#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 -0.27 -3.12 7.83 5.19 -2.08 -3.44 116.42 120.53 1va1 h ASP 530 Ca 0.00 0.01 -0.54 0.00 -0.62 0.00 0.00 57.03 55.88 1va1 h ASP 530 Cb 0.00 0.07 -0.00 0.00 0.18 0.00 0.00 39.33 39.58 1va1 h ASP 530 CO 0.00 0.14 0.64 -2.16 -3.12 0.00 0.00 179.24 174.74 1va1 s PRO 531 N -2.60 4.39 -0.05 3.56 0.04 -1.26 -4.31 135.00 134.77 1va1 s PRO 531 Ca -0.05 1.77 -0.01 0.00 0.04 0.00 0.00 61.00 62.75 1va1 s PRO 531 Cb 0.00 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1va1 s PRO 531 CO 0.14 -0.36 0.07 0.41 0.04 0.00 0.00 177.00 177.30 1va1 n GLY 532 N 3.32 -0.69 3.24 0.56 0.00 -1.26 -5.08 105.19 105.28 1va1 n GLY 532 Ca 0.10 0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1va1 n GLY 532 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1va1 s LYS 533 N -1.54 2.39 0.15 1.61 0.00 -1.26 -5.07 119.74 116.02 1va1 s LYS 533 Ca 0.02 -0.84 0.09 0.00 0.00 0.00 0.00 55.97 55.24 1va1 s LYS 533 Cb -0.01 -2.03 -0.04 0.00 0.00 0.00 0.00 37.83 35.76 1va1 s LYS 533 CO 0.08 0.34 -0.13 0.21 0.00 0.00 0.00 175.35 175.85 1va1 s LYS 534 N -0.10 1.94 0.13 1.78 2.20 -1.26 -5.14 119.74 119.29 1va1 s LYS 534 Ca -0.04 -1.23 0.04 0.00 -0.36 0.00 0.00 55.97 54.37 1va1 s LYS 534 Cb -0.13 -2.14 -0.04 0.00 -1.51 0.00 0.00 37.83 34.01 1va1 s LYS 534 CO 0.03 0.45 0.13 0.21 -0.36 0.00 0.00 175.35 175.81 1va1 s LYS 535 N -2.54 2.94 -0.13 4.03 2.47 -1.26 -5.11 119.74 120.14 1va1 s LYS 535 Ca 0.22 -0.77 -0.02 0.00 -1.56 0.00 0.00 55.97 53.84 1va1 s LYS 535 Cb -0.09 -2.71 0.04 0.00 -1.46 0.00 0.00 37.83 33.61 1va1 s LYS 535 CO 0.13 0.52 0.02 -0.65 0.16 0.00 0.00 175.35 175.54 1va1 s GLN 536 N -2.81 0.59 -0.59 4.03 -0.21 -1.26 -4.73 119.66 114.68 1va1 s GLN 536 Ca 0.31 -0.13 -0.19 0.00 0.02 0.00 0.00 55.36 55.37 1va1 s GLN 536 Cb -0.11 -1.52 0.11 0.00 1.00 0.00 0.00 33.01 32.49 1va1 s GLN 536 CO 0.23 -0.47 0.69 -1.01 -2.12 0.00 0.00 175.29 172.61 1va1 s HIS 537 N 1.94 3.02 -0.13 0.91 3.76 0.14 -4.90 115.29 120.02 1va1 s HIS 537 Ca 0.02 -1.00 -0.03 0.00 -0.15 0.00 0.00 55.06 53.90 1va1 s HIS 537 Cb -0.15 -4.00 -0.03 0.00 1.11 0.00 0.00 32.58 29.51 1va1 s HIS 537 CO -0.07 -1.28 -0.02 0.42 -0.85 0.00 0.00 174.74 172.95 1va1 s ILE 538 N 2.59 4.11 -0.17 0.60 1.01 -1.26 -1.42 121.20 126.66 1va1 s ILE 538 Ca 0.11 -0.30 -0.29 0.00 0.00 0.00 0.00 60.65 60.18 1va1 s ILE 538 Cb -0.24 -2.78 -0.06 0.00 0.01 0.00 0.00 42.46 39.39 1va1 s ILE 538 CO 0.06 0.53 2.17 0.00 0.00 0.00 0.00 174.94 177.70 1va1 n HIS 540 N 10.83 1.39 -3.84 0.00 1.44 -1.26 -4.71 115.22 119.07 1va1 n HIS 540 Ca 0.28 -2.12 -0.12 0.00 -2.01 0.00 0.00 57.72 53.75 1va1 n HIS 540 Cb 0.44 -1.69 -0.12 0.00 0.12 0.00 0.00 29.99 28.74 1va1 n HIS 540 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1va1 s ILE 541 N -0.42 0.02 -0.80 0.61 1.01 -1.26 -5.06 121.20 115.30 1va1 s ILE 541 Ca 0.62 -0.14 -0.24 0.00 0.00 0.00 0.00 60.65 60.90 1va1 s ILE 541 Cb 0.30 -0.22 -0.18 0.00 0.01 0.00 0.00 42.46 42.37 1va1 s ILE 541 CO -0.11 -0.07 1.89 1.67 0.00 0.00 0.00 174.94 178.32 1va1 n GLN 542 N 2.73 1.21 0.01 2.79 0.00 -1.26 -3.17 117.38 119.69 1va1 n GLN 542 Ca -0.14 -1.89 0.00 0.00 -0.00 0.00 0.00 57.00 54.96 1va1 n GLN 542 Cb 0.58 -3.16 0.00 0.00 0.00 0.00 0.00 30.24 27.66 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 5.08 -0.48 4.02 1.69 0.00 -1.26 -5.16 105.19 109.07 1va1 n GLY 543 Ca 0.47 0.13 -0.19 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.17 0.33 0.60 0.00 0.00 -1.26 -4.77 105.19 97.91 1va1 n GLY 545 Ca 0.13 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.54 0.31 -4.03 1.61 2.85 -1.26 -4.93 118.16 112.18 1va1 n LYS 546 Ca -0.10 -0.39 -0.14 0.00 -1.05 0.00 0.00 58.31 56.63 1va1 n LYS 546 Cb 0.62 -0.13 -0.14 0.00 -0.65 0.00 0.00 35.03 34.73 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 -0.60 0.25 0.04 0.58 1.01 -1.26 -4.11 120.40 116.31 1va1 s VAL 547 Ca 0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 1va1 s VAL 547 Cb -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 1va1 s VAL 547 CO 0.07 -0.02 0.03 -0.31 0.00 0.00 0.00 175.10 174.87 1va1 s TYR 548 N -0.31 0.30 -0.22 5.22 2.02 -0.51 -4.92 117.35 118.94 1va1 s TYR 548 Ca -0.01 -0.66 0.14 0.00 -0.37 0.00 0.00 57.07 56.17 1va1 s TYR 548 Cb -0.03 -0.22 0.31 0.00 -0.40 0.00 0.00 41.96 41.62 1va1 s TYR 548 CO -0.00 -0.33 1.21 0.41 -1.57 0.00 0.00 175.55 175.28 1va1 n GLY 549 N 0.80 4.03 3.19 0.71 0.00 -1.26 0.27 105.19 112.93 1va1 n GLY 549 Ca -0.19 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.90 1va1 n GLY 549 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1va1 s LYS 550 N -2.28 0.34 0.24 1.61 -0.14 -1.26 -4.99 119.74 113.25 1va1 s LYS 550 Ca 0.28 0.58 0.02 0.00 -1.36 0.00 0.00 55.97 55.49 1va1 s LYS 550 Cb 0.23 0.04 0.27 0.00 -1.68 0.00 0.00 37.83 36.68 1va1 s LYS 550 CO 0.06 -0.11 1.59 1.15 -0.76 0.00 0.00 175.35 177.28 1va1 h THR 551 N 5.25 1.34 -0.52 2.17 2.02 -2.01 -2.93 112.91 118.23 1va1 h THR 551 Ca -0.34 -1.74 0.13 0.00 0.77 0.00 0.00 66.41 65.23 1va1 h THR 551 Cb 1.18 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 69.35 1va1 h THR 551 CO 0.32 0.53 0.37 0.77 0.37 0.00 0.00 175.52 177.87 1va1 h SER 552 N 0.29 0.11 0.93 4.18 4.64 -2.01 0.25 113.55 121.94 1va1 h SER 552 Ca 0.01 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.20 1va1 h SER 552 Cb 0.99 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.04 1va1 h SER 552 CO 0.08 0.06 -0.67 0.45 -0.87 0.00 0.00 176.83 175.89 1va1 h HIS 553 N 0.12 0.00 -0.35 4.77 3.86 -1.95 -3.15 115.15 118.46 1va1 h HIS 553 Ca 0.25 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.38 1va1 h HIS 553 Cb 0.82 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.27 1va1 h HIS 553 CO -0.00 0.67 -0.12 -0.07 0.86 0.00 0.00 177.93 179.27 1va1 h LEU 554 N 0.00 0.59 -1.10 2.43 4.07 -0.53 -1.17 115.31 119.59 1va1 h LEU 554 Ca -0.01 -0.16 -0.03 0.00 0.08 0.00 0.00 57.88 57.76 1va1 h LEU 554 Cb 1.31 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.86 1va1 h LEU 554 CO 0.09 0.74 0.26 0.08 -1.08 0.00 0.00 178.44 178.53 1va1 h ARG 555 N 0.55 0.90 0.01 1.13 -0.00 -1.43 0.86 114.38 116.40 1va1 h ARG 555 Ca 0.10 -0.14 -0.13 0.00 -0.00 0.00 0.00 59.98 59.81 1va1 h ARG 555 Cb 0.53 -0.16 0.01 0.00 -0.00 0.00 0.00 29.97 30.35 1va1 h ARG 555 CO 0.03 0.72 -0.52 0.00 -0.00 0.00 0.00 179.97 180.21 1va1 h ALA 556 N 1.40 0.05 0.00 0.08 0.00 -1.55 -3.07 119.26 116.17 1va1 h ALA 556 Ca 0.21 -0.55 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1va1 h ALA 556 Cb 0.15 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1va1 h ALA 556 CO -0.02 0.28 -0.49 1.25 0.00 0.00 0.00 179.25 180.28 1va1 h HIS 557 N -0.23 0.00 -0.48 0.00 -0.00 -1.05 -3.04 115.15 110.35 1va1 h HIS 557 Ca -0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.21 1va1 h HIS 557 Cb 1.25 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.64 1va1 h HIS 557 CO 0.16 0.49 -0.09 -0.07 -0.00 0.00 0.00 177.93 178.42 1va1 h LEU 558 N 0.00 0.85 -1.81 0.26 3.38 0.71 -2.73 115.31 115.98 1va1 h LEU 558 Ca -0.00 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.73 1va1 h LEU 558 Cb 0.89 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1va1 h LEU 558 CO 0.06 0.97 0.18 0.08 0.09 0.00 0.00 178.44 179.82 1va1 h ARG 559 N 0.78 0.25 -0.07 1.13 0.11 -1.42 -1.03 114.38 114.13 1va1 h ARG 559 Ca 0.13 -0.02 -0.14 0.00 0.10 0.00 0.00 59.98 60.06 1va1 h ARG 559 Cb 0.59 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.60 1va1 h ARG 559 CO 0.04 0.17 -0.58 -1.49 0.10 0.00 0.00 179.97 178.20 1va1 h TRP 560 N 0.26 0.29 0.00 4.08 4.06 -1.56 -3.00 115.95 120.07 1va1 h TRP 560 Ca 0.11 -0.11 -0.12 0.00 2.06 0.00 0.00 58.89 60.83 1va1 h TRP 560 Cb 0.11 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.20 1va1 h TRP 560 CO -0.00 0.76 -0.57 0.45 -3.56 0.00 0.00 178.44 175.52 1va1 h HIS 561 N 0.17 0.00 -1.44 0.49 3.86 -1.13 -3.49 115.15 113.61 1va1 h HIS 561 Ca -0.00 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.26 1va1 h HIS 561 Cb 1.08 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.53 1va1 h HIS 561 CO 0.02 0.57 -0.07 0.25 0.86 0.00 0.00 177.93 179.55 1va1 n THR 562 N -3.67 0.00 -0.05 2.45 -2.24 -0.87 -4.14 114.28 105.77 1va1 n THR 562 Ca -0.01 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1va1 n THR 562 Cb 0.61 -0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.74 1va1 n THR 562 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1va1 h GLY 563 N -0.19 0.88 -3.43 3.38 0.00 -1.91 -3.50 103.07 98.30 1va1 h GLY 563 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 47.33 46.24 1va1 h GLY 563 CO 0.00 0.98 -0.81 1.18 0.00 0.00 0.00 176.54 177.90 1va1 n GLU 564 N -3.97 -4.35 0.00 4.80 1.02 -1.26 -5.26 120.64 111.62 1va1 n GLU 564 Ca -0.05 3.15 0.00 0.00 -0.02 0.00 0.00 57.16 60.24 1va1 n GLU 564 Cb 0.67 -3.49 0.00 0.00 -0.02 0.00 0.00 31.44 28.60 1va1 n GLU 564 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18