#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 4.88 3.21 2.89 0.00 0.90 -4.57 105.19 112.51 3rpb n GLY 542 Ca 0.00 -1.73 -0.14 0.00 0.00 0.00 0.00 46.02 44.15 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 3.41 0.96 -0.06 1.61 1.02 0.62 -0.92 119.74 126.38 3rpb s LYS 543 Ca 0.00 -1.33 -0.00 0.00 0.02 0.00 0.00 55.97 54.66 3rpb s LYS 543 Cb 0.00 -0.55 0.03 0.00 -0.52 0.00 0.00 37.83 36.78 3rpb s LYS 543 CO 0.00 0.07 -0.02 -1.50 -0.92 0.00 0.00 175.35 172.98 3rpb s ILE 544 N -3.01 0.45 -0.21 2.17 -1.16 -0.68 0.14 121.20 118.89 3rpb s ILE 544 Ca 0.12 0.01 -0.29 0.00 -0.51 0.00 0.00 60.65 59.98 3rpb s ILE 544 Cb 0.01 -0.55 0.01 0.00 0.61 0.00 0.00 42.46 42.54 3rpb s ILE 544 CO -0.00 0.24 1.05 -0.22 -2.81 0.00 0.00 174.94 173.20 3rpb s LEU 545 N 1.50 4.12 -0.05 8.50 2.96 0.60 -2.31 118.68 134.00 3rpb s LEU 545 Ca -0.02 1.42 0.06 0.00 -0.22 0.00 0.00 54.13 55.36 3rpb s LEU 545 Cb -0.13 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.00 3rpb s LEU 545 CO -0.03 -0.65 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.43 3rpb s VAL 546 N 3.09 2.34 -0.22 1.68 1.01 -0.14 -1.43 120.40 126.74 3rpb s VAL 546 Ca 0.45 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 3rpb s VAL 546 Cb -0.16 -1.87 -0.00 0.00 0.00 0.00 0.00 36.38 34.35 3rpb s VAL 546 CO 0.08 0.57 -0.06 -0.94 0.00 0.00 0.00 175.10 174.75 3rpb s SER 547 N -0.37 4.16 0.21 3.32 1.04 0.48 -1.48 113.70 121.06 3rpb s SER 547 Ca 0.03 -0.42 0.04 0.00 0.48 0.00 0.00 55.95 56.08 3rpb s SER 547 Cb -0.12 -1.71 -0.03 0.00 0.10 0.00 0.00 66.02 64.26 3rpb s SER 547 CO 0.02 -0.02 0.31 -0.76 0.98 0.00 0.00 173.24 173.77 3rpb s LEU 548 N 1.46 4.27 0.00 2.42 1.43 0.46 0.25 118.68 128.96 3rpb s LEU 548 Ca 0.06 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 3rpb s LEU 548 Cb -0.14 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.26 3rpb s LEU 548 CO -0.04 -0.02 0.00 0.80 0.23 0.00 0.00 176.35 177.32 3rpb n MET 549 N -1.05 0.00 -4.07 1.70 1.56 -0.29 0.19 117.12 115.17 3rpb n MET 549 Ca -0.08 0.00 -0.34 0.00 -0.27 0.00 0.00 57.70 57.00 3rpb n MET 549 Cb 0.56 0.00 -0.10 0.00 2.15 0.00 0.00 33.22 35.83 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 3.24 -1.02 1.12 5.04 -1.03 0.24 117.35 124.93 3rpb s TYR 550 Ca 0.00 0.06 -0.05 0.00 -2.44 0.00 0.00 57.07 54.64 3rpb s TYR 550 Cb 0.00 -2.04 0.27 0.00 0.35 0.00 0.00 41.96 40.54 3rpb s TYR 550 CO 0.00 0.18 1.09 0.43 -1.34 0.00 0.00 175.55 175.91 3rpb n SER 551 N 3.37 5.27 -0.42 4.32 7.64 0.30 -2.88 113.62 131.22 3rpb n SER 551 Ca -0.17 -3.17 0.34 0.00 1.01 0.00 0.00 58.87 56.88 3rpb n SER 551 Cb 0.52 -1.22 0.63 0.00 -1.01 0.00 0.00 64.21 63.13 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 3.67 0.23 0.20 0.44 1.35 -1.94 0.65 112.91 117.51 3rpb h THR 552 Ca 0.18 -0.05 0.01 0.00 -0.55 0.00 0.00 66.41 66.00 3rpb h THR 552 Cb 0.78 0.07 -0.04 0.00 -1.73 0.00 0.00 68.15 67.23 3rpb h THR 552 CO 1.04 0.03 -0.37 -0.61 -0.25 0.00 0.00 175.52 175.36 3rpb h GLN 553 N 0.15 -0.62 0.00 4.72 5.75 -1.93 -0.20 115.11 122.98 3rpb h GLN 553 Ca 0.76 0.04 0.00 0.00 -0.15 0.00 0.00 58.65 59.30 3rpb h GLN 553 Cb 2.35 0.14 0.00 0.00 1.07 0.00 0.00 27.48 31.05 3rpb h GLN 553 CO -0.34 -0.42 0.00 1.96 -2.65 0.00 0.00 178.83 177.38 3rpb h GLN 554 N -0.65 0.00 -3.18 1.69 1.08 -0.40 -3.46 115.11 110.19 3rpb h GLN 554 Ca 0.01 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.04 3rpb h GLN 554 Cb 0.64 0.00 0.06 0.00 -0.05 0.00 0.00 27.48 28.14 3rpb h GLN 554 CO -0.17 0.00 -0.30 0.41 -0.95 0.00 0.00 178.83 177.82 3rpb n GLY 555 N 0.48 0.27 3.65 3.46 0.00 0.16 -5.03 105.19 108.17 3rpb n GLY 555 Ca 0.03 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.22 -0.35 0.43 -0.02 0.00 -1.17 -4.26 107.32 98.73 3rpb s GLY 556 Ca 0.21 0.08 -0.05 0.00 0.00 0.00 0.00 44.72 44.97 3rpb s GLY 556 CO 0.31 0.03 0.71 -2.27 0.00 0.00 0.00 173.10 171.89 3rpb s LEU 557 N -2.84 3.77 -0.11 0.66 2.96 -0.50 -0.54 118.68 122.08 3rpb s LEU 557 Ca 0.06 0.83 0.01 0.00 -0.22 0.00 0.00 54.13 54.82 3rpb s LEU 557 Cb -0.04 -3.75 0.02 0.00 0.50 0.00 0.00 46.19 42.92 3rpb s LEU 557 CO -0.03 -0.47 -0.13 -0.63 -1.32 0.00 0.00 176.35 173.77 3rpb s ILE 558 N -2.55 1.37 -0.18 6.68 -1.09 0.65 0.17 121.20 126.24 3rpb s ILE 558 Ca 0.46 -0.55 -0.02 0.00 -2.23 0.00 0.00 60.65 58.31 3rpb s ILE 558 Cb -0.10 -1.27 -0.00 0.00 -1.58 0.00 0.00 42.46 39.50 3rpb s ILE 558 CO 0.40 0.42 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.74 3rpb s VAL 559 N 1.12 3.01 -0.27 2.92 1.01 -1.11 -1.13 120.40 125.96 3rpb s VAL 559 Ca -0.04 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 3rpb s VAL 559 Cb -0.14 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.93 3rpb s VAL 559 CO -0.03 0.48 0.00 -0.83 0.00 0.00 0.00 175.10 174.72 3rpb s GLY 560 N 1.09 1.69 -0.79 4.51 0.00 0.69 0.27 107.32 114.78 3rpb s GLY 560 Ca 0.00 -1.43 -0.19 0.00 0.00 0.00 0.00 44.72 43.10 3rpb s GLY 560 CO -0.02 0.57 0.95 -0.42 0.00 0.00 0.00 173.10 174.17 3rpb s ILE 561 N 1.41 4.82 0.00 0.90 -1.09 0.47 0.18 121.20 127.89 3rpb s ILE 561 Ca 0.02 -1.37 0.00 0.00 -2.23 0.00 0.00 60.65 57.06 3rpb s ILE 561 Cb -0.17 -4.65 0.00 0.00 -1.58 0.00 0.00 42.46 36.06 3rpb s ILE 561 CO -0.01 -1.34 0.27 -0.38 -1.23 0.00 0.00 174.94 172.25 3rpb n ILE 562 N 5.35 0.00 -3.90 2.92 -0.00 -0.52 0.26 119.36 123.47 3rpb n ILE 562 Ca 0.10 0.61 -0.10 0.00 -0.00 0.00 0.00 62.75 63.35 3rpb n ILE 562 Cb 0.47 -1.28 -0.00 0.00 -0.00 0.00 0.00 39.64 38.82 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 -1.03 2.09 0.09 0.38 1.70 -1.22 0.26 118.95 121.21 3rpb s ARG 563 Ca 0.00 -1.49 0.02 0.00 -0.47 0.00 0.00 55.73 53.78 3rpb s ARG 563 Cb 0.00 0.57 -0.04 0.00 -0.57 0.00 0.00 34.95 34.91 3rpb s ARG 563 CO 0.00 -0.94 -0.07 0.00 -1.08 0.00 0.00 175.30 173.21 3rpb s VAL 565 N -3.46 0.04 -0.88 0.00 -7.23 0.36 -3.64 120.40 105.58 3rpb s VAL 565 Ca 0.10 -0.31 -0.05 0.00 -1.81 0.00 0.00 61.98 59.92 3rpb s VAL 565 Cb 0.04 -0.47 0.01 0.00 0.56 0.00 0.00 36.38 36.51 3rpb s VAL 565 CO -0.04 -0.17 0.66 1.57 -0.31 0.00 0.00 175.10 176.80 3rpb n HIS 566 N 2.05 -1.67 -2.04 2.82 -0.00 -1.22 0.23 115.22 115.39 3rpb n HIS 566 Ca -0.18 0.56 -0.32 0.00 0.46 0.00 0.00 57.72 58.24 3rpb n HIS 566 Cb 0.57 -3.45 0.00 0.00 -0.12 0.00 0.00 29.99 27.00 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 -4.80 3.44 0.80 0.27 1.43 -0.75 -0.07 118.68 118.99 3rpb s LEU 567 Ca 0.33 1.68 -0.12 0.00 -1.03 0.00 0.00 54.13 54.98 3rpb s LEU 567 Cb -0.14 -4.51 0.07 0.00 0.03 0.00 0.00 46.19 41.63 3rpb s LEU 567 CO 0.40 -1.03 1.12 0.00 0.23 0.00 0.00 176.35 177.07 3rpb s ALA 568 N -2.67 2.40 -0.18 4.21 0.00 -1.26 -4.74 121.76 119.52 3rpb s ALA 568 Ca 0.60 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.20 3rpb s ALA 568 Cb -0.13 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 19.96 3rpb s ALA 568 CO 0.40 -1.66 -0.19 0.00 0.00 0.00 0.00 175.76 174.32 3rpb s ALA 569 N -3.30 2.25 -0.16 0.00 0.00 -1.26 -4.18 121.76 115.11 3rpb s ALA 569 Ca 0.61 -1.18 0.19 0.00 0.00 0.00 0.00 51.96 51.57 3rpb s ALA 569 Cb -0.13 -1.17 -0.11 0.00 0.00 0.00 0.00 23.12 21.71 3rpb s ALA 569 CO 0.53 -0.39 0.85 -1.33 0.00 0.00 0.00 175.76 175.42 3rpb n MET 570 N 4.64 0.62 -1.87 0.00 2.81 -0.35 -4.78 117.12 118.20 3rpb n MET 570 Ca -0.20 0.16 -0.29 0.00 -1.81 0.00 0.00 57.70 55.56 3rpb n MET 570 Cb 0.50 -1.79 0.08 0.00 -0.71 0.00 0.00 33.22 31.30 3rpb n MET 570 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3rpb s ASP 571 N -5.56 4.72 0.02 7.83 1.11 -0.84 -4.97 116.67 118.98 3rpb s ASP 571 Ca -0.03 0.90 0.28 0.00 0.18 0.00 0.00 52.55 53.89 3rpb s ASP 571 Cb 0.09 -1.49 1.08 0.00 1.07 0.00 0.00 42.92 43.67 3rpb s ASP 571 CO 0.81 -1.78 1.83 0.00 1.18 0.00 0.00 175.17 177.21 3rpb n ALA 572 N -3.26 2.50 1.05 5.23 0.00 -1.26 -3.13 120.51 121.65 3rpb n ALA 572 Ca 0.08 -0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.53 3rpb n ALA 572 Cb 0.60 -1.42 0.59 0.00 0.00 0.00 0.00 19.45 19.22 3rpb n ALA 572 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3rpb n ASN 573 N -1.59 0.07 0.00 0.00 5.15 -1.26 -4.89 115.26 112.74 3rpb n ASN 573 Ca 0.07 0.32 0.00 0.00 -0.60 0.00 0.00 54.58 54.37 3rpb n ASN 573 Cb 0.35 -0.38 0.00 0.00 -0.53 0.00 0.00 39.78 39.22 3rpb n ASN 573 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3rpb n GLY 574 N 1.47 0.85 0.00 8.20 0.00 -1.18 -5.07 105.19 109.46 3rpb n GLY 574 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.23 -0.01 -3.85 1.61 4.02 -1.26 -4.52 117.16 110.92 3rpb n TYR 575 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 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 -0.74 0.03 -0.52 7.72 0.01 -1.25 -1.21 113.70 117.73 3rpb s SER 576 Ca 0.00 -1.05 0.06 0.00 1.31 0.00 0.00 55.95 56.26 3rpb s SER 576 Cb 0.00 0.80 0.36 0.00 0.21 0.00 0.00 66.02 67.39 3rpb s SER 576 CO 0.00 -1.56 0.97 0.47 0.41 0.00 0.00 173.24 173.53 3rpb n ASP 577 N -1.16 4.16 -4.77 2.44 9.92 -1.25 0.14 116.55 126.02 3rpb n ASP 577 Ca -0.06 -3.61 -0.40 0.00 -0.53 0.00 0.00 54.79 50.19 3rpb n ASP 577 Cb 0.60 -0.54 -0.02 0.00 -0.64 0.00 0.00 41.12 40.52 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 -3.40 4.18 0.09 -0.24 0.04 -1.20 0.26 135.00 134.74 3rpb s PRO 578 Ca 0.47 2.12 -0.01 0.00 0.04 0.00 0.00 61.00 63.62 3rpb s PRO 578 Cb 0.32 -2.90 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 3rpb s PRO 578 CO -0.14 -0.30 0.01 -0.59 0.04 0.00 0.00 177.00 176.02 3rpb s PHE 579 N -1.23 0.69 -0.07 0.56 -0.71 0.29 -1.91 117.98 115.61 3rpb s PHE 579 Ca 0.53 -1.15 0.03 0.00 -1.04 0.00 0.00 56.93 55.30 3rpb s PHE 579 Cb -0.37 -0.44 -0.02 0.00 -1.21 0.00 0.00 43.02 40.98 3rpb s PHE 579 CO 0.49 -0.44 -0.15 0.08 -1.34 0.00 0.00 175.22 173.86 3rpb s VAL 580 N -3.97 3.00 -0.10 -2.49 1.01 -1.26 -0.89 120.40 115.70 3rpb s VAL 580 Ca 0.15 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3rpb s VAL 580 Cb 0.08 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.26 3rpb s VAL 580 CO -0.04 0.57 -0.19 -0.54 0.00 0.00 0.00 175.10 174.90 3rpb s LYS 581 N -0.45 3.00 -0.06 2.72 1.02 0.31 0.87 119.74 127.16 3rpb s LYS 581 Ca 0.05 -0.79 0.06 0.00 0.02 0.00 0.00 55.97 55.31 3rpb s LYS 581 Cb -0.12 -2.41 -0.01 0.00 -0.52 0.00 0.00 37.83 34.77 3rpb s LYS 581 CO 0.02 0.29 -0.25 -0.51 -0.92 0.00 0.00 175.35 173.98 3rpb s LEU 582 N 0.10 2.09 -0.13 3.17 1.02 -0.97 -0.53 118.68 123.43 3rpb s LEU 582 Ca -0.09 -0.51 -0.04 0.00 0.02 0.00 0.00 54.13 53.51 3rpb s LEU 582 Cb -0.15 -1.38 0.06 0.00 0.02 0.00 0.00 46.19 44.74 3rpb s LEU 582 CO 0.06 0.24 0.23 0.86 0.02 0.00 0.00 176.35 177.76 3rpb s TRP 583 N -0.14 -0.34 -0.48 0.29 -0.00 -1.13 0.56 118.94 117.71 3rpb s TRP 583 Ca -0.04 0.77 -0.21 0.00 -0.00 0.00 0.00 56.10 56.61 3rpb s TRP 583 Cb -0.14 -0.14 0.04 0.00 -0.00 0.00 0.00 33.47 33.22 3rpb s TRP 583 CO 0.04 -0.37 0.70 -1.17 -0.00 0.00 0.00 176.95 176.15 3rpb s LEU 584 N 2.37 4.53 0.53 5.86 2.96 -1.24 -2.16 118.68 131.53 3rpb s LEU 584 Ca 0.03 -0.47 -0.13 0.00 -0.22 0.00 0.00 54.13 53.34 3rpb s LEU 584 Cb -0.13 -2.70 -0.06 0.00 0.50 0.00 0.00 46.19 43.81 3rpb s LEU 584 CO -0.08 -0.90 0.95 -0.54 -1.32 0.00 0.00 176.35 174.45 3rpb s LYS 585 N 3.01 3.77 -0.50 1.98 1.02 -0.86 -3.43 119.74 124.72 3rpb s LYS 585 Ca 0.23 0.73 -0.19 0.00 0.02 0.00 0.00 55.97 56.76 3rpb s LYS 585 Cb -0.15 -2.18 0.06 0.00 -0.52 0.00 0.00 37.83 35.03 3rpb s LYS 585 CO 0.18 -0.32 0.63 -1.25 -0.92 0.00 0.00 175.35 173.66 3rpb s PRO 586 N -4.46 3.13 0.00 -1.68 0.04 -1.26 -2.53 135.00 128.23 3rpb s PRO 586 Ca 0.55 -0.87 0.00 0.00 0.04 0.00 0.00 61.00 60.73 3rpb s PRO 586 Cb -0.10 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.34 3rpb s PRO 586 CO 0.40 -1.22 0.00 -0.40 0.04 0.00 0.00 177.00 175.83 3rpb n ASP 587 N 6.18 0.00 -0.02 6.66 5.68 -1.22 -4.87 116.55 128.96 3rpb n ASP 587 Ca -0.06 0.00 -0.16 0.00 -0.50 0.00 0.00 54.79 54.07 3rpb n ASP 587 Cb 0.45 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.29 3rpb n ASP 587 CO 0.00 0.00 0.00 1.15 -1.33 0.00 0.00 177.20 177.02 3rpb n MET 588 N 0.41 0.70 0.00 0.11 0.00 -1.26 -4.62 117.12 112.46 3rpb n MET 588 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 57.70 57.95 3rpb n MET 588 Cb 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 33.22 31.51 3rpb n MET 588 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3rpb n GLY 589 N 1.85 0.02 2.47 3.17 0.00 -1.26 -5.00 105.19 106.43 3rpb n GLY 589 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.02 0.00 -0.02 1.61 4.81 -1.26 -4.78 118.16 118.49 3rpb n LYS 590 Ca 0.00 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.56 3rpb n LYS 590 Cb 0.24 -0.30 0.60 0.00 0.02 0.00 0.00 35.03 35.59 3rpb n LYS 590 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3rpb n LYS 591 N -0.98 1.29 0.12 1.64 5.02 -1.26 -3.98 118.16 120.01 3rpb n LYS 591 Ca 0.00 -0.44 0.20 0.00 -2.02 0.00 0.00 58.31 56.05 3rpb n LYS 591 Cb 0.00 -1.40 0.75 0.00 -0.02 0.00 0.00 35.03 34.36 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 3.93 2.04 -2.62 7.82 0.00 -1.90 -3.42 119.26 125.11 3rpb h ALA 592 Ca 0.00 -0.01 -0.52 0.00 0.00 0.00 0.00 54.91 54.38 3rpb h ALA 592 Cb 0.21 0.03 0.12 0.00 0.00 0.00 0.00 17.79 18.14 3rpb h ALA 592 CO 0.00 -0.63 0.40 0.15 0.00 0.00 0.00 179.25 179.18 3rpb s LYS 593 N -4.56 2.66 0.25 0.00 -0.14 -1.25 -3.70 119.74 113.00 3rpb s LYS 593 Ca -0.04 1.62 -0.15 0.00 -1.36 0.00 0.00 55.97 56.04 3rpb s LYS 593 Cb 0.15 -1.91 0.00 0.00 -1.68 0.00 0.00 37.83 34.39 3rpb s LYS 593 CO 0.52 -1.41 0.53 -1.01 -0.76 0.00 0.00 175.35 173.22 3rpb s HIS 594 N -2.02 0.24 -0.29 3.18 3.76 0.19 -4.88 115.29 115.47 3rpb s HIS 594 Ca 0.72 -0.62 -0.14 0.00 -0.15 0.00 0.00 55.06 54.87 3rpb s HIS 594 Cb -0.26 0.31 0.10 0.00 1.11 0.00 0.00 32.58 33.84 3rpb s HIS 594 CO 0.40 -1.05 0.69 0.21 -0.85 0.00 0.00 174.74 174.14 3rpb s LYS 595 N -4.00 0.66 0.58 1.40 2.36 -1.25 -2.30 119.74 117.20 3rpb s LYS 595 Ca 0.20 1.27 -0.05 0.00 -2.55 0.00 0.00 55.97 54.84 3rpb s LYS 595 Cb -0.02 0.35 0.01 0.00 -1.05 0.00 0.00 37.83 37.11 3rpb s LYS 595 CO 0.09 -0.16 0.88 0.95 1.55 0.00 0.00 175.35 178.66 3rpb s THR 596 N 1.99 3.68 0.45 3.43 -4.23 0.25 -4.96 115.64 116.26 3rpb s THR 596 Ca -0.09 -0.03 -0.21 0.00 -1.18 0.00 0.00 61.69 60.18 3rpb s THR 596 Cb -0.07 -3.45 -0.13 0.00 1.34 0.00 0.00 72.50 70.19 3rpb s THR 596 CO -0.20 -0.46 0.36 0.00 -0.54 0.00 0.00 174.62 173.79 3rpb n GLN 597 N -2.54 0.36 -2.73 3.99 10.64 -1.26 -4.38 117.38 121.46 3rpb n GLN 597 Ca 0.04 0.14 -0.41 0.00 -1.83 0.00 0.00 57.00 54.93 3rpb n GLN 597 Cb 0.58 -1.37 -0.04 0.00 -0.86 0.00 0.00 30.24 28.55 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 -1.62 4.69 -1.10 -0.39 -1.09 -1.26 -4.63 121.20 115.79 3rpb s ILE 598 Ca 0.63 2.04 -0.07 0.00 -2.23 0.00 0.00 60.65 61.02 3rpb s ILE 598 Cb -0.57 -4.31 0.29 0.00 -1.58 0.00 0.00 42.46 36.29 3rpb s ILE 598 CO 0.59 0.24 1.28 0.29 -1.23 0.00 0.00 174.94 176.12 3rpb n LYS 599 N 3.33 3.97 -1.65 2.79 4.76 -0.80 -5.02 118.16 125.54 3rpb n LYS 599 Ca 0.04 -4.50 -0.40 0.00 -2.87 0.00 0.00 58.31 50.58 3rpb n LYS 599 Cb 0.50 -2.53 0.03 0.00 -1.84 0.00 0.00 35.03 31.19 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 2.07 1.38 -3.12 1.97 4.76 -1.26 -3.23 118.16 120.74 3rpb n LYS 600 Ca 0.25 0.50 -0.25 0.00 -2.87 0.00 0.00 58.31 55.95 3rpb n LYS 600 Cb 0.36 -2.22 0.02 0.00 -1.84 0.00 0.00 35.03 31.35 3rpb n LYS 600 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 3rpb n LYS 601 N -0.38 -1.30 0.00 1.97 3.00 -0.62 -4.86 118.16 115.97 3rpb n LYS 601 Ca 0.10 0.83 0.00 0.00 -0.00 0.00 0.00 58.31 59.24 3rpb n LYS 601 Cb 0.42 -1.53 0.00 0.00 0.00 0.00 0.00 35.03 33.92 3rpb n LYS 601 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 3rpb n THR 602 N -0.97 0.00 0.09 3.15 5.66 0.36 -4.84 114.28 117.73 3rpb n THR 602 Ca -0.14 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 60.87 3rpb n THR 602 Cb 0.51 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.28 3rpb n THR 602 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3rpb n LEU 603 N 0.00 0.09 -2.56 1.09 4.77 -1.26 -3.97 117.00 115.16 3rpb n LEU 603 Ca 0.00 -0.41 -0.15 0.00 -0.03 0.00 0.00 56.01 55.41 3rpb n LEU 603 Cb 0.00 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.11 3rpb n LEU 603 CO 0.00 0.02 0.03 0.59 -1.33 0.00 0.00 177.39 176.70 3rpb n ASN 604 N -1.15 2.89 -2.31 -1.43 3.02 -1.26 -1.82 115.26 113.21 3rpb n ASN 604 Ca 0.00 -3.06 -0.02 0.00 -0.03 0.00 0.00 54.58 51.47 3rpb n ASN 604 Cb 0.04 -0.48 0.02 0.00 -0.61 0.00 0.00 39.78 38.74 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 -0.33 -0.51 -3.70 3.52 -0.04 -1.24 -4.84 135.00 127.85 3rpb n PRO 605 Ca 0.22 -0.13 -0.25 0.00 -0.04 0.00 0.00 63.50 63.30 3rpb n PRO 605 Cb 0.78 -0.10 -0.17 0.00 -0.04 0.00 0.00 33.50 33.97 3rpb n PRO 605 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3rpb s GLU 606 N -3.19 0.38 -0.11 0.54 2.02 -1.26 -2.95 118.70 114.14 3rpb s GLU 606 Ca 0.05 -0.09 -0.05 0.00 0.02 0.00 0.00 54.97 54.89 3rpb s GLU 606 Cb -0.00 -1.55 -0.05 0.00 0.10 0.00 0.00 34.13 32.63 3rpb s GLU 606 CO 0.04 -0.53 0.14 0.74 0.02 0.00 0.00 175.26 175.67 3rpb h PHE 607 N 8.34 -0.01 -6.04 1.61 0.04 0.34 -3.47 116.94 117.75 3rpb h PHE 607 Ca -0.16 -0.00 -0.42 0.00 2.80 0.00 0.00 57.97 60.19 3rpb h PHE 607 Cb 1.13 0.00 0.06 0.00 2.20 0.00 0.00 35.95 39.34 3rpb h PHE 607 CO 0.32 0.17 -0.78 -1.71 -0.60 0.00 0.00 178.31 175.70 3rpb n ASN 608 N -4.75 -2.82 -4.65 2.17 2.85 0.72 -4.90 115.26 103.88 3rpb n ASN 608 Ca -0.02 -0.74 -0.35 0.00 -0.11 0.00 0.00 54.58 53.36 3rpb n ASN 608 Cb 0.09 -4.31 -0.10 0.00 1.24 0.00 0.00 39.78 36.69 3rpb n ASN 608 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3rpb s GLU 609 N -6.07 3.28 -0.29 1.20 0.41 0.26 -4.90 118.70 112.58 3rpb s GLU 609 Ca 0.23 -0.41 -0.07 0.00 -0.41 0.00 0.00 54.97 54.31 3rpb s GLU 609 Cb -0.11 -2.89 0.00 0.00 -1.78 0.00 0.00 34.13 29.35 3rpb s GLU 609 CO 0.79 0.55 0.09 -1.83 -0.49 0.00 0.00 175.26 174.37 3rpb s GLU 610 N -0.46 3.15 0.57 1.61 -1.05 -1.26 0.18 118.70 121.44 3rpb s GLU 610 Ca 0.08 -0.82 0.07 0.00 -0.15 0.00 0.00 54.97 54.16 3rpb s GLU 610 Cb -0.12 -3.39 0.08 0.00 -0.44 0.00 0.00 34.13 30.26 3rpb s GLU 610 CO 0.02 -0.42 0.79 -0.06 0.95 0.00 0.00 175.26 176.54 3rpb s PHE 611 N 1.52 1.72 -0.18 4.83 0.40 0.77 -4.94 117.98 122.10 3rpb s PHE 611 Ca 0.03 -0.57 -0.07 0.00 -0.60 0.00 0.00 56.93 55.72 3rpb s PHE 611 Cb -0.17 -2.38 0.08 0.00 0.51 0.00 0.00 43.02 41.06 3rpb s PHE 611 CO 0.03 -1.12 0.38 0.12 0.70 0.00 0.00 175.22 175.33 3rpb s PHE 612 N -2.70 -0.68 0.10 0.36 5.36 -1.26 -2.74 117.98 116.43 3rpb s PHE 612 Ca 0.61 1.36 0.02 0.00 -0.96 0.00 0.00 56.93 57.96 3rpb s PHE 612 Cb -0.07 0.22 -0.04 0.00 -0.34 0.00 0.00 43.02 42.80 3rpb s PHE 612 CO 0.39 -0.43 0.17 0.71 -1.46 0.00 0.00 175.22 174.60 3rpb s TYR 613 N 2.34 3.35 -0.88 10.12 1.51 0.46 -4.93 117.35 129.31 3rpb s TYR 613 Ca -0.03 0.12 0.01 0.00 -1.01 0.00 0.00 57.07 56.16 3rpb s TYR 613 Cb -0.11 -1.65 0.31 0.00 -0.11 0.00 0.00 41.96 40.39 3rpb s TYR 613 CO -0.12 0.54 1.34 -0.25 -1.11 0.00 0.00 175.55 175.95 3rpb n ASP 614 N 0.05 5.82 -4.15 2.29 9.92 -1.26 -1.41 116.55 127.80 3rpb n ASP 614 Ca -0.07 -3.55 -0.22 0.00 -0.53 0.00 0.00 54.79 50.42 3rpb n ASP 614 Cb 0.52 -0.99 -0.14 0.00 -0.64 0.00 0.00 41.12 39.87 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 -3.50 1.22 0.12 0.53 1.10 -1.26 -5.01 121.20 114.40 3rpb s ILE 615 Ca 0.38 -0.89 -0.30 0.00 -0.51 0.00 0.00 60.65 59.33 3rpb s ILE 615 Cb 0.15 -1.06 -0.07 0.00 0.15 0.00 0.00 42.46 41.63 3rpb s ILE 615 CO -0.03 0.16 1.21 -0.54 -2.11 0.00 0.00 174.94 173.63 3rpb s LYS 616 N -0.84 4.45 0.26 3.50 1.02 -1.26 -4.17 119.74 122.70 3rpb s LYS 616 Ca 0.04 1.83 -0.05 0.00 0.02 0.00 0.00 55.97 57.82 3rpb s LYS 616 Cb -0.07 -3.29 0.52 0.00 -0.52 0.00 0.00 37.83 34.46 3rpb s LYS 616 CO 0.01 -0.19 1.62 1.25 -0.92 0.00 0.00 175.35 177.12 3rpb h HIS 617 N 6.14 -0.02 0.00 3.18 -0.00 -1.95 1.61 115.15 124.09 3rpb h HIS 617 Ca -0.43 0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.00 3rpb h HIS 617 Cb 1.21 0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.76 3rpb h HIS 617 CO 0.65 -0.27 0.10 1.03 -0.00 0.00 0.00 177.93 179.43 3rpb h SER 618 N 0.10 0.00 0.00 3.26 0.87 -2.00 -0.79 113.55 114.99 3rpb h SER 618 Ca 0.46 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.79 3rpb h SER 618 Cb 0.84 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.76 3rpb h SER 618 CO -0.72 0.00 -1.95 0.47 -0.53 0.00 0.00 176.83 174.11 3rpb n ASP 619 N -2.34 1.48 -0.07 6.23 9.92 0.51 -4.68 116.55 127.61 3rpb n ASP 619 Ca -0.02 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.23 3rpb n ASP 619 Cb 0.13 0.95 -0.02 0.00 -0.64 0.00 0.00 41.12 41.54 3rpb n ASP 619 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3rpb n LEU 620 N -2.47 -0.18 -0.28 0.64 4.77 0.82 0.23 117.00 120.52 3rpb n LEU 620 Ca -0.21 0.90 0.06 0.00 -0.03 0.00 0.00 56.01 56.74 3rpb n LEU 620 Cb 0.90 -0.34 0.14 0.00 -2.33 0.00 0.00 43.42 41.79 3rpb n LEU 620 CO 0.30 -0.55 0.55 0.00 -1.33 0.00 0.00 177.39 176.36 3rpb n ALA 621 N -2.91 0.24 0.27 -1.18 0.00 -1.25 0.30 120.51 115.97 3rpb n ALA 621 Ca 0.00 0.87 0.15 0.00 0.00 0.00 0.00 53.44 54.46 3rpb n ALA 621 Cb 0.04 -0.54 0.74 0.00 0.00 0.00 0.00 19.45 19.69 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 -7.38 0.00 6.56 -0.51 -3.00 116.57 112.24 3rpb h LYS 622 Ca 0.40 0.00 -0.43 0.00 -1.06 0.00 0.00 60.65 59.56 3rpb h LYS 622 Cb 0.67 0.00 0.18 0.00 -0.57 0.00 0.00 32.23 32.50 3rpb h LYS 622 CO -0.80 0.09 0.16 0.15 -2.06 0.00 0.00 179.45 176.99 3rpb s LYS 623 N -3.94 -0.46 -0.25 3.15 -0.14 0.88 -4.86 119.74 114.12 3rpb s LYS 623 Ca -0.01 0.21 -0.02 0.00 -1.36 0.00 0.00 55.97 54.78 3rpb s LYS 623 Cb 0.11 -1.66 0.12 0.00 -1.68 0.00 0.00 37.83 34.72 3rpb s LYS 623 CO 0.56 -3.26 0.27 -1.54 -0.76 0.00 0.00 175.35 170.62 3rpb s SER 624 N -3.67 1.43 -0.37 2.83 1.04 -1.05 -3.83 113.70 110.08 3rpb s SER 624 Ca 0.68 -0.44 -0.29 0.00 0.48 0.00 0.00 55.95 56.38 3rpb s SER 624 Cb -0.14 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.51 3rpb s SER 624 CO 0.57 -0.36 1.12 -0.22 0.98 0.00 0.00 173.24 175.34 3rpb s LEU 625 N 2.36 3.83 -0.49 2.42 2.96 0.19 -2.03 118.68 127.92 3rpb s LEU 625 Ca 0.09 0.88 -0.11 0.00 -0.22 0.00 0.00 54.13 54.76 3rpb s LEU 625 Cb -0.15 -3.55 0.12 0.00 0.50 0.00 0.00 46.19 43.11 3rpb s LEU 625 CO -0.23 -1.03 0.39 -0.62 -1.32 0.00 0.00 176.35 173.54 3rpb s ASP 626 N 2.06 5.86 -0.45 3.68 -1.08 -0.92 0.25 116.67 126.07 3rpb s ASP 626 Ca 0.48 -1.82 -0.21 0.00 -0.52 0.00 0.00 52.55 50.48 3rpb s ASP 626 Cb -0.11 -2.08 0.03 0.00 -1.46 0.00 0.00 42.92 39.30 3rpb s ASP 626 CO 0.22 -0.73 0.64 -0.63 0.52 0.00 0.00 175.17 175.19 3rpb s ILE 627 N 1.45 4.83 0.17 4.11 1.09 0.17 -2.82 121.20 130.20 3rpb s ILE 627 Ca 0.05 0.05 0.09 0.00 -1.10 0.00 0.00 60.65 59.74 3rpb s ILE 627 Cb -0.27 -4.22 -0.04 0.00 -1.06 0.00 0.00 42.46 36.87 3rpb s ILE 627 CO 0.01 -0.62 -0.12 -0.94 -0.10 0.00 0.00 174.94 173.17 3rpb s SER 628 N 2.07 4.14 -0.10 3.58 1.04 0.31 0.12 113.70 124.85 3rpb s SER 628 Ca 0.22 -0.59 0.01 0.00 0.48 0.00 0.00 55.95 56.08 3rpb s SER 628 Cb -0.15 -0.66 0.02 0.00 0.10 0.00 0.00 66.02 65.33 3rpb s SER 628 CO 0.18 0.12 -0.13 -0.69 0.98 0.00 0.00 173.24 173.71 3rpb s VAL 629 N -1.59 1.31 0.03 5.02 1.01 0.54 0.11 120.40 126.83 3rpb s VAL 629 Ca 0.23 -0.53 0.09 0.00 0.00 0.00 0.00 61.98 61.77 3rpb s VAL 629 Cb -0.09 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 3rpb s VAL 629 CO 0.14 0.40 -0.26 0.26 0.00 0.00 0.00 175.10 175.65 3rpb s TRP 630 N 1.06 2.27 -0.54 5.22 0.52 -0.07 -1.05 118.94 126.35 3rpb s TRP 630 Ca -0.06 -0.42 -0.26 0.00 0.02 0.00 0.00 56.10 55.39 3rpb s TRP 630 Cb -0.15 -1.39 0.04 0.00 -1.15 0.00 0.00 33.47 30.82 3rpb s TRP 630 CO -0.02 0.07 1.00 0.34 0.02 0.00 0.00 176.95 178.37 3rpb s ASP 631 N -1.04 6.41 1.08 2.95 -1.08 0.67 -0.55 116.67 125.11 3rpb s ASP 631 Ca 0.11 -0.12 -0.12 0.00 -0.52 0.00 0.00 52.55 51.90 3rpb s ASP 631 Cb -0.10 -2.47 0.23 0.00 -1.46 0.00 0.00 42.92 39.12 3rpb s ASP 631 CO 0.01 -1.25 1.02 0.00 0.52 0.00 0.00 175.17 175.47 3rpb n TYR 632 N 7.64 -0.52 -3.61 -5.34 4.19 0.73 -1.02 117.16 119.25 3rpb n TYR 632 Ca 0.05 0.06 -0.02 0.00 3.31 0.00 0.00 57.90 61.30 3rpb n TYR 632 Cb 0.48 -1.81 -0.05 0.00 0.49 0.00 0.00 39.34 38.46 3rpb n TYR 632 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 3rpb s ASP 633 N -2.46 -1.02 0.20 2.98 1.01 -1.26 -4.02 116.67 112.09 3rpb s ASP 633 Ca 0.67 1.42 -0.30 0.00 0.71 0.00 0.00 52.55 55.05 3rpb s ASP 633 Cb -0.24 2.15 -0.08 0.00 1.01 0.00 0.00 42.92 45.75 3rpb s ASP 633 CO 0.63 -0.23 1.00 0.27 0.21 0.00 0.00 175.17 177.05 3rpb s ILE 634 N 2.85 4.07 -1.10 0.77 -0.00 -1.26 -3.29 121.20 123.24 3rpb s ILE 634 Ca -0.03 1.92 0.00 0.00 -0.00 0.00 0.00 60.65 62.54 3rpb s ILE 634 Cb -0.12 -4.23 0.00 0.00 -0.00 0.00 0.00 42.46 38.11 3rpb s ILE 634 CO -0.18 0.39 0.00 0.61 -0.00 0.00 0.00 174.94 175.76 3rpb n GLY 635 N 1.75 1.03 3.32 6.27 0.00 -1.26 -4.90 105.19 111.41 3rpb n GLY 635 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 3rpb n GLY 635 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3rpb n LYS 636 N -1.03 0.89 -2.36 1.61 2.85 -1.21 -5.17 118.16 113.75 3rpb n LYS 636 Ca -0.10 -2.26 -0.32 0.00 -1.05 0.00 0.00 58.31 54.58 3rpb n LYS 636 Cb 0.55 2.53 -0.02 0.00 -0.65 0.00 0.00 35.03 37.44 3rpb n LYS 636 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 3rpb s SER 637 N -2.94 6.52 0.29 -5.58 0.01 -1.26 -4.62 113.70 106.13 3rpb s SER 637 Ca 0.19 1.47 0.00 0.00 1.31 0.00 0.00 55.95 58.92 3rpb s SER 637 Cb -0.03 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.73 3rpb s SER 637 CO 0.14 -0.62 0.00 0.59 0.41 0.00 0.00 173.24 173.76 3rpb n ASN 638 N -1.79 -0.06 -3.63 2.44 3.02 -1.26 -4.41 115.26 109.57 3rpb n ASN 638 Ca 0.06 -0.26 -0.14 0.00 -0.03 0.00 0.00 54.58 54.20 3rpb n ASN 638 Cb 0.54 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.64 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 -1.11 -0.72 -0.34 6.41 1.01 -0.18 -4.94 116.67 116.80 3rpb s ASP 639 Ca 0.00 1.32 -0.27 0.00 0.71 0.00 0.00 52.55 54.32 3rpb s ASP 639 Cb 0.00 1.32 0.01 0.00 1.01 0.00 0.00 42.92 45.26 3rpb s ASP 639 CO 0.00 -0.28 0.96 -0.47 0.21 0.00 0.00 175.17 175.58 3rpb s TYR 640 N 0.19 3.13 -0.14 4.23 6.14 -1.26 0.24 117.35 129.88 3rpb s TYR 640 Ca -0.01 0.95 -0.07 0.00 0.64 0.00 0.00 57.07 58.57 3rpb s TYR 640 Cb -0.04 -3.58 -0.25 0.00 0.42 0.00 0.00 41.96 38.50 3rpb s TYR 640 CO 0.02 -0.75 0.31 -0.89 0.64 0.00 0.00 175.55 174.88 3rpb n ILE 641 N 5.85 1.75 0.00 3.14 5.41 -0.21 -4.86 119.36 130.44 3rpb n ILE 641 Ca 0.08 -0.62 0.00 0.00 1.00 0.00 0.00 62.75 63.21 3rpb n ILE 641 Cb 0.48 -1.73 0.00 0.00 -0.71 0.00 0.00 39.64 37.68 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 1.99 2.48 3.80 7.39 0.00 -0.50 -4.60 105.19 115.75 3rpb n GLY 642 Ca -0.33 -1.26 -0.05 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.28 0.71 3.15 -0.02 0.00 -0.02 0.20 105.19 107.93 3rpb n GLY 643 Ca 0.00 -1.18 -0.08 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.61 2.60 -0.36 0.00 -2.07 -1.26 0.43 119.66 115.40 3rpb s GLN 645 Ca 0.03 -0.74 -0.00 0.00 -1.82 0.00 0.00 55.36 52.83 3rpb s GLN 645 Cb 0.05 -2.56 0.13 0.00 -1.09 0.00 0.00 33.01 29.54 3rpb s GLN 645 CO -0.09 0.58 0.20 -0.51 -1.32 0.00 0.00 175.29 174.15 3rpb s LEU 646 N -1.82 1.33 0.02 2.60 1.43 0.68 -4.79 118.68 118.13 3rpb s LEU 646 Ca 0.21 -2.14 0.02 0.00 -1.03 0.00 0.00 54.13 51.19 3rpb s LEU 646 Cb -0.11 -0.54 -0.02 0.00 0.03 0.00 0.00 46.19 45.55 3rpb s LEU 646 CO 0.13 -0.32 -0.08 -0.83 0.23 0.00 0.00 176.35 175.47 3rpb s GLY 647 N 1.07 0.46 0.20 -3.19 0.00 -1.25 0.54 107.32 105.16 3rpb s GLY 647 Ca 0.16 -0.56 0.13 0.00 0.00 0.00 0.00 44.72 44.46 3rpb s GLY 647 CO -0.05 -0.56 1.40 4.51 0.00 0.00 0.00 173.10 178.40 3rpb n ILE 648 N 2.15 1.36 1.07 0.90 3.06 -1.13 -0.42 119.36 126.35 3rpb n ILE 648 Ca -0.18 0.65 0.03 0.00 -2.50 0.00 0.00 62.75 60.76 3rpb n ILE 648 Cb 0.56 -1.65 0.11 0.00 0.54 0.00 0.00 39.64 39.19 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 -1.97 1.51 -1.41 9.51 2.88 -1.26 -4.85 113.62 118.03 3rpb n SER 649 Ca -0.01 -2.07 0.00 0.00 -1.33 0.00 0.00 58.87 55.46 3rpb n SER 649 Cb 0.04 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 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 0.17 0.00 -3.61 -1.46 0.00 0.44 -5.11 120.51 110.94 3rpb n ALA 650 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.41 3rpb n ALA 650 Cb 0.27 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.61 3rpb n ALA 650 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3rpb s LYS 651 N -0.22 0.37 0.00 0.00 -0.14 -1.26 -4.75 119.74 113.74 3rpb s LYS 651 Ca 0.00 0.69 0.00 0.00 -1.36 0.00 0.00 55.97 55.30 3rpb s LYS 651 Cb 0.00 0.01 0.00 0.00 -1.68 0.00 0.00 37.83 36.16 3rpb s LYS 651 CO 0.00 -0.14 0.00 0.41 -0.76 0.00 0.00 175.35 174.86 3rpb n GLY 652 N 3.98 0.90 0.09 -3.33 0.00 -1.26 -4.42 105.19 101.15 3rpb n GLY 652 Ca -0.22 -1.07 -0.18 0.00 0.00 0.00 0.00 46.02 44.55 3rpb n GLY 652 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3rpb h GLU 653 N 0.00 0.07 -1.54 1.61 5.08 -1.98 -2.56 114.58 115.26 3rpb h GLU 653 Ca 0.00 -0.12 0.46 0.00 -1.00 0.00 0.00 59.36 58.70 3rpb h GLU 653 Cb 0.00 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 3rpb h GLU 653 CO 0.00 1.06 1.08 0.00 -1.00 0.00 0.00 179.01 180.15 3rpb h ARG 654 N -0.83 0.04 0.03 2.33 2.47 -1.87 0.13 114.38 116.69 3rpb h ARG 654 Ca -0.17 -0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.27 3rpb h ARG 654 Cb 1.28 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 29.56 3rpb h ARG 654 CO -0.04 0.03 -1.47 -0.11 0.56 0.00 0.00 179.97 178.93 3rpb n LEU 655 N -4.21 2.05 -0.02 3.04 7.94 -1.25 -3.51 117.00 121.04 3rpb n LEU 655 Ca 0.36 0.37 -0.06 0.00 -1.11 0.00 0.00 56.01 55.57 3rpb n LEU 655 Cb 1.59 -1.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.50 3rpb n LEU 655 CO 0.37 0.42 0.50 0.11 -1.11 0.00 0.00 177.39 177.69 3rpb h LYS 656 N -0.74 -0.18 0.03 1.96 1.57 -0.34 1.24 116.57 120.11 3rpb h LYS 656 Ca -0.38 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.44 3rpb h LYS 656 Cb 1.49 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.81 3rpb h LYS 656 CO -0.14 -0.12 -0.19 1.25 -0.57 0.00 0.00 179.45 179.68 3rpb h HIS 657 N -0.19 -0.49 0.00 -1.35 2.76 -1.50 -0.01 115.15 114.37 3rpb h HIS 657 Ca 0.02 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 3rpb h HIS 657 Cb 0.24 0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.42 3rpb h HIS 657 CO -0.56 -0.27 0.00 1.87 -1.30 0.00 0.00 177.93 177.67 3rpb n TRP 658 N -5.32 0.00 -0.08 5.26 -0.00 -1.05 -2.37 117.44 113.88 3rpb n TRP 658 Ca -0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 57.50 57.36 3rpb n TRP 658 Cb 0.23 -0.15 -0.06 0.00 -0.00 0.00 0.00 31.31 31.34 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 -1.00 -1.51 5.87 5.03 0.15 0.19 116.97 125.70 3rpb h TYR 659 Ca 0.00 0.05 0.45 0.00 2.58 0.00 0.00 58.73 61.81 3rpb h TYR 659 Cb 0.00 0.46 -0.08 0.00 1.55 0.00 0.00 36.73 38.66 3rpb h TYR 659 CO 0.06 -0.29 1.06 1.05 -1.32 0.00 0.00 178.16 178.72 3rpb h GLU 660 N -0.24 0.05 -0.64 1.82 4.11 -0.94 2.13 114.58 120.86 3rpb h GLU 660 Ca 0.04 -0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.43 3rpb h GLU 660 Cb 0.35 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3rpb h GLU 660 CO -0.34 0.03 0.26 0.00 0.07 0.00 0.00 179.01 179.03 3rpb h LEU 662 N 0.90 0.05 0.23 0.00 4.07 0.38 0.10 115.31 121.06 3rpb h LEU 662 Ca 0.21 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.85 3rpb h LEU 662 Cb 0.20 -0.01 0.03 0.00 1.08 0.00 0.00 40.66 41.97 3rpb h LEU 662 CO -0.02 0.03 -1.50 0.07 -1.08 0.00 0.00 178.44 175.94 3rpb h LYS 663 N 0.06 0.50 -2.83 1.13 2.10 -1.03 -3.37 116.57 113.12 3rpb h LYS 663 Ca 0.30 -0.85 -0.81 0.00 -2.00 0.00 0.00 60.65 57.29 3rpb h LYS 663 Cb 1.11 0.32 -0.28 0.00 -0.90 0.00 0.00 32.23 32.48 3rpb h LYS 663 CO -0.02 1.41 0.81 0.09 -2.00 0.00 0.00 179.45 179.74 3rpb n ASN 664 N -3.73 6.54 0.00 7.07 3.02 0.33 -4.89 115.26 123.60 3rpb n ASN 664 Ca -0.19 -3.45 0.00 0.00 -0.03 0.00 0.00 54.58 50.91 3rpb n ASN 664 Cb 1.08 -1.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 3rpb n ASN 664 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3rpb n LYS 665 N 1.14 0.00 0.26 3.52 4.01 -1.00 -2.80 118.16 123.28 3rpb n LYS 665 Ca 0.28 0.04 0.11 0.00 -0.51 0.00 0.00 58.31 58.24 3rpb n LYS 665 Cb 0.32 -1.01 0.47 0.00 -0.51 0.00 0.00 35.03 34.31 3rpb n LYS 665 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 3rpb h ASP 666 N 0.00 0.00 -3.22 4.39 5.19 -1.87 -2.72 116.42 118.19 3rpb h ASP 666 Ca 0.00 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.81 3rpb h ASP 666 Cb 0.00 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 39.41 3rpb h ASP 666 CO 0.00 0.00 -0.39 -0.54 -3.12 0.00 0.00 179.24 175.19 3rpb s LYS 667 N -4.15 4.15 0.67 3.56 1.02 -1.12 -4.95 119.74 118.92 3rpb s LYS 667 Ca -0.02 -0.03 -0.11 0.00 0.02 0.00 0.00 55.97 55.83 3rpb s LYS 667 Cb 0.07 -3.39 -0.00 0.00 -0.52 0.00 0.00 37.83 33.98 3rpb s LYS 667 CO 0.22 0.33 1.07 -1.59 -0.92 0.00 0.00 175.35 174.45 3rpb s LYS 668 N 0.23 3.07 -0.08 1.68 0.00 -1.26 -4.59 119.74 118.80 3rpb s LYS 668 Ca 0.14 0.52 -0.02 0.00 0.00 0.00 0.00 55.97 56.60 3rpb s LYS 668 Cb -0.12 -2.05 0.04 0.00 0.00 0.00 0.00 37.83 35.69 3rpb s LYS 668 CO 0.02 -0.88 0.04 0.42 0.00 0.00 0.00 175.35 174.95 3rpb s ILE 669 N -3.29 0.12 -0.14 3.79 1.01 0.52 -4.90 121.20 118.29 3rpb s ILE 669 Ca 0.57 0.15 -0.04 0.00 0.00 0.00 0.00 60.65 61.34 3rpb s ILE 669 Cb -0.11 -0.42 -0.03 0.00 0.01 0.00 0.00 42.46 41.91 3rpb s ILE 669 CO 0.52 0.11 -0.03 -1.61 0.00 0.00 0.00 174.94 173.93 3rpb s GLU 670 N 2.07 3.57 0.14 2.79 8.01 -1.26 0.17 118.70 134.19 3rpb s GLU 670 Ca 0.04 -0.49 -0.14 0.00 0.01 0.00 0.00 54.97 54.39 3rpb s GLU 670 Cb -0.13 -2.91 0.02 0.00 -4.31 0.00 0.00 34.13 26.80 3rpb s GLU 670 CO -0.05 0.32 0.37 1.03 0.01 0.00 0.00 175.26 176.95 3rpb s ARG 671 N 0.15 1.10 -0.15 1.61 1.81 -0.55 -5.00 118.95 117.92 3rpb s ARG 671 Ca -0.01 -0.84 -0.06 0.00 -1.72 0.00 0.00 55.73 53.10 3rpb s ARG 671 Cb -0.13 0.45 -0.04 0.00 -0.45 0.00 0.00 34.95 34.77 3rpb s ARG 671 CO 0.02 -0.42 0.07 -1.58 -0.68 0.00 0.00 175.30 172.72 3rpb s TRP 672 N -3.85 3.33 -0.10 -0.53 0.52 -1.26 -0.96 118.94 116.08 3rpb s TRP 672 Ca 0.06 0.22 0.04 0.00 0.02 0.00 0.00 56.10 56.44 3rpb s TRP 672 Cb 0.02 -2.00 0.00 0.00 -1.15 0.00 0.00 33.47 30.34 3rpb s TRP 672 CO -0.09 0.36 -0.23 -1.01 0.02 0.00 0.00 176.95 176.00 3rpb s HIS 673 N -0.19 2.52 -0.17 -1.98 3.76 -0.98 -4.96 115.29 113.29 3rpb s HIS 673 Ca 0.08 -1.06 -0.29 0.00 -0.15 0.00 0.00 55.06 53.64 3rpb s HIS 673 Cb -0.12 -1.69 -0.01 0.00 1.11 0.00 0.00 32.58 31.87 3rpb s HIS 673 CO 0.01 -0.44 1.23 -0.65 -0.85 0.00 0.00 174.74 174.05 3rpb s GLN 674 N 0.42 4.24 0.10 1.40 -0.21 -1.26 -1.69 119.66 122.66 3rpb s GLN 674 Ca -0.17 1.62 -0.34 0.00 0.02 0.00 0.00 55.36 56.49 3rpb s GLN 674 Cb -0.18 -3.74 -0.13 0.00 1.00 0.00 0.00 33.01 29.96 3rpb s GLN 674 CO 0.07 -0.69 1.64 1.28 -2.12 0.00 0.00 175.29 175.47 3rpb n LEU 675 N 6.53 3.12 0.00 2.90 4.77 -0.09 -4.61 117.00 129.62 3rpb n LEU 675 Ca 0.14 1.06 -0.23 0.00 -0.03 0.00 0.00 56.01 56.94 3rpb n LEU 675 Cb 0.45 -1.41 0.02 0.00 -2.33 0.00 0.00 43.42 40.16 3rpb n LEU 675 CO 0.55 -0.26 0.16 0.00 -1.33 0.00 0.00 177.39 176.51 3rpb n GLN 676 N 4.10 0.67 -4.06 3.23 10.64 0.73 -4.58 117.38 128.11 3rpb n GLN 676 Ca 0.18 -3.26 -0.32 0.00 -1.83 0.00 0.00 57.00 51.77 3rpb n GLN 676 Cb 0.29 0.17 -0.16 0.00 -0.86 0.00 0.00 30.24 29.68 3rpb n GLN 676 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 3rpb s ASN 677 N -4.26 3.67 0.00 2.61 -0.87 -1.26 -0.84 114.94 113.99 3rpb s ASN 677 Ca 0.39 -0.99 0.00 0.00 -1.57 0.00 0.00 52.86 50.70 3rpb s ASN 677 Cb -0.03 -1.43 0.00 0.00 -0.02 0.00 0.00 41.25 39.77 3rpb s ASN 677 CO 0.25 -0.11 0.00 1.21 -2.57 0.00 0.00 177.10 175.88 3rpb n GLU 678 N 4.57 0.00 -1.90 -0.60 2.13 -1.26 -5.05 120.64 118.54 3rpb n GLU 678 Ca -0.17 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.67 3rpb n GLU 678 Cb 0.46 -0.27 0.00 0.00 0.27 0.00 0.00 31.44 31.90 3rpb n GLU 678 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 3rpb n ASN 679 N -1.08 0.61 -0.47 4.31 4.05 -1.26 -5.22 115.26 116.21 3rpb n ASN 679 Ca 0.00 -0.95 0.14 0.00 0.45 0.00 0.00 54.58 54.22 3rpb n ASN 679 Cb 0.00 0.00 0.54 0.00 1.23 0.00 0.00 39.78 41.55 3rpb n ASN 679 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62