#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va1 n ASP 530 N 0.00 -5.27 -4.11 7.83 9.92 -1.26 -4.96 116.55 118.71 1va1 n ASP 530 Ca 0.00 1.38 -0.31 0.00 -0.53 0.00 0.00 54.79 55.33 1va1 n ASP 530 Cb 0.00 -5.22 0.15 0.00 -0.64 0.00 0.00 41.12 35.41 1va1 n ASP 530 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1va1 n PRO 531 N 1.03 -1.59 -4.50 -0.24 -0.02 -1.26 -5.04 135.00 123.39 1va1 n PRO 531 Ca -0.15 -0.45 -0.23 0.00 -2.02 0.00 0.00 63.50 60.65 1va1 n PRO 531 Cb 0.23 -1.57 -0.11 0.00 -0.02 0.00 0.00 33.50 32.03 1va1 n PRO 531 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1va1 s GLY 532 N -1.77 2.17 -0.16 -1.23 0.00 -1.26 -5.14 107.32 99.93 1va1 s GLY 532 Ca 0.50 -2.12 -0.09 0.00 0.00 0.00 0.00 44.72 43.01 1va1 s GLY 532 CO 0.60 -1.90 0.14 1.25 0.00 0.00 0.00 173.10 173.19 1va1 s LYS 533 N -3.82 3.86 -0.04 2.90 2.47 -1.26 -5.10 119.74 118.76 1va1 s LYS 533 Ca 0.35 -0.16 0.00 0.00 -1.56 0.00 0.00 55.97 54.60 1va1 s LYS 533 Cb 0.09 -3.32 -0.03 0.00 -1.46 0.00 0.00 37.83 33.10 1va1 s LYS 533 CO 0.16 0.51 -0.01 -1.59 0.16 0.00 0.00 175.35 174.58 1va1 s LYS 534 N -0.26 2.83 0.35 4.03 -2.85 -1.26 -5.08 119.74 117.50 1va1 s LYS 534 Ca 0.12 -0.54 0.04 0.00 -1.00 0.00 0.00 55.97 54.58 1va1 s LYS 534 Cb -0.12 -2.69 -0.01 0.00 -2.06 0.00 0.00 37.83 32.95 1va1 s LYS 534 CO 0.01 0.65 0.38 0.15 0.10 0.00 0.00 175.35 176.64 1va1 s LYS 535 N -1.25 1.88 -0.02 1.78 1.02 -1.26 -5.07 119.74 116.82 1va1 s LYS 535 Ca 0.17 -1.94 -0.17 0.00 0.02 0.00 0.00 55.97 54.05 1va1 s LYS 535 Cb -0.11 0.38 -0.05 0.00 -0.52 0.00 0.00 37.83 37.53 1va1 s LYS 535 CO 0.07 -0.74 0.47 -0.65 -0.92 0.00 0.00 175.35 173.57 1va1 s GLN 536 N -3.17 4.13 0.09 1.68 1.11 -1.26 -4.00 119.66 118.24 1va1 s GLN 536 Ca 0.36 0.50 0.10 0.00 0.01 0.00 0.00 55.36 56.33 1va1 s GLN 536 Cb 0.01 -3.30 -0.03 0.00 -1.01 0.00 0.00 33.01 28.68 1va1 s GLN 536 CO 0.26 0.50 -0.25 -3.38 0.01 0.00 0.00 175.29 172.42 1va1 s HIS 537 N -0.50 2.17 0.13 0.91 -3.43 -1.12 -4.98 115.29 108.47 1va1 s HIS 537 Ca 0.26 -0.39 0.08 0.00 -0.80 0.00 0.00 55.06 54.20 1va1 s HIS 537 Cb -0.17 -1.23 -0.04 0.00 -1.43 0.00 0.00 32.58 29.71 1va1 s HIS 537 CO 0.14 0.22 -0.19 0.42 -2.00 0.00 0.00 174.74 173.33 1va1 s ILE 538 N -0.96 1.71 -0.74 -5.38 1.09 -1.26 -3.56 121.20 112.09 1va1 s ILE 538 Ca 0.11 -1.70 -0.26 0.00 -1.10 0.00 0.00 60.65 57.70 1va1 s ILE 538 Cb -0.10 -1.66 0.01 0.00 -1.06 0.00 0.00 42.46 39.65 1va1 s ILE 538 CO 0.04 -0.19 1.58 0.00 -0.10 0.00 0.00 174.94 176.27 1va1 h HIS 540 N 11.95 0.00 -3.06 0.00 3.86 -1.98 -3.42 115.15 122.51 1va1 h HIS 540 Ca -0.18 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.50 1va1 h HIS 540 Cb 1.08 0.00 0.08 0.00 1.06 0.00 0.00 27.41 29.63 1va1 h HIS 540 CO 1.12 0.18 0.89 -0.89 0.86 0.00 0.00 177.93 180.09 1va1 n ILE 541 N -4.10 0.75 -1.67 2.45 -0.00 -1.26 -4.85 119.36 110.68 1va1 n ILE 541 Ca -0.02 -0.19 -0.40 0.00 -0.00 0.00 0.00 62.75 62.14 1va1 n ILE 541 Cb 0.25 -1.92 -0.03 0.00 -0.00 0.00 0.00 39.64 37.95 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 -0.08 2.69 0.00 0.38 -1.52 -1.26 -3.43 119.66 116.45 1va1 s GLN 542 Ca 0.67 1.58 0.00 0.00 -1.95 0.00 0.00 55.36 55.67 1va1 s GLN 542 Cb -0.52 -4.44 0.00 0.00 -0.22 0.00 0.00 33.01 27.84 1va1 s GLN 542 CO 0.45 -2.60 0.00 0.41 -0.25 0.00 0.00 175.29 173.29 1va1 n GLY 543 N 5.82 0.82 3.95 3.09 0.00 -1.26 -5.14 105.19 112.47 1va1 n GLY 543 Ca 0.31 0.02 -0.27 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.25 -0.39 1.02 0.00 0.00 -1.26 -4.74 105.19 96.57 1va1 n GLY 545 Ca 0.14 -0.03 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.44 0.39 -3.68 1.61 2.85 -1.26 -4.89 118.16 112.74 1va1 n LYS 546 Ca -0.14 -0.71 -0.14 0.00 -1.05 0.00 0.00 58.31 56.28 1va1 n LYS 546 Cb 0.62 -0.18 -0.09 0.00 -0.65 0.00 0.00 35.03 34.74 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 -0.68 0.00 0.04 0.58 1.01 -1.26 -4.12 120.40 115.97 1va1 s VAL 547 Ca 0.18 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 62.04 1va1 s VAL 547 Cb -0.01 -0.77 0.00 0.00 0.00 0.00 0.00 36.38 35.61 1va1 s VAL 547 CO 0.12 -0.01 0.19 -0.31 0.00 0.00 0.00 175.10 175.09 1va1 s TYR 548 N 0.13 0.06 -0.39 5.22 2.02 -1.23 -4.99 117.35 118.17 1va1 s TYR 548 Ca -0.01 -0.29 0.07 0.00 -0.37 0.00 0.00 57.07 56.47 1va1 s TYR 548 Cb -0.04 -0.03 0.56 0.00 -0.40 0.00 0.00 41.96 42.05 1va1 s TYR 548 CO 0.01 -0.43 1.56 0.41 -1.57 0.00 0.00 175.55 175.53 1va1 n GLY 549 N 0.66 3.22 3.15 0.71 0.00 -1.26 -2.79 105.19 108.88 1va1 n GLY 549 Ca -0.19 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 1va1 n GLY 549 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1va1 s LYS 550 N -2.39 0.27 0.29 1.61 0.00 -1.26 -4.49 119.74 113.77 1va1 s LYS 550 Ca 0.42 0.75 0.08 0.00 0.00 0.00 0.00 55.97 57.22 1va1 s LYS 550 Cb 0.33 0.01 0.42 0.00 0.00 0.00 0.00 37.83 38.59 1va1 s LYS 550 CO 0.10 -0.20 1.66 1.79 0.00 0.00 0.00 175.35 178.70 1va1 h THR 551 N 5.91 1.37 -0.36 3.79 1.35 -1.88 -2.82 112.91 120.27 1va1 h THR 551 Ca -0.29 -1.79 0.10 0.00 -0.55 0.00 0.00 66.41 63.88 1va1 h THR 551 Cb 1.15 1.92 -0.01 0.00 -1.73 0.00 0.00 68.15 69.47 1va1 h THR 551 CO 0.25 0.52 0.32 0.28 -0.25 0.00 0.00 175.52 176.64 1va1 h SER 552 N 0.09 0.00 1.02 5.36 0.02 -2.00 0.56 113.55 118.60 1va1 h SER 552 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1va1 h SER 552 Cb 0.95 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.47 1va1 h SER 552 CO 0.07 0.00 -0.55 -0.74 -1.14 0.00 0.00 176.83 174.48 1va1 h HIS 553 N 0.00 0.00 -0.30 3.45 6.17 -1.93 -3.11 115.15 119.42 1va1 h HIS 553 Ca 0.17 0.00 -0.12 0.00 0.71 0.00 0.00 60.37 61.14 1va1 h HIS 553 Cb 0.80 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.72 1va1 h HIS 553 CO 0.00 0.55 -0.29 1.25 0.71 0.00 0.00 177.93 180.15 1va1 h LEU 554 N 0.00 0.64 -0.79 0.26 5.85 0.03 -0.24 115.31 121.06 1va1 h LEU 554 Ca -0.01 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.40 1va1 h LEU 554 Cb 1.20 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1va1 h LEU 554 CO 0.07 0.90 0.09 0.08 -0.34 0.00 0.00 178.44 179.24 1va1 h ARG 555 N 0.54 1.01 0.01 1.25 0.11 -1.43 0.56 114.38 116.43 1va1 h ARG 555 Ca 0.07 -0.26 -0.22 0.00 0.10 0.00 0.00 59.98 59.67 1va1 h ARG 555 Cb 0.77 -0.12 -0.00 0.00 1.11 0.00 0.00 29.97 31.72 1va1 h ARG 555 CO 0.06 0.93 -0.95 0.00 0.10 0.00 0.00 179.97 180.11 1va1 h ALA 556 N 1.15 0.38 -0.00 0.08 0.00 -1.53 -3.08 119.26 116.26 1va1 h ALA 556 Ca 0.19 -0.73 -0.18 0.00 0.00 0.00 0.00 54.91 54.19 1va1 h ALA 556 Cb 0.42 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1va1 h ALA 556 CO 0.01 0.86 -0.81 1.25 0.00 0.00 0.00 179.25 180.56 1va1 h HIS 557 N 0.18 0.16 -0.52 0.00 -0.00 -0.79 -3.24 115.15 110.94 1va1 h HIS 557 Ca -0.08 -0.08 -0.05 0.00 -0.00 0.00 0.00 60.37 60.16 1va1 h HIS 557 Cb 1.60 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 28.96 1va1 h HIS 557 CO 0.05 0.87 0.13 -0.07 -0.00 0.00 0.00 177.93 178.91 1va1 h LEU 558 N 0.06 0.79 -2.02 0.26 3.38 0.11 -2.46 115.31 115.43 1va1 h LEU 558 Ca -0.02 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.74 1va1 h LEU 558 Cb 1.41 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 1va1 h LEU 558 CO 0.12 0.81 0.06 0.08 0.09 0.00 0.00 178.44 179.60 1va1 h ARG 559 N 0.73 0.00 -0.25 1.13 0.11 -1.56 -1.96 114.38 112.59 1va1 h ARG 559 Ca 0.16 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.18 1va1 h ARG 559 Cb 0.33 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.40 1va1 h ARG 559 CO 0.00 0.00 -0.11 2.35 0.10 0.00 0.00 179.97 182.32 1va1 h TRP 560 N 0.00 0.58 -0.77 4.08 2.91 -1.49 -3.07 115.95 118.18 1va1 h TRP 560 Ca 0.04 -0.14 0.02 0.00 1.13 0.00 0.00 58.89 59.94 1va1 h TRP 560 Cb 0.15 -0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 28.63 1va1 h TRP 560 CO 0.00 0.76 0.51 0.45 -1.03 0.00 0.00 178.44 179.13 1va1 h HIS 561 N 0.23 0.95 -3.60 2.65 3.86 -1.21 -3.37 115.15 114.67 1va1 h HIS 561 Ca 0.06 0.02 -0.68 0.00 -1.16 0.00 0.00 60.37 58.61 1va1 h HIS 561 Cb 0.60 -0.32 -0.36 0.00 1.06 0.00 0.00 27.41 28.39 1va1 h HIS 561 CO 0.06 0.58 -0.63 0.95 0.86 0.00 0.00 177.93 179.75 1va1 s THR 562 N -5.85 2.89 0.00 2.45 -4.23 -1.02 -4.83 115.64 105.05 1va1 s THR 562 Ca -0.11 -2.06 0.00 0.00 -1.18 0.00 0.00 61.69 58.34 1va1 s THR 562 Cb 0.18 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 71.05 1va1 s THR 562 CO 0.78 -0.57 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 1va1 n GLY 563 N 4.48 0.72 1.54 3.99 0.00 -1.25 -4.71 105.19 109.96 1va1 n GLY 563 Ca -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 0.00 1.61 4.71 -1.26 -4.80 120.64 120.90 1va1 n GLU 564 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1va1 n GLU 564 Cb 0.00 -0.24 0.00 0.00 -1.01 0.00 0.00 31.44 30.19 1va1 n GLU 564 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76