#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 2.44 -0.18 1.97 0.04 -1.26 -5.08 135.00 132.94 1r4g s PRO 517 Ca 0.00 1.15 -0.26 0.00 0.04 0.00 0.00 61.00 61.93 1r4g s PRO 517 Cb 0.00 -1.92 0.07 0.00 0.04 0.00 0.00 34.50 32.69 1r4g s PRO 517 CO 0.00 -1.50 0.67 0.95 0.04 0.00 0.00 177.00 177.16 1r4g s THR 518 N -2.87 0.00 0.47 1.26 -4.23 -1.26 -5.04 115.64 103.97 1r4g s THR 518 Ca 0.61 -0.02 0.13 0.00 -1.18 0.00 0.00 61.69 61.23 1r4g s THR 518 Cb -0.17 -0.95 0.28 0.00 1.34 0.00 0.00 72.50 73.00 1r4g s THR 518 CO 0.54 -0.01 2.09 0.24 -0.54 0.00 0.00 174.62 176.94 1r4g h MET 519 N 4.33 0.25 -0.49 3.99 2.86 -2.02 -1.26 114.93 122.59 1r4g h MET 519 Ca -0.28 -0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.47 1r4g h MET 519 Cb 1.16 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 1r4g h MET 519 CO 0.19 0.16 0.35 1.25 1.06 0.00 0.00 176.91 179.93 1r4g h HIS 520 N 0.26 0.08 -0.63 -0.22 -0.00 -1.99 -0.72 115.15 111.93 1r4g h HIS 520 Ca 0.10 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.44 1r4g h HIS 520 Cb 0.09 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.45 1r4g h HIS 520 CO -0.00 0.04 0.28 1.03 -0.00 0.00 0.00 177.93 179.27 1r4g h SER 521 N 0.08 0.85 -0.42 3.26 0.87 -1.65 0.90 113.55 117.43 1r4g h SER 521 Ca 0.23 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 1r4g h SER 521 Cb 0.83 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 1r4g h SER 521 CO -0.02 0.76 0.22 0.25 -0.53 0.00 0.00 176.83 177.52 1r4g h LEU 522 N 0.88 0.53 -0.44 2.23 5.85 -1.26 0.25 115.31 123.35 1r4g h LEU 522 Ca 0.21 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1r4g h LEU 522 Cb 0.16 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1r4g h LEU 522 CO -0.02 0.48 0.28 0.03 -0.34 0.00 0.00 178.44 178.86 1r4g h ARG 523 N 0.54 0.59 -0.77 1.25 3.08 -1.25 -0.75 114.38 117.06 1r4g h ARG 523 Ca 0.15 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.16 1r4g h ARG 523 Cb 0.07 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 1r4g h ARG 523 CO -0.02 0.41 0.50 -0.07 -1.07 0.00 0.00 179.97 179.72 1r4g h LEU 524 N 0.59 0.89 -0.70 3.04 3.38 -0.18 0.21 115.31 122.54 1r4g h LEU 524 Ca 0.16 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1r4g h LEU 524 Cb -0.04 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 1r4g h LEU 524 CO -0.03 0.65 0.36 0.58 0.09 0.00 0.00 178.44 180.09 1r4g h VAL 525 N 1.05 1.22 -0.23 1.22 2.07 0.20 0.30 116.25 122.08 1r4g h VAL 525 Ca 0.28 -0.60 -0.13 0.00 0.82 0.00 0.00 66.70 67.06 1r4g h VAL 525 Cb -0.11 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1r4g h VAL 525 CO -0.06 0.26 -0.38 0.40 0.02 0.00 0.00 177.57 177.81 1r4g h ILE 526 N 0.96 1.31 -0.51 4.57 2.04 -0.10 -2.66 117.51 123.13 1r4g h ILE 526 Ca 0.24 -1.59 -0.02 0.00 1.00 0.00 0.00 64.86 64.49 1r4g h ILE 526 Cb 0.08 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 1r4g h ILE 526 CO -0.03 0.50 0.22 -0.33 0.00 0.00 0.00 178.15 178.51 1r4g h GLU 527 N 0.38 0.73 0.00 2.37 5.08 -0.24 -2.86 114.58 120.04 1r4g h GLU 527 Ca 0.02 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1r4g h GLU 527 Cb 0.97 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1r4g h GLU 527 CO 0.09 0.58 -0.00 0.66 -1.00 0.00 0.00 179.01 179.34 1r4g h SER 528 N 0.72 0.00 -3.76 1.42 4.64 -0.35 -3.45 113.55 112.78 1r4g h SER 528 Ca 0.18 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 61.01 1r4g h SER 528 Cb 0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 1r4g h SER 528 CO -0.02 0.00 0.35 -0.94 -0.87 0.00 0.00 176.83 175.36 1r4g s SER 529 N -6.16 7.62 -1.14 4.97 1.04 -1.01 -4.92 113.70 114.11 1r4g s SER 529 Ca 0.06 1.95 -0.08 0.00 0.48 0.00 0.00 55.95 58.36 1r4g s SER 529 Cb 0.05 -2.61 -0.07 0.00 0.10 0.00 0.00 66.02 63.50 1r4g s SER 529 CO 0.66 0.14 2.35 -0.81 0.98 0.00 0.00 173.24 176.56 1r4g n PRO 530 N 1.44 2.55 -3.36 4.02 -0.04 -1.26 -4.89 135.00 133.45 1r4g n PRO 530 Ca -0.02 -1.75 -0.30 0.00 -0.04 0.00 0.00 63.50 61.39 1r4g n PRO 530 Cb 0.47 -2.62 -0.04 0.00 -0.04 0.00 0.00 33.50 31.27 1r4g n PRO 530 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1r4g s LEU 531 N 0.29 4.10 0.00 1.53 1.43 -1.26 -5.10 118.68 119.67 1r4g s LEU 531 Ca 0.50 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.41 1r4g s LEU 531 Cb 0.13 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1r4g s LEU 531 CO -0.03 -0.14 0.00 -0.24 0.23 0.00 0.00 176.35 176.16 1r4g n SER 532 N -0.57 0.00 0.13 2.29 2.88 -1.26 -4.79 113.62 112.29 1r4g n SER 532 Ca -0.01 -0.75 -0.12 0.00 -1.33 0.00 0.00 58.87 56.67 1r4g n SER 532 Cb 0.53 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.92 1r4g n SER 532 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1r4g h ARG 533 N 0.00 -0.35 -0.71 -1.46 2.43 -1.99 -1.13 114.38 111.17 1r4g h ARG 533 Ca 0.00 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1r4g h ARG 533 Cb 0.00 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 1r4g h ARG 533 CO 0.00 -0.00 0.34 0.00 -1.51 0.00 0.00 179.97 178.79 1r4g h ALA 534 N -0.36 0.91 0.51 2.80 0.00 -1.98 0.11 119.26 121.26 1r4g h ALA 534 Ca -0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1r4g h ALA 534 Cb 0.51 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1r4g h ALA 534 CO 0.06 0.48 -0.25 0.93 0.00 0.00 0.00 179.25 180.47 1r4g h GLU 535 N 0.99 -0.67 0.04 0.00 5.08 -1.95 0.16 114.58 118.23 1r4g h GLU 535 Ca 0.24 0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.67 1r4g h GLU 535 Cb 0.12 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1r4g h GLU 535 CO -0.03 -0.37 -0.20 -0.22 -1.00 0.00 0.00 179.01 177.19 1r4g h LYS 536 N -0.88 -0.33 0.04 2.33 3.64 -1.14 -1.24 116.57 118.98 1r4g h LYS 536 Ca -0.07 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1r4g h LYS 536 Cb 0.60 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 1r4g h LYS 536 CO 0.12 -0.22 -0.19 0.00 -2.27 0.00 0.00 179.45 176.89 1r4g h ALA 537 N 0.52 -0.26 0.41 5.00 0.00 -0.76 0.11 119.26 124.29 1r4g h ALA 537 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1r4g h ALA 537 Cb 0.40 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1r4g h ALA 537 CO -0.16 -0.69 -0.48 0.00 0.00 0.00 0.00 179.25 177.92 1r4g h ALA 538 N 0.56 -1.04 -0.15 0.00 0.00 -0.42 0.17 119.26 118.38 1r4g h ALA 538 Ca 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1r4g h ALA 538 Cb 0.38 0.71 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1r4g h ALA 538 CO -0.15 -1.13 0.07 -0.92 0.00 0.00 0.00 179.25 177.12 1r4g h TYR 539 N -0.92 0.22 -0.51 0.00 3.20 -1.19 0.92 116.97 118.69 1r4g h TYR 539 Ca -0.04 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.85 1r4g h TYR 539 Cb 0.82 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.98 1r4g h TYR 539 CO -0.28 0.26 0.28 0.28 -1.64 0.00 0.00 178.16 177.06 1r4g h VAL 540 N 0.12 0.98 -0.18 1.81 2.07 -0.66 0.22 116.25 120.61 1r4g h VAL 540 Ca 0.05 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1r4g h VAL 540 Cb 0.12 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1r4g h VAL 540 CO -0.01 0.10 0.01 0.11 0.02 0.00 0.00 177.57 177.80 1r4g h LYS 541 N 0.54 0.31 -0.60 1.57 6.56 -0.54 0.69 116.57 125.10 1r4g h LYS 541 Ca 0.22 -0.09 0.10 0.00 -1.06 0.00 0.00 60.65 59.82 1r4g h LYS 541 Cb 0.10 -0.03 -0.08 0.00 -0.57 0.00 0.00 32.23 31.65 1r4g h LYS 541 CO -0.14 0.50 0.19 1.03 -2.06 0.00 0.00 179.45 178.97 1r4g h SER 542 N 0.08 0.14 -0.08 0.86 0.87 -0.32 0.21 113.55 115.31 1r4g h SER 542 Ca 0.05 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1r4g h SER 542 Cb 0.36 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1r4g h SER 542 CO 0.01 0.08 0.03 0.25 -0.53 0.00 0.00 176.83 176.67 1r4g h LEU 543 N 0.35 0.12 -0.91 2.23 5.85 -0.43 -2.52 115.31 119.99 1r4g h LEU 543 Ca 0.31 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.94 1r4g h LEU 543 Cb 0.42 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 1r4g h LEU 543 CO -0.34 0.24 0.57 0.28 -0.34 0.00 0.00 178.44 178.85 1r4g h SER 544 N -0.02 0.89 0.00 1.25 0.02 0.09 -1.18 113.55 114.60 1r4g h SER 544 Ca 0.03 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1r4g h SER 544 Cb 0.16 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1r4g h SER 544 CO -0.00 0.56 0.00 0.29 -1.14 0.00 0.00 176.83 176.53 1r4g n LYS 545 N -4.60 0.96 -3.88 3.45 5.02 0.65 -4.58 118.16 115.19 1r4g n LYS 545 Ca 0.14 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.09 1r4g n LYS 545 Cb 0.20 -1.23 -0.13 0.00 -0.02 0.00 0.00 35.03 33.86 1r4g n LYS 545 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r4g h LYS 547 N 7.85 0.00 0.00 0.00 3.64 -1.82 -3.46 116.57 122.78 1r4g h LYS 547 Ca -0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1r4g h LYS 547 Cb 1.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1r4g h LYS 547 CO 0.63 0.00 0.00 0.25 -2.27 0.00 0.00 179.45 178.06 1r4g n THR 548 N -2.64 0.00 0.18 1.00 -2.24 -1.26 -5.09 114.28 104.23 1r4g n THR 548 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1r4g n THR 548 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1r4g n THR 548 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1r4g n ASP 549 N 0.00 -2.37 -0.36 3.42 5.75 -1.26 -4.78 116.55 116.94 1r4g n ASP 549 Ca 0.00 0.66 0.08 0.00 -0.01 0.00 0.00 54.79 55.52 1r4g n ASP 549 Cb 0.00 2.32 0.25 0.00 -1.03 0.00 0.00 41.12 42.66 1r4g n ASP 549 CO 0.00 0.00 0.00 -0.61 -0.11 0.00 0.00 177.20 176.48 1r4g h GLN 550 N 0.00 0.94 0.04 0.11 4.15 -1.99 0.16 115.11 118.53 1r4g h GLN 550 Ca 0.00 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.36 1r4g h GLN 550 Cb 0.00 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 27.48 1r4g h GLN 550 CO 0.00 0.62 -0.02 1.49 -1.93 0.00 0.00 178.83 178.99 1r4g h GLU 551 N 0.97 -0.05 -0.92 1.69 4.81 -1.99 -2.45 114.58 116.63 1r4g h GLU 551 Ca 0.50 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.81 1r4g h GLU 551 Cb 0.52 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.85 1r4g h GLU 551 CO -0.27 0.51 0.59 0.28 -0.73 0.00 0.00 179.01 179.40 1r4g h VAL 552 N -0.66 1.02 -0.06 0.32 2.07 -1.68 0.84 116.25 118.09 1r4g h VAL 552 Ca -0.01 -0.34 -0.14 0.00 0.82 0.00 0.00 66.70 67.03 1r4g h VAL 552 Cb 0.59 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1r4g h VAL 552 CO 0.01 0.18 -0.60 0.07 0.02 0.00 0.00 177.57 177.25 1r4g h LYS 553 N 0.99 0.19 -0.75 1.57 5.09 -0.74 0.12 116.57 123.03 1r4g h LYS 553 Ca 0.41 -0.13 -0.04 0.00 0.09 0.00 0.00 60.65 60.98 1r4g h LYS 553 Cb 0.30 0.02 -0.03 0.00 0.10 0.00 0.00 32.23 32.62 1r4g h LYS 553 CO -0.17 0.73 0.30 0.00 -2.09 0.00 0.00 179.45 178.23 1r4g h ALA 554 N 1.24 0.98 -0.50 0.07 0.00 -0.42 0.22 119.26 120.85 1r4g h ALA 554 Ca -0.01 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1r4g h ALA 554 Cb 1.09 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1r4g h ALA 554 CO 0.09 0.60 0.04 0.28 0.00 0.00 0.00 179.25 180.26 1r4g h VAL 555 N 1.09 1.24 -0.36 0.00 2.07 -0.44 -2.49 116.25 117.36 1r4g h VAL 555 Ca 0.25 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1r4g h VAL 555 Cb 0.21 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1r4g h VAL 555 CO -0.02 0.34 0.14 -0.03 0.02 0.00 0.00 177.57 178.01 1r4g h MET 556 N 0.76 0.54 -0.96 1.57 -1.53 0.49 -1.90 114.93 113.90 1r4g h MET 556 Ca 0.15 -0.10 0.16 0.00 -3.44 0.00 0.00 59.70 56.47 1r4g h MET 556 Cb 0.40 -0.09 -0.08 0.00 -0.55 0.00 0.00 31.60 31.28 1r4g h MET 556 CO 0.01 0.53 0.60 0.93 0.14 0.00 0.00 176.91 179.13 1r4g h GLU 557 N 0.43 0.74 -0.00 0.39 4.39 -0.33 0.22 114.58 120.43 1r4g h GLU 557 Ca 0.12 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.79 1r4g h GLU 557 Cb 0.20 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1r4g h GLU 557 CO -0.01 0.49 -0.07 1.25 -1.16 0.00 0.00 179.01 179.51 1r4g h LEU 558 N 0.77 -0.20 -0.61 1.33 6.46 -0.92 -2.35 115.31 119.79 1r4g h LEU 558 Ca 0.50 0.03 0.13 0.00 -0.12 0.00 0.00 57.88 58.42 1r4g h LEU 558 Cb 0.76 0.09 -0.10 0.00 -0.73 0.00 0.00 40.66 40.67 1r4g h LEU 558 CO -0.27 -0.10 0.01 0.58 -0.62 0.00 0.00 178.44 178.04 1r4g h VAL 559 N -0.12 0.50 -0.47 1.05 2.07 -0.56 0.22 116.25 118.95 1r4g h VAL 559 Ca 0.03 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1r4g h VAL 559 Cb 0.16 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 1r4g h VAL 559 CO -0.07 0.02 0.20 -0.33 0.02 0.00 0.00 177.57 177.41 1r4g h GLU 560 N 0.13 0.38 -0.37 1.57 5.08 -1.03 -1.54 114.58 118.80 1r4g h GLU 560 Ca 0.32 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.58 1r4g h GLU 560 Cb 0.52 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1r4g h GLU 560 CO -0.52 0.25 -0.06 0.93 -1.00 0.00 0.00 179.01 178.62 1r4g h GLU 561 N 0.39 0.69 -0.67 2.33 5.08 -0.70 -2.53 114.58 119.17 1r4g h GLU 561 Ca 0.21 -0.25 0.11 0.00 -1.00 0.00 0.00 59.36 58.43 1r4g h GLU 561 Cb 0.17 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.30 1r4g h GLU 561 CO -0.19 0.83 0.28 0.22 -1.00 0.00 0.00 179.01 179.15 1r4g h ASP 562 N 0.50 0.30 -0.24 1.42 3.58 -0.00 0.61 116.42 122.58 1r4g h ASP 562 Ca 0.10 0.08 -0.14 0.00 0.42 0.00 0.00 57.03 57.49 1r4g h ASP 562 Cb 0.56 0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.65 1r4g h ASP 562 CO 0.03 0.16 -0.34 0.40 -2.88 0.00 0.00 179.24 176.61 1r4g h ILE 563 N 0.47 1.28 0.00 2.25 2.04 -1.21 -0.17 117.51 122.17 1r4g h ILE 563 Ca 0.35 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.71 1r4g h ILE 563 Cb 0.44 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1r4g h ILE 563 CO -0.32 0.49 0.00 -0.62 0.00 0.00 0.00 178.15 177.70 1r4g n GLU 564 N -4.06 0.08 -2.68 2.37 1.02 0.10 -4.75 120.64 112.72 1r4g n GLU 564 Ca -0.01 0.22 -0.07 0.00 -0.02 0.00 0.00 57.16 57.28 1r4g n GLU 564 Cb 0.50 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.45 1r4g n GLU 564 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1r4g n SER 565 N -1.26 -2.75 -2.74 1.62 7.64 -0.08 -1.97 113.62 114.08 1r4g n SER 565 Ca 0.02 -0.19 -0.15 0.00 1.01 0.00 0.00 58.87 59.56 1r4g n SER 565 Cb 0.04 -2.04 -0.00 0.00 -1.01 0.00 0.00 64.21 61.19 1r4g n SER 565 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1r4g n LEU 566 N -2.04 -1.24 -3.38 -3.43 7.94 0.19 -4.90 117.00 110.14 1r4g n LEU 566 Ca -0.05 0.02 -0.18 0.00 -1.11 0.00 0.00 56.01 54.70 1r4g n LEU 566 Cb 0.54 -2.09 -0.09 0.00 0.53 0.00 0.00 43.42 42.31 1r4g n LEU 566 CO 0.21 -0.02 -0.17 -0.89 -1.11 0.00 0.00 177.39 175.41 1r4g s THR 567 N -2.69 -0.32 -2.00 1.96 2.01 -0.83 -5.01 115.64 108.76 1r4g s THR 567 Ca 0.13 -0.88 0.17 0.00 0.31 0.00 0.00 61.69 61.42 1r4g s THR 567 Cb -0.07 -0.80 0.49 0.00 0.01 0.00 0.00 72.50 72.13 1r4g s THR 567 CO 0.16 -0.58 1.43 0.59 -0.69 0.00 0.00 174.62 175.54