#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 6.70 -0.09 1.61 0.01 -1.26 -5.04 113.70 115.62 2dgx s SER 547 Ca 0.00 0.75 0.04 0.00 1.31 0.00 0.00 55.95 58.05 2dgx s SER 547 Cb 0.00 -2.41 -0.00 0.00 0.21 0.00 0.00 66.02 63.82 2dgx s SER 547 CO 0.00 -0.58 -0.24 -0.44 0.41 0.00 0.00 173.24 172.39 2dgx s SER 548 N 1.55 3.04 -1.30 2.44 0.01 -1.26 -5.05 113.70 113.13 2dgx s SER 548 Ca 0.33 -0.54 -0.13 0.00 1.31 0.00 0.00 55.95 56.91 2dgx s SER 548 Cb -0.14 -1.32 0.12 0.00 0.21 0.00 0.00 66.02 64.89 2dgx s SER 548 CO 0.11 0.17 1.79 0.61 0.41 0.00 0.00 173.24 176.32 2dgx n GLY 549 N 3.46 3.83 3.21 3.44 0.00 -1.26 -4.94 105.19 112.94 2dgx n GLY 549 Ca -0.19 -1.84 -0.26 0.00 0.00 0.00 0.00 46.02 43.73 2dgx n GLY 549 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dgx s SER 550 N 2.60 2.32 0.17 1.61 1.04 -1.26 -5.03 113.70 115.15 2dgx s SER 550 Ca 0.45 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.47 2dgx s SER 550 Cb 0.06 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.94 2dgx s SER 550 CO 0.00 0.20 0.00 -1.54 0.98 0.00 0.00 173.24 172.89 2dgx n SER 551 N 2.32 0.39 0.00 7.02 3.41 -1.26 -5.00 113.62 120.50 2dgx n SER 551 Ca -0.16 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2dgx n SER 551 Cb 0.53 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 2dgx n SER 551 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dgx n GLY 552 N 2.44 -1.23 3.43 5.00 0.00 -1.26 -4.34 105.19 109.23 2dgx n GLY 552 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 2dgx n GLY 552 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dgx n ASN 553 N 0.00 1.06 0.00 1.61 3.02 -1.26 -4.44 115.26 115.25 2dgx n ASN 553 Ca 0.00 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 2dgx n ASN 553 Cb 0.00 -1.07 0.00 0.00 -0.61 0.00 0.00 39.78 38.10 2dgx n ASN 553 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dgx n GLY 554 N 6.70 -0.92 2.63 7.41 0.00 -1.26 -5.04 105.19 114.70 2dgx n GLY 554 Ca 0.54 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.00 0.35 -0.47 4.61 0.00 -1.20 -4.69 121.76 119.36 2dgx s ALA 555 Ca 0.00 -0.16 -0.17 0.00 0.00 0.00 0.00 51.96 51.63 2dgx s ALA 555 Cb 0.00 -0.95 0.05 0.00 0.00 0.00 0.00 23.12 22.23 2dgx s ALA 555 CO 0.00 -1.01 0.45 -0.51 0.00 0.00 0.00 175.76 174.69 2dgx s ASP 556 N 2.16 6.17 -0.53 0.00 1.11 -1.26 -1.30 116.67 123.02 2dgx s ASP 556 Ca 0.03 -1.07 -0.20 0.00 0.18 0.00 0.00 52.55 51.49 2dgx s ASP 556 Cb -0.15 -2.22 0.06 0.00 1.07 0.00 0.00 42.92 41.68 2dgx s ASP 556 CO -0.08 -0.68 0.70 -0.69 1.18 0.00 0.00 175.17 175.61 2dgx s VAL 557 N 1.99 4.76 -0.09 -1.27 1.01 -0.32 -2.42 120.40 124.06 2dgx s VAL 557 Ca 0.08 -0.37 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 2dgx s VAL 557 Cb -0.21 -4.37 -0.03 0.00 0.00 0.00 0.00 36.38 31.77 2dgx s VAL 557 CO 0.09 -0.91 1.29 -1.10 0.00 0.00 0.00 175.10 174.47 2dgx s GLN 558 N 2.94 4.29 -0.07 2.72 -1.52 0.99 -1.00 119.66 128.01 2dgx s GLN 558 Ca 0.18 1.75 0.04 0.00 -1.95 0.00 0.00 55.36 55.38 2dgx s GLN 558 Cb -0.18 -3.66 -0.02 0.00 -0.22 0.00 0.00 33.01 28.93 2dgx s GLN 558 CO 0.13 -0.59 -0.19 0.08 -0.25 0.00 0.00 175.29 174.47 2dgx s VAL 559 N 2.83 2.58 0.17 1.09 1.01 0.27 -0.96 120.40 127.40 2dgx s VAL 559 Ca 0.58 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 2dgx s VAL 559 Cb -0.25 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 2dgx s VAL 559 CO 0.21 0.57 0.11 -0.44 0.00 0.00 0.00 175.10 175.54 2dgx s SER 560 N -0.22 0.21 -1.04 3.32 0.01 -0.80 -1.65 113.70 113.54 2dgx s SER 560 Ca -0.01 -1.32 -0.02 0.00 1.31 0.00 0.00 55.95 55.92 2dgx s SER 560 Cb -0.13 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.45 2dgx s SER 560 CO 0.03 -0.80 0.22 -3.20 0.41 0.00 0.00 173.24 169.90 2dgx n ASN 561 N -0.21 -4.27 -4.65 2.44 5.15 -1.26 -0.27 115.26 112.20 2dgx n ASN 561 Ca -0.01 -0.11 -0.42 0.00 -0.60 0.00 0.00 54.58 53.45 2dgx n ASN 561 Cb 0.65 -3.28 -0.04 0.00 -0.53 0.00 0.00 39.78 36.58 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 -2.81 4.80 -0.74 -1.44 1.01 -1.24 -3.97 121.20 116.81 2dgx s ILE 562 Ca 0.11 1.67 -0.30 0.00 0.00 0.00 0.00 60.65 62.12 2dgx s ILE 562 Cb -0.05 -4.16 -0.16 0.00 0.01 0.00 0.00 42.46 38.11 2dgx s ILE 562 CO 0.13 -0.10 2.53 -0.90 0.00 0.00 0.00 174.94 176.61 2dgx n ASP 563 N 6.07 1.20 -0.25 3.58 5.68 -1.26 -4.67 116.55 126.90 2dgx n ASP 563 Ca 0.07 -0.02 -0.06 0.00 -0.50 0.00 0.00 54.79 54.28 2dgx n ASP 563 Cb 0.47 -1.19 0.05 0.00 -1.14 0.00 0.00 41.12 39.31 2dgx n ASP 563 CO 0.00 0.00 0.00 0.10 -1.33 0.00 0.00 177.20 175.97 2dgx h TYR 564 N 14.59 1.03 -0.72 2.11 -0.00 -1.90 -3.16 116.97 128.91 2dgx h TYR 564 Ca -0.14 -0.06 0.07 0.00 -0.00 0.00 0.00 58.73 58.59 2dgx h TYR 564 Cb 1.30 -0.31 -0.09 0.00 -0.00 0.00 0.00 36.73 37.63 2dgx h TYR 564 CO 1.03 0.78 -0.42 0.54 -0.00 0.00 0.00 178.16 180.09 2dgx n ARG 565 N -4.41 -0.31 -0.87 0.10 1.74 -1.26 -4.47 116.66 107.18 2dgx n ARG 565 Ca 0.05 1.09 -0.35 0.00 -0.77 0.00 0.00 57.85 57.87 2dgx n ARG 565 Cb 0.15 -1.61 0.09 0.00 -1.02 0.00 0.00 32.46 30.07 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 -4.91 -3.02 -4.80 0.55 4.77 -1.20 -4.91 117.00 103.47 2dgx n LEU 566 Ca 0.02 0.07 -0.35 0.00 -0.03 0.00 0.00 56.01 55.72 2dgx n LEU 566 Cb 0.19 -0.81 -0.07 0.00 -2.33 0.00 0.00 43.42 40.40 2dgx n LEU 566 CO -0.11 -3.69 0.64 -0.94 -1.33 0.00 0.00 177.39 171.95 2dgx s SER 567 N -1.42 7.10 0.49 -1.43 1.04 -1.26 -4.93 113.70 113.29 2dgx s SER 567 Ca 0.46 1.74 0.16 0.00 0.48 0.00 0.00 55.95 58.79 2dgx s SER 567 Cb -0.08 -2.55 1.17 0.00 0.10 0.00 0.00 66.02 64.66 2dgx s SER 567 CO 0.70 -0.24 2.08 0.03 0.98 0.00 0.00 173.24 176.80 2dgx h ARG 568 N 2.43 0.00 0.00 4.02 3.08 -1.91 0.85 114.38 122.85 2dgx h ARG 568 Ca -0.48 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.44 2dgx h ARG 568 Cb 1.18 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.22 2dgx h ARG 568 CO 0.63 0.08 -0.59 0.87 -1.07 0.00 0.00 179.97 179.88 2dgx h LYS 569 N 0.00 0.00 0.00 0.04 1.57 -1.99 -2.37 116.57 113.81 2dgx h LYS 569 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2dgx h LYS 569 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2dgx h LYS 569 CO 0.01 0.59 -0.81 1.49 -0.57 0.00 0.00 179.45 180.17 2dgx h GLU 570 N 0.00 0.00 0.03 3.15 4.81 -1.62 -3.15 114.58 117.79 2dgx h GLU 570 Ca -0.01 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 2dgx h GLU 570 Cb 1.38 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.75 2dgx h GLU 570 CO 0.08 0.00 -0.93 -0.07 -0.73 0.00 0.00 179.01 177.36 2dgx h LEU 571 N 0.00 0.09 -1.00 1.64 3.38 -0.87 -2.89 115.31 115.67 2dgx h LEU 571 Ca 0.00 -0.74 -0.06 0.00 0.09 0.00 0.00 57.88 57.17 2dgx h LEU 571 Cb 0.93 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 2dgx h LEU 571 CO 0.00 1.38 0.04 0.06 0.09 0.00 0.00 178.44 180.01 2dgx h GLN 572 N -0.83 0.77 -0.19 1.13 3.07 -1.59 -0.88 115.11 116.58 2dgx h GLN 572 Ca -0.24 -0.18 -0.14 0.00 0.09 0.00 0.00 58.65 58.18 2dgx h GLN 572 Cb 1.33 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 28.79 2dgx h GLN 572 CO -0.08 0.75 -0.42 -0.56 0.09 0.00 0.00 178.83 178.61 2dgx h GLN 573 N 0.73 0.62 0.56 0.06 3.07 -1.70 -2.97 115.11 115.47 2dgx h GLN 573 Ca 0.15 -0.41 -0.03 0.00 0.09 0.00 0.00 58.65 58.45 2dgx h GLN 573 Cb 0.38 0.06 0.01 0.00 0.08 0.00 0.00 27.48 28.00 2dgx h GLN 573 CO 0.01 1.03 -0.27 -0.07 0.09 0.00 0.00 178.83 179.62 2dgx h LEU 574 N 0.30 -0.64 -0.86 0.06 3.38 -1.33 -2.81 115.31 113.40 2dgx h LEU 574 Ca 0.00 -0.04 0.22 0.00 0.09 0.00 0.00 57.88 58.16 2dgx h LEU 574 Cb 1.02 0.16 -0.14 0.00 0.09 0.00 0.00 40.66 41.80 2dgx h LEU 574 CO 0.09 -0.33 0.24 -0.07 0.09 0.00 0.00 178.44 178.46 2dgx h LEU 575 N -0.94 0.03 -0.96 1.67 3.38 -1.26 0.42 115.31 117.64 2dgx h LEU 575 Ca -0.08 0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.13 2dgx h LEU 575 Cb 0.64 0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 2dgx h LEU 575 CO 0.13 -0.13 0.62 -0.61 0.09 0.00 0.00 178.44 178.54 2dgx h GLN 576 N 0.23 1.13 0.39 1.13 4.15 -1.42 -2.14 115.11 118.59 2dgx h GLN 576 Ca 0.54 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.87 2dgx h GLN 576 Cb 1.06 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 28.50 2dgx h GLN 576 CO -0.63 0.75 -0.19 0.93 -1.93 0.00 0.00 178.83 177.77 2dgx h GLU 577 N 1.17 -0.50 0.10 1.69 5.08 0.07 0.38 114.58 122.57 2dgx h GLU 577 Ca 0.40 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 2dgx h GLU 577 Cb 0.09 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2dgx h GLU 577 CO -0.15 -0.30 -0.21 0.00 -1.00 0.00 0.00 179.01 177.34 2dgx h ALA 578 N 0.04 -0.80 -0.77 3.43 0.00 -1.12 0.17 119.26 120.22 2dgx h ALA 578 Ca -0.05 -0.06 0.21 0.00 0.00 0.00 0.00 54.91 55.01 2dgx h ALA 578 Cb 0.42 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 2dgx h ALA 578 CO 0.09 -0.84 0.54 0.74 0.00 0.00 0.00 179.25 179.78 2dgx h PHE 579 N -0.34 0.12 -0.39 0.00 0.04 -1.45 0.16 116.94 115.09 2dgx h PHE 579 Ca -0.01 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.66 2dgx h PHE 579 Cb 0.32 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 2dgx h PHE 579 CO -0.29 0.04 -0.20 0.00 -0.60 0.00 0.00 178.31 177.26 2dgx h ALA 580 N 1.63 0.92 -0.02 2.45 0.00 0.10 -2.42 119.26 121.91 2dgx h ALA 580 Ca 0.37 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2dgx h ALA 580 Cb 1.33 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2dgx h ALA 580 CO -0.04 0.62 0.04 0.00 0.00 0.00 0.00 179.25 179.87 2dgx h ARG 581 N 0.66 0.00 0.00 0.00 3.08 0.13 -3.20 114.38 115.05 2dgx h ARG 581 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2dgx h ARG 581 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 2dgx h ARG 581 CO 0.05 0.00 -0.13 0.45 -1.07 0.00 0.00 179.97 179.27 2dgx h HIS 582 N 0.00 0.00 0.00 3.04 3.86 -1.45 -3.51 115.15 117.10 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 0.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.56 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 1.73 3.00 2.94 2.45 0.00 -0.95 -5.09 105.19 109.27 2dgx n GLY 583 Ca -0.02 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 3.66 1.58 0.12 1.61 2.47 -1.26 -4.60 119.74 123.31 2dgx s LYS 584 Ca 0.00 -1.13 -0.31 0.00 -1.56 0.00 0.00 55.97 52.97 2dgx s LYS 584 Cb 0.00 -2.63 -0.09 0.00 -1.46 0.00 0.00 37.83 33.65 2dgx s LYS 584 CO 0.00 -0.67 1.53 0.08 0.16 0.00 0.00 175.35 176.45 2dgx s VAL 585 N 1.33 2.95 -0.16 4.02 1.01 -1.26 -2.05 120.40 126.24 2dgx s VAL 585 Ca -0.03 0.62 -0.14 0.00 0.00 0.00 0.00 61.98 62.43 2dgx s VAL 585 Cb -0.19 -3.40 -0.11 0.00 0.00 0.00 0.00 36.38 32.69 2dgx s VAL 585 CO -0.08 0.03 0.06 0.50 0.00 0.00 0.00 175.10 175.62 2dgx h LYS 586 N 7.18 0.00 -3.62 2.72 1.63 -0.47 -3.45 116.57 120.57 2dgx h LYS 586 Ca -0.42 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.32 2dgx h LYS 586 Cb 1.20 0.00 -0.09 0.00 -0.60 0.00 0.00 32.23 32.74 2dgx h LYS 586 CO 0.90 0.45 -0.11 -1.12 -3.45 0.00 0.00 179.45 176.13 2dgx s SER 587 N -6.17 -0.10 -0.15 4.20 0.01 -0.85 -4.99 113.70 105.65 2dgx s SER 587 Ca -0.19 -0.86 -0.04 0.00 1.31 0.00 0.00 55.95 56.17 2dgx s SER 587 Cb 0.03 0.58 0.06 0.00 0.21 0.00 0.00 66.02 66.89 2dgx s SER 587 CO 0.37 -1.11 0.10 -0.69 0.41 0.00 0.00 173.24 172.32 2dgx s VAL 588 N -3.99 -0.13 -0.00 3.43 1.01 -1.26 -1.32 120.40 118.13 2dgx s VAL 588 Ca 0.20 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.17 2dgx s VAL 588 Cb -0.01 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 2dgx s VAL 588 CO 0.07 -0.17 0.02 -1.61 0.00 0.00 0.00 175.10 173.41 2dgx s GLU 589 N 2.18 2.87 0.10 2.72 2.02 -0.85 -5.02 118.70 122.72 2dgx s GLU 589 Ca 0.03 -0.57 0.10 0.00 0.02 0.00 0.00 54.97 54.55 2dgx s GLU 589 Cb -0.15 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.32 2dgx s GLU 589 CO -0.08 0.63 -0.26 -0.51 0.02 0.00 0.00 175.26 175.06 2dgx s LEU 590 N -1.59 2.29 0.43 1.80 1.43 -1.26 -2.08 118.68 119.70 2dgx s LEU 590 Ca 0.20 -0.67 -0.18 0.00 -1.03 0.00 0.00 54.13 52.45 2dgx s LEU 590 Cb -0.12 -1.27 -0.09 0.00 0.03 0.00 0.00 46.19 44.74 2dgx s LEU 590 CO 0.11 0.21 0.90 -0.94 0.23 0.00 0.00 176.35 176.86 2dgx s SER 591 N -1.75 6.79 0.37 2.29 1.04 -0.36 -4.96 113.70 117.12 2dgx s SER 591 Ca 0.13 1.53 0.16 0.00 0.48 0.00 0.00 55.95 58.25 2dgx s SER 591 Cb -0.10 -2.48 0.71 0.00 0.10 0.00 0.00 66.02 64.25 2dgx s SER 591 CO 0.05 -0.39 1.78 1.55 0.98 0.00 0.00 173.24 177.21 2dgx h PRO 592 N 1.67 0.00 -6.30 4.02 0.13 -1.97 -3.45 132.00 126.10 2dgx h PRO 592 Ca -0.48 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.00 2dgx h PRO 592 Cb 1.18 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.40 2dgx h PRO 592 CO 0.62 0.40 0.11 0.72 -0.23 0.00 0.00 178.00 179.62 2dgx n HIS 593 N -3.80 1.00 -0.12 1.56 8.25 -1.26 -4.88 115.22 115.97 2dgx n HIS 593 Ca -0.01 0.75 0.05 0.00 -0.26 0.00 0.00 57.72 58.24 2dgx n HIS 593 Cb 0.46 -2.22 0.13 0.00 1.12 0.00 0.00 29.99 29.49 2dgx n HIS 593 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2dgx n THR 594 N 0.97 0.94 -3.86 1.59 5.66 -1.26 -4.64 114.28 113.68 2dgx n THR 594 Ca 0.14 -0.97 -0.14 0.00 -3.05 0.00 0.00 64.05 60.04 2dgx n THR 594 Cb 0.25 0.55 -0.01 0.00 -1.55 0.00 0.00 70.33 69.57 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 0.40 2.07 0.13 1.09 -0.08 -1.26 -4.94 116.55 113.96 2dgx n ASP 595 Ca 0.10 -1.98 0.07 0.00 -1.51 0.00 0.00 54.79 51.46 2dgx n ASP 595 Cb 0.39 0.03 0.36 0.00 2.34 0.00 0.00 41.12 44.24 2dgx n ASP 595 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2dgx n TYR 596 N -1.02 0.45 0.32 -0.67 0.18 -1.26 -0.92 117.16 114.24 2dgx n TYR 596 Ca -0.03 0.24 -0.04 0.00 1.88 0.00 0.00 57.90 59.95 2dgx n TYR 596 Cb 0.31 -0.76 0.09 0.00 -0.38 0.00 0.00 39.34 38.60 2dgx n TYR 596 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 2dgx n GLN 597 N -1.98 1.77 -2.50 -3.48 6.02 -1.26 -4.76 117.38 111.18 2dgx n GLN 597 Ca -0.01 -1.00 -0.43 0.00 -0.01 0.00 0.00 57.00 55.56 2dgx n GLN 597 Cb 0.18 -1.54 -0.02 0.00 1.02 0.00 0.00 30.24 29.88 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 -1.00 4.23 0.52 1.08 2.96 -0.10 -4.81 118.68 121.55 2dgx s LEU 598 Ca 0.18 1.69 0.02 0.00 -0.22 0.00 0.00 54.13 55.80 2dgx s LEU 598 Cb 0.15 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 43.28 2dgx s LEU 598 CO 0.04 -0.62 0.06 -0.54 -1.32 0.00 0.00 176.35 173.97 2dgx s LYS 599 N 2.66 2.21 0.07 1.98 1.02 -1.26 -3.63 119.74 122.78 2dgx s LYS 599 Ca 0.53 -2.35 -0.27 0.00 0.02 0.00 0.00 55.97 53.90 2dgx s LYS 599 Cb -0.22 -1.61 0.09 0.00 -0.52 0.00 0.00 37.83 35.56 2dgx s LYS 599 CO 0.18 -0.41 0.93 0.00 -0.92 0.00 0.00 175.35 175.13 2dgx s ALA 600 N -2.87 -1.76 -0.11 5.17 0.00 -0.66 -1.23 121.76 120.31 2dgx s ALA 600 Ca 0.09 0.60 -0.03 0.00 0.00 0.00 0.00 51.96 52.62 2dgx s ALA 600 Cb 0.01 0.52 0.04 0.00 0.00 0.00 0.00 23.12 23.69 2dgx s ALA 600 CO 0.05 -0.86 0.05 0.08 0.00 0.00 0.00 175.76 175.08 2dgx s VAL 601 N -3.17 0.13 -0.33 0.00 1.01 -0.88 -0.57 120.40 116.59 2dgx s VAL 601 Ca 0.09 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.92 2dgx s VAL 601 Cb -0.01 -0.53 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 2dgx s VAL 601 CO -0.04 -0.00 0.38 -0.69 0.00 0.00 0.00 175.10 174.75 2dgx s VAL 602 N 2.06 5.16 -0.05 2.92 1.01 -0.17 -2.00 120.40 129.33 2dgx s VAL 602 Ca 0.03 0.19 -0.22 0.00 0.00 0.00 0.00 61.98 61.98 2dgx s VAL 602 Cb -0.14 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 2dgx s VAL 602 CO -0.06 -0.05 0.65 -1.58 0.00 0.00 0.00 175.10 174.06 2dgx s GLN 603 N 2.07 4.40 0.06 2.72 2.00 -0.43 -1.17 119.66 129.30 2dgx s GLN 603 Ca 0.13 0.80 0.05 0.00 -2.00 0.00 0.00 55.36 54.34 2dgx s GLN 603 Cb -0.16 -3.41 -0.04 0.00 0.80 0.00 0.00 33.01 30.20 2dgx s GLN 603 CO 0.11 0.17 -0.08 -1.64 -0.50 0.00 0.00 175.29 173.35 2dgx s MET 604 N 0.47 2.34 0.06 1.67 -1.94 -0.42 0.27 119.30 121.75 2dgx s MET 604 Ca 0.34 -0.88 -0.26 0.00 -1.71 0.00 0.00 55.69 53.18 2dgx s MET 604 Cb -0.18 -2.40 -0.17 0.00 2.01 0.00 0.00 34.83 34.10 2dgx s MET 604 CO 0.17 0.55 1.57 0.93 -0.01 0.00 0.00 175.02 178.23 2dgx h GLU 605 N 4.01 -0.27 -6.01 2.03 4.39 -1.72 -3.17 114.58 113.84 2dgx h GLU 605 Ca -0.48 0.02 -0.63 0.00 0.34 0.00 0.00 59.36 58.61 2dgx h GLU 605 Cb 1.17 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.82 2dgx h GLU 605 CO 0.53 -0.09 -0.54 1.21 -1.16 0.00 0.00 179.01 178.97 2dgx s ASN 606 N -5.05 6.05 -0.02 1.42 2.47 -1.26 -4.69 114.94 113.86 2dgx s ASN 606 Ca -0.15 0.17 -0.21 0.00 0.42 0.00 0.00 52.86 53.09 2dgx s ASN 606 Cb 0.04 -1.78 -0.13 0.00 -1.45 0.00 0.00 41.25 37.93 2dgx s ASN 606 CO 0.63 0.17 0.90 0.25 -3.72 0.00 0.00 177.10 175.34 2dgx h LEU 607 N 3.17 -0.42 -0.26 3.21 7.12 -1.84 -3.24 115.31 123.04 2dgx h LEU 607 Ca -0.46 -0.12 0.06 0.00 0.13 0.00 0.00 57.88 57.50 2dgx h LEU 607 Cb 1.16 0.11 -0.08 0.00 -0.53 0.00 0.00 40.66 41.32 2dgx h LEU 607 CO 0.72 0.02 -0.32 1.56 -0.13 0.00 0.00 178.44 180.29 2dgx h GLN 608 N -1.00 -0.31 -1.42 1.25 1.08 -1.96 0.74 115.11 113.49 2dgx h GLN 608 Ca -0.05 0.02 0.46 0.00 -1.45 0.00 0.00 58.65 57.63 2dgx h GLN 608 Cb 0.52 0.07 -0.12 0.00 -0.05 0.00 0.00 27.48 27.89 2dgx h GLN 608 CO 0.08 -0.20 0.94 -0.44 -0.95 0.00 0.00 178.83 178.26 2dgx h ASP 609 N -0.32 0.19 0.06 1.46 5.19 -1.99 0.34 116.42 121.35 2dgx h ASP 609 Ca 0.13 0.12 -0.00 0.00 -0.62 0.00 0.00 57.03 56.66 2dgx h ASP 609 Cb 0.53 0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.16 2dgx h ASP 609 CO -0.44 -0.17 -0.03 0.00 -3.12 0.00 0.00 179.24 175.48 2dgx h ALA 610 N 1.51 -0.08 -0.64 3.45 0.00 -0.89 -2.75 119.26 119.86 2dgx h ALA 610 Ca 0.84 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 55.52 2dgx h ALA 610 Cb 2.78 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 20.53 2dgx h ALA 610 CO -0.36 -0.21 -0.38 -0.89 0.00 0.00 0.00 179.25 177.41 2dgx n ILE 611 N -4.82 -0.44 -0.04 0.00 5.41 0.12 -0.37 119.36 119.22 2dgx n ILE 611 Ca -0.08 1.75 -0.11 0.00 1.00 0.00 0.00 62.75 65.30 2dgx n ILE 611 Cb 0.30 -2.18 -0.06 0.00 -0.71 0.00 0.00 39.64 37.00 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 0.24 -0.30 7.39 0.00 -1.66 -2.70 103.07 106.05 2dgx h GLY 612 Ca 0.10 -0.15 0.32 0.00 0.00 0.00 0.00 47.33 47.61 2dgx h GLY 612 CO -0.61 0.14 0.80 0.00 0.00 0.00 0.00 176.54 176.88 2dgx h ALA 613 N 0.84 2.93 0.28 3.60 0.00 -0.50 0.39 119.26 126.79 2dgx h ALA 613 Ca 0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2dgx h ALA 613 Cb 0.25 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2dgx h ALA 613 CO 0.00 -1.28 -0.13 0.28 0.00 0.00 0.00 179.25 178.12 2dgx h VAL 614 N 0.08 0.00 0.00 0.00 2.07 -0.38 0.14 116.25 118.16 2dgx h VAL 614 Ca 0.56 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2dgx h VAL 614 Cb 2.09 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2dgx h VAL 614 CO -0.07 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.30 2dgx h ASN 615 N -1.00 0.00 0.00 0.57 2.35 -1.14 0.25 115.58 116.61 2dgx h ASN 615 Ca -0.04 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.67 2dgx h ASN 615 Cb 0.28 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2dgx h ASN 615 CO 0.06 0.00 -0.67 -1.20 -1.65 0.00 0.00 177.43 173.97 2dgx n SER 616 N -2.56 1.82 0.00 5.81 7.64 0.13 -4.19 113.62 122.27 2dgx n SER 616 Ca -0.02 0.59 0.07 0.00 1.01 0.00 0.00 58.87 60.52 2dgx n SER 616 Cb 0.07 -0.88 0.31 0.00 -1.01 0.00 0.00 64.21 62.70 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 -4.64 -3.43 4.77 0.50 -4.79 117.00 104.83 2dgx n LEU 617 Ca -0.12 0.42 -0.56 0.00 -0.03 0.00 0.00 56.01 55.73 2dgx n LEU 617 Cb 0.35 -0.42 -0.07 0.00 -2.33 0.00 0.00 43.42 40.95 2dgx n LEU 617 CO 0.12 -0.23 1.06 1.57 -1.33 0.00 0.00 177.39 178.59 2dgx n HIS 618 N -1.42 1.69 -2.61 -1.77 -0.00 0.85 0.54 115.22 112.50 2dgx n HIS 618 Ca 0.04 0.65 -0.21 0.00 0.46 0.00 0.00 57.72 58.66 2dgx n HIS 618 Cb 0.14 -2.36 0.01 0.00 -0.12 0.00 0.00 29.99 27.65 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 3.68 -2.76 -1.62 1.57 5.12 0.20 -4.87 116.66 117.98 2dgx n ARG 619 Ca 0.22 0.98 -0.43 0.00 -1.93 0.00 0.00 57.85 56.69 2dgx n ARG 619 Cb 0.15 -5.70 -0.03 0.00 -1.16 0.00 0.00 32.46 25.71 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 -3.09 1.19 -0.84 -1.55 5.04 0.19 -4.56 117.35 113.73 2dgx s TYR 620 Ca 0.10 0.41 -0.19 0.00 -2.44 0.00 0.00 57.07 54.95 2dgx s TYR 620 Cb -0.05 -3.97 -0.20 0.00 0.35 0.00 0.00 41.96 38.09 2dgx s TYR 620 CO 0.13 -4.26 2.22 1.17 -1.34 0.00 0.00 175.55 173.46 2dgx n LYS 621 N 8.59 0.31 -4.29 4.97 3.00 -1.26 -2.90 118.16 126.59 2dgx n LYS 621 Ca 0.28 -0.64 -0.26 0.00 -0.00 0.00 0.00 58.31 57.70 2dgx n LYS 621 Cb 0.44 -2.76 -0.09 0.00 0.00 0.00 0.00 35.03 32.63 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 9.81 3.30 0.00 3.15 1.01 -1.21 -5.02 121.20 132.25 2dgx s ILE 622 Ca 0.98 -1.71 0.00 0.00 0.00 0.00 0.00 60.65 59.92 2dgx s ILE 622 Cb -0.33 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.47 2dgx s ILE 622 CO 0.23 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.60 2dgx n GLY 623 N -0.22 1.40 0.03 6.18 0.00 -1.26 -1.01 105.19 110.30 2dgx n GLY 623 Ca -0.09 0.35 0.03 0.00 0.00 0.00 0.00 46.02 46.30 2dgx n GLY 623 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dgx n SER 624 N 2.25 1.93 -3.78 1.61 7.64 -1.26 -5.02 113.62 117.00 2dgx n SER 624 Ca 0.00 -2.27 -0.13 0.00 1.01 0.00 0.00 58.87 57.49 2dgx n SER 624 Cb 0.00 -0.13 -0.11 0.00 -1.01 0.00 0.00 64.21 62.95 2dgx n SER 624 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2dgx s LYS 625 N -1.47 0.31 -0.31 1.43 1.02 -0.18 -4.98 119.74 115.55 2dgx s LYS 625 Ca 0.09 0.39 -0.29 0.00 0.02 0.00 0.00 55.97 56.18 2dgx s LYS 625 Cb 0.08 0.14 0.01 0.00 -0.52 0.00 0.00 37.83 37.54 2dgx s LYS 625 CO 0.01 -0.05 1.25 0.15 -0.92 0.00 0.00 175.35 175.80 2dgx s LYS 626 N 0.22 3.93 0.18 1.68 1.02 -1.26 -3.33 119.74 122.19 2dgx s LYS 626 Ca -0.01 1.18 -0.30 0.00 0.02 0.00 0.00 55.97 56.86 2dgx s LYS 626 Cb -0.02 -3.86 -0.08 0.00 -0.52 0.00 0.00 37.83 33.35 2dgx s LYS 626 CO -0.00 -1.10 1.28 0.96 -0.92 0.00 0.00 175.35 175.57 2dgx s ILE 627 N 4.26 3.35 -0.41 2.17 -4.36 -1.14 -4.77 121.20 120.30 2dgx s ILE 627 Ca 0.54 1.10 -0.13 0.00 -0.26 0.00 0.00 60.65 61.91 2dgx s ILE 627 Cb -0.15 -3.70 0.05 0.00 1.25 0.00 0.00 42.46 39.90 2dgx s ILE 627 CO 0.22 0.16 0.28 -0.76 0.24 0.00 0.00 174.94 175.08 2dgx s LEU 628 N -0.01 5.10 0.27 0.37 1.43 0.63 0.63 118.68 127.10 2dgx s LEU 628 Ca 0.56 -1.15 -0.15 0.00 -1.03 0.00 0.00 54.13 52.36 2dgx s LEU 628 Cb -0.35 -2.08 -0.08 0.00 0.03 0.00 0.00 46.19 43.70 2dgx s LEU 628 CO 0.37 -0.49 0.68 -0.69 0.23 0.00 0.00 176.35 176.45 2dgx s VAL 629 N 1.58 4.71 -0.27 -1.59 1.01 -1.26 -1.90 120.40 122.67 2dgx s VAL 629 Ca 0.03 0.93 -0.24 0.00 0.00 0.00 0.00 61.98 62.71 2dgx s VAL 629 Cb -0.21 -3.68 0.07 0.00 0.00 0.00 0.00 36.38 32.56 2dgx s VAL 629 CO 0.07 -0.03 0.73 -0.94 0.00 0.00 0.00 175.10 174.93 2dgx s SER 630 N -2.09 -0.76 0.72 3.32 1.04 -0.13 -4.86 113.70 110.95 2dgx s SER 630 Ca 0.49 1.42 -0.11 0.00 0.48 0.00 0.00 55.95 58.23 2dgx s SER 630 Cb -0.12 1.43 0.02 0.00 0.10 0.00 0.00 66.02 67.45 2dgx s SER 630 CO 0.19 -0.24 1.07 -0.76 0.98 0.00 0.00 173.24 174.48 2dgx s LEU 631 N 0.52 3.11 -0.09 2.42 1.43 -1.26 -0.01 118.68 124.80 2dgx s LEU 631 Ca -0.01 1.68 0.02 0.00 -1.03 0.00 0.00 54.13 54.80 2dgx s LEU 631 Cb -0.05 -4.50 0.01 0.00 0.03 0.00 0.00 46.19 41.68 2dgx s LEU 631 CO -0.02 -1.62 -0.16 0.00 0.23 0.00 0.00 176.35 174.78 2dgx s ALA 632 N -2.99 1.64 -0.59 4.21 0.00 -1.02 -4.72 121.76 118.29 2dgx s ALA 632 Ca 0.59 -0.68 -0.26 0.00 0.00 0.00 0.00 51.96 51.62 2dgx s ALA 632 Cb -0.15 -0.75 -0.10 0.00 0.00 0.00 0.00 23.12 22.13 2dgx s ALA 632 CO 0.55 0.05 2.43 0.25 0.00 0.00 0.00 175.76 179.04 2dgx n THR 633 N 3.96 -0.06 -1.17 0.00 -2.24 -1.26 -4.67 114.28 108.84 2dgx n THR 633 Ca -0.20 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 60.88 2dgx n THR 633 Cb 0.52 -2.49 0.00 0.00 -2.10 0.00 0.00 70.33 66.26 2dgx n THR 633 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dgx n GLY 634 N 6.22 2.89 3.60 3.38 0.00 -1.26 -5.08 105.19 114.94 2dgx n GLY 634 Ca 0.41 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.63 -1.68 4.61 0.00 -1.26 -4.92 120.51 113.62 2dgx n ALA 635 Ca 0.00 -0.31 -0.33 0.00 0.00 0.00 0.00 53.44 52.81 2dgx n ALA 635 Cb 0.00 -2.09 0.05 0.00 0.00 0.00 0.00 19.45 17.41 2dgx n ALA 635 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dgx n SER 636 N -2.11 6.78 0.00 0.00 2.88 -1.26 -5.00 113.62 114.91 2dgx n SER 636 Ca 0.12 -3.78 0.00 0.00 -1.33 0.00 0.00 58.87 53.88 2dgx n SER 636 Cb 0.50 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 2dgx n SER 636 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dgx n GLY 637 N -0.77 0.60 3.56 0.46 0.00 -1.26 -3.72 105.19 104.05 2dgx n GLY 637 Ca 0.55 -0.83 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 2.55 -0.49 1.61 0.04 -1.26 -4.93 135.00 132.52 2dgx s PRO 638 Ca 0.00 -0.37 -0.29 0.00 0.04 0.00 0.00 61.00 60.38 2dgx s PRO 638 Cb 0.00 -5.08 0.02 0.00 0.04 0.00 0.00 34.50 29.48 2dgx s PRO 638 CO 0.00 -3.43 1.26 -1.12 0.04 0.00 0.00 177.00 173.76 2dgx s SER 639 N 7.89 6.45 0.12 6.66 0.01 -1.24 -4.90 113.70 128.68 2dgx s SER 639 Ca 0.70 0.48 -0.17 0.00 1.31 0.00 0.00 55.95 58.27 2dgx s SER 639 Cb -0.06 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 2dgx s SER 639 CO 0.00 -1.41 1.64 -1.28 0.41 0.00 0.00 173.24 172.60 2dgx h SER 640 N 9.97 0.49 0.00 2.44 0.87 -1.93 -3.54 113.55 121.85 2dgx h SER 640 Ca -0.25 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2dgx h SER 640 Cb 1.08 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 2dgx h SER 640 CO 1.13 0.56 0.00 0.61 -0.53 0.00 0.00 176.83 178.60