#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 0.04 -0.10 6.15 2.96 -1.26 -5.14 118.68 121.33 2khh s LEU 544 Ca 0.00 0.06 -0.14 0.00 -0.22 0.00 0.00 54.13 53.83 2khh s LEU 544 Cb 0.00 2.06 -0.05 0.00 0.50 0.00 0.00 46.19 48.70 2khh s LEU 544 CO 0.00 -0.75 0.35 0.21 -1.32 0.00 0.00 176.35 174.84 2khh s ASN 545 N -2.15 6.59 0.60 3.68 2.47 -1.26 -4.92 114.94 119.95 2khh s ASN 545 Ca -0.04 0.70 0.31 0.00 0.42 0.00 0.00 52.86 54.26 2khh s ASN 545 Cb -0.00 -2.21 1.10 0.00 -1.45 0.00 0.00 41.25 38.69 2khh s ASN 545 CO -0.04 0.18 1.38 -0.65 -3.72 0.00 0.00 177.10 174.25 2khh h PRO 546 N 5.90 0.00 0.16 0.43 0.11 -2.01 0.57 132.00 137.16 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 -0.08 0.28 -0.21 0.00 0.00 178.00 178.69 2khh h VAL 547 N 0.00 0.72 -0.59 3.15 2.07 -1.99 -1.29 116.25 118.32 2khh h VAL 547 Ca 0.57 -1.14 0.01 0.00 0.82 0.00 0.00 66.70 66.96 2khh h VAL 547 Cb 3.03 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 34.00 2khh h VAL 547 CO -0.01 0.20 0.39 1.56 0.02 0.00 0.00 177.57 179.73 2khh h GLN 548 N -0.92 0.75 0.37 1.57 4.20 -0.42 -0.80 115.11 119.85 2khh h GLN 548 Ca -0.02 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 2khh h GLN 548 Cb 0.49 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2khh h GLN 548 CO 0.04 0.50 -0.18 1.25 -0.67 0.00 0.00 178.83 179.77 2khh h LEU 549 N 0.77 -0.42 -0.99 1.46 7.12 -0.69 0.13 115.31 122.71 2khh h LEU 549 Ca 0.22 -0.00 0.18 0.00 0.13 0.00 0.00 57.88 58.41 2khh h LEU 549 Cb -0.06 0.11 -0.10 0.00 -0.53 0.00 0.00 40.66 40.08 2khh h LEU 549 CO -0.05 -0.28 0.59 -0.33 -0.13 0.00 0.00 178.44 178.24 2khh h GLU 550 N -0.52 0.74 0.17 1.25 5.08 -0.51 0.15 114.58 120.95 2khh h GLU 550 Ca -0.05 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2khh h GLU 550 Cb 0.39 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2khh h GLU 550 CO 0.08 0.49 -0.12 1.25 -1.00 0.00 0.00 179.01 179.72 2khh h LEU 551 N 0.76 -0.30 -1.47 1.33 5.85 -0.25 -0.34 115.31 120.90 2khh h LEU 551 Ca 0.56 0.02 0.23 0.00 0.84 0.00 0.00 57.88 59.53 2khh h LEU 551 Cb 0.84 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.89 2khh h LEU 551 CO -0.37 -0.19 0.63 -0.07 -0.34 0.00 0.00 178.44 178.10 2khh h LEU 552 N -0.29 0.42 0.34 2.25 3.38 0.19 1.01 115.31 122.60 2khh h LEU 552 Ca -0.01 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2khh h LEU 552 Cb 0.25 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2khh h LEU 552 CO 0.01 0.14 -0.16 -1.13 0.09 0.00 0.00 178.44 177.38 2khh h ASN 553 N 0.40 -0.38 -0.53 -0.43 -0.73 0.53 2.66 115.58 117.09 2khh h ASN 553 Ca 0.52 -0.08 -0.05 0.00 1.87 0.00 0.00 56.30 58.56 2khh h ASN 553 Cb 1.31 0.10 -0.03 0.00 0.27 0.00 0.00 38.32 39.97 2khh h ASN 553 CO -0.21 -0.16 0.14 0.11 -0.37 0.00 0.00 177.43 176.94 2khh h LYS 554 N -0.60 0.89 -0.37 6.67 1.79 0.31 0.35 116.57 125.62 2khh h LYS 554 Ca -0.05 -0.19 -0.12 0.00 -2.18 0.00 0.00 60.65 58.12 2khh h LYS 554 Cb 0.44 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 2khh h LYS 554 CO 0.08 0.80 -0.22 1.25 -1.08 0.00 0.00 179.45 180.27 2khh h LEU 555 N 0.86 0.84 -0.45 2.94 5.85 0.13 0.98 115.31 126.45 2khh h LEU 555 Ca 0.19 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2khh h LEU 555 Cb 0.31 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2khh h LEU 555 CO -0.00 1.08 0.00 1.57 -0.34 0.00 0.00 178.44 180.75 2khh n HIS 556 N -4.24 0.88 0.63 1.25 -0.00 0.89 -1.17 115.22 113.47 2khh n HIS 556 Ca -0.02 0.31 0.07 0.00 0.46 0.00 0.00 57.72 58.54 2khh n HIS 556 Cb 0.44 -1.00 -0.04 0.00 -0.12 0.00 0.00 29.99 29.27 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 -2.27 1.06 -0.08 0.27 7.99 0.12 -3.37 117.00 120.72 2khh n LEU 557 Ca 0.03 -0.63 -0.15 0.00 -0.01 0.00 0.00 56.01 55.25 2khh n LEU 557 Cb 0.31 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.55 2khh n LEU 557 CO 0.24 0.22 -1.04 1.21 -1.51 0.00 0.00 177.39 176.51 2khh n GLU 558 N -0.75 0.36 -0.03 3.23 4.07 0.33 -4.68 120.64 123.18 2khh n GLU 558 Ca 0.04 0.13 0.03 0.00 -0.06 0.00 0.00 57.16 57.30 2khh n GLU 558 Cb 0.25 -1.15 -0.15 0.00 -0.06 0.00 0.00 31.44 30.34 2khh n GLU 558 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 2khh n THR 559 N -3.48 0.64 -1.28 6.31 5.66 -0.32 -4.94 114.28 116.87 2khh n THR 559 Ca -0.31 -0.64 -0.03 0.00 -3.05 0.00 0.00 64.05 60.02 2khh n THR 559 Cb 0.75 -0.27 -0.01 0.00 -1.55 0.00 0.00 70.33 69.25 2khh n THR 559 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2khh n LYS 560 N -2.53 -1.32 -0.86 1.09 5.02 -0.89 -4.70 118.16 113.98 2khh n LYS 560 Ca -0.14 0.15 -0.12 0.00 -2.02 0.00 0.00 58.31 56.18 2khh n LYS 560 Cb 0.79 -4.27 -0.13 0.00 -0.02 0.00 0.00 35.03 31.40 2khh n LYS 560 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2khh n LEU 561 N -1.38 4.64 -1.49 -0.35 -0.00 -1.25 -3.48 117.00 113.68 2khh n LEU 561 Ca -0.03 -2.83 0.00 0.00 -0.00 0.00 0.00 56.01 53.15 2khh n LEU 561 Cb 0.15 -1.20 0.00 0.00 -0.00 0.00 0.00 43.42 42.37 2khh n LEU 561 CO 0.04 1.35 -0.33 -3.20 -0.00 0.00 0.00 177.39 175.25 2khh n ASN 562 N 2.70 -6.91 0.00 1.45 5.15 0.19 -3.37 115.26 114.46 2khh n ASN 562 Ca 0.39 0.94 0.00 0.00 -0.60 0.00 0.00 54.58 55.31 2khh n ASN 562 Cb 0.71 -3.62 0.00 0.00 -0.53 0.00 0.00 39.78 36.34 2khh n ASN 562 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2khh n ALA 563 N 0.98 -0.02 -0.17 5.20 0.00 -1.26 0.31 120.51 125.54 2khh n ALA 563 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 2khh n ALA 563 Cb 0.00 0.30 -0.02 0.00 0.00 0.00 0.00 19.45 19.73 2khh n ALA 563 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2khh n GLU 564 N -1.67 -0.15 -0.03 0.00 0.00 -1.26 0.31 120.64 117.83 2khh n GLU 564 Ca 0.00 0.65 -0.12 0.00 0.00 0.00 0.00 57.16 57.69 2khh n GLU 564 Cb 0.00 -0.95 -0.07 0.00 0.00 0.00 0.00 31.44 30.42 2khh n GLU 564 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.13 179.01 2khh h TYR 565 N 0.00 0.18 -1.05 4.31 -1.99 -1.48 -1.47 116.97 115.47 2khh h TYR 565 Ca 0.10 -0.03 0.28 0.00 2.00 0.00 0.00 58.73 61.08 2khh h TYR 565 Cb 0.21 -0.05 -0.10 0.00 2.00 0.00 0.00 36.73 38.78 2khh h TYR 565 CO -0.41 0.39 0.67 0.00 -0.00 0.00 0.00 178.16 178.80 2khh h THR 566 N -0.08 0.49 -0.20 -2.88 1.03 2.40 1.31 112.91 114.97 2khh h THR 566 Ca 0.03 -0.14 -0.02 0.00 -0.01 0.00 0.00 66.41 66.27 2khh h THR 566 Cb 0.31 0.05 -0.01 0.00 -1.07 0.00 0.00 68.15 67.43 2khh h THR 566 CO 0.00 0.07 0.03 0.15 -0.01 0.00 0.00 175.52 175.77 2khh h PHE 567 N 0.40 0.34 -1.20 0.00 3.57 0.22 0.34 116.94 120.61 2khh h PHE 567 Ca 0.63 -0.05 0.34 0.00 3.53 0.00 0.00 57.97 62.42 2khh h PHE 567 Cb 1.54 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 40.12 2khh h PHE 567 CO -0.00 0.47 0.84 0.52 -2.23 0.00 0.00 178.31 177.90 2khh h MET 568 N 0.12 0.11 0.05 1.11 2.86 0.26 1.77 114.93 121.21 2khh h MET 568 Ca 0.06 -0.01 -0.24 0.00 -2.06 0.00 0.00 59.70 57.45 2khh h MET 568 Cb 0.31 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 2khh h MET 568 CO 0.00 0.07 -1.16 1.25 1.06 0.00 0.00 176.91 178.13 2khh h LEU 569 N 0.11 0.15 -1.94 1.22 6.46 0.86 0.26 115.31 122.44 2khh h LEU 569 Ca 0.62 -0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 58.20 2khh h LEU 569 Cb 2.17 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 42.05 2khh h LEU 569 CO -0.12 1.14 -0.02 0.00 -0.62 0.00 0.00 178.44 178.82 2khh h ALA 570 N 0.84 1.03 0.00 1.25 0.00 0.64 0.31 119.26 123.33 2khh h ALA 570 Ca -0.08 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.46 2khh h ALA 570 Cb 1.87 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.59 2khh h ALA 570 CO 0.15 0.03 -2.32 -0.85 0.00 0.00 0.00 179.25 176.26 2khh n GLU 571 N -3.15 0.57 0.05 0.00 0.28 0.19 -1.33 120.64 117.25 2khh n GLU 571 Ca -0.01 0.14 0.10 0.00 -0.16 0.00 0.00 57.16 57.23 2khh n GLU 571 Cb 0.24 -1.46 0.40 0.00 1.43 0.00 0.00 31.44 32.05 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 -3.22 0.07 -0.46 3.44 6.02 0.92 -2.04 117.38 122.11 2khh n GLN 572 Ca -0.41 0.28 0.10 0.00 -0.01 0.00 0.00 57.00 56.96 2khh n GLN 572 Cb 0.93 -1.63 0.32 0.00 1.02 0.00 0.00 30.24 30.88 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 -1.77 4.22 -0.20 1.08 3.41 0.11 -4.92 113.62 115.55 2khh n SER 573 Ca 0.04 -2.21 -0.03 0.00 -0.26 0.00 0.00 58.87 56.41 2khh n SER 573 Cb 0.22 -0.51 -0.01 0.00 -0.26 0.00 0.00 64.21 63.65 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 1.30 -4.35 -2.12 4.04 3.02 -0.87 -2.84 115.26 113.43 2khh n ASN 574 Ca 0.24 0.06 -0.20 0.00 -0.03 0.00 0.00 54.58 54.66 2khh n ASN 574 Cb 0.73 -2.08 -0.02 0.00 -0.61 0.00 0.00 39.78 37.79 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 -2.58 -0.76 0.00 3.10 7.02 -0.44 -4.94 117.44 118.84 2khh n TRP 575 Ca -0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.45 2khh n TRP 575 Cb 0.26 -3.74 0.00 0.00 -2.42 0.00 0.00 31.31 25.41 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 -1.69 0.00 0.00 -0.99 2.85 -1.13 -5.06 115.26 109.25 2khh n ASN 576 Ca -0.23 0.05 0.00 0.00 -0.11 0.00 0.00 54.58 54.29 2khh n ASN 576 Cb 0.67 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.69 2khh n ASN 576 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2khh n TYR 577 N -0.26 0.00 -0.32 1.20 9.36 -1.26 -4.91 117.16 120.97 2khh n TYR 577 Ca 0.00 0.00 0.03 0.00 3.32 0.00 0.00 57.90 61.25 2khh n TYR 577 Cb 0.00 0.00 0.11 0.00 -0.63 0.00 0.00 39.34 38.82 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 -0.01 -0.51 2.98 4.81 -1.97 1.79 114.58 121.68 2khh h GLU 578 Ca 0.00 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.13 2khh h GLU 578 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2khh h GLU 578 CO 0.00 -0.00 -0.08 -0.24 -0.73 0.00 0.00 179.01 177.96 2khh h VAL 579 N -0.01 1.26 0.00 0.32 3.04 -1.91 -1.67 116.25 117.29 2khh h VAL 579 Ca 0.42 -1.19 0.00 0.00 -1.01 0.00 0.00 66.70 64.91 2khh h VAL 579 Cb 0.65 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 2khh h VAL 579 CO -0.92 0.42 0.00 0.00 -1.01 0.00 0.00 177.57 176.06 2khh n ALA 580 N -2.49 -0.26 -0.33 3.17 0.00 0.57 0.49 120.51 121.67 2khh n ALA 580 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.37 2khh n ALA 580 Cb 0.37 0.22 -0.08 0.00 0.00 0.00 0.00 19.45 19.96 2khh n ALA 580 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2khh n ILE 581 N -2.35 -0.54 -0.12 0.00 2.08 0.93 0.31 119.36 119.67 2khh n ILE 581 Ca 0.00 1.93 -0.05 0.00 0.56 0.00 0.00 62.75 65.19 2khh n ILE 581 Cb 0.00 -2.38 0.01 0.00 -0.75 0.00 0.00 39.64 36.52 2khh n ILE 581 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2khh h LYS 582 N 0.00 -0.05 -0.65 0.38 1.79 -0.45 -1.42 116.57 116.17 2khh h LYS 582 Ca 0.13 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.66 2khh h LYS 582 Cb 0.32 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 30.91 2khh h LYS 582 CO -0.74 -0.03 -0.38 0.41 -1.08 0.00 0.00 179.45 177.63 2khh n GLY 583 N -1.34 -2.62 0.21 3.86 0.00 1.82 0.28 105.19 107.41 2khh n GLY 583 Ca 0.02 0.95 -0.06 0.00 0.00 0.00 0.00 46.02 46.93 2khh n GLY 583 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2khh h PHE 584 N 0.00 -0.79 0.00 1.61 3.57 0.25 1.11 116.94 122.70 2khh h PHE 584 Ca 0.10 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.64 2khh h PHE 584 Cb 0.27 0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.37 2khh h PHE 584 CO -0.95 -0.23 0.00 0.00 -2.23 0.00 0.00 178.31 174.91 2khh n GLN 585 N -3.94 0.85 0.00 1.11 10.64 0.49 -3.42 117.38 123.11 2khh n GLN 585 Ca -0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.15 2khh n GLN 585 Cb 0.16 -1.08 0.00 0.00 -0.86 0.00 0.00 30.24 28.46 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 0.66 0.00 0.08 2.61 2.88 0.79 -4.73 113.62 115.91 2khh n SER 586 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 2khh n SER 586 Cb 0.42 -0.13 0.53 0.00 -0.75 0.00 0.00 64.21 64.28 2khh n SER 586 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2khh h SER 587 N 0.00 0.26 0.00 -3.46 0.02 -1.60 -3.44 113.55 105.33 2khh h SER 587 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2khh h SER 587 Cb 0.00 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.48 2khh h SER 587 CO 0.00 0.18 0.00 0.80 -1.14 0.00 0.00 176.83 176.67 2khh n MET 588 N -4.49 0.00 0.00 3.45 0.00 -1.22 -3.95 117.12 110.90 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 0.15 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.37 2khh n MET 588 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 2khh n ASN 589 N 0.00 0.00 0.00 6.12 5.15 -1.26 -4.97 115.26 120.30 2khh n ASN 589 Ca 0.00 -0.19 0.00 0.00 -0.60 0.00 0.00 54.58 53.79 2khh n ASN 589 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2khh n ASN 589 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2khh n GLY 590 N 0.00 0.00 3.53 8.20 0.00 -1.25 -5.09 105.19 110.57 2khh n GLY 590 Ca 0.00 -0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.56 0.85 -2.12 -0.61 -5.35 -1.26 -4.94 119.36 105.37 2khh n ILE 591 Ca 0.00 -0.21 -0.28 0.00 -0.27 0.00 0.00 62.75 61.99 2khh n ILE 591 Cb 0.00 -0.49 0.18 0.00 -1.74 0.00 0.00 39.64 37.59 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 -0.37 0.71 0.38 6.28 0.04 -1.26 -4.92 135.00 135.87 2khh s PRO 592 Ca 0.76 -0.70 0.21 0.00 0.04 0.00 0.00 61.00 61.31 2khh s PRO 592 Cb -0.97 -1.96 0.46 0.00 0.04 0.00 0.00 34.50 32.06 2khh s PRO 592 CO 0.54 -2.29 1.63 0.07 0.04 0.00 0.00 177.00 176.99 2khh h ARG 593 N -1.44 0.00 -0.27 4.56 -0.00 -1.92 -1.55 114.38 113.76 2khh h ARG 593 Ca -0.42 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 59.49 2khh h ARG 593 Cb 1.23 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.19 2khh h ARG 593 CO 0.34 0.26 -0.13 0.93 -0.00 0.00 0.00 179.97 181.37 2khh h GLU 594 N 0.00 0.58 -0.17 0.08 5.08 -1.98 -3.10 114.58 115.06 2khh h GLU 594 Ca -0.00 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.02 2khh h GLU 594 Cb 1.05 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 2khh h GLU 594 CO 0.03 0.82 -0.22 0.00 -1.00 0.00 0.00 179.01 178.65 2khh h ALA 595 N 0.74 0.26 -0.78 3.43 0.00 -1.78 -3.38 119.26 117.75 2khh h ALA 595 Ca 0.06 -0.36 -0.38 0.00 0.00 0.00 0.00 54.91 54.23 2khh h ALA 595 Cb 0.65 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 2khh h ALA 595 CO 0.04 0.21 0.98 -0.06 0.00 0.00 0.00 179.25 180.42 2khh s PHE 596 N -4.23 2.01 0.00 0.00 0.08 -0.59 0.53 117.98 115.79 2khh s PHE 596 Ca -0.14 0.22 0.00 0.00 0.12 0.00 0.00 56.93 57.13 2khh s PHE 596 Cb 0.06 -4.21 0.00 0.00 -0.57 0.00 0.00 43.02 38.30 2khh s PHE 596 CO 0.78 -1.74 1.81 1.33 -0.10 0.00 0.00 175.22 177.30 2khh n VAL 597 N 7.61 1.81 -1.74 -0.44 0.24 -1.23 -4.52 118.33 120.06 2khh n VAL 597 Ca 0.39 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 2khh n VAL 597 Cb 0.48 -1.42 0.00 0.00 -1.47 0.00 0.00 33.84 31.43 2khh n VAL 597 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 2khh n GLN 598 N 1.39 0.00 0.00 7.34 7.27 -1.26 -4.99 117.38 127.13 2khh n GLN 598 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2khh n GLN 598 Cb 0.48 -1.74 0.00 0.00 2.41 0.00 0.00 30.24 31.39 2khh n GLN 598 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32