#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 2.88 0.01 -0.32 0.08 -1.26 -5.09 117.98 114.28 2k9y s PHE 524 Ca 0.00 -0.54 -0.28 0.00 0.12 0.00 0.00 56.93 56.23 2k9y s PHE 524 Cb 0.00 -1.88 0.10 0.00 -0.57 0.00 0.00 43.02 40.67 2k9y s PHE 524 CO 0.00 -0.16 1.25 1.14 -0.10 0.00 0.00 175.22 177.35 2k9y s GLN 525 N 0.35 0.52 -0.47 0.44 1.03 -1.26 -5.12 119.66 115.16 2k9y s GLN 525 Ca -0.09 -0.32 0.06 0.00 0.04 0.00 0.00 55.36 55.05 2k9y s GLN 525 Cb -0.15 0.16 0.18 0.00 0.03 0.00 0.00 33.01 33.22 2k9y s GLN 525 CO 0.05 -0.24 0.56 0.95 -2.54 0.00 0.00 175.29 174.07 2k9y s THR 526 N -2.23 -0.47 -0.26 3.63 -4.23 -1.26 -5.12 115.64 105.71 2k9y s THR 526 Ca 0.22 -1.59 -0.05 0.00 -1.18 0.00 0.00 61.69 59.09 2k9y s THR 526 Cb 0.01 -0.50 0.00 0.00 1.34 0.00 0.00 72.50 73.35 2k9y s THR 526 CO -0.01 -0.50 0.01 -0.76 -0.54 0.00 0.00 174.62 172.82 2k9y s LEU 527 N 0.62 3.37 0.63 4.79 1.43 -1.26 -4.90 118.68 123.36 2k9y s LEU 527 Ca 0.30 -0.61 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 2k9y s LEU 527 Cb 0.01 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 2k9y s LEU 527 CO -0.11 -0.11 1.09 -0.44 0.23 0.00 0.00 176.35 177.02 2k9y s SER 528 N 1.46 5.36 0.23 2.29 0.01 -1.26 -4.96 113.70 116.83 2k9y s SER 528 Ca 0.03 1.95 -0.00 0.00 1.31 0.00 0.00 55.95 59.24 2k9y s SER 528 Cb -0.16 -2.55 0.23 0.00 0.21 0.00 0.00 66.02 63.76 2k9y s SER 528 CO -0.01 -1.45 1.59 1.55 0.41 0.00 0.00 173.24 175.33 2k9y h PRO 529 N 0.23 0.51 -2.09 12.44 0.13 -2.04 -3.42 132.00 137.76 2k9y h PRO 529 Ca -0.47 -0.27 -0.25 0.00 -0.87 0.00 0.00 66.00 64.14 2k9y h PRO 529 Cb 1.24 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 32.06 2k9y h PRO 529 CO 0.55 0.84 -0.57 -1.83 -0.23 0.00 0.00 178.00 176.76 2k9y s GLU 530 N -4.18 0.31 0.00 0.86 -1.05 -1.26 -5.13 118.70 108.25 2k9y s GLU 530 Ca -0.07 0.17 0.00 0.00 -0.15 0.00 0.00 54.97 54.92 2k9y s GLU 530 Cb 0.12 -0.68 0.00 0.00 -0.44 0.00 0.00 34.13 33.14 2k9y s GLU 530 CO 0.82 -0.83 0.00 0.41 0.95 0.00 0.00 175.26 176.60 2k9y n GLY 531 N 5.33 -1.13 0.01 -3.83 0.00 -1.26 -5.02 105.19 99.29 2k9y n GLY 531 Ca -0.03 -1.17 -0.01 0.00 0.00 0.00 0.00 46.02 44.81 2k9y n GLY 531 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k9y n SER 532 N 2.01 4.20 -2.15 1.61 3.41 -1.26 -4.98 113.62 116.46 2k9y n SER 532 Ca 0.00 -0.01 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 2k9y n SER 532 Cb 0.00 0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 2k9y n SER 532 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k9y n GLY 533 N 3.04 -3.27 0.31 5.00 0.00 -1.26 -4.67 105.19 104.34 2k9y n GLY 533 Ca -0.04 0.20 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 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 1.54 0.88 0.70 1.61 2.35 -2.02 -2.77 115.58 117.87 2k9y h ASN 534 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2k9y h ASN 534 Cb 0.07 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.21 2k9y h ASN 534 CO 0.06 0.84 -1.26 0.18 -1.65 0.00 0.00 177.43 175.59 2k9y n LEU 535 N -4.27 0.61 -0.06 1.61 7.99 -1.26 -4.10 117.00 117.52 2k9y n LEU 535 Ca 0.05 0.22 -0.02 0.00 -0.01 0.00 0.00 56.01 56.24 2k9y n LEU 535 Cb 0.22 -0.05 0.22 0.00 -0.11 0.00 0.00 43.42 43.70 2k9y n LEU 535 CO 0.40 -0.12 0.90 0.00 -1.51 0.00 0.00 177.39 177.06 2k9y h ALA 536 N 2.04 1.22 -0.18 -1.18 0.00 -1.81 -2.32 119.26 117.02 2k9y h ALA 536 Ca 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.72 2k9y h ALA 536 Cb 0.98 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2k9y h ALA 536 CO 0.00 0.52 0.29 0.28 0.00 0.00 0.00 179.25 180.33 2k9y h VAL 537 N 0.62 0.27 0.98 0.00 2.07 -1.65 -2.39 116.25 116.16 2k9y h VAL 537 Ca 0.13 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.60 2k9y h VAL 537 Cb 0.41 0.75 0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2k9y h VAL 537 CO 0.02 0.00 -0.49 0.40 0.02 0.00 0.00 177.57 177.52 2k9y h ILE 538 N 0.00 0.01 -0.76 4.57 2.04 -1.66 -2.33 117.51 119.37 2k9y h ILE 538 Ca 0.09 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.96 2k9y h ILE 538 Cb 0.65 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 2k9y h ILE 538 CO -0.00 0.00 0.50 1.23 0.00 0.00 0.00 178.15 179.88 2k9y h GLY 539 N -1.34 1.08 0.18 5.37 0.00 -1.60 0.20 103.07 106.96 2k9y h GLY 539 Ca -0.13 -0.40 0.08 0.00 0.00 0.00 0.00 47.33 46.88 2k9y h GLY 539 CO 0.21 0.39 -0.10 -1.33 0.00 0.00 0.00 176.54 175.71 2k9y h GLY 540 N 1.03 0.30 0.14 4.60 0.00 -1.45 0.34 103.07 108.03 2k9y h GLY 540 Ca 0.28 0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.74 2k9y h GLY 540 CO -0.07 -0.16 -0.03 -2.08 0.00 0.00 0.00 176.54 174.21 2k9y h VAL 541 N 0.00 0.98 -0.01 4.60 2.07 -1.20 -2.42 116.25 120.27 2k9y h VAL 541 Ca 0.20 -1.53 0.02 0.00 0.82 0.00 0.00 66.70 66.20 2k9y h VAL 541 Cb 0.30 1.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 2k9y h VAL 541 CO -0.42 0.31 -0.51 0.00 0.02 0.00 0.00 177.57 176.96 2k9y h ALA 542 N -0.35 -0.92 -0.23 1.67 0.00 -0.53 0.26 119.26 119.16 2k9y h ALA 542 Ca -0.01 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2k9y h ALA 542 Cb 0.56 0.94 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 2k9y h ALA 542 CO 0.01 -1.08 0.02 0.28 0.00 0.00 0.00 179.25 178.48 2k9y h VAL 543 N -0.63 0.86 -0.95 0.00 2.07 -0.49 -1.98 116.25 115.13 2k9y h VAL 543 Ca 0.01 -0.03 0.18 0.00 0.82 0.00 0.00 66.70 67.69 2k9y h VAL 543 Cb 0.68 0.76 -0.08 0.00 -1.52 0.00 0.00 31.29 31.13 2k9y h VAL 543 CO -0.35 0.02 0.60 1.23 0.02 0.00 0.00 177.57 179.10 2k9y h GLY 544 N 0.09 1.30 1.11 2.17 0.00 -0.96 -0.21 103.07 106.56 2k9y h GLY 544 Ca 0.11 -0.28 -0.12 0.00 0.00 0.00 0.00 47.33 47.03 2k9y h GLY 544 CO -0.16 0.00 -0.15 -2.08 0.00 0.00 0.00 176.54 174.15 2k9y h VAL 545 N 0.62 1.27 0.04 4.60 2.07 -0.21 -2.70 116.25 121.93 2k9y h VAL 545 Ca 0.51 -1.32 0.01 0.00 0.82 0.00 0.00 66.70 66.72 2k9y h VAL 545 Cb 0.96 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2k9y h VAL 545 CO -0.26 0.46 -0.10 0.58 0.02 0.00 0.00 177.57 178.27 2k9y h VAL 546 N 0.90 0.75 -0.52 2.57 2.07 -0.62 -0.34 116.25 121.05 2k9y h VAL 546 Ca 0.13 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.70 2k9y h VAL 546 Cb 0.73 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 2k9y h VAL 546 CO 0.06 0.00 0.26 -0.07 0.02 0.00 0.00 177.57 177.84 2k9y h LEU 547 N -0.20 0.37 -1.11 2.57 3.38 -1.44 -1.80 115.31 117.08 2k9y h LEU 547 Ca 0.03 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2k9y h LEU 547 Cb 0.23 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 2k9y h LEU 547 CO -0.08 0.25 0.48 0.25 0.09 0.00 0.00 178.44 179.44 2k9y h LEU 548 N 0.51 0.96 -1.07 1.67 7.12 -1.16 -2.17 115.31 121.16 2k9y h LEU 548 Ca 0.23 -0.06 0.01 0.00 0.13 0.00 0.00 57.88 58.20 2k9y h LEU 548 Cb 0.15 -0.24 -0.05 0.00 -0.53 0.00 0.00 40.66 39.99 2k9y h LEU 548 CO -0.17 0.74 0.63 0.25 -0.13 0.00 0.00 178.44 179.76 2k9y h LEU 549 N 1.11 1.09 0.78 2.25 6.46 -0.21 -1.53 115.31 125.24 2k9y h LEU 549 Ca 0.29 -0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 57.98 2k9y h LEU 549 Cb -0.04 -0.27 0.01 0.00 -0.73 0.00 0.00 40.66 39.62 2k9y h LEU 549 CO -0.05 0.79 -0.37 0.58 -0.62 0.00 0.00 178.44 178.76 2k9y h VAL 550 N 1.28 0.00 -0.69 1.05 2.07 -0.93 -2.24 116.25 116.80 2k9y h VAL 550 Ca 0.35 -0.16 0.20 0.00 0.82 0.00 0.00 66.70 67.91 2k9y h VAL 550 Cb -0.15 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.59 2k9y h VAL 550 CO -0.08 0.00 0.52 -0.07 0.02 0.00 0.00 177.57 177.97 2k9y h LEU 551 N -1.20 0.00 0.00 2.57 -0.00 -1.41 0.15 115.31 115.42 2k9y h LEU 551 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 2k9y h LEU 551 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.46 2k9y h LEU 551 CO 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.61 2k9y n ALA 552 N -2.62 -0.14 0.04 1.53 0.00 -0.58 -0.98 120.51 117.75 2k9y n ALA 552 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.47 2k9y n ALA 552 Cb 0.78 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.17 0.75 0.00 0.00 -1.27 -1.17 103.07 101.21 2k9y h GLY 553 Ca 0.00 0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.57 2k9y h GLY 553 CO 0.00 -0.15 0.47 -2.08 0.00 0.00 0.00 176.54 174.78 2k9y h VAL 554 N -0.24 1.04 0.00 4.60 2.07 -0.86 0.28 116.25 123.14 2k9y h VAL 554 Ca 0.06 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 2k9y h VAL 554 Cb 0.32 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 2k9y h VAL 554 CO -0.18 0.16 -0.01 1.23 0.02 0.00 0.00 177.57 178.79 2k9y h GLY 555 N 0.88 0.00 0.55 2.17 0.00 -0.58 -2.71 103.07 103.38 2k9y h GLY 555 Ca 0.33 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.38 2k9y h GLY 555 CO -0.16 0.00 -1.94 0.33 0.00 0.00 0.00 176.54 174.77 2k9y n PHE 556 N -3.12 0.56 0.36 5.60 -0.00 -0.25 -3.78 117.46 116.82 2k9y n PHE 556 Ca -0.01 0.20 0.11 0.00 -0.00 0.00 0.00 57.45 57.75 2k9y n PHE 556 Cb 0.23 -1.06 0.47 0.00 -0.00 0.00 0.00 39.48 39.12 2k9y n PHE 556 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 2k9y n PHE 557 N -2.86 0.68 -0.02 -5.13 3.72 0.81 -0.09 117.46 114.56 2k9y n PHE 557 Ca -0.21 0.28 0.06 0.00 -0.05 0.00 0.00 57.45 57.53 2k9y n PHE 557 Cb 1.03 -0.95 -0.16 0.00 -0.94 0.00 0.00 39.48 38.46 2k9y n PHE 557 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 176.76 178.22 2k9y n ILE 558 N -2.13 0.36 0.01 4.37 3.06 -1.17 -4.34 119.36 119.52 2k9y n ILE 558 Ca 0.02 -0.59 0.09 0.00 -2.50 0.00 0.00 62.75 59.77 2k9y n ILE 558 Cb 0.19 -0.14 -0.12 0.00 0.54 0.00 0.00 39.64 40.11 2k9y n ILE 558 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 2k9y n HIS 559 N -2.40 0.29 -2.07 9.51 8.25 -0.88 -4.55 115.22 123.36 2k9y n HIS 559 Ca -0.10 0.09 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 2k9y n HIS 559 Cb 0.71 -0.69 -0.02 0.00 1.12 0.00 0.00 29.99 31.10 2k9y n HIS 559 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 2k9y s ARG 560 N -3.36 4.31 -1.66 -0.41 1.04 0.87 -2.22 118.95 117.52 2k9y s ARG 560 Ca -0.06 2.25 0.00 0.00 -1.04 0.00 0.00 55.73 56.88 2k9y s ARG 560 Cb 0.12 -3.10 0.00 0.00 -2.04 0.00 0.00 34.95 29.93 2k9y s ARG 560 CO 0.87 -0.32 0.00 0.54 -0.04 0.00 0.00 175.30 176.35 2k9y n ARG 561 N 1.76 -1.64 -0.13 3.89 5.12 -1.26 -4.69 116.66 119.71 2k9y n ARG 561 Ca 0.04 0.93 0.02 0.00 -1.93 0.00 0.00 57.85 56.91 2k9y n ARG 561 Cb 0.41 -5.41 -0.00 0.00 -1.16 0.00 0.00 32.46 26.29 2k9y n ARG 561 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2k9y n ARG 562 N -2.53 -0.27 0.00 5.56 5.12 -0.94 -5.19 116.66 118.41 2k9y n ARG 562 Ca -0.19 0.18 0.01 0.00 -1.93 0.00 0.00 57.85 55.91 2k9y n ARG 562 Cb 0.61 -0.33 0.00 0.00 -1.16 0.00 0.00 32.46 31.59 2k9y n ARG 562 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33