#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 -4.75 2.89 7.94 -1.26 -4.84 117.00 115.87 2khh n LEU 544 Ca 0.00 2.32 -0.37 0.00 -1.11 0.00 0.00 56.01 56.85 2khh n LEU 544 Cb 0.00 -2.75 -0.06 0.00 0.53 0.00 0.00 43.42 41.14 2khh n LEU 544 CO 0.00 -1.57 0.11 0.21 -1.11 0.00 0.00 177.39 175.03 2khh s ASN 545 N -6.41 6.64 0.58 1.96 2.47 -1.26 -4.91 114.94 114.01 2khh s ASN 545 Ca 0.00 0.76 0.32 0.00 0.42 0.00 0.00 52.86 54.36 2khh s ASN 545 Cb 0.00 -2.25 1.09 0.00 -1.45 0.00 0.00 41.25 38.64 2khh s ASN 545 CO 0.00 0.10 1.33 -2.65 -3.72 0.00 0.00 177.10 172.15 2khh n PRO 546 N 3.26 0.01 0.02 0.43 -0.02 -1.26 0.64 135.00 138.07 2khh n PRO 546 Ca -0.10 1.01 -0.11 0.00 -2.02 0.00 0.00 63.50 62.28 2khh n PRO 546 Cb 0.52 -2.46 -0.08 0.00 -0.02 0.00 0.00 33.50 31.46 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 1.01 -0.48 -1.45 2.07 -1.99 -1.15 116.25 114.27 2khh h VAL 547 Ca 0.59 -1.35 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 2khh h VAL 547 Cb 3.08 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 34.57 2khh h VAL 547 CO -0.01 0.28 0.18 1.56 0.02 0.00 0.00 177.57 179.60 2khh h GLN 548 N -0.86 0.69 0.30 1.57 4.20 -0.19 -0.99 115.11 119.83 2khh h GLN 548 Ca -0.01 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 2khh h GLN 548 Cb 0.57 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2khh h GLN 548 CO 0.02 0.58 -0.14 1.25 -0.67 0.00 0.00 178.83 179.87 2khh h LEU 549 N 0.68 -0.34 -0.90 1.46 7.12 -0.68 -0.09 115.31 122.56 2khh h LEU 549 Ca 0.16 -0.03 0.17 0.00 0.13 0.00 0.00 57.88 58.31 2khh h LEU 549 Cb 0.16 0.09 -0.10 0.00 -0.53 0.00 0.00 40.66 40.28 2khh h LEU 549 CO -0.01 -0.19 0.48 -0.33 -0.13 0.00 0.00 178.44 178.26 2khh h GLU 550 N -0.46 0.62 -0.09 1.25 4.39 -0.73 0.17 114.58 119.74 2khh h GLU 550 Ca -0.04 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.65 2khh h GLU 550 Cb 0.35 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 2khh h GLU 550 CO 0.07 0.41 -0.09 1.25 -1.16 0.00 0.00 179.01 179.49 2khh h LEU 551 N 0.64 -0.28 -0.85 1.33 5.85 -0.45 -0.40 115.31 121.15 2khh h LEU 551 Ca 0.50 0.06 0.19 0.00 0.84 0.00 0.00 57.88 59.47 2khh h LEU 551 Cb 0.76 0.14 -0.11 0.00 0.37 0.00 0.00 40.66 41.81 2khh h LEU 551 CO -0.38 -0.13 0.36 -0.07 -0.34 0.00 0.00 178.44 177.88 2khh h LEU 552 N -0.12 0.32 0.51 2.25 3.38 0.12 0.80 115.31 122.57 2khh h LEU 552 Ca 0.07 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 2khh h LEU 552 Cb 0.21 0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.08 2khh h LEU 552 CO -0.16 0.05 -0.25 0.78 0.09 0.00 0.00 178.44 178.95 2khh h ASN 553 N 0.43 -0.58 -0.72 -0.43 4.21 -0.07 2.16 115.58 120.57 2khh h ASN 553 Ca 0.50 0.01 0.09 0.00 1.21 0.00 0.00 56.30 58.12 2khh h ASN 553 Cb 0.88 0.15 -0.05 0.00 -1.12 0.00 0.00 38.32 38.19 2khh h ASN 553 CO -0.48 -0.40 0.47 0.50 -1.29 0.00 0.00 177.43 176.23 2khh h LYS 554 N -0.71 0.61 -0.12 0.81 1.63 0.27 0.74 116.57 119.80 2khh h LYS 554 Ca -0.07 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.62 2khh h LYS 554 Cb 0.54 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.03 2khh h LYS 554 CO 0.12 0.40 -0.21 1.25 -3.45 0.00 0.00 179.45 177.57 2khh h LEU 555 N 0.63 0.39 0.00 5.20 5.85 0.14 0.40 115.31 127.92 2khh h LEU 555 Ca 0.33 -0.54 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2khh h LEU 555 Cb 0.45 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2khh h LEU 555 CO -0.11 0.86 0.00 1.57 -0.34 0.00 0.00 178.44 180.41 2khh n HIS 556 N -4.51 0.00 0.29 1.25 -0.00 0.72 -0.28 115.22 112.70 2khh n HIS 556 Ca -0.07 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.17 2khh n HIS 556 Cb 0.41 -0.23 -0.08 0.00 -0.12 0.00 0.00 29.99 29.97 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 -1.23 0.29 -0.11 0.27 7.99 0.24 -3.28 117.00 121.18 2khh n LEU 557 Ca 0.11 -0.25 -0.21 0.00 -0.01 0.00 0.00 56.01 55.65 2khh n LEU 557 Cb 0.14 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.37 2khh n LEU 557 CO 0.14 0.07 -1.22 -0.62 -1.51 0.00 0.00 177.39 174.26 2khh n GLU 558 N -1.61 0.47 -0.01 3.23 -0.58 0.14 -4.63 120.64 117.64 2khh n GLU 558 Ca 0.00 0.18 0.07 0.00 -0.42 0.00 0.00 57.16 56.99 2khh n GLU 558 Cb 0.26 -1.31 -0.15 0.00 -0.57 0.00 0.00 31.44 29.67 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 -3.71 0.35 -2.10 2.62 5.66 0.62 -4.94 114.28 112.77 2khh n THR 559 Ca -0.41 -0.58 -0.02 0.00 -3.05 0.00 0.00 64.05 60.00 2khh n THR 559 Cb 0.82 -0.14 -0.00 0.00 -1.55 0.00 0.00 70.33 69.46 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 -2.38 -1.33 1.09 5.02 -0.77 -4.68 118.16 112.71 2khh n LYS 560 Ca -0.09 0.09 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 2khh n LYS 560 Cb 0.68 -4.47 -0.09 0.00 -0.02 0.00 0.00 35.03 31.13 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 -2.15 6.70 -1.67 -0.35 -0.00 -1.25 -3.63 117.00 114.65 2khh n LEU 561 Ca -0.02 -3.90 0.00 0.00 -0.00 0.00 0.00 56.01 52.09 2khh n LEU 561 Cb 0.39 -1.40 0.00 0.00 -0.00 0.00 0.00 43.42 42.41 2khh n LEU 561 CO 0.03 1.84 -0.38 -3.20 -0.00 0.00 0.00 177.39 175.67 2khh n ASN 562 N 2.22 -7.74 0.00 1.45 5.15 0.33 -3.29 115.26 113.38 2khh n ASN 562 Ca 0.55 1.10 0.00 0.00 -0.60 0.00 0.00 54.58 55.63 2khh n ASN 562 Cb 0.59 -4.14 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 1.13 -0.01 -0.12 5.20 0.00 -1.26 0.28 120.51 125.72 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 -1.11 -0.10 0.01 0.00 2.13 -1.26 0.34 120.64 120.65 2khh n GLU 564 Ca 0.00 0.46 -0.13 0.00 0.66 0.00 0.00 57.16 58.15 2khh n GLU 564 Cb 0.00 -0.68 -0.09 0.00 0.27 0.00 0.00 31.44 30.94 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 -0.02 -0.96 4.31 -1.99 -1.55 -1.58 116.97 115.18 2khh h TYR 565 Ca 0.08 -0.00 0.29 0.00 2.00 0.00 0.00 58.73 61.10 2khh h TYR 565 Cb 0.16 0.01 -0.15 0.00 2.00 0.00 0.00 36.73 38.75 2khh h TYR 565 CO -0.28 0.31 0.46 0.00 -0.00 0.00 0.00 178.16 178.64 2khh h THR 566 N -0.35 0.32 -0.27 -2.88 1.03 2.23 1.86 112.91 114.85 2khh h THR 566 Ca -0.00 -0.10 -0.01 0.00 -0.01 0.00 0.00 66.41 66.28 2khh h THR 566 Cb 0.33 -0.01 -0.01 0.00 -1.07 0.00 0.00 68.15 67.39 2khh h THR 566 CO 0.00 0.06 0.11 0.15 -0.01 0.00 0.00 175.52 175.83 2khh h PHE 567 N 0.30 0.41 -1.22 0.00 3.04 0.64 0.28 116.94 120.39 2khh h PHE 567 Ca 0.67 -0.03 0.35 0.00 3.98 0.00 0.00 57.97 62.94 2khh h PHE 567 Cb 1.45 -0.12 -0.06 0.00 2.56 0.00 0.00 35.95 39.78 2khh h PHE 567 CO -0.10 0.41 0.87 1.98 -2.02 0.00 0.00 178.31 179.45 2khh h MET 568 N 0.29 0.04 0.06 1.11 4.05 0.38 1.67 114.93 122.53 2khh h MET 568 Ca 0.09 -0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.25 2khh h MET 568 Cb 0.17 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 2khh h MET 568 CO -0.01 0.03 -1.28 1.25 0.23 0.00 0.00 176.91 177.12 2khh h LEU 569 N 0.04 0.20 -2.09 3.39 6.46 0.15 0.16 115.31 123.61 2khh h LEU 569 Ca 0.60 -0.24 -0.00 0.00 -0.12 0.00 0.00 57.88 58.11 2khh h LEU 569 Cb 2.29 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 42.16 2khh h LEU 569 CO -0.04 1.20 -0.00 0.00 -0.62 0.00 0.00 178.44 178.97 2khh h ALA 570 N 0.78 1.01 0.00 1.25 0.00 0.57 0.44 119.26 123.30 2khh h ALA 570 Ca -0.13 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.42 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 0.01 -2.34 -0.85 0.00 0.00 0.00 179.25 176.22 2khh n GLU 571 N -3.10 0.60 0.00 0.00 0.28 0.19 -0.82 120.64 117.79 2khh n GLU 571 Ca -0.01 0.13 0.10 0.00 -0.16 0.00 0.00 57.16 57.23 2khh n GLU 571 Cb 0.21 -1.47 0.49 0.00 1.43 0.00 0.00 31.44 32.10 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 -3.18 0.14 -0.35 3.44 6.02 0.55 -2.33 117.38 121.68 2khh n GLN 572 Ca -0.41 0.12 0.08 0.00 -0.01 0.00 0.00 57.00 56.77 2khh n GLN 572 Cb 0.95 -1.50 0.24 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 -1.40 3.67 -0.35 1.08 3.41 0.15 -4.94 113.62 115.24 2khh n SER 573 Ca 0.07 -2.28 -0.05 0.00 -0.26 0.00 0.00 58.87 56.36 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 0.65 -4.58 -2.64 4.04 3.02 -0.98 -2.78 115.26 111.99 2khh n ASN 574 Ca 0.18 0.11 -0.21 0.00 -0.03 0.00 0.00 54.58 54.63 2khh n ASN 574 Cb 0.64 -2.48 0.01 0.00 -0.61 0.00 0.00 39.78 37.34 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 -1.38 0.00 3.10 7.02 -0.00 -4.93 117.44 118.72 2khh n TRP 575 Ca -0.05 0.20 0.00 0.00 -1.02 0.00 0.00 57.50 56.63 2khh n TRP 575 Cb 0.32 -4.15 0.00 0.00 -2.42 0.00 0.00 31.31 25.06 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 -2.20 0.00 0.00 -0.99 5.15 -1.12 -5.06 115.26 111.04 2khh n ASN 576 Ca -0.20 0.10 0.00 0.00 -0.60 0.00 0.00 54.58 53.88 2khh n ASN 576 Cb 0.66 -0.08 0.00 0.00 -0.53 0.00 0.00 39.78 39.83 2khh n ASN 576 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2khh n TYR 577 N -0.74 0.00 -0.33 1.20 9.36 -1.26 -4.90 117.16 120.49 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 0.14 0.00 -0.63 0.00 0.00 39.34 38.85 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 -0.41 2.98 4.81 -1.97 2.11 114.58 122.11 2khh h GLU 578 Ca 0.00 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 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 0.00 -0.24 -0.24 -0.73 0.00 0.00 179.01 177.80 2khh h VAL 579 N 0.00 1.27 0.03 0.32 3.04 -1.90 -1.64 116.25 117.38 2khh h VAL 579 Ca 0.46 -1.37 0.00 0.00 -1.01 0.00 0.00 66.70 64.78 2khh h VAL 579 Cb 0.71 1.21 -0.01 0.00 -2.01 0.00 0.00 31.29 31.19 2khh h VAL 579 CO -0.95 0.46 -0.12 0.00 -1.01 0.00 0.00 177.57 175.95 2khh h ALA 580 N 1.00 -0.66 -0.94 3.17 0.00 0.29 4.53 119.26 126.66 2khh h ALA 580 Ca 0.09 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.07 2khh h ALA 580 Cb 0.77 0.53 -0.12 0.00 0.00 0.00 0.00 17.79 18.98 2khh h ALA 580 CO 0.06 -0.69 -0.53 -0.89 0.00 0.00 0.00 179.25 177.21 2khh n ILE 581 N -3.10 -0.62 -0.17 0.00 2.08 0.14 0.27 119.36 117.97 2khh n ILE 581 Ca -0.02 2.27 -0.01 0.00 0.56 0.00 0.00 62.75 65.55 2khh n ILE 581 Cb 0.09 -2.83 0.07 0.00 -0.75 0.00 0.00 39.64 36.22 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 -0.74 0.38 1.57 -0.42 -1.07 116.57 116.38 2khh h LYS 582 Ca 0.18 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.02 2khh h LYS 582 Cb 0.41 -0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.61 2khh h LYS 582 CO -0.89 0.06 -0.48 0.78 -0.57 0.00 0.00 179.45 178.35 2khh h GLY 583 N 0.10 -1.18 -0.14 3.86 0.00 2.55 2.78 103.07 111.04 2khh h GLY 583 Ca 0.27 0.85 0.02 0.00 0.00 0.00 0.00 47.33 48.47 2khh h GLY 583 CO -0.47 -0.16 -0.26 -2.75 0.00 0.00 0.00 176.54 172.90 2khh h PHE 584 N -0.05 -0.78 0.00 5.60 3.57 0.36 0.95 116.94 126.58 2khh h PHE 584 Ca 0.12 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2khh h PHE 584 Cb 0.36 0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.46 2khh h PHE 584 CO -0.96 -0.24 0.00 0.00 -2.23 0.00 0.00 178.31 174.88 2khh n GLN 585 N -3.93 0.75 0.00 1.11 10.64 -0.02 -3.01 117.38 122.92 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 0.17 -1.27 0.00 0.00 -0.86 0.00 0.00 30.24 28.28 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 0.34 0.00 0.12 2.61 2.88 0.91 -4.61 113.62 115.87 2khh n SER 586 Ca 0.00 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 2khh n SER 586 Cb 0.27 -0.25 0.47 0.00 -0.75 0.00 0.00 64.21 63.95 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 -2.06 0.52 -1.23 -3.46 7.64 -0.96 -4.79 113.62 109.28 2khh n SER 587 Ca 0.00 0.67 -0.06 0.00 1.01 0.00 0.00 58.87 60.49 2khh n SER 587 Cb 0.00 -0.76 -0.06 0.00 -1.01 0.00 0.00 64.21 62.38 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 -2.12 0.00 0.00 1.43 0.00 -1.16 -3.06 117.12 112.20 2khh n MET 588 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.71 2khh n MET 588 Cb 0.15 -0.28 0.00 0.00 0.00 0.00 0.00 33.22 33.09 2khh n MET 588 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2khh n ASN 589 N 1.50 0.00 0.00 6.12 4.13 -1.26 -4.97 115.26 120.78 2khh n ASN 589 Ca 0.17 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.43 2khh n ASN 589 Cb 0.05 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.29 2khh n ASN 589 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2khh n GLY 590 N 0.00 0.00 3.63 7.41 0.00 -1.17 -5.07 105.19 109.99 2khh n GLY 590 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.94 0.07 -1.38 -0.61 -5.35 -1.26 -4.94 119.36 104.95 2khh n ILE 591 Ca 0.00 -0.01 -0.22 0.00 -0.27 0.00 0.00 62.75 62.25 2khh n ILE 591 Cb 0.13 -1.07 0.17 0.00 -1.74 0.00 0.00 39.64 37.12 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 3.28 -1.63 0.07 6.28 -0.04 -1.26 -4.81 135.00 136.89 2khh n PRO 592 Ca 0.19 -1.45 0.13 0.00 -0.04 0.00 0.00 63.50 62.34 2khh n PRO 592 Cb 0.21 -1.11 0.47 0.00 -0.04 0.00 0.00 33.50 33.03 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 -3.47 0.18 0.11 0.54 1.74 -1.26 -1.34 116.66 113.16 2khh n ARG 593 Ca 0.12 0.15 -0.22 0.00 -0.77 0.00 0.00 57.85 57.13 2khh n ARG 593 Cb 0.44 -1.71 -0.15 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 0.41 0.19 5.56 5.08 -1.99 -3.35 114.58 120.49 2khh h GLU 594 Ca 0.00 -0.70 -0.27 0.00 -1.00 0.00 0.00 59.36 57.39 2khh h GLU 594 Cb 0.67 0.26 0.03 0.00 0.50 0.00 0.00 28.75 30.21 2khh h GLU 594 CO 0.00 1.32 -1.17 0.00 -1.00 0.00 0.00 179.01 178.16 2khh h ALA 595 N 0.27 -0.12 -1.82 3.43 0.00 -1.81 -3.41 119.26 115.80 2khh h ALA 595 Ca -0.26 -0.78 -0.67 0.00 0.00 0.00 0.00 54.91 53.20 2khh h ALA 595 Cb 2.10 0.14 -0.17 0.00 0.00 0.00 0.00 17.79 19.85 2khh h ALA 595 CO 0.22 0.55 0.41 0.12 0.00 0.00 0.00 179.25 180.55 2khh s PHE 596 N -2.57 2.89 -0.74 0.00 5.36 -0.45 -0.52 117.98 121.96 2khh s PHE 596 Ca -0.11 -0.87 -0.16 0.00 -0.96 0.00 0.00 56.93 54.83 2khh s PHE 596 Cb 0.03 -4.17 0.17 0.00 -0.34 0.00 0.00 43.02 38.71 2khh s PHE 596 CO 0.90 -1.48 0.73 0.14 -1.46 0.00 0.00 175.22 174.05 2khh s VAL 597 N 3.24 5.34 -0.84 3.12 -7.23 -1.24 -4.49 120.40 118.29 2khh s VAL 597 Ca 0.19 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 2khh s VAL 597 Cb -0.18 -4.47 0.00 0.00 0.56 0.00 0.00 36.38 32.29 2khh s VAL 597 CO 0.05 -1.05 0.00 0.00 -0.31 0.00 0.00 175.10 173.80 2khh n GLN 598 N 4.81 -1.79 0.00 4.82 1.13 -1.26 -4.86 117.38 120.24 2khh n GLN 598 Ca 0.05 0.77 0.00 0.00 -1.94 0.00 0.00 57.00 55.88 2khh n GLN 598 Cb 0.45 -5.19 0.00 0.00 0.11 0.00 0.00 30.24 25.61 2khh n GLN 598 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81