#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 3.97 0.00 0.55 2.96 -1.26 -5.11 118.68 119.78 2khh s LEU 544 Ca 0.00 0.48 0.02 0.00 -0.22 0.00 0.00 54.13 54.42 2khh s LEU 544 Cb 0.00 -3.35 0.12 0.00 0.50 0.00 0.00 46.19 43.45 2khh s LEU 544 CO 0.00 -0.34 0.85 0.59 -1.32 0.00 0.00 176.35 176.13 2khh n ASN 545 N -1.84 1.42 0.08 3.68 3.02 -1.26 -4.94 115.26 115.42 2khh n ASN 545 Ca -0.04 -2.13 -0.01 0.00 -0.03 0.00 0.00 54.58 52.37 2khh n ASN 545 Cb 0.56 -0.52 -0.05 0.00 -0.61 0.00 0.00 39.78 39.16 2khh n ASN 545 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2khh h PRO 546 N 0.00 0.00 -0.03 3.52 0.13 -1.99 -1.87 132.00 131.76 2khh h PRO 546 Ca -0.28 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.83 2khh h PRO 546 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2khh h PRO 546 CO 0.33 0.54 -0.08 0.28 -0.23 0.00 0.00 178.00 178.84 2khh h VAL 547 N 0.00 1.47 -0.11 1.56 2.07 -1.99 -1.10 116.25 118.16 2khh h VAL 547 Ca -0.07 -1.50 -0.01 0.00 0.82 0.00 0.00 66.70 65.94 2khh h VAL 547 Cb 1.56 2.40 -0.00 0.00 -1.52 0.00 0.00 31.29 33.73 2khh h VAL 547 CO 0.07 0.40 0.01 1.56 0.02 0.00 0.00 177.57 179.64 2khh h GLN 548 N -0.48 0.18 -0.48 1.57 4.20 -1.98 -1.14 115.11 116.99 2khh h GLN 548 Ca -0.00 -0.05 0.10 0.00 0.06 0.00 0.00 58.65 58.75 2khh h GLN 548 Cb 0.69 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.36 2khh h GLN 548 CO 0.02 0.40 -0.13 1.25 -0.67 0.00 0.00 178.83 179.69 2khh h LEU 549 N -0.07 -0.48 -0.51 1.46 7.12 -1.39 0.31 115.31 121.75 2khh h LEU 549 Ca 0.03 0.15 0.08 0.00 0.13 0.00 0.00 57.88 58.27 2khh h LEU 549 Cb 0.31 0.31 -0.07 0.00 -0.53 0.00 0.00 40.66 40.69 2khh h LEU 549 CO 0.00 -0.17 0.14 -0.33 -0.13 0.00 0.00 178.44 177.95 2khh h GLU 550 N -0.02 0.28 -0.42 1.25 4.39 -0.98 0.05 114.58 119.13 2khh h GLU 550 Ca 0.23 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.99 2khh h GLU 550 Cb 0.37 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.88 2khh h GLU 550 CO -0.50 0.18 -0.03 1.25 -1.16 0.00 0.00 179.01 178.75 2khh h LEU 551 N 0.29 -0.24 -0.70 1.33 5.85 0.75 0.11 115.31 122.69 2khh h LEU 551 Ca 0.25 0.11 0.14 0.00 0.84 0.00 0.00 57.88 59.22 2khh h LEU 551 Cb 0.32 0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.45 2khh h LEU 551 CO -0.30 -0.08 0.17 -0.07 -0.34 0.00 0.00 178.44 177.82 2khh h LEU 552 N 0.07 0.03 0.10 2.25 3.38 0.12 0.80 115.31 122.07 2khh h LEU 552 Ca 0.21 0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.32 2khh h LEU 552 Cb 0.31 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2khh h LEU 552 CO -0.38 -0.01 -0.18 0.78 0.09 0.00 0.00 178.44 178.75 2khh h ASN 553 N 0.28 -0.50 -0.58 -0.43 -0.26 0.27 2.46 115.58 116.83 2khh h ASN 553 Ca 0.38 0.06 0.03 0.00 -0.56 0.00 0.00 56.30 56.21 2khh h ASN 553 Cb 0.62 0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 38.04 2khh h ASN 553 CO -0.47 -0.26 0.38 0.50 -1.06 0.00 0.00 177.43 176.52 2khh h LYS 554 N -0.35 0.67 -0.27 0.81 1.63 0.22 0.80 116.57 120.09 2khh h LYS 554 Ca 0.02 -0.04 -0.15 0.00 -0.85 0.00 0.00 60.65 59.63 2khh h LYS 554 Cb 0.37 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.85 2khh h LYS 554 CO -0.10 0.45 -0.43 1.25 -3.45 0.00 0.00 179.45 177.17 2khh h LEU 555 N 0.69 0.83 0.00 5.20 5.85 0.21 0.48 115.31 128.59 2khh h LEU 555 Ca 0.23 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2khh h LEU 555 Cb 0.05 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.84 2khh h LEU 555 CO -0.06 1.19 0.00 1.57 -0.34 0.00 0.00 178.44 180.81 2khh n HIS 556 N -4.15 0.00 0.37 1.25 -0.00 0.81 -0.54 115.22 112.95 2khh n HIS 556 Ca -0.05 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.19 2khh n HIS 556 Cb 0.56 -0.27 -0.08 0.00 -0.12 0.00 0.00 29.99 30.08 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 -1.27 0.37 -0.09 0.27 7.99 0.26 -3.24 117.00 121.30 2khh n LEU 557 Ca 0.13 -0.33 -0.16 0.00 -0.01 0.00 0.00 56.01 55.64 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 0.20 0.09 -1.11 1.21 -1.51 0.00 0.00 177.39 176.27 2khh n GLU 558 N -1.50 0.42 -0.01 3.23 4.07 0.17 -4.63 120.64 122.38 2khh n GLU 558 Ca 0.01 0.14 0.10 0.00 -0.06 0.00 0.00 57.16 57.34 2khh n GLU 558 Cb 0.23 -1.26 -0.17 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 -3.41 0.09 -2.74 6.31 5.66 0.29 -4.95 114.28 115.53 2khh n THR 559 Ca -0.34 -0.52 -0.06 0.00 -3.05 0.00 0.00 64.05 60.07 2khh n THR 559 Cb 0.80 -0.03 -0.01 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 -2.60 -1.42 1.09 5.02 -0.87 -4.64 118.16 112.44 2khh n LYS 560 Ca -0.06 0.02 -0.25 0.00 -2.02 0.00 0.00 58.31 56.00 2khh n LYS 560 Cb 0.61 -4.38 -0.08 0.00 -0.02 0.00 0.00 35.03 31.16 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 -2.65 6.44 -1.59 -0.35 -0.00 -1.26 -3.58 117.00 114.02 2khh n LEU 561 Ca 0.02 -3.96 0.00 0.00 -0.00 0.00 0.00 56.01 52.07 2khh n LEU 561 Cb 0.48 -1.31 0.00 0.00 -0.00 0.00 0.00 43.42 42.59 2khh n LEU 561 CO 0.14 1.78 -0.36 -3.20 -0.00 0.00 0.00 177.39 175.75 2khh n ASN 562 N 1.48 -7.40 0.00 1.45 5.15 0.47 -3.37 115.26 113.03 2khh n ASN 562 Ca 0.50 1.03 0.00 0.00 -0.60 0.00 0.00 54.58 55.52 2khh n ASN 562 Cb 0.59 -3.90 0.00 0.00 -0.53 0.00 0.00 39.78 35.94 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 1.03 -0.01 -0.15 5.20 0.00 -1.26 0.26 120.51 125.58 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 0.25 -0.02 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 -1.29 -0.14 -0.02 0.00 0.00 -1.26 0.32 120.64 118.25 2khh n GLU 564 Ca 0.00 0.54 -0.12 0.00 0.00 0.00 0.00 57.16 57.59 2khh n GLU 564 Cb 0.00 -0.80 -0.07 0.00 0.00 0.00 0.00 31.44 30.57 2khh n GLU 564 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.13 179.01 2khh h TYR 565 N 0.00 0.17 -0.88 4.31 -1.99 -1.56 -1.52 116.97 115.51 2khh h TYR 565 Ca 0.08 -0.02 0.23 0.00 2.00 0.00 0.00 58.73 61.02 2khh h TYR 565 Cb 0.17 -0.05 -0.14 0.00 2.00 0.00 0.00 36.73 38.71 2khh h TYR 565 CO -0.35 0.35 0.24 0.00 -0.00 0.00 0.00 178.16 178.39 2khh h THR 566 N -0.05 0.32 -0.39 -2.88 1.03 2.09 1.82 112.91 114.84 2khh h THR 566 Ca 0.03 -0.07 0.00 0.00 -0.01 0.00 0.00 66.41 66.36 2khh h THR 566 Cb 0.26 0.09 -0.02 0.00 -1.07 0.00 0.00 68.15 67.41 2khh h THR 566 CO 0.00 0.04 0.25 0.15 -0.01 0.00 0.00 175.52 175.95 2khh h PHE 567 N 0.21 0.51 -1.28 0.00 3.04 0.45 0.37 116.94 120.24 2khh h PHE 567 Ca 0.55 0.00 0.37 0.00 3.98 0.00 0.00 57.97 62.88 2khh h PHE 567 Cb 1.11 -0.17 -0.07 0.00 2.56 0.00 0.00 35.95 39.39 2khh h PHE 567 CO -0.26 0.34 0.90 1.98 -2.02 0.00 0.00 178.31 179.25 2khh h MET 568 N 0.52 0.07 0.06 1.11 4.05 0.37 1.67 114.93 122.79 2khh h MET 568 Ca 0.14 -0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.29 2khh h MET 568 Cb -0.03 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 2khh h MET 568 CO -0.03 0.05 -1.33 1.25 0.23 0.00 0.00 176.91 177.08 2khh h LEU 569 N 0.07 0.20 -1.95 3.39 6.46 0.18 0.64 115.31 124.31 2khh h LEU 569 Ca 0.64 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 58.15 2khh h LEU 569 Cb 2.37 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 42.23 2khh h LEU 569 CO -0.09 1.21 0.00 0.00 -0.62 0.00 0.00 178.44 178.93 2khh h ALA 570 N 0.76 1.00 0.00 1.25 0.00 0.56 0.50 119.26 123.34 2khh h ALA 570 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.40 2khh h ALA 570 Cb 1.92 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.65 2khh h ALA 570 CO 0.15 0.00 -2.35 -0.85 0.00 0.00 0.00 179.25 176.19 2khh n GLU 571 N -3.03 0.65 0.00 0.00 0.28 0.30 -0.82 120.64 118.02 2khh n GLU 571 Ca -0.01 0.12 0.12 0.00 -0.16 0.00 0.00 57.16 57.23 2khh n GLU 571 Cb 0.22 -1.48 0.57 0.00 1.43 0.00 0.00 31.44 32.18 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 -3.12 0.21 -0.24 3.44 6.02 0.21 -2.48 117.38 121.43 2khh n GLN 572 Ca -0.41 0.07 0.08 0.00 -0.01 0.00 0.00 57.00 56.73 2khh n GLN 572 Cb 0.98 -1.50 0.21 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 -1.37 3.25 -0.27 1.08 3.41 0.17 -4.94 113.62 114.96 2khh n SER 573 Ca 0.09 -1.99 -0.03 0.00 -0.26 0.00 0.00 58.87 56.68 2khh n SER 573 Cb 0.23 -0.31 -0.01 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 0.89 -4.57 -2.69 4.04 3.02 -1.04 -2.74 115.26 112.17 2khh n ASN 574 Ca 0.16 0.09 -0.21 0.00 -0.03 0.00 0.00 54.58 54.58 2khh n ASN 574 Cb 0.49 -2.38 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 -2.51 -1.51 0.00 3.10 7.02 0.00 -4.94 117.44 118.60 2khh n TRP 575 Ca -0.03 0.28 0.00 0.00 -1.02 0.00 0.00 57.50 56.73 2khh n TRP 575 Cb 0.31 -4.23 0.00 0.00 -2.42 0.00 0.00 31.31 24.97 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 -2.22 0.00 0.00 -0.99 2.85 -1.11 -5.05 115.26 108.74 2khh n ASN 576 Ca -0.17 0.28 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 2khh n ASN 576 Cb 0.65 -0.25 0.00 0.00 1.24 0.00 0.00 39.78 41.42 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 -1.24 0.00 -0.34 1.20 9.36 -1.26 -4.89 117.16 119.99 2khh n TYR 577 Ca 0.00 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.28 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 -0.33 2.98 4.57 -1.97 2.41 114.58 122.24 2khh h GLU 578 Ca 0.00 -0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 2khh h GLU 578 Cb 0.00 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2khh h GLU 578 CO 0.00 0.00 -0.30 -0.24 -1.18 0.00 0.00 179.01 177.30 2khh h VAL 579 N 0.00 1.28 0.09 0.32 3.04 -1.90 -1.64 116.25 117.44 2khh h VAL 579 Ca 0.47 -1.42 -0.00 0.00 -1.01 0.00 0.00 66.70 64.73 2khh h VAL 579 Cb 0.74 1.34 -0.01 0.00 -2.01 0.00 0.00 31.29 31.35 2khh h VAL 579 CO -0.97 0.47 -0.16 0.00 -1.01 0.00 0.00 177.57 175.90 2khh h ALA 580 N 1.07 -0.78 -0.31 3.17 0.00 0.36 4.30 119.26 127.07 2khh h ALA 580 Ca 0.07 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2khh h ALA 580 Cb 0.80 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2khh h ALA 580 CO 0.07 -0.80 -0.18 -0.89 0.00 0.00 0.00 179.25 177.44 2khh n ILE 581 N -3.31 -0.21 -0.33 0.00 2.08 0.16 0.31 119.36 118.06 2khh n ILE 581 Ca -0.03 1.74 0.22 0.00 0.56 0.00 0.00 62.75 65.24 2khh n ILE 581 Cb 0.13 -2.25 0.48 0.00 -0.75 0.00 0.00 39.64 37.26 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 0.41 -0.34 0.38 1.57 -0.96 0.23 116.57 117.86 2khh h LYS 582 Ca 0.05 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 2khh h LYS 582 Cb 0.13 -0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.26 2khh h LYS 582 CO -0.29 0.27 -0.46 0.78 -0.57 0.00 0.00 179.45 179.18 2khh h GLY 583 N 0.43 -0.71 0.38 3.86 0.00 2.78 5.13 103.07 114.93 2khh h GLY 583 Ca 0.61 0.59 0.01 0.00 0.00 0.00 0.00 47.33 48.54 2khh h GLY 583 CO -0.34 -0.18 -0.44 -2.75 0.00 0.00 0.00 176.54 172.83 2khh h PHE 584 N -0.39 -1.23 0.00 5.60 3.57 0.14 0.76 116.94 125.38 2khh h PHE 584 Ca 0.11 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.63 2khh h PHE 584 Cb 0.60 0.50 0.00 0.00 2.79 0.00 0.00 35.95 39.85 2khh h PHE 584 CO -0.62 -0.56 0.00 1.04 -2.23 0.00 0.00 178.31 175.94 2khh n GLN 585 N -5.49 0.13 0.00 1.11 1.13 -0.06 -2.58 117.38 111.62 2khh n GLN 585 Ca -0.09 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 2khh n GLN 585 Cb 0.40 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.25 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 -1.08 0.00 0.09 1.08 2.88 1.66 -4.38 113.62 113.86 2khh n SER 586 Ca 0.03 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.60 2khh n SER 586 Cb 0.02 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.65 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 0.16 -2.11 -3.46 7.64 -1.06 -4.64 113.62 110.15 2khh n SER 587 Ca 0.00 0.41 -0.08 0.00 1.01 0.00 0.00 58.87 60.21 2khh n SER 587 Cb 0.00 -0.37 -0.08 0.00 -1.01 0.00 0.00 64.21 62.75 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 -1.66 0.00 0.00 1.43 0.00 -1.07 -2.61 117.12 113.21 2khh n MET 588 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2khh n MET 588 Cb 0.30 -0.48 0.00 0.00 0.00 0.00 0.00 33.22 33.03 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 2.53 0.00 0.00 6.12 5.03 -1.26 -4.98 115.26 122.70 2khh n ASN 589 Ca 0.24 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.69 2khh n ASN 589 Cb 0.11 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.87 2khh n ASN 589 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2khh n GLY 590 N 0.00 0.00 3.53 7.41 0.00 -1.07 -5.06 105.19 109.99 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 -1.65 0.07 -1.43 -0.61 5.41 -1.26 -4.92 119.36 114.97 2khh n ILE 591 Ca 0.00 -0.02 -0.24 0.00 1.00 0.00 0.00 62.75 63.49 2khh n ILE 591 Cb 0.27 -0.26 0.18 0.00 -0.71 0.00 0.00 39.64 39.12 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 1.80 -1.76 0.06 0.38 -0.04 -1.26 -4.82 135.00 129.36 2khh n PRO 592 Ca 0.19 -1.59 0.13 0.00 -0.04 0.00 0.00 63.50 62.20 2khh n PRO 592 Cb 0.12 -1.22 0.49 0.00 -0.04 0.00 0.00 33.50 32.86 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 -3.70 0.15 0.06 0.54 1.74 -1.26 -1.46 116.66 112.74 2khh n ARG 593 Ca 0.13 0.14 -0.16 0.00 -0.77 0.00 0.00 57.85 57.19 2khh n ARG 593 Cb 0.48 -1.68 -0.14 0.00 -1.02 0.00 0.00 32.46 30.10 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 0.24 0.17 5.56 5.08 -1.99 -3.36 114.58 120.29 2khh h GLU 594 Ca 0.00 -0.41 -0.26 0.00 -1.00 0.00 0.00 59.36 57.70 2khh h GLU 594 Cb 0.62 0.15 0.02 0.00 0.50 0.00 0.00 28.75 30.04 2khh h GLU 594 CO 0.00 1.10 -1.17 0.00 -1.00 0.00 0.00 179.01 177.94 2khh h ALA 595 N 0.51 -0.05 -1.76 3.43 0.00 -1.80 -3.41 119.26 116.18 2khh h ALA 595 Ca -0.24 -0.84 -0.66 0.00 0.00 0.00 0.00 54.91 53.17 2khh h ALA 595 Cb 2.01 0.21 -0.16 0.00 0.00 0.00 0.00 17.79 19.85 2khh h ALA 595 CO 0.16 0.59 0.58 0.12 0.00 0.00 0.00 179.25 180.69 2khh s PHE 596 N -2.49 2.84 -1.13 0.00 5.36 -0.53 -0.40 117.98 121.63 2khh s PHE 596 Ca -0.14 -0.85 -0.08 0.00 -0.96 0.00 0.00 56.93 54.90 2khh s PHE 596 Cb 0.03 -4.26 0.27 0.00 -0.34 0.00 0.00 43.02 38.72 2khh s PHE 596 CO 0.85 -1.56 1.35 1.33 -1.46 0.00 0.00 175.22 175.73 2khh n VAL 597 N 5.75 4.77 -0.99 3.12 0.24 -1.24 -4.52 118.33 125.46 2khh n VAL 597 Ca 0.04 -5.40 0.00 0.00 -2.04 0.00 0.00 64.34 56.94 2khh n VAL 597 Cb 0.46 -2.39 0.00 0.00 -1.47 0.00 0.00 33.84 30.44 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 2.72 -0.14 0.00 7.34 7.27 -1.26 -4.91 117.38 128.39 2khh n GLN 598 Ca 0.28 0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.38 2khh n GLN 598 Cb 0.37 -3.09 0.00 0.00 2.41 0.00 0.00 30.24 29.93 2khh n GLN 598 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32