#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 0.41 -1.25 6.12 5.19 -2.14 -3.43 116.42 121.31 1va1 h ASP 530 Ca 0.00 -0.62 -0.66 0.00 -0.62 0.00 0.00 57.03 55.13 1va1 h ASP 530 Cb 0.00 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 1va1 h ASP 530 CO 0.00 0.96 1.43 -2.65 -3.12 0.00 0.00 179.24 175.86 1va1 n PRO 531 N -4.43 1.23 0.00 3.56 -0.02 -1.26 -4.88 135.00 129.20 1va1 n PRO 531 Ca -0.08 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1va1 n PRO 531 Cb 0.49 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 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 6.40 2.17 3.93 -1.23 0.00 -1.26 -5.14 105.19 110.06 1va1 n GLY 532 Ca 0.39 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 46.11 1va1 n GLY 532 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1va1 s LYS 533 N 4.02 3.50 0.01 1.61 -0.14 -1.26 -5.11 119.74 122.38 1va1 s LYS 533 Ca 0.00 -0.22 0.07 0.00 -1.36 0.00 0.00 55.97 54.46 1va1 s LYS 533 Cb 0.00 -2.61 -0.03 0.00 -1.68 0.00 0.00 37.83 33.51 1va1 s LYS 533 CO 0.00 0.09 -0.19 0.21 -0.76 0.00 0.00 175.35 174.70 1va1 s LYS 534 N -4.34 2.16 -0.63 1.68 2.36 -1.26 -5.09 119.74 114.62 1va1 s LYS 534 Ca 0.42 -0.91 -0.16 0.00 -2.55 0.00 0.00 55.97 52.76 1va1 s LYS 534 Cb -0.10 -2.19 0.15 0.00 -1.05 0.00 0.00 37.83 34.64 1va1 s LYS 534 CO 0.37 0.56 0.62 0.15 1.55 0.00 0.00 175.35 178.61 1va1 s LYS 535 N -1.10 3.16 0.58 4.03 1.02 -1.26 -4.96 119.74 121.21 1va1 s LYS 535 Ca 0.13 -1.81 0.00 0.00 0.02 0.00 0.00 55.97 54.30 1va1 s LYS 535 Cb -0.10 -4.34 0.00 0.00 -0.52 0.00 0.00 37.83 32.86 1va1 s LYS 535 CO 0.03 -1.38 0.00 1.04 -0.92 0.00 0.00 175.35 174.12 1va1 n GLN 536 N 5.20 -3.34 -3.85 1.68 6.02 -1.26 -4.81 117.38 117.03 1va1 n GLN 536 Ca -0.06 2.64 -0.36 0.00 -0.01 0.00 0.00 57.00 59.21 1va1 n GLN 536 Cb 0.42 -3.94 -0.13 0.00 1.02 0.00 0.00 30.24 27.61 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 -3.90 3.15 -0.09 1.08 3.76 0.48 -4.95 115.29 114.82 1va1 s HIS 537 Ca 0.00 -1.36 -0.04 0.00 -0.15 0.00 0.00 55.06 53.50 1va1 s HIS 537 Cb 0.00 -2.17 -0.04 0.00 1.11 0.00 0.00 32.58 31.48 1va1 s HIS 537 CO 0.00 -0.68 0.10 0.42 -0.85 0.00 0.00 174.74 173.72 1va1 s ILE 538 N 1.39 5.07 -0.70 0.60 1.09 -1.26 -3.23 121.20 124.15 1va1 s ILE 538 Ca -0.00 -0.02 -0.26 0.00 -1.10 0.00 0.00 60.65 59.27 1va1 s ILE 538 Cb -0.18 -3.21 -0.08 0.00 -1.06 0.00 0.00 42.46 37.93 1va1 s ILE 538 CO -0.00 0.56 2.20 0.00 -0.10 0.00 0.00 174.94 177.60 1va1 h HIS 540 N 14.63 0.00 -3.97 0.00 2.07 -1.95 -3.43 115.15 122.50 1va1 h HIS 540 Ca -0.09 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 56.91 1va1 h HIS 540 Cb 1.10 0.00 0.08 0.00 2.57 0.00 0.00 27.41 31.16 1va1 h HIS 540 CO 1.10 0.00 0.55 0.42 -3.07 0.00 0.00 177.93 176.93 1va1 s ILE 541 N -4.82 2.82 -1.10 6.12 1.09 -1.26 -4.88 121.20 119.17 1va1 s ILE 541 Ca -0.05 0.67 -0.13 0.00 -1.10 0.00 0.00 60.65 60.05 1va1 s ILE 541 Cb 0.16 -3.37 -0.07 0.00 -1.06 0.00 0.00 42.46 38.12 1va1 s ILE 541 CO 0.60 0.05 2.23 0.00 -0.10 0.00 0.00 174.94 177.72 1va1 n GLN 542 N -0.20 2.35 0.00 2.79 3.00 -1.26 -4.24 117.38 119.81 1va1 n GLN 542 Ca 0.06 -1.90 0.00 0.00 -0.01 0.00 0.00 57.00 55.14 1va1 n GLN 542 Cb 0.46 -2.79 0.00 0.00 0.00 0.00 0.00 30.24 27.90 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 4.01 0.08 0.00 1.08 0.00 -1.26 -5.15 105.19 103.95 1va1 n GLY 543 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 1.64 0.98 0.00 0.00 -1.26 -4.79 105.19 106.76 1va1 n GLY 545 Ca 0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.79 -0.07 -4.01 1.61 2.85 -1.26 -5.00 118.16 111.49 1va1 n LYS 546 Ca -0.04 -0.58 -0.15 0.00 -1.05 0.00 0.00 58.31 56.49 1va1 n LYS 546 Cb 0.85 -0.29 -0.15 0.00 -0.65 0.00 0.00 35.03 34.79 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 -1.36 0.23 -0.28 0.58 1.01 -1.26 -4.48 120.40 114.85 1va1 s VAL 547 Ca 0.18 -0.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 1va1 s VAL 547 Cb -0.01 -0.24 0.11 0.00 0.00 0.00 0.00 36.38 36.24 1va1 s VAL 547 CO 0.13 0.10 0.64 -0.72 0.00 0.00 0.00 175.10 175.24 1va1 s TYR 548 N 0.33 -1.20 -0.57 5.22 1.13 -1.20 -5.01 117.35 116.04 1va1 s TYR 548 Ca -0.03 2.19 -0.02 0.00 -1.41 0.00 0.00 57.07 57.80 1va1 s TYR 548 Cb -0.06 0.70 0.33 0.00 -1.10 0.00 0.00 41.96 41.84 1va1 s TYR 548 CO -0.01 -0.60 2.10 0.41 -2.51 0.00 0.00 175.55 174.94 1va1 n GLY 549 N 5.06 5.18 3.14 5.49 0.00 -1.26 -0.39 105.19 122.42 1va1 n GLY 549 Ca -0.15 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 43.81 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 -3.09 0.27 0.21 1.61 2.47 -1.26 -4.93 119.74 115.02 1va1 s LYS 550 Ca 0.53 0.74 -0.07 0.00 -1.56 0.00 0.00 55.97 55.61 1va1 s LYS 550 Cb 0.41 0.00 0.16 0.00 -1.46 0.00 0.00 37.83 36.95 1va1 s LYS 550 CO -0.09 -0.20 1.77 1.79 0.16 0.00 0.00 175.35 178.78 1va1 h THR 551 N 5.92 1.26 -0.51 3.43 1.35 -2.00 -2.21 112.91 120.15 1va1 h THR 551 Ca -0.29 -0.87 0.12 0.00 -0.55 0.00 0.00 66.41 64.82 1va1 h THR 551 Cb 1.15 0.38 -0.03 0.00 -1.73 0.00 0.00 68.15 67.92 1va1 h THR 551 CO 0.25 0.35 0.35 -1.28 -0.25 0.00 0.00 175.52 174.94 1va1 h SER 552 N 1.13 0.15 1.08 5.36 0.87 -2.00 0.33 113.55 120.47 1va1 h SER 552 Ca 0.25 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.71 1va1 h SER 552 Cb 0.26 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1va1 h SER 552 CO -0.01 0.09 -0.52 0.45 -0.53 0.00 0.00 176.83 176.30 1va1 h HIS 553 N 0.16 0.00 -0.32 2.24 3.86 -1.82 -3.07 115.15 116.19 1va1 h HIS 553 Ca 0.24 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.28 1va1 h HIS 553 Cb 0.73 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.20 1va1 h HIS 553 CO -0.00 0.52 -0.46 1.25 0.86 0.00 0.00 177.93 180.10 1va1 h LEU 554 N 0.00 0.93 -0.79 2.43 6.46 -0.17 -1.67 115.31 122.50 1va1 h LEU 554 Ca -0.01 -0.46 -0.08 0.00 -0.12 0.00 0.00 57.88 57.21 1va1 h LEU 554 Cb 1.20 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.85 1va1 h LEU 554 CO 0.07 1.24 -0.00 0.08 -0.62 0.00 0.00 178.44 179.21 1va1 h ARG 555 N 0.68 0.92 -0.12 1.25 0.11 -1.37 0.16 114.38 116.00 1va1 h ARG 555 Ca 0.04 -0.27 -0.15 0.00 0.10 0.00 0.00 59.98 59.70 1va1 h ARG 555 Cb 1.05 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 32.03 1va1 h ARG 555 CO 0.11 0.91 -0.57 0.00 0.10 0.00 0.00 179.97 180.52 1va1 h ALA 556 N 1.14 0.80 0.02 0.08 0.00 -1.46 -2.90 119.26 116.94 1va1 h ALA 556 Ca 0.16 -0.52 -0.21 0.00 0.00 0.00 0.00 54.91 54.33 1va1 h ALA 556 Cb 0.50 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1va1 h ALA 556 CO 0.02 0.70 -0.96 1.25 0.00 0.00 0.00 179.25 180.27 1va1 h HIS 557 N 0.28 0.31 -0.72 0.00 -0.00 -1.02 -3.27 115.15 110.74 1va1 h HIS 557 Ca 0.00 -0.19 -0.06 0.00 -0.00 0.00 0.00 60.37 60.13 1va1 h HIS 557 Cb 1.08 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 28.43 1va1 h HIS 557 CO 0.03 1.04 0.22 1.25 -0.00 0.00 0.00 177.93 180.47 1va1 h LEU 558 N 0.10 1.03 -2.00 0.26 7.12 -0.61 -2.38 115.31 118.83 1va1 h LEU 558 Ca -0.06 -0.19 0.02 0.00 0.13 0.00 0.00 57.88 57.79 1va1 h LEU 558 Cb 1.62 -0.27 -0.00 0.00 -0.53 0.00 0.00 40.66 41.47 1va1 h LEU 558 CO 0.15 0.96 0.06 0.08 -0.13 0.00 0.00 178.44 179.56 1va1 h ARG 559 N 1.06 0.00 -0.16 1.25 -0.00 -1.56 -1.09 114.38 113.88 1va1 h ARG 559 Ca 0.23 0.00 -0.16 0.00 -0.00 0.00 0.00 59.98 60.06 1va1 h ARG 559 Cb 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.26 1va1 h ARG 559 CO -0.01 0.00 -0.55 2.35 -0.00 0.00 0.00 179.97 181.76 1va1 h TRP 560 N 0.00 0.60 -0.13 4.08 -0.00 -1.53 -3.23 115.95 115.74 1va1 h TRP 560 Ca 0.04 -0.21 -0.09 0.00 -0.00 0.00 0.00 58.89 58.63 1va1 h TRP 560 Cb 0.16 -0.11 0.00 0.00 -0.00 0.00 0.00 29.16 29.21 1va1 h TRP 560 CO 0.00 0.92 -0.26 0.45 -0.00 0.00 0.00 178.44 179.56 1va1 h HIS 561 N 0.37 0.52 -2.30 2.65 3.86 -1.15 -3.40 115.15 115.69 1va1 h HIS 561 Ca 0.01 -0.19 -0.53 0.00 -1.16 0.00 0.00 60.37 58.50 1va1 h HIS 561 Cb 1.08 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 29.42 1va1 h HIS 561 CO 0.04 0.88 1.30 0.95 0.86 0.00 0.00 177.93 181.96 1va1 s THR 562 N -4.02 3.45 0.00 2.45 -4.23 -0.75 -3.97 115.64 108.56 1va1 s THR 562 Ca -0.14 0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 1va1 s THR 562 Cb 0.05 -3.91 0.00 0.00 1.34 0.00 0.00 72.50 69.98 1va1 s THR 562 CO 0.78 -0.78 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 1va1 n GLY 563 N 5.56 -0.84 0.08 3.99 0.00 -1.26 -4.91 105.19 107.81 1va1 n GLY 563 Ca 0.20 -0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.40 1.38 0.00 1.61 1.02 -1.26 -4.96 120.64 118.04 1va1 n GLU 564 Ca 0.00 0.02 0.05 0.00 -0.02 0.00 0.00 57.16 57.20 1va1 n GLU 564 Cb 0.00 -1.37 0.28 0.00 -0.02 0.00 0.00 31.44 30.33 1va1 n GLU 564 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18