#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 0.00 -0.01 7.83 5.19 -2.08 -3.40 116.42 123.96 1va1 h ASP 530 Ca 0.00 -0.51 0.03 0.00 -0.62 0.00 0.00 57.03 55.94 1va1 h ASP 530 Cb 0.00 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.46 1va1 h ASP 530 CO 0.00 1.10 -0.38 -0.65 -3.12 0.00 0.00 179.24 176.19 1va1 h PRO 531 N -1.00 -0.52 -5.58 3.56 0.11 -2.11 -3.43 132.00 123.03 1va1 h PRO 531 Ca -0.15 0.04 -0.50 0.00 0.11 0.00 0.00 66.00 65.49 1va1 h PRO 531 Cb 0.92 0.12 -0.26 0.00 0.11 0.00 0.00 31.00 31.89 1va1 h PRO 531 CO -0.09 -0.35 -0.82 0.20 -0.21 0.00 0.00 178.00 176.74 1va1 s GLY 532 N -2.48 0.87 -0.03 -0.55 0.00 -1.26 -5.14 107.32 98.73 1va1 s GLY 532 Ca -0.16 -0.84 0.03 0.00 0.00 0.00 0.00 44.72 43.75 1va1 s GLY 532 CO 0.64 -0.77 -0.12 0.54 0.00 0.00 0.00 173.10 173.40 1va1 s LYS 533 N -0.89 1.17 -0.22 2.90 1.02 -1.26 -3.15 119.74 119.30 1va1 s LYS 533 Ca 0.05 -0.40 -0.11 0.00 0.02 0.00 0.00 55.97 55.53 1va1 s LYS 533 Cb -0.07 -1.07 -0.05 0.00 -0.52 0.00 0.00 37.83 36.12 1va1 s LYS 533 CO 0.01 0.17 0.18 0.15 -0.92 0.00 0.00 175.35 174.93 1va1 s LYS 534 N 0.08 4.11 -0.12 1.68 1.02 -1.26 -4.79 119.74 120.46 1va1 s LYS 534 Ca -0.02 -0.21 -0.09 0.00 0.02 0.00 0.00 55.97 55.67 1va1 s LYS 534 Cb -0.09 -3.51 0.03 0.00 -0.52 0.00 0.00 37.83 33.75 1va1 s LYS 534 CO 0.01 0.11 0.18 1.17 -0.92 0.00 0.00 175.35 175.90 1va1 n LYS 535 N 4.10 -4.82 -4.41 1.68 4.81 -1.26 -5.03 118.16 113.23 1va1 n LYS 535 Ca -0.15 3.58 -0.31 0.00 -0.87 0.00 0.00 58.31 60.56 1va1 n LYS 535 Cb 0.52 -4.98 -0.10 0.00 0.02 0.00 0.00 35.03 30.49 1va1 n LYS 535 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1va1 s GLN 536 N -0.66 2.37 -0.31 1.64 -0.21 -1.26 -5.01 119.66 116.22 1va1 s GLN 536 Ca -0.20 -0.85 -0.20 0.00 0.02 0.00 0.00 55.36 54.13 1va1 s GLN 536 Cb 0.01 -2.41 -0.01 0.00 1.00 0.00 0.00 33.01 31.61 1va1 s GLN 536 CO 0.55 0.56 0.63 -1.01 -2.12 0.00 0.00 175.29 173.90 1va1 s HIS 537 N -1.06 3.21 0.12 0.91 3.76 -1.10 -5.03 115.29 116.10 1va1 s HIS 537 Ca 0.18 0.58 0.10 0.00 -0.15 0.00 0.00 55.06 55.77 1va1 s HIS 537 Cb -0.11 -3.00 -0.04 0.00 1.11 0.00 0.00 32.58 30.55 1va1 s HIS 537 CO 0.09 -0.48 -0.26 0.42 -0.85 0.00 0.00 174.74 173.67 1va1 s ILE 538 N 2.61 2.13 -0.62 0.60 1.01 -1.26 -3.07 121.20 122.60 1va1 s ILE 538 Ca 0.25 -1.71 -0.26 0.00 0.00 0.00 0.00 60.65 58.93 1va1 s ILE 538 Cb -0.15 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 1va1 s ILE 538 CO 0.12 0.06 1.87 0.00 0.00 0.00 0.00 174.94 176.99 1va1 h HIS 540 N 14.84 0.00 -2.47 0.00 -0.00 -1.97 -3.42 115.15 122.14 1va1 h HIS 540 Ca -0.24 0.00 -0.53 0.00 -0.00 0.00 0.00 60.37 59.59 1va1 h HIS 540 Cb 1.16 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 28.58 1va1 h HIS 540 CO 1.05 0.00 1.17 0.42 -0.00 0.00 0.00 177.93 180.57 1va1 s ILE 541 N -5.05 3.11 -0.72 2.45 1.01 -1.26 -4.85 121.20 115.89 1va1 s ILE 541 Ca -0.05 0.23 -0.26 0.00 0.00 0.00 0.00 60.65 60.57 1va1 s ILE 541 Cb 0.18 -3.15 -0.13 0.00 0.01 0.00 0.00 42.46 39.37 1va1 s ILE 541 CO 0.68 -0.02 2.42 1.67 0.00 0.00 0.00 174.94 179.70 1va1 n GLN 542 N 7.12 0.67 0.00 2.79 0.00 -1.26 -3.22 117.38 123.47 1va1 n GLN 542 Ca 0.19 -0.65 0.00 0.00 -0.00 0.00 0.00 57.00 56.54 1va1 n GLN 542 Cb 0.41 -3.62 0.00 0.00 0.00 0.00 0.00 30.24 27.04 1va1 n GLN 542 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1va1 n GLY 543 N 6.61 -0.69 0.80 1.69 0.00 -1.26 -5.15 105.19 107.18 1va1 n GLY 543 Ca 0.45 0.31 -0.07 0.00 0.00 0.00 0.00 46.02 46.71 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 1.07 -0.54 0.72 0.00 0.00 -1.26 -4.95 105.19 100.23 1va1 n GLY 545 Ca 0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.08 0.75 -3.74 1.61 2.85 -1.26 -5.05 118.16 113.24 1va1 n LYS 546 Ca -0.02 -0.55 -0.12 0.00 -1.05 0.00 0.00 58.31 56.56 1va1 n LYS 546 Cb 0.42 -0.08 -0.11 0.00 -0.65 0.00 0.00 35.03 34.61 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 0.05 -0.01 -0.08 0.58 1.01 -1.26 -4.51 120.40 116.18 1va1 s VAL 547 Ca 0.12 0.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 1va1 s VAL 547 Cb -0.01 -0.49 0.03 0.00 0.00 0.00 0.00 36.38 35.91 1va1 s VAL 547 CO 0.08 0.02 0.30 -0.72 0.00 0.00 0.00 175.10 174.77 1va1 s TYR 548 N 0.60 -0.27 -0.45 5.22 -0.85 -1.18 -5.05 117.35 115.37 1va1 s TYR 548 Ca -0.03 0.61 0.04 0.00 -0.52 0.00 0.00 57.07 57.16 1va1 s TYR 548 Cb -0.05 0.10 0.57 0.00 0.38 0.00 0.00 41.96 42.96 1va1 s TYR 548 CO -0.04 -0.23 1.79 0.41 -1.52 0.00 0.00 175.55 175.96 1va1 n GLY 549 N 2.38 5.05 3.15 5.49 0.00 -1.26 -2.71 105.19 117.29 1va1 n GLY 549 Ca -0.16 -1.51 -0.11 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.43 0.27 0.45 1.61 3.01 -1.26 -5.03 119.74 115.35 1va1 s LYS 550 Ca 0.56 0.74 0.10 0.00 -1.01 0.00 0.00 55.97 56.36 1va1 s LYS 550 Cb 0.47 0.00 0.99 0.00 -1.01 0.00 0.00 37.83 38.28 1va1 s LYS 550 CO 0.05 -0.20 2.09 1.15 0.51 0.00 0.00 175.35 178.94 1va1 h THR 551 N 5.92 1.07 -0.43 2.17 2.02 -2.00 -1.00 112.91 120.65 1va1 h THR 551 Ca -0.29 -0.13 0.12 0.00 0.77 0.00 0.00 66.41 66.87 1va1 h THR 551 Cb 1.15 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1va1 h THR 551 CO 0.25 0.07 0.31 0.28 0.37 0.00 0.00 175.52 176.80 1va1 h SER 552 N 0.38 0.05 0.60 4.18 0.02 -1.99 0.27 113.55 117.05 1va1 h SER 552 Ca 0.11 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.86 1va1 h SER 552 Cb -0.02 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1va1 h SER 552 CO -0.02 0.03 -0.88 0.45 -1.14 0.00 0.00 176.83 175.26 1va1 h HIS 553 N 0.05 0.28 -0.34 3.45 3.86 -1.61 -2.09 115.15 118.76 1va1 h HIS 553 Ca 0.20 -0.16 -0.14 0.00 -1.16 0.00 0.00 60.37 59.12 1va1 h HIS 553 Cb 0.75 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.18 1va1 h HIS 553 CO -0.00 0.97 -0.32 1.25 0.86 0.00 0.00 177.93 180.70 1va1 h LEU 554 N 0.10 0.87 -0.50 2.43 5.85 -0.50 0.29 115.31 123.86 1va1 h LEU 554 Ca -0.04 -0.46 -0.13 0.00 0.84 0.00 0.00 57.88 58.09 1va1 h LEU 554 Cb 1.51 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1va1 h LEU 554 CO 0.13 1.15 -0.19 0.08 -0.34 0.00 0.00 178.44 179.28 1va1 h ARG 555 N 0.60 1.01 -0.02 1.25 0.11 -0.98 0.44 114.38 116.79 1va1 h ARG 555 Ca 0.06 -0.42 -0.18 0.00 0.10 0.00 0.00 59.98 59.54 1va1 h ARG 555 Cb 0.90 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.93 1va1 h ARG 555 CO 0.08 1.10 -0.77 0.00 0.10 0.00 0.00 179.97 180.48 1va1 h ALA 556 N 0.88 0.65 -0.00 0.08 0.00 -1.32 -3.13 119.26 116.42 1va1 h ALA 556 Ca 0.12 -0.66 -0.17 0.00 0.00 0.00 0.00 54.91 54.20 1va1 h ALA 556 Cb 0.77 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1va1 h ALA 556 CO 0.06 0.85 -0.79 1.25 0.00 0.00 0.00 179.25 180.62 1va1 h HIS 557 N 0.12 0.07 -0.52 0.00 -0.00 -0.27 -3.22 115.15 111.33 1va1 h HIS 557 Ca -0.03 -0.04 -0.08 0.00 -0.00 0.00 0.00 60.37 60.22 1va1 h HIS 557 Cb 1.36 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 28.74 1va1 h HIS 557 CO 0.02 0.82 -0.01 1.25 -0.00 0.00 0.00 177.93 180.01 1va1 h LEU 558 N 0.03 0.87 -2.02 0.26 5.85 -0.87 -2.56 115.31 116.86 1va1 h LEU 558 Ca -0.02 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.50 1va1 h LEU 558 Cb 1.40 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 1va1 h LEU 558 CO 0.11 0.94 0.06 0.08 -0.34 0.00 0.00 178.44 179.28 1va1 h ARG 559 N 0.82 0.00 -0.24 1.25 -0.00 -1.55 -1.85 114.38 112.81 1va1 h ARG 559 Ca 0.15 0.00 -0.10 0.00 -0.00 0.00 0.00 59.98 60.03 1va1 h ARG 559 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.47 1va1 h ARG 559 CO 0.03 0.00 -0.23 -1.49 -0.00 0.00 0.00 179.97 178.27 1va1 h TRP 560 N 0.00 0.70 -0.59 4.08 6.55 -1.56 -3.13 115.95 122.00 1va1 h TRP 560 Ca 0.04 -0.21 -0.04 0.00 0.95 0.00 0.00 58.89 59.63 1va1 h TRP 560 Cb 0.16 -0.15 -0.03 0.00 -0.86 0.00 0.00 29.16 28.28 1va1 h TRP 560 CO 0.00 0.91 0.22 0.45 -1.05 0.00 0.00 178.44 178.96 1va1 h HIS 561 N 0.29 0.87 -2.20 0.49 3.86 -1.31 -3.48 115.15 113.66 1va1 h HIS 561 Ca 0.04 -0.05 0.21 0.00 -1.16 0.00 0.00 60.37 59.41 1va1 h HIS 561 Cb 0.79 -0.26 -0.07 0.00 1.06 0.00 0.00 27.41 28.92 1va1 h HIS 561 CO 0.08 0.68 -0.45 -2.37 0.86 0.00 0.00 177.93 176.73 1va1 n THR 562 N -4.31 0.00 -1.55 2.45 5.66 -0.87 -4.33 114.28 111.32 1va1 n THR 562 Ca 0.05 0.20 -0.38 0.00 -3.05 0.00 0.00 64.05 60.86 1va1 n THR 562 Cb 0.18 -0.47 -0.04 0.00 -1.55 0.00 0.00 70.33 68.44 1va1 n THR 562 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1va1 n GLY 563 N -3.10 0.31 3.71 1.09 0.00 -1.26 -4.92 105.19 101.03 1va1 n GLY 563 Ca -0.01 0.73 -0.42 0.00 0.00 0.00 0.00 46.02 46.31 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 7.86 4.56 0.00 1.61 0.41 -1.26 -5.27 118.70 126.61 1va1 s GLU 564 Ca 1.02 1.46 0.00 0.00 -0.41 0.00 0.00 54.97 57.04 1va1 s GLU 564 Cb -0.31 -3.44 0.00 0.00 -1.78 0.00 0.00 34.13 28.59 1va1 s GLU 564 CO 0.31 -0.05 0.00 0.54 -0.49 0.00 0.00 175.26 175.56