#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 -1.36 -4.74 0.55 7.94 -1.26 -4.83 117.00 113.31 2khh n LEU 544 Ca 0.00 2.63 -0.37 0.00 -1.11 0.00 0.00 56.01 57.16 2khh n LEU 544 Cb 0.00 -3.07 -0.06 0.00 0.53 0.00 0.00 43.42 40.81 2khh n LEU 544 CO 0.00 -1.46 0.12 0.21 -1.11 0.00 0.00 177.39 175.14 2khh s ASN 545 N -6.31 6.64 0.58 1.96 2.47 -1.26 -4.91 114.94 114.12 2khh s ASN 545 Ca 0.00 0.76 0.25 0.00 0.42 0.00 0.00 52.86 54.29 2khh s ASN 545 Cb 0.00 -2.26 0.86 0.00 -1.45 0.00 0.00 41.25 38.41 2khh s ASN 545 CO 0.00 0.07 1.24 -2.65 -3.72 0.00 0.00 177.10 172.03 2khh n PRO 546 N 3.40 0.01 0.01 0.43 -0.02 -1.26 0.84 135.00 138.42 2khh n PRO 546 Ca -0.09 0.98 -0.10 0.00 -2.02 0.00 0.00 63.50 62.26 2khh n PRO 546 Cb 0.52 -2.43 -0.08 0.00 -0.02 0.00 0.00 33.50 31.49 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 0.97 -0.52 -1.45 2.07 -1.99 -1.15 116.25 114.19 2khh h VAL 547 Ca 0.47 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 2khh h VAL 547 Cb 2.81 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 34.26 2khh h VAL 547 CO -0.00 0.28 0.25 1.56 0.02 0.00 0.00 177.57 179.68 2khh h GLN 548 N -0.89 0.73 0.38 1.57 4.20 0.06 -0.85 115.11 120.30 2khh h GLN 548 Ca -0.01 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 2khh h GLN 548 Cb 0.56 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2khh h GLN 548 CO 0.02 0.56 -0.18 1.25 -0.67 0.00 0.00 178.83 179.82 2khh h LEU 549 N 0.73 -0.43 -1.10 1.46 7.12 -0.75 -0.22 115.31 122.11 2khh h LEU 549 Ca 0.18 -0.03 0.18 0.00 0.13 0.00 0.00 57.88 58.34 2khh h LEU 549 Cb 0.08 0.11 -0.10 0.00 -0.53 0.00 0.00 40.66 40.22 2khh h LEU 549 CO -0.02 -0.24 0.61 -0.33 -0.13 0.00 0.00 178.44 178.32 2khh h GLU 550 N -0.59 0.72 -0.05 1.25 5.08 -0.73 0.23 114.58 120.50 2khh h GLU 550 Ca -0.05 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2khh h GLU 550 Cb 0.44 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2khh h GLU 550 CO 0.09 0.48 -0.01 1.25 -1.00 0.00 0.00 179.01 179.82 2khh h LEU 551 N 0.75 -0.04 -0.85 1.33 5.85 -0.47 0.03 115.31 121.91 2khh h LEU 551 Ca 0.54 0.01 0.17 0.00 0.84 0.00 0.00 57.88 59.45 2khh h LEU 551 Cb 0.87 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.82 2khh h LEU 551 CO -0.32 -0.01 0.39 -0.07 -0.34 0.00 0.00 178.44 178.09 2khh h LEU 552 N 0.00 0.41 0.20 2.25 3.38 0.12 1.02 115.31 122.69 2khh h LEU 552 Ca 0.02 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2khh h LEU 552 Cb 0.03 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2khh h LEU 552 CO -0.04 0.12 -0.10 0.78 0.09 0.00 0.00 178.44 179.29 2khh h ASN 553 N 0.51 -0.23 -0.78 -0.43 4.21 -0.21 2.27 115.58 120.92 2khh h ASN 553 Ca 0.49 -0.07 0.04 0.00 1.21 0.00 0.00 56.30 57.97 2khh h ASN 553 Cb 0.79 0.06 -0.04 0.00 -1.12 0.00 0.00 38.32 38.00 2khh h ASN 553 CO -0.43 -0.08 0.51 0.50 -1.29 0.00 0.00 177.43 176.64 2khh h LYS 554 N -0.36 0.90 -0.27 0.81 1.63 0.44 0.85 116.57 120.56 2khh h LYS 554 Ca -0.03 -0.05 -0.13 0.00 -0.85 0.00 0.00 60.65 59.59 2khh h LYS 554 Cb 0.28 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.70 2khh h LYS 554 CO 0.04 0.60 -0.34 1.25 -3.45 0.00 0.00 179.45 177.55 2khh h LEU 555 N 0.93 0.77 0.00 5.20 5.85 0.17 0.52 115.31 128.75 2khh h LEU 555 Ca 0.31 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2khh h LEU 555 Cb 0.09 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.90 2khh h LEU 555 CO -0.10 1.11 0.00 1.57 -0.34 0.00 0.00 178.44 180.68 2khh n HIS 556 N -4.23 0.00 0.42 1.25 -0.00 0.76 -0.52 115.22 112.90 2khh n HIS 556 Ca -0.04 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.19 2khh n HIS 556 Cb 0.50 -0.28 -0.07 0.00 -0.12 0.00 0.00 29.99 30.03 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 -1.28 0.42 -0.09 0.27 7.99 0.28 -3.31 117.00 121.29 2khh n LEU 557 Ca 0.11 -0.40 -0.17 0.00 -0.01 0.00 0.00 56.01 55.54 2khh n LEU 557 Cb 0.19 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.42 2khh n LEU 557 CO 0.18 0.11 -1.12 1.21 -1.51 0.00 0.00 177.39 176.25 2khh n GLU 558 N -1.39 0.41 -0.01 3.23 0.00 0.18 -4.64 120.64 118.41 2khh n GLU 558 Ca 0.01 0.15 0.11 0.00 0.00 0.00 0.00 57.16 57.43 2khh n GLU 558 Cb 0.20 -1.23 -0.16 0.00 0.00 0.00 0.00 31.44 30.25 2khh n GLU 558 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2khh n THR 559 N -3.56 0.00 -2.03 6.31 5.66 0.32 -4.94 114.28 116.03 2khh n THR 559 Ca -0.35 -0.44 0.00 0.00 -3.05 0.00 0.00 64.05 60.21 2khh n THR 559 Cb 0.79 0.12 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 -2.40 -1.24 1.09 5.02 -0.83 -4.67 118.16 112.96 2khh n LYS 560 Ca -0.03 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.04 2khh n LYS 560 Cb 0.53 -4.20 -0.11 0.00 -0.02 0.00 0.00 35.03 31.24 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 -2.02 6.23 -1.66 -0.35 -0.00 -1.26 -3.64 117.00 114.30 2khh n LEU 561 Ca 0.00 -3.69 0.00 0.00 -0.00 0.00 0.00 56.01 52.32 2khh n LEU 561 Cb 0.35 -1.38 0.00 0.00 -0.00 0.00 0.00 43.42 42.39 2khh n LEU 561 CO 0.00 1.78 -0.39 -3.20 -0.00 0.00 0.00 177.39 175.58 2khh n ASN 562 N 2.15 -7.87 0.00 1.45 5.15 0.36 -3.28 115.26 113.21 2khh n ASN 562 Ca 0.51 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 55.60 2khh n ASN 562 Cb 0.68 -4.14 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 0.98 -0.01 -0.12 5.20 0.00 -1.26 0.30 120.51 125.59 2khh n ALA 563 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2khh n ALA 563 Cb 0.00 0.23 -0.00 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.18 -0.10 -0.02 0.00 2.13 -1.26 0.34 120.64 120.55 2khh n GLU 564 Ca 0.00 0.48 -0.13 0.00 0.66 0.00 0.00 57.16 58.17 2khh n GLU 564 Cb 0.00 -0.71 -0.09 0.00 0.27 0.00 0.00 31.44 30.92 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 0.10 -0.97 4.31 -1.99 -1.55 -1.52 116.97 115.36 2khh h TYR 565 Ca 0.09 -0.02 0.28 0.00 2.00 0.00 0.00 58.73 61.07 2khh h TYR 565 Cb 0.17 -0.02 -0.14 0.00 2.00 0.00 0.00 36.73 38.73 2khh h TYR 565 CO -0.29 0.46 0.49 0.00 -0.00 0.00 0.00 178.16 178.82 2khh h THR 566 N -0.29 0.36 -0.27 -2.88 1.03 2.38 1.93 112.91 115.18 2khh h THR 566 Ca 0.01 -0.12 -0.01 0.00 -0.01 0.00 0.00 66.41 66.27 2khh h THR 566 Cb 0.43 -0.02 -0.01 0.00 -1.07 0.00 0.00 68.15 67.48 2khh h THR 566 CO 0.01 0.06 0.11 0.15 -0.01 0.00 0.00 175.52 175.84 2khh h PHE 567 N 0.36 0.40 -1.34 0.00 3.04 0.85 0.26 116.94 120.51 2khh h PHE 567 Ca 0.66 -0.03 0.39 0.00 3.98 0.00 0.00 57.97 62.97 2khh h PHE 567 Cb 1.41 -0.12 -0.08 0.00 2.56 0.00 0.00 35.95 39.72 2khh h PHE 567 CO -0.08 0.41 0.93 1.98 -2.02 0.00 0.00 178.31 179.53 2khh h MET 568 N 0.28 0.09 0.08 1.11 4.05 0.40 1.89 114.93 122.83 2khh h MET 568 Ca 0.09 -0.01 -0.27 0.00 -0.28 0.00 0.00 59.70 59.24 2khh h MET 568 Cb 0.17 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 2khh h MET 568 CO -0.01 0.06 -1.31 1.25 0.23 0.00 0.00 176.91 177.13 2khh h LEU 569 N 0.09 0.25 -2.05 3.39 6.46 0.14 0.16 115.31 123.75 2khh h LEU 569 Ca 0.69 -0.31 0.00 0.00 -0.12 0.00 0.00 57.88 58.15 2khh h LEU 569 Cb 2.47 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 42.32 2khh h LEU 569 CO -0.15 1.25 0.00 0.00 -0.62 0.00 0.00 178.44 178.92 2khh h ALA 570 N 0.72 1.00 0.00 1.25 0.00 0.61 0.46 119.26 123.30 2khh h ALA 570 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.42 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 0.16 0.00 -2.29 -0.85 0.00 0.00 0.00 179.25 176.27 2khh n GLU 571 N -3.00 0.56 0.00 0.00 0.28 0.34 -0.81 120.64 118.02 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 0.19 -1.45 0.44 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 -3.19 0.12 -0.49 3.44 6.02 0.55 -2.06 117.38 121.77 2khh n GLN 572 Ca -0.40 0.14 0.08 0.00 -0.01 0.00 0.00 57.00 56.81 2khh n GLN 572 Cb 0.92 -1.50 0.27 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 -1.41 3.94 -1.24 1.08 3.41 0.16 -4.94 113.62 114.62 2khh n SER 573 Ca 0.07 -3.05 -0.13 0.00 -0.26 0.00 0.00 58.87 55.49 2khh n SER 573 Cb 0.19 -0.56 -0.06 0.00 -0.26 0.00 0.00 64.21 63.53 2khh n SER 573 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2khh n ASN 574 N -0.48 -4.21 -3.69 4.04 0.23 -0.87 -1.79 115.26 108.49 2khh n ASN 574 Ca 0.22 0.33 -0.25 0.00 -0.53 0.00 0.00 54.58 54.35 2khh n ASN 574 Cb 0.92 -3.64 0.06 0.00 -2.08 0.00 0.00 39.78 35.05 2khh n ASN 574 CO 0.00 0.00 0.00 0.79 -0.93 0.00 0.00 177.26 177.12 2khh n TRP 575 N -1.96 -2.61 0.00 -2.53 7.02 0.01 -4.94 117.44 112.43 2khh n TRP 575 Ca -0.13 0.97 0.00 0.00 -1.02 0.00 0.00 57.50 57.32 2khh n TRP 575 Cb 0.50 -4.69 0.00 0.00 -2.42 0.00 0.00 31.31 24.70 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 -2.97 0.00 0.00 -0.99 2.85 -0.74 -5.06 115.26 108.35 2khh n ASN 576 Ca -0.02 0.33 0.00 0.00 -0.11 0.00 0.00 54.58 54.78 2khh n ASN 576 Cb 0.56 -0.40 0.00 0.00 1.24 0.00 0.00 39.78 41.19 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 -1.79 0.00 -0.35 1.20 9.36 -1.26 -4.87 117.16 119.45 2khh n TYR 577 Ca 0.00 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.32 2khh n TYR 577 Cb 0.00 0.00 0.20 0.00 -0.63 0.00 0.00 39.34 38.91 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 0.00 -0.30 2.98 4.22 -1.97 1.97 114.58 121.49 2khh h GLU 578 Ca 0.00 -0.00 -0.17 0.00 0.08 0.00 0.00 59.36 59.27 2khh h GLU 578 Cb 0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2khh h GLU 578 CO 0.00 0.00 -0.46 -0.24 -2.18 0.00 0.00 179.01 176.13 2khh h VAL 579 N 0.00 1.28 -0.06 0.32 3.04 -1.90 -1.53 116.25 117.40 2khh h VAL 579 Ca 0.53 -1.64 0.01 0.00 -1.01 0.00 0.00 66.70 64.58 2khh h VAL 579 Cb 0.94 1.60 -0.02 0.00 -2.01 0.00 0.00 31.29 31.80 2khh h VAL 579 CO -0.97 0.54 -0.15 0.00 -1.01 0.00 0.00 177.57 175.97 2khh h ALA 580 N 0.69 -0.51 -0.93 3.17 0.00 0.26 5.51 119.26 127.46 2khh h ALA 580 Ca 0.03 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.04 2khh h ALA 580 Cb 1.06 0.74 -0.13 0.00 0.00 0.00 0.00 17.79 19.46 2khh h ALA 580 CO 0.11 -0.57 -0.51 0.82 0.00 0.00 0.00 179.25 179.09 2khh h ILE 581 N -0.14 0.01 -0.68 0.00 1.08 -0.20 2.23 117.51 119.81 2khh h ILE 581 Ca 0.01 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.63 2khh h ILE 581 Cb 0.18 0.01 -0.11 0.00 -3.07 0.00 0.00 36.82 33.83 2khh h ILE 581 CO -0.13 0.00 0.11 0.50 -0.69 0.00 0.00 178.15 177.93 2khh h LYS 582 N -0.04 0.20 -0.37 2.37 1.63 0.09 -0.87 116.57 119.58 2khh h LYS 582 Ca 0.22 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 60.05 2khh h LYS 582 Cb 0.50 -0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 32.02 2khh h LYS 582 CO -0.91 0.13 -0.41 0.78 -3.45 0.00 0.00 179.45 175.59 2khh h GLY 583 N 0.21 -1.28 -0.19 5.01 0.00 2.68 2.60 103.07 112.10 2khh h GLY 583 Ca 0.37 0.78 0.02 0.00 0.00 0.00 0.00 47.33 48.50 2khh h GLY 583 CO -0.51 -0.28 -0.25 -2.75 0.00 0.00 0.00 176.54 172.75 2khh h PHE 584 N -0.25 -0.76 0.00 5.60 3.57 0.33 1.44 116.94 126.87 2khh h PHE 584 Ca 0.06 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2khh h PHE 584 Cb 0.41 0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.51 2khh h PHE 584 CO -0.74 -0.21 0.00 0.00 -2.23 0.00 0.00 178.31 175.12 2khh n GLN 585 N -3.89 0.63 0.00 1.11 10.64 -0.60 -3.59 117.38 121.67 2khh n GLN 585 Ca -0.01 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.16 2khh n GLN 585 Cb 0.15 -1.29 0.00 0.00 -0.86 0.00 0.00 30.24 28.24 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 0.14 0.00 0.02 2.61 2.88 0.87 -4.78 113.62 115.35 2khh n SER 586 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 2khh n SER 586 Cb 0.15 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.55 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 -0.99 -6.21 -3.46 0.02 -1.61 -3.45 113.55 97.85 2khh h SER 587 Ca 0.00 0.11 -0.25 0.00 -0.84 0.00 0.00 61.79 60.81 2khh h SER 587 Cb 0.00 0.38 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 2khh h SER 587 CO 0.00 -0.30 -0.51 0.80 -1.14 0.00 0.00 176.83 175.68 2khh n MET 588 N -4.24 -0.71 0.00 3.45 0.00 -1.24 -4.63 117.12 109.76 2khh n MET 588 Ca -0.04 0.19 0.00 0.00 0.00 0.00 0.00 57.70 57.84 2khh n MET 588 Cb 0.23 -0.93 0.00 0.00 0.00 0.00 0.00 33.22 32.52 2khh n MET 588 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 2khh n ASN 589 N -0.85 0.00 0.00 6.12 6.94 -1.26 -4.96 115.26 121.25 2khh n ASN 589 Ca -0.13 -0.37 0.00 0.00 -0.02 0.00 0.00 54.58 54.07 2khh n ASN 589 Cb 0.31 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.73 2khh n ASN 589 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2khh n GLY 590 N 0.00 0.00 3.68 4.83 0.00 -1.26 -5.08 105.19 107.35 2khh n GLY 590 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.14 0.23 -1.35 -0.61 -5.35 -1.26 -4.96 119.36 105.92 2khh n ILE 591 Ca 0.00 -0.04 -0.20 0.00 -0.27 0.00 0.00 62.75 62.24 2khh n ILE 591 Cb 0.00 -1.71 0.15 0.00 -1.74 0.00 0.00 39.64 36.34 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 4.71 -1.44 0.12 6.28 -0.04 -1.26 -4.82 135.00 138.55 2khh n PRO 592 Ca 0.19 -1.31 0.13 0.00 -0.04 0.00 0.00 63.50 62.47 2khh n PRO 592 Cb 0.30 -0.98 0.38 0.00 -0.04 0.00 0.00 33.50 33.16 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 0.14 0.54 3.08 -1.93 -1.27 114.38 114.93 2khh h ARG 593 Ca -0.28 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.48 2khh h ARG 593 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.87 2khh h ARG 593 CO 0.20 0.00 -1.34 0.93 -1.07 0.00 0.00 179.97 178.69 2khh h GLU 594 N 0.00 0.29 0.18 0.04 5.08 -1.99 -3.34 114.58 114.85 2khh h GLU 594 Ca 0.00 -0.50 -0.26 0.00 -1.00 0.00 0.00 59.36 57.60 2khh h GLU 594 Cb 0.76 0.19 0.02 0.00 0.50 0.00 0.00 28.75 30.21 2khh h GLU 594 CO 0.00 1.21 -1.18 0.00 -1.00 0.00 0.00 179.01 178.04 2khh h ALA 595 N 0.52 -0.06 -1.81 3.43 0.00 -1.80 -3.41 119.26 116.12 2khh h ALA 595 Ca -0.17 -0.84 -0.67 0.00 0.00 0.00 0.00 54.91 53.23 2khh h ALA 595 Cb 2.00 0.21 -0.17 0.00 0.00 0.00 0.00 17.79 19.83 2khh h ALA 595 CO 0.20 0.59 0.49 0.12 0.00 0.00 0.00 179.25 180.64 2khh s PHE 596 N -2.50 2.89 -0.96 0.00 5.36 -0.49 -0.49 117.98 121.79 2khh s PHE 596 Ca -0.13 -0.89 -0.13 0.00 -0.96 0.00 0.00 56.93 54.82 2khh s PHE 596 Cb 0.03 -4.21 0.22 0.00 -0.34 0.00 0.00 43.02 38.72 2khh s PHE 596 CO 0.86 -1.51 0.98 0.14 -1.46 0.00 0.00 175.22 174.23 2khh s VAL 597 N 3.29 5.57 -0.20 3.12 -7.23 -1.24 -4.50 120.40 119.20 2khh s VAL 597 Ca 0.22 -2.66 0.00 0.00 -1.81 0.00 0.00 61.98 57.73 2khh s VAL 597 Cb -0.16 -4.59 0.00 0.00 0.56 0.00 0.00 36.38 32.19 2khh s VAL 597 CO 0.04 -1.19 0.00 0.00 -0.31 0.00 0.00 175.10 173.64 2khh n GLN 598 N 4.08 -1.33 0.00 4.82 6.02 -1.26 -4.88 117.38 124.82 2khh n GLN 598 Ca 0.20 0.43 0.00 0.00 -0.01 0.00 0.00 57.00 57.63 2khh n GLN 598 Cb 0.45 -4.48 0.00 0.00 1.02 0.00 0.00 30.24 27.22 2khh n GLN 598 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24