#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 7.44 -0.29 1.61 1.04 -1.26 -5.03 113.70 117.21 2dgx s SER 547 Ca 0.00 2.12 -0.17 0.00 0.48 0.00 0.00 55.95 58.38 2dgx s SER 547 Cb 0.00 -2.62 0.17 0.00 0.10 0.00 0.00 66.02 63.67 2dgx s SER 547 CO 0.00 -0.01 1.10 -0.55 0.98 0.00 0.00 173.24 174.76 2dgx s SER 548 N -1.00 -0.33 0.69 7.02 0.15 -1.26 -5.16 113.70 113.82 2dgx s SER 548 Ca 0.43 0.53 -0.17 0.00 0.70 0.00 0.00 55.95 57.44 2dgx s SER 548 Cb -0.29 1.09 -0.00 0.00 -1.71 0.00 0.00 66.02 65.10 2dgx s SER 548 CO 0.37 -0.08 1.04 0.61 1.20 0.00 0.00 173.24 176.37 2dgx n GLY 549 N 3.35 -0.21 3.66 9.45 0.00 -1.26 -4.87 105.19 115.31 2dgx n GLY 549 Ca -0.18 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 2dgx n GLY 549 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dgx s SER 550 N -1.53 6.58 0.09 1.61 0.01 -1.26 -4.97 113.70 114.22 2dgx s SER 550 Ca 0.76 2.27 -0.10 0.00 1.31 0.00 0.00 55.95 60.18 2dgx s SER 550 Cb -0.36 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.34 2dgx s SER 550 CO 0.47 -0.99 0.23 -0.55 0.41 0.00 0.00 173.24 172.81 2dgx s SER 551 N 3.71 0.04 -0.16 2.44 0.15 -1.26 -5.16 113.70 113.46 2dgx s SER 551 Ca 0.77 -0.55 -0.05 0.00 0.70 0.00 0.00 55.95 56.81 2dgx s SER 551 Cb -0.34 0.36 0.08 0.00 -1.71 0.00 0.00 66.02 64.40 2dgx s SER 551 CO 0.32 -0.73 0.32 -0.83 1.20 0.00 0.00 173.24 173.52 2dgx s GLY 552 N -2.76 -0.22 -0.14 9.45 0.00 -1.26 -5.03 107.32 107.36 2dgx s GLY 552 Ca 0.03 1.10 -0.07 0.00 0.00 0.00 0.00 44.72 45.78 2dgx s GLY 552 CO -0.10 2.18 -0.19 0.70 0.00 0.00 0.00 173.10 175.69 2dgx n ASN 553 N 5.36 1.04 0.00 1.64 4.13 -1.26 -5.15 115.26 121.02 2dgx n ASN 553 Ca -0.07 0.18 0.00 0.00 1.68 0.00 0.00 54.58 56.37 2dgx n ASN 553 Cb 0.50 -0.43 0.00 0.00 -1.54 0.00 0.00 39.78 38.31 2dgx n ASN 553 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dgx n GLY 554 N 2.11 -1.26 3.19 7.41 0.00 -1.26 -5.11 105.19 110.27 2dgx n GLY 554 Ca -0.28 -1.35 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.16 2.56 -0.37 4.61 0.00 -1.15 -4.91 121.76 121.34 2dgx s ALA 555 Ca 0.00 -1.28 -0.10 0.00 0.00 0.00 0.00 51.96 50.58 2dgx s ALA 555 Cb 0.00 -1.46 0.04 0.00 0.00 0.00 0.00 23.12 21.71 2dgx s ALA 555 CO 0.00 -0.51 0.19 -0.51 0.00 0.00 0.00 175.76 174.93 2dgx s ASP 556 N 1.34 5.61 -0.43 0.00 1.01 -1.26 -0.26 116.67 122.68 2dgx s ASP 556 Ca 0.04 -1.13 -0.16 0.00 0.71 0.00 0.00 52.55 52.00 2dgx s ASP 556 Cb -0.14 -1.98 0.03 0.00 1.01 0.00 0.00 42.92 41.84 2dgx s ASP 556 CO -0.08 -0.40 0.40 -0.69 0.21 0.00 0.00 175.17 174.60 2dgx s VAL 557 N 1.49 5.15 -0.15 -1.27 1.01 -0.32 -2.48 120.40 123.83 2dgx s VAL 557 Ca 0.01 -0.57 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 2dgx s VAL 557 Cb -0.20 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 2dgx s VAL 557 CO 0.05 -0.43 1.17 -1.10 0.00 0.00 0.00 175.10 174.79 2dgx s GLN 558 N 1.94 4.28 -0.20 2.72 -0.21 0.26 0.10 119.66 128.55 2dgx s GLN 558 Ca 0.09 1.56 -0.03 0.00 0.02 0.00 0.00 55.36 57.00 2dgx s GLN 558 Cb -0.19 -3.67 -0.00 0.00 1.00 0.00 0.00 33.01 30.15 2dgx s GLN 558 CO 0.11 -0.59 -0.08 0.08 -2.12 0.00 0.00 175.29 172.69 2dgx s VAL 559 N 2.99 3.11 0.34 1.09 1.01 0.49 -0.88 120.40 128.55 2dgx s VAL 559 Ca 0.52 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.96 2dgx s VAL 559 Cb -0.20 -2.39 -0.07 0.00 0.00 0.00 0.00 36.38 33.72 2dgx s VAL 559 CO 0.14 0.46 0.01 -0.44 0.00 0.00 0.00 175.10 175.27 2dgx s SER 560 N 1.29 2.94 -0.77 3.32 0.01 -0.60 -0.47 113.70 119.41 2dgx s SER 560 Ca 0.03 -1.32 -0.05 0.00 1.31 0.00 0.00 55.95 55.93 2dgx s SER 560 Cb -0.14 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 65.89 2dgx s SER 560 CO -0.04 -0.47 0.67 -3.20 0.41 0.00 0.00 173.24 170.61 2dgx n ASN 561 N -0.74 -4.31 -4.69 2.44 5.15 -1.26 -0.33 115.26 111.53 2dgx n ASN 561 Ca -0.04 -0.31 -0.40 0.00 -0.60 0.00 0.00 54.58 53.22 2dgx n ASN 561 Cb 0.66 -3.10 -0.05 0.00 -0.53 0.00 0.00 39.78 36.75 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 4.99 -0.75 -1.44 1.01 -1.14 -3.91 121.20 116.78 2dgx s ILE 562 Ca 0.31 1.44 -0.26 0.00 0.00 0.00 0.00 60.65 62.14 2dgx s ILE 562 Cb -0.14 -4.05 -0.10 0.00 0.01 0.00 0.00 42.46 38.19 2dgx s ILE 562 CO 0.42 0.14 2.28 1.51 0.00 0.00 0.00 174.94 179.29 2dgx s ASP 563 N 1.01 4.33 0.32 3.58 1.47 -1.26 -4.58 116.67 121.53 2dgx s ASP 563 Ca 0.36 0.11 0.09 0.00 1.18 0.00 0.00 52.55 54.28 2dgx s ASP 563 Cb -0.17 -2.54 0.87 0.00 -0.34 0.00 0.00 42.92 40.74 2dgx s ASP 563 CO 0.14 -3.38 1.73 0.10 0.68 0.00 0.00 175.17 174.45 2dgx h TYR 564 N 13.81 1.01 -0.75 2.11 -0.00 -1.91 -1.05 116.97 130.19 2dgx h TYR 564 Ca -0.04 0.04 0.26 0.00 -0.00 0.00 0.00 58.73 58.98 2dgx h TYR 564 Cb 1.06 -0.29 -0.14 0.00 -0.00 0.00 0.00 36.73 37.37 2dgx h TYR 564 CO 1.13 0.07 0.21 0.54 -0.00 0.00 0.00 178.16 180.11 2dgx n ARG 565 N -4.88 -0.05 -2.27 0.10 1.74 -1.26 -4.30 116.66 105.74 2dgx n ARG 565 Ca 0.27 1.08 -0.36 0.00 -0.77 0.00 0.00 57.85 58.06 2dgx n ARG 565 Cb 0.73 -1.82 -0.01 0.00 -1.02 0.00 0.00 32.46 30.35 2dgx n ARG 565 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2dgx s LEU 566 N -9.73 3.94 0.31 0.55 1.43 -0.40 -4.98 118.68 109.80 2dgx s LEU 566 Ca -0.08 2.26 -0.29 0.00 -1.03 0.00 0.00 54.13 54.99 2dgx s LEU 566 Cb 0.24 -4.34 -0.10 0.00 0.03 0.00 0.00 46.19 42.02 2dgx s LEU 566 CO 0.58 -0.99 1.21 -0.94 0.23 0.00 0.00 176.35 176.45 2dgx s SER 567 N -1.49 6.99 0.18 2.29 1.04 -1.26 -4.81 113.70 116.64 2dgx s SER 567 Ca 0.66 2.50 -0.23 0.00 0.48 0.00 0.00 55.95 59.36 2dgx s SER 567 Cb -0.27 -2.64 0.08 0.00 0.10 0.00 0.00 66.02 63.29 2dgx s SER 567 CO 0.32 -0.36 1.57 0.03 0.98 0.00 0.00 173.24 175.78 2dgx h ARG 568 N 3.56 -0.18 -0.76 4.02 3.08 -1.94 0.78 114.38 122.94 2dgx h ARG 568 Ca -0.48 0.01 0.21 0.00 0.07 0.00 0.00 59.98 59.79 2dgx h ARG 568 Cb 1.22 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.28 2dgx h ARG 568 CO 0.66 -0.12 0.54 -0.22 -1.07 0.00 0.00 179.97 179.75 2dgx h LYS 569 N -0.19 0.06 0.00 0.04 3.64 -1.98 0.65 116.57 118.79 2dgx h LYS 569 Ca 0.21 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2dgx h LYS 569 Cb 0.56 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2dgx h LYS 569 CO -0.70 0.04 -0.47 1.49 -2.27 0.00 0.00 179.45 177.54 2dgx h GLU 570 N 0.06 0.00 0.01 1.90 4.81 0.02 -3.11 114.58 118.27 2dgx h GLU 570 Ca 0.36 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.44 2dgx h GLU 570 Cb 1.36 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.72 2dgx h GLU 570 CO -0.03 0.00 -0.85 -0.07 -0.73 0.00 0.00 179.01 177.34 2dgx h LEU 571 N 0.00 0.04 -1.26 1.64 3.38 0.35 -2.70 115.31 116.76 2dgx h LEU 571 Ca 0.00 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.26 2dgx h LEU 571 Cb 0.96 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2dgx h LEU 571 CO 0.00 1.34 0.00 0.06 0.09 0.00 0.00 178.44 179.93 2dgx h GLN 572 N -0.93 0.00 0.03 1.13 3.07 -0.77 -1.92 115.11 115.73 2dgx h GLN 572 Ca -0.23 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.24 2dgx h GLN 572 Cb 1.25 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.78 2dgx h GLN 572 CO -0.11 0.00 -1.49 0.00 0.09 0.00 0.00 178.83 177.32 2dgx n GLN 573 N -2.53 0.62 -0.08 0.06 10.64 -1.18 -3.54 117.38 121.37 2dgx n GLN 573 Ca 0.01 0.49 -0.10 0.00 -1.83 0.00 0.00 57.00 55.57 2dgx n GLN 573 Cb 0.20 -1.73 -0.03 0.00 -0.86 0.00 0.00 30.24 27.82 2dgx n GLN 573 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 2dgx h LEU 574 N -0.71 0.33 -0.20 2.61 3.38 -1.35 -2.41 115.31 116.96 2dgx h LEU 574 Ca -0.38 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.54 2dgx h LEU 574 Cb 1.51 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 2dgx h LEU 574 CO -0.13 0.31 0.03 -0.07 0.09 0.00 0.00 178.44 178.67 2dgx h LEU 575 N 0.33 -0.02 -1.52 1.67 3.38 -1.55 -1.59 115.31 116.01 2dgx h LEU 575 Ca 0.10 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.23 2dgx h LEU 575 Cb 0.05 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 2dgx h LEU 575 CO -0.02 0.02 0.49 -0.61 0.09 0.00 0.00 178.44 178.41 2dgx h GLN 576 N 0.10 0.48 0.34 1.13 4.15 -1.57 -1.27 115.11 118.47 2dgx h GLN 576 Ca 0.09 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 2dgx h GLN 576 Cb 0.10 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.68 2dgx h GLN 576 CO -0.14 0.32 -0.16 0.93 -1.93 0.00 0.00 178.83 177.85 2dgx h GLU 577 N 0.50 -0.44 0.27 1.69 4.39 -0.80 -0.31 114.58 119.88 2dgx h GLU 577 Ca 0.35 0.03 0.01 0.00 0.34 0.00 0.00 59.36 60.09 2dgx h GLU 577 Cb 0.69 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.41 2dgx h GLU 577 CO -0.12 -0.13 -0.37 0.00 -1.16 0.00 0.00 179.01 177.22 2dgx h ALA 578 N -0.23 -0.75 -0.04 3.43 0.00 -0.85 -1.10 119.26 119.71 2dgx h ALA 578 Ca -0.05 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2dgx h ALA 578 Cb 0.51 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2dgx h ALA 578 CO 0.08 -0.97 0.04 0.74 0.00 0.00 0.00 179.25 179.13 2dgx h PHE 579 N -0.71 0.00 -0.23 0.00 0.04 -1.32 -1.23 116.94 113.49 2dgx h PHE 579 Ca -0.01 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.62 2dgx h PHE 579 Cb 0.67 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.81 2dgx h PHE 579 CO -0.26 0.00 -0.43 0.00 -0.60 0.00 0.00 178.31 177.02 2dgx h ALA 580 N 1.97 0.82 -0.03 2.45 0.00 0.13 -2.60 119.26 121.99 2dgx h ALA 580 Ca 0.02 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.48 2dgx h ALA 580 Cb 0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2dgx h ALA 580 CO -0.00 0.65 0.03 0.00 0.00 0.00 0.00 179.25 179.93 2dgx h ARG 581 N 0.46 0.00 0.00 0.00 3.08 -0.10 -3.21 114.38 114.61 2dgx h ARG 581 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2dgx h ARG 581 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 2dgx h ARG 581 CO 0.08 0.00 -0.10 0.45 -1.07 0.00 0.00 179.97 179.34 2dgx h HIS 582 N 0.00 0.00 0.00 3.04 3.86 -1.53 -3.50 115.15 117.01 2dgx h HIS 582 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2dgx h HIS 582 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 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 1.80 2.85 2.86 2.45 0.00 -1.00 -5.07 105.19 109.08 2dgx n GLY 583 Ca -0.01 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 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 3.60 1.26 0.14 1.61 2.47 -1.26 -4.62 119.74 122.94 2dgx s LYS 584 Ca 0.00 -0.78 -0.31 0.00 -1.56 0.00 0.00 55.97 53.32 2dgx s LYS 584 Cb 0.00 -2.41 -0.10 0.00 -1.46 0.00 0.00 37.83 33.85 2dgx s LYS 584 CO 0.00 -0.62 1.78 0.08 0.16 0.00 0.00 175.35 176.76 2dgx s VAL 585 N 1.57 2.48 -0.20 4.02 1.01 -1.26 -2.08 120.40 125.93 2dgx s VAL 585 Ca -0.04 0.10 -0.17 0.00 0.00 0.00 0.00 61.98 61.86 2dgx s VAL 585 Cb -0.18 -3.06 -0.20 0.00 0.00 0.00 0.00 36.38 32.94 2dgx s VAL 585 CO -0.07 0.00 0.17 1.17 0.00 0.00 0.00 175.10 176.37 2dgx n LYS 586 N 5.26 0.61 -3.65 2.72 4.81 0.15 -4.80 118.16 123.27 2dgx n LYS 586 Ca 0.17 0.47 -0.10 0.00 -0.87 0.00 0.00 58.31 57.98 2dgx n LYS 586 Cb 0.38 -1.71 -0.02 0.00 0.02 0.00 0.00 35.03 33.70 2dgx n LYS 586 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2dgx s SER 587 N -6.96 -0.40 -0.10 3.14 0.15 -0.58 -4.96 113.70 104.00 2dgx s SER 587 Ca -0.29 -0.32 -0.03 0.00 0.70 0.00 0.00 55.95 56.01 2dgx s SER 587 Cb 0.07 0.65 0.05 0.00 -1.71 0.00 0.00 66.02 65.08 2dgx s SER 587 CO 0.62 -1.14 0.13 -0.69 1.20 0.00 0.00 173.24 173.37 2dgx s VAL 588 N -3.84 -0.21 0.05 4.45 1.01 -1.26 0.84 120.40 121.45 2dgx s VAL 588 Ca 0.06 0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.33 2dgx s VAL 588 Cb -0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 2dgx s VAL 588 CO -0.03 0.04 -0.12 -1.61 0.00 0.00 0.00 175.10 173.37 2dgx s GLU 589 N 2.24 2.23 -0.02 2.72 2.02 -0.79 -5.00 118.70 122.10 2dgx s GLU 589 Ca 0.04 -0.92 0.06 0.00 0.02 0.00 0.00 54.97 54.17 2dgx s GLU 589 Cb -0.13 -2.32 -0.02 0.00 0.10 0.00 0.00 34.13 31.75 2dgx s GLU 589 CO -0.07 0.55 -0.20 -0.51 0.02 0.00 0.00 175.26 175.05 2dgx s LEU 590 N -1.69 2.43 0.49 1.80 1.43 -1.26 -1.63 118.68 120.25 2dgx s LEU 590 Ca 0.18 -0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 52.73 2dgx s LEU 590 Cb -0.11 -1.46 -0.08 0.00 0.03 0.00 0.00 46.19 44.57 2dgx s LEU 590 CO 0.09 0.32 1.04 -0.44 0.23 0.00 0.00 176.35 177.58 2dgx s SER 591 N -0.81 6.32 0.00 2.29 0.01 -0.58 -4.92 113.70 116.00 2dgx s SER 591 Ca 0.11 1.92 0.15 0.00 1.31 0.00 0.00 55.95 59.44 2dgx s SER 591 Cb -0.10 -2.56 0.80 0.00 0.21 0.00 0.00 66.02 64.37 2dgx s SER 591 CO 0.01 -0.80 1.39 -0.81 0.41 0.00 0.00 173.24 173.44 2dgx n PRO 592 N -1.03 0.29 -2.54 12.44 -0.04 -1.26 -4.71 135.00 138.14 2dgx n PRO 592 Ca 0.09 0.10 -0.43 0.00 -0.04 0.00 0.00 63.50 63.23 2dgx n PRO 592 Cb 0.53 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 2dgx n PRO 592 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2dgx s HIS 593 N -2.40 3.08 -0.57 0.54 3.76 -1.26 -4.92 115.29 113.52 2dgx s HIS 593 Ca 0.17 1.23 0.01 0.00 -0.15 0.00 0.00 55.06 56.31 2dgx s HIS 593 Cb 0.10 -3.42 0.47 0.00 1.11 0.00 0.00 32.58 30.84 2dgx s HIS 593 CO 0.21 -1.09 1.85 -2.37 -0.85 0.00 0.00 174.74 172.50 2dgx n THR 594 N 5.41 3.36 -4.07 1.30 5.66 -1.26 -4.34 114.28 120.34 2dgx n THR 594 Ca 0.13 -3.06 -0.15 0.00 -3.05 0.00 0.00 64.05 57.92 2dgx n THR 594 Cb 0.46 -1.06 -0.04 0.00 -1.55 0.00 0.00 70.33 68.14 2dgx n THR 594 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2dgx n ASP 595 N -0.91 -1.19 -0.58 1.09 2.03 -1.26 -5.00 116.55 110.73 2dgx n ASP 595 Ca 0.58 -2.83 0.44 0.00 0.52 0.00 0.00 54.79 53.50 2dgx n ASP 595 Cb 0.82 2.28 0.68 0.00 -0.72 0.00 0.00 41.12 44.18 2dgx n ASP 595 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dgx n TYR 596 N -0.55 0.07 -0.14 -0.67 4.11 -1.26 0.15 117.16 118.87 2dgx n TYR 596 Ca 0.02 0.07 -0.06 0.00 -0.00 0.00 0.00 57.90 57.93 2dgx n TYR 596 Cb 0.56 -0.49 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 -3.71 1.28 -2.99 -3.48 1.13 -1.26 -4.68 117.38 103.68 2dgx n GLN 597 Ca 0.37 -0.59 -0.42 0.00 -1.94 0.00 0.00 57.00 54.41 2dgx n GLN 597 Cb 1.65 -1.23 -0.05 0.00 0.11 0.00 0.00 30.24 30.72 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 -0.68 4.19 0.00 1.08 2.96 0.41 -4.65 118.68 121.99 2dgx s LEU 598 Ca 0.12 0.17 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 2dgx s LEU 598 Cb 0.09 -2.96 0.01 0.00 0.50 0.00 0.00 46.19 43.83 2dgx s LEU 598 CO 0.01 -0.76 0.08 0.29 -1.32 0.00 0.00 176.35 174.64 2dgx n LYS 599 N 6.44 1.17 -3.79 1.98 5.02 -1.26 -2.87 118.16 124.85 2dgx n LYS 599 Ca 0.02 -2.21 -0.02 0.00 -2.02 0.00 0.00 58.31 54.08 2dgx n LYS 599 Cb 0.48 0.49 0.00 0.00 -0.02 0.00 0.00 35.03 35.98 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 -2.52 -1.75 -0.22 7.82 0.00 0.38 -1.52 121.76 123.94 2dgx s ALA 600 Ca 0.06 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.02 2dgx s ALA 600 Cb -0.00 0.65 0.08 0.00 0.00 0.00 0.00 23.12 23.84 2dgx s ALA 600 CO 0.04 -1.06 0.11 0.08 0.00 0.00 0.00 175.76 174.92 2dgx s VAL 601 N -2.71 -0.05 -0.48 0.00 1.01 -0.65 -0.38 120.40 117.14 2dgx s VAL 601 Ca 0.17 -0.43 -0.23 0.00 0.00 0.00 0.00 61.98 61.49 2dgx s VAL 601 Cb -0.01 -0.76 0.03 0.00 0.00 0.00 0.00 36.38 35.64 2dgx s VAL 601 CO 0.02 -0.47 0.79 -0.69 0.00 0.00 0.00 175.10 174.75 2dgx s VAL 602 N 2.11 4.63 0.22 2.92 1.01 0.11 -1.89 120.40 129.52 2dgx s VAL 602 Ca 0.05 0.27 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 2dgx s VAL 602 Cb -0.16 -4.36 -0.09 0.00 0.00 0.00 0.00 36.38 31.78 2dgx s VAL 602 CO -0.21 -0.80 0.95 -1.58 0.00 0.00 0.00 175.10 173.46 2dgx s GLN 603 N 3.32 4.82 0.29 2.72 0.74 0.25 -1.18 119.66 130.62 2dgx s GLN 603 Ca 0.28 1.50 0.11 0.00 0.05 0.00 0.00 55.36 57.30 2dgx s GLN 603 Cb -0.13 -3.29 -0.05 0.00 1.10 0.00 0.00 33.01 30.64 2dgx s GLN 603 CO 0.20 0.45 -0.16 -1.64 -0.55 0.00 0.00 175.29 173.60 2dgx s MET 604 N -1.00 1.79 -0.07 1.67 -1.94 0.64 0.32 119.30 120.70 2dgx s MET 604 Ca 0.42 -1.75 -0.08 0.00 -1.71 0.00 0.00 55.69 52.57 2dgx s MET 604 Cb -0.26 -1.81 -0.05 0.00 2.01 0.00 0.00 34.83 34.72 2dgx s MET 604 CO 0.32 0.30 0.32 0.93 -0.01 0.00 0.00 175.02 176.88 2dgx h GLU 605 N 2.18 -0.23 -6.06 2.03 4.39 -1.73 -3.05 114.58 112.11 2dgx h GLU 605 Ca -0.41 0.02 -0.60 0.00 0.34 0.00 0.00 59.36 58.71 2dgx h GLU 605 Cb 1.26 0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.91 2dgx h GLU 605 CO 0.62 -0.12 -0.25 1.21 -1.16 0.00 0.00 179.01 179.30 2dgx s ASN 606 N -5.29 6.66 0.05 1.42 2.47 -1.26 -4.58 114.94 114.41 2dgx s ASN 606 Ca -0.04 0.80 -0.32 0.00 0.42 0.00 0.00 52.86 53.71 2dgx s ASN 606 Cb 0.00 -2.18 -0.19 0.00 -1.45 0.00 0.00 41.25 37.43 2dgx s ASN 606 CO 0.13 0.22 1.49 0.25 -3.72 0.00 0.00 177.10 175.47 2dgx h LEU 607 N 3.98 -0.84 -0.38 3.21 7.12 -1.90 -3.12 115.31 123.38 2dgx h LEU 607 Ca -0.50 0.01 0.08 0.00 0.13 0.00 0.00 57.88 57.60 2dgx h LEU 607 Cb 1.20 0.22 -0.08 0.00 -0.53 0.00 0.00 40.66 41.46 2dgx h LEU 607 CO 0.65 -0.55 -0.22 -0.61 -0.13 0.00 0.00 178.44 177.58 2dgx h GLN 608 N -1.08 -0.15 -1.27 1.25 4.15 -2.00 0.48 115.11 116.49 2dgx h GLN 608 Ca -0.10 0.01 0.43 0.00 0.77 0.00 0.00 58.65 59.76 2dgx h GLN 608 Cb 0.78 0.03 -0.14 0.00 0.21 0.00 0.00 27.48 28.37 2dgx h GLN 608 CO 0.17 -0.10 0.80 -0.44 -1.93 0.00 0.00 178.83 177.33 2dgx h ASP 609 N -0.15 0.27 0.10 -0.69 3.32 -1.97 0.23 116.42 117.52 2dgx h ASP 609 Ca 0.19 0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 2dgx h ASP 609 Cb 0.44 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.14 2dgx h ASP 609 CO -0.47 -0.21 -0.05 0.00 -1.72 0.00 0.00 179.24 176.79 2dgx h ALA 610 N 1.66 -0.13 -0.92 3.45 0.00 -0.85 -2.47 119.26 120.00 2dgx h ALA 610 Ca 0.82 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 55.57 2dgx h ALA 610 Cb 2.50 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 20.22 2dgx h ALA 610 CO -0.47 -0.25 -0.48 -0.89 0.00 0.00 0.00 179.25 177.16 2dgx n ILE 611 N -4.86 -0.58 -0.10 0.00 5.41 0.77 -0.56 119.36 119.44 2dgx n ILE 611 Ca -0.08 2.20 -0.11 0.00 1.00 0.00 0.00 62.75 65.76 2dgx n ILE 611 Cb 0.29 -2.79 -0.03 0.00 -0.71 0.00 0.00 39.64 36.40 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 0.58 0.02 7.39 0.00 -1.60 -2.84 103.07 106.61 2dgx h GLY 612 Ca 0.21 -0.43 0.26 0.00 0.00 0.00 0.00 47.33 47.38 2dgx h GLY 612 CO -0.88 0.39 0.68 0.00 0.00 0.00 0.00 176.54 176.73 2dgx h ALA 613 N 0.83 2.55 0.11 3.60 0.00 -0.33 0.34 119.26 126.36 2dgx h ALA 613 Ca 0.08 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2dgx h ALA 613 Cb 0.44 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2dgx h ALA 613 CO 0.02 -0.87 -0.05 0.28 0.00 0.00 0.00 179.25 178.62 2dgx h VAL 614 N 0.22 0.00 0.00 0.00 2.07 -0.68 0.20 116.25 118.06 2dgx h VAL 614 Ca 0.51 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.80 2dgx h VAL 614 Cb 1.61 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2dgx h VAL 614 CO -0.14 0.00 0.20 0.78 0.02 0.00 0.00 177.57 178.43 2dgx h ASN 615 N -0.38 0.00 0.00 0.57 2.35 -1.27 0.58 115.58 117.43 2dgx h ASN 615 Ca -0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 2dgx h ASN 615 Cb 0.11 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 2dgx h ASN 615 CO 0.02 0.00 -0.57 -1.20 -1.65 0.00 0.00 177.43 174.03 2dgx n SER 616 N -2.52 1.82 0.19 5.81 7.64 0.12 -4.26 113.62 122.43 2dgx n SER 616 Ca -0.02 0.61 0.14 0.00 1.01 0.00 0.00 58.87 60.61 2dgx n SER 616 Cb 0.24 -0.86 0.64 0.00 -1.01 0.00 0.00 64.21 63.22 2dgx n SER 616 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2dgx h LEU 617 N -1.00 0.00 -8.96 -3.43 3.38 -0.23 -3.45 115.31 101.61 2dgx h LEU 617 Ca -0.01 0.00 -0.87 0.00 0.09 0.00 0.00 57.88 57.09 2dgx h LEU 617 Cb 0.57 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.33 2dgx h LEU 617 CO -0.00 0.00 0.72 1.57 0.09 0.00 0.00 178.44 180.81 2dgx n HIS 618 N -2.51 1.74 -2.96 1.13 -0.00 0.20 0.10 115.22 112.93 2dgx n HIS 618 Ca 0.00 1.13 -0.14 0.00 0.46 0.00 0.00 57.72 59.17 2dgx n HIS 618 Cb 0.17 -2.23 0.04 0.00 -0.12 0.00 0.00 29.99 27.84 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 4.14 -4.03 -2.01 1.57 5.12 0.13 -4.93 116.66 116.66 2dgx n ARG 619 Ca 0.32 0.54 -0.43 0.00 -1.93 0.00 0.00 57.85 56.35 2dgx n ARG 619 Cb -0.06 -4.67 -0.03 0.00 -1.16 0.00 0.00 32.46 26.55 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 -3.07 1.86 -0.84 -1.55 5.04 0.29 -4.65 117.35 114.44 2dgx s TYR 620 Ca 0.28 0.55 -0.21 0.00 -2.44 0.00 0.00 57.07 55.25 2dgx s TYR 620 Cb -0.12 -4.08 -0.20 0.00 0.35 0.00 0.00 41.96 37.90 2dgx s TYR 620 CO 0.34 -3.09 2.37 1.17 -1.34 0.00 0.00 175.55 175.01 2dgx n LYS 621 N 8.15 0.38 -4.44 4.97 3.00 -1.26 -2.93 118.16 126.04 2dgx n LYS 621 Ca 0.22 -0.34 -0.25 0.00 -0.00 0.00 0.00 58.31 57.94 2dgx n LYS 621 Cb 0.46 -2.51 -0.11 0.00 0.00 0.00 0.00 35.03 32.87 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 8.92 2.38 0.00 3.15 1.01 -1.07 -5.01 121.20 130.58 2dgx s ILE 622 Ca 1.12 -2.19 0.00 0.00 0.00 0.00 0.00 60.65 59.58 2dgx s ILE 622 Cb -0.52 -2.19 0.00 0.00 0.01 0.00 0.00 42.46 39.77 2dgx s ILE 622 CO 0.32 -0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.62 2dgx n GLY 623 N -0.11 1.70 0.10 6.18 0.00 -1.26 -1.05 105.19 110.76 2dgx n GLY 623 Ca -0.09 0.41 0.01 0.00 0.00 0.00 0.00 46.02 46.35 2dgx n GLY 623 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dgx n SER 624 N 2.65 1.49 -4.06 1.61 3.41 -1.26 -5.03 113.62 112.43 2dgx n SER 624 Ca 0.00 -1.37 -0.08 0.00 -0.26 0.00 0.00 58.87 57.16 2dgx n SER 624 Cb 0.00 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 63.83 2dgx n SER 624 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2dgx s LYS 625 N -0.43 0.52 -0.38 4.33 1.02 -0.21 -5.07 119.74 119.51 2dgx s LYS 625 Ca 0.03 -1.02 -0.23 0.00 0.02 0.00 0.00 55.97 54.77 2dgx s LYS 625 Cb 0.02 0.15 0.01 0.00 -0.52 0.00 0.00 37.83 37.49 2dgx s LYS 625 CO 0.03 -0.08 0.76 0.15 -0.92 0.00 0.00 175.35 175.29 2dgx s LYS 626 N -3.09 3.66 0.55 1.68 3.01 -1.26 -2.61 119.74 121.67 2dgx s LYS 626 Ca -0.00 0.17 -0.20 0.00 -1.01 0.00 0.00 55.97 54.93 2dgx s LYS 626 Cb 0.02 -3.84 -0.05 0.00 -1.01 0.00 0.00 37.83 32.95 2dgx s LYS 626 CO -0.07 -0.90 1.20 0.96 0.51 0.00 0.00 175.35 177.05 2dgx s ILE 627 N 3.09 2.77 -0.28 2.17 -4.36 -1.15 -4.76 121.20 118.69 2dgx s ILE 627 Ca 0.30 0.51 -0.01 0.00 -0.26 0.00 0.00 60.65 61.19 2dgx s ILE 627 Cb -0.13 -3.22 0.04 0.00 1.25 0.00 0.00 42.46 40.40 2dgx s ILE 627 CO 0.18 -0.07 -0.03 -0.76 0.24 0.00 0.00 174.94 174.50 2dgx s LEU 628 N -3.73 3.58 0.30 0.37 1.43 0.55 0.21 118.68 121.39 2dgx s LEU 628 Ca 0.73 -1.12 -0.14 0.00 -1.03 0.00 0.00 54.13 52.58 2dgx s LEU 628 Cb -0.30 -1.68 -0.09 0.00 0.03 0.00 0.00 46.19 44.15 2dgx s LEU 628 CO 0.34 -0.20 0.69 -0.69 0.23 0.00 0.00 176.35 176.72 2dgx s VAL 629 N 1.27 4.74 -0.19 -1.59 1.01 -1.26 -1.55 120.40 122.82 2dgx s VAL 629 Ca -0.03 0.84 -0.27 0.00 0.00 0.00 0.00 61.98 62.51 2dgx s VAL 629 Cb -0.18 -3.61 0.09 0.00 0.00 0.00 0.00 36.38 32.67 2dgx s VAL 629 CO -0.03 -0.15 0.82 -0.44 0.00 0.00 0.00 175.10 175.30 2dgx s SER 630 N -2.29 -0.60 0.64 3.32 0.01 -0.06 -4.86 113.70 109.87 2dgx s SER 630 Ca 0.52 0.96 -0.10 0.00 1.31 0.00 0.00 55.95 58.64 2dgx s SER 630 Cb -0.10 0.90 -0.01 0.00 0.21 0.00 0.00 66.02 67.01 2dgx s SER 630 CO 0.18 -0.34 1.03 -0.76 0.41 0.00 0.00 173.24 173.76 2dgx s LEU 631 N -0.32 3.13 -0.13 2.44 1.43 -1.26 0.92 118.68 124.88 2dgx s LEU 631 Ca -0.03 1.22 0.01 0.00 -1.03 0.00 0.00 54.13 54.31 2dgx s LEU 631 Cb -0.03 -4.15 0.02 0.00 0.03 0.00 0.00 46.19 42.06 2dgx s LEU 631 CO 0.02 -1.05 -0.14 0.00 0.23 0.00 0.00 176.35 175.41 2dgx s ALA 632 N -3.21 1.78 -0.04 4.21 0.00 -1.04 -4.72 121.76 118.74 2dgx s ALA 632 Ca 0.56 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.72 2dgx s ALA 632 Cb -0.11 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 22.05 2dgx s ALA 632 CO 0.52 -0.28 -0.11 -0.08 0.00 0.00 0.00 175.76 175.81 2dgx s THR 633 N 1.33 1.00 0.00 0.00 -1.32 -1.26 -4.74 115.64 110.65 2dgx s THR 633 Ca 0.01 -0.45 0.00 0.00 -1.21 0.00 0.00 61.69 60.04 2dgx s THR 633 Cb -0.13 -0.90 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 2dgx s THR 633 CO -0.07 0.31 0.00 0.61 -2.21 0.00 0.00 174.62 173.26 2dgx n GLY 634 N 3.48 0.58 0.55 6.08 0.00 -1.26 -5.10 105.19 109.52 2dgx n GLY 634 Ca -0.20 0.16 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 2.44 -3.45 4.61 0.00 -1.26 -5.05 120.51 117.81 2dgx n ALA 635 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 53.44 53.28 2dgx n ALA 635 Cb 0.00 0.44 -0.05 0.00 0.00 0.00 0.00 19.45 19.85 2dgx n ALA 635 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dgx s SER 636 N -4.91 -0.85 -0.45 0.00 0.15 -1.26 -5.10 113.70 101.27 2dgx s SER 636 Ca -0.05 1.04 0.06 0.00 0.70 0.00 0.00 55.95 57.71 2dgx s SER 636 Cb 0.02 1.91 0.18 0.00 -1.71 0.00 0.00 66.02 66.41 2dgx s SER 636 CO 0.07 -0.25 0.58 -0.83 1.20 0.00 0.00 173.24 174.00 2dgx s GLY 637 N 2.78 -0.58 1.04 9.45 0.00 -1.26 -5.15 107.32 113.60 2dgx s GLY 637 Ca 0.06 -0.79 -0.17 0.00 0.00 0.00 0.00 44.72 43.82 2dgx s GLY 637 CO -0.18 3.21 0.92 -1.55 0.00 0.00 0.00 173.10 175.50 2dgx n PRO 638 N 3.42 -2.83 -1.98 2.90 -0.04 -1.26 -4.93 135.00 130.29 2dgx n PRO 638 Ca 0.18 -1.47 -0.42 0.00 -0.04 0.00 0.00 63.50 61.74 2dgx n PRO 638 Cb 0.53 -1.38 -0.03 0.00 -0.04 0.00 0.00 33.50 32.58 2dgx n PRO 638 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dgx s SER 639 N -3.99 6.65 -0.88 3.54 1.04 -1.26 -4.95 113.70 113.85 2dgx s SER 639 Ca 0.60 2.40 -0.02 0.00 0.48 0.00 0.00 55.95 59.41 2dgx s SER 639 Cb -0.06 -2.56 0.22 0.00 0.10 0.00 0.00 66.02 63.72 2dgx s SER 639 CO 0.46 -0.87 0.76 -0.94 0.98 0.00 0.00 173.24 173.64 2dgx s SER 640 N 2.45 5.97 0.00 7.02 1.04 -1.26 -5.33 113.70 123.58 2dgx s SER 640 Ca 0.72 -3.68 0.00 0.00 0.48 0.00 0.00 55.95 53.48 2dgx s SER 640 Cb -0.38 -1.91 0.00 0.00 0.10 0.00 0.00 66.02 63.83 2dgx s SER 640 CO 0.31 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.95