#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 -1.12 -5.00 0.55 7.94 -1.26 -4.96 117.00 113.15 2khh n LEU 544 Ca 0.00 2.51 -0.19 0.00 -1.11 0.00 0.00 56.01 57.22 2khh n LEU 544 Cb 0.00 -3.09 0.02 0.00 0.53 0.00 0.00 43.42 40.88 2khh n LEU 544 CO 0.00 -2.04 0.20 0.20 -1.11 0.00 0.00 177.39 174.64 2khh s ASN 545 N -7.14 5.34 0.32 1.96 0.01 -1.26 -4.94 114.94 109.23 2khh s ASN 545 Ca 0.00 -0.65 0.13 0.00 -0.71 0.00 0.00 52.86 51.63 2khh s ASN 545 Cb 0.00 -0.25 0.50 0.00 0.41 0.00 0.00 41.25 41.92 2khh s ASN 545 CO 0.00 -0.98 1.68 -0.65 -1.51 0.00 0.00 177.10 175.64 2khh h PRO 546 N 0.52 0.00 0.11 -0.60 0.11 -1.98 0.80 132.00 130.97 2khh h PRO 546 Ca -0.36 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 2khh h PRO 546 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2khh h PRO 546 CO 0.45 0.51 -0.06 0.28 -0.21 0.00 0.00 178.00 178.98 2khh h VAL 547 N 0.00 1.09 -0.08 3.15 2.07 -1.99 -0.80 116.25 119.69 2khh h VAL 547 Ca -0.01 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 2khh h VAL 547 Cb 0.98 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 32.45 2khh h VAL 547 CO 0.07 0.23 0.02 1.56 0.02 0.00 0.00 177.57 179.47 2khh h GLN 548 N -0.65 0.13 -0.44 1.57 4.20 -1.97 -1.16 115.11 116.80 2khh h GLN 548 Ca -0.02 -0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.75 2khh h GLN 548 Cb 0.50 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.17 2khh h GLN 548 CO 0.03 0.32 -0.21 1.25 -0.67 0.00 0.00 178.83 179.55 2khh h LEU 549 N -0.08 -0.73 -0.50 1.46 7.12 -0.88 0.28 115.31 121.99 2khh h LEU 549 Ca 0.03 0.17 0.09 0.00 0.13 0.00 0.00 57.88 58.29 2khh h LEU 549 Cb 0.25 0.39 -0.07 0.00 -0.53 0.00 0.00 40.66 40.70 2khh h LEU 549 CO 0.00 -0.24 0.08 -0.33 -0.13 0.00 0.00 178.44 177.82 2khh h GLU 550 N -0.12 0.21 -0.36 1.25 4.39 -0.94 -0.07 114.58 118.94 2khh h GLU 550 Ca 0.21 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.97 2khh h GLU 550 Cb 0.45 -0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 28.98 2khh h GLU 550 CO -0.52 0.14 -0.16 1.25 -1.16 0.00 0.00 179.01 178.57 2khh h LEU 551 N 0.22 -0.53 -0.69 1.33 5.85 0.70 0.12 115.31 122.30 2khh h LEU 551 Ca 0.25 0.13 0.15 0.00 0.84 0.00 0.00 57.88 59.25 2khh h LEU 551 Cb 0.35 0.30 -0.11 0.00 0.37 0.00 0.00 40.66 41.57 2khh h LEU 551 CO -0.34 -0.19 0.09 -0.07 -0.34 0.00 0.00 178.44 177.59 2khh h LEU 552 N -0.09 -0.13 0.26 2.25 3.38 0.11 0.90 115.31 121.99 2khh h LEU 552 Ca 0.18 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2khh h LEU 552 Cb 0.36 0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2khh h LEU 552 CO -0.42 -0.08 -0.30 0.78 0.09 0.00 0.00 178.44 178.51 2khh h ASN 553 N 0.19 -0.81 -0.53 -0.43 -0.26 0.25 2.24 115.58 116.23 2khh h ASN 553 Ca 0.38 0.08 0.06 0.00 -0.56 0.00 0.00 56.30 56.26 2khh h ASN 553 Cb 0.64 0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 38.16 2khh h ASN 553 CO -0.53 -0.42 0.35 0.50 -1.06 0.00 0.00 177.43 176.27 2khh h LYS 554 N -0.60 0.45 -0.17 0.81 1.63 0.27 0.79 116.57 119.76 2khh h LYS 554 Ca -0.00 -0.03 -0.11 0.00 -0.85 0.00 0.00 60.65 59.66 2khh h LYS 554 Cb 0.57 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 2khh h LYS 554 CO -0.09 0.30 -0.33 1.25 -3.45 0.00 0.00 179.45 177.14 2khh h LEU 555 N 0.47 0.58 0.00 5.20 5.85 0.25 0.46 115.31 128.12 2khh h LEU 555 Ca 0.23 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2khh h LEU 555 Cb 0.31 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2khh h LEU 555 CO -0.06 1.02 0.00 1.57 -0.34 0.00 0.00 178.44 180.63 2khh n HIS 556 N -4.34 0.00 0.30 1.25 -0.00 0.74 -0.32 115.22 112.86 2khh n HIS 556 Ca -0.06 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.17 2khh n HIS 556 Cb 0.49 -0.19 -0.08 0.00 -0.12 0.00 0.00 29.99 30.10 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 -1.19 0.30 -0.09 0.27 7.99 0.26 -3.24 117.00 121.30 2khh n LEU 557 Ca 0.15 -0.28 -0.16 0.00 -0.01 0.00 0.00 56.01 55.71 2khh n LEU 557 Cb 0.17 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.40 2khh n LEU 557 CO 0.18 0.08 -1.11 1.21 -1.51 0.00 0.00 177.39 176.24 2khh n GLU 558 N -1.55 0.42 -0.02 3.23 4.07 0.16 -4.63 120.64 122.31 2khh n GLU 558 Ca 0.00 0.14 0.06 0.00 -0.06 0.00 0.00 57.16 57.30 2khh n GLU 558 Cb 0.24 -1.27 -0.16 0.00 -0.06 0.00 0.00 31.44 30.19 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 -3.39 0.36 -2.95 6.31 5.66 0.57 -4.95 114.28 115.89 2khh n THR 559 Ca -0.34 -0.58 -0.10 0.00 -3.05 0.00 0.00 64.05 59.98 2khh n THR 559 Cb 0.80 -0.14 -0.02 0.00 -1.55 0.00 0.00 70.33 69.42 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 -2.41 -2.50 -1.51 1.09 5.02 -0.82 -4.64 118.16 112.38 2khh n LYS 560 Ca -0.10 0.06 -0.28 0.00 -2.02 0.00 0.00 58.31 55.97 2khh n LYS 560 Cb 0.70 -4.58 -0.06 0.00 -0.02 0.00 0.00 35.03 31.07 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 -2.86 6.69 -1.63 -0.35 -0.00 -1.25 -3.54 117.00 114.05 2khh n LEU 561 Ca 0.02 -4.11 0.00 0.00 -0.00 0.00 0.00 56.01 51.92 2khh n LEU 561 Cb 0.49 -1.29 0.00 0.00 -0.00 0.00 0.00 43.42 42.62 2khh n LEU 561 CO 0.22 1.80 -0.37 -3.20 -0.00 0.00 0.00 177.39 175.85 2khh n ASN 562 N 1.36 -7.44 0.00 1.45 5.15 0.30 -3.34 115.26 112.74 2khh n ASN 562 Ca 0.52 1.05 0.00 0.00 -0.60 0.00 0.00 54.58 55.55 2khh n ASN 562 Cb 0.53 -3.99 0.00 0.00 -0.53 0.00 0.00 39.78 35.79 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 1.15 -0.01 -0.15 5.20 0.00 -1.26 0.26 120.51 125.70 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 0.24 -0.01 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.20 -0.12 0.01 0.00 1.02 -1.26 0.32 120.64 119.40 2khh n GLU 564 Ca 0.00 0.55 -0.12 0.00 -0.02 0.00 0.00 57.16 57.57 2khh n GLU 564 Cb 0.00 -0.82 -0.08 0.00 -0.02 0.00 0.00 31.44 30.52 2khh n GLU 564 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 2khh h TYR 565 N 0.00 0.02 -0.94 -0.32 -1.99 -1.56 -1.52 116.97 110.66 2khh h TYR 565 Ca 0.09 -0.00 0.27 0.00 2.00 0.00 0.00 58.73 61.09 2khh h TYR 565 Cb 0.18 -0.00 -0.14 0.00 2.00 0.00 0.00 36.73 38.76 2khh h TYR 565 CO -0.35 0.25 0.39 0.00 -0.00 0.00 0.00 178.16 178.46 2khh h THR 566 N -0.22 0.32 -0.20 -2.88 1.03 2.08 1.70 112.91 114.74 2khh h THR 566 Ca 0.00 -0.09 -0.00 0.00 -0.01 0.00 0.00 66.41 66.30 2khh h THR 566 Cb 0.24 0.02 -0.01 0.00 -1.07 0.00 0.00 68.15 67.33 2khh h THR 566 CO 0.00 0.05 0.11 0.15 -0.01 0.00 0.00 175.52 175.82 2khh h PHE 567 N 0.28 0.28 -1.28 0.00 3.57 0.61 0.30 116.94 120.70 2khh h PHE 567 Ca 0.64 -0.01 0.37 0.00 3.53 0.00 0.00 57.97 62.50 2khh h PHE 567 Cb 1.36 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.95 2khh h PHE 567 CO -0.14 0.25 0.92 1.98 -2.23 0.00 0.00 178.31 179.09 2khh h MET 568 N 0.22 0.02 0.07 1.11 4.05 0.35 1.71 114.93 122.46 2khh h MET 568 Ca 0.07 -0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 59.22 2khh h MET 568 Cb 0.07 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.84 2khh h MET 568 CO -0.01 0.02 -1.33 1.25 0.23 0.00 0.00 176.91 177.06 2khh h LEU 569 N 0.02 0.22 -1.94 3.39 6.46 0.15 0.15 115.31 123.76 2khh h LEU 569 Ca 0.62 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 58.11 2khh h LEU 569 Cb 2.43 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 42.29 2khh h LEU 569 CO -0.03 1.22 0.00 0.00 -0.62 0.00 0.00 178.44 179.01 2khh h ALA 570 N 0.74 1.00 0.00 1.25 0.00 0.58 0.42 119.26 123.26 2khh h ALA 570 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.41 2khh h ALA 570 Cb 1.93 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.66 2khh h ALA 570 CO 0.15 0.00 -2.32 -0.85 0.00 0.00 0.00 179.25 176.23 2khh n GLU 571 N -3.01 0.58 0.00 0.00 0.28 0.21 -0.74 120.64 117.95 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 0.21 -1.46 0.44 0.00 1.43 0.00 0.00 31.44 32.06 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 -3.20 0.08 -0.33 3.44 6.02 0.51 -2.13 117.38 121.76 2khh n GLN 572 Ca -0.41 0.15 0.09 0.00 -0.01 0.00 0.00 57.00 56.81 2khh n GLN 572 Cb 0.94 -1.50 0.25 0.00 1.02 0.00 0.00 30.24 30.95 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 -1.44 3.63 -0.37 1.08 3.41 0.15 -4.93 113.62 115.15 2khh n SER 573 Ca 0.06 -2.13 -0.05 0.00 -0.26 0.00 0.00 58.87 56.49 2khh n SER 573 Cb 0.21 -0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 63.74 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 -4.57 -2.78 4.04 3.02 -0.91 -2.73 115.26 112.27 2khh n ASN 574 Ca 0.19 0.12 -0.22 0.00 -0.03 0.00 0.00 54.58 54.64 2khh n ASN 574 Cb 0.60 -2.50 0.02 0.00 -0.61 0.00 0.00 39.78 37.29 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 -2.53 -1.59 0.00 3.10 7.02 0.08 -4.93 117.44 118.59 2khh n TRP 575 Ca -0.05 0.31 0.00 0.00 -1.02 0.00 0.00 57.50 56.74 2khh n TRP 575 Cb 0.32 -4.19 0.00 0.00 -2.42 0.00 0.00 31.31 25.03 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 -2.30 0.00 0.00 -0.99 2.85 -1.10 -5.05 115.26 108.66 2khh n ASN 576 Ca -0.16 0.24 0.00 0.00 -0.11 0.00 0.00 54.58 54.55 2khh n ASN 576 Cb 0.64 -0.21 0.00 0.00 1.24 0.00 0.00 39.78 41.45 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 -1.13 0.00 -0.33 1.20 9.36 -1.26 -4.89 117.16 120.11 2khh n TYR 577 Ca 0.00 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.29 2khh n TYR 577 Cb 0.00 0.00 0.17 0.00 -0.63 0.00 0.00 39.34 38.88 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 -0.33 2.98 4.81 -1.97 1.93 114.58 122.01 2khh h GLU 578 Ca 0.00 -0.00 -0.13 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 -0.34 -0.24 -0.73 0.00 0.00 179.01 177.71 2khh h VAL 579 N 0.01 1.28 0.07 0.32 3.04 -1.90 -1.65 116.25 117.42 2khh h VAL 579 Ca 0.48 -1.49 0.00 0.00 -1.01 0.00 0.00 66.70 64.68 2khh h VAL 579 Cb 0.81 1.39 -0.02 0.00 -2.01 0.00 0.00 31.29 31.46 2khh h VAL 579 CO -0.93 0.49 -0.20 0.00 -1.01 0.00 0.00 177.57 175.92 2khh h ALA 580 N 1.00 -0.75 -0.38 3.17 0.00 0.26 4.97 119.26 127.52 2khh h ALA 580 Ca 0.06 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2khh h ALA 580 Cb 0.87 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 2khh h ALA 580 CO 0.08 -0.79 -0.22 -0.89 0.00 0.00 0.00 179.25 177.42 2khh n ILE 581 N -3.57 -0.26 -0.34 0.00 2.08 0.11 0.31 119.36 117.71 2khh n ILE 581 Ca -0.03 1.84 0.22 0.00 0.56 0.00 0.00 62.75 65.34 2khh n ILE 581 Cb 0.16 -2.36 0.48 0.00 -0.75 0.00 0.00 39.64 37.17 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 0.42 -0.16 0.38 1.57 -0.79 0.94 116.57 118.94 2khh h LYS 582 Ca 0.06 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2khh h LYS 582 Cb 0.16 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 2khh h LYS 582 CO -0.36 0.27 -0.44 0.78 -0.57 0.00 0.00 179.45 179.14 2khh h GLY 583 N 0.43 -1.19 -0.03 3.86 0.00 2.95 4.90 103.07 113.99 2khh h GLY 583 Ca 0.62 0.70 0.03 0.00 0.00 0.00 0.00 47.33 48.68 2khh h GLY 583 CO -0.36 -0.27 -0.52 -2.75 0.00 0.00 0.00 176.54 172.65 2khh h PHE 584 N -0.44 -1.51 0.00 5.60 3.57 0.11 1.49 116.94 125.76 2khh h PHE 584 Ca 0.03 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2khh h PHE 584 Cb 0.53 0.67 0.00 0.00 2.79 0.00 0.00 35.95 39.94 2khh h PHE 584 CO -0.59 -0.55 0.00 1.04 -2.23 0.00 0.00 178.31 175.98 2khh n GLN 585 N -5.45 0.02 0.00 1.11 1.13 -0.42 -2.52 117.38 111.24 2khh n GLN 585 Ca -0.06 0.29 0.00 0.00 -1.94 0.00 0.00 57.00 55.29 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 -1.31 0.00 0.12 1.08 2.88 1.59 -4.28 113.62 113.71 2khh n SER 586 Ca 0.01 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.59 2khh n SER 586 Cb 0.01 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 63.69 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 0.00 0.21 -1.68 -3.46 7.64 -1.04 -4.64 113.62 110.64 2khh n SER 587 Ca 0.00 0.44 -0.06 0.00 1.01 0.00 0.00 58.87 60.26 2khh n SER 587 Cb 0.00 -0.37 -0.06 0.00 -1.01 0.00 0.00 64.21 62.77 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 -1.81 0.00 0.00 1.43 0.00 -1.05 -2.71 117.12 112.99 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 0.36 -0.39 0.00 0.00 0.00 0.00 0.00 33.22 33.20 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 2.00 0.00 0.00 6.12 4.05 -1.26 -4.99 115.26 121.19 2khh n ASN 589 Ca 0.17 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.20 2khh n ASN 589 Cb 0.10 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.11 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 3.55 8.20 0.00 -1.10 -5.06 105.19 110.78 2khh n GLY 590 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.71 0.01 -1.29 -0.61 5.41 -1.26 -4.92 119.36 114.98 2khh n ILE 591 Ca 0.00 -0.00 -0.20 0.00 1.00 0.00 0.00 62.75 63.55 2khh n ILE 591 Cb 0.26 -0.31 0.15 0.00 -0.71 0.00 0.00 39.64 39.03 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 2.09 -1.57 0.10 0.38 -0.04 -1.26 -4.81 135.00 129.90 2khh n PRO 592 Ca 0.20 -1.29 0.13 0.00 -0.04 0.00 0.00 63.50 62.50 2khh n PRO 592 Cb 0.10 -1.00 0.42 0.00 -0.04 0.00 0.00 33.50 32.98 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 -3.27 0.25 0.14 0.54 1.74 -1.26 -1.31 116.66 113.48 2khh n ARG 593 Ca 0.11 0.21 -0.25 0.00 -0.77 0.00 0.00 57.85 57.15 2khh n ARG 593 Cb 0.39 -1.79 -0.16 0.00 -1.02 0.00 0.00 32.46 29.88 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 0.52 0.12 5.56 5.08 -1.99 -3.34 114.58 120.54 2khh h GLU 594 Ca 0.00 -0.89 -0.24 0.00 -1.00 0.00 0.00 59.36 57.23 2khh h GLU 594 Cb 0.72 0.33 0.03 0.00 0.50 0.00 0.00 28.75 30.32 2khh h GLU 594 CO 0.00 1.43 -1.00 0.00 -1.00 0.00 0.00 179.01 178.44 2khh h ALA 595 N 0.15 -0.05 -1.84 3.43 0.00 -1.81 -3.41 119.26 115.74 2khh h ALA 595 Ca -0.27 -0.72 -0.67 0.00 0.00 0.00 0.00 54.91 53.25 2khh h ALA 595 Cb 2.16 0.10 -0.17 0.00 0.00 0.00 0.00 17.79 19.88 2khh h ALA 595 CO 0.26 0.51 0.43 0.12 0.00 0.00 0.00 179.25 180.57 2khh s PHE 596 N -2.78 2.91 -1.14 0.00 5.36 -0.43 -0.54 117.98 121.37 2khh s PHE 596 Ca -0.12 -0.91 -0.10 0.00 -0.96 0.00 0.00 56.93 54.84 2khh s PHE 596 Cb 0.03 -4.18 0.26 0.00 -0.34 0.00 0.00 43.02 38.79 2khh s PHE 596 CO 0.88 -1.47 1.25 1.33 -1.46 0.00 0.00 175.22 175.74 2khh n VAL 597 N 5.64 4.57 -0.98 3.12 0.24 -1.23 -4.50 118.33 125.18 2khh n VAL 597 Ca 0.00 -5.27 0.00 0.00 -2.04 0.00 0.00 64.34 57.04 2khh n VAL 597 Cb 0.45 -2.51 0.00 0.00 -1.47 0.00 0.00 33.84 30.31 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 3.23 -0.28 0.00 7.34 7.27 -1.26 -4.90 117.38 128.78 2khh n GLN 598 Ca 0.27 0.07 0.00 0.00 0.07 0.00 0.00 57.00 57.41 2khh n GLN 598 Cb 0.39 -3.25 0.00 0.00 2.41 0.00 0.00 30.24 29.79 2khh n GLN 598 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32