#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 2.65 0.06 4.31 5.36 -1.26 -5.06 117.98 124.04 2k9y s PHE 524 Ca 0.00 0.40 0.04 0.00 -0.96 0.00 0.00 56.93 56.41 2k9y s PHE 524 Cb 0.00 -4.46 -0.04 0.00 -0.34 0.00 0.00 43.02 38.18 2k9y s PHE 524 CO 0.00 -1.53 -0.03 -0.65 -1.46 0.00 0.00 175.22 171.55 2k9y s GLN 525 N 4.80 2.52 -0.39 10.12 -1.52 -1.26 -5.05 119.66 128.87 2k9y s GLN 525 Ca 0.42 -0.81 0.09 0.00 -1.95 0.00 0.00 55.36 53.11 2k9y s GLN 525 Cb -0.08 -2.51 0.27 0.00 -0.22 0.00 0.00 33.01 30.47 2k9y s GLN 525 CO 0.25 0.56 0.56 0.25 -0.25 0.00 0.00 175.29 176.66 2k9y n THR 526 N 0.91 -0.60 -3.50 -0.19 -2.24 -1.26 -5.12 114.28 102.29 2k9y n THR 526 Ca -0.13 -4.12 -0.38 0.00 -2.27 0.00 0.00 64.05 57.15 2k9y n THR 526 Cb 0.52 -1.64 -0.06 0.00 -2.10 0.00 0.00 70.33 67.05 2k9y n THR 526 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2k9y s LEU 527 N -1.42 4.42 0.67 3.22 1.43 -1.26 -5.10 118.68 120.64 2k9y s LEU 527 Ca 0.36 0.87 -0.11 0.00 -1.03 0.00 0.00 54.13 54.22 2k9y s LEU 527 Cb 0.20 -2.56 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 2k9y s LEU 527 CO -0.10 0.26 1.05 -0.44 0.23 0.00 0.00 176.35 177.35 2k9y s SER 528 N -0.67 5.75 0.69 2.29 0.01 -1.26 -5.08 113.70 115.43 2k9y s SER 528 Ca 0.23 1.47 -0.09 0.00 1.31 0.00 0.00 55.95 58.87 2k9y s SER 528 Cb -0.16 -2.42 0.03 0.00 0.21 0.00 0.00 66.02 63.68 2k9y s SER 528 CO 0.11 -1.19 1.05 -2.16 0.41 0.00 0.00 173.24 171.46 2k9y s PRO 529 N -5.14 2.59 0.97 12.44 0.04 -1.26 -5.07 135.00 139.57 2k9y s PRO 529 Ca 0.57 0.15 -0.12 0.00 0.04 0.00 0.00 61.00 61.64 2k9y s PRO 529 Cb -0.12 -2.10 0.17 0.00 0.04 0.00 0.00 34.50 32.49 2k9y s PRO 529 CO 0.54 -1.09 1.09 -1.21 0.04 0.00 0.00 177.00 176.38 2k9y s GLU 530 N -5.29 0.67 0.00 4.56 0.41 -1.26 -5.01 118.70 112.78 2k9y s GLU 530 Ca 0.58 0.61 0.00 0.00 -0.41 0.00 0.00 54.97 55.75 2k9y s GLU 530 Cb -0.11 -1.76 0.00 0.00 -1.78 0.00 0.00 34.13 30.48 2k9y s GLU 530 CO 0.48 -2.59 0.00 0.41 -0.49 0.00 0.00 175.26 173.07 2k9y n GLY 531 N -1.10 3.87 2.73 -1.39 0.00 -1.26 -5.13 105.19 102.92 2k9y n GLY 531 Ca 0.06 -1.69 -0.18 0.00 0.00 0.00 0.00 46.02 44.21 2k9y n GLY 531 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k9y s SER 532 N 0.00 0.76 -0.05 1.61 0.15 -1.26 -5.16 113.70 109.76 2k9y s SER 532 Ca 0.00 0.12 0.04 0.00 0.70 0.00 0.00 55.95 56.81 2k9y s SER 532 Cb 0.00 -0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.24 2k9y s SER 532 CO 0.00 -0.21 -0.14 -0.83 1.20 0.00 0.00 173.24 173.25 2k9y s GLY 533 N 1.87 1.53 -0.01 9.45 0.00 -1.26 -5.02 107.32 113.88 2k9y s GLY 533 Ca 0.01 -0.99 0.22 0.00 0.00 0.00 0.00 44.72 43.96 2k9y s GLY 533 CO -0.04 -0.78 0.59 0.70 0.00 0.00 0.00 173.10 173.57 2k9y n ASN 534 N 2.28 0.21 0.00 1.64 4.13 -1.26 -3.91 115.26 118.35 2k9y n ASN 534 Ca -0.17 -0.13 0.07 0.00 1.68 0.00 0.00 54.58 56.02 2k9y n ASN 534 Cb 0.52 1.74 0.41 0.00 -1.54 0.00 0.00 39.78 40.91 2k9y n ASN 534 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2k9y n LEU 535 N -2.16 0.00 0.01 3.41 4.32 -1.26 -1.98 117.00 119.34 2k9y n LEU 535 Ca -0.02 0.00 0.04 0.00 -0.02 0.00 0.00 56.01 56.00 2k9y n LEU 535 Cb 0.53 0.00 0.42 0.00 -1.62 0.00 0.00 43.42 42.75 2k9y n LEU 535 CO 0.45 0.00 1.14 0.00 -1.22 0.00 0.00 177.39 177.76 2k9y h ALA 536 N 2.98 1.69 -0.27 -1.18 0.00 -1.99 -2.96 119.26 117.54 2k9y h ALA 536 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2k9y h ALA 536 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2k9y h ALA 536 CO 0.00 0.27 0.07 0.28 0.00 0.00 0.00 179.25 179.87 2k9y h VAL 537 N 0.52 1.13 -0.33 0.00 2.07 -1.68 0.26 116.25 118.22 2k9y h VAL 537 Ca 0.14 -0.45 0.06 0.00 0.82 0.00 0.00 66.70 67.27 2k9y h VAL 537 Cb -0.03 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 2k9y h VAL 537 CO -0.03 0.16 -0.04 0.40 0.02 0.00 0.00 177.57 178.08 2k9y h ILE 538 N 0.38 0.72 -0.22 4.57 2.04 -1.75 -3.09 117.51 120.15 2k9y h ILE 538 Ca 0.09 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 65.85 2k9y h ILE 538 Cb 0.15 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 2k9y h ILE 538 CO -0.00 0.01 -0.22 1.23 0.00 0.00 0.00 178.15 179.16 2k9y h GLY 539 N 0.05 0.44 2.00 5.37 0.00 -0.56 0.06 103.07 110.42 2k9y h GLY 539 Ca 0.16 -0.33 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 2k9y h GLY 539 CO -0.30 0.31 -0.46 -1.33 0.00 0.00 0.00 176.54 174.75 2k9y h GLY 540 N 0.98 0.00 0.82 4.60 0.00 -1.57 -0.75 103.07 107.16 2k9y h GLY 540 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 2k9y h GLY 540 CO 0.04 0.00 -0.34 -2.08 0.00 0.00 0.00 176.54 174.16 2k9y h VAL 541 N 0.00 0.16 -0.46 4.60 2.07 -1.18 -0.91 116.25 120.53 2k9y h VAL 541 Ca -0.00 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 2k9y h VAL 541 Cb 1.35 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2k9y h VAL 541 CO 0.06 0.02 0.14 0.00 0.02 0.00 0.00 177.57 177.81 2k9y h ALA 542 N -1.00 0.60 0.00 1.67 0.00 -1.11 -2.33 119.26 117.10 2k9y h ALA 542 Ca -0.10 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2k9y h ALA 542 Cb 0.76 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2k9y h ALA 542 CO 0.16 0.25 -0.35 0.28 0.00 0.00 0.00 179.25 179.59 2k9y h VAL 543 N 0.60 0.00 0.00 0.00 2.07 -1.24 -3.00 116.25 114.69 2k9y h VAL 543 Ca 0.15 -0.70 -0.14 0.00 0.82 0.00 0.00 66.70 66.83 2k9y h VAL 543 Cb 0.26 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2k9y h VAL 543 CO -0.00 0.00 -0.67 1.23 0.02 0.00 0.00 177.57 178.15 2k9y h GLY 544 N 4.30 0.00 0.99 2.17 0.00 -0.95 -2.57 103.07 107.01 2k9y h GLY 544 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k9y h GLY 544 CO 0.00 0.00 0.13 -2.08 0.00 0.00 0.00 176.54 174.59 2k9y h VAL 545 N 0.00 1.06 -0.76 4.60 2.07 -1.28 -2.00 116.25 119.94 2k9y h VAL 545 Ca -0.01 -0.13 0.16 0.00 0.82 0.00 0.00 66.70 67.55 2k9y h VAL 545 Cb 1.26 0.78 -0.14 0.00 -1.52 0.00 0.00 31.29 31.67 2k9y h VAL 545 CO 0.09 0.06 -0.10 0.58 0.02 0.00 0.00 177.57 178.21 2k9y h VAL 546 N 0.27 0.28 0.50 2.57 2.07 -1.45 0.38 116.25 120.86 2k9y h VAL 546 Ca 0.08 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 2k9y h VAL 546 Cb -0.02 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 2k9y h VAL 546 CO -0.02 0.01 -0.24 0.25 0.02 0.00 0.00 177.57 177.59 2k9y h LEU 547 N 0.04 -0.57 -1.93 2.57 5.85 -1.27 -2.76 115.31 117.24 2k9y h LEU 547 Ca 0.39 -0.04 0.24 0.00 0.84 0.00 0.00 57.88 59.31 2k9y h LEU 547 Cb 0.65 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 2k9y h LEU 547 CO -0.74 -0.16 0.66 -0.07 -0.34 0.00 0.00 178.44 177.80 2k9y h LEU 548 N -1.11 0.00 -0.06 2.25 3.38 -1.31 -2.40 115.31 116.07 2k9y h LEU 548 Ca -0.07 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.65 2k9y h LEU 548 Cb 0.57 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.34 2k9y h LEU 548 CO 0.11 0.00 -0.96 -0.07 0.09 0.00 0.00 178.44 177.62 2k9y h LEU 549 N 0.00 0.92 0.11 1.67 3.38 0.07 0.50 115.31 121.96 2k9y h LEU 549 Ca 0.39 -0.69 -0.29 0.00 0.09 0.00 0.00 57.88 57.38 2k9y h LEU 549 Cb 1.72 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.19 2k9y h LEU 549 CO -0.00 1.49 -1.40 0.58 0.09 0.00 0.00 178.44 179.20 2k9y h VAL 550 N 0.44 1.31 0.00 1.22 2.07 -1.51 -2.81 116.25 116.97 2k9y h VAL 550 Ca -0.10 -2.93 -0.00 0.00 0.82 0.00 0.00 66.70 64.49 2k9y h VAL 550 Cb 1.60 2.83 -0.00 0.00 -1.52 0.00 0.00 31.29 34.20 2k9y h VAL 550 CO 0.19 0.84 -0.01 -0.07 0.02 0.00 0.00 177.57 178.55 2k9y h LEU 551 N 0.07 0.00 -1.40 2.57 3.38 -1.40 0.14 115.31 118.66 2k9y h LEU 551 Ca -0.19 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 2k9y h LEU 551 Cb 1.99 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 2k9y h LEU 551 CO 0.17 0.01 -0.30 0.00 0.09 0.00 0.00 178.44 178.41 2k9y h ALA 552 N 1.99 1.50 0.00 1.53 0.00 -0.63 -2.56 119.26 121.10 2k9y h ALA 552 Ca -0.00 -0.27 -0.27 0.00 0.00 0.00 0.00 54.91 54.37 2k9y h ALA 552 Cb 0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2k9y h ALA 552 CO 0.00 0.38 -1.64 0.78 0.00 0.00 0.00 179.25 178.77 2k9y h GLY 553 N 0.90 0.00 2.00 0.00 0.00 -0.79 -3.19 103.07 101.99 2k9y h GLY 553 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k9y h GLY 553 CO 0.04 0.00 0.00 -2.08 0.00 0.00 0.00 176.54 174.50 2k9y h VAL 554 N 0.00 0.00 -0.02 4.60 2.07 -0.97 -0.88 116.25 121.06 2k9y h VAL 554 Ca -0.26 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.43 2k9y h VAL 554 Cb 1.93 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.53 2k9y h VAL 554 CO 0.07 0.00 -0.11 0.61 0.02 0.00 0.00 177.57 178.17 2k9y n GLY 555 N 1.11 0.23 0.54 2.17 0.00 -0.97 -4.31 105.19 103.96 2k9y n GLY 555 Ca 0.04 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 2k9y n GLY 555 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2k9y n PHE 556 N 0.40 0.00 0.19 1.61 7.35 -0.53 -4.61 117.46 121.87 2k9y n PHE 556 Ca 0.15 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.84 2k9y n PHE 556 Cb 0.45 -0.43 0.00 0.00 0.35 0.00 0.00 39.48 39.85 2k9y n PHE 556 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 2k9y n PHE 557 N -3.81 0.00 0.00 -5.13 3.72 -0.45 -1.62 117.46 110.18 2k9y n PHE 557 Ca -0.21 -0.59 0.00 0.00 -0.05 0.00 0.00 57.45 56.60 2k9y n PHE 557 Cb 0.54 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 2k9y n PHE 557 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 2k9y n ILE 558 N 1.11 0.00 -3.36 4.37 -5.35 -1.26 -5.02 119.36 109.85 2k9y n ILE 558 Ca 0.00 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.33 2k9y n ILE 558 Cb 0.39 0.07 -0.08 0.00 -1.74 0.00 0.00 39.64 38.28 2k9y n ILE 558 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 2k9y s HIS 559 N -1.78 -0.54 -0.15 4.28 5.04 -0.64 -5.13 115.29 116.39 2k9y s HIS 559 Ca 0.00 -0.33 0.00 0.00 -1.54 0.00 0.00 55.06 53.19 2k9y s HIS 559 Cb 0.00 -0.36 0.03 0.00 0.04 0.00 0.00 32.58 32.29 2k9y s HIS 559 CO 0.00 -0.96 -0.10 1.03 -2.34 0.00 0.00 174.74 172.37 2k9y s ARG 560 N 2.01 1.85 0.17 2.88 0.52 -1.26 -4.80 118.95 120.31 2k9y s ARG 560 Ca 0.13 -0.49 0.18 0.00 -0.52 0.00 0.00 55.73 55.02 2k9y s ARG 560 Cb -0.14 -1.97 -0.03 0.00 0.52 0.00 0.00 34.95 33.33 2k9y s ARG 560 CO -0.20 -0.31 1.07 0.00 0.02 0.00 0.00 175.30 175.88 2k9y h ARG 561 N 8.09 0.00 -6.85 3.54 3.08 -2.00 -3.46 114.38 116.78 2k9y h ARG 561 Ca -0.31 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.25 2k9y h ARG 561 Cb 1.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 2k9y h ARG 561 CO 0.46 0.27 0.17 1.03 -1.07 0.00 0.00 179.97 180.83 2k9y s ARG 562 N -3.03 3.97 0.00 0.04 0.52 -1.26 -5.35 118.95 113.83 2k9y s ARG 562 Ca -0.00 0.71 0.03 0.00 -0.52 0.00 0.00 55.73 55.95 2k9y s ARG 562 Cb 0.08 -2.35 0.03 0.00 0.52 0.00 0.00 34.95 33.23 2k9y s ARG 562 CO 0.78 0.03 0.61 1.63 0.02 0.00 0.00 175.30 178.37