#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 -1.78 -3.43 1.61 0.02 -2.04 -3.36 113.55 104.58 2dgx h SER 547 Ca 0.00 0.28 -0.67 0.00 -0.84 0.00 0.00 61.79 60.56 2dgx h SER 547 Cb 0.00 0.80 -0.33 0.00 0.14 0.00 0.00 62.40 63.01 2dgx h SER 547 CO 0.00 -0.31 -0.78 -0.94 -1.14 0.00 0.00 176.83 173.66 2dgx s SER 548 N -5.27 4.04 0.00 3.07 1.04 -1.26 -5.03 113.70 110.29 2dgx s SER 548 Ca -0.13 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.47 2dgx s SER 548 Cb 0.12 -1.62 0.00 0.00 0.10 0.00 0.00 66.02 64.63 2dgx s SER 548 CO 0.65 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.38 2dgx n GLY 549 N 4.65 2.34 3.07 7.32 0.00 -1.26 -5.10 105.19 116.20 2dgx n GLY 549 Ca -0.17 -1.96 -0.11 0.00 0.00 0.00 0.00 46.02 43.77 2dgx n GLY 549 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dgx s SER 550 N 0.00 0.01 -0.17 1.61 0.01 -1.26 -4.64 113.70 109.26 2dgx s SER 550 Ca 0.00 -0.11 -0.07 0.00 1.31 0.00 0.00 55.95 57.08 2dgx s SER 550 Cb 0.00 0.21 -0.04 0.00 0.21 0.00 0.00 66.02 66.41 2dgx s SER 550 CO 0.00 -0.28 0.06 -0.55 0.41 0.00 0.00 173.24 172.88 2dgx s SER 551 N -1.01 5.64 0.02 2.44 0.15 -1.26 -5.04 113.70 114.65 2dgx s SER 551 Ca -0.11 0.12 -0.06 0.00 0.70 0.00 0.00 55.95 56.60 2dgx s SER 551 Cb -0.06 -1.92 -0.03 0.00 -1.71 0.00 0.00 66.02 62.31 2dgx s SER 551 CO 0.01 0.22 1.10 1.23 1.20 0.00 0.00 173.24 176.99 2dgx h GLY 552 N 6.37 -1.23 -7.52 9.45 0.00 -2.00 -3.38 103.07 104.76 2dgx h GLY 552 Ca -0.40 0.55 -0.71 0.00 0.00 0.00 0.00 47.33 46.77 2dgx h GLY 552 CO 0.68 -0.44 -0.50 -1.31 0.00 0.00 0.00 176.54 174.96 2dgx s ASN 553 N -2.84 5.58 0.00 0.19 0.01 -1.26 -4.55 114.94 112.08 2dgx s ASN 553 Ca -0.03 -1.35 0.00 0.00 -0.71 0.00 0.00 52.86 50.77 2dgx s ASN 553 Cb 0.01 -1.97 0.00 0.00 0.41 0.00 0.00 41.25 39.70 2dgx s ASN 553 CO 0.11 -0.47 0.00 0.61 -1.51 0.00 0.00 177.10 175.84 2dgx n GLY 554 N 4.90 0.63 2.82 0.66 0.00 -1.26 -5.13 105.19 107.81 2dgx n GLY 554 Ca -0.11 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.00 1.83 -0.26 4.61 0.00 -1.19 -4.57 121.76 120.18 2dgx s ALA 555 Ca 0.00 -1.73 -0.18 0.00 0.00 0.00 0.00 51.96 50.05 2dgx s ALA 555 Cb 0.00 -1.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 2dgx s ALA 555 CO 0.00 -1.57 0.52 -0.51 0.00 0.00 0.00 175.76 174.20 2dgx s ASP 556 N 1.46 6.44 -0.43 0.00 1.11 -1.26 -0.30 116.67 123.69 2dgx s ASP 556 Ca 0.07 0.53 -0.13 0.00 0.18 0.00 0.00 52.55 53.19 2dgx s ASP 556 Cb -0.18 -2.28 0.05 0.00 1.07 0.00 0.00 42.92 41.58 2dgx s ASP 556 CO -0.18 -0.29 0.31 -0.69 1.18 0.00 0.00 175.17 175.50 2dgx s VAL 557 N 2.31 4.93 -0.18 -1.27 1.01 -0.24 -1.98 120.40 124.98 2dgx s VAL 557 Ca 0.21 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 60.93 2dgx s VAL 557 Cb -0.16 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 2dgx s VAL 557 CO 0.09 -0.42 1.36 -1.10 0.00 0.00 0.00 175.10 175.03 2dgx s GLN 558 N 1.60 4.11 -0.20 2.72 -1.52 0.20 -0.62 119.66 125.96 2dgx s GLN 558 Ca 0.04 1.65 -0.04 0.00 -1.95 0.00 0.00 55.36 55.05 2dgx s GLN 558 Cb -0.22 -3.85 -0.02 0.00 -0.22 0.00 0.00 33.01 28.71 2dgx s GLN 558 CO 0.07 -0.87 -0.03 0.08 -0.25 0.00 0.00 175.29 174.29 2dgx s VAL 559 N 3.93 3.69 0.27 1.09 1.01 0.94 -1.16 120.40 130.17 2dgx s VAL 559 Ca 0.59 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 62.20 2dgx s VAL 559 Cb -0.22 -2.66 -0.06 0.00 0.00 0.00 0.00 36.38 33.44 2dgx s VAL 559 CO 0.20 0.44 0.03 -0.44 0.00 0.00 0.00 175.10 175.33 2dgx s SER 560 N 1.03 1.97 -0.93 3.32 0.01 -0.84 -0.82 113.70 117.44 2dgx s SER 560 Ca 0.01 -1.30 -0.05 0.00 1.31 0.00 0.00 55.95 55.92 2dgx s SER 560 Cb -0.15 -0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.08 2dgx s SER 560 CO 0.01 -0.57 0.81 -3.20 0.41 0.00 0.00 173.24 170.69 2dgx n ASN 561 N -0.53 -4.35 -4.65 2.44 5.15 -1.25 -0.39 115.26 111.68 2dgx n ASN 561 Ca -0.03 -0.39 -0.40 0.00 -0.60 0.00 0.00 54.58 53.15 2dgx n ASN 561 Cb 0.65 -3.72 -0.06 0.00 -0.53 0.00 0.00 39.78 36.12 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 -3.23 5.03 -0.72 -1.44 1.01 -1.22 -3.57 121.20 117.06 2dgx s ILE 562 Ca 0.31 1.13 -0.25 0.00 0.00 0.00 0.00 60.65 61.84 2dgx s ILE 562 Cb -0.14 -3.92 -0.15 0.00 0.01 0.00 0.00 42.46 38.27 2dgx s ILE 562 CO 0.51 0.11 2.42 -0.90 0.00 0.00 0.00 174.94 177.09 2dgx n ASP 563 N 5.11 1.46 0.15 3.58 5.68 -1.26 -4.60 116.55 126.67 2dgx n ASP 563 Ca -0.02 -0.83 0.18 0.00 -0.50 0.00 0.00 54.79 53.61 2dgx n ASP 563 Cb 0.50 -1.43 0.77 0.00 -1.14 0.00 0.00 41.12 39.82 2dgx n ASP 563 CO 0.00 0.00 0.00 0.10 -1.33 0.00 0.00 177.20 175.97 2dgx h TYR 564 N 15.10 0.00 -0.72 2.11 -0.00 -1.91 -2.54 116.97 129.00 2dgx h TYR 564 Ca -0.09 0.00 0.13 0.00 -0.00 0.00 0.00 58.73 58.77 2dgx h TYR 564 Cb 1.15 0.00 -0.13 0.00 -0.00 0.00 0.00 36.73 37.75 2dgx h TYR 564 CO 1.10 0.00 -0.31 0.00 -0.00 0.00 0.00 178.16 178.95 2dgx h ARG 565 N 0.00 -0.09 -6.98 0.10 3.08 -1.95 -3.41 114.38 105.14 2dgx h ARG 565 Ca 0.13 0.01 -0.45 0.00 0.07 0.00 0.00 59.98 59.73 2dgx h ARG 565 Cb 0.65 0.02 0.22 0.00 0.08 0.00 0.00 29.97 30.94 2dgx h ARG 565 CO -0.00 -0.06 -0.35 1.28 -1.07 0.00 0.00 179.97 179.77 2dgx n LEU 566 N -5.46 -1.35 -4.72 3.04 4.77 -0.96 -4.94 117.00 107.38 2dgx n LEU 566 Ca 0.07 -0.09 -0.40 0.00 -0.03 0.00 0.00 56.01 55.56 2dgx n LEU 566 Cb 0.38 -1.18 -0.04 0.00 -2.33 0.00 0.00 43.42 40.24 2dgx n LEU 566 CO -0.03 -3.18 0.49 -0.44 -1.33 0.00 0.00 177.39 172.90 2dgx s SER 567 N -2.23 7.13 0.20 -1.43 0.01 -1.26 -4.91 113.70 111.21 2dgx s SER 567 Ca 0.64 1.36 -0.22 0.00 1.31 0.00 0.00 55.95 59.04 2dgx s SER 567 Cb -0.21 -2.47 0.12 0.00 0.21 0.00 0.00 66.02 63.67 2dgx s SER 567 CO 0.65 -0.15 1.50 0.54 0.41 0.00 0.00 173.24 176.19 2dgx n ARG 568 N 3.75 -0.30 -0.10 12.44 1.74 -1.26 0.19 116.66 133.12 2dgx n ARG 568 Ca 0.01 1.48 0.15 0.00 -0.77 0.00 0.00 57.85 58.72 2dgx n ARG 568 Cb 0.51 -2.19 0.54 0.00 -1.02 0.00 0.00 32.46 30.30 2dgx n ARG 568 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2dgx h LYS 569 N 0.00 0.31 0.00 5.56 1.57 -2.00 0.35 116.57 122.37 2dgx h LYS 569 Ca 0.27 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2dgx h LYS 569 Cb 0.51 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2dgx h LYS 569 CO -0.94 0.21 -0.16 1.49 -0.57 0.00 0.00 179.45 179.47 2dgx h GLU 570 N 0.32 0.00 0.15 3.15 4.81 0.18 -3.08 114.58 120.12 2dgx h GLU 570 Ca 0.31 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.22 2dgx h GLU 570 Cb 0.76 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.14 2dgx h GLU 570 CO -0.08 0.00 -1.61 -0.07 -0.73 0.00 0.00 179.01 176.52 2dgx h LEU 571 N 0.00 0.50 -0.79 1.64 3.38 0.37 -3.03 115.31 117.37 2dgx h LEU 571 Ca 0.00 -0.90 -0.09 0.00 0.09 0.00 0.00 57.88 56.98 2dgx h LEU 571 Cb 0.87 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 2dgx h LEU 571 CO 0.00 1.72 -0.07 0.06 0.09 0.00 0.00 178.44 180.24 2dgx h GLN 572 N -0.08 0.84 -0.16 1.13 3.07 -1.01 -1.68 115.11 117.21 2dgx h GLN 572 Ca -0.33 -0.27 -0.07 0.00 0.09 0.00 0.00 58.65 58.07 2dgx h GLN 572 Cb 1.94 -0.08 -0.00 0.00 0.08 0.00 0.00 27.48 29.42 2dgx h GLN 572 CO 0.12 0.89 -0.16 -0.56 0.09 0.00 0.00 178.83 179.20 2dgx h GLN 573 N 0.76 0.40 0.69 0.06 3.07 -1.68 -2.66 115.11 115.76 2dgx h GLN 573 Ca 0.13 -0.21 -0.03 0.00 0.09 0.00 0.00 58.65 58.63 2dgx h GLN 573 Cb 0.56 0.01 0.01 0.00 0.08 0.00 0.00 27.48 28.14 2dgx h GLN 573 CO 0.03 0.77 -0.34 -0.07 0.09 0.00 0.00 178.83 179.32 2dgx h LEU 574 N 0.04 -0.80 -0.49 0.06 3.38 -1.46 -1.53 115.31 114.52 2dgx h LEU 574 Ca 0.03 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.12 2dgx h LEU 574 Cb 0.70 0.21 -0.10 0.00 0.09 0.00 0.00 40.66 41.55 2dgx h LEU 574 CO 0.04 -0.57 -0.22 -0.07 0.09 0.00 0.00 178.44 177.71 2dgx h LEU 575 N -0.94 -0.75 -0.90 1.67 3.38 -1.39 0.68 115.31 117.06 2dgx h LEU 575 Ca -0.09 0.18 0.09 0.00 0.09 0.00 0.00 57.88 58.14 2dgx h LEU 575 Cb 0.72 0.41 -0.07 0.00 0.09 0.00 0.00 40.66 41.81 2dgx h LEU 575 CO 0.15 -0.24 0.55 -0.61 0.09 0.00 0.00 178.44 178.38 2dgx h GLN 576 N -0.11 0.90 0.06 1.13 4.15 -1.37 -1.68 115.11 118.20 2dgx h GLN 576 Ca 0.23 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.59 2dgx h GLN 576 Cb 0.46 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.95 2dgx h GLN 576 CO -0.56 0.60 -0.03 0.93 -1.93 0.00 0.00 178.83 177.83 2dgx h GLU 577 N 0.93 -0.08 -0.03 1.69 5.08 0.15 0.13 114.58 122.45 2dgx h GLU 577 Ca 0.43 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.82 2dgx h GLU 577 Cb 0.34 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 2dgx h GLU 577 CO -0.23 -0.05 -0.16 0.00 -1.00 0.00 0.00 179.01 177.57 2dgx h ALA 578 N 0.86 -0.16 -0.11 3.43 0.00 -0.64 -1.55 119.26 121.09 2dgx h ALA 578 Ca -0.01 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2dgx h ALA 578 Cb 0.07 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2dgx h ALA 578 CO 0.01 -0.64 -0.07 0.74 0.00 0.00 0.00 179.25 179.29 2dgx h PHE 579 N -0.25 0.16 -0.47 0.00 0.04 -1.21 -2.62 116.94 112.59 2dgx h PHE 579 Ca 0.06 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 2dgx h PHE 579 Cb 0.33 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 2dgx h PHE 579 CO -0.23 0.24 0.27 0.00 -0.60 0.00 0.00 178.31 177.99 2dgx h ALA 580 N 1.78 0.60 0.00 2.45 0.00 0.24 -1.29 119.26 123.04 2dgx h ALA 580 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2dgx h ALA 580 Cb 0.23 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2dgx h ALA 580 CO 0.01 0.11 0.20 0.00 0.00 0.00 0.00 179.25 179.58 2dgx h ARG 581 N 0.63 0.00 0.00 0.00 3.08 -1.00 -2.90 114.38 114.19 2dgx h ARG 581 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2dgx h ARG 581 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2dgx h ARG 581 CO -0.03 0.00 -0.52 0.72 -1.07 0.00 0.00 179.97 179.07 2dgx n HIS 582 N -2.55 0.37 0.00 3.04 8.25 -0.57 -5.09 115.22 118.66 2dgx n HIS 582 Ca -0.02 0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 2dgx n HIS 582 Cb 0.24 -0.50 0.00 0.00 1.12 0.00 0.00 29.99 30.85 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 1.57 3.70 2.85 -1.41 0.00 -0.69 -5.06 105.19 106.16 2dgx n GLY 583 Ca -0.07 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 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 3.51 1.11 0.04 1.61 2.47 -1.26 -4.60 119.74 122.61 2dgx s LYS 584 Ca 0.00 -1.19 -0.30 0.00 -1.56 0.00 0.00 55.97 52.92 2dgx s LYS 584 Cb 0.00 -2.43 -0.09 0.00 -1.46 0.00 0.00 37.83 33.85 2dgx s LYS 584 CO 0.00 -0.86 1.90 0.08 0.16 0.00 0.00 175.35 176.63 2dgx s VAL 585 N 1.41 3.00 -0.10 4.02 1.01 -1.26 -2.10 120.40 126.38 2dgx s VAL 585 Ca 0.05 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 2dgx s VAL 585 Cb -0.18 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 2dgx s VAL 585 CO -0.15 -0.01 0.03 0.50 0.00 0.00 0.00 175.10 175.47 2dgx h LYS 586 N 10.04 0.00 -3.65 2.72 1.63 -0.66 -3.46 116.57 123.19 2dgx h LYS 586 Ca -0.48 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.26 2dgx h LYS 586 Cb 1.23 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.77 2dgx h LYS 586 CO 0.94 0.05 -0.11 -1.54 -3.45 0.00 0.00 179.45 175.34 2dgx s SER 587 N -5.59 -0.06 -0.07 4.20 1.04 -1.01 -4.98 113.70 107.23 2dgx s SER 587 Ca -0.01 -0.95 -0.01 0.00 0.48 0.00 0.00 55.95 55.46 2dgx s SER 587 Cb -0.00 0.59 0.03 0.00 0.10 0.00 0.00 66.02 66.74 2dgx s SER 587 CO 0.04 -1.15 -0.02 -0.69 0.98 0.00 0.00 173.24 172.39 2dgx s VAL 588 N -3.96 0.54 -0.05 5.02 1.01 -1.26 -0.60 120.40 121.10 2dgx s VAL 588 Ca 0.23 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.21 2dgx s VAL 588 Cb -0.01 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 2dgx s VAL 588 CO 0.09 0.27 -0.08 -1.61 0.00 0.00 0.00 175.10 173.78 2dgx s GLU 589 N 1.68 2.66 0.08 2.72 0.41 0.09 -4.98 118.70 121.36 2dgx s GLU 589 Ca 0.01 -0.61 0.08 0.00 -0.41 0.00 0.00 54.97 54.04 2dgx s GLU 589 Cb -0.13 -2.54 -0.04 0.00 -1.78 0.00 0.00 34.13 29.65 2dgx s GLU 589 CO -0.04 0.64 -0.20 -0.51 -0.49 0.00 0.00 175.26 174.66 2dgx s LEU 590 N -0.97 2.57 0.36 1.80 1.43 -1.26 -0.96 118.68 121.65 2dgx s LEU 590 Ca 0.14 -0.52 -0.13 0.00 -1.03 0.00 0.00 54.13 52.59 2dgx s LEU 590 Cb -0.11 -1.48 -0.08 0.00 0.03 0.00 0.00 46.19 44.55 2dgx s LEU 590 CO 0.03 0.22 0.75 -0.44 0.23 0.00 0.00 176.35 177.14 2dgx s SER 591 N -1.73 6.66 0.00 2.29 0.01 -0.67 -4.94 113.70 115.33 2dgx s SER 591 Ca 0.15 1.22 0.15 0.00 1.31 0.00 0.00 55.95 58.78 2dgx s SER 591 Cb -0.10 -2.35 0.70 0.00 0.21 0.00 0.00 66.02 64.48 2dgx s SER 591 CO 0.07 -0.29 1.42 -0.81 0.41 0.00 0.00 173.24 174.04 2dgx n PRO 592 N -0.78 0.15 -2.48 12.44 -0.04 -1.26 -4.75 135.00 138.28 2dgx n PRO 592 Ca 0.03 0.18 -0.41 0.00 -0.04 0.00 0.00 63.50 63.26 2dgx n PRO 592 Cb 0.53 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.46 2dgx n PRO 592 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2dgx s HIS 593 N -2.70 3.53 -0.20 0.54 3.76 -1.26 -4.94 115.29 114.02 2dgx s HIS 593 Ca 0.12 1.49 0.14 0.00 -0.15 0.00 0.00 55.06 56.66 2dgx s HIS 593 Cb 0.10 -3.33 0.43 0.00 1.11 0.00 0.00 32.58 30.88 2dgx s HIS 593 CO 0.24 -0.86 1.30 -2.37 -0.85 0.00 0.00 174.74 172.20 2dgx n THR 594 N 2.89 2.23 -4.27 1.30 5.66 -1.26 -4.61 114.28 116.22 2dgx n THR 594 Ca 0.05 -2.63 -0.14 0.00 -3.05 0.00 0.00 64.05 58.28 2dgx n THR 594 Cb 0.46 -0.26 -0.04 0.00 -1.55 0.00 0.00 70.33 68.94 2dgx n THR 594 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2dgx n ASP 595 N -1.11 1.09 0.31 1.09 5.68 -1.26 -4.98 116.55 117.36 2dgx n ASP 595 Ca 0.22 -2.17 0.09 0.00 -0.50 0.00 0.00 54.79 52.44 2dgx n ASP 595 Cb 0.80 0.56 0.46 0.00 -1.14 0.00 0.00 41.12 41.80 2dgx n ASP 595 CO 0.00 0.00 0.00 0.10 -1.33 0.00 0.00 177.20 175.97 2dgx h TYR 596 N 1.36 0.00 -0.43 2.11 -0.00 -1.95 0.45 116.97 118.50 2dgx h TYR 596 Ca -0.17 0.00 -0.23 0.00 -0.00 0.00 0.00 58.73 58.33 2dgx h TYR 596 Cb 0.65 0.00 -0.13 0.00 -0.00 0.00 0.00 36.73 37.25 2dgx h TYR 596 CO 0.00 0.00 0.30 1.04 -0.00 0.00 0.00 178.16 179.50 2dgx n GLN 597 N -2.76 1.56 -2.73 0.10 6.02 -1.26 -4.75 117.38 113.56 2dgx n GLN 597 Ca -0.00 -1.32 -0.41 0.00 -0.01 0.00 0.00 57.00 55.26 2dgx n GLN 597 Cb 0.68 -1.52 -0.04 0.00 1.02 0.00 0.00 30.24 30.39 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 -1.45 4.47 0.00 1.08 2.96 0.16 -4.76 118.68 121.13 2dgx s LEU 598 Ca 0.25 1.76 0.05 0.00 -0.22 0.00 0.00 54.13 55.97 2dgx s LEU 598 Cb 0.21 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.31 2dgx s LEU 598 CO 0.04 -0.10 0.19 0.29 -1.32 0.00 0.00 176.35 175.45 2dgx n LYS 599 N 3.01 0.53 -3.70 1.98 5.02 -1.26 -3.40 118.16 120.33 2dgx n LYS 599 Ca 0.03 -3.52 -0.03 0.00 -2.02 0.00 0.00 58.31 52.77 2dgx n LYS 599 Cb 0.50 2.15 -0.01 0.00 -0.02 0.00 0.00 35.03 37.65 2dgx n LYS 599 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dgx s ALA 600 N -3.20 -1.79 -0.18 7.82 0.00 0.00 -1.66 121.76 122.74 2dgx s ALA 600 Ca 0.26 0.37 -0.04 0.00 0.00 0.00 0.00 51.96 52.55 2dgx s ALA 600 Cb 0.01 0.54 0.06 0.00 0.00 0.00 0.00 23.12 23.74 2dgx s ALA 600 CO 0.19 -1.00 0.06 0.08 0.00 0.00 0.00 175.76 175.09 2dgx s VAL 601 N -3.08 0.19 -0.42 0.00 1.01 -0.14 -0.04 120.40 117.93 2dgx s VAL 601 Ca 0.12 -0.32 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 2dgx s VAL 601 Cb -0.00 -0.76 0.02 0.00 0.00 0.00 0.00 36.38 35.63 2dgx s VAL 601 CO -0.00 -0.23 0.52 -0.69 0.00 0.00 0.00 175.10 174.69 2dgx s VAL 602 N 2.01 4.99 0.23 2.92 1.01 0.21 -0.73 120.40 131.05 2dgx s VAL 602 Ca 0.01 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 2dgx s VAL 602 Cb -0.16 -4.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.04 2dgx s VAL 602 CO -0.08 -0.45 0.91 -1.58 0.00 0.00 0.00 175.10 173.90 2dgx s GLN 603 N 2.41 4.79 0.06 2.72 2.00 0.24 -1.08 119.66 130.80 2dgx s GLN 603 Ca 0.17 1.42 0.09 0.00 -2.00 0.00 0.00 55.36 55.04 2dgx s GLN 603 Cb -0.16 -3.24 -0.03 0.00 0.80 0.00 0.00 33.01 30.38 2dgx s GLN 603 CO 0.15 0.51 -0.26 -1.64 -0.50 0.00 0.00 175.29 173.55 2dgx s MET 604 N -1.25 1.67 0.06 1.67 -1.94 0.59 0.06 119.30 120.16 2dgx s MET 604 Ca 0.41 -1.15 -0.35 0.00 -1.71 0.00 0.00 55.69 52.89 2dgx s MET 604 Cb -0.25 -1.91 -0.20 0.00 2.01 0.00 0.00 34.83 34.49 2dgx s MET 604 CO 0.30 0.48 1.55 0.93 -0.01 0.00 0.00 175.02 178.28 2dgx h GLU 605 N 4.60 -1.10 -6.17 2.03 4.39 -1.73 -3.15 114.58 113.44 2dgx h GLU 605 Ca -0.47 0.08 -0.58 0.00 0.34 0.00 0.00 59.36 58.73 2dgx h GLU 605 Cb 1.15 0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 30.01 2dgx h GLU 605 CO 0.43 -0.73 -0.29 1.21 -1.16 0.00 0.00 179.01 178.46 2dgx s ASN 606 N -4.20 6.52 -0.01 1.42 2.47 -1.26 -4.62 114.94 115.25 2dgx s ASN 606 Ca -0.19 0.64 -0.22 0.00 0.42 0.00 0.00 52.86 53.51 2dgx s ASN 606 Cb 0.02 -2.11 -0.13 0.00 -1.45 0.00 0.00 41.25 37.58 2dgx s ASN 606 CO 0.59 0.06 0.96 0.25 -3.72 0.00 0.00 177.10 175.25 2dgx h LEU 607 N 2.94 -0.52 -0.51 3.21 7.12 -1.88 -3.24 115.31 122.42 2dgx h LEU 607 Ca -0.46 -0.07 0.10 0.00 0.13 0.00 0.00 57.88 57.58 2dgx h LEU 607 Cb 1.17 0.13 -0.10 0.00 -0.53 0.00 0.00 40.66 41.33 2dgx h LEU 607 CO 0.71 -0.11 -0.16 -0.61 -0.13 0.00 0.00 178.44 178.14 2dgx h GLN 608 N -1.06 -0.04 -1.23 1.25 4.15 -1.99 0.13 115.11 116.32 2dgx h GLN 608 Ca -0.06 0.00 0.40 0.00 0.77 0.00 0.00 58.65 59.76 2dgx h GLN 608 Cb 0.56 0.01 -0.13 0.00 0.21 0.00 0.00 27.48 28.13 2dgx h GLN 608 CO 0.10 -0.03 0.78 -0.44 -1.93 0.00 0.00 178.83 177.32 2dgx h ASP 609 N -0.04 0.30 -0.01 -0.69 3.32 -1.98 0.27 116.42 117.58 2dgx h ASP 609 Ca 0.24 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.42 2dgx h ASP 609 Cb 0.41 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2dgx h ASP 609 CO -0.55 -0.15 -0.05 0.00 -1.72 0.00 0.00 179.24 176.78 2dgx h ALA 610 N 1.64 0.03 -0.71 3.45 0.00 -0.77 -2.62 119.26 120.28 2dgx h ALA 610 Ca 0.78 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 55.42 2dgx h ALA 610 Cb 2.31 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 20.01 2dgx h ALA 610 CO -0.43 -0.13 -0.42 -0.89 0.00 0.00 0.00 179.25 177.38 2dgx n ILE 611 N -4.74 -0.49 -0.04 0.00 5.41 0.92 -0.44 119.36 119.99 2dgx n ILE 611 Ca -0.09 2.12 -0.11 0.00 1.00 0.00 0.00 62.75 65.67 2dgx n ILE 611 Cb 0.34 -2.66 -0.05 0.00 -0.71 0.00 0.00 39.64 36.56 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 0.25 -0.27 7.39 0.00 -1.64 -2.55 103.07 106.25 2dgx h GLY 612 Ca 0.11 -0.13 0.31 0.00 0.00 0.00 0.00 47.33 47.63 2dgx h GLY 612 CO -0.67 0.12 0.78 0.00 0.00 0.00 0.00 176.54 176.77 2dgx h ALA 613 N 0.93 2.80 0.12 3.60 0.00 -0.77 0.24 119.26 126.17 2dgx h ALA 613 Ca 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2dgx h ALA 613 Cb 0.14 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2dgx h ALA 613 CO -0.01 -1.16 -0.06 0.28 0.00 0.00 0.00 179.25 178.31 2dgx h VAL 614 N 0.13 0.00 -0.07 0.00 2.07 -0.34 0.24 116.25 118.29 2dgx h VAL 614 Ca 0.57 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.88 2dgx h VAL 614 Cb 1.98 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2dgx h VAL 614 CO -0.11 0.00 0.33 0.78 0.02 0.00 0.00 177.57 178.58 2dgx h ASN 615 N -0.39 0.00 0.00 0.57 2.35 -1.21 0.65 115.58 117.55 2dgx h ASN 615 Ca -0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2dgx h ASN 615 Cb 0.12 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 2dgx h ASN 615 CO 0.03 0.00 -0.42 0.28 -1.65 0.00 0.00 177.43 175.67 2dgx h SER 616 N 0.00 0.00 0.38 5.81 0.02 -0.58 -3.36 113.55 115.82 2dgx h SER 616 Ca 0.03 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2dgx h SER 616 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 2dgx h SER 616 CO -0.00 0.72 0.00 0.18 -1.14 0.00 0.00 176.83 176.59 2dgx n LEU 617 N -4.65 0.37 -4.65 5.07 4.77 0.84 -4.78 117.00 113.96 2dgx n LEU 617 Ca -0.06 0.62 -0.58 0.00 -0.03 0.00 0.00 56.01 55.96 2dgx n LEU 617 Cb 0.22 -0.60 -0.07 0.00 -2.33 0.00 0.00 43.42 40.63 2dgx n LEU 617 CO 0.09 -0.57 1.08 1.57 -1.33 0.00 0.00 177.39 178.23 2dgx n HIS 618 N -1.94 1.67 -2.94 -1.77 -0.00 0.22 0.45 115.22 110.93 2dgx n HIS 618 Ca 0.01 0.72 -0.20 0.00 0.46 0.00 0.00 57.72 58.71 2dgx n HIS 618 Cb 0.13 -2.34 0.03 0.00 -0.12 0.00 0.00 29.99 27.69 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 3.81 -4.43 -1.87 1.57 5.12 0.20 -4.89 116.66 116.17 2dgx n ARG 619 Ca 0.24 0.84 -0.43 0.00 -1.93 0.00 0.00 57.85 56.57 2dgx n ARG 619 Cb 0.11 -5.53 -0.03 0.00 -1.16 0.00 0.00 32.46 25.85 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 -3.12 1.63 -0.84 -1.55 5.04 0.17 -4.64 117.35 114.03 2dgx s TYR 620 Ca 0.27 0.45 -0.21 0.00 -2.44 0.00 0.00 57.07 55.15 2dgx s TYR 620 Cb -0.12 -4.04 -0.20 0.00 0.35 0.00 0.00 41.96 37.95 2dgx s TYR 620 CO 0.34 -3.60 2.28 1.17 -1.34 0.00 0.00 175.55 174.40 2dgx n LYS 621 N 8.23 0.36 -4.31 4.97 0.00 -1.26 -3.07 118.16 123.07 2dgx n LYS 621 Ca 0.24 -0.66 -0.25 0.00 0.00 0.00 0.00 58.31 57.63 2dgx n LYS 621 Cb 0.45 -2.91 -0.09 0.00 0.00 0.00 0.00 35.03 32.49 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 10.61 3.23 0.00 3.15 1.01 -1.13 -5.02 121.20 133.06 2dgx s ILE 622 Ca 1.00 -1.82 0.00 0.00 0.00 0.00 0.00 60.65 59.83 2dgx s ILE 622 Cb -0.32 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.49 2dgx s ILE 622 CO 0.22 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.53 2dgx n GLY 623 N -0.38 1.43 0.01 6.18 0.00 -1.26 -1.13 105.19 110.03 2dgx n GLY 623 Ca -0.09 0.34 0.01 0.00 0.00 0.00 0.00 46.02 46.28 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 2.18 1.93 -3.96 1.61 7.64 -1.26 -5.03 113.62 116.72 2dgx n SER 624 Ca 0.00 -2.05 -0.09 0.00 1.01 0.00 0.00 58.87 57.74 2dgx n SER 624 Cb 0.00 -0.04 -0.10 0.00 -1.01 0.00 0.00 64.21 63.06 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 -1.11 0.42 -0.44 1.43 1.02 -0.29 -5.01 119.74 115.76 2dgx s LYS 625 Ca 0.03 -0.65 -0.23 0.00 0.02 0.00 0.00 55.97 55.14 2dgx s LYS 625 Cb 0.02 0.16 0.02 0.00 -0.52 0.00 0.00 37.83 37.51 2dgx s LYS 625 CO 0.00 -0.08 0.79 0.15 -0.92 0.00 0.00 175.35 175.29 2dgx s LYS 626 N -1.86 3.47 0.42 1.68 3.01 -1.26 -2.83 119.74 122.36 2dgx s LYS 626 Ca -0.12 -0.02 -0.24 0.00 -1.01 0.00 0.00 55.97 54.58 2dgx s LYS 626 Cb -0.06 -3.92 -0.08 0.00 -1.01 0.00 0.00 37.83 32.76 2dgx s LYS 626 CO -0.02 -1.08 1.18 0.96 0.51 0.00 0.00 175.35 176.89 2dgx s ILE 627 N 3.29 3.10 -0.27 2.17 -4.36 -1.18 -4.77 121.20 119.18 2dgx s ILE 627 Ca 0.31 0.89 -0.02 0.00 -0.26 0.00 0.00 60.65 61.57 2dgx s ILE 627 Cb -0.12 -3.49 0.04 0.00 1.25 0.00 0.00 42.46 40.14 2dgx s ILE 627 CO 0.22 0.05 -0.03 -0.76 0.24 0.00 0.00 174.94 174.66 2dgx s LEU 628 N -2.68 3.53 0.19 0.37 1.43 0.48 0.61 118.68 122.62 2dgx s LEU 628 Ca 0.59 -1.07 -0.18 0.00 -1.03 0.00 0.00 54.13 52.45 2dgx s LEU 628 Cb -0.30 -1.69 -0.08 0.00 0.03 0.00 0.00 46.19 44.15 2dgx s LEU 628 CO 0.38 -0.19 0.66 -0.69 0.23 0.00 0.00 176.35 176.74 2dgx s VAL 629 N 1.29 4.67 -0.24 -1.59 1.01 -1.26 -1.98 120.40 122.29 2dgx s VAL 629 Ca -0.03 1.13 -0.19 0.00 0.00 0.00 0.00 61.98 62.90 2dgx s VAL 629 Cb -0.18 -3.82 0.07 0.00 0.00 0.00 0.00 36.38 32.45 2dgx s VAL 629 CO -0.03 0.23 0.62 -0.94 0.00 0.00 0.00 175.10 174.98 2dgx s SER 630 N -1.66 -0.73 0.79 3.32 1.04 -0.31 -4.84 113.70 111.31 2dgx s SER 630 Ca 0.41 1.31 -0.11 0.00 0.48 0.00 0.00 55.95 58.04 2dgx s SER 630 Cb -0.16 1.26 0.07 0.00 0.10 0.00 0.00 66.02 67.29 2dgx s SER 630 CO 0.20 -0.22 1.09 -0.76 0.98 0.00 0.00 173.24 174.53 2dgx s LEU 631 N 0.86 2.95 0.36 2.42 1.43 -1.26 0.62 118.68 126.05 2dgx s LEU 631 Ca -0.04 1.80 0.03 0.00 -1.03 0.00 0.00 54.13 54.89 2dgx s LEU 631 Cb -0.05 -4.46 -0.05 0.00 0.03 0.00 0.00 46.19 41.66 2dgx s LEU 631 CO -0.07 -2.12 0.09 0.00 0.23 0.00 0.00 176.35 174.48 2dgx s ALA 632 N -2.90 2.57 0.87 4.21 0.00 -0.84 -4.68 121.76 121.00 2dgx s ALA 632 Ca 0.61 -1.68 -0.12 0.00 0.00 0.00 0.00 51.96 50.77 2dgx s ALA 632 Cb -0.17 0.71 0.08 0.00 0.00 0.00 0.00 23.12 23.74 2dgx s ALA 632 CO 0.56 -0.32 0.92 -2.37 0.00 0.00 0.00 175.76 174.55 2dgx n THR 633 N -0.77 0.86 0.00 0.00 5.66 -1.26 -4.74 114.28 114.02 2dgx n THR 633 Ca -0.04 -0.16 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 2dgx n THR 633 Cb 0.66 -0.94 0.00 0.00 -1.55 0.00 0.00 70.33 68.50 2dgx n THR 633 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2dgx n GLY 634 N 0.81 -1.22 3.76 1.09 0.00 -1.26 -4.66 105.19 103.71 2dgx n GLY 634 Ca 0.11 0.42 -0.36 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.82 2.56 -1.26 4.61 0.00 -1.26 -3.48 121.76 122.10 2dgx s ALA 635 Ca 0.00 0.94 -0.01 0.00 0.00 0.00 0.00 51.96 52.89 2dgx s ALA 635 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2dgx s ALA 635 CO 0.00 -1.11 0.89 0.43 0.00 0.00 0.00 175.76 175.97 2dgx n SER 636 N -1.61 -2.02 -4.83 0.00 7.64 -1.26 -4.97 113.62 106.58 2dgx n SER 636 Ca 0.13 -0.70 -0.35 0.00 1.01 0.00 0.00 58.87 58.96 2dgx n SER 636 Cb 0.50 -4.64 -0.06 0.00 -1.01 0.00 0.00 64.21 59.00 2dgx n SER 636 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dgx s GLY 637 N -4.27 2.50 0.54 0.23 0.00 -1.23 -4.97 107.32 100.13 2dgx s GLY 637 Ca 0.06 0.06 0.32 0.00 0.00 0.00 0.00 44.72 45.16 2dgx s GLY 637 CO 0.77 0.36 1.98 -0.56 0.00 0.00 0.00 173.10 175.65 2dgx h PRO 638 N 3.12 0.00 -0.32 2.90 0.13 -1.93 -3.31 132.00 132.59 2dgx h PRO 638 Ca -0.48 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.68 2dgx h PRO 638 Cb 1.19 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 2dgx h PRO 638 CO 0.66 0.04 -0.28 1.03 -0.23 0.00 0.00 178.00 179.22 2dgx h SER 639 N 0.00 -0.97 -6.70 1.44 0.87 -1.98 -3.44 113.55 102.76 2dgx h SER 639 Ca -0.00 0.14 -0.54 0.00 -1.23 0.00 0.00 61.79 60.15 2dgx h SER 639 Cb 0.52 0.41 -0.17 0.00 -0.44 0.00 0.00 62.40 62.72 2dgx h SER 639 CO 0.01 -0.16 -0.85 -1.54 -0.53 0.00 0.00 176.83 173.75 2dgx n SER 640 N -4.05 -2.35 0.00 6.23 3.41 -1.25 -5.27 113.62 110.35 2dgx n SER 640 Ca -0.01 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 57.58 2dgx n SER 640 Cb 0.15 -2.78 0.00 0.00 -0.26 0.00 0.00 64.21 61.32 2dgx n SER 640 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49