#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 3.75 0.28 0.55 2.96 -1.26 -5.11 118.68 119.85 2khh s LEU 544 Ca 0.00 -0.21 -0.15 0.00 -0.22 0.00 0.00 54.13 53.55 2khh s LEU 544 Cb 0.00 -2.33 -0.08 0.00 0.50 0.00 0.00 46.19 44.27 2khh s LEU 544 CO 0.00 0.03 0.70 0.21 -1.32 0.00 0.00 176.35 175.97 2khh s ASN 545 N -3.37 6.82 0.58 3.68 2.47 -1.26 -4.90 114.94 118.97 2khh s ASN 545 Ca 0.31 1.26 0.28 0.00 0.42 0.00 0.00 52.86 55.13 2khh s ASN 545 Cb -0.09 -2.36 1.67 0.00 -1.45 0.00 0.00 41.25 39.02 2khh s ASN 545 CO 0.23 -0.12 2.16 1.55 -3.72 0.00 0.00 177.10 177.20 2khh h PRO 546 N 2.63 0.00 0.02 0.43 0.13 -1.99 0.39 132.00 133.60 2khh h PRO 546 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2khh h PRO 546 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2khh h PRO 546 CO 0.66 0.00 -0.01 0.28 -0.23 0.00 0.00 178.00 178.70 2khh h VAL 547 N 0.00 1.43 -0.45 1.56 2.07 -1.99 -1.04 116.25 117.82 2khh h VAL 547 Ca 0.06 -1.49 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 2khh h VAL 547 Cb 0.30 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 2khh h VAL 547 CO -0.00 0.37 0.16 1.56 0.02 0.00 0.00 177.57 179.69 2khh h GLN 548 N -0.69 0.69 -0.23 1.57 4.20 -1.75 -1.11 115.11 117.79 2khh h GLN 548 Ca -0.00 -0.14 0.06 0.00 0.06 0.00 0.00 58.65 58.63 2khh h GLN 548 Cb 0.64 -0.11 -0.06 0.00 0.30 0.00 0.00 27.48 28.25 2khh h GLN 548 CO 0.01 0.65 -0.14 1.25 -0.67 0.00 0.00 178.83 179.92 2khh h LEU 549 N 0.59 -0.46 -0.68 1.46 7.12 -0.30 0.24 115.31 123.28 2khh h LEU 549 Ca 0.15 0.10 0.12 0.00 0.13 0.00 0.00 57.88 58.38 2khh h LEU 549 Cb 0.23 0.24 -0.08 0.00 -0.53 0.00 0.00 40.66 40.52 2khh h LEU 549 CO -0.01 -0.18 0.26 -0.33 -0.13 0.00 0.00 178.44 178.05 2khh h GLU 550 N -0.12 0.41 -0.21 1.25 5.08 -0.84 0.76 114.58 120.91 2khh h GLU 550 Ca 0.13 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 2khh h GLU 550 Cb 0.32 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2khh h GLU 550 CO -0.31 0.27 -0.07 1.25 -1.00 0.00 0.00 179.01 179.15 2khh h LEU 551 N 0.42 -0.25 -0.85 1.33 5.85 0.39 0.10 115.31 122.31 2khh h LEU 551 Ca 0.36 0.07 0.18 0.00 0.84 0.00 0.00 57.88 59.33 2khh h LEU 551 Cb 0.50 0.15 -0.11 0.00 0.37 0.00 0.00 40.66 41.57 2khh h LEU 551 CO -0.36 -0.09 0.37 -0.07 -0.34 0.00 0.00 178.44 177.95 2khh h LEU 552 N -0.03 0.34 0.24 2.25 3.38 0.16 0.94 115.31 122.60 2khh h LEU 552 Ca 0.10 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 2khh h LEU 552 Cb 0.19 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2khh h LEU 552 CO -0.23 0.07 -0.12 0.78 0.09 0.00 0.00 178.44 179.03 2khh h ASN 553 N 0.45 -0.28 -0.64 -0.43 2.35 0.30 2.16 115.58 119.49 2khh h ASN 553 Ca 0.50 -0.01 0.04 0.00 -0.55 0.00 0.00 56.30 56.28 2khh h ASN 553 Cb 0.86 0.07 -0.04 0.00 0.05 0.00 0.00 38.32 39.27 2khh h ASN 553 CO -0.47 -0.18 0.42 0.50 -1.65 0.00 0.00 177.43 176.06 2khh h LYS 554 N -0.35 0.73 -0.29 0.81 1.63 0.56 0.88 116.57 120.54 2khh h LYS 554 Ca -0.03 -0.04 -0.17 0.00 -0.85 0.00 0.00 60.65 59.56 2khh h LYS 554 Cb 0.27 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 31.74 2khh h LYS 554 CO 0.06 0.48 -0.46 1.25 -3.45 0.00 0.00 179.45 177.32 2khh h LEU 555 N 0.75 0.91 0.00 5.20 5.85 0.18 0.44 115.31 128.64 2khh h LEU 555 Ca 0.26 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2khh h LEU 555 Cb 0.09 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.86 2khh h LEU 555 CO -0.07 1.25 0.00 1.57 -0.34 0.00 0.00 178.44 180.85 2khh n HIS 556 N -4.09 0.00 0.35 1.25 -0.00 0.72 -0.53 115.22 112.92 2khh n HIS 556 Ca -0.04 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.20 2khh n HIS 556 Cb 0.58 -0.24 -0.08 0.00 -0.12 0.00 0.00 29.99 30.13 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 -1.24 0.35 -0.09 0.27 7.99 0.29 -3.24 117.00 121.33 2khh n LEU 557 Ca 0.15 -0.32 -0.16 0.00 -0.01 0.00 0.00 56.01 55.67 2khh n LEU 557 Cb 0.21 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.44 2khh n LEU 557 CO 0.21 0.09 -1.10 1.21 -1.51 0.00 0.00 177.39 176.28 2khh n GLU 558 N -1.51 0.42 -0.02 3.23 4.07 0.15 -4.64 120.64 122.34 2khh n GLU 558 Ca 0.01 0.13 0.09 0.00 -0.06 0.00 0.00 57.16 57.33 2khh n GLU 558 Cb 0.23 -1.26 -0.16 0.00 -0.06 0.00 0.00 31.44 30.18 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 -3.38 0.13 -2.45 6.31 5.66 0.31 -4.95 114.28 115.91 2khh n THR 559 Ca -0.33 -0.52 -0.01 0.00 -3.05 0.00 0.00 64.05 60.14 2khh n THR 559 Cb 0.80 -0.04 -0.00 0.00 -1.55 0.00 0.00 70.33 69.54 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 -2.29 -2.89 -1.37 1.09 5.02 -0.82 -4.67 118.16 112.24 2khh n LYS 560 Ca -0.07 0.04 -0.24 0.00 -2.02 0.00 0.00 58.31 56.02 2khh n LYS 560 Cb 0.61 -4.53 -0.09 0.00 -0.02 0.00 0.00 35.03 31.01 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 -2.47 6.36 -1.68 -0.35 -0.00 -1.25 -3.63 117.00 113.99 2khh n LEU 561 Ca -0.01 -3.88 0.00 0.00 -0.00 0.00 0.00 56.01 52.12 2khh n LEU 561 Cb 0.49 -1.33 0.00 0.00 -0.00 0.00 0.00 43.42 42.58 2khh n LEU 561 CO 0.01 1.78 -0.39 -3.20 -0.00 0.00 0.00 177.39 175.59 2khh n ASN 562 N 1.65 -7.86 0.00 1.45 5.15 0.34 -3.31 115.26 112.67 2khh n ASN 562 Ca 0.50 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.60 2khh n ASN 562 Cb 0.62 -4.17 0.00 0.00 -0.53 0.00 0.00 39.78 35.70 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 1.06 -0.02 -0.13 5.20 0.00 -1.26 0.27 120.51 125.63 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 0.25 -0.01 0.00 0.00 0.00 0.00 19.45 19.69 2khh n ALA 563 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2khh n GLU 564 N -1.29 -0.12 -0.02 0.00 -0.58 -1.26 0.33 120.64 117.70 2khh n GLU 564 Ca 0.00 0.51 -0.12 0.00 -0.42 0.00 0.00 57.16 57.13 2khh n GLU 564 Cb 0.00 -0.75 -0.07 0.00 -0.57 0.00 0.00 31.44 30.04 2khh n GLU 564 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 2khh h TYR 565 N 0.00 0.15 -0.91 -0.32 -1.99 -1.55 -1.50 116.97 110.85 2khh h TYR 565 Ca 0.08 -0.03 0.24 0.00 2.00 0.00 0.00 58.73 61.03 2khh h TYR 565 Cb 0.16 -0.04 -0.13 0.00 2.00 0.00 0.00 36.73 38.72 2khh h TYR 565 CO -0.32 0.40 0.37 0.00 -0.00 0.00 0.00 178.16 178.61 2khh h THR 566 N -0.15 0.39 -0.37 -2.88 1.03 2.21 1.65 112.91 114.79 2khh h THR 566 Ca 0.02 -0.11 -0.01 0.00 -0.01 0.00 0.00 66.41 66.30 2khh h THR 566 Cb 0.35 0.04 -0.02 0.00 -1.07 0.00 0.00 68.15 67.45 2khh h THR 566 CO 0.00 0.06 0.21 0.15 -0.01 0.00 0.00 175.52 175.93 2khh h PHE 567 N 0.32 0.51 -1.20 0.00 3.04 0.80 0.31 116.94 120.72 2khh h PHE 567 Ca 0.59 -0.01 0.35 0.00 3.98 0.00 0.00 57.97 62.87 2khh h PHE 567 Cb 1.18 -0.16 -0.06 0.00 2.56 0.00 0.00 35.95 39.47 2khh h PHE 567 CO -0.16 0.39 0.85 1.98 -2.02 0.00 0.00 178.31 179.36 2khh h MET 568 N 0.47 0.05 0.05 1.11 4.05 0.34 1.55 114.93 122.55 2khh h MET 568 Ca 0.13 -0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.29 2khh h MET 568 Cb 0.05 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 2khh h MET 568 CO -0.02 0.04 -1.30 1.25 0.23 0.00 0.00 176.91 177.10 2khh h LEU 569 N 0.06 0.16 -1.95 3.39 6.46 0.17 0.54 115.31 124.13 2khh h LEU 569 Ca 0.59 -0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 58.14 2khh h LEU 569 Cb 2.23 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 42.11 2khh h LEU 569 CO -0.06 1.17 -0.02 0.00 -0.62 0.00 0.00 178.44 178.91 2khh h ALA 570 N 0.81 1.03 0.00 1.25 0.00 0.54 0.52 119.26 123.41 2khh h ALA 570 Ca -0.14 -0.02 -0.39 0.00 0.00 0.00 0.00 54.91 54.36 2khh h ALA 570 Cb 1.91 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.62 2khh h ALA 570 CO 0.14 0.03 -2.46 -0.85 0.00 0.00 0.00 179.25 176.10 2khh n GLU 571 N -3.15 0.66 0.00 0.00 0.28 0.26 -0.79 120.64 117.90 2khh n GLU 571 Ca -0.01 0.14 0.11 0.00 -0.16 0.00 0.00 57.16 57.24 2khh n GLU 571 Cb 0.23 -1.52 0.53 0.00 1.43 0.00 0.00 31.44 32.11 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 -3.23 0.17 -0.24 3.44 6.02 0.18 -2.41 117.38 121.31 2khh n GLN 572 Ca -0.45 0.09 0.08 0.00 -0.01 0.00 0.00 57.00 56.71 2khh n GLN 572 Cb 1.00 -1.50 0.21 0.00 1.02 0.00 0.00 30.24 30.97 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 -1.39 3.27 -0.27 1.08 3.41 0.18 -4.94 113.62 114.95 2khh n SER 573 Ca 0.08 -1.98 -0.04 0.00 -0.26 0.00 0.00 58.87 56.68 2khh n SER 573 Cb 0.22 -0.31 -0.02 0.00 -0.26 0.00 0.00 64.21 63.85 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 0.94 -4.64 -2.82 4.04 3.02 -1.01 -2.75 115.26 112.04 2khh n ASN 574 Ca 0.16 0.09 -0.22 0.00 -0.03 0.00 0.00 54.58 54.58 2khh n ASN 574 Cb 0.50 -2.45 0.03 0.00 -0.61 0.00 0.00 39.78 37.24 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 -2.49 -1.73 0.00 3.10 7.02 0.03 -4.94 117.44 118.43 2khh n TRP 575 Ca -0.04 0.41 0.00 0.00 -1.02 0.00 0.00 57.50 56.85 2khh n TRP 575 Cb 0.32 -4.34 0.00 0.00 -2.42 0.00 0.00 31.31 24.87 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 -2.32 0.00 0.00 -0.99 4.05 -1.11 -5.05 115.26 109.84 2khh n ASN 576 Ca -0.14 0.33 0.00 0.00 0.45 0.00 0.00 54.58 55.23 2khh n ASN 576 Cb 0.63 -0.31 0.00 0.00 1.23 0.00 0.00 39.78 41.33 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 -1.43 0.00 -0.33 1.20 9.36 -1.26 -4.88 117.16 119.81 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 0.01 -0.37 2.98 4.81 -1.97 2.06 114.58 122.10 2khh h GLU 578 Ca 0.00 -0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 2khh h GLU 578 Cb 0.00 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2khh h GLU 578 CO 0.00 0.01 -0.31 -0.24 -0.73 0.00 0.00 179.01 177.73 2khh h VAL 579 N 0.01 1.28 0.09 0.32 3.04 -1.90 -1.63 116.25 117.46 2khh h VAL 579 Ca 0.50 -1.47 0.00 0.00 -1.01 0.00 0.00 66.70 64.72 2khh h VAL 579 Cb 0.86 1.33 -0.02 0.00 -2.01 0.00 0.00 31.29 31.44 2khh h VAL 579 CO -0.94 0.49 -0.25 0.00 -1.01 0.00 0.00 177.57 175.86 2khh h ALA 580 N 0.96 -0.79 -0.24 3.17 0.00 0.28 4.75 119.26 127.39 2khh h ALA 580 Ca 0.07 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2khh h ALA 580 Cb 0.86 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 2khh h ALA 580 CO 0.08 -0.85 -0.16 0.82 0.00 0.00 0.00 179.25 179.14 2khh h ILE 581 N -0.37 0.00 -1.06 0.00 1.08 -0.24 2.68 117.51 119.59 2khh h ILE 581 Ca -0.01 0.00 0.29 0.00 -0.39 0.00 0.00 64.86 64.75 2khh h ILE 581 Cb 0.36 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.05 2khh h ILE 581 CO -0.12 0.00 0.73 0.11 -0.69 0.00 0.00 178.15 178.18 2khh h LYS 582 N -0.02 0.18 0.05 2.37 1.57 -0.87 0.23 116.57 120.08 2khh h LYS 582 Ca 0.04 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2khh h LYS 582 Cb 0.12 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 2khh h LYS 582 CO -0.24 0.12 -0.47 0.78 -0.57 0.00 0.00 179.45 179.07 2khh h GLY 583 N 0.19 -0.95 0.28 3.86 0.00 2.80 4.28 103.07 113.52 2khh h GLY 583 Ca 0.55 0.58 0.01 0.00 0.00 0.00 0.00 47.33 48.47 2khh h GLY 583 CO -0.14 -0.25 -0.45 -2.75 0.00 0.00 0.00 176.54 172.95 2khh h PHE 584 N -0.66 -1.26 0.00 5.60 3.57 0.15 0.91 116.94 125.25 2khh h PHE 584 Ca 0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2khh h PHE 584 Cb 0.70 0.53 0.00 0.00 2.79 0.00 0.00 35.95 39.98 2khh h PHE 584 CO -0.44 -0.55 0.00 1.04 -2.23 0.00 0.00 178.31 176.13 2khh n GLN 585 N -5.48 0.04 0.00 1.11 1.13 -0.60 -3.07 117.38 110.51 2khh n GLN 585 Ca -0.08 0.25 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 2khh n GLN 585 Cb 0.39 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.24 2khh n GLN 585 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2khh n SER 586 N -1.27 0.00 -0.23 1.08 2.88 1.40 -4.58 113.62 112.90 2khh n SER 586 Ca 0.01 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.43 2khh n SER 586 Cb 0.02 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.39 2khh n SER 586 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2khh h SER 587 N 0.00 -1.88 -6.39 -3.46 0.87 -1.62 -3.44 113.55 97.64 2khh h SER 587 Ca 0.00 0.27 -0.05 0.00 -1.23 0.00 0.00 61.79 60.78 2khh h SER 587 Cb 0.00 0.80 -0.00 0.00 -0.44 0.00 0.00 62.40 62.76 2khh h SER 587 CO 0.00 -0.34 -0.10 0.80 -0.53 0.00 0.00 176.83 176.65 2khh n MET 588 N -5.35 -0.60 0.00 2.24 0.00 -1.17 -4.44 117.12 107.80 2khh n MET 588 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 57.70 57.47 2khh n MET 588 Cb 0.32 0.24 0.00 0.00 0.00 0.00 0.00 33.22 33.78 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 0.43 0.00 0.00 6.12 4.05 -1.26 -4.96 115.26 119.64 2khh n ASN 589 Ca -0.02 -0.22 0.00 0.00 0.45 0.00 0.00 54.58 54.79 2khh n ASN 589 Cb 0.06 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.07 2khh n ASN 589 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2khh n GLY 590 N 0.00 0.00 3.67 8.20 0.00 -1.26 -5.07 105.19 110.72 2khh n GLY 590 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.33 0.15 -1.25 -0.61 -5.35 -1.26 -4.96 119.36 105.76 2khh n ILE 591 Ca 0.00 -0.03 -0.20 0.00 -0.27 0.00 0.00 62.75 62.25 2khh n ILE 591 Cb 0.01 -1.54 0.16 0.00 -1.74 0.00 0.00 39.64 36.53 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 4.15 -1.70 0.14 6.28 -0.04 -1.26 -4.80 135.00 137.77 2khh n PRO 592 Ca 0.19 -1.30 0.13 0.00 -0.04 0.00 0.00 63.50 62.47 2khh n PRO 592 Cb 0.28 -1.03 0.36 0.00 -0.04 0.00 0.00 33.50 33.06 2khh n PRO 592 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2khh h ARG 593 N 0.00 0.00 0.23 0.54 -0.00 -1.93 -1.16 114.38 112.06 2khh h ARG 593 Ca -0.29 0.00 -0.33 0.00 -0.50 0.00 0.00 59.98 58.86 2khh h ARG 593 Cb 0.84 0.00 0.03 0.00 0.00 0.00 0.00 29.97 30.84 2khh h ARG 593 CO 0.20 0.00 -1.45 0.93 0.00 0.00 0.00 179.97 179.65 2khh h GLU 594 N 0.00 0.49 0.11 0.04 5.08 -1.99 -3.34 114.58 114.98 2khh h GLU 594 Ca 0.00 -0.84 -0.21 0.00 -1.00 0.00 0.00 59.36 57.31 2khh h GLU 594 Cb 0.77 0.31 0.02 0.00 0.50 0.00 0.00 28.75 30.36 2khh h GLU 594 CO 0.00 1.40 -0.89 0.00 -1.00 0.00 0.00 179.01 178.52 2khh h ALA 595 N 0.23 -0.04 -1.88 3.43 0.00 -1.80 -3.41 119.26 115.80 2khh h ALA 595 Ca -0.24 -0.69 -0.68 0.00 0.00 0.00 0.00 54.91 53.30 2khh h ALA 595 Cb 2.14 0.09 -0.18 0.00 0.00 0.00 0.00 17.79 19.84 2khh h ALA 595 CO 0.26 0.46 0.40 0.12 0.00 0.00 0.00 179.25 180.49 2khh s PHE 596 N -2.78 2.96 -1.16 0.00 5.36 -0.45 -0.51 117.98 121.42 2khh s PHE 596 Ca -0.12 -0.98 -0.10 0.00 -0.96 0.00 0.00 56.93 54.77 2khh s PHE 596 Cb 0.03 -4.15 0.24 0.00 -0.34 0.00 0.00 43.02 38.80 2khh s PHE 596 CO 0.86 -1.43 1.32 1.33 -1.46 0.00 0.00 175.22 175.84 2khh n VAL 597 N 5.56 4.56 -1.01 3.12 0.24 -1.24 -4.50 118.33 125.06 2khh n VAL 597 Ca 0.01 -5.18 -0.00 0.00 -2.04 0.00 0.00 64.34 57.13 2khh n VAL 597 Cb 0.45 -2.47 -0.00 0.00 -1.47 0.00 0.00 33.84 30.35 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 3.52 -0.59 0.00 7.34 7.27 -1.26 -4.93 117.38 128.73 2khh n GLN 598 Ca 0.29 0.18 0.00 0.00 0.07 0.00 0.00 57.00 57.54 2khh n GLN 598 Cb 0.39 -3.64 0.00 0.00 2.41 0.00 0.00 30.24 29.40 2khh n GLN 598 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32