#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 1.47 0.06 -0.32 2.19 -1.26 -5.15 117.98 114.97 2k9y s PHE 524 Ca 0.00 -0.31 0.01 0.00 0.33 0.00 0.00 56.93 56.96 2k9y s PHE 524 Cb 0.00 -0.91 -0.00 0.00 -1.31 0.00 0.00 43.02 40.80 2k9y s PHE 524 CO 0.00 0.02 0.04 1.04 1.83 0.00 0.00 175.22 178.14 2k9y n GLN 525 N 2.30 0.33 -4.36 10.12 3.00 -1.26 -5.19 117.38 122.32 2k9y n GLN 525 Ca -0.16 -0.52 -0.18 0.00 -0.01 0.00 0.00 57.00 56.13 2k9y n GLN 525 Cb 0.54 0.38 -0.10 0.00 0.00 0.00 0.00 30.24 31.06 2k9y n GLN 525 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2k9y s THR 526 N -2.07 0.76 0.37 5.09 -4.23 -1.26 -5.17 115.64 109.13 2k9y s THR 526 Ca 0.05 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.60 2k9y s THR 526 Cb 0.00 -2.68 0.04 0.00 1.34 0.00 0.00 72.50 71.21 2k9y s THR 526 CO 0.04 -0.01 0.33 0.18 -0.54 0.00 0.00 174.62 174.62 2k9y n LEU 527 N -0.53 0.00 -3.70 4.79 4.77 -1.26 -5.10 117.00 115.97 2k9y n LEU 527 Ca -0.01 -1.86 -0.29 0.00 -0.03 0.00 0.00 56.01 53.83 2k9y n LEU 527 Cb 0.66 -0.08 -0.12 0.00 -2.33 0.00 0.00 43.42 41.55 2k9y n LEU 527 CO 0.39 -0.51 -0.21 -0.94 -1.33 0.00 0.00 177.39 174.79 2k9y s SER 528 N -3.21 3.51 0.98 -1.43 1.04 -1.26 -5.12 113.70 108.21 2k9y s SER 528 Ca 0.25 -3.01 -0.12 0.00 0.48 0.00 0.00 55.95 53.55 2k9y s SER 528 Cb -0.02 -1.07 0.18 0.00 0.10 0.00 0.00 66.02 65.20 2k9y s SER 528 CO 0.16 -0.20 1.09 -2.16 0.98 0.00 0.00 173.24 173.11 2k9y s PRO 529 N -0.14 0.61 -0.30 4.02 0.04 -1.26 -5.08 135.00 132.88 2k9y s PRO 529 Ca 0.22 0.58 -0.09 0.00 0.04 0.00 0.00 61.00 61.76 2k9y s PRO 529 Cb -0.14 -1.75 0.17 0.00 0.04 0.00 0.00 34.50 32.82 2k9y s PRO 529 CO -0.08 -2.63 0.81 -1.83 0.04 0.00 0.00 177.00 173.32 2k9y s GLU 530 N -4.96 0.41 0.00 4.56 -1.05 -1.26 -5.12 118.70 111.28 2k9y s GLU 530 Ca 0.65 0.86 0.00 0.00 -0.15 0.00 0.00 54.97 56.33 2k9y s GLU 530 Cb -0.18 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.00 2k9y s GLU 530 CO 0.57 -0.33 0.00 0.41 0.95 0.00 0.00 175.26 176.87 2k9y n GLY 531 N 5.34 -0.69 0.23 -3.83 0.00 -1.26 -4.98 105.19 100.01 2k9y n GLY 531 Ca -0.06 0.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 2k9y n GLY 531 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2k9y h SER 532 N 0.00 0.14 0.00 1.61 0.02 -2.02 -3.46 113.55 109.83 2k9y h SER 532 Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2k9y h SER 532 Cb 0.00 0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2k9y h SER 532 CO 0.00 0.09 0.00 0.61 -1.14 0.00 0.00 176.83 176.39 2k9y n GLY 533 N -1.30 2.99 0.27 -3.77 0.00 -1.26 -4.85 105.19 97.27 2k9y n GLY 533 Ca 0.08 -0.68 0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 0.27 0.00 1.70 1.61 4.21 -2.04 -0.88 115.58 120.45 2k9y h ASN 534 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2k9y h ASN 534 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 2k9y h ASN 534 CO 0.00 0.08 -0.26 -0.07 -1.29 0.00 0.00 177.43 175.89 2k9y h LEU 535 N 0.00 0.00 -1.17 1.61 -0.00 -1.98 -3.28 115.31 110.49 2k9y h LEU 535 Ca -0.00 -0.01 -0.05 0.00 -0.00 0.00 0.00 57.88 57.82 2k9y h LEU 535 Cb 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.83 2k9y h LEU 535 CO 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 178.44 178.44 2k9y h ALA 536 N 2.05 1.32 -0.18 1.53 0.00 -1.55 -2.21 119.26 120.21 2k9y h ALA 536 Ca 0.00 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.75 2k9y h ALA 536 Cb 0.98 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2k9y h ALA 536 CO 0.00 0.46 0.28 0.28 0.00 0.00 0.00 179.25 180.28 2k9y h VAL 537 N 0.53 0.28 1.01 0.00 2.07 -1.62 -2.40 116.25 116.12 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 0.36 0.76 0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2k9y h VAL 537 CO 0.01 0.00 -0.48 0.40 0.02 0.00 0.00 177.57 177.52 2k9y h ILE 538 N 0.00 0.01 -0.74 4.57 2.04 -1.62 -2.37 117.51 119.41 2k9y h ILE 538 Ca 0.09 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.97 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 0.48 1.23 0.00 0.00 0.00 178.15 179.86 2k9y h GLY 539 N -1.35 1.06 0.18 5.37 0.00 -1.60 0.20 103.07 106.92 2k9y h GLY 539 Ca -0.14 -0.37 0.08 0.00 0.00 0.00 0.00 47.33 46.90 2k9y h GLY 539 CO 0.23 0.34 -0.10 -1.33 0.00 0.00 0.00 176.54 175.68 2k9y h GLY 540 N 0.96 0.31 0.15 4.60 0.00 -1.45 0.33 103.07 107.97 2k9y h GLY 540 Ca 0.29 0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.74 2k9y h GLY 540 CO -0.09 -0.16 -0.03 -2.08 0.00 0.00 0.00 176.54 174.19 2k9y h VAL 541 N 0.01 0.93 -0.01 4.60 2.07 -1.18 -2.45 116.25 120.21 2k9y h VAL 541 Ca 0.20 -1.48 0.02 0.00 0.82 0.00 0.00 66.70 66.26 2k9y h VAL 541 Cb 0.30 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 2k9y h VAL 541 CO -0.42 0.29 -0.49 0.00 0.02 0.00 0.00 177.57 176.96 2k9y h ALA 542 N -0.39 -0.91 -0.24 1.67 0.00 -0.53 0.10 119.26 118.96 2k9y h ALA 542 Ca -0.01 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2k9y h ALA 542 Cb 0.54 0.92 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 2k9y h ALA 542 CO 0.02 -1.06 -0.01 0.28 0.00 0.00 0.00 179.25 178.48 2k9y h VAL 543 N -0.60 0.81 -0.90 0.00 2.07 -0.50 -1.67 116.25 115.46 2k9y h VAL 543 Ca 0.01 -0.02 0.19 0.00 0.82 0.00 0.00 66.70 67.70 2k9y h VAL 543 Cb 0.65 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 2k9y h VAL 543 CO -0.33 0.01 0.59 1.23 0.02 0.00 0.00 177.57 179.09 2k9y h GLY 544 N 0.06 0.97 1.17 2.17 0.00 -0.97 -0.08 103.07 106.40 2k9y h GLY 544 Ca 0.12 -0.21 -0.15 0.00 0.00 0.00 0.00 47.33 47.08 2k9y h GLY 544 CO -0.20 0.01 -0.33 -2.08 0.00 0.00 0.00 176.54 173.94 2k9y h VAL 545 N 0.47 1.27 -0.03 4.60 2.07 -0.06 -2.73 116.25 121.85 2k9y h VAL 545 Ca 0.47 -1.49 0.01 0.00 0.82 0.00 0.00 66.70 66.51 2k9y h VAL 545 Cb 1.07 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 2k9y h VAL 545 CO -0.19 0.50 -0.04 0.58 0.02 0.00 0.00 177.57 178.44 2k9y h VAL 546 N 0.77 0.88 -0.33 2.57 2.07 -0.58 -1.03 116.25 120.59 2k9y h VAL 546 Ca 0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.62 2k9y h VAL 546 Cb 0.91 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 2k9y h VAL 546 CO 0.08 0.00 0.16 -0.07 0.02 0.00 0.00 177.57 177.76 2k9y h LEU 547 N -0.06 0.23 -1.04 2.57 -0.00 -1.46 -2.13 115.31 113.41 2k9y h LEU 547 Ca 0.03 0.02 0.06 0.00 -0.00 0.00 0.00 57.88 57.99 2k9y h LEU 547 Cb 0.10 -0.02 -0.06 0.00 -0.00 0.00 0.00 40.66 40.68 2k9y h LEU 547 CO -0.07 0.17 0.64 0.25 -0.00 0.00 0.00 178.44 179.43 2k9y h LEU 548 N 0.33 1.02 -0.96 1.67 7.12 -1.23 -1.64 115.31 121.62 2k9y h LEU 548 Ca 0.14 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.16 2k9y h LEU 548 Cb 0.06 -0.21 -0.05 0.00 -0.53 0.00 0.00 40.66 39.93 2k9y h LEU 548 CO -0.11 0.66 0.61 0.25 -0.13 0.00 0.00 178.44 179.72 2k9y h LEU 549 N 1.16 1.13 0.78 2.25 6.46 -0.55 -2.35 115.31 124.19 2k9y h LEU 549 Ca 0.42 -0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 58.09 2k9y h LEU 549 Cb 0.15 -0.28 0.01 0.00 -0.73 0.00 0.00 40.66 39.80 2k9y h LEU 549 CO -0.16 0.84 -0.38 0.58 -0.62 0.00 0.00 178.44 178.70 2k9y h VAL 550 N 1.32 0.23 -0.87 1.05 2.07 -0.85 -2.32 116.25 116.88 2k9y h VAL 550 Ca 0.35 0.00 0.22 0.00 0.82 0.00 0.00 66.70 68.09 2k9y h VAL 550 Cb -0.11 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 29.84 2k9y h VAL 550 CO -0.07 0.00 0.59 -0.07 0.02 0.00 0.00 177.57 178.04 2k9y h LEU 551 N -1.05 0.24 0.00 2.57 -0.00 -1.37 0.18 115.31 115.87 2k9y h LEU 551 Ca -0.11 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.80 2k9y h LEU 551 Cb 0.81 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.45 2k9y h LEU 551 CO 0.18 0.09 0.00 0.00 -0.00 0.00 0.00 178.44 178.71 2k9y n ALA 552 N -2.59 -0.33 0.20 1.53 0.00 -0.90 -0.16 120.51 118.26 2k9y n ALA 552 Ca 0.18 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.48 2k9y n ALA 552 Cb 0.78 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.16 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 -0.62 1.36 0.00 0.00 -1.20 -1.34 103.07 101.27 2k9y h GLY 553 Ca 0.00 0.30 0.05 0.00 0.00 0.00 0.00 47.33 47.68 2k9y h GLY 553 CO 0.00 -0.25 0.32 -2.08 0.00 0.00 0.00 176.54 174.53 2k9y h VAL 554 N -0.59 1.00 0.00 4.60 2.07 -0.80 -0.12 116.25 122.41 2k9y h VAL 554 Ca -0.02 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 2k9y h VAL 554 Cb 0.53 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 2k9y h VAL 554 CO -0.03 0.08 -0.20 1.23 0.02 0.00 0.00 177.57 178.67 2k9y h GLY 555 N 0.46 0.00 0.95 2.17 0.00 -0.01 -3.12 103.07 103.52 2k9y h GLY 555 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.22 2k9y h GLY 555 CO -0.05 0.00 -1.74 -2.75 0.00 0.00 0.00 176.54 172.00 2k9y h PHE 556 N 0.00 0.14 0.00 5.60 3.57 0.03 -3.24 116.94 123.04 2k9y h PHE 556 Ca -0.00 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2k9y h PHE 556 Cb 0.74 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.48 2k9y h PHE 556 CO 0.00 1.21 0.00 0.74 -2.23 0.00 0.00 178.31 178.03 2k9y h PHE 557 N 0.02 0.00 0.00 0.41 0.04 -1.04 0.25 116.94 116.62 2k9y h PHE 557 Ca -0.30 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.15 2k9y h PHE 557 Cb 2.01 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 40.10 2k9y h PHE 557 CO 0.02 0.00 -2.22 1.51 -0.60 0.00 0.00 178.31 177.03 2k9y n ILE 558 N -2.56 1.30 -2.80 -0.55 3.06 -1.22 -4.58 119.36 112.01 2k9y n ILE 558 Ca -0.01 -0.81 -0.19 0.00 -2.50 0.00 0.00 62.75 59.23 2k9y n ILE 558 Cb 0.10 -0.52 -0.01 0.00 0.54 0.00 0.00 39.64 39.76 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 -2.76 2.04 0.09 9.51 8.25 -0.69 -4.59 115.22 127.07 2k9y n HIS 559 Ca -0.27 -3.37 0.01 0.00 -0.26 0.00 0.00 57.72 53.83 2k9y n HIS 559 Cb 1.08 -0.34 -0.03 0.00 1.12 0.00 0.00 29.99 31.82 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 2.89 0.00 0.00 -0.41 -0.00 -0.78 -3.36 114.38 112.72 2k9y h ARG 560 Ca 0.09 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.99 2k9y h ARG 560 Cb 0.93 0.00 -0.17 0.00 -0.00 0.00 0.00 29.97 30.73 2k9y h ARG 560 CO 0.65 0.43 -0.69 0.54 -0.00 0.00 0.00 179.97 180.90 2k9y n ARG 561 N -3.08 0.32 -3.90 0.08 1.74 -1.26 -4.99 116.66 105.57 2k9y n ARG 561 Ca -0.03 -1.88 -0.30 0.00 -0.77 0.00 0.00 57.85 54.87 2k9y n ARG 561 Cb 0.79 -0.51 0.03 0.00 -1.02 0.00 0.00 32.46 31.74 2k9y n ARG 561 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2k9y n ARG 562 N -0.06 -5.60 0.00 5.56 3.00 -1.26 -5.25 116.66 113.06 2k9y n ARG 562 Ca 0.07 0.61 0.03 0.00 -0.01 0.00 0.00 57.85 58.55 2k9y n ARG 562 Cb 0.89 -5.49 0.03 0.00 0.00 0.00 0.00 32.46 27.89 2k9y n ARG 562 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26