#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x7r n ALA 532 N 0.00 -1.88 -0.06 4.61 0.00 -1.26 -4.52 120.51 117.40 2x7r n ALA 532 Ca 0.00 0.49 -0.01 0.00 0.00 0.00 0.00 53.44 53.92 2x7r n ALA 532 Cb 0.00 -1.73 -0.01 0.00 0.00 0.00 0.00 19.45 17.72 2x7r n ALA 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2x7r n ALA 533 N 3.02 1.30 -0.05 0.00 0.00 -1.26 -2.80 120.51 120.72 2x7r n ALA 533 Ca 0.26 -0.13 0.02 0.00 0.00 0.00 0.00 53.44 53.59 2x7r n ALA 533 Cb -0.02 -2.36 -0.16 0.00 0.00 0.00 0.00 19.45 16.92 2x7r n ALA 533 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2x7r n SER 534 N 3.66 0.23 0.00 0.00 3.41 -1.26 -3.58 113.62 116.07 2x7r n SER 534 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2x7r n SER 534 Cb 0.04 1.52 0.00 0.00 -0.26 0.00 0.00 64.21 65.51 2x7r n SER 534 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 2x7r n MET 535 N -2.44 0.00 -0.52 4.33 2.00 -1.12 -1.01 117.12 118.36 2x7r n MET 535 Ca -0.16 0.62 0.43 0.00 0.00 0.00 0.00 57.70 58.59 2x7r n MET 535 Cb 0.80 -1.32 0.75 0.00 0.00 0.00 0.00 33.22 33.45 2x7r n MET 535 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 2x7r h THR 536 N 0.00 0.18 0.15 2.03 2.02 -1.85 0.10 112.91 115.54 2x7r h THR 536 Ca 0.00 -0.01 -0.26 0.00 0.77 0.00 0.00 66.41 66.91 2x7r h THR 536 Cb 0.00 0.14 0.01 0.00 -1.74 0.00 0.00 68.15 66.56 2x7r h THR 536 CO 0.00 0.01 -1.22 0.25 0.37 0.00 0.00 175.52 174.93 2x7r h LEU 537 N 0.03 0.49 0.00 2.58 5.85 -1.48 -3.28 115.31 119.51 2x7r h LEU 537 Ca 0.79 -0.91 -0.17 0.00 0.84 0.00 0.00 57.88 58.43 2x7r h LEU 537 Cb 2.97 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 43.82 2x7r h LEU 537 CO -0.10 1.56 -0.86 0.71 -0.34 0.00 0.00 178.44 179.40 2x7r h THR 538 N -0.24 1.28 -0.78 1.05 1.35 -0.46 -3.28 112.91 111.83 2x7r h THR 538 Ca -0.24 -2.85 0.13 0.00 -0.55 0.00 0.00 66.41 62.90 2x7r h THR 538 Cb 1.79 2.62 -0.09 0.00 -1.73 0.00 0.00 68.15 70.75 2x7r h THR 538 CO 0.13 0.73 0.37 1.62 -0.25 0.00 0.00 175.52 178.12 2x7r h VAL 539 N 0.00 0.73 -0.42 6.82 3.04 -0.91 0.74 116.25 126.25 2x7r h VAL 539 Ca -0.03 -0.19 -0.11 0.00 -1.01 0.00 0.00 66.70 65.36 2x7r h VAL 539 Cb 1.63 0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 31.02 2x7r h VAL 539 CO 0.10 0.10 -0.18 1.56 -1.01 0.00 0.00 177.57 178.14 2x7r h GLN 540 N 0.55 0.86 -0.01 4.17 4.20 -1.66 -0.85 115.11 122.36 2x7r h GLN 540 Ca 0.42 -0.37 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 2x7r h GLN 540 Cb 0.58 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 2x7r h GLN 540 CO -0.36 1.01 -0.24 0.00 -0.67 0.00 0.00 178.83 178.57 2x7r h ALA 541 N 0.83 1.59 -0.66 3.87 0.00 -1.06 0.54 119.26 124.36 2x7r h ALA 541 Ca 0.10 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2x7r h ALA 541 Cb 0.74 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2x7r h ALA 541 CO 0.06 0.31 0.17 -0.09 0.00 0.00 0.00 179.25 179.70 2x7r h ARG 542 N 0.02 1.05 -0.34 0.00 2.43 0.56 -2.44 114.38 115.65 2x7r h ARG 542 Ca 0.00 -0.25 -0.07 0.00 -0.81 0.00 0.00 59.98 58.85 2x7r h ARG 542 Cb 0.43 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2x7r h ARG 542 CO 0.03 0.94 -0.10 0.37 -1.51 0.00 0.00 179.97 179.70 2x7r h GLN 543 N 0.98 0.58 0.33 0.20 5.75 0.13 -2.89 115.11 120.19 2x7r h GLN 543 Ca 0.21 -0.17 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 2x7r h GLN 543 Cb 0.35 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.85 2x7r h GLN 543 CO 0.00 0.68 -0.16 1.25 -2.65 0.00 0.00 178.83 177.95 2x7r h LEU 544 N 0.54 -0.37 -2.31 -2.39 5.85 -0.11 -0.67 115.31 115.85 2x7r h LEU 544 Ca 0.10 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.69 2x7r h LEU 544 Cb 0.50 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2x7r h LEU 544 CO 0.03 0.08 0.16 -0.07 -0.34 0.00 0.00 178.44 178.29 2x7r h LEU 545 N -0.95 0.00 -0.22 2.25 3.38 -1.53 0.58 115.31 118.82 2x7r h LEU 545 Ca -0.04 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 2x7r h LEU 545 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 2x7r h LEU 545 CO 0.07 0.00 -0.29 -1.28 0.09 0.00 0.00 178.44 177.03 2x7r h SER 546 N 0.00 0.64 -0.75 -0.43 0.87 -1.38 0.30 113.55 112.79 2x7r h SER 546 Ca 0.06 -0.51 -0.06 0.00 -1.23 0.00 0.00 61.79 60.06 2x7r h SER 546 Cb 0.38 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.12 2x7r h SER 546 CO -0.00 1.02 0.25 1.23 -0.53 0.00 0.00 176.83 178.80 2x7r h GLY 547 N 0.28 1.24 0.78 5.77 0.00 0.11 -2.39 103.07 108.87 2x7r h GLY 547 Ca 0.03 -0.73 -0.04 0.00 0.00 0.00 0.00 47.33 46.59 2x7r h GLY 547 CO 0.07 0.68 -0.05 -2.22 0.00 0.00 0.00 176.54 175.02 2x7r h ILE 548 N 1.11 1.29 -0.03 2.60 2.04 -0.04 -1.86 117.51 122.62 2x7r h ILE 548 Ca 0.24 -1.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 2x7r h ILE 548 Cb 0.29 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.99 2x7r h ILE 548 CO -0.01 0.31 0.02 0.58 0.00 0.00 0.00 178.15 179.05 2x7r h VAL 549 N 0.05 1.05 -0.39 1.67 2.07 -0.96 -1.85 116.25 117.88 2x7r h VAL 549 Ca 0.04 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.50 2x7r h VAL 549 Cb 0.50 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 2x7r h VAL 549 CO 0.02 0.04 0.06 1.56 0.02 0.00 0.00 177.57 179.27 2x7r h GLN 550 N -0.01 0.18 -0.35 1.57 1.08 -1.46 -2.17 115.11 113.95 2x7r h GLN 550 Ca 0.01 -0.01 0.10 0.00 -1.45 0.00 0.00 58.65 57.30 2x7r h GLN 550 Cb 0.05 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2x7r h GLN 550 CO -0.00 0.12 0.27 0.37 -0.95 0.00 0.00 178.83 178.63 2x7r h GLN 551 N 0.18 0.00 -0.02 1.46 5.75 -1.11 0.43 115.11 121.81 2x7r h GLN 551 Ca 0.19 0.00 -0.19 0.00 -0.15 0.00 0.00 58.65 58.50 2x7r h GLN 551 Cb 0.24 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 2x7r h GLN 551 CO -0.26 0.00 -0.83 1.96 -2.65 0.00 0.00 178.83 177.05 2x7r h GLN 552 N 0.00 0.29 -0.66 1.69 4.20 -0.72 -2.16 115.11 117.75 2x7r h GLN 552 Ca 0.17 -0.28 -0.07 0.00 0.06 0.00 0.00 58.65 58.53 2x7r h GLN 552 Cb 0.70 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.52 2x7r h GLN 552 CO -0.00 0.97 0.14 -0.97 -0.67 0.00 0.00 178.83 178.29 2x7r h ASN 553 N 0.18 1.01 0.06 1.46 -1.24 0.18 -0.41 115.58 116.81 2x7r h ASN 553 Ca -0.04 -0.22 0.01 0.00 0.71 0.00 0.00 56.30 56.76 2x7r h ASN 553 Cb 1.43 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 40.19 2x7r h ASN 553 CO 0.13 0.98 -0.13 0.78 -1.29 0.00 0.00 177.43 177.90 2x7r h ASN 554 N 1.00 -0.37 -0.63 1.15 2.35 -0.73 -1.01 115.58 117.33 2x7r h ASN 554 Ca 0.21 0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.93 2x7r h ASN 554 Cb 0.38 0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.88 2x7r h ASN 554 CO 0.01 -0.19 0.12 -0.07 -1.65 0.00 0.00 177.43 175.64 2x7r h LEU 555 N -0.25 0.99 -0.43 1.61 3.38 -1.31 -1.38 115.31 117.91 2x7r h LEU 555 Ca 0.03 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.77 2x7r h LEU 555 Cb 0.28 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2x7r h LEU 555 CO -0.09 0.99 0.25 0.25 0.09 0.00 0.00 178.44 179.93 2x7r h LEU 556 N 0.95 0.41 -1.00 1.67 5.85 -0.96 -0.80 115.31 121.43 2x7r h LEU 556 Ca 0.20 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 2x7r h LEU 556 Cb 0.41 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2x7r h LEU 556 CO 0.01 0.29 -0.12 0.03 -0.34 0.00 0.00 178.44 178.31 2x7r h ARG 557 N 0.51 0.59 -0.35 1.25 3.08 -0.94 -1.49 114.38 117.03 2x7r h ARG 557 Ca 0.17 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2x7r h ARG 557 Cb 0.02 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2x7r h ARG 557 CO -0.08 0.70 0.14 0.00 -1.07 0.00 0.00 179.97 179.65 2x7r h ALA 558 N 1.33 0.46 -0.97 0.04 0.00 -0.91 -1.88 119.26 117.34 2x7r h ALA 558 Ca 0.10 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2x7r h ALA 558 Cb 0.53 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 2x7r h ALA 558 CO 0.03 0.07 0.64 0.82 0.00 0.00 0.00 179.25 180.81 2x7r h ILE 559 N 0.42 1.25 -0.60 0.00 2.04 -0.89 0.02 117.51 119.76 2x7r h ILE 559 Ca 0.12 -0.45 -0.08 0.00 1.00 0.00 0.00 64.86 65.45 2x7r h ILE 559 Cb 0.20 -0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.08 2x7r h ILE 559 CO -0.01 0.24 0.05 -0.33 0.00 0.00 0.00 178.15 178.10 2x7r h GLU 560 N 1.31 1.02 -0.23 2.37 5.08 -1.08 0.65 114.58 123.70 2x7r h GLU 560 Ca 0.35 -0.30 -0.14 0.00 -1.00 0.00 0.00 59.36 58.27 2x7r h GLU 560 Cb -0.15 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 2x7r h GLU 560 CO -0.08 0.98 -0.45 0.00 -1.00 0.00 0.00 179.01 178.47 2x7r h ALA 561 N 1.00 0.80 -0.56 3.43 0.00 -1.13 -2.23 119.26 120.58 2x7r h ALA 561 Ca 0.17 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 2x7r h ALA 561 Cb 0.49 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2x7r h ALA 561 CO 0.02 0.66 0.15 1.96 0.00 0.00 0.00 179.25 182.04 2x7r h GLN 562 N 0.46 0.88 -0.42 0.00 4.20 -0.77 -0.82 115.11 118.63 2x7r h GLN 562 Ca 0.03 -0.20 0.07 0.00 0.06 0.00 0.00 58.65 58.61 2x7r h GLN 562 Cb 0.96 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 28.56 2x7r h GLN 562 CO 0.09 0.82 0.08 0.37 -0.67 0.00 0.00 178.83 179.51 2x7r h GLN 563 N 0.79 0.20 -0.02 1.46 5.75 -0.73 0.18 115.11 122.73 2x7r h GLN 563 Ca 0.18 -0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.68 2x7r h GLN 563 Cb 0.32 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 2x7r h GLN 563 CO -0.00 0.13 -0.04 0.45 -2.65 0.00 0.00 178.83 176.72 2x7r h HIS 564 N 0.20 -0.10 -0.84 3.99 3.86 -1.23 -0.26 115.15 120.78 2x7r h HIS 564 Ca 0.21 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.54 2x7r h HIS 564 Cb 0.26 0.05 -0.06 0.00 1.06 0.00 0.00 27.41 28.72 2x7r h HIS 564 CO -0.21 -0.06 0.54 1.25 0.86 0.00 0.00 177.93 180.31 2x7r h LEU 565 N -0.06 0.66 -0.45 2.43 5.85 -0.88 -1.84 115.31 121.02 2x7r h LEU 565 Ca 0.02 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.66 2x7r h LEU 565 Cb 0.09 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 2x7r h LEU 565 CO -0.06 0.37 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.18 2x7r h LEU 566 N 0.72 0.92 -0.87 2.25 3.38 0.29 -2.39 115.31 119.60 2x7r h LEU 566 Ca 0.40 -0.38 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 2x7r h LEU 566 Cb 0.57 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2x7r h LEU 566 CO -0.17 1.09 -0.55 1.56 0.09 0.00 0.00 178.44 180.47 2x7r h GLN 567 N 0.74 0.05 -0.65 1.13 1.08 -0.46 -1.01 115.11 115.98 2x7r h GLN 567 Ca 0.11 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.21 2x7r h GLN 567 Cb 0.72 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.12 2x7r h GLN 567 CO 0.05 0.58 0.14 -0.07 -0.95 0.00 0.00 178.83 178.59 2x7r h LEU 568 N 0.04 1.00 -0.53 1.46 3.38 -1.25 0.14 115.31 119.55 2x7r h LEU 568 Ca -0.00 -0.24 -0.16 0.00 0.09 0.00 0.00 57.88 57.56 2x7r h LEU 568 Cb 0.98 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2x7r h LEU 568 CO 0.07 0.98 -0.61 0.71 0.09 0.00 0.00 178.44 179.69 2x7r h THR 569 N 0.97 1.35 0.85 0.22 1.35 -1.06 0.47 112.91 117.07 2x7r h THR 569 Ca 0.20 -1.92 -0.04 0.00 -0.55 0.00 0.00 66.41 64.10 2x7r h THR 569 Cb 0.38 1.91 0.01 0.00 -1.73 0.00 0.00 68.15 68.73 2x7r h THR 569 CO 0.01 0.58 -0.41 0.58 -0.25 0.00 0.00 175.52 176.03 2x7r h VAL 570 N 0.32 0.00 -0.78 6.82 2.07 -1.09 -0.51 116.25 123.09 2x7r h VAL 570 Ca -0.01 -0.14 0.07 0.00 0.82 0.00 0.00 66.70 67.44 2x7r h VAL 570 Cb 1.15 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.82 2x7r h VAL 570 CO 0.11 0.00 -0.47 -0.25 0.02 0.00 0.00 177.57 176.97 2x7r h TRP 571 N -1.29 -1.52 -0.98 1.57 7.01 -0.98 0.29 115.95 120.05 2x7r h TRP 571 Ca -0.12 0.10 0.34 0.00 2.11 0.00 0.00 58.89 61.32 2x7r h TRP 571 Cb 0.88 0.76 -0.16 0.00 -2.10 0.00 0.00 29.16 28.54 2x7r h TRP 571 CO 0.00 -0.30 0.43 0.78 -2.79 0.00 0.00 178.44 176.57 2x7r h GLY 572 N -0.02 1.93 1.88 2.65 0.00 -0.85 0.18 103.07 108.84 2x7r h GLY 572 Ca 0.12 -0.12 -0.20 0.00 0.00 0.00 0.00 47.33 47.13 2x7r h GLY 572 CO -0.74 -0.59 -0.92 -2.22 0.00 0.00 0.00 176.54 172.07 2x7r h ILE 573 N 0.15 1.57 0.00 2.60 2.04 0.11 -3.09 117.51 120.89 2x7r h ILE 573 Ca 0.73 -2.90 0.00 0.00 1.00 0.00 0.00 64.86 63.69 2x7r h ILE 573 Cb 1.74 2.61 0.00 0.00 -0.74 0.00 0.00 36.82 40.43 2x7r h ILE 573 CO -0.72 0.84 0.00 0.11 0.00 0.00 0.00 178.15 178.38 2x7r h LYS 574 N 0.05 0.00 0.00 2.37 1.57 0.24 -2.24 116.57 118.55 2x7r h LYS 574 Ca -0.04 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.56 2x7r h LYS 574 Cb 1.59 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.88 2x7r h LYS 574 CO 0.13 0.00 -0.92 1.96 -0.57 0.00 0.00 179.45 180.05 2x7r h GLN 575 N 0.00 0.00 0.00 3.15 1.08 -1.23 -2.01 115.11 116.10 2x7r h GLN 575 Ca 0.00 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.05 2x7r h GLN 575 Cb 0.68 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.09 2x7r h GLN 575 CO 0.00 0.75 -0.75 -0.07 -0.95 0.00 0.00 178.83 177.82 2x7r h LEU 576 N 0.00 0.00 0.08 1.46 3.38 -1.42 -3.10 115.31 115.71 2x7r h LEU 576 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2x7r h LEU 576 Cb 1.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.41 2x7r h LEU 576 CO 0.10 0.70 -0.04 1.56 0.09 0.00 0.00 178.44 180.86 2x7r h GLN 577 N 0.00 -0.10 -1.16 1.13 4.20 -1.46 -3.20 115.11 114.52 2x7r h GLN 577 Ca -0.02 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2x7r h GLN 577 Cb 1.55 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.35 2x7r h GLN 577 CO 0.09 0.44 0.00 0.00 -0.67 0.00 0.00 178.83 178.69 2x7r n ALA 578 N -2.49 2.23 0.00 3.87 0.00 -0.76 -0.62 120.51 122.74 2x7r n ALA 578 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2x7r n ALA 578 Cb 0.29 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.74 2x7r n ALA 578 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2x7r n ARG 579 N 0.54 2.98 -2.91 0.00 3.00 -1.17 -4.90 116.66 114.20 2x7r n ARG 579 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.41 2x7r n ARG 579 Cb 0.34 -0.29 0.01 0.00 0.00 0.00 0.00 32.46 32.52 2x7r n ARG 579 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2x7r n ILE 580 N -0.44 5.26 -0.50 0.55 5.41 0.21 -5.10 119.36 124.75 2x7r n ILE 580 Ca 0.00 -5.76 0.00 0.00 1.00 0.00 0.00 62.75 57.99 2x7r n ILE 580 Cb 0.00 -2.09 0.00 0.00 -0.71 0.00 0.00 39.64 36.84 2x7r n ILE 580 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73