#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dgx s SER 547 N 0.00 0.35 -0.01 1.61 0.15 -1.26 -5.09 113.70 109.46 2dgx s SER 547 Ca 0.00 -1.13 -0.02 0.00 0.70 0.00 0.00 55.95 55.50 2dgx s SER 547 Cb 0.00 0.27 -0.01 0.00 -1.71 0.00 0.00 66.02 64.57 2dgx s SER 547 CO 0.00 -0.70 -0.05 -0.24 1.20 0.00 0.00 173.24 173.46 2dgx n SER 548 N -0.04 0.54 0.00 5.45 2.88 -1.26 -5.16 113.62 116.04 2dgx n SER 548 Ca -0.08 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2dgx n SER 548 Cb 0.63 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 2dgx n SER 548 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dgx n GLY 549 N 2.91 -0.45 3.00 0.46 0.00 -1.26 -4.86 105.19 104.99 2dgx n GLY 549 Ca -0.05 -1.73 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 2dgx n GLY 549 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dgx s SER 550 N -2.64 4.63 -0.34 1.61 1.04 -1.26 -5.07 113.70 111.67 2dgx s SER 550 Ca 0.00 -2.85 -0.29 0.00 0.48 0.00 0.00 55.95 53.30 2dgx s SER 550 Cb 0.00 -1.70 -0.00 0.00 0.10 0.00 0.00 66.02 64.42 2dgx s SER 550 CO 0.00 -0.29 1.51 -0.44 0.98 0.00 0.00 173.24 175.00 2dgx s SER 551 N 0.16 6.30 0.00 7.02 0.01 -1.26 -4.32 113.70 121.61 2dgx s SER 551 Ca 0.16 1.12 0.00 0.00 1.31 0.00 0.00 55.95 58.54 2dgx s SER 551 Cb -0.24 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.46 2dgx s SER 551 CO -0.02 -1.41 0.00 0.61 0.41 0.00 0.00 173.24 172.83 2dgx n GLY 552 N 4.97 1.21 3.62 3.44 0.00 -1.26 -5.06 105.19 112.11 2dgx n GLY 552 Ca 0.18 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 2dgx n GLY 552 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dgx s ASN 553 N -4.00 6.04 0.00 1.61 0.01 -1.26 -4.70 114.94 112.64 2dgx s ASN 553 Ca 0.00 1.70 0.00 0.00 -0.71 0.00 0.00 52.86 53.85 2dgx s ASN 553 Cb 0.00 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.13 2dgx s ASN 553 CO 0.00 -1.53 0.00 0.61 -1.51 0.00 0.00 177.10 174.67 2dgx n GLY 554 N 5.12 4.32 2.94 0.66 0.00 -1.22 -4.94 105.19 112.08 2dgx n GLY 554 Ca 0.23 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.28 -0.28 -0.28 4.61 0.00 -0.83 -4.59 121.76 120.10 2dgx s ALA 555 Ca 0.00 0.66 -0.01 0.00 0.00 0.00 0.00 51.96 52.60 2dgx s ALA 555 Cb 0.00 -0.43 0.04 0.00 0.00 0.00 0.00 23.12 22.73 2dgx s ALA 555 CO 0.00 -0.15 -0.02 -0.51 0.00 0.00 0.00 175.76 175.08 2dgx s ASP 556 N 1.04 4.72 -0.46 0.00 1.01 -1.26 -0.43 116.67 121.30 2dgx s ASP 556 Ca -0.08 -1.18 -0.15 0.00 0.71 0.00 0.00 52.55 51.86 2dgx s ASP 556 Cb -0.10 -1.69 0.06 0.00 1.01 0.00 0.00 42.92 42.20 2dgx s ASP 556 CO -0.05 -0.22 0.36 -0.69 0.21 0.00 0.00 175.17 174.78 2dgx s VAL 557 N 1.26 5.14 -0.07 -1.27 1.01 0.00 -2.12 120.40 124.34 2dgx s VAL 557 Ca -0.04 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.62 2dgx s VAL 557 Cb -0.19 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 2dgx s VAL 557 CO -0.02 -0.52 1.40 -1.10 0.00 0.00 0.00 175.10 174.86 2dgx s GLN 558 N 1.63 4.24 -0.17 2.72 -1.52 0.23 -0.18 119.66 126.62 2dgx s GLN 558 Ca 0.04 1.90 -0.06 0.00 -1.95 0.00 0.00 55.36 55.29 2dgx s GLN 558 Cb -0.23 -3.74 -0.03 0.00 -0.22 0.00 0.00 33.01 28.78 2dgx s GLN 558 CO 0.07 -0.68 0.01 0.08 -0.25 0.00 0.00 175.29 174.52 2dgx s VAL 559 N 3.18 4.37 0.25 1.09 1.01 0.92 -1.26 120.40 129.96 2dgx s VAL 559 Ca 0.63 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.44 2dgx s VAL 559 Cb -0.28 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 2dgx s VAL 559 CO 0.23 0.48 0.06 -0.94 0.00 0.00 0.00 175.10 174.92 2dgx s SER 560 N 0.34 1.56 -1.31 3.32 1.04 -0.46 -1.99 113.70 116.21 2dgx s SER 560 Ca -0.00 -1.32 -0.03 0.00 0.48 0.00 0.00 55.95 55.08 2dgx s SER 560 Cb -0.13 0.08 0.01 0.00 0.10 0.00 0.00 66.02 66.08 2dgx s SER 560 CO 0.01 -0.64 0.88 -3.20 0.98 0.00 0.00 173.24 171.27 2dgx n ASN 561 N -0.47 -2.42 -4.82 7.02 5.15 -1.26 -0.29 115.26 118.17 2dgx n ASN 561 Ca -0.02 -0.72 -0.36 0.00 -0.60 0.00 0.00 54.58 52.88 2dgx n ASN 561 Cb 0.65 -4.47 -0.06 0.00 -0.53 0.00 0.00 39.78 35.37 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 -3.49 4.58 -1.30 -1.44 1.01 -1.25 -3.71 121.20 115.60 2dgx s ILE 562 Ca 0.14 1.24 -0.18 0.00 0.00 0.00 0.00 60.65 61.85 2dgx s ILE 562 Cb -0.07 -3.83 0.06 0.00 0.01 0.00 0.00 42.46 38.63 2dgx s ILE 562 CO 0.78 0.16 1.76 -0.90 0.00 0.00 0.00 174.94 176.74 2dgx n ASP 563 N 0.60 4.80 -0.18 3.58 5.75 -1.26 -4.76 116.55 125.07 2dgx n ASP 563 Ca -0.02 -2.90 0.29 0.00 -0.01 0.00 0.00 54.79 52.15 2dgx n ASP 563 Cb 0.51 -1.75 0.73 0.00 -1.03 0.00 0.00 41.12 39.58 2dgx n ASP 563 CO 0.00 0.00 0.00 0.10 -0.11 0.00 0.00 177.20 177.19 2dgx h TYR 564 N 7.68 0.00 -1.04 2.11 -0.00 -1.89 -0.24 116.97 123.58 2dgx h TYR 564 Ca 0.44 0.00 0.30 0.00 -0.00 0.00 0.00 58.73 59.47 2dgx h TYR 564 Cb 0.87 0.00 -0.13 0.00 -0.00 0.00 0.00 36.73 37.47 2dgx h TYR 564 CO 1.42 0.00 0.62 0.00 -0.00 0.00 0.00 178.16 180.20 2dgx h ARG 565 N 0.00 0.37 -7.43 0.10 2.47 -1.95 -3.41 114.38 104.53 2dgx h ARG 565 Ca 0.43 -0.02 -0.47 0.00 -1.26 0.00 0.00 59.98 58.66 2dgx h ARG 565 Cb 1.78 -0.08 0.13 0.00 -1.65 0.00 0.00 29.97 30.14 2dgx h ARG 565 CO -0.00 0.25 0.30 -0.51 0.56 0.00 0.00 179.97 180.56 2dgx s LEU 566 N -10.18 2.20 0.21 3.04 1.43 -0.10 -5.02 118.68 110.27 2dgx s LEU 566 Ca -0.10 1.16 -0.28 0.00 -1.03 0.00 0.00 54.13 53.89 2dgx s LEU 566 Cb 0.29 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.84 2dgx s LEU 566 CO 0.80 -2.42 0.87 -0.94 0.23 0.00 0.00 176.35 174.89 2dgx s SER 567 N -3.86 7.51 0.22 2.29 1.04 -1.26 -4.91 113.70 114.73 2dgx s SER 567 Ca 0.63 1.81 -0.16 0.00 0.48 0.00 0.00 55.95 58.70 2dgx s SER 567 Cb -0.15 -2.56 0.23 0.00 0.10 0.00 0.00 66.02 63.64 2dgx s SER 567 CO 0.54 0.16 1.58 0.03 0.98 0.00 0.00 173.24 176.54 2dgx h ARG 568 N 4.14 -0.06 -0.85 4.02 3.08 -1.95 0.67 114.38 123.42 2dgx h ARG 568 Ca -0.46 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.70 2dgx h ARG 568 Cb 1.20 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 31.20 2dgx h ARG 568 CO 0.67 -0.04 0.55 -0.22 -1.07 0.00 0.00 179.97 179.86 2dgx h LYS 569 N -0.07 0.77 0.00 0.04 3.64 -1.98 0.34 116.57 119.31 2dgx h LYS 569 Ca 0.32 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.61 2dgx h LYS 569 Cb 0.58 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2dgx h LYS 569 CO -0.81 0.51 -0.19 1.49 -2.27 0.00 0.00 179.45 178.18 2dgx h GLU 570 N 0.79 0.00 0.00 1.90 4.57 -0.15 -2.29 114.58 119.40 2dgx h GLU 570 Ca 0.40 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.57 2dgx h GLU 570 Cb 0.47 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.06 2dgx h GLU 570 CO -0.17 0.19 -0.38 -0.07 -1.18 0.00 0.00 179.01 177.40 2dgx h LEU 571 N 0.00 0.00 -2.16 1.64 3.38 0.16 -2.80 115.31 115.53 2dgx h LEU 571 Ca -0.00 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 57.98 2dgx h LEU 571 Cb 0.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2dgx h LEU 571 CO 0.02 0.72 0.24 0.06 0.09 0.00 0.00 178.44 179.58 2dgx h GLN 572 N -1.00 0.00 0.22 1.13 3.07 -0.58 0.93 115.11 118.88 2dgx h GLN 572 Ca -0.02 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.38 2dgx h GLN 572 Cb 0.41 0.00 0.03 0.00 0.08 0.00 0.00 27.48 27.99 2dgx h GLN 572 CO -0.01 0.00 -1.59 -0.56 0.09 0.00 0.00 178.83 176.76 2dgx h GLN 573 N 0.00 0.47 0.35 0.06 -0.00 -1.56 -3.18 115.11 111.25 2dgx h GLN 573 Ca 0.11 -0.80 -0.02 0.00 -0.00 0.00 0.00 58.65 57.94 2dgx h GLN 573 Cb 0.59 0.30 0.00 0.00 -0.00 0.00 0.00 27.48 28.38 2dgx h GLN 573 CO -0.00 1.38 -0.17 -0.07 -0.00 0.00 0.00 178.83 179.97 2dgx h LEU 574 N 0.11 -0.40 -0.82 0.06 3.38 -0.91 -2.71 115.31 114.01 2dgx h LEU 574 Ca -0.30 -0.16 0.18 0.00 0.09 0.00 0.00 57.88 57.70 2dgx h LEU 574 Cb 2.12 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 42.86 2dgx h LEU 574 CO 0.23 0.02 0.31 -0.07 0.09 0.00 0.00 178.44 179.01 2dgx h LEU 575 N -0.91 0.22 -0.97 1.67 3.38 -1.05 0.16 115.31 117.80 2dgx h LEU 575 Ca -0.05 0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.07 2dgx h LEU 575 Cb 0.53 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 2dgx h LEU 575 CO 0.08 0.02 0.64 -0.61 0.09 0.00 0.00 178.44 178.66 2dgx h GLN 576 N 0.38 1.28 0.26 1.13 4.15 -1.56 -2.17 115.11 118.59 2dgx h GLN 576 Ca 0.48 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.81 2dgx h GLN 576 Cb 0.84 -0.29 0.00 0.00 0.21 0.00 0.00 27.48 28.24 2dgx h GLN 576 CO -0.49 0.85 -0.13 0.93 -1.93 0.00 0.00 178.83 178.06 2dgx h GLU 577 N 1.32 -0.35 0.39 1.69 5.08 -0.38 0.90 114.58 123.23 2dgx h GLU 577 Ca 0.36 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.73 2dgx h GLU 577 Cb -0.15 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2dgx h GLU 577 CO -0.08 -0.23 -0.45 0.00 -1.00 0.00 0.00 179.01 177.25 2dgx h ALA 578 N 0.38 -1.08 -0.85 3.43 0.00 -1.16 -1.52 119.26 118.46 2dgx h ALA 578 Ca -0.03 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 54.87 2dgx h ALA 578 Cb 0.28 0.70 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 2dgx h ALA 578 CO 0.06 -1.12 0.56 0.74 0.00 0.00 0.00 179.25 179.48 2dgx h PHE 579 N -0.85 0.70 -0.66 0.00 0.04 -1.40 0.28 116.94 115.06 2dgx h PHE 579 Ca -0.05 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 2dgx h PHE 579 Cb 0.75 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.64 2dgx h PHE 579 CO -0.27 0.26 0.39 0.00 -0.60 0.00 0.00 178.31 178.09 2dgx h ALA 580 N 1.61 1.45 -0.05 2.45 0.00 -0.14 -1.35 119.26 123.23 2dgx h ALA 580 Ca 0.43 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.27 2dgx h ALA 580 Cb 0.78 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2dgx h ALA 580 CO -0.18 0.48 0.05 0.00 0.00 0.00 0.00 179.25 179.59 2dgx h ARG 581 N 0.91 0.00 0.00 0.00 3.08 0.06 -3.08 114.38 115.35 2dgx h ARG 581 Ca 0.24 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 2dgx h ARG 581 Cb -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 2dgx h ARG 581 CO -0.04 0.00 -0.18 0.45 -1.07 0.00 0.00 179.97 179.13 2dgx h HIS 582 N 0.00 0.00 0.00 3.04 3.86 -1.27 -3.50 115.15 117.27 2dgx h HIS 582 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 2dgx h HIS 582 Cb 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 2dgx h HIS 582 CO 0.00 0.06 0.00 0.41 0.86 0.00 0.00 177.93 179.26 2dgx n GLY 583 N 1.72 4.68 3.01 2.45 0.00 -0.87 -5.04 105.19 111.13 2dgx n GLY 583 Ca -0.03 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 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 3.64 2.01 0.09 1.61 2.47 -1.26 -4.56 119.74 123.73 2dgx s LYS 584 Ca 0.00 -1.12 -0.31 0.00 -1.56 0.00 0.00 55.97 52.99 2dgx s LYS 584 Cb 0.00 -2.69 -0.08 0.00 -1.46 0.00 0.00 37.83 33.60 2dgx s LYS 584 CO 0.00 -0.54 1.57 0.08 0.16 0.00 0.00 175.35 176.61 2dgx s VAL 585 N 1.26 3.07 -0.15 4.02 1.01 -1.26 -1.70 120.40 126.65 2dgx s VAL 585 Ca -0.06 0.62 -0.21 0.00 0.00 0.00 0.00 61.98 62.32 2dgx s VAL 585 Cb -0.19 -3.40 -0.19 0.00 0.00 0.00 0.00 36.38 32.61 2dgx s VAL 585 CO -0.06 0.01 0.46 0.50 0.00 0.00 0.00 175.10 176.01 2dgx h LYS 586 N 7.74 0.00 -2.71 2.72 3.64 0.20 -3.44 116.57 124.71 2dgx h LYS 586 Ca -0.42 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.05 2dgx h LYS 586 Cb 1.20 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.93 2dgx h LYS 586 CO 0.91 0.78 0.34 -1.12 -2.27 0.00 0.00 179.45 178.09 2dgx s SER 587 N -6.23 -0.30 -0.08 4.20 0.01 0.05 -4.96 113.70 106.38 2dgx s SER 587 Ca -0.18 -0.36 -0.01 0.00 1.31 0.00 0.00 55.95 56.71 2dgx s SER 587 Cb -0.00 0.59 0.03 0.00 0.21 0.00 0.00 66.02 66.85 2dgx s SER 587 CO 0.53 -1.05 -0.00 -0.69 0.41 0.00 0.00 173.24 172.43 2dgx s VAL 588 N -3.60 0.43 0.10 3.43 1.01 -1.26 0.50 120.40 121.01 2dgx s VAL 588 Ca 0.09 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.19 2dgx s VAL 588 Cb -0.03 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 2dgx s VAL 588 CO -0.00 0.25 -0.05 -1.61 0.00 0.00 0.00 175.10 173.68 2dgx s GLU 589 N 1.95 2.33 0.03 2.72 0.41 -0.57 -5.01 118.70 120.56 2dgx s GLU 589 Ca 0.05 -0.94 0.07 0.00 -0.41 0.00 0.00 54.97 53.73 2dgx s GLU 589 Cb -0.12 -2.42 -0.02 0.00 -1.78 0.00 0.00 34.13 29.79 2dgx s GLU 589 CO -0.06 0.52 -0.19 -0.51 -0.49 0.00 0.00 175.26 174.53 2dgx s LEU 590 N -2.28 2.13 0.51 1.80 1.43 -1.26 -2.10 118.68 118.92 2dgx s LEU 590 Ca 0.24 -0.46 -0.18 0.00 -1.03 0.00 0.00 54.13 52.69 2dgx s LEU 590 Cb -0.11 -0.92 -0.08 0.00 0.03 0.00 0.00 46.19 45.12 2dgx s LEU 590 CO 0.16 0.16 1.01 -0.94 0.23 0.00 0.00 176.35 176.97 2dgx s SER 591 N -0.97 6.40 0.18 2.29 1.04 -0.44 -4.94 113.70 117.25 2dgx s SER 591 Ca 0.07 1.75 0.21 0.00 0.48 0.00 0.00 55.95 58.45 2dgx s SER 591 Cb -0.08 -2.53 0.86 0.00 0.10 0.00 0.00 66.02 64.37 2dgx s SER 591 CO 0.01 -0.74 1.63 -0.81 0.98 0.00 0.00 173.24 174.31 2dgx n PRO 592 N -1.35 0.13 -2.07 4.02 -0.04 -1.26 -4.77 135.00 129.67 2dgx n PRO 592 Ca 0.08 0.37 -0.42 0.00 -0.04 0.00 0.00 63.50 63.49 2dgx n PRO 592 Cb 0.53 -1.76 -0.03 0.00 -0.04 0.00 0.00 33.50 32.21 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 -3.22 3.13 -0.31 0.54 3.76 -1.26 -4.92 115.29 113.01 2dgx s HIS 593 Ca 0.05 0.93 0.08 0.00 -0.15 0.00 0.00 55.06 55.96 2dgx s HIS 593 Cb 0.09 -3.78 0.51 0.00 1.11 0.00 0.00 32.58 30.51 2dgx s HIS 593 CO 0.35 -2.68 1.48 -2.37 -0.85 0.00 0.00 174.74 170.67 2dgx n THR 594 N 3.27 2.62 -4.34 1.30 5.66 -1.26 -4.61 114.28 116.91 2dgx n THR 594 Ca 0.10 -2.86 -0.21 0.00 -3.05 0.00 0.00 64.05 58.03 2dgx n THR 594 Cb 0.41 -0.41 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 2dgx n THR 594 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2dgx s ASP 595 N -2.57 1.89 0.56 1.09 -4.77 -1.26 -5.00 116.67 106.61 2dgx s ASP 595 Ca 0.46 -1.73 0.49 0.00 -3.30 0.00 0.00 52.55 48.47 2dgx s ASP 595 Cb 0.41 0.55 1.69 0.00 -1.09 0.00 0.00 42.92 44.48 2dgx s ASP 595 CO -0.00 -1.03 1.57 0.10 0.70 0.00 0.00 175.17 176.52 2dgx h TYR 596 N 2.07 0.00 -0.13 2.11 -0.00 -1.95 0.48 116.97 119.55 2dgx h TYR 596 Ca -0.28 0.00 -0.09 0.00 -0.00 0.00 0.00 58.73 58.36 2dgx h TYR 596 Cb 1.24 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 37.93 2dgx h TYR 596 CO 1.61 0.00 0.11 1.04 -0.00 0.00 0.00 178.16 180.93 2dgx n GLN 597 N -3.91 1.22 -3.21 0.10 6.02 -1.26 -4.71 117.38 111.63 2dgx n GLN 597 Ca 0.42 -0.44 -0.41 0.00 -0.01 0.00 0.00 57.00 56.56 2dgx n GLN 597 Cb 1.96 -1.17 -0.07 0.00 1.02 0.00 0.00 30.24 31.97 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 -0.50 4.31 0.52 1.08 2.96 0.17 -4.75 118.68 122.47 2dgx s LEU 598 Ca 0.09 0.04 0.06 0.00 -0.22 0.00 0.00 54.13 54.09 2dgx s LEU 598 Cb 0.07 -2.64 0.02 0.00 0.50 0.00 0.00 46.19 44.14 2dgx s LEU 598 CO 0.00 -0.50 0.37 -0.54 -1.32 0.00 0.00 176.35 174.36 2dgx s LYS 599 N 2.47 2.28 0.26 1.98 1.02 -1.26 -3.77 119.74 122.71 2dgx s LYS 599 Ca 0.20 -1.96 -0.21 0.00 0.02 0.00 0.00 55.97 54.02 2dgx s LYS 599 Cb -0.15 -2.10 0.04 0.00 -0.52 0.00 0.00 37.83 35.10 2dgx s LYS 599 CO 0.13 -0.52 0.82 0.00 -0.92 0.00 0.00 175.35 174.86 2dgx s ALA 600 N -2.73 -1.28 -0.17 5.17 0.00 -0.84 -1.33 121.76 120.58 2dgx s ALA 600 Ca 0.35 -0.27 -0.04 0.00 0.00 0.00 0.00 51.96 52.00 2dgx s ALA 600 Cb -0.02 0.76 0.07 0.00 0.00 0.00 0.00 23.12 23.93 2dgx s ALA 600 CO 0.22 -1.03 0.16 0.08 0.00 0.00 0.00 175.76 175.19 2dgx s VAL 601 N -3.35 -0.23 -0.43 0.00 1.01 -0.89 -0.06 120.40 116.45 2dgx s VAL 601 Ca 0.13 -0.03 -0.20 0.00 0.00 0.00 0.00 61.98 61.87 2dgx s VAL 601 Cb -0.04 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.79 2dgx s VAL 601 CO 0.06 -0.16 0.62 -0.69 0.00 0.00 0.00 175.10 174.94 2dgx s VAL 602 N 2.26 4.86 0.01 2.92 1.01 0.75 -1.51 120.40 130.70 2dgx s VAL 602 Ca 0.05 0.11 -0.27 0.00 0.00 0.00 0.00 61.98 61.86 2dgx s VAL 602 Cb -0.15 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 2dgx s VAL 602 CO -0.10 -0.55 0.87 -1.58 0.00 0.00 0.00 175.10 173.74 2dgx s GLN 603 N 2.73 4.54 0.19 2.72 0.74 0.18 -0.82 119.66 129.94 2dgx s GLN 603 Ca 0.22 1.22 0.08 0.00 0.05 0.00 0.00 55.36 56.93 2dgx s GLN 603 Cb -0.14 -3.42 -0.04 0.00 1.10 0.00 0.00 33.01 30.50 2dgx s GLN 603 CO 0.18 0.08 -0.04 -1.64 -0.55 0.00 0.00 175.29 173.33 2dgx s MET 604 N 0.59 2.27 -0.07 1.67 -1.94 0.42 0.84 119.30 123.08 2dgx s MET 604 Ca 0.45 -1.20 -0.23 0.00 -1.71 0.00 0.00 55.69 53.00 2dgx s MET 604 Cb -0.20 -2.26 -0.19 0.00 2.01 0.00 0.00 34.83 34.18 2dgx s MET 604 CO 0.25 0.44 0.90 0.93 -0.01 0.00 0.00 175.02 177.52 2dgx h GLU 605 N 2.69 -0.09 -5.99 2.03 5.08 -1.62 -2.21 114.58 114.47 2dgx h GLU 605 Ca -0.47 0.01 -0.61 0.00 -1.00 0.00 0.00 59.36 57.29 2dgx h GLU 605 Cb 1.21 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 2dgx h GLU 605 CO 0.57 0.49 -0.26 1.21 -1.00 0.00 0.00 179.01 180.02 2dgx s ASN 606 N -5.73 6.69 0.02 1.42 2.47 -1.26 -3.37 114.94 115.18 2dgx s ASN 606 Ca -0.14 0.83 -0.25 0.00 0.42 0.00 0.00 52.86 53.72 2dgx s ASN 606 Cb -0.00 -2.20 -0.18 0.00 -1.45 0.00 0.00 41.25 37.42 2dgx s ASN 606 CO 0.56 0.29 1.44 0.25 -3.72 0.00 0.00 177.10 175.92 2dgx h LEU 607 N 4.39 0.01 0.07 3.21 7.12 -1.84 -3.13 115.31 125.15 2dgx h LEU 607 Ca -0.51 -0.31 -0.00 0.00 0.13 0.00 0.00 57.88 57.19 2dgx h LEU 607 Cb 1.21 -0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.34 2dgx h LEU 607 CO 0.63 0.32 -0.04 1.56 -0.13 0.00 0.00 178.44 180.78 2dgx h GLN 608 N -0.29 -0.09 -1.26 1.25 7.50 -1.96 -2.37 115.11 117.89 2dgx h GLN 608 Ca 0.00 0.01 0.41 0.00 0.50 0.00 0.00 58.65 59.57 2dgx h GLN 608 Cb 0.31 0.02 -0.13 0.00 0.05 0.00 0.00 27.48 27.74 2dgx h GLN 608 CO 0.00 -0.04 0.80 -0.44 -1.50 0.00 0.00 178.83 177.65 2dgx h ASP 609 N -0.12 0.28 0.03 1.46 5.19 -1.97 0.25 116.42 121.55 2dgx h ASP 609 Ca -0.01 0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 56.54 2dgx h ASP 609 Cb 0.09 0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.72 2dgx h ASP 609 CO 0.02 -0.16 -0.02 0.00 -3.12 0.00 0.00 179.24 175.96 2dgx h ALA 610 N 1.63 -0.04 -0.85 3.45 0.00 -1.38 -2.57 119.26 119.49 2dgx h ALA 610 Ca 0.79 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 55.50 2dgx h ALA 610 Cb 2.39 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 20.09 2dgx h ALA 610 CO -0.42 -0.23 -0.50 -0.89 0.00 0.00 0.00 179.25 177.20 2dgx n ILE 611 N -4.84 -0.58 -0.02 0.00 5.41 0.87 -0.43 119.36 119.78 2dgx n ILE 611 Ca -0.09 2.20 -0.11 0.00 1.00 0.00 0.00 62.75 65.75 2dgx n ILE 611 Cb 0.29 -2.73 -0.06 0.00 -0.71 0.00 0.00 39.64 36.43 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 0.18 -0.20 7.39 0.00 -1.63 -2.58 103.07 106.23 2dgx h GLY 612 Ca 0.14 -0.10 0.31 0.00 0.00 0.00 0.00 47.33 47.67 2dgx h GLY 612 CO -0.80 0.09 0.76 0.00 0.00 0.00 0.00 176.54 176.59 2dgx h ALA 613 N 0.88 2.82 0.12 3.60 0.00 -0.66 0.37 119.26 126.39 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 0.18 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2dgx h ALA 613 CO -0.00 -1.16 -0.06 0.28 0.00 0.00 0.00 179.25 178.31 2dgx h VAL 614 N 0.11 0.00 0.00 0.00 2.07 -0.37 0.89 116.25 118.95 2dgx h VAL 614 Ca 0.55 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.74 2dgx h VAL 614 Cb 1.95 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2dgx h VAL 614 CO -0.09 0.00 0.10 0.59 0.02 0.00 0.00 177.57 178.19 2dgx n ASN 615 N -3.35 0.51 -0.07 0.57 3.02 -0.95 0.15 115.26 115.14 2dgx n ASN 615 Ca -0.02 0.71 -0.06 0.00 -0.03 0.00 0.00 54.58 55.18 2dgx n ASN 615 Cb 0.06 -0.74 -0.02 0.00 -0.61 0.00 0.00 39.78 38.47 2dgx n ASN 615 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2dgx n SER 616 N -2.22 1.83 0.10 6.41 7.64 0.13 -4.27 113.62 123.24 2dgx n SER 616 Ca -0.01 0.58 0.09 0.00 1.01 0.00 0.00 58.87 60.54 2dgx n SER 616 Cb 0.13 -0.85 0.42 0.00 -1.01 0.00 0.00 64.21 62.90 2dgx n SER 616 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2dgx n LEU 617 N -4.59 0.43 -4.67 -3.43 4.77 0.30 -4.79 117.00 105.03 2dgx n LEU 617 Ca -0.09 0.63 -0.60 0.00 -0.03 0.00 0.00 56.01 55.92 2dgx n LEU 617 Cb 0.32 -0.61 -0.08 0.00 -2.33 0.00 0.00 43.42 40.72 2dgx n LEU 617 CO 0.13 -0.57 1.09 1.57 -1.33 0.00 0.00 177.39 178.27 2dgx n HIS 618 N -2.01 1.65 -3.09 -1.77 -0.00 0.12 0.68 115.22 110.80 2dgx n HIS 618 Ca 0.01 0.83 -0.21 0.00 0.46 0.00 0.00 57.72 58.82 2dgx n HIS 618 Cb 0.15 -2.31 0.04 0.00 -0.12 0.00 0.00 29.99 27.76 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 3.88 -5.22 -2.24 1.57 5.12 0.17 -4.92 116.66 115.02 2dgx n ARG 619 Ca 0.26 0.82 -0.43 0.00 -1.93 0.00 0.00 57.85 56.57 2dgx n ARG 619 Cb 0.07 -5.56 -0.02 0.00 -1.16 0.00 0.00 32.46 25.79 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 2.36 -0.85 -1.55 5.04 0.21 -4.67 117.35 114.72 2dgx s TYR 620 Ca 0.34 0.67 -0.20 0.00 -2.44 0.00 0.00 57.07 55.45 2dgx s TYR 620 Cb -0.15 -3.90 -0.20 0.00 0.35 0.00 0.00 41.96 38.06 2dgx s TYR 620 CO 0.43 -2.48 2.26 1.17 -1.34 0.00 0.00 175.55 175.59 2dgx n LYS 621 N 7.39 0.33 -4.34 4.97 3.00 -1.26 -2.85 118.16 125.40 2dgx n LYS 621 Ca 0.17 -0.62 -0.25 0.00 -0.00 0.00 0.00 58.31 57.60 2dgx n LYS 621 Cb 0.45 -2.80 -0.09 0.00 0.00 0.00 0.00 35.03 32.59 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 9.99 3.01 0.00 3.15 1.01 -1.22 -5.02 121.20 132.13 2dgx s ILE 622 Ca 1.01 -1.89 0.00 0.00 0.00 0.00 0.00 60.65 59.76 2dgx s ILE 622 Cb -0.34 -2.53 0.00 0.00 0.01 0.00 0.00 42.46 39.60 2dgx s ILE 622 CO 0.24 -0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.57 2dgx n GLY 623 N -0.25 1.68 0.03 6.18 0.00 -1.26 -1.28 105.19 110.29 2dgx n GLY 623 Ca -0.09 0.34 0.03 0.00 0.00 0.00 0.00 46.02 46.30 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 2.16 1.99 -3.77 1.61 7.64 -1.26 -5.02 113.62 116.97 2dgx n SER 624 Ca 0.00 -2.30 -0.13 0.00 1.01 0.00 0.00 58.87 57.45 2dgx n SER 624 Cb 0.00 -0.14 -0.10 0.00 -1.01 0.00 0.00 64.21 62.96 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 -1.53 0.45 -0.25 1.43 1.02 -0.40 -5.02 119.74 115.44 2dgx s LYS 625 Ca 0.10 0.20 -0.29 0.00 0.02 0.00 0.00 55.97 56.00 2dgx s LYS 625 Cb 0.09 0.21 -0.01 0.00 -0.52 0.00 0.00 37.83 37.59 2dgx s LYS 625 CO 0.01 -0.09 1.43 0.15 -0.92 0.00 0.00 175.35 175.94 2dgx s LYS 626 N -0.34 3.91 0.21 1.68 3.01 -1.26 -3.43 119.74 123.52 2dgx s LYS 626 Ca -0.05 1.49 -0.30 0.00 -1.01 0.00 0.00 55.97 56.10 2dgx s LYS 626 Cb -0.03 -3.93 -0.09 0.00 -1.01 0.00 0.00 37.83 32.77 2dgx s LYS 626 CO 0.02 -1.14 1.20 0.96 0.51 0.00 0.00 175.35 176.90 2dgx s ILE 627 N 4.60 3.45 -0.40 2.17 -4.36 -1.13 -4.70 121.20 120.83 2dgx s ILE 627 Ca 0.63 1.27 -0.09 0.00 -0.26 0.00 0.00 60.65 62.20 2dgx s ILE 627 Cb -0.21 -3.81 0.06 0.00 1.25 0.00 0.00 42.46 39.75 2dgx s ILE 627 CO 0.25 0.23 0.22 -0.76 0.24 0.00 0.00 174.94 175.12 2dgx s LEU 628 N -0.56 4.95 0.21 0.37 1.43 0.60 0.41 118.68 126.09 2dgx s LEU 628 Ca 0.51 -1.37 -0.19 0.00 -1.03 0.00 0.00 54.13 52.05 2dgx s LEU 628 Cb -0.33 -1.97 -0.08 0.00 0.03 0.00 0.00 46.19 43.84 2dgx s LEU 628 CO 0.39 -0.48 0.69 -0.69 0.23 0.00 0.00 176.35 176.49 2dgx s VAL 629 N 1.44 4.62 -0.28 -1.59 1.01 -1.26 -1.35 120.40 122.98 2dgx s VAL 629 Ca 0.02 1.21 -0.21 0.00 0.00 0.00 0.00 61.98 63.01 2dgx s VAL 629 Cb -0.22 -3.84 0.08 0.00 0.00 0.00 0.00 36.38 32.40 2dgx s VAL 629 CO 0.03 0.23 0.72 -0.94 0.00 0.00 0.00 175.10 175.13 2dgx s SER 630 N -1.64 -0.83 0.94 3.32 1.04 -0.39 -4.82 113.70 111.32 2dgx s SER 630 Ca 0.42 1.45 -0.12 0.00 0.48 0.00 0.00 55.95 58.18 2dgx s SER 630 Cb -0.17 1.41 0.15 0.00 0.10 0.00 0.00 66.02 67.52 2dgx s SER 630 CO 0.21 -0.24 1.09 -0.76 0.98 0.00 0.00 173.24 174.52 2dgx s LEU 631 N 0.97 2.04 0.00 2.42 1.43 -1.26 0.77 118.68 125.04 2dgx s LEU 631 Ca -0.05 1.46 0.03 0.00 -1.03 0.00 0.00 54.13 54.54 2dgx s LEU 631 Cb -0.05 -3.79 -0.01 0.00 0.03 0.00 0.00 46.19 42.37 2dgx s LEU 631 CO -0.09 -2.88 -0.08 0.00 0.23 0.00 0.00 176.35 173.53 2dgx s ALA 632 N -2.89 0.70 1.22 4.21 0.00 -0.90 -4.62 121.76 119.46 2dgx s ALA 632 Ca 0.64 -0.41 -0.18 0.00 0.00 0.00 0.00 51.96 52.01 2dgx s ALA 632 Cb -0.19 -0.16 0.25 0.00 0.00 0.00 0.00 23.12 23.02 2dgx s ALA 632 CO 0.58 0.15 0.55 0.25 0.00 0.00 0.00 175.76 177.29 2dgx n THR 633 N 2.71 0.00 0.00 0.00 -2.24 -1.26 -4.69 114.28 108.80 2dgx n THR 633 Ca -0.14 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2dgx n THR 633 Cb 0.57 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 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 1.89 -0.47 3.64 3.38 0.00 -1.26 -4.92 105.19 107.44 2dgx n GLY 634 Ca 0.06 0.22 -0.06 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 -2.10 -0.75 4.61 0.00 -1.26 -4.91 121.76 117.35 2dgx s ALA 635 Ca 0.00 1.76 0.01 0.00 0.00 0.00 0.00 51.96 53.73 2dgx s ALA 635 Cb 0.00 -1.52 0.18 0.00 0.00 0.00 0.00 23.12 21.78 2dgx s ALA 635 CO 0.00 -0.18 0.57 0.45 0.00 0.00 0.00 175.76 176.60 2dgx s SER 636 N -0.15 5.28 0.00 0.00 0.15 -1.26 -4.84 113.70 112.88 2dgx s SER 636 Ca 0.05 -3.58 0.00 0.00 0.70 0.00 0.00 55.95 53.12 2dgx s SER 636 Cb -0.04 -1.77 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 2dgx s SER 636 CO -0.10 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2dgx n GLY 637 N 2.44 0.71 0.00 9.45 0.00 -1.26 -5.00 105.19 111.53 2dgx n GLY 637 Ca 0.17 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.08 2dgx n GLY 637 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dgx n PRO 638 N 0.00 0.36 -1.59 1.61 -0.04 -1.26 -4.85 135.00 129.24 2dgx n PRO 638 Ca 0.00 0.06 -0.45 0.00 -0.04 0.00 0.00 63.50 63.07 2dgx n PRO 638 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 2dgx n PRO 638 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dgx n SER 639 N -1.13 1.32 -4.58 3.54 7.64 -1.26 -4.80 113.62 114.36 2dgx n SER 639 Ca 0.10 1.17 -0.41 0.00 1.01 0.00 0.00 58.87 60.73 2dgx n SER 639 Cb 0.08 -1.27 -0.03 0.00 -1.01 0.00 0.00 64.21 61.98 2dgx n SER 639 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dgx s SER 640 N -0.42 5.40 0.00 6.43 0.15 -1.26 -5.22 113.70 118.78 2dgx s SER 640 Ca 0.62 1.30 0.00 0.00 0.70 0.00 0.00 55.95 58.57 2dgx s SER 640 Cb -0.73 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.06 2dgx s SER 640 CO 0.58 -2.10 0.00 0.61 1.20 0.00 0.00 173.24 173.53