#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 2.58 0.24 -0.32 -0.12 -1.26 -5.12 117.98 113.98 2k9y s PHE 524 Ca 0.00 -0.24 -0.18 0.00 -0.05 0.00 0.00 56.93 56.45 2k9y s PHE 524 Cb 0.00 -1.47 0.07 0.00 -0.63 0.00 0.00 43.02 40.98 2k9y s PHE 524 CO 0.00 0.26 0.91 0.00 -0.05 0.00 0.00 175.22 176.34 2k9y n GLN 525 N 1.56 0.76 -0.80 1.99 0.00 -1.26 -5.07 117.38 114.56 2k9y n GLN 525 Ca -0.16 -1.62 -0.02 0.00 0.00 0.00 0.00 57.00 55.19 2k9y n GLN 525 Cb 0.52 2.13 -0.03 0.00 0.00 0.00 0.00 30.24 32.87 2k9y n GLN 525 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2k9y n THR 526 N -0.63 0.00 -2.68 -0.39 -2.24 -1.26 -4.96 114.28 102.11 2k9y n THR 526 Ca -0.04 -0.10 -0.22 0.00 -2.27 0.00 0.00 64.05 61.42 2k9y n THR 526 Cb 0.56 0.36 -0.00 0.00 -2.10 0.00 0.00 70.33 69.14 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 0.05 3.46 -3.59 3.22 4.32 -1.26 -4.96 117.00 118.24 2k9y n LEU 527 Ca -0.11 -4.90 -0.28 0.00 -0.02 0.00 0.00 56.01 50.70 2k9y n LEU 527 Cb 0.67 -0.14 -0.12 0.00 -1.62 0.00 0.00 43.42 42.21 2k9y n LEU 527 CO -0.06 2.09 -0.25 -0.94 -1.22 0.00 0.00 177.39 177.01 2k9y s SER 528 N -3.31 3.01 0.81 -1.43 1.04 -1.26 -5.13 113.70 107.42 2k9y s SER 528 Ca 0.42 -2.83 -0.11 0.00 0.48 0.00 0.00 55.95 53.91 2k9y s SER 528 Cb 0.39 -0.80 0.08 0.00 0.10 0.00 0.00 66.02 65.78 2k9y s SER 528 CO -0.11 -0.22 1.09 -2.16 0.98 0.00 0.00 173.24 172.82 2k9y s PRO 529 N 0.17 1.99 -0.28 4.02 0.04 -1.26 -5.07 135.00 134.62 2k9y s PRO 529 Ca 0.23 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2k9y s PRO 529 Cb -0.13 -1.87 0.17 0.00 0.04 0.00 0.00 34.50 32.70 2k9y s PRO 529 CO -0.08 -1.80 0.49 -1.83 0.04 0.00 0.00 177.00 173.82 2k9y s GLU 530 N -4.92 0.46 0.00 4.56 -1.05 -1.26 -4.94 118.70 111.56 2k9y s GLU 530 Ca 0.62 0.58 0.00 0.00 -0.15 0.00 0.00 54.97 56.02 2k9y s GLU 530 Cb -0.17 -0.01 0.00 0.00 -0.44 0.00 0.00 34.13 33.50 2k9y s GLU 530 CO 0.56 -0.80 0.00 0.41 0.95 0.00 0.00 175.26 176.39 2k9y n GLY 531 N 5.39 1.31 1.94 -3.83 0.00 -1.26 -5.03 105.19 103.71 2k9y n GLY 531 Ca -0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 0.00 1.61 3.41 -1.26 -5.03 113.62 112.35 2k9y n SER 532 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2k9y n SER 532 Cb 0.00 0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 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 -1.37 4.37 0.11 5.00 0.00 -1.26 -4.99 105.19 107.04 2k9y n GLY 533 Ca 0.00 -0.57 0.06 0.00 0.00 0.00 0.00 46.02 45.51 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 1.50 1.61 2.35 -2.03 -3.32 115.58 115.69 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 0.27 0.00 -0.07 -1.65 0.00 0.00 177.43 175.98 2k9y h LEU 535 N 0.00 0.00 -1.05 1.61 -0.00 -2.03 -3.13 115.31 110.71 2k9y h LEU 535 Ca -0.08 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.73 2k9y h LEU 535 Cb 1.28 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.92 2k9y h LEU 535 CO 0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 178.44 178.37 2k9y h ALA 536 N 2.04 1.21 -0.17 1.53 0.00 -1.95 -2.39 119.26 119.54 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 0.75 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2k9y h ALA 536 CO 0.00 0.51 0.28 0.28 0.00 0.00 0.00 179.25 180.33 2k9y h VAL 537 N 0.53 0.25 1.01 0.00 2.07 -1.75 -2.41 116.25 115.96 2k9y h VAL 537 Ca 0.10 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.57 2k9y h VAL 537 Cb 0.48 0.75 0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2k9y h VAL 537 CO 0.03 0.00 -0.49 0.40 0.02 0.00 0.00 177.57 177.53 2k9y h ILE 538 N 0.00 0.00 -0.75 4.57 2.04 -1.63 -2.36 117.51 119.38 2k9y h ILE 538 Ca 0.08 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.95 2k9y h ILE 538 Cb 0.65 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 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 -1.36 1.07 0.17 5.37 0.00 -1.61 0.19 103.07 106.91 2k9y h GLY 539 Ca -0.14 -0.38 0.07 0.00 0.00 0.00 0.00 47.33 46.88 2k9y h GLY 539 CO 0.23 0.36 -0.15 -1.33 0.00 0.00 0.00 176.54 175.65 2k9y h GLY 540 N 0.99 0.14 0.19 4.60 0.00 -1.46 0.34 103.07 107.87 2k9y h GLY 540 Ca 0.28 0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.80 2k9y h GLY 540 CO -0.08 -0.17 -0.04 -2.08 0.00 0.00 0.00 176.54 174.17 2k9y h VAL 541 N -0.09 0.95 -0.01 4.60 2.07 -1.22 -2.48 116.25 120.08 2k9y h VAL 541 Ca 0.18 -1.44 0.02 0.00 0.82 0.00 0.00 66.70 66.27 2k9y h VAL 541 Cb 0.35 1.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 2k9y h VAL 541 CO -0.41 0.29 -0.46 0.00 0.02 0.00 0.00 177.57 177.00 2k9y h ALA 542 N -0.34 -0.88 -0.24 1.67 0.00 -0.55 0.06 119.26 118.97 2k9y h ALA 542 Ca -0.01 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2k9y h ALA 542 Cb 0.55 0.90 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 2k9y h ALA 542 CO 0.02 -1.03 -0.07 0.28 0.00 0.00 0.00 179.25 178.45 2k9y h VAL 543 N -0.57 0.74 -0.91 0.00 2.07 -0.49 -1.45 116.25 115.64 2k9y h VAL 543 Ca 0.01 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.73 2k9y h VAL 543 Cb 0.62 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 2k9y h VAL 543 CO -0.32 0.00 0.60 1.23 0.02 0.00 0.00 177.57 179.10 2k9y h GLY 544 N -0.01 1.00 1.17 2.17 0.00 -0.98 0.02 103.07 106.43 2k9y h GLY 544 Ca 0.12 -0.22 -0.14 0.00 0.00 0.00 0.00 47.33 47.09 2k9y h GLY 544 CO -0.26 -0.00 -0.27 -2.08 0.00 0.00 0.00 176.54 173.93 2k9y h VAL 545 N 0.47 1.27 0.34 4.60 2.07 0.07 -2.71 116.25 122.37 2k9y h VAL 545 Ca 0.48 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 2k9y h VAL 545 Cb 1.09 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 2k9y h VAL 545 CO -0.20 0.49 -0.22 0.58 0.02 0.00 0.00 177.57 178.24 2k9y h VAL 546 N 0.79 0.54 -0.48 2.57 2.07 -0.55 -1.26 116.25 119.93 2k9y h VAL 546 Ca 0.09 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.68 2k9y h VAL 546 Cb 0.85 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 2k9y h VAL 546 CO 0.07 0.00 0.15 -0.07 0.02 0.00 0.00 177.57 177.74 2k9y h LEU 547 N -0.54 0.12 -1.18 2.57 -0.00 -1.49 -1.20 115.31 113.59 2k9y h LEU 547 Ca -0.03 0.07 0.06 0.00 -0.00 0.00 0.00 57.88 57.97 2k9y h LEU 547 Cb 0.45 0.06 -0.06 0.00 -0.00 0.00 0.00 40.66 41.12 2k9y h LEU 547 CO 0.03 0.10 0.57 0.25 -0.00 0.00 0.00 178.44 179.39 2k9y h LEU 548 N 0.31 0.87 -1.03 1.67 7.12 -1.27 -1.40 115.31 121.57 2k9y h LEU 548 Ca 0.23 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.22 2k9y h LEU 548 Cb 0.26 -0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 40.17 2k9y h LEU 548 CO -0.26 0.56 0.36 0.25 -0.13 0.00 0.00 178.44 179.23 2k9y h LEU 549 N 0.99 0.95 0.58 2.25 6.46 -0.01 -2.52 115.31 124.00 2k9y h LEU 549 Ca 0.37 -0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 58.01 2k9y h LEU 549 Cb 0.20 -0.24 0.01 0.00 -0.73 0.00 0.00 40.66 39.89 2k9y h LEU 549 CO -0.14 0.79 -0.28 0.58 -0.62 0.00 0.00 178.44 178.78 2k9y h VAL 550 N 1.04 0.40 -0.95 1.05 2.07 -0.77 -2.46 116.25 116.63 2k9y h VAL 550 Ca 0.26 -0.14 0.21 0.00 0.82 0.00 0.00 66.70 67.85 2k9y h VAL 550 Cb 0.09 0.46 -0.08 0.00 -1.52 0.00 0.00 31.29 30.24 2k9y h VAL 550 CO -0.03 0.02 0.61 -0.07 0.02 0.00 0.00 177.57 178.12 2k9y h LEU 551 N -0.87 0.53 0.00 2.57 -0.00 -1.39 0.16 115.31 116.31 2k9y h LEU 551 Ca -0.08 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 2k9y h LEU 551 Cb 0.63 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.26 2k9y h LEU 551 CO 0.13 0.20 0.00 0.00 -0.00 0.00 0.00 178.44 178.77 2k9y n ALA 552 N -2.46 -0.26 0.11 1.53 0.00 -0.96 0.01 120.51 118.48 2k9y n ALA 552 Ca 0.21 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.52 2k9y n ALA 552 Cb 0.68 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.72 2.00 0.00 0.00 -1.30 0.32 103.07 103.38 2k9y h GLY 553 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.77 2k9y h GLY 553 CO 0.00 -0.26 0.00 -0.62 0.00 0.00 0.00 176.54 175.66 2k9y n VAL 554 N -5.44 1.04 -0.03 4.60 0.31 0.53 0.36 118.33 119.70 2k9y n VAL 554 Ca -0.07 0.57 -0.15 0.00 -0.01 0.00 0.00 64.34 64.69 2k9y n VAL 554 Cb 0.36 -1.55 -0.11 0.00 -0.91 0.00 0.00 33.84 31.63 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 0.68 0.21 0.33 2.92 0.00 0.18 -3.19 103.07 104.20 2k9y h GLY 555 Ca 0.00 -0.34 -0.37 0.00 0.00 0.00 0.00 47.33 46.61 2k9y h GLY 555 CO 0.00 0.30 -2.22 0.33 0.00 0.00 0.00 176.54 174.95 2k9y n PHE 556 N -4.52 0.64 0.33 5.60 7.35 -0.98 -4.01 117.46 121.87 2k9y n PHE 556 Ca -0.09 0.14 0.20 0.00 -0.76 0.00 0.00 57.45 56.94 2k9y n PHE 556 Cb 0.48 -1.09 1.05 0.00 0.35 0.00 0.00 39.48 40.28 2k9y n PHE 556 CO 0.00 0.00 0.00 0.35 -0.76 0.00 0.00 176.76 176.35 2k9y h PHE 557 N 0.03 0.00 0.00 -5.13 3.57 -0.28 0.32 116.94 115.45 2k9y h PHE 557 Ca -0.49 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 60.75 2k9y h PHE 557 Cb 1.98 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.68 2k9y h PHE 557 CO 0.05 0.00 -1.38 0.97 -2.23 0.00 0.00 178.31 175.72 2k9y h ILE 558 N 0.00 1.23 -0.32 1.41 6.09 -1.71 -3.35 117.51 120.87 2k9y h ILE 558 Ca 0.01 -3.02 -0.21 0.00 -1.37 0.00 0.00 64.86 60.27 2k9y h ILE 558 Cb 0.26 2.61 -0.15 0.00 0.47 0.00 0.00 36.82 40.01 2k9y h ILE 558 CO -0.00 0.70 -0.44 1.41 -3.07 0.00 0.00 178.15 176.76 2k9y n HIS 559 N -3.18 1.10 0.08 2.19 8.25 0.19 -4.62 115.22 119.22 2k9y n HIS 559 Ca -0.09 -1.77 0.08 0.00 -0.26 0.00 0.00 57.72 55.67 2k9y n HIS 559 Cb 1.00 -0.38 -0.03 0.00 1.12 0.00 0.00 29.99 31.70 2k9y n HIS 559 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2k9y n ARG 560 N -1.01 0.61 -0.04 -0.41 -4.01 0.88 -4.12 116.66 108.56 2k9y n ARG 560 Ca 0.31 0.16 0.03 0.00 -1.04 0.00 0.00 57.85 57.30 2k9y n ARG 560 Cb 0.85 -1.82 -0.15 0.00 -3.04 0.00 0.00 32.46 28.29 2k9y n ARG 560 CO 0.00 0.00 0.00 2.89 -3.04 0.00 0.00 177.63 177.48 2k9y n ARG 561 N -2.75 0.74 -1.34 2.89 0.00 -1.26 -5.09 116.66 109.84 2k9y n ARG 561 Ca -0.03 -0.12 0.17 0.00 -0.00 0.00 0.00 57.85 57.87 2k9y n ARG 561 Cb 0.65 -1.48 -0.07 0.00 -0.00 0.00 0.00 32.46 31.55 2k9y n ARG 561 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2k9y n ARG 562 N -2.40 -2.98 0.00 2.89 5.12 -1.26 -5.24 116.66 112.80 2k9y n ARG 562 Ca -0.14 2.32 0.11 0.00 -1.93 0.00 0.00 57.85 58.21 2k9y n ARG 562 Cb 0.76 -3.52 0.68 0.00 -1.16 0.00 0.00 32.46 29.21 2k9y n ARG 562 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06