#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 6.85 0.07 6.12 -1.08 -1.26 -5.00 116.67 122.38 1va1 s ASP 530 Ca 0.00 1.02 -0.29 0.00 -0.52 0.00 0.00 52.55 52.76 1va1 s ASP 530 Cb 0.00 -2.37 -0.13 0.00 -1.46 0.00 0.00 42.92 38.95 1va1 s ASP 530 CO 0.00 -0.16 1.46 -0.65 0.52 0.00 0.00 175.17 176.34 1va1 h PRO 531 N 6.98 -0.73 0.00 4.34 0.11 -2.12 -3.48 132.00 137.10 1va1 h PRO 531 Ca -0.38 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1va1 h PRO 531 Cb 1.17 0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1va1 h PRO 531 CO 0.77 -0.49 0.00 0.41 -0.21 0.00 0.00 178.00 178.48 1va1 n GLY 532 N -1.44 1.70 3.12 -0.55 0.00 -1.26 -5.09 105.19 101.67 1va1 n GLY 532 Ca -0.09 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 0.28 -0.27 1.61 2.20 -1.26 -5.13 119.74 117.16 1va1 s LYS 533 Ca 0.00 0.33 -0.26 0.00 -0.36 0.00 0.00 55.97 55.68 1va1 s LYS 533 Cb 0.00 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 1va1 s LYS 533 CO 0.00 -0.03 0.90 0.15 -0.36 0.00 0.00 175.35 176.01 1va1 s LYS 534 N 0.13 4.12 -0.53 4.03 3.01 -1.26 -5.00 119.74 124.23 1va1 s LYS 534 Ca -0.00 0.94 -0.28 0.00 -1.01 0.00 0.00 55.97 55.63 1va1 s LYS 534 Cb -0.02 -3.68 0.03 0.00 -1.01 0.00 0.00 37.83 33.15 1va1 s LYS 534 CO 0.00 -0.65 1.12 0.15 0.51 0.00 0.00 175.35 176.48 1va1 s LYS 535 N 3.08 3.56 0.04 1.68 3.01 -1.26 -4.99 119.74 124.87 1va1 s LYS 535 Ca 0.38 0.28 -0.10 0.00 -1.01 0.00 0.00 55.97 55.52 1va1 s LYS 535 Cb -0.14 -3.98 0.01 0.00 -1.01 0.00 0.00 37.83 32.71 1va1 s LYS 535 CO 0.10 -1.52 0.21 -0.65 0.51 0.00 0.00 175.35 174.00 1va1 s GLN 536 N 4.56 0.71 -0.36 1.68 -0.21 -1.26 -4.83 119.66 119.94 1va1 s GLN 536 Ca 0.43 -0.63 -0.03 0.00 0.02 0.00 0.00 55.36 55.14 1va1 s GLN 536 Cb -0.08 0.30 0.08 0.00 1.00 0.00 0.00 33.01 34.30 1va1 s GLN 536 CO 0.27 -0.21 0.13 -1.01 -2.12 0.00 0.00 175.29 172.35 1va1 s HIS 537 N -2.61 3.43 0.25 0.91 3.76 -0.35 -4.97 115.29 115.71 1va1 s HIS 537 Ca -0.05 -2.09 -0.07 0.00 -0.15 0.00 0.00 55.06 52.70 1va1 s HIS 537 Cb -0.01 -2.73 -0.06 0.00 1.11 0.00 0.00 32.58 30.89 1va1 s HIS 537 CO -0.04 -0.88 0.54 0.42 -0.85 0.00 0.00 174.74 173.93 1va1 s ILE 538 N 1.22 4.98 -0.15 0.60 -1.09 -1.26 -2.75 121.20 122.75 1va1 s ILE 538 Ca 0.02 0.28 -0.29 0.00 -2.23 0.00 0.00 60.65 58.44 1va1 s ILE 538 Cb -0.21 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 36.97 1va1 s ILE 538 CO -0.02 -0.16 1.51 0.00 -1.23 0.00 0.00 174.94 175.04 1va1 h HIS 540 N 9.46 0.00 -3.34 0.00 2.07 -1.99 -3.40 115.15 117.95 1va1 h HIS 540 Ca -0.33 0.00 -0.58 0.00 -2.85 0.00 0.00 60.37 56.61 1va1 h HIS 540 Cb 1.14 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 31.05 1va1 h HIS 540 CO 0.87 0.00 0.27 0.42 -3.07 0.00 0.00 177.93 176.42 1va1 s ILE 541 N -4.93 4.94 -0.28 6.12 1.01 -1.26 -4.98 121.20 121.81 1va1 s ILE 541 Ca -0.05 1.49 -0.28 0.00 0.00 0.00 0.00 60.65 61.81 1va1 s ILE 541 Cb 0.17 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 1va1 s ILE 541 CO 0.65 0.08 2.21 0.00 0.00 0.00 0.00 174.94 177.88 1va1 s GLN 542 N 1.88 2.96 0.00 2.79 -2.07 -1.26 -3.42 119.66 120.53 1va1 s GLN 542 Ca 0.36 1.85 0.00 0.00 -1.82 0.00 0.00 55.36 55.74 1va1 s GLN 542 Cb -0.17 -4.39 0.00 0.00 -1.09 0.00 0.00 33.01 27.36 1va1 s GLN 542 CO 0.13 -2.30 0.00 0.41 -1.32 0.00 0.00 175.29 172.21 1va1 n GLY 543 N 5.78 1.04 0.00 2.60 0.00 -1.26 -5.14 105.19 108.21 1va1 n GLY 543 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 1.23 -1.55 0.11 0.00 0.00 -1.26 -4.86 105.19 98.86 1va1 n GLY 545 Ca 0.00 0.53 -0.15 0.00 0.00 0.00 0.00 46.02 46.39 1va1 n GLY 545 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1va1 h LYS 546 N 0.00 0.16 -5.61 1.61 -0.00 -1.97 -3.50 116.57 107.26 1va1 h LYS 546 Ca 0.00 -0.27 -0.08 0.00 -0.00 0.00 0.00 60.65 60.30 1va1 h LYS 546 Cb 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 32.23 32.33 1va1 h LYS 546 CO 0.00 0.92 -0.80 0.28 -0.00 0.00 0.00 179.45 179.85 1va1 n VAL 547 N -3.31 -9.06 -4.00 0.07 0.31 -1.23 -5.01 118.33 96.10 1va1 n VAL 547 Ca -0.21 0.90 -0.26 0.00 -0.01 0.00 0.00 64.34 64.75 1va1 n VAL 547 Cb 1.05 -6.09 -0.04 0.00 -0.91 0.00 0.00 33.84 27.85 1va1 n VAL 547 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1va1 s TYR 548 N -2.03 3.34 -0.17 3.52 2.02 -1.11 -4.78 117.35 118.15 1va1 s TYR 548 Ca 0.20 0.06 0.20 0.00 -0.37 0.00 0.00 57.07 57.17 1va1 s TYR 548 Cb -0.04 -1.60 -0.09 0.00 -0.40 0.00 0.00 41.96 39.83 1va1 s TYR 548 CO 0.73 0.52 0.88 0.41 -1.57 0.00 0.00 175.55 176.52 1va1 n GLY 549 N -0.47 -1.31 3.61 0.71 0.00 -1.26 -1.21 105.19 105.26 1va1 n GLY 549 Ca -0.08 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.17 3.94 0.36 1.61 2.47 -1.26 -4.90 119.74 118.80 1va1 s LYS 550 Ca -0.02 -0.35 0.16 0.00 -1.56 0.00 0.00 55.97 54.20 1va1 s LYS 550 Cb 0.09 -3.34 0.68 0.00 -1.46 0.00 0.00 37.83 33.80 1va1 s LYS 550 CO 0.81 0.12 1.75 1.79 0.16 0.00 0.00 175.35 179.98 1va1 h THR 551 N 5.05 1.07 -0.53 3.43 1.35 -2.01 -2.94 112.91 118.33 1va1 h THR 551 Ca -0.37 -1.52 0.13 0.00 -0.55 0.00 0.00 66.41 64.10 1va1 h THR 551 Cb 1.17 1.88 -0.03 0.00 -1.73 0.00 0.00 68.15 69.44 1va1 h THR 551 CO 0.66 0.40 0.37 0.77 -0.25 0.00 0.00 175.52 177.47 1va1 h SER 552 N 0.00 0.10 0.92 5.36 4.64 -2.01 0.19 113.55 122.76 1va1 h SER 552 Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1va1 h SER 552 Cb 0.84 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.90 1va1 h SER 552 CO 0.05 0.06 -0.68 -0.74 -0.87 0.00 0.00 176.83 174.65 1va1 h HIS 553 N 0.11 0.00 -0.30 4.77 2.76 -1.95 -3.16 115.15 117.38 1va1 h HIS 553 Ca 0.25 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.39 1va1 h HIS 553 Cb 0.84 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.79 1va1 h HIS 553 CO -0.00 0.68 0.04 -0.07 -1.30 0.00 0.00 177.93 177.27 1va1 h LEU 554 N 0.00 0.41 -0.63 0.26 4.07 -0.72 -0.59 115.31 118.11 1va1 h LEU 554 Ca -0.01 -0.06 -0.03 0.00 0.08 0.00 0.00 57.88 57.87 1va1 h LEU 554 Cb 1.32 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.93 1va1 h LEU 554 CO 0.09 0.45 0.28 0.08 -1.08 0.00 0.00 178.44 178.25 1va1 h ARG 555 N 0.43 0.92 0.00 1.13 0.11 -1.48 0.26 114.38 115.75 1va1 h ARG 555 Ca 0.10 -0.15 -0.20 0.00 0.10 0.00 0.00 59.98 59.84 1va1 h ARG 555 Cb 0.23 -0.16 -0.01 0.00 1.11 0.00 0.00 29.97 31.14 1va1 h ARG 555 CO 0.00 0.75 -0.87 0.00 0.10 0.00 0.00 179.97 179.95 1va1 h ALA 556 N 1.12 0.53 -0.02 0.08 0.00 -1.57 -3.20 119.26 116.19 1va1 h ALA 556 Ca 0.21 -0.73 -0.16 0.00 0.00 0.00 0.00 54.91 54.23 1va1 h ALA 556 Cb 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1va1 h ALA 556 CO -0.02 0.92 -0.72 1.25 0.00 0.00 0.00 179.25 180.68 1va1 h HIS 557 N 0.10 0.20 -0.64 0.00 -0.00 -0.85 -3.19 115.15 110.77 1va1 h HIS 557 Ca -0.04 -0.09 -0.06 0.00 -0.00 0.00 0.00 60.37 60.17 1va1 h HIS 557 Cb 1.50 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 28.85 1va1 h HIS 557 CO 0.03 0.82 0.16 1.25 -0.00 0.00 0.00 177.93 180.18 1va1 h LEU 558 N 0.10 0.95 -2.01 0.26 5.85 -0.49 -2.39 115.31 117.57 1va1 h LEU 558 Ca -0.02 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.54 1va1 h LEU 558 Cb 1.28 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 1va1 h LEU 558 CO 0.11 0.91 0.06 0.08 -0.34 0.00 0.00 178.44 179.26 1va1 h ARG 559 N 0.96 0.00 -0.14 1.25 -0.00 -1.55 -2.18 114.38 112.72 1va1 h ARG 559 Ca 0.21 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 60.15 1va1 h ARG 559 Cb 0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.30 1va1 h ARG 559 CO -0.00 0.00 -0.05 2.35 -0.00 0.00 0.00 179.97 182.27 1va1 h TRP 560 N 0.00 0.32 -0.47 4.08 2.91 -1.52 -3.20 115.95 118.07 1va1 h TRP 560 Ca 0.04 -0.07 0.01 0.00 1.13 0.00 0.00 58.89 60.00 1va1 h TRP 560 Cb 0.16 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 28.71 1va1 h TRP 560 CO 0.00 0.59 0.30 0.45 -1.03 0.00 0.00 178.44 178.74 1va1 h HIS 561 N -0.03 0.56 -1.53 2.65 3.86 -1.37 -3.08 115.15 116.20 1va1 h HIS 561 Ca 0.03 0.02 -0.63 0.00 -1.16 0.00 0.00 60.37 58.63 1va1 h HIS 561 Cb 0.49 -0.18 -0.12 0.00 1.06 0.00 0.00 27.41 28.65 1va1 h HIS 561 CO 0.06 0.33 1.28 -0.08 0.86 0.00 0.00 177.93 180.38 1va1 s THR 562 N -6.15 4.19 0.00 2.45 -1.32 -0.95 -4.45 115.64 109.41 1va1 s THR 562 Ca -0.13 -1.03 0.00 0.00 -1.21 0.00 0.00 61.69 59.32 1va1 s THR 562 Cb 0.12 -4.97 0.00 0.00 -1.51 0.00 0.00 72.50 66.14 1va1 s THR 562 CO 0.73 -1.80 0.00 0.61 -2.21 0.00 0.00 174.62 171.96 1va1 n GLY 563 N 6.43 1.43 1.48 6.08 0.00 -1.26 -4.86 105.19 114.48 1va1 n GLY 563 Ca 0.30 -0.41 0.18 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 -3.31 0.00 1.61 1.02 -1.16 -5.14 120.64 113.65 1va1 n GLU 564 Ca 0.00 2.60 0.00 0.00 -0.02 0.00 0.00 57.16 59.74 1va1 n GLU 564 Cb 0.00 -3.91 0.00 0.00 -0.02 0.00 0.00 31.44 27.51 1va1 n GLU 564 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85