#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va1 h ASP 530 N 0.00 0.00 -3.74 3.17 3.58 -2.10 -3.47 116.42 113.86 1va1 h ASP 530 Ca 0.00 -0.68 -0.56 0.00 0.42 0.00 0.00 57.03 56.21 1va1 h ASP 530 Cb 0.00 0.00 0.17 0.00 1.72 0.00 0.00 39.33 41.22 1va1 h ASP 530 CO 0.00 0.98 0.18 -2.65 -2.88 0.00 0.00 179.24 174.86 1va1 n PRO 531 N -4.61 0.77 -0.09 0.28 -0.02 -1.26 -4.98 135.00 125.09 1va1 n PRO 531 Ca -0.12 0.31 -0.16 0.00 -2.02 0.00 0.00 63.50 61.52 1va1 n PRO 531 Cb 0.41 -2.25 -0.09 0.00 -0.02 0.00 0.00 33.50 31.56 1va1 n PRO 531 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1va1 h GLY 532 N 0.19 0.00 -6.32 -1.23 0.00 -2.08 -3.47 103.07 90.15 1va1 h GLY 532 Ca -0.49 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.64 1va1 h GLY 532 CO 0.50 0.00 -0.51 1.25 0.00 0.00 0.00 176.54 177.78 1va1 s LYS 533 N -2.28 0.18 0.22 4.80 2.20 -1.26 -5.16 119.74 118.43 1va1 s LYS 533 Ca -0.23 0.69 0.01 0.00 -0.36 0.00 0.00 55.97 56.07 1va1 s LYS 533 Cb 0.04 -0.05 -0.05 0.00 -1.51 0.00 0.00 37.83 36.26 1va1 s LYS 533 CO 0.49 -0.24 0.07 0.21 -0.36 0.00 0.00 175.35 175.52 1va1 s LYS 534 N 2.03 1.25 0.56 4.03 2.20 -1.26 -5.11 119.74 123.44 1va1 s LYS 534 Ca -0.02 -1.65 0.00 0.00 -0.36 0.00 0.00 55.97 53.93 1va1 s LYS 534 Cb -0.11 -0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.08 1va1 s LYS 534 CO -0.09 -0.27 0.00 1.17 -0.36 0.00 0.00 175.35 175.81 1va1 n LYS 535 N -0.34 -3.20 -1.73 4.03 4.81 -1.26 -5.02 118.16 115.45 1va1 n LYS 535 Ca -0.02 2.59 0.00 0.00 -0.87 0.00 0.00 58.31 60.01 1va1 n LYS 535 Cb 0.65 -3.55 0.00 0.00 0.02 0.00 0.00 35.03 32.15 1va1 n LYS 535 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1va1 n GLN 536 N -3.69 -4.71 -4.04 1.64 6.02 -1.26 -4.98 117.38 106.37 1va1 n GLN 536 Ca -0.06 3.40 -0.32 0.00 -0.01 0.00 0.00 57.00 60.01 1va1 n GLN 536 Cb 0.57 -3.68 -0.15 0.00 1.02 0.00 0.00 30.24 28.01 1va1 n GLN 536 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1va1 s HIS 537 N -1.31 3.12 -0.07 1.08 3.76 -0.88 -4.87 115.29 116.12 1va1 s HIS 537 Ca 0.00 -2.26 -0.04 0.00 -0.15 0.00 0.00 55.06 52.61 1va1 s HIS 537 Cb 0.00 -1.94 -0.04 0.00 1.11 0.00 0.00 32.58 31.72 1va1 s HIS 537 CO 0.00 -0.86 0.10 0.42 -0.85 0.00 0.00 174.74 173.55 1va1 s ILE 538 N 1.15 5.05 0.05 0.60 1.01 -1.26 -2.99 121.20 124.81 1va1 s ILE 538 Ca -0.07 -0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.21 1va1 s ILE 538 Cb -0.20 -3.23 -0.09 0.00 0.01 0.00 0.00 42.46 38.95 1va1 s ILE 538 CO -0.06 0.53 1.93 0.00 0.00 0.00 0.00 174.94 177.34 1va1 n HIS 540 N 7.17 2.64 -4.33 0.00 8.25 -1.26 -4.79 115.22 122.90 1va1 n HIS 540 Ca 0.19 -2.05 -0.24 0.00 -0.26 0.00 0.00 57.72 55.36 1va1 n HIS 540 Cb 0.41 -1.02 -0.12 0.00 1.12 0.00 0.00 29.99 30.37 1va1 n HIS 540 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1va1 s ILE 541 N -3.27 1.89 -1.23 1.59 -1.09 -1.26 -5.05 121.20 112.78 1va1 s ILE 541 Ca 0.50 -1.73 -0.19 0.00 -2.23 0.00 0.00 60.65 57.01 1va1 s ILE 541 Cb 0.41 -1.76 -0.01 0.00 -1.58 0.00 0.00 42.46 39.52 1va1 s ILE 541 CO 0.05 -0.11 1.89 0.00 -1.23 0.00 0.00 174.94 175.55 1va1 n GLN 542 N 0.77 2.46 0.00 2.79 6.02 -1.26 -3.47 117.38 124.69 1va1 n GLN 542 Ca -0.17 -2.76 0.00 0.00 -0.01 0.00 0.00 57.00 54.06 1va1 n GLN 542 Cb 0.55 -3.47 0.00 0.00 1.02 0.00 0.00 30.24 28.34 1va1 n GLN 542 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1va1 n GLY 543 N 5.22 0.02 3.96 1.08 0.00 -1.26 -5.16 105.19 109.05 1va1 n GLY 543 Ca 0.48 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 46.27 1va1 n GLY 543 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1va1 n GLY 545 N -1.89 -0.00 0.68 0.00 0.00 -1.26 -4.85 105.19 97.87 1va1 n GLY 545 Ca 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 1va1 n GLY 545 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1va1 n LYS 546 N -0.21 0.63 -3.99 1.61 2.85 -1.26 -5.02 118.16 112.78 1va1 n LYS 546 Ca -0.10 -0.50 -0.23 0.00 -1.05 0.00 0.00 58.31 56.43 1va1 n LYS 546 Cb 0.50 -0.09 -0.17 0.00 -0.65 0.00 0.00 35.03 34.62 1va1 n LYS 546 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1va1 s VAL 547 N -0.12 0.63 -0.29 0.58 1.01 -1.26 -4.41 120.40 116.55 1va1 s VAL 547 Ca 0.11 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1va1 s VAL 547 Cb -0.01 -0.70 0.15 0.00 0.00 0.00 0.00 36.38 35.82 1va1 s VAL 547 CO 0.07 0.28 0.35 -0.72 0.00 0.00 0.00 175.10 175.09 1va1 s TYR 548 N 1.48 -0.74 -1.52 5.22 1.13 -1.16 -5.01 117.35 116.74 1va1 s TYR 548 Ca -0.02 0.11 -0.09 0.00 -1.41 0.00 0.00 57.07 55.66 1va1 s TYR 548 Cb -0.13 -0.30 -0.07 0.00 -1.10 0.00 0.00 41.96 40.36 1va1 s TYR 548 CO -0.04 -0.94 2.93 0.41 -2.51 0.00 0.00 175.55 175.40 1va1 n GLY 549 N 5.33 4.31 2.94 5.49 0.00 -1.26 -2.06 105.19 119.94 1va1 n GLY 549 Ca -0.01 -1.56 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 1va1 n GLY 549 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1va1 s LYS 550 N 1.71 0.27 0.20 1.61 1.02 -1.26 -4.65 119.74 118.63 1va1 s LYS 550 Ca 0.68 0.56 -0.10 0.00 0.02 0.00 0.00 55.97 57.13 1va1 s LYS 550 Cb 0.19 -0.47 0.13 0.00 -0.52 0.00 0.00 37.83 37.15 1va1 s LYS 550 CO -0.06 -0.53 1.78 1.15 -0.92 0.00 0.00 175.35 176.77 1va1 h THR 551 N 6.23 1.24 -0.72 2.17 2.02 -1.99 -1.35 112.91 120.51 1va1 h THR 551 Ca -0.17 -0.69 0.04 0.00 0.77 0.00 0.00 66.41 66.36 1va1 h THR 551 Cb 1.14 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 1va1 h THR 551 CO 0.23 0.28 0.47 0.77 0.37 0.00 0.00 175.52 177.65 1va1 h SER 552 N 1.00 0.72 0.86 4.18 4.64 -1.98 -0.76 113.55 122.20 1va1 h SER 552 Ca 0.24 -0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.40 1va1 h SER 552 Cb 0.14 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 1va1 h SER 552 CO -0.03 0.49 -0.75 -0.74 -0.87 0.00 0.00 176.83 174.93 1va1 h HIS 553 N 0.83 0.00 -0.50 4.77 6.17 -1.84 -3.19 115.15 121.40 1va1 h HIS 553 Ca 0.29 0.00 -0.09 0.00 0.71 0.00 0.00 60.37 61.29 1va1 h HIS 553 Cb 0.12 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.03 1va1 h HIS 553 CO -0.00 0.75 -0.04 1.25 0.71 0.00 0.00 177.93 180.60 1va1 h LEU 554 N 0.00 0.84 -0.71 0.26 5.85 -0.04 0.86 115.31 122.37 1va1 h LEU 554 Ca -0.01 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 1va1 h LEU 554 Cb 1.38 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 1va1 h LEU 554 CO 0.10 0.93 0.15 0.08 -0.34 0.00 0.00 178.44 179.35 1va1 h ARG 555 N 0.79 1.13 0.01 1.25 0.11 -1.36 0.55 114.38 116.86 1va1 h ARG 555 Ca 0.14 -0.28 -0.24 0.00 0.10 0.00 0.00 59.98 59.70 1va1 h ARG 555 Cb 0.53 -0.14 0.01 0.00 1.11 0.00 0.00 29.97 31.48 1va1 h ARG 555 CO 0.03 1.01 -0.98 0.00 0.10 0.00 0.00 179.97 180.13 1va1 h ALA 556 N 1.08 0.29 -0.00 0.08 0.00 -1.51 -3.06 119.26 116.14 1va1 h ALA 556 Ca 0.22 -0.71 -0.18 0.00 0.00 0.00 0.00 54.91 54.23 1va1 h ALA 556 Cb 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1va1 h ALA 556 CO 0.01 0.79 -0.81 1.25 0.00 0.00 0.00 179.25 180.49 1va1 h HIS 557 N 0.26 0.17 -0.50 0.00 -0.00 -0.67 -3.24 115.15 111.17 1va1 h HIS 557 Ca -0.10 -0.09 -0.10 0.00 -0.00 0.00 0.00 60.37 60.09 1va1 h HIS 557 Cb 1.63 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 29.00 1va1 h HIS 557 CO 0.07 0.87 -0.09 1.25 -0.00 0.00 0.00 177.93 180.03 1va1 h LEU 558 N 0.07 0.90 -2.00 0.26 5.85 0.07 -2.73 115.31 117.72 1va1 h LEU 558 Ca -0.02 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.44 1va1 h LEU 558 Cb 1.41 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 1va1 h LEU 558 CO 0.12 1.01 0.06 0.08 -0.34 0.00 0.00 178.44 179.36 1va1 h ARG 559 N 0.82 0.00 -0.21 1.25 -0.00 -1.55 -2.06 114.38 112.62 1va1 h ARG 559 Ca 0.14 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 60.03 1va1 h ARG 559 Cb 0.61 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.57 1va1 h ARG 559 CO 0.04 0.00 -0.20 2.35 -0.00 0.00 0.00 179.97 182.16 1va1 h TRP 560 N 0.00 0.61 -0.12 4.08 7.01 -1.58 -3.04 115.95 122.91 1va1 h TRP 560 Ca 0.04 -0.18 -0.01 0.00 2.11 0.00 0.00 58.89 60.85 1va1 h TRP 560 Cb 0.15 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 1va1 h TRP 560 CO 0.00 0.85 0.02 0.45 -2.79 0.00 0.00 178.44 176.97 1va1 h HIS 561 N 0.19 0.16 -1.07 2.65 3.86 -1.35 -3.36 115.15 116.22 1va1 h HIS 561 Ca 0.04 -0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.63 1va1 h HIS 561 Cb 0.74 -0.05 -0.10 0.00 1.06 0.00 0.00 27.41 29.06 1va1 h HIS 561 CO 0.08 0.15 1.63 0.95 0.86 0.00 0.00 177.93 181.60 1va1 s THR 562 N -5.06 3.97 0.00 2.45 -4.23 -0.99 -4.73 115.64 107.04 1va1 s THR 562 Ca -0.06 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 1va1 s THR 562 Cb 0.17 -5.08 0.00 0.00 1.34 0.00 0.00 72.50 68.92 1va1 s THR 562 CO 0.70 -1.95 0.00 0.61 -0.54 0.00 0.00 174.62 173.43 1va1 n GLY 563 N 6.57 3.00 1.47 3.99 0.00 -1.26 -4.96 105.19 114.00 1va1 n GLY 563 Ca 0.36 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1va1 n GLY 563 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1va1 n GLU 564 N 1.02 0.00 -0.52 1.61 -0.58 -1.26 -4.94 120.64 115.97 1va1 n GLU 564 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1va1 n GLU 564 Cb 0.00 -0.09 0.00 0.00 -0.57 0.00 0.00 31.44 30.78 1va1 n GLU 564 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19