#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3rpb n GLY 542 N 0.00 1.50 3.17 2.89 0.00 0.10 -4.78 105.19 108.07 3rpb n GLY 542 Ca 0.00 -1.92 -0.25 0.00 0.00 0.00 0.00 46.02 43.85 3rpb n GLY 542 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3rpb s LYS 543 N 2.68 1.55 -0.13 1.61 1.02 0.44 -0.95 119.74 125.96 3rpb s LYS 543 Ca 0.00 -0.64 0.02 0.00 0.02 0.00 0.00 55.97 55.37 3rpb s LYS 543 Cb 0.00 -1.45 0.00 0.00 -0.52 0.00 0.00 37.83 35.86 3rpb s LYS 543 CO 0.00 0.35 -0.20 -1.50 -0.92 0.00 0.00 175.35 173.09 3rpb s ILE 544 N -0.31 2.35 -0.38 2.17 -1.16 -0.76 0.14 121.20 123.25 3rpb s ILE 544 Ca 0.04 -0.89 -0.29 0.00 -0.51 0.00 0.00 60.65 59.00 3rpb s ILE 544 Cb -0.08 -1.95 0.02 0.00 0.61 0.00 0.00 42.46 41.06 3rpb s ILE 544 CO 0.00 0.54 1.12 -0.22 -2.81 0.00 0.00 174.94 173.57 3rpb s LEU 545 N 0.59 3.80 -0.10 8.50 2.96 0.55 -2.27 118.68 132.73 3rpb s LEU 545 Ca -0.11 0.82 0.00 0.00 -0.22 0.00 0.00 54.13 54.62 3rpb s LEU 545 Cb -0.16 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 3rpb s LEU 545 CO 0.03 -1.05 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.22 3rpb s VAL 546 N 4.04 3.40 -0.07 1.68 1.01 -0.05 -1.50 120.40 128.91 3rpb s VAL 546 Ca 0.47 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3rpb s VAL 546 Cb -0.10 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 3rpb s VAL 546 CO 0.23 0.56 -0.06 -0.55 0.00 0.00 0.00 175.10 175.27 3rpb s SER 547 N -0.27 4.69 0.10 3.32 0.15 0.68 -1.24 113.70 121.12 3rpb s SER 547 Ca 0.03 -0.01 0.09 0.00 0.70 0.00 0.00 55.95 56.76 3rpb s SER 547 Cb -0.13 -1.21 -0.03 0.00 -1.71 0.00 0.00 66.02 62.94 3rpb s SER 547 CO 0.03 0.36 -0.24 -0.76 1.20 0.00 0.00 173.24 173.82 3rpb s LEU 548 N -0.77 2.27 -0.30 3.45 1.43 0.21 0.18 118.68 125.15 3rpb s LEU 548 Ca 0.12 -0.67 -0.17 0.00 -1.03 0.00 0.00 54.13 52.38 3rpb s LEU 548 Cb -0.11 -1.07 0.18 0.00 0.03 0.00 0.00 46.19 45.21 3rpb s LEU 548 CO 0.02 0.14 1.12 -0.32 0.23 0.00 0.00 176.35 177.54 3rpb s MET 549 N -1.78 0.18 -0.16 1.70 1.75 0.23 0.25 119.30 121.47 3rpb s MET 549 Ca 0.10 0.43 -0.13 0.00 -1.25 0.00 0.00 55.69 54.84 3rpb s MET 549 Cb -0.10 0.26 -0.05 0.00 2.84 0.00 0.00 34.83 37.78 3rpb s MET 549 CO 0.04 -0.07 0.25 -0.47 -0.65 0.00 0.00 175.02 174.12 3rpb s TYR 550 N 2.35 3.47 -1.10 4.11 5.04 -0.89 0.20 117.35 130.53 3rpb s TYR 550 Ca -0.01 0.55 -0.08 0.00 -2.44 0.00 0.00 57.07 55.09 3rpb s TYR 550 Cb -0.04 -2.28 0.28 0.00 0.35 0.00 0.00 41.96 40.27 3rpb s TYR 550 CO -0.16 0.29 1.15 0.43 -1.34 0.00 0.00 175.55 175.92 3rpb n SER 551 N 3.40 5.57 -0.32 4.32 7.64 0.14 -2.34 113.62 132.04 3rpb n SER 551 Ca -0.13 -3.10 0.17 0.00 1.01 0.00 0.00 58.87 56.82 3rpb n SER 551 Cb 0.52 -1.34 0.37 0.00 -1.01 0.00 0.00 64.21 62.75 3rpb n SER 551 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3rpb h THR 552 N 3.63 0.38 -0.71 0.44 1.35 -1.92 0.71 112.91 116.79 3rpb h THR 552 Ca 0.18 -0.12 0.15 0.00 -0.55 0.00 0.00 66.41 66.07 3rpb h THR 552 Cb 0.83 -0.00 -0.10 0.00 -1.73 0.00 0.00 68.15 67.15 3rpb h THR 552 CO 1.05 0.06 0.18 -0.61 -0.25 0.00 0.00 175.52 175.95 3rpb h GLN 553 N 0.35 0.28 0.00 4.72 -0.00 -1.93 0.22 115.11 118.74 3rpb h GLN 553 Ca 0.63 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 59.26 3rpb h GLN 553 Cb 1.31 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 28.72 3rpb h GLN 553 CO -0.58 0.18 -0.52 1.96 0.00 0.00 0.00 178.83 179.87 3rpb h GLN 554 N 0.28 0.00 -2.03 1.69 4.20 -0.54 -3.48 115.11 115.24 3rpb h GLN 554 Ca 0.39 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 59.01 3rpb h GLN 554 Cb 0.64 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.45 3rpb h GLN 554 CO -0.48 0.00 -0.16 0.41 -0.67 0.00 0.00 178.83 177.94 3rpb n GLY 555 N 1.26 0.58 3.68 3.46 0.00 0.20 -5.05 105.19 109.32 3rpb n GLY 555 Ca 0.03 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 3rpb n GLY 555 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3rpb s GLY 556 N -3.05 0.22 0.30 -0.02 0.00 -1.12 -4.09 107.32 99.56 3rpb s GLY 556 Ca 0.13 -0.59 -0.01 0.00 0.00 0.00 0.00 44.72 44.25 3rpb s GLY 556 CO 0.16 -0.38 0.51 -2.27 0.00 0.00 0.00 173.10 171.11 3rpb s LEU 557 N -2.96 4.08 -0.15 0.66 2.96 -0.83 0.26 118.68 122.70 3rpb s LEU 557 Ca 0.17 0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 54.56 3rpb s LEU 557 Cb -0.03 -3.32 0.03 0.00 0.50 0.00 0.00 46.19 43.38 3rpb s LEU 557 CO 0.07 -0.21 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.18 3rpb s ILE 558 N -2.15 1.26 -0.30 6.68 -1.09 0.54 0.19 121.20 126.34 3rpb s ILE 558 Ca 0.40 -0.58 -0.09 0.00 -2.23 0.00 0.00 60.65 58.15 3rpb s ILE 558 Cb -0.10 -1.31 -0.02 0.00 -1.58 0.00 0.00 42.46 39.45 3rpb s ILE 558 CO 0.33 0.28 0.14 -0.69 -1.23 0.00 0.00 174.94 173.77 3rpb s VAL 559 N 1.59 4.63 -0.41 2.92 1.01 -1.03 -0.60 120.40 128.51 3rpb s VAL 559 Ca 0.03 -0.32 -0.10 0.00 0.00 0.00 0.00 61.98 61.59 3rpb s VAL 559 Cb -0.14 -3.31 0.07 0.00 0.00 0.00 0.00 36.38 32.99 3rpb s VAL 559 CO -0.09 0.13 0.26 -0.83 0.00 0.00 0.00 175.10 174.57 3rpb s GLY 560 N 1.63 1.97 -0.55 4.51 0.00 0.47 0.23 107.32 115.58 3rpb s GLY 560 Ca 0.05 -2.07 -0.25 0.00 0.00 0.00 0.00 44.72 42.45 3rpb s GLY 560 CO 0.06 0.95 0.98 -0.42 0.00 0.00 0.00 173.10 174.67 3rpb s ILE 561 N 1.46 4.34 0.00 0.90 -1.09 0.40 0.25 121.20 127.46 3rpb s ILE 561 Ca 0.03 0.42 0.00 0.00 -2.23 0.00 0.00 60.65 58.86 3rpb s ILE 561 Cb -0.22 -4.56 0.00 0.00 -1.58 0.00 0.00 42.46 36.10 3rpb s ILE 561 CO 0.03 -1.13 0.00 -0.38 -1.23 0.00 0.00 174.94 172.24 3rpb n ILE 562 N 6.29 0.00 -3.91 2.92 -0.00 -0.56 0.21 119.36 124.30 3rpb n ILE 562 Ca 0.03 0.11 -0.08 0.00 -0.00 0.00 0.00 62.75 62.81 3rpb n ILE 562 Cb 0.48 -0.36 -0.03 0.00 -0.00 0.00 0.00 39.64 39.73 3rpb n ILE 562 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3rpb s ARG 563 N -0.21 1.76 0.15 0.38 1.70 -1.21 0.26 118.95 121.77 3rpb s ARG 563 Ca 0.00 -1.16 0.05 0.00 -0.47 0.00 0.00 55.73 54.15 3rpb s ARG 563 Cb 0.00 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 34.89 3rpb s ARG 563 CO 0.00 -0.78 -0.12 0.00 -1.08 0.00 0.00 175.30 173.32 3rpb s VAL 565 N -2.91 0.09 -1.23 0.00 -7.23 0.36 -3.42 120.40 106.07 3rpb s VAL 565 Ca 0.15 -0.78 -0.07 0.00 -1.81 0.00 0.00 61.98 59.46 3rpb s VAL 565 Cb -0.00 -0.88 0.01 0.00 0.56 0.00 0.00 36.38 36.06 3rpb s VAL 565 CO 0.02 -0.43 1.07 1.57 -0.31 0.00 0.00 175.10 177.02 3rpb n HIS 566 N 0.72 -2.59 -2.36 2.82 -0.00 -1.22 0.17 115.22 112.75 3rpb n HIS 566 Ca -0.19 0.93 -0.32 0.00 0.46 0.00 0.00 57.72 58.60 3rpb n HIS 566 Cb 0.59 -4.72 -0.03 0.00 -0.12 0.00 0.00 29.99 25.71 3rpb n HIS 566 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3rpb s LEU 567 N -6.71 3.58 0.67 0.27 1.43 -0.73 -0.72 118.68 116.47 3rpb s LEU 567 Ca 0.49 1.48 -0.09 0.00 -1.03 0.00 0.00 54.13 54.98 3rpb s LEU 567 Cb -0.21 -4.43 0.02 0.00 0.03 0.00 0.00 46.19 41.59 3rpb s LEU 567 CO 0.67 -0.62 1.02 0.00 0.23 0.00 0.00 176.35 177.65 3rpb s ALA 568 N -2.70 3.05 -0.22 4.21 0.00 -1.26 -4.79 121.76 120.04 3rpb s ALA 568 Ca 0.57 -0.55 -0.00 0.00 0.00 0.00 0.00 51.96 51.98 3rpb s ALA 568 Cb -0.10 -2.82 0.06 0.00 0.00 0.00 0.00 23.12 20.26 3rpb s ALA 568 CO 0.36 -1.07 -0.02 0.00 0.00 0.00 0.00 175.76 175.03 3rpb s ALA 569 N -3.23 1.67 -0.12 0.00 0.00 -1.26 -4.21 121.76 114.61 3rpb s ALA 569 Ca 0.57 -1.17 0.15 0.00 0.00 0.00 0.00 51.96 51.52 3rpb s ALA 569 Cb -0.11 -1.36 -0.06 0.00 0.00 0.00 0.00 23.12 21.59 3rpb s ALA 569 CO 0.48 -1.20 1.09 0.52 0.00 0.00 0.00 175.76 176.66 3rpb h MET 570 N 8.04 0.00 -7.13 0.00 2.86 -1.86 -3.43 114.93 113.41 3rpb h MET 570 Ca -0.17 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 56.95 3rpb h MET 570 Cb 1.08 0.00 0.11 0.00 0.06 0.00 0.00 31.60 32.85 3rpb h MET 570 CO 0.39 0.41 0.43 -0.51 1.06 0.00 0.00 176.91 178.69 3rpb s ASP 571 N -6.10 5.18 0.00 1.22 1.11 -1.03 -4.89 116.67 112.16 3rpb s ASP 571 Ca -0.00 2.24 0.14 0.00 0.18 0.00 0.00 52.55 55.11 3rpb s ASP 571 Cb 0.08 -2.58 0.73 0.00 1.07 0.00 0.00 42.92 42.22 3rpb s ASP 571 CO 0.79 -1.59 1.39 0.00 1.18 0.00 0.00 175.17 176.93 3rpb n ALA 572 N -1.86 1.82 0.92 5.23 0.00 -1.26 -1.86 120.51 123.51 3rpb n ALA 572 Ca 0.12 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.62 3rpb n ALA 572 Cb 0.51 -1.23 0.44 0.00 0.00 0.00 0.00 19.45 19.16 3rpb n ALA 572 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3rpb n ASN 573 N -1.28 0.31 0.00 0.00 4.13 -1.26 -4.91 115.26 112.25 3rpb n ASN 573 Ca 0.07 0.23 0.00 0.00 1.68 0.00 0.00 54.58 56.56 3rpb n ASN 573 Cb 0.11 -0.23 0.00 0.00 -1.54 0.00 0.00 39.78 38.13 3rpb n ASN 573 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3rpb n GLY 574 N 1.47 0.74 0.00 7.41 0.00 -0.78 -5.05 105.19 108.97 3rpb n GLY 574 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3rpb n GLY 574 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3rpb n TYR 575 N -2.13 0.00 -3.99 1.61 4.02 -1.26 -4.54 117.16 110.88 3rpb n TYR 575 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 3rpb n TYR 575 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.30 3rpb n TYR 575 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3rpb s SER 576 N -0.93 0.57 -0.51 7.72 0.01 -1.26 -2.47 113.70 116.83 3rpb s SER 576 Ca 0.00 -1.35 0.07 0.00 1.31 0.00 0.00 55.95 55.98 3rpb s SER 576 Cb 0.00 0.73 0.36 0.00 0.21 0.00 0.00 66.02 67.32 3rpb s SER 576 CO 0.00 -1.43 0.92 0.47 0.41 0.00 0.00 173.24 173.61 3rpb n ASP 577 N -1.38 3.64 -4.77 2.44 9.92 -1.25 0.37 116.55 125.52 3rpb n ASP 577 Ca -0.02 -3.51 -0.39 0.00 -0.53 0.00 0.00 54.79 50.34 3rpb n ASP 577 Cb 0.61 -0.56 -0.00 0.00 -0.64 0.00 0.00 41.12 40.53 3rpb n ASP 577 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 3rpb s PRO 578 N -3.25 3.81 0.08 -0.24 0.04 -1.12 0.22 135.00 134.53 3rpb s PRO 578 Ca 0.46 2.04 -0.06 0.00 0.04 0.00 0.00 61.00 63.48 3rpb s PRO 578 Cb 0.32 -2.59 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 3rpb s PRO 578 CO -0.13 -0.59 0.11 -0.59 0.04 0.00 0.00 177.00 175.85 3rpb s PHE 579 N -1.35 0.30 -0.16 0.56 -0.71 0.67 -0.92 117.98 116.38 3rpb s PHE 579 Ca 0.61 -0.78 -0.03 0.00 -1.04 0.00 0.00 56.93 55.69 3rpb s PHE 579 Cb -0.35 -0.19 -0.02 0.00 -1.21 0.00 0.00 43.02 41.25 3rpb s PHE 579 CO 0.44 -0.49 -0.05 0.08 -1.34 0.00 0.00 175.22 173.86 3rpb s VAL 580 N -3.89 3.69 -0.13 -2.49 1.01 -1.26 -0.45 120.40 116.89 3rpb s VAL 580 Ca 0.06 -0.42 -0.00 0.00 0.00 0.00 0.00 61.98 61.61 3rpb s VAL 580 Cb 0.06 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 3rpb s VAL 580 CO -0.10 0.49 -0.11 -0.54 0.00 0.00 0.00 175.10 174.84 3rpb s LYS 581 N 0.48 3.37 -0.07 2.72 1.02 0.23 0.60 119.74 128.09 3rpb s LYS 581 Ca -0.04 -0.65 0.05 0.00 0.02 0.00 0.00 55.97 55.35 3rpb s LYS 581 Cb -0.15 -2.66 -0.01 0.00 -0.52 0.00 0.00 37.83 34.49 3rpb s LYS 581 CO 0.03 0.26 -0.25 -0.51 -0.92 0.00 0.00 175.35 173.96 3rpb s LEU 582 N 0.25 2.09 -0.10 3.17 1.02 -0.95 -0.61 118.68 123.55 3rpb s LEU 582 Ca -0.08 -0.52 -0.03 0.00 0.02 0.00 0.00 54.13 53.51 3rpb s LEU 582 Cb -0.15 -1.39 0.05 0.00 0.02 0.00 0.00 46.19 44.72 3rpb s LEU 582 CO 0.05 0.22 0.09 0.86 0.02 0.00 0.00 176.35 177.59 3rpb s TRP 583 N -0.01 0.06 -0.55 0.29 -0.00 -1.11 0.14 118.94 117.75 3rpb s TRP 583 Ca -0.08 0.09 -0.23 0.00 -0.00 0.00 0.00 56.10 55.87 3rpb s TRP 583 Cb -0.15 -0.52 0.05 0.00 -0.00 0.00 0.00 33.47 32.84 3rpb s TRP 583 CO 0.05 -0.34 0.91 -1.17 -0.00 0.00 0.00 176.95 176.40 3rpb s LEU 584 N 2.18 4.22 0.25 5.86 2.96 -1.12 -2.43 118.68 130.59 3rpb s LEU 584 Ca 0.04 -0.46 -0.19 0.00 -0.22 0.00 0.00 54.13 53.30 3rpb s LEU 584 Cb -0.14 -2.76 -0.08 0.00 0.50 0.00 0.00 46.19 43.71 3rpb s LEU 584 CO -0.06 -1.20 0.74 -0.54 -1.32 0.00 0.00 176.35 173.97 3rpb s LYS 585 N 3.81 4.23 0.83 1.98 1.02 -0.89 -4.12 119.74 126.60 3rpb s LYS 585 Ca 0.28 0.86 -0.14 0.00 0.02 0.00 0.00 55.97 56.99 3rpb s LYS 585 Cb -0.14 -2.79 0.20 0.00 -0.52 0.00 0.00 37.83 34.58 3rpb s LYS 585 CO 0.18 0.34 0.94 -2.30 -0.92 0.00 0.00 175.35 173.59 3rpb n PRO 586 N 0.52 -1.71 -2.62 -1.68 -0.02 -1.26 -2.38 135.00 125.85 3rpb n PRO 586 Ca -0.01 -1.46 -0.42 0.00 -2.02 0.00 0.00 63.50 59.59 3rpb n PRO 586 Cb 0.51 -1.13 -0.03 0.00 -0.02 0.00 0.00 33.50 32.83 3rpb n PRO 586 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3rpb s ASP 587 N -4.29 6.35 -0.10 2.55 1.47 -1.26 -4.89 116.67 116.50 3rpb s ASP 587 Ca 0.56 -0.13 -0.03 0.00 1.18 0.00 0.00 52.55 54.13 3rpb s ASP 587 Cb -0.03 -2.53 -0.02 0.00 -0.34 0.00 0.00 42.92 39.99 3rpb s ASP 587 CO 0.41 -1.53 0.09 0.24 0.68 0.00 0.00 175.17 175.05 3rpb h MET 588 N 9.63 -0.02 -0.09 2.11 2.86 -1.97 -3.40 114.93 124.05 3rpb h MET 588 Ca -0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3rpb h MET 588 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 3rpb h MET 588 CO 1.20 0.07 0.00 0.41 1.06 0.00 0.00 176.91 179.65 3rpb n GLY 589 N 1.72 0.39 2.46 8.32 0.00 -1.26 -4.98 105.19 111.84 3rpb n GLY 589 Ca -0.01 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3rpb n GLY 589 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3rpb n LYS 590 N 0.47 0.00 0.00 1.61 3.00 -1.26 -4.75 118.16 117.23 3rpb n LYS 590 Ca 0.07 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.52 3rpb n LYS 590 Cb 0.28 0.00 0.85 0.00 0.00 0.00 0.00 35.03 36.15 3rpb n LYS 590 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3rpb n LYS 591 N 0.00 0.86 -0.41 1.64 5.02 -1.26 -3.85 118.16 120.16 3rpb n LYS 591 Ca 0.00 0.00 0.38 0.00 -2.02 0.00 0.00 58.31 56.68 3rpb n LYS 591 Cb 0.00 -1.50 0.75 0.00 -0.02 0.00 0.00 35.03 34.26 3rpb n LYS 591 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3rpb h ALA 592 N 3.77 3.21 -2.42 7.82 0.00 -1.89 -3.40 119.26 126.36 3rpb h ALA 592 Ca 0.00 -0.03 -0.50 0.00 0.00 0.00 0.00 54.91 54.38 3rpb h ALA 592 Cb 0.02 0.10 0.09 0.00 0.00 0.00 0.00 17.79 18.00 3rpb h ALA 592 CO 0.00 -1.61 0.38 0.15 0.00 0.00 0.00 179.25 178.17 3rpb s LYS 593 N -4.98 2.73 0.32 0.00 1.02 -1.23 -2.81 119.74 114.79 3rpb s LYS 593 Ca -0.05 0.64 -0.19 0.00 0.02 0.00 0.00 55.97 56.39 3rpb s LYS 593 Cb 0.24 -1.99 0.03 0.00 -0.52 0.00 0.00 37.83 35.59 3rpb s LYS 593 CO 0.83 -1.16 0.75 -1.01 -0.92 0.00 0.00 175.35 173.83 3rpb s HIS 594 N -3.22 -0.07 -0.28 3.18 3.76 0.37 -4.85 115.29 114.17 3rpb s HIS 594 Ca 0.58 -0.47 -0.05 0.00 -0.15 0.00 0.00 55.06 54.97 3rpb s HIS 594 Cb -0.13 0.76 0.15 0.00 1.11 0.00 0.00 32.58 34.48 3rpb s HIS 594 CO 0.53 -1.36 0.58 0.15 -0.85 0.00 0.00 174.74 173.79 3rpb s LYS 595 N -3.29 0.53 1.07 1.40 3.01 -1.25 -2.23 119.74 118.97 3rpb s LYS 595 Ca 0.13 1.13 -0.17 0.00 -1.01 0.00 0.00 55.97 56.05 3rpb s LYS 595 Cb -0.06 0.55 0.23 0.00 -1.01 0.00 0.00 37.83 37.55 3rpb s LYS 595 CO 0.09 -0.43 1.18 0.95 0.51 0.00 0.00 175.35 177.65 3rpb s THR 596 N 2.82 1.81 0.27 2.17 -4.23 0.20 -4.94 115.64 113.75 3rpb s THR 596 Ca 0.08 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.30 3rpb s THR 596 Cb -0.14 -2.69 -0.14 0.00 1.34 0.00 0.00 72.50 70.87 3rpb s THR 596 CO -0.19 0.00 1.05 0.00 -0.54 0.00 0.00 174.62 174.94 3rpb n GLN 597 N -4.25 1.37 -2.50 3.99 1.13 -1.26 -4.50 117.38 111.36 3rpb n GLN 597 Ca 0.12 0.48 -0.43 0.00 -1.94 0.00 0.00 57.00 55.23 3rpb n GLN 597 Cb 0.59 -1.88 -0.02 0.00 0.11 0.00 0.00 30.24 29.04 3rpb n GLN 597 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3rpb s ILE 598 N -0.89 4.40 -1.24 5.09 -1.09 -1.26 -4.63 121.20 121.58 3rpb s ILE 598 Ca 0.61 1.69 -0.10 0.00 -2.23 0.00 0.00 60.65 60.62 3rpb s ILE 598 Cb -0.72 -4.11 0.18 0.00 -1.58 0.00 0.00 42.46 36.24 3rpb s ILE 598 CO 0.58 -0.17 1.71 0.29 -1.23 0.00 0.00 174.94 176.12 3rpb n LYS 599 N 6.56 3.64 -1.98 2.79 4.76 -0.09 -4.99 118.16 128.85 3rpb n LYS 599 Ca 0.13 -3.73 -0.39 0.00 -2.87 0.00 0.00 58.31 51.45 3rpb n LYS 599 Cb 0.45 -2.90 0.00 0.00 -1.84 0.00 0.00 35.03 30.74 3rpb n LYS 599 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3rpb s LYS 600 N 0.34 3.85 -0.94 1.97 -0.14 -1.26 -2.80 119.74 120.75 3rpb s LYS 600 Ca 0.39 2.22 -0.09 0.00 -1.36 0.00 0.00 55.97 57.13 3rpb s LYS 600 Cb 0.05 -2.70 -0.00 0.00 -1.68 0.00 0.00 37.83 33.51 3rpb s LYS 600 CO 0.01 -0.61 0.71 1.63 -0.76 0.00 0.00 175.35 176.32 3rpb n LYS 601 N -0.03 -1.32 -3.65 1.68 4.01 0.03 -4.88 118.16 114.00 3rpb n LYS 601 Ca 0.04 0.81 -0.01 0.00 -0.51 0.00 0.00 58.31 58.65 3rpb n LYS 601 Cb 0.43 -3.93 -0.05 0.00 -0.51 0.00 0.00 35.03 30.97 3rpb n LYS 601 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 3rpb s THR 602 N -3.19 0.00 -0.03 -0.18 -1.32 0.16 -4.87 115.64 106.20 3rpb s THR 602 Ca 0.20 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.69 3rpb s THR 602 Cb -0.07 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.90 3rpb s THR 602 CO 0.85 0.00 0.04 0.18 -2.21 0.00 0.00 174.62 173.47 3rpb n LEU 603 N 0.80 0.03 -2.57 9.08 4.77 -1.26 -4.00 117.00 123.85 3rpb n LEU 603 Ca -0.02 -0.36 -0.17 0.00 -0.03 0.00 0.00 56.01 55.43 3rpb n LEU 603 Cb 0.58 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.69 3rpb n LEU 603 CO 0.05 0.01 0.02 0.59 -1.33 0.00 0.00 177.39 176.73 3rpb n ASN 604 N -1.17 2.93 -2.68 -1.43 3.02 -1.26 -1.78 115.26 112.90 3rpb n ASN 604 Ca 0.00 -3.16 -0.10 0.00 -0.03 0.00 0.00 54.58 51.29 3rpb n ASN 604 Cb 0.02 -0.50 0.07 0.00 -0.61 0.00 0.00 39.78 38.76 3rpb n ASN 604 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3rpb n PRO 605 N -0.26 -0.63 -4.06 3.52 -0.04 -1.22 -4.85 135.00 127.46 3rpb n PRO 605 Ca 0.23 -0.68 -0.23 0.00 -0.04 0.00 0.00 63.50 62.78 3rpb n PRO 605 Cb 0.75 -0.48 -0.17 0.00 -0.04 0.00 0.00 33.50 33.57 3rpb n PRO 605 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3rpb s GLU 606 N -3.96 1.05 -0.15 0.54 2.12 -1.26 -2.57 118.70 114.47 3rpb s GLU 606 Ca 0.25 -0.13 -0.11 0.00 0.36 0.00 0.00 54.97 55.34 3rpb s GLU 606 Cb -0.01 -1.12 -0.06 0.00 0.26 0.00 0.00 34.13 33.20 3rpb s GLU 606 CO 0.18 -0.17 -0.09 0.74 -0.54 0.00 0.00 175.26 175.39 3rpb h PHE 607 N 7.68 0.00 -6.29 5.30 0.04 0.34 -3.47 116.94 120.53 3rpb h PHE 607 Ca -0.30 0.00 -0.46 0.00 2.80 0.00 0.00 57.97 60.01 3rpb h PHE 607 Cb 1.15 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.29 3rpb h PHE 607 CO 0.49 0.29 -0.85 -1.71 -0.60 0.00 0.00 178.31 175.93 3rpb n ASN 608 N -4.59 -1.16 -4.61 2.17 5.15 0.61 -4.90 115.26 107.93 3rpb n ASN 608 Ca -0.11 -0.90 -0.34 0.00 -0.60 0.00 0.00 54.58 52.62 3rpb n ASN 608 Cb 0.33 -3.59 -0.11 0.00 -0.53 0.00 0.00 39.78 35.88 3rpb n ASN 608 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3rpb s GLU 609 N -6.29 3.00 -0.33 1.20 0.41 0.51 -4.92 118.70 112.28 3rpb s GLU 609 Ca 0.08 -0.49 -0.06 0.00 -0.41 0.00 0.00 54.97 54.09 3rpb s GLU 609 Cb -0.04 -2.73 0.04 0.00 -1.78 0.00 0.00 34.13 29.62 3rpb s GLU 609 CO 0.85 0.60 0.08 -1.83 -0.49 0.00 0.00 175.26 174.48 3rpb s GLU 610 N -0.63 2.62 0.57 1.61 -1.05 -1.26 0.15 118.70 120.72 3rpb s GLU 610 Ca 0.10 -1.17 0.01 0.00 -0.15 0.00 0.00 54.97 53.76 3rpb s GLU 610 Cb -0.12 -3.41 0.05 0.00 -0.44 0.00 0.00 34.13 30.21 3rpb s GLU 610 CO 0.02 -0.64 0.80 -0.06 0.95 0.00 0.00 175.26 176.33 3rpb s PHE 611 N 1.38 2.69 -0.08 4.83 0.40 0.64 -4.92 117.98 122.92 3rpb s PHE 611 Ca -0.02 -0.05 -0.03 0.00 -0.60 0.00 0.00 56.93 56.23 3rpb s PHE 611 Cb -0.19 -2.78 0.05 0.00 0.51 0.00 0.00 43.02 40.60 3rpb s PHE 611 CO 0.02 -0.98 0.17 0.12 0.70 0.00 0.00 175.22 175.24 3rpb s PHE 612 N -2.81 -0.20 0.14 0.36 5.36 -1.26 -2.47 117.98 117.10 3rpb s PHE 612 Ca 0.58 0.62 0.04 0.00 -0.96 0.00 0.00 56.93 57.21 3rpb s PHE 612 Cb -0.10 -0.21 -0.04 0.00 -0.34 0.00 0.00 43.02 42.34 3rpb s PHE 612 CO 0.39 -0.26 0.14 0.71 -1.46 0.00 0.00 175.22 174.75 3rpb s TYR 613 N 2.09 3.22 -0.83 10.12 1.51 0.52 -4.94 117.35 129.03 3rpb s TYR 613 Ca 0.01 0.03 0.02 0.00 -1.01 0.00 0.00 57.07 56.12 3rpb s TYR 613 Cb -0.12 -1.57 0.32 0.00 -0.11 0.00 0.00 41.96 40.48 3rpb s TYR 613 CO -0.06 0.52 1.36 -0.25 -1.11 0.00 0.00 175.55 176.02 3rpb n ASP 614 N -0.15 5.86 -4.11 2.29 9.92 -1.26 -1.97 116.55 127.13 3rpb n ASP 614 Ca -0.08 -3.64 -0.24 0.00 -0.53 0.00 0.00 54.79 50.30 3rpb n ASP 614 Cb 0.54 -0.91 -0.16 0.00 -0.64 0.00 0.00 41.12 39.95 3rpb n ASP 614 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3rpb s ILE 615 N -4.05 1.24 0.10 0.53 1.10 -1.26 -5.00 121.20 113.86 3rpb s ILE 615 Ca 0.42 -0.64 -0.31 0.00 -0.51 0.00 0.00 60.65 59.61 3rpb s ILE 615 Cb 0.20 -1.05 -0.07 0.00 0.15 0.00 0.00 42.46 41.69 3rpb s ILE 615 CO -0.10 0.36 1.31 -0.54 -2.11 0.00 0.00 174.94 173.86 3rpb s LYS 616 N -0.14 4.37 0.30 3.50 3.01 -1.26 -3.95 119.74 125.58 3rpb s LYS 616 Ca 0.01 1.96 0.03 0.00 -1.01 0.00 0.00 55.97 56.96 3rpb s LYS 616 Cb -0.08 -3.28 0.79 0.00 -1.01 0.00 0.00 37.83 34.24 3rpb s LYS 616 CO 0.01 -0.36 1.60 1.25 0.51 0.00 0.00 175.35 178.36 3rpb h HIS 617 N 6.71 0.18 -0.31 3.18 -0.00 -1.94 1.78 115.15 124.77 3rpb h HIS 617 Ca -0.42 0.06 0.09 0.00 -0.00 0.00 0.00 60.37 60.10 3rpb h HIS 617 Cb 1.21 0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 28.68 3rpb h HIS 617 CO 0.66 -0.35 0.44 0.66 -0.00 0.00 0.00 177.93 179.34 3rpb h SER 618 N 0.08 0.00 0.00 3.26 4.64 -2.00 0.18 113.55 119.71 3rpb h SER 618 Ca 0.60 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.70 3rpb h SER 618 Cb 1.28 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.32 3rpb h SER 618 CO -0.80 0.00 -2.03 0.47 -0.87 0.00 0.00 176.83 173.60 3rpb n ASP 619 N -3.46 1.04 -0.12 4.97 8.00 0.57 -4.64 116.55 122.91 3rpb n ASP 619 Ca 0.05 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.52 3rpb n ASP 619 Cb 0.58 1.11 -0.03 0.00 -0.02 0.00 0.00 41.12 42.76 3rpb n ASP 619 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3rpb n LEU 620 N -2.48 -0.31 -0.30 0.64 4.77 0.73 -0.09 117.00 119.96 3rpb n LEU 620 Ca -0.21 1.08 0.03 0.00 -0.03 0.00 0.00 56.01 56.88 3rpb n LEU 620 Cb 0.89 -0.35 0.09 0.00 -2.33 0.00 0.00 43.42 41.72 3rpb n LEU 620 CO 0.35 -0.70 0.53 0.00 -1.33 0.00 0.00 177.39 176.23 3rpb n ALA 621 N -3.03 0.10 0.26 -1.18 0.00 -1.23 0.27 120.51 115.71 3rpb n ALA 621 Ca 0.01 0.88 0.13 0.00 0.00 0.00 0.00 53.44 54.45 3rpb n ALA 621 Cb 0.08 -0.49 0.70 0.00 0.00 0.00 0.00 19.45 19.74 3rpb n ALA 621 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3rpb h LYS 622 N 0.00 0.00 -7.16 0.00 6.56 -0.78 -2.83 116.57 112.36 3rpb h LYS 622 Ca 0.36 0.00 -0.43 0.00 -1.06 0.00 0.00 60.65 59.52 3rpb h LYS 622 Cb 0.57 0.00 0.21 0.00 -0.57 0.00 0.00 32.23 32.44 3rpb h LYS 622 CO -0.84 0.13 0.01 0.15 -2.06 0.00 0.00 179.45 176.84 3rpb s LYS 623 N -4.11 -1.04 -0.26 3.15 -0.14 0.78 -4.82 119.74 113.30 3rpb s LYS 623 Ca -0.02 0.72 -0.03 0.00 -1.36 0.00 0.00 55.97 55.27 3rpb s LYS 623 Cb 0.13 -1.55 0.10 0.00 -1.68 0.00 0.00 37.83 34.83 3rpb s LYS 623 CO 0.59 -3.77 0.17 -1.54 -0.76 0.00 0.00 175.35 170.03 3rpb s SER 624 N -2.65 2.66 -0.31 2.83 1.04 -1.00 -3.78 113.70 112.49 3rpb s SER 624 Ca 0.68 -0.92 -0.29 0.00 0.48 0.00 0.00 55.95 55.91 3rpb s SER 624 Cb -0.24 -0.07 0.02 0.00 0.10 0.00 0.00 66.02 65.83 3rpb s SER 624 CO 0.64 -0.40 1.08 -0.22 0.98 0.00 0.00 173.24 175.32 3rpb s LEU 625 N 2.19 3.94 -0.53 2.42 2.96 0.16 -2.09 118.68 127.73 3rpb s LEU 625 Ca 0.07 1.08 -0.09 0.00 -0.22 0.00 0.00 54.13 54.97 3rpb s LEU 625 Cb -0.16 -3.54 0.14 0.00 0.50 0.00 0.00 46.19 43.13 3rpb s LEU 625 CO -0.28 -0.87 0.41 -0.62 -1.32 0.00 0.00 176.35 173.67 3rpb s ASP 626 N 1.67 5.79 -0.61 3.68 2.15 -1.02 0.16 116.67 128.49 3rpb s ASP 626 Ca 0.46 -2.10 -0.21 0.00 0.43 0.00 0.00 52.55 51.13 3rpb s ASP 626 Cb -0.13 -2.03 0.08 0.00 -0.30 0.00 0.00 42.92 40.55 3rpb s ASP 626 CO 0.15 -0.65 0.82 -0.63 -0.17 0.00 0.00 175.17 174.69 3rpb s ILE 627 N 1.08 4.58 -0.09 4.11 1.09 -0.46 -2.77 121.20 128.74 3rpb s ILE 627 Ca 0.08 -0.61 0.01 0.00 -1.10 0.00 0.00 60.65 59.04 3rpb s ILE 627 Cb -0.24 -4.56 -0.02 0.00 -1.06 0.00 0.00 42.46 36.57 3rpb s ILE 627 CO -0.02 -1.25 -0.12 -0.44 -0.10 0.00 0.00 174.94 173.01 3rpb s SER 628 N 3.53 4.14 -0.23 3.58 0.01 0.22 -0.67 113.70 124.29 3rpb s SER 628 Ca 0.17 -0.22 -0.09 0.00 1.31 0.00 0.00 55.95 57.13 3rpb s SER 628 Cb -0.20 -1.23 -0.04 0.00 0.21 0.00 0.00 66.02 64.76 3rpb s SER 628 CO 0.09 0.27 0.12 -0.69 0.41 0.00 0.00 173.24 173.44 3rpb s VAL 629 N -0.27 4.96 0.08 3.43 1.01 0.47 0.78 120.40 130.85 3rpb s VAL 629 Ca 0.02 0.04 0.09 0.00 0.00 0.00 0.00 61.98 62.13 3rpb s VAL 629 Cb -0.13 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 3rpb s VAL 629 CO 0.03 0.37 -0.24 0.26 0.00 0.00 0.00 175.10 175.51 3rpb s TRP 630 N 1.06 2.07 -0.24 5.22 0.52 0.41 -1.23 118.94 126.75 3rpb s TRP 630 Ca 0.06 -0.39 -0.24 0.00 0.02 0.00 0.00 56.10 55.55 3rpb s TRP 630 Cb -0.14 -1.19 -0.01 0.00 -1.15 0.00 0.00 33.47 30.98 3rpb s TRP 630 CO 0.04 0.18 0.78 0.34 0.02 0.00 0.00 176.95 178.31 3rpb s ASP 631 N -1.55 6.78 0.70 2.95 -1.08 0.61 -0.24 116.67 124.84 3rpb s ASP 631 Ca 0.10 0.96 -0.11 0.00 -0.52 0.00 0.00 52.55 52.98 3rpb s ASP 631 Cb -0.10 -2.41 0.01 0.00 -1.46 0.00 0.00 42.92 38.96 3rpb s ASP 631 CO 0.03 -0.47 1.07 -0.47 0.52 0.00 0.00 175.17 175.85 3rpb s TYR 632 N 2.69 3.15 -0.28 -5.34 6.14 0.60 0.22 117.35 124.53 3rpb s TYR 632 Ca 0.33 1.32 -0.15 0.00 0.64 0.00 0.00 57.07 59.21 3rpb s TYR 632 Cb -0.15 -2.92 0.09 0.00 0.42 0.00 0.00 41.96 39.40 3rpb s TYR 632 CO 0.08 -1.25 0.69 -0.51 0.64 0.00 0.00 175.55 175.19 3rpb s ASP 633 N -3.91 -0.97 0.11 4.32 1.11 -1.26 -4.16 116.67 111.91 3rpb s ASP 633 Ca 0.58 1.52 -0.21 0.00 0.18 0.00 0.00 52.55 54.61 3rpb s ASP 633 Cb -0.13 1.49 -0.07 0.00 1.07 0.00 0.00 42.92 45.28 3rpb s ASP 633 CO 0.54 -0.24 0.65 0.27 1.18 0.00 0.00 175.17 177.58 3rpb s ILE 634 N 1.78 4.60 0.00 0.77 -0.00 -1.26 -3.79 121.20 123.30 3rpb s ILE 634 Ca -0.10 1.40 0.00 0.00 -0.00 0.00 0.00 60.65 61.95 3rpb s ILE 634 Cb -0.06 -3.99 0.00 0.00 -0.00 0.00 0.00 42.46 38.42 3rpb s ILE 634 CO -0.20 0.53 0.00 0.61 -0.00 0.00 0.00 174.94 175.89 3rpb n GLY 635 N 1.64 2.51 0.00 6.27 0.00 -1.26 -4.95 105.19 109.40 3rpb n GLY 635 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3rpb n GLY 635 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3rpb n LYS 636 N -2.00 0.00 -2.16 1.61 5.02 -1.25 -5.17 118.16 114.20 3rpb n LYS 636 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 3rpb n LYS 636 Cb 0.00 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.12 3rpb n LYS 636 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3rpb s SER 637 N 0.75 4.22 0.68 4.39 0.01 -1.26 -4.73 113.70 117.76 3rpb s SER 637 Ca 0.00 0.29 -0.01 0.00 1.31 0.00 0.00 55.95 57.53 3rpb s SER 637 Cb 0.00 -0.70 0.03 0.00 0.21 0.00 0.00 66.02 65.56 3rpb s SER 637 CO 0.00 -2.00 0.19 -0.46 0.41 0.00 0.00 173.24 171.38 3rpb n ASN 638 N -3.18 0.14 -4.10 2.44 6.94 -1.26 -4.20 115.26 112.03 3rpb n ASN 638 Ca 0.11 -1.14 -0.10 0.00 -0.02 0.00 0.00 54.58 53.43 3rpb n ASN 638 Cb 0.60 -0.13 -0.10 0.00 -2.36 0.00 0.00 39.78 37.79 3rpb n ASN 638 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 3rpb s ASP 639 N -1.73 0.81 -0.33 0.53 1.11 0.59 -4.93 116.67 112.73 3rpb s ASP 639 Ca 0.12 -0.83 -0.18 0.00 0.18 0.00 0.00 52.55 51.83 3rpb s ASP 639 Cb -0.00 0.11 -0.01 0.00 1.07 0.00 0.00 42.92 44.08 3rpb s ASP 639 CO 0.08 -0.41 0.52 -0.47 1.18 0.00 0.00 175.17 176.07 3rpb s TYR 640 N -2.87 3.20 -0.18 4.23 6.14 -1.26 0.22 117.35 126.83 3rpb s TYR 640 Ca 0.02 0.32 0.02 0.00 0.64 0.00 0.00 57.07 58.06 3rpb s TYR 640 Cb 0.00 -2.89 -0.22 0.00 0.42 0.00 0.00 41.96 39.27 3rpb s TYR 640 CO -0.04 -0.48 0.11 -0.89 0.64 0.00 0.00 175.55 174.89 3rpb n ILE 641 N 5.37 1.60 0.00 3.14 5.41 -0.47 -4.83 119.36 129.58 3rpb n ILE 641 Ca -0.04 -0.66 0.00 0.00 1.00 0.00 0.00 62.75 63.05 3rpb n ILE 641 Cb 0.49 -1.37 0.00 0.00 -0.71 0.00 0.00 39.64 38.05 3rpb n ILE 641 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3rpb n GLY 642 N 2.03 3.71 0.00 7.39 0.00 -0.36 -4.43 105.19 113.52 3rpb n GLY 642 Ca -0.36 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.43 3rpb n GLY 642 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3rpb n GLY 643 N -1.53 1.79 3.49 -0.02 0.00 0.17 0.18 105.19 109.28 3rpb n GLY 643 Ca 0.00 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 3rpb n GLY 643 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3rpb s GLN 645 N -3.94 2.44 -0.41 0.00 -0.21 -1.26 -1.36 119.66 114.93 3rpb s GLN 645 Ca 0.15 -0.77 0.01 0.00 0.02 0.00 0.00 55.36 54.77 3rpb s GLN 645 Cb 0.00 -2.42 0.14 0.00 1.00 0.00 0.00 33.01 31.73 3rpb s GLN 645 CO 0.01 0.59 0.24 -0.51 -2.12 0.00 0.00 175.29 173.51 3rpb s LEU 646 N -1.32 1.90 0.01 2.90 1.43 0.43 -4.82 118.68 119.21 3rpb s LEU 646 Ca 0.16 -2.50 0.04 0.00 -1.03 0.00 0.00 54.13 50.79 3rpb s LEU 646 Cb -0.11 -0.72 -0.01 0.00 0.03 0.00 0.00 46.19 45.37 3rpb s LEU 646 CO 0.06 -0.27 -0.12 -0.83 0.23 0.00 0.00 176.35 175.41 3rpb s GLY 647 N 0.59 0.64 0.27 -3.19 0.00 -1.26 0.37 107.32 104.74 3rpb s GLY 647 Ca 0.19 -0.63 0.18 0.00 0.00 0.00 0.00 44.72 44.46 3rpb s GLY 647 CO -0.02 -0.57 1.53 4.51 0.00 0.00 0.00 173.10 178.56 3rpb n ILE 648 N 2.41 1.15 1.99 0.90 3.06 -1.07 0.10 119.36 127.89 3rpb n ILE 648 Ca -0.16 0.70 0.13 0.00 -2.50 0.00 0.00 62.75 60.93 3rpb n ILE 648 Cb 0.55 -1.70 0.77 0.00 0.54 0.00 0.00 39.64 39.80 3rpb n ILE 648 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 3rpb n SER 649 N -2.12 0.04 -4.66 9.51 2.88 -1.26 -4.82 113.62 113.18 3rpb n SER 649 Ca -0.01 -1.19 -0.24 0.00 -1.33 0.00 0.00 58.87 56.09 3rpb n SER 649 Cb 0.05 -0.00 0.11 0.00 -0.75 0.00 0.00 64.21 63.62 3rpb n SER 649 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3rpb s ALA 650 N -2.00 3.56 -0.14 -1.46 0.00 0.11 -5.10 121.76 116.74 3rpb s ALA 650 Ca 0.39 -1.62 -0.10 0.00 0.00 0.00 0.00 51.96 50.63 3rpb s ALA 650 Cb 0.18 -2.11 0.04 0.00 0.00 0.00 0.00 23.12 21.24 3rpb s ALA 650 CO 0.30 -1.49 0.35 -1.59 0.00 0.00 0.00 175.76 173.33 3rpb s LYS 651 N -5.19 0.37 0.00 0.00 -2.85 -1.26 -4.60 119.74 106.21 3rpb s LYS 651 Ca 0.66 0.58 0.00 0.00 -1.00 0.00 0.00 55.97 56.21 3rpb s LYS 651 Cb -0.06 0.08 0.00 0.00 -2.06 0.00 0.00 37.83 35.79 3rpb s LYS 651 CO 0.45 -0.10 0.00 0.41 0.10 0.00 0.00 175.35 176.21 3rpb n GLY 652 N 3.52 2.09 0.45 0.59 0.00 -1.26 -4.71 105.19 105.87 3rpb n GLY 652 Ca -0.18 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3rpb n GLY 652 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3rpb n GLU 653 N 0.00 0.00 -0.34 1.61 0.28 -1.26 -4.54 120.64 116.39 3rpb n GLU 653 Ca 0.00 0.00 0.15 0.00 -0.16 0.00 0.00 57.16 57.15 3rpb n GLU 653 Cb 0.00 -0.72 0.35 0.00 1.43 0.00 0.00 31.44 32.49 3rpb n GLU 653 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3rpb h ARG 654 N 0.00 0.61 -0.05 3.44 3.08 -1.87 -0.98 114.38 118.62 3rpb h ARG 654 Ca 0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3rpb h ARG 654 Cb 0.83 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 3rpb h ARG 654 CO 0.00 0.41 -0.05 1.25 -1.07 0.00 0.00 179.97 180.51 3rpb h LEU 655 N 0.63 0.12 0.00 3.04 5.85 -1.81 -2.37 115.31 120.77 3rpb h LEU 655 Ca 0.60 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3rpb h LEU 655 Cb 1.06 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3rpb h LEU 655 CO -0.44 0.59 0.00 0.29 -0.34 0.00 0.00 178.44 178.54 3rpb n LYS 656 N -4.75 0.00 -0.09 1.25 5.02 -0.41 0.25 118.16 119.43 3rpb n LYS 656 Ca -0.08 0.84 -0.06 0.00 -2.02 0.00 0.00 58.31 56.99 3rpb n LYS 656 Cb 0.29 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 3rpb n LYS 656 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3rpb h HIS 657 N 0.00 -0.27 0.00 2.13 2.76 -1.58 0.46 115.15 118.64 3rpb h HIS 657 Ca 0.00 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 3rpb h HIS 657 Cb 0.00 0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.13 3rpb h HIS 657 CO -0.59 -0.19 0.00 1.87 -1.30 0.00 0.00 177.93 177.73 3rpb n TRP 658 N -5.30 0.00 0.02 5.26 -0.00 -0.89 -2.44 117.44 114.08 3rpb n TRP 658 Ca 0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.38 3rpb n TRP 658 Cb 0.22 -0.24 -0.08 0.00 -0.00 0.00 0.00 31.31 31.20 3rpb n TRP 658 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 177.69 176.77 3rpb h TYR 659 N 0.00 -1.33 -1.60 5.87 5.03 0.33 0.45 116.97 125.73 3rpb h TYR 659 Ca 0.00 0.05 0.49 0.00 2.58 0.00 0.00 58.73 61.84 3rpb h TYR 659 Cb 0.00 0.59 -0.10 0.00 1.55 0.00 0.00 36.73 38.77 3rpb h TYR 659 CO 0.10 -0.46 1.10 1.05 -1.32 0.00 0.00 178.16 178.63 3rpb h GLU 660 N -0.52 0.03 -0.45 1.82 4.11 -0.05 2.22 114.58 121.75 3rpb h GLU 660 Ca 0.02 -0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.43 3rpb h GLU 660 Cb 0.58 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3rpb h GLU 660 CO -0.33 0.02 0.21 0.00 0.07 0.00 0.00 179.01 178.98 3rpb h LEU 662 N 0.58 0.00 0.07 0.00 4.07 0.39 0.74 115.31 121.16 3rpb h LEU 662 Ca 0.15 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.93 3rpb h LEU 662 Cb 0.12 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.86 3rpb h LEU 662 CO -0.02 0.00 -0.90 0.07 -1.08 0.00 0.00 178.44 176.51 3rpb h LYS 663 N 0.00 0.15 -1.19 1.13 2.10 -0.98 -3.34 116.57 114.44 3rpb h LYS 663 Ca 0.31 -0.26 -0.51 0.00 -2.00 0.00 0.00 60.65 58.19 3rpb h LYS 663 Cb 1.34 0.10 -0.23 0.00 -0.90 0.00 0.00 32.23 32.54 3rpb h LYS 663 CO -0.00 1.12 0.65 0.09 -2.00 0.00 0.00 179.45 179.31 3rpb n ASN 664 N -4.23 6.60 0.00 7.07 4.13 0.14 -4.77 115.26 124.20 3rpb n ASN 664 Ca -0.20 -3.44 0.00 0.00 1.68 0.00 0.00 54.58 52.62 3rpb n ASN 664 Cb 0.74 -0.97 0.00 0.00 -1.54 0.00 0.00 39.78 38.01 3rpb n ASN 664 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3rpb n LYS 665 N -0.44 0.00 0.12 3.52 5.02 0.24 0.15 118.16 126.77 3rpb n LYS 665 Ca 0.48 0.89 0.18 0.00 -2.02 0.00 0.00 58.31 57.84 3rpb n LYS 665 Cb 0.75 -1.37 0.61 0.00 -0.02 0.00 0.00 35.03 35.00 3rpb n LYS 665 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 3rpb h ASP 666 N 0.00 0.00 -3.02 4.39 2.03 -1.76 -2.36 116.42 115.69 3rpb h ASP 666 Ca 0.00 0.00 -0.61 0.00 -0.73 0.00 0.00 57.03 55.69 3rpb h ASP 666 Cb 0.00 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 38.43 3rpb h ASP 666 CO 0.00 0.00 -0.27 -0.54 -1.03 0.00 0.00 179.24 177.40 3rpb s LYS 667 N -4.36 3.93 0.28 4.15 1.02 0.39 -4.95 119.74 120.20 3rpb s LYS 667 Ca -0.03 0.26 -0.23 0.00 0.02 0.00 0.00 55.97 55.99 3rpb s LYS 667 Cb 0.11 -3.27 -0.09 0.00 -0.52 0.00 0.00 37.83 34.06 3rpb s LYS 667 CO 0.39 0.58 0.84 0.21 -0.92 0.00 0.00 175.35 176.45 3rpb s LYS 668 N -0.65 4.42 0.21 1.68 2.20 -1.26 -4.54 119.74 121.80 3rpb s LYS 668 Ca 0.21 1.11 0.10 0.00 -0.36 0.00 0.00 55.97 57.03 3rpb s LYS 668 Cb -0.15 -2.82 -0.05 0.00 -1.51 0.00 0.00 37.83 33.30 3rpb s LYS 668 CO 0.10 0.33 -0.19 0.42 -0.36 0.00 0.00 175.35 175.65 3rpb s ILE 669 N -1.58 2.05 -0.20 5.43 1.01 0.70 -4.93 121.20 123.67 3rpb s ILE 669 Ca 0.47 -2.12 -0.16 0.00 0.00 0.00 0.00 60.65 58.84 3rpb s ILE 669 Cb -0.17 -2.04 0.06 0.00 0.01 0.00 0.00 42.46 40.31 3rpb s ILE 669 CO 0.22 -0.37 0.52 -1.83 0.00 0.00 0.00 174.94 173.49 3rpb s GLU 670 N -3.14 0.57 0.21 2.79 -1.05 -1.26 0.66 118.70 117.49 3rpb s GLU 670 Ca 0.21 0.82 -0.16 0.00 -0.15 0.00 0.00 54.97 55.70 3rpb s GLU 670 Cb -0.05 0.19 0.02 0.00 -0.44 0.00 0.00 34.13 33.85 3rpb s GLU 670 CO 0.09 -0.11 0.50 1.03 0.95 0.00 0.00 175.26 177.73 3rpb s ARG 671 N 0.78 1.42 -0.17 -4.83 1.81 -0.37 -4.98 118.95 112.60 3rpb s ARG 671 Ca -0.04 -0.98 -0.07 0.00 -1.72 0.00 0.00 55.73 52.91 3rpb s ARG 671 Cb -0.05 0.50 -0.04 0.00 -0.45 0.00 0.00 34.95 34.91 3rpb s ARG 671 CO -0.06 -0.60 0.07 -1.58 -0.68 0.00 0.00 175.30 172.46 3rpb s TRP 672 N -3.92 3.29 -0.11 -0.53 0.52 -1.26 -0.87 118.94 116.06 3rpb s TRP 672 Ca 0.13 0.15 0.03 0.00 0.02 0.00 0.00 56.10 56.42 3rpb s TRP 672 Cb -0.01 -2.05 -0.01 0.00 -1.15 0.00 0.00 33.47 30.25 3rpb s TRP 672 CO 0.01 0.25 -0.20 -1.01 0.02 0.00 0.00 176.95 176.01 3rpb s HIS 673 N 0.15 2.65 -0.47 -1.98 3.76 -0.96 -4.97 115.29 113.45 3rpb s HIS 673 Ca 0.05 -0.90 -0.29 0.00 -0.15 0.00 0.00 55.06 53.77 3rpb s HIS 673 Cb -0.12 -1.76 0.02 0.00 1.11 0.00 0.00 32.58 31.83 3rpb s HIS 673 CO 0.00 -0.34 1.31 -0.65 -0.85 0.00 0.00 174.74 174.21 3rpb s GLN 674 N 0.33 3.57 0.06 1.40 -0.21 -1.26 -1.82 119.66 121.73 3rpb s GLN 674 Ca -0.16 0.67 -0.36 0.00 0.02 0.00 0.00 55.36 55.53 3rpb s GLN 674 Cb -0.17 -4.00 -0.16 0.00 1.00 0.00 0.00 33.01 29.67 3rpb s GLN 674 CO 0.08 -1.59 1.44 1.28 -2.12 0.00 0.00 175.29 174.38 3rpb n LEU 675 N 8.62 2.03 -4.37 2.90 4.77 -0.12 -4.71 117.00 126.12 3rpb n LEU 675 Ca 0.14 1.10 -0.20 0.00 -0.03 0.00 0.00 56.01 57.02 3rpb n LEU 675 Cb 0.49 -1.23 -0.10 0.00 -2.33 0.00 0.00 43.42 40.24 3rpb n LEU 675 CO 0.71 -0.82 -0.45 -1.10 -1.33 0.00 0.00 177.39 174.40 3rpb s GLN 676 N 0.96 1.39 -0.28 3.23 -0.21 0.64 -4.57 119.66 120.82 3rpb s GLN 676 Ca 0.85 -1.61 -0.13 0.00 0.02 0.00 0.00 55.36 54.49 3rpb s GLN 676 Cb -0.91 -1.26 -0.04 0.00 1.00 0.00 0.00 33.01 31.80 3rpb s GLN 676 CO 0.47 0.22 0.30 -0.80 -2.12 0.00 0.00 175.29 173.36 3rpb s ASN 677 N -3.30 6.16 0.00 5.90 -0.87 -1.26 0.45 114.94 122.01 3rpb s ASN 677 Ca 0.23 0.14 0.00 0.00 -1.57 0.00 0.00 52.86 51.66 3rpb s ASN 677 Cb -0.02 -2.17 0.00 0.00 -0.02 0.00 0.00 41.25 39.04 3rpb s ASN 677 CO 0.08 -0.14 0.00 -0.62 -2.57 0.00 0.00 177.10 173.85 3rpb n GLU 678 N 5.23 0.00 -3.28 -0.60 -0.58 -1.26 -4.99 120.64 115.17 3rpb n GLU 678 Ca -0.11 0.18 -0.06 0.00 -0.42 0.00 0.00 57.16 56.75 3rpb n GLU 678 Cb 0.51 -0.61 -0.05 0.00 -0.57 0.00 0.00 31.44 30.72 3rpb n GLU 678 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3rpb s ASN 679 N -2.80 -0.01 0.00 1.62 2.47 -1.26 -5.23 114.94 109.74 3rpb s ASN 679 Ca 0.00 -0.23 0.30 0.00 0.42 0.00 0.00 52.86 53.35 3rpb s ASN 679 Cb 0.00 1.29 1.56 0.00 -1.45 0.00 0.00 41.25 42.65 3rpb s ASN 679 CO 0.00 -0.34 2.03 0.00 -3.72 0.00 0.00 177.10 175.07