#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x04 s PRO 541 N 0.00 2.49 0.69 1.61 0.04 -1.26 -5.00 135.00 133.57 2x04 s PRO 541 Ca 0.00 1.80 -0.14 0.00 0.04 0.00 0.00 61.00 62.70 2x04 s PRO 541 Cb 0.00 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.68 2x04 s PRO 541 CO 0.00 -1.58 1.11 -0.51 0.04 0.00 0.00 177.00 176.07 2x04 s LEU 542 N -4.70 3.30 0.78 -3.56 1.43 -1.26 -5.01 118.68 109.67 2x04 s LEU 542 Ca 0.76 1.99 -0.11 0.00 -1.03 0.00 0.00 54.13 55.74 2x04 s LEU 542 Cb -0.30 -4.55 0.06 0.00 0.03 0.00 0.00 46.19 41.43 2x04 s LEU 542 CO 0.41 -1.78 1.10 -0.83 0.23 0.00 0.00 176.35 175.48 2x04 s GLY 543 N -2.71 1.74 0.41 -3.19 0.00 -1.26 -5.00 107.32 97.31 2x04 s GLY 543 Ca 0.66 0.35 -0.26 0.00 0.00 0.00 0.00 44.72 45.47 2x04 s GLY 543 CO 0.45 0.71 1.28 -0.45 0.00 0.00 0.00 173.10 175.08 2x04 s SER 544 N -3.19 6.33 -0.17 1.64 0.15 -1.26 -5.03 113.70 112.17 2x04 s SER 544 Ca 0.63 2.60 -0.01 0.00 0.70 0.00 0.00 55.95 59.86 2x04 s SER 544 Cb -0.18 -2.63 -0.01 0.00 -1.71 0.00 0.00 66.02 61.49 2x04 s SER 544 CO 0.55 -0.83 -0.12 -0.22 1.20 0.00 0.00 173.24 173.82 2x04 s LEU 545 N -2.46 2.65 0.35 3.45 2.96 -1.26 -5.10 118.68 119.26 2x04 s LEU 545 Ca 0.57 -0.42 0.08 0.00 -0.22 0.00 0.00 54.13 54.15 2x04 s LEU 545 Cb -0.37 -1.62 -0.05 0.00 0.50 0.00 0.00 46.19 44.65 2x04 s LEU 545 CO 0.47 0.07 0.10 0.42 -1.32 0.00 0.00 176.35 176.09 2x04 s THR 546 N 0.91 2.84 0.23 3.68 -4.23 -1.26 -5.01 115.64 112.79 2x04 s THR 546 Ca -0.03 -1.78 -0.08 0.00 -1.18 0.00 0.00 61.69 58.62 2x04 s THR 546 Cb -0.15 -2.92 0.20 0.00 1.34 0.00 0.00 72.50 70.96 2x04 s THR 546 CO -0.01 -0.17 1.89 0.00 -0.54 0.00 0.00 174.62 175.79 2x04 h ALA 547 N 1.62 1.08 -0.43 3.99 0.00 -2.00 -0.50 119.26 123.03 2x04 h ALA 547 Ca -0.43 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 2x04 h ALA 547 Cb 1.25 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2x04 h ALA 547 CO 0.65 0.45 -0.23 0.77 0.00 0.00 0.00 179.25 180.89 2x04 h SER 548 N 1.12 0.90 0.15 0.00 0.02 -1.98 -0.46 113.55 113.29 2x04 h SER 548 Ca 0.32 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2x04 h SER 548 Cb -0.09 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.21 2x04 h SER 548 CO -0.08 1.09 -0.07 0.24 -1.14 0.00 0.00 176.83 176.87 2x04 h MET 549 N 0.76 -0.19 -0.57 3.45 2.07 -1.91 -2.93 114.93 115.61 2x04 h MET 549 Ca 0.10 0.01 0.05 0.00 -2.07 0.00 0.00 59.70 57.80 2x04 h MET 549 Cb 0.77 0.04 -0.05 0.00 -1.87 0.00 0.00 31.60 30.49 2x04 h MET 549 CO 0.06 0.01 0.29 1.25 1.07 0.00 0.00 176.91 179.59 2x04 h LEU 550 N -0.36 0.41 -2.29 1.22 5.85 -1.00 -2.24 115.31 116.90 2x04 h LEU 550 Ca -0.02 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2x04 h LEU 550 Cb 0.29 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 2x04 h LEU 550 CO 0.03 0.27 -0.05 0.00 -0.34 0.00 0.00 178.44 178.36 2x04 h ALA 551 N 1.31 1.24 0.00 1.25 0.00 -1.03 -2.67 119.26 119.36 2x04 h ALA 551 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2x04 h ALA 551 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2x04 h ALA 551 CO -0.18 0.06 -0.08 0.66 0.00 0.00 0.00 179.25 179.71 2x04 h SER 552 N 0.00 0.00 -3.31 0.00 4.64 -1.21 -3.46 113.55 110.21 2x04 h SER 552 Ca -0.00 -0.01 -0.52 0.00 -0.47 0.00 0.00 61.79 60.79 2x04 h SER 552 Cb 0.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2x04 h SER 552 CO 0.01 0.01 -0.11 0.00 -0.87 0.00 0.00 176.83 175.86 2x04 s ALA 553 N -3.15 3.58 0.75 5.18 0.00 -1.01 -5.07 121.76 122.04 2x04 s ALA 553 Ca 0.09 -0.46 -0.15 0.00 0.00 0.00 0.00 51.96 51.43 2x04 s ALA 553 Cb 0.10 -2.37 0.04 0.00 0.00 0.00 0.00 23.12 20.88 2x04 s ALA 553 CO 0.64 0.27 1.12 -2.30 0.00 0.00 0.00 175.76 175.49 2x04 n PRO 554 N -0.81 0.46 -0.23 0.00 -0.02 -1.26 -4.66 135.00 128.48 2x04 n PRO 554 Ca -0.01 0.22 0.02 0.00 -2.02 0.00 0.00 63.50 61.71 2x04 n PRO 554 Cb 0.54 -2.37 0.14 0.00 -0.02 0.00 0.00 33.50 31.79 2x04 n PRO 554 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2x04 h PRO 555 N -0.43 0.46 -0.43 0.52 0.11 -1.97 -0.52 132.00 129.74 2x04 h PRO 555 Ca -0.47 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 2x04 h PRO 555 Cb 1.32 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2x04 h PRO 555 CO 0.47 0.30 -0.09 0.37 -0.21 0.00 0.00 178.00 178.85 2x04 h GLN 556 N 0.47 0.76 -0.62 1.05 -0.00 -2.00 -2.90 115.11 111.88 2x04 h GLN 556 Ca 0.36 -0.24 -0.09 0.00 -0.00 0.00 0.00 58.65 58.67 2x04 h GLN 556 Cb 0.46 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 27.85 2x04 h GLN 556 CO -0.33 0.83 0.03 1.49 0.00 0.00 0.00 178.83 180.86 2x04 h GLU 557 N 0.70 1.08 -0.69 1.69 4.57 -1.52 -1.38 114.58 119.02 2x04 h GLU 557 Ca 0.12 -0.33 0.06 0.00 -1.18 0.00 0.00 59.36 58.04 2x04 h GLU 557 Cb 0.56 -0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 28.99 2x04 h GLU 557 CO 0.03 1.03 0.39 1.96 -1.18 0.00 0.00 179.01 181.24 2x04 h GLN 558 N 0.98 0.69 -0.66 1.92 4.20 -1.03 0.88 115.11 122.10 2x04 h GLN 558 Ca 0.18 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 2x04 h GLN 558 Cb 0.52 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 2x04 h GLN 558 CO 0.03 0.46 0.15 0.87 -0.67 0.00 0.00 178.83 179.67 2x04 h LYS 559 N 0.71 1.04 -0.49 1.46 1.79 -1.25 -1.44 116.57 118.39 2x04 h LYS 559 Ca 0.31 -0.24 -0.05 0.00 -2.18 0.00 0.00 60.65 58.49 2x04 h LYS 559 Cb 0.20 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 2x04 h LYS 559 CO -0.19 0.93 0.12 0.37 -1.08 0.00 0.00 179.45 179.60 2x04 h GLN 560 N 0.99 0.79 -0.65 3.15 5.75 -0.55 0.15 115.11 124.74 2x04 h GLN 560 Ca 0.21 -0.19 0.03 0.00 -0.15 0.00 0.00 58.65 58.55 2x04 h GLN 560 Cb 0.36 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.76 2x04 h GLN 560 CO 0.00 0.77 0.40 0.52 -2.65 0.00 0.00 178.83 177.87 2x04 h MET 561 N 0.68 0.76 -0.24 1.69 2.86 -0.59 -1.09 114.93 119.00 2x04 h MET 561 Ca 0.15 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.63 2x04 h MET 561 Cb 0.33 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 2x04 h MET 561 CO 0.00 0.50 -0.30 -0.07 1.06 0.00 0.00 176.91 178.11 2x04 h LEU 562 N 0.78 0.68 -0.85 1.22 3.38 -1.06 -3.26 115.31 116.20 2x04 h LEU 562 Ca 0.27 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2x04 h LEU 562 Cb 0.04 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 2x04 h LEU 562 CO -0.11 1.04 0.41 1.23 0.09 0.00 0.00 178.44 181.10 2x04 h GLY 563 N 0.34 1.31 2.00 0.83 0.00 -0.46 0.01 103.07 107.09 2x04 h GLY 563 Ca 0.03 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 2x04 h GLY 563 CO 0.07 0.61 -0.12 0.83 0.00 0.00 0.00 176.54 177.93 2x04 h GLU 564 N 1.20 0.00 0.07 4.80 4.39 -1.26 -0.70 114.58 123.09 2x04 h GLU 564 Ca 0.29 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.65 2x04 h GLU 564 Cb 0.11 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 2x04 h GLU 564 CO -0.04 0.12 -1.89 0.54 -1.16 0.00 0.00 179.01 176.58 2x04 n ARG 565 N -4.19 0.71 -0.06 2.33 1.74 -0.92 -4.33 116.66 111.94 2x04 n ARG 565 Ca -0.02 0.27 -0.12 0.00 -0.77 0.00 0.00 57.85 57.20 2x04 n ARG 565 Cb 0.20 -1.74 -0.06 0.00 -1.02 0.00 0.00 32.46 29.84 2x04 n ARG 565 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2x04 h LEU 566 N 0.04 0.36 -0.24 0.55 3.38 -0.81 -3.36 115.31 115.23 2x04 h LEU 566 Ca -0.37 -0.42 0.06 0.00 0.09 0.00 0.00 57.88 57.24 2x04 h LEU 566 Cb 2.03 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 42.61 2x04 h LEU 566 CO 0.08 0.70 -0.22 0.15 0.09 0.00 0.00 178.44 179.24 2x04 h PHE 567 N 0.02 -0.59 -0.56 1.13 3.57 -1.32 -0.87 116.94 118.32 2x04 h PHE 567 Ca 0.04 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 2x04 h PHE 567 Cb 0.56 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.57 2x04 h PHE 567 CO 0.07 -0.30 0.27 -1.35 -2.23 0.00 0.00 178.31 174.77 2x04 h PRO 568 N -0.23 0.79 -0.29 6.41 0.11 -1.76 0.40 132.00 137.43 2x04 h PRO 568 Ca 0.14 -0.10 -0.12 0.00 0.11 0.00 0.00 66.00 66.03 2x04 h PRO 568 Cb 0.44 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.39 2x04 h PRO 568 CO -0.38 0.61 -0.28 -0.07 -0.21 0.00 0.00 178.00 177.67 2x04 h LEU 569 N 0.79 0.75 -0.57 2.35 3.38 -1.54 -2.19 115.31 118.28 2x04 h LEU 569 Ca 0.20 -0.47 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 2x04 h LEU 569 Cb 0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2x04 h LEU 569 CO -0.03 1.06 0.01 0.40 0.09 0.00 0.00 178.44 179.98 2x04 h ILE 570 N 0.44 1.26 -0.13 1.22 2.04 -0.76 -2.84 117.51 118.75 2x04 h ILE 570 Ca 0.05 -1.11 -0.04 0.00 1.00 0.00 0.00 64.86 64.76 2x04 h ILE 570 Cb 0.85 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 2x04 h ILE 570 CO 0.07 0.40 -0.08 -0.61 0.00 0.00 0.00 178.15 177.93 2x04 h GLN 571 N 0.88 0.19 -0.33 2.37 4.15 -0.16 0.32 115.11 122.52 2x04 h GLN 571 Ca 0.16 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.50 2x04 h GLN 571 Cb 0.53 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 2x04 h GLN 571 CO 0.03 0.29 0.01 0.00 -1.93 0.00 0.00 178.83 177.23 2x04 h ALA 572 N 1.74 1.40 0.11 3.38 0.00 -1.15 -2.64 119.26 122.10 2x04 h ALA 572 Ca 0.04 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.55 2x04 h ALA 572 Cb 0.27 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2x04 h ALA 572 CO 0.01 0.42 -1.00 0.52 0.00 0.00 0.00 179.25 179.20 2x04 h MET 573 N 0.49 0.24 -2.67 0.00 2.86 -1.05 -3.43 114.93 111.38 2x04 h MET 573 Ca 0.11 -0.41 -0.60 0.00 -2.06 0.00 0.00 59.70 56.74 2x04 h MET 573 Cb 0.30 0.15 -0.39 0.00 0.06 0.00 0.00 31.60 31.72 2x04 h MET 573 CO 0.01 1.20 -0.83 -1.01 1.06 0.00 0.00 176.91 177.33 2x04 s HIS 574 N -2.43 1.43 0.30 -0.22 3.76 0.97 -5.02 115.29 114.08 2x04 s HIS 574 Ca -0.17 -2.21 0.01 0.00 -0.15 0.00 0.00 55.06 52.54 2x04 s HIS 574 Cb 0.02 -1.34 0.55 0.00 1.11 0.00 0.00 32.58 32.92 2x04 s HIS 574 CO 0.78 -0.79 1.88 -1.35 -0.85 0.00 0.00 174.74 174.41 2x04 h PRO 575 N 6.38 0.98 0.19 8.40 0.11 -1.71 -0.37 132.00 145.98 2x04 h PRO 575 Ca 0.11 -0.06 -0.34 0.00 0.11 0.00 0.00 66.00 65.82 2x04 h PRO 575 Cb 0.92 -0.22 0.01 0.00 0.11 0.00 0.00 31.00 31.82 2x04 h PRO 575 CO 0.40 0.65 -1.69 1.15 -0.21 0.00 0.00 178.00 178.29 2x04 h THR 576 N 1.01 0.98 -0.01 -1.15 2.02 -1.95 -3.35 112.91 110.45 2x04 h THR 576 Ca 0.43 -2.51 0.00 0.00 0.77 0.00 0.00 66.41 65.10 2x04 h THR 576 Cb 0.33 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.52 2x04 h THR 576 CO -0.19 0.84 -0.06 0.18 0.37 0.00 0.00 175.52 176.67 2x04 n LEU 577 N -3.64 0.97 -0.21 2.58 4.77 -1.18 -4.50 117.00 115.79 2x04 n LEU 577 Ca -0.24 -0.28 -0.01 0.00 -0.03 0.00 0.00 56.01 55.45 2x04 n LEU 577 Cb 1.06 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 42.16 2x04 n LEU 577 CO 0.51 0.17 0.74 0.00 -1.33 0.00 0.00 177.39 177.48 2x04 h ALA 578 N 4.06 0.42 -0.55 -1.18 0.00 -1.21 0.12 119.26 120.93 2x04 h ALA 578 Ca 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2x04 h ALA 578 Cb 0.38 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2x04 h ALA 578 CO 0.00 -0.42 0.30 0.78 0.00 0.00 0.00 179.25 179.90 2x04 h GLY 579 N 0.00 0.82 0.77 0.00 0.00 -1.87 -0.17 103.07 102.62 2x04 h GLY 579 Ca 0.31 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 2x04 h GLY 579 CO -0.65 0.36 -0.05 0.50 0.00 0.00 0.00 176.54 176.70 2x04 h LYS 580 N 0.73 0.33 -0.36 4.80 1.57 -1.57 -2.15 116.57 119.93 2x04 h LYS 580 Ca 0.19 -0.13 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2x04 h LYS 580 Cb 0.06 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2x04 h LYS 580 CO -0.03 0.61 0.15 0.82 -0.57 0.00 0.00 179.45 180.43 2x04 h ILE 581 N 0.02 0.94 -0.59 1.86 2.04 -0.69 -1.33 117.51 119.76 2x04 h ILE 581 Ca 0.04 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2x04 h ILE 581 Cb 0.50 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 2x04 h ILE 581 CO 0.02 0.06 0.34 0.74 0.00 0.00 0.00 178.15 179.30 2x04 h THR 582 N 0.32 1.18 -0.76 -0.27 2.02 -1.00 -0.95 112.91 113.46 2x04 h THR 582 Ca 0.16 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 2x04 h THR 582 Cb 0.10 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 2x04 h THR 582 CO -0.14 0.20 0.38 1.23 0.37 0.00 0.00 175.52 177.56 2x04 h GLY 583 N 0.80 1.15 0.90 2.16 0.00 -1.15 -0.72 103.07 106.21 2x04 h GLY 583 Ca 0.21 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2x04 h GLY 583 CO -0.04 0.52 0.08 -0.33 0.00 0.00 0.00 176.54 176.78 2x04 h MET 584 N 1.07 0.28 -0.53 4.80 2.07 -0.61 -3.04 114.93 118.97 2x04 h MET 584 Ca 0.27 -0.05 -0.03 0.00 -2.07 0.00 0.00 59.70 57.82 2x04 h MET 584 Cb 0.08 -0.05 -0.03 0.00 -1.87 0.00 0.00 31.60 29.74 2x04 h MET 584 CO -0.04 0.33 0.20 -0.07 1.07 0.00 0.00 176.91 178.40 2x04 h LEU 585 N 0.16 0.70 -0.06 1.22 4.07 -0.90 -2.35 115.31 118.16 2x04 h LEU 585 Ca 0.06 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2x04 h LEU 585 Cb 0.15 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.71 2x04 h LEU 585 CO -0.01 0.64 0.00 0.18 -1.08 0.00 0.00 178.44 178.17 2x04 n LEU 586 N -4.33 0.04 0.24 1.67 4.77 -0.30 -1.73 117.00 117.35 2x04 n LEU 586 Ca 0.04 0.51 0.12 0.00 -0.03 0.00 0.00 56.01 56.65 2x04 n LEU 586 Cb 0.17 -0.51 0.56 0.00 -2.33 0.00 0.00 43.42 41.30 2x04 n LEU 586 CO 0.38 -0.38 0.87 -0.33 -1.33 0.00 0.00 177.39 176.61 2x04 h GLU 587 N 0.00 0.00 -7.06 3.23 4.39 -1.41 -3.46 114.58 110.26 2x04 h GLU 587 Ca 0.00 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.23 2x04 h GLU 587 Cb 0.15 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 28.88 2x04 h GLU 587 CO 0.00 0.16 0.08 0.96 -1.16 0.00 0.00 179.01 179.06 2x04 s ILE 588 N -3.75 2.19 0.33 3.13 -4.36 -0.71 -5.03 121.20 113.01 2x04 s ILE 588 Ca -0.00 -0.62 -0.29 0.00 -0.26 0.00 0.00 60.65 59.48 2x04 s ILE 588 Cb 0.11 -2.58 -0.11 0.00 1.25 0.00 0.00 42.46 41.13 2x04 s ILE 588 CO 0.61 0.00 1.54 -0.62 0.24 0.00 0.00 174.94 176.71 2x04 s ASP 589 N -4.70 6.37 0.35 4.36 2.15 -1.26 -4.85 116.67 119.09 2x04 s ASP 589 Ca 0.65 2.98 0.04 0.00 0.43 0.00 0.00 52.55 56.65 2x04 s ASP 589 Cb -0.06 -2.65 0.66 0.00 -0.30 0.00 0.00 42.92 40.57 2x04 s ASP 589 CO 0.43 -0.88 1.96 0.78 -0.17 0.00 0.00 175.17 177.29 2x04 h ASN 590 N 4.02 0.59 -0.39 -0.34 2.35 -1.95 -1.31 115.58 118.54 2x04 h ASN 590 Ca -0.49 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.15 2x04 h ASN 590 Cb 1.23 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.43 2x04 h ASN 590 CO 0.72 0.52 0.04 0.77 -1.65 0.00 0.00 177.43 177.83 2x04 h SER 591 N 0.65 0.70 -0.10 5.81 4.64 -1.99 -0.38 113.55 122.88 2x04 h SER 591 Ca 0.16 -0.15 -0.19 0.00 -0.47 0.00 0.00 61.79 61.15 2x04 h SER 591 Cb 0.10 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2x04 h SER 591 CO -0.02 0.75 -0.63 -0.08 -0.87 0.00 0.00 176.83 175.97 2x04 h GLU 592 N 0.71 0.72 -0.76 4.77 4.57 -1.75 -2.14 114.58 120.71 2x04 h GLU 592 Ca 0.15 -0.50 -0.04 0.00 -1.18 0.00 0.00 59.36 57.79 2x04 h GLU 592 Cb 0.37 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 2x04 h GLU 592 CO 0.01 1.12 0.33 -0.07 -1.18 0.00 0.00 179.01 179.23 2x04 h LEU 593 N 0.53 1.02 -0.62 1.64 3.38 -0.93 -0.91 115.31 119.41 2x04 h LEU 593 Ca -0.01 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 2x04 h LEU 593 Cb 1.22 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 2x04 h LEU 593 CO 0.13 0.89 0.23 0.25 0.09 0.00 0.00 178.44 180.03 2x04 h LEU 594 N 1.08 0.88 -0.79 1.67 5.85 -1.04 -1.52 115.31 121.43 2x04 h LEU 594 Ca 0.26 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.82 2x04 h LEU 594 Cb 0.17 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 2x04 h LEU 594 CO -0.03 0.82 0.51 -0.74 -0.34 0.00 0.00 178.44 178.66 2x04 h HIS 595 N 0.88 0.95 -0.73 1.25 2.76 -0.96 -1.92 115.15 117.38 2x04 h HIS 595 Ca 0.21 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.41 2x04 h HIS 595 Cb 0.24 -0.32 -0.04 0.00 1.55 0.00 0.00 27.41 28.84 2x04 h HIS 595 CO 0.01 0.56 0.48 0.52 -1.30 0.00 0.00 177.93 178.21 2x04 h MET 596 N 1.00 0.94 0.00 5.26 2.86 -0.73 -0.55 114.93 123.70 2x04 h MET 596 Ca 0.31 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.86 2x04 h MET 596 Cb -0.02 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.43 2x04 h MET 596 CO -0.10 0.62 -0.17 -0.07 1.06 0.00 0.00 176.91 178.25 2x04 h LEU 597 N 0.97 0.00 0.00 1.22 3.38 -0.68 -2.94 115.31 117.26 2x04 h LEU 597 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2x04 h LEU 597 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2x04 h LEU 597 CO -0.06 0.17 -0.86 -0.62 0.09 0.00 0.00 178.44 177.15 2x04 n GLU 598 N -3.42 0.18 -3.62 1.13 1.02 -0.44 -4.76 120.64 110.73 2x04 n GLU 598 Ca -0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 2x04 n GLU 598 Cb 0.36 -1.56 -0.14 0.00 -0.02 0.00 0.00 31.44 30.07 2x04 n GLU 598 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2x04 s SER 599 N -3.59 3.62 0.36 1.62 0.15 -0.35 -5.01 113.70 110.50 2x04 s SER 599 Ca 0.06 -1.77 0.14 0.00 0.70 0.00 0.00 55.95 55.08 2x04 s SER 599 Cb 0.15 -0.63 0.99 0.00 -1.71 0.00 0.00 66.02 64.82 2x04 s SER 599 CO 0.78 -0.38 1.76 -0.65 1.20 0.00 0.00 173.24 175.94 2x04 h PRO 600 N 7.80 0.48 -0.71 5.44 0.11 -1.86 0.12 132.00 143.38 2x04 h PRO 600 Ca -0.10 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 2x04 h PRO 600 Cb 0.99 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.96 2x04 h PRO 600 CO 0.42 0.32 0.40 1.49 -0.21 0.00 0.00 178.00 180.43 2x04 h GLU 601 N 0.50 0.99 -0.44 1.05 4.81 -1.95 -1.04 114.58 118.49 2x04 h GLU 601 Ca 0.61 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.66 2x04 h GLU 601 Cb 1.34 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 2x04 h GLU 601 CO -0.37 0.73 -0.01 1.03 -0.73 0.00 0.00 179.01 179.65 2x04 h SER 602 N 0.98 0.77 -0.41 1.04 0.87 -1.09 -2.39 113.55 113.32 2x04 h SER 602 Ca 0.25 -0.31 -0.04 0.00 -1.23 0.00 0.00 61.79 60.46 2x04 h SER 602 Cb 0.01 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 2x04 h SER 602 CO -0.04 0.89 0.09 0.25 -0.53 0.00 0.00 176.83 177.49 2x04 h LEU 603 N 0.62 0.63 -0.53 2.23 5.85 -1.16 -2.72 115.31 120.22 2x04 h LEU 603 Ca 0.12 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.64 2x04 h LEU 603 Cb 0.50 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 2x04 h LEU 603 CO 0.02 0.70 0.29 -0.09 -0.34 0.00 0.00 178.44 179.03 2x04 h ARG 604 N 0.52 0.55 -0.50 1.25 9.65 -1.16 0.47 114.38 125.16 2x04 h ARG 604 Ca 0.13 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 59.00 2x04 h ARG 604 Cb 0.33 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.75 2x04 h ARG 604 CO 0.00 0.36 0.30 1.03 2.80 0.00 0.00 179.97 184.47 2x04 h SER 605 N 0.57 0.49 -0.47 -3.80 0.87 -1.34 0.55 113.55 110.42 2x04 h SER 605 Ca 0.23 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.72 2x04 h SER 605 Cb 0.10 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 2x04 h SER 605 CO -0.14 0.35 0.02 0.11 -0.53 0.00 0.00 176.83 176.64 2x04 h LYS 606 N 0.61 0.82 -0.73 2.24 1.79 -1.15 -2.50 116.57 117.65 2x04 h LYS 606 Ca 0.20 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2x04 h LYS 606 Cb 0.01 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.54 2x04 h LYS 606 CO -0.09 0.86 0.47 0.28 -1.08 0.00 0.00 179.45 179.90 2x04 h VAL 607 N 0.68 1.19 -0.77 0.50 2.07 -0.53 -1.48 116.25 117.91 2x04 h VAL 607 Ca 0.14 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2x04 h VAL 607 Cb 0.48 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 2x04 h VAL 607 CO 0.02 0.19 0.44 0.44 0.02 0.00 0.00 177.57 178.68 2x04 h ASP 608 N 0.99 0.96 -0.41 0.57 3.32 -0.68 -0.62 116.42 120.54 2x04 h ASP 608 Ca 0.27 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 2x04 h ASP 608 Cb -0.09 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.20 2x04 h ASP 608 CO -0.06 0.77 0.07 -0.33 -1.72 0.00 0.00 179.24 177.98 2x04 h GLU 609 N 1.07 0.68 -0.72 3.56 5.08 -1.14 -1.81 114.58 121.30 2x04 h GLU 609 Ca 0.27 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 2x04 h GLU 609 Cb 0.01 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2x04 h GLU 609 CO -0.05 0.72 0.40 0.00 -1.00 0.00 0.00 179.01 179.08 2x04 h ALA 610 N 0.94 0.92 -0.21 3.43 0.00 -0.84 -1.76 119.26 121.73 2x04 h ALA 610 Ca 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2x04 h ALA 610 Cb 0.36 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2x04 h ALA 610 CO 0.01 0.43 0.05 0.28 0.00 0.00 0.00 179.25 180.03 2x04 h VAL 611 N 0.99 1.20 -0.64 0.00 2.07 -1.02 -0.72 116.25 118.14 2x04 h VAL 611 Ca 0.25 -0.65 0.10 0.00 0.82 0.00 0.00 66.70 67.22 2x04 h VAL 611 Cb 0.03 1.24 -0.08 0.00 -1.52 0.00 0.00 31.29 30.96 2x04 h VAL 611 CO -0.04 0.21 0.24 0.00 0.02 0.00 0.00 177.57 177.99 2x04 h ALA 612 N 0.87 0.83 -0.21 1.67 0.00 -1.17 0.31 119.26 121.57 2x04 h ALA 612 Ca 0.07 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2x04 h ALA 612 Cb 0.26 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2x04 h ALA 612 CO 0.00 -0.19 0.13 0.28 0.00 0.00 0.00 179.25 179.47 2x04 h VAL 613 N 0.41 1.06 -0.71 0.00 2.07 -1.11 -2.00 116.25 115.97 2x04 h VAL 613 Ca 0.33 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.68 2x04 h VAL 613 Cb 0.42 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2x04 h VAL 613 CO -0.33 0.06 0.23 -0.07 0.02 0.00 0.00 177.57 177.47 2x04 h LEU 614 N 0.27 1.03 -0.83 2.57 3.38 -0.43 -2.50 115.31 118.80 2x04 h LEU 614 Ca 0.08 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 2x04 h LEU 614 Cb -0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 2x04 h LEU 614 CO -0.02 0.96 -0.18 1.56 0.09 0.00 0.00 178.44 180.85 2x04 h GLN 615 N 1.04 0.68 -0.57 1.13 4.20 -0.33 -1.27 115.11 119.98 2x04 h GLN 615 Ca 0.23 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 2x04 h GLN 615 Cb 0.30 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 2x04 h GLN 615 CO -0.01 0.82 0.06 0.00 -0.67 0.00 0.00 178.83 179.03 2x04 h ALA 616 N 1.20 1.02 0.00 3.87 0.00 -1.20 -2.83 119.26 121.32 2x04 h ALA 616 Ca 0.09 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2x04 h ALA 616 Cb 0.64 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2x04 h ALA 616 CO 0.05 0.62 -0.52 0.45 0.00 0.00 0.00 179.25 179.84 2x04 h HIS 617 N 0.89 0.00 -0.03 0.00 3.86 -1.13 -3.52 115.15 115.22 2x04 h HIS 617 Ca 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 2x04 h HIS 617 Cb 0.44 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.91 2x04 h HIS 617 CO 0.03 0.52 0.00 1.04 0.86 0.00 0.00 177.93 180.38