#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 3.60 0.03 4.31 5.36 -1.26 -5.06 117.98 124.96 2k9y s PHE 524 Ca 0.00 0.96 0.01 0.00 -0.96 0.00 0.00 56.93 56.94 2k9y s PHE 524 Cb 0.00 -2.49 -0.00 0.00 -0.34 0.00 0.00 43.02 40.19 2k9y s PHE 524 CO 0.00 0.33 0.03 1.04 -1.46 0.00 0.00 175.22 175.15 2k9y n GLN 525 N 3.02 0.04 -2.77 10.12 1.13 -1.26 -5.09 117.38 122.57 2k9y n GLN 525 Ca -0.09 -0.27 -0.02 0.00 -1.94 0.00 0.00 57.00 54.68 2k9y n GLN 525 Cb 0.52 0.23 0.07 0.00 0.11 0.00 0.00 30.24 31.17 2k9y n GLN 525 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2k9y n THR 526 N -0.05 0.85 -2.78 5.09 -2.24 -1.26 -5.14 114.28 108.75 2k9y n THR 526 Ca 0.01 -2.38 0.10 0.00 -2.27 0.00 0.00 64.05 59.51 2k9y n THR 526 Cb 0.05 1.13 -0.03 0.00 -2.10 0.00 0.00 70.33 69.39 2k9y n THR 526 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2k9y n LEU 527 N -0.77 0.00 -4.83 3.22 4.77 -1.26 -4.79 117.00 113.34 2k9y n LEU 527 Ca 0.00 0.81 -0.32 0.00 -0.03 0.00 0.00 56.01 56.47 2k9y n LEU 527 Cb 0.83 -2.29 0.01 0.00 -2.33 0.00 0.00 43.42 39.64 2k9y n LEU 527 CO 0.03 -2.09 0.71 -0.94 -1.33 0.00 0.00 177.39 173.77 2k9y s SER 528 N -5.51 5.95 0.05 -1.43 1.04 -1.26 -5.00 113.70 107.55 2k9y s SER 528 Ca 0.00 1.65 -0.31 0.00 0.48 0.00 0.00 55.95 57.77 2k9y s SER 528 Cb 0.00 -2.51 -0.07 0.00 0.10 0.00 0.00 66.02 63.55 2k9y s SER 528 CO 0.00 -1.05 1.41 -2.16 0.98 0.00 0.00 173.24 172.41 2k9y s PRO 529 N -4.49 4.30 -0.30 4.02 0.04 -1.26 -5.01 135.00 132.30 2k9y s PRO 529 Ca 0.60 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.65 2k9y s PRO 529 Cb -0.13 -3.43 0.10 0.00 0.04 0.00 0.00 34.50 31.07 2k9y s PRO 529 CO 0.43 -0.52 0.10 -1.21 0.04 0.00 0.00 177.00 175.84 2k9y s GLU 530 N 1.83 0.60 0.00 4.56 2.02 -1.26 -4.74 118.70 121.70 2k9y s GLU 530 Ca 0.65 -0.95 0.00 0.00 0.02 0.00 0.00 54.97 54.69 2k9y s GLU 530 Cb -0.34 -1.81 0.00 0.00 0.10 0.00 0.00 34.13 32.08 2k9y s GLU 530 CO 0.29 -0.99 0.00 0.41 0.02 0.00 0.00 175.26 174.98 2k9y n GLY 531 N 4.94 -0.56 1.73 -1.39 0.00 -1.26 -5.06 105.19 103.59 2k9y n GLY 531 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 0.03 0.00 1.61 3.41 -1.26 -4.92 113.62 112.49 2k9y n SER 532 Ca 0.00 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 2k9y n SER 532 Cb 0.00 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 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 1.93 4.11 0.25 5.00 0.00 -1.26 -4.90 105.19 110.31 2k9y n GLY 533 Ca 0.00 -0.49 0.11 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 1.52 1.61 2.35 -2.03 -1.84 115.58 117.20 2k9y h ASN 534 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2k9y h ASN 534 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 2k9y h ASN 534 CO 0.00 0.17 -0.02 -0.07 -1.65 0.00 0.00 177.43 175.86 2k9y h LEU 535 N 0.00 0.00 -1.01 1.61 -0.00 -2.00 -3.13 115.31 110.78 2k9y h LEU 535 Ca -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.80 2k9y h LEU 535 Cb 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.08 2k9y h LEU 535 CO 0.02 0.02 -0.08 0.00 -0.00 0.00 0.00 178.44 178.40 2k9y h ALA 536 N 1.98 1.17 -0.16 1.53 0.00 -1.68 -2.41 119.26 119.69 2k9y h ALA 536 Ca -0.00 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.69 2k9y h ALA 536 Cb 0.78 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2k9y h ALA 536 CO 0.00 0.53 0.28 0.28 0.00 0.00 0.00 179.25 180.35 2k9y h VAL 537 N 0.58 0.25 0.93 0.00 2.07 -1.65 -2.35 116.25 116.08 2k9y h VAL 537 Ca 0.11 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.58 2k9y h VAL 537 Cb 0.49 0.75 0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2k9y h VAL 537 CO 0.03 0.00 -0.45 0.40 0.02 0.00 0.00 177.57 177.57 2k9y h ILE 538 N 0.00 0.08 -0.70 4.57 2.04 -1.62 -2.36 117.51 119.52 2k9y h ILE 538 Ca 0.08 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 2k9y h ILE 538 Cb 0.64 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 2k9y h ILE 538 CO -0.00 0.00 0.45 1.23 0.00 0.00 0.00 178.15 179.83 2k9y h GLY 539 N -1.26 1.00 0.16 5.37 0.00 -1.60 0.20 103.07 106.95 2k9y h GLY 539 Ca -0.13 -0.39 0.09 0.00 0.00 0.00 0.00 47.33 46.89 2k9y h GLY 539 CO 0.21 0.38 -0.09 -1.33 0.00 0.00 0.00 176.54 175.71 2k9y h GLY 540 N 0.95 0.33 0.14 4.60 0.00 -1.46 0.33 103.07 107.96 2k9y h GLY 540 Ca 0.25 0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.71 2k9y h GLY 540 CO -0.05 -0.16 -0.03 -2.08 0.00 0.00 0.00 176.54 174.22 2k9y h VAL 541 N 0.01 0.98 0.00 4.60 2.07 -1.23 -2.40 116.25 120.29 2k9y h VAL 541 Ca 0.21 -1.54 0.02 0.00 0.82 0.00 0.00 66.70 66.21 2k9y h VAL 541 Cb 0.32 1.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 2k9y h VAL 541 CO -0.43 0.31 -0.49 0.00 0.02 0.00 0.00 177.57 176.97 2k9y h ALA 542 N -0.36 -0.92 -0.26 1.67 0.00 -0.52 0.07 119.26 118.95 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 0.92 -0.03 0.00 0.00 0.00 0.00 17.79 19.24 2k9y h ALA 542 CO 0.01 -1.07 0.05 0.28 0.00 0.00 0.00 179.25 178.53 2k9y h VAL 543 N -0.62 0.87 -0.92 0.00 2.07 -0.50 -1.88 116.25 115.26 2k9y h VAL 543 Ca 0.01 -0.05 0.19 0.00 0.82 0.00 0.00 66.70 67.67 2k9y h VAL 543 Cb 0.67 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 2k9y h VAL 543 CO -0.33 0.03 0.60 1.23 0.02 0.00 0.00 177.57 179.12 2k9y h GLY 544 N 0.14 1.09 1.04 2.17 0.00 -0.96 -0.43 103.07 106.13 2k9y h GLY 544 Ca 0.12 -0.23 -0.13 0.00 0.00 0.00 0.00 47.33 47.09 2k9y h GLY 544 CO -0.16 -0.00 -0.26 -2.08 0.00 0.00 0.00 176.54 174.04 2k9y h VAL 545 N 0.51 1.28 -0.03 4.60 2.07 -0.19 -2.74 116.25 121.76 2k9y h VAL 545 Ca 0.49 -1.41 0.03 0.00 0.82 0.00 0.00 66.70 66.62 2k9y h VAL 545 Cb 1.07 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 2k9y h VAL 545 CO -0.22 0.47 -0.16 0.58 0.02 0.00 0.00 177.57 178.26 2k9y h VAL 546 N 0.65 0.60 -0.29 2.57 2.07 -0.67 0.18 116.25 121.36 2k9y h VAL 546 Ca 0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.63 2k9y h VAL 546 Cb 0.83 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2k9y h VAL 546 CO 0.07 0.00 0.09 -0.07 0.02 0.00 0.00 177.57 177.68 2k9y h LEU 547 N -0.25 0.09 -1.18 2.57 3.38 -1.48 -1.93 115.31 116.51 2k9y h LEU 547 Ca 0.06 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.11 2k9y h LEU 547 Cb 0.34 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 2k9y h LEU 547 CO -0.18 0.09 0.57 0.25 0.09 0.00 0.00 178.44 179.26 2k9y h LEU 548 N 0.22 0.90 -0.97 1.67 7.12 -1.15 -1.72 115.31 121.37 2k9y h LEU 548 Ca 0.13 -0.00 0.01 0.00 0.13 0.00 0.00 57.88 58.14 2k9y h LEU 548 Cb 0.11 -0.20 -0.05 0.00 -0.53 0.00 0.00 40.66 39.99 2k9y h LEU 548 CO -0.14 0.60 0.63 0.25 -0.13 0.00 0.00 178.44 179.65 2k9y h LEU 549 N 1.03 1.13 0.74 2.25 6.46 -0.20 -1.87 115.31 124.86 2k9y h LEU 549 Ca 0.36 -0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 58.04 2k9y h LEU 549 Cb 0.11 -0.28 0.01 0.00 -0.73 0.00 0.00 40.66 39.77 2k9y h LEU 549 CO -0.12 0.83 -0.36 0.58 -0.62 0.00 0.00 178.44 178.76 2k9y h VAL 550 N 1.33 0.21 -1.00 1.05 2.07 -0.85 -1.64 116.25 117.41 2k9y h VAL 550 Ca 0.35 -0.11 0.19 0.00 0.82 0.00 0.00 66.70 67.95 2k9y h VAL 550 Cb -0.13 0.24 -0.10 0.00 -1.52 0.00 0.00 31.29 29.78 2k9y h VAL 550 CO -0.07 0.01 0.61 -0.07 0.02 0.00 0.00 177.57 178.07 2k9y h LEU 551 N -1.09 0.79 0.00 2.57 -0.00 -1.38 0.25 115.31 116.45 2k9y h LEU 551 Ca -0.10 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2k9y h LEU 551 Cb 0.78 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 2k9y h LEU 551 CO 0.17 0.29 0.00 0.00 -0.00 0.00 0.00 178.44 178.90 2k9y n ALA 552 N -2.33 -0.31 0.12 1.53 0.00 -0.71 -0.04 120.51 118.77 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 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.98 2.00 0.00 0.00 -1.17 0.44 103.07 103.36 2k9y h GLY 553 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.89 2k9y h GLY 553 CO 0.00 -0.28 0.00 -2.08 0.00 0.00 0.00 176.54 174.18 2k9y h VAL 554 N -0.71 0.00 0.03 4.60 2.07 -0.64 0.44 116.25 122.03 2k9y h VAL 554 Ca 0.01 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2k9y h VAL 554 Cb 0.72 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2k9y h VAL 554 CO -0.25 0.00 -0.01 1.23 0.02 0.00 0.00 177.57 178.56 2k9y h GLY 555 N 0.37 -0.04 0.72 2.17 0.00 0.18 -3.06 103.07 103.41 2k9y h GLY 555 Ca 0.00 0.01 -0.24 0.00 0.00 0.00 0.00 47.33 47.10 2k9y h GLY 555 CO 0.00 -0.01 -1.75 0.33 0.00 0.00 0.00 176.54 175.10 2k9y n PHE 556 N -4.84 0.73 0.66 5.60 -0.00 -0.99 -3.81 117.46 114.80 2k9y n PHE 556 Ca -0.09 0.25 0.08 0.00 -0.00 0.00 0.00 57.45 57.69 2k9y n PHE 556 Cb 0.28 -1.07 0.37 0.00 -0.00 0.00 0.00 39.48 39.06 2k9y n PHE 556 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2k9y n PHE 557 N -2.88 0.00 -0.02 -5.13 7.35 0.15 0.21 117.46 117.14 2k9y n PHE 557 Ca -0.17 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.57 2k9y n PHE 557 Cb 0.96 -0.38 -0.13 0.00 0.35 0.00 0.00 39.48 40.28 2k9y n PHE 557 CO 0.00 0.00 0.00 1.51 -0.76 0.00 0.00 176.76 177.51 2k9y n ILE 558 N -1.38 0.24 -2.74 -2.13 3.06 -1.16 -4.64 119.36 110.62 2k9y n ILE 558 Ca 0.06 -0.46 -0.05 0.00 -2.50 0.00 0.00 62.75 59.80 2k9y n ILE 558 Cb 0.15 -0.04 0.05 0.00 0.54 0.00 0.00 39.64 40.33 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 -2.21 0.88 0.23 9.51 8.25 -0.95 -4.91 115.22 126.02 2k9y n HIS 559 Ca -0.08 -2.43 0.17 0.00 -0.26 0.00 0.00 57.72 55.12 2k9y n HIS 559 Cb 0.58 -0.13 0.86 0.00 1.12 0.00 0.00 29.99 32.41 2k9y n HIS 559 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 2k9y h ARG 560 N 2.70 0.00 -0.44 -0.41 -0.00 -0.51 -3.13 114.38 112.60 2k9y h ARG 560 Ca -0.14 0.00 -0.28 0.00 -0.00 0.00 0.00 59.98 59.56 2k9y h ARG 560 Cb 1.23 0.00 -0.26 0.00 -0.00 0.00 0.00 29.97 30.93 2k9y h ARG 560 CO 0.31 0.00 -0.73 0.54 -0.00 0.00 0.00 179.97 180.09 2k9y n ARG 561 N -3.75 1.20 -1.59 0.08 1.74 -1.26 -5.09 116.66 107.98 2k9y n ARG 561 Ca 0.01 -2.46 -0.47 0.00 -0.77 0.00 0.00 57.85 54.16 2k9y n ARG 561 Cb 0.28 -0.58 -0.03 0.00 -1.02 0.00 0.00 32.46 31.11 2k9y n ARG 561 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2k9y n ARG 562 N -0.41 1.35 0.00 5.56 -4.01 -1.19 -5.24 116.66 112.72 2k9y n ARG 562 Ca 0.02 0.48 0.05 0.00 -1.04 0.00 0.00 57.85 57.35 2k9y n ARG 562 Cb 0.84 -1.95 0.29 0.00 -3.04 0.00 0.00 32.46 28.59 2k9y n ARG 562 CO 0.00 0.00 0.00 1.63 -3.04 0.00 0.00 177.63 176.22