#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dgx n SER 547 N 0.00 1.97 -3.75 1.61 3.41 -1.26 -4.93 113.62 110.66 2dgx n SER 547 Ca 0.00 1.10 -0.30 0.00 -0.26 0.00 0.00 58.87 59.41 2dgx n SER 547 Cb 0.00 -1.12 -0.14 0.00 -0.26 0.00 0.00 64.21 62.69 2dgx n SER 547 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dgx s SER 548 N 2.48 3.95 0.00 4.04 0.01 -1.26 -5.07 113.70 117.85 2dgx s SER 548 Ca 0.95 -2.10 0.00 0.00 1.31 0.00 0.00 55.95 56.11 2dgx s SER 548 Cb -1.08 -1.01 0.00 0.00 0.21 0.00 0.00 66.02 64.13 2dgx s SER 548 CO 0.61 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 174.52 2dgx n GLY 549 N 4.25 0.75 3.76 3.44 0.00 -1.26 -5.09 105.19 111.03 2dgx n GLY 549 Ca 0.03 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 43.85 2dgx n GLY 549 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dgx s SER 550 N -4.00 7.18 0.11 1.61 0.15 -1.26 -5.07 113.70 112.41 2dgx s SER 550 Ca 0.00 1.40 0.03 0.00 0.70 0.00 0.00 55.95 58.08 2dgx s SER 550 Cb 0.00 -2.44 -0.04 0.00 -1.71 0.00 0.00 66.02 61.83 2dgx s SER 550 CO 0.00 0.10 0.14 -0.44 1.20 0.00 0.00 173.24 174.24 2dgx s SER 551 N -0.40 5.74 0.00 5.45 0.01 -1.26 -4.84 113.70 118.39 2dgx s SER 551 Ca 0.35 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.63 2dgx s SER 551 Cb -0.20 -1.59 0.00 0.00 0.21 0.00 0.00 66.02 64.44 2dgx s SER 551 CO 0.22 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.61 2dgx n GLY 552 N 0.10 0.62 3.40 3.44 0.00 -1.26 -5.06 105.19 106.43 2dgx n GLY 552 Ca -0.08 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 2dgx n GLY 552 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2dgx s ASN 553 N -2.01 5.59 1.58 1.61 3.04 -1.26 -4.96 114.94 118.54 2dgx s ASN 553 Ca 0.00 -0.75 0.00 0.00 0.04 0.00 0.00 52.86 52.15 2dgx s ASN 553 Cb 0.00 -2.00 0.00 0.00 -1.54 0.00 0.00 41.25 37.71 2dgx s ASN 553 CO 0.00 -0.28 0.00 0.61 -3.04 0.00 0.00 177.10 174.39 2dgx n GLY 554 N 4.98 2.42 2.73 1.21 0.00 -1.26 -4.38 105.19 110.88 2dgx n GLY 554 Ca -0.13 0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.20 1.15 -0.17 4.61 0.00 -0.97 -4.78 121.76 120.41 2dgx s ALA 555 Ca 0.00 -0.98 -0.20 0.00 0.00 0.00 0.00 51.96 50.78 2dgx s ALA 555 Cb 0.00 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 2dgx s ALA 555 CO 0.00 -1.32 0.57 -0.51 0.00 0.00 0.00 175.76 174.50 2dgx s ASP 556 N 1.80 6.68 -0.34 0.00 1.11 -1.26 -0.16 116.67 124.49 2dgx s ASP 556 Ca 0.02 0.82 -0.03 0.00 0.18 0.00 0.00 52.55 53.53 2dgx s ASP 556 Cb -0.17 -2.33 0.06 0.00 1.07 0.00 0.00 42.92 41.56 2dgx s ASP 556 CO -0.14 -0.18 0.08 -0.69 1.18 0.00 0.00 175.17 175.43 2dgx s VAL 557 N 1.47 3.31 -0.06 -1.27 1.01 0.12 -2.88 120.40 122.09 2dgx s VAL 557 Ca 0.28 -1.48 -0.30 0.00 0.00 0.00 0.00 61.98 60.48 2dgx s VAL 557 Cb -0.16 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 2dgx s VAL 557 CO 0.11 -0.28 1.32 -1.10 0.00 0.00 0.00 175.10 175.15 2dgx s GLN 558 N 1.27 4.29 -0.12 2.72 -1.52 0.20 -0.15 119.66 126.35 2dgx s GLN 558 Ca -0.01 1.81 -0.01 0.00 -1.95 0.00 0.00 55.36 55.20 2dgx s GLN 558 Cb -0.20 -3.64 -0.02 0.00 -0.22 0.00 0.00 33.01 28.92 2dgx s GLN 558 CO -0.01 -0.58 -0.10 0.08 -0.25 0.00 0.00 175.29 174.44 2dgx s VAL 559 N 2.69 3.37 0.24 1.09 1.01 0.96 -0.83 120.40 128.94 2dgx s VAL 559 Ca 0.60 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 62.03 2dgx s VAL 559 Cb -0.27 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 2dgx s VAL 559 CO 0.22 0.53 0.06 -0.94 0.00 0.00 0.00 175.10 174.98 2dgx s SER 560 N 0.09 1.33 -1.25 3.32 1.04 -0.20 -1.05 113.70 116.98 2dgx s SER 560 Ca -0.04 -1.32 -0.02 0.00 0.48 0.00 0.00 55.95 55.05 2dgx s SER 560 Cb -0.14 0.12 -0.01 0.00 0.10 0.00 0.00 66.02 66.09 2dgx s SER 560 CO 0.04 -0.66 0.77 -3.20 0.98 0.00 0.00 173.24 171.16 2dgx n ASN 561 N -0.42 -2.10 -4.59 7.02 5.15 -1.26 -0.05 115.26 119.00 2dgx n ASN 561 Ca -0.02 -0.80 -0.39 0.00 -0.60 0.00 0.00 54.58 52.76 2dgx n ASN 561 Cb 0.65 -4.25 -0.09 0.00 -0.53 0.00 0.00 39.78 35.57 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 -3.59 5.16 -0.97 -1.44 1.01 -1.20 -3.88 121.20 116.29 2dgx s ILE 562 Ca 0.08 0.49 -0.18 0.00 0.00 0.00 0.00 60.65 61.04 2dgx s ILE 562 Cb -0.02 -3.73 -0.28 0.00 0.01 0.00 0.00 42.46 38.44 2dgx s ILE 562 CO 0.80 0.10 2.37 -0.90 0.00 0.00 0.00 174.94 177.31 2dgx n ASP 563 N 5.37 -0.55 -0.35 3.58 5.75 -1.26 -4.71 116.55 124.38 2dgx n ASP 563 Ca -0.08 -0.34 0.04 0.00 -0.01 0.00 0.00 54.79 54.40 2dgx n ASP 563 Cb 0.50 -0.77 0.19 0.00 -1.03 0.00 0.00 41.12 40.02 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 11.74 1.11 -0.83 2.11 -0.00 -1.90 -2.70 116.97 126.50 2dgx h TYR 564 Ca -0.00 0.03 0.12 0.00 -0.00 0.00 0.00 58.73 58.88 2dgx h TYR 564 Cb 1.19 -0.36 -0.13 0.00 -0.00 0.00 0.00 36.73 37.43 2dgx h TYR 564 CO 1.26 0.51 -0.34 0.54 -0.00 0.00 0.00 178.16 180.12 2dgx n ARG 565 N -4.59 -0.21 -0.82 0.10 1.74 -1.26 -4.44 116.66 107.17 2dgx n ARG 565 Ca 0.16 1.28 -0.33 0.00 -0.77 0.00 0.00 57.85 58.19 2dgx n ARG 565 Cb 0.26 -1.89 0.13 0.00 -1.02 0.00 0.00 32.46 29.94 2dgx n ARG 565 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2dgx n LEU 566 N -5.21 1.50 -4.86 0.55 4.77 -1.02 -4.98 117.00 107.75 2dgx n LEU 566 Ca 0.08 0.40 -0.31 0.00 -0.03 0.00 0.00 56.01 56.16 2dgx n LEU 566 Cb 0.32 -1.33 0.03 0.00 -2.33 0.00 0.00 43.42 40.11 2dgx n LEU 566 CO -0.12 -2.92 0.73 -0.55 -1.33 0.00 0.00 177.39 173.20 2dgx s SER 567 N -2.19 5.77 0.12 -1.43 0.15 -1.26 -4.88 113.70 109.98 2dgx s SER 567 Ca 0.62 1.37 -0.17 0.00 0.70 0.00 0.00 55.95 58.48 2dgx s SER 567 Cb -0.24 -2.31 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 2dgx s SER 567 CO 0.62 -1.16 1.65 0.03 1.20 0.00 0.00 173.24 175.58 2dgx h ARG 568 N -0.52 0.55 -0.28 5.44 3.08 -1.93 0.12 114.38 120.84 2dgx h ARG 568 Ca -0.44 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 59.47 2dgx h ARG 568 Cb 1.21 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 2dgx h ARG 568 CO 0.61 0.56 0.07 -0.22 -1.07 0.00 0.00 179.97 179.93 2dgx h LYS 569 N 0.43 0.39 0.00 0.04 3.64 -1.98 0.30 116.57 119.38 2dgx h LYS 569 Ca 0.12 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.35 2dgx h LYS 569 Cb 0.23 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 2dgx h LYS 569 CO -0.01 0.36 -0.61 1.49 -2.27 0.00 0.00 179.45 178.41 2dgx h GLU 570 N 0.39 0.00 0.17 1.90 4.57 -1.86 -2.65 114.58 117.10 2dgx h GLU 570 Ca 0.10 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.95 2dgx h GLU 570 Cb 0.14 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.74 2dgx h GLU 570 CO -0.00 0.39 -1.57 -0.07 -1.18 0.00 0.00 179.01 176.57 2dgx h LEU 571 N 0.00 0.55 -0.45 1.64 3.38 0.12 -2.08 115.31 118.47 2dgx h LEU 571 Ca -0.03 -0.73 -0.12 0.00 0.09 0.00 0.00 57.88 57.09 2dgx h LEU 571 Cb 1.36 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 2dgx h LEU 571 CO 0.05 1.60 -0.58 0.06 0.09 0.00 0.00 178.44 179.67 2dgx h GLN 572 N 0.10 0.00 0.11 1.13 3.07 -0.54 -2.64 115.11 116.33 2dgx h GLN 572 Ca -0.27 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.24 2dgx h GLN 572 Cb 2.07 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.63 2dgx h GLN 572 CO 0.19 0.58 -1.11 -0.56 0.09 0.00 0.00 178.83 178.02 2dgx h GLN 573 N 0.00 0.22 0.35 0.06 -0.00 -1.58 -3.21 115.11 110.96 2dgx h GLN 573 Ca -0.01 -0.38 -0.02 0.00 -0.00 0.00 0.00 58.65 58.25 2dgx h GLN 573 Cb 1.24 0.14 0.00 0.00 -0.00 0.00 0.00 27.48 28.87 2dgx h GLN 573 CO 0.07 1.18 -0.17 -0.07 -0.00 0.00 0.00 178.83 179.85 2dgx h LEU 574 N -0.43 -0.40 -0.66 0.06 3.38 -1.45 -2.08 115.31 113.73 2dgx h LEU 574 Ca -0.24 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 57.85 2dgx h LEU 574 Cb 1.63 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 42.40 2dgx h LEU 574 CO 0.06 -0.27 0.20 -0.07 0.09 0.00 0.00 178.44 178.46 2dgx h LEU 575 N -0.50 0.13 -1.02 1.67 3.38 -1.65 -0.19 115.31 117.14 2dgx h LEU 575 Ca -0.05 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.07 2dgx h LEU 575 Cb 0.38 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 2dgx h LEU 575 CO 0.08 0.06 0.65 -0.61 0.09 0.00 0.00 178.44 178.72 2dgx h GLN 576 N 0.35 1.21 0.26 1.13 4.15 -1.51 -1.68 115.11 119.01 2dgx h GLN 576 Ca 0.35 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.69 2dgx h GLN 576 Cb 0.51 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 2dgx h GLN 576 CO -0.39 0.80 -0.20 0.93 -1.93 0.00 0.00 178.83 178.04 2dgx h GLU 577 N 1.24 -0.45 0.53 1.69 5.08 -0.33 0.15 114.58 122.50 2dgx h GLU 577 Ca 0.41 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.78 2dgx h GLU 577 Cb 0.04 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2dgx h GLU 577 CO -0.14 -0.30 -0.39 0.00 -1.00 0.00 0.00 179.01 177.18 2dgx h ALA 578 N 0.23 -0.93 -0.79 3.43 0.00 -1.13 -1.75 119.26 118.32 2dgx h ALA 578 Ca -0.01 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.87 2dgx h ALA 578 Cb 0.41 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 2dgx h ALA 578 CO -0.01 -1.05 0.52 0.74 0.00 0.00 0.00 179.25 179.45 2dgx h PHE 579 N -0.90 0.57 -0.73 0.00 0.04 -1.27 -0.45 116.94 114.21 2dgx h PHE 579 Ca -0.06 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.67 2dgx h PHE 579 Cb 0.76 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.69 2dgx h PHE 579 CO -0.15 0.22 0.25 0.00 -0.60 0.00 0.00 178.31 178.02 2dgx h ALA 580 N 1.63 0.95 0.00 2.45 0.00 -0.11 -1.87 119.26 122.31 2dgx h ALA 580 Ca 0.39 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2dgx h ALA 580 Cb 0.81 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2dgx h ALA 580 CO -0.14 0.62 0.16 0.00 0.00 0.00 0.00 179.25 179.89 2dgx h ARG 581 N 1.07 0.00 0.00 0.00 3.08 -0.21 -3.09 114.38 115.23 2dgx h ARG 581 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 2dgx h ARG 581 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2dgx h ARG 581 CO -0.01 0.00 -0.26 0.72 -1.07 0.00 0.00 179.97 179.34 2dgx n HIS 582 N -2.97 0.27 0.00 3.04 8.25 -0.76 -5.08 115.22 117.98 2dgx n HIS 582 Ca -0.02 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 2dgx n HIS 582 Cb 0.22 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 30.94 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 1.63 2.76 2.76 -1.41 0.00 -0.86 -5.05 105.19 105.02 2dgx n GLY 583 Ca -0.04 -0.22 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 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 2.90 0.75 -0.14 1.61 2.47 -1.26 -4.65 119.74 121.41 2dgx s LYS 584 Ca 0.00 -0.37 -0.29 0.00 -1.56 0.00 0.00 55.97 53.75 2dgx s LYS 584 Cb 0.00 -1.94 -0.04 0.00 -1.46 0.00 0.00 37.83 34.38 2dgx s LYS 584 CO 0.00 -0.57 1.71 0.08 0.16 0.00 0.00 175.35 176.73 2dgx s VAL 585 N 1.84 3.54 0.03 4.02 1.01 -1.26 -0.88 120.40 128.70 2dgx s VAL 585 Ca -0.00 0.63 -0.16 0.00 0.00 0.00 0.00 61.98 62.44 2dgx s VAL 585 Cb -0.16 -3.50 -0.34 0.00 0.00 0.00 0.00 36.38 32.38 2dgx s VAL 585 CO -0.07 -0.17 1.03 0.50 0.00 0.00 0.00 175.10 176.39 2dgx h LYS 586 N 10.71 0.56 -1.74 2.72 3.64 -0.11 -3.45 116.57 128.90 2dgx h LYS 586 Ca -0.37 -0.88 0.27 0.00 -1.27 0.00 0.00 60.65 58.39 2dgx h LYS 586 Cb 1.18 0.32 -0.11 0.00 -0.41 0.00 0.00 32.23 33.20 2dgx h LYS 586 CO 0.98 1.42 0.71 -1.54 -2.27 0.00 0.00 179.45 178.75 2dgx s SER 587 N -7.51 -0.10 -0.03 4.20 1.04 -0.77 -4.97 113.70 105.55 2dgx s SER 587 Ca -0.09 -0.21 -0.00 0.00 0.48 0.00 0.00 55.95 56.12 2dgx s SER 587 Cb 0.04 0.27 0.03 0.00 0.10 0.00 0.00 66.02 66.46 2dgx s SER 587 CO 0.94 -0.49 0.02 -0.69 0.98 0.00 0.00 173.24 173.99 2dgx s VAL 588 N -2.71 0.08 -0.03 5.02 1.01 -1.26 -0.49 120.40 122.02 2dgx s VAL 588 Ca 0.13 0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.37 2dgx s VAL 588 Cb 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 36.16 2dgx s VAL 588 CO -0.02 0.15 -0.25 -1.61 0.00 0.00 0.00 175.10 173.37 2dgx s GLU 589 N 1.36 2.17 0.00 2.72 0.41 -0.75 -5.02 118.70 119.59 2dgx s GLU 589 Ca -0.05 -0.89 0.06 0.00 -0.41 0.00 0.00 54.97 53.69 2dgx s GLU 589 Cb -0.13 -2.00 -0.03 0.00 -1.78 0.00 0.00 34.13 30.19 2dgx s GLU 589 CO -0.03 0.48 -0.19 -0.51 -0.49 0.00 0.00 175.26 174.52 2dgx s LEU 590 N -0.44 2.49 0.58 1.80 1.43 -1.26 -1.17 118.68 122.11 2dgx s LEU 590 Ca 0.05 -0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 52.66 2dgx s LEU 590 Cb -0.11 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.59 2dgx s LEU 590 CO 0.00 0.30 1.00 -0.44 0.23 0.00 0.00 176.35 177.44 2dgx s SER 591 N -1.04 6.32 0.30 2.29 0.01 -0.74 -4.98 113.70 115.86 2dgx s SER 591 Ca 0.12 1.41 0.08 0.00 1.31 0.00 0.00 55.95 58.87 2dgx s SER 591 Cb -0.10 -2.46 0.45 0.00 0.21 0.00 0.00 66.02 64.12 2dgx s SER 591 CO 0.02 -0.78 1.69 1.55 0.41 0.00 0.00 173.24 176.13 2dgx h PRO 592 N 0.01 0.15 -6.11 12.44 0.13 -1.97 -3.45 132.00 133.21 2dgx h PRO 592 Ca -0.45 -0.08 -0.74 0.00 -0.87 0.00 0.00 66.00 63.86 2dgx h PRO 592 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 2dgx h PRO 592 CO 0.62 0.59 1.00 0.72 -0.23 0.00 0.00 178.00 180.70 2dgx n HIS 593 N -3.98 1.92 -1.38 1.56 8.25 -1.26 -4.83 115.22 115.51 2dgx n HIS 593 Ca -0.02 0.55 -0.25 0.00 -0.26 0.00 0.00 57.72 57.74 2dgx n HIS 593 Cb 0.51 -2.45 0.13 0.00 1.12 0.00 0.00 29.99 29.30 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 5.07 3.21 -4.24 1.59 -2.24 -1.26 -4.29 114.28 112.13 2dgx n THR 594 Ca 0.31 -2.65 -0.17 0.00 -2.27 0.00 0.00 64.05 59.28 2dgx n THR 594 Cb 0.12 -0.77 -0.07 0.00 -2.10 0.00 0.00 70.33 67.52 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 -1.02 -0.61 -0.22 3.42 8.00 -1.26 -4.99 116.55 119.87 2dgx n ASP 595 Ca 0.56 -2.86 0.29 0.00 0.71 0.00 0.00 54.79 53.49 2dgx n ASP 595 Cb 1.13 1.43 0.52 0.00 -0.02 0.00 0.00 41.12 44.18 2dgx n ASP 595 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2dgx h TYR 596 N 1.91 0.00 -0.13 1.24 -0.00 -1.93 1.69 116.97 119.75 2dgx h TYR 596 Ca -0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.51 2dgx h TYR 596 Cb 1.02 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.74 2dgx h TYR 596 CO 0.00 0.00 0.03 1.04 -0.00 0.00 0.00 178.16 179.23 2dgx n GLN 597 N -3.39 1.62 -2.50 0.10 6.02 -1.26 -4.70 117.38 113.27 2dgx n GLN 597 Ca 0.23 -0.60 -0.43 0.00 -0.01 0.00 0.00 57.00 56.19 2dgx n GLN 597 Cb 1.44 -1.54 -0.02 0.00 1.02 0.00 0.00 30.24 31.13 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 -0.55 3.82 0.54 1.08 2.96 0.57 -4.77 118.68 122.33 2dgx s LEU 598 Ca 0.11 0.99 0.03 0.00 -0.22 0.00 0.00 54.13 55.04 2dgx s LEU 598 Cb 0.08 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.25 2dgx s LEU 598 CO 0.03 -1.10 0.22 -0.54 -1.32 0.00 0.00 176.35 173.64 2dgx s LYS 599 N 4.17 2.23 0.26 1.98 -0.14 -1.26 -3.25 119.74 123.73 2dgx s LYS 599 Ca 0.52 -2.24 -0.21 0.00 -1.36 0.00 0.00 55.97 52.68 2dgx s LYS 599 Cb -0.13 -1.82 0.05 0.00 -1.68 0.00 0.00 37.83 34.25 2dgx s LYS 599 CO 0.24 -0.55 0.85 0.00 -0.76 0.00 0.00 175.35 175.13 2dgx s ALA 600 N -2.85 -1.25 -0.21 5.17 0.00 -0.22 -1.78 121.76 120.62 2dgx s ALA 600 Ca 0.18 -0.33 -0.04 0.00 0.00 0.00 0.00 51.96 51.76 2dgx s ALA 600 Cb -0.01 0.74 0.09 0.00 0.00 0.00 0.00 23.12 23.93 2dgx s ALA 600 CO 0.11 -1.03 0.17 0.08 0.00 0.00 0.00 175.76 175.10 2dgx s VAL 601 N -3.04 -0.23 -0.24 0.00 1.01 -0.32 -0.03 120.40 117.56 2dgx s VAL 601 Ca 0.14 -0.23 -0.18 0.00 0.00 0.00 0.00 61.98 61.72 2dgx s VAL 601 Cb -0.04 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 2dgx s VAL 601 CO 0.07 -0.31 0.51 -0.69 0.00 0.00 0.00 175.10 174.68 2dgx s VAL 602 N 2.24 5.09 -0.06 2.92 1.01 0.79 -1.81 120.40 130.59 2dgx s VAL 602 Ca 0.06 0.90 -0.14 0.00 0.00 0.00 0.00 61.98 62.79 2dgx s VAL 602 Cb -0.16 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 2dgx s VAL 602 CO -0.15 0.12 0.35 -1.10 0.00 0.00 0.00 175.10 174.32 2dgx s GLN 603 N 2.04 3.95 0.07 2.72 1.11 0.35 0.13 119.66 130.03 2dgx s GLN 603 Ca 0.22 0.27 0.09 0.00 0.01 0.00 0.00 55.36 55.95 2dgx s GLN 603 Cb -0.15 -3.28 -0.03 0.00 -1.01 0.00 0.00 33.01 28.53 2dgx s GLN 603 CO 0.09 0.56 -0.23 -1.64 0.01 0.00 0.00 175.29 174.09 2dgx s MET 604 N -0.60 1.79 0.05 2.91 -1.94 0.77 0.60 119.30 122.87 2dgx s MET 604 Ca 0.21 -1.14 -0.29 0.00 -1.71 0.00 0.00 55.69 52.77 2dgx s MET 604 Cb -0.15 -2.04 -0.17 0.00 2.01 0.00 0.00 34.83 34.47 2dgx s MET 604 CO 0.10 0.50 1.48 0.93 -0.01 0.00 0.00 175.02 178.02 2dgx h GLU 605 N 4.35 -0.62 -6.57 2.03 5.08 -1.31 -2.57 114.58 114.97 2dgx h GLU 605 Ca -0.48 0.04 -0.52 0.00 -1.00 0.00 0.00 59.36 57.40 2dgx h GLU 605 Cb 1.16 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 2dgx h GLU 605 CO 0.44 -0.35 -0.05 1.21 -1.00 0.00 0.00 179.01 179.26 2dgx s ASN 606 N -4.71 6.58 -0.09 1.42 2.47 -1.26 -4.53 114.94 114.81 2dgx s ASN 606 Ca -0.16 0.96 -0.22 0.00 0.42 0.00 0.00 52.86 53.86 2dgx s ASN 606 Cb 0.03 -2.24 -0.18 0.00 -1.45 0.00 0.00 41.25 37.41 2dgx s ASN 606 CO 0.59 -0.19 0.78 0.25 -3.72 0.00 0.00 177.10 174.81 2dgx h LEU 607 N 2.03 -0.07 -1.19 3.21 7.12 -1.86 -3.28 115.31 121.28 2dgx h LEU 607 Ca -0.47 -0.57 0.03 0.00 0.13 0.00 0.00 57.88 57.00 2dgx h LEU 607 Cb 1.18 0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 41.28 2dgx h LEU 607 CO 0.67 0.64 0.56 -0.61 -0.13 0.00 0.00 178.44 179.56 2dgx h GLN 608 N -0.88 1.02 -0.86 1.25 4.15 -1.98 -1.52 115.11 116.30 2dgx h GLN 608 Ca -0.01 -0.06 0.17 0.00 0.77 0.00 0.00 58.65 59.52 2dgx h GLN 608 Cb 0.63 -0.23 -0.06 0.00 0.21 0.00 0.00 27.48 28.03 2dgx h GLN 608 CO 0.01 0.68 0.57 -0.44 -1.93 0.00 0.00 178.83 177.72 2dgx h ASP 609 N 1.05 0.49 0.10 -0.69 5.19 -1.97 -2.37 116.42 118.22 2dgx h ASP 609 Ca 0.34 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.78 2dgx h ASP 609 Cb 0.03 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.48 2dgx h ASP 609 CO -0.10 0.23 -0.05 0.00 -3.12 0.00 0.00 179.24 176.20 2dgx h ALA 610 N 1.62 -0.14 -0.53 3.45 0.00 -1.34 -2.70 119.26 119.63 2dgx h ALA 610 Ca 0.44 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 55.14 2dgx h ALA 610 Cb 0.94 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 2dgx h ALA 610 CO -0.18 -0.21 -0.31 -0.89 0.00 0.00 0.00 179.25 177.66 2dgx n ILE 611 N -4.84 -0.36 -0.17 0.00 5.41 -0.90 -0.07 119.36 118.43 2dgx n ILE 611 Ca -0.07 1.60 -0.09 0.00 1.00 0.00 0.00 62.75 65.19 2dgx n ILE 611 Cb 0.28 -2.01 0.00 0.00 -0.71 0.00 0.00 39.64 37.20 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 0.81 0.10 7.39 0.00 -1.67 -2.62 103.07 107.08 2dgx h GLY 612 Ca 0.08 -0.49 0.26 0.00 0.00 0.00 0.00 47.33 47.18 2dgx h GLY 612 CO -0.49 0.46 0.67 0.00 0.00 0.00 0.00 176.54 177.17 2dgx h ALA 613 N 1.00 2.68 0.08 3.60 0.00 -0.12 0.40 119.26 126.89 2dgx h ALA 613 Ca 0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2dgx h ALA 613 Cb 0.29 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2dgx h ALA 613 CO -0.00 -0.97 -0.04 0.28 0.00 0.00 0.00 179.25 178.52 2dgx h VAL 614 N 0.13 0.00 0.00 0.00 2.07 -0.43 0.17 116.25 118.20 2dgx h VAL 614 Ca 0.48 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.76 2dgx h VAL 614 Cb 1.65 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2dgx h VAL 614 CO -0.08 0.00 0.21 0.78 0.02 0.00 0.00 177.57 178.50 2dgx h ASN 615 N -0.34 0.00 0.00 0.57 2.35 -1.32 0.49 115.58 117.33 2dgx h ASN 615 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2dgx h ASN 615 Cb 0.08 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 2dgx h ASN 615 CO 0.02 0.00 -0.50 0.28 -1.65 0.00 0.00 177.43 175.58 2dgx h SER 616 N 0.00 0.00 0.30 5.81 0.02 -0.27 -3.36 113.55 116.05 2dgx h SER 616 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2dgx h SER 616 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2dgx h SER 616 CO 0.00 0.76 0.00 0.18 -1.14 0.00 0.00 176.83 176.63 2dgx n LEU 617 N -4.62 0.00 -4.67 5.07 4.77 0.61 -4.79 117.00 113.37 2dgx n LEU 617 Ca -0.07 0.38 -0.54 0.00 -0.03 0.00 0.00 56.01 55.74 2dgx n LEU 617 Cb 0.26 -0.38 -0.06 0.00 -2.33 0.00 0.00 43.42 40.91 2dgx n LEU 617 CO 0.10 -0.23 1.21 1.57 -1.33 0.00 0.00 177.39 178.72 2dgx n HIS 618 N -1.38 1.93 -2.40 -1.77 -0.00 0.17 0.37 115.22 112.14 2dgx n HIS 618 Ca 0.04 0.50 -0.17 0.00 0.46 0.00 0.00 57.72 58.55 2dgx n HIS 618 Cb 0.11 -2.45 -0.00 0.00 -0.12 0.00 0.00 29.99 27.53 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 4.58 -1.73 -1.86 1.57 5.12 0.33 -4.90 116.66 119.77 2dgx n ARG 619 Ca 0.23 0.82 -0.43 0.00 -1.93 0.00 0.00 57.85 56.54 2dgx n ARG 619 Cb 0.17 -5.27 -0.03 0.00 -1.16 0.00 0.00 32.46 26.17 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 -2.88 1.61 -0.84 -1.55 5.04 0.16 -4.48 117.35 114.40 2dgx s TYR 620 Ca 0.03 0.41 -0.21 0.00 -2.44 0.00 0.00 57.07 54.86 2dgx s TYR 620 Cb -0.02 -4.04 -0.21 0.00 0.35 0.00 0.00 41.96 38.05 2dgx s TYR 620 CO 0.04 -3.71 2.36 1.17 -1.34 0.00 0.00 175.55 174.07 2dgx n LYS 621 N 8.17 0.38 -4.42 4.97 0.00 -1.26 -2.87 118.16 123.14 2dgx n LYS 621 Ca 0.23 -0.39 -0.26 0.00 0.00 0.00 0.00 58.31 57.90 2dgx n LYS 621 Cb 0.45 -2.57 -0.11 0.00 0.00 0.00 0.00 35.03 32.80 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 9.09 2.53 0.00 3.15 1.01 -1.11 -5.00 121.20 130.88 2dgx s ILE 622 Ca 1.11 -2.11 0.00 0.00 0.00 0.00 0.00 60.65 59.64 2dgx s ILE 622 Cb -0.48 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 39.73 2dgx s ILE 622 CO 0.30 -0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.63 2dgx n GLY 623 N -0.11 1.98 0.06 6.18 0.00 -1.26 -0.92 105.19 111.12 2dgx n GLY 623 Ca -0.10 0.50 0.01 0.00 0.00 0.00 0.00 46.02 46.43 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 4.35 1.20 -3.85 1.61 7.64 -1.26 -5.04 113.62 118.27 2dgx n SER 624 Ca 0.00 -1.13 -0.09 0.00 1.01 0.00 0.00 58.87 58.66 2dgx n SER 624 Cb 0.00 -0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.12 2dgx n SER 624 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2dgx s LYS 625 N -0.19 0.81 0.41 1.43 -2.85 -0.10 -5.04 119.74 114.22 2dgx s LYS 625 Ca 0.02 -0.86 -0.23 0.00 -1.00 0.00 0.00 55.97 53.90 2dgx s LYS 625 Cb 0.01 0.33 -0.09 0.00 -2.06 0.00 0.00 37.83 36.02 2dgx s LYS 625 CO 0.02 -0.25 1.01 0.15 0.10 0.00 0.00 175.35 176.38 2dgx s LYS 626 N -3.51 4.17 -0.19 1.78 3.01 -1.26 -2.75 119.74 120.99 2dgx s LYS 626 Ca 0.02 1.37 -0.09 0.00 -1.01 0.00 0.00 55.97 56.26 2dgx s LYS 626 Cb 0.03 -2.41 -0.05 0.00 -1.01 0.00 0.00 37.83 34.39 2dgx s LYS 626 CO -0.09 -0.11 0.13 0.96 0.51 0.00 0.00 175.35 176.75 2dgx s ILE 627 N -1.83 5.43 -0.59 2.17 -4.36 -1.14 -4.57 121.20 116.30 2dgx s ILE 627 Ca 0.59 0.19 -0.18 0.00 -0.26 0.00 0.00 60.65 61.00 2dgx s ILE 627 Cb -0.18 -3.46 0.11 0.00 1.25 0.00 0.00 42.46 40.19 2dgx s ILE 627 CO 0.22 0.47 0.67 -0.76 0.24 0.00 0.00 174.94 175.78 2dgx s LEU 628 N 0.12 5.61 0.35 0.37 1.43 0.92 0.12 118.68 127.60 2dgx s LEU 628 Ca 0.09 -1.57 -0.13 0.00 -1.03 0.00 0.00 54.13 51.49 2dgx s LEU 628 Cb -0.11 -2.28 -0.08 0.00 0.03 0.00 0.00 46.19 43.75 2dgx s LEU 628 CO -0.01 -1.04 0.73 -0.69 0.23 0.00 0.00 176.35 175.57 2dgx s VAL 629 N 2.36 4.74 -0.19 -1.59 1.01 -1.26 -1.03 120.40 124.44 2dgx s VAL 629 Ca 0.10 0.78 -0.28 0.00 0.00 0.00 0.00 61.98 62.58 2dgx s VAL 629 Cb -0.25 -3.66 0.11 0.00 0.00 0.00 0.00 36.38 32.59 2dgx s VAL 629 CO 0.05 -0.30 0.93 -0.44 0.00 0.00 0.00 175.10 175.33 2dgx s SER 630 N -2.62 -0.48 0.59 3.32 0.01 -0.01 -4.85 113.70 109.66 2dgx s SER 630 Ca 0.52 0.72 -0.13 0.00 1.31 0.00 0.00 55.95 58.37 2dgx s SER 630 Cb -0.10 0.65 -0.04 0.00 0.21 0.00 0.00 66.02 66.73 2dgx s SER 630 CO 0.23 -0.32 1.02 -0.76 0.41 0.00 0.00 173.24 173.83 2dgx s LEU 631 N -0.53 3.38 -0.20 2.44 1.43 -1.26 0.60 118.68 124.54 2dgx s LEU 631 Ca -0.02 1.56 0.01 0.00 -1.03 0.00 0.00 54.13 54.65 2dgx s LEU 631 Cb -0.02 -4.50 0.04 0.00 0.03 0.00 0.00 46.19 41.74 2dgx s LEU 631 CO 0.00 -0.91 -0.11 0.00 0.23 0.00 0.00 176.35 175.57 2dgx s ALA 632 N -2.87 2.04 0.32 4.21 0.00 -1.14 -4.74 121.76 119.58 2dgx s ALA 632 Ca 0.58 -1.22 0.07 0.00 0.00 0.00 0.00 51.96 51.39 2dgx s ALA 632 Cb -0.12 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 2dgx s ALA 632 CO 0.44 -0.80 0.26 -0.08 0.00 0.00 0.00 175.76 175.58 2dgx s THR 633 N 1.38 3.61 0.00 0.00 -1.32 -1.26 -4.73 115.64 113.32 2dgx s THR 633 Ca -0.01 -1.41 0.00 0.00 -1.21 0.00 0.00 61.69 59.06 2dgx s THR 633 Cb -0.16 -3.19 0.00 0.00 -1.51 0.00 0.00 72.50 67.63 2dgx s THR 633 CO -0.08 -0.20 0.00 0.61 -2.21 0.00 0.00 174.62 172.74 2dgx n GLY 634 N -1.32 1.71 3.71 6.08 0.00 -1.26 -5.04 105.19 109.06 2dgx n GLY 634 Ca -0.03 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 2dgx n GLY 634 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dgx n ALA 635 N -3.00 1.11 -0.28 4.61 0.00 -1.26 -4.88 120.51 116.82 2dgx n ALA 635 Ca 0.00 0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.56 2dgx n ALA 635 Cb 0.00 -2.30 0.19 0.00 0.00 0.00 0.00 19.45 17.34 2dgx n ALA 635 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2dgx h SER 636 N 0.82 -0.35 -4.08 0.00 4.64 -2.08 -3.47 113.55 109.02 2dgx h SER 636 Ca -0.50 0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2dgx h SER 636 Cb 1.33 0.36 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 2dgx h SER 636 CO 0.54 -0.20 0.00 0.61 -0.87 0.00 0.00 176.83 176.91 2dgx n GLY 637 N -1.43 -2.35 3.66 -0.77 0.00 -1.26 -4.88 105.19 98.15 2dgx n GLY 637 Ca 0.16 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 2dgx n GLY 637 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dgx s PRO 638 N -3.91 4.21 0.54 1.61 0.04 -1.26 -4.99 135.00 131.23 2dgx s PRO 638 Ca 0.00 2.02 -0.20 0.00 0.04 0.00 0.00 61.00 62.86 2dgx s PRO 638 Cb 0.00 -3.87 -0.06 0.00 0.04 0.00 0.00 34.50 30.61 2dgx s PRO 638 CO 0.00 -0.77 1.13 -1.54 0.04 0.00 0.00 177.00 175.86 2dgx s SER 639 N 2.76 5.78 -1.40 6.66 1.04 -1.26 -3.38 113.70 123.89 2dgx s SER 639 Ca 0.67 2.17 -0.09 0.00 0.48 0.00 0.00 55.95 59.18 2dgx s SER 639 Cb -0.30 -2.58 0.04 0.00 0.10 0.00 0.00 66.02 63.28 2dgx s SER 639 CO 0.25 -1.18 1.05 -1.20 0.98 0.00 0.00 173.24 173.14 2dgx n SER 640 N -1.24 -4.89 -0.29 7.02 7.64 -1.26 -5.33 113.62 115.28 2dgx n SER 640 Ca 0.11 -0.66 0.04 0.00 1.01 0.00 0.00 58.87 59.37 2dgx n SER 640 Cb 0.51 -4.54 0.03 0.00 -1.01 0.00 0.00 64.21 59.20 2dgx n SER 640 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64