#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2puy s MET 485 N 0.00 0.77 -0.34 -0.41 0.00 -1.26 -5.12 119.30 112.93 2puy s MET 485 Ca 0.00 0.85 -0.05 0.00 0.00 0.00 0.00 55.69 56.49 2puy s MET 485 Cb 0.00 0.38 0.06 0.00 0.00 0.00 0.00 34.83 35.26 2puy s MET 485 CO 0.00 -0.11 0.10 0.42 0.00 0.00 0.00 175.02 175.44 2puy s ILE 486 N 0.23 3.53 0.24 10.11 1.01 -1.26 -5.09 121.20 129.96 2puy s ILE 486 Ca 0.00 -1.36 -0.11 0.00 0.00 0.00 0.00 60.65 59.18 2puy s ILE 486 Cb -0.05 -3.08 -0.08 0.00 0.01 0.00 0.00 42.46 39.27 2puy s ILE 486 CO -0.00 -0.26 0.59 -1.00 0.00 0.00 0.00 174.94 174.27 2puy s HIS 487 N 1.33 3.43 0.93 3.97 3.76 -1.26 -4.60 115.29 122.85 2puy s HIS 487 Ca -0.01 0.97 -0.12 0.00 -0.15 0.00 0.00 55.06 55.76 2puy s HIS 487 Cb -0.20 -2.34 0.15 0.00 1.11 0.00 0.00 32.58 31.30 2puy s HIS 487 CO 0.01 0.25 1.09 -1.21 -0.85 0.00 0.00 174.74 174.03 2puy s GLU 488 N -2.75 1.01 0.00 1.40 2.02 0.23 -4.98 118.70 115.62 2puy s GLU 488 Ca 0.48 0.84 0.17 0.00 0.02 0.00 0.00 54.97 56.48 2puy s GLU 488 Cb -0.11 -1.78 0.12 0.00 0.10 0.00 0.00 34.13 32.46 2puy s GLU 488 CO 0.20 -2.42 1.02 -0.25 0.02 0.00 0.00 175.26 173.83 2puy n ASP 489 N -4.01 2.33 -4.11 -0.19 8.00 -1.26 -4.76 116.55 112.55 2puy n ASP 489 Ca 0.07 -1.66 -0.20 0.00 0.71 0.00 0.00 54.79 53.70 2puy n ASP 489 Cb 0.55 0.07 -0.14 0.00 -0.02 0.00 0.00 41.12 41.58 2puy n ASP 489 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2puy s PHE 490 N -1.51 1.13 0.26 1.24 0.40 -1.26 -4.33 117.98 113.91 2puy s PHE 490 Ca 0.19 -0.30 -0.31 0.00 -0.60 0.00 0.00 56.93 55.92 2puy s PHE 490 Cb 0.14 -0.69 -0.12 0.00 0.51 0.00 0.00 43.02 42.86 2puy s PHE 490 CO 0.24 0.01 1.60 0.00 0.70 0.00 0.00 175.22 177.77 2puy h SER 492 N 5.21 0.00 0.00 0.00 0.02 -1.28 0.18 113.55 117.67 2puy h SER 492 Ca -0.46 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.44 2puy h SER 492 Cb 1.23 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 2puy h SER 492 CO 0.83 0.07 -0.52 0.58 -1.14 0.00 0.00 176.83 176.65 2puy h VAL 493 N 0.00 0.42 0.00 2.27 2.07 -1.90 -3.42 116.25 115.69 2puy h VAL 493 Ca -0.00 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.08 2puy h VAL 493 Cb 0.24 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2puy h VAL 493 CO 0.01 0.14 -1.02 0.00 0.02 0.00 0.00 177.57 176.72 2puy n ARG 495 N -1.57 -1.31 -4.33 0.00 5.12 0.61 -4.96 116.66 110.23 2puy n ARG 495 Ca 0.04 0.83 -0.25 0.00 -1.93 0.00 0.00 57.85 56.54 2puy n ARG 495 Cb 0.35 -5.23 -0.09 0.00 -1.16 0.00 0.00 32.46 26.33 2puy n ARG 495 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2puy s LYS 496 N -4.69 2.05 0.01 5.56 -0.14 -1.26 -4.67 119.74 116.60 2puy s LYS 496 Ca 0.00 -1.44 0.00 0.00 -1.36 0.00 0.00 55.97 53.17 2puy s LYS 496 Cb 0.00 -2.07 0.00 0.00 -1.68 0.00 0.00 37.83 34.08 2puy s LYS 496 CO 0.00 0.38 0.02 -1.13 -0.76 0.00 0.00 175.35 173.86 2puy n SER 497 N -0.45 0.03 0.00 2.83 3.41 -1.26 -0.86 113.62 117.32 2puy n SER 497 Ca -0.08 -1.03 0.00 0.00 -0.26 0.00 0.00 58.87 57.50 2puy n SER 497 Cb 0.58 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 2puy n SER 497 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2puy n GLY 498 N 4.84 0.34 3.62 5.00 0.00 -1.26 -4.93 105.19 112.80 2puy n GLY 498 Ca 0.00 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 2puy n GLY 498 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2puy s GLN 499 N -0.83 3.93 -0.13 1.61 0.74 -1.26 -5.01 119.66 118.70 2puy s GLN 499 Ca 0.00 0.73 0.02 0.00 0.05 0.00 0.00 55.36 56.15 2puy s GLN 499 Cb 0.00 -3.77 0.02 0.00 1.10 0.00 0.00 33.01 30.35 2puy s GLN 499 CO 0.00 -0.90 -0.17 -0.51 -0.55 0.00 0.00 175.29 173.16 2puy s LEU 500 N 3.46 1.84 -0.04 3.68 1.43 -1.26 -4.37 118.68 123.43 2puy s LEU 500 Ca 0.40 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.69 2puy s LEU 500 Cb -0.12 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.84 2puy s LEU 500 CO 0.17 0.01 1.10 -0.22 0.23 0.00 0.00 176.35 177.64 2puy s LEU 501 N 1.09 4.31 -0.09 1.79 2.96 0.92 -4.80 118.68 124.86 2puy s LEU 501 Ca -0.03 1.73 -0.17 0.00 -0.22 0.00 0.00 54.13 55.44 2puy s LEU 501 Cb -0.14 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 2puy s LEU 501 CO -0.05 -0.45 0.45 -0.04 -1.32 0.00 0.00 176.35 174.93 2puy s MET 502 N 1.69 4.23 0.26 1.98 -1.94 -1.26 -1.14 119.30 123.12 2puy s MET 502 Ca 0.53 0.42 -0.29 0.00 -1.71 0.00 0.00 55.69 54.64 2puy s MET 502 Cb -0.23 -3.38 -0.09 0.00 2.01 0.00 0.00 34.83 33.14 2puy s MET 502 CO 0.23 0.31 1.24 0.00 -0.01 0.00 0.00 175.02 176.80 2puy n ASP 504 N 1.61 0.00 0.00 0.00 8.00 -0.59 -3.95 116.55 121.62 2puy n ASP 504 Ca 0.02 -0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.47 2puy n ASP 504 Cb 0.43 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 2puy n ASP 504 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2puy n THR 505 N -1.31 0.04 -3.91 -3.53 -2.24 -1.26 -5.04 114.28 97.02 2puy n THR 505 Ca 0.13 -0.41 -0.11 0.00 -2.27 0.00 0.00 64.05 61.38 2puy n THR 505 Cb 0.25 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 2puy n THR 505 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2puy n SER 507 N -1.48 0.00 -4.78 0.00 7.64 -1.26 -4.37 113.62 109.38 2puy n SER 507 Ca -0.05 -0.17 -0.35 0.00 1.01 0.00 0.00 58.87 59.31 2puy n SER 507 Cb 0.60 -0.27 -0.00 0.00 -1.01 0.00 0.00 64.21 63.53 2puy n SER 507 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2puy s ARG 508 N -2.55 3.42 0.07 1.43 0.52 -1.26 -0.60 118.95 119.99 2puy s ARG 508 Ca 0.29 1.52 0.03 0.00 -0.52 0.00 0.00 55.73 57.05 2puy s ARG 508 Cb 0.20 -2.02 -0.03 0.00 0.52 0.00 0.00 34.95 33.62 2puy s ARG 508 CO 0.45 -0.78 -0.09 0.14 0.02 0.00 0.00 175.30 175.04 2puy s VAL 509 N -1.89 0.74 -0.04 3.52 -7.23 -1.26 -1.68 120.40 112.56 2puy s VAL 509 Ca 0.71 -1.46 -0.06 0.00 -1.81 0.00 0.00 61.98 59.36 2puy s VAL 509 Cb -0.22 -1.11 0.01 0.00 0.56 0.00 0.00 36.38 35.62 2puy s VAL 509 CO 0.27 -0.53 0.16 -0.31 -0.31 0.00 0.00 175.10 174.37 2puy s TYR 510 N -2.19 -0.11 0.43 2.82 1.51 -0.29 -0.74 117.35 118.77 2puy s TYR 510 Ca 0.00 0.26 -0.24 0.00 -1.01 0.00 0.00 57.07 56.08 2puy s TYR 510 Cb -0.04 0.03 -0.08 0.00 -0.11 0.00 0.00 41.96 41.75 2puy s TYR 510 CO -0.01 -0.16 1.17 -1.01 -1.11 0.00 0.00 175.55 174.43 2puy s HIS 511 N -0.40 2.98 0.33 2.71 3.76 -1.26 -0.06 115.29 123.35 2puy s HIS 511 Ca -0.05 1.54 0.00 0.00 -0.15 0.00 0.00 55.06 56.41 2puy s HIS 511 Cb -0.03 -3.39 0.55 0.00 1.11 0.00 0.00 32.58 30.82 2puy s HIS 511 CO 0.01 -1.40 1.99 -0.07 -0.85 0.00 0.00 174.74 174.42 2puy h LEU 512 N 2.36 0.82 0.00 0.89 3.38 -1.90 -1.15 115.31 119.73 2puy h LEU 512 Ca -0.49 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2puy h LEU 512 Cb 1.24 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2puy h LEU 512 CO 0.61 0.60 0.00 0.47 0.09 0.00 0.00 178.44 180.21 2puy n ASP 513 N -4.43 0.00 -0.72 -0.43 8.00 -1.26 -1.21 116.55 116.50 2puy n ASP 513 Ca 0.08 0.13 0.13 0.00 0.71 0.00 0.00 54.79 55.83 2puy n ASP 513 Cb 0.03 -0.36 0.32 0.00 -0.02 0.00 0.00 41.12 41.10 2puy n ASP 513 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2puy s LEU 515 N -1.94 3.21 -0.28 0.00 1.43 -1.11 -4.95 118.68 115.04 2puy s LEU 515 Ca 0.34 0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.61 2puy s LEU 515 Cb 0.20 -2.97 0.07 0.00 0.03 0.00 0.00 46.19 43.52 2puy s LEU 515 CO 0.31 -1.19 -0.07 -1.81 0.23 0.00 0.00 176.35 173.82 2puy s ASP 516 N -4.42 4.51 0.81 2.29 1.01 -1.26 -1.87 116.67 117.75 2puy s ASP 516 Ca 0.57 -1.57 -0.12 0.00 0.71 0.00 0.00 52.55 52.14 2puy s ASP 516 Cb -0.10 -1.56 0.08 0.00 1.01 0.00 0.00 42.92 42.35 2puy s ASP 516 CO 0.40 -0.23 1.18 -2.16 0.21 0.00 0.00 175.17 174.56 2puy s PRO 517 N 1.06 1.92 0.22 8.23 0.04 -1.26 -5.05 135.00 140.16 2puy s PRO 517 Ca -0.04 0.08 -0.32 0.00 0.04 0.00 0.00 61.00 60.76 2puy s PRO 517 Cb -0.20 -1.95 -0.12 0.00 0.04 0.00 0.00 34.50 32.27 2puy s PRO 517 CO -0.06 -1.62 1.70 -2.14 0.04 0.00 0.00 177.00 174.92 2puy s PRO 518 N -5.58 4.13 0.16 0.56 0.02 -0.78 -4.92 135.00 128.59 2puy s PRO 518 Ca 0.62 2.59 -0.28 0.00 0.02 0.00 0.00 61.00 63.96 2puy s PRO 518 Cb -0.11 -3.07 -0.07 0.00 0.02 0.00 0.00 34.50 31.27 2puy s PRO 518 CO 0.49 -0.73 0.88 -0.51 -0.33 0.00 0.00 177.00 176.80 2puy s LEU 519 N 0.92 4.57 0.00 -5.54 1.43 -0.35 -4.93 118.68 114.78 2puy s LEU 519 Ca 0.73 1.77 0.21 0.00 -1.03 0.00 0.00 54.13 55.80 2puy s LEU 519 Cb -0.49 -3.48 0.28 0.00 0.03 0.00 0.00 46.19 42.53 2puy s LEU 519 CO 0.34 0.09 1.26 0.29 0.23 0.00 0.00 176.35 178.56 2puy n LYS 520 N 2.03 2.16 -3.76 1.70 4.76 -1.26 -4.56 118.16 119.22 2puy n LYS 520 Ca -0.02 -1.98 -0.10 0.00 -2.87 0.00 0.00 58.31 53.34 2puy n LYS 520 Cb 0.48 -1.43 -0.07 0.00 -1.84 0.00 0.00 35.03 32.18 2puy n LYS 520 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2puy s THR 521 N -1.53 0.10 -0.29 -0.18 -1.32 -1.26 -5.12 115.64 106.03 2puy s THR 521 Ca 0.30 -0.85 -0.21 0.00 -1.21 0.00 0.00 61.69 59.72 2puy s THR 521 Cb 0.19 -1.16 -0.01 0.00 -1.51 0.00 0.00 72.50 70.01 2puy s THR 521 CO 0.27 -0.47 0.65 -0.63 -2.21 0.00 0.00 174.62 172.23 2puy s ILE 522 N -3.43 4.93 0.27 5.08 1.01 -1.26 -5.01 121.20 122.79 2puy s ILE 522 Ca 0.01 0.97 -0.27 0.00 0.00 0.00 0.00 60.65 61.36 2puy s ILE 522 Cb 0.02 -4.00 -0.15 0.00 0.01 0.00 0.00 42.46 38.34 2puy s ILE 522 CO -0.09 -0.12 0.75 -2.65 0.00 0.00 0.00 174.94 172.84 2puy n PRO 523 N 5.89 0.73 -0.03 2.79 -0.02 -1.26 -4.91 135.00 138.18 2puy n PRO 523 Ca -0.00 0.26 -0.14 0.00 -2.02 0.00 0.00 63.50 61.59 2puy n PRO 523 Cb 0.49 -1.47 -0.11 0.00 -0.02 0.00 0.00 33.50 32.38 2puy n PRO 523 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2puy h LYS 524 N 1.44 0.12 0.00 -0.52 3.64 -2.06 -3.47 116.57 115.72 2puy h LYS 524 Ca -0.35 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2puy h LYS 524 Cb 1.39 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.24 2puy h LYS 524 CO 0.58 0.83 0.00 0.41 -2.27 0.00 0.00 179.45 179.00 2puy n GLY 525 N 0.93 1.78 3.77 5.01 0.00 -1.26 -5.04 105.19 110.38 2puy n GLY 525 Ca -0.09 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 2puy n GLY 525 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2puy s MET 526 N 3.63 4.18 -0.08 1.61 1.75 -1.26 -5.02 119.30 124.12 2puy s MET 526 Ca 0.00 2.47 0.01 0.00 -1.25 0.00 0.00 55.69 56.91 2puy s MET 526 Cb 0.00 -3.01 0.02 0.00 2.84 0.00 0.00 34.83 34.68 2puy s MET 526 CO 0.00 -0.45 -0.07 -0.46 -0.65 0.00 0.00 175.02 173.39 2puy s TRP 527 N -0.98 1.19 -0.21 4.11 -0.00 -1.26 -5.07 118.94 116.72 2puy s TRP 527 Ca 0.53 -0.48 -0.04 0.00 -0.00 0.00 0.00 56.10 56.11 2puy s TRP 527 Cb -0.45 -0.99 -0.01 0.00 -0.00 0.00 0.00 33.47 32.02 2puy s TRP 527 CO 0.58 -0.34 -0.03 0.42 -0.00 0.00 0.00 176.95 177.58 2puy s ILE 528 N 1.25 3.56 0.92 5.86 1.01 -1.26 -1.54 121.20 131.00 2puy s ILE 528 Ca -0.05 -0.44 -0.11 0.00 0.00 0.00 0.00 60.65 60.06 2puy s ILE 528 Cb -0.14 -2.61 0.14 0.00 0.01 0.00 0.00 42.46 39.86 2puy s ILE 528 CO -0.02 0.42 1.09 0.00 0.00 0.00 0.00 174.94 176.43 2puy h PRO 530 N -1.73 0.75 -0.33 0.00 0.11 -1.99 -0.59 132.00 128.23 2puy h PRO 530 Ca -0.49 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.43 2puy h PRO 530 Cb 1.28 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2puy h PRO 530 CO 0.50 0.50 -0.38 0.00 -0.21 0.00 0.00 178.00 178.41 2puy h ARG 531 N 0.78 0.79 -0.31 1.05 2.47 -1.99 -1.38 114.38 115.78 2puy h ARG 531 Ca 0.39 -0.40 -0.13 0.00 -1.26 0.00 0.00 59.98 58.57 2puy h ARG 531 Cb 0.47 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.79 2puy h ARG 531 CO -0.16 1.03 -0.35 0.00 0.56 0.00 0.00 179.97 181.05 2puy h GLN 533 N 0.59 0.83 -0.49 0.00 1.08 -0.98 -0.92 115.11 115.23 2puy h GLN 533 Ca 0.06 -0.07 -0.06 0.00 -1.45 0.00 0.00 58.65 57.13 2puy h GLN 533 Cb 0.88 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 2puy h GLN 533 CO 0.08 0.59 0.07 0.22 -0.95 0.00 0.00 178.83 178.83 2puy h ASP 534 N 0.84 0.78 -0.43 1.46 -0.00 -1.04 -2.20 116.42 115.83 2puy h ASP 534 Ca 0.22 -0.27 0.02 0.00 -0.00 0.00 0.00 57.03 57.01 2puy h ASP 534 Cb -0.04 -0.21 -0.03 0.00 -0.00 0.00 0.00 39.33 39.05 2puy h ASP 534 CO -0.04 0.85 0.24 -0.61 -0.00 0.00 0.00 179.24 179.68 2puy h GLN 535 N 0.69 0.47 -0.44 0.28 5.75 -0.59 0.05 115.11 121.31 2puy h GLN 535 Ca 0.15 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.63 2puy h GLN 535 Cb 0.41 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.83 2puy h GLN 535 CO 0.01 0.31 0.27 0.52 -2.65 0.00 0.00 178.83 177.29 2puy h MET 536 N 0.48 0.54 -0.56 1.69 2.86 -1.07 -1.85 114.93 117.02 2puy h MET 536 Ca 0.18 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2puy h MET 536 Cb 0.04 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 2puy h MET 536 CO -0.10 0.36 0.34 1.25 1.06 0.00 0.00 176.91 179.81 2puy h LEU 537 N 0.55 0.67 -1.23 1.22 5.85 -0.90 -2.59 115.31 118.88 2puy h LEU 537 Ca 0.17 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 2puy h LEU 537 Cb -0.02 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 2puy h LEU 537 CO -0.06 0.54 0.37 0.11 -0.34 0.00 0.00 178.44 179.05 2puy h LYS 538 N 0.75 0.89 -0.73 1.25 1.57 -0.66 -1.28 116.57 118.36 2puy h LYS 538 Ca 0.20 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 2puy h LYS 538 Cb -0.01 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 2puy h LYS 538 CO -0.04 0.65 0.29 0.87 -0.57 0.00 0.00 179.45 180.65 2puy h LYS 539 N 0.90 1.08 -0.17 3.15 1.57 -0.97 -2.50 116.57 119.63 2puy h LYS 539 Ca 0.23 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2puy h LYS 539 Cb 0.00 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 2puy h LYS 539 CO -0.04 0.88 -0.11 0.93 -0.57 0.00 0.00 179.45 180.53 2puy h GLU 540 N 1.06 0.37 0.00 3.15 4.39 -1.13 -1.32 114.58 121.10 2puy h GLU 540 Ca 0.24 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2puy h GLU 540 Cb 0.20 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2puy h GLU 540 CO -0.02 0.71 0.00 0.39 -1.16 0.00 0.00 179.01 178.93 2puy n GLU 541 N -4.57 0.10 -0.00 2.33 -0.58 -0.54 -1.97 120.64 115.41 2puy n GLU 541 Ca -0.06 0.50 0.05 0.00 -0.42 0.00 0.00 57.16 57.24 2puy n GLU 541 Cb 0.33 -1.78 -0.07 0.00 -0.57 0.00 0.00 31.44 29.35 2puy n GLU 541 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2puy n ALA 542 N -1.68 2.83 1.61 0.62 0.00 -0.96 -5.09 120.51 117.85 2puy n ALA 542 Ca 0.00 -0.28 0.14 0.00 0.00 0.00 0.00 53.44 53.31 2puy n ALA 542 Cb 0.09 -0.38 0.62 0.00 0.00 0.00 0.00 19.45 19.79 2puy n ALA 542 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94