#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 6.90 0.77 7.83 1.11 -1.26 -5.08 116.67 126.95 1va1 s ASP 530 Ca 0.00 1.15 -0.11 0.00 0.18 0.00 0.00 52.55 53.77 1va1 s ASP 530 Cb 0.00 -2.32 0.05 0.00 1.07 0.00 0.00 42.92 41.73 1va1 s ASP 530 CO 0.00 0.14 1.08 -2.16 1.18 0.00 0.00 175.17 175.41 1va1 s PRO 531 N -1.75 2.32 0.36 8.23 0.04 -1.26 -5.08 135.00 137.86 1va1 s PRO 531 Ca 0.36 0.86 -0.03 0.00 0.04 0.00 0.00 61.00 62.22 1va1 s PRO 531 Cb -0.16 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.46 1va1 s PRO 531 CO 0.19 -1.51 0.53 0.20 0.04 0.00 0.00 177.00 176.45 1va1 s GLY 532 N -3.73 1.43 -0.45 0.56 0.00 -1.26 -5.12 107.32 98.75 1va1 s GLY 532 Ca 0.60 -1.47 -0.23 0.00 0.00 0.00 0.00 44.72 43.62 1va1 s GLY 532 CO 0.55 -0.93 0.79 0.54 0.00 0.00 0.00 173.10 174.05 1va1 s LYS 533 N -2.83 3.42 -0.02 2.90 1.02 -1.26 -5.01 119.74 117.97 1va1 s LYS 533 Ca 0.29 -0.08 -0.20 0.00 0.02 0.00 0.00 55.97 55.99 1va1 s LYS 533 Cb -0.01 -3.93 0.04 0.00 -0.52 0.00 0.00 37.83 33.40 1va1 s LYS 533 CO 0.20 -1.11 0.43 0.21 -0.92 0.00 0.00 175.35 174.17 1va1 s LYS 534 N 3.29 0.82 -0.38 1.68 2.20 -1.26 -5.13 119.74 120.96 1va1 s LYS 534 Ca 0.30 -0.08 -0.04 0.00 -0.36 0.00 0.00 55.97 55.79 1va1 s LYS 534 Cb -0.12 0.37 0.08 0.00 -1.51 0.00 0.00 37.83 36.65 1va1 s LYS 534 CO 0.23 -0.24 0.16 0.21 -0.36 0.00 0.00 175.35 175.34 1va1 s LYS 535 N -1.44 2.28 -0.18 4.03 2.20 -1.26 -5.05 119.74 120.32 1va1 s LYS 535 Ca -0.12 -1.56 -0.34 0.00 -0.36 0.00 0.00 55.97 53.59 1va1 s LYS 535 Cb -0.03 -3.52 0.14 0.00 -1.51 0.00 0.00 37.83 32.91 1va1 s LYS 535 CO 0.05 -0.91 1.19 -0.65 -0.36 0.00 0.00 175.35 174.67 1va1 s GLN 536 N 1.25 0.34 -0.33 4.03 -0.21 -1.26 -5.02 119.66 118.45 1va1 s GLN 536 Ca 0.03 -0.10 0.03 0.00 0.02 0.00 0.00 55.36 55.34 1va1 s GLN 536 Cb -0.22 0.16 0.10 0.00 1.00 0.00 0.00 33.01 34.05 1va1 s GLN 536 CO -0.02 -0.14 0.06 -1.01 -2.12 0.00 0.00 175.29 172.06 1va1 s HIS 537 N -2.28 3.27 0.19 0.91 3.76 -0.99 -5.03 115.29 115.12 1va1 s HIS 537 Ca 0.08 -2.70 -0.04 0.00 -0.15 0.00 0.00 55.06 52.25 1va1 s HIS 537 Cb -0.01 -2.64 -0.05 0.00 1.11 0.00 0.00 32.58 30.99 1va1 s HIS 537 CO -0.05 -0.93 0.42 0.42 -0.85 0.00 0.00 174.74 173.75 1va1 s ILE 538 N 1.06 5.13 0.04 0.60 1.09 -1.26 -2.29 121.20 125.58 1va1 s ILE 538 Ca 0.11 -0.03 -0.31 0.00 -1.10 0.00 0.00 60.65 59.32 1va1 s ILE 538 Cb -0.19 -3.67 -0.10 0.00 -1.06 0.00 0.00 42.46 37.45 1va1 s ILE 538 CO -0.12 -0.09 1.93 0.00 -0.10 0.00 0.00 174.94 176.56 1va1 h HIS 540 N 9.90 0.00 -3.93 0.00 2.76 -1.97 -3.42 115.15 118.49 1va1 h HIS 540 Ca -0.49 0.00 -0.47 0.00 -2.20 0.00 0.00 60.37 57.21 1va1 h HIS 540 Cb 1.24 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.19 1va1 h HIS 540 CO 0.91 0.00 0.24 0.42 -1.30 0.00 0.00 177.93 178.20 1va1 s ILE 541 N -4.96 4.56 -1.21 6.26 -1.09 -1.26 -4.99 121.20 118.50 1va1 s ILE 541 Ca -0.05 1.15 -0.13 0.00 -2.23 0.00 0.00 60.65 59.40 1va1 s ILE 541 Cb 0.17 -3.64 0.18 0.00 -1.58 0.00 0.00 42.46 37.59 1va1 s ILE 541 CO 0.66 -0.37 1.48 0.00 -1.23 0.00 0.00 174.94 175.48 1va1 n GLN 542 N -0.81 3.43 0.00 2.79 1.13 -1.26 -4.17 117.38 118.49 1va1 n GLN 542 Ca 0.05 -3.86 0.00 0.00 -1.94 0.00 0.00 57.00 51.26 1va1 n GLN 542 Cb 0.54 -2.99 0.00 0.00 0.11 0.00 0.00 30.24 27.90 1va1 n GLN 542 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1va1 n GLY 543 N 3.80 -0.13 2.15 1.08 0.00 -1.26 -5.15 105.19 105.68 1va1 n GLY 543 Ca 0.36 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 46.22 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 0.53 -1.37 0.11 0.00 0.00 -1.26 -4.81 105.19 98.38 1va1 n GLY 545 Ca 0.09 0.44 -0.16 0.00 0.00 0.00 0.00 46.02 46.40 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 1.49 0.20 -5.88 1.61 -0.00 -1.98 -3.50 116.57 108.52 1va1 h LYS 546 Ca -0.50 -0.35 -0.03 0.00 -0.00 0.00 0.00 60.65 59.77 1va1 h LYS 546 Cb 1.23 0.13 0.00 0.00 -0.00 0.00 0.00 32.23 33.59 1va1 h LYS 546 CO -0.14 1.03 -0.99 0.28 -0.00 0.00 0.00 179.45 179.63 1va1 n VAL 547 N -3.39 -6.30 -4.02 0.07 0.31 -1.25 -4.99 118.33 98.76 1va1 n VAL 547 Ca -0.18 1.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.89 1va1 n VAL 547 Cb 1.04 -4.70 -0.04 0.00 -0.91 0.00 0.00 33.84 29.23 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 -1.34 3.31 -0.41 3.52 2.02 -0.97 -4.86 117.35 118.62 1va1 s TYR 548 Ca 0.04 0.05 0.02 0.00 -0.37 0.00 0.00 57.07 56.81 1va1 s TYR 548 Cb -0.01 -1.59 0.52 0.00 -0.40 0.00 0.00 41.96 40.49 1va1 s TYR 548 CO 0.38 0.52 1.82 0.41 -1.57 0.00 0.00 175.55 177.12 1va1 n GLY 549 N -0.45 4.35 3.16 0.71 0.00 -1.26 -2.35 105.19 109.35 1va1 n GLY 549 Ca -0.08 -1.12 -0.11 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.85 0.29 0.25 1.61 2.36 -1.26 -5.02 119.74 115.12 1va1 s LYS 550 Ca 0.49 0.69 0.03 0.00 -2.55 0.00 0.00 55.97 54.63 1va1 s LYS 550 Cb 0.41 -0.05 0.30 0.00 -1.05 0.00 0.00 37.83 37.44 1va1 s LYS 550 CO 0.07 -0.17 1.61 1.15 1.55 0.00 0.00 175.35 179.56 1va1 h THR 551 N 5.77 1.33 -0.50 3.43 2.02 -2.00 -2.89 112.91 120.07 1va1 h THR 551 Ca -0.36 -1.68 0.11 0.00 0.77 0.00 0.00 66.41 65.25 1va1 h THR 551 Cb 1.16 1.74 -0.03 0.00 -1.74 0.00 0.00 68.15 69.29 1va1 h THR 551 CO 0.31 0.51 0.34 -1.28 0.37 0.00 0.00 175.52 175.77 1va1 h SER 552 N 0.29 0.16 0.91 4.18 0.87 -2.00 0.17 113.55 118.12 1va1 h SER 552 Ca 0.02 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.44 1va1 h SER 552 Cb 0.94 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.85 1va1 h SER 552 CO 0.08 0.10 -0.69 0.45 -0.53 0.00 0.00 176.83 176.23 1va1 h HIS 553 N 0.18 0.00 -0.48 2.24 3.86 -1.94 -3.19 115.15 115.82 1va1 h HIS 553 Ca 0.23 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.35 1va1 h HIS 553 Cb 0.69 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 1va1 h HIS 553 CO -0.00 0.69 -0.06 1.25 0.86 0.00 0.00 177.93 180.67 1va1 h LEU 554 N 0.00 0.83 -0.87 2.43 5.85 -0.68 -0.64 115.31 122.22 1va1 h LEU 554 Ca -0.01 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 1va1 h LEU 554 Cb 1.34 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1va1 h LEU 554 CO 0.09 0.93 0.11 0.08 -0.34 0.00 0.00 178.44 179.31 1va1 h ARG 555 N 0.77 0.94 0.00 1.25 0.11 -1.45 0.59 114.38 116.60 1va1 h ARG 555 Ca 0.14 -0.22 -0.21 0.00 0.10 0.00 0.00 59.98 59.78 1va1 h ARG 555 Cb 0.55 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 31.50 1va1 h ARG 555 CO 0.03 0.87 -0.90 0.00 0.10 0.00 0.00 179.97 180.07 1va1 h ALA 556 N 1.22 0.46 0.04 0.08 0.00 -1.53 -3.02 119.26 116.50 1va1 h ALA 556 Ca 0.19 -0.72 -0.23 0.00 0.00 0.00 0.00 54.91 54.15 1va1 h ALA 556 Cb 0.37 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1va1 h ALA 556 CO 0.01 0.87 -1.06 1.25 0.00 0.00 0.00 179.25 180.32 1va1 h HIS 557 N 0.16 0.16 -0.48 0.00 -0.00 -0.86 -3.29 115.15 110.83 1va1 h HIS 557 Ca -0.06 -0.11 -0.09 0.00 -0.00 0.00 0.00 60.37 60.11 1va1 h HIS 557 Cb 1.53 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 28.92 1va1 h HIS 557 CO 0.04 1.07 -0.08 -0.07 -0.00 0.00 0.00 177.93 178.90 1va1 h LEU 558 N 0.03 0.83 -2.02 0.26 3.38 0.16 -2.64 115.31 115.32 1va1 h LEU 558 Ca -0.05 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.71 1va1 h LEU 558 Cb 1.80 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.33 1va1 h LEU 558 CO 0.15 0.94 0.07 0.08 0.09 0.00 0.00 178.44 179.77 1va1 h ARG 559 N 0.77 0.00 -0.27 1.13 0.11 -1.60 -1.89 114.38 112.62 1va1 h ARG 559 Ca 0.13 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.15 1va1 h ARG 559 Cb 0.57 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.65 1va1 h ARG 559 CO 0.04 0.00 -0.07 -1.49 0.10 0.00 0.00 179.97 178.54 1va1 h TRP 560 N 0.00 0.60 -0.34 4.08 6.55 -1.59 -3.19 115.95 122.07 1va1 h TRP 560 Ca 0.04 -0.13 -0.02 0.00 0.95 0.00 0.00 58.89 59.73 1va1 h TRP 560 Cb 0.17 -0.15 -0.02 0.00 -0.86 0.00 0.00 29.16 28.31 1va1 h TRP 560 CO 0.00 0.75 0.15 0.45 -1.05 0.00 0.00 178.44 178.73 1va1 h HIS 561 N 0.29 0.50 -2.93 0.49 3.86 -1.37 -3.40 115.15 112.59 1va1 h HIS 561 Ca 0.07 -0.03 -0.56 0.00 -1.16 0.00 0.00 60.37 58.69 1va1 h HIS 561 Cb 0.56 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.84 1va1 h HIS 561 CO 0.05 0.46 0.86 0.95 0.86 0.00 0.00 177.93 181.10 1va1 s THR 562 N -5.62 4.17 -0.04 2.45 -4.23 -0.87 -3.77 115.64 107.73 1va1 s THR 562 Ca -0.13 1.45 -0.00 0.00 -1.18 0.00 0.00 61.69 61.83 1va1 s THR 562 Cb 0.09 -3.93 -0.00 0.00 1.34 0.00 0.00 72.50 70.00 1va1 s THR 562 CO 0.74 -0.08 0.03 0.61 -0.54 0.00 0.00 174.62 175.38 1va1 n GLY 563 N 3.59 0.72 3.94 3.99 0.00 -1.26 -4.86 105.19 111.30 1va1 n GLY 563 Ca 0.13 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.35 3.32 0.00 1.61 2.02 -1.25 -5.03 118.70 116.03 1va1 s GLU 564 Ca 0.01 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 54.70 1va1 s GLU 564 Cb -0.00 -2.57 0.00 0.00 0.10 0.00 0.00 34.13 31.66 1va1 s GLU 564 CO 0.03 -0.09 0.37 0.54 0.02 0.00 0.00 175.26 176.12