#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 1.40 0.48 1.97 0.04 -1.26 -5.06 135.00 132.56 1r4g s PRO 517 Ca 0.00 1.09 0.07 0.00 0.04 0.00 0.00 61.00 62.20 1r4g s PRO 517 Cb 0.00 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1r4g s PRO 517 CO 0.00 -2.22 0.37 0.95 0.04 0.00 0.00 177.00 176.14 1r4g s THR 518 N -2.83 2.13 0.16 1.26 -4.23 -1.26 -5.03 115.64 105.84 1r4g s THR 518 Ca 0.64 -1.46 -0.07 0.00 -1.18 0.00 0.00 61.69 59.61 1r4g s THR 518 Cb -0.19 -2.59 -0.07 0.00 1.34 0.00 0.00 72.50 70.99 1r4g s THR 518 CO 0.57 0.00 1.46 0.24 -0.54 0.00 0.00 174.62 176.36 1r4g h MET 519 N 0.95 0.74 -0.68 3.99 2.86 -2.00 -3.17 114.93 117.61 1r4g h MET 519 Ca -0.39 -0.45 -0.06 0.00 -2.06 0.00 0.00 59.70 56.73 1r4g h MET 519 Cb 1.28 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.96 1r4g h MET 519 CO 0.59 1.08 0.18 0.45 1.06 0.00 0.00 176.91 180.27 1r4g h HIS 520 N 0.57 1.11 -0.81 -0.22 3.86 -1.99 -2.36 115.15 115.32 1r4g h HIS 520 Ca 0.02 -0.12 0.03 0.00 -1.16 0.00 0.00 60.37 59.14 1r4g h HIS 520 Cb 1.10 -0.32 -0.05 0.00 1.06 0.00 0.00 27.41 29.20 1r4g h HIS 520 CO 0.06 0.90 0.51 0.66 0.86 0.00 0.00 177.93 180.92 1r4g h SER 521 N 1.02 0.85 -0.02 2.45 4.64 -1.96 0.59 113.55 121.13 1r4g h SER 521 Ca 0.22 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1r4g h SER 521 Cb 0.34 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1r4g h SER 521 CO -0.00 0.59 0.01 0.25 -0.87 0.00 0.00 176.83 176.80 1r4g h LEU 522 N 1.00 0.03 -0.77 5.97 5.85 -1.47 -0.41 115.31 125.51 1r4g h LEU 522 Ca 0.32 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.95 1r4g h LEU 522 Cb 0.01 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 1r4g h LEU 522 CO -0.11 0.19 0.44 0.03 -0.34 0.00 0.00 178.44 178.64 1r4g h ARG 523 N -0.14 0.75 -0.29 1.25 3.08 -1.08 0.16 114.38 118.11 1r4g h ARG 523 Ca 0.01 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1r4g h ARG 523 Cb 0.17 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1r4g h ARG 523 CO -0.00 0.50 0.11 -0.07 -1.07 0.00 0.00 179.97 179.44 1r4g h LEU 524 N 0.77 0.36 -0.58 3.04 3.38 -0.46 -0.21 115.31 121.61 1r4g h LEU 524 Ca 0.36 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1r4g h LEU 524 Cb 0.27 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1r4g h LEU 524 CO -0.21 0.34 0.38 1.62 0.09 0.00 0.00 178.44 180.65 1r4g h VAL 525 N 0.41 1.16 -0.42 1.22 3.04 0.75 0.27 116.25 122.68 1r4g h VAL 525 Ca 0.10 -0.30 -0.09 0.00 -1.01 0.00 0.00 66.70 65.40 1r4g h VAL 525 Cb 0.09 0.31 -0.01 0.00 -2.01 0.00 0.00 31.29 29.67 1r4g h VAL 525 CO -0.01 0.15 -0.08 0.40 -1.01 0.00 0.00 177.57 177.02 1r4g h ILE 526 N 0.79 1.27 -0.68 3.17 1.08 -0.92 -2.28 117.51 119.94 1r4g h ILE 526 Ca 0.21 -1.16 -0.05 0.00 -0.39 0.00 0.00 64.86 63.47 1r4g h ILE 526 Cb -0.07 1.18 -0.03 0.00 -3.07 0.00 0.00 36.82 34.82 1r4g h ILE 526 CO -0.04 0.39 0.24 -0.33 -0.69 0.00 0.00 178.15 177.71 1r4g h GLU 527 N 0.61 1.02 -0.50 2.37 5.08 -0.57 -2.93 114.58 119.67 1r4g h GLU 527 Ca 0.11 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 1r4g h GLU 527 Cb 0.60 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1r4g h GLU 527 CO 0.04 0.86 -0.05 0.66 -1.00 0.00 0.00 179.01 179.52 1r4g h SER 528 N 0.99 0.84 -4.31 1.42 4.64 -0.29 -3.43 113.55 113.41 1r4g h SER 528 Ca 0.22 -0.23 -0.50 0.00 -0.47 0.00 0.00 61.79 60.81 1r4g h SER 528 Cb 0.25 -0.23 0.07 0.00 -0.31 0.00 0.00 62.40 62.18 1r4g h SER 528 CO -0.01 0.93 0.39 -0.94 -0.87 0.00 0.00 176.83 176.33 1r4g s SER 529 N -6.65 5.90 0.00 4.97 1.04 -0.88 -5.05 113.70 113.03 1r4g s SER 529 Ca -0.10 1.56 0.00 0.00 0.48 0.00 0.00 55.95 57.89 1r4g s SER 529 Cb 0.14 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.77 1r4g s SER 529 CO 0.83 -1.09 0.00 -0.81 0.98 0.00 0.00 173.24 173.15 1r4g n PRO 530 N -2.67 0.00 -1.06 4.02 -0.04 -1.26 -4.91 135.00 129.08 1r4g n PRO 530 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1r4g n PRO 530 Cb 0.54 -0.07 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 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 -1.41 0.00 1.53 4.77 -1.26 -4.94 117.00 115.70 1r4g n LEU 531 Ca 0.00 1.97 0.00 0.00 -0.03 0.00 0.00 56.01 57.95 1r4g n LEU 531 Cb 0.00 -1.73 0.00 0.00 -2.33 0.00 0.00 43.42 39.36 1r4g n LEU 531 CO 0.00 -0.20 0.00 -1.20 -1.33 0.00 0.00 177.39 174.66 1r4g n SER 532 N -1.71 0.00 -0.06 -1.43 7.64 -1.26 -4.96 113.62 111.85 1r4g n SER 532 Ca 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.81 1r4g n SER 532 Cb 0.19 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.33 1r4g n SER 532 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1r4g h ARG 533 N 0.00 0.00 0.65 1.43 2.43 -1.99 -3.32 114.38 113.59 1r4g h ARG 533 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1r4g h ARG 533 Cb 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1r4g h ARG 533 CO 0.00 0.45 -0.31 0.00 -1.51 0.00 0.00 179.97 178.60 1r4g h ALA 534 N -0.57 -0.87 -0.32 2.80 0.00 -1.98 -1.11 119.26 117.21 1r4g h ALA 534 Ca -0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1r4g h ALA 534 Cb 0.48 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1r4g h ALA 534 CO -0.01 -0.91 0.09 1.05 0.00 0.00 0.00 179.25 179.48 1r4g h GLU 535 N -1.04 0.50 0.14 0.00 9.09 -1.99 0.21 114.58 121.49 1r4g h GLU 535 Ca -0.09 -0.11 -0.01 0.00 0.05 0.00 0.00 59.36 59.20 1r4g h GLU 535 Cb 0.71 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.74 1r4g h GLU 535 CO 0.15 0.55 -0.07 -0.22 0.05 0.00 0.00 179.01 179.47 1r4g h LYS 536 N 0.36 -0.18 0.21 1.06 3.64 -1.66 -0.41 116.57 119.59 1r4g h LYS 536 Ca 0.10 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1r4g h LYS 536 Cb 0.27 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1r4g h LYS 536 CO -0.00 -0.07 -0.24 0.00 -2.27 0.00 0.00 179.45 176.86 1r4g h ALA 537 N 0.62 -0.48 -0.03 5.00 0.00 -1.12 0.12 119.26 123.37 1r4g h ALA 537 Ca -0.02 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1r4g h ALA 537 Cb 0.19 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1r4g h ALA 537 CO 0.03 -0.80 -0.34 0.00 0.00 0.00 0.00 179.25 178.14 1r4g h ALA 538 N 0.19 -0.49 0.14 0.00 0.00 -0.82 0.15 119.26 118.43 1r4g h ALA 538 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1r4g h ALA 538 Cb 0.48 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1r4g h ALA 538 CO -0.08 -0.85 -0.11 -0.92 0.00 0.00 0.00 179.25 177.29 1r4g h TYR 539 N -0.48 -0.28 -0.99 0.00 3.20 -0.95 -0.50 116.97 116.98 1r4g h TYR 539 Ca 0.07 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.98 1r4g h TYR 539 Cb 0.58 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.89 1r4g h TYR 539 CO -0.38 -0.17 0.64 0.28 -1.64 0.00 0.00 178.16 176.90 1r4g h VAL 540 N -0.26 1.15 -0.22 1.81 2.07 -0.54 0.18 116.25 120.45 1r4g h VAL 540 Ca -0.01 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1r4g h VAL 540 Cb 0.23 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 1r4g h VAL 540 CO -0.01 0.22 0.06 0.11 0.02 0.00 0.00 177.57 177.98 1r4g h LYS 541 N 1.22 0.34 -0.64 1.57 6.56 -0.40 0.72 116.57 125.95 1r4g h LYS 541 Ca 0.40 -0.08 -0.01 0.00 -1.06 0.00 0.00 60.65 59.90 1r4g h LYS 541 Cb 0.05 -0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 31.63 1r4g h LYS 541 CO -0.14 0.45 0.34 0.66 -2.06 0.00 0.00 179.45 178.70 1r4g h SER 542 N 0.17 0.79 -0.33 0.86 4.64 -0.36 -1.86 113.55 117.47 1r4g h SER 542 Ca 0.07 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1r4g h SER 542 Cb 0.25 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1r4g h SER 542 CO -0.00 0.65 0.08 0.25 -0.87 0.00 0.00 176.83 176.94 1r4g h LEU 543 N 0.89 0.50 -1.48 5.97 5.85 -0.39 -2.60 115.31 124.05 1r4g h LEU 543 Ca 0.23 -0.23 0.17 0.00 0.84 0.00 0.00 57.88 58.89 1r4g h LEU 543 Cb 0.04 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 1r4g h LEU 543 CO -0.04 0.60 0.56 -1.28 -0.34 0.00 0.00 178.44 177.94 1r4g h SER 544 N 0.38 0.46 0.00 1.25 0.87 -0.05 -1.22 113.55 115.23 1r4g h SER 544 Ca 0.10 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1r4g h SER 544 Cb 0.29 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1r4g h SER 544 CO 0.00 0.22 0.00 0.29 -0.53 0.00 0.00 176.83 176.81 1r4g n LYS 545 N -4.51 0.57 -0.42 2.24 4.76 -0.92 -4.87 118.16 115.01 1r4g n LYS 545 Ca 0.17 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.32 1r4g n LYS 545 Cb 0.58 -1.21 0.28 0.00 -1.84 0.00 0.00 35.03 32.84 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 -5.38 0.00 0.00 0.00 0.00 -1.26 -5.12 118.16 106.40 1r4g n LYS 547 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.39 1r4g n LYS 547 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.60 1r4g n LYS 547 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1r4g n THR 548 N -3.16 0.00 0.01 3.15 -2.24 -1.26 -5.11 114.28 105.67 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 -0.90 -0.57 0.00 0.00 175.07 173.60 1r4g n ASP 549 N 0.00 -0.16 -0.33 3.42 5.75 -1.26 -4.80 116.55 119.17 1r4g n ASP 549 Ca 0.00 0.05 0.03 0.00 -0.01 0.00 0.00 54.79 54.86 1r4g n ASP 549 Cb 0.00 0.40 0.21 0.00 -1.03 0.00 0.00 41.12 40.70 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 1.07 0.04 0.11 4.15 -1.99 0.16 115.11 118.65 1r4g h GLN 550 Ca 0.00 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 1r4g h GLN 550 Cb 0.00 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.45 1r4g h GLN 550 CO 0.00 0.71 -0.02 1.49 -1.93 0.00 0.00 178.83 179.08 1r4g h GLU 551 N 1.11 -0.05 -0.72 1.69 4.57 -2.00 -2.50 114.58 116.68 1r4g h GLU 551 Ca 0.40 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.59 1r4g h GLU 551 Cb 0.16 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 1r4g h GLU 551 CO -0.15 0.39 0.48 0.28 -1.18 0.00 0.00 179.01 178.83 1r4g h VAL 552 N -0.50 1.19 -0.80 0.32 2.07 -1.76 -0.65 116.25 116.12 1r4g h VAL 552 Ca -0.00 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1r4g h VAL 552 Cb 0.46 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 1r4g h VAL 552 CO 0.01 0.18 0.39 0.50 0.02 0.00 0.00 177.57 178.66 1r4g h LYS 553 N 0.98 1.14 -0.49 1.57 3.11 -0.66 0.18 116.57 122.40 1r4g h LYS 553 Ca 0.26 -0.16 -0.03 0.00 -2.81 0.00 0.00 60.65 57.92 1r4g h LYS 553 Cb -0.11 -0.21 -0.02 0.00 -1.00 0.00 0.00 32.23 30.88 1r4g h LYS 553 CO -0.06 0.87 0.19 0.00 -2.81 0.00 0.00 179.45 177.64 1r4g h ALA 554 N 1.29 1.43 -0.21 5.00 0.00 -0.66 0.14 119.26 126.25 1r4g h ALA 554 Ca 0.27 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 1r4g h ALA 554 Cb 0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1r4g h ALA 554 CO -0.04 0.44 -0.60 0.28 0.00 0.00 0.00 179.25 179.33 1r4g h VAL 555 N 0.69 1.30 -0.48 0.00 2.07 -0.55 -1.81 116.25 117.47 1r4g h VAL 555 Ca 0.17 -1.83 -0.02 0.00 0.82 0.00 0.00 66.70 65.83 1r4g h VAL 555 Cb 0.14 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 1r4g h VAL 555 CO -0.02 0.58 0.21 0.24 0.02 0.00 0.00 177.57 178.60 1r4g h MET 556 N 0.54 0.71 -0.95 1.57 2.86 0.01 -1.82 114.93 117.85 1r4g h MET 556 Ca -0.00 -0.12 0.11 0.00 -2.06 0.00 0.00 59.70 57.63 1r4g h MET 556 Cb 1.19 -0.12 -0.07 0.00 0.06 0.00 0.00 31.60 32.66 1r4g h MET 556 CO 0.12 0.62 0.61 1.49 1.06 0.00 0.00 176.91 180.81 1r4g h GLU 557 N 0.64 0.91 -0.92 1.72 4.81 -0.61 0.16 114.58 121.30 1r4g h GLU 557 Ca 0.16 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1r4g h GLU 557 Cb 0.16 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 1r4g h GLU 557 CO -0.02 0.60 0.55 1.25 -0.73 0.00 0.00 179.01 180.67 1r4g h LEU 558 N 0.94 1.11 -0.70 1.64 5.85 -0.49 -1.93 115.31 121.72 1r4g h LEU 558 Ca 0.45 -0.07 0.09 0.00 0.84 0.00 0.00 57.88 59.19 1r4g h LEU 558 Cb 0.45 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 1r4g h LEU 558 CO -0.21 0.85 0.35 0.58 -0.34 0.00 0.00 178.44 179.67 1r4g h VAL 559 N 1.27 0.87 -0.02 1.05 2.07 -0.52 0.16 116.25 121.12 1r4g h VAL 559 Ca 0.33 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.65 1r4g h VAL 559 Cb -0.05 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 1r4g h VAL 559 CO -0.06 0.11 -0.06 -0.33 0.02 0.00 0.00 177.57 177.25 1r4g h GLU 560 N 0.61 -0.09 -0.68 1.57 5.08 -1.10 -2.36 114.58 117.63 1r4g h GLU 560 Ca 0.34 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.62 1r4g h GLU 560 Cb 0.33 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 1r4g h GLU 560 CO -0.25 -0.06 0.11 0.93 -1.00 0.00 0.00 179.01 178.74 1r4g h GLU 561 N -0.09 1.12 -0.71 2.33 4.39 -1.04 -2.78 114.58 117.79 1r4g h GLU 561 Ca 0.03 -0.30 0.11 0.00 0.34 0.00 0.00 59.36 59.54 1r4g h GLU 561 Cb 0.13 -0.13 -0.08 0.00 -0.10 0.00 0.00 28.75 28.57 1r4g h GLU 561 CO -0.08 1.02 0.32 0.22 -1.16 0.00 0.00 179.01 179.34 1r4g h ASP 562 N 1.05 0.37 -0.18 1.42 3.58 -0.38 -0.12 116.42 122.16 1r4g h ASP 562 Ca 0.21 0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.65 1r4g h ASP 562 Cb 0.45 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.52 1r4g h ASP 562 CO 0.01 0.19 -0.22 0.40 -2.88 0.00 0.00 179.24 176.75 1r4g h ILE 563 N 0.52 1.34 0.00 2.25 2.04 -1.26 0.19 117.51 122.59 1r4g h ILE 563 Ca 0.37 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.82 1r4g h ILE 563 Cb 0.46 1.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 1r4g h ILE 563 CO -0.32 0.43 0.00 -0.62 0.00 0.00 0.00 178.15 177.64 1r4g n GLU 564 N -4.44 0.05 -0.12 2.37 -0.58 -0.76 -0.48 120.64 116.68 1r4g n GLU 564 Ca -0.06 0.29 -0.21 0.00 -0.42 0.00 0.00 57.16 56.77 1r4g n GLU 564 Cb 0.42 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.72 1r4g n GLU 564 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1r4g n SER 565 N -1.40 1.95 -0.30 1.62 2.88 -0.13 -3.25 113.62 114.99 1r4g n SER 565 Ca 0.03 0.34 0.04 0.00 -1.33 0.00 0.00 58.87 57.94 1r4g n SER 565 Cb 0.08 -0.78 0.18 0.00 -0.75 0.00 0.00 64.21 62.93 1r4g n SER 565 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1r4g h LEU 566 N -1.00 0.71 0.25 2.46 5.85 -0.41 -3.06 115.31 120.10 1r4g h LEU 566 Ca -0.40 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 1r4g h LEU 566 Cb 1.35 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1r4g h LEU 566 CO -0.24 0.40 -0.12 0.74 -0.34 0.00 0.00 178.44 178.88 1r4g h THR 567 N 0.82 0.00 -0.02 1.05 2.02 -1.00 -3.51 112.91 112.26 1r4g h THR 567 Ca 0.42 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1r4g h THR 567 Cb 0.39 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1r4g h THR 567 CO -0.25 0.00 0.00 0.59 0.37 0.00 0.00 175.52 176.23