#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4g h PRO 517 N 0.00 0.58 0.00 1.97 0.13 -2.05 -3.33 132.00 129.30 1r4g h PRO 517 Ca 0.00 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1r4g h PRO 517 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1r4g h PRO 517 CO 0.00 0.97 0.00 0.25 -0.23 0.00 0.00 178.00 178.99 1r4g n THR 518 N -4.30 0.00 -0.06 1.56 -2.24 -1.26 0.99 114.28 108.97 1r4g n THR 518 Ca -0.06 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.59 1r4g n THR 518 Cb 0.50 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.61 1r4g n THR 518 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1r4g h MET 519 N 0.00 -0.00 -0.38 -0.78 2.86 -2.01 -2.94 114.93 111.68 1r4g h MET 519 Ca 0.00 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1r4g h MET 519 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1r4g h MET 519 CO 0.00 0.88 0.05 1.25 1.06 0.00 0.00 176.91 180.15 1r4g h HIS 520 N -0.91 0.60 -0.39 -0.22 6.17 4.97 -2.56 115.15 122.81 1r4g h HIS 520 Ca -0.00 -0.05 -0.01 0.00 0.71 0.00 0.00 60.37 61.02 1r4g h HIS 520 Cb 0.89 -0.18 -0.02 0.00 2.52 0.00 0.00 27.41 30.62 1r4g h HIS 520 CO 0.24 0.55 0.22 0.77 0.71 0.00 0.00 177.93 180.42 1r4g h SER 521 N 0.56 0.47 -0.37 3.26 0.02 -1.38 0.14 113.55 116.25 1r4g h SER 521 Ca 0.13 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1r4g h SER 521 Cb 0.28 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 1r4g h SER 521 CO 0.00 0.41 0.20 0.25 -1.14 0.00 0.00 176.83 176.55 1r4g h LEU 522 N 0.50 0.47 -0.68 5.07 5.85 -1.29 0.15 115.31 125.38 1r4g h LEU 522 Ca 0.14 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1r4g h LEU 522 Cb 0.03 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1r4g h LEU 522 CO -0.02 0.43 0.44 0.03 -0.34 0.00 0.00 178.44 178.97 1r4g h ARG 523 N 0.47 0.89 -0.56 1.25 3.08 -1.25 -1.09 114.38 117.18 1r4g h ARG 523 Ca 0.13 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.15 1r4g h ARG 523 Cb 0.06 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 29.87 1r4g h ARG 523 CO -0.02 0.60 0.33 1.25 -1.07 0.00 0.00 179.97 181.06 1r4g h LEU 524 N 0.92 0.52 -0.43 3.04 5.85 -0.00 0.15 115.31 125.36 1r4g h LEU 524 Ca 0.25 0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.04 1r4g h LEU 524 Cb -0.09 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 1r4g h LEU 524 CO -0.05 0.36 0.12 0.58 -0.34 0.00 0.00 178.44 179.11 1r4g h VAL 525 N 0.64 0.82 -0.61 1.05 2.07 -0.02 0.31 116.25 120.51 1r4g h VAL 525 Ca 0.23 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.61 1r4g h VAL 525 Cb 0.06 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1r4g h VAL 525 CO -0.12 0.05 0.20 0.40 0.02 0.00 0.00 177.57 178.12 1r4g h ILE 526 N 0.27 1.24 -0.40 4.57 2.04 -0.30 -1.82 117.51 123.11 1r4g h ILE 526 Ca 0.20 -0.82 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 1r4g h ILE 526 Cb 0.23 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 1r4g h ILE 526 CO -0.24 0.31 -0.01 -0.33 0.00 0.00 0.00 178.15 177.89 1r4g h GLU 527 N 0.87 0.65 -0.34 2.37 5.08 0.17 -2.83 114.58 120.55 1r4g h GLU 527 Ca 0.20 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1r4g h GLU 527 Cb 0.28 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1r4g h GLU 527 CO -0.01 0.68 0.09 0.77 -1.00 0.00 0.00 179.01 179.54 1r4g h SER 528 N 0.61 0.51 -4.11 1.42 0.02 0.03 -3.42 113.55 108.61 1r4g h SER 528 Ca 0.12 -0.22 -0.51 0.00 -0.84 0.00 0.00 61.79 60.35 1r4g h SER 528 Cb 0.40 -0.13 0.08 0.00 0.14 0.00 0.00 62.40 62.89 1r4g h SER 528 CO 0.02 0.60 0.43 -0.94 -1.14 0.00 0.00 176.83 175.79 1r4g s SER 529 N -5.89 5.55 0.00 3.07 1.04 -0.72 -5.03 113.70 111.72 1r4g s SER 529 Ca -0.13 2.17 0.00 0.00 0.48 0.00 0.00 55.95 58.47 1r4g s SER 529 Cb 0.09 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.63 1r4g s SER 529 CO 0.75 -1.34 0.00 -0.81 0.98 0.00 0.00 173.24 172.83 1r4g n PRO 530 N -1.53 0.00 -0.77 4.02 -0.04 -1.26 -4.90 135.00 130.52 1r4g n PRO 530 Ca 0.12 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.63 1r4g n PRO 530 Cb 0.51 -0.12 -0.03 0.00 -0.04 0.00 0.00 33.50 33.82 1r4g n PRO 530 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1r4g n LEU 531 N 0.00 -0.67 0.00 1.53 4.32 -1.26 -4.91 117.00 116.01 1r4g n LEU 531 Ca 0.00 1.35 0.00 0.00 -0.02 0.00 0.00 56.01 57.34 1r4g n LEU 531 Cb 0.00 -1.39 0.00 0.00 -1.62 0.00 0.00 43.42 40.41 1r4g n LEU 531 CO 0.00 -0.83 0.00 -0.24 -1.22 0.00 0.00 177.39 175.10 1r4g n SER 532 N -2.75 0.00 0.26 -1.43 2.88 -1.26 -4.82 113.62 106.50 1r4g n SER 532 Ca -0.03 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.36 1r4g n SER 532 Cb 0.31 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.69 1r4g n SER 532 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1r4g h ARG 533 N 0.00 -0.63 0.23 -1.46 3.08 -1.98 0.00 114.38 113.62 1r4g h ARG 533 Ca 0.00 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1r4g h ARG 533 Cb 0.00 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1r4g h ARG 533 CO 0.00 -0.35 -0.11 0.00 -1.07 0.00 0.00 179.97 178.44 1r4g h ALA 534 N -0.39 -0.30 0.20 0.04 0.00 -1.98 -2.10 119.26 114.73 1r4g h ALA 534 Ca -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1r4g h ALA 534 Cb 0.57 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1r4g h ALA 534 CO 0.11 -0.54 -0.09 0.93 0.00 0.00 0.00 179.25 179.66 1r4g h GLU 535 N -0.57 -0.26 -0.12 0.00 4.39 -1.96 0.94 114.58 117.00 1r4g h GLU 535 Ca -0.03 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.72 1r4g h GLU 535 Cb 0.42 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 1r4g h GLU 535 CO 0.05 -0.08 -0.07 -0.22 -1.16 0.00 0.00 179.01 177.54 1r4g h LYS 536 N -0.38 -0.06 0.49 2.33 1.63 -1.08 -2.67 116.57 116.82 1r4g h LYS 536 Ca -0.03 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1r4g h LYS 536 Cb 0.30 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 1r4g h LYS 536 CO 0.04 -0.04 -0.26 0.00 -3.45 0.00 0.00 179.45 175.75 1r4g h ALA 537 N 1.05 -0.69 -0.04 5.00 0.00 -1.31 -2.45 119.26 120.82 1r4g h ALA 537 Ca 0.07 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1r4g h ALA 537 Cb 0.17 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1r4g h ALA 537 CO -0.16 -0.89 -0.18 0.00 0.00 0.00 0.00 179.25 178.02 1r4g h ALA 538 N -0.18 -0.58 -0.11 0.00 0.00 -0.67 0.76 119.26 118.47 1r4g h ALA 538 Ca -0.06 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1r4g h ALA 538 Cb 0.54 0.72 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1r4g h ALA 538 CO 0.09 -0.65 0.00 -0.92 0.00 0.00 0.00 179.25 177.78 1r4g h TYR 539 N -0.19 0.00 -0.68 0.00 3.20 -1.58 -0.89 116.97 116.83 1r4g h TYR 539 Ca 0.01 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.94 1r4g h TYR 539 Cb 0.22 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.46 1r4g h TYR 539 CO -0.49 -0.01 0.40 0.28 -1.64 0.00 0.00 178.16 176.71 1r4g h VAL 540 N 0.04 1.02 -0.23 1.81 2.07 -1.32 0.23 116.25 119.88 1r4g h VAL 540 Ca 0.05 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1r4g h VAL 540 Cb 0.06 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1r4g h VAL 540 CO -0.08 0.14 0.04 0.11 0.02 0.00 0.00 177.57 177.80 1r4g h LYS 541 N 0.76 0.38 -0.87 1.57 6.56 -0.64 0.85 116.57 125.18 1r4g h LYS 541 Ca 0.29 -0.10 0.08 0.00 -1.06 0.00 0.00 60.65 59.86 1r4g h LYS 541 Cb 0.12 -0.05 -0.07 0.00 -0.57 0.00 0.00 32.23 31.67 1r4g h LYS 541 CO -0.15 0.52 0.53 0.77 -2.06 0.00 0.00 179.45 179.06 1r4g h SER 542 N 0.19 0.81 -0.25 0.86 0.02 -0.55 0.06 113.55 114.68 1r4g h SER 542 Ca 0.07 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1r4g h SER 542 Cb 0.32 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1r4g h SER 542 CO 0.00 0.49 0.07 0.25 -1.14 0.00 0.00 176.83 176.51 1r4g h LEU 543 N 0.93 0.37 -1.10 5.07 5.85 -0.31 -2.60 115.31 123.52 1r4g h LEU 543 Ca 0.40 -0.21 0.13 0.00 0.84 0.00 0.00 57.88 59.03 1r4g h LEU 543 Cb 0.27 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.12 1r4g h LEU 543 CO -0.21 0.49 0.61 -1.28 -0.34 0.00 0.00 178.44 177.71 1r4g h SER 544 N 0.24 0.84 0.00 1.25 0.87 0.37 -1.20 113.55 115.92 1r4g h SER 544 Ca 0.08 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1r4g h SER 544 Cb 0.25 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1r4g h SER 544 CO -0.00 0.44 0.00 0.29 -0.53 0.00 0.00 176.83 177.03 1r4g n LYS 545 N -4.60 0.46 -0.23 2.24 4.76 -0.11 -4.86 118.16 115.82 1r4g n LYS 545 Ca 0.18 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.31 1r4g n LYS 545 Cb 0.39 -1.14 0.30 0.00 -1.84 0.00 0.00 35.03 32.74 1r4g n LYS 545 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1r4g n LYS 547 N -5.88 0.00 0.00 0.00 4.81 -1.26 -5.12 118.16 110.70 1r4g n LYS 547 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1r4g n LYS 547 Cb 0.61 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.66 1r4g n LYS 547 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1r4g n THR 548 N -2.94 0.00 0.00 3.15 -2.24 -1.26 -5.11 114.28 105.88 1r4g n THR 548 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1r4g n THR 548 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1r4g n THR 548 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1r4g n ASP 549 N 0.00 2.08 -0.30 3.42 9.92 -1.26 -4.66 116.55 125.76 1r4g n ASP 549 Ca 0.00 0.00 -0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1r4g n ASP 549 Cb 0.00 0.00 0.13 0.00 -0.64 0.00 0.00 41.12 40.61 1r4g n ASP 549 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1r4g h GLN 550 N 0.00 0.94 -0.22 -1.24 7.50 -1.99 0.15 115.11 120.24 1r4g h GLN 550 Ca 0.00 -0.06 -0.05 0.00 0.50 0.00 0.00 58.65 59.04 1r4g h GLN 550 Cb 0.70 -0.21 -0.01 0.00 0.05 0.00 0.00 27.48 28.01 1r4g h GLN 550 CO 0.00 0.62 -0.07 0.93 -1.50 0.00 0.00 178.83 178.81 1r4g h GLU 551 N 0.96 0.44 -0.82 1.46 4.39 -2.00 -2.03 114.58 116.98 1r4g h GLU 551 Ca 0.36 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.86 1r4g h GLU 551 Cb 0.13 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 1r4g h GLU 551 CO -0.16 0.69 0.44 0.28 -1.16 0.00 0.00 179.01 179.10 1r4g h VAL 552 N 0.16 1.24 -0.76 3.13 2.07 -1.70 -1.47 116.25 118.92 1r4g h VAL 552 Ca 0.05 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1r4g h VAL 552 Cb 0.54 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 1r4g h VAL 552 CO 0.02 0.28 0.38 0.50 0.02 0.00 0.00 177.57 178.77 1r4g h LYS 553 N 1.15 1.09 -0.84 1.57 3.11 -0.61 0.19 116.57 122.24 1r4g h LYS 553 Ca 0.29 -0.15 0.01 0.00 -2.81 0.00 0.00 60.65 57.99 1r4g h LYS 553 Cb 0.04 -0.20 -0.04 0.00 -1.00 0.00 0.00 32.23 31.03 1r4g h LYS 553 CO -0.05 0.84 0.55 0.00 -2.81 0.00 0.00 179.45 177.99 1r4g h ALA 554 N 1.19 1.06 -0.53 5.00 0.00 -0.53 0.19 119.26 125.65 1r4g h ALA 554 Ca 0.26 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1r4g h ALA 554 Cb 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1r4g h ALA 554 CO -0.04 0.47 -0.08 0.28 0.00 0.00 0.00 179.25 179.88 1r4g h VAL 555 N 1.13 1.26 -0.59 0.00 2.07 -0.64 -2.33 116.25 117.16 1r4g h VAL 555 Ca 0.31 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1r4g h VAL 555 Cb -0.13 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1r4g h VAL 555 CO -0.07 0.43 0.38 -0.03 0.02 0.00 0.00 177.57 178.30 1r4g h MET 556 N 0.86 0.78 -0.77 1.57 -1.53 0.27 -0.90 114.93 115.22 1r4g h MET 556 Ca 0.14 -0.06 0.09 0.00 -3.44 0.00 0.00 59.70 56.44 1r4g h MET 556 Cb 0.62 -0.17 -0.05 0.00 -0.55 0.00 0.00 31.60 31.45 1r4g h MET 556 CO 0.04 0.54 0.51 1.49 0.14 0.00 0.00 176.91 179.62 1r4g h GLU 557 N 0.80 0.69 -0.11 0.39 4.81 -0.33 -0.39 114.58 120.44 1r4g h GLU 557 Ca 0.21 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1r4g h GLU 557 Cb -0.06 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 1r4g h GLU 557 CO -0.04 0.45 0.01 1.25 -0.73 0.00 0.00 179.01 179.95 1r4g h LEU 558 N 0.71 -0.01 -0.72 1.64 6.46 -0.64 -1.91 115.31 120.84 1r4g h LEU 558 Ca 0.35 0.02 0.16 0.00 -0.12 0.00 0.00 57.88 58.29 1r4g h LEU 558 Cb 0.44 0.03 -0.11 0.00 -0.73 0.00 0.00 40.66 40.29 1r4g h LEU 558 CO -0.13 0.01 0.13 0.58 -0.62 0.00 0.00 178.44 178.41 1r4g h VAL 559 N 0.06 0.50 -0.06 1.05 2.07 -0.69 0.17 116.25 119.34 1r4g h VAL 559 Ca 0.05 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1r4g h VAL 559 Cb 0.05 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1r4g h VAL 559 CO -0.08 0.04 0.02 -0.33 0.02 0.00 0.00 177.57 177.24 1r4g h GLU 560 N 0.23 0.05 -0.58 1.57 5.08 -1.04 -2.54 114.58 117.34 1r4g h GLU 560 Ca 0.40 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.68 1r4g h GLU 560 Cb 0.68 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1r4g h GLU 560 CO -0.52 0.03 0.05 0.93 -1.00 0.00 0.00 179.01 178.50 1r4g h GLU 561 N 0.05 1.00 -0.77 2.33 4.39 -0.55 -2.73 114.58 118.30 1r4g h GLU 561 Ca 0.03 -0.29 0.12 0.00 0.34 0.00 0.00 59.36 59.55 1r4g h GLU 561 Cb 0.01 -0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 28.48 1r4g h GLU 561 CO -0.03 0.96 0.38 0.22 -1.16 0.00 0.00 179.01 179.38 1r4g h ASP 562 N 0.89 0.46 -0.23 1.42 3.58 -0.48 -0.60 116.42 121.47 1r4g h ASP 562 Ca 0.17 0.08 -0.14 0.00 0.42 0.00 0.00 57.03 57.56 1r4g h ASP 562 Cb 0.48 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.53 1r4g h ASP 562 CO 0.02 0.23 -0.39 0.40 -2.88 0.00 0.00 179.24 176.62 1r4g h ILE 563 N 0.59 1.32 0.00 2.25 2.04 -1.34 0.83 117.51 123.20 1r4g h ILE 563 Ca 0.40 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.66 1r4g h ILE 563 Cb 0.50 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1r4g h ILE 563 CO -0.32 0.50 0.00 -0.62 0.00 0.00 0.00 178.15 177.71 1r4g n GLU 564 N -4.23 0.00 -0.10 2.37 -0.58 -0.59 0.07 120.64 117.58 1r4g n GLU 564 Ca -0.05 0.38 -0.14 0.00 -0.42 0.00 0.00 57.16 56.93 1r4g n GLU 564 Cb 0.53 -1.51 -0.05 0.00 -0.57 0.00 0.00 31.44 29.84 1r4g n GLU 564 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1r4g n SER 565 N -1.52 1.93 -0.30 1.62 7.64 -0.33 -3.61 113.62 119.05 1r4g n SER 565 Ca 0.02 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.25 1r4g n SER 565 Cb 0.08 -0.77 0.13 0.00 -1.01 0.00 0.00 64.21 62.64 1r4g n SER 565 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1r4g h LEU 566 N -1.00 0.83 -6.92 -3.43 6.46 -0.75 -3.27 115.31 107.24 1r4g h LEU 566 Ca -0.18 0.01 -0.61 0.00 -0.12 0.00 0.00 57.88 56.98 1r4g h LEU 566 Cb 1.13 -0.16 -0.41 0.00 -0.73 0.00 0.00 40.66 40.48 1r4g h LEU 566 CO -0.11 0.54 -0.65 0.41 -0.62 0.00 0.00 178.44 178.01 1r4g n THR 567 N -4.62 1.13 1.88 1.05 -1.04 0.11 -5.08 114.28 107.71 1r4g n THR 567 Ca 0.12 -4.61 0.15 0.00 -2.04 0.00 0.00 64.05 57.66 1r4g n THR 567 Cb 0.16 -2.09 0.89 0.00 -1.82 0.00 0.00 70.33 67.48 1r4g n THR 567 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23