#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khh n LEU 544 N 0.00 -1.15 -4.75 6.15 7.94 -1.26 -4.83 117.00 119.11 2khh n LEU 544 Ca 0.00 2.34 -0.38 0.00 -1.11 0.00 0.00 56.01 56.85 2khh n LEU 544 Cb 0.00 -2.74 -0.06 0.00 0.53 0.00 0.00 43.42 41.15 2khh n LEU 544 CO 0.00 -1.49 0.18 0.21 -1.11 0.00 0.00 177.39 175.18 2khh s ASN 545 N -6.29 6.76 0.60 1.96 2.47 -1.26 -4.91 114.94 114.27 2khh s ASN 545 Ca 0.00 0.90 0.31 0.00 0.42 0.00 0.00 52.86 54.49 2khh s ASN 545 Cb 0.00 -2.29 1.09 0.00 -1.45 0.00 0.00 41.25 38.60 2khh s ASN 545 CO 0.00 0.07 1.39 -0.65 -3.72 0.00 0.00 177.10 174.19 2khh h PRO 546 N 6.21 0.00 0.12 0.43 0.11 -1.98 0.62 132.00 137.51 2khh h PRO 546 Ca -0.43 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 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 0.72 0.00 -0.06 0.28 -0.21 0.00 0.00 178.00 178.74 2khh h VAL 547 N 0.00 0.97 -0.76 3.15 2.07 -1.99 -1.28 116.25 118.41 2khh h VAL 547 Ca 0.54 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.77 2khh h VAL 547 Cb 2.94 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 34.34 2khh h VAL 547 CO -0.01 0.26 0.38 1.56 0.02 0.00 0.00 177.57 179.79 2khh h GLN 548 N -0.85 1.07 0.22 1.57 4.20 -0.31 -1.07 115.11 119.95 2khh h GLN 548 Ca -0.02 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.56 2khh h GLN 548 Cb 0.55 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2khh h GLN 548 CO 0.03 0.81 -0.20 1.25 -0.67 0.00 0.00 178.83 180.05 2khh h LEU 549 N 1.07 -0.52 -0.82 1.46 7.12 -0.66 0.10 115.31 123.07 2khh h LEU 549 Ca 0.27 0.05 0.15 0.00 0.13 0.00 0.00 57.88 58.47 2khh h LEU 549 Cb 0.08 0.18 -0.10 0.00 -0.53 0.00 0.00 40.66 40.29 2khh h LEU 549 CO -0.04 -0.30 0.39 -0.33 -0.13 0.00 0.00 178.44 178.03 2khh h GLU 550 N -0.44 0.53 -0.15 1.25 5.08 -0.77 0.13 114.58 120.22 2khh h GLU 550 Ca -0.00 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2khh h GLU 550 Cb 0.40 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 2khh h GLU 550 CO -0.04 0.35 -0.08 1.25 -1.00 0.00 0.00 179.01 179.50 2khh h LEU 551 N 0.55 -0.26 -0.87 1.33 5.85 -0.09 0.18 115.31 121.99 2khh h LEU 551 Ca 0.45 0.06 0.19 0.00 0.84 0.00 0.00 57.88 59.42 2khh h LEU 551 Cb 0.66 0.15 -0.11 0.00 0.37 0.00 0.00 40.66 41.73 2khh h LEU 551 CO -0.38 -0.11 0.41 -0.07 -0.34 0.00 0.00 178.44 177.95 2khh h LEU 552 N -0.07 0.42 0.41 2.25 3.38 0.17 0.83 115.31 122.70 2khh h LEU 552 Ca 0.09 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 2khh h LEU 552 Cb 0.20 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2khh h LEU 552 CO -0.20 0.10 -0.24 0.78 0.09 0.00 0.00 178.44 178.97 2khh h ASN 553 N 0.50 -0.59 -0.62 -0.43 2.35 0.24 2.39 115.58 119.42 2khh h ASN 553 Ca 0.52 0.03 0.03 0.00 -0.55 0.00 0.00 56.30 56.33 2khh h ASN 553 Cb 0.88 0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.39 2khh h ASN 553 CO -0.45 -0.39 0.41 0.50 -1.65 0.00 0.00 177.43 175.85 2khh h LYS 554 N -0.61 0.72 -0.23 0.81 1.63 0.42 0.71 116.57 120.02 2khh h LYS 554 Ca -0.05 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.60 2khh h LYS 554 Cb 0.50 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 31.96 2khh h LYS 554 CO 0.06 0.47 -0.29 1.25 -3.45 0.00 0.00 179.45 177.49 2khh h LEU 555 N 0.74 0.65 0.00 5.20 5.85 0.15 0.63 115.31 128.53 2khh h LEU 555 Ca 0.25 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2khh h LEU 555 Cb 0.07 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.92 2khh h LEU 555 CO -0.07 1.02 0.00 1.57 -0.34 0.00 0.00 178.44 180.63 2khh n HIS 556 N -4.32 0.00 0.49 1.25 -0.00 0.80 -0.44 115.22 113.00 2khh n HIS 556 Ca -0.05 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.19 2khh n HIS 556 Cb 0.47 -0.33 -0.07 0.00 -0.12 0.00 0.00 29.99 29.94 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 -1.33 0.49 -0.09 0.27 7.99 0.23 -3.26 117.00 121.31 2khh n LEU 557 Ca 0.10 -0.44 -0.16 0.00 -0.01 0.00 0.00 56.01 55.49 2khh n LEU 557 Cb 0.20 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.44 2khh n LEU 557 CO 0.18 0.12 -1.08 1.21 -1.51 0.00 0.00 177.39 176.31 2khh n GLU 558 N -1.35 0.39 -0.01 3.23 2.13 0.22 -4.65 120.64 120.60 2khh n GLU 558 Ca 0.02 0.14 0.11 0.00 0.66 0.00 0.00 57.16 58.08 2khh n GLU 558 Cb 0.20 -1.20 -0.16 0.00 0.27 0.00 0.00 31.44 30.55 2khh n GLU 558 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2khh n THR 559 N -3.50 0.00 -2.00 6.31 5.66 0.42 -4.94 114.28 116.23 2khh n THR 559 Ca -0.33 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 60.24 2khh n THR 559 Cb 0.77 0.13 0.00 0.00 -1.55 0.00 0.00 70.33 69.68 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 -2.16 -2.36 -1.20 1.09 5.02 -0.84 -4.64 118.16 113.08 2khh n LYS 560 Ca -0.03 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.07 2khh n LYS 560 Cb 0.53 -4.13 -0.12 0.00 -0.02 0.00 0.00 35.03 31.29 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 -1.98 5.95 -1.53 -0.35 -0.00 -1.26 -3.64 117.00 114.20 2khh n LEU 561 Ca 0.00 -3.58 0.00 0.00 -0.00 0.00 0.00 56.01 52.43 2khh n LEU 561 Cb 0.34 -1.38 0.00 0.00 -0.00 0.00 0.00 43.42 42.39 2khh n LEU 561 CO 0.00 1.75 -0.35 -3.20 -0.00 0.00 0.00 177.39 175.59 2khh n ASN 562 N 2.10 -7.28 0.00 1.45 5.15 0.54 -3.37 115.26 113.86 2khh n ASN 562 Ca 0.48 1.00 0.00 0.00 -0.60 0.00 0.00 54.58 55.46 2khh n ASN 562 Cb 0.74 -3.76 0.00 0.00 -0.53 0.00 0.00 39.78 36.23 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 0.91 -0.01 -0.12 5.20 0.00 -1.26 0.29 120.51 125.51 2khh n ALA 563 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2khh n ALA 563 Cb 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 19.45 19.67 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 -1.16 -0.10 -0.01 0.00 4.07 -1.26 0.33 120.64 122.50 2khh n GLU 564 Ca 0.00 0.46 -0.12 0.00 -0.06 0.00 0.00 57.16 57.43 2khh n GLU 564 Cb 0.00 -0.68 -0.08 0.00 -0.06 0.00 0.00 31.44 30.62 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 0.09 -0.96 4.31 -1.99 -1.56 -1.52 116.97 115.34 2khh h TYR 565 Ca 0.07 -0.02 0.28 0.00 2.00 0.00 0.00 58.73 61.07 2khh h TYR 565 Cb 0.15 -0.02 -0.14 0.00 2.00 0.00 0.00 36.73 38.71 2khh h TYR 565 CO -0.29 0.39 0.46 0.00 -0.00 0.00 0.00 178.16 178.72 2khh h THR 566 N -0.23 0.34 -0.19 -2.88 1.03 2.28 1.94 112.91 115.20 2khh h THR 566 Ca 0.01 -0.11 -0.01 0.00 -0.01 0.00 0.00 66.41 66.29 2khh h THR 566 Cb 0.35 -0.01 -0.01 0.00 -1.07 0.00 0.00 68.15 67.41 2khh h THR 566 CO 0.00 0.06 0.09 0.15 -0.01 0.00 0.00 175.52 175.82 2khh h PHE 567 N 0.33 0.26 -1.36 0.00 3.57 0.78 0.29 116.94 120.82 2khh h PHE 567 Ca 0.66 -0.01 0.40 0.00 3.53 0.00 0.00 57.97 62.55 2khh h PHE 567 Cb 1.42 -0.08 -0.08 0.00 2.79 0.00 0.00 35.95 40.00 2khh h PHE 567 CO -0.09 0.27 0.94 1.98 -2.23 0.00 0.00 178.31 179.18 2khh h MET 568 N 0.18 0.08 0.06 1.11 4.05 0.40 1.94 114.93 122.76 2khh h MET 568 Ca 0.06 -0.01 -0.26 0.00 -0.28 0.00 0.00 59.70 59.22 2khh h MET 568 Cb 0.10 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 2khh h MET 568 CO -0.01 0.06 -1.29 1.25 0.23 0.00 0.00 176.91 177.15 2khh h LEU 569 N 0.09 0.21 -1.86 3.39 6.46 0.15 0.13 115.31 123.88 2khh h LEU 569 Ca 0.70 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 58.21 2khh h LEU 569 Cb 2.52 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 42.38 2khh h LEU 569 CO -0.15 1.21 0.00 0.00 -0.62 0.00 0.00 178.44 178.88 2khh h ALA 570 N 0.76 1.00 0.00 1.25 0.00 0.63 0.43 119.26 123.34 2khh h ALA 570 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.43 2khh h ALA 570 Cb 1.91 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.64 2khh h ALA 570 CO 0.15 0.00 -2.30 -0.85 0.00 0.00 0.00 179.25 176.25 2khh n GLU 571 N -2.96 0.60 0.00 0.00 0.28 0.26 -1.20 120.64 117.63 2khh n GLU 571 Ca -0.00 0.12 0.11 0.00 -0.16 0.00 0.00 57.16 57.23 2khh n GLU 571 Cb 0.21 -1.46 0.51 0.00 1.43 0.00 0.00 31.44 32.13 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 -3.14 0.11 -0.35 3.44 6.02 0.44 -2.39 117.38 121.51 2khh n GLN 572 Ca -0.40 0.10 0.08 0.00 -0.01 0.00 0.00 57.00 56.78 2khh n GLN 572 Cb 0.94 -1.50 0.26 0.00 1.02 0.00 0.00 30.24 30.96 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 -1.42 3.71 -0.44 1.08 3.41 0.15 -4.93 113.62 115.18 2khh n SER 573 Ca 0.07 -2.20 -0.06 0.00 -0.26 0.00 0.00 58.87 56.42 2khh n SER 573 Cb 0.23 -0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 63.75 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 0.86 -4.76 -2.90 4.04 3.02 -1.00 -2.66 115.26 111.85 2khh n ASN 574 Ca 0.19 0.14 -0.22 0.00 -0.03 0.00 0.00 54.58 54.66 2khh n ASN 574 Cb 0.63 -2.77 0.02 0.00 -0.61 0.00 0.00 39.78 37.06 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 -2.48 -1.76 0.00 3.10 7.02 -0.34 -4.93 117.44 118.05 2khh n TRP 575 Ca -0.06 0.41 0.00 0.00 -1.02 0.00 0.00 57.50 56.83 2khh n TRP 575 Cb 0.37 -4.30 0.00 0.00 -2.42 0.00 0.00 31.31 24.96 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 -2.40 0.00 0.00 -0.99 2.85 -1.09 -5.05 115.26 108.58 2khh n ASN 576 Ca -0.14 0.27 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 2khh n ASN 576 Cb 0.63 -0.26 0.00 0.00 1.24 0.00 0.00 39.78 41.39 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 -1.28 0.00 -0.33 1.20 9.36 -1.26 -4.88 117.16 119.97 2khh n TYR 577 Ca 0.00 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.27 2khh n TYR 577 Cb 0.00 0.00 0.13 0.00 -0.63 0.00 0.00 39.34 38.84 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 -0.44 2.98 5.08 -1.96 1.97 114.58 122.20 2khh h GLU 578 Ca 0.00 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 2khh h GLU 578 Cb 0.00 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2khh h GLU 578 CO 0.00 0.00 -0.19 -0.24 -1.00 0.00 0.00 179.01 177.59 2khh h VAL 579 N 0.00 1.27 0.02 3.13 3.04 -1.90 -1.70 116.25 120.12 2khh h VAL 579 Ca 0.45 -1.31 0.00 0.00 -1.01 0.00 0.00 66.70 64.83 2khh h VAL 579 Cb 0.71 1.13 -0.01 0.00 -2.01 0.00 0.00 31.29 31.11 2khh h VAL 579 CO -0.94 0.45 -0.11 0.00 -1.01 0.00 0.00 177.57 175.96 2khh h ALA 580 N 1.03 -0.65 -0.74 3.17 0.00 0.27 4.01 119.26 126.35 2khh h ALA 580 Ca 0.11 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.06 2khh h ALA 580 Cb 0.71 0.53 -0.09 0.00 0.00 0.00 0.00 17.79 18.95 2khh h ALA 580 CO 0.05 -0.67 -0.44 -0.89 0.00 0.00 0.00 179.25 177.30 2khh n ILE 581 N -3.05 -0.51 -0.20 0.00 2.08 0.11 0.30 119.36 118.09 2khh n ILE 581 Ca -0.02 2.00 0.00 0.00 0.56 0.00 0.00 62.75 65.29 2khh n ILE 581 Cb 0.08 -2.48 0.09 0.00 -0.75 0.00 0.00 39.64 36.58 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 0.09 -0.61 0.38 1.57 -0.52 -0.84 116.57 116.64 2khh h LYS 582 Ca 0.12 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.95 2khh h LYS 582 Cb 0.30 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.52 2khh h LYS 582 CO -0.70 0.06 -0.37 0.78 -0.57 0.00 0.00 179.45 178.65 2khh h GLY 583 N 0.09 -1.56 -0.18 3.86 0.00 2.59 3.33 103.07 111.20 2khh h GLY 583 Ca 0.31 0.94 0.02 0.00 0.00 0.00 0.00 47.33 48.60 2khh h GLY 583 CO -0.53 -0.37 -0.25 -2.75 0.00 0.00 0.00 176.54 172.64 2khh h PHE 584 N -0.01 -0.75 0.00 5.60 3.57 0.49 1.23 116.94 127.07 2khh h PHE 584 Ca 0.10 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.63 2khh h PHE 584 Cb 0.26 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.35 2khh h PHE 584 CO -0.99 -0.21 0.00 0.00 -2.23 0.00 0.00 178.31 174.88 2khh n GLN 585 N -3.87 0.76 0.00 1.11 10.64 -0.00 -3.55 117.38 122.46 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 0.15 -1.26 0.00 0.00 -0.86 0.00 0.00 30.24 28.27 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 0.35 0.00 0.14 2.61 2.88 1.09 -4.78 113.62 115.91 2khh n SER 586 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 2khh n SER 586 Cb 0.28 -0.08 -0.08 0.00 -0.75 0.00 0.00 64.21 63.57 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 -1.26 -5.57 -3.46 0.02 -1.60 -3.45 113.55 98.23 2khh h SER 587 Ca 0.00 0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 61.01 2khh h SER 587 Cb 0.00 0.46 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 2khh h SER 587 CO 0.00 -0.52 -0.15 0.80 -1.14 0.00 0.00 176.83 175.82 2khh n MET 588 N -5.48 -0.33 0.00 3.45 0.00 -1.23 -4.53 117.12 109.00 2khh n MET 588 Ca -0.08 0.02 0.00 0.00 0.00 0.00 0.00 57.70 57.64 2khh n MET 588 Cb 0.39 -0.19 0.00 0.00 0.00 0.00 0.00 33.22 33.42 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 0.13 0.00 0.00 6.12 2.85 -1.26 -4.96 115.26 118.14 2khh n ASN 589 Ca -0.04 -0.32 0.00 0.00 -0.11 0.00 0.00 54.58 54.11 2khh n ASN 589 Cb 0.09 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.11 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 3.65 8.20 0.00 -1.26 -5.08 105.19 110.70 2khh n GLY 590 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.27 0.14 -1.62 -0.61 -5.35 -1.26 -4.95 119.36 105.44 2khh n ILE 591 Ca 0.00 -0.02 -0.29 0.00 -0.27 0.00 0.00 62.75 62.16 2khh n ILE 591 Cb 0.00 -1.36 0.22 0.00 -1.74 0.00 0.00 39.64 36.76 2khh n ILE 591 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2khh n PRO 592 N 3.94 -1.89 0.01 6.28 -0.04 -1.26 -4.83 135.00 137.21 2khh n PRO 592 Ca 0.19 -1.93 0.13 0.00 -0.04 0.00 0.00 63.50 61.85 2khh n PRO 592 Cb 0.24 -1.44 0.55 0.00 -0.04 0.00 0.00 33.50 32.81 2khh n PRO 592 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2khh n ARG 593 N -4.12 0.03 0.03 0.54 1.74 -1.26 -1.54 116.66 112.08 2khh n ARG 593 Ca 0.16 0.07 -0.16 0.00 -0.77 0.00 0.00 57.85 57.15 2khh n ARG 593 Cb 0.57 -1.54 -0.14 0.00 -1.02 0.00 0.00 32.46 30.34 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 0.19 0.16 5.56 5.08 -1.98 -3.37 114.58 120.22 2khh h GLU 594 Ca 0.00 -0.32 -0.21 0.00 -1.00 0.00 0.00 59.36 57.83 2khh h GLU 594 Cb 0.48 0.12 0.02 0.00 0.50 0.00 0.00 28.75 29.88 2khh h GLU 594 CO 0.00 0.99 -0.92 0.00 -1.00 0.00 0.00 179.01 178.08 2khh h ALA 595 N 0.53 -0.10 -1.72 3.43 0.00 -1.79 -3.41 119.26 116.20 2khh h ALA 595 Ca -0.28 -0.72 -0.65 0.00 0.00 0.00 0.00 54.91 53.25 2khh h ALA 595 Cb 2.01 0.11 -0.15 0.00 0.00 0.00 0.00 17.79 19.76 2khh h ALA 595 CO 0.13 0.43 0.68 0.12 0.00 0.00 0.00 179.25 180.60 2khh s PHE 596 N -2.46 2.82 -1.14 0.00 5.36 -0.59 -0.34 117.98 121.63 2khh s PHE 596 Ca -0.13 -0.85 -0.09 0.00 -0.96 0.00 0.00 56.93 54.90 2khh s PHE 596 Cb 0.01 -4.31 0.25 0.00 -0.34 0.00 0.00 43.02 38.64 2khh s PHE 596 CO 0.85 -1.61 1.33 1.33 -1.46 0.00 0.00 175.22 175.66 2khh n VAL 597 N 5.82 4.65 -1.00 3.12 0.24 -1.24 -4.51 118.33 125.42 2khh n VAL 597 Ca 0.07 -5.28 -0.00 0.00 -2.04 0.00 0.00 64.34 57.09 2khh n VAL 597 Cb 0.47 -2.44 -0.00 0.00 -1.47 0.00 0.00 33.84 30.40 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 3.10 -0.39 0.00 7.34 7.27 -1.26 -4.91 117.38 128.53 2khh n GLN 598 Ca 0.28 0.11 0.00 0.00 0.07 0.00 0.00 57.00 57.46 2khh n GLN 598 Cb 0.38 -3.41 0.00 0.00 2.41 0.00 0.00 30.24 29.62 2khh n GLN 598 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32