#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c9x s PRO 502 N 0.00 0.94 0.24 0.00 0.04 -1.26 -5.05 135.00 129.91 2c9x s PRO 502 Ca 0.00 0.57 -0.06 0.00 0.04 0.00 0.00 61.00 61.54 2c9x s PRO 502 Cb 0.00 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.69 2c9x s PRO 502 CO 0.00 -2.39 0.52 -0.51 0.04 0.00 0.00 177.00 174.66 2c9x s LEU 503 N -6.25 4.13 0.12 -3.56 1.43 -1.26 -5.10 118.68 108.19 2c9x s LEU 503 Ca 0.64 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.50 2c9x s LEU 503 Cb -0.17 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 2c9x s LEU 503 CO 0.56 -0.11 -0.00 0.42 0.23 0.00 0.00 176.35 177.45 2c9x s THR 504 N -1.92 0.40 -0.05 5.49 -4.23 -1.26 -5.16 115.64 108.92 2c9x s THR 504 Ca 0.45 -1.91 0.02 0.00 -1.18 0.00 0.00 61.69 59.06 2c9x s THR 504 Cb -0.11 -1.87 0.01 0.00 1.34 0.00 0.00 72.50 71.87 2c9x s THR 504 CO 0.26 -0.68 -0.09 -0.47 -0.54 0.00 0.00 174.62 173.11 2c9x s TYR 505 N -3.83 1.10 -0.34 3.99 5.04 -1.26 -5.13 117.35 116.93 2c9x s TYR 505 Ca 0.18 -0.35 -0.11 0.00 -2.44 0.00 0.00 57.07 54.35 2c9x s TYR 505 Cb 0.07 -0.84 0.00 0.00 0.35 0.00 0.00 41.96 41.54 2c9x s TYR 505 CO -0.02 -0.20 0.19 -2.00 -1.34 0.00 0.00 175.55 172.18 2c9x s GLU 506 N 0.62 3.20 0.22 4.97 2.56 -1.26 -5.09 118.70 123.93 2c9x s GLU 506 Ca -0.11 -0.82 -0.19 0.00 0.00 0.00 0.00 54.97 53.85 2c9x s GLU 506 Cb -0.14 -3.66 -0.08 0.00 2.00 0.00 0.00 34.13 32.25 2c9x s GLU 506 CO 0.02 -0.51 0.71 -0.51 -0.56 0.00 0.00 175.26 174.41 2c9x s LEU 507 N 1.61 4.33 0.74 2.70 1.43 -1.26 -5.05 118.68 123.18 2c9x s LEU 507 Ca 0.04 1.39 -0.11 0.00 -1.03 0.00 0.00 54.13 54.42 2c9x s LEU 507 Cb -0.18 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.49 2c9x s LEU 507 CO 0.07 0.03 1.09 -2.16 0.23 0.00 0.00 176.35 175.61 2c9x s PRO 508 N -2.01 2.46 0.38 1.29 0.04 -1.26 -4.95 135.00 130.94 2c9x s PRO 508 Ca 0.43 1.18 -0.27 0.00 0.04 0.00 0.00 61.00 62.38 2c9x s PRO 508 Cb -0.16 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 2c9x s PRO 508 CO 0.21 -1.49 1.29 -0.25 0.04 0.00 0.00 177.00 176.80 2c9x n ASP 509 N -3.26 2.72 -4.73 6.66 8.00 -1.26 -4.97 116.55 119.71 2c9x n ASP 509 Ca 0.09 1.17 -0.41 0.00 0.71 0.00 0.00 54.79 56.35 2c9x n ASP 509 Cb 0.53 -1.50 -0.04 0.00 -0.02 0.00 0.00 41.12 40.09 2c9x n ASP 509 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2c9x s GLU 510 N -2.02 4.61 0.00 -1.24 2.12 -1.26 -4.93 118.70 115.98 2c9x s GLU 510 Ca 0.57 1.35 0.00 0.00 0.36 0.00 0.00 54.97 57.26 2c9x s GLU 510 Cb -0.54 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 30.45 2c9x s GLU 510 CO 0.61 0.14 0.12 0.25 -0.54 0.00 0.00 175.26 175.84 2c9x n THR 511 N 3.16 0.00 -1.83 -1.70 -2.24 -1.26 -5.07 114.28 105.34 2c9x n THR 511 Ca 0.02 -0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 2c9x n THR 511 Cb 0.50 1.19 -0.03 0.00 -2.10 0.00 0.00 70.33 69.90 2c9x n THR 511 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2c9x s ALA 512 N -0.31 3.85 0.06 6.98 0.00 -1.26 -5.01 121.76 126.07 2c9x s ALA 512 Ca 0.00 1.49 0.04 0.00 0.00 0.00 0.00 51.96 53.49 2c9x s ALA 512 Cb 0.00 -3.66 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 2c9x s ALA 512 CO 0.00 -0.86 -0.12 -0.65 0.00 0.00 0.00 175.76 174.13 2c9x s GLN 513 N 1.04 0.75 0.61 0.00 -0.21 -1.26 -4.67 119.66 115.91 2c9x s GLN 513 Ca 0.72 -0.87 -0.17 0.00 0.02 0.00 0.00 55.36 55.06 2c9x s GLN 513 Cb -0.47 -0.69 -0.03 0.00 1.00 0.00 0.00 33.01 32.82 2c9x s GLN 513 CO 0.33 0.15 1.12 -0.51 -2.12 0.00 0.00 175.29 174.26 2c9x s LEU 514 N -1.60 3.55 -0.13 2.90 1.43 -1.26 -4.92 118.68 118.65 2c9x s LEU 514 Ca -0.04 2.07 -0.29 0.00 -1.03 0.00 0.00 54.13 54.84 2c9x s LEU 514 Cb -0.10 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.53 2c9x s LEU 514 CO 0.02 -1.43 1.43 -0.54 0.23 0.00 0.00 176.35 176.05 2c9x s LYS 515 N -3.75 4.17 0.60 1.70 1.02 -1.26 -4.99 119.74 117.22 2c9x s LYS 515 Ca 0.69 1.84 -0.20 0.00 0.02 0.00 0.00 55.97 58.32 2c9x s LYS 515 Cb -0.22 -3.87 -0.03 0.00 -0.52 0.00 0.00 37.83 33.19 2c9x s LYS 515 CO 0.35 -0.82 1.31 -2.14 -0.92 0.00 0.00 175.35 173.13 2c9x s PRO 516 N 3.81 2.85 0.09 -1.68 0.02 -1.26 -5.00 135.00 133.84 2c9x s PRO 516 Ca 0.63 2.11 -0.20 0.00 0.02 0.00 0.00 61.00 63.56 2c9x s PRO 516 Cb -0.26 -2.03 0.05 0.00 0.02 0.00 0.00 34.50 32.28 2c9x s PRO 516 CO 0.21 -1.38 0.48 0.00 -0.33 0.00 0.00 177.00 175.99 2c9x s ALA 517 N -1.37 -1.20 -0.49 -1.55 0.00 -1.26 -5.05 121.76 110.84 2c9x s ALA 517 Ca 0.77 0.31 0.25 0.00 0.00 0.00 0.00 51.96 53.30 2c9x s ALA 517 Cb -0.38 0.58 0.94 0.00 0.00 0.00 0.00 23.12 24.26 2c9x s ALA 517 CO 0.42 -0.60 1.76 -1.00 0.00 0.00 0.00 175.76 176.35 2c9x h PRO 518 N 2.52 0.00 -6.96 0.00 0.13 -2.02 -3.44 132.00 122.23 2c9x h PRO 518 Ca -0.33 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.27 2c9x h PRO 518 Cb 1.24 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.47 2c9x h PRO 518 CO 0.43 0.00 0.65 -0.65 -0.23 0.00 0.00 178.00 178.20 2c9x s GLN 519 N -3.28 3.90 0.52 0.86 1.11 -1.26 -4.90 119.66 116.61 2c9x s GLN 519 Ca 0.06 2.27 0.26 0.00 0.01 0.00 0.00 55.36 57.96 2c9x s GLN 519 Cb 0.10 -2.75 1.44 0.00 -1.01 0.00 0.00 33.01 30.79 2c9x s GLN 519 CO 0.49 -0.59 2.08 -1.00 0.01 0.00 0.00 175.29 176.28 2c9x h PRO 520 N 2.61 0.00 0.00 2.91 0.13 -1.92 -2.23 132.00 133.51 2c9x h PRO 520 Ca -0.50 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2c9x h PRO 520 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 2c9x h PRO 520 CO 0.62 0.11 -0.02 0.78 -0.23 0.00 0.00 178.00 179.27 2c9x h GLY 521 N 0.73 0.00 0.47 1.56 0.00 -1.91 -2.66 103.07 101.26 2c9x h GLY 521 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 2c9x h GLY 521 CO 0.01 0.00 -0.46 -2.75 0.00 0.00 0.00 176.54 173.34 2c9x h PHE 522 N 0.00 -1.29 -0.65 5.60 3.57 -1.68 0.11 116.94 122.60 2c9x h PHE 522 Ca -0.00 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2c9x h PHE 522 Cb 0.07 0.51 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 2c9x h PHE 522 CO 0.00 -0.61 0.28 0.93 -2.23 0.00 0.00 178.31 176.68 2c9x h GLU 523 N -0.88 0.94 -0.75 1.11 3.07 -1.69 -0.57 114.58 115.81 2c9x h GLU 523 Ca -0.04 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.36 58.66 2c9x h GLU 523 Cb 0.80 -0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.50 2c9x h GLU 523 CO -0.11 0.76 0.38 0.00 -1.40 0.00 0.00 179.01 178.64 2c9x h ALA 524 N 1.38 0.97 -0.37 3.43 0.00 -1.37 -1.44 119.26 121.86 2c9x h ALA 524 Ca 0.22 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2c9x h ALA 524 Cb 0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2c9x h ALA 524 CO -0.02 0.51 0.04 0.00 0.00 0.00 0.00 179.25 179.78 2c9x h ALA 525 N 1.19 0.49 -0.86 0.00 0.00 -0.22 -0.73 119.26 119.12 2c9x h ALA 525 Ca 0.26 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 55.06 2c9x h ALA 525 Cb 0.09 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 2c9x h ALA 525 CO -0.04 0.22 0.56 1.96 0.00 0.00 0.00 179.25 181.95 2c9x h GLN 526 N 0.45 0.73 0.00 0.00 4.20 -0.80 0.94 115.11 120.64 2c9x h GLN 526 Ca 0.11 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2c9x h GLN 526 Cb 0.40 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2c9x h GLN 526 CO 0.01 0.49 -0.64 -0.91 -0.67 0.00 0.00 178.83 177.11 2c9x h ASN 527 N 0.76 0.00 0.00 1.46 2.35 -0.86 -3.40 115.58 115.88 2c9x h ASN 527 Ca 0.41 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 2c9x h ASN 527 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 2c9x h ASN 527 CO -0.18 0.07 -0.95 0.59 -1.65 0.00 0.00 177.43 175.32 2c9x n ASN 528 N -2.31 4.73 -0.73 5.81 4.13 -0.32 -4.85 115.26 121.72 2c9x n ASN 528 Ca 0.03 0.00 0.09 0.00 1.68 0.00 0.00 54.58 56.37 2c9x n ASN 528 Cb 0.47 0.89 0.10 0.00 -1.54 0.00 0.00 39.78 39.70 2c9x n ASN 528 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2c9x n ALA 530 N 0.99 2.46 0.07 0.00 0.00 -1.26 -4.62 120.51 118.14 2c9x n ALA 530 Ca 0.11 -0.63 -0.02 0.00 0.00 0.00 0.00 53.44 52.90 2c9x n ALA 530 Cb 0.44 -0.38 0.23 0.00 0.00 0.00 0.00 19.45 19.75 2c9x n ALA 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2c9x h ALA 531 N 2.17 1.15 0.00 0.00 0.00 -1.91 -3.33 119.26 117.34 2c9x h ALA 531 Ca 0.00 -0.36 -0.26 0.00 0.00 0.00 0.00 54.91 54.29 2c9x h ALA 531 Cb 0.48 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2c9x h ALA 531 CO 0.00 0.55 -1.99 0.00 0.00 0.00 0.00 179.25 177.81 2c9x s HIS 533 N -2.38 0.13 0.69 0.00 -3.43 -1.25 -5.16 115.29 103.89 2c9x s HIS 533 Ca -0.07 -0.50 -0.15 0.00 -0.80 0.00 0.00 55.06 53.53 2c9x s HIS 533 Cb 0.05 0.07 0.02 0.00 -1.43 0.00 0.00 32.58 31.28 2c9x s HIS 533 CO 0.60 -0.70 1.17 -1.54 -2.00 0.00 0.00 174.74 172.27 2c9x s SER 534 N -2.89 4.66 0.00 7.38 1.04 -1.26 -4.29 113.70 118.34 2c9x s SER 534 Ca 0.10 2.22 0.30 0.00 0.48 0.00 0.00 55.95 59.04 2c9x s SER 534 Cb 0.03 -2.57 1.47 0.00 0.10 0.00 0.00 66.02 65.04 2c9x s SER 534 CO -0.06 -1.94 2.03 1.33 0.98 0.00 0.00 173.24 175.58 2c9x n VAL 535 N -2.47 0.00 0.10 5.02 0.24 -1.26 -2.93 118.33 117.03 2c9x n VAL 535 Ca 0.12 0.00 0.18 0.00 -2.04 0.00 0.00 64.34 62.60 2c9x n VAL 535 Cb 0.51 -0.50 0.73 0.00 -1.47 0.00 0.00 33.84 33.10 2c9x n VAL 535 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 2c9x h ASP 536 N 0.00 0.00 -0.92 -1.34 3.04 -1.91 -0.29 116.42 115.01 2c9x h ASP 536 Ca 0.00 0.00 0.18 0.00 -3.24 0.00 0.00 57.03 53.97 2c9x h ASP 536 Cb 0.32 0.00 -0.10 0.00 -1.04 0.00 0.00 39.33 38.51 2c9x h ASP 536 CO 0.00 0.00 0.50 1.88 -2.04 0.00 0.00 179.24 179.58 2c9x h TYR 537 N 0.00 0.87 0.03 4.15 -1.99 -1.93 -1.39 116.97 116.71 2c9x h TYR 537 Ca 0.17 0.04 -0.12 0.00 2.00 0.00 0.00 58.73 60.82 2c9x h TYR 537 Cb 0.75 -0.24 0.01 0.00 2.00 0.00 0.00 36.73 39.25 2c9x h TYR 537 CO 0.00 0.17 -0.48 0.82 -0.00 0.00 0.00 178.16 178.66 2c9x h ILE 538 N 0.64 1.52 0.00 -2.88 2.04 -1.34 -3.33 117.51 114.17 2c9x h ILE 538 Ca 0.52 -2.17 -0.00 0.00 1.00 0.00 0.00 64.86 64.21 2c9x h ILE 538 Cb 0.82 2.87 -0.00 0.00 -0.74 0.00 0.00 36.82 39.77 2c9x h ILE 538 CO -0.40 0.61 -0.01 0.78 0.00 0.00 0.00 178.15 179.13 2c9x h ASN 539 N -0.38 0.00 -0.03 1.72 2.35 -1.00 -2.53 115.58 115.70 2c9x h ASN 539 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2c9x h ASN 539 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 2c9x h ASN 539 CO 0.09 0.01 0.00 0.35 -1.65 0.00 0.00 177.43 176.24 2c9x n THR 540 N -4.21 0.01 -0.93 2.81 -2.24 -0.55 -4.97 114.28 104.20 2c9x n THR 540 Ca -0.03 -0.44 -0.31 0.00 -2.27 0.00 0.00 64.05 61.00 2c9x n THR 540 Cb 0.10 1.26 0.14 0.00 -2.10 0.00 0.00 70.33 69.72 2c9x n THR 540 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2c9x s GLN 541 N -1.99 1.51 0.47 -0.78 -1.52 -0.96 -4.93 119.66 111.45 2c9x s GLN 541 Ca 0.30 1.38 -0.24 0.00 -1.95 0.00 0.00 55.36 54.86 2c9x s GLN 541 Cb 0.20 -1.80 -0.08 0.00 -0.22 0.00 0.00 33.01 31.11 2c9x s GLN 541 CO 0.31 -2.23 1.20 -2.30 -0.25 0.00 0.00 175.29 172.01 2c9x n PRO 542 N -3.95 1.65 -2.70 2.91 -0.02 -1.26 -4.95 135.00 126.68 2c9x n PRO 542 Ca 0.11 0.59 -0.32 0.00 -2.02 0.00 0.00 63.50 61.86 2c9x n PRO 542 Cb 0.52 -2.32 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 2c9x n PRO 542 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2c9x s PRO 543 N -2.36 3.91 -1.45 0.52 0.04 -1.26 -4.23 135.00 130.18 2c9x s PRO 543 Ca 0.65 0.75 -0.11 0.00 0.04 0.00 0.00 61.00 62.34 2c9x s PRO 543 Cb -0.49 -2.27 0.07 0.00 0.04 0.00 0.00 34.50 31.84 2c9x s PRO 543 CO 0.55 -0.11 0.74 0.41 0.04 0.00 0.00 177.00 178.63 2c9x n GLY 544 N -1.25 -0.50 0.20 0.56 0.00 -0.01 -4.89 105.19 99.31 2c9x n GLY 544 Ca 0.05 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.29 2c9x n GLY 544 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2c9x h LYS 545 N -1.56 0.00 0.00 1.61 1.79 -1.79 -3.49 116.57 113.13 2c9x h LYS 545 Ca -0.52 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 2c9x h LYS 545 Cb 1.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.99 2c9x h LYS 545 CO 0.60 0.31 0.00 0.41 -1.08 0.00 0.00 179.45 179.69 2c9x n GLY 546 N 0.28 -2.05 0.11 3.86 0.00 -1.26 -4.55 105.19 101.58 2c9x n GLY 546 Ca 0.00 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 2c9x n GLY 546 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2c9x h GLN 547 N 0.00 0.23 -0.90 1.61 5.75 -1.94 -3.00 115.11 116.86 2c9x h GLN 547 Ca 0.00 -0.09 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 2c9x h GLN 547 Cb 0.00 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.50 2c9x h GLN 547 CO 0.00 0.55 0.52 0.00 -2.65 0.00 0.00 178.83 177.25 2c9x h ALA 548 N 0.68 1.15 0.13 3.38 0.00 -1.99 -0.15 119.26 122.46 2c9x h ALA 548 Ca 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2c9x h ALA 548 Cb 0.47 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2c9x h ALA 548 CO 0.01 0.64 -0.06 0.35 0.00 0.00 0.00 179.25 180.19 2c9x h PHE 549 N 1.25 -0.16 -0.32 0.00 3.57 -1.79 -1.23 116.94 118.26 2c9x h PHE 549 Ca 0.32 -0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.65 2c9x h PHE 549 Cb -0.01 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 2c9x h PHE 549 CO 0.01 -0.09 -0.44 -1.49 -2.23 0.00 0.00 178.31 174.07 2c9x h TRP 550 N -0.19 1.02 -0.51 0.41 4.06 -1.37 -0.16 115.95 119.20 2c9x h TRP 550 Ca -0.02 -0.32 0.10 0.00 2.06 0.00 0.00 58.89 60.71 2c9x h TRP 550 Cb 0.15 -0.21 -0.09 0.00 -1.00 0.00 0.00 29.16 28.01 2c9x h TRP 550 CO -0.07 1.12 -0.03 -0.44 -3.56 0.00 0.00 178.44 175.47 2c9x h ASP 551 N 0.67 -0.28 -0.57 -3.49 3.32 -1.02 -0.97 116.42 114.08 2c9x h ASP 551 Ca 0.04 0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 2c9x h ASP 551 Cb 1.02 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 2c9x h ASP 551 CO 0.10 -0.10 0.16 0.00 -1.72 0.00 0.00 179.24 177.68 2c9x h ALA 552 N 1.47 0.75 0.04 3.45 0.00 -0.76 -1.56 119.26 122.66 2c9x h ALA 552 Ca 0.26 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2c9x h ALA 552 Cb 0.40 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2c9x h ALA 552 CO -0.45 0.44 -0.07 0.93 0.00 0.00 0.00 179.25 180.09 2c9x h GLU 553 N 0.81 -0.15 -0.49 0.00 4.39 -0.67 -0.92 114.58 117.57 2c9x h GLU 553 Ca 0.18 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.90 2c9x h GLU 553 Cb 0.31 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 2c9x h GLU 553 CO -0.00 -0.10 0.32 0.28 -1.16 0.00 0.00 179.01 178.35 2c9x h VAL 554 N -0.15 1.12 -0.80 3.13 2.07 -1.11 -2.20 116.25 118.30 2c9x h VAL 554 Ca 0.02 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 2c9x h VAL 554 Cb 0.17 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 2c9x h VAL 554 CO -0.05 0.12 0.32 1.56 0.02 0.00 0.00 177.57 179.54 2c9x h GLN 555 N 0.65 1.20 -0.81 1.57 1.08 -1.11 -2.57 115.11 115.13 2c9x h GLN 555 Ca 0.18 -0.22 0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2c9x h GLN 555 Cb -0.07 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.13 2c9x h GLN 555 CO -0.04 0.97 0.53 -0.22 -0.95 0.00 0.00 178.83 179.12 2c9x h LYS 556 N 1.17 1.06 -1.00 1.46 3.64 -0.92 0.95 116.57 122.93 2c9x h LYS 556 Ca 0.27 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.62 2c9x h LYS 556 Cb 0.22 -0.24 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 2c9x h LYS 556 CO -0.02 0.71 0.66 0.52 -2.27 0.00 0.00 179.45 179.04 2c9x h MET 557 N 1.09 1.24 0.03 1.90 2.86 -1.02 -0.56 114.93 120.46 2c9x h MET 557 Ca 0.29 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2c9x h MET 557 Cb -0.12 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 31.26 2c9x h MET 557 CO -0.06 0.82 -0.01 0.82 1.06 0.00 0.00 176.91 179.53 2c9x h ILE 558 N 1.27 1.31 0.12 -1.22 2.04 -1.12 0.43 117.51 120.34 2c9x h ILE 558 Ca 0.40 -1.80 -0.28 0.00 1.00 0.00 0.00 64.86 64.17 2c9x h ILE 558 Cb -0.01 2.39 0.03 0.00 -0.74 0.00 0.00 36.82 38.49 2c9x h ILE 558 CO -0.12 0.41 -1.17 0.11 0.00 0.00 0.00 178.15 177.38 2c9x h LYS 559 N -0.92 0.58 0.00 2.37 1.79 -0.86 -2.85 116.57 116.68 2c9x h LYS 559 Ca -0.00 -0.79 -0.18 0.00 -2.18 0.00 0.00 60.65 57.50 2c9x h LYS 559 Cb 0.71 0.26 -0.03 0.00 -1.58 0.00 0.00 32.23 31.59 2c9x h LYS 559 CO 0.01 1.35 -0.98 0.28 -1.08 0.00 0.00 179.45 179.03 2c9x h VAL 560 N 0.18 1.11 -0.01 0.50 2.07 -1.29 -3.40 116.25 115.42 2c9x h VAL 560 Ca -0.18 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.12 2c9x h VAL 560 Cb 1.86 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 34.11 2c9x h VAL 560 CO 0.22 0.38 -0.61 -1.22 0.02 0.00 0.00 177.57 176.36 2c9x n TYR 561 N -4.47 0.00 -2.66 1.57 4.01 -1.08 -4.98 117.16 109.55 2c9x n TYR 561 Ca -0.27 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.35 2c9x n TYR 561 Cb 0.64 -0.04 0.02 0.00 -0.31 0.00 0.00 39.34 39.64 2c9x n TYR 561 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2c9x n HIS 562 N -0.73 -1.05 -1.69 -0.72 8.25 -0.41 -4.95 115.22 113.91 2c9x n HIS 562 Ca 0.08 0.28 -0.42 0.00 -0.26 0.00 0.00 57.72 57.39 2c9x n HIS 562 Cb 0.39 -2.89 -0.03 0.00 1.12 0.00 0.00 29.99 28.58 2c9x n HIS 562 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2c9x n ALA 563 N -2.71 2.18 -2.13 -1.41 0.00 0.01 -4.89 120.51 111.55 2c9x n ALA 563 Ca -0.06 0.30 -0.42 0.00 0.00 0.00 0.00 53.44 53.26 2c9x n ALA 563 Cb 0.57 -2.61 -0.00 0.00 0.00 0.00 0.00 19.45 17.41 2c9x n ALA 563 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2c9x n PRO 564 N 5.81 2.96 -4.24 0.00 -0.04 -1.26 -4.53 135.00 133.71 2c9x n PRO 564 Ca 0.18 -2.91 -0.31 0.00 -0.04 0.00 0.00 63.50 60.42 2c9x n PRO 564 Cb 0.38 -3.39 -0.16 0.00 -0.04 0.00 0.00 33.50 30.28 2c9x n PRO 564 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2c9x s VAL 565 N 3.91 1.77 0.97 0.52 1.01 -1.26 -5.10 120.40 122.21 2c9x s VAL 565 Ca 0.51 -0.77 -0.13 0.00 0.00 0.00 0.00 61.98 61.59 2c9x s VAL 565 Cb 0.09 -1.62 0.17 0.00 0.00 0.00 0.00 36.38 35.02 2c9x s VAL 565 CO 0.00 0.49 1.12 1.51 0.00 0.00 0.00 175.10 178.23 2c9x s ASP 566 N 1.23 2.98 0.11 3.32 1.47 -1.26 -4.75 116.67 119.77 2c9x s ASP 566 Ca 0.01 1.01 -0.18 0.00 1.18 0.00 0.00 52.55 54.56 2c9x s ASP 566 Cb -0.14 -1.59 -0.05 0.00 -0.34 0.00 0.00 42.92 40.80 2c9x s ASP 566 CO -0.08 -2.89 1.64 -0.08 0.68 0.00 0.00 175.17 174.44 2c9x h GLU 567 N -1.73 0.43 -0.06 2.11 4.81 -2.00 -0.27 114.58 117.87 2c9x h GLU 567 Ca -0.52 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.63 2c9x h GLU 567 Cb 1.33 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.64 2c9x h GLU 567 CO 0.59 0.46 0.04 0.00 -0.73 0.00 0.00 179.01 179.37 2c9x h ALA 568 N 0.94 0.08 -0.79 2.92 0.00 -2.00 -1.93 119.26 118.48 2c9x h ALA 568 Ca 0.09 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2c9x h ALA 568 Cb 0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2c9x h ALA 568 CO -0.01 -0.42 0.52 -0.44 0.00 0.00 0.00 179.25 178.90 2c9x h ASP 569 N 0.06 0.91 -0.73 0.00 3.32 -1.90 -1.35 116.42 116.74 2c9x h ASP 569 Ca 0.02 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.09 2c9x h ASP 569 Cb 0.01 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.28 2c9x h ASP 569 CO -0.00 0.66 0.44 0.00 -1.72 0.00 0.00 179.24 178.62 2c9x h ALA 570 N 1.29 0.96 -0.28 3.45 0.00 -0.77 0.71 119.26 124.62 2c9x h ALA 570 Ca 0.29 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 2c9x h ALA 570 Cb -0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2c9x h ALA 570 CO -0.06 0.19 -0.16 -0.22 0.00 0.00 0.00 179.25 179.01 2c9x h LYS 571 N 0.85 0.60 -0.74 0.00 3.64 -1.11 -1.61 116.57 118.20 2c9x h LYS 571 Ca 0.30 -0.27 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 2c9x h LYS 571 Cb 0.08 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 2c9x h LYS 571 CO -0.14 0.85 0.47 0.00 -2.27 0.00 0.00 179.45 178.36 2c9x h ALA 572 N 0.74 0.96 0.09 5.00 0.00 -0.82 -0.83 119.26 124.39 2c9x h ALA 572 Ca 0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2c9x h ALA 572 Cb 0.68 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2c9x h ALA 572 CO 0.05 0.27 -0.04 0.82 0.00 0.00 0.00 179.25 180.34 2c9x h ILE 573 N 0.92 1.14 -0.71 0.00 2.04 -0.81 -1.31 117.51 118.78 2c9x h ILE 573 Ca 0.29 -0.90 0.09 0.00 1.00 0.00 0.00 64.86 65.34 2c9x h ILE 573 Cb -0.00 1.71 -0.07 0.00 -0.74 0.00 0.00 36.82 37.72 2c9x h ILE 573 CO -0.10 0.22 0.36 0.00 0.00 0.00 0.00 178.15 178.63 2c9x h ALA 574 N 0.31 0.97 -0.40 1.87 0.00 -1.21 -0.18 119.26 120.63 2c9x h ALA 574 Ca -0.01 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2c9x h ALA 574 Cb 0.45 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2c9x h ALA 574 CO 0.02 -0.02 0.15 -0.44 0.00 0.00 0.00 179.25 178.96 2c9x h ASP 575 N 0.63 0.56 -0.50 0.00 3.32 -1.09 -0.69 116.42 118.65 2c9x h ASP 575 Ca 0.34 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 57.24 2c9x h ASP 575 Cb 0.33 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 2c9x h ASP 575 CO -0.25 0.59 0.29 0.22 -1.72 0.00 0.00 179.24 178.37 2c9x h TYR 576 N 0.50 0.53 -0.30 4.55 3.20 -0.87 -2.18 116.97 122.41 2c9x h TYR 576 Ca 0.13 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 2c9x h TYR 576 Cb 0.21 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 2c9x h TYR 576 CO 0.00 0.29 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.74 2c9x h LEU 577 N 0.56 0.52 -1.31 2.82 3.38 -0.78 -1.08 115.31 119.42 2c9x h LEU 577 Ca 0.21 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 2c9x h LEU 577 Cb 0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2c9x h LEU 577 CO -0.11 0.70 -0.34 0.00 0.09 0.00 0.00 178.44 178.78 2c9x h ALA 578 N 0.83 1.38 0.00 1.53 0.00 -1.05 -0.85 119.26 121.09 2c9x h ALA 578 Ca 0.08 -0.31 -0.18 0.00 0.00 0.00 0.00 54.91 54.50 2c9x h ALA 578 Cb 0.44 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2c9x h ALA 578 CO 0.02 0.43 -0.97 -0.22 0.00 0.00 0.00 179.25 178.50 2c9x h LYS 579 N 0.00 0.00 0.00 0.00 3.64 -1.22 -3.40 116.57 115.59 2c9x h LYS 579 Ca -0.00 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.08 2c9x h LYS 579 Cb 0.63 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.39 2c9x h LYS 579 CO 0.04 0.72 -2.18 2.41 -2.27 0.00 0.00 179.45 178.18 2c9x n THR 580 N -3.23 1.10 0.32 1.00 -1.04 -0.42 -5.10 114.28 106.90 2c9x n THR 580 Ca -0.02 -0.72 0.04 0.00 -2.04 0.00 0.00 64.05 61.31 2c9x n THR 580 Cb 0.88 -0.48 0.03 0.00 -1.82 0.00 0.00 70.33 68.95 2c9x n THR 580 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21