#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 6.26 0.24 7.83 -4.77 -1.26 -4.92 116.67 120.05 1va1 s ASP 530 Ca 0.00 -0.73 -0.01 0.00 -3.30 0.00 0.00 52.55 48.52 1va1 s ASP 530 Cb 0.00 -2.33 0.28 0.00 -1.09 0.00 0.00 42.92 39.77 1va1 s ASP 530 CO 0.00 -0.98 1.65 1.55 0.70 0.00 0.00 175.17 178.09 1va1 h PRO 531 N 9.08 0.59 0.00 2.11 0.13 -2.09 -3.47 132.00 138.35 1va1 h PRO 531 Ca -0.27 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1va1 h PRO 531 Cb 1.09 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1va1 h PRO 531 CO 1.00 0.82 0.00 0.41 -0.23 0.00 0.00 178.00 180.00 1va1 n GLY 532 N -0.21 1.83 3.77 1.56 0.00 -1.26 -4.79 105.19 106.08 1va1 n GLY 532 Ca -0.01 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 1va1 n GLY 532 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1va1 s LYS 533 N 0.00 2.75 -0.17 1.61 1.02 -1.26 -5.13 119.74 118.56 1va1 s LYS 533 Ca 0.00 -1.04 -0.16 0.00 0.02 0.00 0.00 55.97 54.79 1va1 s LYS 533 Cb 0.00 -2.51 0.04 0.00 -0.52 0.00 0.00 37.83 34.85 1va1 s LYS 533 CO 0.00 0.44 0.46 0.21 -0.92 0.00 0.00 175.35 175.54 1va1 s LYS 534 N -3.41 0.56 -0.08 1.68 2.20 -1.26 -5.17 119.74 114.26 1va1 s LYS 534 Ca 0.31 0.61 -0.07 0.00 -0.36 0.00 0.00 55.97 56.46 1va1 s LYS 534 Cb -0.09 0.27 0.02 0.00 -1.51 0.00 0.00 37.83 36.53 1va1 s LYS 534 CO 0.23 -0.07 0.21 -1.59 -0.36 0.00 0.00 175.35 173.76 1va1 s LYS 535 N 0.17 0.23 0.56 4.03 -2.85 -1.26 -5.12 119.74 115.50 1va1 s LYS 535 Ca -0.01 0.32 0.00 0.00 -1.00 0.00 0.00 55.97 55.28 1va1 s LYS 535 Cb -0.03 0.08 0.00 0.00 -2.06 0.00 0.00 37.83 35.82 1va1 s LYS 535 CO 0.01 -0.05 0.00 1.04 0.10 0.00 0.00 175.35 176.45 1va1 n GLN 536 N 3.16 -2.55 -2.97 1.78 6.02 -1.26 -4.64 117.38 116.92 1va1 n GLN 536 Ca -0.15 1.68 -0.41 0.00 -0.01 0.00 0.00 57.00 58.11 1va1 n GLN 536 Cb 0.58 -3.11 -0.05 0.00 1.02 0.00 0.00 30.24 28.68 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 -1.93 3.31 -0.02 1.08 3.76 0.29 -4.97 115.29 116.81 1va1 s HIS 537 Ca 0.00 1.04 0.07 0.00 -0.15 0.00 0.00 55.06 56.01 1va1 s HIS 537 Cb 0.00 -2.97 -0.02 0.00 1.11 0.00 0.00 32.58 30.70 1va1 s HIS 537 CO 0.00 -0.36 -0.22 0.42 -0.85 0.00 0.00 174.74 173.74 1va1 s ILE 538 N 2.65 1.71 -0.81 0.60 -1.09 -1.26 -0.94 121.20 122.06 1va1 s ILE 538 Ca 0.32 -0.92 -0.25 0.00 -2.23 0.00 0.00 60.65 57.57 1va1 s ILE 538 Cb -0.15 -1.42 -0.08 0.00 -1.58 0.00 0.00 42.46 39.22 1va1 s ILE 538 CO 0.08 0.48 2.16 0.00 -1.23 0.00 0.00 174.94 176.43 1va1 h HIS 540 N 12.68 0.00 -2.53 0.00 2.76 -1.97 -3.43 115.15 122.66 1va1 h HIS 540 Ca 0.01 0.00 -0.53 0.00 -2.20 0.00 0.00 60.37 57.65 1va1 h HIS 540 Cb 1.03 0.00 0.05 0.00 1.55 0.00 0.00 27.41 30.04 1va1 h HIS 540 CO 1.17 0.00 1.09 -0.89 -1.30 0.00 0.00 177.93 177.99 1va1 n ILE 541 N -4.45 0.28 -1.57 6.26 5.41 -1.26 -4.85 119.36 119.17 1va1 n ILE 541 Ca -0.02 -0.05 -0.38 0.00 1.00 0.00 0.00 62.75 63.30 1va1 n ILE 541 Cb 0.15 -2.09 -0.03 0.00 -0.71 0.00 0.00 39.64 36.96 1va1 n ILE 541 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1va1 s GLN 542 N 2.36 2.41 0.00 0.38 -0.21 -1.26 -3.39 119.66 119.94 1va1 s GLN 542 Ca 0.80 1.60 0.00 0.00 0.02 0.00 0.00 55.36 57.78 1va1 s GLN 542 Cb -0.49 -4.52 0.00 0.00 1.00 0.00 0.00 33.01 29.00 1va1 s GLN 542 CO 0.36 -2.93 0.00 0.41 -2.12 0.00 0.00 175.29 171.01 1va1 n GLY 543 N 5.93 0.18 0.69 3.09 0.00 -1.26 -5.15 105.19 108.68 1va1 n GLY 543 Ca 0.35 0.20 -0.05 0.00 0.00 0.00 0.00 46.02 46.51 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 3.06 0.00 0.61 0.00 0.00 -1.26 -4.95 105.19 102.65 1va1 n GLY 545 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.76 -3.91 1.61 2.85 -1.26 -5.03 118.16 113.18 1va1 n LYS 546 Ca 0.00 -0.46 -0.25 0.00 -1.05 0.00 0.00 58.31 56.55 1va1 n LYS 546 Cb 0.00 -0.07 -0.17 0.00 -0.65 0.00 0.00 35.03 34.14 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 0.14 0.79 0.14 0.58 1.01 -1.26 -4.45 120.40 117.34 1va1 s VAL 547 Ca 0.10 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.00 1va1 s VAL 547 Cb -0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1va1 s VAL 547 CO 0.06 0.32 -0.16 -0.31 0.00 0.00 0.00 175.10 175.02 1va1 s TYR 548 N 1.70 1.56 -0.19 5.22 1.51 -0.11 -5.01 117.35 122.03 1va1 s TYR 548 Ca 0.03 -0.53 0.20 0.00 -1.01 0.00 0.00 57.07 55.76 1va1 s TYR 548 Cb -0.13 -0.80 0.47 0.00 -0.11 0.00 0.00 41.96 41.39 1va1 s TYR 548 CO -0.06 0.21 1.15 0.41 -1.11 0.00 0.00 175.55 176.15 1va1 n GLY 549 N 0.43 2.77 3.14 0.71 0.00 -1.26 0.10 105.19 111.08 1va1 n GLY 549 Ca -0.15 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.67 0.25 0.06 1.61 -0.14 -1.26 -4.95 119.74 112.64 1va1 s LYS 550 Ca 0.34 0.78 -0.18 0.00 -1.36 0.00 0.00 55.97 55.56 1va1 s LYS 550 Cb 0.36 0.04 -0.13 0.00 -1.68 0.00 0.00 37.83 36.42 1va1 s LYS 550 CO -0.06 -0.22 1.35 1.15 -0.76 0.00 0.00 175.35 176.80 1va1 h THR 551 N 6.02 1.33 -0.54 2.17 2.02 -2.00 -2.60 112.91 119.31 1va1 h THR 551 Ca -0.25 -1.48 0.09 0.00 0.77 0.00 0.00 66.41 65.55 1va1 h THR 551 Cb 1.14 1.83 -0.03 0.00 -1.74 0.00 0.00 68.15 69.34 1va1 h THR 551 CO 0.21 0.45 0.37 0.77 0.37 0.00 0.00 175.52 177.69 1va1 h SER 552 N 0.20 0.31 0.75 4.18 4.64 -2.02 0.45 113.55 122.06 1va1 h SER 552 Ca 0.02 0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.17 1va1 h SER 552 Cb 0.85 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.86 1va1 h SER 552 CO 0.06 0.19 -0.81 0.45 -0.87 0.00 0.00 176.83 175.85 1va1 h HIS 553 N 0.35 0.06 -0.77 4.77 3.86 -1.96 -3.19 115.15 118.27 1va1 h HIS 553 Ca 0.25 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.43 1va1 h HIS 553 Cb 0.52 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.95 1va1 h HIS 553 CO -0.00 0.83 0.51 1.25 0.86 0.00 0.00 177.93 181.38 1va1 h LEU 554 N 0.02 0.88 -1.06 2.43 5.85 -0.51 -1.41 115.31 121.52 1va1 h LEU 554 Ca -0.02 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1va1 h LEU 554 Cb 1.43 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 1va1 h LEU 554 CO 0.11 0.64 0.63 0.08 -0.34 0.00 0.00 178.44 179.57 1va1 h ARG 555 N 1.04 1.17 -0.02 1.25 0.11 -1.48 0.71 114.38 117.16 1va1 h ARG 555 Ca 0.28 -0.07 -0.20 0.00 0.10 0.00 0.00 59.98 60.09 1va1 h ARG 555 Cb -0.12 -0.26 -0.00 0.00 1.11 0.00 0.00 29.97 30.70 1va1 h ARG 555 CO -0.06 0.77 -0.86 0.00 0.10 0.00 0.00 179.97 179.92 1va1 h ALA 556 N 1.44 0.48 -0.00 0.08 0.00 -1.49 -3.02 119.26 116.76 1va1 h ALA 556 Ca 0.39 -0.68 -0.20 0.00 0.00 0.00 0.00 54.91 54.42 1va1 h ALA 556 Cb 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1va1 h ALA 556 CO -0.13 0.83 -0.87 1.25 0.00 0.00 0.00 179.25 180.33 1va1 h HIS 557 N 0.20 0.31 -0.37 0.00 -0.00 -0.55 -3.23 115.15 111.51 1va1 h HIS 557 Ca -0.05 -0.17 -0.04 0.00 -0.00 0.00 0.00 60.37 60.11 1va1 h HIS 557 Cb 1.48 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.84 1va1 h HIS 557 CO 0.05 0.97 0.08 1.25 -0.00 0.00 0.00 177.93 180.28 1va1 h LEU 558 N 0.12 0.56 -2.00 0.26 5.85 0.41 -2.58 115.31 117.92 1va1 h LEU 558 Ca -0.04 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.46 1va1 h LEU 558 Cb 1.49 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.37 1va1 h LEU 558 CO 0.13 0.65 0.06 0.08 -0.34 0.00 0.00 178.44 179.02 1va1 h ARG 559 N 0.44 0.00 -0.45 1.25 0.11 -1.58 -1.62 114.38 112.53 1va1 h ARG 559 Ca 0.11 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.07 1va1 h ARG 559 Cb 0.31 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.38 1va1 h ARG 559 CO 0.00 0.00 -0.22 2.35 0.10 0.00 0.00 179.97 182.20 1va1 h TRP 560 N 0.00 1.09 -0.46 4.08 7.01 -1.49 -3.15 115.95 123.04 1va1 h TRP 560 Ca 0.04 -0.27 -0.04 0.00 2.11 0.00 0.00 58.89 60.73 1va1 h TRP 560 Cb 0.16 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 26.95 1va1 h TRP 560 CO 0.00 1.08 0.13 0.45 -2.79 0.00 0.00 178.44 177.32 1va1 h HIS 561 N 0.79 0.74 -3.57 2.65 3.86 -1.13 -3.41 115.15 115.09 1va1 h HIS 561 Ca 0.10 -0.08 -0.63 0.00 -1.16 0.00 0.00 60.37 58.60 1va1 h HIS 561 Cb 0.80 -0.21 -0.14 0.00 1.06 0.00 0.00 27.41 28.92 1va1 h HIS 561 CO 0.06 0.67 0.11 0.95 0.86 0.00 0.00 177.93 180.57 1va1 s THR 562 N -5.38 4.91 0.00 2.45 -4.23 -0.98 -4.21 115.64 108.21 1va1 s THR 562 Ca -0.13 0.56 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 1va1 s THR 562 Cb 0.11 -4.05 0.00 0.00 1.34 0.00 0.00 72.50 69.89 1va1 s THR 562 CO 0.78 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 175.18 1va1 n GLY 563 N 4.68 1.34 1.67 3.99 0.00 -1.26 -4.80 105.19 110.81 1va1 n GLY 563 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1va1 n GLY 563 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1va1 n GLU 564 N -0.10 0.00 0.00 1.61 -0.00 -1.26 -5.06 120.64 115.83 1va1 n GLU 564 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1va1 n GLU 564 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 31.44 31.38 1va1 n GLU 564 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67