#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 7.11 -0.23 6.12 -4.77 -1.26 -4.95 116.67 118.69 1va1 s ASP 530 Ca 0.00 1.78 -0.35 0.00 -3.30 0.00 0.00 52.55 50.68 1va1 s ASP 530 Cb 0.00 -2.56 -0.11 0.00 -1.09 0.00 0.00 42.92 39.15 1va1 s ASP 530 CO 0.00 -0.23 2.02 -2.65 0.70 0.00 0.00 175.17 175.01 1va1 n PRO 531 N -0.04 1.59 0.00 2.11 -0.02 -1.26 -4.86 135.00 132.52 1va1 n PRO 531 Ca 0.05 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1va1 n PRO 531 Cb 0.52 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1va1 n PRO 531 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1va1 n GLY 532 N 5.36 1.54 3.25 -1.23 0.00 -1.26 -5.13 105.19 107.71 1va1 n GLY 532 Ca 0.31 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 1va1 n GLY 532 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1va1 s LYS 533 N -2.00 3.17 -0.28 1.61 -2.85 -1.26 -5.08 119.74 113.05 1va1 s LYS 533 Ca 0.00 -0.75 0.02 0.00 -1.00 0.00 0.00 55.97 54.24 1va1 s LYS 533 Cb 0.00 -2.94 0.08 0.00 -2.06 0.00 0.00 37.83 32.90 1va1 s LYS 533 CO 0.00 -0.26 -0.01 0.15 0.10 0.00 0.00 175.35 175.33 1va1 s LYS 534 N 1.41 1.58 0.46 1.78 -0.14 -1.26 -5.07 119.74 118.51 1va1 s LYS 534 Ca 0.04 -1.36 0.00 0.00 -1.36 0.00 0.00 55.97 53.29 1va1 s LYS 534 Cb -0.15 -2.77 0.00 0.00 -1.68 0.00 0.00 37.83 33.24 1va1 s LYS 534 CO -0.05 -0.75 0.00 1.63 -0.76 0.00 0.00 175.35 175.42 1va1 n LYS 535 N 4.51 -2.94 -3.88 1.68 5.02 -1.26 -4.85 118.16 116.44 1va1 n LYS 535 Ca -0.06 2.21 -0.35 0.00 -2.02 0.00 0.00 58.31 58.09 1va1 n LYS 535 Cb 0.43 -3.55 -0.05 0.00 -0.02 0.00 0.00 35.03 31.84 1va1 n LYS 535 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1va1 s GLN 536 N -3.31 3.46 -0.35 1.97 -2.07 -1.26 -4.91 119.66 113.19 1va1 s GLN 536 Ca 0.00 -0.22 -0.20 0.00 -1.82 0.00 0.00 55.36 53.12 1va1 s GLN 536 Cb 0.00 -3.13 0.00 0.00 -1.09 0.00 0.00 33.01 28.79 1va1 s GLN 536 CO 0.00 0.71 0.64 -1.01 -1.32 0.00 0.00 175.29 174.31 1va1 s HIS 537 N -1.21 3.16 -0.03 9.60 3.76 0.30 -4.94 115.29 125.93 1va1 s HIS 537 Ca 0.23 0.40 0.06 0.00 -0.15 0.00 0.00 55.06 55.60 1va1 s HIS 537 Cb -0.12 -3.12 -0.01 0.00 1.11 0.00 0.00 32.58 30.43 1va1 s HIS 537 CO 0.13 -0.60 -0.23 0.42 -0.85 0.00 0.00 174.74 173.61 1va1 s ILE 538 N 2.70 1.83 0.07 0.60 1.01 -1.26 -1.10 121.20 125.05 1va1 s ILE 538 Ca 0.25 -0.96 -0.31 0.00 0.00 0.00 0.00 60.65 59.62 1va1 s ILE 538 Cb -0.14 -1.53 -0.11 0.00 0.01 0.00 0.00 42.46 40.69 1va1 s ILE 538 CO 0.14 0.51 1.88 0.00 0.00 0.00 0.00 174.94 177.47 1va1 n HIS 540 N 6.27 2.32 -5.19 0.00 8.25 -1.26 -4.78 115.22 120.83 1va1 n HIS 540 Ca 0.19 -1.56 -0.30 0.00 -0.26 0.00 0.00 57.72 55.80 1va1 n HIS 540 Cb 0.37 -0.79 -0.16 0.00 1.12 0.00 0.00 29.99 30.52 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 -2.53 1.90 -0.97 1.59 1.01 -1.26 -5.04 121.20 115.90 1va1 s ILE 541 Ca 0.43 -1.02 -0.26 0.00 0.00 0.00 0.00 60.65 59.81 1va1 s ILE 541 Cb 0.36 -1.59 -0.17 0.00 0.01 0.00 0.00 42.46 41.07 1va1 s ILE 541 CO 0.08 0.54 2.19 -1.58 0.00 0.00 0.00 174.94 176.17 1va1 s GLN 542 N -0.42 1.55 0.00 2.79 0.74 -1.26 -3.14 119.66 119.91 1va1 s GLN 542 Ca 0.05 -0.16 0.00 0.00 0.05 0.00 0.00 55.36 55.31 1va1 s GLN 542 Cb -0.11 -4.94 0.00 0.00 1.10 0.00 0.00 33.01 29.06 1va1 s GLN 542 CO 0.00 -4.83 0.00 0.41 -0.55 0.00 0.00 175.29 170.32 1va1 n GLY 543 N 6.42 -1.34 2.00 2.59 0.00 -1.26 -5.15 105.19 108.45 1va1 n GLY 543 Ca 0.44 0.49 -0.16 0.00 0.00 0.00 0.00 46.02 46.79 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 0.11 0.00 0.00 0.00 0.00 -1.26 -4.93 105.19 99.10 1va1 n GLY 545 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 1.10 -3.40 1.61 0.00 -1.26 -5.02 118.16 111.19 1va1 n LYS 546 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.12 1va1 n LYS 546 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 35.03 34.94 1va1 n LYS 546 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1va1 s VAL 547 N 0.87 -0.29 0.15 0.58 1.01 -1.26 -4.49 120.40 116.97 1va1 s VAL 547 Ca 0.00 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1va1 s VAL 547 Cb 0.00 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 1va1 s VAL 547 CO 0.00 -0.60 0.23 -0.31 0.00 0.00 0.00 175.10 174.42 1va1 s TYR 548 N 1.81 3.36 -0.27 5.22 1.51 -0.26 -4.90 117.35 123.83 1va1 s TYR 548 Ca 0.13 0.07 0.11 0.00 -1.01 0.00 0.00 57.07 56.37 1va1 s TYR 548 Cb -0.16 -1.61 0.47 0.00 -0.11 0.00 0.00 41.96 40.55 1va1 s TYR 548 CO -0.17 0.52 1.17 0.41 -1.11 0.00 0.00 175.55 176.37 1va1 n GLY 549 N -0.47 5.18 2.94 0.71 0.00 -1.26 0.11 105.19 112.40 1va1 n GLY 549 Ca -0.07 -2.20 -0.12 0.00 0.00 0.00 0.00 46.02 43.63 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 -3.57 0.27 0.19 1.61 1.02 -1.26 -4.97 119.74 113.02 1va1 s LYS 550 Ca 0.45 0.57 -0.09 0.00 0.02 0.00 0.00 55.97 56.92 1va1 s LYS 550 Cb 0.39 -0.45 0.08 0.00 -0.52 0.00 0.00 37.83 37.33 1va1 s LYS 550 CO 0.01 -0.52 1.65 0.00 -0.92 0.00 0.00 175.35 175.57 1va1 h THR 551 N 6.23 1.27 -0.35 2.17 1.03 -1.98 -2.54 112.91 118.74 1va1 h THR 551 Ca -0.17 -1.15 0.02 0.00 -0.01 0.00 0.00 66.41 65.10 1va1 h THR 551 Cb 1.14 0.78 -0.02 0.00 -1.07 0.00 0.00 68.15 68.98 1va1 h THR 551 CO 0.23 0.42 0.23 0.28 -0.01 0.00 0.00 175.52 176.67 1va1 h SER 552 N 0.98 0.32 0.77 0.00 0.02 -2.03 -0.76 113.55 112.85 1va1 h SER 552 Ca 0.18 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.95 1va1 h SER 552 Cb 0.55 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1va1 h SER 552 CO 0.03 0.22 -0.79 -0.74 -1.14 0.00 0.00 176.83 174.42 1va1 h HIS 553 N 0.37 0.02 -0.33 3.45 6.17 -1.90 -3.10 115.15 119.83 1va1 h HIS 553 Ca 0.14 -0.01 0.08 0.00 0.71 0.00 0.00 60.37 61.29 1va1 h HIS 553 Cb 0.10 -0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.01 1va1 h HIS 553 CO -0.00 0.79 0.23 1.25 0.71 0.00 0.00 177.93 180.91 1va1 h LEU 554 N 0.01 0.05 -0.46 0.26 5.85 -0.74 -1.28 115.31 119.00 1va1 h LEU 554 Ca -0.01 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.75 1va1 h LEU 554 Cb 1.39 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.37 1va1 h LEU 554 CO 0.10 0.03 0.22 0.08 -0.34 0.00 0.00 178.44 178.53 1va1 h ARG 555 N 0.06 0.42 -0.04 1.25 0.11 -1.49 0.90 114.38 115.58 1va1 h ARG 555 Ca 0.15 -0.03 -0.17 0.00 0.10 0.00 0.00 59.98 60.04 1va1 h ARG 555 Cb 0.54 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.51 1va1 h ARG 555 CO -0.01 0.28 -0.72 0.00 0.10 0.00 0.00 179.97 179.62 1va1 h ALA 556 N 1.26 0.71 -0.08 0.08 0.00 -1.44 -2.86 119.26 116.92 1va1 h ALA 556 Ca 0.20 -0.62 -0.16 0.00 0.00 0.00 0.00 54.91 54.33 1va1 h ALA 556 Cb 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1va1 h ALA 556 CO -0.16 0.80 -0.66 1.25 0.00 0.00 0.00 179.25 180.49 1va1 h HIS 557 N 0.15 0.45 -0.27 0.00 -0.00 -0.61 -3.16 115.15 111.70 1va1 h HIS 557 Ca -0.02 -0.18 -0.09 0.00 -0.00 0.00 0.00 60.37 60.08 1va1 h HIS 557 Cb 1.27 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 28.60 1va1 h HIS 557 CO 0.03 0.90 -0.16 -0.07 -0.00 0.00 0.00 177.93 178.62 1va1 h LEU 558 N 0.24 0.62 -2.01 0.26 3.38 0.84 -2.98 115.31 115.67 1va1 h LEU 558 Ca -0.01 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.56 1va1 h LEU 558 Cb 1.20 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1va1 h LEU 558 CO 0.11 0.91 0.07 0.08 0.09 0.00 0.00 178.44 179.69 1va1 h ARG 559 N 0.33 0.00 -0.01 1.13 0.11 -1.53 -0.43 114.38 113.98 1va1 h ARG 559 Ca 0.06 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.04 1va1 h ARG 559 Cb 0.69 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.75 1va1 h ARG 559 CO 0.05 0.00 -0.47 -1.49 0.10 0.00 0.00 179.97 178.15 1va1 h TRP 560 N 0.00 0.04 0.00 4.08 4.06 -1.49 -3.00 115.95 119.64 1va1 h TRP 560 Ca 0.04 -0.01 -0.23 0.00 2.06 0.00 0.00 58.89 60.75 1va1 h TRP 560 Cb 0.18 -0.01 0.01 0.00 -1.00 0.00 0.00 29.16 28.33 1va1 h TRP 560 CO 0.00 0.50 -0.97 0.45 -3.56 0.00 0.00 178.44 174.87 1va1 h HIS 561 N 0.03 0.69 0.00 0.49 3.86 -1.05 -3.46 115.15 115.70 1va1 h HIS 561 Ca -0.00 -0.38 0.00 0.00 -1.16 0.00 0.00 60.37 58.83 1va1 h HIS 561 Cb 0.85 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.24 1va1 h HIS 561 CO 0.00 1.20 0.00 0.25 0.86 0.00 0.00 177.93 180.24 1va1 n THR 562 N -3.76 0.00 0.02 2.45 -2.24 -0.93 -3.51 114.28 106.30 1va1 n THR 562 Ca -0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 1va1 n THR 562 Cb 0.85 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.08 1va1 n THR 562 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1va1 n GLY 563 N 0.00 -0.54 2.61 3.38 0.00 -1.26 -5.03 105.19 104.35 1va1 n GLY 563 Ca 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.57 -4.51 0.00 1.61 -0.58 -1.23 -5.17 120.64 108.20 1va1 n GLU 564 Ca 0.00 3.41 0.00 0.00 -0.42 0.00 0.00 57.16 60.15 1va1 n GLU 564 Cb 0.00 -5.16 0.00 0.00 -0.57 0.00 0.00 31.44 25.71 1va1 n GLU 564 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52