#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kut s PRO 544 N 0.00 3.73 -0.13 4.33 0.02 -1.26 -4.98 135.00 136.71 3kut s PRO 544 Ca 0.00 2.36 -0.04 0.00 0.02 0.00 0.00 61.00 63.34 3kut s PRO 544 Cb 0.00 -2.66 -0.03 0.00 0.02 0.00 0.00 34.50 31.82 3kut s PRO 544 CO 0.00 -0.77 0.02 -1.17 -0.33 0.00 0.00 177.00 174.75 3kut s LEU 545 N -2.69 3.61 0.23 -5.54 2.96 -1.26 -5.11 118.68 110.88 3kut s LEU 545 Ca 0.60 0.08 0.09 0.00 -0.22 0.00 0.00 54.13 54.69 3kut s LEU 545 Cb -0.43 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 3kut s LEU 545 CO 0.55 0.28 0.00 0.42 -1.32 0.00 0.00 176.35 176.28 3kut s THR 546 N -0.28 3.59 0.38 3.68 -4.23 -1.26 -5.01 115.64 112.50 3kut s THR 546 Ca 0.07 -1.70 0.07 0.00 -1.18 0.00 0.00 61.69 58.94 3kut s THR 546 Cb -0.12 -2.87 0.28 0.00 1.34 0.00 0.00 72.50 71.13 3kut s THR 546 CO 0.02 -0.27 2.00 0.00 -0.54 0.00 0.00 174.62 175.83 3kut h ALA 547 N 2.20 1.72 -0.55 3.99 0.00 -2.00 -2.19 119.26 122.43 3kut h ALA 547 Ca -0.46 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 3kut h ALA 547 Cb 1.23 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3kut h ALA 547 CO 0.59 0.21 0.23 1.03 0.00 0.00 0.00 179.25 181.31 3kut h SER 548 N 0.68 0.72 -0.54 0.00 0.87 -1.95 -0.71 113.55 112.62 3kut h SER 548 Ca 0.25 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 3kut h SER 548 Cb 0.14 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 3kut h SER 548 CO -0.07 0.64 0.28 0.24 -0.53 0.00 0.00 176.83 177.38 3kut h MET 549 N 0.79 0.76 -0.21 2.24 2.07 -1.80 -2.99 114.93 115.78 3kut h MET 549 Ca 0.19 -0.10 -0.09 0.00 -2.07 0.00 0.00 59.70 57.63 3kut h MET 549 Cb 0.14 -0.14 -0.01 0.00 -1.87 0.00 0.00 31.60 29.71 3kut h MET 549 CO -0.02 0.61 -0.27 -0.07 1.07 0.00 0.00 176.91 178.23 3kut h LEU 550 N 0.72 0.40 -9.56 1.22 3.38 -1.28 -3.45 115.31 106.75 3kut h LEU 550 Ca 0.19 -0.14 -0.58 0.00 0.09 0.00 0.00 57.88 57.44 3kut h LEU 550 Cb 0.08 -0.11 0.07 0.00 0.09 0.00 0.00 40.66 40.80 3kut h LEU 550 CO -0.03 0.67 0.70 0.00 0.09 0.00 0.00 178.44 179.88 3kut n ALA 551 N -2.48 1.28 -0.88 1.53 0.00 -0.33 -2.43 120.51 117.19 3kut n ALA 551 Ca -0.01 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3kut n ALA 551 Cb 0.40 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.54 3kut n ALA 551 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kut n SER 552 N 2.67 -3.29 -4.89 0.00 3.41 -1.26 -4.98 113.62 105.28 3kut n SER 552 Ca 0.14 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.44 3kut n SER 552 Cb 0.31 -2.25 -0.05 0.00 -0.26 0.00 0.00 64.21 61.96 3kut n SER 552 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kut s ALA 553 N -1.54 3.61 0.37 7.33 0.00 -1.02 -5.01 121.76 125.49 3kut s ALA 553 Ca 0.00 -0.40 -0.28 0.00 0.00 0.00 0.00 51.96 51.28 3kut s ALA 553 Cb 0.00 -2.36 -0.11 0.00 0.00 0.00 0.00 23.12 20.65 3kut s ALA 553 CO 0.00 0.44 1.46 -2.30 0.00 0.00 0.00 175.76 175.36 3kut n PRO 554 N -0.37 2.59 -0.34 0.00 -0.02 -1.26 -4.69 135.00 130.90 3kut n PRO 554 Ca -0.01 0.91 0.18 0.00 -2.02 0.00 0.00 63.50 62.56 3kut n PRO 554 Cb 0.53 -2.62 0.39 0.00 -0.02 0.00 0.00 33.50 31.78 3kut n PRO 554 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kut h PRO 555 N 2.95 0.52 -0.49 0.52 0.11 -1.95 0.18 132.00 133.84 3kut h PRO 555 Ca -0.50 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 3kut h PRO 555 Cb 1.25 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3kut h PRO 555 CO 0.64 0.34 0.18 1.96 -0.21 0.00 0.00 178.00 180.91 3kut h GLN 556 N 0.53 0.72 0.00 1.05 4.20 -2.00 -1.84 115.11 117.77 3kut h GLN 556 Ca 0.65 -0.11 -0.16 0.00 0.06 0.00 0.00 58.65 59.09 3kut h GLN 556 Cb 1.25 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 3kut h GLN 556 CO -0.50 0.61 -0.76 0.93 -0.67 0.00 0.00 178.83 178.44 3kut h GLU 557 N 0.71 0.00 -0.83 1.46 5.08 -1.09 -2.24 114.58 117.67 3kut h GLU 557 Ca 0.17 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3kut h GLU 557 Cb 0.17 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 3kut h GLU 557 CO -0.01 0.76 0.50 1.96 -1.00 0.00 0.00 179.01 181.22 3kut h GLN 558 N 0.00 1.13 -0.49 2.33 4.20 -0.38 -0.06 115.11 121.83 3kut h GLN 558 Ca -0.01 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.55 3kut h GLN 558 Cb 1.51 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 3kut h GLN 558 CO 0.10 0.79 0.11 0.87 -0.67 0.00 0.00 178.83 180.03 3kut h LYS 559 N 1.14 0.79 -0.61 1.46 1.79 -1.22 -1.10 116.57 118.83 3kut h LYS 559 Ca 0.30 -0.20 0.01 0.00 -2.18 0.00 0.00 60.65 58.58 3kut h LYS 559 Cb -0.05 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.47 3kut h LYS 559 CO -0.06 0.77 0.40 0.37 -1.08 0.00 0.00 179.45 179.86 3kut h GLN 560 N 0.68 0.80 -0.27 3.15 5.75 -1.04 0.14 115.11 124.31 3kut h GLN 560 Ca 0.15 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.61 3kut h GLN 560 Cb 0.34 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.70 3kut h GLN 560 CO 0.00 0.53 0.16 1.98 -2.65 0.00 0.00 178.83 178.86 3kut h MET 561 N 0.82 0.32 -0.46 1.69 4.05 -0.71 0.46 114.93 121.11 3kut h MET 561 Ca 0.22 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.57 3kut h MET 561 Cb -0.09 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.62 3kut h MET 561 CO -0.05 0.21 0.09 -0.07 0.23 0.00 0.00 176.91 177.32 3kut h LEU 562 N 0.33 0.72 -0.97 3.39 3.38 -1.06 -3.06 115.31 118.05 3kut h LEU 562 Ca 0.11 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3kut h LEU 562 Cb -0.01 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 3kut h LEU 562 CO -0.05 0.79 0.59 1.23 0.09 0.00 0.00 178.44 181.10 3kut h GLY 563 N 0.63 1.39 1.80 0.83 0.00 -0.28 -0.67 103.07 106.77 3kut h GLY 563 Ca 0.14 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 3kut h GLY 563 CO 0.01 0.55 0.08 0.83 0.00 0.00 0.00 176.54 178.00 3kut h GLU 564 N 1.32 0.26 0.16 4.80 4.39 -0.81 0.86 114.58 125.56 3kut h GLU 564 Ca 0.35 -0.02 -0.33 0.00 0.34 0.00 0.00 59.36 59.69 3kut h GLU 564 Cb -0.08 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 3kut h GLU 564 CO -0.07 0.22 -1.65 0.00 -1.16 0.00 0.00 179.01 176.35 3kut h ARG 565 N 0.27 0.33 -0.18 2.33 2.47 -1.38 -3.37 114.38 114.85 3kut h ARG 565 Ca 0.07 -0.57 -0.17 0.00 -1.26 0.00 0.00 59.98 58.04 3kut h ARG 565 Cb 0.05 0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 28.58 3kut h ARG 565 CO -0.01 1.22 -0.60 -0.07 0.56 0.00 0.00 179.97 181.07 3kut h LEU 566 N 0.09 0.68 -0.32 3.04 3.38 -0.96 -3.38 115.31 117.86 3kut h LEU 566 Ca -0.30 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.33 3kut h LEU 566 Cb 2.07 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 42.57 3kut h LEU 566 CO 0.17 1.13 0.04 0.15 0.09 0.00 0.00 178.44 180.02 3kut h PHE 567 N 0.45 0.06 -0.21 1.13 3.57 -0.98 -0.67 116.94 120.29 3kut h PHE 567 Ca -0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3kut h PHE 567 Cb 1.17 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 3kut h PHE 567 CO 0.05 -0.01 0.06 -1.35 -2.23 0.00 0.00 178.31 174.83 3kut h PRO 568 N 0.14 0.30 -0.03 6.41 0.11 -1.77 0.28 132.00 137.44 3kut h PRO 568 Ca 0.15 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.20 3kut h PRO 568 Cb 0.18 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.23 3kut h PRO 568 CO -0.22 0.27 -0.07 -0.07 -0.21 0.00 0.00 178.00 177.70 3kut h LEU 569 N 0.30 0.11 -0.92 2.35 3.38 -1.53 -1.77 115.31 117.22 3kut h LEU 569 Ca 0.07 -0.60 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 3kut h LEU 569 Cb 0.11 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3kut h LEU 569 CO -0.00 0.69 0.38 0.40 0.09 0.00 0.00 178.44 180.00 3kut h ILE 570 N -0.46 1.25 -0.56 1.22 2.04 -0.81 -2.28 117.51 117.90 3kut h ILE 570 Ca -0.00 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 3kut h ILE 570 Cb 0.68 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3kut h ILE 570 CO 0.02 0.30 0.20 -0.61 0.00 0.00 0.00 178.15 178.06 3kut h GLN 571 N 1.14 0.83 -0.76 2.37 4.15 -0.47 -0.14 115.11 122.24 3kut h GLN 571 Ca 0.28 -0.14 -0.05 0.00 0.77 0.00 0.00 58.65 59.51 3kut h GLN 571 Cb 0.12 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.64 3kut h GLN 571 CO -0.03 0.70 0.28 0.00 -1.93 0.00 0.00 178.83 177.85 3kut h ALA 572 N 1.40 1.08 -0.17 3.38 0.00 -0.77 -1.52 119.26 122.66 3kut h ALA 572 Ca 0.19 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3kut h ALA 572 Cb 0.20 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kut h ALA 572 CO -0.01 0.65 -0.23 0.52 0.00 0.00 0.00 179.25 180.17 3kut h MET 573 N 1.10 0.45 -2.09 0.00 2.86 -0.94 -3.40 114.93 112.92 3kut h MET 573 Ca 0.25 -0.26 -0.52 0.00 -2.06 0.00 0.00 59.70 57.11 3kut h MET 573 Cb 0.23 0.02 -0.35 0.00 0.06 0.00 0.00 31.60 31.57 3kut h MET 573 CO -0.02 0.85 -0.91 0.72 1.06 0.00 0.00 176.91 178.61 3kut n HIS 574 N -4.44 -1.35 -0.32 -0.22 8.25 -0.12 -5.01 115.22 112.01 3kut n HIS 574 Ca -0.06 -3.02 0.17 0.00 -0.26 0.00 0.00 57.72 54.54 3kut n HIS 574 Cb 0.43 0.40 0.41 0.00 1.12 0.00 0.00 29.99 32.35 3kut n HIS 574 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3kut h PRO 575 N 5.35 0.58 0.00 -0.41 0.11 -1.50 -1.58 132.00 134.54 3kut h PRO 575 Ca 0.21 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3kut h PRO 575 Cb 0.94 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3kut h PRO 575 CO 0.33 0.38 0.00 0.25 -0.21 0.00 0.00 178.00 178.75 3kut n THR 576 N -4.69 0.36 -0.03 -1.15 -2.24 -1.26 -3.52 114.28 101.75 3kut n THR 576 Ca 0.23 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 3kut n THR 576 Cb 0.68 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 3kut n THR 576 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kut n LEU 577 N -1.79 1.77 -0.03 3.22 4.77 -0.64 -4.88 117.00 119.42 3kut n LEU 577 Ca 0.06 -1.77 -0.09 0.00 -0.03 0.00 0.00 56.01 54.17 3kut n LEU 577 Cb 0.34 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 3kut n LEU 577 CO 0.26 0.44 0.88 0.00 -1.33 0.00 0.00 177.39 177.64 3kut h ALA 578 N 0.00 0.16 -0.65 -1.18 0.00 -1.47 0.55 119.26 116.66 3kut h ALA 578 Ca 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3kut h ALA 578 Cb 0.43 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3kut h ALA 578 CO 0.00 -0.42 0.20 0.78 0.00 0.00 0.00 179.25 179.81 3kut h GLY 579 N 0.08 1.09 0.60 0.00 0.00 -1.89 -1.30 103.07 101.65 3kut h GLY 579 Ca 0.08 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.72 3kut h GLY 579 CO -0.11 0.61 -0.10 1.70 0.00 0.00 0.00 176.54 178.64 3kut h LYS 580 N 0.94 0.18 -0.70 4.80 1.63 -1.80 -1.52 116.57 120.10 3kut h LYS 580 Ca 0.21 -0.11 -0.05 0.00 -0.85 0.00 0.00 60.65 59.85 3kut h LYS 580 Cb 0.30 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.91 3kut h LYS 580 CO -0.01 0.67 0.26 0.82 -3.45 0.00 0.00 179.45 177.74 3kut h ILE 581 N -0.28 1.25 -0.60 2.00 1.08 -0.91 -0.82 117.51 119.23 3kut h ILE 581 Ca 0.01 -0.82 -0.02 0.00 -0.39 0.00 0.00 64.86 63.64 3kut h ILE 581 Cb 0.65 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.83 3kut h ILE 581 CO 0.02 0.32 0.31 0.74 -0.69 0.00 0.00 178.15 178.86 3kut h THR 582 N 1.01 1.20 -1.00 -0.27 2.02 -1.23 -1.01 112.91 113.63 3kut h THR 582 Ca 0.23 -0.53 0.03 0.00 0.77 0.00 0.00 66.41 66.91 3kut h THR 582 Cb 0.25 0.45 -0.06 0.00 -1.74 0.00 0.00 68.15 67.06 3kut h THR 582 CO -0.01 0.22 0.65 1.23 0.37 0.00 0.00 175.52 177.98 3kut h GLY 583 N 0.81 1.44 0.88 2.16 0.00 -0.81 -1.00 103.07 106.55 3kut h GLY 583 Ca 0.21 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 3kut h GLY 583 CO -0.03 0.45 0.07 -0.33 0.00 0.00 0.00 176.54 176.71 3kut h MET 584 N 1.29 0.37 -0.04 4.80 2.07 -0.69 -3.05 114.93 119.67 3kut h MET 584 Ca 0.39 -0.08 -0.06 0.00 -2.07 0.00 0.00 59.70 57.88 3kut h MET 584 Cb -0.05 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 29.62 3kut h MET 584 CO -0.11 0.45 -0.24 -0.07 1.07 0.00 0.00 176.91 178.01 3kut h LEU 585 N 0.22 0.07 -0.97 1.22 4.07 -0.76 -2.81 115.31 116.35 3kut h LEU 585 Ca 0.08 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.02 3kut h LEU 585 Cb 0.24 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.96 3kut h LEU 585 CO -0.00 0.32 0.00 -0.07 -1.08 0.00 0.00 178.44 177.60 3kut h LEU 586 N 0.07 0.00 -0.36 1.67 3.38 -1.08 -1.00 115.31 117.99 3kut h LEU 586 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kut h LEU 586 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3kut h LEU 586 CO 0.03 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.94 3kut n GLU 587 N -2.29 0.20 -1.98 1.13 1.02 -1.06 -4.83 120.64 112.83 3kut n GLU 587 Ca 0.01 0.31 -0.34 0.00 -0.02 0.00 0.00 57.16 57.12 3kut n GLU 587 Cb 0.18 -1.81 0.03 0.00 -0.02 0.00 0.00 31.44 29.81 3kut n GLU 587 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3kut s ILE 588 N -3.20 3.14 0.36 -3.67 1.01 -0.38 -4.96 121.20 113.49 3kut s ILE 588 Ca 0.07 0.62 -0.27 0.00 0.00 0.00 0.00 60.65 61.07 3kut s ILE 588 Cb 0.11 -3.17 -0.12 0.00 0.01 0.00 0.00 42.46 39.29 3kut s ILE 588 CO 0.47 -0.24 1.19 0.47 0.00 0.00 0.00 174.94 176.82 3kut n ASP 589 N -1.89 2.20 -0.08 3.58 9.92 -1.26 -4.78 116.55 124.24 3kut n ASP 589 Ca 0.11 1.16 0.09 0.00 -0.53 0.00 0.00 54.79 55.62 3kut n ASP 589 Cb 0.51 -1.43 0.45 0.00 -0.64 0.00 0.00 41.12 40.02 3kut n ASP 589 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 3kut h ASN 590 N 2.20 0.45 -0.77 -2.24 -0.26 -1.93 -1.67 115.58 111.36 3kut h ASN 590 Ca -0.45 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.24 3kut h ASN 590 Cb 1.30 -0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 38.44 3kut h ASN 590 CO 0.61 0.29 0.28 0.77 -1.06 0.00 0.00 177.43 178.31 3kut h SER 591 N 0.51 1.09 -0.18 5.81 4.64 -2.00 0.63 113.55 124.05 3kut h SER 591 Ca 0.25 -0.19 -0.15 0.00 -0.47 0.00 0.00 61.79 61.23 3kut h SER 591 Cb 0.33 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 3kut h SER 591 CO -0.07 0.99 -0.44 -0.08 -0.87 0.00 0.00 176.83 176.36 3kut h GLU 592 N 1.14 0.74 -0.66 4.77 4.81 -1.69 -2.44 114.58 121.24 3kut h GLU 592 Ca 0.25 -0.41 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 3kut h GLU 592 Cb 0.26 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 3kut h GLU 592 CO -0.01 1.03 0.30 -0.07 -0.73 0.00 0.00 179.01 179.52 3kut h LEU 593 N 0.59 0.89 -0.94 1.64 3.38 -0.80 -0.94 115.31 119.13 3kut h LEU 593 Ca 0.04 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.89 3kut h LEU 593 Cb 1.00 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 3kut h LEU 593 CO 0.09 0.79 0.62 -0.07 0.09 0.00 0.00 178.44 179.96 3kut h LEU 594 N 0.93 1.04 -0.67 1.67 3.38 -0.77 -1.61 115.31 119.27 3kut h LEU 594 Ca 0.23 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.05 3kut h LEU 594 Cb 0.15 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3kut h LEU 594 CO -0.03 0.73 -0.40 0.45 0.09 0.00 0.00 178.44 179.28 3kut h HIS 595 N 1.22 0.68 -0.36 1.13 3.86 -1.03 -2.50 115.15 118.15 3kut h HIS 595 Ca 0.36 -0.20 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 3kut h HIS 595 Cb -0.05 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.26 3kut h HIS 595 CO -0.01 0.88 0.12 0.52 0.86 0.00 0.00 177.93 180.31 3kut h MET 596 N 0.47 0.51 0.00 2.45 2.86 -0.62 -0.63 114.93 119.97 3kut h MET 596 Ca 0.04 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 3kut h MET 596 Cb 0.90 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.47 3kut h MET 596 CO 0.08 0.44 0.00 -0.07 1.06 0.00 0.00 176.91 178.42 3kut h LEU 597 N 0.51 0.00 -0.82 1.22 3.38 -0.85 -2.55 115.31 116.20 3kut h LEU 597 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3kut h LEU 597 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3kut h LEU 597 CO -0.01 0.00 -0.31 -0.62 0.09 0.00 0.00 178.44 177.59 3kut n GLU 598 N -2.73 1.82 -3.68 1.13 -0.58 -0.36 -4.85 120.64 111.39 3kut n GLU 598 Ca -0.00 -0.72 -0.30 0.00 -0.42 0.00 0.00 57.16 55.72 3kut n GLU 598 Cb 0.19 -1.21 -0.13 0.00 -0.57 0.00 0.00 31.44 29.72 3kut n GLU 598 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3kut s SER 599 N -1.75 3.65 0.28 1.62 0.15 -0.52 -5.00 113.70 112.12 3kut s SER 599 Ca 0.12 -2.27 0.01 0.00 0.70 0.00 0.00 55.95 54.50 3kut s SER 599 Cb 0.11 -0.88 0.57 0.00 -1.71 0.00 0.00 66.02 64.11 3kut s SER 599 CO 0.36 -0.32 1.80 -0.65 1.20 0.00 0.00 173.24 175.64 3kut h PRO 600 N 7.16 0.81 -0.54 5.44 0.11 -1.89 -1.14 132.00 141.95 3kut h PRO 600 Ca -0.03 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.95 3kut h PRO 600 Cb 0.96 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 3kut h PRO 600 CO 0.44 0.54 0.03 0.93 -0.21 0.00 0.00 178.00 179.73 3kut h GLU 601 N 0.84 0.91 -0.44 1.05 5.08 -1.94 0.77 114.58 120.84 3kut h GLU 601 Ca 0.50 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 3kut h GLU 601 Cb 0.61 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3kut h GLU 601 CO -0.31 0.88 0.12 0.77 -1.00 0.00 0.00 179.01 179.47 3kut h SER 602 N 0.85 0.65 -0.56 1.42 0.02 -1.66 -0.61 113.55 113.66 3kut h SER 602 Ca 0.16 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 3kut h SER 602 Cb 0.46 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 3kut h SER 602 CO 0.02 0.70 0.28 0.25 -1.14 0.00 0.00 176.83 176.94 3kut h LEU 603 N 0.57 0.73 -0.66 5.07 5.85 -1.01 -1.77 115.31 124.09 3kut h LEU 603 Ca 0.14 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3kut h LEU 603 Cb 0.29 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3kut h LEU 603 CO -0.00 0.64 0.43 -0.09 -0.34 0.00 0.00 178.44 179.08 3kut h ARG 604 N 0.76 0.85 -0.49 1.25 9.65 -0.58 0.46 114.38 126.28 3kut h ARG 604 Ca 0.19 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 59.01 3kut h ARG 604 Cb 0.10 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.47 3kut h ARG 604 CO -0.03 0.56 0.25 0.77 2.80 0.00 0.00 179.97 184.33 3kut h SER 605 N 0.88 0.62 -0.25 -3.80 0.02 -0.87 -0.44 113.55 109.72 3kut h SER 605 Ca 0.25 -0.11 -0.18 0.00 -0.84 0.00 0.00 61.79 60.91 3kut h SER 605 Cb -0.08 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.30 3kut h SER 605 CO -0.06 0.56 -0.52 0.50 -1.14 0.00 0.00 176.83 176.16 3kut h LYS 606 N 0.65 0.84 -0.53 3.45 1.63 -0.90 -1.97 116.57 119.73 3kut h LYS 606 Ca 0.17 -0.51 -0.04 0.00 -0.85 0.00 0.00 60.65 59.41 3kut h LYS 606 Cb 0.08 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 3kut h LYS 606 CO -0.02 1.15 0.16 0.28 -3.45 0.00 0.00 179.45 177.57 3kut h VAL 607 N 0.65 1.23 -0.80 2.00 2.07 -0.83 -0.54 116.25 120.02 3kut h VAL 607 Ca 0.02 -0.79 0.08 0.00 0.82 0.00 0.00 66.70 66.83 3kut h VAL 607 Cb 1.12 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.57 3kut h VAL 607 CO 0.11 0.29 0.47 0.44 0.02 0.00 0.00 177.57 178.90 3kut h ASP 608 N 0.73 0.69 -0.07 0.57 3.32 -0.91 -0.31 116.42 120.43 3kut h ASP 608 Ca 0.17 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 3kut h ASP 608 Cb 0.28 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 3kut h ASP 608 CO -0.00 0.41 0.03 -0.08 -1.72 0.00 0.00 179.24 177.88 3kut h GLU 609 N 0.81 0.11 -0.91 3.56 4.81 -1.04 -2.33 114.58 119.59 3kut h GLU 609 Ca 0.37 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.61 3kut h GLU 609 Cb 0.28 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.59 3kut h GLU 609 CO -0.22 0.24 0.59 0.00 -0.73 0.00 0.00 179.01 178.90 3kut h ALA 610 N 0.86 1.20 -0.57 2.92 0.00 -0.60 -0.74 119.26 122.34 3kut h ALA 610 Ca 0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3kut h ALA 610 Cb 0.17 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3kut h ALA 610 CO -0.00 0.47 0.20 0.28 0.00 0.00 0.00 179.25 180.20 3kut h VAL 611 N 1.16 1.23 -0.60 0.00 2.07 -0.97 0.15 116.25 119.30 3kut h VAL 611 Ca 0.36 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 3kut h VAL 611 Cb -0.01 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 3kut h VAL 611 CO -0.11 0.29 0.13 0.00 0.02 0.00 0.00 177.57 177.89 3kut h ALA 612 N 1.06 0.79 -0.28 1.67 0.00 -1.00 -0.43 119.26 121.05 3kut h ALA 612 Ca 0.19 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3kut h ALA 612 Cb 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3kut h ALA 612 CO -0.01 0.51 -0.15 0.28 0.00 0.00 0.00 179.25 179.88 3kut h VAL 613 N 0.87 1.30 -0.17 0.00 2.07 -0.90 -2.04 116.25 117.38 3kut h VAL 613 Ca 0.19 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 3kut h VAL 613 Cb 0.37 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3kut h VAL 613 CO 0.00 0.40 0.06 0.25 0.02 0.00 0.00 177.57 178.31 3kut h LEU 614 N 0.34 0.24 -0.64 2.57 5.85 -0.57 -1.37 115.31 121.73 3kut h LEU 614 Ca 0.06 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 3kut h LEU 614 Cb 0.67 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 3kut h LEU 614 CO 0.04 0.35 0.30 1.56 -0.34 0.00 0.00 178.44 180.36 3kut h GLN 615 N 0.12 0.93 -0.53 1.25 4.20 -1.07 -0.32 115.11 119.68 3kut h GLN 615 Ca 0.06 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.55 3kut h GLN 615 Cb 0.19 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3kut h GLN 615 CO -0.00 0.75 0.03 0.00 -0.67 0.00 0.00 178.83 178.93 3kut h ALA 616 N 1.13 1.05 -0.04 3.87 0.00 -1.28 -0.18 119.26 123.80 3kut h ALA 616 Ca 0.22 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kut h ALA 616 Cb 0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3kut h ALA 616 CO -0.03 0.60 0.01 1.25 0.00 0.00 0.00 179.25 181.08 3kut h HIS 617 N 0.83 0.07 -0.74 0.00 -0.00 -0.83 -0.82 115.15 113.67 3kut h HIS 617 Ca 0.16 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.49 3kut h HIS 617 Cb 0.45 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 27.81 3kut h HIS 617 CO 0.03 0.30 0.33 1.96 -0.00 0.00 0.00 177.93 180.54 3kut h GLN 618 N -0.17 1.08 -0.06 5.26 4.20 -0.92 -1.81 115.11 122.69 3kut h GLN 618 Ca 0.01 -0.18 -0.21 0.00 0.06 0.00 0.00 58.65 58.34 3kut h GLN 618 Cb 0.26 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3kut h GLN 618 CO 0.00 0.86 -0.82 0.00 -0.67 0.00 0.00 178.83 178.20 3kut h ALA 619 N 1.16 0.47 -0.29 3.87 0.00 -1.00 -1.26 119.26 122.21 3kut h ALA 619 Ca 0.25 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 3kut h ALA 619 Cb 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3kut h ALA 619 CO -0.03 0.77 0.05 -0.22 0.00 0.00 0.00 179.25 179.83 3kut h LYS 620 N 0.30 0.47 -0.67 0.00 1.63 -1.06 -0.96 116.57 116.28 3kut h LYS 620 Ca -0.05 -0.12 -0.04 0.00 -0.85 0.00 0.00 60.65 59.59 3kut h LYS 620 Cb 1.42 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.97 3kut h LYS 620 CO 0.14 0.57 0.28 0.93 -3.45 0.00 0.00 179.45 177.92 3kut h GLU 621 N 0.29 0.99 -0.41 1.90 5.08 -1.26 -0.92 114.58 120.26 3kut h GLU 621 Ca 0.09 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 3kut h GLU 621 Cb 0.32 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3kut h GLU 621 CO 0.00 0.82 0.16 0.00 -1.00 0.00 0.00 179.01 178.99 3kut h ALA 622 N 1.12 0.53 -0.40 3.43 0.00 -1.16 -2.88 119.26 119.91 3kut h ALA 622 Ca 0.22 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3kut h ALA 622 Cb 0.19 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3kut h ALA 622 CO -0.02 0.15 0.11 0.00 0.00 0.00 0.00 179.25 179.49 3kut h ALA 623 N 1.00 1.46 -0.22 0.00 0.00 -0.86 -0.72 119.26 119.92 3kut h ALA 623 Ca 0.14 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3kut h ALA 623 Cb 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3kut h ALA 623 CO -0.01 0.40 -0.17 1.96 0.00 0.00 0.00 179.25 181.44 3kut h GLN 624 N 0.57 0.37 -0.00 0.00 4.20 -0.99 -3.04 115.11 116.23 3kut h GLN 624 Ca 0.13 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3kut h GLN 624 Cb 0.19 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.93 3kut h GLN 624 CO -0.01 0.53 -0.77 1.63 -0.67 0.00 0.00 178.83 179.54 3kut n LYS 625 N -4.20 0.06 0.00 1.46 5.02 -0.95 -5.12 118.16 114.44 3kut n LYS 625 Ca -0.00 -0.05 0.13 0.00 -2.02 0.00 0.00 58.31 56.37 3kut n LYS 625 Cb 0.33 -1.50 0.76 0.00 -0.02 0.00 0.00 35.03 34.60 3kut n LYS 625 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88