#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 -0.37 -3.79 6.12 3.32 -2.15 -3.45 116.42 116.11 1va1 h ASP 530 Ca 0.00 0.01 -0.51 0.00 0.02 0.00 0.00 57.03 56.55 1va1 h ASP 530 Cb 0.00 0.10 0.03 0.00 0.22 0.00 0.00 39.33 39.68 1va1 h ASP 530 CO 0.00 0.04 0.53 -2.16 -1.72 0.00 0.00 179.24 175.93 1va1 s PRO 531 N -2.97 4.55 0.00 3.56 0.04 -1.26 -4.99 135.00 133.93 1va1 s PRO 531 Ca -0.06 1.93 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1va1 s PRO 531 Cb 0.01 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.38 1va1 s PRO 531 CO 0.19 0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.71 1va1 n GLY 532 N 1.20 1.51 3.19 0.56 0.00 -1.26 -5.19 105.19 105.20 1va1 n GLY 532 Ca -0.00 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 1va1 n GLY 532 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1va1 s LYS 533 N 0.19 0.78 -0.20 1.61 3.01 -1.26 -5.15 119.74 118.71 1va1 s LYS 533 Ca 0.00 -0.86 -0.09 0.00 -1.01 0.00 0.00 55.97 54.01 1va1 s LYS 533 Cb 0.00 0.32 -0.05 0.00 -1.01 0.00 0.00 37.83 37.09 1va1 s LYS 533 CO 0.00 -0.24 0.11 0.21 0.51 0.00 0.00 175.35 175.95 1va1 s LYS 534 N -3.41 4.08 -0.39 1.68 2.47 -1.26 -5.07 119.74 117.85 1va1 s LYS 534 Ca 0.01 -0.28 -0.20 0.00 -1.56 0.00 0.00 55.97 53.94 1va1 s LYS 534 Cb 0.03 -3.37 0.01 0.00 -1.46 0.00 0.00 37.83 33.04 1va1 s LYS 534 CO -0.08 0.23 0.64 0.15 0.16 0.00 0.00 175.35 176.44 1va1 s LYS 535 N 0.53 3.52 0.39 4.03 -0.14 -1.26 -5.04 119.74 121.77 1va1 s LYS 535 Ca 0.06 -0.12 -0.26 0.00 -1.36 0.00 0.00 55.97 54.30 1va1 s LYS 535 Cb -0.12 -3.86 -0.09 0.00 -1.68 0.00 0.00 37.83 32.08 1va1 s LYS 535 CO 0.00 -0.84 1.18 -0.65 -0.76 0.00 0.00 175.35 174.28 1va1 s GLN 536 N 2.75 4.12 -0.68 1.68 -0.21 -1.26 -4.97 119.66 121.09 1va1 s GLN 536 Ca 0.24 1.87 -0.23 0.00 0.02 0.00 0.00 55.36 57.26 1va1 s GLN 536 Cb -0.14 -2.74 0.06 0.00 1.00 0.00 0.00 33.01 31.19 1va1 s GLN 536 CO 0.16 -0.27 1.02 -1.01 -2.12 0.00 0.00 175.29 173.07 1va1 s HIS 537 N -1.37 2.60 0.10 0.91 3.76 0.04 -4.94 115.29 116.39 1va1 s HIS 537 Ca 0.56 -0.46 0.07 0.00 -0.15 0.00 0.00 55.06 55.08 1va1 s HIS 537 Cb -0.32 -4.36 -0.04 0.00 1.11 0.00 0.00 32.58 28.98 1va1 s HIS 537 CO 0.40 -1.73 -0.13 0.42 -0.85 0.00 0.00 174.74 172.86 1va1 s ILE 538 N 4.37 3.20 -0.42 0.60 1.01 -1.26 -0.55 121.20 128.15 1va1 s ILE 538 Ca 0.24 -1.30 -0.27 0.00 0.00 0.00 0.00 60.65 59.32 1va1 s ILE 538 Cb -0.15 -2.48 -0.05 0.00 0.01 0.00 0.00 42.46 39.79 1va1 s ILE 538 CO 0.11 0.14 2.17 0.00 0.00 0.00 0.00 174.94 177.36 1va1 h HIS 540 N 16.63 0.12 -4.29 0.00 3.86 -1.97 -3.43 115.15 126.08 1va1 h HIS 540 Ca -0.30 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.39 1va1 h HIS 540 Cb 1.23 -0.04 0.16 0.00 1.06 0.00 0.00 27.41 29.82 1va1 h HIS 540 CO 0.97 0.06 0.28 0.42 0.86 0.00 0.00 177.93 180.52 1va1 s ILE 541 N -5.15 2.72 -0.36 2.45 1.01 -1.26 -4.92 121.20 115.69 1va1 s ILE 541 Ca -0.06 0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.83 1va1 s ILE 541 Cb 0.18 -2.51 0.32 0.00 0.01 0.00 0.00 42.46 40.46 1va1 s ILE 541 CO 0.70 -0.30 1.86 0.00 0.00 0.00 0.00 174.94 177.21 1va1 n GLN 542 N -3.80 1.93 -0.03 2.79 10.64 -1.26 -4.44 117.38 123.21 1va1 n GLN 542 Ca 0.10 -1.94 -0.02 0.00 -1.83 0.00 0.00 57.00 53.31 1va1 n GLN 542 Cb 0.52 -1.76 -0.01 0.00 -0.86 0.00 0.00 30.24 28.14 1va1 n GLN 542 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1va1 n GLY 543 N -0.15 -0.52 0.00 2.61 0.00 -1.26 -5.07 105.19 100.79 1va1 n GLY 543 Ca 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 1.88 0.31 0.00 0.00 -1.26 -4.82 105.19 106.30 1va1 n GLY 545 Ca 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.10 0.11 -4.19 1.61 2.85 -1.26 -4.97 118.16 111.21 1va1 n LYS 546 Ca -0.07 -0.18 -0.12 0.00 -1.05 0.00 0.00 58.31 56.89 1va1 n LYS 546 Cb 0.85 -0.09 -0.10 0.00 -0.65 0.00 0.00 35.03 35.04 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 -0.85 0.82 0.05 0.58 1.01 -1.26 -4.23 120.40 116.52 1va1 s VAL 547 Ca 0.06 -1.92 -0.23 0.00 0.00 0.00 0.00 61.98 59.88 1va1 s VAL 547 Cb -0.00 -1.67 0.06 0.00 0.00 0.00 0.00 36.38 34.76 1va1 s VAL 547 CO 0.04 -0.81 0.55 -0.31 0.00 0.00 0.00 175.10 174.57 1va1 s TYR 548 N -3.41 -0.46 -0.07 5.22 2.02 0.29 -4.99 117.35 115.95 1va1 s TYR 548 Ca 0.12 0.51 0.10 0.00 -0.37 0.00 0.00 57.07 57.43 1va1 s TYR 548 Cb 0.04 0.38 -0.15 0.00 -0.40 0.00 0.00 41.96 41.83 1va1 s TYR 548 CO -0.03 -0.67 0.11 0.41 -1.57 0.00 0.00 175.55 173.81 1va1 n GLY 549 N 0.35 -0.52 3.32 0.71 0.00 -1.26 -0.78 105.19 107.00 1va1 n GLY 549 Ca -0.18 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.45 2.31 0.49 1.61 2.47 -1.26 -4.86 119.74 118.06 1va1 s LYS 550 Ca -0.05 -0.89 0.20 0.00 -1.56 0.00 0.00 55.97 53.67 1va1 s LYS 550 Cb 0.05 -2.12 1.26 0.00 -1.46 0.00 0.00 37.83 35.56 1va1 s LYS 550 CO 0.45 0.50 2.06 1.79 0.16 0.00 0.00 175.35 180.31 1va1 h THR 551 N 4.67 0.87 -0.43 3.43 1.35 -2.00 -2.07 112.91 118.74 1va1 h THR 551 Ca -0.40 -0.47 0.12 0.00 -0.55 0.00 0.00 66.41 65.11 1va1 h THR 551 Cb 1.14 1.27 -0.02 0.00 -1.73 0.00 0.00 68.15 68.82 1va1 h THR 551 CO 0.48 0.13 0.34 -1.28 -0.25 0.00 0.00 175.52 174.93 1va1 h SER 552 N 0.00 0.00 0.90 5.36 0.87 -2.02 0.28 113.55 118.93 1va1 h SER 552 Ca -0.00 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.41 1va1 h SER 552 Cb 0.26 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1va1 h SER 552 CO 0.02 0.00 -0.69 0.45 -0.53 0.00 0.00 176.83 176.08 1va1 h HIS 553 N 0.00 0.00 -0.47 2.24 3.86 -1.80 -3.17 115.15 115.81 1va1 h HIS 553 Ca 0.20 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1va1 h HIS 553 Cb 0.87 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.32 1va1 h HIS 553 CO 0.00 0.69 0.29 -0.07 0.86 0.00 0.00 177.93 179.70 1va1 h LEU 554 N 0.00 0.56 -0.17 2.43 4.07 -0.53 -2.08 115.31 119.58 1va1 h LEU 554 Ca -0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1va1 h LEU 554 Cb 1.32 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.92 1va1 h LEU 554 CO 0.09 0.43 0.09 0.08 -1.08 0.00 0.00 178.44 178.04 1va1 h ARG 555 N 0.65 0.25 -0.40 1.13 0.11 -1.51 0.55 114.38 115.17 1va1 h ARG 555 Ca 0.17 -0.03 -0.03 0.00 0.10 0.00 0.00 59.98 60.19 1va1 h ARG 555 Cb -0.03 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 30.99 1va1 h ARG 555 CO -0.03 0.27 0.12 0.00 0.10 0.00 0.00 179.97 180.43 1va1 h ALA 556 N 0.96 1.46 0.05 0.08 0.00 -1.57 -1.54 119.26 118.70 1va1 h ALA 556 Ca 0.06 -0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.56 1va1 h ALA 556 Cb 0.11 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 17.75 1va1 h ALA 556 CO -0.01 0.40 -1.08 1.25 0.00 0.00 0.00 179.25 179.81 1va1 h HIS 557 N 0.57 1.00 -0.42 0.00 -0.00 -1.01 -3.19 115.15 112.09 1va1 h HIS 557 Ca 0.13 -0.58 -0.00 0.00 -0.00 0.00 0.00 60.37 59.93 1va1 h HIS 557 Cb 0.19 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.48 1va1 h HIS 557 CO 0.01 1.41 0.26 -0.07 -0.00 0.00 0.00 177.93 179.54 1va1 h LEU 558 N 0.30 0.50 -2.00 0.26 4.07 0.43 -1.94 115.31 116.92 1va1 h LEU 558 Ca -0.15 -0.04 0.03 0.00 0.08 0.00 0.00 57.88 57.79 1va1 h LEU 558 Cb 1.75 -0.13 -0.00 0.00 1.08 0.00 0.00 40.66 43.36 1va1 h LEU 558 CO 0.21 0.39 0.06 0.08 -1.08 0.00 0.00 178.44 178.11 1va1 h ARG 559 N 0.56 0.00 -0.07 1.13 0.11 -1.37 -0.65 114.38 114.08 1va1 h ARG 559 Ca 0.15 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.11 1va1 h ARG 559 Cb -0.02 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.05 1va1 h ARG 559 CO -0.03 0.00 -0.50 2.35 0.10 0.00 0.00 179.97 181.89 1va1 h TRP 560 N 0.00 0.22 -0.00 4.08 2.91 -1.34 -2.91 115.95 118.91 1va1 h TRP 560 Ca 0.04 -0.07 -0.14 0.00 1.13 0.00 0.00 58.89 59.85 1va1 h TRP 560 Cb 0.17 -0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 28.75 1va1 h TRP 560 CO 0.00 0.64 -0.66 0.45 -1.03 0.00 0.00 178.44 177.84 1va1 h HIS 561 N 0.15 0.00 0.00 2.65 3.86 -0.85 -3.46 115.15 117.50 1va1 h HIS 561 Ca 0.01 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1va1 h HIS 561 Cb 0.93 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.40 1va1 h HIS 561 CO 0.01 0.66 0.00 0.25 0.86 0.00 0.00 177.93 179.72 1va1 n THR 562 N -3.75 0.00 0.00 2.45 -2.24 -1.00 -4.00 114.28 105.74 1va1 n THR 562 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1va1 n THR 562 Cb 0.65 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 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 0.00 0.54 1.44 3.38 0.00 -1.26 -5.01 105.19 104.28 1va1 n GLY 563 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 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 -3.04 0.00 1.61 -0.58 -1.26 -5.18 120.64 112.20 1va1 n GLU 564 Ca 0.00 2.18 0.15 0.00 -0.42 0.00 0.00 57.16 59.06 1va1 n GLU 564 Cb 0.00 -3.65 0.68 0.00 -0.57 0.00 0.00 31.44 27.89 1va1 n GLU 564 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52