#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 0.11 0.30 7.83 1.01 -1.26 -5.05 116.67 119.62 1va1 s ASP 530 Ca 0.00 -0.79 0.05 0.00 0.71 0.00 0.00 52.55 52.53 1va1 s ASP 530 Cb 0.00 0.37 0.72 0.00 1.01 0.00 0.00 42.92 45.02 1va1 s ASP 530 CO 0.00 -0.79 1.79 -0.65 0.21 0.00 0.00 175.17 175.74 1va1 h PRO 531 N 2.69 0.78 -4.12 8.23 0.11 -2.15 -3.43 132.00 134.10 1va1 h PRO 531 Ca -0.33 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.59 1va1 h PRO 531 Cb 1.21 -0.18 -0.14 0.00 0.11 0.00 0.00 31.00 32.01 1va1 h PRO 531 CO 0.54 0.51 -0.46 0.20 -0.21 0.00 0.00 178.00 178.58 1va1 s GLY 532 N -3.69 0.70 -0.09 -0.55 0.00 -1.26 -5.16 107.32 97.27 1va1 s GLY 532 Ca -0.11 -1.14 -0.04 0.00 0.00 0.00 0.00 44.72 43.43 1va1 s GLY 532 CO 0.80 -1.06 0.21 1.25 0.00 0.00 0.00 173.10 174.30 1va1 s LYS 533 N -4.00 0.13 0.12 2.90 2.20 -1.26 -5.15 119.74 114.69 1va1 s LYS 533 Ca 0.20 0.53 0.03 0.00 -0.36 0.00 0.00 55.97 56.37 1va1 s LYS 533 Cb 0.05 -0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 36.18 1va1 s LYS 533 CO 0.01 -0.21 -0.07 -1.59 -0.36 0.00 0.00 175.35 173.13 1va1 s LYS 534 N 1.60 0.94 0.04 4.03 -2.85 -1.26 -5.17 119.74 117.09 1va1 s LYS 534 Ca -0.05 -1.40 0.04 0.00 -1.00 0.00 0.00 55.97 53.56 1va1 s LYS 534 Cb -0.11 -0.36 -0.02 0.00 -2.06 0.00 0.00 37.83 35.28 1va1 s LYS 534 CO -0.07 0.00 -0.13 0.15 0.10 0.00 0.00 175.35 175.40 1va1 s LYS 535 N -3.81 0.84 -0.07 1.78 1.02 -1.26 -5.15 119.74 113.08 1va1 s LYS 535 Ca 0.15 -0.78 -0.20 0.00 0.02 0.00 0.00 55.97 55.16 1va1 s LYS 535 Cb 0.04 -0.82 0.04 0.00 -0.52 0.00 0.00 37.83 36.58 1va1 s LYS 535 CO -0.02 0.20 0.47 -0.65 -0.92 0.00 0.00 175.35 174.43 1va1 s GLN 536 N -1.28 0.76 -0.45 1.68 -0.21 -1.26 -4.91 119.66 113.99 1va1 s GLN 536 Ca -0.00 0.19 -0.06 0.00 0.02 0.00 0.00 55.36 55.51 1va1 s GLN 536 Cb -0.08 0.35 0.12 0.00 1.00 0.00 0.00 33.01 34.40 1va1 s GLN 536 CO 0.01 -0.20 0.28 -1.01 -2.12 0.00 0.00 175.29 172.26 1va1 s HIS 537 N -0.84 3.51 0.07 0.91 3.76 -1.01 -5.02 115.29 116.67 1va1 s HIS 537 Ca -0.09 -2.15 -0.11 0.00 -0.15 0.00 0.00 55.06 52.56 1va1 s HIS 537 Cb -0.03 -3.37 -0.06 0.00 1.11 0.00 0.00 32.58 30.23 1va1 s HIS 537 CO 0.05 -0.98 0.41 0.42 -0.85 0.00 0.00 174.74 173.79 1va1 s ILE 538 N 1.23 5.06 -0.59 0.60 1.09 -1.26 -3.00 121.20 124.33 1va1 s ILE 538 Ca 0.07 0.57 -0.28 0.00 -1.10 0.00 0.00 60.65 59.91 1va1 s ILE 538 Cb -0.24 -3.66 0.02 0.00 -1.06 0.00 0.00 42.46 37.51 1va1 s ILE 538 CO -0.02 0.35 1.29 0.00 -0.10 0.00 0.00 174.94 176.46 1va1 h HIS 540 N 10.22 0.19 -2.20 0.00 3.86 -1.96 -3.42 115.15 121.85 1va1 h HIS 540 Ca -0.26 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.40 1va1 h HIS 540 Cb 1.07 -0.07 0.01 0.00 1.06 0.00 0.00 27.41 29.49 1va1 h HIS 540 CO 1.05 0.11 1.31 -0.89 0.86 0.00 0.00 177.93 180.38 1va1 n ILE 541 N -4.49 0.62 -1.56 2.45 5.41 -1.26 -4.82 119.36 115.71 1va1 n ILE 541 Ca 0.02 -0.24 -0.13 0.00 1.00 0.00 0.00 62.75 63.39 1va1 n ILE 541 Cb 0.19 -2.37 -0.08 0.00 -0.71 0.00 0.00 39.64 36.67 1va1 n ILE 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1va1 n GLN 542 N 7.89 0.50 0.00 0.38 6.02 -1.26 -2.65 117.38 128.27 1va1 n GLN 542 Ca 0.24 -0.86 0.00 0.00 -0.01 0.00 0.00 57.00 56.36 1va1 n GLN 542 Cb 0.41 -3.57 0.00 0.00 1.02 0.00 0.00 30.24 28.10 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 6.70 0.66 3.55 1.08 0.00 -1.26 -5.15 105.19 110.77 1va1 n GLY 543 Ca 0.48 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.38 0.00 0.11 0.00 0.00 -1.26 -4.77 105.19 96.89 1va1 n GLY 545 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.32 -5.36 1.61 2.10 -1.96 -3.49 116.57 109.78 1va1 h LYS 546 Ca 0.00 -0.52 -0.02 0.00 -2.00 0.00 0.00 60.65 58.11 1va1 h LYS 546 Cb 0.00 0.19 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 1va1 h LYS 546 CO 0.00 1.24 -0.88 0.28 -2.00 0.00 0.00 179.45 178.09 1va1 n VAL 547 N -3.57-10.50 -3.92 0.07 0.31 -1.25 -5.01 118.33 94.46 1va1 n VAL 547 Ca -0.09 1.40 -0.26 0.00 -0.01 0.00 0.00 64.34 65.38 1va1 n VAL 547 Cb 1.02 -6.50 -0.03 0.00 -0.91 0.00 0.00 33.84 27.42 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 -1.82 3.49 -0.51 3.52 2.02 -1.16 -4.86 117.35 118.03 1va1 s TYR 548 Ca 0.08 0.14 0.02 0.00 -0.37 0.00 0.00 57.07 56.94 1va1 s TYR 548 Cb -0.02 -1.68 0.60 0.00 -0.40 0.00 0.00 41.96 40.46 1va1 s TYR 548 CO 0.71 0.50 1.95 0.41 -1.57 0.00 0.00 175.55 177.55 1va1 n GLY 549 N -0.56 4.87 3.15 0.71 0.00 -1.26 -2.40 105.19 109.71 1va1 n GLY 549 Ca -0.07 -1.43 -0.11 0.00 0.00 0.00 0.00 46.02 44.41 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 -3.42 0.28 0.23 1.61 2.20 -1.26 -5.03 119.74 114.35 1va1 s LYS 550 Ca 0.59 0.73 0.01 0.00 -0.36 0.00 0.00 55.97 56.94 1va1 s LYS 550 Cb 0.48 -0.01 0.25 0.00 -1.51 0.00 0.00 37.83 37.04 1va1 s LYS 550 CO 0.07 -0.19 1.58 1.79 -0.36 0.00 0.00 175.35 178.24 1va1 h THR 551 N 5.86 1.33 -0.42 3.43 1.35 -2.01 -2.94 112.91 119.51 1va1 h THR 551 Ca -0.32 -1.73 0.09 0.00 -0.55 0.00 0.00 66.41 63.90 1va1 h THR 551 Cb 1.15 1.76 -0.02 0.00 -1.73 0.00 0.00 68.15 69.31 1va1 h THR 551 CO 0.27 0.53 0.29 0.28 -0.25 0.00 0.00 175.52 176.64 1va1 h SER 552 N 0.32 0.17 0.93 5.36 0.02 -2.01 0.89 113.55 119.23 1va1 h SER 552 Ca 0.01 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.83 1va1 h SER 552 Cb 0.99 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 1va1 h SER 552 CO 0.09 0.10 -0.67 0.45 -1.14 0.00 0.00 176.83 175.66 1va1 h HIS 553 N 0.19 0.00 -0.51 3.45 3.86 -1.95 -3.18 115.15 117.01 1va1 h HIS 553 Ca 0.19 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.36 1va1 h HIS 553 Cb 0.53 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.97 1va1 h HIS 553 CO -0.00 0.67 0.12 1.25 0.86 0.00 0.00 177.93 180.83 1va1 h LEU 554 N 0.00 0.72 -0.20 2.43 5.85 -0.81 0.41 115.31 123.71 1va1 h LEU 554 Ca -0.01 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 1va1 h LEU 554 Cb 1.31 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1va1 h LEU 554 CO 0.09 0.71 0.00 0.08 -0.34 0.00 0.00 178.44 178.98 1va1 h ARG 555 N 0.75 0.35 -0.10 1.25 0.11 -1.49 0.44 114.38 115.68 1va1 h ARG 555 Ca 0.17 -0.11 -0.11 0.00 0.10 0.00 0.00 59.98 60.02 1va1 h ARG 555 Cb 0.28 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.31 1va1 h ARG 555 CO -0.00 0.54 -0.44 0.00 0.10 0.00 0.00 179.97 180.16 1va1 h ALA 556 N 0.79 1.06 0.10 0.08 0.00 -1.55 -2.89 119.26 116.85 1va1 h ALA 556 Ca 0.06 -0.44 -0.28 0.00 0.00 0.00 0.00 54.91 54.25 1va1 h ALA 556 Cb 0.38 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.10 1va1 h ALA 556 CO 0.01 0.62 -1.18 1.25 0.00 0.00 0.00 179.25 179.94 1va1 h HIS 557 N 0.20 0.79 -0.97 0.00 -0.00 -0.79 -3.29 115.15 111.09 1va1 h HIS 557 Ca 0.01 -0.50 0.03 0.00 -0.00 0.00 0.00 60.37 59.91 1va1 h HIS 557 Cb 0.87 -0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 28.16 1va1 h HIS 557 CO 0.02 1.36 0.64 -0.07 -0.00 0.00 0.00 177.93 179.87 1va1 h LEU 558 N 0.21 1.08 -2.01 0.26 3.38 -0.03 -1.29 115.31 116.90 1va1 h LEU 558 Ca -0.15 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.83 1va1 h LEU 558 Cb 1.86 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.35 1va1 h LEU 558 CO 0.21 0.75 0.07 0.08 0.09 0.00 0.00 178.44 179.64 1va1 h ARG 559 N 1.26 0.00 -0.20 1.13 -0.00 -1.58 -2.04 114.38 112.96 1va1 h ARG 559 Ca 0.38 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 60.31 1va1 h ARG 559 Cb -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 29.91 1va1 h ARG 559 CO -0.11 0.00 -0.06 2.35 -0.00 0.00 0.00 179.97 182.15 1va1 h TRP 560 N 0.00 0.44 -0.42 4.08 7.01 -1.33 -3.18 115.95 122.55 1va1 h TRP 560 Ca 0.04 -0.10 0.01 0.00 2.11 0.00 0.00 58.89 60.95 1va1 h TRP 560 Cb 0.17 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 27.11 1va1 h TRP 560 CO 0.00 0.65 0.27 0.45 -2.79 0.00 0.00 178.44 177.02 1va1 h HIS 561 N 0.10 0.51 -2.36 2.65 3.86 -1.27 -3.41 115.15 115.22 1va1 h HIS 561 Ca 0.05 0.01 -0.56 0.00 -1.16 0.00 0.00 60.37 58.71 1va1 h HIS 561 Cb 0.51 -0.17 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 1va1 h HIS 561 CO 0.05 0.32 1.29 0.95 0.86 0.00 0.00 177.93 181.40 1va1 s THR 562 N -6.16 3.22 -0.13 2.45 -4.23 -0.94 -4.15 115.64 105.70 1va1 s THR 562 Ca -0.13 0.25 -0.07 0.00 -1.18 0.00 0.00 61.69 60.56 1va1 s THR 562 Cb 0.11 -3.22 0.03 0.00 1.34 0.00 0.00 72.50 70.76 1va1 s THR 562 CO 0.73 -0.09 0.14 0.61 -0.54 0.00 0.00 174.62 175.47 1va1 n GLY 563 N 4.97 -4.34 1.34 3.99 0.00 -1.26 -4.93 105.19 104.95 1va1 n GLY 563 Ca 0.23 0.90 -0.05 0.00 0.00 0.00 0.00 46.02 47.09 1va1 n GLY 563 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1va1 n GLU 564 N 0.98 0.29 0.00 1.61 -0.00 -1.26 -4.96 120.64 117.30 1va1 n GLU 564 Ca -0.23 -0.97 0.00 0.00 -0.00 0.00 0.00 57.16 55.96 1va1 n GLU 564 Cb 0.36 0.48 0.00 0.00 -0.00 0.00 0.00 31.44 32.28 1va1 n GLU 564 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00