#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 -1.40 -4.77 2.89 7.94 -1.26 -4.84 117.00 115.56 2khh n LEU 544 Ca 0.00 2.72 -0.38 0.00 -1.11 0.00 0.00 56.01 57.25 2khh n LEU 544 Cb 0.00 -3.20 -0.06 0.00 0.53 0.00 0.00 43.42 40.69 2khh n LEU 544 CO 0.00 -1.54 0.10 0.21 -1.11 0.00 0.00 177.39 175.05 2khh s ASN 545 N -6.44 6.67 0.60 1.96 2.47 -1.26 -4.91 114.94 114.04 2khh s ASN 545 Ca 0.00 0.80 0.29 0.00 0.42 0.00 0.00 52.86 54.36 2khh s ASN 545 Cb 0.00 -2.24 1.01 0.00 -1.45 0.00 0.00 41.25 38.56 2khh s ASN 545 CO 0.00 0.16 1.35 -0.65 -3.72 0.00 0.00 177.10 174.24 2khh h PRO 546 N 5.87 0.00 0.13 0.43 0.11 -1.98 0.56 132.00 137.11 2khh h PRO 546 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 2khh h PRO 546 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2khh h PRO 546 CO 0.70 0.00 -0.06 0.28 -0.21 0.00 0.00 178.00 178.70 2khh h VAL 547 N 0.00 0.80 -0.48 3.15 2.07 -1.99 -1.15 116.25 118.65 2khh h VAL 547 Ca 0.51 -1.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.78 2khh h VAL 547 Cb 2.91 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 34.06 2khh h VAL 547 CO -0.01 0.23 0.27 1.56 0.02 0.00 0.00 177.57 179.64 2khh h GLN 548 N -0.92 0.66 0.33 1.57 4.20 -0.45 -0.59 115.11 119.91 2khh h GLN 548 Ca -0.02 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 2khh h GLN 548 Cb 0.51 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2khh h GLN 548 CO 0.03 0.48 -0.16 1.25 -0.67 0.00 0.00 178.83 179.76 2khh h LEU 549 N 0.67 -0.38 -1.27 1.46 7.12 -0.65 0.10 115.31 122.36 2khh h LEU 549 Ca 0.17 -0.05 0.17 0.00 0.13 0.00 0.00 57.88 58.31 2khh h LEU 549 Cb 0.01 0.10 -0.08 0.00 -0.53 0.00 0.00 40.66 40.16 2khh h LEU 549 CO -0.03 -0.20 0.59 -0.33 -0.13 0.00 0.00 178.44 178.35 2khh h GLU 550 N -0.54 0.63 0.07 1.25 5.08 -0.61 0.17 114.58 120.63 2khh h GLU 550 Ca -0.05 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2khh h GLU 550 Cb 0.40 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2khh h GLU 550 CO 0.08 0.42 -0.03 1.25 -1.00 0.00 0.00 179.01 179.72 2khh h LEU 551 N 0.65 -0.08 -0.89 1.33 5.85 -0.34 -0.03 115.31 121.80 2khh h LEU 551 Ca 0.49 -0.01 0.19 0.00 0.84 0.00 0.00 57.88 59.38 2khh h LEU 551 Cb 0.87 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.81 2khh h LEU 551 CO -0.24 -0.04 0.45 -0.07 -0.34 0.00 0.00 178.44 178.20 2khh h LEU 552 N -0.12 0.48 0.34 2.25 3.38 0.13 0.95 115.31 122.72 2khh h LEU 552 Ca -0.01 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2khh h LEU 552 Cb 0.09 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2khh h LEU 552 CO 0.02 0.12 -0.16 0.78 0.09 0.00 0.00 178.44 179.29 2khh h ASN 553 N 0.54 -0.38 -0.76 -0.43 -0.26 -0.42 2.20 115.58 116.07 2khh h ASN 553 Ca 0.53 -0.08 0.10 0.00 -0.56 0.00 0.00 56.30 56.29 2khh h ASN 553 Cb 0.89 0.10 -0.05 0.00 -1.06 0.00 0.00 38.32 38.20 2khh h ASN 553 CO -0.44 -0.16 0.50 0.50 -1.06 0.00 0.00 177.43 176.77 2khh h LYS 554 N -0.60 0.65 -0.16 0.81 1.63 0.38 0.94 116.57 120.21 2khh h LYS 554 Ca -0.05 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.60 2khh h LYS 554 Cb 0.44 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 2khh h LYS 554 CO 0.08 0.43 -0.34 1.25 -3.45 0.00 0.00 179.45 177.42 2khh h LEU 555 N 0.67 0.57 0.00 5.20 5.85 0.15 0.38 115.31 128.14 2khh h LEU 555 Ca 0.35 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2khh h LEU 555 Cb 0.46 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.33 2khh h LEU 555 CO -0.13 1.02 0.00 1.57 -0.34 0.00 0.00 178.44 180.57 2khh n HIS 556 N -4.34 0.00 0.23 1.25 -0.00 0.74 -0.38 115.22 112.72 2khh n HIS 556 Ca -0.06 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.16 2khh n HIS 556 Cb 0.50 -0.11 -0.07 0.00 -0.12 0.00 0.00 29.99 30.19 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 -1.11 0.23 -0.11 0.27 7.99 0.30 -3.38 117.00 121.19 2khh n LEU 557 Ca 0.15 -0.25 -0.20 0.00 -0.01 0.00 0.00 56.01 55.70 2khh n LEU 557 Cb 0.12 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.35 2khh n LEU 557 CO 0.15 0.06 -1.21 -0.62 -1.51 0.00 0.00 177.39 174.25 2khh n GLU 558 N -1.54 0.47 -0.02 3.23 -0.58 0.13 -4.63 120.64 117.70 2khh n GLU 558 Ca -0.00 0.17 0.08 0.00 -0.42 0.00 0.00 57.16 57.00 2khh n GLU 558 Cb 0.21 -1.31 -0.16 0.00 -0.57 0.00 0.00 31.44 29.61 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 -3.69 0.19 -2.10 2.62 5.66 0.49 -4.95 114.28 112.51 2khh n THR 559 Ca -0.40 -0.55 -0.01 0.00 -3.05 0.00 0.00 64.05 60.04 2khh n THR 559 Cb 0.83 -0.07 -0.00 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 -2.33 -2.41 -1.30 1.09 5.02 -0.74 -4.65 118.16 112.84 2khh n LYS 560 Ca -0.07 0.07 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 2khh n LYS 560 Cb 0.64 -4.45 -0.10 0.00 -0.02 0.00 0.00 35.03 31.11 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 -2.14 6.49 -1.71 -0.35 -0.00 -1.26 -3.68 117.00 114.34 2khh n LEU 561 Ca -0.01 -3.81 0.00 0.00 -0.00 0.00 0.00 56.01 52.18 2khh n LEU 561 Cb 0.38 -1.39 0.00 0.00 -0.00 0.00 0.00 43.42 42.42 2khh n LEU 561 CO 0.02 1.81 -0.41 -3.20 -0.00 0.00 0.00 177.39 175.62 2khh n ASN 562 N 2.15 -8.13 0.00 1.45 5.15 0.35 -3.26 115.26 112.98 2khh n ASN 562 Ca 0.53 1.16 0.00 0.00 -0.60 0.00 0.00 54.58 55.67 2khh n ASN 562 Cb 0.63 -4.30 0.00 0.00 -0.53 0.00 0.00 39.78 35.58 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 1.00 -0.01 -0.12 5.20 0.00 -1.26 0.29 120.51 125.61 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 -1.15 -0.10 -0.02 0.00 2.13 -1.26 0.34 120.64 120.57 2khh n GLU 564 Ca 0.00 0.45 -0.12 0.00 0.66 0.00 0.00 57.16 58.15 2khh n GLU 564 Cb 0.00 -0.67 -0.08 0.00 0.27 0.00 0.00 31.44 30.96 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 0.12 -0.95 4.31 -1.99 -1.56 -1.53 116.97 115.38 2khh h TYR 565 Ca 0.08 -0.03 0.27 0.00 2.00 0.00 0.00 58.73 61.05 2khh h TYR 565 Cb 0.15 -0.03 -0.14 0.00 2.00 0.00 0.00 36.73 38.71 2khh h TYR 565 CO -0.28 0.44 0.45 0.00 -0.00 0.00 0.00 178.16 178.76 2khh h THR 566 N -0.22 0.37 -0.31 -2.88 1.03 2.32 1.88 112.91 115.09 2khh h THR 566 Ca 0.02 -0.12 -0.01 0.00 -0.01 0.00 0.00 66.41 66.28 2khh h THR 566 Cb 0.39 -0.00 -0.01 0.00 -1.07 0.00 0.00 68.15 67.46 2khh h THR 566 CO 0.01 0.06 0.14 0.15 -0.01 0.00 0.00 175.52 175.86 2khh h PHE 567 N 0.34 0.46 -1.34 0.00 3.04 0.74 0.29 116.94 120.46 2khh h PHE 567 Ca 0.64 -0.03 0.39 0.00 3.98 0.00 0.00 57.97 62.95 2khh h PHE 567 Cb 1.35 -0.14 -0.08 0.00 2.56 0.00 0.00 35.95 39.64 2khh h PHE 567 CO -0.10 0.42 0.93 1.98 -2.02 0.00 0.00 178.31 179.52 2khh h MET 568 N 0.36 0.08 0.07 1.11 4.05 0.39 1.91 114.93 122.89 2khh h MET 568 Ca 0.10 -0.00 -0.27 0.00 -0.28 0.00 0.00 59.70 59.25 2khh h MET 568 Cb 0.15 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 2khh h MET 568 CO -0.01 0.05 -1.33 1.25 0.23 0.00 0.00 176.91 177.10 2khh h LEU 569 N 0.09 0.22 -1.71 3.39 6.46 0.15 0.94 115.31 124.84 2khh h LEU 569 Ca 0.69 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 58.18 2khh h LEU 569 Cb 2.49 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 42.35 2khh h LEU 569 CO -0.13 1.22 0.00 0.00 -0.62 0.00 0.00 178.44 178.91 2khh h ALA 570 N 0.74 1.00 0.00 1.25 0.00 0.62 0.47 119.26 123.34 2khh h ALA 570 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.44 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 -2.19 -0.85 0.00 0.00 0.00 179.25 176.35 2khh n GLU 571 N -2.81 0.66 0.00 0.00 0.28 0.34 -1.23 120.64 117.88 2khh n GLU 571 Ca -0.00 0.10 0.12 0.00 -0.16 0.00 0.00 57.16 57.22 2khh n GLU 571 Cb 0.19 -1.42 0.59 0.00 1.43 0.00 0.00 31.44 32.23 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 -3.04 0.25 -0.25 3.44 6.02 0.32 -2.55 117.38 121.58 2khh n GLN 572 Ca -0.36 0.06 0.07 0.00 -0.01 0.00 0.00 57.00 56.77 2khh n GLN 572 Cb 0.92 -1.50 0.21 0.00 1.02 0.00 0.00 30.24 30.89 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 -1.35 3.28 -0.33 1.08 3.41 0.16 -4.94 113.62 114.92 2khh n SER 573 Ca 0.10 -2.03 -0.04 0.00 -0.26 0.00 0.00 58.87 56.64 2khh n SER 573 Cb 0.22 -0.32 -0.02 0.00 -0.26 0.00 0.00 64.21 63.84 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 0.83 -4.52 -3.23 4.04 3.02 -1.06 -2.87 115.26 111.48 2khh n ASN 574 Ca 0.16 0.11 -0.23 0.00 -0.03 0.00 0.00 54.58 54.58 2khh n ASN 574 Cb 0.50 -2.40 0.04 0.00 -0.61 0.00 0.00 39.78 37.31 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 -2.54 -2.21 0.00 3.10 7.02 -0.37 -4.94 117.44 117.50 2khh n TRP 575 Ca -0.04 0.66 0.00 0.00 -1.02 0.00 0.00 57.50 57.10 2khh n TRP 575 Cb 0.31 -4.52 0.00 0.00 -2.42 0.00 0.00 31.31 24.68 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 -2.65 0.00 0.00 -0.99 5.15 -1.14 -5.06 115.26 110.57 2khh n ASN 576 Ca -0.07 0.25 0.00 0.00 -0.60 0.00 0.00 54.58 54.16 2khh n ASN 576 Cb 0.60 -0.29 0.00 0.00 -0.53 0.00 0.00 39.78 39.56 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 -1.45 0.00 -0.35 1.20 9.36 -1.26 -4.88 117.16 119.77 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 -0.34 2.98 4.81 -1.97 2.16 114.58 122.22 2khh h GLU 578 Ca 0.00 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.08 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 -0.37 -0.24 -0.73 0.00 0.00 179.01 177.67 2khh h VAL 579 N 0.00 1.28 0.00 0.32 3.04 -1.90 -1.50 116.25 117.50 2khh h VAL 579 Ca 0.48 -1.54 0.00 0.00 -1.01 0.00 0.00 66.70 64.63 2khh h VAL 579 Cb 0.74 1.42 -0.01 0.00 -2.01 0.00 0.00 31.29 31.42 2khh h VAL 579 CO -1.01 0.51 -0.11 0.00 -1.01 0.00 0.00 177.57 175.95 2khh h ALA 580 N 0.91 -0.60 -0.93 3.17 0.00 0.31 5.16 119.26 127.28 2khh h ALA 580 Ca 0.06 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2khh h ALA 580 Cb 0.93 0.59 -0.13 0.00 0.00 0.00 0.00 17.79 19.18 2khh h ALA 580 CO 0.09 -0.63 -0.52 0.82 0.00 0.00 0.00 179.25 179.01 2khh h ILE 581 N -0.14 0.01 -0.76 0.00 1.08 -0.33 2.50 117.51 119.87 2khh h ILE 581 Ca 0.00 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.63 2khh h ILE 581 Cb 0.15 0.01 -0.10 0.00 -3.07 0.00 0.00 36.82 33.80 2khh h ILE 581 CO -0.07 0.00 0.26 0.50 -0.69 0.00 0.00 178.15 178.15 2khh h LYS 582 N -0.04 0.36 -0.25 2.37 3.64 -0.16 -0.73 116.57 121.76 2khh h LYS 582 Ca 0.21 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 2khh h LYS 582 Cb 0.49 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.17 2khh h LYS 582 CO -0.91 0.24 -0.43 0.78 -2.27 0.00 0.00 179.45 176.85 2khh h GLY 583 N 0.37 -1.21 -0.23 5.01 0.00 2.77 2.01 103.07 111.79 2khh h GLY 583 Ca 0.43 0.72 0.03 0.00 0.00 0.00 0.00 47.33 48.51 2khh h GLY 583 CO -0.46 -0.26 -0.26 -2.75 0.00 0.00 0.00 176.54 172.81 2khh h PHE 584 N -0.36 -0.81 0.00 5.60 3.57 0.54 1.68 116.94 127.17 2khh h PHE 584 Ca 0.05 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2khh h PHE 584 Cb 0.49 0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.61 2khh h PHE 584 CO -0.65 -0.22 0.00 0.00 -2.23 0.00 0.00 178.31 175.21 2khh n GLN 585 N -3.96 0.63 0.00 1.11 10.64 -0.66 -3.67 117.38 121.47 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 -1.32 0.00 0.00 -0.86 0.00 0.00 30.24 28.22 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 0.18 0.00 -0.02 2.61 2.88 0.67 -4.78 113.62 115.16 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 0.16 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.56 2khh n SER 586 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2khh h SER 587 N 0.00 -1.01 -6.01 -3.46 0.87 -1.62 -3.45 113.55 98.86 2khh h SER 587 Ca 0.00 0.12 -0.23 0.00 -1.23 0.00 0.00 61.79 60.45 2khh h SER 587 Cb 0.00 0.40 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2khh h SER 587 CO 0.00 -0.27 -0.49 0.80 -0.53 0.00 0.00 176.83 176.34 2khh n MET 588 N -4.22 -0.69 0.00 2.24 0.00 -1.24 -4.62 117.12 108.59 2khh n MET 588 Ca -0.03 0.23 0.00 0.00 0.00 0.00 0.00 57.70 57.90 2khh n MET 588 Cb 0.21 -0.91 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 -1.71 0.00 0.00 0.00 175.97 174.26 2khh n ASN 589 N -0.82 0.00 0.00 6.12 2.85 -1.26 -4.95 115.26 117.19 2khh n ASN 589 Ca -0.13 -0.27 0.00 0.00 -0.11 0.00 0.00 54.58 54.07 2khh n ASN 589 Cb 0.30 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.32 2khh n ASN 589 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2khh n GLY 590 N 0.00 0.02 3.69 8.20 0.00 -1.26 -5.08 105.19 110.77 2khh n GLY 590 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 0.28 -1.40 -0.61 -5.35 -1.26 -4.97 119.36 106.05 2khh n ILE 591 Ca 0.00 -0.05 -0.21 0.00 -0.27 0.00 0.00 62.75 62.21 2khh n ILE 591 Cb 0.00 -2.03 0.16 0.00 -1.74 0.00 0.00 39.64 36.03 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 5.22 -1.50 0.08 6.28 -0.04 -1.26 -4.82 135.00 138.96 2khh n PRO 592 Ca 0.18 -1.41 0.13 0.00 -0.04 0.00 0.00 63.50 62.36 2khh n PRO 592 Cb 0.36 -1.06 0.45 0.00 -0.04 0.00 0.00 33.50 33.21 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 -3.34 0.20 0.09 0.54 1.74 -1.26 -1.41 116.66 113.22 2khh n ARG 593 Ca 0.12 0.18 -0.18 0.00 -0.77 0.00 0.00 57.85 57.20 2khh n ARG 593 Cb 0.42 -1.74 -0.14 0.00 -1.02 0.00 0.00 32.46 29.97 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 0.31 0.18 5.56 5.08 -1.99 -3.34 114.58 120.38 2khh h GLU 594 Ca 0.00 -0.52 -0.26 0.00 -1.00 0.00 0.00 59.36 57.58 2khh h GLU 594 Cb 0.67 0.19 0.03 0.00 0.50 0.00 0.00 28.75 30.14 2khh h GLU 594 CO 0.00 1.21 -1.16 0.00 -1.00 0.00 0.00 179.01 178.06 2khh h ALA 595 N 0.46 -0.08 -1.84 3.43 0.00 -1.80 -3.41 119.26 116.01 2khh h ALA 595 Ca -0.21 -0.81 -0.67 0.00 0.00 0.00 0.00 54.91 53.22 2khh h ALA 595 Cb 2.02 0.18 -0.17 0.00 0.00 0.00 0.00 17.79 19.82 2khh h ALA 595 CO 0.20 0.56 0.43 0.12 0.00 0.00 0.00 179.25 180.56 2khh s PHE 596 N -2.50 2.92 -1.14 0.00 5.36 -0.50 -0.49 117.98 121.63 2khh s PHE 596 Ca -0.13 -0.93 -0.11 0.00 -0.96 0.00 0.00 56.93 54.81 2khh s PHE 596 Cb 0.03 -4.18 0.25 0.00 -0.34 0.00 0.00 43.02 38.77 2khh s PHE 596 CO 0.87 -1.47 1.21 0.14 -1.46 0.00 0.00 175.22 174.51 2khh s VAL 597 N 3.14 5.71 0.00 3.12 -7.23 -1.24 -4.51 120.40 119.39 2khh s VAL 597 Ca 0.20 -3.18 0.00 0.00 -1.81 0.00 0.00 61.98 57.19 2khh s VAL 597 Cb -0.17 -4.70 0.00 0.00 0.56 0.00 0.00 36.38 32.07 2khh s VAL 597 CO 0.04 -1.32 0.00 1.67 -0.31 0.00 0.00 175.10 175.18 2khh n GLN 598 N 3.61 -0.66 0.00 4.82 7.27 -1.26 -4.91 117.38 126.25 2khh n GLN 598 Ca 0.28 0.17 0.00 0.00 0.07 0.00 0.00 57.00 57.51 2khh n GLN 598 Cb 0.40 -3.70 0.00 0.00 2.41 0.00 0.00 30.24 29.36 2khh n GLN 598 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32