#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 6.20 -0.21 1.61 0.15 -1.26 -5.04 113.70 115.16 2dgx s SER 547 Ca 0.00 -0.82 0.01 0.00 0.70 0.00 0.00 55.95 55.84 2dgx s SER 547 Cb 0.00 -2.24 0.03 0.00 -1.71 0.00 0.00 66.02 62.10 2dgx s SER 547 CO 0.00 -0.68 -0.15 -0.55 1.20 0.00 0.00 173.24 173.06 2dgx s SER 548 N 2.17 3.64 0.82 5.45 0.15 -1.26 -5.11 113.70 119.56 2dgx s SER 548 Ca 0.12 -0.82 -0.15 0.00 0.70 0.00 0.00 55.95 55.80 2dgx s SER 548 Cb -0.19 -1.54 -0.04 0.00 -1.71 0.00 0.00 66.02 62.55 2dgx s SER 548 CO 0.12 -0.06 0.26 0.61 1.20 0.00 0.00 173.24 175.38 2dgx n GLY 549 N 4.60 -2.23 3.30 9.45 0.00 -1.26 -4.87 105.19 114.18 2dgx n GLY 549 Ca -0.19 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 2dgx n GLY 549 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dgx n SER 550 N 0.09 -3.16 -3.38 1.61 3.41 -1.26 -5.02 113.62 105.91 2dgx n SER 550 Ca 0.07 0.34 -0.05 0.00 -0.26 0.00 0.00 58.87 58.98 2dgx n SER 550 Cb 0.52 -1.06 -0.06 0.00 -0.26 0.00 0.00 64.21 63.34 2dgx n SER 550 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dgx s SER 551 N -1.59 -0.42 0.00 4.04 0.01 -1.26 -4.97 113.70 109.50 2dgx s SER 551 Ca 0.53 0.67 0.00 0.00 1.31 0.00 0.00 55.95 58.47 2dgx s SER 551 Cb -0.24 1.55 0.00 0.00 0.21 0.00 0.00 66.02 67.55 2dgx s SER 551 CO 0.70 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.70 2dgx n GLY 552 N 5.40 2.84 3.29 3.44 0.00 -1.26 -5.03 105.19 113.86 2dgx n GLY 552 Ca -0.05 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.04 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 2.14 0.00 1.61 4.22 -1.26 -4.35 114.94 117.30 2dgx s ASN 553 Ca 0.00 -0.99 0.00 0.00 -2.14 0.00 0.00 52.86 49.73 2dgx s ASN 553 Cb 0.00 -0.07 0.00 0.00 1.28 0.00 0.00 41.25 42.46 2dgx s ASN 553 CO 0.00 -0.24 0.00 0.61 -2.04 0.00 0.00 177.10 175.43 2dgx n GLY 554 N -0.16 1.26 2.83 0.45 0.00 -1.26 -4.92 105.19 103.38 2dgx n GLY 554 Ca -0.10 -2.20 -0.20 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.36 0.55 -0.25 4.61 0.00 -1.15 -4.78 121.76 119.38 2dgx s ALA 555 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.95 2dgx s ALA 555 Cb 0.00 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.68 2dgx s ALA 555 CO 0.00 -0.15 -0.06 -0.51 0.00 0.00 0.00 175.76 175.04 2dgx s ASP 556 N 1.22 4.29 -0.42 0.00 1.11 -1.26 -1.04 116.67 120.58 2dgx s ASP 556 Ca -0.07 -0.83 -0.14 0.00 0.18 0.00 0.00 52.55 51.70 2dgx s ASP 556 Cb -0.14 -1.67 0.04 0.00 1.07 0.00 0.00 42.92 42.22 2dgx s ASP 556 CO -0.02 -0.12 0.30 -0.69 1.18 0.00 0.00 175.17 175.82 2dgx s VAL 557 N 1.34 5.03 -0.22 -1.27 1.01 -0.38 -1.27 120.40 124.64 2dgx s VAL 557 Ca 0.01 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 60.85 2dgx s VAL 557 Cb -0.16 -3.87 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 2dgx s VAL 557 CO -0.04 -0.37 1.18 -1.10 0.00 0.00 0.00 175.10 174.76 2dgx s GLN 558 N 1.63 4.18 -0.14 2.72 -1.52 0.30 -0.28 119.66 126.55 2dgx s GLN 558 Ca 0.04 1.44 -0.03 0.00 -1.95 0.00 0.00 55.36 54.86 2dgx s GLN 558 Cb -0.20 -3.74 -0.03 0.00 -0.22 0.00 0.00 33.01 28.82 2dgx s GLN 558 CO 0.08 -0.77 -0.05 0.08 -0.25 0.00 0.00 175.29 174.39 2dgx s VAL 559 N 3.55 3.81 0.22 1.09 1.01 0.89 -0.91 120.40 130.07 2dgx s VAL 559 Ca 0.51 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.11 2dgx s VAL 559 Cb -0.18 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 2dgx s VAL 559 CO 0.13 0.51 0.04 -0.44 0.00 0.00 0.00 175.10 175.35 2dgx s SER 560 N 0.16 1.34 -1.06 3.32 0.01 -0.67 -1.22 113.70 115.58 2dgx s SER 560 Ca -0.02 -1.27 -0.06 0.00 1.31 0.00 0.00 55.95 55.90 2dgx s SER 560 Cb -0.14 0.11 0.01 0.00 0.21 0.00 0.00 66.02 66.21 2dgx s SER 560 CO 0.03 -0.63 0.80 -3.20 0.41 0.00 0.00 173.24 170.66 2dgx n ASN 561 N -0.38 -5.26 -4.70 2.44 5.15 -1.26 -0.24 115.26 111.01 2dgx n ASN 561 Ca -0.03 -0.37 -0.41 0.00 -0.60 0.00 0.00 54.58 53.17 2dgx n ASN 561 Cb 0.65 -3.91 -0.04 0.00 -0.53 0.00 0.00 39.78 35.94 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 -3.19 4.95 -0.64 -1.44 1.01 -1.18 -3.82 121.20 116.88 2dgx s ILE 562 Ca 0.40 1.67 -0.26 0.00 0.00 0.00 0.00 60.65 62.46 2dgx s ILE 562 Cb -0.18 -4.15 -0.11 0.00 0.01 0.00 0.00 42.46 38.03 2dgx s ILE 562 CO 0.49 0.16 2.43 -0.67 0.00 0.00 0.00 174.94 177.36 2dgx n ASP 563 N 4.22 1.85 0.04 3.58 2.03 -1.26 -4.55 116.55 122.45 2dgx n ASP 563 Ca 0.02 -0.77 0.07 0.00 0.52 0.00 0.00 54.79 54.64 2dgx n ASP 563 Cb 0.51 -1.52 0.50 0.00 -0.72 0.00 0.00 41.12 39.89 2dgx n ASP 563 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 2dgx h TYR 564 N 16.58 0.37 -0.97 -0.67 -0.00 -1.88 -2.36 116.97 128.03 2dgx h TYR 564 Ca -0.14 0.01 0.32 0.00 -0.00 0.00 0.00 58.73 58.92 2dgx h TYR 564 Cb 1.18 -0.12 -0.16 0.00 -0.00 0.00 0.00 36.73 37.64 2dgx h TYR 564 CO 1.05 0.22 0.45 0.00 -0.00 0.00 0.00 178.16 179.88 2dgx h ARG 565 N 0.38 0.21 -6.95 0.10 3.08 -1.95 -3.39 114.38 105.86 2dgx h ARG 565 Ca 0.15 -0.01 -0.49 0.00 0.07 0.00 0.00 59.98 59.70 2dgx h ARG 565 Cb 0.12 -0.05 0.03 0.00 0.08 0.00 0.00 29.97 30.16 2dgx h ARG 565 CO -0.03 0.14 0.44 -0.51 -1.07 0.00 0.00 179.97 178.93 2dgx s LEU 566 N -10.54 4.16 0.74 3.04 1.43 -0.89 -5.01 118.68 111.62 2dgx s LEU 566 Ca -0.10 2.14 -0.14 0.00 -1.03 0.00 0.00 54.13 54.99 2dgx s LEU 566 Cb 0.30 -4.12 0.05 0.00 0.03 0.00 0.00 46.19 42.44 2dgx s LEU 566 CO 0.78 -0.55 1.19 -0.44 0.23 0.00 0.00 176.35 177.56 2dgx s SER 567 N -1.41 4.17 0.39 2.29 0.01 -1.26 -4.83 113.70 113.06 2dgx s SER 567 Ca 0.57 2.29 0.08 0.00 1.31 0.00 0.00 55.95 60.21 2dgx s SER 567 Cb -0.25 -2.58 0.81 0.00 0.21 0.00 0.00 66.02 64.20 2dgx s SER 567 CO 0.31 -2.27 1.96 0.03 0.41 0.00 0.00 173.24 173.68 2dgx h ARG 568 N -0.43 0.34 -0.01 12.44 3.08 -1.95 -1.20 114.38 126.66 2dgx h ARG 568 Ca -0.47 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 59.35 2dgx h ARG 568 Cb 1.29 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.26 2dgx h ARG 568 CO 0.49 0.37 -0.79 -0.22 -1.07 0.00 0.00 179.97 178.76 2dgx h LYS 569 N 0.33 0.12 0.00 0.04 3.64 -1.99 -1.28 116.57 117.44 2dgx h LYS 569 Ca 0.08 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2dgx h LYS 569 Cb 0.24 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2dgx h LYS 569 CO 0.01 0.84 -0.03 1.49 -2.27 0.00 0.00 179.45 179.49 2dgx h GLU 570 N 0.07 0.00 0.00 1.90 4.57 -1.75 -3.21 114.58 116.17 2dgx h GLU 570 Ca -0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2dgx h GLU 570 Cb 1.38 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.97 2dgx h GLU 570 CO 0.11 0.03 -0.41 1.28 -1.18 0.00 0.00 179.01 178.84 2dgx n LEU 571 N -3.11 1.47 -0.04 1.64 4.77 -0.52 -3.02 117.00 118.19 2dgx n LEU 571 Ca 0.03 0.57 0.23 0.00 -0.03 0.00 0.00 56.01 56.81 2dgx n LEU 571 Cb 0.51 -0.80 0.55 0.00 -2.33 0.00 0.00 43.42 41.34 2dgx n LEU 571 CO 0.33 -0.48 1.21 0.06 -1.33 0.00 0.00 177.39 177.18 2dgx h GLN 572 N -0.81 0.00 0.11 3.23 -0.00 -1.39 0.56 115.11 116.81 2dgx h GLN 572 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 58.38 2dgx h GLN 572 Cb 0.41 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.89 2dgx h GLN 572 CO 0.00 0.00 -1.40 -0.56 -0.00 0.00 0.00 178.83 176.87 2dgx h GLN 573 N 0.00 0.24 -0.17 0.06 3.07 -1.71 -3.17 115.11 113.42 2dgx h GLN 573 Ca 0.33 -0.41 -0.03 0.00 0.09 0.00 0.00 58.65 58.63 2dgx h GLN 573 Cb 2.09 0.15 -0.01 0.00 0.08 0.00 0.00 27.48 29.80 2dgx h GLN 573 CO -0.00 1.20 0.01 -0.07 0.09 0.00 0.00 178.83 180.05 2dgx h LEU 574 N -0.31 0.29 -0.05 0.06 3.38 0.04 -2.13 115.31 116.59 2dgx h LEU 574 Ca -0.30 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.39 2dgx h LEU 574 Cb 1.75 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.40 2dgx h LEU 574 CO 0.06 0.51 -0.08 -0.07 0.09 0.00 0.00 178.44 178.95 2dgx h LEU 575 N 0.05 -0.26 -1.58 1.67 3.38 -0.84 -1.71 115.31 116.03 2dgx h LEU 575 Ca 0.05 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.12 2dgx h LEU 575 Cb 0.36 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2dgx h LEU 575 CO 0.01 -0.12 0.37 -0.61 0.09 0.00 0.00 178.44 178.17 2dgx h GLN 576 N -0.12 0.51 0.39 1.13 4.15 -1.54 -2.18 115.11 117.45 2dgx h GLN 576 Ca 0.05 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 2dgx h GLN 576 Cb 0.19 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.77 2dgx h GLN 576 CO -0.12 0.33 -0.19 0.93 -1.93 0.00 0.00 178.83 177.85 2dgx h GLU 577 N 0.52 -0.51 0.46 1.69 5.08 -0.63 -0.72 114.58 120.48 2dgx h GLU 577 Ca 0.24 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 2dgx h GLU 577 Cb 0.28 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2dgx h GLU 577 CO -0.07 -0.26 -0.49 0.00 -1.00 0.00 0.00 179.01 177.19 2dgx h ALA 578 N -0.13 -1.09 -0.92 3.43 0.00 -1.00 -1.81 119.26 117.74 2dgx h ALA 578 Ca -0.05 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 54.86 2dgx h ALA 578 Cb 0.49 0.72 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 2dgx h ALA 578 CO 0.09 -1.15 0.60 0.74 0.00 0.00 0.00 179.25 179.52 2dgx h PHE 579 N -0.96 0.73 -0.88 0.00 0.04 -1.46 0.61 116.94 115.02 2dgx h PHE 579 Ca -0.05 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 2dgx h PHE 579 Cb 0.85 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.73 2dgx h PHE 579 CO -0.26 0.20 0.49 0.00 -0.60 0.00 0.00 178.31 178.15 2dgx h ALA 580 N 1.61 1.21 -0.31 2.45 0.00 -0.37 -1.59 119.26 122.27 2dgx h ALA 580 Ca 0.49 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.37 2dgx h ALA 580 Cb 1.00 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2dgx h ALA 580 CO -0.23 0.65 0.28 0.00 0.00 0.00 0.00 179.25 179.95 2dgx h ARG 581 N 1.23 0.00 0.00 0.00 3.08 -0.07 -3.05 114.38 115.57 2dgx h ARG 581 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 2dgx h ARG 581 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2dgx h ARG 581 CO -0.05 0.00 -0.28 0.45 -1.07 0.00 0.00 179.97 179.02 2dgx h HIS 582 N 0.00 0.00 0.00 3.04 3.86 -1.32 -3.51 115.15 117.23 2dgx h HIS 582 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 2dgx h HIS 582 Cb 0.70 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.17 2dgx h HIS 582 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 2dgx n GLY 583 N 1.70 3.80 3.01 2.45 0.00 -0.74 -5.05 105.19 110.37 2dgx n GLY 583 Ca -0.04 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 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 3.99 1.99 -0.01 1.61 2.47 -1.26 -4.50 119.74 124.03 2dgx s LYS 584 Ca 0.00 -1.15 -0.30 0.00 -1.56 0.00 0.00 55.97 52.96 2dgx s LYS 584 Cb 0.00 -2.72 -0.06 0.00 -1.46 0.00 0.00 37.83 33.59 2dgx s LYS 584 CO 0.00 -0.56 1.57 0.08 0.16 0.00 0.00 175.35 176.59 2dgx s VAL 585 N 1.25 3.49 -0.11 4.02 1.01 -1.26 -1.47 120.40 127.32 2dgx s VAL 585 Ca -0.07 0.79 -0.06 0.00 0.00 0.00 0.00 61.98 62.64 2dgx s VAL 585 Cb -0.19 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 2dgx s VAL 585 CO -0.06 -0.03 0.13 0.50 0.00 0.00 0.00 175.10 175.64 2dgx h LYS 586 N 8.65 0.00 -3.37 2.72 1.63 -0.10 -3.45 116.57 122.66 2dgx h LYS 586 Ca -0.39 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.38 2dgx h LYS 586 Cb 1.18 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 32.70 2dgx h LYS 586 CO 0.93 0.20 -0.01 -1.54 -3.45 0.00 0.00 179.45 175.58 2dgx s SER 587 N -5.71 -0.23 -0.16 4.20 1.04 -0.82 -4.98 113.70 107.04 2dgx s SER 587 Ca -0.05 -0.50 -0.01 0.00 0.48 0.00 0.00 55.95 55.87 2dgx s SER 587 Cb -0.00 0.55 0.05 0.00 0.10 0.00 0.00 66.02 66.72 2dgx s SER 587 CO 0.15 -1.02 -0.02 -0.69 0.98 0.00 0.00 173.24 172.64 2dgx s VAL 588 N -3.87 0.85 0.05 5.02 1.01 -1.26 0.14 120.40 122.33 2dgx s VAL 588 Ca 0.09 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.60 2dgx s VAL 588 Cb -0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 2dgx s VAL 588 CO -0.04 0.05 -0.04 -1.61 0.00 0.00 0.00 175.10 173.46 2dgx s GLU 589 N 1.74 2.51 0.10 2.72 0.41 -0.63 -5.00 118.70 120.56 2dgx s GLU 589 Ca 0.01 -0.79 0.10 0.00 -0.41 0.00 0.00 54.97 53.88 2dgx s GLU 589 Cb -0.15 -2.51 -0.04 0.00 -1.78 0.00 0.00 34.13 29.65 2dgx s GLU 589 CO -0.07 0.57 -0.26 -0.51 -0.49 0.00 0.00 175.26 174.50 2dgx s LEU 590 N -1.85 2.28 0.48 1.80 1.43 -1.26 -1.33 118.68 120.23 2dgx s LEU 590 Ca 0.21 -0.70 -0.18 0.00 -1.03 0.00 0.00 54.13 52.43 2dgx s LEU 590 Cb -0.11 -1.20 -0.09 0.00 0.03 0.00 0.00 46.19 44.81 2dgx s LEU 590 CO 0.12 0.19 0.97 -0.44 0.23 0.00 0.00 176.35 177.43 2dgx s SER 591 N -1.82 6.72 0.00 2.29 0.01 -0.40 -4.94 113.70 115.56 2dgx s SER 591 Ca 0.13 1.63 0.15 0.00 1.31 0.00 0.00 55.95 59.17 2dgx s SER 591 Cb -0.10 -2.52 0.75 0.00 0.21 0.00 0.00 66.02 64.36 2dgx s SER 591 CO 0.05 -0.52 1.40 -0.81 0.41 0.00 0.00 173.24 173.77 2dgx n PRO 592 N -1.21 0.22 -2.23 12.44 -0.04 -1.26 -4.77 135.00 138.15 2dgx n PRO 592 Ca 0.07 0.14 -0.41 0.00 -0.04 0.00 0.00 63.50 63.25 2dgx n PRO 592 Cb 0.54 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 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 -2.54 3.27 -0.34 0.54 3.76 -1.26 -4.94 115.29 113.78 2dgx s HIS 593 Ca 0.14 1.23 0.06 0.00 -0.15 0.00 0.00 55.06 56.34 2dgx s HIS 593 Cb 0.10 -3.59 0.46 0.00 1.11 0.00 0.00 32.58 30.66 2dgx s HIS 593 CO 0.22 -1.85 1.35 0.25 -0.85 0.00 0.00 174.74 173.86 2dgx n THR 594 N 2.68 2.66 -4.04 1.30 -2.24 -1.26 -4.64 114.28 108.73 2dgx n THR 594 Ca 0.06 -3.75 -0.14 0.00 -2.27 0.00 0.00 64.05 57.95 2dgx n THR 594 Cb 0.43 -0.94 -0.03 0.00 -2.10 0.00 0.00 70.33 67.68 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 -0.84 -1.08 -0.12 3.42 9.92 -1.26 -4.99 116.55 121.59 2dgx n ASP 595 Ca 0.43 -2.70 0.25 0.00 -0.53 0.00 0.00 54.79 52.23 2dgx n ASP 595 Cb 0.90 2.08 0.46 0.00 -0.64 0.00 0.00 41.12 43.93 2dgx n ASP 595 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 2dgx h TYR 596 N 1.90 0.00 -0.34 1.24 -0.00 -1.95 0.47 116.97 118.28 2dgx h TYR 596 Ca -0.23 0.00 -0.22 0.00 -0.00 0.00 0.00 58.73 58.28 2dgx h TYR 596 Cb 1.04 0.00 -0.10 0.00 -0.00 0.00 0.00 36.73 37.67 2dgx h TYR 596 CO 0.00 0.00 0.28 1.04 -0.00 0.00 0.00 178.16 179.48 2dgx n GLN 597 N -3.26 1.54 -2.91 0.10 6.02 -1.26 -4.65 117.38 112.96 2dgx n GLN 597 Ca 0.19 -1.10 -0.43 0.00 -0.01 0.00 0.00 57.00 55.65 2dgx n GLN 597 Cb 1.34 -1.43 -0.05 0.00 1.02 0.00 0.00 30.24 31.12 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 -1.26 4.16 0.00 1.08 2.96 0.16 -4.72 118.68 121.05 2dgx s LEU 598 Ca 0.22 0.01 0.06 0.00 -0.22 0.00 0.00 54.13 54.19 2dgx s LEU 598 Cb 0.17 -3.05 0.06 0.00 0.50 0.00 0.00 46.19 43.87 2dgx s LEU 598 CO 0.01 -0.95 0.49 0.29 -1.32 0.00 0.00 176.35 174.87 2dgx n LYS 599 N 6.85 0.70 -3.69 1.98 5.02 -1.26 -3.13 118.16 124.63 2dgx n LYS 599 Ca 0.04 -3.14 -0.03 0.00 -2.02 0.00 0.00 58.31 53.15 2dgx n LYS 599 Cb 0.48 0.18 -0.01 0.00 -0.02 0.00 0.00 35.03 35.66 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 -2.72 -1.81 -0.17 7.82 0.00 -0.36 -1.28 121.76 123.25 2dgx s ALA 600 Ca 0.38 0.42 -0.03 0.00 0.00 0.00 0.00 51.96 52.72 2dgx s ALA 600 Cb -0.03 0.52 0.06 0.00 0.00 0.00 0.00 23.12 23.67 2dgx s ALA 600 CO 0.24 -0.98 0.04 0.08 0.00 0.00 0.00 175.76 175.14 2dgx s VAL 601 N -3.05 0.38 -0.44 0.00 1.01 -0.44 -0.08 120.40 117.78 2dgx s VAL 601 Ca 0.12 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.52 2dgx s VAL 601 Cb -0.00 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.54 2dgx s VAL 601 CO -0.01 -0.15 0.62 -0.69 0.00 0.00 0.00 175.10 174.87 2dgx s VAL 602 N 1.93 4.86 0.09 2.92 1.01 0.62 -1.60 120.40 130.23 2dgx s VAL 602 Ca 0.00 -0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.68 2dgx s VAL 602 Cb -0.16 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 2dgx s VAL 602 CO -0.08 -0.60 0.97 -1.58 0.00 0.00 0.00 175.10 173.82 2dgx s GLN 603 N 2.73 4.67 0.02 2.72 2.00 0.12 -1.25 119.66 130.67 2dgx s GLN 603 Ca 0.21 1.46 0.06 0.00 -2.00 0.00 0.00 55.36 55.09 2dgx s GLN 603 Cb -0.15 -3.39 -0.03 0.00 0.80 0.00 0.00 33.01 30.24 2dgx s GLN 603 CO 0.18 0.15 -0.17 -1.64 -0.50 0.00 0.00 175.29 173.31 2dgx s MET 604 N 0.19 2.16 0.05 1.67 -1.94 -0.20 0.62 119.30 121.84 2dgx s MET 604 Ca 0.48 -0.92 -0.30 0.00 -1.71 0.00 0.00 55.69 53.24 2dgx s MET 604 Cb -0.23 -2.22 -0.18 0.00 2.01 0.00 0.00 34.83 34.21 2dgx s MET 604 CO 0.30 0.56 1.49 0.93 -0.01 0.00 0.00 175.02 178.28 2dgx h GLU 605 N 4.70 -0.74 -6.11 2.03 4.39 -1.56 -3.04 114.58 114.24 2dgx h GLU 605 Ca -0.47 0.05 -0.59 0.00 0.34 0.00 0.00 59.36 58.69 2dgx h GLU 605 Cb 1.15 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.94 2dgx h GLU 605 CO 0.48 -0.46 -0.36 1.21 -1.16 0.00 0.00 179.01 178.73 2dgx s ASN 606 N -4.58 6.45 -0.01 1.42 2.47 -1.26 -4.58 114.94 114.84 2dgx s ASN 606 Ca -0.16 0.50 -0.21 0.00 0.42 0.00 0.00 52.86 53.41 2dgx s ASN 606 Cb 0.03 -2.06 -0.12 0.00 -1.45 0.00 0.00 41.25 37.65 2dgx s ASN 606 CO 0.58 0.07 0.88 0.25 -3.72 0.00 0.00 177.10 175.17 2dgx h LEU 607 N 2.82 -0.57 -0.58 3.21 7.12 -1.86 -3.27 115.31 122.19 2dgx h LEU 607 Ca -0.46 -0.02 0.11 0.00 0.13 0.00 0.00 57.88 57.64 2dgx h LEU 607 Cb 1.17 0.15 -0.11 0.00 -0.53 0.00 0.00 40.66 41.33 2dgx h LEU 607 CO 0.73 -0.15 -0.18 1.56 -0.13 0.00 0.00 178.44 180.27 2dgx h GLN 608 N -1.13 -0.04 -1.20 1.25 4.20 -1.98 0.18 115.11 116.39 2dgx h GLN 608 Ca -0.07 0.00 0.41 0.00 0.06 0.00 0.00 58.65 59.05 2dgx h GLN 608 Cb 0.55 0.01 -0.14 0.00 0.30 0.00 0.00 27.48 28.20 2dgx h GLN 608 CO 0.11 -0.02 0.74 -0.44 -0.67 0.00 0.00 178.83 178.55 2dgx h ASP 609 N -0.04 0.31 0.01 1.46 5.19 -1.97 0.28 116.42 121.67 2dgx h ASP 609 Ca 0.27 0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 56.85 2dgx h ASP 609 Cb 0.46 0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.11 2dgx h ASP 609 CO -0.61 -0.21 -0.01 0.00 -3.12 0.00 0.00 179.24 175.30 2dgx h ALA 610 N 1.71 -0.02 -0.58 3.45 0.00 -0.69 -2.28 119.26 120.86 2dgx h ALA 610 Ca 0.80 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 55.47 2dgx h ALA 610 Cb 2.32 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 20.05 2dgx h ALA 610 CO -0.50 -0.21 -0.34 -0.89 0.00 0.00 0.00 179.25 177.31 2dgx n ILE 611 N -4.81 -0.39 -0.10 0.00 5.41 0.97 0.02 119.36 120.46 2dgx n ILE 611 Ca -0.09 1.90 -0.11 0.00 1.00 0.00 0.00 62.75 65.46 2dgx n ILE 611 Cb 0.30 -2.40 -0.03 0.00 -0.71 0.00 0.00 39.64 36.80 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 0.54 0.06 7.39 0.00 -1.64 -2.74 103.07 106.68 2dgx h GLY 612 Ca 0.09 -0.36 0.26 0.00 0.00 0.00 0.00 47.33 47.32 2dgx h GLY 612 CO -0.54 0.33 0.67 0.00 0.00 0.00 0.00 176.54 177.00 2dgx h ALA 613 N 0.87 2.59 0.19 3.60 0.00 -0.51 0.54 119.26 126.55 2dgx h ALA 613 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2dgx h ALA 613 Cb 0.35 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2dgx h ALA 613 CO 0.01 -0.90 -0.09 0.28 0.00 0.00 0.00 179.25 178.54 2dgx h VAL 614 N 0.19 0.49 0.00 0.00 2.07 -0.13 0.63 116.25 119.51 2dgx h VAL 614 Ca 0.50 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2dgx h VAL 614 Cb 1.62 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 2dgx h VAL 614 CO -0.12 0.14 0.00 0.59 0.02 0.00 0.00 177.57 178.20 2dgx n ASN 615 N -4.94 0.63 -0.07 0.57 3.02 -0.76 -0.66 115.26 113.04 2dgx n ASN 615 Ca -0.06 0.72 -0.06 0.00 -0.03 0.00 0.00 54.58 55.15 2dgx n ASN 615 Cb 0.21 -0.83 -0.02 0.00 -0.61 0.00 0.00 39.78 38.53 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 -2.27 1.83 0.00 6.41 7.64 0.18 -4.24 113.62 123.17 2dgx n SER 616 Ca 0.00 0.58 0.06 0.00 1.01 0.00 0.00 58.87 60.52 2dgx n SER 616 Cb 0.13 -0.85 0.26 0.00 -1.01 0.00 0.00 64.21 62.75 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 -4.58 0.00 -4.66 -3.43 4.77 0.21 -4.80 117.00 104.50 2dgx n LEU 617 Ca -0.09 0.44 -0.58 0.00 -0.03 0.00 0.00 56.01 55.75 2dgx n LEU 617 Cb 0.32 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 40.90 2dgx n LEU 617 CO 0.13 -0.26 1.10 1.57 -1.33 0.00 0.00 177.39 178.59 2dgx n HIS 618 N -1.44 1.69 -2.79 -1.77 -0.00 0.16 0.72 115.22 111.80 2dgx n HIS 618 Ca 0.04 0.74 -0.21 0.00 0.46 0.00 0.00 57.72 58.75 2dgx n HIS 618 Cb 0.12 -2.34 0.02 0.00 -0.12 0.00 0.00 29.99 27.67 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 3.93 -3.68 -1.72 1.57 5.12 0.18 -4.88 116.66 117.18 2dgx n ARG 619 Ca 0.24 0.90 -0.43 0.00 -1.93 0.00 0.00 57.85 56.63 2dgx n ARG 619 Cb 0.10 -5.61 -0.03 0.00 -1.16 0.00 0.00 32.46 25.77 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 -3.10 1.36 -0.83 -1.55 5.04 0.22 -4.58 117.35 113.91 2dgx s TYR 620 Ca 0.20 0.37 -0.21 0.00 -2.44 0.00 0.00 57.07 54.99 2dgx s TYR 620 Cb -0.09 -4.02 -0.19 0.00 0.35 0.00 0.00 41.96 38.02 2dgx s TYR 620 CO 0.24 -4.09 2.20 1.17 -1.34 0.00 0.00 175.55 173.73 2dgx n LYS 621 N 8.40 0.31 -4.23 4.97 0.00 -1.26 -3.06 118.16 123.29 2dgx n LYS 621 Ca 0.26 -0.77 -0.25 0.00 0.00 0.00 0.00 58.31 57.55 2dgx n LYS 621 Cb 0.45 -2.97 -0.07 0.00 0.00 0.00 0.00 35.03 32.43 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 11.10 3.67 0.00 3.15 1.01 -1.13 -5.01 121.20 133.99 2dgx s ILE 622 Ca 0.92 -1.57 0.00 0.00 0.00 0.00 0.00 60.65 60.01 2dgx s ILE 622 Cb -0.26 -2.89 0.00 0.00 0.01 0.00 0.00 42.46 39.32 2dgx s ILE 622 CO 0.20 -0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.55 2dgx n GLY 623 N -0.40 1.42 0.06 6.18 0.00 -1.26 -0.99 105.19 110.20 2dgx n GLY 623 Ca -0.09 0.33 0.05 0.00 0.00 0.00 0.00 46.02 46.32 2dgx n GLY 623 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dgx n SER 624 N 2.16 2.04 -3.80 1.61 2.88 -1.26 -5.03 113.62 112.21 2dgx n SER 624 Ca 0.00 -2.53 -0.12 0.00 -1.33 0.00 0.00 58.87 54.89 2dgx n SER 624 Cb 0.00 -0.23 -0.09 0.00 -0.75 0.00 0.00 64.21 63.14 2dgx n SER 624 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2dgx s LYS 625 N -1.90 0.65 -0.20 -1.46 1.02 -0.16 -5.01 119.74 112.67 2dgx s LYS 625 Ca 0.17 -0.36 -0.24 0.00 0.02 0.00 0.00 55.97 55.56 2dgx s LYS 625 Cb 0.14 0.28 -0.01 0.00 -0.52 0.00 0.00 37.83 37.72 2dgx s LYS 625 CO 0.02 -0.18 0.77 0.15 -0.92 0.00 0.00 175.35 175.19 2dgx s LYS 626 N -1.71 4.23 0.08 1.68 3.01 -1.26 -2.85 119.74 122.92 2dgx s LYS 626 Ca -0.11 0.88 -0.28 0.00 -1.01 0.00 0.00 55.97 55.45 2dgx s LYS 626 Cb -0.05 -3.60 -0.06 0.00 -1.01 0.00 0.00 37.83 33.12 2dgx s LYS 626 CO 0.01 -0.37 0.87 0.96 0.51 0.00 0.00 175.35 177.34 2dgx s ILE 627 N 2.32 4.62 -0.38 2.17 -4.36 -1.17 -4.70 121.20 119.69 2dgx s ILE 627 Ca 0.34 1.87 -0.12 0.00 -0.26 0.00 0.00 60.65 62.49 2dgx s ILE 627 Cb -0.16 -4.23 0.03 0.00 1.25 0.00 0.00 42.46 39.35 2dgx s ILE 627 CO 0.10 0.33 0.23 -0.76 0.24 0.00 0.00 174.94 175.09 2dgx s LEU 628 N 0.01 4.82 0.24 0.37 1.43 0.67 0.50 118.68 126.71 2dgx s LEU 628 Ca 0.43 -0.97 -0.18 0.00 -1.03 0.00 0.00 54.13 52.39 2dgx s LEU 628 Cb -0.22 -2.06 -0.08 0.00 0.03 0.00 0.00 46.19 43.86 2dgx s LEU 628 CO 0.27 -0.40 0.70 -0.69 0.23 0.00 0.00 176.35 176.45 2dgx s VAL 629 N 1.59 4.64 -0.28 -1.59 1.01 -1.26 -1.68 120.40 122.83 2dgx s VAL 629 Ca 0.03 1.12 -0.17 0.00 0.00 0.00 0.00 61.98 62.96 2dgx s VAL 629 Cb -0.19 -3.78 0.10 0.00 0.00 0.00 0.00 36.38 32.51 2dgx s VAL 629 CO 0.08 0.11 0.77 -0.44 0.00 0.00 0.00 175.10 175.62 2dgx s SER 630 N -1.82 -0.81 1.03 3.32 0.01 -0.09 -4.87 113.70 110.47 2dgx s SER 630 Ca 0.45 1.32 -0.12 0.00 1.31 0.00 0.00 55.95 58.91 2dgx s SER 630 Cb -0.15 1.33 0.21 0.00 0.21 0.00 0.00 66.02 67.63 2dgx s SER 630 CO 0.20 -0.21 1.08 -0.76 0.41 0.00 0.00 173.24 173.95 2dgx s LEU 631 N 1.44 1.70 0.09 2.44 1.43 -1.26 0.11 118.68 124.63 2dgx s LEU 631 Ca -0.09 1.67 0.07 0.00 -1.03 0.00 0.00 54.13 54.75 2dgx s LEU 631 Cb -0.05 -3.83 -0.03 0.00 0.03 0.00 0.00 46.19 42.31 2dgx s LEU 631 CO -0.17 -3.53 -0.18 0.00 0.23 0.00 0.00 176.35 172.71 2dgx s ALA 632 N -2.64 1.53 -0.03 4.21 0.00 -0.40 -4.55 121.76 119.87 2dgx s ALA 632 Ca 0.67 -1.12 0.01 0.00 0.00 0.00 0.00 51.96 51.51 2dgx s ALA 632 Cb -0.23 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.73 2dgx s ALA 632 CO 0.61 0.28 -0.04 0.95 0.00 0.00 0.00 175.76 177.56 2dgx s THR 633 N -1.18 0.42 0.00 0.00 -4.23 -1.26 -4.69 115.64 104.70 2dgx s THR 633 Ca 0.03 -0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 2dgx s THR 633 Cb -0.10 -0.45 0.00 0.00 1.34 0.00 0.00 72.50 73.29 2dgx s THR 633 CO 0.03 0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.91 2dgx n GLY 634 N 3.82 1.59 0.06 3.99 0.00 -1.26 -5.06 105.19 108.33 2dgx n GLY 634 Ca -0.23 -1.73 -0.03 0.00 0.00 0.00 0.00 46.02 44.03 2dgx n GLY 634 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dgx h ALA 635 N -1.32 0.00 -2.73 4.61 0.00 -2.01 -3.46 119.26 114.35 2dgx h ALA 635 Ca 0.00 -0.32 -0.58 0.00 0.00 0.00 0.00 54.91 54.01 2dgx h ALA 635 Cb 0.00 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.03 2dgx h ALA 635 CO 0.00 0.32 0.01 -1.54 0.00 0.00 0.00 179.25 178.05 2dgx s SER 636 N -5.67 6.77 1.04 0.00 1.04 -1.26 -5.07 113.70 110.54 2dgx s SER 636 Ca -0.09 0.92 -0.08 0.00 0.48 0.00 0.00 55.95 57.17 2dgx s SER 636 Cb 0.01 -2.34 0.11 0.00 0.10 0.00 0.00 66.02 63.90 2dgx s SER 636 CO 0.14 -0.13 0.58 0.61 0.98 0.00 0.00 173.24 175.41 2dgx n GLY 637 N 3.42 -1.71 0.00 7.32 0.00 -1.26 -4.49 105.19 108.48 2dgx n GLY 637 Ca -0.03 -1.62 0.07 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.52 0.01 -4.10 1.61 -0.04 -1.26 -4.77 135.00 123.92 2dgx n PRO 638 Ca 0.07 0.25 -0.30 0.00 -0.04 0.00 0.00 63.50 63.49 2dgx n PRO 638 Cb 0.27 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.19 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 -1.49 -1.26 -4.63 3.54 7.64 -1.26 -4.92 113.62 111.23 2dgx n SER 639 Ca 0.04 -1.04 -0.37 0.00 1.01 0.00 0.00 58.87 58.50 2dgx n SER 639 Cb 0.16 -2.76 -0.10 0.00 -1.01 0.00 0.00 64.21 60.51 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 -3.97 6.08 0.00 6.43 0.15 -1.26 -5.27 113.70 115.87 2dgx s SER 640 Ca 0.28 0.07 0.00 0.00 0.70 0.00 0.00 55.95 57.00 2dgx s SER 640 Cb -0.15 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 2dgx s SER 640 CO 0.92 0.02 0.39 0.61 1.20 0.00 0.00 173.24 176.38