#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 4.66 -0.12 1.61 0.01 -1.26 -4.85 113.70 113.75 2dgx s SER 547 Ca 0.00 2.55 -0.32 0.00 1.31 0.00 0.00 55.95 59.49 2dgx s SER 547 Cb 0.00 -2.61 -0.10 0.00 0.21 0.00 0.00 66.02 63.52 2dgx s SER 547 CO 0.00 -1.96 2.02 -1.20 0.41 0.00 0.00 173.24 172.51 2dgx n SER 548 N -1.94 3.43 -3.84 2.44 7.64 -1.26 -4.88 113.62 115.22 2dgx n SER 548 Ca 0.15 0.72 -0.42 0.00 1.01 0.00 0.00 58.87 60.33 2dgx n SER 548 Cb 0.49 -1.44 0.01 0.00 -1.01 0.00 0.00 64.21 62.26 2dgx n SER 548 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dgx n GLY 549 N 5.00 5.18 3.08 0.23 0.00 -1.26 -4.61 105.19 112.80 2dgx n GLY 549 Ca 0.26 -2.38 -0.18 0.00 0.00 0.00 0.00 46.02 43.72 2dgx n GLY 549 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dgx n SER 550 N 2.06 -5.34 -4.90 1.61 2.88 -1.26 -5.01 113.62 103.66 2dgx n SER 550 Ca 0.38 -0.40 -0.31 0.00 -1.33 0.00 0.00 58.87 57.21 2dgx n SER 550 Cb 0.32 -3.95 -0.04 0.00 -0.75 0.00 0.00 64.21 59.78 2dgx n SER 550 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dgx s SER 551 N -3.22 6.48 -0.30 -3.46 1.04 -1.26 -5.08 113.70 107.90 2dgx s SER 551 Ca 0.44 0.60 -0.06 0.00 0.48 0.00 0.00 55.95 57.41 2dgx s SER 551 Cb -0.19 -2.10 0.19 0.00 0.10 0.00 0.00 66.02 64.02 2dgx s SER 551 CO 0.54 0.00 0.88 -0.83 0.98 0.00 0.00 173.24 174.81 2dgx s GLY 552 N -2.61 -0.89 -0.21 7.32 0.00 -1.26 -5.10 107.32 104.57 2dgx s GLY 552 Ca 0.42 1.97 0.01 0.00 0.00 0.00 0.00 44.72 47.11 2dgx s GLY 552 CO 0.26 3.85 -0.08 -1.31 0.00 0.00 0.00 173.10 175.82 2dgx s ASN 553 N 2.91 3.57 0.00 1.64 -0.87 -1.26 -4.23 114.94 116.70 2dgx s ASN 553 Ca 0.16 -1.01 0.00 0.00 -1.57 0.00 0.00 52.86 50.44 2dgx s ASN 553 Cb -0.07 -1.18 0.00 0.00 -0.02 0.00 0.00 41.25 39.97 2dgx s ASN 553 CO -0.21 -0.19 0.00 0.61 -2.57 0.00 0.00 177.10 174.74 2dgx n GLY 554 N 4.69 0.94 3.54 0.66 0.00 -1.26 -4.58 105.19 109.19 2dgx n GLY 554 Ca -0.13 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 3.49 -0.29 4.61 0.00 -1.15 -4.35 121.76 124.07 2dgx s ALA 555 Ca 0.00 -1.27 -0.09 0.00 0.00 0.00 0.00 51.96 50.59 2dgx s ALA 555 Cb 0.00 -2.57 -0.02 0.00 0.00 0.00 0.00 23.12 20.52 2dgx s ALA 555 CO 0.00 -0.81 0.14 -0.51 0.00 0.00 0.00 175.76 174.58 2dgx s ASP 556 N 1.73 5.53 -0.43 0.00 1.01 -1.26 -0.74 116.67 122.51 2dgx s ASP 556 Ca 0.06 -0.32 -0.12 0.00 0.71 0.00 0.00 52.55 52.88 2dgx s ASP 556 Cb -0.17 -2.00 0.06 0.00 1.01 0.00 0.00 42.92 41.82 2dgx s ASP 556 CO 0.10 -0.12 0.30 -0.69 0.21 0.00 0.00 175.17 174.97 2dgx s VAL 557 N 1.65 4.75 -0.16 -1.27 1.01 -0.13 -2.14 120.40 124.11 2dgx s VAL 557 Ca 0.06 -1.09 -0.29 0.00 0.00 0.00 0.00 61.98 60.66 2dgx s VAL 557 Cb -0.16 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 2dgx s VAL 557 CO 0.06 -0.45 1.46 -1.10 0.00 0.00 0.00 175.10 175.08 2dgx s GLN 558 N 1.55 4.09 -0.15 2.72 -0.21 0.46 -0.39 119.66 127.73 2dgx s GLN 558 Ca 0.03 1.78 -0.06 0.00 0.02 0.00 0.00 55.36 57.14 2dgx s GLN 558 Cb -0.22 -3.90 -0.04 0.00 1.00 0.00 0.00 33.01 29.85 2dgx s GLN 558 CO 0.05 -0.92 0.05 0.08 -2.12 0.00 0.00 175.29 172.44 2dgx s VAL 559 N 4.13 4.74 0.23 1.09 1.01 0.87 -0.61 120.40 131.86 2dgx s VAL 559 Ca 0.64 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.57 2dgx s VAL 559 Cb -0.25 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 2dgx s VAL 559 CO 0.23 0.53 0.07 -0.94 0.00 0.00 0.00 175.10 174.99 2dgx s SER 560 N -0.19 1.12 -1.21 3.32 1.04 -0.10 -1.94 113.70 115.74 2dgx s SER 560 Ca 0.07 -1.32 -0.05 0.00 0.48 0.00 0.00 55.95 55.13 2dgx s SER 560 Cb -0.12 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.15 2dgx s SER 560 CO 0.01 -0.69 0.80 -3.20 0.98 0.00 0.00 173.24 171.15 2dgx n ASN 561 N -0.38 -3.17 -4.50 7.02 5.15 -1.26 -0.27 115.26 117.84 2dgx n ASN 561 Ca -0.02 -0.81 -0.43 0.00 -0.60 0.00 0.00 54.58 52.73 2dgx n ASN 561 Cb 0.65 -4.32 -0.08 0.00 -0.53 0.00 0.00 39.78 35.50 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 -3.53 5.06 -0.90 -1.44 1.01 -1.22 -3.56 121.20 116.62 2dgx s ILE 562 Ca 0.18 -0.19 -0.18 0.00 0.00 0.00 0.00 60.65 60.46 2dgx s ILE 562 Cb -0.04 -4.02 -0.25 0.00 0.01 0.00 0.00 42.46 38.16 2dgx s ILE 562 CO 0.79 -0.38 2.31 -0.90 0.00 0.00 0.00 174.94 176.76 2dgx n ASP 563 N 5.65 -0.01 -0.21 3.58 5.68 -1.26 -4.66 116.55 125.32 2dgx n ASP 563 Ca -0.07 -0.77 0.21 0.00 -0.50 0.00 0.00 54.79 53.66 2dgx n ASP 563 Cb 0.48 -1.00 0.56 0.00 -1.14 0.00 0.00 41.12 40.02 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 12.20 0.40 -1.16 2.11 -0.00 -1.91 -1.14 116.97 127.47 2dgx h TYR 564 Ca -0.00 0.01 0.42 0.00 -0.00 0.00 0.00 58.73 59.16 2dgx h TYR 564 Cb 1.12 -0.12 -0.15 0.00 -0.00 0.00 0.00 36.73 37.57 2dgx h TYR 564 CO 1.26 0.11 0.70 0.00 -0.00 0.00 0.00 178.16 180.23 2dgx h ARG 565 N 0.31 0.07 -7.04 0.10 3.08 -1.95 -3.39 114.38 105.56 2dgx h ARG 565 Ca 0.44 -0.00 -0.45 0.00 0.07 0.00 0.00 59.98 60.03 2dgx h ARG 565 Cb 1.23 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 2dgx h ARG 565 CO -0.13 0.05 0.36 -0.51 -1.07 0.00 0.00 179.97 178.66 2dgx s LEU 566 N -10.02 3.98 0.99 3.04 1.43 -0.43 -5.04 118.68 112.62 2dgx s LEU 566 Ca -0.08 1.80 -0.12 0.00 -1.03 0.00 0.00 54.13 54.69 2dgx s LEU 566 Cb 0.32 -4.46 0.18 0.00 0.03 0.00 0.00 46.19 42.26 2dgx s LEU 566 CO 0.80 -0.45 1.08 -0.55 0.23 0.00 0.00 176.35 177.47 2dgx s SER 567 N -2.02 2.60 0.12 2.29 0.15 -1.26 -4.83 113.70 110.75 2dgx s SER 567 Ca 0.62 1.42 -0.12 0.00 0.70 0.00 0.00 55.95 58.56 2dgx s SER 567 Cb -0.13 -2.10 -0.08 0.00 -1.71 0.00 0.00 66.02 62.00 2dgx s SER 567 CO 0.17 -3.18 1.42 0.03 1.20 0.00 0.00 173.24 172.88 2dgx h ARG 568 N -1.92 0.85 -0.15 5.44 3.08 -1.96 -1.32 114.38 118.40 2dgx h ARG 568 Ca -0.54 -0.50 -0.06 0.00 0.07 0.00 0.00 59.98 58.95 2dgx h ARG 568 Cb 1.31 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.39 2dgx h ARG 568 CO 0.54 1.14 -0.20 0.87 -1.07 0.00 0.00 179.97 181.25 2dgx h LYS 569 N 0.63 0.25 0.00 0.04 1.79 -1.98 0.14 116.57 117.43 2dgx h LYS 569 Ca 0.03 -0.07 -0.19 0.00 -2.18 0.00 0.00 60.65 58.24 2dgx h LYS 569 Cb 1.05 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.64 2dgx h LYS 569 CO 0.10 0.45 -0.93 1.49 -1.08 0.00 0.00 179.45 179.48 2dgx h GLU 570 N 0.23 0.00 0.16 3.15 4.81 -1.91 -2.39 114.58 118.63 2dgx h GLU 570 Ca 0.04 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.04 2dgx h GLU 570 Cb 0.49 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.90 2dgx h GLU 570 CO 0.03 0.90 -1.01 -0.07 -0.73 0.00 0.00 179.01 178.13 2dgx h LEU 571 N 0.00 0.62 -0.54 1.64 3.38 -0.84 -2.46 115.31 117.11 2dgx h LEU 571 Ca -0.02 -0.91 -0.15 0.00 0.09 0.00 0.00 57.88 56.89 2dgx h LEU 571 Cb 1.71 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.25 2dgx h LEU 571 CO 0.12 1.48 -0.41 0.06 0.09 0.00 0.00 178.44 179.78 2dgx h GLN 572 N -0.14 0.72 -0.22 1.13 -0.00 -0.84 -1.56 115.11 114.20 2dgx h GLN 572 Ca -0.17 -0.38 -0.08 0.00 -0.00 0.00 0.00 58.65 58.02 2dgx h GLN 572 Cb 1.78 0.01 -0.00 0.00 -0.00 0.00 0.00 27.48 29.27 2dgx h GLN 572 CO 0.19 1.00 -0.17 -0.56 -0.00 0.00 0.00 178.83 179.28 2dgx h GLN 573 N 0.59 0.50 0.41 0.06 3.07 -1.53 -2.37 115.11 115.84 2dgx h GLN 573 Ca 0.05 -0.25 -0.02 0.00 0.09 0.00 0.00 58.65 58.52 2dgx h GLN 573 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.52 2dgx h GLN 573 CO 0.09 0.82 -0.20 -0.07 0.09 0.00 0.00 178.83 179.56 2dgx h LEU 574 N 0.19 -0.47 -0.38 0.06 3.38 -1.43 -2.11 115.31 114.54 2dgx h LEU 574 Ca 0.04 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.02 2dgx h LEU 574 Cb 0.71 0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.49 2dgx h LEU 574 CO 0.05 -0.20 -0.19 -0.07 0.09 0.00 0.00 178.44 178.11 2dgx h LEU 575 N -0.73 -0.65 -0.98 1.67 3.38 -1.36 -0.02 115.31 116.62 2dgx h LEU 575 Ca -0.06 0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.17 2dgx h LEU 575 Cb 0.51 0.35 -0.08 0.00 0.09 0.00 0.00 40.66 41.53 2dgx h LEU 575 CO 0.09 -0.22 0.61 -0.61 0.09 0.00 0.00 178.44 178.40 2dgx h GLN 576 N -0.12 0.95 0.14 1.13 4.15 -1.40 -0.09 115.11 119.87 2dgx h GLN 576 Ca 0.19 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.54 2dgx h GLN 576 Cb 0.42 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.89 2dgx h GLN 576 CO -0.46 0.63 -0.07 0.93 -1.93 0.00 0.00 178.83 177.93 2dgx h GLU 577 N 0.98 -0.18 0.94 1.69 4.39 -0.34 -0.25 114.58 121.81 2dgx h GLU 577 Ca 0.48 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 60.14 2dgx h GLU 577 Cb 0.44 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2dgx h GLU 577 CO -0.26 -0.04 -0.47 0.00 -1.16 0.00 0.00 179.01 177.09 2dgx h ALA 578 N 0.56 -1.29 -0.82 3.43 0.00 -0.60 -2.04 119.26 118.49 2dgx h ALA 578 Ca -0.02 -0.28 0.20 0.00 0.00 0.00 0.00 54.91 54.81 2dgx h ALA 578 Cb 0.23 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 2dgx h ALA 578 CO 0.03 -1.23 0.56 0.74 0.00 0.00 0.00 179.25 179.35 2dgx h PHE 579 N -1.28 0.31 -0.57 0.00 0.04 -1.07 0.51 116.94 114.87 2dgx h PHE 579 Ca -0.13 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.57 2dgx h PHE 579 Cb 0.99 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 39.02 2dgx h PHE 579 CO -0.02 0.09 0.05 0.00 -0.60 0.00 0.00 178.31 177.83 2dgx h ALA 580 N 1.62 0.76 -0.63 2.45 0.00 -0.63 -2.01 119.26 120.82 2dgx h ALA 580 Ca 0.41 -0.28 0.17 0.00 0.00 0.00 0.00 54.91 55.22 2dgx h ALA 580 Cb 1.24 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2dgx h ALA 580 CO -0.10 0.55 0.45 0.00 0.00 0.00 0.00 179.25 180.15 2dgx h ARG 581 N 0.86 0.04 0.00 0.00 3.08 -0.18 -3.08 114.38 115.10 2dgx h ARG 581 Ca 0.17 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2dgx h ARG 581 Cb 0.48 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.52 2dgx h ARG 581 CO 0.02 0.03 -0.08 0.45 -1.07 0.00 0.00 179.97 179.32 2dgx h HIS 582 N 0.04 0.00 0.00 3.04 3.86 -1.44 -3.50 115.15 117.15 2dgx h HIS 582 Ca 0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 2dgx h HIS 582 Cb 1.14 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.61 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 1.82 2.44 2.79 2.45 0.00 -0.79 -5.05 105.19 108.85 2dgx n GLY 583 Ca -0.01 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 3.88 0.90 0.46 1.61 2.47 -1.26 -4.56 119.74 123.24 2dgx s LYS 584 Ca 0.00 -0.92 -0.23 0.00 -1.56 0.00 0.00 55.97 53.26 2dgx s LYS 584 Cb 0.00 -2.19 -0.09 0.00 -1.46 0.00 0.00 37.83 34.08 2dgx s LYS 584 CO 0.00 -0.82 1.00 0.28 0.16 0.00 0.00 175.35 175.97 2dgx n VAL 585 N 4.84 2.68 -0.03 4.02 0.31 -1.26 -1.10 118.33 127.79 2dgx n VAL 585 Ca -0.05 -0.50 -0.05 0.00 -0.01 0.00 0.00 64.34 63.73 2dgx n VAL 585 Cb 0.44 -1.17 -0.03 0.00 -0.91 0.00 0.00 33.84 32.17 2dgx n VAL 585 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2dgx n LYS 586 N -0.09 0.16 -3.48 5.55 3.00 0.99 -4.50 118.16 119.79 2dgx n LYS 586 Ca 0.10 0.04 -0.10 0.00 -0.00 0.00 0.00 58.31 58.35 2dgx n LYS 586 Cb 0.41 -1.09 -0.02 0.00 0.00 0.00 0.00 35.03 34.33 2dgx n LYS 586 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2dgx s SER 587 N -4.70 -0.43 -0.17 3.14 0.01 -0.90 -4.96 113.70 105.70 2dgx s SER 587 Ca -0.09 -0.00 -0.04 0.00 1.31 0.00 0.00 55.95 57.14 2dgx s SER 587 Cb 0.02 0.45 0.06 0.00 0.21 0.00 0.00 66.02 66.76 2dgx s SER 587 CO 0.14 -0.73 0.06 -0.69 0.41 0.00 0.00 173.24 172.43 2dgx s VAL 588 N -3.32 0.22 0.01 3.43 1.01 -1.26 0.51 120.40 121.00 2dgx s VAL 588 Ca 0.04 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.76 2dgx s VAL 588 Cb -0.01 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 2dgx s VAL 588 CO -0.10 -0.18 -0.03 -1.61 0.00 0.00 0.00 175.10 173.18 2dgx s GLU 589 N 2.00 2.65 0.12 2.72 0.41 -0.85 -5.01 118.70 120.73 2dgx s GLU 589 Ca 0.01 -0.69 0.09 0.00 -0.41 0.00 0.00 54.97 53.97 2dgx s GLU 589 Cb -0.16 -2.58 -0.04 0.00 -1.78 0.00 0.00 34.13 29.58 2dgx s GLU 589 CO -0.08 0.60 -0.23 -0.51 -0.49 0.00 0.00 175.26 174.55 2dgx s LEU 590 N -1.61 2.31 0.43 1.80 1.43 -1.26 -1.73 118.68 120.04 2dgx s LEU 590 Ca 0.19 -0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 52.45 2dgx s LEU 590 Cb -0.11 -1.03 -0.07 0.00 0.03 0.00 0.00 46.19 45.01 2dgx s LEU 590 CO 0.10 0.11 0.82 -0.44 0.23 0.00 0.00 176.35 177.17 2dgx s SER 591 N -1.99 6.56 0.53 2.29 0.01 -0.50 -4.97 113.70 115.62 2dgx s SER 591 Ca 0.10 1.25 0.32 0.00 1.31 0.00 0.00 55.95 58.92 2dgx s SER 591 Cb -0.10 -2.37 1.32 0.00 0.21 0.00 0.00 66.02 65.08 2dgx s SER 591 CO 0.05 -0.44 1.97 1.55 0.41 0.00 0.00 173.24 176.78 2dgx h PRO 592 N 1.21 0.00 -6.34 12.44 0.13 -1.96 -3.45 132.00 134.04 2dgx h PRO 592 Ca -0.47 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.08 2dgx h PRO 592 Cb 1.19 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.34 2dgx h PRO 592 CO 0.63 0.06 1.13 0.72 -0.23 0.00 0.00 178.00 180.31 2dgx n HIS 593 N -3.19 2.42 -1.41 1.56 8.25 -1.26 -4.87 115.22 116.72 2dgx n HIS 593 Ca 0.00 -0.13 -0.25 0.00 -0.26 0.00 0.00 57.72 57.08 2dgx n HIS 593 Cb 0.32 -2.71 0.12 0.00 1.12 0.00 0.00 29.99 28.84 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 5.14 3.18 -4.14 1.59 5.66 -1.26 -4.49 114.28 119.96 2dgx n THR 594 Ca 0.21 -2.76 -0.11 0.00 -3.05 0.00 0.00 64.05 58.34 2dgx n THR 594 Cb 0.34 -0.79 -0.04 0.00 -1.55 0.00 0.00 70.33 68.28 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 -1.00 -0.44 -0.52 1.09 8.00 -1.26 -5.00 116.55 117.42 2dgx n ASP 595 Ca 0.54 -2.24 0.43 0.00 0.71 0.00 0.00 54.79 54.23 2dgx n ASP 595 Cb 1.08 1.00 0.77 0.00 -0.02 0.00 0.00 41.12 43.94 2dgx n ASP 595 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2dgx h TYR 596 N 1.61 0.09 -0.08 1.24 -0.00 -1.93 0.17 116.97 118.07 2dgx h TYR 596 Ca -0.14 0.00 -0.07 0.00 -0.00 0.00 0.00 58.73 58.53 2dgx h TYR 596 Cb 0.69 -0.02 -0.03 0.00 -0.00 0.00 0.00 36.73 37.37 2dgx h TYR 596 CO 0.00 -0.02 0.02 1.04 -0.00 0.00 0.00 178.16 179.20 2dgx n GLN 597 N -4.15 1.22 -3.15 0.10 6.02 -1.26 -4.69 117.38 111.47 2dgx n GLN 597 Ca 0.36 -0.34 -0.42 0.00 -0.01 0.00 0.00 57.00 56.59 2dgx n GLN 597 Cb 1.61 -1.19 -0.07 0.00 1.02 0.00 0.00 30.24 31.61 2dgx n GLN 597 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 2dgx s LEU 598 N -0.27 4.38 0.49 1.08 2.96 0.59 -4.70 118.68 123.21 2dgx s LEU 598 Ca 0.11 -0.09 0.05 0.00 -0.22 0.00 0.00 54.13 53.98 2dgx s LEU 598 Cb 0.07 -2.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.05 2dgx s LEU 598 CO -0.00 -0.63 0.23 -0.54 -1.32 0.00 0.00 176.35 174.08 2dgx s LYS 599 N 2.65 2.23 0.24 1.98 1.02 -1.26 -3.40 119.74 123.20 2dgx s LYS 599 Ca 0.22 -2.04 -0.21 0.00 0.02 0.00 0.00 55.97 53.96 2dgx s LYS 599 Cb -0.15 -1.93 0.06 0.00 -0.52 0.00 0.00 37.83 35.30 2dgx s LYS 599 CO 0.16 -0.36 0.91 0.00 -0.92 0.00 0.00 175.35 175.14 2dgx s ALA 600 N -2.73 -1.36 -0.20 5.17 0.00 -0.82 -1.41 121.76 120.42 2dgx s ALA 600 Ca 0.30 -0.29 -0.04 0.00 0.00 0.00 0.00 51.96 51.93 2dgx s ALA 600 Cb 0.01 0.71 0.09 0.00 0.00 0.00 0.00 23.12 23.93 2dgx s ALA 600 CO 0.18 -1.04 0.18 0.08 0.00 0.00 0.00 175.76 175.16 2dgx s VAL 601 N -2.80 -0.25 -0.37 0.00 1.01 -0.71 -0.09 120.40 117.19 2dgx s VAL 601 Ca 0.16 -0.16 -0.20 0.00 0.00 0.00 0.00 61.98 61.78 2dgx s VAL 601 Cb -0.03 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.69 2dgx s VAL 601 CO 0.06 -0.25 0.63 -0.69 0.00 0.00 0.00 175.10 174.85 2dgx s VAL 602 N 2.27 4.89 0.19 2.92 1.01 0.47 -2.00 120.40 130.15 2dgx s VAL 602 Ca 0.06 0.51 -0.26 0.00 0.00 0.00 0.00 61.98 62.29 2dgx s VAL 602 Cb -0.16 -4.08 -0.08 0.00 0.00 0.00 0.00 36.38 32.05 2dgx s VAL 602 CO -0.12 -0.34 0.81 -1.58 0.00 0.00 0.00 175.10 173.87 2dgx s GLN 603 N 2.70 4.60 0.02 2.72 0.74 0.18 -0.95 119.66 129.68 2dgx s GLN 603 Ca 0.24 1.21 0.08 0.00 0.05 0.00 0.00 55.36 56.94 2dgx s GLN 603 Cb -0.14 -3.21 -0.02 0.00 1.10 0.00 0.00 33.01 30.73 2dgx s GLN 603 CO 0.15 0.53 -0.23 -1.64 -0.55 0.00 0.00 175.29 173.55 2dgx s MET 604 N -1.27 1.67 0.07 1.67 -1.94 0.08 -0.00 119.30 119.58 2dgx s MET 604 Ca 0.38 -0.95 -0.23 0.00 -1.71 0.00 0.00 55.69 53.18 2dgx s MET 604 Cb -0.23 -1.74 -0.09 0.00 2.01 0.00 0.00 34.83 34.77 2dgx s MET 604 CO 0.27 0.46 1.37 0.93 -0.01 0.00 0.00 175.02 178.04 2dgx h GLU 605 N 5.10 -0.45 -6.15 2.03 4.39 -1.34 -3.05 114.58 115.11 2dgx h GLU 605 Ca -0.43 0.03 -0.52 0.00 0.34 0.00 0.00 59.36 58.78 2dgx h GLU 605 Cb 1.14 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.88 2dgx h GLU 605 CO 0.45 -0.30 -0.41 1.21 -1.16 0.00 0.00 179.01 178.80 2dgx s ASN 606 N -4.01 6.34 -0.00 1.42 2.47 -1.26 -4.14 114.94 115.76 2dgx s ASN 606 Ca -0.11 0.21 -0.19 0.00 0.42 0.00 0.00 52.86 53.19 2dgx s ASN 606 Cb 0.04 -1.93 -0.11 0.00 -1.45 0.00 0.00 41.25 37.81 2dgx s ASN 606 CO 0.41 -0.02 0.89 0.25 -3.72 0.00 0.00 177.10 174.91 2dgx h LEU 607 N 1.80 -0.58 -0.70 3.21 7.12 -1.83 -3.27 115.31 121.06 2dgx h LEU 607 Ca -0.49 0.02 0.10 0.00 0.13 0.00 0.00 57.88 57.64 2dgx h LEU 607 Cb 1.20 0.15 -0.12 0.00 -0.53 0.00 0.00 40.66 41.37 2dgx h LEU 607 CO 0.66 -0.25 -0.45 -0.61 -0.13 0.00 0.00 178.44 177.67 2dgx h GLN 608 N -1.02 -0.16 -1.11 1.25 4.15 -1.96 0.41 115.11 116.68 2dgx h GLN 608 Ca -0.07 0.01 0.42 0.00 0.77 0.00 0.00 58.65 59.78 2dgx h GLN 608 Cb 0.53 0.04 -0.15 0.00 0.21 0.00 0.00 27.48 28.10 2dgx h GLN 608 CO 0.12 -0.10 0.66 -0.25 -1.93 0.00 0.00 178.83 177.32 2dgx n ASP 609 N -5.40 0.26 -0.03 -0.69 8.00 -1.25 0.16 116.55 117.60 2dgx n ASP 609 Ca 0.03 1.42 -0.16 0.00 0.71 0.00 0.00 54.79 56.79 2dgx n ASP 609 Cb 0.35 -0.69 -0.09 0.00 -0.02 0.00 0.00 41.12 40.67 2dgx n ASP 609 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dgx h ALA 610 N 1.67 0.19 -0.42 2.24 0.00 -0.24 -2.59 119.26 120.11 2dgx h ALA 610 Ca 0.81 -0.49 0.04 0.00 0.00 0.00 0.00 54.91 55.27 2dgx h ALA 610 Cb 2.37 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 20.08 2dgx h ALA 610 CO -0.58 0.34 -0.38 0.82 0.00 0.00 0.00 179.25 179.45 2dgx h ILE 611 N 0.07 0.00 -0.68 0.00 2.04 0.19 0.10 117.51 119.23 2dgx h ILE 611 Ca -0.03 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 2dgx h ILE 611 Cb 1.10 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 2dgx h ILE 611 CO 0.10 0.00 0.20 1.23 0.00 0.00 0.00 178.15 179.68 2dgx h GLY 612 N -0.17 1.15 0.66 5.37 0.00 -1.63 -2.53 103.07 105.92 2dgx h GLY 612 Ca 0.07 -0.69 0.18 0.00 0.00 0.00 0.00 47.33 46.89 2dgx h GLY 612 CO -0.49 0.65 0.49 0.00 0.00 0.00 0.00 176.54 177.19 2dgx h ALA 613 N 1.09 2.44 0.13 3.60 0.00 -0.84 0.12 119.26 125.80 2dgx h ALA 613 Ca 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2dgx h ALA 613 Cb 0.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2dgx h ALA 613 CO -0.00 -0.64 -0.06 0.28 0.00 0.00 0.00 179.25 178.82 2dgx h VAL 614 N 0.15 0.00 0.00 0.00 2.07 -0.42 0.42 116.25 118.47 2dgx h VAL 614 Ca 0.34 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2dgx h VAL 614 Cb 1.13 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2dgx h VAL 614 CO -0.05 0.00 0.09 0.59 0.02 0.00 0.00 177.57 178.22 2dgx n ASN 615 N -3.86 0.26 -0.08 0.57 3.02 -1.09 0.13 115.26 114.20 2dgx n ASN 615 Ca -0.02 0.57 -0.07 0.00 -0.03 0.00 0.00 54.58 55.03 2dgx n ASN 615 Cb 0.07 -0.59 -0.02 0.00 -0.61 0.00 0.00 39.78 38.63 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 -1.84 1.88 0.10 6.41 7.64 0.41 -4.35 113.62 123.86 2dgx n SER 616 Ca -0.01 0.47 0.09 0.00 1.01 0.00 0.00 58.87 60.44 2dgx n SER 616 Cb 0.10 -0.80 0.42 0.00 -1.01 0.00 0.00 64.21 62.93 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 -4.53 0.44 -4.67 -3.43 4.77 0.14 -4.79 117.00 104.92 2dgx n LEU 617 Ca -0.11 0.64 -0.60 0.00 -0.03 0.00 0.00 56.01 55.90 2dgx n LEU 617 Cb 0.41 -0.61 -0.08 0.00 -2.33 0.00 0.00 43.42 40.81 2dgx n LEU 617 CO 0.16 -0.58 1.07 1.57 -1.33 0.00 0.00 177.39 178.28 2dgx n HIS 618 N -2.01 1.62 -3.19 -1.77 -0.00 0.12 0.56 115.22 110.55 2dgx n HIS 618 Ca 0.01 0.85 -0.21 0.00 0.46 0.00 0.00 57.72 58.84 2dgx n HIS 618 Cb 0.15 -2.30 0.05 0.00 -0.12 0.00 0.00 29.99 27.77 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 3.78 -5.68 -2.16 1.57 5.12 0.11 -4.91 116.66 114.49 2dgx n ARG 619 Ca 0.26 0.79 -0.43 0.00 -1.93 0.00 0.00 57.85 56.53 2dgx n ARG 619 Cb 0.07 -5.51 -0.02 0.00 -1.16 0.00 0.00 32.46 25.83 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 -3.20 2.13 -0.86 -1.55 5.04 0.19 -4.70 117.35 114.41 2dgx s TYR 620 Ca 0.39 0.63 -0.20 0.00 -2.44 0.00 0.00 57.07 55.44 2dgx s TYR 620 Cb -0.17 -4.10 -0.22 0.00 0.35 0.00 0.00 41.96 37.82 2dgx s TYR 620 CO 0.48 -2.61 2.35 1.17 -1.34 0.00 0.00 175.55 175.60 2dgx n LYS 621 N 7.97 0.34 -4.42 4.97 3.00 -1.26 -3.26 118.16 125.49 2dgx n LYS 621 Ca 0.19 -0.33 -0.26 0.00 -0.00 0.00 0.00 58.31 57.90 2dgx n LYS 621 Cb 0.46 -2.38 -0.12 0.00 0.00 0.00 0.00 35.03 32.99 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 8.20 2.33 0.00 3.15 1.01 -1.22 -5.03 121.20 129.65 2dgx s ILE 622 Ca 1.14 -2.05 0.00 0.00 0.00 0.00 0.00 60.65 59.73 2dgx s ILE 622 Cb -0.54 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 39.81 2dgx s ILE 622 CO 0.34 -0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.74 2dgx n GLY 623 N 0.21 1.65 0.07 6.18 0.00 -1.26 -1.28 105.19 110.75 2dgx n GLY 623 Ca -0.12 0.40 0.03 0.00 0.00 0.00 0.00 46.02 46.33 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 2.56 1.69 -3.81 1.61 2.88 -1.26 -5.03 113.62 112.26 2dgx n SER 624 Ca 0.00 -2.24 -0.12 0.00 -1.33 0.00 0.00 58.87 55.18 2dgx n SER 624 Cb 0.00 -0.16 -0.11 0.00 -0.75 0.00 0.00 64.21 63.19 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 -1.41 0.37 -0.46 -1.46 1.02 -0.41 -5.00 119.74 112.39 2dgx s LYS 625 Ca 0.11 0.07 -0.29 0.00 0.02 0.00 0.00 55.97 55.88 2dgx s LYS 625 Cb 0.09 0.17 0.02 0.00 -0.52 0.00 0.00 37.83 37.59 2dgx s LYS 625 CO 0.01 -0.07 1.34 0.15 -0.92 0.00 0.00 175.35 175.85 2dgx s LYS 626 N -0.44 3.57 0.29 1.68 3.01 -1.26 -3.41 119.74 123.18 2dgx s LYS 626 Ca -0.05 0.75 -0.29 0.00 -1.01 0.00 0.00 55.97 55.36 2dgx s LYS 626 Cb -0.04 -4.01 -0.10 0.00 -1.01 0.00 0.00 37.83 32.67 2dgx s LYS 626 CO 0.01 -1.58 1.37 0.96 0.51 0.00 0.00 175.35 176.62 2dgx s ILE 627 N 5.27 2.70 -0.36 2.17 -4.36 -1.20 -4.75 121.20 120.66 2dgx s ILE 627 Ca 0.56 0.64 -0.07 0.00 -0.26 0.00 0.00 60.65 61.53 2dgx s ILE 627 Cb -0.11 -3.41 0.05 0.00 1.25 0.00 0.00 42.46 40.24 2dgx s ILE 627 CO 0.31 0.13 0.14 -0.76 0.24 0.00 0.00 174.94 175.00 2dgx s LEU 628 N -1.13 4.54 0.27 0.37 1.43 0.63 0.06 118.68 124.85 2dgx s LEU 628 Ca 0.54 -1.26 -0.16 0.00 -1.03 0.00 0.00 54.13 52.21 2dgx s LEU 628 Cb -0.41 -1.89 -0.08 0.00 0.03 0.00 0.00 46.19 43.84 2dgx s LEU 628 CO 0.49 -0.38 0.71 -0.69 0.23 0.00 0.00 176.35 176.70 2dgx s VAL 629 N 1.39 4.67 -0.18 -1.59 1.01 -1.26 -0.92 120.40 123.51 2dgx s VAL 629 Ca -0.00 1.02 -0.25 0.00 0.00 0.00 0.00 61.98 62.75 2dgx s VAL 629 Cb -0.20 -3.70 0.06 0.00 0.00 0.00 0.00 36.38 32.54 2dgx s VAL 629 CO 0.02 -0.02 0.65 -0.94 0.00 0.00 0.00 175.10 174.81 2dgx s SER 630 N -2.04 -0.66 0.74 3.32 1.04 0.22 -4.85 113.70 111.47 2dgx s SER 630 Ca 0.49 1.11 -0.12 0.00 0.48 0.00 0.00 55.95 57.91 2dgx s SER 630 Cb -0.13 1.08 0.03 0.00 0.10 0.00 0.00 66.02 67.11 2dgx s SER 630 CO 0.19 -0.34 1.12 -0.76 0.98 0.00 0.00 173.24 174.43 2dgx s LEU 631 N -0.14 2.79 0.00 2.42 1.43 -1.26 0.17 118.68 124.09 2dgx s LEU 631 Ca -0.04 1.05 0.05 0.00 -1.03 0.00 0.00 54.13 54.16 2dgx s LEU 631 Cb -0.03 -3.76 -0.02 0.00 0.03 0.00 0.00 46.19 42.40 2dgx s LEU 631 CO 0.04 -1.51 0.17 0.00 0.23 0.00 0.00 176.35 175.28 2dgx n ALA 632 N -3.10 0.51 -1.76 4.21 0.00 -0.91 -4.60 120.51 114.85 2dgx n ALA 632 Ca 0.07 -1.55 -0.39 0.00 0.00 0.00 0.00 53.44 51.57 2dgx n ALA 632 Cb 0.58 1.16 -0.05 0.00 0.00 0.00 0.00 19.45 21.14 2dgx n ALA 632 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2dgx s THR 633 N -2.91 3.72 0.91 0.00 -4.23 -1.26 -4.81 115.64 107.06 2dgx s THR 633 Ca 0.24 1.64 -0.14 0.00 -1.18 0.00 0.00 61.69 62.25 2dgx s THR 633 Cb 0.01 -4.01 0.16 0.00 1.34 0.00 0.00 72.50 70.01 2dgx s THR 633 CO 0.17 0.32 1.27 -0.83 -0.54 0.00 0.00 174.62 175.01 2dgx s GLY 634 N -1.12 1.73 -0.17 3.99 0.00 -1.26 -4.75 107.32 105.74 2dgx s GLY 634 Ca 0.46 -1.07 -0.24 0.00 0.00 0.00 0.00 44.72 43.87 2dgx s GLY 634 CO 0.35 -0.39 0.77 0.00 0.00 0.00 0.00 173.10 173.84 2dgx s ALA 635 N -3.78 3.51 -1.82 3.20 0.00 -1.26 -3.75 121.76 117.87 2dgx s ALA 635 Ca 0.70 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.62 2dgx s ALA 635 Cb -0.06 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.92 2dgx s ALA 635 CO 0.52 -0.59 0.00 0.43 0.00 0.00 0.00 175.76 176.11 2dgx n SER 636 N 5.10 -5.27 -4.86 0.00 7.64 -1.26 -4.95 113.62 110.03 2dgx n SER 636 Ca 0.03 0.24 -0.32 0.00 1.01 0.00 0.00 58.87 59.83 2dgx n SER 636 Cb 0.49 -4.54 -0.05 0.00 -1.01 0.00 0.00 64.21 59.11 2dgx n SER 636 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dgx s GLY 637 N -2.32 2.14 1.07 0.23 0.00 -1.25 -5.07 107.32 102.13 2dgx s GLY 637 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 44.72 44.58 2dgx s GLY 637 CO 0.00 0.22 1.10 2.56 0.00 0.00 0.00 173.10 176.98 2dgx s PRO 638 N -3.52 -0.13 0.15 2.90 0.04 -1.26 -4.95 135.00 128.23 2dgx s PRO 638 Ca 0.55 0.32 -0.19 0.00 0.04 0.00 0.00 61.00 61.72 2dgx s PRO 638 Cb -0.10 -1.69 0.04 0.00 0.04 0.00 0.00 34.50 32.79 2dgx s PRO 638 CO 0.25 -3.07 1.67 1.03 0.04 0.00 0.00 177.00 176.92 2dgx h SER 639 N -2.13 -0.41 -2.32 6.66 0.87 -2.03 -3.43 113.55 110.77 2dgx h SER 639 Ca -0.52 0.11 -0.44 0.00 -1.23 0.00 0.00 61.79 59.70 2dgx h SER 639 Cb 1.32 0.24 0.04 0.00 -0.44 0.00 0.00 62.40 63.55 2dgx h SER 639 CO 0.51 -0.15 -0.10 -0.55 -0.53 0.00 0.00 176.83 176.01 2dgx s SER 640 N -5.16 5.48 0.00 6.23 0.15 -1.26 -5.15 113.70 113.99 2dgx s SER 640 Ca -0.14 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.47 2dgx s SER 640 Cb 0.13 -0.97 0.00 0.00 -1.71 0.00 0.00 66.02 63.46 2dgx s SER 640 CO 0.69 -0.95 0.46 0.61 1.20 0.00 0.00 173.24 175.25