#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4g s PRO 517 N 0.00 3.20 0.48 1.97 0.04 -1.26 -4.78 135.00 134.65 1r4g s PRO 517 Ca 0.00 -0.70 0.02 0.00 0.04 0.00 0.00 61.00 60.36 1r4g s PRO 517 Cb 0.00 -5.11 -0.01 0.00 0.04 0.00 0.00 34.50 29.42 1r4g s PRO 517 CO 0.00 -2.58 0.07 0.95 0.04 0.00 0.00 177.00 175.48 1r4g s THR 518 N 6.78 0.82 0.01 1.26 -4.23 -1.26 -5.02 115.64 113.99 1r4g s THR 518 Ca 0.53 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.80 1r4g s THR 518 Cb -0.03 -2.17 -0.18 0.00 1.34 0.00 0.00 72.50 71.46 1r4g s THR 518 CO -0.03 0.00 1.36 0.24 -0.54 0.00 0.00 174.62 175.65 1r4g h MET 519 N 1.50 0.06 0.00 3.99 2.86 -1.99 -2.07 114.93 119.28 1r4g h MET 519 Ca -0.40 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.19 1r4g h MET 519 Cb 1.30 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.96 1r4g h MET 519 CO 0.65 0.45 -0.12 0.45 1.06 0.00 0.00 176.91 179.39 1r4g h HIS 520 N -0.33 0.00 0.14 -0.22 3.86 -1.97 0.58 115.15 117.21 1r4g h HIS 520 Ca 0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1r4g h HIS 520 Cb 0.43 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.90 1r4g h HIS 520 CO 0.06 0.12 -0.07 1.03 0.86 0.00 0.00 177.93 179.94 1r4g h SER 521 N 0.00 -0.16 -0.35 2.45 0.87 -1.81 0.15 113.55 114.69 1r4g h SER 521 Ca -0.00 -0.18 0.05 0.00 -1.23 0.00 0.00 61.79 60.42 1r4g h SER 521 Cb 0.22 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.18 1r4g h SER 521 CO 0.02 0.09 0.09 0.25 -0.53 0.00 0.00 176.83 176.75 1r4g h LEU 522 N -0.42 0.06 -0.41 2.23 6.46 -0.79 0.15 115.31 122.59 1r4g h LEU 522 Ca -0.02 0.05 0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1r4g h LEU 522 Cb 0.34 0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.29 1r4g h LEU 522 CO 0.03 0.07 0.24 -0.09 -0.62 0.00 0.00 178.44 178.08 1r4g h ARG 523 N 0.23 0.48 -0.99 1.25 2.43 -0.79 -0.31 114.38 116.68 1r4g h ARG 523 Ca 0.16 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1r4g h ARG 523 Cb 0.17 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 1r4g h ARG 523 CO -0.19 0.32 0.66 -0.07 -1.51 0.00 0.00 179.97 179.17 1r4g h LEU 524 N 0.49 1.12 0.46 3.80 3.38 0.11 0.16 115.31 124.83 1r4g h LEU 524 Ca 0.16 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1r4g h LEU 524 Cb -0.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1r4g h LEU 524 CO -0.07 0.79 -0.24 0.58 0.09 0.00 0.00 178.44 179.60 1r4g h VAL 525 N 1.31 0.51 -0.12 1.22 2.07 -0.09 -0.57 116.25 120.58 1r4g h VAL 525 Ca 0.38 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.91 1r4g h VAL 525 Cb -0.10 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1r4g h VAL 525 CO -0.10 0.00 0.02 0.40 0.02 0.00 0.00 177.57 177.91 1r4g h ILE 526 N -0.65 0.95 -0.02 4.57 2.04 -0.56 -2.82 117.51 121.02 1r4g h ILE 526 Ca -0.06 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.78 1r4g h ILE 526 Cb 0.51 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1r4g h ILE 526 CO 0.09 0.01 0.02 -0.33 0.00 0.00 0.00 178.15 177.94 1r4g h GLU 527 N 0.07 0.00 0.00 2.37 5.08 -0.57 -3.37 114.58 118.16 1r4g h GLU 527 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1r4g h GLU 527 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1r4g h GLU 527 CO -0.07 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.81 1r4g n SER 528 N -4.29 0.00 -0.04 1.42 3.41 -0.24 -4.93 113.62 108.95 1r4g n SER 528 Ca -0.02 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1r4g n SER 528 Cb 0.11 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.95 1r4g n SER 528 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1r4g n SER 529 N 0.00 1.72 0.03 4.04 7.64 -1.26 -4.78 113.62 121.01 1r4g n SER 529 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 1r4g n SER 529 Cb 0.00 1.20 -0.09 0.00 -1.01 0.00 0.00 64.21 64.31 1r4g n SER 529 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1r4g h PRO 530 N 0.00 -0.56 -7.45 1.43 0.11 -1.77 -3.43 132.00 120.33 1r4g h PRO 530 Ca -0.20 0.04 -0.46 0.00 0.11 0.00 0.00 66.00 65.48 1r4g h PRO 530 Cb 1.30 0.13 0.09 0.00 0.11 0.00 0.00 31.00 32.62 1r4g h PRO 530 CO 0.01 -0.37 0.32 -0.51 -0.21 0.00 0.00 178.00 177.23 1r4g s LEU 531 N -9.68 2.69 0.00 2.35 2.01 -1.26 -5.07 118.68 109.72 1r4g s LEU 531 Ca -0.14 0.64 0.00 0.00 0.01 0.00 0.00 54.13 54.64 1r4g s LEU 531 Cb 0.06 -3.23 0.00 0.00 0.01 0.00 0.00 46.19 43.03 1r4g s LEU 531 CO 0.54 -1.71 0.00 -0.24 1.01 0.00 0.00 176.35 175.95 1r4g n SER 532 N -3.10 0.00 -0.08 2.29 2.88 -1.26 -4.85 113.62 109.50 1r4g n SER 532 Ca 0.08 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.54 1r4g n SER 532 Cb 0.60 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.03 1r4g n SER 532 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1r4g n ARG 533 N 0.00 0.48 -0.02 -1.46 0.63 -1.26 -4.03 116.66 110.99 1r4g n ARG 533 Ca 0.00 0.53 -0.13 0.00 -0.92 0.00 0.00 57.85 57.33 1r4g n ARG 533 Cb 0.00 -1.70 -0.10 0.00 0.45 0.00 0.00 32.46 31.11 1r4g n ARG 533 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1r4g h ALA 534 N -0.90 -0.03 -0.95 5.13 0.00 -1.98 -0.66 119.26 119.86 1r4g h ALA 534 Ca -0.07 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.55 1r4g h ALA 534 Cb 0.68 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1r4g h ALA 534 CO -0.05 -0.19 0.63 0.93 0.00 0.00 0.00 179.25 180.58 1r4g h GLU 535 N -0.69 1.20 0.30 0.00 4.39 -1.97 0.13 114.58 117.95 1r4g h GLU 535 Ca -0.00 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1r4g h GLU 535 Cb 0.64 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1r4g h GLU 535 CO 0.01 0.80 -0.15 -0.22 -1.16 0.00 0.00 179.01 178.29 1r4g h LYS 536 N 1.24 -0.39 -0.13 2.33 3.64 -1.69 0.11 116.57 121.68 1r4g h LYS 536 Ca 0.37 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.82 1r4g h LYS 536 Cb -0.06 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.79 1r4g h LYS 536 CO -0.10 -0.16 -0.23 0.00 -2.27 0.00 0.00 179.45 176.70 1r4g h ALA 537 N 0.07 -0.19 0.23 5.00 0.00 -0.43 0.22 119.26 124.15 1r4g h ALA 537 Ca -0.04 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1r4g h ALA 537 Cb 0.42 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1r4g h ALA 537 CO 0.07 -0.68 -0.29 0.00 0.00 0.00 0.00 179.25 178.35 1r4g h ALA 538 N 0.69 -0.56 0.33 0.00 0.00 -0.72 -1.68 119.26 117.31 1r4g h ALA 538 Ca 0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1r4g h ALA 538 Cb 0.44 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1r4g h ALA 538 CO -0.30 -0.86 -0.16 -0.92 0.00 0.00 0.00 179.25 177.02 1r4g h TYR 539 N -0.57 -0.41 -0.60 0.00 3.20 -0.61 -2.44 116.97 115.54 1r4g h TYR 539 Ca 0.00 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.95 1r4g h TYR 539 Cb 0.55 0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.88 1r4g h TYR 539 CO -0.21 -0.10 0.23 0.28 -1.64 0.00 0.00 178.16 176.73 1r4g h VAL 540 N -0.72 0.79 -0.35 1.81 2.07 -0.60 0.31 116.25 119.56 1r4g h VAL 540 Ca -0.04 -0.15 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 1r4g h VAL 540 Cb 0.49 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1r4g h VAL 540 CO 0.07 0.08 -0.16 0.07 0.02 0.00 0.00 177.57 177.65 1r4g h LYS 541 N 0.42 0.63 -0.50 1.57 -0.00 -1.35 0.11 116.57 117.46 1r4g h LYS 541 Ca 0.30 -0.21 -0.02 0.00 -0.00 0.00 0.00 60.65 60.72 1r4g h LYS 541 Cb 0.35 -0.05 -0.02 0.00 -0.00 0.00 0.00 32.23 32.51 1r4g h LYS 541 CO -0.29 0.76 0.25 1.03 -0.00 0.00 0.00 179.45 181.20 1r4g h SER 542 N 0.57 0.64 -0.38 7.07 0.87 -0.61 0.10 113.55 121.81 1r4g h SER 542 Ca 0.09 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 1r4g h SER 542 Cb 0.59 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 1r4g h SER 542 CO 0.04 0.58 0.14 0.25 -0.53 0.00 0.00 176.83 177.31 1r4g h LEU 543 N 0.66 0.54 -0.68 2.23 6.46 -0.12 -2.61 115.31 121.78 1r4g h LEU 543 Ca 0.17 -0.18 0.07 0.00 -0.12 0.00 0.00 57.88 57.83 1r4g h LEU 543 Cb 0.10 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 39.83 1r4g h LEU 543 CO -0.02 0.57 0.36 -1.28 -0.62 0.00 0.00 178.44 177.45 1r4g h SER 544 N 0.47 0.50 0.00 1.25 0.87 -0.27 -2.28 113.55 114.09 1r4g h SER 544 Ca 0.13 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1r4g h SER 544 Cb 0.21 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1r4g h SER 544 CO -0.01 0.31 0.00 0.29 -0.53 0.00 0.00 176.83 176.89 1r4g n LYS 545 N -4.83 0.26 -3.31 2.24 4.76 0.31 -4.58 118.16 113.02 1r4g n LYS 545 Ca 0.09 0.00 -0.46 0.00 -2.87 0.00 0.00 58.31 55.07 1r4g n LYS 545 Cb 0.22 -1.02 -0.05 0.00 -1.84 0.00 0.00 35.03 32.34 1r4g n LYS 545 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1r4g h LYS 547 N 8.85 0.00 0.00 0.00 3.64 -1.89 -3.44 116.57 123.72 1r4g h LYS 547 Ca -0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1r4g h LYS 547 Cb 1.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1r4g h LYS 547 CO 1.03 0.65 0.00 -2.37 -2.27 0.00 0.00 179.45 176.48 1r4g n THR 548 N -3.60 0.00 -0.05 1.00 5.66 -1.26 -5.09 114.28 110.94 1r4g n THR 548 Ca -0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.88 1r4g n THR 548 Cb 0.68 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.42 1r4g n THR 548 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1r4g n ASP 549 N 0.00 1.02 0.02 1.09 5.75 -1.26 -4.42 116.55 118.75 1r4g n ASP 549 Ca 0.00 0.17 0.18 0.00 -0.01 0.00 0.00 54.79 55.13 1r4g n ASP 549 Cb 0.00 -0.40 0.67 0.00 -1.03 0.00 0.00 41.12 40.36 1r4g n ASP 549 CO 0.00 0.00 0.00 0.06 -0.11 0.00 0.00 177.20 177.15 1r4g h GLN 550 N -0.44 0.04 0.12 0.11 3.07 -1.99 0.16 115.11 116.18 1r4g h GLN 550 Ca -0.24 -0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.49 1r4g h GLN 550 Cb 1.08 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.63 1r4g h GLN 550 CO -0.15 0.02 -0.06 0.93 0.09 0.00 0.00 178.83 179.67 1r4g h GLU 551 N 0.04 -0.15 -0.75 0.06 4.39 -1.96 -2.51 114.58 113.70 1r4g h GLU 551 Ca 0.22 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.99 1r4g h GLU 551 Cb 0.85 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.48 1r4g h GLU 551 CO -0.01 0.32 0.49 0.28 -1.16 0.00 0.00 179.01 178.93 1r4g h VAL 552 N -0.89 1.06 0.38 3.13 2.07 -1.55 -1.63 116.25 118.82 1r4g h VAL 552 Ca -0.02 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1r4g h VAL 552 Cb 0.54 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1r4g h VAL 552 CO 0.03 0.15 -0.27 0.50 0.02 0.00 0.00 177.57 178.00 1r4g h LYS 553 N 0.84 -0.62 -0.67 1.57 3.11 -0.76 0.39 116.57 120.42 1r4g h LYS 553 Ca 0.32 0.04 0.11 0.00 -2.81 0.00 0.00 60.65 58.31 1r4g h LYS 553 Cb 0.18 0.14 -0.08 0.00 -1.00 0.00 0.00 32.23 31.47 1r4g h LYS 553 CO -0.10 -0.42 0.26 0.00 -2.81 0.00 0.00 179.45 176.39 1r4g h ALA 554 N -0.10 0.90 -0.16 5.00 0.00 -0.84 0.25 119.26 124.31 1r4g h ALA 554 Ca -0.04 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1r4g h ALA 554 Cb 0.55 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1r4g h ALA 554 CO 0.01 -0.18 -0.31 -0.24 0.00 0.00 0.00 179.25 178.53 1r4g h VAL 555 N 0.44 1.27 -0.43 0.00 3.04 -1.12 0.93 116.25 120.39 1r4g h VAL 555 Ca 0.35 -1.31 -0.09 0.00 -1.01 0.00 0.00 66.70 64.64 1r4g h VAL 555 Cb 0.46 1.50 -0.01 0.00 -2.01 0.00 0.00 31.29 31.22 1r4g h VAL 555 CO -0.34 0.40 -0.08 0.24 -1.01 0.00 0.00 177.57 176.79 1r4g h MET 556 N 0.27 0.81 -0.58 4.17 2.86 0.67 -2.05 114.93 121.08 1r4g h MET 556 Ca 0.04 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1r4g h MET 556 Cb 0.69 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 1r4g h MET 556 CO 0.05 0.91 0.38 1.49 1.06 0.00 0.00 176.91 180.81 1r4g h GLU 557 N 0.63 0.77 0.20 1.72 4.81 -0.23 -2.71 114.58 119.77 1r4g h GLU 557 Ca 0.11 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1r4g h GLU 557 Cb 0.60 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1r4g h GLU 557 CO 0.04 0.52 -0.29 1.25 -0.73 0.00 0.00 179.01 179.79 1r4g h LEU 558 N 0.79 -0.82 -1.06 1.64 5.85 -0.55 0.43 115.31 121.59 1r4g h LEU 558 Ca 0.21 0.09 0.09 0.00 0.84 0.00 0.00 57.88 59.11 1r4g h LEU 558 Cb -0.08 0.30 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 1r4g h LEU 558 CO -0.05 -0.40 0.63 1.62 -0.34 0.00 0.00 178.44 179.90 1r4g h VAL 559 N -0.56 1.01 0.00 1.05 3.04 -1.15 0.21 116.25 119.85 1r4g h VAL 559 Ca 0.01 -0.36 -0.01 0.00 -1.01 0.00 0.00 66.70 65.33 1r4g h VAL 559 Cb 0.55 -0.13 0.00 0.00 -2.01 0.00 0.00 31.29 29.70 1r4g h VAL 559 CO -0.12 0.19 -0.05 1.05 -1.01 0.00 0.00 177.57 177.63 1r4g h GLU 560 N 1.05 0.04 -0.72 4.17 4.11 -1.18 -2.94 114.58 119.12 1r4g h GLU 560 Ca 0.44 -0.04 -0.07 0.00 0.07 0.00 0.00 59.36 59.77 1r4g h GLU 560 Cb 0.31 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1r4g h GLU 560 CO -0.20 0.83 0.18 0.93 0.07 0.00 0.00 179.01 180.82 1r4g h GLU 561 N -0.74 1.15 -0.52 1.06 5.08 -0.85 -1.69 114.58 118.07 1r4g h GLU 561 Ca -0.01 -0.27 0.09 0.00 -1.00 0.00 0.00 59.36 58.17 1r4g h GLU 561 Cb 0.85 -0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.87 1r4g h GLU 561 CO 0.01 1.01 0.09 0.22 -1.00 0.00 0.00 179.01 179.33 1r4g h ASP 562 N 1.09 -0.03 0.06 1.42 3.58 -0.63 -0.54 116.42 121.37 1r4g h ASP 562 Ca 0.23 0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.77 1r4g h ASP 562 Cb 0.37 0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.56 1r4g h ASP 562 CO 0.00 0.01 -0.03 0.40 -2.88 0.00 0.00 179.24 176.74 1r4g h ILE 563 N 0.22 0.00 -0.36 2.25 2.04 -1.31 -3.32 117.51 117.03 1r4g h ILE 563 Ca 0.26 -0.05 0.14 0.00 1.00 0.00 0.00 64.86 66.22 1r4g h ILE 563 Cb 0.37 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.38 1r4g h ILE 563 CO -0.36 0.00 0.16 -0.62 0.00 0.00 0.00 178.15 177.33 1r4g n GLU 564 N -2.36 -0.02 0.02 2.37 1.02 -0.66 0.70 120.64 121.70 1r4g n GLU 564 Ca -0.01 0.51 -0.11 0.00 -0.02 0.00 0.00 57.16 57.53 1r4g n GLU 564 Cb 0.03 -0.90 -0.06 0.00 -0.02 0.00 0.00 31.44 30.50 1r4g n GLU 564 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1r4g h SER 565 N 0.00 0.00 1.02 1.62 0.02 -1.19 -2.55 113.55 112.47 1r4g h SER 565 Ca 0.29 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1r4g h SER 565 Cb 0.75 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1r4g h SER 565 CO -0.29 0.01 -0.72 0.25 -1.14 0.00 0.00 176.83 174.94 1r4g h LEU 566 N 0.03 0.00 0.00 5.07 5.85 0.14 -3.48 115.31 122.92 1r4g h LEU 566 Ca 0.02 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1r4g h LEU 566 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1r4g h LEU 566 CO -0.03 0.05 0.00 0.35 -0.34 0.00 0.00 178.44 178.48 1r4g n THR 567 N -2.42 0.00 0.76 1.05 -2.24 1.00 -5.12 114.28 107.31 1r4g n THR 567 Ca 0.02 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.86 1r4g n THR 567 Cb 0.49 0.00 0.36 0.00 -2.10 0.00 0.00 70.33 69.08 1r4g n THR 567 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09