#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ud0 n GLY 538 N 0.00 -0.06 0.00 5.14 0.00 -1.26 -4.84 105.19 104.17 1ud0 n GLY 538 Ca 0.00 0.20 0.08 0.00 0.00 0.00 0.00 46.02 46.29 1ud0 n GLY 538 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ud0 n SER 539 N 0.00 0.00 -1.26 1.61 3.41 -1.26 -1.82 113.62 114.30 1ud0 n SER 539 Ca 0.00 0.24 0.06 0.00 -0.26 0.00 0.00 58.87 58.91 1ud0 n SER 539 Cb 0.00 -0.37 0.25 0.00 -0.26 0.00 0.00 64.21 63.83 1ud0 n SER 539 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1ud0 n HIS 540 N -1.37 1.15 0.00 7.33 -0.00 -1.26 -2.82 115.22 118.25 1ud0 n HIS 540 Ca 0.06 -0.43 0.00 0.00 -0.00 0.00 0.00 57.72 57.35 1ud0 n HIS 540 Cb 0.15 -0.25 0.00 0.00 -0.00 0.00 0.00 29.99 29.88 1ud0 n HIS 540 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1ud0 n LEU 542 N 0.58 0.00 -0.10 0.27 7.94 -0.76 0.18 117.00 125.11 1ud0 n LEU 542 Ca 0.18 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 55.00 1ud0 n LEU 542 Cb 0.73 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.66 1ud0 n LEU 542 CO 0.18 0.00 0.64 -0.08 -1.11 0.00 0.00 177.39 177.03 1ud0 h GLU 543 N 0.00 -0.25 -0.35 1.96 4.81 -1.75 -1.41 114.58 117.60 1ud0 h GLU 543 Ca 0.00 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1ud0 h GLU 543 Cb 0.00 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.35 1ud0 h GLU 543 CO 0.00 -0.17 -0.43 1.03 -0.73 0.00 0.00 179.01 178.71 1ud0 h SER 544 N -0.26 -1.42 -0.35 1.04 0.87 0.16 -0.33 113.55 113.26 1ud0 h SER 544 Ca 0.16 0.21 0.04 0.00 -1.23 0.00 0.00 61.79 60.97 1ud0 h SER 544 Cb 0.53 0.61 -0.06 0.00 -0.44 0.00 0.00 62.40 63.04 1ud0 h SER 544 CO -0.51 -0.38 -0.41 0.22 -0.53 0.00 0.00 176.83 175.21 1ud0 h TYR 545 N -0.37 -1.27 -0.83 2.24 5.03 -1.58 -0.37 116.97 119.82 1ud0 h TYR 545 Ca 0.12 0.07 0.18 0.00 2.58 0.00 0.00 58.73 61.67 1ud0 h TYR 545 Cb 0.59 0.60 -0.16 0.00 1.55 0.00 0.00 36.73 39.32 1ud0 h TYR 545 CO -0.60 -0.35 -0.16 0.00 -1.32 0.00 0.00 178.16 175.74 1ud0 h ALA 546 N -0.32 0.63 -0.93 1.82 0.00 -0.30 0.65 119.26 120.82 1ud0 h ALA 546 Ca 0.06 0.31 0.07 0.00 0.00 0.00 0.00 54.91 55.36 1ud0 h ALA 546 Cb 0.42 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 1ud0 h ALA 546 CO -0.47 -0.42 0.58 0.74 0.00 0.00 0.00 179.25 179.68 1ud0 h PHE 547 N 0.02 1.07 0.00 0.00 0.04 0.23 -3.08 116.94 115.22 1ud0 h PHE 547 Ca 0.42 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.22 1ud0 h PHE 547 Cb 0.68 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1ud0 h PHE 547 CO -0.61 0.52 0.00 0.09 -0.60 0.00 0.00 178.31 177.71 1ud0 n ASN 548 N -4.59 2.75 0.00 2.17 3.02 0.23 -1.32 115.26 117.51 1ud0 n ASN 548 Ca 0.14 -1.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.07 1ud0 n ASN 548 Cb 0.21 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 1ud0 n ASN 548 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ud0 n LYS 550 N 1.11 0.00 0.14 3.52 5.02 -1.16 -1.41 118.16 125.37 1ud0 n LYS 550 Ca 0.00 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.45 1ud0 n LYS 550 Cb 0.34 0.00 0.71 0.00 -0.02 0.00 0.00 35.03 36.06 1ud0 n LYS 550 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ud0 h ALA 551 N 0.00 2.15 -0.43 7.82 0.00 -1.46 -2.23 119.26 125.11 1ud0 h ALA 551 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ud0 h ALA 551 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ud0 h ALA 551 CO 0.00 -0.35 0.00 2.41 0.00 0.00 0.00 179.25 181.31 1ud0 n THR 552 N -4.27 0.00 0.32 0.00 -1.04 -0.50 -3.70 114.28 105.08 1ud0 n THR 552 Ca 0.03 0.43 0.00 0.00 -2.04 0.00 0.00 64.05 62.47 1ud0 n THR 552 Cb 0.36 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.54 1ud0 n THR 552 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 1ud0 h VAL 553 N 0.00 0.00 -0.00 12.58 -1.51 -1.85 2.14 116.25 127.60 1ud0 h VAL 553 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1ud0 h VAL 553 Cb 0.00 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 29.16 1ud0 h VAL 553 CO 0.00 0.00 -0.85 -0.62 -1.23 0.00 0.00 177.57 174.87 1ud0 n GLU 554 N -2.45 0.09 -2.05 5.19 1.02 -0.84 -4.94 120.64 116.66 1ud0 n GLU 554 Ca -0.00 -0.07 -0.42 0.00 -0.02 0.00 0.00 57.16 56.65 1ud0 n GLU 554 Cb 0.98 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.87 1ud0 n GLU 554 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ud0 s ASP 555 N -2.96 6.70 0.42 1.62 2.15 0.72 -4.84 116.67 120.48 1ud0 s ASP 555 Ca 0.10 2.54 0.17 0.00 0.43 0.00 0.00 52.55 55.78 1ud0 s ASP 555 Cb 0.17 -2.60 0.91 0.00 -0.30 0.00 0.00 42.92 41.09 1ud0 s ASP 555 CO 0.81 -0.71 1.43 -0.33 -0.17 0.00 0.00 175.17 176.20 1ud0 h GLU 556 N 6.11 0.00 -0.67 4.34 4.39 -1.92 -0.83 114.58 126.00 1ud0 h GLU 556 Ca -0.44 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.31 1ud0 h GLU 556 Cb 1.21 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.82 1ud0 h GLU 556 CO 0.84 0.00 0.44 -0.22 -1.16 0.00 0.00 179.01 178.92 1ud0 h LYS 557 N 0.00 0.73 -0.80 2.33 1.63 -1.92 -2.09 116.57 116.45 1ud0 h LYS 557 Ca 0.00 -0.04 -0.44 0.00 -0.85 0.00 0.00 60.65 59.32 1ud0 h LYS 557 Cb 0.66 -0.17 -0.25 0.00 -0.60 0.00 0.00 32.23 31.87 1ud0 h LYS 557 CO 0.00 0.48 0.42 1.28 -3.45 0.00 0.00 179.45 178.19 1ud0 n LEU 558 N -4.47 6.03 -0.30 5.20 4.32 -0.32 -4.61 117.00 122.86 1ud0 n LEU 558 Ca 0.09 -3.76 0.30 0.00 -0.02 0.00 0.00 56.01 52.61 1ud0 n LEU 558 Cb 0.17 -0.78 0.54 0.00 -1.62 0.00 0.00 43.42 41.73 1ud0 n LEU 558 CO 0.34 1.19 0.98 0.00 -1.22 0.00 0.00 177.39 178.68 1ud0 n GLN 559 N -1.11 -0.05 0.00 3.23 6.02 -0.79 -2.47 117.38 122.21 1ud0 n GLN 559 Ca 0.52 1.25 0.00 0.00 -0.01 0.00 0.00 57.00 58.76 1ud0 n GLN 559 Cb 1.37 -2.26 0.00 0.00 1.02 0.00 0.00 30.24 30.37 1ud0 n GLN 559 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ud0 n GLY 560 N -1.26 1.00 0.16 1.08 0.00 -1.26 -4.85 105.19 100.06 1ud0 n GLY 560 Ca 0.35 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.39 1ud0 n GLY 560 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ud0 h LYS 561 N 0.00 0.00 -5.78 1.61 3.11 -1.74 -3.44 116.57 110.34 1ud0 h LYS 561 Ca 0.00 0.00 -0.67 0.00 -2.81 0.00 0.00 60.65 57.17 1ud0 h LYS 561 Cb 0.34 0.00 -0.12 0.00 -1.00 0.00 0.00 32.23 31.45 1ud0 h LYS 561 CO 0.00 0.52 -0.57 -1.50 -2.81 0.00 0.00 179.45 175.09 1ud0 s ILE 562 N -3.54 4.77 -0.26 2.00 2.07 -1.19 -5.03 121.20 120.02 1ud0 s ILE 562 Ca -0.00 -0.07 -0.38 0.00 -1.41 0.00 0.00 60.65 58.79 1ud0 s ILE 562 Cb 0.12 -3.05 -0.14 0.00 0.13 0.00 0.00 42.46 39.52 1ud0 s ILE 562 CO 0.73 0.59 1.91 -3.20 -1.91 0.00 0.00 174.94 173.06 1ud0 n ASN 563 N 2.25 2.53 0.16 4.50 5.15 -1.26 -4.77 115.26 123.81 1ud0 n ASN 563 Ca -0.19 0.86 0.18 0.00 -0.60 0.00 0.00 54.58 54.83 1ud0 n ASN 563 Cb 0.54 -1.22 0.79 0.00 -0.53 0.00 0.00 39.78 39.36 1ud0 n ASN 563 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 1ud0 h ASP 564 N 9.15 0.00 0.49 1.20 3.58 -1.94 0.47 116.42 129.38 1ud0 h ASP 564 Ca -0.41 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 56.86 1ud0 h ASP 564 Cb 1.31 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.35 1ud0 h ASP 564 CO 0.98 0.00 -0.81 -0.08 -2.88 0.00 0.00 179.24 176.45 1ud0 h GLU 565 N 0.00 0.23 -0.21 0.28 4.22 -2.03 -3.29 114.58 113.78 1ud0 h GLU 565 Ca 0.12 -0.23 -0.16 0.00 0.08 0.00 0.00 59.36 59.18 1ud0 h GLU 565 Cb 0.66 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1ud0 h GLU 565 CO -0.00 0.92 -0.50 -0.44 -2.18 0.00 0.00 179.01 176.81 1ud0 h ASP 566 N 0.14 0.81 -1.00 1.04 3.32 -0.43 -3.19 116.42 117.11 1ud0 h ASP 566 Ca -0.04 -0.56 0.28 0.00 0.02 0.00 0.00 57.03 56.73 1ud0 h ASP 566 Cb 1.40 -0.23 -0.19 0.00 0.22 0.00 0.00 39.33 40.54 1ud0 h ASP 566 CO 0.13 1.23 0.03 0.50 -1.72 0.00 0.00 179.24 179.40 1ud0 h LYS 567 N 0.43 0.00 0.00 3.56 3.64 -1.39 -0.44 116.57 122.36 1ud0 h LYS 567 Ca -0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ud0 h LYS 567 Cb 1.12 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1ud0 h LYS 567 CO 0.11 0.00 0.00 0.94 -2.27 0.00 0.00 179.45 178.23 1ud0 n GLN 568 N -5.50 0.00 -0.15 1.90 -0.06 -1.20 -2.12 117.38 110.26 1ud0 n GLN 568 Ca 0.24 0.36 0.14 0.00 -2.00 0.00 0.00 57.00 55.74 1ud0 n GLN 568 Cb 0.77 -1.16 0.26 0.00 -4.06 0.00 0.00 30.24 26.05 1ud0 n GLN 568 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1ud0 n LYS 569 N -1.24 -0.03 0.00 3.69 5.02 -0.21 -1.98 118.16 123.41 1ud0 n LYS 569 Ca 0.00 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1ud0 n LYS 569 Cb 0.00 -1.12 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1ud0 n LYS 569 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1ud0 n ILE 570 N -4.07 0.00 0.00 -0.18 -0.00 -1.00 -2.84 119.36 111.28 1ud0 n ILE 570 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.92 1ud0 n ILE 570 Cb 0.57 -0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.21 1ud0 n ILE 570 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1ud0 n LEU 571 N -0.36 0.00 0.00 1.39 4.77 -0.90 0.16 117.00 122.06 1ud0 n LEU 571 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ud0 n LEU 571 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ud0 n LEU 571 CO 0.00 0.00 0.37 0.47 -1.33 0.00 0.00 177.39 176.90 1ud0 n ASP 572 N -1.53 0.00 -0.38 -1.43 8.00 -0.84 -0.52 116.55 119.85 1ud0 n ASP 572 Ca 0.00 0.74 0.35 0.00 0.71 0.00 0.00 54.79 56.59 1ud0 n ASP 572 Cb 0.00 -0.24 0.62 0.00 -0.02 0.00 0.00 41.12 41.48 1ud0 n ASP 572 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1ud0 h LYS 573 N 0.00 0.02 -0.16 -1.24 1.63 0.17 0.74 116.57 117.72 1ud0 h LYS 573 Ca 0.00 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1ud0 h LYS 573 Cb 0.00 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1ud0 h LYS 573 CO 0.00 0.01 0.03 0.00 -3.45 0.00 0.00 179.45 176.04 1ud0 h ASN 575 N 0.05 0.91 -0.58 0.00 2.35 0.30 0.15 115.58 118.77 1ud0 h ASN 575 Ca 0.05 0.01 0.11 0.00 -0.55 0.00 0.00 56.30 55.91 1ud0 h ASN 575 Cb 0.28 -0.19 -0.11 0.00 0.05 0.00 0.00 38.32 38.35 1ud0 h ASN 575 CO 0.00 0.60 -0.29 -0.08 -1.65 0.00 0.00 177.43 176.01 1ud0 h GLU 576 N 1.06 -0.13 -0.45 0.81 4.81 -0.71 0.62 114.58 120.59 1ud0 h GLU 576 Ca 0.38 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.50 1ud0 h GLU 576 Cb 0.11 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1ud0 h GLU 576 CO -0.15 -0.09 -0.18 0.82 -0.73 0.00 0.00 179.01 178.68 1ud0 h ILE 577 N -0.14 1.27 0.02 2.32 5.03 -0.95 0.17 117.51 125.24 1ud0 h ILE 577 Ca 0.25 -1.33 0.01 0.00 -0.12 0.00 0.00 64.86 63.66 1ud0 h ILE 577 Cb 0.53 1.17 -0.02 0.00 -3.03 0.00 0.00 36.82 35.48 1ud0 h ILE 577 CO -0.66 0.46 -0.19 0.40 -0.68 0.00 0.00 178.15 177.48 1ud0 h ILE 578 N 0.77 0.00 -0.51 -0.67 1.08 0.20 -0.84 117.51 117.54 1ud0 h ILE 578 Ca 0.11 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.68 1ud0 h ILE 578 Cb 0.75 0.00 -0.10 0.00 -3.07 0.00 0.00 36.82 34.40 1ud0 h ILE 578 CO 0.06 0.00 -0.13 -1.28 -0.69 0.00 0.00 178.15 176.11 1ud0 h SER 579 N -0.25 -0.50 -0.10 1.72 0.87 0.13 0.39 113.55 115.82 1ud0 h SER 579 Ca 0.00 0.16 0.03 0.00 -1.23 0.00 0.00 61.79 60.74 1ud0 h SER 579 Cb 0.26 0.32 -0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1ud0 h SER 579 CO -0.11 -0.17 0.43 -0.25 -0.53 0.00 0.00 176.83 176.19 1ud0 h TRP 580 N -0.01 0.00 0.00 2.24 7.01 0.11 0.15 115.95 125.44 1ud0 h TRP 580 Ca 0.24 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.24 1ud0 h TRP 580 Cb 0.38 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.44 1ud0 h TRP 580 CO -0.44 0.00 -0.29 -0.07 -2.79 0.00 0.00 178.44 174.85 1ud0 h LEU 581 N 0.00 0.00 -0.98 0.65 3.38 0.47 -2.76 115.31 116.08 1ud0 h LEU 581 Ca 0.05 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.34 1ud0 h LEU 581 Cb 0.91 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.48 1ud0 h LEU 581 CO -0.00 0.62 0.29 -0.78 0.09 0.00 0.00 178.44 178.66 1ud0 h ASP 582 N -0.95 -0.04 -0.06 -0.43 1.82 -0.94 1.03 116.42 116.84 1ud0 h ASP 582 Ca 0.00 0.25 -0.04 0.00 -0.39 0.00 0.00 57.03 56.86 1ud0 h ASP 582 Cb 0.29 0.35 0.00 0.00 0.68 0.00 0.00 39.33 40.65 1ud0 h ASP 582 CO 0.00 -0.34 -0.11 0.11 -1.61 0.00 0.00 179.24 177.29 1ud0 h LYS 583 N 0.06 0.18 -0.43 0.28 6.56 -0.90 -2.45 116.57 119.87 1ud0 h LYS 583 Ca 0.69 -0.12 -0.10 0.00 -1.06 0.00 0.00 60.65 60.07 1ud0 h LYS 583 Cb 1.62 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 33.27 1ud0 h LYS 583 CO -0.80 0.69 -0.13 -0.97 -2.06 0.00 0.00 179.45 176.18 1ud0 h ASN 584 N -0.31 0.77 -0.69 0.86 -0.73 -0.27 -0.41 115.58 114.81 1ud0 h ASN 584 Ca 0.00 -0.24 -0.08 0.00 1.87 0.00 0.00 56.30 57.86 1ud0 h ASN 584 Cb 0.69 -0.21 -0.03 0.00 0.27 0.00 0.00 38.32 39.04 1ud0 h ASN 584 CO 0.03 0.92 0.13 -0.61 -0.37 0.00 0.00 177.43 177.52 1ud0 h GLN 585 N 0.70 1.12 -0.28 6.67 4.15 0.85 -0.52 115.11 127.81 1ud0 h GLN 585 Ca 0.12 -0.29 -0.16 0.00 0.77 0.00 0.00 58.65 59.09 1ud0 h GLN 585 Cb 0.61 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 1ud0 h GLN 585 CO 0.04 1.01 -0.47 0.00 -1.93 0.00 0.00 178.83 177.49 1ud0 h THR 586 N 1.05 1.29 -0.26 2.39 1.03 -1.20 -2.72 112.91 114.50 1ud0 h THR 586 Ca 0.21 -1.66 -0.06 0.00 -0.01 0.00 0.00 66.41 64.89 1ud0 h THR 586 Cb 0.42 1.57 -0.02 0.00 -1.07 0.00 0.00 68.15 69.06 1ud0 h THR 586 CO 0.01 0.53 -0.10 0.00 -0.01 0.00 0.00 175.52 175.95 1ud0 h ALA 587 N 0.88 1.34 0.53 0.00 0.00 -0.78 -2.95 119.26 118.29 1ud0 h ALA 587 Ca 0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1ud0 h ALA 587 Cb 1.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1ud0 h ALA 587 CO 0.10 0.44 -0.41 0.93 0.00 0.00 0.00 179.25 180.31 1ud0 h GLU 588 N 0.40 -0.89 -1.31 0.00 4.39 -0.80 -2.51 114.58 113.86 1ud0 h GLU 588 Ca 0.08 0.06 0.38 0.00 0.34 0.00 0.00 59.36 60.22 1ud0 h GLU 588 Cb 0.43 0.20 -0.05 0.00 -0.10 0.00 0.00 28.75 29.23 1ud0 h GLU 588 CO 0.02 -0.59 1.21 0.87 -1.16 0.00 0.00 179.01 179.36 1ud0 h LYS 589 N -0.92 0.00 0.02 2.33 1.57 -1.31 0.13 116.57 118.38 1ud0 h LYS 589 Ca -0.06 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 1ud0 h LYS 589 Cb 0.78 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 1ud0 h LYS 589 CO 0.00 0.00 -0.34 0.93 -0.57 0.00 0.00 179.45 179.47 1ud0 h GLU 590 N 0.00 0.04 0.00 3.15 5.08 -1.51 -0.88 114.58 120.46 1ud0 h GLU 590 Ca 0.62 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.91 1ud0 h GLU 590 Cb 3.04 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 32.32 1ud0 h GLU 590 CO -0.01 1.03 -0.00 0.93 -1.00 0.00 0.00 179.01 179.97 1ud0 h GLU 591 N -0.90 0.00 0.28 2.33 5.08 -0.70 1.26 114.58 121.93 1ud0 h GLU 591 Ca -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1ud0 h GLU 591 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1ud0 h GLU 591 CO -0.01 0.00 -0.13 0.74 -1.00 0.00 0.00 179.01 178.60 1ud0 h PHE 592 N 0.00 -0.35 0.00 4.33 0.04 -1.19 -2.56 116.94 117.21 1ud0 h PHE 592 Ca -0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1ud0 h PHE 592 Cb 0.01 0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1ud0 h PHE 592 CO 0.00 -0.17 0.00 0.39 -0.60 0.00 0.00 178.31 177.93 1ud0 n GLU 593 N -5.02 0.11 -0.02 1.51 1.02 -0.33 -1.03 120.64 116.88 1ud0 n GLU 593 Ca -0.05 0.22 0.03 0.00 -0.02 0.00 0.00 57.16 57.33 1ud0 n GLU 593 Cb 0.17 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.95 1ud0 n GLU 593 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1ud0 n HIS 594 N -1.30 0.26 0.01 -0.32 -0.00 0.42 -3.81 115.22 110.48 1ud0 n HIS 594 Ca 0.04 0.08 -0.16 0.00 0.46 0.00 0.00 57.72 58.14 1ud0 n HIS 594 Cb 0.07 -0.80 -0.14 0.00 -0.12 0.00 0.00 29.99 29.00 1ud0 n HIS 594 CO 0.00 0.00 0.00 1.96 0.46 0.00 0.00 176.34 178.76 1ud0 h GLN 595 N 0.00 0.17 -0.64 1.57 1.08 -0.80 -3.11 115.11 113.38 1ud0 h GLN 595 Ca -0.19 -0.29 0.03 0.00 -1.45 0.00 0.00 58.65 56.75 1ud0 h GLN 595 Cb 1.48 0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 28.98 1ud0 h GLN 595 CO 0.02 0.94 0.43 0.37 -0.95 0.00 0.00 178.83 179.64 1ud0 h GLN 596 N 0.05 0.75 0.16 1.46 5.75 -1.26 -0.72 115.11 121.30 1ud0 h GLN 596 Ca -0.34 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.11 1ud0 h GLN 596 Cb 2.03 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 30.41 1ud0 h GLN 596 CO 0.10 0.49 -0.08 0.87 -2.65 0.00 0.00 178.83 177.56 1ud0 h LYS 597 N 0.77 -0.21 0.00 1.69 1.57 -1.70 -2.97 116.57 115.72 1ud0 h LYS 597 Ca 0.26 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1ud0 h LYS 597 Cb 0.07 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1ud0 h LYS 597 CO -0.07 -0.13 0.00 0.39 -0.57 0.00 0.00 179.45 179.07 1ud0 n GLU 598 N -4.92 0.00 0.00 3.15 -0.58 -1.13 0.93 120.64 118.08 1ud0 n GLU 598 Ca -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1ud0 n GLU 598 Cb 0.09 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 1ud0 n GLU 598 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1ud0 n LEU 599 N -0.61 0.00 0.03 -4.62 -0.00 -0.29 -4.48 117.00 107.04 1ud0 n LEU 599 Ca 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 56.01 56.22 1ud0 n LEU 599 Cb 0.00 -0.35 0.73 0.00 -0.00 0.00 0.00 43.42 43.80 1ud0 n LEU 599 CO 0.00 -0.48 1.19 1.05 -0.00 0.00 0.00 177.39 179.16 1ud0 h GLU 600 N 0.00 0.00 0.00 1.96 4.11 -1.30 1.13 114.58 120.47 1ud0 h GLU 600 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ud0 h GLU 600 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1ud0 h GLU 600 CO 0.00 0.00 0.01 1.17 0.07 0.00 0.00 179.01 180.26 1ud0 n LYS 601 N -3.98 0.00 -0.02 1.06 4.81 0.26 -0.27 118.16 120.03 1ud0 n LYS 601 Ca 0.09 0.19 -0.02 0.00 -0.87 0.00 0.00 58.31 57.71 1ud0 n LYS 601 Cb 0.66 -1.51 -0.02 0.00 0.02 0.00 0.00 35.03 34.18 1ud0 n LYS 601 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1ud0 n VAL 602 N -1.18 0.21 -0.06 3.15 0.31 0.38 -4.78 118.33 116.37 1ud0 n VAL 602 Ca 0.00 -0.12 -0.06 0.00 -0.01 0.00 0.00 64.34 64.15 1ud0 n VAL 602 Cb 0.01 -0.85 -0.05 0.00 -0.91 0.00 0.00 33.84 32.03 1ud0 n VAL 602 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ud0 h ASN 604 N -1.00 0.13 1.61 0.00 2.35 -0.93 0.61 115.58 118.35 1ud0 h ASN 604 Ca -0.00 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 1ud0 h ASN 604 Cb 0.42 0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.81 1ud0 h ASN 604 CO -0.00 -0.02 -0.13 1.55 -1.65 0.00 0.00 177.43 177.19 1ud0 h PRO 605 N 0.09 0.00 0.02 0.81 0.13 -1.77 0.36 132.00 131.64 1ud0 h PRO 605 Ca 0.68 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 65.48 1ud0 h PRO 605 Cb 2.44 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 33.52 1ud0 h PRO 605 CO -0.13 0.13 -1.96 -0.89 -0.23 0.00 0.00 178.00 174.91 1ud0 n ILE 606 N -3.16 1.58 0.14 -3.56 -0.00 0.17 -3.72 119.36 110.81 1ud0 n ILE 606 Ca 0.03 -0.77 -0.13 0.00 -0.00 0.00 0.00 62.75 61.87 1ud0 n ILE 606 Cb 0.52 -1.04 -0.08 0.00 -0.00 0.00 0.00 39.64 39.04 1ud0 n ILE 606 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 1ud0 h ILE 607 N 0.01 0.79 0.00 1.39 1.08 -0.15 -0.80 117.51 119.83 1ud0 h ILE 607 Ca -0.39 -0.52 -0.64 0.00 -0.39 0.00 0.00 64.86 62.93 1ud0 h ILE 607 Cb 2.07 1.08 0.01 0.00 -3.07 0.00 0.00 36.82 36.90 1ud0 h ILE 607 CO 0.06 0.11 3.42 0.41 -0.69 0.00 0.00 178.15 181.46 1ud0 n THR 608 N -5.12 3.70 0.16 -0.27 -1.04 0.13 0.73 114.28 112.56 1ud0 n THR 608 Ca -0.09 -2.47 0.00 0.00 -2.04 0.00 0.00 64.05 59.45 1ud0 n THR 608 Cb 0.24 -2.53 0.00 0.00 -1.82 0.00 0.00 70.33 66.22 1ud0 n THR 608 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1ud0 n LYS 609 N 4.48 0.00 0.12 -2.82 4.81 -1.08 -4.74 118.16 118.93 1ud0 n LYS 609 Ca 0.66 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 58.11 1ud0 n LYS 609 Cb 0.26 0.00 0.34 0.00 0.02 0.00 0.00 35.03 35.65 1ud0 n LYS 609 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 1ud0 h LEU 610 N 0.00 0.19 -1.04 3.14 6.46 -0.69 1.23 115.31 124.61 1ud0 h LEU 610 Ca 0.00 -0.05 -0.08 0.00 -0.12 0.00 0.00 57.88 57.63 1ud0 h LEU 610 Cb 0.00 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 1ud0 h LEU 610 CO 0.00 0.45 -0.38 0.22 -0.62 0.00 0.00 178.44 178.11 1ud0 h TYR 611 N 0.18 0.00 0.03 1.25 5.03 0.10 -2.98 116.97 120.57 1ud0 h TYR 611 Ca 0.03 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.24 1ud0 h TYR 611 Cb 0.55 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.83 1ud0 h TYR 611 CO 0.01 0.38 -0.49 1.96 -1.32 0.00 0.00 178.16 178.70 1ud0 h GLN 612 N 0.00 0.05 -7.23 1.82 4.20 -1.23 -3.46 115.11 109.26 1ud0 h GLN 612 Ca -0.00 -0.09 -0.50 0.00 0.06 0.00 0.00 58.65 58.12 1ud0 h GLN 612 Cb 0.84 0.03 0.20 0.00 0.30 0.00 0.00 27.48 28.86 1ud0 h GLN 612 CO 0.05 1.04 0.16 -1.12 -0.67 0.00 0.00 178.83 178.29 1ud0 s SER 613 N -6.51 2.28 0.55 1.46 0.01 0.41 -4.95 113.70 106.94 1ud0 s SER 613 Ca -0.21 2.00 -0.20 0.00 1.31 0.00 0.00 55.95 58.86 1ud0 s SER 613 Cb 0.00 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.68 1ud0 s SER 613 CO 0.69 -3.47 1.19 0.00 0.41 0.00 0.00 173.24 172.06 1ud0 s ALA 614 N -2.58 2.69 0.00 1.44 0.00 -1.26 -4.27 121.76 117.77 1ud0 s ALA 614 Ca 0.67 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1ud0 s ALA 614 Cb -0.24 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1ud0 s ALA 614 CO 0.60 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.79 1ud0 n GLY 615 N 0.42 1.78 1.83 0.00 0.00 -1.26 -5.00 105.19 102.96 1ud0 n GLY 615 Ca 0.12 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1ud0 n GLY 615 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ud0 n GLY 616 N 0.00 -3.16 2.11 -0.02 0.00 -1.25 -5.09 105.19 97.78 1ud0 n GLY 616 Ca 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 1ud0 n GLY 616 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ud0 n PRO 618 N 1.26 -2.45 -1.14 1.61 -0.02 -1.26 -5.06 135.00 127.94 1ud0 n PRO 618 Ca 0.00 2.08 -0.05 0.00 -2.02 0.00 0.00 63.50 63.51 1ud0 n PRO 618 Cb 0.00 -3.27 -0.04 0.00 -0.02 0.00 0.00 33.50 30.17 1ud0 n PRO 618 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ud0 n GLY 619 N 0.85 0.52 0.00 -1.23 0.00 -1.26 -5.19 105.19 98.88 1ud0 n GLY 619 Ca -0.20 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1ud0 n GLY 619 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93