#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 6.03 -1.07 1.61 0.01 -1.26 -5.02 113.70 114.01 2dgx s SER 547 Ca 0.00 0.28 -0.23 0.00 1.31 0.00 0.00 55.95 57.31 2dgx s SER 547 Cb 0.00 -1.98 -0.03 0.00 0.21 0.00 0.00 66.02 64.22 2dgx s SER 547 CO 0.00 0.29 1.84 -0.55 0.41 0.00 0.00 173.24 175.23 2dgx s SER 548 N -0.30 5.53 0.00 2.44 0.15 -1.26 -4.72 113.70 115.54 2dgx s SER 548 Ca 0.10 -1.36 0.00 0.00 0.70 0.00 0.00 55.95 55.39 2dgx s SER 548 Cb -0.12 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 2dgx s SER 548 CO 0.01 -2.47 0.00 0.61 1.20 0.00 0.00 173.24 172.59 2dgx n GLY 549 N 6.31 0.53 3.53 9.45 0.00 -1.26 -5.02 105.19 118.73 2dgx n GLY 549 Ca 0.42 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 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 0.26 6.29 0.91 1.61 0.15 -1.26 -5.05 113.70 116.61 2dgx s SER 550 Ca 0.00 -0.29 -0.10 0.00 0.70 0.00 0.00 55.95 56.25 2dgx s SER 550 Cb 0.00 -2.28 0.14 0.00 -1.71 0.00 0.00 66.02 62.18 2dgx s SER 550 CO 0.00 -0.62 1.13 -0.55 1.20 0.00 0.00 173.24 174.41 2dgx s SER 551 N 1.86 3.00 0.19 5.45 0.15 -1.26 -4.74 113.70 118.36 2dgx s SER 551 Ca 0.19 2.10 0.00 0.00 0.70 0.00 0.00 55.95 58.94 2dgx s SER 551 Cb -0.15 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2dgx s SER 551 CO 0.16 -3.04 0.00 0.61 1.20 0.00 0.00 173.24 172.17 2dgx n GLY 552 N 0.05 -4.90 2.14 9.45 0.00 -1.26 -4.95 105.19 105.72 2dgx n GLY 552 Ca 0.11 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 2dgx n GLY 552 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2dgx n ASN 553 N 1.17 3.96 0.00 1.61 2.85 -1.26 -5.09 115.26 118.50 2dgx n ASN 553 Ca 0.00 -3.33 0.00 0.00 -0.11 0.00 0.00 54.58 51.14 2dgx n ASN 553 Cb 0.00 -0.38 0.00 0.00 1.24 0.00 0.00 39.78 40.64 2dgx n ASN 553 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2dgx n GLY 554 N -0.69 0.34 3.11 8.20 0.00 -1.26 -4.77 105.19 110.12 2dgx n GLY 554 Ca 0.34 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.82 -0.38 4.61 0.00 -0.88 -4.45 121.76 117.84 2dgx s ALA 555 Ca 0.00 1.16 -0.18 0.00 0.00 0.00 0.00 51.96 52.93 2dgx s ALA 555 Cb 0.00 -1.17 0.01 0.00 0.00 0.00 0.00 23.12 21.95 2dgx s ALA 555 CO 0.00 -0.72 0.51 -0.51 0.00 0.00 0.00 175.76 175.04 2dgx s ASP 556 N 2.50 6.28 -0.46 0.00 1.01 -1.26 -0.13 116.67 124.61 2dgx s ASP 556 Ca 0.01 -0.25 -0.16 0.00 0.71 0.00 0.00 52.55 52.85 2dgx s ASP 556 Cb -0.12 -2.26 0.05 0.00 1.01 0.00 0.00 42.92 41.60 2dgx s ASP 556 CO -0.11 -0.55 0.43 -0.69 0.21 0.00 0.00 175.17 174.46 2dgx s VAL 557 N 2.40 5.15 -0.16 -1.27 1.01 -0.32 -2.70 120.40 124.51 2dgx s VAL 557 Ca 0.18 -0.79 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 2dgx s VAL 557 Cb -0.16 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.09 2dgx s VAL 557 CO 0.14 -0.56 1.40 -1.10 0.00 0.00 0.00 175.10 174.98 2dgx s GLN 558 N 1.90 4.14 -0.12 2.72 -0.21 0.25 -0.72 119.66 127.62 2dgx s GLN 558 Ca 0.07 1.73 -0.06 0.00 0.02 0.00 0.00 55.36 57.13 2dgx s GLN 558 Cb -0.21 -3.86 -0.04 0.00 1.00 0.00 0.00 33.01 29.90 2dgx s GLN 558 CO 0.09 -0.85 0.09 0.08 -2.12 0.00 0.00 175.29 172.58 2dgx s VAL 559 N 3.91 5.08 0.17 1.09 1.01 0.87 -0.95 120.40 131.59 2dgx s VAL 559 Ca 0.61 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 62.63 2dgx s VAL 559 Cb -0.24 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2dgx s VAL 559 CO 0.21 0.59 0.09 -0.94 0.00 0.00 0.00 175.10 175.05 2dgx s SER 560 N -0.80 0.28 -1.26 3.32 1.04 -0.26 -1.80 113.70 114.22 2dgx s SER 560 Ca 0.13 -1.30 -0.03 0.00 0.48 0.00 0.00 55.95 55.22 2dgx s SER 560 Cb -0.12 0.33 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 2dgx s SER 560 CO 0.03 -0.78 0.74 -3.20 0.98 0.00 0.00 173.24 171.01 2dgx n ASN 561 N -0.20 -2.24 -4.60 7.02 5.15 -1.26 -0.21 115.26 118.92 2dgx n ASN 561 Ca -0.02 -0.83 -0.39 0.00 -0.60 0.00 0.00 54.58 52.75 2dgx n ASN 561 Cb 0.65 -4.13 -0.10 0.00 -0.53 0.00 0.00 39.78 35.67 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 -3.61 5.23 -0.87 -1.44 1.01 -1.24 -3.65 121.20 116.63 2dgx s ILE 562 Ca 0.11 0.40 -0.19 0.00 0.00 0.00 0.00 60.65 60.96 2dgx s ILE 562 Cb -0.03 -3.63 -0.22 0.00 0.01 0.00 0.00 42.46 38.59 2dgx s ILE 562 CO 0.81 0.19 2.31 -0.90 0.00 0.00 0.00 174.94 177.35 2dgx n ASP 563 N 5.22 0.42 0.02 3.58 5.68 -1.26 -4.71 116.55 125.50 2dgx n ASP 563 Ca -0.11 -1.03 0.17 0.00 -0.50 0.00 0.00 54.79 53.33 2dgx n ASP 563 Cb 0.51 -1.17 0.65 0.00 -1.14 0.00 0.00 41.12 39.97 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 0.09 -0.99 2.11 -0.00 -1.92 -2.20 116.97 126.26 2dgx h TYR 564 Ca 0.01 0.00 0.38 0.00 -0.00 0.00 0.00 58.73 59.12 2dgx h TYR 564 Cb 1.07 -0.03 -0.18 0.00 -0.00 0.00 0.00 36.73 37.59 2dgx h TYR 564 CO 1.25 0.04 0.42 0.54 -0.00 0.00 0.00 178.16 180.40 2dgx n ARG 565 N -4.42 -0.06 -1.78 0.10 1.74 -1.26 -4.40 116.66 106.58 2dgx n ARG 565 Ca 0.08 1.39 -0.32 0.00 -0.77 0.00 0.00 57.85 58.23 2dgx n ARG 565 Cb 0.49 -2.43 0.04 0.00 -1.02 0.00 0.00 32.46 29.54 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 -10.58 3.36 0.26 0.55 1.43 -0.83 -5.00 118.68 107.87 2dgx s LEU 566 Ca -0.10 1.87 -0.29 0.00 -1.03 0.00 0.00 54.13 54.58 2dgx s LEU 566 Cb 0.33 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.92 2dgx s LEU 566 CO 0.77 -1.50 1.13 -0.44 0.23 0.00 0.00 176.35 176.55 2dgx s SER 567 N -2.88 7.20 0.19 2.29 0.01 -1.26 -4.82 113.70 114.42 2dgx s SER 567 Ca 0.64 2.29 -0.21 0.00 1.31 0.00 0.00 55.95 59.98 2dgx s SER 567 Cb -0.18 -2.62 0.12 0.00 0.21 0.00 0.00 66.02 63.55 2dgx s SER 567 CO 0.43 -0.22 1.57 0.03 0.41 0.00 0.00 173.24 175.47 2dgx h ARG 568 N 4.06 -0.13 -0.48 12.44 3.08 -1.94 1.03 114.38 132.43 2dgx h ARG 568 Ca -0.46 0.01 0.14 0.00 0.07 0.00 0.00 59.98 59.73 2dgx h ARG 568 Cb 1.21 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.27 2dgx h ARG 568 CO 0.68 -0.09 0.37 0.87 -1.07 0.00 0.00 179.97 180.74 2dgx h LYS 569 N -0.14 0.00 0.00 0.04 1.57 -2.00 0.38 116.57 116.42 2dgx h LYS 569 Ca 0.24 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 2dgx h LYS 569 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 2dgx h LYS 569 CO -0.76 0.00 -0.68 1.49 -0.57 0.00 0.00 179.45 178.93 2dgx h GLU 570 N 0.00 0.00 0.14 3.15 4.81 0.49 -3.08 114.58 120.09 2dgx h GLU 570 Ca 0.23 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.23 2dgx h GLU 570 Cb 0.98 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.37 2dgx h GLU 570 CO -0.00 0.03 -1.10 -0.07 -0.73 0.00 0.00 179.01 177.14 2dgx h LEU 571 N 0.00 0.46 -0.77 1.64 3.38 0.37 -2.85 115.31 117.53 2dgx h LEU 571 Ca -0.01 -0.91 -0.12 0.00 0.09 0.00 0.00 57.88 56.93 2dgx h LEU 571 Cb 1.04 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 2dgx h LEU 571 CO 0.00 1.50 -0.34 0.06 0.09 0.00 0.00 178.44 179.76 2dgx h GLN 572 N -0.31 0.54 -0.28 1.13 3.07 -1.07 -1.91 115.11 116.28 2dgx h GLN 572 Ca -0.21 -0.24 -0.13 0.00 0.09 0.00 0.00 58.65 58.15 2dgx h GLN 572 Cb 1.72 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 29.27 2dgx h GLN 572 CO 0.12 0.81 -0.33 -0.56 0.09 0.00 0.00 178.83 178.96 2dgx h GLN 573 N 0.46 0.71 0.63 0.06 3.07 -1.66 -2.72 115.11 115.67 2dgx h GLN 573 Ca 0.05 -0.40 -0.03 0.00 0.09 0.00 0.00 58.65 58.36 2dgx h GLN 573 Cb 0.81 0.02 0.01 0.00 0.08 0.00 0.00 27.48 28.40 2dgx h GLN 573 CO 0.07 1.01 -0.30 -0.07 0.09 0.00 0.00 178.83 179.63 2dgx h LEU 574 N 0.45 -0.72 -0.77 0.06 3.38 -1.43 -2.73 115.31 113.55 2dgx h LEU 574 Ca 0.04 -0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.17 2dgx h LEU 574 Cb 0.91 0.19 -0.12 0.00 0.09 0.00 0.00 40.66 41.72 2dgx h LEU 574 CO 0.08 -0.38 0.13 -0.07 0.09 0.00 0.00 178.44 178.29 2dgx h LEU 575 N -1.08 -0.12 -0.89 1.67 3.38 -1.44 0.24 115.31 117.07 2dgx h LEU 575 Ca -0.09 0.18 0.09 0.00 0.09 0.00 0.00 57.88 58.15 2dgx h LEU 575 Cb 0.70 0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 2dgx h LEU 575 CO 0.14 -0.11 0.54 -0.61 0.09 0.00 0.00 178.44 178.49 2dgx h GLN 576 N 0.20 0.90 0.21 1.13 4.15 -1.43 -1.21 115.11 119.05 2dgx h GLN 576 Ca 0.45 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.81 2dgx h GLN 576 Cb 0.81 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 2dgx h GLN 576 CO -0.60 0.60 -0.16 0.93 -1.93 0.00 0.00 178.83 177.67 2dgx h GLU 577 N 0.93 -0.36 0.70 1.69 5.08 -0.21 0.30 114.58 122.71 2dgx h GLU 577 Ca 0.42 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.77 2dgx h GLU 577 Cb 0.32 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2dgx h GLU 577 CO -0.22 -0.24 -0.48 0.00 -1.00 0.00 0.00 179.01 177.07 2dgx h ALA 578 N 0.39 -1.18 -0.27 3.43 0.00 -0.98 -1.75 119.26 118.89 2dgx h ALA 578 Ca -0.01 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.75 2dgx h ALA 578 Cb 0.33 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2dgx h ALA 578 CO -0.00 -1.19 0.21 0.74 0.00 0.00 0.00 179.25 179.01 2dgx h PHE 579 N -1.12 0.00 -0.54 0.00 0.04 -1.22 -0.85 116.94 113.26 2dgx h PHE 579 Ca -0.09 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.58 2dgx h PHE 579 Cb 0.92 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.05 2dgx h PHE 579 CO -0.14 0.00 -0.07 0.00 -0.60 0.00 0.00 178.31 177.50 2dgx h ALA 580 N 1.83 0.86 -0.24 2.45 0.00 0.25 -2.45 119.26 121.97 2dgx h ALA 580 Ca 0.13 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.78 2dgx h ALA 580 Cb 0.55 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2dgx h ALA 580 CO -0.00 0.65 0.20 0.00 0.00 0.00 0.00 179.25 180.11 2dgx h ARG 581 N 0.88 0.00 0.00 0.00 3.08 -0.30 -3.14 114.38 114.90 2dgx h ARG 581 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2dgx h ARG 581 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 2dgx h ARG 581 CO 0.04 0.00 -0.05 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 -1.50 -3.50 115.15 117.05 2dgx h HIS 582 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 2dgx h HIS 582 Cb 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 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 1.85 3.33 2.94 2.45 0.00 -0.96 -5.08 105.19 109.73 2dgx n GLY 583 Ca -0.01 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 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 0.04 1.61 2.47 -1.26 -4.58 119.74 123.25 2dgx s LYS 584 Ca 0.00 -1.11 -0.30 0.00 -1.56 0.00 0.00 55.97 52.99 2dgx s LYS 584 Cb 0.00 -2.63 -0.08 0.00 -1.46 0.00 0.00 37.83 33.67 2dgx s LYS 584 CO 0.00 -0.66 1.69 0.08 0.16 0.00 0.00 175.35 176.62 2dgx s VAL 585 N 1.34 3.17 -0.14 4.02 1.01 -1.26 -1.84 120.40 126.69 2dgx s VAL 585 Ca -0.03 0.48 -0.19 0.00 0.00 0.00 0.00 61.98 62.24 2dgx s VAL 585 Cb -0.19 -3.31 -0.17 0.00 0.00 0.00 0.00 36.38 32.71 2dgx s VAL 585 CO -0.08 -0.02 0.40 0.50 0.00 0.00 0.00 175.10 175.91 2dgx h LYS 586 N 8.88 0.00 -3.08 2.72 1.63 -0.13 -3.45 116.57 123.14 2dgx h LYS 586 Ca -0.43 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.40 2dgx h LYS 586 Cb 1.20 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.75 2dgx h LYS 586 CO 0.94 0.68 0.17 -1.12 -3.45 0.00 0.00 179.45 176.67 2dgx s SER 587 N -6.15 -0.33 -0.07 4.20 0.01 -0.72 -4.97 113.70 105.68 2dgx s SER 587 Ca -0.16 -0.45 -0.02 0.00 1.31 0.00 0.00 55.95 56.63 2dgx s SER 587 Cb -0.00 0.66 0.03 0.00 0.21 0.00 0.00 66.02 66.93 2dgx s SER 587 CO 0.47 -1.19 0.04 -0.69 0.41 0.00 0.00 173.24 172.28 2dgx s VAL 588 N -3.87 0.10 -0.07 3.43 1.01 -1.26 0.40 120.40 120.13 2dgx s VAL 588 Ca 0.09 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.31 2dgx s VAL 588 Cb -0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 2dgx s VAL 588 CO 0.00 0.16 -0.10 -1.61 0.00 0.00 0.00 175.10 173.55 2dgx s GLU 589 N 2.08 2.78 -0.04 2.72 2.02 -0.40 -4.99 118.70 122.87 2dgx s GLU 589 Ca 0.04 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.44 2dgx s GLU 589 Cb -0.13 -2.53 -0.03 0.00 0.10 0.00 0.00 34.13 31.54 2dgx s GLU 589 CO -0.05 0.57 -0.10 -0.51 0.02 0.00 0.00 175.26 175.20 2dgx s LEU 590 N -0.58 3.01 0.60 1.80 1.43 -1.26 -0.83 118.68 122.85 2dgx s LEU 590 Ca 0.08 -0.13 -0.15 0.00 -1.03 0.00 0.00 54.13 52.91 2dgx s LEU 590 Cb -0.12 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 2dgx s LEU 590 CO 0.02 0.33 1.06 -0.44 0.23 0.00 0.00 176.35 177.55 2dgx s SER 591 N -0.97 5.75 0.34 2.29 0.01 0.17 -4.96 113.70 116.33 2dgx s SER 591 Ca 0.13 1.79 0.14 0.00 1.31 0.00 0.00 55.95 59.32 2dgx s SER 591 Cb -0.11 -2.53 0.62 0.00 0.21 0.00 0.00 66.02 64.21 2dgx s SER 591 CO 0.03 -1.19 1.75 1.55 0.41 0.00 0.00 173.24 175.78 2dgx h PRO 592 N 0.32 0.00 -6.33 12.44 0.13 -1.96 -3.45 132.00 133.15 2dgx h PRO 592 Ca -0.46 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.01 2dgx h PRO 592 Cb 1.22 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.40 2dgx h PRO 592 CO 0.57 0.45 0.58 0.72 -0.23 0.00 0.00 178.00 180.09 2dgx n HIS 593 N -3.88 1.75 -1.38 1.56 8.25 -1.26 -4.87 115.22 115.39 2dgx n HIS 593 Ca -0.01 0.52 -0.07 0.00 -0.26 0.00 0.00 57.72 57.90 2dgx n HIS 593 Cb 0.49 -2.40 0.20 0.00 1.12 0.00 0.00 29.99 29.40 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 2.90 2.67 -4.31 1.59 5.66 -1.26 -4.55 114.28 116.98 2dgx n THR 594 Ca 0.18 -2.53 -0.17 0.00 -3.05 0.00 0.00 64.05 58.48 2dgx n THR 594 Cb 0.22 -0.35 -0.06 0.00 -1.55 0.00 0.00 70.33 68.59 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 -1.07 0.40 0.13 1.09 8.00 -1.26 -4.99 116.55 118.84 2dgx n ASP 595 Ca 0.38 -2.66 0.16 0.00 0.71 0.00 0.00 54.79 53.37 2dgx n ASP 595 Cb 1.16 1.00 0.46 0.00 -0.02 0.00 0.00 41.12 43.72 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 1.65 0.00 -0.36 1.24 -0.00 -1.94 0.28 116.97 117.84 2dgx h TYR 596 Ca -0.21 0.00 -0.22 0.00 -0.00 0.00 0.00 58.73 58.29 2dgx h TYR 596 Cb 0.92 0.00 -0.11 0.00 -0.00 0.00 0.00 36.73 37.54 2dgx h TYR 596 CO 0.00 0.00 0.29 1.04 -0.00 0.00 0.00 178.16 179.49 2dgx n GLN 597 N -3.05 1.55 -3.10 0.10 6.02 -1.26 -4.75 117.38 112.89 2dgx n GLN 597 Ca 0.08 -1.15 -0.41 0.00 -0.01 0.00 0.00 57.00 55.51 2dgx n GLN 597 Cb 0.93 -1.45 -0.06 0.00 1.02 0.00 0.00 30.24 30.68 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 -1.31 4.08 0.51 1.08 2.96 1.00 -4.72 118.68 122.27 2dgx s LEU 598 Ca 0.22 0.74 0.03 0.00 -0.22 0.00 0.00 54.13 54.91 2dgx s LEU 598 Cb 0.18 -2.87 0.00 0.00 0.50 0.00 0.00 46.19 44.00 2dgx s LEU 598 CO 0.01 -0.36 0.14 -0.54 -1.32 0.00 0.00 176.35 174.29 2dgx s LYS 599 N 2.41 2.21 0.26 1.98 1.02 -1.26 -3.63 119.74 122.72 2dgx s LYS 599 Ca 0.27 -2.24 -0.21 0.00 0.02 0.00 0.00 55.97 53.81 2dgx s LYS 599 Cb -0.16 -1.74 0.04 0.00 -0.52 0.00 0.00 37.83 35.46 2dgx s LYS 599 CO 0.09 -0.42 0.83 0.00 -0.92 0.00 0.00 175.35 174.92 2dgx s ALA 600 N -2.82 -1.28 -0.19 5.17 0.00 -0.75 -0.65 121.76 121.24 2dgx s ALA 600 Ca 0.17 -0.28 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 2dgx s ALA 600 Cb 0.01 0.75 0.08 0.00 0.00 0.00 0.00 23.12 23.96 2dgx s ALA 600 CO 0.10 -1.03 0.17 0.08 0.00 0.00 0.00 175.76 175.08 2dgx s VAL 601 N -3.26 -0.24 -0.40 0.00 1.01 -0.01 -0.09 120.40 117.41 2dgx s VAL 601 Ca 0.13 -0.13 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 2dgx s VAL 601 Cb -0.04 -0.63 0.01 0.00 0.00 0.00 0.00 36.38 35.72 2dgx s VAL 601 CO 0.06 -0.23 0.51 -0.69 0.00 0.00 0.00 175.10 174.76 2dgx s VAL 602 N 2.26 5.00 0.12 2.92 1.01 0.10 -1.28 120.40 130.53 2dgx s VAL 602 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 61.98 61.75 2dgx s VAL 602 Cb -0.16 -4.05 -0.06 0.00 0.00 0.00 0.00 36.38 32.11 2dgx s VAL 602 CO -0.11 -0.39 0.89 -1.58 0.00 0.00 0.00 175.10 173.91 2dgx s GLN 603 N 2.39 4.66 0.12 2.72 0.74 0.16 -1.18 119.66 129.28 2dgx s GLN 603 Ca 0.17 1.34 0.08 0.00 0.05 0.00 0.00 55.36 57.00 2dgx s GLN 603 Cb -0.16 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.56 2dgx s GLN 603 CO 0.15 0.30 -0.15 -1.64 -0.55 0.00 0.00 175.29 173.40 2dgx s MET 604 N -0.27 1.91 0.01 1.67 -1.94 0.81 0.58 119.30 122.08 2dgx s MET 604 Ca 0.43 -1.13 -0.25 0.00 -1.71 0.00 0.00 55.69 53.03 2dgx s MET 604 Cb -0.23 -2.18 -0.19 0.00 2.01 0.00 0.00 34.83 34.24 2dgx s MET 604 CO 0.28 0.49 1.38 0.93 -0.01 0.00 0.00 175.02 178.09 2dgx h GLU 605 N 3.64 -0.04 -6.08 2.03 4.39 -1.68 -2.33 114.58 114.50 2dgx h GLU 605 Ca -0.49 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 58.67 2dgx h GLU 605 Cb 1.17 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 2dgx h GLU 605 CO 0.49 0.31 -0.48 1.21 -1.16 0.00 0.00 179.01 179.38 2dgx s ASN 606 N -5.51 6.20 -0.05 1.42 2.47 -1.26 -4.55 114.94 113.65 2dgx s ASN 606 Ca -0.15 0.11 -0.09 0.00 0.42 0.00 0.00 52.86 53.15 2dgx s ASN 606 Cb 0.03 -1.83 -0.05 0.00 -1.45 0.00 0.00 41.25 37.95 2dgx s ASN 606 CO 0.66 0.04 0.40 0.25 -3.72 0.00 0.00 177.10 174.73 2dgx h LEU 607 N 2.08 -0.29 -0.77 3.21 7.12 -1.87 -3.28 115.31 121.52 2dgx h LEU 607 Ca -0.49 0.01 0.16 0.00 0.13 0.00 0.00 57.88 57.69 2dgx h LEU 607 Cb 1.20 0.07 -0.11 0.00 -0.53 0.00 0.00 40.66 41.30 2dgx h LEU 607 CO 0.67 0.14 0.26 1.56 -0.13 0.00 0.00 178.44 180.95 2dgx h GLN 608 N -1.03 0.35 -1.05 1.25 1.08 -1.97 0.22 115.11 113.98 2dgx h GLN 608 Ca -0.03 -0.02 0.28 0.00 -1.45 0.00 0.00 58.65 57.42 2dgx h GLN 608 Cb 0.26 -0.08 -0.07 0.00 -0.05 0.00 0.00 27.48 27.54 2dgx h GLN 608 CO 0.06 0.23 0.70 -0.44 -0.95 0.00 0.00 178.83 178.44 2dgx h ASP 609 N 0.37 0.28 -0.00 1.46 3.32 -1.99 -0.65 116.42 119.21 2dgx h ASP 609 Ca 0.44 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.53 2dgx h ASP 609 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2dgx h ASP 609 CO -0.47 0.06 -0.02 0.00 -1.72 0.00 0.00 179.24 177.09 2dgx h ALA 610 N 1.56 0.01 -0.99 3.45 0.00 -0.61 -2.63 119.26 120.04 2dgx h ALA 610 Ca 0.56 -0.36 0.11 0.00 0.00 0.00 0.00 54.91 55.21 2dgx h ALA 610 Cb 1.69 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 19.35 2dgx h ALA 610 CO -0.18 -0.12 -0.52 0.82 0.00 0.00 0.00 179.25 179.25 2dgx h ILE 611 N -0.69 0.00 -0.39 0.00 2.04 -0.81 0.13 117.51 117.80 2dgx h ILE 611 Ca -0.00 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 2dgx h ILE 611 Cb 0.73 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2dgx h ILE 611 CO 0.00 0.00 -0.02 1.23 0.00 0.00 0.00 178.15 179.37 2dgx h GLY 612 N -0.01 0.75 0.27 5.37 0.00 -1.63 -2.78 103.07 105.05 2dgx h GLY 612 Ca 0.22 -0.57 0.21 0.00 0.00 0.00 0.00 47.33 47.20 2dgx h GLY 612 CO -0.95 0.52 0.60 0.00 0.00 0.00 0.00 176.54 176.72 2dgx h ALA 613 N 0.87 2.30 0.29 3.60 0.00 -0.54 0.58 119.26 126.35 2dgx h ALA 613 Ca 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2dgx h ALA 613 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2dgx h ALA 613 CO 0.02 -0.59 -0.14 0.28 0.00 0.00 0.00 179.25 178.83 2dgx h VAL 614 N 0.34 0.00 0.00 0.00 2.07 -0.64 0.23 116.25 118.25 2dgx h VAL 614 Ca 0.47 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2dgx h VAL 614 Cb 1.26 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2dgx h VAL 614 CO -0.16 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.21 2dgx h ASN 615 N -0.98 0.00 0.00 0.57 2.35 -1.20 0.19 115.58 116.51 2dgx h ASN 615 Ca -0.04 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 2dgx h ASN 615 Cb 0.30 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 2dgx h ASN 615 CO 0.06 0.00 -0.79 -1.20 -1.65 0.00 0.00 177.43 173.85 2dgx n SER 616 N -2.34 1.85 0.00 5.81 7.64 0.20 -4.24 113.62 122.54 2dgx n SER 616 Ca -0.01 0.54 0.08 0.00 1.01 0.00 0.00 58.87 60.49 2dgx n SER 616 Cb 0.07 -0.85 0.43 0.00 -1.01 0.00 0.00 64.21 62.85 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 -4.55 0.00 -4.65 -3.43 4.77 0.81 -4.79 117.00 105.17 2dgx n LEU 617 Ca -0.14 0.22 -0.53 0.00 -0.03 0.00 0.00 56.01 55.54 2dgx n LEU 617 Cb 0.40 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.20 2dgx n LEU 617 CO 0.13 -0.10 1.12 1.57 -1.33 0.00 0.00 177.39 178.78 2dgx n HIS 618 N -1.22 1.85 -2.45 -1.77 -0.00 0.64 0.26 115.22 112.52 2dgx n HIS 618 Ca 0.09 0.50 -0.19 0.00 0.46 0.00 0.00 57.72 58.58 2dgx n HIS 618 Cb 0.11 -2.43 -0.01 0.00 -0.12 0.00 0.00 29.99 27.55 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 3.90 -1.97 -1.76 1.57 5.12 0.33 -4.88 116.66 118.97 2dgx n ARG 619 Ca 0.21 0.91 -0.42 0.00 -1.93 0.00 0.00 57.85 56.62 2dgx n ARG 619 Cb 0.19 -5.58 -0.03 0.00 -1.16 0.00 0.00 32.46 25.89 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 -2.96 1.46 -0.61 -1.55 5.04 0.14 -4.49 117.35 114.38 2dgx s TYR 620 Ca 0.02 -0.11 -0.26 0.00 -2.44 0.00 0.00 57.07 54.27 2dgx s TYR 620 Cb -0.01 -4.12 -0.11 0.00 0.35 0.00 0.00 41.96 38.08 2dgx s TYR 620 CO 0.02 -4.82 2.46 1.17 -1.34 0.00 0.00 175.55 173.04 2dgx n LYS 621 N 7.65 0.80 -4.41 4.97 0.00 -1.26 -2.63 118.16 123.29 2dgx n LYS 621 Ca 0.21 -0.11 -0.22 0.00 0.00 0.00 0.00 58.31 58.19 2dgx n LYS 621 Cb 0.42 -3.13 -0.10 0.00 0.00 0.00 0.00 35.03 32.21 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 11.81 2.16 0.00 3.15 1.01 -1.09 -5.02 121.20 133.22 2dgx s ILE 622 Ca 1.04 -2.24 0.00 0.00 0.00 0.00 0.00 60.65 59.45 2dgx s ILE 622 Cb -0.35 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 39.99 2dgx s ILE 622 CO 0.28 -0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.42 2dgx n GLY 623 N -0.31 1.48 0.01 6.18 0.00 -1.26 -0.88 105.19 110.42 2dgx n GLY 623 Ca -0.08 0.37 0.02 0.00 0.00 0.00 0.00 46.02 46.33 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 2.39 2.00 -3.76 1.61 3.41 -1.26 -5.04 113.62 112.98 2dgx n SER 624 Ca 0.00 -2.16 -0.11 0.00 -0.26 0.00 0.00 58.87 56.34 2dgx n SER 624 Cb 0.00 -0.07 -0.07 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.28 0.84 0.13 4.33 1.02 -0.06 -5.03 119.74 119.68 2dgx s LYS 625 Ca 0.05 -0.61 -0.27 0.00 0.02 0.00 0.00 55.97 55.16 2dgx s LYS 625 Cb 0.05 0.36 -0.07 0.00 -0.52 0.00 0.00 37.83 37.65 2dgx s LYS 625 CO 0.00 -0.28 0.84 0.15 -0.92 0.00 0.00 175.35 175.15 2dgx s LYS 626 N -2.91 4.62 -0.07 1.68 3.01 -1.26 -2.69 119.74 122.12 2dgx s LYS 626 Ca -0.02 1.25 -0.16 0.00 -1.01 0.00 0.00 55.97 56.03 2dgx s LYS 626 Cb 0.00 -3.32 -0.05 0.00 -1.01 0.00 0.00 37.83 33.45 2dgx s LYS 626 CO -0.06 0.39 0.42 0.96 0.51 0.00 0.00 175.35 177.57 2dgx s ILE 627 N -0.53 5.13 -0.43 2.17 -4.36 -1.08 -4.62 121.20 117.48 2dgx s ILE 627 Ca 0.40 0.85 -0.13 0.00 -0.26 0.00 0.00 60.65 61.52 2dgx s ILE 627 Cb -0.23 -3.75 0.06 0.00 1.25 0.00 0.00 42.46 39.80 2dgx s ILE 627 CO 0.27 0.45 0.31 -0.76 0.24 0.00 0.00 174.94 175.45 2dgx s LEU 628 N -0.16 5.27 0.29 0.37 1.43 0.70 0.12 118.68 126.71 2dgx s LEU 628 Ca 0.24 -1.28 -0.14 0.00 -1.03 0.00 0.00 54.13 51.91 2dgx s LEU 628 Cb -0.16 -2.09 -0.08 0.00 0.03 0.00 0.00 46.19 43.89 2dgx s LEU 628 CO 0.11 -0.55 0.69 -0.69 0.23 0.00 0.00 176.35 176.14 2dgx s VAL 629 N 1.56 4.73 -0.28 -1.59 1.01 -1.26 -1.11 120.40 123.47 2dgx s VAL 629 Ca 0.03 0.86 -0.23 0.00 0.00 0.00 0.00 61.98 62.65 2dgx s VAL 629 Cb -0.22 -3.63 0.09 0.00 0.00 0.00 0.00 36.38 32.62 2dgx s VAL 629 CO 0.06 -0.12 0.83 -0.44 0.00 0.00 0.00 175.10 175.42 2dgx s SER 630 N -2.24 -0.67 0.95 3.32 0.01 -0.12 -4.88 113.70 110.07 2dgx s SER 630 Ca 0.52 1.23 -0.12 0.00 1.31 0.00 0.00 55.95 58.88 2dgx s SER 630 Cb -0.11 1.26 0.16 0.00 0.21 0.00 0.00 66.02 67.54 2dgx s SER 630 CO 0.18 -0.21 1.11 -0.76 0.41 0.00 0.00 173.24 173.97 2dgx s LEU 631 N 0.62 1.84 0.15 2.44 1.43 -1.26 0.86 118.68 124.77 2dgx s LEU 631 Ca -0.01 1.15 0.03 0.00 -1.03 0.00 0.00 54.13 54.27 2dgx s LEU 631 Cb -0.05 -3.43 -0.05 0.00 0.03 0.00 0.00 46.19 42.70 2dgx s LEU 631 CO -0.06 -2.84 -0.07 0.00 0.23 0.00 0.00 176.35 173.61 2dgx s ALA 632 N -3.07 1.39 -0.12 4.21 0.00 -1.10 -4.63 121.76 118.44 2dgx s ALA 632 Ca 0.64 -1.51 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 2dgx s ALA 632 Cb -0.17 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 2dgx s ALA 632 CO 0.56 -0.17 -0.04 0.95 0.00 0.00 0.00 175.76 177.05 2dgx s THR 633 N -3.44 3.87 0.83 0.00 -4.23 -1.26 -4.83 115.64 106.58 2dgx s THR 633 Ca 0.18 -0.38 -0.07 0.00 -1.18 0.00 0.00 61.69 60.24 2dgx s THR 633 Cb 0.04 -2.66 0.17 0.00 1.34 0.00 0.00 72.50 71.39 2dgx s THR 633 CO 0.01 0.54 1.14 -0.83 -0.54 0.00 0.00 174.62 174.94 2dgx s GLY 634 N -0.11 1.77 0.17 3.99 0.00 -1.26 -4.96 107.32 106.93 2dgx s GLY 634 Ca 0.02 -1.59 -0.20 0.00 0.00 0.00 0.00 44.72 42.95 2dgx s GLY 634 CO 0.03 -0.91 1.33 0.00 0.00 0.00 0.00 173.10 173.54 2dgx n ALA 635 N -3.25 -0.28 -1.90 3.20 0.00 -1.26 -4.44 120.51 112.58 2dgx n ALA 635 Ca 0.16 0.81 -0.29 0.00 0.00 0.00 0.00 53.44 54.12 2dgx n ALA 635 Cb 0.60 -0.28 0.08 0.00 0.00 0.00 0.00 19.45 19.85 2dgx n ALA 635 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2dgx s SER 636 N -5.36 4.65 -0.45 0.00 1.04 -1.26 -5.06 113.70 107.26 2dgx s SER 636 Ca -0.11 0.78 0.07 0.00 0.48 0.00 0.00 55.95 57.17 2dgx s SER 636 Cb 0.14 -1.33 0.26 0.00 0.10 0.00 0.00 66.02 65.20 2dgx s SER 636 CO 0.58 -1.81 0.81 0.61 0.98 0.00 0.00 173.24 174.42 2dgx n GLY 637 N -3.24 1.20 3.75 7.32 0.00 -1.26 -5.01 105.19 107.96 2dgx n GLY 637 Ca 0.08 -0.50 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.16 1.94 -0.10 1.61 0.04 -1.26 -5.05 135.00 132.03 2dgx s PRO 638 Ca 0.32 1.06 -0.05 0.00 0.04 0.00 0.00 61.00 62.37 2dgx s PRO 638 Cb 0.23 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.87 2dgx s PRO 638 CO -0.17 -1.83 0.08 -1.54 0.04 0.00 0.00 177.00 173.58 2dgx s SER 639 N -3.40 5.87 0.42 6.66 1.04 -1.26 -5.11 113.70 117.91 2dgx s SER 639 Ca 0.62 0.32 0.04 0.00 0.48 0.00 0.00 55.95 57.41 2dgx s SER 639 Cb -0.17 -1.80 -0.04 0.00 0.10 0.00 0.00 66.02 64.10 2dgx s SER 639 CO 0.56 0.39 0.05 -0.94 0.98 0.00 0.00 173.24 174.29 2dgx s SER 640 N -0.96 3.31 0.00 7.02 1.04 -1.26 -5.36 113.70 117.49 2dgx s SER 640 Ca 0.14 -1.52 0.00 0.00 0.48 0.00 0.00 55.95 55.05 2dgx s SER 640 Cb -0.12 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.15 2dgx s SER 640 CO 0.03 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.15