#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 6.66 0.55 7.83 -4.77 -1.26 -4.93 116.67 120.75 1va1 s ASP 530 Ca 0.00 0.75 0.29 0.00 -3.30 0.00 0.00 52.55 50.29 1va1 s ASP 530 Cb 0.00 -2.38 1.46 0.00 -1.09 0.00 0.00 42.92 40.91 1va1 s ASP 530 CO 0.00 -0.48 1.92 -0.65 0.70 0.00 0.00 175.17 176.66 1va1 h PRO 531 N 7.92 0.00 0.00 2.11 0.11 -2.13 -3.46 132.00 136.55 1va1 h PRO 531 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1va1 h PRO 531 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1va1 h PRO 531 CO 0.83 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.03 1va1 n GLY 532 N -1.62 2.21 3.66 -0.55 0.00 -1.26 -4.74 105.19 102.90 1va1 n GLY 532 Ca 0.13 -0.43 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 3.56 -0.11 1.61 0.00 -1.26 -5.09 119.74 118.44 1va1 s LYS 533 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 55.97 55.60 1va1 s LYS 533 Cb 0.00 -3.04 0.03 0.00 0.00 0.00 0.00 37.83 34.82 1va1 s LYS 533 CO 0.00 0.47 -0.07 0.15 0.00 0.00 0.00 175.35 175.90 1va1 s LYS 534 N -0.21 1.41 -0.12 1.78 1.02 -1.26 -5.11 119.74 117.24 1va1 s LYS 534 Ca 0.07 -0.21 -0.05 0.00 0.02 0.00 0.00 55.97 55.80 1va1 s LYS 534 Cb -0.12 -1.51 0.06 0.00 -0.52 0.00 0.00 37.83 35.74 1va1 s LYS 534 CO 0.02 -0.27 0.26 0.15 -0.92 0.00 0.00 175.35 174.58 1va1 s LYS 535 N 1.74 0.16 -0.18 1.68 1.02 -1.26 -5.15 119.74 117.75 1va1 s LYS 535 Ca 0.05 0.70 -0.15 0.00 0.02 0.00 0.00 55.97 56.60 1va1 s LYS 535 Cb -0.12 -0.06 0.05 0.00 -0.52 0.00 0.00 37.83 37.18 1va1 s LYS 535 CO -0.08 -0.26 0.47 1.14 -0.92 0.00 0.00 175.35 175.70 1va1 s GLN 536 N 2.17 0.52 -0.47 1.68 -2.07 -1.26 -5.01 119.66 115.22 1va1 s GLN 536 Ca -0.01 0.73 -0.13 0.00 -1.82 0.00 0.00 55.36 54.12 1va1 s GLN 536 Cb -0.12 0.19 0.09 0.00 -1.09 0.00 0.00 33.01 32.08 1va1 s GLN 536 CO -0.09 -0.09 0.37 -1.01 -1.32 0.00 0.00 175.29 173.15 1va1 s HIS 537 N 0.63 3.28 -0.10 9.60 3.76 -0.85 -4.98 115.29 126.63 1va1 s HIS 537 Ca -0.03 -1.21 0.00 0.00 -0.15 0.00 0.00 55.06 53.67 1va1 s HIS 537 Cb -0.05 -3.24 -0.02 0.00 1.11 0.00 0.00 32.58 30.38 1va1 s HIS 537 CO -0.04 -0.86 -0.10 0.42 -0.85 0.00 0.00 174.74 173.31 1va1 s ILE 538 N 1.56 3.42 -0.74 0.60 1.01 -1.26 -2.68 121.20 123.11 1va1 s ILE 538 Ca 0.04 -0.56 -0.26 0.00 0.00 0.00 0.00 60.65 59.87 1va1 s ILE 538 Cb -0.25 -2.42 -0.09 0.00 0.01 0.00 0.00 42.46 39.72 1va1 s ILE 538 CO 0.04 0.55 2.21 0.00 0.00 0.00 0.00 174.94 177.75 1va1 h HIS 540 N 13.89 0.00 -4.25 0.00 3.86 -1.96 -3.43 115.15 123.26 1va1 h HIS 540 Ca -0.05 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.65 1va1 h HIS 540 Cb 1.07 0.00 0.14 0.00 1.06 0.00 0.00 27.41 29.69 1va1 h HIS 540 CO 1.12 0.00 0.29 0.42 0.86 0.00 0.00 177.93 180.62 1va1 s ILE 541 N -4.59 3.02 -1.01 2.45 1.09 -1.26 -4.91 121.20 115.98 1va1 s ILE 541 Ca -0.05 0.33 0.14 0.00 -1.10 0.00 0.00 60.65 59.97 1va1 s ILE 541 Cb 0.15 -2.75 0.12 0.00 -1.06 0.00 0.00 42.46 38.92 1va1 s ILE 541 CO 0.53 -0.43 1.44 0.00 -0.10 0.00 0.00 174.94 176.38 1va1 n GLN 542 N -3.71 0.01 0.00 2.79 3.00 -1.26 -4.38 117.38 113.83 1va1 n GLN 542 Ca 0.09 0.26 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 1va1 n GLN 542 Cb 0.53 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.27 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 -0.07 -1.44 0.00 1.08 0.00 -1.26 -4.97 105.19 98.52 1va1 n GLY 543 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 5.00 0.83 0.47 0.00 0.00 -1.26 -4.44 105.19 105.79 1va1 n GLY 545 Ca 0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 46.02 45.42 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 0.33 -2.35 -4.36 1.61 2.85 -1.26 -4.71 118.16 110.26 1va1 n LYS 546 Ca -0.05 -0.22 -0.21 0.00 -1.05 0.00 0.00 58.31 56.78 1va1 n LYS 546 Cb 0.99 -0.28 -0.11 0.00 -0.65 0.00 0.00 35.03 34.99 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 -1.17 1.91 0.05 0.58 1.01 -1.26 -4.26 120.40 117.26 1va1 s VAL 547 Ca 0.10 -2.10 -0.26 0.00 0.00 0.00 0.00 61.98 59.73 1va1 s VAL 547 Cb -0.02 -1.99 0.07 0.00 0.00 0.00 0.00 36.38 34.44 1va1 s VAL 547 CO 0.08 -0.42 0.61 -0.31 0.00 0.00 0.00 175.10 175.06 1va1 s TYR 548 N -2.42 -0.55 -0.09 5.22 2.02 -1.09 -4.98 117.35 115.46 1va1 s TYR 548 Ca 0.20 0.66 0.13 0.00 -0.37 0.00 0.00 57.07 57.70 1va1 s TYR 548 Cb -0.04 0.45 0.20 0.00 -0.40 0.00 0.00 41.96 42.17 1va1 s TYR 548 CO 0.08 -0.71 1.09 0.41 -1.57 0.00 0.00 175.55 174.85 1va1 n GLY 549 N 0.30 3.83 3.19 0.71 0.00 -1.26 -2.00 105.19 109.95 1va1 n GLY 549 Ca -0.18 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 1va1 n GLY 549 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1va1 s LYS 550 N -2.14 0.33 0.28 1.61 2.20 -1.26 -5.04 119.74 115.73 1va1 s LYS 550 Ca 0.22 0.60 0.03 0.00 -0.36 0.00 0.00 55.97 56.46 1va1 s LYS 550 Cb 0.19 0.02 0.43 0.00 -1.51 0.00 0.00 37.83 36.95 1va1 s LYS 550 CO 0.02 -0.12 1.72 0.00 -0.36 0.00 0.00 175.35 176.61 1va1 h THR 551 N 5.34 1.27 -0.54 3.43 1.03 -2.01 -2.67 112.91 118.77 1va1 h THR 551 Ca -0.34 -1.32 0.12 0.00 -0.01 0.00 0.00 66.41 64.86 1va1 h THR 551 Cb 1.18 1.43 -0.03 0.00 -1.07 0.00 0.00 68.15 69.66 1va1 h THR 551 CO 0.32 0.41 0.37 0.28 -0.01 0.00 0.00 175.52 176.90 1va1 h SER 552 N 0.37 0.17 0.82 0.00 0.02 -2.01 0.29 113.55 113.20 1va1 h SER 552 Ca 0.05 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.89 1va1 h SER 552 Cb 0.70 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 1va1 h SER 552 CO 0.05 0.10 -0.55 0.45 -1.14 0.00 0.00 176.83 175.74 1va1 h HIS 553 N 0.19 0.00 -0.45 3.45 3.86 -1.90 -3.09 115.15 117.21 1va1 h HIS 553 Ca 0.26 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.38 1va1 h HIS 553 Cb 0.76 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.21 1va1 h HIS 553 CO -0.00 0.55 -0.08 1.25 0.86 0.00 0.00 177.93 180.51 1va1 h LEU 554 N 0.00 0.77 -1.05 2.43 5.85 -0.45 -0.64 115.31 122.22 1va1 h LEU 554 Ca -0.01 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.44 1va1 h LEU 554 Cb 1.11 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1va1 h LEU 554 CO 0.07 0.89 0.08 0.08 -0.34 0.00 0.00 178.44 179.22 1va1 h ARG 555 N 0.72 0.76 0.00 1.25 -0.00 -1.41 0.51 114.38 116.22 1va1 h ARG 555 Ca 0.13 -0.17 -0.15 0.00 -0.00 0.00 0.00 59.98 59.79 1va1 h ARG 555 Cb 0.56 -0.11 0.01 0.00 -0.00 0.00 0.00 29.97 30.43 1va1 h ARG 555 CO 0.03 0.72 -0.58 0.00 -0.00 0.00 0.00 179.97 180.15 1va1 h ALA 556 N 1.36 0.07 0.00 0.08 0.00 -1.51 -2.84 119.26 116.41 1va1 h ALA 556 Ca 0.16 -0.56 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 1va1 h ALA 556 Cb 0.33 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1va1 h ALA 556 CO 0.00 0.33 -0.44 1.25 0.00 0.00 0.00 179.25 180.39 1va1 h HIS 557 N -0.14 0.00 -0.17 0.00 -0.00 -0.99 -3.09 115.15 110.76 1va1 h HIS 557 Ca -0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.25 1va1 h HIS 557 Cb 1.29 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.70 1va1 h HIS 557 CO 0.15 0.44 -0.09 -0.07 -0.00 0.00 0.00 177.93 178.37 1va1 h LEU 558 N 0.00 0.37 -2.00 0.26 3.38 0.00 -2.95 115.31 114.37 1va1 h LEU 558 Ca -0.00 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 57.57 1va1 h LEU 558 Cb 0.86 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1va1 h LEU 558 CO 0.06 0.71 0.04 0.08 0.09 0.00 0.00 178.44 179.41 1va1 h ARG 559 N 0.04 0.00 -0.18 1.13 0.11 -1.45 -0.95 114.38 113.07 1va1 h ARG 559 Ca 0.04 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.01 1va1 h ARG 559 Cb 0.57 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.64 1va1 h ARG 559 CO 0.03 0.00 -0.33 2.35 0.10 0.00 0.00 179.97 182.11 1va1 h TRP 560 N 0.00 0.43 -0.12 4.08 2.91 -1.44 -2.87 115.95 118.94 1va1 h TRP 560 Ca 0.03 -0.10 -0.14 0.00 1.13 0.00 0.00 58.89 59.80 1va1 h TRP 560 Cb 0.11 -0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 28.65 1va1 h TRP 560 CO 0.00 0.67 -0.53 0.45 -1.03 0.00 0.00 178.44 178.00 1va1 h HIS 561 N 0.33 0.42 -2.45 2.65 3.86 -1.06 -3.49 115.15 115.40 1va1 h HIS 561 Ca 0.04 -0.14 0.27 0.00 -1.16 0.00 0.00 60.37 59.37 1va1 h HIS 561 Cb 0.75 -0.08 -0.07 0.00 1.06 0.00 0.00 27.41 29.07 1va1 h HIS 561 CO 0.02 0.79 -0.35 0.25 0.86 0.00 0.00 177.93 179.50 1va1 n THR 562 N -3.94 0.00 -2.27 2.45 -2.24 -1.05 -4.36 114.28 102.86 1va1 n THR 562 Ca -0.02 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.36 1va1 n THR 562 Cb 0.57 -0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 1va1 n THR 562 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1va1 s GLY 563 N -5.81 0.57 0.26 3.38 0.00 -1.26 -4.93 107.32 99.53 1va1 s GLY 563 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 44.72 43.88 1va1 s GLY 563 CO 0.00 3.04 0.27 -1.84 0.00 0.00 0.00 173.10 174.57 1va1 n GLU 564 N 9.14 0.39 0.00 2.90 -0.00 -1.26 -5.28 120.64 126.53 1va1 n GLU 564 Ca 0.13 -2.41 0.08 0.00 -0.00 0.00 0.00 57.16 54.96 1va1 n GLU 564 Cb 0.50 2.08 0.06 0.00 -0.00 0.00 0.00 31.44 34.09 1va1 n GLU 564 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02