#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 3.19 -0.15 0.55 2.96 -1.26 -5.05 118.68 118.92 2khh s LEU 544 Ca 0.00 1.35 -0.13 0.00 -0.22 0.00 0.00 54.13 55.13 2khh s LEU 544 Cb 0.00 -4.35 -0.05 0.00 0.50 0.00 0.00 46.19 42.29 2khh s LEU 544 CO 0.00 -0.94 0.28 0.21 -1.32 0.00 0.00 176.35 174.58 2khh s ASN 545 N -4.21 6.44 0.58 3.68 2.47 -1.26 -4.92 114.94 117.72 2khh s ASN 545 Ca 0.55 0.52 0.31 0.00 0.42 0.00 0.00 52.86 54.66 2khh s ASN 545 Cb -0.11 -2.17 1.07 0.00 -1.45 0.00 0.00 41.25 38.58 2khh s ASN 545 CO 0.53 0.13 1.32 -2.65 -3.72 0.00 0.00 177.10 172.72 2khh n PRO 546 N 3.38 0.01 0.02 0.43 -0.02 -1.26 0.70 135.00 138.27 2khh n PRO 546 Ca -0.13 1.01 -0.11 0.00 -2.02 0.00 0.00 63.50 62.26 2khh n PRO 546 Cb 0.52 -2.47 -0.08 0.00 -0.02 0.00 0.00 33.50 31.44 2khh n PRO 546 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2khh h VAL 547 N 0.00 1.00 -0.61 -1.45 2.07 -1.99 -1.29 116.25 113.98 2khh h VAL 547 Ca 0.58 -1.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 2khh h VAL 547 Cb 3.06 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 34.52 2khh h VAL 547 CO -0.01 0.27 0.26 1.56 0.02 0.00 0.00 177.57 179.67 2khh h GLN 548 N -0.85 0.88 0.39 1.57 4.20 -0.12 -1.17 115.11 120.01 2khh h GLN 548 Ca -0.02 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 2khh h GLN 548 Cb 0.56 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 2khh h GLN 548 CO 0.02 0.71 -0.22 1.25 -0.67 0.00 0.00 178.83 179.93 2khh h LEU 549 N 0.87 -0.55 -0.82 1.46 7.12 -0.69 -0.07 115.31 122.63 2khh h LEU 549 Ca 0.21 0.03 0.16 0.00 0.13 0.00 0.00 57.88 58.41 2khh h LEU 549 Cb 0.15 0.16 -0.10 0.00 -0.53 0.00 0.00 40.66 40.34 2khh h LEU 549 CO -0.02 -0.36 0.38 -0.33 -0.13 0.00 0.00 178.44 177.98 2khh h GLU 550 N -0.57 0.51 -0.20 1.25 4.39 -0.84 0.15 114.58 119.26 2khh h GLU 550 Ca -0.04 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.67 2khh h GLU 550 Cb 0.46 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.95 2khh h GLU 550 CO 0.06 0.34 -0.10 1.25 -1.16 0.00 0.00 179.01 179.39 2khh h LEU 551 N 0.52 -0.33 -0.82 1.33 5.85 -0.41 0.58 115.31 122.03 2khh h LEU 551 Ca 0.46 0.08 0.17 0.00 0.84 0.00 0.00 57.88 59.43 2khh h LEU 551 Cb 0.71 0.19 -0.11 0.00 0.37 0.00 0.00 40.66 41.81 2khh h LEU 551 CO -0.40 -0.13 0.34 -0.07 -0.34 0.00 0.00 178.44 177.83 2khh h LEU 552 N -0.08 0.30 0.08 2.25 3.38 0.11 0.64 115.31 121.99 2khh h LEU 552 Ca 0.11 0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.22 2khh h LEU 552 Cb 0.24 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2khh h LEU 552 CO -0.25 0.07 -0.13 -1.13 0.09 0.00 0.00 178.44 177.08 2khh h ASN 553 N 0.44 -0.37 -0.20 -0.43 -0.73 0.20 0.82 115.58 115.32 2khh h ASN 553 Ca 0.47 0.04 -0.02 0.00 1.87 0.00 0.00 56.30 58.67 2khh h ASN 553 Cb 0.79 0.14 -0.01 0.00 0.27 0.00 0.00 38.32 39.50 2khh h ASN 553 CO -0.45 -0.20 0.07 0.11 -0.37 0.00 0.00 177.43 176.59 2khh h LYS 554 N -0.27 0.37 -0.11 6.67 1.79 0.57 0.55 116.57 126.15 2khh h LYS 554 Ca 0.02 -0.05 -0.13 0.00 -2.18 0.00 0.00 60.65 58.32 2khh h LYS 554 Cb 0.28 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2khh h LYS 554 CO -0.08 0.34 -0.51 1.25 -1.08 0.00 0.00 179.45 179.37 2khh h LEU 555 N 0.37 0.31 -0.18 2.94 5.85 0.16 1.12 115.31 125.87 2khh h LEU 555 Ca 0.09 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2khh h LEU 555 Cb 0.13 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2khh h LEU 555 CO -0.01 0.77 -0.31 1.57 -0.34 0.00 0.00 178.44 180.12 2khh n HIS 556 N -3.95 0.00 0.48 1.25 -0.00 0.27 -0.77 115.22 112.50 2khh n HIS 556 Ca -0.02 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.21 2khh n HIS 556 Cb 0.55 -0.23 -0.04 0.00 -0.12 0.00 0.00 29.99 30.16 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 -1.17 0.79 -0.05 0.27 7.99 0.18 -3.16 117.00 121.85 2khh n LEU 557 Ca 0.09 -0.61 -0.10 0.00 -0.01 0.00 0.00 56.01 55.39 2khh n LEU 557 Cb 0.33 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.60 2khh n LEU 557 CO 0.30 0.17 -0.83 1.21 -1.51 0.00 0.00 177.39 176.73 2khh n GLU 558 N -0.84 0.21 0.07 3.23 2.13 0.38 -4.62 120.64 121.20 2khh n GLU 558 Ca 0.03 0.08 0.11 0.00 0.66 0.00 0.00 57.16 58.05 2khh n GLU 558 Cb 0.18 -0.92 0.02 0.00 0.27 0.00 0.00 31.44 30.99 2khh n GLU 558 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2khh n THR 559 N -3.30 0.41 -3.97 6.31 -2.24 0.05 -4.92 114.28 106.62 2khh n THR 559 Ca -0.19 -0.42 -0.31 0.00 -2.27 0.00 0.00 64.05 60.86 2khh n THR 559 Cb 0.65 -0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.68 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 -2.36 -1.60 -3.56 -0.78 4.76 -0.91 -4.64 118.16 109.07 2khh n LYS 560 Ca 0.01 0.15 -0.41 0.00 -2.87 0.00 0.00 58.31 55.19 2khh n LYS 560 Cb 0.50 -4.73 -0.07 0.00 -1.84 0.00 0.00 35.03 28.89 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 -6.68 5.81 0.00 -0.35 0.05 -1.26 -3.20 118.68 113.05 2khh s LEU 561 Ca 0.61 -2.50 0.00 0.00 0.05 0.00 0.00 54.13 52.29 2khh s LEU 561 Cb -0.35 -2.00 0.00 0.00 -2.05 0.00 0.00 46.19 41.79 2khh s LEU 561 CO 0.75 -0.53 0.00 -3.20 -0.55 0.00 0.00 176.35 172.81 2khh n ASN 562 N 4.09 0.00 -0.01 1.48 5.15 0.11 -2.45 115.26 123.62 2khh n ASN 562 Ca 0.04 0.00 -0.00 0.00 -0.60 0.00 0.00 54.58 54.02 2khh n ASN 562 Cb 0.41 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.66 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 0.57 -0.02 -0.11 5.20 0.00 -1.26 -0.68 120.51 124.21 2khh n ALA 563 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.44 2khh n ALA 563 Cb 0.00 0.30 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 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 -2.74 -0.11 -0.08 0.00 4.07 -1.26 0.31 120.64 120.82 2khh n GLU 564 Ca 0.00 0.44 -0.11 0.00 -0.06 0.00 0.00 57.16 57.44 2khh n GLU 564 Cb 0.01 -0.65 -0.04 0.00 -0.06 0.00 0.00 31.44 30.70 2khh n GLU 564 CO 0.00 0.00 0.00 1.88 -0.06 0.00 0.00 177.13 178.95 2khh h TYR 565 N 0.00 0.40 -1.02 4.31 -1.99 -1.13 -1.61 116.97 115.94 2khh h TYR 565 Ca 0.04 -0.04 0.25 0.00 2.00 0.00 0.00 58.73 60.97 2khh h TYR 565 Cb 0.10 -0.11 -0.10 0.00 2.00 0.00 0.00 36.73 38.62 2khh h TYR 565 CO -0.32 0.46 0.64 0.00 -0.00 0.00 0.00 178.16 178.94 2khh h THR 566 N 0.23 0.56 0.16 -2.88 1.03 0.71 0.62 112.91 113.34 2khh h THR 566 Ca 0.08 -0.17 -0.01 0.00 -0.01 0.00 0.00 66.41 66.30 2khh h THR 566 Cb 0.25 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 67.36 2khh h THR 566 CO -0.00 0.09 -0.08 0.15 -0.01 0.00 0.00 175.52 175.67 2khh h PHE 567 N 0.49 -0.20 -1.14 0.00 3.57 0.14 0.73 116.94 120.53 2khh h PHE 567 Ca 0.60 -0.00 0.33 0.00 3.53 0.00 0.00 57.97 62.42 2khh h PHE 567 Cb 1.33 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 40.09 2khh h PHE 567 CO -0.00 0.09 0.91 0.52 -2.23 0.00 0.00 178.31 177.60 2khh h MET 568 N -0.48 0.00 0.07 1.11 2.86 0.96 2.13 114.93 121.57 2khh h MET 568 Ca -0.02 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.34 2khh h MET 568 Cb 0.38 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 2khh h MET 568 CO 0.04 0.00 -1.38 1.25 1.06 0.00 0.00 176.91 177.88 2khh h LEU 569 N 0.00 0.24 -1.51 1.22 6.46 0.14 0.48 115.31 122.34 2khh h LEU 569 Ca 0.54 -0.31 0.00 0.00 -0.12 0.00 0.00 57.88 57.99 2khh h LEU 569 Cb 2.37 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 42.22 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 0.97 0.32 119.26 123.50 2khh h ALA 570 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.46 2khh h ALA 570 Cb 1.94 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.69 2khh h ALA 570 CO 0.15 0.00 -2.06 -0.85 0.00 0.00 0.00 179.25 176.49 2khh n GLU 571 N -2.76 0.46 0.01 0.00 0.28 0.19 -0.21 120.64 118.60 2khh n GLU 571 Ca 0.00 0.11 0.09 0.00 -0.16 0.00 0.00 57.16 57.20 2khh n GLU 571 Cb 0.22 -1.36 0.40 0.00 1.43 0.00 0.00 31.44 32.12 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 0.01 -0.32 3.44 6.02 0.17 -2.16 117.38 121.44 2khh n GLN 572 Ca -0.33 0.20 0.08 0.00 -0.01 0.00 0.00 57.00 56.93 2khh n GLN 572 Cb 0.84 -1.52 0.23 0.00 1.02 0.00 0.00 30.24 30.81 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 -1.54 3.52 -0.52 1.08 3.41 0.11 -4.95 113.62 114.73 2khh n SER 573 Ca 0.04 -2.25 -0.07 0.00 -0.26 0.00 0.00 58.87 56.33 2khh n SER 573 Cb 0.22 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 63.76 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 0.58 -4.15 -2.03 4.04 3.02 -0.92 -2.98 115.26 112.82 2khh n ASN 574 Ca 0.17 0.17 -0.17 0.00 -0.03 0.00 0.00 54.58 54.73 2khh n ASN 574 Cb 0.61 -2.25 -0.03 0.00 -0.61 0.00 0.00 39.78 37.49 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 -2.69 -0.79 0.00 3.10 7.02 0.71 -4.89 117.44 119.89 2khh n TRP 575 Ca -0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.41 2khh n TRP 575 Cb 0.28 -3.20 0.00 0.00 -2.42 0.00 0.00 31.31 25.97 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 -1.48 0.00 0.00 -0.99 2.85 -1.16 -5.04 115.26 109.44 2khh n ASN 576 Ca -0.18 0.30 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 2khh n ASN 576 Cb 0.61 -0.09 0.00 0.00 1.24 0.00 0.00 39.78 41.54 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 -0.76 0.00 -0.34 1.20 9.36 -1.26 -4.89 117.16 120.47 2khh n TYR 577 Ca 0.00 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.28 2khh n TYR 577 Cb 0.00 0.00 0.15 0.00 -0.63 0.00 0.00 39.34 38.86 2khh n TYR 577 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2khh h GLU 578 N 0.00 0.00 -0.45 2.98 5.08 -1.96 1.97 114.58 122.20 2khh h GLU 578 Ca 0.00 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 2khh h GLU 578 Cb 0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2khh h GLU 578 CO 0.00 0.00 -0.18 -0.24 -1.00 0.00 0.00 179.01 177.59 2khh h VAL 579 N 0.00 1.27 -0.03 3.13 3.04 -1.90 -1.57 116.25 120.20 2khh h VAL 579 Ca 0.47 -1.33 0.01 0.00 -1.01 0.00 0.00 66.70 64.84 2khh h VAL 579 Cb 0.75 1.17 -0.01 0.00 -2.01 0.00 0.00 31.29 31.19 2khh h VAL 579 CO -0.97 0.45 -0.10 0.00 -1.01 0.00 0.00 177.57 175.95 2khh h ALA 580 N 0.85 -0.49 -0.92 3.17 0.00 0.26 6.18 119.26 128.32 2khh h ALA 580 Ca 0.11 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.10 2khh h ALA 580 Cb 0.74 0.67 -0.12 0.00 0.00 0.00 0.00 17.79 19.09 2khh h ALA 580 CO 0.06 -0.52 -0.52 -0.89 0.00 0.00 0.00 179.25 177.38 2khh n ILE 581 N -3.09 -0.61 -0.14 0.00 2.08 0.14 0.26 119.36 118.01 2khh n ILE 581 Ca -0.01 2.22 -0.04 0.00 0.56 0.00 0.00 62.75 65.48 2khh n ILE 581 Cb 0.07 -2.77 0.03 0.00 -0.75 0.00 0.00 39.64 36.22 2khh n ILE 581 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 2khh h LYS 582 N 0.00 0.01 -0.83 0.38 3.64 -0.08 -1.31 116.57 118.39 2khh h LYS 582 Ca 0.17 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.63 2khh h LYS 582 Cb 0.40 -0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.12 2khh h LYS 582 CO -0.87 0.01 -0.49 0.41 -2.27 0.00 0.00 179.45 176.24 2khh n GLY 583 N -1.33 -2.67 0.00 5.01 0.00 1.99 0.38 105.19 108.57 2khh n GLY 583 Ca 0.04 1.08 0.00 0.00 0.00 0.00 0.00 46.02 47.14 2khh n GLY 583 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2khh n PHE 584 N -4.86 0.00 0.47 1.61 7.35 0.10 0.86 117.46 122.99 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 0.21 -0.45 0.00 0.00 0.35 0.00 0.00 39.48 39.60 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 -2.43 0.36 0.00 -4.13 10.64 -0.34 -2.53 117.38 118.95 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 -1.12 0.00 0.00 -0.86 0.00 0.00 30.24 28.26 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 0.05 0.00 0.01 2.61 2.88 1.24 -4.52 113.62 115.88 2khh n SER 586 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.57 2khh n SER 586 Cb 0.06 -0.10 0.11 0.00 -0.75 0.00 0.00 64.21 63.53 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 -1.66 0.06 -2.83 -3.46 7.64 -0.82 -4.71 113.62 107.84 2khh n SER 587 Ca 0.00 0.52 -0.10 0.00 1.01 0.00 0.00 58.87 60.30 2khh n SER 587 Cb 0.00 -0.53 -0.11 0.00 -1.01 0.00 0.00 64.21 62.56 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 -1.57 0.00 0.00 1.43 0.00 -1.05 -3.01 117.12 112.91 2khh n MET 588 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.71 2khh n MET 588 Cb 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 33.22 32.61 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 3.39 0.00 0.00 6.12 2.85 -1.26 -4.97 115.26 121.38 2khh n ASN 589 Ca 0.32 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.79 2khh n ASN 589 Cb 0.15 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.17 2khh n ASN 589 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2khh n GLY 590 N 0.00 0.00 3.57 8.20 0.00 -1.17 -5.07 105.19 110.72 2khh n GLY 590 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.21 0.01 -1.48 -0.61 -5.35 -1.26 -4.93 119.36 104.54 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 0.10 -0.60 0.23 0.00 -1.74 0.00 0.00 39.64 37.62 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 0.52 -0.67 0.25 6.28 0.04 -1.26 -4.80 135.00 135.36 2khh s PRO 592 Ca 0.87 -0.36 0.25 0.00 0.04 0.00 0.00 61.00 61.80 2khh s PRO 592 Cb -1.06 -1.69 0.93 0.00 0.04 0.00 0.00 34.50 32.73 2khh s PRO 592 CO 0.51 -3.30 1.74 0.54 0.04 0.00 0.00 177.00 176.53 2khh n ARG 593 N -4.40 0.23 -0.02 4.56 1.74 -1.26 -1.48 116.66 116.02 2khh n ARG 593 Ca 0.16 0.36 -0.16 0.00 -0.77 0.00 0.00 57.85 57.44 2khh n ARG 593 Cb 0.60 -1.87 -0.14 0.00 -1.02 0.00 0.00 32.46 30.03 2khh n ARG 593 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2khh h GLU 594 N 0.00 0.12 -0.34 5.56 5.08 -2.00 -3.34 114.58 119.65 2khh h GLU 594 Ca 0.00 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 2khh h GLU 594 Cb 0.49 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2khh h GLU 594 CO 0.00 1.10 -0.01 0.00 -1.00 0.00 0.00 179.01 179.09 2khh h ALA 595 N 0.03 0.45 -2.14 3.43 0.00 -1.89 -3.39 119.26 115.76 2khh h ALA 595 Ca -0.06 -0.25 -0.73 0.00 0.00 0.00 0.00 54.91 53.87 2khh h ALA 595 Cb 1.26 -0.12 -0.22 0.00 0.00 0.00 0.00 17.79 18.71 2khh h ALA 595 CO 0.06 0.23 -0.16 -0.59 0.00 0.00 0.00 179.25 178.78 2khh s PHE 596 N -4.96 3.18 -0.62 0.00 -0.12 -0.55 0.07 117.98 114.98 2khh s PHE 596 Ca -0.13 -0.99 -0.13 0.00 -0.05 0.00 0.00 56.93 55.63 2khh s PHE 596 Cb 0.09 -3.57 0.16 0.00 -0.63 0.00 0.00 43.02 39.06 2khh s PHE 596 CO 0.78 -0.99 0.55 0.14 -0.05 0.00 0.00 175.22 175.64 2khh s VAL 597 N 1.95 5.03 -0.22 -2.49 -7.23 -1.20 -4.51 120.40 111.73 2khh s VAL 597 Ca 0.07 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 2khh s VAL 597 Cb -0.25 -4.20 0.00 0.00 0.56 0.00 0.00 36.38 32.48 2khh s VAL 597 CO 0.06 -0.90 0.00 0.00 -0.31 0.00 0.00 175.10 173.95 2khh n GLN 598 N 4.68 -1.49 0.00 4.82 6.02 -1.26 -4.79 117.38 125.36 2khh n GLN 598 Ca -0.03 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.43 2khh n GLN 598 Cb 0.42 -4.63 0.00 0.00 1.02 0.00 0.00 30.24 27.05 2khh n GLN 598 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24