#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va1 s ASP 530 N 0.00 5.58 0.13 7.83 2.15 -1.26 -4.96 116.67 126.14 1va1 s ASP 530 Ca 0.00 2.25 -0.28 0.00 0.43 0.00 0.00 52.55 54.95 1va1 s ASP 530 Cb 0.00 -2.59 -0.05 0.00 -0.30 0.00 0.00 42.92 39.98 1va1 s ASP 530 CO 0.00 -1.32 1.61 -0.65 -0.17 0.00 0.00 175.17 174.63 1va1 h PRO 531 N 1.14 -0.47 0.00 4.34 0.11 -2.12 -3.48 132.00 131.52 1va1 h PRO 531 Ca -0.50 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1va1 h PRO 531 Cb 1.27 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.49 1va1 h PRO 531 CO 0.56 -0.31 0.00 0.41 -0.21 0.00 0.00 178.00 178.45 1va1 n GLY 532 N -1.42 0.60 3.78 -0.55 0.00 -1.26 -5.10 105.19 101.24 1va1 n GLY 532 Ca -0.05 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 1va1 n GLY 532 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1va1 s LYS 533 N -0.33 4.48 0.63 1.61 2.47 -1.26 -5.06 119.74 122.28 1va1 s LYS 533 Ca 0.00 1.05 -0.14 0.00 -1.56 0.00 0.00 55.97 55.32 1va1 s LYS 533 Cb 0.00 -3.27 -0.02 0.00 -1.46 0.00 0.00 37.83 33.08 1va1 s LYS 533 CO 0.00 0.55 1.06 -1.59 0.16 0.00 0.00 175.35 175.53 1va1 s LYS 534 N -1.00 3.19 -0.05 4.03 -2.85 -1.26 -4.52 119.74 117.27 1va1 s LYS 534 Ca 0.34 1.12 -0.01 0.00 -1.00 0.00 0.00 55.97 56.43 1va1 s LYS 534 Cb -0.22 -2.02 0.00 0.00 -2.06 0.00 0.00 37.83 33.53 1va1 s LYS 534 CO 0.24 -0.91 0.01 0.36 0.10 0.00 0.00 175.35 175.15 1va1 n LYS 535 N -2.41 -1.06 -3.78 1.78 2.85 -1.26 -5.03 118.16 109.25 1va1 n LYS 535 Ca 0.08 1.23 -0.11 0.00 -1.05 0.00 0.00 58.31 58.46 1va1 n LYS 535 Cb 0.53 -1.70 -0.08 0.00 -0.65 0.00 0.00 35.03 33.13 1va1 n LYS 535 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1va1 s GLN 536 N -0.89 0.74 -0.31 -1.58 -0.21 -1.26 -5.11 119.66 111.04 1va1 s GLN 536 Ca -0.01 -0.49 0.04 0.00 0.02 0.00 0.00 55.36 54.91 1va1 s GLN 536 Cb 0.00 0.32 0.09 0.00 1.00 0.00 0.00 33.01 34.42 1va1 s GLN 536 CO 0.14 -0.23 -0.00 -1.01 -2.12 0.00 0.00 175.29 172.07 1va1 s HIS 537 N -2.33 3.55 0.15 0.91 3.76 -1.26 -5.06 115.29 115.01 1va1 s HIS 537 Ca -0.07 -2.75 0.10 0.00 -0.15 0.00 0.00 55.06 52.19 1va1 s HIS 537 Cb -0.02 -2.57 -0.04 0.00 1.11 0.00 0.00 32.58 31.06 1va1 s HIS 537 CO -0.02 -0.92 -0.23 0.42 -0.85 0.00 0.00 174.74 173.14 1va1 s ILE 538 N 0.98 2.04 -0.30 0.60 1.01 -1.26 -3.05 121.20 121.23 1va1 s ILE 538 Ca 0.05 -1.81 -0.29 0.00 0.00 0.00 0.00 60.65 58.60 1va1 s ILE 538 Cb -0.19 -1.88 -0.00 0.00 0.01 0.00 0.00 42.46 40.39 1va1 s ILE 538 CO -0.07 -0.09 1.39 0.00 0.00 0.00 0.00 174.94 176.17 1va1 h HIS 540 N 9.85 0.00 -3.89 0.00 3.86 -1.99 -3.41 115.15 119.57 1va1 h HIS 540 Ca -0.28 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.37 1va1 h HIS 540 Cb 1.11 0.00 0.17 0.00 1.06 0.00 0.00 27.41 29.75 1va1 h HIS 540 CO 0.90 0.05 0.29 -0.89 0.86 0.00 0.00 177.93 179.15 1va1 n ILE 541 N -3.15 3.96 -1.45 2.45 2.08 -1.26 -4.85 119.36 117.13 1va1 n ILE 541 Ca 0.01 -0.45 -0.36 0.00 0.56 0.00 0.00 62.75 62.50 1va1 n ILE 541 Cb 0.37 -1.28 -0.04 0.00 -0.75 0.00 0.00 39.64 37.94 1va1 n ILE 541 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1va1 n GLN 542 N -1.75 3.73 0.03 0.38 0.00 -1.26 -3.87 117.38 114.64 1va1 n GLN 542 Ca 0.15 -2.40 0.00 0.00 0.00 0.00 0.00 57.00 54.75 1va1 n GLN 542 Cb 0.48 -2.66 0.00 0.00 0.00 0.00 0.00 30.24 28.06 1va1 n GLN 542 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1va1 n GLY 543 N 2.94 -0.79 3.98 2.61 0.00 -1.26 -5.15 105.19 107.52 1va1 n GLY 543 Ca 0.71 0.13 -0.24 0.00 0.00 0.00 0.00 46.02 46.62 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 -2.86 -0.71 0.21 0.00 0.00 -1.26 -4.71 105.19 95.86 1va1 n GLY 545 Ca 0.13 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.23 0.34 -3.75 1.61 2.85 -1.26 -4.85 118.16 112.88 1va1 n LYS 546 Ca -0.07 -0.14 -0.12 0.00 -1.05 0.00 0.00 58.31 56.93 1va1 n LYS 546 Cb 0.56 -0.05 -0.11 0.00 -0.65 0.00 0.00 35.03 34.77 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 -0.39 -0.01 0.07 0.58 1.01 -1.26 -4.10 120.40 116.30 1va1 s VAL 547 Ca 0.04 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.10 1va1 s VAL 547 Cb -0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 1va1 s VAL 547 CO 0.03 0.02 -0.11 -0.31 0.00 0.00 0.00 175.10 174.72 1va1 s TYR 548 N 0.57 1.00 -1.34 5.22 2.02 -1.17 -5.03 117.35 118.62 1va1 s TYR 548 Ca -0.03 -0.53 0.15 0.00 -0.37 0.00 0.00 57.07 56.28 1va1 s TYR 548 Cb -0.05 -0.57 0.56 0.00 -0.40 0.00 0.00 41.96 41.50 1va1 s TYR 548 CO -0.03 -0.00 1.44 0.41 -1.57 0.00 0.00 175.55 175.79 1va1 n GLY 549 N 1.12 2.07 3.18 0.71 0.00 -1.26 -4.04 105.19 106.97 1va1 n GLY 549 Ca -0.20 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.70 0.32 0.36 1.61 1.02 -1.26 -5.03 119.74 115.06 1va1 s LYS 550 Ca 0.40 0.64 0.14 0.00 0.02 0.00 0.00 55.97 57.17 1va1 s LYS 550 Cb 0.25 -0.04 0.70 0.00 -0.52 0.00 0.00 37.83 38.22 1va1 s LYS 550 CO 0.20 -0.15 1.79 0.00 -0.92 0.00 0.00 175.35 176.28 1va1 h THR 551 N 5.55 1.20 -0.52 2.17 1.03 -2.02 -2.82 112.91 117.51 1va1 h THR 551 Ca -0.37 -1.42 0.11 0.00 -0.01 0.00 0.00 66.41 64.71 1va1 h THR 551 Cb 1.17 1.79 -0.03 0.00 -1.07 0.00 0.00 68.15 70.01 1va1 h THR 551 CO 0.33 0.40 0.36 0.28 -0.01 0.00 0.00 175.52 176.87 1va1 h SER 552 N 0.00 0.22 0.70 0.00 0.02 -2.01 0.15 113.55 112.63 1va1 h SER 552 Ca -0.00 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1va1 h SER 552 Cb 0.75 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1va1 h SER 552 CO 0.05 0.13 -0.49 -0.74 -1.14 0.00 0.00 176.83 174.64 1va1 h HIS 553 N 0.24 0.00 -0.73 3.45 2.76 -1.93 -3.12 115.15 115.82 1va1 h HIS 553 Ca 0.24 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.47 1va1 h HIS 553 Cb 0.64 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.54 1va1 h HIS 553 CO -0.00 0.49 0.42 1.25 -1.30 0.00 0.00 177.93 178.79 1va1 h LEU 554 N 0.00 0.63 0.09 0.26 5.85 -0.80 -0.89 115.31 120.46 1va1 h LEU 554 Ca -0.00 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1va1 h LEU 554 Cb 0.97 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1va1 h LEU 554 CO 0.06 0.40 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.37 1va1 h ARG 555 N 0.77 -0.21 -0.26 1.25 2.43 -1.55 0.88 114.38 117.68 1va1 h ARG 555 Ca 0.32 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.50 1va1 h ARG 555 Cb 0.19 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 1va1 h ARG 555 CO -0.18 -0.14 0.12 0.00 -1.51 0.00 0.00 179.97 178.26 1va1 h ALA 556 N 0.67 1.73 0.12 2.80 0.00 -1.55 -1.99 119.26 121.04 1va1 h ALA 556 Ca 0.01 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.59 1va1 h ALA 556 Cb 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1va1 h ALA 556 CO -0.04 0.22 -1.21 1.25 0.00 0.00 0.00 179.25 179.47 1va1 h HIS 557 N 0.36 0.48 -0.78 0.00 -0.00 -0.55 -3.30 115.15 111.35 1va1 h HIS 557 Ca 0.09 -0.34 -0.04 0.00 -0.00 0.00 0.00 60.37 60.08 1va1 h HIS 557 Cb 0.04 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.39 1va1 h HIS 557 CO 0.00 1.26 0.34 1.25 -0.00 0.00 0.00 177.93 180.78 1va1 h LEU 558 N 0.08 1.05 -2.01 0.26 5.85 0.15 -2.13 115.31 118.56 1va1 h LEU 558 Ca -0.13 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.48 1va1 h LEU 558 Cb 1.94 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.69 1va1 h LEU 558 CO 0.20 0.91 0.06 0.08 -0.34 0.00 0.00 178.44 179.35 1va1 h ARG 559 N 1.13 0.00 -0.06 1.25 0.11 -1.47 -0.63 114.38 114.71 1va1 h ARG 559 Ca 0.27 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 60.18 1va1 h ARG 559 Cb 0.17 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.24 1va1 h ARG 559 CO -0.03 0.00 -0.70 2.35 0.10 0.00 0.00 179.97 181.69 1va1 h TRP 560 N 0.00 0.38 -0.10 4.08 7.01 -1.50 -3.26 115.95 122.57 1va1 h TRP 560 Ca 0.04 -0.16 -0.09 0.00 2.11 0.00 0.00 58.89 60.79 1va1 h TRP 560 Cb 0.17 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 27.17 1va1 h TRP 560 CO 0.00 0.89 -0.29 0.45 -2.79 0.00 0.00 178.44 176.70 1va1 h HIS 561 N 0.19 0.48 -3.35 2.65 3.86 -1.01 -3.41 115.15 114.57 1va1 h HIS 561 Ca -0.02 -0.19 -0.59 0.00 -1.16 0.00 0.00 60.37 58.40 1va1 h HIS 561 Cb 1.25 -0.08 -0.09 0.00 1.06 0.00 0.00 27.41 29.55 1va1 h HIS 561 CO 0.03 0.91 0.54 0.95 0.86 0.00 0.00 177.93 181.21 1va1 s THR 562 N -3.82 4.73 0.00 2.45 -4.23 -0.59 -3.81 115.64 110.38 1va1 s THR 562 Ca -0.14 1.44 0.00 0.00 -1.18 0.00 0.00 61.69 61.81 1va1 s THR 562 Cb 0.04 -4.21 0.00 0.00 1.34 0.00 0.00 72.50 69.67 1va1 s THR 562 CO 0.78 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 1va1 n GLY 563 N 3.98 1.87 0.13 3.99 0.00 -1.26 -4.81 105.19 109.09 1va1 n GLY 563 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1va1 n GLY 563 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1va1 h GLU 564 N 0.00 0.32 0.00 1.61 5.08 -1.79 -3.51 114.58 116.30 1va1 h GLU 564 Ca 0.00 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1va1 h GLU 564 Cb 0.00 0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1va1 h GLU 564 CO 0.00 1.27 0.00 2.89 -1.00 0.00 0.00 179.01 182.17