#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 1.63 -4.13 1.61 3.41 -1.26 -5.03 113.62 109.84 2dgx n SER 547 Ca 0.00 0.27 -0.22 0.00 -0.26 0.00 0.00 58.87 58.67 2dgx n SER 547 Cb 0.00 -0.64 -0.14 0.00 -0.26 0.00 0.00 64.21 63.17 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 -6.46 1.71 0.00 4.04 0.01 -1.26 -5.03 113.70 106.71 2dgx s SER 548 Ca -0.26 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.65 2dgx s SER 548 Cb 0.08 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.15 2dgx s SER 548 CO 0.36 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.74 2dgx n GLY 549 N 2.37 0.23 3.60 3.44 0.00 -1.26 -5.10 105.19 108.47 2dgx n GLY 549 Ca -0.16 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 6.59 -0.07 1.61 0.15 -1.26 -4.91 113.70 115.80 2dgx s SER 550 Ca 0.00 0.53 -0.04 0.00 0.70 0.00 0.00 55.95 57.14 2dgx s SER 550 Cb 0.00 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.74 2dgx s SER 550 CO 0.00 -1.28 0.19 0.28 1.20 0.00 0.00 173.24 173.63 2dgx h SER 551 N 9.44 -0.13 0.00 5.45 0.02 -2.05 -3.50 113.55 122.77 2dgx h SER 551 Ca -0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2dgx h SER 551 Cb 1.07 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2dgx h SER 551 CO 1.12 0.31 0.00 0.61 -1.14 0.00 0.00 176.83 177.73 2dgx n GLY 552 N 1.37 -1.46 2.69 -3.77 0.00 -1.26 -5.09 105.19 97.67 2dgx n GLY 552 Ca -0.02 0.52 -0.27 0.00 0.00 0.00 0.00 46.02 46.26 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 -4.00 2.58 0.00 1.61 2.47 -1.26 -5.13 114.94 111.21 2dgx s ASN 553 Ca 0.00 -0.68 0.00 0.00 0.42 0.00 0.00 52.86 52.60 2dgx s ASN 553 Cb 0.00 -0.45 0.00 0.00 -1.45 0.00 0.00 41.25 39.35 2dgx s ASN 553 CO 0.00 -0.31 0.00 0.61 -3.72 0.00 0.00 177.10 173.68 2dgx n GLY 554 N 5.14 4.43 2.79 1.21 0.00 -1.26 -4.97 105.19 112.53 2dgx n GLY 554 Ca -0.08 -1.77 -0.20 0.00 0.00 0.00 0.00 46.02 43.97 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 0.54 -0.33 4.61 0.00 -1.07 -4.69 121.76 118.83 2dgx s ALA 555 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 51.96 51.93 2dgx s ALA 555 Cb 0.00 -0.56 0.06 0.00 0.00 0.00 0.00 23.12 22.62 2dgx s ALA 555 CO 0.00 -0.28 0.05 -0.51 0.00 0.00 0.00 175.76 175.02 2dgx s ASP 556 N 1.56 5.02 -0.46 0.00 1.11 -1.26 -0.15 116.67 122.48 2dgx s ASP 556 Ca -0.02 -1.41 -0.17 0.00 0.18 0.00 0.00 52.55 51.14 2dgx s ASP 556 Cb -0.13 -1.76 0.05 0.00 1.07 0.00 0.00 42.92 42.15 2dgx s ASP 556 CO -0.03 -0.33 0.48 -0.69 1.18 0.00 0.00 175.17 175.78 2dgx s VAL 557 N 1.25 5.08 -0.17 -1.27 1.01 -0.02 -2.36 120.40 123.93 2dgx s VAL 557 Ca -0.02 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 2dgx s VAL 557 Cb -0.20 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 2dgx s VAL 557 CO -0.01 -0.59 1.18 -1.10 0.00 0.00 0.00 175.10 174.57 2dgx s GLN 558 N 2.10 4.26 -0.12 2.72 -1.52 0.20 -0.21 119.66 127.09 2dgx s GLN 558 Ca 0.10 1.56 0.02 0.00 -1.95 0.00 0.00 55.36 55.09 2dgx s GLN 558 Cb -0.20 -3.70 -0.00 0.00 -0.22 0.00 0.00 33.01 28.89 2dgx s GLN 558 CO 0.10 -0.64 -0.20 0.08 -0.25 0.00 0.00 175.29 174.38 2dgx s VAL 559 N 3.21 2.35 0.25 1.09 1.01 0.77 -0.73 120.40 128.35 2dgx s VAL 559 Ca 0.51 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.63 2dgx s VAL 559 Cb -0.20 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 2dgx s VAL 559 CO 0.13 0.54 -0.01 -0.44 0.00 0.00 0.00 175.10 175.32 2dgx s SER 560 N 0.50 2.09 -0.67 3.32 0.01 -0.69 -0.40 113.70 117.85 2dgx s SER 560 Ca -0.13 -1.22 -0.03 0.00 1.31 0.00 0.00 55.95 55.88 2dgx s SER 560 Cb -0.17 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.03 2dgx s SER 560 CO 0.05 -0.48 0.58 -3.20 0.41 0.00 0.00 173.24 170.60 2dgx n ASN 561 N -0.48 -3.28 -4.67 2.44 5.15 -1.23 -0.27 115.26 112.93 2dgx n ASN 561 Ca -0.05 -0.30 -0.39 0.00 -0.60 0.00 0.00 54.58 53.24 2dgx n ASN 561 Cb 0.64 -2.89 -0.07 0.00 -0.53 0.00 0.00 39.78 36.93 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 -3.18 5.12 -0.82 -1.44 1.01 -1.22 -3.95 121.20 116.72 2dgx s ILE 562 Ca 0.17 0.95 -0.16 0.00 0.00 0.00 0.00 60.65 61.60 2dgx s ILE 562 Cb -0.07 -3.83 -0.22 0.00 0.01 0.00 0.00 42.46 38.34 2dgx s ILE 562 CO 0.38 0.20 2.13 -0.67 0.00 0.00 0.00 174.94 176.98 2dgx n ASP 563 N 4.60 0.02 -0.29 3.58 2.03 -1.26 -4.72 116.55 120.51 2dgx n ASP 563 Ca -0.05 -1.21 0.12 0.00 0.52 0.00 0.00 54.79 54.16 2dgx n ASP 563 Cb 0.51 -1.10 0.27 0.00 -0.72 0.00 0.00 41.12 40.08 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 11.51 0.39 -0.72 -0.67 -0.00 -1.92 -1.20 116.97 124.36 2dgx h TYR 564 Ca 0.02 0.05 0.12 0.00 -0.00 0.00 0.00 58.73 58.92 2dgx h TYR 564 Cb 1.05 -0.04 -0.12 0.00 -0.00 0.00 0.00 36.73 37.62 2dgx h TYR 564 CO 1.29 -0.16 -0.24 0.54 -0.00 0.00 0.00 178.16 179.59 2dgx n ARG 565 N -5.18 -0.13 -1.68 0.10 1.74 -1.26 -4.37 116.66 105.88 2dgx n ARG 565 Ca 0.20 1.12 -0.41 0.00 -0.77 0.00 0.00 57.85 57.99 2dgx n ARG 565 Cb 0.64 -1.66 0.01 0.00 -1.02 0.00 0.00 32.46 30.43 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 -5.11 3.84 -4.76 0.55 4.77 -0.46 -4.93 117.00 110.90 2dgx n LEU 566 Ca 0.09 1.08 -0.37 0.00 -0.03 0.00 0.00 56.01 56.78 2dgx n LEU 566 Cb 0.32 -1.47 0.01 0.00 -2.33 0.00 0.00 43.42 39.95 2dgx n LEU 566 CO -0.09 -0.84 0.87 -0.44 -1.33 0.00 0.00 177.39 175.56 2dgx s SER 567 N -0.62 5.73 0.18 -1.43 0.01 -1.26 -4.79 113.70 111.52 2dgx s SER 567 Ca 0.62 2.44 -0.19 0.00 1.31 0.00 0.00 55.95 60.14 2dgx s SER 567 Cb -0.51 -2.61 0.12 0.00 0.21 0.00 0.00 66.02 63.23 2dgx s SER 567 CO 0.57 -1.23 1.62 0.03 0.41 0.00 0.00 173.24 174.65 2dgx h ARG 568 N 1.64 -0.12 -0.30 12.44 3.08 -1.91 0.26 114.38 129.47 2dgx h ARG 568 Ca -0.50 0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.57 2dgx h ARG 568 Cb 1.27 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.33 2dgx h ARG 568 CO 0.58 -0.08 0.20 -0.22 -1.07 0.00 0.00 179.97 179.38 2dgx h LYS 569 N -0.12 0.36 0.00 0.04 3.64 -1.99 0.14 116.57 118.64 2dgx h LYS 569 Ca 0.21 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 2dgx h LYS 569 Cb 0.46 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2dgx h LYS 569 CO -0.53 0.24 -0.15 1.49 -2.27 0.00 0.00 179.45 178.23 2dgx h GLU 570 N 0.37 0.00 0.00 1.90 4.57 -0.99 -2.79 114.58 117.64 2dgx h GLU 570 Ca 0.11 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.25 2dgx h GLU 570 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2dgx h GLU 570 CO -0.02 0.15 -0.53 -0.07 -1.18 0.00 0.00 179.01 177.36 2dgx h LEU 571 N 0.00 0.00 -1.51 1.64 3.38 0.11 -3.00 115.31 115.93 2dgx h LEU 571 Ca -0.00 -0.14 0.18 0.00 0.09 0.00 0.00 57.88 58.00 2dgx h LEU 571 Cb 0.93 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 2dgx h LEU 571 CO 0.02 0.86 0.56 0.06 0.09 0.00 0.00 178.44 180.02 2dgx h GLN 572 N -1.00 0.43 -0.07 1.13 -0.00 -0.93 0.47 115.11 115.14 2dgx h GLN 572 Ca -0.06 -0.03 -0.14 0.00 -0.00 0.00 0.00 58.65 58.42 2dgx h GLN 572 Cb 0.59 -0.10 0.01 0.00 -0.00 0.00 0.00 27.48 27.98 2dgx h GLN 572 CO -0.04 0.28 -0.50 -0.56 -0.00 0.00 0.00 178.83 178.01 2dgx h GLN 573 N 0.44 0.46 0.72 0.06 3.07 -1.66 -2.73 115.11 115.46 2dgx h GLN 573 Ca 0.43 -0.40 -0.04 0.00 0.09 0.00 0.00 58.65 58.73 2dgx h GLN 573 Cb 0.99 0.09 0.01 0.00 0.08 0.00 0.00 27.48 28.65 2dgx h GLN 573 CO -0.16 1.05 -0.34 -0.07 0.09 0.00 0.00 178.83 179.39 2dgx h LEU 574 N 0.01 -0.81 -0.46 0.06 3.38 -1.05 -2.02 115.31 114.41 2dgx h LEU 574 Ca -0.04 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.03 2dgx h LEU 574 Cb 1.17 0.21 -0.09 0.00 0.09 0.00 0.00 40.66 42.04 2dgx h LEU 574 CO 0.10 -0.54 -0.11 -0.07 0.09 0.00 0.00 178.44 177.92 2dgx h LEU 575 N -1.04 -0.42 -1.07 1.67 3.38 -1.09 0.26 115.31 117.00 2dgx h LEU 575 Ca -0.10 0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.14 2dgx h LEU 575 Cb 0.76 0.28 -0.08 0.00 0.09 0.00 0.00 40.66 41.70 2dgx h LEU 575 CO 0.16 -0.15 0.62 -0.61 0.09 0.00 0.00 178.44 178.55 2dgx h GLN 576 N 0.01 0.88 -0.25 1.13 4.15 -1.42 -0.29 115.11 119.31 2dgx h GLN 576 Ca 0.22 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.57 2dgx h GLN 576 Cb 0.34 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 2dgx h GLN 576 CO -0.47 0.58 0.08 0.93 -1.93 0.00 0.00 178.83 178.02 2dgx h GLU 577 N 0.90 0.39 0.83 1.69 5.08 -0.21 -0.76 114.58 122.50 2dgx h GLU 577 Ca 0.50 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.73 2dgx h GLU 577 Cb 0.59 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.79 2dgx h GLU 577 CO -0.26 0.45 -0.40 0.00 -1.00 0.00 0.00 179.01 177.80 2dgx h ALA 578 N 0.92 -1.17 -0.33 3.43 0.00 -0.37 -2.48 119.26 119.25 2dgx h ALA 578 Ca 0.08 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 54.84 2dgx h ALA 578 Cb 0.22 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2dgx h ALA 578 CO -0.00 -1.09 0.34 0.74 0.00 0.00 0.00 179.25 179.23 2dgx h PHE 579 N -1.23 0.00 -0.06 0.00 0.04 -1.15 0.20 116.94 114.75 2dgx h PHE 579 Ca -0.11 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.53 2dgx h PHE 579 Cb 0.85 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.99 2dgx h PHE 579 CO 0.01 0.00 -0.55 0.00 -0.60 0.00 0.00 178.31 177.17 2dgx h ALA 580 N 1.62 0.96 0.00 2.45 0.00 -0.83 -2.43 119.26 121.04 2dgx h ALA 580 Ca 0.16 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 2dgx h ALA 580 Cb 0.84 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2dgx h ALA 580 CO -0.00 0.69 -0.02 0.00 0.00 0.00 0.00 179.25 179.92 2dgx h ARG 581 N 0.13 0.00 0.00 0.00 3.08 -0.15 -3.28 114.38 114.16 2dgx h ARG 581 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2dgx h ARG 581 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.07 2dgx h ARG 581 CO 0.08 0.02 -0.35 0.72 -1.07 0.00 0.00 179.97 179.38 2dgx n HIS 582 N -3.18 0.45 0.00 3.04 8.25 -1.06 -5.08 115.22 117.64 2dgx n HIS 582 Ca -0.01 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 2dgx n HIS 582 Cb 0.21 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 30.81 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 1.64 3.32 2.90 -1.41 0.00 -0.94 -5.04 105.19 105.65 2dgx n GLY 583 Ca -0.05 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 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 3.58 1.43 0.08 1.61 2.47 -1.26 -4.60 119.74 123.04 2dgx s LYS 584 Ca 0.00 -0.86 -0.31 0.00 -1.56 0.00 0.00 55.97 53.24 2dgx s LYS 584 Cb 0.00 -2.47 -0.09 0.00 -1.46 0.00 0.00 37.83 33.81 2dgx s LYS 584 CO 0.00 -0.60 1.68 0.08 0.16 0.00 0.00 175.35 176.67 2dgx s VAL 585 N 1.49 2.96 -0.18 4.02 1.01 -1.26 -1.09 120.40 127.35 2dgx s VAL 585 Ca -0.05 0.42 -0.22 0.00 0.00 0.00 0.00 61.98 62.13 2dgx s VAL 585 Cb -0.18 -3.27 -0.22 0.00 0.00 0.00 0.00 36.38 32.71 2dgx s VAL 585 CO -0.07 -0.00 0.38 0.50 0.00 0.00 0.00 175.10 175.91 2dgx h LYS 586 N 8.38 0.04 -2.94 2.72 3.64 -0.51 -3.44 116.57 124.45 2dgx h LYS 586 Ca -0.43 -0.06 0.07 0.00 -1.27 0.00 0.00 60.65 58.96 2dgx h LYS 586 Cb 1.20 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.00 2dgx h LYS 586 CO 0.93 1.03 0.26 -1.12 -2.27 0.00 0.00 179.45 178.28 2dgx s SER 587 N -6.75 -0.22 -0.07 4.20 0.01 -0.56 -4.95 113.70 105.36 2dgx s SER 587 Ca -0.26 -0.65 -0.03 0.00 1.31 0.00 0.00 55.95 56.33 2dgx s SER 587 Cb 0.04 0.72 0.04 0.00 0.21 0.00 0.00 66.02 67.03 2dgx s SER 587 CO 0.64 -1.35 0.12 -0.69 0.41 0.00 0.00 173.24 172.37 2dgx s VAL 588 N -3.69 -0.19 0.08 3.43 1.01 -1.26 -0.24 120.40 119.53 2dgx s VAL 588 Ca 0.12 0.36 0.08 0.00 0.00 0.00 0.00 61.98 62.53 2dgx s VAL 588 Cb -0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 2dgx s VAL 588 CO 0.07 0.14 -0.19 -1.61 0.00 0.00 0.00 175.10 173.51 2dgx s GLU 589 N 2.24 1.92 0.00 2.72 0.41 -0.78 -5.01 118.70 120.20 2dgx s GLU 589 Ca 0.04 -1.08 0.08 0.00 -0.41 0.00 0.00 54.97 53.60 2dgx s GLU 589 Cb -0.12 -2.14 -0.02 0.00 -1.78 0.00 0.00 34.13 30.06 2dgx s GLU 589 CO -0.05 0.51 -0.26 -0.51 -0.49 0.00 0.00 175.26 174.47 2dgx s LEU 590 N -1.75 2.09 0.60 1.80 1.43 -1.26 -1.65 118.68 119.95 2dgx s LEU 590 Ca 0.16 -0.51 -0.17 0.00 -1.03 0.00 0.00 54.13 52.59 2dgx s LEU 590 Cb -0.10 -1.30 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 2dgx s LEU 590 CO 0.07 0.29 1.10 -0.44 0.23 0.00 0.00 176.35 177.60 2dgx s SER 591 N -0.83 5.49 0.23 2.29 0.01 0.66 -4.93 113.70 116.62 2dgx s SER 591 Ca 0.10 2.00 0.22 0.00 1.31 0.00 0.00 55.95 59.59 2dgx s SER 591 Cb -0.10 -2.56 0.94 0.00 0.21 0.00 0.00 66.02 64.52 2dgx s SER 591 CO 0.00 -1.37 1.68 -0.81 0.41 0.00 0.00 173.24 173.15 2dgx n PRO 592 N -1.95 0.17 -2.04 12.44 -0.04 -1.26 -4.79 135.00 137.53 2dgx n PRO 592 Ca 0.10 0.41 -0.38 0.00 -0.04 0.00 0.00 63.50 63.59 2dgx n PRO 592 Cb 0.52 -1.83 0.01 0.00 -0.04 0.00 0.00 33.50 32.15 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 -3.29 2.68 -0.21 0.54 3.76 -1.26 -4.96 115.29 112.56 2dgx s HIS 593 Ca 0.04 1.43 0.13 0.00 -0.15 0.00 0.00 55.06 56.52 2dgx s HIS 593 Cb 0.09 -3.62 0.44 0.00 1.11 0.00 0.00 32.58 30.60 2dgx s HIS 593 CO 0.37 -2.15 1.19 -2.37 -0.85 0.00 0.00 174.74 170.93 2dgx n THR 594 N -0.37 1.89 -4.08 1.30 5.66 -1.26 -4.75 114.28 112.67 2dgx n THR 594 Ca 0.07 -3.20 -0.14 0.00 -3.05 0.00 0.00 64.05 57.72 2dgx n THR 594 Cb 0.45 -0.18 -0.04 0.00 -1.55 0.00 0.00 70.33 69.01 2dgx n THR 594 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2dgx n ASP 595 N -0.70 -1.04 -0.63 1.09 8.00 -1.26 -5.00 116.55 117.01 2dgx n ASP 595 Ca 0.24 -2.77 0.50 0.00 0.71 0.00 0.00 54.79 53.47 2dgx n ASP 595 Cb 0.86 2.04 0.76 0.00 -0.02 0.00 0.00 41.12 44.76 2dgx n ASP 595 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dgx n TYR 596 N -0.53 0.00 -0.33 1.24 4.11 -1.26 0.77 117.16 121.16 2dgx n TYR 596 Ca 0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 57.90 57.86 2dgx n TYR 596 Cb 0.53 -0.46 0.02 0.00 -0.00 0.00 0.00 39.34 39.43 2dgx n TYR 596 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 2dgx n GLN 597 N -3.81 1.30 -3.19 -3.48 1.13 -1.26 -4.69 117.38 103.37 2dgx n GLN 597 Ca 0.41 -0.60 -0.39 0.00 -1.94 0.00 0.00 57.00 54.48 2dgx n GLN 597 Cb 1.95 -1.24 -0.06 0.00 0.11 0.00 0.00 30.24 31.01 2dgx n GLN 597 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2dgx s LEU 598 N -0.69 4.22 0.43 1.08 2.96 0.23 -4.74 118.68 122.17 2dgx s LEU 598 Ca 0.12 0.87 0.04 0.00 -0.22 0.00 0.00 54.13 54.93 2dgx s LEU 598 Cb 0.09 -2.83 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 2dgx s LEU 598 CO 0.00 -0.13 0.05 -0.54 -1.32 0.00 0.00 176.35 174.41 2dgx s LYS 599 N 1.22 1.97 0.17 1.98 1.02 -1.26 -3.46 119.74 121.37 2dgx s LYS 599 Ca 0.29 -2.18 -0.24 0.00 0.02 0.00 0.00 55.97 53.86 2dgx s LYS 599 Cb -0.16 -1.20 0.06 0.00 -0.52 0.00 0.00 37.83 36.01 2dgx s LYS 599 CO 0.12 -0.28 0.76 0.00 -0.92 0.00 0.00 175.35 175.02 2dgx s ALA 600 N -3.01 -1.53 -0.23 5.17 0.00 0.47 -0.25 121.76 122.38 2dgx s ALA 600 Ca 0.23 0.27 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 2dgx s ALA 600 Cb 0.05 0.74 0.07 0.00 0.00 0.00 0.00 23.12 23.99 2dgx s ALA 600 CO 0.12 -0.89 0.05 0.08 0.00 0.00 0.00 175.76 175.12 2dgx s VAL 601 N -3.60 0.61 -0.43 0.00 1.01 -0.66 -0.17 120.40 117.16 2dgx s VAL 601 Ca 0.07 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 61.02 2dgx s VAL 601 Cb -0.03 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.16 2dgx s VAL 601 CO -0.03 -0.35 0.75 -0.69 0.00 0.00 0.00 175.10 174.77 2dgx s VAL 602 N 1.80 4.70 0.20 2.92 1.01 0.71 -1.87 120.40 129.87 2dgx s VAL 602 Ca 0.02 0.42 -0.29 0.00 0.00 0.00 0.00 61.98 62.13 2dgx s VAL 602 Cb -0.17 -4.28 -0.08 0.00 0.00 0.00 0.00 36.38 31.85 2dgx s VAL 602 CO -0.14 -0.65 0.90 -1.58 0.00 0.00 0.00 175.10 173.64 2dgx s GLN 603 N 3.15 4.77 0.21 2.72 0.74 0.66 -0.84 119.66 131.08 2dgx s GLN 603 Ca 0.28 1.40 0.11 0.00 0.05 0.00 0.00 55.36 57.21 2dgx s GLN 603 Cb -0.13 -3.29 -0.04 0.00 1.10 0.00 0.00 33.01 30.65 2dgx s GLN 603 CO 0.21 0.49 -0.22 -1.64 -0.55 0.00 0.00 175.29 173.58 2dgx s MET 604 N -1.01 1.61 -0.04 1.67 -1.94 0.78 0.17 119.30 120.55 2dgx s MET 604 Ca 0.40 -1.54 -0.23 0.00 -1.71 0.00 0.00 55.69 52.61 2dgx s MET 604 Cb -0.25 -1.87 -0.17 0.00 2.01 0.00 0.00 34.83 34.55 2dgx s MET 604 CO 0.30 0.39 1.01 0.93 -0.01 0.00 0.00 175.02 177.65 2dgx h GLU 605 N 3.00 -0.17 -5.85 2.03 5.08 -1.40 -2.82 114.58 114.46 2dgx h GLU 605 Ca -0.45 0.01 -0.64 0.00 -1.00 0.00 0.00 59.36 57.28 2dgx h GLU 605 Cb 1.22 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 2dgx h GLU 605 CO 0.51 0.29 -0.50 1.21 -1.00 0.00 0.00 179.01 179.52 2dgx s ASN 606 N -5.52 6.32 0.02 1.42 2.47 -1.26 -4.59 114.94 113.80 2dgx s ASN 606 Ca -0.14 0.31 -0.26 0.00 0.42 0.00 0.00 52.86 53.19 2dgx s ASN 606 Cb 0.01 -1.97 -0.16 0.00 -1.45 0.00 0.00 41.25 37.68 2dgx s ASN 606 CO 0.55 0.24 1.28 0.25 -3.72 0.00 0.00 177.10 175.70 2dgx h LEU 607 N 3.65 -0.48 -0.60 3.21 7.12 -1.87 -3.17 115.31 123.17 2dgx h LEU 607 Ca -0.48 -0.10 0.10 0.00 0.13 0.00 0.00 57.88 57.53 2dgx h LEU 607 Cb 1.18 0.12 -0.08 0.00 -0.53 0.00 0.00 40.66 41.36 2dgx h LEU 607 CO 0.70 -0.15 0.19 1.56 -0.13 0.00 0.00 178.44 180.61 2dgx h GLN 608 N -0.84 0.34 -1.08 1.25 4.20 -1.97 -0.52 115.11 116.49 2dgx h GLN 608 Ca -0.06 -0.02 0.32 0.00 0.06 0.00 0.00 58.65 58.95 2dgx h GLN 608 Cb 0.55 -0.08 -0.13 0.00 0.30 0.00 0.00 27.48 28.13 2dgx h GLN 608 CO 0.10 0.22 0.66 -0.44 -0.67 0.00 0.00 178.83 178.69 2dgx h ASP 609 N 0.35 0.47 -0.02 1.46 3.32 -1.96 0.48 116.42 120.52 2dgx h ASP 609 Ca 0.31 0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.48 2dgx h ASP 609 Cb 0.41 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2dgx h ASP 609 CO -0.34 -0.06 -0.06 0.00 -1.72 0.00 0.00 179.24 177.07 2dgx h ALA 610 N 1.72 0.03 -0.86 3.45 0.00 -1.08 -2.46 119.26 120.06 2dgx h ALA 610 Ca 0.70 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 55.35 2dgx h ALA 610 Cb 1.75 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 19.44 2dgx h ALA 610 CO -0.47 -0.11 -0.51 -0.89 0.00 0.00 0.00 179.25 177.28 2dgx n ILE 611 N -4.71 -0.59 -0.20 0.00 5.41 0.14 -0.34 119.36 119.07 2dgx n ILE 611 Ca -0.09 2.25 -0.10 0.00 1.00 0.00 0.00 62.75 65.82 2dgx n ILE 611 Cb 0.35 -2.79 0.02 0.00 -0.71 0.00 0.00 39.64 36.50 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 1.10 0.95 7.39 0.00 -1.61 -2.70 103.07 108.19 2dgx h GLY 612 Ca 0.14 -0.82 0.15 0.00 0.00 0.00 0.00 47.33 46.79 2dgx h GLY 612 CO -0.81 0.76 0.38 0.00 0.00 0.00 0.00 176.54 176.87 2dgx h ALA 613 N 0.96 2.45 0.07 3.60 0.00 -0.39 0.32 119.26 126.26 2dgx h ALA 613 Ca 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2dgx h ALA 613 Cb 0.58 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2dgx h ALA 613 CO 0.03 -0.64 -0.03 0.28 0.00 0.00 0.00 179.25 178.89 2dgx h VAL 614 N 0.00 0.00 0.00 0.00 2.07 -0.37 -0.45 116.25 117.50 2dgx h VAL 614 Ca 0.24 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2dgx h VAL 614 Cb 1.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2dgx h VAL 614 CO -0.00 0.00 0.13 0.78 0.02 0.00 0.00 177.57 178.50 2dgx h ASN 615 N -0.49 0.00 0.00 0.57 2.35 -1.35 0.72 115.58 117.38 2dgx h ASN 615 Ca -0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 2dgx h ASN 615 Cb 0.07 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 2dgx h ASN 615 CO 0.01 0.00 -0.40 0.28 -1.65 0.00 0.00 177.43 175.67 2dgx h SER 616 N 0.00 0.00 0.71 5.81 0.02 -0.46 -3.36 113.55 116.27 2dgx h SER 616 Ca 0.00 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2dgx h SER 616 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2dgx h SER 616 CO 0.00 0.75 0.00 -0.07 -1.14 0.00 0.00 176.83 176.37 2dgx h LEU 617 N -1.00 0.00 -8.30 5.07 3.38 -0.78 -3.46 115.31 110.23 2dgx h LEU 617 Ca -0.03 0.00 -0.79 0.00 0.09 0.00 0.00 57.88 57.15 2dgx h LEU 617 Cb 0.44 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.21 2dgx h LEU 617 CO -0.02 0.00 0.52 1.57 0.09 0.00 0.00 178.44 180.60 2dgx n HIS 618 N -2.38 1.42 -2.84 1.13 -0.00 0.25 0.15 115.22 112.95 2dgx n HIS 618 Ca 0.02 1.04 -0.18 0.00 0.46 0.00 0.00 57.72 59.06 2dgx n HIS 618 Cb 0.22 -2.03 0.03 0.00 -0.12 0.00 0.00 29.99 28.09 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 3.23 -3.84 -1.90 1.57 5.12 0.15 -4.91 116.66 116.08 2dgx n ARG 619 Ca 0.27 0.74 -0.43 0.00 -1.93 0.00 0.00 57.85 56.49 2dgx n ARG 619 Cb -0.03 -5.22 -0.03 0.00 -1.16 0.00 0.00 32.46 26.03 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 -3.04 1.70 -0.75 -1.55 5.04 0.40 -4.58 117.35 114.57 2dgx s TYR 620 Ca 0.23 0.35 -0.24 0.00 -2.44 0.00 0.00 57.07 54.97 2dgx s TYR 620 Cb -0.10 -4.03 -0.16 0.00 0.35 0.00 0.00 41.96 38.02 2dgx s TYR 620 CO 0.29 -3.73 2.41 1.17 -1.34 0.00 0.00 175.55 174.34 2dgx n LYS 621 N 7.95 0.56 -4.38 4.97 3.00 -1.26 -2.93 118.16 126.07 2dgx n LYS 621 Ca 0.22 -0.36 -0.26 0.00 -0.00 0.00 0.00 58.31 57.91 2dgx n LYS 621 Cb 0.44 -2.96 -0.10 0.00 0.00 0.00 0.00 35.03 32.41 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 11.13 2.77 0.00 3.15 1.01 -1.20 -5.01 121.20 133.05 2dgx s ILE 622 Ca 1.06 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 59.70 2dgx s ILE 622 Cb -0.38 -2.40 0.00 0.00 0.01 0.00 0.00 42.46 39.69 2dgx s ILE 622 CO 0.26 -0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.59 2dgx n GLY 623 N -0.18 1.57 0.00 6.18 0.00 -1.26 -1.03 105.19 110.47 2dgx n GLY 623 Ca -0.09 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 2.55 1.68 -3.81 1.61 7.64 -1.26 -5.02 113.62 117.00 2dgx n SER 624 Ca 0.00 -1.68 -0.12 0.00 1.01 0.00 0.00 58.87 58.08 2dgx n SER 624 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 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 -0.68 0.47 0.36 1.43 -2.85 -0.19 -5.05 119.74 113.23 2dgx s LYS 625 Ca 0.00 -0.10 -0.26 0.00 -1.00 0.00 0.00 55.97 54.61 2dgx s LYS 625 Cb 0.00 0.20 -0.09 0.00 -2.06 0.00 0.00 37.83 35.88 2dgx s LYS 625 CO 0.00 -0.11 1.06 0.15 0.10 0.00 0.00 175.35 176.56 2dgx s LYS 626 N -0.87 4.31 -0.11 1.78 1.02 -1.26 -3.25 119.74 121.37 2dgx s LYS 626 Ca -0.10 1.60 -0.08 0.00 0.02 0.00 0.00 55.97 57.42 2dgx s LYS 626 Cb -0.05 -2.75 -0.04 0.00 -0.52 0.00 0.00 37.83 34.47 2dgx s LYS 626 CO 0.02 -0.03 0.17 0.96 -0.92 0.00 0.00 175.35 175.56 2dgx s ILE 627 N -1.50 5.44 -0.45 2.17 -4.36 -1.15 -4.65 121.20 116.71 2dgx s ILE 627 Ca 0.53 0.29 -0.13 0.00 -0.26 0.00 0.00 60.65 61.08 2dgx s ILE 627 Cb -0.25 -3.44 0.07 0.00 1.25 0.00 0.00 42.46 40.08 2dgx s ILE 627 CO 0.32 0.60 0.34 -0.76 0.24 0.00 0.00 174.94 175.68 2dgx s LEU 628 N -0.96 5.39 0.29 0.37 1.43 0.63 0.30 118.68 126.14 2dgx s LEU 628 Ca 0.16 -1.31 -0.15 0.00 -1.03 0.00 0.00 54.13 51.79 2dgx s LEU 628 Cb -0.13 -2.12 -0.09 0.00 0.03 0.00 0.00 46.19 43.89 2dgx s LEU 628 CO 0.05 -0.58 0.71 -0.69 0.23 0.00 0.00 176.35 176.07 2dgx s VAL 629 N 1.58 4.69 -0.27 -1.59 1.01 -1.26 -1.71 120.40 122.86 2dgx s VAL 629 Ca 0.04 0.95 -0.25 0.00 0.00 0.00 0.00 61.98 62.71 2dgx s VAL 629 Cb -0.23 -3.65 0.10 0.00 0.00 0.00 0.00 36.38 32.60 2dgx s VAL 629 CO 0.06 -0.10 0.91 -0.44 0.00 0.00 0.00 175.10 175.53 2dgx s SER 630 N -2.17 -0.56 0.79 3.32 0.01 0.09 -4.88 113.70 110.30 2dgx s SER 630 Ca 0.51 1.05 -0.11 0.00 1.31 0.00 0.00 55.95 58.71 2dgx s SER 630 Cb -0.11 1.06 0.07 0.00 0.21 0.00 0.00 66.02 67.24 2dgx s SER 630 CO 0.18 -0.20 1.10 -0.76 0.41 0.00 0.00 173.24 173.97 2dgx s LEU 631 N 0.20 2.62 -0.11 2.44 1.43 -1.26 0.63 118.68 124.63 2dgx s LEU 631 Ca 0.02 1.30 -0.01 0.00 -1.03 0.00 0.00 54.13 54.40 2dgx s LEU 631 Cb -0.05 -3.93 0.03 0.00 0.03 0.00 0.00 46.19 42.28 2dgx s LEU 631 CO -0.03 -1.93 -0.03 0.00 0.23 0.00 0.00 176.35 174.59 2dgx s ALA 632 N -3.17 1.06 0.16 4.21 0.00 -0.99 -4.69 121.76 118.34 2dgx s ALA 632 Ca 0.61 -0.42 -0.22 0.00 0.00 0.00 0.00 51.96 51.93 2dgx s ALA 632 Cb -0.14 -0.89 0.05 0.00 0.00 0.00 0.00 23.12 22.13 2dgx s ALA 632 CO 0.54 -0.54 1.62 1.15 0.00 0.00 0.00 175.76 178.53 2dgx h THR 633 N 6.29 0.36 0.00 0.00 2.02 -1.98 -3.43 112.91 116.18 2dgx h THR 633 Ca -0.24 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2dgx h THR 633 Cb 1.12 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 2dgx h THR 633 CO 0.34 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.84 2dgx n GLY 634 N -1.39 2.61 3.72 2.16 0.00 -1.26 -5.01 105.19 106.01 2dgx n GLY 634 Ca -0.00 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.54 3.82 0.16 4.61 0.00 -1.26 -5.00 121.76 123.55 2dgx s ALA 635 Ca 0.00 1.42 -0.04 0.00 0.00 0.00 0.00 51.96 53.34 2dgx s ALA 635 Cb 0.00 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 2dgx s ALA 635 CO 0.00 -0.82 0.16 -1.54 0.00 0.00 0.00 175.76 173.56 2dgx s SER 636 N 1.19 0.18 -0.47 0.00 1.04 -1.26 -5.13 113.70 109.24 2dgx s SER 636 Ca 0.71 -1.14 0.04 0.00 0.48 0.00 0.00 55.95 56.04 2dgx s SER 636 Cb -0.45 0.37 0.19 0.00 0.10 0.00 0.00 66.02 66.23 2dgx s SER 636 CO 0.31 -0.82 0.80 -0.83 0.98 0.00 0.00 173.24 173.68 2dgx s GLY 637 N -3.05 -1.40 0.26 7.32 0.00 -1.26 -5.01 107.32 104.18 2dgx s GLY 637 Ca 0.25 -0.11 0.04 0.00 0.00 0.00 0.00 44.72 44.90 2dgx s GLY 637 CO 0.04 3.80 1.63 -0.56 0.00 0.00 0.00 173.10 178.02 2dgx h PRO 638 N 5.08 0.34 -6.17 2.90 0.13 -2.04 -3.43 132.00 128.81 2dgx h PRO 638 Ca 0.04 -0.18 -0.56 0.00 -0.87 0.00 0.00 66.00 64.44 2dgx h PRO 638 Cb 1.13 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 2dgx h PRO 638 CO -0.01 0.73 0.25 0.45 -0.23 0.00 0.00 178.00 179.20 2dgx s SER 639 N -6.88 7.13 0.05 1.44 0.15 -1.26 -5.02 113.70 109.32 2dgx s SER 639 Ca -0.05 1.37 -0.28 0.00 0.70 0.00 0.00 55.95 57.69 2dgx s SER 639 Cb 0.13 -2.48 0.09 0.00 -1.71 0.00 0.00 66.02 62.05 2dgx s SER 639 CO 0.79 -0.22 1.09 -0.94 1.20 0.00 0.00 173.24 175.16 2dgx s SER 640 N 0.94 -0.15 0.00 5.45 1.04 -1.26 -5.24 113.70 114.47 2dgx s SER 640 Ca 0.43 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.63 2dgx s SER 640 Cb -0.19 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.27 2dgx s SER 640 CO 0.21 -0.61 0.02 0.61 0.98 0.00 0.00 173.24 174.46