#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 3.05 3.18 -0.13 0.00 -0.54 -1.50 105.19 109.24 3rpb n GLY 542 Ca 0.00 -1.59 -0.25 0.00 0.00 0.00 0.00 46.02 44.18 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 -2.04 1.40 -0.11 1.61 1.02 0.13 -1.23 119.74 120.53 3rpb s LYS 543 Ca 0.00 -0.67 0.03 0.00 0.02 0.00 0.00 55.97 55.35 3rpb s LYS 543 Cb 0.00 -1.38 0.00 0.00 -0.52 0.00 0.00 37.83 35.94 3rpb s LYS 543 CO 0.00 0.37 -0.23 -1.50 -0.92 0.00 0.00 175.35 173.08 3rpb s ILE 544 N -0.48 2.00 -0.13 2.17 -1.16 -0.65 0.14 121.20 123.09 3rpb s ILE 544 Ca 0.07 -0.97 -0.29 0.00 -0.51 0.00 0.00 60.65 58.94 3rpb s ILE 544 Cb -0.07 -1.74 -0.01 0.00 0.61 0.00 0.00 42.46 41.25 3rpb s ILE 544 CO -0.00 0.54 1.02 -0.22 -2.81 0.00 0.00 174.94 173.47 3rpb s LEU 545 N 0.49 4.21 -0.03 8.50 2.96 0.52 -1.54 118.68 133.80 3rpb s LEU 545 Ca -0.16 1.51 0.05 0.00 -0.22 0.00 0.00 54.13 55.31 3rpb s LEU 545 Cb -0.17 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 3rpb s LEU 545 CO 0.06 -0.50 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.73 3rpb s VAL 546 N 2.29 1.37 -0.17 1.68 1.01 -0.02 -1.69 120.40 124.87 3rpb s VAL 546 Ca 0.48 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.75 3rpb s VAL 546 Cb -0.18 -1.16 0.01 0.00 0.00 0.00 0.00 36.38 35.05 3rpb s VAL 546 CO 0.15 0.39 -0.19 -0.94 0.00 0.00 0.00 175.10 174.52 3rpb s SER 547 N -0.18 3.26 0.30 3.32 1.04 0.26 -1.40 113.70 120.31 3rpb s SER 547 Ca 0.01 -0.60 0.06 0.00 0.48 0.00 0.00 55.95 55.91 3rpb s SER 547 Cb -0.09 -1.50 -0.02 0.00 0.10 0.00 0.00 66.02 64.51 3rpb s SER 547 CO 0.01 0.03 0.38 -0.76 0.98 0.00 0.00 173.24 173.87 3rpb s LEU 548 N 1.13 3.97 0.00 2.42 1.43 0.25 0.17 118.68 128.05 3rpb s LEU 548 Ca 0.01 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 3rpb s LEU 548 Cb -0.14 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.45 3rpb s LEU 548 CO -0.08 -0.29 0.00 0.80 0.23 0.00 0.00 176.35 177.02 3rpb n MET 549 N -1.48 0.00 -4.36 1.70 1.56 -0.31 0.85 117.12 115.08 3rpb n MET 549 Ca -0.03 0.00 -0.34 0.00 -0.27 0.00 0.00 57.70 57.06 3rpb n MET 549 Cb 0.58 0.00 -0.11 0.00 2.15 0.00 0.00 33.22 35.84 3rpb n MET 549 CO 0.00 0.00 0.00 -0.47 -0.73 0.00 0.00 175.97 174.77 3rpb s TYR 550 N 0.00 3.07 -1.00 1.12 5.04 -0.92 0.22 117.35 124.88 3rpb s TYR 550 Ca 0.00 -0.18 -0.09 0.00 -2.44 0.00 0.00 57.07 54.36 3rpb s TYR 550 Cb 0.00 -1.94 0.25 0.00 0.35 0.00 0.00 41.96 40.62 3rpb s TYR 550 CO 0.00 0.06 0.96 0.45 -1.34 0.00 0.00 175.55 175.68 3rpb s SER 551 N 0.17 6.90 0.40 4.32 0.15 0.31 -2.92 113.70 123.02 3rpb s SER 551 Ca -0.01 -3.39 0.20 0.00 0.70 0.00 0.00 55.95 53.45 3rpb s SER 551 Cb -0.13 -2.15 1.16 0.00 -1.71 0.00 0.00 66.02 63.19 3rpb s SER 551 CO 0.02 -0.33 1.73 0.71 1.20 0.00 0.00 173.24 176.57 3rpb h THR 552 N 4.04 0.43 0.25 6.45 1.35 -1.92 0.60 112.91 124.11 3rpb h THR 552 Ca 0.15 -0.11 0.01 0.00 -0.55 0.00 0.00 66.41 65.91 3rpb h THR 552 Cb 0.90 0.07 -0.03 0.00 -1.73 0.00 0.00 68.15 67.36 3rpb h THR 552 CO 0.92 0.06 -0.38 -0.61 -0.25 0.00 0.00 175.52 175.25 3rpb h GLN 553 N 0.33 -0.68 0.00 4.72 5.75 -1.93 -0.60 115.11 122.71 3rpb h GLN 553 Ca 0.65 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 59.20 3rpb h GLN 553 Cb 1.73 0.15 0.00 0.00 1.07 0.00 0.00 27.48 30.43 3rpb h GLN 553 CO -0.35 -0.45 0.00 1.96 -2.65 0.00 0.00 178.83 177.34 3rpb h GLN 554 N -0.70 0.00 -3.38 1.69 1.08 -1.19 -3.46 115.11 109.14 3rpb h GLN 554 Ca -0.00 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.01 3rpb h GLN 554 Cb 0.68 0.00 0.07 0.00 -0.05 0.00 0.00 27.48 28.17 3rpb h GLN 554 CO -0.15 0.00 -0.33 0.41 -0.95 0.00 0.00 178.83 177.81 3rpb n GLY 555 N 0.40 0.21 3.72 3.46 0.00 0.18 -5.03 105.19 108.13 3rpb n GLY 555 Ca 0.03 -0.23 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.24 0.29 0.33 -0.02 0.00 -1.11 -4.14 107.32 99.42 3rpb s GLY 556 Ca 0.23 -0.65 0.02 0.00 0.00 0.00 0.00 44.72 44.32 3rpb s GLY 556 CO 0.35 -0.38 0.50 -2.27 0.00 0.00 0.00 173.10 171.30 3rpb s LEU 557 N -2.99 4.06 -0.10 0.66 2.96 -0.88 -0.53 118.68 121.85 3rpb s LEU 557 Ca 0.17 0.29 -0.00 0.00 -0.22 0.00 0.00 54.13 54.37 3rpb s LEU 557 Cb -0.03 -3.14 0.02 0.00 0.50 0.00 0.00 46.19 43.54 3rpb s LEU 557 CO 0.09 -0.28 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.13 3rpb s ILE 558 N -2.24 0.98 -0.21 6.68 -1.09 0.58 0.15 121.20 126.05 3rpb s ILE 558 Ca 0.39 -0.27 -0.04 0.00 -2.23 0.00 0.00 60.65 58.50 3rpb s ILE 558 Cb -0.09 -0.99 -0.01 0.00 -1.58 0.00 0.00 42.46 39.78 3rpb s ILE 558 CO 0.34 0.35 -0.04 -0.69 -1.23 0.00 0.00 174.94 173.68 3rpb s VAL 559 N 1.58 3.49 -0.19 2.92 1.01 -1.07 -1.16 120.40 126.98 3rpb s VAL 559 Ca 0.02 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 3rpb s VAL 559 Cb -0.13 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 3rpb s VAL 559 CO -0.06 0.43 -0.06 -0.83 0.00 0.00 0.00 175.10 174.58 3rpb s GLY 560 N 1.26 1.60 -0.60 4.51 0.00 0.45 0.26 107.32 114.80 3rpb s GLY 560 Ca 0.03 -1.07 -0.12 0.00 0.00 0.00 0.00 44.72 43.57 3rpb s GLY 560 CO -0.01 0.24 0.51 -0.42 0.00 0.00 0.00 173.10 173.42 3rpb s ILE 561 N 1.10 4.83 0.00 0.90 -1.09 0.43 0.89 121.20 128.27 3rpb s ILE 561 Ca 0.01 -2.00 0.00 0.00 -2.23 0.00 0.00 60.65 56.43 3rpb s ILE 561 Cb -0.15 -4.09 0.00 0.00 -1.58 0.00 0.00 42.46 36.64 3rpb s ILE 561 CO -0.01 -0.88 0.29 -0.38 -1.23 0.00 0.00 174.94 172.73 3rpb n ILE 562 N 4.63 0.00 -3.91 2.92 -0.00 -0.68 0.21 119.36 122.52 3rpb n ILE 562 Ca -0.03 0.62 -0.10 0.00 -0.00 0.00 0.00 62.75 63.24 3rpb n ILE 562 Cb 0.42 -1.28 -0.01 0.00 -0.00 0.00 0.00 39.64 38.77 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 -1.01 1.97 0.16 0.38 1.70 -1.23 0.26 118.95 121.18 3rpb s ARG 563 Ca 0.00 -1.40 0.05 0.00 -0.47 0.00 0.00 55.73 53.90 3rpb s ARG 563 Cb 0.00 0.56 -0.05 0.00 -0.57 0.00 0.00 34.95 34.89 3rpb s ARG 563 CO 0.00 -0.88 -0.09 0.00 -1.08 0.00 0.00 175.30 173.25 3rpb s VAL 565 N -3.32 0.05 -1.10 0.00 -7.23 0.37 -3.76 120.40 105.41 3rpb s VAL 565 Ca 0.18 -0.43 -0.13 0.00 -1.81 0.00 0.00 61.98 59.79 3rpb s VAL 565 Cb 0.03 -0.30 -0.04 0.00 0.56 0.00 0.00 36.38 36.63 3rpb s VAL 565 CO 0.02 -0.24 0.85 1.41 -0.31 0.00 0.00 175.10 176.83 3rpb n HIS 566 N 2.13 -2.18 -3.39 2.82 8.25 -1.16 0.21 115.22 121.91 3rpb n HIS 566 Ca -0.19 0.67 -0.34 0.00 -0.26 0.00 0.00 57.72 57.60 3rpb n HIS 566 Cb 0.57 -3.83 -0.06 0.00 1.12 0.00 0.00 29.99 27.79 3rpb n HIS 566 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3rpb s LEU 567 N -5.96 4.27 0.56 2.41 1.43 -0.91 -1.47 118.68 119.02 3rpb s LEU 567 Ca 0.44 1.01 -0.19 0.00 -1.03 0.00 0.00 54.13 54.36 3rpb s LEU 567 Cb -0.11 -3.41 -0.05 0.00 0.03 0.00 0.00 46.19 42.65 3rpb s LEU 567 CO 0.80 0.04 1.17 0.00 0.23 0.00 0.00 176.35 178.59 3rpb s ALA 568 N -1.59 2.63 -0.30 4.21 0.00 -0.56 -4.78 121.76 121.37 3rpb s ALA 568 Ca 0.41 0.92 -0.10 0.00 0.00 0.00 0.00 51.96 53.19 3rpb s ALA 568 Cb -0.14 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 3rpb s ALA 568 CO 0.20 -0.95 0.15 0.00 0.00 0.00 0.00 175.76 175.15 3rpb s ALA 569 N -1.68 3.30 -0.20 0.00 0.00 -1.26 -4.38 121.76 117.54 3rpb s ALA 569 Ca 0.75 -1.33 0.17 0.00 0.00 0.00 0.00 51.96 51.55 3rpb s ALA 569 Cb -0.27 -2.37 0.07 0.00 0.00 0.00 0.00 23.12 20.54 3rpb s ALA 569 CO 0.30 -0.82 1.32 0.52 0.00 0.00 0.00 175.76 177.08 3rpb h MET 570 N 8.35 0.00 -6.81 0.00 2.86 -1.72 -3.45 114.93 114.16 3rpb h MET 570 Ca -0.33 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 56.82 3rpb h MET 570 Cb 1.15 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.84 3rpb h MET 570 CO 0.61 0.34 0.04 -0.51 1.06 0.00 0.00 176.91 178.45 3rpb s ASP 571 N -6.21 6.33 0.00 1.22 1.01 -1.06 -4.96 116.67 113.00 3rpb s ASP 571 Ca 0.03 0.86 0.22 0.00 0.71 0.00 0.00 52.55 54.37 3rpb s ASP 571 Cb 0.07 -2.21 1.30 0.00 1.01 0.00 0.00 42.92 43.09 3rpb s ASP 571 CO 0.75 -0.47 1.71 0.00 0.21 0.00 0.00 175.17 177.38 3rpb n ALA 572 N -1.89 2.30 0.78 5.23 0.00 -1.26 -2.46 120.51 123.20 3rpb n ALA 572 Ca -0.00 -0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.43 3rpb n ALA 572 Cb 0.55 -1.36 0.37 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.05 0.51 0.00 0.00 4.13 -1.26 -4.92 115.26 112.67 3rpb n ASN 573 Ca 0.16 0.28 0.00 0.00 1.68 0.00 0.00 54.58 56.70 3rpb n ASN 573 Cb 0.09 -0.27 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 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 1.40 0.69 0.00 7.41 0.00 -1.03 -5.06 105.19 108.60 3rpb n GLY 574 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.05 0.00 -3.86 1.61 4.02 -1.26 -4.51 117.16 111.10 3rpb n TYR 575 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.79 3rpb n TYR 575 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.33 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 -0.89 0.24 -0.48 7.72 0.01 -1.26 -1.84 113.70 117.20 3rpb s SER 576 Ca 0.00 -1.27 0.08 0.00 1.31 0.00 0.00 55.95 56.07 3rpb s SER 576 Cb 0.00 0.83 0.36 0.00 0.21 0.00 0.00 66.02 67.42 3rpb s SER 576 CO 0.00 -1.64 0.92 0.47 0.41 0.00 0.00 173.24 173.40 3rpb n ASP 577 N -1.50 3.34 -4.76 2.44 9.92 -1.25 0.12 116.55 124.85 3rpb n ASP 577 Ca -0.07 -3.44 -0.36 0.00 -0.53 0.00 0.00 54.79 50.39 3rpb n ASP 577 Cb 0.60 -0.56 0.02 0.00 -0.64 0.00 0.00 41.12 40.54 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 -3.19 3.19 0.09 -0.24 0.04 -1.20 0.23 135.00 133.92 3rpb s PRO 578 Ca 0.45 1.79 -0.08 0.00 0.04 0.00 0.00 61.00 63.20 3rpb s PRO 578 Cb 0.33 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.83 3rpb s PRO 578 CO -0.12 -1.02 0.17 -0.59 0.04 0.00 0.00 177.00 175.48 3rpb s PHE 579 N -1.61 0.20 -0.10 0.56 -0.71 0.69 -0.69 117.98 116.32 3rpb s PHE 579 Ca 0.74 -0.65 -0.00 0.00 -1.04 0.00 0.00 56.93 55.98 3rpb s PHE 579 Cb -0.29 -0.10 -0.02 0.00 -1.21 0.00 0.00 43.02 41.40 3rpb s PHE 579 CO 0.33 -0.53 -0.09 0.08 -1.34 0.00 0.00 175.22 173.67 3rpb s VAL 580 N -3.87 3.49 -0.01 -2.49 1.01 -1.26 -0.59 120.40 116.68 3rpb s VAL 580 Ca 0.06 -0.53 0.07 0.00 0.00 0.00 0.00 61.98 61.57 3rpb s VAL 580 Cb 0.05 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 3rpb s VAL 580 CO -0.11 0.55 -0.21 -0.54 0.00 0.00 0.00 175.10 174.80 3rpb s LYS 581 N -0.19 2.20 -0.06 2.72 1.02 0.32 0.17 119.74 125.92 3rpb s LYS 581 Ca 0.02 -0.88 0.04 0.00 0.02 0.00 0.00 55.97 55.16 3rpb s LYS 581 Cb -0.13 -2.17 0.00 0.00 -0.52 0.00 0.00 37.83 35.01 3rpb s LYS 581 CO 0.03 0.57 -0.17 -0.51 -0.92 0.00 0.00 175.35 174.36 3rpb s LEU 582 N -0.85 1.85 -0.06 3.17 1.02 -0.97 -0.23 118.68 122.60 3rpb s LEU 582 Ca 0.11 -0.37 0.01 0.00 0.02 0.00 0.00 54.13 53.90 3rpb s LEU 582 Cb -0.10 -1.00 0.02 0.00 0.02 0.00 0.00 46.19 45.13 3rpb s LEU 582 CO 0.01 0.11 -0.06 0.86 0.02 0.00 0.00 176.35 177.29 3rpb s TRP 583 N 0.31 1.02 -0.27 0.29 -0.11 -0.93 0.14 118.94 119.39 3rpb s TRP 583 Ca -0.10 -0.37 -0.03 0.00 1.22 0.00 0.00 56.10 56.82 3rpb s TRP 583 Cb -0.14 -0.87 0.03 0.00 -1.50 0.00 0.00 33.47 30.98 3rpb s TRP 583 CO 0.04 -0.28 -0.01 -1.17 -4.62 0.00 0.00 176.95 170.90 3rpb s LEU 584 N 1.14 3.51 0.30 5.86 2.96 -1.14 0.18 118.68 131.48 3rpb s LEU 584 Ca -0.07 -0.91 -0.07 0.00 -0.22 0.00 0.00 54.13 52.86 3rpb s LEU 584 Cb -0.14 -1.73 -0.06 0.00 0.50 0.00 0.00 46.19 44.76 3rpb s LEU 584 CO -0.01 -0.17 0.60 -0.54 -1.32 0.00 0.00 176.35 174.91 3rpb s LYS 585 N 1.36 3.71 1.08 1.98 -0.14 -0.90 -4.34 119.74 122.48 3rpb s LYS 585 Ca -0.00 0.17 -0.18 0.00 -1.36 0.00 0.00 55.97 54.60 3rpb s LYS 585 Cb -0.17 -2.59 0.25 0.00 -1.68 0.00 0.00 37.83 33.64 3rpb s LYS 585 CO -0.02 0.18 1.26 -2.14 -0.76 0.00 0.00 175.35 173.87 3rpb s PRO 586 N -3.44 -0.29 -0.67 -1.68 0.02 -1.26 -2.67 135.00 125.02 3rpb s PRO 586 Ca 0.46 -0.37 -0.26 0.00 0.02 0.00 0.00 61.00 60.85 3rpb s PRO 586 Cb -0.11 -1.73 0.04 0.00 0.02 0.00 0.00 34.50 32.72 3rpb s PRO 586 CO 0.28 -3.04 1.18 0.16 -0.33 0.00 0.00 177.00 175.25 3rpb s ASP 587 N -4.59 6.26 -0.01 2.53 -4.77 -1.26 -4.84 116.67 109.99 3rpb s ASP 587 Ca 0.74 -0.37 0.06 0.00 -3.30 0.00 0.00 52.55 49.69 3rpb s ASP 587 Cb -0.05 -2.53 -0.24 0.00 -1.09 0.00 0.00 42.92 39.02 3rpb s ASP 587 CO 0.54 -1.62 0.79 0.00 0.70 0.00 0.00 175.17 175.58 3rpb h MET 588 N 9.76 0.09 0.00 2.11 -0.00 -1.97 -3.40 114.93 121.51 3rpb h MET 588 Ca -0.27 -0.15 0.00 0.00 -0.00 0.00 0.00 59.70 59.28 3rpb h MET 588 Cb 1.06 0.06 0.00 0.00 -0.00 0.00 0.00 31.60 32.71 3rpb h MET 588 CO 1.22 0.81 0.00 0.41 -0.00 0.00 0.00 176.91 179.35 3rpb n GLY 589 N 1.59 0.41 2.57 -3.00 0.00 -1.26 -5.01 105.19 100.49 3rpb n GLY 589 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.11 0.00 0.00 1.61 0.00 -1.26 -4.72 118.16 113.68 3rpb n LYS 590 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 58.31 58.40 3rpb n LYS 590 Cb 0.11 0.00 0.45 0.00 0.00 0.00 0.00 35.03 35.59 3rpb n LYS 590 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 3rpb n LYS 591 N 0.00 0.24 -0.63 1.64 -0.00 -1.26 -3.72 118.16 114.44 3rpb n LYS 591 Ca 0.00 0.12 0.47 0.00 -0.00 0.00 0.00 58.31 58.90 3rpb n LYS 591 Cb 0.00 -1.50 0.73 0.00 -0.00 0.00 0.00 35.03 34.26 3rpb n LYS 591 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3rpb n ALA 592 N -1.30 1.68 -2.04 0.58 0.00 -1.26 -4.26 120.51 113.91 3rpb n ALA 592 Ca 0.08 0.59 -0.31 0.00 0.00 0.00 0.00 53.44 53.80 3rpb n ALA 592 Cb 0.15 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 3rpb n ALA 592 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3rpb s LYS 593 N -4.65 3.87 0.35 0.00 0.00 -1.24 -2.89 119.74 115.19 3rpb s LYS 593 Ca -0.04 0.69 -0.00 0.00 0.00 0.00 0.00 55.97 56.62 3rpb s LYS 593 Cb 0.24 -2.29 -0.00 0.00 0.00 0.00 0.00 37.83 35.78 3rpb s LYS 593 CO 0.79 -0.11 0.46 -1.01 0.00 0.00 0.00 175.35 175.48 3rpb s HIS 594 N -2.43 1.22 -0.30 1.78 3.76 0.36 -4.86 115.29 114.82 3rpb s HIS 594 Ca 0.55 -1.39 -0.11 0.00 -0.15 0.00 0.00 55.06 53.96 3rpb s HIS 594 Cb -0.10 -0.18 0.13 0.00 1.11 0.00 0.00 32.58 33.53 3rpb s HIS 594 CO 0.30 -1.13 0.66 -1.59 -0.85 0.00 0.00 174.74 172.14 3rpb s LYS 595 N -3.00 0.58 0.88 1.40 0.00 -1.25 -2.30 119.74 116.06 3rpb s LYS 595 Ca 0.32 1.42 -0.13 0.00 0.00 0.00 0.00 55.97 57.58 3rpb s LYS 595 Cb -0.00 0.81 0.15 0.00 0.00 0.00 0.00 37.83 38.78 3rpb s LYS 595 CO 0.23 -0.19 1.24 0.95 0.00 0.00 0.00 175.35 177.58 3rpb s THR 596 N 2.78 2.02 0.71 3.79 -4.23 0.46 -4.94 115.64 116.24 3rpb s THR 596 Ca -0.06 -0.04 -0.17 0.00 -1.18 0.00 0.00 61.69 60.24 3rpb s THR 596 Cb -0.11 -2.98 -0.07 0.00 1.34 0.00 0.00 72.50 70.67 3rpb s THR 596 CO -0.19 0.00 0.24 0.00 -0.54 0.00 0.00 174.62 174.13 3rpb n GLN 597 N -3.52 0.20 -3.12 3.99 10.64 -1.26 -4.42 117.38 119.89 3rpb n GLN 597 Ca 0.12 0.09 -0.39 0.00 -1.83 0.00 0.00 57.00 54.99 3rpb n GLN 597 Cb 0.60 -1.57 -0.05 0.00 -0.86 0.00 0.00 30.24 28.36 3rpb n GLN 597 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 3rpb s ILE 598 N -1.95 5.07 -1.14 -0.39 -1.09 -1.26 -4.50 121.20 115.94 3rpb s ILE 598 Ca 0.61 1.29 -0.06 0.00 -2.23 0.00 0.00 60.65 60.26 3rpb s ILE 598 Cb -0.36 -3.97 0.26 0.00 -1.58 0.00 0.00 42.46 36.81 3rpb s ILE 598 CO 0.63 0.24 1.58 0.29 -1.23 0.00 0.00 174.94 176.44 3rpb n LYS 599 N 4.03 4.16 -1.57 2.79 4.76 0.13 -5.00 118.16 127.47 3rpb n LYS 599 Ca -0.02 -4.24 -0.40 0.00 -2.87 0.00 0.00 58.31 50.77 3rpb n LYS 599 Cb 0.51 -2.64 0.02 0.00 -1.84 0.00 0.00 35.03 31.08 3rpb n LYS 599 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3rpb n LYS 600 N 2.22 1.02 -2.81 1.97 4.76 -1.26 -3.23 118.16 120.83 3rpb n LYS 600 Ca 0.30 0.37 -0.18 0.00 -2.87 0.00 0.00 58.31 55.94 3rpb n LYS 600 Cb 0.35 -1.93 0.01 0.00 -1.84 0.00 0.00 35.03 31.62 3rpb n LYS 600 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 3rpb n LYS 601 N -0.03 -0.96 -3.64 1.97 0.00 -0.05 -4.83 118.16 110.62 3rpb n LYS 601 Ca 0.11 0.59 -0.03 0.00 -0.00 0.00 0.00 58.31 58.98 3rpb n LYS 601 Cb 0.42 -1.16 -0.06 0.00 -0.00 0.00 0.00 35.03 34.23 3rpb n LYS 601 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 3rpb s THR 602 N -1.69 0.00 -0.09 0.58 -1.32 0.32 -4.84 115.64 108.60 3rpb s THR 602 Ca 0.11 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.61 3rpb s THR 602 Cb -0.01 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.94 3rpb s THR 602 CO 0.49 0.00 0.10 0.18 -2.21 0.00 0.00 174.62 173.18 3rpb n LEU 603 N 1.22 0.09 -2.60 9.08 4.77 -1.26 -4.01 117.00 124.29 3rpb n LEU 603 Ca -0.07 -0.34 -0.18 0.00 -0.03 0.00 0.00 56.01 55.39 3rpb n LEU 603 Cb 0.58 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.68 3rpb n LEU 603 CO 0.04 0.02 0.02 0.59 -1.33 0.00 0.00 177.39 176.73 3rpb n ASN 604 N -1.23 2.97 -2.52 -1.43 3.02 -1.26 -2.14 115.26 112.66 3rpb n ASN 604 Ca 0.00 -3.20 -0.08 0.00 -0.03 0.00 0.00 54.58 51.27 3rpb n ASN 604 Cb 0.05 -0.50 0.06 0.00 -0.61 0.00 0.00 39.78 38.78 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 -0.24 -0.34 -3.77 3.52 -0.04 -1.25 -4.88 135.00 128.00 3rpb n PRO 605 Ca 0.24 -0.57 -0.25 0.00 -0.04 0.00 0.00 63.50 62.88 3rpb n PRO 605 Cb 0.73 -0.37 -0.17 0.00 -0.04 0.00 0.00 33.50 33.65 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 -3.78 0.70 -0.11 0.54 2.12 -1.26 -2.97 118.70 113.93 3rpb s GLU 606 Ca 0.21 -0.08 -0.04 0.00 0.36 0.00 0.00 54.97 55.42 3rpb s GLU 606 Cb -0.01 -1.36 -0.03 0.00 0.26 0.00 0.00 34.13 32.99 3rpb s GLU 606 CO 0.14 -0.40 0.05 0.74 -0.54 0.00 0.00 175.26 175.25 3rpb h PHE 607 N 8.29 0.00 -6.10 5.30 0.04 0.34 -3.47 116.94 121.34 3rpb h PHE 607 Ca -0.19 0.00 -0.43 0.00 2.80 0.00 0.00 57.97 60.15 3rpb h PHE 607 Cb 1.12 0.00 0.04 0.00 2.20 0.00 0.00 35.95 39.32 3rpb h PHE 607 CO 0.42 0.11 -0.80 -1.71 -0.60 0.00 0.00 178.31 175.73 3rpb n ASN 608 N -4.74 -2.36 -4.58 2.17 5.15 0.57 -4.91 115.26 106.56 3rpb n ASN 608 Ca -0.02 -0.78 -0.34 0.00 -0.60 0.00 0.00 54.58 52.83 3rpb n ASN 608 Cb 0.09 -4.13 -0.11 0.00 -0.53 0.00 0.00 39.78 35.10 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 -6.11 3.36 -0.31 1.20 0.41 0.20 -4.92 118.70 112.54 3rpb s GLU 609 Ca 0.19 -0.48 -0.06 0.00 -0.41 0.00 0.00 54.97 54.22 3rpb s GLU 609 Cb -0.09 -2.85 0.03 0.00 -1.78 0.00 0.00 34.13 29.43 3rpb s GLU 609 CO 0.81 0.44 0.07 -1.21 -0.49 0.00 0.00 175.26 174.88 3rpb s GLU 610 N -0.17 2.84 0.58 1.61 2.02 -1.26 0.16 118.70 124.48 3rpb s GLU 610 Ca 0.04 -1.02 0.02 0.00 0.02 0.00 0.00 54.97 54.03 3rpb s GLU 610 Cb -0.13 -3.35 0.06 0.00 0.10 0.00 0.00 34.13 30.81 3rpb s GLU 610 CO 0.02 -0.53 0.81 -0.06 0.02 0.00 0.00 175.26 175.52 3rpb s PHE 611 N 1.43 2.43 -0.10 1.61 0.40 0.72 -4.93 117.98 119.54 3rpb s PHE 611 Ca 0.00 -0.17 -0.04 0.00 -0.60 0.00 0.00 56.93 56.12 3rpb s PHE 611 Cb -0.18 -2.73 0.05 0.00 0.51 0.00 0.00 43.02 40.67 3rpb s PHE 611 CO 0.02 -1.06 0.20 0.12 0.70 0.00 0.00 175.22 175.20 3rpb s PHE 612 N -2.81 -0.27 0.16 0.36 5.36 -1.26 -2.61 117.98 116.92 3rpb s PHE 612 Ca 0.60 0.73 0.04 0.00 -0.96 0.00 0.00 56.93 57.33 3rpb s PHE 612 Cb -0.09 -0.15 -0.04 0.00 -0.34 0.00 0.00 43.02 42.41 3rpb s PHE 612 CO 0.39 -0.28 0.24 0.71 -1.46 0.00 0.00 175.22 174.81 3rpb s TYR 613 N 2.15 3.36 -0.82 10.12 1.51 0.41 -4.94 117.35 129.13 3rpb s TYR 613 Ca 0.00 0.06 0.02 0.00 -1.01 0.00 0.00 57.07 56.14 3rpb s TYR 613 Cb -0.12 -1.60 0.31 0.00 -0.11 0.00 0.00 41.96 40.44 3rpb s TYR 613 CO -0.07 0.51 1.27 -3.47 -1.11 0.00 0.00 175.55 172.68 3rpb n ASP 614 N -0.55 5.57 -4.17 2.29 -0.08 -1.26 -2.07 116.55 116.27 3rpb n ASP 614 Ca -0.08 -3.58 -0.20 0.00 -1.51 0.00 0.00 54.79 49.42 3rpb n ASP 614 Cb 0.54 -0.90 -0.13 0.00 2.34 0.00 0.00 41.12 42.97 3rpb n ASP 614 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 3rpb s ILE 615 N -3.68 1.19 0.16 5.18 1.10 -1.26 -5.00 121.20 118.89 3rpb s ILE 615 Ca 0.41 -1.12 -0.30 0.00 -0.51 0.00 0.00 60.65 59.13 3rpb s ILE 615 Cb 0.18 -1.09 -0.07 0.00 0.15 0.00 0.00 42.46 41.63 3rpb s ILE 615 CO -0.06 -0.03 0.99 -0.54 -2.11 0.00 0.00 174.94 173.19 3rpb s LYS 616 N -1.32 4.71 0.27 3.50 1.02 -1.26 -3.76 119.74 122.90 3rpb s LYS 616 Ca 0.02 1.53 -0.02 0.00 0.02 0.00 0.00 55.97 57.52 3rpb s LYS 616 Cb -0.09 -3.33 0.59 0.00 -0.52 0.00 0.00 37.83 34.48 3rpb s LYS 616 CO 0.02 0.25 1.65 1.25 -0.92 0.00 0.00 175.35 177.60 3rpb h HIS 617 N 5.12 0.24 -0.10 3.18 -0.00 -1.94 1.12 115.15 122.78 3rpb h HIS 617 Ca -0.44 0.05 0.03 0.00 -0.00 0.00 0.00 60.37 60.01 3rpb h HIS 617 Cb 1.21 0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 28.64 3rpb h HIS 617 CO 0.63 -0.18 0.20 0.77 -0.00 0.00 0.00 177.93 179.35 3rpb h SER 618 N 0.20 0.00 0.00 3.26 0.02 -2.01 -1.09 113.55 113.94 3rpb h SER 618 Ca 0.49 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 61.13 3rpb h SER 618 Cb 0.92 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.40 3rpb h SER 618 CO -0.62 0.00 -2.20 0.47 -1.14 0.00 0.00 176.83 173.34 3rpb n ASP 619 N -3.39 0.62 -0.08 3.07 8.00 0.32 -4.64 116.55 120.46 3rpb n ASP 619 Ca -0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 3rpb n ASP 619 Cb 0.29 0.99 -0.02 0.00 -0.02 0.00 0.00 41.12 42.36 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 -2.63 -0.20 -0.30 0.64 4.77 0.23 -0.69 117.00 118.82 3rpb n LEU 620 Ca -0.27 0.89 -0.05 0.00 -0.03 0.00 0.00 56.01 56.55 3rpb n LEU 620 Cb 1.05 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.79 3rpb n LEU 620 CO 0.38 -0.55 0.39 0.00 -1.33 0.00 0.00 177.39 176.28 3rpb n ALA 621 N -2.92 -0.30 0.32 -1.18 0.00 -1.24 0.28 120.51 115.47 3rpb n ALA 621 Ca 0.00 0.68 0.21 0.00 0.00 0.00 0.00 53.44 54.33 3rpb n ALA 621 Cb 0.05 -0.20 1.08 0.00 0.00 0.00 0.00 19.45 20.37 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 -7.28 0.00 1.57 -1.20 -2.82 116.57 106.84 3rpb h LYS 622 Ca 0.18 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.48 3rpb h LYS 622 Cb 0.37 0.00 0.17 0.00 0.08 0.00 0.00 32.23 32.85 3rpb h LYS 622 CO -0.71 0.00 0.19 0.15 -0.57 0.00 0.00 179.45 178.51 3rpb s LYS 623 N -4.01 0.73 -0.26 3.15 -0.14 0.81 -4.80 119.74 115.21 3rpb s LYS 623 Ca -0.03 0.99 -0.03 0.00 -1.36 0.00 0.00 55.97 55.53 3rpb s LYS 623 Cb 0.12 -1.73 0.10 0.00 -1.68 0.00 0.00 37.83 34.63 3rpb s LYS 623 CO 0.43 -2.65 0.16 -1.12 -0.76 0.00 0.00 175.35 171.41 3rpb s SER 624 N -3.05 2.84 -0.02 2.83 0.01 -1.09 -3.44 113.70 111.78 3rpb s SER 624 Ca 0.65 -1.00 -0.30 0.00 1.31 0.00 0.00 55.95 56.61 3rpb s SER 624 Cb -0.21 -0.12 -0.03 0.00 0.21 0.00 0.00 66.02 65.88 3rpb s SER 624 CO 0.59 -0.41 0.98 -0.22 0.41 0.00 0.00 173.24 174.59 3rpb s LEU 625 N 2.17 4.35 -0.59 2.44 2.96 0.36 -2.12 118.68 128.25 3rpb s LEU 625 Ca 0.08 1.63 -0.06 0.00 -0.22 0.00 0.00 54.13 55.56 3rpb s LEU 625 Cb -0.16 -3.56 0.15 0.00 0.50 0.00 0.00 46.19 43.13 3rpb s LEU 625 CO -0.30 -0.29 0.43 -0.62 -1.32 0.00 0.00 176.35 174.25 3rpb s ASP 626 N 1.02 5.57 -0.62 3.68 2.15 0.48 0.27 116.67 129.23 3rpb s ASP 626 Ca 0.51 -2.50 -0.23 0.00 0.43 0.00 0.00 52.55 50.76 3rpb s ASP 626 Cb -0.20 -1.94 0.06 0.00 -0.30 0.00 0.00 42.92 40.53 3rpb s ASP 626 CO 0.26 -0.50 0.97 -0.63 -0.17 0.00 0.00 175.17 175.10 3rpb s ILE 627 N 0.47 4.32 0.03 4.11 1.09 0.62 -2.19 121.20 129.65 3rpb s ILE 627 Ca 0.13 -0.05 0.09 0.00 -1.10 0.00 0.00 60.65 59.71 3rpb s ILE 627 Cb -0.20 -4.64 -0.03 0.00 -1.06 0.00 0.00 42.46 36.53 3rpb s ILE 627 CO -0.04 -1.34 -0.25 -0.44 -0.10 0.00 0.00 174.94 172.78 3rpb s SER 628 N 3.33 3.29 -0.22 3.58 0.01 0.68 0.15 113.70 124.51 3rpb s SER 628 Ca 0.26 -0.54 -0.04 0.00 1.31 0.00 0.00 55.95 56.95 3rpb s SER 628 Cb -0.15 -0.37 -0.00 0.00 0.21 0.00 0.00 66.02 65.71 3rpb s SER 628 CO 0.14 0.27 -0.05 -0.69 0.41 0.00 0.00 173.24 173.32 3rpb s VAL 629 N -0.80 3.31 0.07 3.43 1.01 0.53 0.12 120.40 128.07 3rpb s VAL 629 Ca 0.12 -0.55 0.09 0.00 0.00 0.00 0.00 61.98 61.64 3rpb s VAL 629 Cb -0.10 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 3rpb s VAL 629 CO 0.02 0.40 -0.22 0.26 0.00 0.00 0.00 175.10 175.56 3rpb s TRP 630 N 1.46 2.44 -0.27 5.22 0.52 0.24 -1.18 118.94 127.38 3rpb s TRP 630 Ca 0.05 -0.33 -0.25 0.00 0.02 0.00 0.00 56.10 55.59 3rpb s TRP 630 Cb -0.14 -1.39 0.00 0.00 -1.15 0.00 0.00 33.47 30.79 3rpb s TRP 630 CO -0.04 0.25 0.87 0.34 0.02 0.00 0.00 176.95 178.39 3rpb s ASP 631 N -1.59 6.82 0.87 2.95 -1.08 0.33 -0.22 116.67 124.75 3rpb s ASP 631 Ca 0.14 0.96 -0.11 0.00 -0.52 0.00 0.00 52.55 53.02 3rpb s ASP 631 Cb -0.10 -2.45 0.11 0.00 -1.46 0.00 0.00 42.92 39.02 3rpb s ASP 631 CO 0.05 -0.60 1.09 -0.47 0.52 0.00 0.00 175.17 175.76 3rpb s TYR 632 N 3.01 2.38 -0.25 -5.34 6.14 0.62 0.99 117.35 124.90 3rpb s TYR 632 Ca 0.36 1.33 -0.15 0.00 0.64 0.00 0.00 57.07 59.25 3rpb s TYR 632 Cb -0.15 -3.13 0.07 0.00 0.42 0.00 0.00 41.96 39.17 3rpb s TYR 632 CO 0.10 -2.25 0.61 0.34 0.64 0.00 0.00 175.55 174.98 3rpb s ASP 633 N -3.42 -0.81 0.06 4.32 -1.08 -1.25 -4.33 116.67 110.18 3rpb s ASP 633 Ca 0.63 1.33 -0.19 0.00 -0.52 0.00 0.00 52.55 53.80 3rpb s ASP 633 Cb -0.18 1.21 -0.07 0.00 -1.46 0.00 0.00 42.92 42.43 3rpb s ASP 633 CO 0.57 -0.23 0.55 0.27 0.52 0.00 0.00 175.17 176.85 3rpb s ILE 634 N 1.45 4.77 0.00 4.11 -0.00 -1.26 -3.92 121.20 126.35 3rpb s ILE 634 Ca -0.09 1.18 0.00 0.00 -0.00 0.00 0.00 60.65 61.74 3rpb s ILE 634 Cb -0.06 -3.88 0.00 0.00 -0.00 0.00 0.00 42.46 38.52 3rpb s ILE 634 CO -0.16 0.56 0.00 0.61 -0.00 0.00 0.00 174.94 175.94 3rpb n GLY 635 N 1.74 2.84 0.00 6.27 0.00 -1.26 -4.92 105.19 109.86 3rpb n GLY 635 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.45 1.61 5.02 -1.25 -5.18 118.16 115.92 3rpb n LYS 636 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 3rpb n LYS 636 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.06 3rpb n LYS 636 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3rpb n SER 637 N -0.92 0.02 -1.47 4.39 7.64 -1.26 -4.70 113.62 117.32 3rpb n SER 637 Ca 0.00 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.77 3rpb n SER 637 Cb 0.00 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 3rpb n SER 637 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3rpb n ASN 638 N -3.20 0.48 -4.07 6.43 3.02 -1.26 -3.83 115.26 112.82 3rpb n ASN 638 Ca 0.04 -0.73 -0.08 0.00 -0.03 0.00 0.00 54.58 53.77 3rpb n ASN 638 Cb 0.14 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.20 3rpb n ASN 638 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3rpb s ASP 639 N -0.87 0.52 -0.35 6.41 1.11 0.28 -4.94 116.67 118.82 3rpb s ASP 639 Ca 0.00 -0.85 -0.17 0.00 0.18 0.00 0.00 52.55 51.71 3rpb s ASP 639 Cb 0.00 0.15 -0.01 0.00 1.07 0.00 0.00 42.92 44.14 3rpb s ASP 639 CO 0.00 -0.49 0.47 -0.47 1.18 0.00 0.00 175.17 175.87 3rpb s TYR 640 N -3.11 3.19 -0.21 4.23 6.14 -1.26 0.12 117.35 126.45 3rpb s TYR 640 Ca 0.01 0.13 -0.06 0.00 0.64 0.00 0.00 57.07 57.79 3rpb s TYR 640 Cb 0.02 -2.85 -0.20 0.00 0.42 0.00 0.00 41.96 39.35 3rpb s TYR 640 CO -0.07 -0.51 0.01 -0.89 0.64 0.00 0.00 175.55 174.74 3rpb n ILE 641 N 5.37 1.61 0.00 3.14 5.41 -0.67 -4.86 119.36 129.36 3rpb n ILE 641 Ca -0.06 -0.51 0.00 0.00 1.00 0.00 0.00 62.75 63.18 3rpb n ILE 641 Cb 0.49 -1.67 0.00 0.00 -0.71 0.00 0.00 39.64 37.75 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 1.93 3.48 0.00 7.39 0.00 -0.32 -4.81 105.19 112.85 3rpb n GLY 642 Ca -0.41 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.18 2.74 3.52 -0.02 0.00 0.86 0.20 105.19 111.30 3rpb n GLY 643 Ca 0.00 -1.09 -0.14 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.02 3.82 -0.40 0.00 -0.21 -1.26 -0.27 119.66 121.31 3rpb s GLN 645 Ca -0.03 0.26 0.01 0.00 0.02 0.00 0.00 55.36 55.63 3rpb s GLN 645 Cb -0.04 -3.07 0.14 0.00 1.00 0.00 0.00 33.01 31.04 3rpb s GLN 645 CO 0.03 0.60 0.22 -0.51 -2.12 0.00 0.00 175.29 173.51 3rpb s LEU 646 N -1.62 1.94 -0.02 2.90 1.43 0.77 -4.83 118.68 119.25 3rpb s LEU 646 Ca 0.30 -2.43 0.01 0.00 -1.03 0.00 0.00 54.13 50.99 3rpb s LEU 646 Cb -0.15 -0.76 0.01 0.00 0.03 0.00 0.00 46.19 45.32 3rpb s LEU 646 CO 0.16 -0.29 -0.04 -0.83 0.23 0.00 0.00 176.35 175.58 3rpb s GLY 647 N 0.68 0.32 0.66 -3.19 0.00 -1.26 0.14 107.32 104.66 3rpb s GLY 647 Ca 0.18 -0.11 0.30 0.00 0.00 0.00 0.00 44.72 45.09 3rpb s GLY 647 CO 0.01 0.12 1.94 1.19 0.00 0.00 0.00 173.10 176.36 3rpb h ILE 648 N 5.56 0.05 0.00 0.90 2.10 -1.52 0.83 117.51 125.43 3rpb h ILE 648 Ca -0.34 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.60 3rpb h ILE 648 Cb 1.17 0.68 0.00 0.00 -1.09 0.00 0.00 36.82 37.58 3rpb h ILE 648 CO 0.49 0.00 0.00 -0.24 -1.08 0.00 0.00 178.15 177.32 3rpb n SER 649 N -3.00 0.00 -3.91 2.19 2.88 -1.26 -4.79 113.62 105.73 3rpb n SER 649 Ca -0.01 -0.36 -0.30 0.00 -1.33 0.00 0.00 58.87 56.87 3rpb n SER 649 Cb 0.39 -0.14 0.21 0.00 -0.75 0.00 0.00 64.21 63.92 3rpb n SER 649 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3rpb n ALA 650 N -1.14 -1.56 -3.47 -1.46 0.00 0.29 -5.11 120.51 108.06 3rpb n ALA 650 Ca 0.13 -1.74 -0.12 0.00 0.00 0.00 0.00 53.44 51.71 3rpb n ALA 650 Cb 0.12 -0.09 -0.11 0.00 0.00 0.00 0.00 19.45 19.37 3rpb n ALA 650 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3rpb s LYS 651 N -5.92 0.36 0.00 0.00 -2.85 -1.26 -4.75 119.74 105.32 3rpb s LYS 651 Ca 0.76 0.58 0.00 0.00 -1.00 0.00 0.00 55.97 56.31 3rpb s LYS 651 Cb -0.02 0.06 0.00 0.00 -2.06 0.00 0.00 37.83 35.81 3rpb s LYS 651 CO 0.53 -0.10 0.00 0.41 0.10 0.00 0.00 175.35 176.29 3rpb n GLY 652 N 3.58 2.24 1.17 0.59 0.00 -1.26 -4.72 105.19 106.79 3rpb n GLY 652 Ca -0.19 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3rpb n GLY 652 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3rpb n GLU 653 N 0.00 0.00 -0.42 1.61 4.71 -1.26 -4.65 120.64 120.63 3rpb n GLU 653 Ca 0.00 0.00 0.40 0.00 -0.01 0.00 0.00 57.16 57.55 3rpb n GLU 653 Cb 0.00 -0.38 0.66 0.00 -1.01 0.00 0.00 31.44 30.71 3rpb n GLU 653 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3rpb h ARG 654 N 0.00 0.00 0.18 3.49 3.08 -1.88 1.23 114.38 120.48 3rpb h ARG 654 Ca 0.00 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.79 3rpb h ARG 654 Cb 0.59 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.67 3rpb h ARG 654 CO 0.00 0.00 -1.11 1.25 -1.07 0.00 0.00 179.97 179.04 3rpb h LEU 655 N 0.00 0.67 -0.14 3.04 5.85 -1.85 -2.56 115.31 120.32 3rpb h LEU 655 Ca 0.68 -0.92 0.03 0.00 0.84 0.00 0.00 57.88 58.52 3rpb h LEU 655 Cb 3.12 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 43.90 3rpb h LEU 655 CO -0.01 1.54 -0.08 0.11 -0.34 0.00 0.00 178.44 179.66 3rpb h LYS 656 N -0.09 -0.07 0.36 1.25 1.57 0.13 -0.44 116.57 119.28 3rpb h LYS 656 Ca -0.19 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 3rpb h LYS 656 Cb 1.87 0.02 0.00 0.00 0.08 0.00 0.00 32.23 34.20 3rpb h LYS 656 CO 0.21 -0.05 -0.17 1.25 -0.57 0.00 0.00 179.45 180.12 3rpb h HIS 657 N -0.08 -0.45 0.00 -1.35 2.76 -1.58 -2.65 115.15 111.81 3rpb h HIS 657 Ca 0.08 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 3rpb h HIS 657 Cb 0.19 0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.30 3rpb h HIS 657 CO -0.21 -0.28 0.00 1.87 -1.30 0.00 0.00 177.93 178.01 3rpb n TRP 658 N -4.21 0.00 -0.31 5.26 -0.00 -0.96 -2.62 117.44 114.60 3rpb n TRP 658 Ca -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.42 3rpb n TRP 658 Cb 0.19 -0.01 0.01 0.00 -0.00 0.00 0.00 31.31 31.51 3rpb n TRP 658 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 3rpb n TYR 659 N -0.83 -0.04 -0.31 5.87 4.19 -0.18 0.87 117.16 126.74 3rpb n TYR 659 Ca 0.00 0.97 0.16 0.00 3.31 0.00 0.00 57.90 62.34 3rpb n TYR 659 Cb 0.00 -0.76 0.31 0.00 0.49 0.00 0.00 39.34 39.39 3rpb n TYR 659 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 3rpb n GLU 660 N -5.13 -0.07 -0.33 2.98 -0.58 -1.00 0.28 120.64 116.80 3rpb n GLU 660 Ca 0.07 1.34 0.22 0.00 -0.42 0.00 0.00 57.16 58.38 3rpb n GLU 660 Cb 0.30 -2.18 0.49 0.00 -0.57 0.00 0.00 31.44 29.47 3rpb n GLU 660 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3rpb h LEU 662 N 0.42 0.84 -0.23 0.00 4.07 0.40 -1.60 115.31 119.21 3rpb h LEU 662 Ca 0.62 -0.42 -0.22 0.00 0.08 0.00 0.00 57.88 57.94 3rpb h LEU 662 Cb 1.49 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 43.00 3rpb h LEU 662 CO -0.34 1.08 -0.86 0.07 -1.08 0.00 0.00 178.44 177.31 3rpb h LYS 663 N 0.61 0.48 -2.39 1.13 2.10 -0.18 -3.33 116.57 114.99 3rpb h LYS 663 Ca 0.08 -0.46 -0.68 0.00 -2.00 0.00 0.00 60.65 57.59 3rpb h LYS 663 Cb 0.78 0.12 -0.36 0.00 -0.90 0.00 0.00 32.23 31.86 3rpb h LYS 663 CO 0.06 1.10 -0.03 0.09 -2.00 0.00 0.00 179.45 178.67 3rpb n ASN 664 N -3.81 5.12 0.00 7.07 4.13 0.47 -4.93 115.26 123.32 3rpb n ASN 664 Ca -0.06 -3.54 0.00 0.00 1.68 0.00 0.00 54.58 52.66 3rpb n ASN 664 Cb 0.79 -0.86 0.00 0.00 -1.54 0.00 0.00 39.78 38.17 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 0.55 0.00 0.29 3.52 4.01 -0.61 -2.17 118.16 123.75 3rpb n LYS 665 Ca 0.32 0.35 0.13 0.00 -0.51 0.00 0.00 58.31 58.60 3rpb n LYS 665 Cb 0.36 -1.24 0.70 0.00 -0.51 0.00 0.00 35.03 34.35 3rpb n LYS 665 CO 0.00 0.00 0.00 0.22 -1.11 0.00 0.00 177.40 176.51 3rpb h ASP 666 N 0.00 0.00 -2.87 4.39 3.58 -1.84 -2.43 116.42 117.25 3rpb h ASP 666 Ca 0.00 0.00 -0.63 0.00 0.42 0.00 0.00 57.03 56.82 3rpb h ASP 666 Cb 0.00 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 40.99 3rpb h ASP 666 CO 0.00 0.00 -0.32 -0.54 -2.88 0.00 0.00 179.24 175.50 3rpb s LYS 667 N -3.91 3.70 0.11 0.28 1.02 -0.92 -4.97 119.74 115.05 3rpb s LYS 667 Ca -0.03 0.16 -0.11 0.00 0.02 0.00 0.00 55.97 56.01 3rpb s LYS 667 Cb 0.07 -3.19 -0.06 0.00 -0.52 0.00 0.00 37.83 34.14 3rpb s LYS 667 CO 0.23 0.72 0.45 -1.59 -0.92 0.00 0.00 175.35 174.24 3rpb s LYS 668 N -1.15 3.81 -0.29 1.68 -2.85 -1.26 -4.50 119.74 115.18 3rpb s LYS 668 Ca 0.21 0.25 0.01 0.00 -1.00 0.00 0.00 55.97 55.44 3rpb s LYS 668 Cb -0.15 -2.95 0.06 0.00 -2.06 0.00 0.00 37.83 32.74 3rpb s LYS 668 CO 0.10 0.52 -0.03 0.42 0.10 0.00 0.00 175.35 176.46 3rpb s ILE 669 N -1.45 2.61 -0.09 3.79 -1.09 0.25 -4.89 121.20 120.32 3rpb s ILE 669 Ca 0.36 -1.61 -0.02 0.00 -2.23 0.00 0.00 60.65 57.14 3rpb s ILE 669 Cb -0.14 -2.57 -0.03 0.00 -1.58 0.00 0.00 42.46 38.14 3rpb s ILE 669 CO 0.19 -0.15 0.02 -1.61 -1.23 0.00 0.00 174.94 172.16 3rpb s GLU 670 N 1.15 3.04 -0.12 2.79 2.02 -1.26 0.88 118.70 127.20 3rpb s GLU 670 Ca -0.05 -0.38 -0.33 0.00 0.02 0.00 0.00 54.97 54.24 3rpb s GLU 670 Cb -0.20 -2.84 0.13 0.00 0.10 0.00 0.00 34.13 31.31 3rpb s GLU 670 CO -0.03 0.71 1.11 -0.98 0.02 0.00 0.00 175.26 176.08 3rpb s ARG 671 N -0.94 0.48 0.02 1.61 1.04 -0.49 -4.99 118.95 115.68 3rpb s ARG 671 Ca 0.14 -0.18 -0.12 0.00 -1.04 0.00 0.00 55.73 54.53 3rpb s ARG 671 Cb -0.11 0.22 -0.06 0.00 -2.04 0.00 0.00 34.95 32.96 3rpb s ARG 671 CO 0.03 -0.21 0.38 -1.58 -0.04 0.00 0.00 175.30 173.88 3rpb s TRP 672 N -2.65 3.66 -0.09 5.89 0.52 -1.26 -0.84 118.94 124.17 3rpb s TRP 672 Ca 0.08 0.88 0.05 0.00 0.02 0.00 0.00 56.10 57.13 3rpb s TRP 672 Cb -0.01 -2.21 -0.00 0.00 -1.15 0.00 0.00 33.47 30.10 3rpb s TRP 672 CO -0.06 0.60 -0.24 -1.01 0.02 0.00 0.00 176.95 176.26 3rpb s HIS 673 N -1.20 2.51 -0.66 -1.98 3.76 -0.59 -4.96 115.29 112.17 3rpb s HIS 673 Ca 0.27 -0.94 -0.27 0.00 -0.15 0.00 0.00 55.06 53.97 3rpb s HIS 673 Cb -0.15 -1.67 0.02 0.00 1.11 0.00 0.00 32.58 31.89 3rpb s HIS 673 CO 0.14 -0.35 1.34 -0.65 -0.85 0.00 0.00 174.74 174.38 3rpb s GLN 674 N 0.18 3.22 0.15 1.40 -0.21 -1.26 -1.63 119.66 121.50 3rpb s GLN 674 Ca -0.14 0.07 -0.34 0.00 0.02 0.00 0.00 55.36 54.97 3rpb s GLN 674 Cb -0.17 -4.16 -0.16 0.00 1.00 0.00 0.00 33.01 29.53 3rpb s GLN 674 CO 0.07 -2.07 1.25 1.28 -2.12 0.00 0.00 175.29 173.70 3rpb n LEU 675 N 9.55 1.71 -4.45 2.90 4.77 -0.36 -4.78 117.00 126.34 3rpb n LEU 675 Ca 0.07 1.13 -0.22 0.00 -0.03 0.00 0.00 56.01 56.96 3rpb n LEU 675 Cb 0.49 -1.23 -0.10 0.00 -2.33 0.00 0.00 43.42 40.26 3rpb n LEU 675 CO 0.71 -1.14 -0.40 -1.10 -1.33 0.00 0.00 177.39 174.13 3rpb s GLN 676 N -0.04 1.60 -0.49 3.23 -0.21 0.34 -4.61 119.66 119.48 3rpb s GLN 676 Ca 0.77 -1.78 -0.16 0.00 0.02 0.00 0.00 55.36 54.21 3rpb s GLN 676 Cb -0.87 -1.39 0.08 0.00 1.00 0.00 0.00 33.01 31.83 3rpb s GLN 676 CO 0.50 0.14 0.44 1.21 -2.12 0.00 0.00 175.29 175.45 3rpb s ASN 677 N -3.47 6.16 0.00 5.90 3.04 -1.26 -0.10 114.94 125.21 3rpb s ASN 677 Ca 0.29 -1.37 0.00 0.00 0.04 0.00 0.00 52.86 51.82 3rpb s ASN 677 Cb 0.01 -2.20 0.00 0.00 -1.54 0.00 0.00 41.25 37.52 3rpb s ASN 677 CO 0.13 -0.71 0.35 1.21 -3.04 0.00 0.00 177.10 175.04 3rpb n GLU 678 N 5.30 0.00 -4.21 0.43 2.13 -1.26 -4.88 120.64 118.14 3rpb n GLU 678 Ca -0.12 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.45 3rpb n GLU 678 Cb 0.43 -0.84 -0.07 0.00 0.27 0.00 0.00 31.44 31.23 3rpb n GLU 678 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 3rpb s ASN 679 N -1.95 4.86 0.00 4.31 3.84 -1.26 -5.21 114.94 119.53 3rpb s ASN 679 Ca 0.00 -0.44 0.00 0.00 0.21 0.00 0.00 52.86 52.63 3rpb s ASN 679 Cb 0.00 -1.05 0.00 0.00 -0.55 0.00 0.00 41.25 39.65 3rpb s ASN 679 CO 0.00 0.04 0.00 1.57 -2.79 0.00 0.00 177.10 175.92