#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dgx h SER 547 N 0.00 0.00 -0.67 1.61 0.02 -2.07 -3.43 113.55 109.01 2dgx h SER 547 Ca 0.00 -0.46 -0.33 0.00 -0.84 0.00 0.00 61.79 60.16 2dgx h SER 547 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 2dgx h SER 547 CO 0.00 0.95 1.30 -1.20 -1.14 0.00 0.00 176.83 176.74 2dgx n SER 548 N -4.61 1.14 -3.63 3.07 7.64 -1.26 -4.85 113.62 111.12 2dgx n SER 548 Ca -0.12 -0.63 -0.29 0.00 1.01 0.00 0.00 58.87 58.83 2dgx n SER 548 Cb 0.37 -1.29 -0.14 0.00 -1.01 0.00 0.00 64.21 62.13 2dgx n SER 548 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dgx s GLY 549 N 9.25 0.88 -0.15 0.23 0.00 -1.26 -4.89 107.32 111.38 2dgx s GLY 549 Ca 1.10 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 44.26 2dgx s GLY 549 CO 0.31 1.83 -0.10 -0.56 0.00 0.00 0.00 173.10 174.59 2dgx s SER 550 N 1.62 2.73 -0.10 1.64 0.01 -1.26 -5.01 113.70 113.33 2dgx s SER 550 Ca 0.11 -0.56 -0.13 0.00 1.31 0.00 0.00 55.95 56.68 2dgx s SER 550 Cb -0.18 -1.04 -0.04 0.00 0.21 0.00 0.00 66.02 64.96 2dgx s SER 550 CO -0.24 -0.12 -0.24 -0.24 0.41 0.00 0.00 173.24 172.80 2dgx n SER 551 N 4.82 1.66 0.00 2.44 2.88 -1.26 -5.06 113.62 119.11 2dgx n SER 551 Ca -0.14 0.27 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2dgx n SER 551 Cb 0.49 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 2dgx n SER 551 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dgx n GLY 552 N 2.03 2.14 2.89 0.46 0.00 -1.26 -5.14 105.19 106.31 2dgx n GLY 552 Ca -0.10 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 44.89 2dgx n GLY 552 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dgx s ASN 553 N 0.00 0.74 0.00 1.61 2.20 -1.26 -4.94 114.94 113.30 2dgx s ASN 553 Ca 0.00 0.27 0.00 0.00 -0.94 0.00 0.00 52.86 52.19 2dgx s ASN 553 Cb 0.00 0.54 0.00 0.00 -2.00 0.00 0.00 41.25 39.79 2dgx s ASN 553 CO 0.00 -0.27 0.00 0.61 -2.94 0.00 0.00 177.10 174.50 2dgx n GLY 554 N 5.34 0.97 3.15 0.45 0.00 -1.24 -5.05 105.19 108.81 2dgx n GLY 554 Ca -0.06 -1.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.10 2dgx n GLY 554 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dgx s ALA 555 N -2.84 -0.64 -0.31 4.61 0.00 -1.04 -4.53 121.76 117.01 2dgx s ALA 555 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2dgx s ALA 555 Cb 0.00 -0.35 0.07 0.00 0.00 0.00 0.00 23.12 22.84 2dgx s ALA 555 CO 0.00 -0.14 0.01 -0.51 0.00 0.00 0.00 175.76 175.12 2dgx s ASP 556 N -0.11 4.82 -0.40 0.00 1.01 -1.26 -1.06 116.67 119.66 2dgx s ASP 556 Ca -0.02 -1.54 -0.18 0.00 0.71 0.00 0.00 52.55 51.52 2dgx s ASP 556 Cb -0.03 -1.68 0.01 0.00 1.01 0.00 0.00 42.92 42.24 2dgx s ASP 556 CO 0.01 -0.30 0.50 -0.69 0.21 0.00 0.00 175.17 174.89 2dgx s VAL 557 N 1.15 5.02 -0.16 -1.27 1.01 -0.68 -2.32 120.40 123.14 2dgx s VAL 557 Ca -0.02 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.60 2dgx s VAL 557 Cb -0.20 -4.05 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 2dgx s VAL 557 CO -0.03 -0.40 1.00 -1.10 0.00 0.00 0.00 175.10 174.57 2dgx s GLN 558 N 2.35 4.35 -0.11 2.72 -0.21 0.31 -0.44 119.66 128.61 2dgx s GLN 558 Ca 0.16 1.34 0.01 0.00 0.02 0.00 0.00 55.36 56.89 2dgx s GLN 558 Cb -0.16 -3.58 -0.02 0.00 1.00 0.00 0.00 33.01 30.25 2dgx s GLN 558 CO 0.15 -0.44 -0.15 0.08 -2.12 0.00 0.00 175.29 172.81 2dgx s VAL 559 N 2.49 2.92 0.24 1.09 1.01 0.44 -1.20 120.40 127.39 2dgx s VAL 559 Ca 0.46 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.73 2dgx s VAL 559 Cb -0.17 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 2dgx s VAL 559 CO 0.13 0.54 0.07 -0.44 0.00 0.00 0.00 175.10 175.39 2dgx s SER 560 N 0.15 1.24 -0.86 3.32 0.01 -0.78 -0.99 113.70 115.80 2dgx s SER 560 Ca -0.08 -1.32 -0.05 0.00 1.31 0.00 0.00 55.95 55.81 2dgx s SER 560 Cb -0.15 0.14 0.01 0.00 0.21 0.00 0.00 66.02 66.22 2dgx s SER 560 CO 0.05 -0.68 0.75 -3.20 0.41 0.00 0.00 173.24 170.57 2dgx n ASN 561 N -0.41 -4.57 -4.69 2.44 5.15 -1.25 -0.23 115.26 111.70 2dgx n ASN 561 Ca -0.02 -0.35 -0.41 0.00 -0.60 0.00 0.00 54.58 53.20 2dgx n ASN 561 Cb 0.65 -3.40 -0.04 0.00 -0.53 0.00 0.00 39.78 36.46 2dgx n ASN 561 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2dgx s ILE 562 N -3.21 4.91 -0.94 -1.44 1.01 -1.18 -3.88 121.20 116.47 2dgx s ILE 562 Ca 0.34 1.73 -0.26 0.00 0.00 0.00 0.00 60.65 62.47 2dgx s ILE 562 Cb -0.15 -4.18 -0.16 0.00 0.01 0.00 0.00 42.46 37.98 2dgx s ILE 562 CO 0.47 0.11 2.22 1.51 0.00 0.00 0.00 174.94 179.25 2dgx s ASP 563 N 1.02 3.89 0.56 3.58 1.47 -1.26 -4.64 116.67 121.29 2dgx s ASP 563 Ca 0.42 -0.52 0.32 0.00 1.18 0.00 0.00 52.55 53.95 2dgx s ASP 563 Cb -0.18 -2.57 1.46 0.00 -0.34 0.00 0.00 42.92 41.29 2dgx s ASP 563 CO 0.18 -4.08 1.83 0.10 0.68 0.00 0.00 175.17 173.89 2dgx h TYR 564 N 11.95 0.00 -1.09 2.11 -0.00 -1.92 -1.17 116.97 126.85 2dgx h TYR 564 Ca 0.03 0.00 0.41 0.00 -0.00 0.00 0.00 58.73 59.17 2dgx h TYR 564 Cb 1.00 0.00 -0.16 0.00 -0.00 0.00 0.00 36.73 37.56 2dgx h TYR 564 CO 1.11 0.00 0.63 0.00 -0.00 0.00 0.00 178.16 179.90 2dgx h ARG 565 N 0.00 0.06 -7.45 0.10 3.08 -1.98 -3.40 114.38 104.80 2dgx h ARG 565 Ca 0.39 -0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.95 2dgx h ARG 565 Cb 1.75 -0.01 0.08 0.00 0.08 0.00 0.00 29.97 31.87 2dgx h ARG 565 CO -0.00 0.04 0.40 -0.51 -1.07 0.00 0.00 179.97 178.83 2dgx s LEU 566 N -10.25 2.92 0.22 3.04 1.43 -0.45 -5.02 118.68 110.58 2dgx s LEU 566 Ca -0.09 1.21 -0.30 0.00 -1.03 0.00 0.00 54.13 53.93 2dgx s LEU 566 Cb 0.33 -4.02 -0.09 0.00 0.03 0.00 0.00 46.19 42.44 2dgx s LEU 566 CO 0.79 -1.35 1.18 -0.44 0.23 0.00 0.00 176.35 176.76 2dgx s SER 567 N -4.26 7.11 0.47 2.29 0.01 -1.26 -4.90 113.70 113.16 2dgx s SER 567 Ca 0.58 2.28 0.23 0.00 1.31 0.00 0.00 55.95 60.35 2dgx s SER 567 Cb -0.12 -2.61 1.26 0.00 0.21 0.00 0.00 66.02 64.76 2dgx s SER 567 CO 0.52 -0.33 1.89 0.03 0.41 0.00 0.00 173.24 175.76 2dgx h ARG 568 N 4.77 0.21 -0.14 12.44 3.08 -1.95 0.96 114.38 133.76 2dgx h ARG 568 Ca -0.45 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.50 2dgx h ARG 568 Cb 1.21 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.22 2dgx h ARG 568 CO 0.72 0.14 -0.26 1.57 -1.07 0.00 0.00 179.97 181.07 2dgx h LYS 569 N 0.21 0.41 0.00 0.04 2.10 -2.00 -1.75 116.57 115.59 2dgx h LYS 569 Ca 0.42 -0.26 -0.03 0.00 -2.00 0.00 0.00 60.65 58.77 2dgx h LYS 569 Cb 1.32 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.68 2dgx h LYS 569 CO -0.09 0.86 -0.16 1.49 -2.00 0.00 0.00 179.45 179.55 2dgx h GLU 570 N 0.01 0.00 0.02 0.07 4.57 -1.44 -2.59 114.58 115.22 2dgx h GLU 570 Ca 0.01 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 2dgx h GLU 570 Cb 0.85 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 2dgx h GLU 570 CO 0.06 0.16 -0.16 -0.07 -1.18 0.00 0.00 179.01 177.81 2dgx h LEU 571 N 0.00 0.11 -0.97 1.64 3.38 -0.81 -2.34 115.31 116.32 2dgx h LEU 571 Ca -0.00 -0.92 0.04 0.00 0.09 0.00 0.00 57.88 57.09 2dgx h LEU 571 Cb 0.57 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 2dgx h LEU 571 CO 0.02 1.02 0.63 0.06 0.09 0.00 0.00 178.44 180.26 2dgx h GLN 572 N -0.78 1.18 -0.06 1.13 3.07 -1.26 -0.51 115.11 117.89 2dgx h GLN 572 Ca -0.03 -0.07 -0.02 0.00 0.09 0.00 0.00 58.65 58.62 2dgx h GLN 572 Cb 1.06 -0.27 -0.00 0.00 0.08 0.00 0.00 27.48 28.35 2dgx h GLN 572 CO 0.03 0.78 -0.05 -0.56 0.09 0.00 0.00 178.83 179.12 2dgx h GLN 573 N 1.22 0.14 0.53 0.06 3.07 -1.57 -3.13 115.11 115.43 2dgx h GLN 573 Ca 0.39 -0.07 -0.02 0.00 0.09 0.00 0.00 58.65 59.04 2dgx h GLN 573 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.58 2dgx h GLN 573 CO -0.13 0.58 -0.40 -0.07 0.09 0.00 0.00 178.83 178.90 2dgx h LEU 574 N -0.30 -1.05 -0.95 0.06 3.38 -1.12 -2.50 115.31 112.84 2dgx h LEU 574 Ca 0.01 0.07 0.32 0.00 0.09 0.00 0.00 57.88 58.37 2dgx h LEU 574 Cb 0.55 0.32 -0.17 0.00 0.09 0.00 0.00 40.66 41.45 2dgx h LEU 574 CO 0.01 -0.57 0.24 0.18 0.09 0.00 0.00 178.44 178.40 2dgx n LEU 575 N -4.87 0.09 -0.13 1.67 4.77 -0.22 0.13 117.00 118.43 2dgx n LEU 575 Ca -0.11 1.60 -0.06 0.00 -0.03 0.00 0.00 56.01 57.41 2dgx n LEU 575 Cb 0.39 -0.67 0.03 0.00 -2.33 0.00 0.00 43.42 40.83 2dgx n LEU 575 CO 0.25 -1.69 0.99 -0.61 -1.33 0.00 0.00 177.39 174.99 2dgx h GLN 576 N 0.00 0.39 0.03 3.23 4.15 -1.39 -2.17 115.11 119.34 2dgx h GLN 576 Ca 0.68 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 60.10 2dgx h GLN 576 Cb 1.62 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 29.17 2dgx h GLN 576 CO -0.82 0.26 -0.54 0.93 -1.93 0.00 0.00 178.83 176.73 2dgx h GLU 577 N 0.40 -0.67 0.10 1.69 3.07 0.12 0.84 114.58 120.14 2dgx h GLU 577 Ca 0.18 0.05 0.01 0.00 -0.50 0.00 0.00 59.36 59.09 2dgx h GLU 577 Cb 0.10 0.15 -0.04 0.00 -0.84 0.00 0.00 28.75 28.12 2dgx h GLU 577 CO -0.13 -0.45 -0.42 0.00 -1.40 0.00 0.00 179.01 176.61 2dgx h ALA 578 N -0.44 -0.91 -0.48 3.43 0.00 -1.36 0.17 119.26 119.67 2dgx h ALA 578 Ca 0.01 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 54.97 2dgx h ALA 578 Cb 0.73 0.80 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 2dgx h ALA 578 CO -0.34 -1.01 0.35 0.74 0.00 0.00 0.00 179.25 178.98 2dgx h PHE 579 N -0.60 0.00 -0.17 0.00 0.04 -1.21 -1.28 116.94 113.73 2dgx h PHE 579 Ca -0.01 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.70 2dgx h PHE 579 Cb 0.60 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.75 2dgx h PHE 579 CO -0.42 0.00 -0.15 0.00 -0.60 0.00 0.00 178.31 177.14 2dgx h ALA 580 N 1.76 0.24 -0.14 2.45 0.00 0.22 -2.66 119.26 121.14 2dgx h ALA 580 Ca 0.23 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2dgx h ALA 580 Cb 0.92 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2dgx h ALA 580 CO -0.00 0.13 0.41 0.00 0.00 0.00 0.00 179.25 179.78 2dgx h ARG 581 N 0.04 0.00 0.00 0.00 3.08 0.51 -2.96 114.38 115.05 2dgx h ARG 581 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2dgx h ARG 581 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2dgx h ARG 581 CO 0.04 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.66 2dgx n HIS 582 N -3.14 0.00 0.00 3.04 8.25 -1.10 -5.07 115.22 117.21 2dgx n HIS 582 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2dgx n HIS 582 Cb 0.49 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.30 2dgx n HIS 582 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dgx n GLY 583 N 1.83 2.33 2.83 -1.41 0.00 -1.02 -5.09 105.19 104.66 2dgx n GLY 583 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 2dgx n GLY 583 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dgx s LYS 584 N 3.41 1.03 0.26 1.61 2.47 -1.26 -4.68 119.74 122.59 2dgx s LYS 584 Ca 0.00 -1.07 -0.30 0.00 -1.56 0.00 0.00 55.97 53.04 2dgx s LYS 584 Cb 0.00 -2.33 -0.11 0.00 -1.46 0.00 0.00 37.83 33.93 2dgx s LYS 584 CO 0.00 -0.83 1.55 0.08 0.16 0.00 0.00 175.35 176.31 2dgx s VAL 585 N 1.50 2.30 -0.20 4.02 1.01 -1.26 -1.60 120.40 126.16 2dgx s VAL 585 Ca 0.04 0.25 -0.15 0.00 0.00 0.00 0.00 61.98 62.12 2dgx s VAL 585 Cb -0.18 -3.16 -0.09 0.00 0.00 0.00 0.00 36.38 32.95 2dgx s VAL 585 CO -0.15 0.04 -0.21 1.17 0.00 0.00 0.00 175.10 175.95 2dgx n LYS 586 N 2.52 0.53 -3.77 2.72 3.00 0.74 -4.78 118.16 119.13 2dgx n LYS 586 Ca 0.09 0.37 -0.10 0.00 -0.00 0.00 0.00 58.31 58.67 2dgx n LYS 586 Cb 0.38 -1.57 -0.04 0.00 0.00 0.00 0.00 35.03 33.80 2dgx n LYS 586 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2dgx s SER 587 N -6.43 -0.22 -0.09 3.14 0.15 -0.88 -4.99 113.70 104.37 2dgx s SER 587 Ca -0.28 -0.53 -0.01 0.00 0.70 0.00 0.00 55.95 55.83 2dgx s SER 587 Cb 0.07 0.56 0.03 0.00 -1.71 0.00 0.00 66.02 64.96 2dgx s SER 587 CO 0.42 -1.03 -0.03 -0.69 1.20 0.00 0.00 173.24 173.11 2dgx s VAL 588 N -3.89 0.64 0.05 4.45 1.01 -1.26 -0.46 120.40 120.95 2dgx s VAL 588 Ca 0.10 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.04 2dgx s VAL 588 Cb -0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 2dgx s VAL 588 CO -0.02 0.28 -0.02 -1.61 0.00 0.00 0.00 175.10 173.72 2dgx s GLU 589 N 1.86 2.58 -0.03 2.72 0.41 0.46 -5.00 118.70 121.70 2dgx s GLU 589 Ca 0.05 -0.77 0.05 0.00 -0.41 0.00 0.00 54.97 53.88 2dgx s GLU 589 Cb -0.13 -2.55 -0.01 0.00 -1.78 0.00 0.00 34.13 29.67 2dgx s GLU 589 CO -0.07 0.57 -0.18 -0.51 -0.49 0.00 0.00 175.26 174.59 2dgx s LEU 590 N -1.94 1.98 0.56 1.80 1.43 -1.26 -1.65 118.68 119.59 2dgx s LEU 590 Ca 0.22 -0.35 -0.16 0.00 -1.03 0.00 0.00 54.13 52.82 2dgx s LEU 590 Cb -0.11 -0.97 -0.06 0.00 0.03 0.00 0.00 46.19 45.08 2dgx s LEU 590 CO 0.14 0.19 1.02 -0.94 0.23 0.00 0.00 176.35 176.99 2dgx s SER 591 N -0.20 6.23 0.54 2.29 1.04 -0.89 -4.95 113.70 117.75 2dgx s SER 591 Ca 0.02 1.65 0.33 0.00 0.48 0.00 0.00 55.95 58.43 2dgx s SER 591 Cb -0.09 -2.51 1.39 0.00 0.10 0.00 0.00 66.02 64.90 2dgx s SER 591 CO 0.01 -0.86 1.98 1.55 0.98 0.00 0.00 173.24 176.90 2dgx h PRO 592 N 0.57 0.00 -6.27 4.02 0.13 -1.96 -3.45 132.00 125.04 2dgx h PRO 592 Ca -0.46 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.01 2dgx h PRO 592 Cb 1.20 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.36 2dgx h PRO 592 CO 0.60 0.00 0.88 0.72 -0.23 0.00 0.00 178.00 179.97 2dgx n HIS 593 N -3.03 2.10 -1.55 1.56 8.25 -1.26 -4.87 115.22 116.43 2dgx n HIS 593 Ca 0.01 0.31 -0.19 0.00 -0.26 0.00 0.00 57.72 57.58 2dgx n HIS 593 Cb 0.29 -2.53 0.12 0.00 1.12 0.00 0.00 29.99 28.99 2dgx n HIS 593 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2dgx n THR 594 N 4.26 2.89 -4.11 1.59 -2.24 -1.26 -4.56 114.28 110.85 2dgx n THR 594 Ca 0.22 -3.10 -0.15 0.00 -2.27 0.00 0.00 64.05 58.75 2dgx n THR 594 Cb 0.23 -0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 67.65 2dgx n THR 594 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2dgx n ASP 595 N -0.97 -1.00 -0.58 3.42 9.92 -1.26 -5.00 116.55 121.08 2dgx n ASP 595 Ca 0.46 -2.83 0.47 0.00 -0.53 0.00 0.00 54.79 52.36 2dgx n ASP 595 Cb 0.99 1.99 0.72 0.00 -0.64 0.00 0.00 41.12 44.18 2dgx n ASP 595 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dgx n TYR 596 N -0.54 0.00 -0.40 1.24 4.11 -1.26 0.51 117.16 120.81 2dgx n TYR 596 Ca 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.89 2dgx n TYR 596 Cb 0.54 -0.43 0.01 0.00 -0.00 0.00 0.00 39.34 39.46 2dgx n TYR 596 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 2dgx n GLN 597 N -3.73 1.22 -2.84 -3.48 6.02 -1.26 -4.66 117.38 108.66 2dgx n GLN 597 Ca 0.39 -0.45 -0.43 0.00 -0.01 0.00 0.00 57.00 56.50 2dgx n GLN 597 Cb 1.89 -1.18 -0.04 0.00 1.02 0.00 0.00 30.24 31.93 2dgx n GLN 597 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2dgx s LEU 598 N -0.52 4.04 0.54 1.08 2.96 0.18 -4.71 118.68 122.26 2dgx s LEU 598 Ca 0.09 0.20 0.05 0.00 -0.22 0.00 0.00 54.13 54.25 2dgx s LEU 598 Cb 0.07 -3.17 0.04 0.00 0.50 0.00 0.00 46.19 43.63 2dgx s LEU 598 CO 0.00 -0.98 0.39 -0.54 -1.32 0.00 0.00 176.35 173.91 2dgx s LYS 599 N 3.60 2.25 0.10 1.98 1.02 -1.26 -3.07 119.74 124.36 2dgx s LYS 599 Ca 0.36 -2.03 -0.27 0.00 0.02 0.00 0.00 55.97 54.05 2dgx s LYS 599 Cb -0.11 -2.08 0.08 0.00 -0.52 0.00 0.00 37.83 35.20 2dgx s LYS 599 CO 0.24 -0.61 1.04 0.00 -0.92 0.00 0.00 175.35 175.10 2dgx s ALA 600 N -2.77 -1.82 -0.05 5.17 0.00 -0.16 -2.09 121.76 120.05 2dgx s ALA 600 Ca 0.33 0.34 -0.02 0.00 0.00 0.00 0.00 51.96 52.61 2dgx s ALA 600 Cb -0.02 0.55 0.03 0.00 0.00 0.00 0.00 23.12 23.67 2dgx s ALA 600 CO 0.21 -1.02 0.04 0.08 0.00 0.00 0.00 175.76 175.06 2dgx s VAL 601 N -3.05 0.04 -0.41 0.00 1.01 -0.66 -0.42 120.40 116.92 2dgx s VAL 601 Ca 0.12 0.32 -0.11 0.00 0.00 0.00 0.00 61.98 62.31 2dgx s VAL 601 Cb 0.00 -0.26 0.05 0.00 0.00 0.00 0.00 36.38 36.18 2dgx s VAL 601 CO 0.00 0.20 0.26 -0.69 0.00 0.00 0.00 175.10 174.86 2dgx s VAL 602 N 2.01 4.56 0.11 2.92 1.01 0.41 -0.40 120.40 131.02 2dgx s VAL 602 Ca 0.04 -1.09 -0.30 0.00 0.00 0.00 0.00 61.98 60.63 2dgx s VAL 602 Cb -0.12 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.54 2dgx s VAL 602 CO -0.04 -0.39 1.05 -1.58 0.00 0.00 0.00 175.10 174.14 2dgx s GLN 603 N 1.52 4.60 0.25 2.72 0.74 0.39 -1.69 119.66 128.20 2dgx s GLN 603 Ca 0.03 1.59 0.09 0.00 0.05 0.00 0.00 55.36 57.11 2dgx s GLN 603 Cb -0.21 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.51 2dgx s GLN 603 CO 0.05 0.06 0.03 -1.64 -0.55 0.00 0.00 175.29 173.24 2dgx s MET 604 N 0.16 2.41 -0.06 1.67 -1.94 -0.22 -0.19 119.30 121.12 2dgx s MET 604 Ca 0.50 -1.32 -0.17 0.00 -1.71 0.00 0.00 55.69 53.00 2dgx s MET 604 Cb -0.26 -2.25 -0.12 0.00 2.01 0.00 0.00 34.83 34.21 2dgx s MET 604 CO 0.31 0.38 0.65 0.93 -0.01 0.00 0.00 175.02 177.29 2dgx h GLU 605 N 1.94 -0.22 -5.65 2.03 4.39 -1.60 -2.75 114.58 112.71 2dgx h GLU 605 Ca -0.45 0.02 -0.67 0.00 0.34 0.00 0.00 59.36 58.59 2dgx h GLU 605 Cb 1.24 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.87 2dgx h GLU 605 CO 0.60 0.12 -0.48 1.21 -1.16 0.00 0.00 179.01 179.30 2dgx s ASN 606 N -5.43 6.37 0.06 1.42 2.47 -1.26 -3.59 114.94 114.98 2dgx s ASN 606 Ca -0.10 0.46 -0.34 0.00 0.42 0.00 0.00 52.86 53.31 2dgx s ASN 606 Cb 0.00 -2.06 -0.18 0.00 -1.45 0.00 0.00 41.25 37.57 2dgx s ASN 606 CO 0.36 0.40 1.51 0.25 -3.72 0.00 0.00 177.10 175.90 2dgx h LEU 607 N 4.94 -1.15 -0.71 3.21 7.12 -1.88 -2.92 115.31 123.92 2dgx h LEU 607 Ca -0.55 0.06 0.15 0.00 0.13 0.00 0.00 57.88 57.68 2dgx h LEU 607 Cb 1.23 0.34 -0.13 0.00 -0.53 0.00 0.00 40.66 41.57 2dgx h LEU 607 CO 0.58 -0.69 -0.10 1.56 -0.13 0.00 0.00 178.44 179.67 2dgx h GLN 608 N -1.10 0.04 -1.07 1.25 1.08 -1.96 0.29 115.11 113.64 2dgx h GLN 608 Ca -0.10 -0.00 0.35 0.00 -1.45 0.00 0.00 58.65 57.45 2dgx h GLN 608 Cb 0.89 -0.01 -0.14 0.00 -0.05 0.00 0.00 27.48 28.17 2dgx h GLN 608 CO 0.09 0.03 0.64 -0.44 -0.95 0.00 0.00 178.83 178.20 2dgx h ASP 609 N 0.04 0.44 0.04 1.46 3.32 -1.94 0.11 116.42 119.89 2dgx h ASP 609 Ca 0.36 0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.58 2dgx h ASP 609 Cb 0.59 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.27 2dgx h ASP 609 CO -0.68 -0.14 -0.02 0.00 -1.72 0.00 0.00 179.24 176.68 2dgx h ALA 610 N 1.78 -0.05 -0.86 3.45 0.00 -0.34 -2.29 119.26 120.96 2dgx h ALA 610 Ca 0.75 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 55.48 2dgx h ALA 610 Cb 1.88 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.58 2dgx h ALA 610 CO -0.55 -0.27 -0.51 -0.89 0.00 0.00 0.00 179.25 177.03 2dgx n ILE 611 N -4.87 -0.59 -0.05 0.00 5.41 0.36 -0.25 119.36 119.37 2dgx n ILE 611 Ca -0.09 2.15 -0.12 0.00 1.00 0.00 0.00 62.75 65.70 2dgx n ILE 611 Cb 0.26 -2.67 -0.06 0.00 -0.71 0.00 0.00 39.64 36.46 2dgx n ILE 611 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2dgx h GLY 612 N 0.00 0.28 -0.18 7.39 0.00 -1.61 -2.77 103.07 106.19 2dgx h GLY 612 Ca 0.14 -0.20 0.30 0.00 0.00 0.00 0.00 47.33 47.57 2dgx h GLY 612 CO -0.81 0.19 0.76 0.00 0.00 0.00 0.00 176.54 176.67 2dgx h ALA 613 N 0.77 2.82 0.21 3.60 0.00 -0.46 0.59 119.26 126.79 2dgx h ALA 613 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2dgx h ALA 613 Cb 0.36 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2dgx h ALA 613 CO 0.01 -1.16 -0.10 0.28 0.00 0.00 0.00 179.25 178.28 2dgx h VAL 614 N 0.11 0.00 0.00 0.00 2.07 -0.38 0.44 116.25 118.48 2dgx h VAL 614 Ca 0.54 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2dgx h VAL 614 Cb 1.93 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2dgx h VAL 614 CO -0.09 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.28 2dgx h ASN 615 N -0.90 0.00 0.00 0.57 2.35 -1.13 0.43 115.58 116.90 2dgx h ASN 615 Ca -0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2dgx h ASN 615 Cb 0.21 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 2dgx h ASN 615 CO 0.05 0.00 -0.35 0.28 -1.65 0.00 0.00 177.43 175.75 2dgx h SER 616 N 0.00 0.00 0.55 5.81 0.02 0.10 -3.36 113.55 116.68 2dgx h SER 616 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2dgx h SER 616 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2dgx h SER 616 CO 0.00 0.68 0.00 -0.07 -1.14 0.00 0.00 176.83 176.30 2dgx h LEU 617 N -1.00 0.00 -7.53 5.07 3.38 -0.77 -3.45 115.31 111.01 2dgx h LEU 617 Ca -0.00 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.25 2dgx h LEU 617 Cb 0.35 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.12 2dgx h LEU 617 CO -0.00 0.00 0.47 1.57 0.09 0.00 0.00 178.44 180.57 2dgx n HIS 618 N -2.64 1.28 -3.08 1.13 -0.00 0.15 0.17 115.22 112.23 2dgx n HIS 618 Ca 0.00 0.95 -0.21 0.00 0.46 0.00 0.00 57.72 58.92 2dgx n HIS 618 Cb 0.19 -1.84 0.04 0.00 -0.12 0.00 0.00 29.99 28.26 2dgx n HIS 618 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2dgx n ARG 619 N 2.92 -5.15 -1.82 1.57 5.12 0.23 -4.89 116.66 114.64 2dgx n ARG 619 Ca 0.24 0.81 -0.43 0.00 -1.93 0.00 0.00 57.85 56.55 2dgx n ARG 619 Cb -0.03 -5.53 -0.03 0.00 -1.16 0.00 0.00 32.46 25.71 2dgx n ARG 619 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 2dgx s TYR 620 N -3.17 1.56 -0.81 -1.55 5.04 0.45 -4.58 117.35 114.28 2dgx s TYR 620 Ca 0.34 0.29 -0.23 0.00 -2.44 0.00 0.00 57.07 55.02 2dgx s TYR 620 Cb -0.15 -4.04 -0.17 0.00 0.35 0.00 0.00 41.96 37.95 2dgx s TYR 620 CO 0.42 -4.00 2.38 1.17 -1.34 0.00 0.00 175.55 174.17 2dgx n LYS 621 N 8.05 0.49 -4.29 4.97 3.00 -1.26 -2.96 118.16 126.16 2dgx n LYS 621 Ca 0.23 -0.65 -0.25 0.00 -0.00 0.00 0.00 58.31 57.64 2dgx n LYS 621 Cb 0.44 -3.22 -0.08 0.00 0.00 0.00 0.00 35.03 32.17 2dgx n LYS 621 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2dgx s ILE 622 N 12.26 3.34 0.00 3.15 1.01 -0.96 -5.02 121.20 134.97 2dgx s ILE 622 Ca 1.00 -1.76 0.00 0.00 0.00 0.00 0.00 60.65 59.89 2dgx s ILE 622 Cb -0.27 -2.71 0.00 0.00 0.01 0.00 0.00 42.46 39.49 2dgx s ILE 622 CO 0.18 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.50 2dgx n GLY 623 N -0.39 1.42 0.06 6.18 0.00 -1.26 -0.71 105.19 110.48 2dgx n GLY 623 Ca -0.09 0.35 0.06 0.00 0.00 0.00 0.00 46.02 46.35 2dgx n GLY 623 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dgx n SER 624 N 2.29 2.14 -3.76 1.61 7.64 -1.26 -5.04 113.62 117.24 2dgx n SER 624 Ca 0.00 -2.67 -0.10 0.00 1.01 0.00 0.00 58.87 57.11 2dgx n SER 624 Cb 0.00 -0.28 -0.06 0.00 -1.01 0.00 0.00 64.21 62.86 2dgx n SER 624 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2dgx s LYS 625 N -2.15 0.90 -0.17 1.43 1.02 0.11 -5.01 119.74 115.87 2dgx s LYS 625 Ca 0.20 -0.77 -0.16 0.00 0.02 0.00 0.00 55.97 55.26 2dgx s LYS 625 Cb 0.18 0.38 -0.04 0.00 -0.52 0.00 0.00 37.83 37.83 2dgx s LYS 625 CO 0.02 -0.31 0.41 0.15 -0.92 0.00 0.00 175.35 174.69 2dgx s LYS 626 N -3.51 4.24 0.18 1.68 3.01 -1.26 -2.27 119.74 121.80 2dgx s LYS 626 Ca 0.02 0.26 -0.22 0.00 -1.01 0.00 0.00 55.97 55.02 2dgx s LYS 626 Cb 0.02 -3.49 -0.08 0.00 -1.01 0.00 0.00 37.83 33.28 2dgx s LYS 626 CO -0.09 0.07 0.72 0.96 0.51 0.00 0.00 175.35 177.52 2dgx s ILE 627 N 0.97 4.51 -0.35 2.17 -4.36 -1.15 -4.70 121.20 118.28 2dgx s ILE 627 Ca 0.21 1.45 -0.08 0.00 -0.26 0.00 0.00 60.65 61.97 2dgx s ILE 627 Cb -0.14 -3.98 0.03 0.00 1.25 0.00 0.00 42.46 39.62 2dgx s ILE 627 CO 0.08 0.39 0.14 -0.76 0.24 0.00 0.00 174.94 175.03 2dgx s LEU 628 N -1.50 4.47 0.19 0.37 1.43 0.68 0.78 118.68 125.11 2dgx s LEU 628 Ca 0.38 -1.08 -0.16 0.00 -1.03 0.00 0.00 54.13 52.24 2dgx s LEU 628 Cb -0.20 -1.93 -0.08 0.00 0.03 0.00 0.00 46.19 44.02 2dgx s LEU 628 CO 0.23 -0.35 0.62 -0.69 0.23 0.00 0.00 176.35 176.39 2dgx s VAL 629 N 1.46 4.76 -0.28 -1.59 1.01 -1.26 -1.86 120.40 122.64 2dgx s VAL 629 Ca -0.00 0.95 -0.18 0.00 0.00 0.00 0.00 61.98 62.75 2dgx s VAL 629 Cb -0.19 -3.76 0.09 0.00 0.00 0.00 0.00 36.38 32.52 2dgx s VAL 629 CO 0.04 0.18 0.75 -0.44 0.00 0.00 0.00 175.10 175.63 2dgx s SER 630 N -1.79 -0.84 0.87 3.32 0.01 -0.34 -4.86 113.70 110.07 2dgx s SER 630 Ca 0.41 1.39 -0.10 0.00 1.31 0.00 0.00 55.95 58.96 2dgx s SER 630 Cb -0.15 1.36 0.12 0.00 0.21 0.00 0.00 66.02 67.56 2dgx s SER 630 CO 0.20 -0.22 1.12 -0.76 0.41 0.00 0.00 173.24 173.98 2dgx s LEU 631 N 1.36 2.83 -0.05 2.44 1.43 -1.26 -0.53 118.68 124.89 2dgx s LEU 631 Ca -0.08 2.01 0.03 0.00 -1.03 0.00 0.00 54.13 55.06 2dgx s LEU 631 Cb -0.05 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 41.68 2dgx s LEU 631 CO -0.16 -2.73 -0.14 0.00 0.23 0.00 0.00 176.35 173.55 2dgx s ALA 632 N -2.75 1.35 0.05 4.21 0.00 -0.98 -4.73 121.76 118.91 2dgx s ALA 632 Ca 0.65 -0.55 -0.36 0.00 0.00 0.00 0.00 51.96 51.70 2dgx s ALA 632 Cb -0.21 -0.51 -0.15 0.00 0.00 0.00 0.00 23.12 22.25 2dgx s ALA 632 CO 0.57 0.20 1.49 0.25 0.00 0.00 0.00 175.76 178.28 2dgx n THR 633 N 3.41 0.08 0.06 0.00 -2.24 -1.26 -4.68 114.28 109.65 2dgx n THR 633 Ca -0.20 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2dgx n THR 633 Cb 0.53 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 2dgx n THR 633 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dgx n GLY 634 N 3.11 -0.07 3.59 3.38 0.00 -1.26 -5.05 105.19 108.89 2dgx n GLY 634 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 2dgx n GLY 634 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dgx s ALA 635 N -2.00 -1.74 0.02 4.61 0.00 -1.26 -5.17 121.76 116.22 2dgx s ALA 635 Ca 0.00 2.20 -0.00 0.00 0.00 0.00 0.00 51.96 54.16 2dgx s ALA 635 Cb 0.00 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.81 2dgx s ALA 635 CO 0.00 -0.35 -0.02 -1.54 0.00 0.00 0.00 175.76 173.85 2dgx s SER 636 N 1.29 0.23 0.23 0.00 1.04 -1.26 -5.04 113.70 110.19 2dgx s SER 636 Ca -0.07 -0.48 0.11 0.00 0.48 0.00 0.00 55.95 55.98 2dgx s SER 636 Cb -0.05 0.11 -0.05 0.00 0.10 0.00 0.00 66.02 66.13 2dgx s SER 636 CO -0.14 -0.30 -0.18 -0.83 0.98 0.00 0.00 173.24 172.76 2dgx s GLY 637 N -1.45 1.78 0.17 7.32 0.00 -1.26 -5.05 107.32 108.83 2dgx s GLY 637 Ca -0.16 -1.72 -0.08 0.00 0.00 0.00 0.00 44.72 42.76 2dgx s GLY 637 CO -0.01 -1.78 1.51 -0.56 0.00 0.00 0.00 173.10 172.27 2dgx h PRO 638 N 2.66 0.81 -1.75 2.90 0.13 -2.02 -3.45 132.00 131.28 2dgx h PRO 638 Ca -0.44 -0.43 0.07 0.00 -0.87 0.00 0.00 66.00 64.34 2dgx h PRO 638 Cb 1.23 0.02 -0.24 0.00 0.13 0.00 0.00 31.00 32.14 2dgx h PRO 638 CO 0.55 1.06 0.20 -1.54 -0.23 0.00 0.00 178.00 178.04 2dgx s SER 639 N -6.85 -0.73 -0.36 1.44 1.04 -1.26 -5.12 113.70 101.86 2dgx s SER 639 Ca -0.10 1.16 -0.29 0.00 0.48 0.00 0.00 55.95 57.20 2dgx s SER 639 Cb 0.12 1.32 0.00 0.00 0.10 0.00 0.00 66.02 67.55 2dgx s SER 639 CO 0.86 -0.18 1.44 -0.55 0.98 0.00 0.00 173.24 175.79 2dgx s SER 640 N 1.52 6.37 0.00 7.02 0.15 -1.26 -5.06 113.70 122.44 2dgx s SER 640 Ca -0.09 1.03 0.00 0.00 0.70 0.00 0.00 55.95 57.58 2dgx s SER 640 Cb -0.04 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2dgx s SER 640 CO -0.17 -1.37 0.00 0.61 1.20 0.00 0.00 173.24 173.51