#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 0.57 -4.69 0.00 3.41 -1.26 -4.94 113.62 106.71 1om9 n SER 499 Ca 0.00 -0.35 -0.42 0.00 -0.26 0.00 0.00 58.87 57.83 1om9 n SER 499 Cb 0.00 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.06 1om9 n SER 499 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1om9 s ILE 500 N -2.85 3.50 0.18 -1.33 -1.09 -1.26 -5.04 121.20 113.31 1om9 s ILE 500 Ca 0.16 0.91 0.10 0.00 -2.23 0.00 0.00 60.65 59.59 1om9 s ILE 500 Cb 0.18 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.43 1om9 s ILE 500 CO 0.63 0.00 -0.19 -0.89 -1.23 0.00 0.00 174.94 173.26 1om9 s THR 501 N 2.40 2.67 -0.23 2.92 2.01 -1.26 -5.05 115.64 119.10 1om9 s THR 501 Ca 0.67 -1.86 -0.01 0.00 0.31 0.00 0.00 61.69 60.79 1om9 s THR 501 Cb -0.34 -2.29 0.07 0.00 0.01 0.00 0.00 72.50 69.95 1om9 s THR 501 CO 0.28 -0.09 0.02 -0.69 -0.69 0.00 0.00 174.62 173.45 1om9 s VAL 502 N -1.63 0.93 0.53 3.82 1.01 -1.26 -5.13 120.40 118.68 1om9 s VAL 502 Ca 0.22 -0.97 -0.19 0.00 0.00 0.00 0.00 61.98 61.03 1om9 s VAL 502 Cb -0.08 -1.43 -0.06 0.00 0.00 0.00 0.00 36.38 34.81 1om9 s VAL 502 CO 0.12 -0.29 1.11 -2.16 0.00 0.00 0.00 175.10 173.88 1om9 s PRO 503 N 1.65 3.45 0.21 2.72 0.04 -1.26 -4.93 135.00 136.88 1om9 s PRO 503 Ca 0.00 1.54 -0.11 0.00 0.04 0.00 0.00 61.00 62.47 1om9 s PRO 503 Cb -0.18 -2.03 0.15 0.00 0.04 0.00 0.00 34.50 32.48 1om9 s PRO 503 CO -0.11 -0.76 1.87 1.25 0.04 0.00 0.00 177.00 179.29 1om9 h LEU 504 N 1.24 0.85 -1.88 -3.56 5.85 -2.00 -2.15 115.31 113.66 1om9 h LEU 504 Ca -0.50 -0.03 0.18 0.00 0.84 0.00 0.00 57.88 58.37 1om9 h LEU 504 Cb 1.25 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1om9 h LEU 504 CO 0.57 0.62 0.59 1.05 -0.34 0.00 0.00 178.44 180.94 1om9 h GLU 505 N 1.00 0.00 -0.01 1.25 9.09 -2.07 -2.42 114.58 121.41 1om9 h GLU 505 Ca 0.27 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.68 1om9 h GLU 505 Cb -0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.00 1om9 h GLU 505 CO -0.06 0.00 -0.44 -1.13 0.05 0.00 0.00 179.01 177.44 1om9 n SER 506 N -3.80 1.57 -4.71 3.06 3.41 -0.81 -4.91 113.62 107.44 1om9 n SER 506 Ca 0.12 -1.23 -0.39 0.00 -0.26 0.00 0.00 58.87 57.12 1om9 n SER 506 Cb 0.83 0.39 -0.05 0.00 -0.26 0.00 0.00 64.21 65.11 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 -2.54 5.10 -0.25 -1.33 1.01 -0.91 -4.77 121.20 117.50 1om9 s ILE 507 Ca 0.20 1.21 -0.08 0.00 0.00 0.00 0.00 60.65 61.97 1om9 s ILE 507 Cb 0.18 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 1om9 s ILE 507 CO 0.58 0.25 0.11 -0.54 0.00 0.00 0.00 174.94 175.33 1om9 s LYS 508 N 0.96 3.76 0.46 2.79 -0.14 -1.26 -5.07 119.74 121.24 1om9 s LYS 508 Ca 0.31 -0.42 -0.25 0.00 -1.36 0.00 0.00 55.97 54.25 1om9 s LYS 508 Cb -0.16 -3.42 -0.08 0.00 -1.68 0.00 0.00 37.83 32.49 1om9 s LYS 508 CO 0.14 -0.16 1.42 -1.25 -0.76 0.00 0.00 175.35 174.74 1om9 s PRO 509 N 1.58 3.65 0.52 -1.68 0.04 -1.26 -4.53 135.00 133.33 1om9 s PRO 509 Ca 0.06 2.41 -0.07 0.00 0.04 0.00 0.00 61.00 63.44 1om9 s PRO 509 Cb -0.15 -2.63 0.12 0.00 0.04 0.00 0.00 34.50 31.88 1om9 s PRO 509 CO 0.06 -0.85 0.71 -1.13 0.04 0.00 0.00 177.00 175.83 1om9 n SER 510 N -0.25 0.22 -0.93 6.66 3.41 -1.18 -5.00 113.62 116.55 1om9 n SER 510 Ca 0.05 -1.36 0.11 0.00 -0.26 0.00 0.00 58.87 57.42 1om9 n SER 510 Cb 0.42 -0.53 0.26 0.00 -0.26 0.00 0.00 64.21 64.10 1om9 n SER 510 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1om9 n ASN 511 N -3.36 2.79 -4.76 4.04 4.05 -1.26 -4.97 115.26 111.79 1om9 n ASN 511 Ca 0.09 -1.89 -0.40 0.00 0.45 0.00 0.00 54.58 52.83 1om9 n ASN 511 Cb 0.33 -0.18 -0.04 0.00 1.23 0.00 0.00 39.78 41.12 1om9 n ASN 511 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1om9 s ILE 512 N -1.64 3.53 0.70 -1.44 -1.09 -1.26 -4.99 121.20 115.01 1om9 s ILE 512 Ca 0.36 1.52 -0.16 0.00 -2.23 0.00 0.00 60.65 60.14 1om9 s ILE 512 Cb 0.21 -3.95 0.02 0.00 -1.58 0.00 0.00 42.46 37.16 1om9 s ILE 512 CO 0.30 0.34 1.20 -0.76 -1.23 0.00 0.00 174.94 174.78 1om9 s LEU 513 N -1.53 3.37 0.94 2.97 1.02 -1.26 -4.83 118.68 119.37 1om9 s LEU 513 Ca 0.45 2.33 -0.12 0.00 0.02 0.00 0.00 54.13 56.81 1om9 s LEU 513 Cb -0.31 -4.59 0.16 0.00 0.02 0.00 0.00 46.19 41.47 1om9 s LEU 513 CO 0.40 -2.10 1.09 -2.16 0.02 0.00 0.00 176.35 173.59 1om9 s PRO 514 N -3.84 0.86 -0.05 1.29 0.04 -1.26 -4.82 135.00 127.21 1om9 s PRO 514 Ca 0.74 0.84 0.03 0.00 0.04 0.00 0.00 61.00 62.65 1om9 s PRO 514 Cb -0.29 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1om9 s PRO 514 CO 0.43 -2.52 -0.14 0.08 0.04 0.00 0.00 177.00 174.89 1om9 s VAL 515 N -2.86 1.24 -0.17 -0.36 1.01 -0.86 -4.97 120.40 113.44 1om9 s VAL 515 Ca 0.65 -0.58 -0.22 0.00 0.00 0.00 0.00 61.98 61.82 1om9 s VAL 515 Cb -0.19 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1om9 s VAL 515 CO 0.58 0.37 0.68 -0.89 0.00 0.00 0.00 175.10 175.84 1om9 s THR 516 N 0.32 5.00 -0.17 3.92 2.01 -1.26 -1.52 115.64 123.93 1om9 s THR 516 Ca -0.08 1.32 -0.06 0.00 0.31 0.00 0.00 61.69 63.17 1om9 s THR 516 Cb -0.13 -4.00 -0.23 0.00 0.01 0.00 0.00 72.50 68.16 1om9 s THR 516 CO 0.03 0.12 0.16 0.52 -0.69 0.00 0.00 174.62 174.76 1om9 n VAL 517 N 4.53 1.68 -3.73 3.82 0.31 0.19 -4.99 118.33 120.14 1om9 n VAL 517 Ca -0.00 -0.57 -0.13 0.00 -0.01 0.00 0.00 64.34 63.63 1om9 n VAL 517 Cb 0.50 -1.68 -0.10 0.00 -0.91 0.00 0.00 33.84 31.65 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 -2.53 -0.46 -0.36 3.52 5.04 -1.17 -4.93 117.35 116.46 1om9 s TYR 518 Ca -0.27 1.10 0.04 0.00 -2.44 0.00 0.00 57.07 55.50 1om9 s TYR 518 Cb 0.08 0.16 0.16 0.00 0.35 0.00 0.00 41.96 42.71 1om9 s TYR 518 CO 0.70 -0.23 0.44 0.34 -1.34 0.00 0.00 175.55 175.46 1om9 s ASP 519 N 0.35 0.38 0.06 4.32 2.15 -1.25 -0.97 116.67 121.70 1om9 s ASP 519 Ca -0.01 -1.10 -0.22 0.00 0.43 0.00 0.00 52.55 51.65 1om9 s ASP 519 Cb -0.03 1.01 0.05 0.00 -0.30 0.00 0.00 42.92 43.65 1om9 s ASP 519 CO -0.01 -0.26 0.52 -1.58 -0.17 0.00 0.00 175.17 173.67 1om9 s GLN 520 N 1.81 1.06 -1.13 4.34 0.74 -0.09 -4.96 119.66 121.42 1om9 s GLN 520 Ca 0.15 -0.27 -0.02 0.00 0.05 0.00 0.00 55.36 55.28 1om9 s GLN 520 Cb -0.12 0.48 0.01 0.00 1.10 0.00 0.00 33.01 34.48 1om9 s GLN 520 CO -0.11 -0.39 0.10 0.72 -0.55 0.00 0.00 175.29 175.06 1om9 n HIS 521 N 0.33 -1.48 -0.99 1.67 8.25 -1.26 -0.60 115.22 121.14 1om9 n HIS 521 Ca -0.18 0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1om9 n HIS 521 Cb 0.61 -2.91 0.00 0.00 1.12 0.00 0.00 29.99 28.81 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 -0.90 0.49 3.25 -1.41 0.00 -1.26 -4.55 105.19 100.81 1om9 n GLY 522 Ca -0.13 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 2.20 -0.04 1.61 5.36 0.23 -0.44 117.98 124.90 1om9 s PHE 523 Ca 0.00 -0.57 -0.02 0.00 -0.96 0.00 0.00 56.93 55.38 1om9 s PHE 523 Cb 0.00 -1.44 0.03 0.00 -0.34 0.00 0.00 43.02 41.27 1om9 s PHE 523 CO 0.00 -0.15 0.10 0.50 -1.46 0.00 0.00 175.22 174.21 1om9 s ARG 524 N -0.27 0.05 -0.07 10.12 3.52 -0.75 -0.91 118.95 130.64 1om9 s ARG 524 Ca 0.01 0.27 0.02 0.00 -0.13 0.00 0.00 55.73 55.90 1om9 s ARG 524 Cb -0.12 -0.17 -0.03 0.00 -1.56 0.00 0.00 34.95 33.07 1om9 s ARG 524 CO 0.02 -0.15 -0.11 0.42 -0.81 0.00 0.00 175.30 174.67 1om9 s ILE 525 N 0.98 3.32 0.05 4.11 -1.09 -0.14 -1.28 121.20 127.15 1om9 s ILE 525 Ca -0.08 -0.61 0.04 0.00 -2.23 0.00 0.00 60.65 57.77 1om9 s ILE 525 Cb -0.10 -2.34 -0.02 0.00 -1.58 0.00 0.00 42.46 38.41 1om9 s ILE 525 CO -0.04 0.58 -0.11 -0.76 -1.23 0.00 0.00 174.94 173.38 1om9 s LEU 526 N -0.55 2.22 -0.17 2.97 1.43 -0.06 -0.64 118.68 123.87 1om9 s LEU 526 Ca 0.08 -0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 52.61 1om9 s LEU 526 Cb -0.12 -0.38 -0.04 0.00 0.03 0.00 0.00 46.19 45.69 1om9 s LEU 526 CO 0.02 -0.08 0.03 -0.36 0.23 0.00 0.00 176.35 176.18 1om9 s PHE 527 N -1.10 3.19 -0.10 0.29 2.99 -0.58 -1.06 117.98 121.61 1om9 s PHE 527 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 56.93 56.87 1om9 s PHE 527 Cb -0.09 -2.03 -0.02 0.00 0.00 0.00 0.00 43.02 40.87 1om9 s PHE 527 CO 0.01 0.12 -0.10 -1.01 -0.00 0.00 0.00 175.22 174.24 1om9 s HIS 528 N 0.31 2.87 -0.12 0.36 3.76 -0.24 -2.02 115.29 120.22 1om9 s HIS 528 Ca 0.01 -0.26 -0.10 0.00 -0.15 0.00 0.00 55.06 54.56 1om9 s HIS 528 Cb -0.13 -1.78 -0.05 0.00 1.11 0.00 0.00 32.58 31.74 1om9 s HIS 528 CO 0.01 0.08 0.22 -0.06 -0.85 0.00 0.00 174.74 174.14 1om9 s PHE 529 N -0.25 3.57 0.03 1.40 0.40 -1.26 -0.47 117.98 121.40 1om9 s PHE 529 Ca 0.03 0.60 0.02 0.00 -0.60 0.00 0.00 56.93 56.98 1om9 s PHE 529 Cb -0.13 -2.12 -0.02 0.00 0.51 0.00 0.00 43.02 41.26 1om9 s PHE 529 CO 0.03 0.55 -0.07 0.00 0.70 0.00 0.00 175.22 176.42 1om9 s ALA 530 N -0.52 0.53 0.18 5.36 0.00 -0.35 -3.11 121.76 123.85 1om9 s ALA 530 Ca 0.16 -0.68 -0.32 0.00 0.00 0.00 0.00 51.96 51.12 1om9 s ALA 530 Cb -0.13 0.03 -0.16 0.00 0.00 0.00 0.00 23.12 22.86 1om9 s ALA 530 CO 0.05 -0.01 1.07 -2.13 0.00 0.00 0.00 175.76 174.74 1om9 n ARG 531 N 1.69 1.00 -1.68 0.00 0.63 -1.26 -2.12 116.66 114.91 1om9 n ARG 531 Ca -0.21 0.35 -0.42 0.00 -0.92 0.00 0.00 57.85 56.65 1om9 n ARG 531 Cb 0.55 -1.78 -0.03 0.00 0.45 0.00 0.00 32.46 31.65 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 -0.19 6.44 0.23 6.15 -1.08 -1.26 -4.73 116.67 122.24 1om9 s ASP 532 Ca 0.71 2.64 0.09 0.00 -0.52 0.00 0.00 52.55 55.47 1om9 s ASP 532 Cb -0.86 -2.53 0.22 0.00 -1.46 0.00 0.00 42.92 38.28 1om9 s ASP 532 CO 0.54 -1.07 1.53 1.55 0.52 0.00 0.00 175.17 178.24 1om9 h PRO 533 N 10.65 0.01 -6.22 4.34 0.13 -1.92 -3.42 132.00 135.57 1om9 h PRO 533 Ca -0.49 -0.01 -0.56 0.00 -0.87 0.00 0.00 66.00 64.07 1om9 h PRO 533 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 1om9 h PRO 533 CO 0.94 0.72 1.02 -0.51 -0.23 0.00 0.00 178.00 179.94 1om9 s LEU 534 N -7.42 4.25 0.94 1.56 1.43 -1.26 -5.03 118.68 113.16 1om9 s LEU 534 Ca -0.01 2.01 -0.11 0.00 -1.03 0.00 0.00 54.13 54.99 1om9 s LEU 534 Cb 0.12 -3.53 0.10 0.00 0.03 0.00 0.00 46.19 42.90 1om9 s LEU 534 CO 0.78 -0.88 0.77 -2.65 0.23 0.00 0.00 176.35 174.60 1om9 n PRO 535 N 6.97 -0.44 -0.93 1.29 -0.02 -1.26 -4.00 135.00 136.62 1om9 n PRO 535 Ca 0.16 -0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1om9 n PRO 535 Cb 0.44 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 0.90 0.54 2.64 -1.23 0.00 -1.26 -4.98 105.19 101.80 1om9 n GLY 536 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.07 0.63 0.00 1.61 1.81 -1.26 -4.98 118.95 116.69 1om9 s ARG 537 Ca 0.00 -1.11 0.25 0.00 -1.72 0.00 0.00 55.73 53.15 1om9 s ARG 537 Cb 0.00 -0.95 1.35 0.00 -0.45 0.00 0.00 34.95 34.90 1om9 s ARG 537 CO 0.00 -1.22 1.89 -1.13 -0.68 0.00 0.00 175.30 174.16 1om9 n SER 538 N 4.05 0.34 -1.00 0.23 3.41 -1.26 -3.75 113.62 115.64 1om9 n SER 538 Ca 0.13 -1.31 0.08 0.00 -0.26 0.00 0.00 58.87 57.51 1om9 n SER 538 Cb 0.43 -0.01 0.24 0.00 -0.26 0.00 0.00 64.21 64.61 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 -0.64 3.71 -4.35 4.04 5.75 -1.26 -4.26 116.55 119.53 1om9 n ASP 539 Ca 0.18 -2.36 -0.35 0.00 -0.01 0.00 0.00 54.79 52.26 1om9 n ASP 539 Cb 0.14 -0.41 -0.14 0.00 -1.03 0.00 0.00 41.12 39.68 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 -1.65 3.54 -0.03 2.12 1.01 -1.25 -0.84 120.40 123.30 1om9 s VAL 540 Ca 0.37 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.73 1om9 s VAL 540 Cb 0.24 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 1om9 s VAL 540 CO 0.18 0.43 0.49 -0.22 0.00 0.00 0.00 175.10 175.98 1om9 s LEU 541 N 1.29 4.40 -0.20 3.92 2.96 -0.08 -4.01 118.68 126.96 1om9 s LEU 541 Ca 0.04 1.00 -0.11 0.00 -0.22 0.00 0.00 54.13 54.83 1om9 s LEU 541 Cb -0.14 -2.74 -0.05 0.00 0.50 0.00 0.00 46.19 43.76 1om9 s LEU 541 CO -0.01 0.16 0.19 -0.69 -1.32 0.00 0.00 176.35 174.68 1om9 s VAL 542 N -0.33 5.37 -0.27 1.68 1.01 -0.90 -1.15 120.40 125.80 1om9 s VAL 542 Ca 0.27 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.57 1om9 s VAL 542 Cb -0.17 -3.53 0.06 0.00 0.00 0.00 0.00 36.38 32.75 1om9 s VAL 542 CO 0.14 0.40 -0.08 -0.69 0.00 0.00 0.00 175.10 174.86 1om9 s VAL 543 N 0.59 2.22 -0.47 2.92 1.01 0.10 -1.22 120.40 125.56 1om9 s VAL 543 Ca 0.10 -1.72 -0.28 0.00 0.00 0.00 0.00 61.98 60.09 1om9 s VAL 543 Cb -0.12 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 33.93 1om9 s VAL 543 CO 0.01 -0.11 1.07 -0.69 0.00 0.00 0.00 175.10 175.39 1om9 s VAL 544 N 1.08 4.29 -0.22 2.92 1.01 0.38 -0.99 120.40 128.88 1om9 s VAL 544 Ca -0.06 1.09 -0.23 0.00 0.00 0.00 0.00 61.98 62.78 1om9 s VAL 544 Cb -0.20 -4.55 -0.02 0.00 0.00 0.00 0.00 36.38 31.62 1om9 s VAL 544 CO -0.05 -0.95 0.73 -0.69 0.00 0.00 0.00 175.10 174.14 1om9 s VAL 545 N 4.23 4.93 -0.07 2.92 1.01 -0.07 -1.08 120.40 132.27 1om9 s VAL 545 Ca 0.45 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.79 1om9 s VAL 545 Cb -0.08 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1om9 s VAL 545 CO 0.30 0.02 -0.05 -0.44 0.00 0.00 0.00 175.10 174.93 1om9 s SER 546 N 1.30 4.79 -0.15 3.32 0.01 -0.22 -1.26 113.70 121.48 1om9 s SER 546 Ca 0.32 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.59 1om9 s SER 546 Cb -0.16 -1.25 0.03 0.00 0.21 0.00 0.00 66.02 64.85 1om9 s SER 546 CO 0.09 0.36 -0.11 -0.04 0.41 0.00 0.00 173.24 173.96 1om9 s MET 547 N -0.81 1.95 0.04 12.44 1.00 -0.48 -0.88 119.30 132.56 1om9 s MET 547 Ca 0.12 -0.54 0.07 0.00 0.00 0.00 0.00 55.69 55.35 1om9 s MET 547 Cb -0.11 -2.03 -0.03 0.00 0.00 0.00 0.00 34.83 32.66 1om9 s MET 547 CO 0.02 -0.31 -0.21 -0.51 0.00 0.00 0.00 175.02 174.01 1om9 s LEU 548 N 1.54 2.16 -0.03 -0.03 1.43 -0.40 -1.71 118.68 121.64 1om9 s LEU 548 Ca 0.03 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 1om9 s LEU 548 Cb -0.14 -0.99 -0.00 0.00 0.03 0.00 0.00 46.19 45.09 1om9 s LEU 548 CO -0.09 0.17 -0.13 -0.55 0.23 0.00 0.00 176.35 175.98 1om9 s SER 549 N -1.16 1.64 -0.15 2.29 0.15 -1.26 -1.81 113.70 113.40 1om9 s SER 549 Ca 0.08 -0.26 0.15 0.00 0.70 0.00 0.00 55.95 56.61 1om9 s SER 549 Cb -0.09 -0.41 0.34 0.00 -1.71 0.00 0.00 66.02 64.15 1om9 s SER 549 CO 0.02 0.12 1.17 0.35 1.20 0.00 0.00 173.24 176.09 1om9 n THR 550 N 3.15 1.78 -1.79 6.45 -2.24 0.41 -4.79 114.28 117.26 1om9 n THR 550 Ca -0.18 -2.47 -0.38 0.00 -2.27 0.00 0.00 64.05 58.75 1om9 n THR 550 Cb 0.54 -0.11 0.05 0.00 -2.10 0.00 0.00 70.33 68.70 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 -2.66 2.71 0.16 6.98 0.00 -1.21 -4.68 121.76 123.06 1om9 s ALA 551 Ca 0.33 1.29 0.20 0.00 0.00 0.00 0.00 51.96 53.77 1om9 s ALA 551 Cb 0.31 -3.56 0.72 0.00 0.00 0.00 0.00 23.12 20.60 1om9 s ALA 551 CO -0.03 -1.40 1.75 -1.00 0.00 0.00 0.00 175.76 175.08 1om9 h PRO 552 N 1.24 0.00 -6.20 0.00 0.13 -1.92 0.51 132.00 125.76 1om9 h PRO 552 Ca -0.51 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.13 1om9 h PRO 552 Cb 1.31 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 1om9 h PRO 552 CO 0.56 0.34 -0.49 -0.65 -0.23 0.00 0.00 178.00 177.54 1om9 s GLN 553 N -3.62 3.09 0.72 0.86 -0.21 -1.26 -4.27 119.66 114.97 1om9 s GLN 553 Ca 0.00 -0.97 -0.12 0.00 0.02 0.00 0.00 55.36 54.29 1om9 s GLN 553 Cb 0.11 -2.67 0.03 0.00 1.00 0.00 0.00 33.01 31.47 1om9 s GLN 553 CO 0.68 0.38 1.09 -1.25 -2.12 0.00 0.00 175.29 174.07 1om9 s PRO 554 N -3.91 2.58 -0.14 2.91 0.04 -1.26 -4.15 135.00 131.07 1om9 s PRO 554 Ca 0.34 1.17 0.02 0.00 0.04 0.00 0.00 61.00 62.58 1om9 s PRO 554 Cb -0.08 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1om9 s PRO 554 CO 0.27 -1.40 -0.22 0.42 0.04 0.00 0.00 177.00 176.11 1om9 s ILE 555 N -2.79 2.08 0.41 0.56 1.01 -0.50 -4.19 121.20 117.79 1om9 s ILE 555 Ca 0.62 -0.97 0.03 0.00 0.00 0.00 0.00 60.65 60.33 1om9 s ILE 555 Cb -0.17 -1.83 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 1om9 s ILE 555 CO 0.52 0.55 0.09 -0.13 0.00 0.00 0.00 174.94 175.97 1om9 s ARG 556 N 0.84 1.94 -1.39 2.79 0.52 0.85 -0.24 118.95 124.26 1om9 s ARG 556 Ca -0.06 -2.18 -0.04 0.00 -0.52 0.00 0.00 55.73 52.93 1om9 s ARG 556 Cb -0.15 -0.83 0.02 0.00 0.52 0.00 0.00 34.95 34.51 1om9 s ARG 556 CO -0.03 -0.41 0.70 0.09 0.02 0.00 0.00 175.30 175.67 1om9 n ASN 557 N -1.21 -1.79 -4.64 0.23 3.02 -1.14 -0.08 115.26 109.66 1om9 n ASN 557 Ca -0.08 -0.86 -0.42 0.00 -0.03 0.00 0.00 54.58 53.19 1om9 n ASN 557 Cb 0.66 -3.75 -0.03 0.00 -0.61 0.00 0.00 39.78 36.04 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 -3.65 4.71 -0.09 2.41 1.01 -0.80 -4.06 121.20 120.74 1om9 s ILE 558 Ca 0.16 1.61 0.02 0.00 0.00 0.00 0.00 60.65 62.44 1om9 s ILE 558 Cb -0.08 -4.24 0.02 0.00 0.01 0.00 0.00 42.46 38.16 1om9 s ILE 558 CO 0.84 -0.24 -0.12 -0.69 0.00 0.00 0.00 174.94 174.72 1om9 s VAL 559 N 3.14 1.23 -0.16 2.92 1.01 -0.57 -4.83 120.40 123.14 1om9 s VAL 559 Ca 0.39 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 1om9 s VAL 559 Cb -0.14 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 1om9 s VAL 559 CO 0.10 0.38 -0.13 0.12 0.00 0.00 0.00 175.10 175.58 1om9 s PHE 560 N 0.93 2.82 0.27 5.22 5.36 -1.26 -1.27 117.98 130.05 1om9 s PHE 560 Ca -0.09 -0.87 0.10 0.00 -0.96 0.00 0.00 56.93 55.10 1om9 s PHE 560 Cb -0.15 -1.91 -0.05 0.00 -0.34 0.00 0.00 43.02 40.57 1om9 s PHE 560 CO 0.00 -0.38 -0.15 -0.65 -1.46 0.00 0.00 175.22 172.58 1om9 s GLN 561 N 0.74 1.60 0.06 10.12 -0.21 -0.53 -4.99 119.66 126.46 1om9 s GLN 561 Ca -0.06 -1.76 -0.15 0.00 0.02 0.00 0.00 55.36 53.42 1om9 s GLN 561 Cb -0.15 -1.52 0.02 0.00 1.00 0.00 0.00 33.01 32.37 1om9 s GLN 561 CO 0.01 0.22 0.34 -1.12 -2.12 0.00 0.00 175.29 172.63 1om9 s SER 562 N -3.47 -0.16 0.12 5.90 0.01 -1.26 -2.20 113.70 112.64 1om9 s SER 562 Ca 0.28 -0.21 0.04 0.00 1.31 0.00 0.00 55.95 57.37 1om9 s SER 562 Cb -0.02 0.40 -0.04 0.00 0.21 0.00 0.00 66.02 66.57 1om9 s SER 562 CO 0.13 -0.69 -0.10 0.00 0.41 0.00 0.00 173.24 173.00 1om9 s ALA 563 N -2.90 1.24 0.09 1.44 0.00 -0.41 -4.98 121.76 116.24 1om9 s ALA 563 Ca -0.03 -1.33 -0.09 0.00 0.00 0.00 0.00 51.96 50.51 1om9 s ALA 563 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1om9 s ALA 563 CO -0.06 -0.08 0.20 0.54 0.00 0.00 0.00 175.76 176.36 1om9 s VAL 564 N -2.94 0.14 0.15 0.00 0.11 -1.26 -1.60 120.40 115.00 1om9 s VAL 564 Ca 0.11 -1.13 -0.34 0.00 -2.93 0.00 0.00 61.98 57.69 1om9 s VAL 564 Cb 0.00 -1.31 -0.15 0.00 -1.53 0.00 0.00 36.38 33.40 1om9 s VAL 564 CO -0.00 -0.63 1.39 -2.65 -3.33 0.00 0.00 175.10 169.88 1om9 n PRO 565 N -0.03 1.61 -0.13 1.54 -0.02 -1.26 -4.87 135.00 131.84 1om9 n PRO 565 Ca -0.15 0.58 0.06 0.00 -2.02 0.00 0.00 63.50 61.97 1om9 n PRO 565 Cb 0.62 -2.23 0.12 0.00 -0.02 0.00 0.00 33.50 31.99 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 2.53 -0.03 0.04 -0.52 5.02 -1.26 0.58 118.16 124.52 1om9 n LYS 566 Ca 0.16 0.55 0.05 0.00 -2.02 0.00 0.00 58.31 57.05 1om9 n LYS 566 Cb 0.25 -0.89 0.24 0.00 -0.02 0.00 0.00 35.03 34.62 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 -4.29 1.40 -4.31 -0.18 0.31 -1.26 -4.73 118.33 105.28 1om9 n VAL 567 Ca 0.09 0.42 -0.16 0.00 -0.01 0.00 0.00 64.34 64.68 1om9 n VAL 567 Cb 0.31 -1.33 -0.10 0.00 -0.91 0.00 0.00 33.84 31.80 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 -3.12 1.28 0.32 5.55 0.00 0.20 -4.60 119.30 118.93 1om9 s MET 568 Ca 0.02 -1.64 0.07 0.00 0.00 0.00 0.00 55.69 54.14 1om9 s MET 568 Cb 0.05 -0.51 -0.06 0.00 0.00 0.00 0.00 34.83 34.31 1om9 s MET 568 CO 0.16 -0.11 -0.05 -1.59 0.00 0.00 0.00 175.02 173.43 1om9 s LYS 569 N -3.88 1.70 -0.08 3.16 -2.85 -0.64 -4.67 119.74 112.47 1om9 s LYS 569 Ca 0.28 -1.89 -0.06 0.00 -1.00 0.00 0.00 55.97 53.30 1om9 s LYS 569 Cb 0.06 -1.34 0.03 0.00 -2.06 0.00 0.00 37.83 34.51 1om9 s LYS 569 CO 0.08 0.03 0.21 0.54 0.10 0.00 0.00 175.35 176.30 1om9 s VAL 570 N -2.89 -0.01 0.03 1.79 0.11 -1.26 -1.43 120.40 116.74 1om9 s VAL 570 Ca 0.32 0.05 0.06 0.00 -2.93 0.00 0.00 61.98 59.48 1om9 s VAL 570 Cb 0.05 -0.30 -0.02 0.00 -1.53 0.00 0.00 36.38 34.57 1om9 s VAL 570 CO 0.14 0.02 -0.17 -0.75 -3.33 0.00 0.00 175.10 171.01 1om9 s LYS 571 N 0.49 1.21 -0.24 1.54 2.20 -0.37 -4.98 119.74 119.58 1om9 s LYS 571 Ca -0.03 -0.81 -0.00 0.00 -0.36 0.00 0.00 55.97 54.77 1om9 s LYS 571 Cb -0.05 -1.26 0.04 0.00 -1.51 0.00 0.00 37.83 35.05 1om9 s LYS 571 CO -0.02 0.32 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.69 1om9 s LEU 572 N -1.01 3.13 0.71 5.43 1.02 -1.26 -0.84 118.68 125.85 1om9 s LEU 572 Ca 0.05 -0.99 -0.14 0.00 0.02 0.00 0.00 54.13 53.07 1om9 s LEU 572 Cb -0.08 -1.61 0.03 0.00 0.02 0.00 0.00 46.19 44.55 1om9 s LEU 572 CO 0.01 -0.13 1.13 -1.10 0.02 0.00 0.00 176.35 176.28 1om9 s GLN 573 N 1.26 2.45 0.62 1.70 -0.21 -0.30 -4.95 119.66 120.23 1om9 s GLN 573 Ca -0.02 1.46 -0.18 0.00 0.02 0.00 0.00 55.36 56.64 1om9 s GLN 573 Cb -0.17 -1.90 -0.03 0.00 1.00 0.00 0.00 33.01 31.91 1om9 s GLN 573 CO -0.06 -1.53 1.16 -2.30 -2.12 0.00 0.00 175.29 170.44 1om9 n PRO 574 N -2.76 1.06 -2.09 2.91 -0.02 -1.26 -4.45 135.00 128.39 1om9 n PRO 574 Ca 0.11 0.41 -0.32 0.00 -2.02 0.00 0.00 63.50 61.68 1om9 n PRO 574 Cb 0.52 -2.38 -0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 -3.08 3.60 0.61 0.52 0.04 -1.26 -4.51 135.00 130.93 1om9 s PRO 575 Ca 0.79 0.96 0.29 0.00 0.04 0.00 0.00 61.00 63.08 1om9 s PRO 575 Cb -0.40 -2.08 1.54 0.00 0.04 0.00 0.00 34.50 33.60 1om9 s PRO 575 CO 0.44 -0.56 1.93 0.66 0.04 0.00 0.00 177.00 179.50 1om9 h SER 576 N 0.32 0.00 -0.61 6.66 4.64 -0.66 -3.46 113.55 120.44 1om9 h SER 576 Ca -0.46 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.94 1om9 h SER 576 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1om9 h SER 576 CO 0.60 0.00 0.20 0.61 -0.87 0.00 0.00 176.83 177.37 1om9 n GLY 577 N -1.40 0.55 0.00 -0.77 0.00 -1.26 -4.95 105.19 97.36 1om9 n GLY 577 Ca 0.04 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.21 0.03 -4.21 2.61 -2.24 -1.26 -4.95 114.28 104.05 1om9 n THR 578 Ca 0.01 -0.03 -0.12 0.00 -2.27 0.00 0.00 64.05 61.63 1om9 n THR 578 Cb 0.13 1.18 -0.10 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.03 1.11 0.01 -0.78 -1.05 -1.26 -1.90 118.70 114.80 1om9 s GLU 579 Ca 0.00 -1.56 0.01 0.00 -0.15 0.00 0.00 54.97 53.27 1om9 s GLU 579 Cb 0.00 0.03 -0.01 0.00 -0.44 0.00 0.00 34.13 33.71 1om9 s GLU 579 CO 0.00 -0.26 -0.04 -0.51 0.95 0.00 0.00 175.26 175.40 1om9 s LEU 580 N -3.15 2.12 0.72 1.83 1.43 0.66 -4.93 118.68 117.37 1om9 s LEU 580 Ca 0.29 -0.27 -0.13 0.00 -1.03 0.00 0.00 54.13 52.99 1om9 s LEU 580 Cb 0.07 -0.09 0.03 0.00 0.03 0.00 0.00 46.19 46.23 1om9 s LEU 580 CO 0.06 -0.10 1.12 -2.16 0.23 0.00 0.00 176.35 175.50 1om9 s PRO 581 N -0.74 2.41 0.83 1.29 0.04 -1.26 -1.41 135.00 136.14 1om9 s PRO 581 Ca -0.05 1.38 -0.14 0.00 0.04 0.00 0.00 61.00 62.22 1om9 s PRO 581 Cb -0.05 -1.90 0.04 0.00 0.04 0.00 0.00 34.50 32.63 1om9 s PRO 581 CO -0.00 -1.56 0.81 0.00 0.04 0.00 0.00 177.00 176.29 1om9 n ALA 582 N -2.95 -1.14 -1.78 8.56 0.00 -1.26 -4.64 120.51 117.30 1om9 n ALA 582 Ca 0.10 -0.39 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 1om9 n ALA 582 Cb 0.52 -2.02 -0.03 0.00 0.00 0.00 0.00 19.45 17.92 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 -2.16 2.92 -0.11 0.00 5.36 0.17 -4.94 117.98 119.22 1om9 s PHE 583 Ca 0.67 0.47 -0.02 0.00 -0.96 0.00 0.00 56.93 57.09 1om9 s PHE 583 Cb -0.28 -4.08 0.04 0.00 -0.34 0.00 0.00 43.02 38.35 1om9 s PHE 583 CO 0.57 -4.01 0.00 1.21 -1.46 0.00 0.00 175.22 171.54 1om9 s ASN 584 N 1.06 2.05 0.58 6.13 3.04 -1.26 -4.95 114.94 121.59 1om9 s ASN 584 Ca 0.72 -0.33 0.29 0.00 0.04 0.00 0.00 52.86 53.57 1om9 s ASN 584 Cb -0.48 -0.54 1.74 0.00 -1.54 0.00 0.00 41.25 40.43 1om9 s ASN 584 CO 0.34 -0.22 2.22 -0.65 -3.04 0.00 0.00 177.10 175.76 1om9 h PRO 585 N 8.28 0.00 0.16 0.43 0.11 -2.00 -2.67 132.00 136.31 1om9 h PRO 585 Ca -0.20 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.61 1om9 h PRO 585 Cb 1.12 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.24 1om9 h PRO 585 CO 0.30 0.02 -1.37 0.82 -0.21 0.00 0.00 178.00 177.56 1om9 h ILE 586 N 0.00 1.37 -2.65 4.15 2.04 -2.02 -3.47 117.51 116.93 1om9 h ILE 586 Ca -0.00 -2.92 -0.46 0.00 1.00 0.00 0.00 64.86 62.48 1om9 h ILE 586 Cb 0.05 2.93 0.01 0.00 -0.74 0.00 0.00 36.82 39.08 1om9 h ILE 586 CO 0.00 0.86 -0.18 0.68 0.00 0.00 0.00 178.15 179.51 1om9 s VAL 587 N -2.63 4.62 0.44 1.67 -7.23 -1.01 -5.08 120.40 111.18 1om9 s VAL 587 Ca -0.06 -0.56 -0.25 0.00 -1.81 0.00 0.00 61.98 59.30 1om9 s VAL 587 Cb 0.06 -3.68 -0.08 0.00 0.56 0.00 0.00 36.38 33.24 1om9 s VAL 587 CO 0.89 -0.43 1.29 -1.38 -0.31 0.00 0.00 175.10 175.17 1om9 s HIS 588 N -2.37 2.71 0.44 2.82 -3.43 -1.26 -4.80 115.29 109.40 1om9 s HIS 588 Ca 0.43 1.42 -0.24 0.00 -0.80 0.00 0.00 55.06 55.87 1om9 s HIS 588 Cb -0.10 -3.65 -0.08 0.00 -1.43 0.00 0.00 32.58 27.33 1om9 s HIS 588 CO 0.36 -2.16 1.26 -1.25 -2.00 0.00 0.00 174.74 170.94 1om9 s PRO 589 N -2.46 3.80 0.16 -0.38 0.04 -1.26 -5.01 135.00 129.89 1om9 s PRO 589 Ca 0.61 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.71 1om9 s PRO 589 Cb -0.37 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.55 1om9 s PRO 589 CO 0.46 -0.59 0.30 -1.12 0.04 0.00 0.00 177.00 176.09 1om9 s SER 590 N -0.97 6.34 0.02 6.66 0.01 -1.26 -5.11 113.70 119.39 1om9 s SER 590 Ca 0.61 0.19 0.04 0.00 1.31 0.00 0.00 55.95 58.10 1om9 s SER 590 Cb -0.35 -1.92 -0.02 0.00 0.21 0.00 0.00 66.02 63.94 1om9 s SER 590 CO 0.44 0.04 -0.12 0.00 0.41 0.00 0.00 173.24 174.00 1om9 s ALA 591 N -1.77 1.02 -0.12 1.44 0.00 -1.26 -4.18 121.76 116.89 1om9 s ALA 591 Ca 0.35 -0.68 -0.13 0.00 0.00 0.00 0.00 51.96 51.50 1om9 s ALA 591 Cb -0.11 -0.18 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 1om9 s ALA 591 CO 0.29 0.20 0.30 0.42 0.00 0.00 0.00 175.76 176.97 1om9 s ILE 592 N -0.65 5.27 0.04 0.00 1.01 -0.69 -4.96 121.20 121.23 1om9 s ILE 592 Ca 0.02 0.57 0.05 0.00 0.00 0.00 0.00 60.65 61.29 1om9 s ILE 592 Cb -0.07 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 1om9 s ILE 592 CO 0.01 0.46 -0.11 -0.89 0.00 0.00 0.00 174.94 174.40 1om9 s THR 593 N -0.06 3.30 -0.13 2.92 2.01 -1.26 -1.39 115.64 121.04 1om9 s THR 593 Ca 0.18 -1.04 -0.05 0.00 0.31 0.00 0.00 61.69 61.09 1om9 s THR 593 Cb -0.14 -2.45 0.06 0.00 0.01 0.00 0.00 72.50 69.98 1om9 s THR 593 CO 0.06 0.30 0.28 -1.58 -0.69 0.00 0.00 174.62 172.99 1om9 s GLN 594 N -1.64 0.19 0.00 4.92 0.74 -0.39 0.14 119.66 123.63 1om9 s GLN 594 Ca 0.17 0.69 -0.21 0.00 0.05 0.00 0.00 55.36 56.07 1om9 s GLN 594 Cb -0.11 -0.04 -0.05 0.00 1.10 0.00 0.00 33.01 33.91 1om9 s GLN 594 CO 0.08 -0.23 0.61 0.08 -0.55 0.00 0.00 175.29 175.28 1om9 s VAL 595 N 1.96 4.89 -0.09 1.34 1.01 -1.26 -0.89 120.40 127.36 1om9 s VAL 595 Ca -0.03 1.27 0.01 0.00 0.00 0.00 0.00 61.98 63.22 1om9 s VAL 595 Cb -0.11 -3.94 0.02 0.00 0.00 0.00 0.00 36.38 32.35 1om9 s VAL 595 CO -0.09 0.42 -0.10 -0.22 0.00 0.00 0.00 175.10 175.11 1om9 s LEU 596 N -0.22 1.40 -0.03 3.92 0.20 -0.16 -1.15 118.68 122.65 1om9 s LEU 596 Ca 0.31 -0.31 0.01 0.00 0.69 0.00 0.00 54.13 54.84 1om9 s LEU 596 Cb -0.18 -0.84 -0.03 0.00 -0.43 0.00 0.00 46.19 44.70 1om9 s LEU 596 CO 0.18 -0.05 -0.01 -0.76 -0.29 0.00 0.00 176.35 175.41 1om9 s LEU 597 N 1.25 3.46 -0.11 -0.68 1.43 -0.02 0.02 118.68 124.03 1om9 s LEU 597 Ca -0.03 0.01 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1om9 s LEU 597 Cb -0.14 -1.92 0.05 0.00 0.03 0.00 0.00 46.19 44.21 1om9 s LEU 597 CO -0.03 0.31 0.08 -0.22 0.23 0.00 0.00 176.35 176.71 1om9 s LEU 598 N -1.31 0.24 -0.30 1.79 2.96 -0.30 -1.24 118.68 120.52 1om9 s LEU 598 Ca 0.17 -0.26 -0.10 0.00 -0.22 0.00 0.00 54.13 53.72 1om9 s LEU 598 Cb -0.11 -0.19 -0.02 0.00 0.50 0.00 0.00 46.19 46.37 1om9 s LEU 598 CO 0.07 -0.30 0.16 0.00 -1.32 0.00 0.00 176.35 174.96 1om9 s ALA 599 N 2.16 3.35 -0.56 5.97 0.00 -0.51 -0.91 121.76 131.26 1om9 s ALA 599 Ca 0.04 -1.28 0.07 0.00 0.00 0.00 0.00 51.96 50.78 1om9 s ALA 599 Cb -0.14 -2.40 0.26 0.00 0.00 0.00 0.00 23.12 20.83 1om9 s ALA 599 CO -0.06 -0.77 0.69 -1.71 0.00 0.00 0.00 175.76 173.91 1om9 n ASN 600 N 5.01 2.69 0.01 0.00 5.15 -0.02 -1.63 115.26 126.47 1om9 n ASN 600 Ca -0.14 -3.23 -0.11 0.00 -0.60 0.00 0.00 54.58 50.50 1om9 n ASN 600 Cb 0.50 -0.66 -0.05 0.00 -0.53 0.00 0.00 39.78 39.05 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 4.06 -0.42 0.00 1.20 0.11 -1.81 -2.52 132.00 132.62 1om9 h PRO 601 Ca 0.16 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1om9 h PRO 601 Cb 0.72 0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1om9 h PRO 601 CO 0.72 -0.28 0.00 1.96 -0.21 0.00 0.00 178.00 180.19 1om9 h GLN 602 N -0.43 0.00 -3.16 1.05 4.20 -1.93 -3.47 115.11 111.36 1om9 h GLN 602 Ca 0.09 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.58 1om9 h GLN 602 Cb 0.57 0.00 0.06 0.00 0.30 0.00 0.00 27.48 28.40 1om9 h GLN 602 CO -0.35 0.00 -0.35 1.63 -0.67 0.00 0.00 178.83 179.09 1om9 n LYS 603 N -2.69 -3.54 -2.42 1.46 5.02 -0.95 -5.04 118.16 109.99 1om9 n LYS 603 Ca -0.00 0.48 -0.23 0.00 -2.02 0.00 0.00 58.31 56.53 1om9 n LYS 603 Cb 0.18 -4.43 0.06 0.00 -0.02 0.00 0.00 35.03 30.82 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 -5.45 2.32 0.02 1.97 0.41 -1.26 -4.81 118.70 111.91 1om9 s GLU 604 Ca 0.24 -0.55 -0.34 0.00 -0.41 0.00 0.00 54.97 53.92 1om9 s GLU 604 Cb -0.11 -2.33 -0.12 0.00 -1.78 0.00 0.00 34.13 29.79 1om9 s GLU 604 CO 0.30 -1.01 1.76 1.17 -0.49 0.00 0.00 175.26 176.99 1om9 n LYS 605 N -2.65 2.21 -2.58 1.61 4.81 -1.26 -4.79 118.16 115.52 1om9 n LYS 605 Ca 0.08 0.80 -0.42 0.00 -0.87 0.00 0.00 58.31 57.91 1om9 n LYS 605 Cb 0.60 -2.62 -0.03 0.00 0.02 0.00 0.00 35.03 33.00 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 2.74 4.49 0.15 3.15 1.01 -1.26 -5.03 120.40 125.65 1om9 s VAL 606 Ca 0.87 1.78 0.06 0.00 0.00 0.00 0.00 61.98 64.69 1om9 s VAL 606 Cb -0.67 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 31.52 1om9 s VAL 606 CO 0.45 0.12 -0.12 -0.13 0.00 0.00 0.00 175.10 175.42 1om9 s ARG 607 N 1.15 1.10 -0.17 2.72 0.52 -1.26 -4.77 118.95 118.25 1om9 s ARG 607 Ca 0.55 -1.41 -0.08 0.00 -0.52 0.00 0.00 55.73 54.27 1om9 s ARG 607 Cb -0.25 -0.81 0.06 0.00 0.52 0.00 0.00 34.95 34.47 1om9 s ARG 607 CO 0.28 0.13 0.39 -1.17 0.02 0.00 0.00 175.30 174.95 1om9 s LEU 608 N -2.96 -0.15 0.11 2.53 0.20 -0.89 -4.24 118.68 113.27 1om9 s LEU 608 Ca 0.15 0.87 -0.01 0.00 0.69 0.00 0.00 54.13 55.83 1om9 s LEU 608 Cb -0.01 1.27 -0.04 0.00 -0.43 0.00 0.00 46.19 46.98 1om9 s LEU 608 CO 0.03 -0.20 0.28 -0.13 -0.29 0.00 0.00 176.35 176.03 1om9 s ARG 609 N 1.63 3.49 0.04 1.98 0.52 -0.63 -0.76 118.95 125.21 1om9 s ARG 609 Ca -0.08 -0.38 -0.03 0.00 -0.52 0.00 0.00 55.73 54.73 1om9 s ARG 609 Cb -0.09 -2.97 -0.02 0.00 0.52 0.00 0.00 34.95 32.39 1om9 s ARG 609 CO -0.12 0.54 0.02 1.52 0.02 0.00 0.00 175.30 177.28 1om9 s TYR 610 N -1.61 0.32 -0.01 -0.53 -0.85 -0.16 -1.29 117.35 113.21 1om9 s TYR 610 Ca 0.37 -0.69 0.05 0.00 -0.52 0.00 0.00 57.07 56.28 1om9 s TYR 610 Cb -0.12 -0.23 -0.01 0.00 0.38 0.00 0.00 41.96 41.97 1om9 s TYR 610 CO 0.27 -0.32 -0.18 0.15 -1.52 0.00 0.00 175.55 173.96 1om9 s LYS 611 N -2.72 1.44 -0.04 -3.49 1.02 -0.93 -1.66 119.74 113.36 1om9 s LYS 611 Ca -0.04 -0.63 0.01 0.00 0.02 0.00 0.00 55.97 55.33 1om9 s LYS 611 Cb -0.01 -1.39 0.02 0.00 -0.52 0.00 0.00 37.83 35.94 1om9 s LYS 611 CO -0.05 0.38 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.56 1om9 s LEU 612 N -0.41 1.30 -0.01 3.17 2.96 0.07 -1.45 118.68 124.31 1om9 s LEU 612 Ca 0.07 -0.09 0.07 0.00 -0.22 0.00 0.00 54.13 53.96 1om9 s LEU 612 Cb -0.07 -0.36 -0.02 0.00 0.50 0.00 0.00 46.19 46.25 1om9 s LEU 612 CO -0.01 -0.07 -0.24 -0.89 -1.32 0.00 0.00 176.35 173.83 1om9 s THR 613 N 0.90 1.87 0.26 3.68 2.01 -0.40 -0.85 115.64 123.12 1om9 s THR 613 Ca -0.11 -1.03 -0.21 0.00 0.31 0.00 0.00 61.69 60.64 1om9 s THR 613 Cb -0.14 -1.56 0.03 0.00 0.01 0.00 0.00 72.50 70.84 1om9 s THR 613 CO -0.00 0.51 0.73 0.72 -0.69 0.00 0.00 174.62 175.89 1om9 s PHE 614 N -0.58 -0.20 -0.02 4.92 -0.12 -0.96 -1.51 117.98 119.50 1om9 s PHE 614 Ca 0.09 -0.23 0.03 0.00 -0.05 0.00 0.00 56.93 56.77 1om9 s PHE 614 Cb -0.09 0.70 -0.00 0.00 -0.63 0.00 0.00 43.02 42.99 1om9 s PHE 614 CO -0.01 -1.19 -0.11 0.99 -0.05 0.00 0.00 175.22 174.85 1om9 s THR 615 N -3.86 0.94 -0.17 -4.49 2.01 0.89 -0.92 115.64 110.04 1om9 s THR 615 Ca 0.11 -0.47 -0.04 0.00 0.31 0.00 0.00 61.69 61.59 1om9 s THR 615 Cb -0.05 -0.81 0.08 0.00 0.01 0.00 0.00 72.50 71.73 1om9 s THR 615 CO 0.06 0.28 0.21 -0.32 -0.69 0.00 0.00 174.62 174.15 1om9 s MET 616 N -0.03 0.15 6.71 4.92 0.00 -0.27 -0.11 119.30 130.67 1om9 s MET 616 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 55.69 56.02 1om9 s MET 616 Cb -0.07 -0.90 0.00 0.00 0.00 0.00 0.00 34.83 33.85 1om9 s MET 616 CO 0.00 -0.54 0.00 0.41 0.00 0.00 0.00 175.02 174.89 1om9 n GLY 617 N 5.32 3.24 0.03 2.11 0.00 -1.26 -1.75 105.19 112.88 1om9 n GLY 617 Ca -0.05 -0.25 0.07 0.00 0.00 0.00 0.00 46.02 45.79 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 2.61 0.08 -4.30 1.61 8.00 -1.26 -4.86 116.55 118.43 1om9 n ASP 618 Ca 0.00 -1.56 -0.32 0.00 0.71 0.00 0.00 54.79 53.62 1om9 n ASP 618 Cb 0.00 -0.01 -0.16 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 -1.99 2.79 -0.06 -1.24 -1.52 -0.72 -5.11 119.66 111.81 1om9 s GLN 619 Ca 0.22 -0.84 -0.05 0.00 -1.95 0.00 0.00 55.36 52.74 1om9 s GLN 619 Cb 0.10 -2.29 -0.04 0.00 -0.22 0.00 0.00 33.01 30.56 1om9 s GLN 619 CO 0.17 0.34 0.16 0.99 -0.25 0.00 0.00 175.29 176.70 1om9 s THR 620 N -0.03 5.46 -0.07 -0.19 2.01 -1.26 -1.11 115.64 120.45 1om9 s THR 620 Ca -0.07 0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.01 1om9 s THR 620 Cb -0.15 -3.46 -0.01 0.00 0.01 0.00 0.00 72.50 68.89 1om9 s THR 620 CO 0.05 0.47 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.90 1om9 s TYR 621 N -1.18 2.48 -0.19 4.92 1.51 -0.09 -5.01 117.35 119.79 1om9 s TYR 621 Ca 0.21 -0.77 -0.01 0.00 -1.01 0.00 0.00 57.07 55.49 1om9 s TYR 621 Cb -0.12 -1.63 0.05 0.00 -0.11 0.00 0.00 41.96 40.15 1om9 s TYR 621 CO 0.11 -0.25 -0.03 -0.80 -1.11 0.00 0.00 175.55 173.48 1om9 s ASN 622 N -0.06 3.15 -0.00 2.29 0.01 -1.26 -2.28 114.94 116.78 1om9 s ASN 622 Ca -0.06 -0.86 0.08 0.00 -0.71 0.00 0.00 52.86 51.31 1om9 s ASN 622 Cb -0.15 -0.90 -0.02 0.00 0.41 0.00 0.00 41.25 40.60 1om9 s ASN 622 CO 0.05 -0.24 -0.24 -0.70 -1.51 0.00 0.00 177.10 174.46 1om9 s GLU 623 N 1.63 2.08 -0.06 -0.60 2.56 -0.03 -4.98 118.70 119.30 1om9 s GLU 623 Ca -0.02 -0.95 -0.00 0.00 0.00 0.00 0.00 54.97 54.00 1om9 s GLU 623 Cb -0.17 -2.08 0.02 0.00 2.00 0.00 0.00 34.13 33.91 1om9 s GLU 623 CO -0.07 0.56 -0.03 1.41 -0.56 0.00 0.00 175.26 176.57 1om9 s MET 624 N -0.83 0.80 0.00 4.30 -2.45 -1.26 -0.75 119.30 119.11 1om9 s MET 624 Ca 0.11 -0.03 0.00 0.00 -1.25 0.00 0.00 55.69 54.52 1om9 s MET 624 Cb -0.10 -0.97 0.00 0.00 1.25 0.00 0.00 34.83 35.01 1om9 s MET 624 CO 0.00 -0.20 0.00 0.41 1.05 0.00 0.00 175.02 176.29 1om9 n GLY 625 N 4.61 3.41 3.53 2.11 0.00 -0.66 -4.99 105.19 113.20 1om9 n GLY 625 Ca -0.16 -0.40 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 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 2.00 -0.30 -0.02 1.61 -4.77 -1.26 -0.99 116.67 112.94 1om9 s ASP 626 Ca 0.00 -0.43 0.01 0.00 -3.30 0.00 0.00 52.55 48.83 1om9 s ASP 626 Cb 0.00 0.59 0.02 0.00 -1.09 0.00 0.00 42.92 42.44 1om9 s ASP 626 CO 0.00 -1.06 -0.01 -0.69 0.70 0.00 0.00 175.17 174.11 1om9 s VAL 627 N -3.86 0.20 0.00 2.11 1.01 0.06 -4.98 120.40 114.93 1om9 s VAL 627 Ca 0.08 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1om9 s VAL 627 Cb -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.10 1om9 s VAL 627 CO -0.03 0.13 0.76 -0.90 0.00 0.00 0.00 175.10 175.05 1om9 n ASP 628 N 3.92 1.09 -3.95 3.32 5.68 -1.26 -2.09 116.55 123.27 1om9 n ASP 628 Ca -0.25 -1.53 -0.43 0.00 -0.50 0.00 0.00 54.79 52.08 1om9 n ASP 628 Cb 0.52 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.50 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 -0.27 3.90 -4.08 0.11 6.02 -1.26 -4.93 117.38 116.87 1om9 n GLN 629 Ca 0.00 -3.91 -0.31 0.00 -0.01 0.00 0.00 57.00 52.78 1om9 n GLN 629 Cb 0.35 -2.78 -0.07 0.00 1.02 0.00 0.00 30.24 28.76 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 -0.68 3.13 0.46 1.08 0.40 -1.26 -4.97 117.98 116.14 1om9 s PHE 630 Ca 0.37 0.05 -0.24 0.00 -0.60 0.00 0.00 56.93 56.51 1om9 s PHE 630 Cb 0.07 -1.60 -0.07 0.00 0.51 0.00 0.00 43.02 41.92 1om9 s PHE 630 CO 0.04 0.51 1.27 -2.14 0.70 0.00 0.00 175.22 175.60 1om9 s PRO 631 N -2.32 3.71 0.33 0.24 0.02 -1.26 -4.91 135.00 130.82 1om9 s PRO 631 Ca 0.28 2.06 -0.29 0.00 0.02 0.00 0.00 61.00 63.07 1om9 s PRO 631 Cb -0.12 -2.53 -0.12 0.00 0.02 0.00 0.00 34.50 31.75 1om9 s PRO 631 CO 0.20 -0.68 1.44 -2.30 -0.33 0.00 0.00 177.00 175.34 1om9 n PRO 632 N -0.33 2.44 0.15 5.54 -0.02 -1.26 -4.83 135.00 136.68 1om9 n PRO 632 Ca 0.06 0.86 0.10 0.00 -2.02 0.00 0.00 63.50 62.50 1om9 n PRO 632 Cb 0.45 -2.55 0.54 0.00 -0.02 0.00 0.00 33.50 31.92 1om9 n PRO 632 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1om9 n PRO 633 N 1.03 0.13 0.15 0.52 -0.04 -1.26 -1.51 135.00 134.02 1om9 n PRO 633 Ca 0.05 0.63 0.06 0.00 -0.04 0.00 0.00 63.50 64.20 1om9 n PRO 633 Cb 0.37 -1.92 0.06 0.00 -0.04 0.00 0.00 33.50 31.96 1om9 n PRO 633 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1om9 h GLU 634 N 0.00 0.00 -0.00 0.54 3.07 -1.90 -3.27 114.58 113.02 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 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1om9 h GLU 634 CO 0.00 0.25 -0.07 0.25 -1.40 0.00 0.00 179.01 178.05 1om9 n THR 635 N -3.08 0.00 0.29 1.13 -2.24 -0.57 -4.29 114.28 105.51 1om9 n THR 635 Ca 0.01 -0.05 0.16 0.00 -2.27 0.00 0.00 64.05 61.90 1om9 n THR 635 Cb 0.66 -0.20 0.84 0.00 -2.10 0.00 0.00 70.33 69.53 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 0.47 0.00 0.10 4.78 4.06 -1.69 -1.35 115.95 122.32 1om9 h TRP 636 Ca 0.00 0.00 -0.27 0.00 2.06 0.00 0.00 58.89 60.68 1om9 h TRP 636 Cb 0.30 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.45 1om9 h TRP 636 CO 0.00 0.06 -1.29 0.78 -3.56 0.00 0.00 178.44 174.44 1om9 h GLY 637 N 0.84 0.23 -3.49 1.49 0.00 -1.75 -3.38 103.07 97.01 1om9 h GLY 637 Ca -0.00 -0.59 -0.39 0.00 0.00 0.00 0.00 47.33 46.34 1om9 h GLY 637 CO 0.01 0.52 0.50 -1.14 0.00 0.00 0.00 176.54 176.43 1om9 n SER 638 N -3.46 5.46 0.00 0.19 3.41 -0.51 -4.99 113.62 113.73 1om9 n SER 638 Ca -0.09 -3.18 0.00 0.00 -0.26 0.00 0.00 58.87 55.34 1om9 n SER 638 Cb 1.01 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1om9 n SER 638 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06