#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va1 s ASP 530 N 0.00 6.60 0.45 7.83 -1.08 -1.26 -4.90 116.67 124.31 1va1 s ASP 530 Ca 0.00 1.05 0.20 0.00 -0.52 0.00 0.00 52.55 53.28 1va1 s ASP 530 Cb 0.00 -2.54 1.17 0.00 -1.46 0.00 0.00 42.92 40.09 1va1 s ASP 530 CO 0.00 -1.17 1.90 -0.65 0.52 0.00 0.00 175.17 175.77 1va1 h PRO 531 N 9.59 0.29 0.00 4.34 0.11 -2.14 -3.47 132.00 140.71 1va1 h PRO 531 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1va1 h PRO 531 Cb 1.10 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1va1 h PRO 531 CO 1.05 0.19 0.00 0.41 -0.21 0.00 0.00 178.00 179.44 1va1 n GLY 532 N -1.56 0.87 3.32 -0.55 0.00 -1.26 -5.09 105.19 100.91 1va1 n GLY 532 Ca 0.16 -1.98 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.55 1.87 -0.03 1.61 2.20 -1.26 -5.14 119.74 117.44 1va1 s LYS 533 Ca 0.00 -1.03 0.06 0.00 -0.36 0.00 0.00 55.97 54.65 1va1 s LYS 533 Cb 0.00 -1.95 -0.01 0.00 -1.51 0.00 0.00 37.83 34.35 1va1 s LYS 533 CO 0.00 0.52 -0.22 0.21 -0.36 0.00 0.00 175.35 175.50 1va1 s LYS 534 N -1.00 1.95 -0.27 4.03 2.36 -1.26 -5.10 119.74 120.45 1va1 s LYS 534 Ca 0.11 -0.77 -0.29 0.00 -2.55 0.00 0.00 55.97 52.46 1va1 s LYS 534 Cb -0.10 -1.78 0.01 0.00 -1.05 0.00 0.00 37.83 34.91 1va1 s LYS 534 CO 0.01 0.41 1.14 0.21 1.55 0.00 0.00 175.35 178.66 1va1 s LYS 535 N -0.32 4.11 0.04 4.03 2.20 -1.26 -5.02 119.74 123.53 1va1 s LYS 535 Ca 0.03 1.27 0.03 0.00 -0.36 0.00 0.00 55.97 56.95 1va1 s LYS 535 Cb -0.10 -3.74 -0.02 0.00 -1.51 0.00 0.00 37.83 32.45 1va1 s LYS 535 CO 0.01 -0.84 -0.10 -0.65 -0.36 0.00 0.00 175.35 173.40 1va1 s GLN 536 N 3.61 0.66 -0.25 4.03 -0.21 -1.26 -5.14 119.66 121.10 1va1 s GLN 536 Ca 0.49 -0.75 -0.07 0.00 0.02 0.00 0.00 55.36 55.04 1va1 s GLN 536 Cb -0.15 -0.55 -0.03 0.00 1.00 0.00 0.00 33.01 33.28 1va1 s GLN 536 CO 0.14 0.12 0.08 -1.01 -2.12 0.00 0.00 175.29 172.50 1va1 s HIS 537 N -1.14 3.09 0.13 0.91 3.76 -1.26 -5.09 115.29 115.70 1va1 s HIS 537 Ca -0.05 -0.43 0.05 0.00 -0.15 0.00 0.00 55.06 54.48 1va1 s HIS 537 Cb -0.09 -2.25 -0.04 0.00 1.11 0.00 0.00 32.58 31.32 1va1 s HIS 537 CO 0.01 -0.36 -0.11 0.42 -0.85 0.00 0.00 174.74 173.84 1va1 s ILE 538 N 1.62 1.20 -0.32 0.60 -1.09 -1.26 -3.81 121.20 118.14 1va1 s ILE 538 Ca 0.06 -1.90 -0.28 0.00 -2.23 0.00 0.00 60.65 56.30 1va1 s ILE 538 Cb -0.15 -1.69 -0.02 0.00 -1.58 0.00 0.00 42.46 39.02 1va1 s ILE 538 CO 0.04 -0.62 1.86 0.00 -1.23 0.00 0.00 174.94 175.00 1va1 h HIS 540 N 13.25 0.00 -3.76 0.00 3.86 -1.98 -3.42 115.15 123.10 1va1 h HIS 540 Ca -0.35 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.38 1va1 h HIS 540 Cb 1.18 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.62 1va1 h HIS 540 CO 0.96 0.00 0.22 0.42 0.86 0.00 0.00 177.93 180.39 1va1 s ILE 541 N -4.81 4.43 -1.44 2.45 1.01 -1.26 -4.95 121.20 116.63 1va1 s ILE 541 Ca -0.05 1.46 -0.10 0.00 0.00 0.00 0.00 60.65 61.97 1va1 s ILE 541 Cb 0.16 -3.85 -0.07 0.00 0.01 0.00 0.00 42.46 38.71 1va1 s ILE 541 CO 0.61 0.07 2.69 1.67 0.00 0.00 0.00 174.94 179.98 1va1 n GLN 542 N 0.37 3.23 0.00 2.79 7.27 -1.26 -4.30 117.38 125.48 1va1 n GLN 542 Ca 0.01 -2.07 0.00 0.00 0.07 0.00 0.00 57.00 55.01 1va1 n GLN 542 Cb 0.51 -2.78 0.00 0.00 2.41 0.00 0.00 30.24 30.39 1va1 n GLN 542 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1va1 n GLY 543 N 3.69 0.13 0.00 1.69 0.00 -1.26 -5.14 105.19 104.30 1va1 n GLY 543 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 1.27 0.70 0.00 0.00 -1.26 -4.66 105.19 106.23 1va1 n GLY 545 Ca 0.00 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.15 -1.19 -3.82 1.61 2.85 -1.26 -4.90 118.16 111.30 1va1 n LYS 546 Ca -0.02 -0.35 -0.11 0.00 -1.05 0.00 0.00 58.31 56.78 1va1 n LYS 546 Cb 0.94 -0.31 -0.08 0.00 -0.65 0.00 0.00 35.03 34.93 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 -1.42 0.10 0.04 0.58 1.01 -1.26 -4.27 120.40 115.17 1va1 s VAL 547 Ca 0.14 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 1va1 s VAL 547 Cb -0.01 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 1va1 s VAL 547 CO 0.11 -0.45 0.12 -0.72 0.00 0.00 0.00 175.10 174.16 1va1 s TYR 548 N -2.50 0.16 0.01 5.22 1.13 -1.25 -5.07 117.35 115.05 1va1 s TYR 548 Ca -0.05 -0.45 -0.13 0.00 -1.41 0.00 0.00 57.07 55.03 1va1 s TYR 548 Cb -0.01 -0.11 -0.07 0.00 -1.10 0.00 0.00 41.96 40.67 1va1 s TYR 548 CO -0.03 -0.39 0.97 0.78 -2.51 0.00 0.00 175.55 174.37 1va1 h GLY 549 N 3.58 -0.48 -2.35 5.49 0.00 -2.00 -3.39 103.07 103.93 1va1 h GLY 549 Ca -0.32 0.18 -0.55 0.00 0.00 0.00 0.00 47.33 46.64 1va1 h GLY 549 CO 0.50 -0.17 -0.55 1.25 0.00 0.00 0.00 176.54 177.56 1va1 s LYS 550 N -3.61 2.37 0.56 4.80 2.47 -1.26 -4.89 119.74 120.19 1va1 s LYS 550 Ca -0.07 -1.52 0.27 0.00 -1.56 0.00 0.00 55.97 53.09 1va1 s LYS 550 Cb 0.01 -2.18 1.64 0.00 -1.46 0.00 0.00 37.83 35.84 1va1 s LYS 550 CO 0.20 0.15 2.19 1.15 0.16 0.00 0.00 175.35 179.21 1va1 h THR 551 N 1.60 0.63 -0.37 3.43 2.02 -2.02 -1.82 112.91 116.37 1va1 h THR 551 Ca -0.44 -0.14 0.11 0.00 0.77 0.00 0.00 66.41 66.71 1va1 h THR 551 Cb 1.25 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 1va1 h THR 551 CO 0.63 0.03 0.33 -1.28 0.37 0.00 0.00 175.52 175.60 1va1 h SER 552 N 0.00 0.00 0.92 4.18 0.87 -2.00 0.32 113.55 117.84 1va1 h SER 552 Ca -0.00 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.43 1va1 h SER 552 Cb 0.09 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.03 1va1 h SER 552 CO 0.00 0.00 -0.63 0.45 -0.53 0.00 0.00 176.83 176.13 1va1 h HIS 553 N 0.00 0.00 -0.86 2.24 3.86 -1.74 -3.20 115.15 115.45 1va1 h HIS 553 Ca 0.18 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.46 1va1 h HIS 553 Cb 0.83 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.23 1va1 h HIS 553 CO 0.00 0.63 0.52 1.25 0.86 0.00 0.00 177.93 181.19 1va1 h LEU 554 N 0.00 0.81 -0.01 2.43 5.85 -0.48 -1.95 115.31 121.96 1va1 h LEU 554 Ca -0.01 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1va1 h LEU 554 Cb 1.26 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1va1 h LEU 554 CO 0.08 0.51 -0.11 -0.09 -0.34 0.00 0.00 178.44 178.48 1va1 h ARG 555 N 0.94 -0.18 -0.38 1.25 2.43 -1.57 0.69 114.38 117.56 1va1 h ARG 555 Ca 0.38 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.61 1va1 h ARG 555 Cb 0.21 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1va1 h ARG 555 CO -0.19 -0.12 0.25 0.00 -1.51 0.00 0.00 179.97 178.40 1va1 h ALA 556 N 0.79 1.92 0.18 2.80 0.00 -1.56 -1.14 119.26 122.26 1va1 h ALA 556 Ca 0.05 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.63 1va1 h ALA 556 Cb 0.25 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 17.98 1va1 h ALA 556 CO -0.12 0.02 -1.35 1.25 0.00 0.00 0.00 179.25 179.04 1va1 h HIS 557 N 0.34 0.93 -0.64 0.00 -0.00 -0.56 -3.27 115.15 111.95 1va1 h HIS 557 Ca 0.16 -0.64 -0.01 0.00 -0.00 0.00 0.00 60.37 59.88 1va1 h HIS 557 Cb 0.21 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 27.53 1va1 h HIS 557 CO -0.00 1.49 0.35 1.25 -0.00 0.00 0.00 177.93 181.02 1va1 h LEU 558 N 0.19 0.81 -2.02 0.26 5.85 0.11 -2.02 115.31 118.49 1va1 h LEU 558 Ca -0.21 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.44 1va1 h LEU 558 Cb 2.04 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.86 1va1 h LEU 558 CO 0.25 0.67 0.06 0.08 -0.34 0.00 0.00 178.44 179.16 1va1 h ARG 559 N 0.88 0.00 -0.06 1.25 0.11 -1.33 -0.63 114.38 114.60 1va1 h ARG 559 Ca 0.23 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.17 1va1 h ARG 559 Cb 0.04 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.11 1va1 h ARG 559 CO -0.04 0.00 -0.56 -1.49 0.10 0.00 0.00 179.97 177.98 1va1 h TRP 560 N 0.00 0.22 -0.00 4.08 -0.00 -1.42 -2.99 115.95 115.84 1va1 h TRP 560 Ca 0.04 -0.08 -0.16 0.00 -0.00 0.00 0.00 58.89 58.69 1va1 h TRP 560 Cb 0.16 -0.04 -0.02 0.00 -0.00 0.00 0.00 29.16 29.26 1va1 h TRP 560 CO 0.00 0.70 -0.73 0.45 -0.00 0.00 0.00 178.44 178.86 1va1 h HIS 561 N 0.14 0.06 -0.89 0.49 3.86 -0.94 -3.11 115.15 114.75 1va1 h HIS 561 Ca -0.00 -0.03 -0.47 0.00 -1.16 0.00 0.00 60.37 58.71 1va1 h HIS 561 Cb 1.04 -0.01 -0.27 0.00 1.06 0.00 0.00 27.41 29.22 1va1 h HIS 561 CO 0.01 0.76 0.60 -2.37 0.86 0.00 0.00 177.93 177.79 1va1 n THR 562 N -3.69 3.00 0.00 2.45 5.66 -0.91 -4.73 114.28 116.05 1va1 n THR 562 Ca -0.01 -1.77 0.00 0.00 -3.05 0.00 0.00 64.05 59.22 1va1 n THR 562 Cb 0.71 -0.57 0.00 0.00 -1.55 0.00 0.00 70.33 68.92 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 -0.95 0.92 5.14 1.09 0.00 -1.16 -5.01 105.19 105.22 1va1 n GLY 563 Ca 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 1.02 -1.24 -5.12 120.64 116.92 1va1 n GLU 564 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1va1 n GLU 564 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1va1 n GLU 564 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18