#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9y s PHE 524 N 0.00 1.52 0.06 -0.32 0.08 -1.26 -5.13 117.98 112.92 2k9y s PHE 524 Ca 0.00 -0.35 -0.27 0.00 0.12 0.00 0.00 56.93 56.43 2k9y s PHE 524 Cb 0.00 -1.00 0.09 0.00 -0.57 0.00 0.00 43.02 41.54 2k9y s PHE 524 CO 0.00 -0.08 1.19 1.14 -0.10 0.00 0.00 175.22 177.36 2k9y s GLN 525 N -0.18 0.72 -0.14 0.44 0.00 -1.26 -5.17 119.66 114.07 2k9y s GLN 525 Ca 0.02 -0.44 -0.19 0.00 -0.00 0.00 0.00 55.36 54.74 2k9y s GLN 525 Cb -0.08 0.22 0.05 0.00 0.00 0.00 0.00 33.01 33.19 2k9y s GLN 525 CO 0.00 -0.34 0.50 0.95 0.00 0.00 0.00 175.29 176.41 2k9y s THR 526 N -2.32 0.01 0.00 3.63 -4.23 -1.26 -5.04 115.64 106.44 2k9y s THR 526 Ca 0.21 -0.09 0.01 0.00 -1.18 0.00 0.00 61.69 60.65 2k9y s THR 526 Cb 0.00 -0.74 0.02 0.00 1.34 0.00 0.00 72.50 73.13 2k9y s THR 526 CO 0.00 -0.05 0.73 0.00 -0.54 0.00 0.00 174.62 174.76 2k9y n LEU 527 N 2.23 -0.24 -4.95 4.79 -0.00 -1.26 -5.13 117.00 112.44 2k9y n LEU 527 Ca -0.16 -1.35 -0.25 0.00 -0.00 0.00 0.00 56.01 54.26 2k9y n LEU 527 Cb 0.56 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.96 2k9y n LEU 527 CO 0.14 1.05 -0.04 -0.44 -0.00 0.00 0.00 177.39 178.10 2k9y s SER 528 N -0.49 6.34 0.43 1.45 0.01 -1.26 -5.08 113.70 115.10 2k9y s SER 528 Ca 0.02 0.22 -0.24 0.00 1.31 0.00 0.00 55.95 57.26 2k9y s SER 528 Cb 0.02 -1.93 -0.08 0.00 0.21 0.00 0.00 66.02 64.24 2k9y s SER 528 CO -0.01 -0.02 1.17 -2.16 0.41 0.00 0.00 173.24 172.64 2k9y s PRO 529 N -3.49 3.88 -0.28 12.44 0.04 -1.26 -5.04 135.00 141.29 2k9y s PRO 529 Ca 0.36 1.82 -0.00 0.00 0.04 0.00 0.00 61.00 63.21 2k9y s PRO 529 Cb -0.10 -2.52 0.14 0.00 0.04 0.00 0.00 34.50 32.05 2k9y s PRO 529 CO 0.29 -0.46 0.32 -1.83 0.04 0.00 0.00 177.00 175.36 2k9y s GLU 530 N -2.53 0.33 -0.21 4.56 -1.05 -1.26 -5.01 118.70 113.54 2k9y s GLU 530 Ca 0.61 -0.00 0.23 0.00 -0.15 0.00 0.00 54.97 55.66 2k9y s GLU 530 Cb -0.30 -0.62 0.49 0.00 -0.44 0.00 0.00 34.13 33.26 2k9y s GLU 530 CO 0.37 -0.97 1.13 0.41 0.95 0.00 0.00 175.26 177.15 2k9y n GLY 531 N 5.32 1.63 3.03 -3.83 0.00 -1.26 -5.00 105.19 105.08 2k9y n GLY 531 Ca -0.02 -0.99 -0.05 0.00 0.00 0.00 0.00 46.02 44.96 2k9y n GLY 531 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k9y s SER 532 N -3.38 -0.52 0.00 1.61 1.04 -1.26 -5.11 113.70 106.09 2k9y s SER 532 Ca 0.28 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.05 2k9y s SER 532 Cb 0.33 1.48 0.00 0.00 0.10 0.00 0.00 66.02 67.93 2k9y s SER 532 CO -0.07 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.50 2k9y n GLY 533 N 4.81 3.08 0.26 7.32 0.00 -1.26 -4.87 105.19 114.54 2k9y n GLY 533 Ca 0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 2k9y n GLY 533 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2k9y h ASN 534 N 0.00 0.63 1.40 1.61 4.21 -2.02 -2.68 115.58 118.73 2k9y h ASN 534 Ca 0.00 -0.18 0.00 0.00 1.21 0.00 0.00 56.30 57.33 2k9y h ASN 534 Cb 0.00 -0.17 0.00 0.00 -1.12 0.00 0.00 38.32 37.03 2k9y h ASN 534 CO 0.00 0.79 -0.52 -0.07 -1.29 0.00 0.00 177.43 176.34 2k9y h LEU 535 N 0.58 0.00 -1.08 1.61 -0.00 -2.04 -3.31 115.31 111.07 2k9y h LEU 535 Ca 0.10 -0.02 -0.06 0.00 -0.00 0.00 0.00 57.88 57.89 2k9y h LEU 535 Cb 0.57 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.21 2k9y h LEU 535 CO 0.04 0.01 -0.03 0.00 -0.00 0.00 0.00 178.44 178.46 2k9y h ALA 536 N 2.08 1.24 -0.15 1.53 0.00 -1.81 -2.30 119.26 119.85 2k9y h ALA 536 Ca 0.00 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.71 2k9y h ALA 536 Cb 0.96 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2k9y h ALA 536 CO 0.00 0.50 0.27 0.28 0.00 0.00 0.00 179.25 180.30 2k9y h VAL 537 N 0.58 0.25 0.93 0.00 2.07 -1.63 -2.37 116.25 116.07 2k9y h VAL 537 Ca 0.12 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.59 2k9y h VAL 537 Cb 0.41 0.77 0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2k9y h VAL 537 CO 0.02 0.00 -0.45 0.40 0.02 0.00 0.00 177.57 177.56 2k9y h ILE 538 N 0.00 0.07 -0.75 4.57 2.04 -1.64 -2.41 117.51 119.40 2k9y h ILE 538 Ca 0.07 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.92 2k9y h ILE 538 Cb 0.61 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 2k9y h ILE 538 CO -0.00 0.00 0.49 1.23 0.00 0.00 0.00 178.15 179.87 2k9y h GLY 539 N -1.27 1.05 0.18 5.37 0.00 -1.60 0.19 103.07 107.00 2k9y h GLY 539 Ca -0.13 -0.39 0.09 0.00 0.00 0.00 0.00 47.33 46.90 2k9y h GLY 539 CO 0.21 0.38 -0.04 -1.33 0.00 0.00 0.00 176.54 175.76 2k9y h GLY 540 N 1.01 0.42 0.11 4.60 0.00 -1.46 0.34 103.07 108.10 2k9y h GLY 540 Ca 0.27 0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.69 2k9y h GLY 540 CO -0.06 -0.14 -0.02 -2.08 0.00 0.00 0.00 176.54 174.23 2k9y h VAL 541 N 0.07 0.98 -0.01 4.60 2.07 -1.21 -2.38 116.25 120.38 2k9y h VAL 541 Ca 0.23 -1.57 0.02 0.00 0.82 0.00 0.00 66.70 66.20 2k9y h VAL 541 Cb 0.35 1.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.86 2k9y h VAL 541 CO -0.42 0.31 -0.53 0.00 0.02 0.00 0.00 177.57 176.96 2k9y h ALA 542 N -0.38 -0.94 -0.23 1.67 0.00 -0.54 0.15 119.26 118.99 2k9y h ALA 542 Ca -0.01 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.84 2k9y h ALA 542 Cb 0.56 0.95 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 2k9y h ALA 542 CO 0.01 -1.10 0.07 0.28 0.00 0.00 0.00 179.25 178.51 2k9y h VAL 543 N -0.65 0.93 -0.94 0.00 2.07 -0.49 -2.09 116.25 115.09 2k9y h VAL 543 Ca 0.01 -0.06 0.19 0.00 0.82 0.00 0.00 66.70 67.67 2k9y h VAL 543 Cb 0.70 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 31.14 2k9y h VAL 543 CO -0.35 0.03 0.60 1.23 0.02 0.00 0.00 177.57 179.10 2k9y h GLY 544 N 0.18 1.16 1.00 2.17 0.00 -0.95 -0.56 103.07 106.07 2k9y h GLY 544 Ca 0.10 -0.25 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 2k9y h GLY 544 CO -0.11 -0.01 -0.20 -2.08 0.00 0.00 0.00 176.54 174.14 2k9y h VAL 545 N 0.54 1.28 0.10 4.60 2.07 -0.30 -2.74 116.25 121.81 2k9y h VAL 545 Ca 0.50 -1.34 0.02 0.00 0.82 0.00 0.00 66.70 66.71 2k9y h VAL 545 Cb 1.05 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 2k9y h VAL 545 CO -0.24 0.44 -0.31 0.58 0.02 0.00 0.00 177.57 178.06 2k9y h VAL 546 N 0.57 0.33 -0.32 2.57 2.07 -0.71 0.48 116.25 121.25 2k9y h VAL 546 Ca 0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.65 2k9y h VAL 546 Cb 0.75 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 2k9y h VAL 546 CO 0.06 0.00 0.02 -0.07 0.02 0.00 0.00 177.57 177.60 2k9y h LEU 547 N -0.52 -0.09 -1.33 2.57 3.38 -1.51 -1.32 115.31 116.49 2k9y h LEU 547 Ca 0.04 0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.14 2k9y h LEU 547 Cb 0.56 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 2k9y h LEU 547 CO -0.20 -0.01 0.50 0.25 0.09 0.00 0.00 178.44 179.07 2k9y h LEU 548 N 0.11 0.71 -0.98 1.67 7.12 -1.15 -1.35 115.31 121.45 2k9y h LEU 548 Ca 0.15 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.15 2k9y h LEU 548 Cb 0.20 -0.15 -0.04 0.00 -0.53 0.00 0.00 40.66 40.14 2k9y h LEU 548 CO -0.24 0.46 0.42 0.25 -0.13 0.00 0.00 178.44 179.20 2k9y h LEU 549 N 0.81 1.03 0.54 2.25 6.46 0.24 -2.32 115.31 124.31 2k9y h LEU 549 Ca 0.33 -0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 57.96 2k9y h LEU 549 Cb 0.26 -0.26 0.01 0.00 -0.73 0.00 0.00 40.66 39.93 2k9y h LEU 549 CO -0.11 0.84 -0.26 0.58 -0.62 0.00 0.00 178.44 178.87 2k9y h VAL 550 N 1.14 0.43 -0.99 1.05 2.07 -0.76 -2.14 116.25 117.04 2k9y h VAL 550 Ca 0.28 -0.21 0.19 0.00 0.82 0.00 0.00 66.70 67.79 2k9y h VAL 550 Cb 0.06 0.52 -0.10 0.00 -1.52 0.00 0.00 31.29 30.25 2k9y h VAL 550 CO -0.04 0.03 0.61 -0.07 0.02 0.00 0.00 177.57 178.13 2k9y h LEU 551 N -0.86 0.72 0.00 2.57 -0.00 -1.39 0.20 115.31 116.55 2k9y h LEU 551 Ca -0.07 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2k9y h LEU 551 Cb 0.61 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 2k9y h LEU 551 CO 0.12 0.26 0.00 0.00 -0.00 0.00 0.00 178.44 178.82 2k9y n ALA 552 N -2.36 -0.32 0.11 1.53 0.00 -0.88 -0.02 120.51 118.57 2k9y n ALA 552 Ca 0.23 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.52 2k9y n ALA 552 Cb 0.60 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.97 2k9y n ALA 552 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2k9y h GLY 553 N 0.00 -0.90 2.00 0.00 0.00 -1.24 0.67 103.07 103.60 2k9y h GLY 553 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.86 2k9y h GLY 553 CO 0.00 -0.27 0.00 -0.62 0.00 0.00 0.00 176.54 175.65 2k9y n VAL 554 N -5.47 0.95 -0.03 4.60 0.31 0.70 0.35 118.33 119.74 2k9y n VAL 554 Ca -0.07 0.60 -0.14 0.00 -0.01 0.00 0.00 64.34 64.72 2k9y n VAL 554 Cb 0.39 -1.58 -0.10 0.00 -0.91 0.00 0.00 33.84 31.64 2k9y n VAL 554 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2k9y h GLY 555 N 0.65 0.20 0.38 2.92 0.00 0.20 -3.08 103.07 104.34 2k9y h GLY 555 Ca 0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 47.33 46.90 2k9y h GLY 555 CO 0.00 0.23 -1.87 0.33 0.00 0.00 0.00 176.54 175.23 2k9y n PHE 556 N -4.61 0.38 0.82 5.60 7.35 -0.98 -4.05 117.46 121.96 2k9y n PHE 556 Ca -0.08 0.12 0.10 0.00 -0.76 0.00 0.00 57.45 56.83 2k9y n PHE 556 Cb 0.40 -0.88 0.47 0.00 0.35 0.00 0.00 39.48 39.82 2k9y n PHE 556 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2k9y n PHE 557 N -2.64 0.00 0.09 -5.13 7.35 0.16 -0.15 117.46 117.13 2k9y n PHE 557 Ca -0.15 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.58 2k9y n PHE 557 Cb 0.84 -0.40 -0.02 0.00 0.35 0.00 0.00 39.48 40.25 2k9y n PHE 557 CO 0.00 0.00 0.00 0.97 -0.76 0.00 0.00 176.76 176.97 2k9y h ILE 558 N 0.00 0.44 0.00 -2.13 2.10 -1.68 -3.38 117.51 112.87 2k9y h ILE 558 Ca 0.00 -1.76 -0.15 0.00 1.08 0.00 0.00 64.86 64.03 2k9y h ILE 558 Cb 0.27 2.01 -0.33 0.00 -1.09 0.00 0.00 36.82 37.68 2k9y h ILE 558 CO 0.00 0.25 -0.95 0.00 -1.08 0.00 0.00 178.15 176.37 2k9y n HIS 559 N -2.94 0.00 0.27 2.19 1.44 -1.04 -4.85 115.22 110.30 2k9y n HIS 559 Ca -0.04 -0.50 0.14 0.00 -2.01 0.00 0.00 57.72 55.31 2k9y n HIS 559 Cb 0.73 -0.14 0.66 0.00 0.12 0.00 0.00 29.99 31.36 2k9y n HIS 559 CO 0.00 0.00 0.00 0.07 -2.81 0.00 0.00 176.34 173.60 2k9y h ARG 560 N 0.88 0.00 -0.72 -1.40 -0.00 -0.72 -3.10 114.38 109.32 2k9y h ARG 560 Ca -0.19 0.00 -0.32 0.00 -0.00 0.00 0.00 59.98 59.47 2k9y h ARG 560 Cb 1.79 0.00 -0.32 0.00 -0.00 0.00 0.00 29.97 31.44 2k9y h ARG 560 CO 0.08 0.00 -0.94 0.54 -0.00 0.00 0.00 179.97 179.65 2k9y n ARG 561 N -2.46 1.15 -1.64 0.08 5.12 -1.26 -5.08 116.66 112.57 2k9y n ARG 561 Ca -0.00 -2.81 -0.50 0.00 -1.93 0.00 0.00 57.85 52.61 2k9y n ARG 561 Cb 0.13 -0.89 -0.05 0.00 -1.16 0.00 0.00 32.46 30.48 2k9y n ARG 561 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2k9y n ARG 562 N -0.21 1.65 0.00 5.56 0.00 -1.18 -5.20 116.66 117.28 2k9y n ARG 562 Ca 0.06 0.60 0.12 0.00 -0.00 0.00 0.00 57.85 58.62 2k9y n ARG 562 Cb 0.82 -2.31 0.71 0.00 -0.00 0.00 0.00 32.46 31.68 2k9y n ARG 562 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99