#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khh s LEU 544 N 0.00 3.57 -0.10 0.55 2.96 -1.26 -5.06 118.68 119.35 2khh s LEU 544 Ca 0.00 1.36 -0.14 0.00 -0.22 0.00 0.00 54.13 55.13 2khh s LEU 544 Cb 0.00 -4.32 -0.05 0.00 0.50 0.00 0.00 46.19 42.33 2khh s LEU 544 CO 0.00 -0.62 0.34 0.21 -1.32 0.00 0.00 176.35 174.96 2khh s ASN 545 N -3.50 6.59 0.60 3.68 2.47 -1.26 -4.92 114.94 118.60 2khh s ASN 545 Ca 0.55 0.69 0.30 0.00 0.42 0.00 0.00 52.86 54.82 2khh s ASN 545 Cb -0.10 -2.21 1.08 0.00 -1.45 0.00 0.00 41.25 38.57 2khh s ASN 545 CO 0.39 0.20 1.41 -0.65 -3.72 0.00 0.00 177.10 174.72 2khh h PRO 546 N 5.84 0.00 0.12 0.43 0.11 -1.98 0.59 132.00 137.11 2khh h PRO 546 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2khh h PRO 546 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2khh h PRO 546 CO 0.69 0.00 -0.06 0.28 -0.21 0.00 0.00 178.00 178.70 2khh h VAL 547 N 0.00 0.95 -0.75 3.15 2.07 -1.99 -1.17 116.25 118.50 2khh h VAL 547 Ca 0.51 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 2khh h VAL 547 Cb 2.81 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 34.18 2khh h VAL 547 CO -0.01 0.26 0.41 1.56 0.02 0.00 0.00 177.57 179.82 2khh h GLN 548 N -0.86 1.04 0.41 1.57 4.20 -0.39 -0.82 115.11 120.26 2khh h GLN 548 Ca -0.02 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 2khh h GLN 548 Cb 0.55 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2khh h GLN 548 CO 0.03 0.77 -0.26 1.25 -0.67 0.00 0.00 178.83 179.94 2khh h LEU 549 N 1.05 -0.65 -1.02 1.46 7.12 -0.64 0.24 115.31 122.86 2khh h LEU 549 Ca 0.27 0.04 0.18 0.00 0.13 0.00 0.00 57.88 58.49 2khh h LEU 549 Cb 0.03 0.19 -0.10 0.00 -0.53 0.00 0.00 40.66 40.25 2khh h LEU 549 CO -0.04 -0.41 0.62 -0.33 -0.13 0.00 0.00 178.44 178.14 2khh h GLU 550 N -0.65 0.78 -0.21 1.25 5.08 -0.78 0.24 114.58 120.30 2khh h GLU 550 Ca -0.04 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2khh h GLU 550 Cb 0.53 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2khh h GLU 550 CO 0.04 0.51 0.07 1.25 -1.00 0.00 0.00 179.01 179.89 2khh h LEU 551 N 0.80 0.08 -0.78 1.33 5.85 -0.19 -0.14 115.31 122.27 2khh h LEU 551 Ca 0.56 0.02 0.15 0.00 0.84 0.00 0.00 57.88 59.45 2khh h LEU 551 Cb 0.83 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.77 2khh h LEU 551 CO -0.35 0.08 0.34 -0.07 -0.34 0.00 0.00 178.44 178.09 2khh h LEU 552 N 0.17 0.35 0.05 2.25 3.38 0.15 0.67 115.31 122.32 2khh h LEU 552 Ca 0.09 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2khh h LEU 552 Cb 0.06 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2khh h LEU 552 CO -0.09 0.13 -0.02 0.78 0.09 0.00 0.00 178.44 179.33 2khh h ASN 553 N 0.49 -0.05 -0.23 -0.43 4.21 -0.17 0.82 115.58 120.21 2khh h ASN 553 Ca 0.43 -0.06 -0.00 0.00 1.21 0.00 0.00 56.30 57.88 2khh h ASN 553 Cb 0.65 0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.85 2khh h ASN 553 CO -0.40 0.02 0.13 0.11 -1.29 0.00 0.00 177.43 176.01 2khh h LYS 554 N -0.12 0.33 -0.07 0.81 1.79 0.24 0.77 116.57 120.33 2khh h LYS 554 Ca -0.01 -0.03 -0.17 0.00 -2.18 0.00 0.00 60.65 58.27 2khh h LYS 554 Cb 0.10 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 2khh h LYS 554 CO 0.01 0.25 -0.69 1.25 -1.08 0.00 0.00 179.45 179.19 2khh h LEU 555 N 0.34 0.37 -0.39 2.94 5.85 0.13 0.92 115.31 125.46 2khh h LEU 555 Ca 0.09 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.57 2khh h LEU 555 Cb 0.01 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.93 2khh h LEU 555 CO -0.02 0.95 -0.16 1.57 -0.34 0.00 0.00 178.44 180.44 2khh n HIS 556 N -3.83 0.00 0.32 1.25 -0.00 0.27 -0.74 115.22 112.50 2khh n HIS 556 Ca -0.03 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.18 2khh n HIS 556 Cb 0.68 -0.14 -0.05 0.00 -0.12 0.00 0.00 29.99 30.36 2khh n HIS 556 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2khh n LEU 557 N -0.74 0.32 -0.07 0.27 7.99 0.25 -3.26 117.00 121.76 2khh n LEU 557 Ca 0.14 -0.44 -0.14 0.00 -0.01 0.00 0.00 56.01 55.56 2khh n LEU 557 Cb 0.31 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.56 2khh n LEU 557 CO 0.24 0.08 -0.98 1.21 -1.51 0.00 0.00 177.39 176.43 2khh n GLU 558 N -1.25 0.31 0.07 3.23 4.07 0.31 -4.59 120.64 122.79 2khh n GLU 558 Ca 0.01 0.12 0.11 0.00 -0.06 0.00 0.00 57.16 57.34 2khh n GLU 558 Cb 0.13 -1.08 -0.03 0.00 -0.06 0.00 0.00 31.44 30.40 2khh n GLU 558 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2khh n THR 559 N -3.45 0.41 -3.50 6.31 -2.24 0.08 -4.93 114.28 106.97 2khh n THR 559 Ca -0.27 -0.49 -0.22 0.00 -2.27 0.00 0.00 64.05 60.80 2khh n THR 559 Cb 0.71 -0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 2khh n THR 559 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2khh n LYS 560 N -2.47 -2.17 -3.50 -0.78 4.76 -0.79 -4.65 118.16 108.56 2khh n LYS 560 Ca -0.01 0.17 -0.42 0.00 -2.87 0.00 0.00 58.31 55.18 2khh n LYS 560 Cb 0.54 -4.75 -0.06 0.00 -1.84 0.00 0.00 35.03 28.91 2khh n LYS 560 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 2khh s LEU 561 N -6.23 5.97 0.00 -0.35 0.05 -1.26 -3.22 118.68 113.65 2khh s LEU 561 Ca 0.42 -2.43 0.00 0.00 0.05 0.00 0.00 54.13 52.17 2khh s LEU 561 Cb -0.24 -2.05 0.00 0.00 -2.05 0.00 0.00 46.19 41.85 2khh s LEU 561 CO 0.52 -0.58 0.00 -3.20 -0.55 0.00 0.00 176.35 172.54 2khh n ASN 562 N 4.22 0.00 -0.22 1.48 5.15 0.40 -1.83 115.26 124.46 2khh n ASN 562 Ca 0.03 0.23 -0.09 0.00 -0.60 0.00 0.00 54.58 54.15 2khh n ASN 562 Cb 0.42 -0.34 -0.07 0.00 -0.53 0.00 0.00 39.78 39.25 2khh n ASN 562 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2khh h ALA 563 N 2.00 -0.51 -0.78 5.20 0.00 -1.93 1.24 119.26 124.48 2khh h ALA 563 Ca 0.00 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.06 2khh h ALA 563 Cb 0.00 1.17 -0.11 0.00 0.00 0.00 0.00 17.79 18.84 2khh h ALA 563 CO 0.00 -0.77 -0.37 0.39 0.00 0.00 0.00 179.25 178.51 2khh n GLU 564 N -4.65 -0.25 0.02 0.00 1.02 -1.26 0.10 120.64 115.63 2khh n GLU 564 Ca -0.00 1.18 -0.13 0.00 -0.02 0.00 0.00 57.16 58.19 2khh n GLU 564 Cb 0.21 -1.75 -0.09 0.00 -0.02 0.00 0.00 31.44 29.80 2khh n GLU 564 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 2khh h TYR 565 N 0.00 -0.05 -1.20 -0.32 -1.99 -1.12 -1.63 116.97 110.66 2khh h TYR 565 Ca 0.21 -0.00 0.38 0.00 2.00 0.00 0.00 58.73 61.32 2khh h TYR 565 Cb 0.40 0.02 -0.12 0.00 2.00 0.00 0.00 36.73 39.03 2khh h TYR 565 CO -0.73 0.27 0.77 0.00 -0.00 0.00 0.00 178.16 178.47 2khh h THR 566 N -0.37 0.25 0.06 -2.88 1.03 0.74 1.45 112.91 113.19 2khh h THR 566 Ca -0.01 -0.06 -0.00 0.00 -0.01 0.00 0.00 66.41 66.33 2khh h THR 566 Cb 0.34 0.04 0.00 0.00 -1.07 0.00 0.00 68.15 67.46 2khh h THR 566 CO 0.01 0.03 -0.03 0.15 -0.01 0.00 0.00 175.52 175.68 2khh h PHE 567 N 0.19 -0.07 -1.14 0.00 3.57 0.12 0.33 116.94 119.94 2khh h PHE 567 Ca 0.75 -0.00 0.33 0.00 3.53 0.00 0.00 57.97 62.58 2khh h PHE 567 Cb 2.18 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 40.90 2khh h PHE 567 CO -0.01 0.35 0.94 1.98 -2.23 0.00 0.00 178.31 179.34 2khh h MET 568 N -0.51 0.00 0.07 1.11 4.05 0.28 2.26 114.93 122.19 2khh h MET 568 Ca -0.01 0.00 -0.28 0.00 -0.28 0.00 0.00 59.70 59.13 2khh h MET 568 Cb 0.45 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 2khh h MET 568 CO 0.01 0.00 -1.44 1.25 0.23 0.00 0.00 176.91 176.96 2khh h LEU 569 N 0.00 0.22 -1.75 3.39 6.46 0.40 0.17 115.31 124.20 2khh h LEU 569 Ca 0.54 -0.31 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 2khh h LEU 569 Cb 2.41 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 42.27 2khh h LEU 569 CO -0.01 1.26 0.00 0.00 -0.62 0.00 0.00 178.44 179.07 2khh h ALA 570 N 0.71 1.00 0.00 1.25 0.00 0.76 0.45 119.26 123.43 2khh h ALA 570 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.40 2khh h ALA 570 Cb 1.96 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.69 2khh h ALA 570 CO 0.14 0.00 -2.20 -0.85 0.00 0.00 0.00 179.25 176.34 2khh n GLU 571 N -2.86 0.55 0.00 0.00 0.28 0.18 -0.95 120.64 117.84 2khh n GLU 571 Ca -0.00 0.12 0.10 0.00 -0.16 0.00 0.00 57.16 57.22 2khh n GLU 571 Cb 0.20 -1.42 0.49 0.00 1.43 0.00 0.00 31.44 32.14 2khh n GLU 571 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2khh n GLN 572 N -3.10 0.13 -0.36 3.44 6.02 0.58 -2.30 117.38 121.78 2khh n GLN 572 Ca -0.37 0.11 0.08 0.00 -0.01 0.00 0.00 57.00 56.81 2khh n GLN 572 Cb 0.90 -1.50 0.25 0.00 1.02 0.00 0.00 30.24 30.91 2khh n GLN 572 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2khh n SER 573 N -1.41 3.72 -0.44 1.08 3.41 0.15 -4.93 113.62 115.20 2khh n SER 573 Ca 0.07 -2.28 -0.06 0.00 -0.26 0.00 0.00 58.87 56.34 2khh n SER 573 Cb 0.22 -0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 63.73 2khh n SER 573 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2khh n ASN 574 N 0.67 -4.63 -2.58 4.04 3.02 -0.97 -2.68 115.26 112.12 2khh n ASN 574 Ca 0.19 0.14 -0.20 0.00 -0.03 0.00 0.00 54.58 54.68 2khh n ASN 574 Cb 0.65 -2.64 0.00 0.00 -0.61 0.00 0.00 39.78 37.18 2khh n ASN 574 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 2khh n TRP 575 N -2.52 -1.31 0.00 3.10 7.02 -0.13 -4.92 117.44 118.69 2khh n TRP 575 Ca -0.06 0.14 0.00 0.00 -1.02 0.00 0.00 57.50 56.56 2khh n TRP 575 Cb 0.35 -3.93 0.00 0.00 -2.42 0.00 0.00 31.31 25.30 2khh n TRP 575 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 2khh n ASN 576 N -2.12 0.00 0.00 -0.99 4.05 -1.09 -5.05 115.26 110.06 2khh n ASN 576 Ca -0.20 0.34 0.00 0.00 0.45 0.00 0.00 54.58 55.17 2khh n ASN 576 Cb 0.66 -0.25 0.00 0.00 1.23 0.00 0.00 39.78 41.42 2khh n ASN 576 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2khh n TYR 577 N -1.25 0.00 -0.32 1.20 9.36 -1.26 -4.88 117.16 120.00 2khh n TYR 577 Ca 0.00 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.30 2khh n TYR 577 Cb 0.00 0.00 0.18 0.00 -0.63 0.00 0.00 39.34 38.89 2khh n TYR 577 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 2khh h GLU 578 N 0.00 0.02 -0.40 2.98 4.81 -1.97 2.02 114.58 122.03 2khh h GLU 578 Ca 0.00 -0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 2khh h GLU 578 Cb 0.00 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2khh h GLU 578 CO 0.00 0.01 -0.27 -0.24 -0.73 0.00 0.00 179.01 177.78 2khh h VAL 579 N 0.02 1.27 0.03 0.32 3.04 -1.89 -1.74 116.25 117.29 2khh h VAL 579 Ca 0.48 -1.42 0.01 0.00 -1.01 0.00 0.00 66.70 64.76 2khh h VAL 579 Cb 0.84 1.25 -0.03 0.00 -2.01 0.00 0.00 31.29 31.34 2khh h VAL 579 CO -0.91 0.48 -0.26 0.00 -1.01 0.00 0.00 177.57 175.87 2khh h ALA 580 N 0.95 -0.74 -0.99 3.17 0.00 0.27 4.45 119.26 126.38 2khh h ALA 580 Ca 0.09 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.04 2khh h ALA 580 Cb 0.82 0.70 -0.12 0.00 0.00 0.00 0.00 17.79 19.19 2khh h ALA 580 CO 0.07 -0.82 -0.58 0.82 0.00 0.00 0.00 179.25 178.74 2khh h ILE 581 N -0.35 0.00 -0.50 0.00 1.08 -0.24 1.69 117.51 119.19 2khh h ILE 581 Ca 0.00 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.57 2khh h ILE 581 Cb 0.36 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.02 2khh h ILE 581 CO -0.16 0.00 -0.04 0.11 -0.69 0.00 0.00 178.15 177.37 2khh h LYS 582 N -0.00 0.07 -0.87 2.37 1.57 -0.32 -1.12 116.57 118.27 2khh h LYS 582 Ca 0.17 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.02 2khh h LYS 582 Cb 0.42 -0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.61 2khh h LYS 582 CO -0.94 0.05 -0.52 0.78 -0.57 0.00 0.00 179.45 178.25 2khh h GLY 583 N 0.07 -1.07 0.00 3.86 0.00 2.09 3.55 103.07 111.57 2khh h GLY 583 Ca 0.25 0.84 0.00 0.00 0.00 0.00 0.00 47.33 48.43 2khh h GLY 583 CO -0.46 -0.09 0.00 0.33 0.00 0.00 0.00 176.54 176.33 2khh n PHE 584 N -4.98 0.00 0.45 5.60 7.35 0.21 0.81 117.46 126.90 2khh n PHE 584 Ca 0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 2khh n PHE 584 Cb 0.23 -0.49 0.00 0.00 0.35 0.00 0.00 39.48 39.57 2khh n PHE 584 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2khh n GLN 585 N -2.56 0.42 0.00 -4.13 10.64 -0.29 -2.67 117.38 118.80 2khh n GLN 585 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2khh n GLN 585 Cb 0.00 -1.20 0.00 0.00 -0.86 0.00 0.00 30.24 28.18 2khh n GLN 585 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2khh n SER 586 N 0.24 0.00 0.06 2.61 2.88 1.16 -4.56 113.62 116.01 2khh n SER 586 Ca 0.00 0.01 0.07 0.00 -1.33 0.00 0.00 58.87 57.62 2khh n SER 586 Cb 0.10 -0.20 0.33 0.00 -0.75 0.00 0.00 64.21 63.68 2khh n SER 586 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2khh n SER 587 N -1.89 0.26 -2.14 -3.46 7.64 -0.92 -4.76 113.62 108.36 2khh n SER 587 Ca 0.00 0.58 -0.08 0.00 1.01 0.00 0.00 58.87 60.39 2khh n SER 587 Cb 0.00 -0.63 -0.08 0.00 -1.01 0.00 0.00 64.21 62.49 2khh n SER 587 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2khh n MET 588 N -1.80 0.00 0.00 1.43 0.00 -1.09 -3.09 117.12 112.56 2khh n MET 588 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.72 2khh n MET 588 Cb 0.13 -0.49 0.00 0.00 0.00 0.00 0.00 33.22 32.86 2khh n MET 588 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2khh n ASN 589 N 2.56 0.00 0.00 6.12 3.02 -1.26 -4.97 115.26 120.72 2khh n ASN 589 Ca 0.24 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 2khh n ASN 589 Cb 0.12 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 2khh n ASN 589 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2khh n GLY 590 N 0.00 0.00 3.60 7.41 0.00 -1.18 -5.07 105.19 109.95 2khh n GLY 590 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.50 2khh n GLY 590 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2khh n ILE 591 N -0.89 0.02 -1.34 -0.61 -5.35 -1.26 -4.93 119.36 105.00 2khh n ILE 591 Ca 0.00 -0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.18 2khh n ILE 591 Cb 0.08 -0.90 0.22 0.00 -1.74 0.00 0.00 39.64 37.30 2khh n ILE 591 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2khh s PRO 592 N 0.74 -0.63 0.31 6.28 0.04 -1.26 -4.80 135.00 135.67 2khh s PRO 592 Ca 0.85 -0.16 0.26 0.00 0.04 0.00 0.00 61.00 61.99 2khh s PRO 592 Cb -0.94 -1.67 0.96 0.00 0.04 0.00 0.00 34.50 32.88 2khh s PRO 592 CO 0.47 -3.30 1.77 0.00 0.04 0.00 0.00 177.00 175.98 2khh h ARG 593 N -2.29 0.00 0.09 4.56 3.08 -1.92 -1.51 114.38 116.40 2khh h ARG 593 Ca -0.45 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.43 2khh h ARG 593 Cb 1.28 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.33 2khh h ARG 593 CO 0.36 0.00 -0.83 0.93 -1.07 0.00 0.00 179.97 179.36 2khh h GLU 594 N 0.00 0.20 -0.32 0.04 5.08 -2.01 -3.35 114.58 114.22 2khh h GLU 594 Ca 0.00 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 57.97 2khh h GLU 594 Cb 0.53 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2khh h GLU 594 CO 0.00 1.16 0.00 0.00 -1.00 0.00 0.00 179.01 179.17 2khh h ALA 595 N -0.01 0.43 -1.99 3.43 0.00 -1.90 -3.38 119.26 115.85 2khh h ALA 595 Ca -0.17 -0.24 -0.70 0.00 0.00 0.00 0.00 54.91 53.80 2khh h ALA 595 Cb 1.51 -0.12 -0.20 0.00 0.00 0.00 0.00 17.79 18.99 2khh h ALA 595 CO 0.07 0.19 0.05 -0.59 0.00 0.00 0.00 179.25 178.97 2khh s PHE 596 N -5.00 3.04 -0.50 0.00 -0.12 -0.58 0.15 117.98 114.98 2khh s PHE 596 Ca -0.13 -0.87 -0.13 0.00 -0.05 0.00 0.00 56.93 55.74 2khh s PHE 596 Cb 0.09 -3.83 0.11 0.00 -0.63 0.00 0.00 43.02 38.76 2khh s PHE 596 CO 0.77 -1.18 0.42 0.14 -0.05 0.00 0.00 175.22 175.32 2khh s VAL 597 N 2.54 4.83 -0.67 -2.49 -7.23 -1.20 -4.52 120.40 111.67 2khh s VAL 597 Ca 0.11 -1.52 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 2khh s VAL 597 Cb -0.23 -4.08 0.00 0.00 0.56 0.00 0.00 36.38 32.63 2khh s VAL 597 CO 0.07 -0.77 0.00 0.00 -0.31 0.00 0.00 175.10 174.09 2khh n GLN 598 N 5.11 -1.75 0.00 4.82 6.02 -1.26 -4.77 117.38 125.54 2khh n GLN 598 Ca -0.12 0.71 0.00 0.00 -0.01 0.00 0.00 57.00 57.58 2khh n GLN 598 Cb 0.41 -5.12 0.00 0.00 1.02 0.00 0.00 30.24 26.55 2khh n GLN 598 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24