#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 3.41 0.39 0.55 2.96 -1.26 -5.08 118.68 119.66 2khh s LEU 544 Ca 0.00 1.52 0.07 0.00 -0.22 0.00 0.00 54.13 55.50 2khh s LEU 544 Cb 0.00 -4.49 0.00 0.00 0.50 0.00 0.00 46.19 42.20 2khh s LEU 544 CO 0.00 -0.79 0.52 0.20 -1.32 0.00 0.00 176.35 174.96 2khh s ASN 545 N -3.60 5.73 0.41 3.68 0.01 -1.26 -4.94 114.94 114.97 2khh s ASN 545 Ca 0.57 -0.36 0.21 0.00 -0.71 0.00 0.00 52.86 52.57 2khh s ASN 545 Cb -0.11 -0.85 0.84 0.00 0.41 0.00 0.00 41.25 41.53 2khh s ASN 545 CO 0.43 -0.64 1.80 1.55 -1.51 0.00 0.00 177.10 178.74 2khh h PRO 546 N 0.76 0.00 -0.03 -0.60 0.13 -1.97 0.13 132.00 130.42 2khh h PRO 546 Ca -0.42 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.69 2khh h PRO 546 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2khh h PRO 546 CO 0.48 0.30 -0.07 0.28 -0.23 0.00 0.00 178.00 178.76 2khh h VAL 547 N 0.00 1.47 0.01 1.56 2.07 -1.99 -1.01 116.25 118.36 2khh h VAL 547 Ca -0.00 -1.48 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 2khh h VAL 547 Cb 0.78 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 2khh h VAL 547 CO 0.04 0.40 -0.01 1.56 0.02 0.00 0.00 177.57 179.58 2khh h GLN 548 N -0.48 -0.02 -0.41 1.57 4.20 -1.95 -1.12 115.11 116.91 2khh h GLN 548 Ca -0.00 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.79 2khh h GLN 548 Cb 0.69 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.38 2khh h GLN 548 CO 0.02 0.29 -0.26 1.25 -0.67 0.00 0.00 178.83 179.45 2khh h LEU 549 N -0.33 -0.88 -0.57 1.46 7.12 -0.80 0.29 115.31 121.61 2khh h LEU 549 Ca -0.00 0.17 0.10 0.00 0.13 0.00 0.00 57.88 58.28 2khh h LEU 549 Cb 0.31 0.44 -0.08 0.00 -0.53 0.00 0.00 40.66 40.81 2khh h LEU 549 CO 0.00 -0.28 0.14 -0.33 -0.13 0.00 0.00 178.44 177.85 2khh h GLU 550 N -0.19 0.28 -0.41 1.25 4.39 -1.07 0.51 114.58 119.33 2khh h GLU 550 Ca 0.19 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.95 2khh h GLU 550 Cb 0.49 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.01 2khh h GLU 550 CO -0.52 0.19 -0.05 1.25 -1.16 0.00 0.00 179.01 178.72 2khh h LEU 551 N 0.29 -0.27 -0.69 1.33 5.85 0.75 0.19 115.31 122.76 2khh h LEU 551 Ca 0.29 0.11 0.14 0.00 0.84 0.00 0.00 57.88 59.26 2khh h LEU 551 Cb 0.40 0.21 -0.10 0.00 0.37 0.00 0.00 40.66 41.54 2khh h LEU 551 CO -0.35 -0.09 0.17 -0.07 -0.34 0.00 0.00 178.44 177.75 2khh h LEU 552 N 0.06 0.03 -0.09 2.25 3.38 0.15 0.64 115.31 121.72 2khh h LEU 552 Ca 0.20 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.34 2khh h LEU 552 Cb 0.30 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 2khh h LEU 552 CO -0.38 -0.01 -0.23 -1.13 0.09 0.00 0.00 178.44 176.79 2khh h ASN 553 N 0.28 -0.69 -0.86 -0.43 -0.73 0.54 1.90 115.58 115.58 2khh h ASN 553 Ca 0.38 0.11 0.01 0.00 1.87 0.00 0.00 56.30 58.66 2khh h ASN 553 Cb 0.61 0.30 -0.04 0.00 0.27 0.00 0.00 38.32 39.46 2khh h ASN 553 CO -0.46 -0.28 0.56 0.11 -0.37 0.00 0.00 177.43 176.99 2khh h LYS 554 N -0.31 1.15 -0.47 6.67 1.79 0.27 0.65 116.57 126.32 2khh h LYS 554 Ca 0.09 -0.08 -0.06 0.00 -2.18 0.00 0.00 60.65 58.43 2khh h LYS 554 Cb 0.43 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 2khh h LYS 554 CO -0.27 0.77 0.08 1.25 -1.08 0.00 0.00 179.45 180.20 2khh h LEU 555 N 1.18 0.74 0.00 2.94 5.85 0.22 1.15 115.31 127.40 2khh h LEU 555 Ca 0.32 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2khh h LEU 555 Cb -0.12 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.72 2khh h LEU 555 CO -0.07 0.81 0.00 1.57 -0.34 0.00 0.00 178.44 180.42 2khh n HIS 556 N -4.45 0.00 0.55 1.25 -0.00 0.62 -0.23 115.22 112.97 2khh n HIS 556 Ca 0.01 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.25 2khh n HIS 556 Cb 0.25 -0.38 -0.02 0.00 -0.12 0.00 0.00 29.99 29.72 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 -1.38 1.14 -0.05 0.27 7.99 0.22 -3.12 117.00 122.07 2khh n LEU 557 Ca 0.10 -0.69 -0.09 0.00 -0.01 0.00 0.00 56.01 55.32 2khh n LEU 557 Cb 0.26 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.53 2khh n LEU 557 CO 0.23 0.23 -0.83 1.21 -1.51 0.00 0.00 177.39 176.72 2khh n GLU 558 N -0.52 0.22 -0.01 3.23 0.00 0.39 -4.70 120.64 119.26 2khh n GLU 558 Ca 0.04 0.08 0.11 0.00 0.00 0.00 0.00 57.16 57.39 2khh n GLU 558 Cb 0.24 -0.99 -0.16 0.00 0.00 0.00 0.00 31.44 30.53 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 -3.19 0.01 -3.05 6.31 5.66 0.68 -4.95 114.28 115.75 2khh n THR 559 Ca -0.19 -0.48 -0.14 0.00 -3.05 0.00 0.00 64.05 60.20 2khh n THR 559 Cb 0.66 0.04 -0.03 0.00 -1.55 0.00 0.00 70.33 69.45 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 -2.23 -2.17 -1.41 1.09 5.02 -0.81 -4.65 118.16 113.01 2khh n LYS 560 Ca -0.04 0.04 -0.25 0.00 -2.02 0.00 0.00 58.31 56.05 2khh n LYS 560 Cb 0.56 -4.31 -0.06 0.00 -0.02 0.00 0.00 35.03 31.19 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 6.34 -1.60 -0.35 -0.00 -1.25 -3.43 117.00 113.85 2khh n LEU 561 Ca 0.04 -3.93 0.00 0.00 -0.00 0.00 0.00 56.01 52.12 2khh n LEU 561 Cb 0.46 -1.24 0.00 0.00 -0.00 0.00 0.00 43.42 42.63 2khh n LEU 561 CO 0.30 1.70 -0.36 -3.20 -0.00 0.00 0.00 177.39 175.83 2khh n ASN 562 N 1.02 -7.45 0.00 1.45 5.15 0.24 -3.36 115.26 112.30 2khh n ASN 562 Ca 0.47 1.04 0.00 0.00 -0.60 0.00 0.00 54.58 55.49 2khh n ASN 562 Cb 0.59 -3.93 0.00 0.00 -0.53 0.00 0.00 39.78 35.91 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 0.27 120.51 125.60 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 -0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 -1.19 -0.11 -0.02 0.00 1.02 -1.26 0.33 120.64 119.41 2khh n GLU 564 Ca 0.00 0.56 -0.12 0.00 -0.02 0.00 0.00 57.16 57.58 2khh n GLU 564 Cb 0.00 -0.84 -0.08 0.00 -0.02 0.00 0.00 31.44 30.51 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 0.12 -0.93 -0.32 -1.99 -1.55 -1.52 116.97 110.77 2khh h TYR 565 Ca 0.10 -0.02 0.27 0.00 2.00 0.00 0.00 58.73 61.08 2khh h TYR 565 Cb 0.20 -0.03 -0.14 0.00 2.00 0.00 0.00 36.73 38.75 2khh h TYR 565 CO -0.34 0.39 0.36 0.00 -0.00 0.00 0.00 178.16 178.56 2khh h THR 566 N -0.18 0.31 -0.25 -2.88 1.03 2.17 1.87 112.91 114.98 2khh h THR 566 Ca 0.02 -0.09 -0.01 0.00 -0.01 0.00 0.00 66.41 66.32 2khh h THR 566 Cb 0.34 0.03 -0.01 0.00 -1.07 0.00 0.00 68.15 67.44 2khh h THR 566 CO 0.00 0.05 0.13 0.15 -0.01 0.00 0.00 175.52 175.84 2khh h PHE 567 N 0.25 0.35 -1.37 0.00 3.04 0.47 0.27 116.94 119.95 2khh h PHE 567 Ca 0.62 -0.01 0.40 0.00 3.98 0.00 0.00 57.97 62.95 2khh h PHE 567 Cb 1.32 -0.11 -0.06 0.00 2.56 0.00 0.00 35.95 39.66 2khh h PHE 567 CO -0.17 0.33 0.98 1.98 -2.02 0.00 0.00 178.31 179.40 2khh h MET 568 N 0.28 0.03 0.06 1.11 4.05 0.38 1.88 114.93 122.72 2khh h MET 568 Ca 0.09 -0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 59.23 2khh h MET 568 Cb 0.10 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 2khh h MET 568 CO -0.01 0.02 -1.39 1.25 0.23 0.00 0.00 176.91 177.01 2khh h LEU 569 N 0.03 0.21 -1.87 3.39 6.46 0.16 0.74 115.31 124.43 2khh h LEU 569 Ca 0.67 -0.28 0.00 0.00 -0.12 0.00 0.00 57.88 58.15 2khh h LEU 569 Cb 2.59 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 42.45 2khh h LEU 569 CO -0.05 1.23 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 0.60 0.48 119.26 123.32 2khh h ALA 570 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.38 2khh h ALA 570 Cb 1.94 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.67 2khh h ALA 570 CO 0.14 0.00 -2.34 -0.85 0.00 0.00 0.00 179.25 176.20 2khh n GLU 571 N -2.98 0.61 0.00 0.00 0.28 0.33 -0.91 120.64 117.97 2khh n GLU 571 Ca -0.00 0.13 0.10 0.00 -0.16 0.00 0.00 57.16 57.22 2khh n GLU 571 Cb 0.22 -1.47 0.47 0.00 1.43 0.00 0.00 31.44 32.08 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 -3.16 0.08 -0.50 3.44 6.02 0.25 -2.23 117.38 121.29 2khh n GLN 572 Ca -0.41 0.13 0.08 0.00 -0.01 0.00 0.00 57.00 56.79 2khh n GLN 572 Cb 0.95 -1.50 0.28 0.00 1.02 0.00 0.00 30.24 30.99 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 4.12 -1.15 1.08 3.41 0.17 -4.93 113.62 114.88 2khh n SER 573 Ca 0.06 -2.97 -0.12 0.00 -0.26 0.00 0.00 58.87 55.58 2khh n SER 573 Cb 0.22 -0.56 -0.05 0.00 -0.26 0.00 0.00 64.21 63.56 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 -0.31 -4.08 -3.47 4.04 0.23 -0.95 -1.60 115.26 109.12 2khh n ASN 574 Ca 0.22 0.30 -0.25 0.00 -0.53 0.00 0.00 54.58 54.32 2khh n ASN 574 Cb 0.92 -3.47 0.05 0.00 -2.08 0.00 0.00 39.78 35.21 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 -1.89 -2.48 -0.01 -2.53 7.02 -0.09 -4.93 117.44 112.53 2khh n TRP 575 Ca -0.12 0.83 -0.00 0.00 -1.02 0.00 0.00 57.50 57.19 2khh n TRP 575 Cb 0.47 -4.61 -0.00 0.00 -2.42 0.00 0.00 31.31 24.76 2khh n TRP 575 CO 0.00 0.00 0.00 -0.97 -2.02 0.00 0.00 177.69 174.70 2khh h ASN 576 N -2.14 -0.01 0.00 -0.99 -0.73 -1.57 -3.50 115.58 106.64 2khh h ASN 576 Ca -0.55 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.62 2khh h ASN 576 Cb 1.37 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.96 2khh h ASN 576 CO 0.58 0.09 0.00 0.00 -0.37 0.00 0.00 177.43 177.73 2khh n TYR 577 N -2.57 0.00 -0.34 0.67 9.36 -1.26 -4.85 117.16 118.16 2khh n TYR 577 Ca -0.00 0.00 0.09 0.00 3.32 0.00 0.00 57.90 61.31 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 1.49 0.22 0.00 0.00 176.86 178.57 2khh h GLU 578 N 0.00 0.01 -0.32 2.98 4.81 -1.97 2.10 114.58 122.20 2khh h GLU 578 Ca 0.00 -0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 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 -0.43 -0.24 -0.73 0.00 0.00 179.01 177.62 2khh h VAL 579 N 0.01 1.28 0.04 0.32 3.04 -1.90 -1.58 116.25 117.46 2khh h VAL 579 Ca 0.51 -1.61 0.01 0.00 -1.01 0.00 0.00 66.70 64.60 2khh h VAL 579 Cb 0.90 1.49 -0.02 0.00 -2.01 0.00 0.00 31.29 31.65 2khh h VAL 579 CO -0.96 0.53 -0.22 0.00 -1.01 0.00 0.00 177.57 175.91 2khh h ALA 580 N 0.87 -0.73 -0.38 3.17 0.00 0.29 5.54 119.26 128.01 2khh h ALA 580 Ca 0.05 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2khh h ALA 580 Cb 1.00 0.64 -0.05 0.00 0.00 0.00 0.00 17.79 19.37 2khh h ALA 580 CO 0.10 -0.79 -0.24 0.82 0.00 0.00 0.00 179.25 179.14 2khh h ILE 581 N -0.30 0.00 -1.04 0.00 1.08 -0.16 2.41 117.51 119.50 2khh h ILE 581 Ca -0.00 0.00 0.26 0.00 -0.39 0.00 0.00 64.86 64.73 2khh h ILE 581 Cb 0.31 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 33.95 2khh h ILE 581 CO -0.12 0.00 0.64 0.11 -0.69 0.00 0.00 178.15 178.09 2khh h LYS 582 N -0.02 0.45 -0.43 2.37 1.57 -0.71 0.24 116.57 120.04 2khh h LYS 582 Ca 0.06 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.89 2khh h LYS 582 Cb 0.18 -0.10 -0.09 0.00 0.08 0.00 0.00 32.23 32.30 2khh h LYS 582 CO -0.37 0.30 -0.44 0.78 -0.57 0.00 0.00 179.45 179.14 2khh h GLY 583 N 0.46 -0.59 0.47 3.86 0.00 2.82 4.46 103.07 114.55 2khh h GLY 583 Ca 0.63 0.56 -0.00 0.00 0.00 0.00 0.00 47.33 48.52 2khh h GLY 583 CO -0.38 -0.17 -0.46 -2.75 0.00 0.00 0.00 176.54 172.78 2khh h PHE 584 N -0.32 -1.28 0.00 5.60 3.57 0.12 0.65 116.94 125.27 2khh h PHE 584 Ca 0.14 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2khh h PHE 584 Cb 0.58 0.51 0.00 0.00 2.79 0.00 0.00 35.95 39.83 2khh h PHE 584 CO -0.64 -0.61 0.00 1.04 -2.23 0.00 0.00 178.31 175.87 2khh n GLN 585 N -5.52 0.12 0.00 1.11 1.13 0.12 -2.66 117.38 111.69 2khh n GLN 585 Ca -0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.96 2khh n GLN 585 Cb 0.43 -1.42 0.00 0.00 0.11 0.00 0.00 30.24 29.36 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 -0.92 0.00 0.08 1.08 2.88 1.45 -4.48 113.62 113.70 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 0.01 0.00 0.18 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 -0.01 0.17 -2.05 -3.46 7.64 -1.05 -4.68 113.62 110.18 2khh n SER 587 Ca 0.00 0.44 -0.10 0.00 1.01 0.00 0.00 58.87 60.22 2khh n SER 587 Cb 0.00 -0.42 -0.10 0.00 -1.01 0.00 0.00 64.21 62.68 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 -1.68 0.00 0.00 1.43 0.00 -1.09 -2.73 117.12 113.05 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 0.24 -0.46 0.00 0.00 0.00 0.00 0.00 33.22 33.00 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 2.49 0.00 0.00 6.12 5.03 -1.26 -4.98 115.26 122.66 2khh n ASN 589 Ca 0.30 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.75 2khh n ASN 589 Cb 0.07 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.83 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 3.60 7.41 0.00 -1.11 -5.06 105.19 110.03 2khh n GLY 590 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.19 0.04 -1.21 -0.61 5.41 -1.26 -4.94 119.36 115.61 2khh n ILE 591 Ca 0.00 -0.01 -0.20 0.00 1.00 0.00 0.00 62.75 63.54 2khh n ILE 591 Cb 0.18 -0.84 0.16 0.00 -0.71 0.00 0.00 39.64 38.42 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 2.87 -1.76 0.10 0.38 -0.04 -1.26 -4.79 135.00 130.50 2khh n PRO 592 Ca 0.20 -1.28 0.13 0.00 -0.04 0.00 0.00 63.50 62.51 2khh n PRO 592 Cb 0.18 -1.03 0.42 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 -3.39 0.24 0.12 0.54 1.74 -1.26 -1.29 116.66 113.37 2khh n ARG 593 Ca 0.11 0.21 -0.24 0.00 -0.77 0.00 0.00 57.85 57.16 2khh n ARG 593 Cb 0.40 -1.79 -0.16 0.00 -1.02 0.00 0.00 32.46 29.89 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 0.50 0.10 5.56 5.08 -1.99 -3.35 114.58 120.49 2khh h GLU 594 Ca 0.00 -0.85 -0.24 0.00 -1.00 0.00 0.00 59.36 57.27 2khh h GLU 594 Cb 0.70 0.32 0.02 0.00 0.50 0.00 0.00 28.75 30.29 2khh h GLU 594 CO 0.00 1.41 -0.99 0.00 -1.00 0.00 0.00 179.01 178.43 2khh h ALA 595 N 0.14 -0.02 -1.87 3.43 0.00 -1.81 -3.41 119.26 115.73 2khh h ALA 595 Ca -0.29 -0.71 -0.68 0.00 0.00 0.00 0.00 54.91 53.23 2khh h ALA 595 Cb 2.15 0.09 -0.18 0.00 0.00 0.00 0.00 17.79 19.86 2khh h ALA 595 CO 0.24 0.52 0.36 0.12 0.00 0.00 0.00 179.25 180.50 2khh s PHE 596 N -2.87 2.94 -0.98 0.00 5.36 -0.41 -0.59 117.98 121.43 2khh s PHE 596 Ca -0.11 -0.94 -0.13 0.00 -0.96 0.00 0.00 56.93 54.79 2khh s PHE 596 Cb 0.04 -4.14 0.23 0.00 -0.34 0.00 0.00 43.02 38.80 2khh s PHE 596 CO 0.88 -1.43 1.00 0.14 -1.46 0.00 0.00 175.22 174.35 2khh s VAL 597 N 3.02 5.61 0.00 3.12 -7.23 -1.22 -4.49 120.40 119.21 2khh s VAL 597 Ca 0.18 -2.75 0.00 0.00 -1.81 0.00 0.00 61.98 57.61 2khh s VAL 597 Cb -0.18 -4.60 0.00 0.00 0.56 0.00 0.00 36.38 32.16 2khh s VAL 597 CO 0.04 -1.20 0.00 0.00 -0.31 0.00 0.00 175.10 173.63 2khh n GLN 598 N 3.95 -1.15 0.00 4.82 6.02 -1.26 -4.88 117.38 124.88 2khh n GLN 598 Ca 0.21 0.29 0.00 0.00 -0.01 0.00 0.00 57.00 57.49 2khh n GLN 598 Cb 0.44 -4.15 0.00 0.00 1.02 0.00 0.00 30.24 27.55 2khh n GLN 598 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24