#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 2.44 -0.12 2.89 2.96 -1.26 -5.15 118.68 120.44 2khh s LEU 544 Ca 0.00 -0.87 -0.12 0.00 -0.22 0.00 0.00 54.13 52.92 2khh s LEU 544 Cb 0.00 -0.15 -0.05 0.00 0.50 0.00 0.00 46.19 46.50 2khh s LEU 544 CO 0.00 -0.36 0.28 0.21 -1.32 0.00 0.00 176.35 175.16 2khh s ASN 545 N -2.61 6.50 0.61 3.68 2.47 -1.26 -4.92 114.94 119.40 2khh s ASN 545 Ca 0.06 0.59 0.26 0.00 0.42 0.00 0.00 52.86 54.19 2khh s ASN 545 Cb 0.00 -2.17 0.95 0.00 -1.45 0.00 0.00 41.25 38.58 2khh s ASN 545 CO -0.03 0.22 1.35 -0.65 -3.72 0.00 0.00 177.10 174.27 2khh h PRO 546 N 5.88 0.00 0.09 0.43 0.11 -2.01 0.62 132.00 137.13 2khh h PRO 546 Ca -0.46 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 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 0.69 0.00 -0.04 0.28 -0.21 0.00 0.00 178.00 178.71 2khh h VAL 547 N 0.00 1.00 -0.55 3.15 2.07 -1.99 -1.17 116.25 118.76 2khh h VAL 547 Ca 0.45 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 2khh h VAL 547 Cb 2.75 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 34.25 2khh h VAL 547 CO -0.00 0.29 0.27 1.56 0.02 0.00 0.00 177.57 179.70 2khh h GLN 548 N -0.88 0.77 0.44 1.57 4.20 -0.33 -0.63 115.11 120.25 2khh h GLN 548 Ca -0.01 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 2khh h GLN 548 Cb 0.57 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2khh h GLN 548 CO 0.02 0.60 -0.21 1.25 -0.67 0.00 0.00 178.83 179.82 2khh h LEU 549 N 0.78 -0.50 -1.18 1.46 7.12 -0.67 -0.22 115.31 122.08 2khh h LEU 549 Ca 0.19 -0.01 0.17 0.00 0.13 0.00 0.00 57.88 58.37 2khh h LEU 549 Cb 0.08 0.13 -0.09 0.00 -0.53 0.00 0.00 40.66 40.25 2khh h LEU 549 CO -0.03 -0.32 0.61 -0.33 -0.13 0.00 0.00 178.44 178.24 2khh h GLU 550 N -0.64 0.68 -0.42 1.25 4.39 -0.76 0.36 114.58 119.44 2khh h GLU 550 Ca -0.06 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.61 2khh h GLU 550 Cb 0.48 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2khh h GLU 550 CO 0.10 0.45 0.27 1.25 -1.16 0.00 0.00 179.01 179.92 2khh h LEU 551 N 0.70 0.45 -0.77 1.33 5.85 -0.36 -0.93 115.31 121.58 2khh h LEU 551 Ca 0.52 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 59.33 2khh h LEU 551 Cb 0.88 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.73 2khh h LEU 551 CO -0.28 0.33 0.41 -0.07 -0.34 0.00 0.00 178.44 178.48 2khh h LEU 552 N 0.54 0.56 -0.19 2.25 3.38 0.14 0.64 115.31 122.63 2khh h LEU 552 Ca 0.16 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.20 2khh h LEU 552 Cb -0.04 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2khh h LEU 552 CO -0.05 0.31 0.08 0.78 0.09 0.00 0.00 178.44 179.65 2khh h ASN 553 N 0.68 0.11 -0.80 -0.43 2.35 -0.16 2.96 115.58 120.29 2khh h ASN 553 Ca 0.38 0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 56.10 2khh h ASN 553 Cb 0.38 -0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.72 2khh h ASN 553 CO -0.27 0.09 0.34 0.11 -1.65 0.00 0.00 177.43 176.05 2khh h LYS 554 N 0.18 1.18 -0.52 0.81 1.79 -0.14 0.61 116.57 120.48 2khh h LYS 554 Ca 0.08 -0.20 -0.11 0.00 -2.18 0.00 0.00 60.65 58.24 2khh h LYS 554 Cb 0.04 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.47 2khh h LYS 554 CO -0.07 0.94 -0.11 1.25 -1.08 0.00 0.00 179.45 180.38 2khh h LEU 555 N 1.15 0.98 -0.04 2.94 5.85 0.12 0.81 115.31 127.12 2khh h LEU 555 Ca 0.27 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2khh h LEU 555 Cb 0.19 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.95 2khh h LEU 555 CO -0.03 1.09 0.00 1.57 -0.34 0.00 0.00 178.44 180.74 2khh n HIS 556 N -4.15 0.16 0.55 1.25 -0.00 0.98 -1.24 115.22 112.78 2khh n HIS 556 Ca 0.02 0.05 0.06 0.00 0.46 0.00 0.00 57.72 58.30 2khh n HIS 556 Cb 0.40 -0.58 -0.03 0.00 -0.12 0.00 0.00 29.99 29.65 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 -1.64 0.97 -0.07 0.27 7.99 0.21 -3.38 117.00 121.35 2khh n LEU 557 Ca 0.06 -0.63 -0.14 0.00 -0.01 0.00 0.00 56.01 55.28 2khh n LEU 557 Cb 0.30 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.55 2khh n LEU 557 CO 0.24 0.21 -1.01 1.21 -1.51 0.00 0.00 177.39 176.53 2khh n GLU 558 N -0.73 0.34 -0.04 3.23 4.07 0.27 -4.69 120.64 123.09 2khh n GLU 558 Ca 0.04 0.12 0.04 0.00 -0.06 0.00 0.00 57.16 57.29 2khh n GLU 558 Cb 0.22 -1.14 -0.17 0.00 -0.06 0.00 0.00 31.44 30.30 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 -3.40 0.49 -1.57 6.31 5.66 -0.38 -4.95 114.28 116.45 2khh n THR 559 Ca -0.28 -0.62 -0.04 0.00 -3.05 0.00 0.00 64.05 60.06 2khh n THR 559 Cb 0.74 -0.16 -0.01 0.00 -1.55 0.00 0.00 70.33 69.34 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 -2.43 -1.65 -1.03 1.09 5.02 -0.90 -4.64 118.16 113.61 2khh n LYS 560 Ca -0.14 0.20 -0.20 0.00 -2.02 0.00 0.00 58.31 56.14 2khh n LYS 560 Cb 0.78 -4.42 -0.11 0.00 -0.02 0.00 0.00 35.03 31.26 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 -1.69 6.03 -1.71 -0.35 -0.00 -1.26 -3.56 117.00 114.47 2khh n LEU 561 Ca -0.04 -3.39 0.00 0.00 -0.00 0.00 0.00 56.01 52.58 2khh n LEU 561 Cb 0.26 -1.38 0.00 0.00 -0.00 0.00 0.00 43.42 42.30 2khh n LEU 561 CO 0.05 1.65 -0.41 -3.20 -0.00 0.00 0.00 177.39 175.48 2khh n ASN 562 N 2.95 -8.21 0.00 1.45 5.15 0.17 -3.25 115.26 113.52 2khh n ASN 562 Ca 0.52 1.17 0.00 0.00 -0.60 0.00 0.00 54.58 55.66 2khh n ASN 562 Cb 0.62 -4.32 0.00 0.00 -0.53 0.00 0.00 39.78 35.55 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 0.94 -0.05 -0.17 5.20 0.00 -1.26 0.27 120.51 125.44 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 0.28 -0.02 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.74 -0.15 -0.03 0.00 1.02 -1.26 0.30 120.64 118.78 2khh n GLU 564 Ca 0.00 0.64 -0.12 0.00 -0.02 0.00 0.00 57.16 57.66 2khh n GLU 564 Cb 0.00 -0.94 -0.07 0.00 -0.02 0.00 0.00 31.44 30.41 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 0.19 -0.87 -0.32 -1.99 -1.54 -1.48 116.97 110.96 2khh h TYR 565 Ca 0.10 -0.03 0.22 0.00 2.00 0.00 0.00 58.73 61.02 2khh h TYR 565 Cb 0.20 -0.05 -0.13 0.00 2.00 0.00 0.00 36.73 38.75 2khh h TYR 565 CO -0.41 0.39 0.31 0.00 -0.00 0.00 0.00 178.16 178.45 2khh h THR 566 N -0.06 0.42 -0.46 -2.88 1.03 2.07 1.65 112.91 114.69 2khh h THR 566 Ca 0.03 -0.11 0.01 0.00 -0.01 0.00 0.00 66.41 66.33 2khh h THR 566 Cb 0.30 0.08 -0.03 0.00 -1.07 0.00 0.00 68.15 67.44 2khh h THR 566 CO 0.00 0.06 0.30 0.15 -0.01 0.00 0.00 175.52 176.02 2khh h PHE 567 N 0.31 0.57 -1.17 0.00 3.04 0.13 0.51 116.94 120.33 2khh h PHE 567 Ca 0.54 0.01 0.33 0.00 3.98 0.00 0.00 57.97 62.83 2khh h PHE 567 Cb 1.03 -0.19 -0.07 0.00 2.56 0.00 0.00 35.95 39.29 2khh h PHE 567 CO -0.20 0.35 0.81 1.98 -2.02 0.00 0.00 178.31 179.23 2khh h MET 568 N 0.61 0.13 0.03 1.11 4.05 0.34 1.77 114.93 122.97 2khh h MET 568 Ca 0.17 -0.01 -0.23 0.00 -0.28 0.00 0.00 59.70 59.35 2khh h MET 568 Cb -0.05 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.70 2khh h MET 568 CO -0.05 0.08 -1.12 1.25 0.23 0.00 0.00 176.91 177.31 2khh h LEU 569 N 0.13 0.11 -1.89 3.39 6.46 0.20 0.17 115.31 123.89 2khh h LEU 569 Ca 0.60 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 58.22 2khh h LEU 569 Cb 2.08 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 41.97 2khh h LEU 569 CO -0.12 1.10 -0.06 0.00 -0.62 0.00 0.00 178.44 178.74 2khh h ALA 570 N 0.88 1.08 0.00 1.25 0.00 0.59 0.35 119.26 123.42 2khh h ALA 570 Ca -0.06 -0.05 -0.41 0.00 0.00 0.00 0.00 54.91 54.38 2khh h ALA 570 Cb 1.84 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.55 2khh h ALA 570 CO 0.15 0.07 -2.48 -0.85 0.00 0.00 0.00 179.25 176.14 2khh n GLU 571 N -3.28 0.64 0.06 0.00 0.28 0.19 -0.63 120.64 117.90 2khh n GLU 571 Ca -0.01 0.19 0.09 0.00 -0.16 0.00 0.00 57.16 57.27 2khh n GLU 571 Cb 0.25 -1.52 0.38 0.00 1.43 0.00 0.00 31.44 31.98 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 -3.55 0.09 -0.66 3.44 6.02 0.60 -1.63 117.38 121.70 2khh n GLN 572 Ca -0.48 0.35 0.06 0.00 -0.01 0.00 0.00 57.00 56.91 2khh n GLN 572 Cb 0.96 -1.68 0.30 0.00 1.02 0.00 0.00 30.24 30.85 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 -1.84 4.39 -1.22 1.08 3.41 0.12 -4.92 113.62 114.63 2khh n SER 573 Ca 0.03 -3.08 -0.12 0.00 -0.26 0.00 0.00 58.87 55.44 2khh n SER 573 Cb 0.18 -0.61 -0.05 0.00 -0.26 0.00 0.00 64.21 63.47 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 -0.22 -3.46 -3.30 4.04 0.23 -0.65 -1.33 115.26 110.57 2khh n ASN 574 Ca 0.26 0.29 -0.24 0.00 -0.53 0.00 0.00 54.58 54.36 2khh n ASN 574 Cb 1.05 -3.12 0.04 0.00 -2.08 0.00 0.00 39.78 35.67 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 -1.79 -2.21 0.01 -2.53 7.02 0.20 -4.92 117.44 113.22 2khh n TRP 575 Ca -0.12 0.68 -0.01 0.00 -1.02 0.00 0.00 57.50 57.03 2khh n TRP 575 Cb 0.41 -4.38 -0.01 0.00 -2.42 0.00 0.00 31.31 24.91 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 -1.73 -0.07 0.00 -0.99 -0.73 -1.47 -3.50 115.58 107.08 2khh h ASN 576 Ca -0.53 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.64 2khh h ASN 576 Cb 1.36 0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.97 2khh h ASN 576 CO 0.57 0.14 0.00 0.00 -0.37 0.00 0.00 177.43 177.77 2khh n TYR 577 N -3.24 0.00 -0.35 0.67 9.36 -1.26 -4.84 117.16 117.50 2khh n TYR 577 Ca -0.01 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.28 2khh n TYR 577 Cb 0.03 0.00 0.16 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 0.00 -0.38 2.98 4.22 -1.96 2.25 114.58 121.69 2khh h GLU 578 Ca 0.00 -0.00 -0.14 0.00 0.08 0.00 0.00 59.36 59.30 2khh h GLU 578 Cb 0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2khh h GLU 578 CO 0.00 0.00 -0.32 -0.24 -2.18 0.00 0.00 179.01 176.27 2khh h VAL 579 N 0.00 1.28 0.02 0.32 3.04 -1.90 -1.63 116.25 117.38 2khh h VAL 579 Ca 0.49 -1.48 0.00 0.00 -1.01 0.00 0.00 66.70 64.70 2khh h VAL 579 Cb 0.79 1.33 -0.01 0.00 -2.01 0.00 0.00 31.29 31.39 2khh h VAL 579 CO -0.99 0.49 -0.07 0.00 -1.01 0.00 0.00 177.57 175.99 2khh h ALA 580 N 0.93 -0.62 -0.78 3.17 0.00 0.32 5.16 119.26 127.44 2khh h ALA 580 Ca 0.07 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.04 2khh h ALA 580 Cb 0.88 0.51 -0.09 0.00 0.00 0.00 0.00 17.79 19.08 2khh h ALA 580 CO 0.08 -0.64 -0.46 -0.89 0.00 0.00 0.00 179.25 177.34 2khh n ILE 581 N -2.87 -0.53 -0.17 0.00 2.08 0.14 0.25 119.36 118.26 2khh n ILE 581 Ca -0.01 2.09 -0.02 0.00 0.56 0.00 0.00 62.75 65.37 2khh n ILE 581 Cb 0.06 -2.60 0.05 0.00 -0.75 0.00 0.00 39.64 36.39 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 0.01 -0.68 0.38 1.57 -0.59 -0.74 116.57 116.52 2khh h LYS 582 Ca 0.12 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.97 2khh h LYS 582 Cb 0.32 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.54 2khh h LYS 582 CO -0.73 0.01 -0.40 0.41 -0.57 0.00 0.00 179.45 178.16 2khh n GLY 583 N -1.37 -2.63 0.21 3.86 0.00 1.68 0.31 105.19 107.24 2khh n GLY 583 Ca 0.05 0.97 -0.07 0.00 0.00 0.00 0.00 46.02 46.98 2khh n GLY 583 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2khh h PHE 584 N 0.00 -0.80 0.00 1.61 3.57 0.61 0.93 116.94 122.86 2khh h PHE 584 Ca 0.11 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2khh h PHE 584 Cb 0.28 0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.39 2khh h PHE 584 CO -0.96 -0.23 0.00 0.00 -2.23 0.00 0.00 178.31 174.89 2khh n GLN 585 N -3.95 0.90 0.00 1.11 10.64 0.51 -3.91 117.38 122.68 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 0.16 -1.05 0.00 0.00 -0.86 0.00 0.00 30.24 28.49 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 0.74 0.00 0.07 2.61 2.88 0.90 -4.86 113.62 115.95 2khh n SER 586 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 2khh n SER 586 Cb 0.45 -0.10 -0.04 0.00 -0.75 0.00 0.00 64.21 63.77 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 -0.61 -5.65 -3.46 0.02 -1.62 -3.46 113.55 98.76 2khh h SER 587 Ca 0.00 0.06 -0.28 0.00 -0.84 0.00 0.00 61.79 60.73 2khh h SER 587 Cb 0.00 0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2khh h SER 587 CO 0.00 -0.24 -0.69 0.80 -1.14 0.00 0.00 176.83 175.56 2khh n MET 588 N -3.63 -0.99 0.00 3.45 0.00 -1.25 -4.69 117.12 110.01 2khh n MET 588 Ca -0.04 0.56 0.00 0.00 0.00 0.00 0.00 57.70 58.22 2khh n MET 588 Cb 0.17 -1.27 0.00 0.00 0.00 0.00 0.00 33.22 32.12 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 -0.86 0.00 0.00 6.12 5.15 -1.26 -4.97 115.26 119.44 2khh n ASN 589 Ca -0.15 -0.13 0.00 0.00 -0.60 0.00 0.00 54.58 53.69 2khh n ASN 589 Cb 0.41 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.66 2khh n ASN 589 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2khh n GLY 590 N 0.00 0.00 3.60 8.20 0.00 -1.26 -5.09 105.19 110.63 2khh n GLY 590 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.35 0.85 -2.12 -0.61 -5.35 -1.26 -4.95 119.36 105.57 2khh n ILE 591 Ca 0.00 -0.21 -0.28 0.00 -0.27 0.00 0.00 62.75 61.99 2khh n ILE 591 Cb 0.00 -0.97 0.17 0.00 -1.74 0.00 0.00 39.64 37.09 2khh n ILE 591 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 2khh s PRO 592 N -0.32 0.88 0.46 6.28 0.04 -1.26 -4.92 135.00 136.15 2khh s PRO 592 Ca 0.73 -0.63 0.25 0.00 0.04 0.00 0.00 61.00 61.39 2khh s PRO 592 Cb -0.82 -1.98 0.58 0.00 0.04 0.00 0.00 34.50 32.33 2khh s PRO 592 CO 0.51 -2.18 1.70 0.00 0.04 0.00 0.00 177.00 177.07 2khh h ARG 593 N -1.36 0.00 -0.21 4.56 2.47 -1.92 -1.61 114.38 116.31 2khh h ARG 593 Ca -0.42 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.18 2khh h ARG 593 Cb 1.24 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.56 2khh h ARG 593 CO 0.38 0.03 -0.35 0.93 0.56 0.00 0.00 179.97 181.52 2khh h GLU 594 N 0.00 0.61 -0.17 0.04 5.08 -1.99 -3.16 114.58 114.99 2khh h GLU 594 Ca -0.00 -0.37 -0.09 0.00 -1.00 0.00 0.00 59.36 57.89 2khh h GLU 594 Cb 0.90 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 2khh h GLU 594 CO 0.00 0.98 -0.26 0.00 -1.00 0.00 0.00 179.01 178.74 2khh h ALA 595 N 0.62 0.26 -0.85 3.43 0.00 -1.79 -3.38 119.26 117.55 2khh h ALA 595 Ca 0.02 -0.39 -0.41 0.00 0.00 0.00 0.00 54.91 54.13 2khh h ALA 595 Cb 0.93 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 2khh h ALA 595 CO 0.08 0.25 1.04 -0.06 0.00 0.00 0.00 179.25 180.56 2khh s PHE 596 N -4.14 2.09 -0.02 0.00 0.08 -0.61 0.46 117.98 115.84 2khh s PHE 596 Ca -0.13 0.06 0.00 0.00 0.12 0.00 0.00 56.93 56.98 2khh s PHE 596 Cb 0.06 -4.29 0.02 0.00 -0.57 0.00 0.00 43.02 38.24 2khh s PHE 596 CO 0.79 -1.80 1.65 1.33 -0.10 0.00 0.00 175.22 177.09 2khh n VAL 597 N 7.50 1.70 -1.58 -0.44 0.24 -1.23 -4.56 118.33 119.95 2khh n VAL 597 Ca 0.38 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2khh n VAL 597 Cb 0.48 -1.30 0.00 0.00 -1.47 0.00 0.00 33.84 31.55 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 1.06 0.00 0.00 7.34 7.27 -1.26 -5.00 117.38 126.79 2khh n GLN 598 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.09 2khh n GLN 598 Cb 0.52 -1.61 0.00 0.00 2.41 0.00 0.00 30.24 31.56 2khh n GLN 598 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32