#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va1 h ASP 530 N 0.00 -0.60 -2.53 3.17 5.19 -2.09 -3.46 116.42 116.10 1va1 h ASP 530 Ca 0.00 0.02 -0.20 0.00 -0.62 0.00 0.00 57.03 56.23 1va1 h ASP 530 Cb 0.00 0.16 0.10 0.00 0.18 0.00 0.00 39.33 39.76 1va1 h ASP 530 CO 0.00 -0.22 0.09 -0.81 -3.12 0.00 0.00 179.24 175.17 1va1 n PRO 531 N -5.06 -1.80 0.00 3.56 -0.04 -1.26 -4.94 135.00 125.46 1va1 n PRO 531 Ca -0.09 -0.90 0.00 0.00 -0.04 0.00 0.00 63.50 62.47 1va1 n PRO 531 Cb 0.28 -0.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 1va1 n PRO 531 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1va1 n GLY 532 N -0.79 -1.94 3.74 0.55 0.00 -1.26 -4.88 105.19 100.60 1va1 n GLY 532 Ca 0.08 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 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 4.25 0.39 1.61 2.20 -1.26 -5.01 119.74 121.92 1va1 s LYS 533 Ca 0.00 2.33 -0.04 0.00 -0.36 0.00 0.00 55.97 57.90 1va1 s LYS 533 Cb 0.00 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 1va1 s LYS 533 CO 0.00 -0.46 0.67 0.15 -0.36 0.00 0.00 175.35 175.35 1va1 s LYS 534 N -0.20 3.58 -0.01 4.03 3.01 -1.26 -5.10 119.74 123.79 1va1 s LYS 534 Ca 0.61 0.06 0.04 0.00 -1.01 0.00 0.00 55.97 55.67 1va1 s LYS 534 Cb -0.43 -2.51 -0.01 0.00 -1.01 0.00 0.00 37.83 33.87 1va1 s LYS 534 CO 0.42 0.01 -0.12 0.21 0.51 0.00 0.00 175.35 176.38 1va1 s LYS 535 N -4.22 0.98 0.22 1.68 2.20 -1.26 -5.15 119.74 114.19 1va1 s LYS 535 Ca 0.45 -0.45 0.00 0.00 -0.36 0.00 0.00 55.97 55.62 1va1 s LYS 535 Cb -0.10 -0.95 -0.04 0.00 -1.51 0.00 0.00 37.83 35.23 1va1 s LYS 535 CO 0.37 0.26 0.40 -0.65 -0.36 0.00 0.00 175.35 175.37 1va1 s GLN 536 N -0.32 3.50 -0.55 4.03 1.11 -1.26 -5.04 119.66 121.12 1va1 s GLN 536 Ca 0.04 -0.41 -0.18 0.00 0.01 0.00 0.00 55.36 54.82 1va1 s GLN 536 Cb -0.05 -2.83 0.09 0.00 -1.01 0.00 0.00 33.01 29.21 1va1 s GLN 536 CO -0.00 0.38 0.64 -1.01 0.01 0.00 0.00 175.29 175.30 1va1 s HIS 537 N -1.94 3.05 0.05 0.91 3.76 -0.42 -4.96 115.29 115.74 1va1 s HIS 537 Ca 0.38 -0.88 0.05 0.00 -0.15 0.00 0.00 55.06 54.46 1va1 s HIS 537 Cb -0.11 -3.80 -0.04 0.00 1.11 0.00 0.00 32.58 29.75 1va1 s HIS 537 CO 0.30 -1.16 -0.09 0.42 -0.85 0.00 0.00 174.74 173.36 1va1 s ILE 538 N 2.48 3.48 -0.68 0.60 -1.09 -1.26 -0.31 121.20 124.42 1va1 s ILE 538 Ca 0.11 -1.02 -0.26 0.00 -2.23 0.00 0.00 60.65 57.25 1va1 s ILE 538 Cb -0.23 -2.56 -0.06 0.00 -1.58 0.00 0.00 42.46 38.03 1va1 s ILE 538 CO 0.07 0.26 2.09 0.00 -1.23 0.00 0.00 174.94 176.14 1va1 h HIS 540 N 14.90 0.04 -2.70 0.00 3.86 -1.96 -3.43 115.15 125.86 1va1 h HIS 540 Ca -0.13 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.55 1va1 h HIS 540 Cb 1.13 -0.01 0.05 0.00 1.06 0.00 0.00 27.41 29.64 1va1 h HIS 540 CO 1.08 0.02 0.99 0.42 0.86 0.00 0.00 177.93 181.30 1va1 s ILE 541 N -5.09 2.30 -0.37 2.45 1.09 -1.26 -4.88 121.20 115.44 1va1 s ILE 541 Ca -0.05 0.16 -0.27 0.00 -1.10 0.00 0.00 60.65 59.39 1va1 s ILE 541 Cb 0.17 -3.11 -0.04 0.00 -1.06 0.00 0.00 42.46 38.43 1va1 s ILE 541 CO 0.68 0.01 2.11 -1.58 -0.10 0.00 0.00 174.94 176.06 1va1 s GLN 542 N 1.40 2.86 0.00 2.79 0.74 -1.26 -3.38 119.66 122.80 1va1 s GLN 542 Ca 0.74 1.53 0.00 0.00 0.05 0.00 0.00 55.36 57.68 1va1 s GLN 542 Cb -0.47 -4.38 0.00 0.00 1.10 0.00 0.00 33.01 29.26 1va1 s GLN 542 CO 0.32 -2.42 0.00 0.41 -0.55 0.00 0.00 175.29 173.05 1va1 n GLY 543 N 5.73 1.35 0.00 2.59 0.00 -1.26 -5.14 105.19 108.45 1va1 n GLY 543 Ca 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 0.86 0.00 0.00 -1.26 -4.93 105.19 104.86 1va1 n GLY 545 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 0.69 -4.62 1.61 2.85 -1.26 -4.98 118.16 112.44 1va1 n LYS 546 Ca 0.00 -0.65 -0.22 0.00 -1.05 0.00 0.00 58.31 56.39 1va1 n LYS 546 Cb 0.00 -0.10 -0.15 0.00 -0.65 0.00 0.00 35.03 34.13 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 -0.14 1.10 0.06 0.58 1.01 -1.26 -4.23 120.40 117.52 1va1 s VAL 547 Ca 0.14 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.52 1va1 s VAL 547 Cb -0.01 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1va1 s VAL 547 CO 0.09 0.29 -0.07 -0.31 0.00 0.00 0.00 175.10 175.10 1va1 s TYR 548 N -0.36 0.72 -0.03 5.22 2.02 0.57 -4.99 117.35 120.50 1va1 s TYR 548 Ca 0.05 -0.72 0.03 0.00 -0.37 0.00 0.00 57.07 56.06 1va1 s TYR 548 Cb -0.05 -0.43 -0.04 0.00 -0.40 0.00 0.00 41.96 41.03 1va1 s TYR 548 CO -0.00 -0.14 0.02 0.41 -1.57 0.00 0.00 175.55 174.26 1va1 n GLY 549 N 0.74 -0.16 3.60 0.71 0.00 -1.26 -1.30 105.19 107.51 1va1 n GLY 549 Ca -0.18 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.10 3.10 0.28 1.61 2.47 -1.26 -4.89 119.74 118.95 1va1 s LYS 550 Ca -0.02 -0.48 0.08 0.00 -1.56 0.00 0.00 55.97 53.99 1va1 s LYS 550 Cb 0.01 -2.76 0.40 0.00 -1.46 0.00 0.00 37.83 34.02 1va1 s LYS 550 CO 0.13 0.56 1.65 1.15 0.16 0.00 0.00 175.35 179.01 1va1 h THR 551 N 4.46 1.36 -0.32 3.43 2.02 -2.01 -2.90 112.91 118.95 1va1 h THR 551 Ca -0.45 -1.78 0.08 0.00 0.77 0.00 0.00 66.41 65.03 1va1 h THR 551 Cb 1.18 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 69.48 1va1 h THR 551 CO 0.56 0.52 0.22 -1.28 0.37 0.00 0.00 175.52 175.92 1va1 h SER 552 N 0.12 0.06 0.82 4.18 0.87 -2.02 0.81 113.55 118.38 1va1 h SER 552 Ca 0.00 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 1va1 h SER 552 Cb 0.96 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.89 1va1 h SER 552 CO 0.08 0.04 -0.58 0.45 -0.53 0.00 0.00 176.83 176.28 1va1 h HIS 553 N 0.07 0.00 -0.56 2.24 3.86 -1.94 -3.20 115.15 115.62 1va1 h HIS 553 Ca 0.15 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.41 1va1 h HIS 553 Cb 0.50 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.92 1va1 h HIS 553 CO -0.00 0.58 0.30 1.25 0.86 0.00 0.00 177.93 180.92 1va1 h LEU 554 N 0.00 0.43 0.09 2.43 5.85 -0.89 0.11 115.31 123.32 1va1 h LEU 554 Ca -0.01 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1va1 h LEU 554 Cb 1.15 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1va1 h LEU 554 CO 0.08 0.29 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.28 1va1 h ARG 555 N 0.56 -0.21 -0.25 1.25 2.43 -1.55 0.91 114.38 117.53 1va1 h ARG 555 Ca 0.25 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 1va1 h ARG 555 Cb 0.15 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1va1 h ARG 555 CO -0.17 -0.14 0.10 0.00 -1.51 0.00 0.00 179.97 178.26 1va1 h ALA 556 N 0.68 1.72 0.08 2.80 0.00 -1.55 -1.94 119.26 121.05 1va1 h ALA 556 Ca 0.01 -0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.60 1va1 h ALA 556 Cb 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1va1 h ALA 556 CO -0.03 0.23 -1.14 1.25 0.00 0.00 0.00 179.25 179.56 1va1 h HIS 557 N 0.35 0.34 -0.64 0.00 -0.00 -0.35 -3.30 115.15 111.54 1va1 h HIS 557 Ca 0.09 -0.24 -0.07 0.00 -0.00 0.00 0.00 60.37 60.15 1va1 h HIS 557 Cb 0.07 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 27.44 1va1 h HIS 557 CO 0.00 1.18 0.14 1.25 -0.00 0.00 0.00 177.93 180.50 1va1 h LEU 558 N 0.06 0.97 -2.01 0.26 5.85 0.16 -2.42 115.31 118.17 1va1 h LEU 558 Ca -0.09 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.45 1va1 h LEU 558 Cb 1.88 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.65 1va1 h LEU 558 CO 0.18 0.95 0.06 0.08 -0.34 0.00 0.00 178.44 179.36 1va1 h ARG 559 N 0.97 0.00 -0.06 1.25 0.11 -1.47 -0.96 114.38 114.22 1va1 h ARG 559 Ca 0.20 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 60.11 1va1 h ARG 559 Cb 0.37 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.44 1va1 h ARG 559 CO 0.00 0.00 -0.72 2.35 0.10 0.00 0.00 179.97 181.70 1va1 h TRP 560 N 0.00 0.45 -0.11 4.08 7.01 -1.55 0.38 115.95 126.21 1va1 h TRP 560 Ca 0.04 -0.20 -0.08 0.00 2.11 0.00 0.00 58.89 60.76 1va1 h TRP 560 Cb 0.16 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.16 1va1 h TRP 560 CO 0.00 0.94 -0.25 0.45 -2.79 0.00 0.00 178.44 176.79 1va1 h HIS 561 N 0.22 0.46 0.05 2.65 3.86 -1.10 -3.33 115.15 117.97 1va1 h HIS 561 Ca -0.03 -0.17 -0.16 0.00 -1.16 0.00 0.00 60.37 58.85 1va1 h HIS 561 Cb 1.29 -0.08 0.02 0.00 1.06 0.00 0.00 27.41 29.69 1va1 h HIS 561 CO 0.04 0.87 -0.65 1.79 0.86 0.00 0.00 177.93 180.83 1va1 h THR 562 N -0.08 1.47 -0.38 2.45 1.35 -1.36 -3.38 112.91 112.99 1va1 h THR 562 Ca -0.00 -2.25 -0.63 0.00 -0.55 0.00 0.00 66.41 62.97 1va1 h THR 562 Cb 0.86 2.86 -0.04 0.00 -1.73 0.00 0.00 68.15 70.09 1va1 h THR 562 CO 0.06 0.64 2.37 0.61 -0.25 0.00 0.00 175.52 178.95 1va1 n GLY 563 N 1.31 2.97 0.93 5.82 0.00 0.13 -4.19 105.19 112.16 1va1 n GLY 563 Ca -0.12 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 7.39 0.00 0.00 1.61 -0.58 -1.26 -4.74 120.64 123.06 1va1 n GLU 564 Ca 0.49 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.23 1va1 n GLU 564 Cb 0.43 -0.46 0.00 0.00 -0.57 0.00 0.00 31.44 30.84 1va1 n GLU 564 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54