#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 5.99 0.86 3.17 1.11 -1.26 -5.09 116.67 121.45 1va1 s ASP 530 Ca 0.00 0.47 -0.11 0.00 0.18 0.00 0.00 52.55 53.09 1va1 s ASP 530 Cb 0.00 -1.79 0.11 0.00 1.07 0.00 0.00 42.92 42.31 1va1 s ASP 530 CO 0.00 -0.62 1.09 -2.16 1.18 0.00 0.00 175.17 174.66 1va1 s PRO 531 N -4.57 1.58 0.00 8.23 0.04 -1.26 -5.03 135.00 133.99 1va1 s PRO 531 Ca 0.47 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1va1 s PRO 531 Cb -0.10 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1va1 s PRO 531 CO 0.39 -2.05 0.00 0.41 0.04 0.00 0.00 177.00 175.80 1va1 n GLY 532 N -1.15 0.03 2.79 0.56 0.00 -1.26 -5.08 105.19 101.09 1va1 n GLY 532 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.79 0.90 0.04 1.61 2.20 -1.26 -5.13 119.74 117.32 1va1 s LYS 533 Ca 0.00 -0.39 -0.11 0.00 -0.36 0.00 0.00 55.97 55.11 1va1 s LYS 533 Cb 0.00 -1.91 0.01 0.00 -1.51 0.00 0.00 37.83 34.42 1va1 s LYS 533 CO 0.00 -0.53 0.24 0.21 -0.36 0.00 0.00 175.35 174.91 1va1 s LYS 534 N 1.79 0.73 -0.31 4.03 2.20 -1.26 -5.14 119.74 121.79 1va1 s LYS 534 Ca 0.00 -0.57 0.03 0.00 -0.36 0.00 0.00 55.97 55.08 1va1 s LYS 534 Cb -0.16 0.31 0.08 0.00 -1.51 0.00 0.00 37.83 36.55 1va1 s LYS 534 CO -0.07 -0.22 -0.01 0.15 -0.36 0.00 0.00 175.35 174.84 1va1 s LYS 535 N -2.50 1.73 -0.29 4.03 1.02 -1.26 -5.06 119.74 117.41 1va1 s LYS 535 Ca -0.05 -1.64 -0.17 0.00 0.02 0.00 0.00 55.97 54.13 1va1 s LYS 535 Cb -0.01 -3.04 0.17 0.00 -0.52 0.00 0.00 37.83 34.42 1va1 s LYS 535 CO -0.03 -0.80 1.10 -0.65 -0.92 0.00 0.00 175.35 174.05 1va1 s GLN 536 N 1.01 0.26 -0.50 1.68 -0.21 -1.26 -4.99 119.66 115.64 1va1 s GLN 536 Ca 0.03 0.43 -0.18 0.00 0.02 0.00 0.00 55.36 55.66 1va1 s GLN 536 Cb -0.19 0.06 0.07 0.00 1.00 0.00 0.00 33.01 33.95 1va1 s GLN 536 CO -0.07 -0.05 0.54 -1.01 -2.12 0.00 0.00 175.29 172.57 1va1 s HIS 537 N 1.12 3.13 0.00 0.91 3.76 -0.61 -5.01 115.29 118.59 1va1 s HIS 537 Ca -0.07 -0.75 -0.01 0.00 -0.15 0.00 0.00 55.06 54.08 1va1 s HIS 537 Cb -0.03 -3.44 -0.04 0.00 1.11 0.00 0.00 32.58 30.18 1va1 s HIS 537 CO -0.13 -0.96 0.10 0.42 -0.85 0.00 0.00 174.74 173.33 1va1 s ILE 538 N 2.21 4.88 -0.56 0.60 1.09 -1.26 -1.44 121.20 126.72 1va1 s ILE 538 Ca 0.10 -0.38 -0.26 0.00 -1.10 0.00 0.00 60.65 59.01 1va1 s ILE 538 Cb -0.22 -3.25 -0.07 0.00 -1.06 0.00 0.00 42.46 37.86 1va1 s ILE 538 CO 0.09 0.32 2.30 0.00 -0.10 0.00 0.00 174.94 177.56 1va1 h HIS 540 N 17.73 0.00 -4.10 0.00 3.86 -1.95 -3.42 115.15 127.26 1va1 h HIS 540 Ca -0.20 0.00 -0.48 0.00 -1.16 0.00 0.00 60.37 58.52 1va1 h HIS 540 Cb 1.21 0.00 0.05 0.00 1.06 0.00 0.00 27.41 29.73 1va1 h HIS 540 CO 1.01 0.00 0.40 0.42 0.86 0.00 0.00 177.93 180.62 1va1 s ILE 541 N -4.90 3.58 -1.48 2.45 -1.09 -1.26 -4.92 121.20 113.57 1va1 s ILE 541 Ca -0.05 0.94 -0.09 0.00 -2.23 0.00 0.00 60.65 59.22 1va1 s ILE 541 Cb 0.17 -3.38 -0.07 0.00 -1.58 0.00 0.00 42.46 37.61 1va1 s ILE 541 CO 0.65 -0.25 2.92 0.00 -1.23 0.00 0.00 174.94 177.03 1va1 n GLN 542 N -1.25 3.73 0.00 2.79 6.02 -1.26 -4.41 117.38 122.99 1va1 n GLN 542 Ca 0.10 -2.32 0.00 0.00 -0.01 0.00 0.00 57.00 54.77 1va1 n GLN 542 Cb 0.52 -2.73 0.00 0.00 1.02 0.00 0.00 30.24 29.05 1va1 n GLN 542 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1va1 n GLY 543 N 3.22 0.24 0.00 1.08 0.00 -1.26 -4.98 105.19 103.50 1va1 n GLY 543 Ca 0.74 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 0.69 0.14 0.00 0.00 -1.26 -4.68 105.19 105.07 1va1 n GLY 545 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.83 1va1 n GLY 545 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1va1 h LYS 546 N 3.06 0.35 -5.58 1.61 -0.00 -1.97 -3.49 116.57 110.55 1va1 h LYS 546 Ca -0.09 -0.45 -0.04 0.00 -0.00 0.00 0.00 60.65 60.06 1va1 h LYS 546 Cb 1.09 0.15 0.00 0.00 -0.00 0.00 0.00 32.23 33.47 1va1 h LYS 546 CO 0.16 1.15 -0.91 0.28 -0.00 0.00 0.00 179.45 180.13 1va1 n VAL 547 N -3.66 -8.91 -3.81 0.07 0.31 -1.26 -5.00 118.33 96.07 1va1 n VAL 547 Ca -0.07 1.16 -0.27 0.00 -0.01 0.00 0.00 64.34 65.15 1va1 n VAL 547 Cb 0.91 -5.85 -0.03 0.00 -0.91 0.00 0.00 33.84 27.96 1va1 n VAL 547 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1va1 s TYR 548 N -1.72 3.48 -0.38 3.52 2.02 -0.52 -4.85 117.35 118.91 1va1 s TYR 548 Ca 0.10 0.23 0.05 0.00 -0.37 0.00 0.00 57.07 57.08 1va1 s TYR 548 Cb -0.02 -1.76 0.59 0.00 -0.40 0.00 0.00 41.96 40.37 1va1 s TYR 548 CO 0.63 0.44 1.75 0.41 -1.57 0.00 0.00 175.55 177.22 1va1 n GLY 549 N -0.64 3.93 3.03 0.71 0.00 -1.26 -1.57 105.19 109.39 1va1 n GLY 549 Ca -0.06 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.78 0.18 0.27 1.61 2.47 -1.26 -4.95 119.74 115.28 1va1 s LYS 550 Ca 0.49 0.56 0.05 0.00 -1.56 0.00 0.00 55.97 55.50 1va1 s LYS 550 Cb 0.40 -0.12 0.36 0.00 -1.46 0.00 0.00 37.83 37.01 1va1 s LYS 550 CO 0.10 -0.19 1.64 0.00 0.16 0.00 0.00 175.35 177.06 1va1 h THR 551 N 5.98 1.33 -0.43 3.43 1.03 -1.99 -2.91 112.91 119.36 1va1 h THR 551 Ca -0.35 -1.68 0.05 0.00 -0.01 0.00 0.00 66.41 64.42 1va1 h THR 551 Cb 1.15 1.77 -0.02 0.00 -1.07 0.00 0.00 68.15 69.97 1va1 h THR 551 CO 0.32 0.50 0.29 0.28 -0.01 0.00 0.00 175.52 176.91 1va1 h SER 552 N 0.23 0.34 0.85 0.00 0.02 -2.01 -0.51 113.55 112.46 1va1 h SER 552 Ca 0.01 -0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.80 1va1 h SER 552 Cb 0.92 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 1va1 h SER 552 CO 0.08 0.23 -0.75 0.45 -1.14 0.00 0.00 176.83 175.69 1va1 h HIS 553 N 0.39 0.00 -0.47 3.45 3.86 -1.95 -3.18 115.15 117.25 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 0.24 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 1va1 h HIS 553 CO -0.00 0.75 0.22 1.25 0.86 0.00 0.00 177.93 181.01 1va1 h LEU 554 N 0.00 0.59 -0.28 2.43 5.85 -1.04 -1.70 115.31 121.16 1va1 h LEU 554 Ca -0.01 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1va1 h LEU 554 Cb 1.38 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1va1 h LEU 554 CO 0.10 0.51 0.11 0.08 -0.34 0.00 0.00 178.44 178.90 1va1 h ARG 555 N 0.66 0.42 -0.44 1.25 0.11 -1.49 0.32 114.38 115.21 1va1 h ARG 555 Ca 0.17 -0.08 -0.07 0.00 0.10 0.00 0.00 59.98 60.10 1va1 h ARG 555 Cb 0.08 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.07 1va1 h ARG 555 CO -0.02 0.45 -0.02 0.00 0.10 0.00 0.00 179.97 180.47 1va1 h ALA 556 N 0.95 1.14 -0.14 0.08 0.00 -1.56 -2.29 119.26 117.44 1va1 h ALA 556 Ca 0.09 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 1va1 h ALA 556 Cb 0.19 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1va1 h ALA 556 CO -0.01 0.55 -0.80 1.25 0.00 0.00 0.00 179.25 180.24 1va1 h HIS 557 N 0.68 1.08 -0.37 0.00 -0.00 -1.08 -3.16 115.15 112.31 1va1 h HIS 557 Ca 0.13 -0.49 0.00 0.00 -0.00 0.00 0.00 60.37 60.02 1va1 h HIS 557 Cb 0.45 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.68 1va1 h HIS 557 CO 0.02 1.32 0.24 -0.07 -0.00 0.00 0.00 177.93 179.45 1va1 h LEU 558 N 0.53 0.42 -2.00 0.26 3.38 -0.18 -1.90 115.31 115.81 1va1 h LEU 558 Ca -0.06 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1va1 h LEU 558 Cb 1.44 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 1va1 h LEU 558 CO 0.17 0.30 0.06 0.08 0.09 0.00 0.00 178.44 179.14 1va1 h ARG 559 N 0.50 0.00 -0.25 1.13 0.11 -1.47 -1.16 114.38 113.24 1va1 h ARG 559 Ca 0.13 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.09 1va1 h ARG 559 Cb -0.06 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.01 1va1 h ARG 559 CO -0.03 0.00 -0.38 2.35 0.10 0.00 0.00 179.97 182.01 1va1 h TRP 560 N 0.00 0.66 -0.50 4.08 7.01 -1.31 -3.07 115.95 122.82 1va1 h TRP 560 Ca 0.04 -0.18 -0.13 0.00 2.11 0.00 0.00 58.89 60.73 1va1 h TRP 560 Cb 0.17 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 1va1 h TRP 560 CO 0.00 0.86 -0.19 0.45 -2.79 0.00 0.00 178.44 176.77 1va1 h HIS 561 N 0.47 1.16 -5.11 2.65 3.86 -0.92 -3.47 115.15 113.78 1va1 h HIS 561 Ca 0.04 -0.27 -0.40 0.00 -1.16 0.00 0.00 60.37 58.58 1va1 h HIS 561 Cb 0.87 -0.27 0.01 0.00 1.06 0.00 0.00 27.41 29.09 1va1 h HIS 561 CO 0.03 1.10 -0.62 0.25 0.86 0.00 0.00 177.93 179.56 1va1 n THR 562 N -4.12 -1.79 -1.64 2.45 -2.24 -1.01 -4.26 114.28 101.67 1va1 n THR 562 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.78 1va1 n THR 562 Cb 0.45 -2.95 -0.01 0.00 -2.10 0.00 0.00 70.33 65.72 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 -1.48 -3.94 3.91 3.38 0.00 -1.26 -5.07 105.19 100.73 1va1 n GLY 563 Ca -0.05 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.29 2.80 0.00 1.61 0.41 -1.26 -5.22 118.70 115.74 1va1 s GLU 564 Ca -0.03 -1.26 0.00 0.00 -0.41 0.00 0.00 54.97 53.26 1va1 s GLU 564 Cb 0.00 -2.58 0.00 0.00 -1.78 0.00 0.00 34.13 29.77 1va1 s GLU 564 CO 0.09 -0.01 0.00 0.54 -0.49 0.00 0.00 175.26 175.39