#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 2.57 -4.96 0.55 7.94 -1.26 -5.01 117.00 116.83 2khh n LEU 544 Ca 0.00 0.45 -0.22 0.00 -1.11 0.00 0.00 56.01 55.13 2khh n LEU 544 Cb 0.00 -1.40 0.04 0.00 0.53 0.00 0.00 43.42 42.59 2khh n LEU 544 CO 0.00 -2.47 0.41 0.20 -1.11 0.00 0.00 177.39 174.42 2khh s ASN 545 N -2.27 5.26 0.14 1.96 0.01 -1.26 -4.93 114.94 113.84 2khh s ASN 545 Ca 0.66 0.13 -0.11 0.00 -0.71 0.00 0.00 52.86 52.83 2khh s ASN 545 Cb -0.25 -1.01 -0.06 0.00 0.41 0.00 0.00 41.25 40.34 2khh s ASN 545 CO 0.58 -1.18 1.42 1.55 -1.51 0.00 0.00 177.10 177.97 2khh h PRO 546 N -0.03 0.85 0.17 -0.60 0.13 -1.98 -0.69 132.00 129.86 2khh h PRO 546 Ca -0.43 -0.53 -0.00 0.00 -0.87 0.00 0.00 66.00 64.16 2khh h PRO 546 Cb 1.29 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 2khh h PRO 546 CO 0.54 1.17 -0.12 0.28 -0.23 0.00 0.00 178.00 179.64 2khh h VAL 547 N 0.66 0.74 0.36 1.56 2.07 -1.99 0.15 116.25 119.81 2khh h VAL 547 Ca 0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 2khh h VAL 547 Cb 1.14 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2khh h VAL 547 CO 0.12 0.00 -0.22 1.56 0.02 0.00 0.00 177.57 179.05 2khh h GLN 548 N -0.29 -0.53 -0.73 1.57 1.08 -1.97 -1.02 115.11 113.22 2khh h GLN 548 Ca -0.01 0.04 0.13 0.00 -1.45 0.00 0.00 58.65 57.36 2khh h GLN 548 Cb 0.25 0.12 -0.14 0.00 -0.05 0.00 0.00 27.48 27.67 2khh h GLN 548 CO 0.00 -0.36 -0.28 1.25 -0.95 0.00 0.00 178.83 178.50 2khh h LEU 549 N -0.55 -0.99 -0.57 1.46 7.12 -0.90 0.94 115.31 121.80 2khh h LEU 549 Ca -0.04 0.24 0.08 0.00 0.13 0.00 0.00 57.88 58.29 2khh h LEU 549 Cb 0.45 0.56 -0.06 0.00 -0.53 0.00 0.00 40.66 41.08 2khh h LEU 549 CO 0.04 -0.28 0.24 -0.33 -0.13 0.00 0.00 178.44 177.98 2khh h GLU 550 N -0.07 0.43 -0.32 1.25 4.39 -0.61 -0.29 114.58 119.36 2khh h GLU 550 Ca 0.31 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.03 2khh h GLU 550 Cb 0.57 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.08 2khh h GLU 550 CO -0.78 0.28 0.07 1.25 -1.16 0.00 0.00 179.01 178.68 2khh h LEU 551 N 0.44 0.04 -0.79 1.33 5.85 0.19 -0.65 115.31 121.72 2khh h LEU 551 Ca 0.28 0.05 0.16 0.00 0.84 0.00 0.00 57.88 59.20 2khh h LEU 551 Cb 0.30 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.28 2khh h LEU 551 CO -0.26 0.06 0.32 -0.07 -0.34 0.00 0.00 178.44 178.15 2khh h LEU 552 N 0.19 0.29 0.28 2.25 3.38 0.18 0.81 115.31 122.69 2khh h LEU 552 Ca 0.15 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2khh h LEU 552 Cb 0.15 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2khh h LEU 552 CO -0.19 0.09 -0.14 0.78 0.09 0.00 0.00 178.44 179.08 2khh h ASN 553 N 0.44 -0.32 -0.60 -0.43 4.21 0.15 1.37 115.58 120.41 2khh h ASN 553 Ca 0.45 0.00 0.04 0.00 1.21 0.00 0.00 56.30 57.99 2khh h ASN 553 Cb 0.72 0.08 -0.03 0.00 -1.12 0.00 0.00 38.32 37.97 2khh h ASN 553 CO -0.43 -0.22 0.40 0.11 -1.29 0.00 0.00 177.43 175.99 2khh h LYS 554 N -0.39 0.67 -0.16 0.81 1.79 -0.01 0.66 116.57 119.94 2khh h LYS 554 Ca -0.04 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.34 2khh h LYS 554 Cb 0.30 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 2khh h LYS 554 CO 0.06 0.44 -0.12 1.25 -1.08 0.00 0.00 179.45 180.01 2khh h LEU 555 N 0.69 0.38 0.00 2.94 5.85 0.15 0.73 115.31 126.05 2khh h LEU 555 Ca 0.24 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2khh h LEU 555 Cb 0.10 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2khh h LEU 555 CO -0.07 0.75 0.00 1.57 -0.34 0.00 0.00 178.44 180.35 2khh n HIS 556 N -4.58 0.00 0.45 1.25 -0.00 0.46 -0.15 115.22 112.66 2khh n HIS 556 Ca -0.06 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.18 2khh n HIS 556 Cb 0.34 -0.26 -0.08 0.00 -0.12 0.00 0.00 29.99 29.87 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 -1.26 0.45 -0.08 0.27 7.99 0.22 -3.19 117.00 121.39 2khh n LEU 557 Ca 0.11 -0.39 -0.14 0.00 -0.01 0.00 0.00 56.01 55.58 2khh n LEU 557 Cb 0.17 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.41 2khh n LEU 557 CO 0.17 0.11 -1.05 -0.62 -1.51 0.00 0.00 177.39 174.49 2khh n GLU 558 N -1.43 0.38 -0.02 3.23 -0.58 0.25 -4.66 120.64 117.81 2khh n GLU 558 Ca 0.01 0.12 0.07 0.00 -0.42 0.00 0.00 57.16 56.95 2khh n GLU 558 Cb 0.22 -1.22 -0.16 0.00 -0.57 0.00 0.00 31.44 29.71 2khh n GLU 558 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2khh n THR 559 N -3.34 0.23 -2.77 2.62 5.66 0.79 -4.96 114.28 112.52 2khh n THR 559 Ca -0.31 -0.54 -0.06 0.00 -3.05 0.00 0.00 64.05 60.09 2khh n THR 559 Cb 0.77 -0.07 -0.01 0.00 -1.55 0.00 0.00 70.33 69.47 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 -2.32 -2.69 -1.58 1.09 5.02 -0.81 -4.68 118.16 112.19 2khh n LYS 560 Ca -0.09 0.02 -0.30 0.00 -2.02 0.00 0.00 58.31 55.92 2khh n LYS 560 Cb 0.65 -4.52 -0.05 0.00 -0.02 0.00 0.00 35.03 31.09 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 -2.70 6.99 -1.75 -0.35 -0.00 -1.25 -3.53 117.00 114.40 2khh n LEU 561 Ca 0.02 -4.25 0.00 0.00 -0.00 0.00 0.00 56.01 51.78 2khh n LEU 561 Cb 0.49 -1.32 0.00 0.00 -0.00 0.00 0.00 43.42 42.59 2khh n LEU 561 CO 0.13 1.86 -0.39 -3.20 -0.00 0.00 0.00 177.39 175.79 2khh n ASN 562 N 1.53 -7.72 0.00 1.45 5.15 0.33 -3.24 115.26 112.76 2khh n ASN 562 Ca 0.55 1.12 0.00 0.00 -0.60 0.00 0.00 54.58 55.65 2khh n ASN 562 Cb 0.48 -4.29 0.00 0.00 -0.53 0.00 0.00 39.78 35.44 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 1.44 -0.02 -0.19 5.20 0.00 -1.26 0.28 120.51 125.95 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 0.32 -0.02 0.00 0.00 0.00 0.00 19.45 19.75 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 -1.76 -0.16 -0.03 0.00 2.13 -1.26 0.28 120.64 119.84 2khh n GLU 564 Ca 0.00 0.72 -0.12 0.00 0.66 0.00 0.00 57.16 58.42 2khh n GLU 564 Cb 0.00 -1.07 -0.07 0.00 0.27 0.00 0.00 31.44 30.57 2khh n GLU 564 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 2khh h TYR 565 N 0.00 0.18 -0.92 4.31 -1.99 -1.49 -1.55 116.97 115.50 2khh h TYR 565 Ca 0.12 -0.03 0.25 0.00 2.00 0.00 0.00 58.73 61.07 2khh h TYR 565 Cb 0.24 -0.05 -0.13 0.00 2.00 0.00 0.00 36.73 38.79 2khh h TYR 565 CO -0.45 0.38 0.39 0.00 -0.00 0.00 0.00 178.16 178.48 2khh h THR 566 N -0.08 0.40 -0.24 -2.88 1.03 2.08 1.37 112.91 114.58 2khh h THR 566 Ca 0.03 -0.12 -0.00 0.00 -0.01 0.00 0.00 66.41 66.31 2khh h THR 566 Cb 0.31 0.03 -0.01 0.00 -1.07 0.00 0.00 68.15 67.40 2khh h THR 566 CO 0.00 0.06 0.14 0.15 -0.01 0.00 0.00 175.52 175.87 2khh h PHE 567 N 0.34 0.33 -1.24 0.00 3.57 0.13 0.33 116.94 120.39 2khh h PHE 567 Ca 0.60 -0.00 0.36 0.00 3.53 0.00 0.00 57.97 62.45 2khh h PHE 567 Cb 1.20 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 39.78 2khh h PHE 567 CO -0.14 0.26 0.88 1.98 -2.23 0.00 0.00 178.31 179.05 2khh h MET 568 N 0.30 0.06 0.06 1.11 4.05 0.27 1.78 114.93 122.56 2khh h MET 568 Ca 0.09 -0.00 -0.25 0.00 -0.28 0.00 0.00 59.70 59.25 2khh h MET 568 Cb 0.03 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 2khh h MET 568 CO -0.02 0.04 -1.24 1.25 0.23 0.00 0.00 176.91 177.17 2khh h LEU 569 N 0.06 0.19 -2.00 3.39 6.46 0.14 0.27 115.31 123.82 2khh h LEU 569 Ca 0.62 -0.23 -0.00 0.00 -0.12 0.00 0.00 57.88 58.15 2khh h LEU 569 Cb 2.31 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 42.18 2khh h LEU 569 CO -0.07 1.19 -0.00 0.00 -0.62 0.00 0.00 178.44 178.93 2khh h ALA 570 N 0.79 1.00 0.00 1.25 0.00 0.61 0.40 119.26 123.30 2khh h ALA 570 Ca -0.12 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.45 2khh h ALA 570 Cb 1.90 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.63 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 -3.09 0.57 0.00 0.00 0.28 0.26 -1.10 120.64 117.57 2khh n GLU 571 Ca -0.01 0.13 0.09 0.00 -0.16 0.00 0.00 57.16 57.22 2khh n GLU 571 Cb 0.22 -1.46 0.41 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 -3.17 0.01 -0.33 3.44 6.02 0.93 -2.13 117.38 122.15 2khh n GLN 572 Ca -0.40 0.17 0.09 0.00 -0.01 0.00 0.00 57.00 56.84 2khh n GLN 572 Cb 0.93 -1.50 0.25 0.00 1.02 0.00 0.00 30.24 30.94 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 -1.50 3.64 -0.50 1.08 3.41 0.14 -4.93 113.62 114.96 2khh n SER 573 Ca 0.05 -2.11 -0.06 0.00 -0.26 0.00 0.00 58.87 56.48 2khh n SER 573 Cb 0.22 -0.40 -0.03 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 1.00 -4.85 -2.69 4.04 3.02 -0.90 -2.53 115.26 112.35 2khh n ASN 574 Ca 0.19 0.16 -0.21 0.00 -0.03 0.00 0.00 54.58 54.69 2khh n ASN 574 Cb 0.59 -2.92 0.01 0.00 -0.61 0.00 0.00 39.78 36.85 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 -2.46 -1.46 0.00 3.10 7.02 -0.26 -4.92 117.44 118.47 2khh n TRP 575 Ca -0.06 0.23 0.00 0.00 -1.02 0.00 0.00 57.50 56.65 2khh n TRP 575 Cb 0.39 -4.10 0.00 0.00 -2.42 0.00 0.00 31.31 25.18 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 -2.23 0.00 0.00 -0.99 2.85 -1.05 -5.04 115.26 108.80 2khh n ASN 576 Ca -0.18 0.48 0.00 0.00 -0.11 0.00 0.00 54.58 54.77 2khh n ASN 576 Cb 0.65 -0.38 0.00 0.00 1.24 0.00 0.00 39.78 41.29 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 -1.64 0.00 -0.33 1.20 9.36 -1.26 -4.87 117.16 119.61 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 0.19 0.00 -0.63 0.00 0.00 39.34 38.90 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 0.01 -0.26 2.98 3.07 -1.97 2.25 114.58 120.67 2khh h GLU 578 Ca 0.00 -0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 2khh h GLU 578 Cb 0.00 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2khh h GLU 578 CO 0.00 0.01 -0.40 -0.24 -1.40 0.00 0.00 179.01 176.98 2khh h VAL 579 N 0.01 1.30 0.11 3.13 3.04 -1.89 -1.55 116.25 120.39 2khh h VAL 579 Ca 0.50 -1.57 -0.00 0.00 -1.01 0.00 0.00 66.70 64.62 2khh h VAL 579 Cb 0.89 1.53 -0.01 0.00 -2.01 0.00 0.00 31.29 31.69 2khh h VAL 579 CO -0.92 0.50 -0.15 0.00 -1.01 0.00 0.00 177.57 175.98 2khh h ALA 580 N 1.05 -0.80 -0.36 3.17 0.00 0.33 5.16 119.26 127.79 2khh h ALA 580 Ca 0.04 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.94 2khh h ALA 580 Cb 0.92 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 2khh h ALA 580 CO 0.08 -0.82 -0.21 -0.89 0.00 0.00 0.00 179.25 177.40 2khh n ILE 581 N -3.26 -0.25 -0.34 0.00 2.08 0.13 0.30 119.36 118.02 2khh n ILE 581 Ca -0.03 1.83 0.20 0.00 0.56 0.00 0.00 62.75 65.31 2khh n ILE 581 Cb 0.13 -2.35 0.45 0.00 -0.75 0.00 0.00 39.64 37.12 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 0.48 -0.43 0.38 1.57 -0.97 0.15 116.57 117.75 2khh h LYS 582 Ca 0.06 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 2khh h LYS 582 Cb 0.15 -0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.26 2khh h LYS 582 CO -0.34 0.31 -0.51 0.78 -0.57 0.00 0.00 179.45 179.12 2khh h GLY 583 N 0.49 -0.83 0.34 3.86 0.00 2.88 4.66 103.07 114.46 2khh h GLY 583 Ca 0.62 0.66 0.01 0.00 0.00 0.00 0.00 47.33 48.62 2khh h GLY 583 CO -0.38 -0.14 -0.42 -2.75 0.00 0.00 0.00 176.54 172.85 2khh h PHE 584 N -0.36 -1.17 0.00 5.60 3.57 0.11 0.97 116.94 125.66 2khh h PHE 584 Ca 0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.63 2khh h PHE 584 Cb 0.59 0.49 0.00 0.00 2.79 0.00 0.00 35.95 39.82 2khh h PHE 584 CO -0.70 -0.53 0.00 1.04 -2.23 0.00 0.00 178.31 175.89 2khh n GLN 585 N -5.47 0.22 0.00 1.11 1.13 0.27 -2.61 117.38 112.03 2khh n GLN 585 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 2khh n GLN 585 Cb 0.38 -1.36 0.00 0.00 0.11 0.00 0.00 30.24 29.37 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 -0.86 0.00 0.22 1.08 2.88 1.50 -4.48 113.62 113.97 2khh n SER 586 Ca 0.04 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.67 2khh n SER 586 Cb 0.02 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 63.96 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 0.00 0.00 -3.46 0.02 -1.62 -3.42 113.55 105.07 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 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2khh h SER 587 CO 0.00 0.00 0.25 0.80 -1.14 0.00 0.00 176.83 176.74 2khh n MET 588 N -2.31 0.00 0.00 3.45 0.00 -1.07 -2.90 117.12 114.28 2khh n MET 588 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.69 2khh n MET 588 Cb 0.37 -0.27 0.00 0.00 0.00 0.00 0.00 33.22 33.31 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 1.18 0.00 0.00 6.12 4.05 -1.26 -4.98 115.26 120.38 2khh n ASN 589 Ca 0.00 -0.02 0.00 0.00 0.45 0.00 0.00 54.58 55.01 2khh n ASN 589 Cb 0.13 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.14 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 3.56 8.20 0.00 -1.14 -5.07 105.19 110.74 2khh n GLY 590 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.46 2khh n GLY 590 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2khh n ILE 591 N -1.26 0.01 -1.38 -0.61 5.41 -1.26 -4.92 119.36 115.35 2khh n ILE 591 Ca 0.00 -0.00 -0.23 0.00 1.00 0.00 0.00 62.75 63.51 2khh n ILE 591 Cb 0.19 -0.45 0.18 0.00 -0.71 0.00 0.00 39.64 38.84 2khh n ILE 591 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2khh n PRO 592 N 2.22 -1.76 0.08 0.38 -0.04 -1.26 -4.81 135.00 129.80 2khh n PRO 592 Ca 0.20 -1.52 0.13 0.00 -0.04 0.00 0.00 63.50 62.27 2khh n PRO 592 Cb 0.13 -1.17 0.46 0.00 -0.04 0.00 0.00 33.50 32.87 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 -3.63 0.20 0.12 0.54 1.74 -1.26 -1.37 116.66 113.00 2khh n ARG 593 Ca 0.13 0.18 -0.24 0.00 -0.77 0.00 0.00 57.85 57.14 2khh n ARG 593 Cb 0.46 -1.74 -0.16 0.00 -1.02 0.00 0.00 32.46 30.01 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 0.48 0.09 5.56 5.08 -1.99 -3.35 114.58 120.45 2khh h GLU 594 Ca 0.00 -0.83 -0.23 0.00 -1.00 0.00 0.00 59.36 57.31 2khh h GLU 594 Cb 0.66 0.31 0.02 0.00 0.50 0.00 0.00 28.75 30.24 2khh h GLU 594 CO 0.00 1.40 -0.94 0.00 -1.00 0.00 0.00 179.01 178.46 2khh h ALA 595 N 0.13 -0.00 -1.83 3.43 0.00 -1.81 -3.41 119.26 115.77 2khh h ALA 595 Ca -0.29 -0.69 -0.67 0.00 0.00 0.00 0.00 54.91 53.25 2khh h ALA 595 Cb 2.14 0.09 -0.17 0.00 0.00 0.00 0.00 17.79 19.84 2khh h ALA 595 CO 0.24 0.51 0.43 0.12 0.00 0.00 0.00 179.25 180.54 2khh s PHE 596 N -2.92 2.90 -0.72 0.00 5.36 -0.47 -0.51 117.98 121.62 2khh s PHE 596 Ca -0.12 -0.90 -0.16 0.00 -0.96 0.00 0.00 56.93 54.80 2khh s PHE 596 Cb 0.04 -4.18 0.16 0.00 -0.34 0.00 0.00 43.02 38.70 2khh s PHE 596 CO 0.87 -1.48 0.73 0.14 -1.46 0.00 0.00 175.22 174.03 2khh s VAL 597 N 3.20 5.26 -0.96 3.12 -7.23 -1.23 -4.48 120.40 118.08 2khh s VAL 597 Ca 0.20 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.53 2khh s VAL 597 Cb -0.17 -4.48 0.00 0.00 0.56 0.00 0.00 36.38 32.29 2khh s VAL 597 CO 0.05 -1.06 0.00 0.00 -0.31 0.00 0.00 175.10 173.77 2khh n GLN 598 N 5.04 -1.74 0.00 4.82 1.13 -1.26 -4.85 117.38 120.52 2khh n GLN 598 Ca 0.04 0.79 0.00 0.00 -1.94 0.00 0.00 57.00 55.89 2khh n GLN 598 Cb 0.45 -5.17 0.00 0.00 0.11 0.00 0.00 30.24 25.63 2khh n GLN 598 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81