#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 -0.35 -1.74 6.12 3.32 -2.12 -3.44 116.42 118.21 1va1 h ASP 530 Ca 0.00 0.02 -0.16 0.00 0.02 0.00 0.00 57.03 56.91 1va1 h ASP 530 Cb 0.00 0.10 0.09 0.00 0.22 0.00 0.00 39.33 39.74 1va1 h ASP 530 CO 0.00 -0.23 -0.08 -2.65 -1.72 0.00 0.00 179.24 174.56 1va1 n PRO 531 N -5.26 -1.50 -1.63 3.56 -0.02 -1.26 -4.26 135.00 124.63 1va1 n PRO 531 Ca -0.09 -0.64 -0.05 0.00 -2.02 0.00 0.00 63.50 60.70 1va1 n PRO 531 Cb 0.18 -1.18 -0.01 0.00 -0.02 0.00 0.00 33.50 32.46 1va1 n PRO 531 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1va1 n GLY 532 N -1.50 0.46 3.87 -1.23 0.00 -1.26 -5.03 105.19 100.50 1va1 n GLY 532 Ca 0.06 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.36 1.67 -0.33 1.61 2.20 -1.26 -5.02 119.74 115.25 1va1 s LYS 533 Ca 0.00 0.13 -0.20 0.00 -0.36 0.00 0.00 55.97 55.54 1va1 s LYS 533 Cb 0.00 -1.91 -0.00 0.00 -1.51 0.00 0.00 37.83 34.40 1va1 s LYS 533 CO 0.00 -1.80 0.61 0.15 -0.36 0.00 0.00 175.35 173.95 1va1 s LYS 534 N -5.52 3.79 0.00 4.03 3.01 -1.26 -5.03 119.74 118.77 1va1 s LYS 534 Ca 0.63 0.15 0.00 0.00 -1.01 0.00 0.00 55.97 55.74 1va1 s LYS 534 Cb -0.12 -3.76 0.00 0.00 -1.01 0.00 0.00 37.83 32.94 1va1 s LYS 534 CO 0.50 -0.63 0.00 1.63 0.51 0.00 0.00 175.35 177.36 1va1 n LYS 535 N 5.91 0.00 -0.61 1.68 4.01 -1.26 -5.05 118.16 122.84 1va1 n LYS 535 Ca -0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 1va1 n LYS 535 Cb 0.49 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.01 1va1 n LYS 535 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1va1 n GLN 536 N 0.00 0.00 -3.05 1.97 6.02 -1.24 -4.99 117.38 116.09 1va1 n GLN 536 Ca 0.00 0.36 -0.42 0.00 -0.01 0.00 0.00 57.00 56.94 1va1 n GLN 536 Cb 0.00 -0.25 -0.06 0.00 1.02 0.00 0.00 30.24 30.95 1va1 n GLN 536 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1va1 s HIS 537 N 0.00 3.17 -0.20 1.08 3.76 0.10 -4.83 115.29 118.37 1va1 s HIS 537 Ca 0.00 0.56 -0.05 0.00 -0.15 0.00 0.00 55.06 55.42 1va1 s HIS 537 Cb 0.00 -3.16 -0.02 0.00 1.11 0.00 0.00 32.58 30.51 1va1 s HIS 537 CO 0.00 -0.59 -0.01 0.42 -0.85 0.00 0.00 174.74 173.71 1va1 s ILE 538 N 2.81 3.86 -0.62 0.60 1.01 -1.26 -3.00 121.20 124.59 1va1 s ILE 538 Ca 0.28 -0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.30 1va1 s ILE 538 Cb -0.14 -2.74 -0.12 0.00 0.01 0.00 0.00 42.46 39.47 1va1 s ILE 538 CO 0.14 0.43 2.47 0.00 0.00 0.00 0.00 174.94 177.98 1va1 h HIS 540 N 16.41 0.09 -2.74 0.00 3.86 -1.96 -3.42 115.15 127.39 1va1 h HIS 540 Ca -0.19 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.49 1va1 h HIS 540 Cb 1.29 -0.03 0.03 0.00 1.06 0.00 0.00 27.41 29.76 1va1 h HIS 540 CO 1.00 0.05 0.95 0.42 0.86 0.00 0.00 177.93 181.21 1va1 s ILE 541 N -5.13 2.87 -0.39 2.45 1.01 -1.26 -4.88 121.20 115.88 1va1 s ILE 541 Ca -0.06 0.47 -0.27 0.00 0.00 0.00 0.00 60.65 60.80 1va1 s ILE 541 Cb 0.18 -3.30 -0.06 0.00 0.01 0.00 0.00 42.46 39.29 1va1 s ILE 541 CO 0.70 0.01 2.32 -1.58 0.00 0.00 0.00 174.94 176.40 1va1 s GLN 542 N 2.03 2.49 0.00 2.79 0.74 -1.26 -3.45 119.66 123.00 1va1 s GLN 542 Ca 0.72 1.62 0.00 0.00 0.05 0.00 0.00 55.36 57.75 1va1 s GLN 542 Cb -0.41 -4.50 0.00 0.00 1.10 0.00 0.00 33.01 29.20 1va1 s GLN 542 CO 0.32 -2.84 0.00 0.41 -0.55 0.00 0.00 175.29 172.63 1va1 n GLY 543 N 5.91 0.09 0.00 2.59 0.00 -1.26 -5.14 105.19 107.37 1va1 n GLY 543 Ca 0.34 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 1.77 0.00 0.00 0.00 0.00 -1.26 -4.88 105.19 100.81 1va1 n GLY 545 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.54 -3.67 1.61 2.85 -1.26 -4.96 118.16 113.27 1va1 n LYS 546 Ca 0.00 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.17 1va1 n LYS 546 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 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 0.06 -0.29 0.12 0.58 1.01 -1.24 -4.39 120.40 116.24 1va1 s VAL 547 Ca 0.00 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.14 1va1 s VAL 547 Cb 0.00 -0.69 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1va1 s VAL 547 CO 0.00 0.04 -0.13 -0.31 0.00 0.00 0.00 175.10 174.70 1va1 s TYR 548 N 1.93 1.33 -0.24 5.22 2.02 -1.16 -4.84 117.35 121.61 1va1 s TYR 548 Ca -0.07 -0.58 0.13 0.00 -0.37 0.00 0.00 57.07 56.18 1va1 s TYR 548 Cb -0.09 -0.70 0.55 0.00 -0.40 0.00 0.00 41.96 41.32 1va1 s TYR 548 CO -0.14 0.12 1.50 0.41 -1.57 0.00 0.00 175.55 175.87 1va1 n GLY 549 N 0.52 4.29 3.19 0.71 0.00 -1.26 0.00 105.19 112.63 1va1 n GLY 549 Ca -0.15 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.00 0.33 0.27 1.61 2.20 -1.26 -4.96 119.74 114.94 1va1 s LYS 550 Ca 0.45 0.59 0.07 0.00 -0.36 0.00 0.00 55.97 56.71 1va1 s LYS 550 Cb 0.38 0.03 0.37 0.00 -1.51 0.00 0.00 37.83 37.10 1va1 s LYS 550 CO 0.07 -0.12 1.64 1.15 -0.36 0.00 0.00 175.35 177.73 1va1 h THR 551 N 5.29 1.36 -0.39 3.43 2.02 -2.01 -2.93 112.91 119.68 1va1 h THR 551 Ca -0.34 -1.78 0.11 0.00 0.77 0.00 0.00 66.41 65.17 1va1 h THR 551 Cb 1.18 1.88 -0.02 0.00 -1.74 0.00 0.00 68.15 69.45 1va1 h THR 551 CO 0.32 0.52 0.28 0.28 0.37 0.00 0.00 175.52 177.30 1va1 h SER 552 N 0.15 0.00 0.83 4.18 0.02 -2.02 0.20 113.55 116.91 1va1 h SER 552 Ca 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1va1 h SER 552 Cb 0.97 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 1va1 h SER 552 CO 0.08 0.00 -0.73 0.45 -1.14 0.00 0.00 176.83 175.49 1va1 h HIS 553 N 0.00 0.00 -0.80 3.45 3.86 -1.95 -3.19 115.15 116.51 1va1 h HIS 553 Ca 0.18 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 1va1 h HIS 553 Cb 0.74 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.18 1va1 h HIS 553 CO 0.00 0.73 0.44 1.25 0.86 0.00 0.00 177.93 181.21 1va1 h LEU 554 N 0.00 1.00 -0.40 2.43 5.85 -0.66 -0.16 115.31 123.38 1va1 h LEU 554 Ca -0.01 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1va1 h LEU 554 Cb 1.34 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1va1 h LEU 554 CO 0.09 0.81 0.21 0.08 -0.34 0.00 0.00 178.44 179.29 1va1 h ARG 555 N 1.12 0.56 -0.21 1.25 0.11 -1.51 0.89 114.38 116.59 1va1 h ARG 555 Ca 0.28 -0.07 -0.10 0.00 0.10 0.00 0.00 59.98 60.19 1va1 h ARG 555 Cb 0.03 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 30.99 1va1 h ARG 555 CO -0.05 0.46 -0.32 0.00 0.10 0.00 0.00 179.97 180.17 1va1 h ALA 556 N 1.06 1.06 0.20 0.08 0.00 -1.53 -2.57 119.26 117.57 1va1 h ALA 556 Ca 0.14 -0.38 -0.31 0.00 0.00 0.00 0.00 54.91 54.36 1va1 h ALA 556 Cb 0.08 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 17.78 1va1 h ALA 556 CO -0.02 0.58 -1.39 1.25 0.00 0.00 0.00 179.25 179.67 1va1 h HIS 557 N 0.37 0.79 -0.78 0.00 -0.00 -0.71 -3.31 115.15 111.51 1va1 h HIS 557 Ca 0.05 -0.58 -0.00 0.00 -0.00 0.00 0.00 60.37 59.84 1va1 h HIS 557 Cb 0.75 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 28.09 1va1 h HIS 557 CO 0.02 1.45 0.47 1.25 -0.00 0.00 0.00 177.93 181.12 1va1 h LEU 558 N 0.12 0.94 -2.02 0.26 5.85 0.88 -1.82 115.31 119.52 1va1 h LEU 558 Ca -0.21 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.48 1va1 h LEU 558 Cb 2.09 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.88 1va1 h LEU 558 CO 0.25 0.73 0.07 0.08 -0.34 0.00 0.00 178.44 179.23 1va1 h ARG 559 N 1.07 0.00 -0.20 1.25 0.11 -1.56 -0.69 114.38 114.36 1va1 h ARG 559 Ca 0.28 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.23 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 -0.05 0.00 -0.41 2.35 0.10 0.00 0.00 179.97 181.96 1va1 h TRP 560 N 0.00 0.55 -0.07 4.08 2.91 -1.42 -3.20 115.95 118.81 1va1 h TRP 560 Ca 0.05 -0.16 -0.09 0.00 1.13 0.00 0.00 58.89 59.82 1va1 h TRP 560 Cb 0.19 -0.12 0.00 0.00 -0.51 0.00 0.00 29.16 28.73 1va1 h TRP 560 CO 0.00 0.80 -0.31 0.45 -1.03 0.00 0.00 178.44 178.35 1va1 h HIS 561 N 0.38 0.43 -1.55 2.65 3.86 -1.03 -3.35 115.15 116.54 1va1 h HIS 561 Ca 0.03 -0.19 -0.47 0.00 -1.16 0.00 0.00 60.37 58.59 1va1 h HIS 561 Cb 0.88 -0.07 0.01 0.00 1.06 0.00 0.00 27.41 29.29 1va1 h HIS 561 CO 0.03 0.92 1.64 0.25 0.86 0.00 0.00 177.93 181.63 1va1 n THR 562 N -4.44 -0.07 -0.73 2.45 -2.24 -0.73 -0.88 114.28 107.64 1va1 n THR 562 Ca -0.08 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 1va1 n THR 562 Cb 0.49 -2.70 0.00 0.00 -2.10 0.00 0.00 70.33 66.02 1va1 n THR 562 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1va1 n GLY 563 N 6.03 1.27 0.08 3.38 0.00 -1.26 -4.95 105.19 109.73 1va1 n GLY 563 Ca 0.38 -0.37 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 1va1 n GLY 563 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1va1 h GLU 564 N 0.00 0.06 0.00 1.61 4.81 -1.15 -3.52 114.58 116.39 1va1 h GLU 564 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1va1 h GLU 564 Cb 0.34 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1va1 h GLU 564 CO 0.00 0.98 0.00 0.54 -0.73 0.00 0.00 179.01 179.80