#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 -0.57 0.40 6.12 2.15 -1.26 -5.01 116.67 118.50 1va1 s ASP 530 Ca 0.00 -0.73 0.17 0.00 0.43 0.00 0.00 52.55 52.42 1va1 s ASP 530 Cb 0.00 1.49 0.85 0.00 -0.30 0.00 0.00 42.92 44.96 1va1 s ASP 530 CO 0.00 -0.25 1.85 1.55 -0.17 0.00 0.00 175.17 178.15 1va1 h PRO 531 N 7.39 0.00 0.00 4.34 0.13 -2.10 -3.47 132.00 138.29 1va1 h PRO 531 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1va1 h PRO 531 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1va1 h PRO 531 CO 0.16 0.33 0.00 0.41 -0.23 0.00 0.00 178.00 178.67 1va1 n GLY 532 N -0.34 2.69 3.51 1.56 0.00 -1.26 -4.99 105.19 106.35 1va1 n GLY 532 Ca -0.01 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 45.02 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 1.84 -0.30 1.61 -2.85 -1.26 -5.12 119.74 113.66 1va1 s LYS 533 Ca 0.00 -1.19 -0.06 0.00 -1.00 0.00 0.00 55.97 53.71 1va1 s LYS 533 Cb 0.00 -2.12 0.15 0.00 -2.06 0.00 0.00 37.83 33.80 1va1 s LYS 533 CO 0.00 0.47 0.62 0.21 0.10 0.00 0.00 175.35 176.76 1va1 s LYS 534 N -2.27 0.57 0.27 1.78 2.20 -1.26 -5.16 119.74 115.86 1va1 s LYS 534 Ca 0.19 1.27 -0.13 0.00 -0.36 0.00 0.00 55.97 56.94 1va1 s LYS 534 Cb -0.10 0.73 -0.08 0.00 -1.51 0.00 0.00 37.83 36.87 1va1 s LYS 534 CO 0.11 -0.37 0.65 0.15 -0.36 0.00 0.00 175.35 175.53 1va1 s LYS 535 N 2.88 3.94 0.02 4.03 1.02 -1.26 -5.09 119.74 125.27 1va1 s LYS 535 Ca 0.05 0.52 0.02 0.00 0.02 0.00 0.00 55.97 56.58 1va1 s LYS 535 Cb -0.13 -2.58 -0.01 0.00 -0.52 0.00 0.00 37.83 34.58 1va1 s LYS 535 CO -0.20 0.26 -0.07 -0.65 -0.92 0.00 0.00 175.35 173.77 1va1 s GLN 536 N -2.77 0.53 -0.19 1.68 -0.21 -1.26 -4.58 119.66 112.84 1va1 s GLN 536 Ca 0.50 -0.45 -0.02 0.00 0.02 0.00 0.00 55.36 55.41 1va1 s GLN 536 Cb -0.11 -0.43 -0.00 0.00 1.00 0.00 0.00 33.01 33.46 1va1 s GLN 536 CO 0.19 0.11 -0.11 -1.01 -2.12 0.00 0.00 175.29 172.35 1va1 s HIS 537 N -0.64 2.88 0.01 0.91 3.76 -0.03 -4.88 115.29 117.28 1va1 s HIS 537 Ca -0.02 -1.11 0.02 0.00 -0.15 0.00 0.00 55.06 53.80 1va1 s HIS 537 Cb -0.05 -2.00 -0.04 0.00 1.11 0.00 0.00 32.58 31.60 1va1 s HIS 537 CO 0.00 -0.58 -0.02 0.42 -0.85 0.00 0.00 174.74 173.71 1va1 s ILE 538 N 1.24 3.97 -0.69 0.60 1.01 -1.26 -2.08 121.20 123.98 1va1 s ILE 538 Ca 0.03 -0.69 -0.26 0.00 0.00 0.00 0.00 60.65 59.73 1va1 s ILE 538 Cb -0.14 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 1va1 s ILE 538 CO -0.05 0.36 1.94 0.00 0.00 0.00 0.00 174.94 177.19 1va1 h HIS 540 N 14.22 0.00 -4.13 0.00 3.86 -1.96 -3.43 115.15 123.70 1va1 h HIS 540 Ca -0.15 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.51 1va1 h HIS 540 Cb 1.12 0.00 0.16 0.00 1.06 0.00 0.00 27.41 29.75 1va1 h HIS 540 CO 1.09 0.00 0.47 0.42 0.86 0.00 0.00 177.93 180.77 1va1 s ILE 541 N -4.77 2.13 -0.58 2.45 -1.09 -1.26 -4.91 121.20 113.17 1va1 s ILE 541 Ca -0.05 0.07 -0.28 0.00 -2.23 0.00 0.00 60.65 58.17 1va1 s ILE 541 Cb 0.16 -2.89 0.02 0.00 -1.58 0.00 0.00 42.46 38.17 1va1 s ILE 541 CO 0.59 -0.02 1.34 -1.10 -1.23 0.00 0.00 174.94 174.51 1va1 s GLN 542 N -3.57 3.36 0.00 2.79 -0.21 -1.26 -4.01 119.66 116.75 1va1 s GLN 542 Ca 0.79 0.34 0.00 0.00 0.02 0.00 0.00 55.36 56.51 1va1 s GLN 542 Cb -0.34 -4.10 0.00 0.00 1.00 0.00 0.00 33.01 29.57 1va1 s GLN 542 CO 0.42 -1.88 0.00 0.41 -2.12 0.00 0.00 175.29 172.12 1va1 n GLY 543 N 5.21 1.03 3.94 3.09 0.00 -1.26 -5.14 105.19 112.05 1va1 n GLY 543 Ca 0.10 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.44 -0.09 0.62 0.00 0.00 -1.26 -4.73 105.19 96.27 1va1 n GLY 545 Ca 0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.27 0.21 -4.38 1.61 2.85 -1.26 -4.88 118.16 112.03 1va1 n LYS 546 Ca -0.07 -0.39 -0.21 0.00 -1.05 0.00 0.00 58.31 56.59 1va1 n LYS 546 Cb 0.52 -0.15 -0.10 0.00 -0.65 0.00 0.00 35.03 34.64 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 -0.78 2.00 0.05 0.58 1.01 -1.26 -4.11 120.40 117.89 1va1 s VAL 547 Ca 0.11 -2.21 -0.16 0.00 0.00 0.00 0.00 61.98 59.72 1va1 s VAL 547 Cb -0.00 -2.09 0.03 0.00 0.00 0.00 0.00 36.38 34.31 1va1 s VAL 547 CO 0.08 -0.47 0.35 -0.31 0.00 0.00 0.00 175.10 174.75 1va1 s TYR 548 N -2.62 -0.18 -0.07 5.22 2.02 -0.88 -4.89 117.35 115.96 1va1 s TYR 548 Ca 0.23 0.08 0.10 0.00 -0.37 0.00 0.00 57.07 57.11 1va1 s TYR 548 Cb -0.03 0.15 -0.14 0.00 -0.40 0.00 0.00 41.96 41.54 1va1 s TYR 548 CO 0.09 -0.54 0.11 0.41 -1.57 0.00 0.00 175.55 174.06 1va1 n GLY 549 N 0.53 -0.49 3.26 0.71 0.00 -1.26 -0.85 105.19 107.08 1va1 n GLY 549 Ca -0.18 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.43 1.81 0.31 1.61 -0.14 -1.26 -4.89 119.74 114.75 1va1 s LYS 550 Ca -0.05 -0.83 0.11 0.00 -1.36 0.00 0.00 55.97 53.85 1va1 s LYS 550 Cb 0.04 -1.77 0.49 0.00 -1.68 0.00 0.00 37.83 34.91 1va1 s LYS 550 CO 0.42 0.48 1.69 0.00 -0.76 0.00 0.00 175.35 177.19 1va1 h THR 551 N 4.55 1.38 -0.40 2.17 1.03 -2.01 -2.87 112.91 116.76 1va1 h THR 551 Ca -0.41 -1.81 0.11 0.00 -0.01 0.00 0.00 66.41 64.30 1va1 h THR 551 Cb 1.13 1.98 -0.02 0.00 -1.07 0.00 0.00 68.15 70.17 1va1 h THR 551 CO 0.47 0.52 0.32 -1.28 -0.01 0.00 0.00 175.52 175.54 1va1 h SER 552 N 0.00 0.00 0.96 0.00 0.87 -2.03 0.35 113.55 113.70 1va1 h SER 552 Ca -0.01 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 1va1 h SER 552 Cb 0.93 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 1va1 h SER 552 CO 0.07 0.00 -0.56 0.45 -0.53 0.00 0.00 176.83 176.26 1va1 h HIS 553 N 0.00 0.00 -0.23 2.24 3.86 -1.94 -3.11 115.15 115.97 1va1 h HIS 553 Ca 0.19 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 1va1 h HIS 553 Cb 0.83 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.29 1va1 h HIS 553 CO 0.00 0.56 0.09 1.25 0.86 0.00 0.00 177.93 180.69 1va1 h LEU 554 N 0.00 0.28 -0.23 2.43 5.85 -0.40 -1.15 115.31 122.09 1va1 h LEU 554 Ca -0.01 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1va1 h LEU 554 Cb 1.19 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1va1 h LEU 554 CO 0.07 0.27 0.07 0.08 -0.34 0.00 0.00 178.44 178.59 1va1 h ARG 555 N 0.32 0.35 -0.12 1.25 0.11 -1.52 0.87 114.38 115.64 1va1 h ARG 555 Ca 0.08 -0.08 -0.12 0.00 0.10 0.00 0.00 59.98 59.97 1va1 h ARG 555 Cb 0.08 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.09 1va1 h ARG 555 CO -0.01 0.44 -0.45 0.00 0.10 0.00 0.00 179.97 180.05 1va1 h ALA 556 N 0.90 1.00 0.15 0.08 0.00 -1.58 -2.75 119.26 117.06 1va1 h ALA 556 Ca 0.07 -0.45 -0.29 0.00 0.00 0.00 0.00 54.91 54.25 1va1 h ALA 556 Cb 0.23 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.95 1va1 h ALA 556 CO -0.00 0.63 -1.28 1.25 0.00 0.00 0.00 179.25 179.85 1va1 h HIS 557 N 0.25 0.72 -0.45 0.00 -0.00 -1.04 -3.27 115.15 111.35 1va1 h HIS 557 Ca 0.02 -0.50 0.00 0.00 -0.00 0.00 0.00 60.37 59.89 1va1 h HIS 557 Cb 0.90 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 28.25 1va1 h HIS 557 CO 0.02 1.37 0.29 -0.07 -0.00 0.00 0.00 177.93 179.54 1va1 h LEU 558 N 0.14 0.53 -2.01 0.26 3.38 0.83 -1.83 115.31 116.62 1va1 h LEU 558 Ca -0.17 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.79 1va1 h LEU 558 Cb 1.97 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.59 1va1 h LEU 558 CO 0.23 0.41 0.07 0.08 0.09 0.00 0.00 178.44 179.31 1va1 h ARG 559 N 0.61 0.00 -0.06 1.13 0.11 -1.59 -0.55 114.38 114.03 1va1 h ARG 559 Ca 0.16 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.12 1va1 h ARG 559 Cb -0.04 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.03 1va1 h ARG 559 CO -0.03 0.00 -0.53 -1.49 0.10 0.00 0.00 179.97 178.02 1va1 h TRP 560 N 0.00 0.21 -0.08 4.08 -0.00 -1.39 -3.20 115.95 115.57 1va1 h TRP 560 Ca 0.04 -0.07 -0.09 0.00 -0.00 0.00 0.00 58.89 58.78 1va1 h TRP 560 Cb 0.18 -0.04 0.00 0.00 -0.00 0.00 0.00 29.16 29.30 1va1 h TRP 560 CO 0.00 0.66 -0.30 0.45 -0.00 0.00 0.00 178.44 179.26 1va1 h HIS 561 N 0.13 0.46 -2.87 0.49 3.86 -0.83 -3.42 115.15 112.97 1va1 h HIS 561 Ca 0.00 -0.19 -0.56 0.00 -1.16 0.00 0.00 60.37 58.46 1va1 h HIS 561 Cb 0.98 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 29.33 1va1 h HIS 561 CO 0.01 0.91 1.17 -0.08 0.86 0.00 0.00 177.93 180.80 1va1 s THR 562 N -3.74 3.69 0.00 2.45 -1.32 -0.89 -4.51 115.64 111.32 1va1 s THR 562 Ca -0.14 0.66 0.00 0.00 -1.21 0.00 0.00 61.69 61.00 1va1 s THR 562 Cb 0.04 -4.04 0.00 0.00 -1.51 0.00 0.00 72.50 66.99 1va1 s THR 562 CO 0.77 -0.74 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 1va1 n GLY 563 N 5.29 0.82 3.65 6.08 0.00 -1.26 -4.91 105.19 114.86 1va1 n GLY 563 Ca 0.18 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 1va1 n GLY 563 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1va1 s GLU 564 N -0.50 2.03 0.00 1.61 2.02 -1.26 -4.98 118.70 117.62 1va1 s GLU 564 Ca 0.00 -2.23 0.00 0.00 0.02 0.00 0.00 54.97 52.76 1va1 s GLU 564 Cb 0.00 -1.36 0.00 0.00 0.10 0.00 0.00 34.13 32.87 1va1 s GLU 564 CO 0.00 -0.26 0.50 2.89 0.02 0.00 0.00 175.26 178.40