#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 2.22 2.99 5.14 0.00 -0.16 -1.18 105.19 114.19 3rpb n GLY 542 Ca 0.00 -2.04 -0.16 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.67 0.50 -0.13 1.61 1.02 0.23 -1.07 119.74 120.22 3rpb s LYS 543 Ca 0.00 -0.29 0.02 0.00 0.02 0.00 0.00 55.97 55.72 3rpb s LYS 543 Cb 0.00 -0.46 0.00 0.00 -0.52 0.00 0.00 37.83 36.85 3rpb s LYS 543 CO 0.00 0.12 -0.20 -1.50 -0.92 0.00 0.00 175.35 172.85 3rpb s ILE 544 N -0.31 2.30 -0.23 2.17 -1.16 -0.67 0.15 121.20 123.46 3rpb s ILE 544 Ca 0.01 -0.91 -0.29 0.00 -0.51 0.00 0.00 60.65 58.95 3rpb s ILE 544 Cb -0.03 -1.93 0.01 0.00 0.61 0.00 0.00 42.46 41.12 3rpb s ILE 544 CO -0.00 0.54 1.04 -0.22 -2.81 0.00 0.00 174.94 173.49 3rpb s LEU 545 N 0.67 4.11 -0.09 8.50 2.96 0.53 -1.90 118.68 133.45 3rpb s LEU 545 Ca -0.10 1.39 0.04 0.00 -0.22 0.00 0.00 54.13 55.25 3rpb s LEU 545 Cb -0.16 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 42.99 3rpb s LEU 545 CO 0.02 -0.67 -0.23 -0.69 -1.32 0.00 0.00 176.35 173.46 3rpb s VAL 546 N 3.17 1.99 -0.34 1.68 1.01 -0.94 -1.63 120.40 125.34 3rpb s VAL 546 Ca 0.44 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 3rpb s VAL 546 Cb -0.15 -1.72 0.08 0.00 0.00 0.00 0.00 36.38 34.59 3rpb s VAL 546 CO 0.07 0.55 0.07 -0.94 0.00 0.00 0.00 175.10 174.84 3rpb s SER 547 N 0.30 4.99 0.56 3.32 1.04 0.39 -1.68 113.70 122.62 3rpb s SER 547 Ca -0.17 -1.62 -0.06 0.00 0.48 0.00 0.00 55.95 54.58 3rpb s SER 547 Cb -0.17 -1.74 -0.01 0.00 0.10 0.00 0.00 66.02 64.20 3rpb s SER 547 CO 0.08 -0.36 0.88 -0.76 0.98 0.00 0.00 173.24 174.05 3rpb s LEU 548 N 1.17 3.37 0.00 2.42 1.43 0.83 0.15 118.68 128.06 3rpb s LEU 548 Ca 0.01 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 53.99 3rpb s LEU 548 Cb -0.21 -3.78 0.00 0.00 0.03 0.00 0.00 46.19 42.23 3rpb s LEU 548 CO -0.03 -0.87 0.00 0.80 0.23 0.00 0.00 176.35 176.48 3rpb n MET 549 N -2.49 0.00 -3.73 1.70 1.56 0.00 0.87 117.12 115.03 3rpb n MET 549 Ca 0.03 0.00 -0.35 0.00 -0.27 0.00 0.00 57.70 57.11 3rpb n MET 549 Cb 0.56 0.00 -0.08 0.00 2.15 0.00 0.00 33.22 35.85 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 3.38 -1.10 1.12 5.04 -1.03 0.16 117.35 124.92 3rpb s TYR 550 Ca 0.00 0.29 -0.08 0.00 -2.44 0.00 0.00 57.07 54.85 3rpb s TYR 550 Cb 0.00 -2.18 0.28 0.00 0.35 0.00 0.00 41.96 40.41 3rpb s TYR 550 CO 0.00 0.23 1.18 0.45 -1.34 0.00 0.00 175.55 176.07 3rpb n SER 551 N 3.70 5.64 -0.32 4.32 2.88 0.46 -2.49 113.62 127.81 3rpb n SER 551 Ca -0.16 -3.12 0.18 0.00 -1.33 0.00 0.00 58.87 54.44 3rpb n SER 551 Cb 0.52 -1.34 0.37 0.00 -0.75 0.00 0.00 64.21 63.01 3rpb n SER 551 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3rpb h THR 552 N 3.61 0.28 -0.65 2.46 1.35 -1.94 0.92 112.91 118.94 3rpb h THR 552 Ca 0.18 -0.08 0.13 0.00 -0.55 0.00 0.00 66.41 66.09 3rpb h THR 552 Cb 0.82 0.03 -0.10 0.00 -1.73 0.00 0.00 68.15 67.17 3rpb h THR 552 CO 1.07 0.04 0.13 -0.61 -0.25 0.00 0.00 175.52 175.91 3rpb h GLN 553 N 0.23 0.25 0.00 4.72 -0.00 -1.93 0.25 115.11 118.62 3rpb h GLN 553 Ca 0.64 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 59.27 3rpb h GLN 553 Cb 1.37 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 28.80 3rpb h GLN 553 CO -0.66 0.16 -0.20 1.96 0.00 0.00 0.00 178.83 180.09 3rpb h GLN 554 N 0.25 0.00 -2.05 1.69 4.20 0.10 -3.47 115.11 115.83 3rpb h GLN 554 Ca 0.35 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.97 3rpb h GLN 554 Cb 0.55 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.36 3rpb h GLN 554 CO -0.45 0.00 -0.15 0.41 -0.67 0.00 0.00 178.83 177.97 3rpb n GLY 555 N 1.16 0.60 3.68 3.46 0.00 0.21 -5.05 105.19 109.26 3rpb n GLY 555 Ca 0.04 -0.48 -0.09 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 -3.06 -0.25 0.41 -0.02 0.00 -1.16 -4.21 107.32 99.02 3rpb s GLY 556 Ca 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 44.72 44.77 3rpb s GLY 556 CO 0.16 -0.03 0.68 -2.27 0.00 0.00 0.00 173.10 171.63 3rpb s LEU 557 N -2.86 3.82 -0.12 0.66 2.96 -0.83 -0.40 118.68 121.91 3rpb s LEU 557 Ca 0.08 0.74 -0.00 0.00 -0.22 0.00 0.00 54.13 54.73 3rpb s LEU 557 Cb -0.04 -3.65 0.03 0.00 0.50 0.00 0.00 46.19 43.03 3rpb s LEU 557 CO -0.00 -0.43 -0.07 -0.63 -1.32 0.00 0.00 176.35 173.89 3rpb s ILE 558 N -2.51 1.01 -0.28 6.68 -1.09 0.42 0.15 121.20 125.58 3rpb s ILE 558 Ca 0.44 -0.30 -0.08 0.00 -2.23 0.00 0.00 60.65 58.49 3rpb s ILE 558 Cb -0.10 -1.04 -0.02 0.00 -1.58 0.00 0.00 42.46 39.72 3rpb s ILE 558 CO 0.40 0.35 0.10 -0.69 -1.23 0.00 0.00 174.94 173.87 3rpb s VAL 559 N 1.71 4.40 -0.42 2.92 1.01 -1.05 -0.82 120.40 128.16 3rpb s VAL 559 Ca 0.05 -0.32 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 3rpb s VAL 559 Cb -0.13 -3.16 0.06 0.00 0.00 0.00 0.00 36.38 33.16 3rpb s VAL 559 CO -0.08 0.20 0.28 -0.83 0.00 0.00 0.00 175.10 174.68 3rpb s GLY 560 N 1.60 1.98 -0.91 4.51 0.00 0.41 0.23 107.32 115.14 3rpb s GLY 560 Ca 0.05 -2.01 -0.20 0.00 0.00 0.00 0.00 44.72 42.57 3rpb s GLY 560 CO 0.05 0.96 1.16 -0.42 0.00 0.00 0.00 173.10 174.85 3rpb s ILE 561 N 1.53 4.53 0.00 0.90 -1.09 0.29 0.15 121.20 127.51 3rpb s ILE 561 Ca 0.03 -1.26 0.00 0.00 -2.23 0.00 0.00 60.65 57.19 3rpb s ILE 561 Cb -0.22 -4.82 0.00 0.00 -1.58 0.00 0.00 42.46 35.84 3rpb s ILE 561 CO 0.05 -1.58 0.28 -0.38 -1.23 0.00 0.00 174.94 172.08 3rpb n ILE 562 N 5.80 0.00 -3.79 2.92 -0.00 -0.65 0.25 119.36 123.89 3rpb n ILE 562 Ca 0.22 0.58 -0.08 0.00 -0.00 0.00 0.00 62.75 63.47 3rpb n ILE 562 Cb 0.49 -1.18 -0.02 0.00 -0.00 0.00 0.00 39.64 38.93 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 -0.85 1.67 0.26 0.38 1.70 -1.23 0.26 118.95 121.14 3rpb s ARG 563 Ca 0.00 -0.92 0.09 0.00 -0.47 0.00 0.00 55.73 54.43 3rpb s ARG 563 Cb 0.00 0.59 -0.05 0.00 -0.57 0.00 0.00 34.95 34.92 3rpb s ARG 563 CO 0.00 -0.75 -0.15 0.00 -1.08 0.00 0.00 175.30 173.32 3rpb s VAL 565 N -2.76 0.08 -1.31 0.00 -7.23 0.39 -3.55 120.40 106.02 3rpb s VAL 565 Ca 0.28 -0.64 -0.02 0.00 -1.81 0.00 0.00 61.98 59.79 3rpb s VAL 565 Cb -0.01 -0.46 0.01 0.00 0.56 0.00 0.00 36.38 36.47 3rpb s VAL 565 CO 0.12 -0.35 0.81 1.57 -0.31 0.00 0.00 175.10 176.94 3rpb n HIS 566 N 1.43 -2.06 -2.96 2.82 -0.00 -1.21 0.75 115.22 114.00 3rpb n HIS 566 Ca -0.22 0.88 -0.37 0.00 0.46 0.00 0.00 57.72 58.47 3rpb n HIS 566 Cb 0.56 -4.54 -0.06 0.00 -0.12 0.00 0.00 29.99 25.82 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 -6.69 4.36 0.55 0.27 1.43 -0.85 -0.99 118.68 116.77 3rpb s LEU 567 Ca 0.09 1.61 -0.19 0.00 -1.03 0.00 0.00 54.13 54.61 3rpb s LEU 567 Cb -0.04 -3.74 -0.05 0.00 0.03 0.00 0.00 46.19 42.38 3rpb s LEU 567 CO 0.79 0.01 1.14 0.00 0.23 0.00 0.00 176.35 178.52 3rpb s ALA 568 N -1.53 2.67 -0.30 4.21 0.00 -0.33 -4.75 121.76 121.73 3rpb s ALA 568 Ca 0.45 0.85 -0.01 0.00 0.00 0.00 0.00 51.96 53.25 3rpb s ALA 568 Cb -0.18 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 19.62 3rpb s ALA 568 CO 0.23 -0.83 -0.01 0.00 0.00 0.00 0.00 175.76 175.14 3rpb s ALA 569 N -1.75 2.78 -0.24 0.00 0.00 -1.26 -4.36 121.76 116.93 3rpb s ALA 569 Ca 0.73 -1.83 0.20 0.00 0.00 0.00 0.00 51.96 51.07 3rpb s ALA 569 Cb -0.25 -1.89 0.04 0.00 0.00 0.00 0.00 23.12 21.02 3rpb s ALA 569 CO 0.28 -1.30 1.15 0.52 0.00 0.00 0.00 175.76 176.41 3rpb h MET 570 N 7.94 0.00 -7.09 0.00 2.86 -1.86 -3.43 114.93 113.36 3rpb h MET 570 Ca -0.20 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 56.94 3rpb h MET 570 Cb 1.05 0.00 0.07 0.00 0.06 0.00 0.00 31.60 32.78 3rpb h MET 570 CO 0.52 0.13 0.43 -0.51 1.06 0.00 0.00 176.91 178.54 3rpb s ASP 571 N -5.76 5.77 0.00 1.22 1.11 -0.99 -4.89 116.67 113.13 3rpb s ASP 571 Ca 0.01 2.14 0.11 0.00 0.18 0.00 0.00 52.55 54.99 3rpb s ASP 571 Cb 0.08 -2.58 0.51 0.00 1.07 0.00 0.00 42.92 42.01 3rpb s ASP 571 CO 0.77 -1.18 1.27 0.00 1.18 0.00 0.00 175.17 177.21 3rpb n ALA 572 N -1.30 1.60 1.00 5.23 0.00 -1.26 -1.63 120.51 124.15 3rpb n ALA 572 Ca 0.11 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.64 3rpb n ALA 572 Cb 0.51 -1.17 0.49 0.00 0.00 0.00 0.00 19.45 19.28 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 -1.36 0.18 0.00 0.00 5.15 -1.26 -4.90 115.26 113.06 3rpb n ASN 573 Ca 0.04 0.24 0.00 0.00 -0.60 0.00 0.00 54.58 54.27 3rpb n ASN 573 Cb 0.10 -0.24 0.00 0.00 -0.53 0.00 0.00 39.78 39.11 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 1.50 0.75 0.00 8.20 0.00 -0.64 -5.05 105.19 109.95 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 -2.18 0.00 -3.97 1.61 4.02 -1.26 -4.54 117.16 110.83 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 -0.05 0.00 -0.02 0.00 0.00 39.34 39.27 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 -0.82 -0.12 -0.63 7.72 0.01 -1.26 -2.34 113.70 116.27 3rpb s SER 576 Ca 0.00 -0.87 0.04 0.00 1.31 0.00 0.00 55.95 56.43 3rpb s SER 576 Cb 0.00 0.62 0.34 0.00 0.21 0.00 0.00 66.02 67.18 3rpb s SER 576 CO 0.00 -1.19 1.05 0.47 0.41 0.00 0.00 173.24 173.98 3rpb n ASP 577 N -0.41 4.82 -4.77 2.44 8.00 -1.26 -0.15 116.55 125.22 3rpb n ASP 577 Ca -0.02 -3.69 -0.39 0.00 0.71 0.00 0.00 54.79 51.40 3rpb n ASP 577 Cb 0.61 -0.63 -0.01 0.00 -0.02 0.00 0.00 41.12 41.07 3rpb n ASP 577 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3rpb s PRO 578 N -3.57 4.08 0.07 -0.24 0.04 -1.23 0.25 135.00 134.40 3rpb s PRO 578 Ca 0.48 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 63.51 3rpb s PRO 578 Cb 0.27 -2.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 3rpb s PRO 578 CO -0.14 -0.35 0.04 -0.59 0.04 0.00 0.00 177.00 176.00 3rpb s PHE 579 N -1.30 0.46 -0.10 0.56 -0.71 0.21 -1.76 117.98 115.34 3rpb s PHE 579 Ca 0.55 -0.96 0.01 0.00 -1.04 0.00 0.00 56.93 55.49 3rpb s PHE 579 Cb -0.35 -0.31 -0.02 0.00 -1.21 0.00 0.00 43.02 41.13 3rpb s PHE 579 CO 0.45 -0.44 -0.11 0.08 -1.34 0.00 0.00 175.22 173.86 3rpb s VAL 580 N -3.92 3.31 -0.08 -2.49 1.01 -1.26 -0.77 120.40 116.20 3rpb s VAL 580 Ca 0.09 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.50 3rpb s VAL 580 Cb 0.07 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 3rpb s VAL 580 CO -0.09 0.55 -0.17 -0.54 0.00 0.00 0.00 175.10 174.86 3rpb s LYS 581 N -0.19 2.87 -0.03 2.72 1.02 0.29 0.17 119.74 126.58 3rpb s LYS 581 Ca 0.01 -0.75 0.05 0.00 0.02 0.00 0.00 55.97 55.30 3rpb s LYS 581 Cb -0.13 -2.42 -0.01 0.00 -0.52 0.00 0.00 37.83 34.76 3rpb s LYS 581 CO 0.03 0.39 -0.18 -0.51 -0.92 0.00 0.00 175.35 174.17 3rpb s LEU 582 N -0.14 1.96 -0.13 3.17 1.02 -1.01 -0.12 118.68 123.43 3rpb s LEU 582 Ca -0.02 -0.35 -0.04 0.00 0.02 0.00 0.00 54.13 53.74 3rpb s LEU 582 Cb -0.14 -0.97 0.07 0.00 0.02 0.00 0.00 46.19 45.17 3rpb s LEU 582 CO 0.04 0.18 0.23 0.86 0.02 0.00 0.00 176.35 177.67 3rpb s TRP 583 N -0.11 -0.33 -0.42 0.29 -0.00 -1.07 -0.17 118.94 117.13 3rpb s TRP 583 Ca -0.00 0.72 -0.19 0.00 -0.00 0.00 0.00 56.10 56.63 3rpb s TRP 583 Cb -0.10 -0.16 0.02 0.00 -0.00 0.00 0.00 33.47 33.23 3rpb s TRP 583 CO 0.01 -0.38 0.53 -1.17 -0.00 0.00 0.00 176.95 175.94 3rpb s LEU 584 N 2.37 4.67 0.32 5.86 2.96 -1.24 -1.51 118.68 132.10 3rpb s LEU 584 Ca 0.03 -0.48 -0.15 0.00 -0.22 0.00 0.00 54.13 53.31 3rpb s LEU 584 Cb -0.13 -2.55 -0.09 0.00 0.50 0.00 0.00 46.19 43.93 3rpb s LEU 584 CO -0.08 -0.66 0.74 -0.54 -1.32 0.00 0.00 176.35 174.49 3rpb s LYS 585 N 2.45 4.02 0.97 1.98 1.02 -0.27 -4.26 119.74 125.65 3rpb s LYS 585 Ca 0.17 0.69 -0.16 0.00 0.02 0.00 0.00 55.97 56.69 3rpb s LYS 585 Cb -0.16 -2.46 0.23 0.00 -0.52 0.00 0.00 37.83 34.93 3rpb s LYS 585 CO 0.16 0.17 1.10 -2.30 -0.92 0.00 0.00 175.35 173.56 3rpb n PRO 586 N -0.30 -1.89 -2.66 -1.68 -0.02 -1.26 -2.07 135.00 125.12 3rpb n PRO 586 Ca 0.03 -1.72 -0.42 0.00 -2.02 0.00 0.00 63.50 59.37 3rpb n PRO 586 Cb 0.53 -1.32 -0.03 0.00 -0.02 0.00 0.00 33.50 32.66 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 -4.83 6.41 0.02 2.55 -4.77 -1.26 -4.88 116.67 109.91 3rpb s ASP 587 Ca 0.66 -0.04 -0.17 0.00 -3.30 0.00 0.00 52.55 49.69 3rpb s ASP 587 Cb -0.04 -2.52 -0.35 0.00 -1.09 0.00 0.00 42.92 38.93 3rpb s ASP 587 CO 0.48 -1.41 0.99 0.00 0.70 0.00 0.00 175.17 175.93 3rpb h MET 588 N 9.48 0.52 0.00 2.11 -0.00 -1.97 -3.40 114.93 121.66 3rpb h MET 588 Ca -0.25 -0.87 0.00 0.00 -0.00 0.00 0.00 59.70 58.58 3rpb h MET 588 Cb 1.06 0.32 0.00 0.00 -0.00 0.00 0.00 31.60 32.98 3rpb h MET 588 CO 1.16 1.41 0.00 0.41 -0.00 0.00 0.00 176.91 179.89 3rpb n GLY 589 N 1.69 0.16 2.45 -3.00 0.00 -1.26 -5.01 105.19 100.22 3rpb n GLY 589 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.00 0.00 0.02 1.61 4.81 -1.26 -4.74 118.16 118.60 3rpb n LYS 590 Ca 0.00 0.00 0.06 0.00 -0.87 0.00 0.00 58.31 57.50 3rpb n LYS 590 Cb 0.17 0.00 0.26 0.00 0.02 0.00 0.00 35.03 35.48 3rpb n LYS 590 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 3rpb n LYS 591 N 0.00 0.03 -0.39 1.64 2.85 -1.26 -3.25 118.16 117.79 3rpb n LYS 591 Ca 0.00 0.36 0.37 0.00 -1.05 0.00 0.00 58.31 57.99 3rpb n LYS 591 Cb 0.00 -1.57 0.56 0.00 -0.65 0.00 0.00 35.03 33.38 3rpb n LYS 591 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3rpb n ALA 592 N -1.55 1.31 -1.50 0.58 0.00 -1.26 -4.39 120.51 113.70 3rpb n ALA 592 Ca 0.02 0.45 -0.33 0.00 0.00 0.00 0.00 53.44 53.58 3rpb n ALA 592 Cb 0.12 -0.78 0.05 0.00 0.00 0.00 0.00 19.45 18.84 3rpb n ALA 592 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3rpb s LYS 593 N -4.57 2.79 0.22 0.00 -0.14 -1.20 -3.68 119.74 113.16 3rpb s LYS 593 Ca -0.03 1.33 -0.18 0.00 -1.36 0.00 0.00 55.97 55.73 3rpb s LYS 593 Cb 0.18 -1.95 0.02 0.00 -1.68 0.00 0.00 37.83 34.40 3rpb s LYS 593 CO 0.61 -1.25 0.56 -1.01 -0.76 0.00 0.00 175.35 173.50 3rpb s HIS 594 N -2.44 -0.07 -0.29 3.18 3.76 0.76 -4.88 115.29 115.32 3rpb s HIS 594 Ca 0.66 -0.30 -0.02 0.00 -0.15 0.00 0.00 55.06 55.25 3rpb s HIS 594 Cb -0.19 0.43 0.18 0.00 1.11 0.00 0.00 32.58 34.10 3rpb s HIS 594 CO 0.43 -0.99 0.56 0.15 -0.85 0.00 0.00 174.74 174.04 3rpb s LYS 595 N -3.90 0.53 0.73 1.40 3.01 -1.24 -2.40 119.74 117.87 3rpb s LYS 595 Ca 0.11 0.95 -0.13 0.00 -1.01 0.00 0.00 55.97 55.89 3rpb s LYS 595 Cb -0.02 0.39 0.04 0.00 -1.01 0.00 0.00 37.83 37.23 3rpb s LYS 595 CO 0.01 -0.60 1.12 0.95 0.51 0.00 0.00 175.35 177.34 3rpb s THR 596 N 2.80 3.05 0.59 2.17 -4.23 0.44 -4.90 115.64 115.55 3rpb s THR 596 Ca 0.18 0.42 -0.18 0.00 -1.18 0.00 0.00 61.69 60.93 3rpb s THR 596 Cb -0.15 -2.89 -0.15 0.00 1.34 0.00 0.00 72.50 70.65 3rpb s THR 596 CO -0.20 -0.37 -0.21 0.00 -0.54 0.00 0.00 174.62 173.30 3rpb n GLN 597 N -3.02 0.02 -2.90 3.99 10.64 -1.26 -4.21 117.38 120.64 3rpb n GLN 597 Ca 0.10 0.01 -0.42 0.00 -1.83 0.00 0.00 57.00 54.86 3rpb n GLN 597 Cb 0.52 -1.03 -0.04 0.00 -0.86 0.00 0.00 30.24 28.83 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 -1.99 4.86 -1.23 -0.39 -1.09 -1.26 -4.59 121.20 115.51 3rpb s ILE 598 Ca 0.55 1.58 -0.12 0.00 -2.23 0.00 0.00 60.65 60.43 3rpb s ILE 598 Cb -0.44 -4.12 0.18 0.00 -1.58 0.00 0.00 42.46 36.50 3rpb s ILE 598 CO 0.68 -0.03 1.58 0.29 -1.23 0.00 0.00 174.94 176.23 3rpb n LYS 599 N 5.70 3.50 -1.61 2.79 4.76 -0.73 -5.00 118.16 127.57 3rpb n LYS 599 Ca 0.05 -3.78 -0.40 0.00 -2.87 0.00 0.00 58.31 51.31 3rpb n LYS 599 Cb 0.48 -2.97 0.03 0.00 -1.84 0.00 0.00 35.03 30.74 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 4.77 1.16 -3.16 1.97 4.76 -1.26 -3.50 118.16 122.90 3rpb n LYS 600 Ca 0.37 0.43 -0.20 0.00 -2.87 0.00 0.00 58.31 56.04 3rpb n LYS 600 Cb 0.40 -2.10 0.01 0.00 -1.84 0.00 0.00 35.03 31.50 3rpb n LYS 600 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3rpb n LYS 601 N -0.35 -1.12 -3.64 1.97 4.01 -1.05 -4.90 118.16 113.08 3rpb n LYS 601 Ca 0.11 0.64 -0.03 0.00 -0.51 0.00 0.00 58.31 58.52 3rpb n LYS 601 Cb 0.43 -1.43 -0.06 0.00 -0.51 0.00 0.00 35.03 33.46 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 -2.13 0.00 -0.05 -0.18 -1.32 0.78 -4.88 115.64 107.86 3rpb s THR 602 Ca 0.08 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.58 3rpb s THR 602 Cb -0.01 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.96 3rpb s THR 602 CO 0.60 0.00 0.05 0.18 -2.21 0.00 0.00 174.62 173.24 3rpb n LEU 603 N 1.15 0.05 -2.49 9.08 4.77 -1.26 -4.12 117.00 124.18 3rpb n LEU 603 Ca -0.06 -0.37 -0.18 0.00 -0.03 0.00 0.00 56.01 55.36 3rpb n LEU 603 Cb 0.58 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.68 3rpb n LEU 603 CO 0.04 0.01 0.08 0.59 -1.33 0.00 0.00 177.39 176.78 3rpb n ASN 604 N -1.17 3.48 -4.02 -1.43 3.02 -1.26 -2.00 115.26 111.89 3rpb n ASN 604 Ca 0.00 -3.25 -0.30 0.00 -0.03 0.00 0.00 54.58 51.01 3rpb n ASN 604 Cb 0.03 -0.46 0.20 0.00 -0.61 0.00 0.00 39.78 38.94 3rpb n ASN 604 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3rpb s PRO 605 N -3.47 0.22 -0.17 3.52 0.04 -1.23 -4.84 135.00 129.07 3rpb s PRO 605 Ca 0.40 -0.39 -0.01 0.00 0.04 0.00 0.00 61.00 61.04 3rpb s PRO 605 Cb 0.41 -1.80 0.05 0.00 0.04 0.00 0.00 34.50 33.20 3rpb s PRO 605 CO -0.07 -2.70 -0.02 -2.00 0.04 0.00 0.00 177.00 172.25 3rpb s GLU 606 N -5.83 1.17 -0.11 4.56 2.12 -1.26 -2.14 118.70 117.20 3rpb s GLU 606 Ca 0.74 -0.48 -0.10 0.00 0.36 0.00 0.00 54.97 55.49 3rpb s GLU 606 Cb -0.04 -2.00 -0.09 0.00 0.26 0.00 0.00 34.13 32.26 3rpb s GLU 606 CO 0.54 -0.49 0.28 0.74 -0.54 0.00 0.00 175.26 175.78 3rpb h PHE 607 N 8.15 -0.01 -6.05 5.30 0.04 0.35 -3.47 116.94 121.24 3rpb h PHE 607 Ca -0.21 -0.00 -0.42 0.00 2.80 0.00 0.00 57.97 60.14 3rpb h PHE 607 Cb 1.11 0.00 0.06 0.00 2.20 0.00 0.00 35.95 39.32 3rpb h PHE 607 CO 0.41 0.32 -0.78 -1.71 -0.60 0.00 0.00 178.31 175.95 3rpb n ASN 608 N -4.74 -2.95 -4.44 2.17 2.85 0.70 -4.91 115.26 103.94 3rpb n ASN 608 Ca -0.03 -0.74 -0.36 0.00 -0.11 0.00 0.00 54.58 53.33 3rpb n ASN 608 Cb 0.16 -4.30 -0.13 0.00 1.24 0.00 0.00 39.78 36.76 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 -6.10 3.65 -0.50 1.20 0.41 0.24 -4.91 118.70 112.69 3rpb s GLU 609 Ca 0.26 -0.48 -0.19 0.00 -0.41 0.00 0.00 54.97 54.14 3rpb s GLU 609 Cb -0.12 -3.31 0.05 0.00 -1.78 0.00 0.00 34.13 28.97 3rpb s GLU 609 CO 0.79 -0.18 0.64 -1.21 -0.49 0.00 0.00 175.26 174.81 3rpb s GLU 610 N 1.59 3.15 0.71 1.61 8.01 -1.26 0.11 118.70 132.61 3rpb s GLU 610 Ca 0.06 -0.81 -0.06 0.00 0.01 0.00 0.00 54.97 54.18 3rpb s GLU 610 Cb -0.15 -4.08 0.08 0.00 -4.31 0.00 0.00 34.13 25.67 3rpb s GLU 610 CO 0.03 -1.21 1.00 -0.06 0.01 0.00 0.00 175.26 175.04 3rpb s PHE 611 N 2.70 2.65 -0.09 1.61 0.40 0.62 -4.91 117.98 120.95 3rpb s PHE 611 Ca 0.16 0.28 -0.04 0.00 -0.60 0.00 0.00 56.93 56.74 3rpb s PHE 611 Cb -0.18 -3.18 0.05 0.00 0.51 0.00 0.00 43.02 40.21 3rpb s PHE 611 CO 0.13 -1.47 0.19 0.12 0.70 0.00 0.00 175.22 174.89 3rpb s PHE 612 N -3.22 -0.24 0.11 0.36 5.36 -1.26 -2.52 117.98 116.57 3rpb s PHE 612 Ca 0.62 0.68 0.03 0.00 -0.96 0.00 0.00 56.93 57.29 3rpb s PHE 612 Cb -0.09 -0.15 -0.04 0.00 -0.34 0.00 0.00 43.02 42.40 3rpb s PHE 612 CO 0.44 -0.27 0.17 0.71 -1.46 0.00 0.00 175.22 174.82 3rpb s TYR 613 N 2.01 3.32 -0.92 10.12 1.51 0.40 -4.94 117.35 128.86 3rpb s TYR 613 Ca -0.01 0.11 -0.00 0.00 -1.01 0.00 0.00 57.07 56.16 3rpb s TYR 613 Cb -0.12 -1.64 0.31 0.00 -0.11 0.00 0.00 41.96 40.40 3rpb s TYR 613 CO -0.07 0.54 1.40 -3.47 -1.11 0.00 0.00 175.55 172.84 3rpb n ASP 614 N 0.01 6.04 -3.98 2.29 -0.08 -1.26 -1.96 116.55 117.60 3rpb n ASP 614 Ca -0.07 -3.55 -0.17 0.00 -1.51 0.00 0.00 54.79 49.49 3rpb n ASP 614 Cb 0.53 -1.04 -0.15 0.00 2.34 0.00 0.00 41.12 42.80 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 -3.50 0.53 0.19 5.18 1.10 -1.26 -5.01 121.20 118.44 3rpb s ILE 615 Ca 0.38 -0.28 -0.30 0.00 -0.51 0.00 0.00 60.65 59.93 3rpb s ILE 615 Cb 0.14 -0.45 -0.08 0.00 0.15 0.00 0.00 42.46 42.22 3rpb s ILE 615 CO -0.02 0.15 1.12 -0.54 -2.11 0.00 0.00 174.94 173.54 3rpb s LYS 616 N -0.13 4.57 0.23 3.50 -0.14 -1.26 -3.99 119.74 122.53 3rpb s LYS 616 Ca 0.02 1.76 -0.13 0.00 -1.36 0.00 0.00 55.97 56.26 3rpb s LYS 616 Cb -0.03 -3.26 0.30 0.00 -1.68 0.00 0.00 37.83 33.16 3rpb s LYS 616 CO -0.00 0.05 1.59 1.25 -0.76 0.00 0.00 175.35 177.47 3rpb h HIS 617 N 5.00 -0.60 -0.25 3.18 -0.00 -1.94 1.25 115.15 121.80 3rpb h HIS 617 Ca -0.45 0.08 0.07 0.00 -0.00 0.00 0.00 60.37 60.07 3rpb h HIS 617 Cb 1.21 0.39 -0.01 0.00 -0.00 0.00 0.00 27.41 29.00 3rpb h HIS 617 CO 0.62 -0.36 0.60 0.77 -0.00 0.00 0.00 177.93 179.56 3rpb h SER 618 N -0.03 0.00 0.00 3.26 0.02 -2.00 0.20 113.55 115.00 3rpb h SER 618 Ca 0.36 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 61.02 3rpb h SER 618 Cb 0.59 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.08 3rpb h SER 618 CO -0.83 0.00 -2.09 0.47 -1.14 0.00 0.00 176.83 173.24 3rpb n ASP 619 N -3.09 1.22 -0.09 3.07 9.92 0.39 -4.66 116.55 123.31 3rpb n ASP 619 Ca 0.04 -0.01 -0.02 0.00 -0.53 0.00 0.00 54.79 54.27 3rpb n ASP 619 Cb 0.71 0.79 -0.02 0.00 -0.64 0.00 0.00 41.12 41.96 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 -2.62 -0.23 -0.34 0.64 4.77 0.10 -0.24 117.00 119.08 3rpb n LEU 620 Ca -0.26 0.91 -0.03 0.00 -0.03 0.00 0.00 56.01 56.59 3rpb n LEU 620 Cb 1.00 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.79 3rpb n LEU 620 CO 0.32 -0.58 0.48 0.00 -1.33 0.00 0.00 177.39 176.29 3rpb n ALA 621 N -2.95 -0.21 0.28 -1.18 0.00 -1.23 0.28 120.51 115.50 3rpb n ALA 621 Ca 0.00 0.82 0.16 0.00 0.00 0.00 0.00 53.44 54.43 3rpb n ALA 621 Cb 0.06 -0.32 0.82 0.00 0.00 0.00 0.00 19.45 20.00 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 -7.31 0.00 1.57 -0.90 -2.70 116.57 107.23 3rpb h LYS 622 Ca 0.26 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 58.63 3rpb h LYS 622 Cb 0.47 0.00 0.20 0.00 0.08 0.00 0.00 32.23 32.98 3rpb h LYS 622 CO -0.84 0.00 0.07 0.15 -0.57 0.00 0.00 179.45 178.26 3rpb s LYS 623 N -3.75 -1.74 -0.28 3.15 -0.14 0.81 -4.86 119.74 112.94 3rpb s LYS 623 Ca -0.02 -0.06 0.01 0.00 -1.36 0.00 0.00 55.97 54.54 3rpb s LYS 623 Cb 0.09 -1.53 0.16 0.00 -1.68 0.00 0.00 37.83 34.87 3rpb s LYS 623 CO 0.35 -4.05 0.45 -1.54 -0.76 0.00 0.00 175.35 169.79 3rpb s SER 624 N -3.75 -0.11 0.24 2.83 1.04 -0.88 -3.72 113.70 109.35 3rpb s SER 624 Ca 0.71 -0.06 -0.29 0.00 0.48 0.00 0.00 55.95 56.79 3rpb s SER 624 Cb -0.10 1.35 -0.09 0.00 0.10 0.00 0.00 66.02 67.28 3rpb s SER 624 CO 0.56 -0.33 0.92 -0.22 0.98 0.00 0.00 173.24 175.16 3rpb s LEU 625 N 2.62 4.61 -0.36 2.42 2.96 0.22 -1.11 118.68 130.04 3rpb s LEU 625 Ca 0.11 1.91 0.02 0.00 -0.22 0.00 0.00 54.13 55.96 3rpb s LEU 625 Cb -0.13 -3.62 0.11 0.00 0.50 0.00 0.00 46.19 43.05 3rpb s LEU 625 CO -0.26 0.14 0.11 -0.62 -1.32 0.00 0.00 176.35 174.40 3rpb s ASP 626 N -1.22 4.38 -0.71 3.68 -1.08 -0.57 0.26 116.67 121.41 3rpb s ASP 626 Ca 0.41 -2.16 -0.19 0.00 -0.52 0.00 0.00 52.55 50.09 3rpb s ASP 626 Cb -0.25 -1.35 0.11 0.00 -1.46 0.00 0.00 42.92 39.97 3rpb s ASP 626 CO 0.31 -0.36 0.88 -0.63 0.52 0.00 0.00 175.17 175.89 3rpb s ILE 627 N 0.90 4.73 -0.13 4.11 1.09 -0.04 -2.59 121.20 129.27 3rpb s ILE 627 Ca 0.12 -1.08 -0.01 0.00 -1.10 0.00 0.00 60.65 58.57 3rpb s ILE 627 Cb -0.20 -4.61 -0.02 0.00 -1.06 0.00 0.00 42.46 36.57 3rpb s ILE 627 CO -0.11 -1.30 -0.09 -0.94 -0.10 0.00 0.00 174.94 172.39 3rpb s SER 628 N 3.53 4.35 -0.20 3.58 1.04 0.83 -0.99 113.70 125.83 3rpb s SER 628 Ca 0.20 -0.22 -0.08 0.00 0.48 0.00 0.00 55.95 56.33 3rpb s SER 628 Cb -0.16 -1.60 -0.04 0.00 0.10 0.00 0.00 66.02 64.32 3rpb s SER 628 CO 0.02 0.19 0.07 -0.69 0.98 0.00 0.00 173.24 173.82 3rpb s VAL 629 N 0.20 4.72 0.08 5.02 1.01 0.29 0.11 120.40 131.83 3rpb s VAL 629 Ca -0.05 -0.05 0.09 0.00 0.00 0.00 0.00 61.98 61.96 3rpb s VAL 629 Cb -0.15 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 3rpb s VAL 629 CO 0.04 0.42 -0.23 0.26 0.00 0.00 0.00 175.10 175.59 3rpb s TRP 630 N 0.73 1.97 -0.44 5.22 0.52 0.05 -1.41 118.94 125.58 3rpb s TRP 630 Ca 0.04 -0.40 -0.25 0.00 0.02 0.00 0.00 56.10 55.52 3rpb s TRP 630 Cb -0.13 -1.12 0.02 0.00 -1.15 0.00 0.00 33.47 31.09 3rpb s TRP 630 CO 0.02 0.18 0.87 0.34 0.02 0.00 0.00 176.95 178.38 3rpb s ASP 631 N -1.61 6.49 1.01 2.95 2.15 0.73 -0.62 116.67 127.77 3rpb s ASP 631 Ca 0.09 0.10 -0.11 0.00 0.43 0.00 0.00 52.55 53.06 3rpb s ASP 631 Cb -0.10 -2.43 0.20 0.00 -0.30 0.00 0.00 42.92 40.30 3rpb s ASP 631 CO 0.03 -0.97 1.09 -0.47 -0.17 0.00 0.00 175.17 174.69 3rpb s TYR 632 N 3.54 1.58 -0.27 -5.34 6.14 0.69 0.27 117.35 123.97 3rpb s TYR 632 Ca 0.34 1.51 -0.15 0.00 0.64 0.00 0.00 57.07 59.42 3rpb s TYR 632 Cb -0.11 -3.22 0.09 0.00 0.42 0.00 0.00 41.96 39.13 3rpb s TYR 632 CO 0.24 -3.19 0.66 0.34 0.64 0.00 0.00 175.55 174.24 3rpb s ASP 633 N -2.68 -0.94 0.09 4.32 2.15 -1.25 -4.22 116.67 114.14 3rpb s ASP 633 Ca 0.67 1.48 -0.18 0.00 0.43 0.00 0.00 52.55 54.95 3rpb s ASP 633 Cb -0.23 1.48 -0.07 0.00 -0.30 0.00 0.00 42.92 43.80 3rpb s ASP 633 CO 0.60 -0.23 0.56 0.27 -0.17 0.00 0.00 175.17 176.20 3rpb s ILE 634 N 1.82 4.77 0.00 4.11 -0.00 -1.26 -3.85 121.20 126.79 3rpb s ILE 634 Ca -0.09 1.11 0.00 0.00 -0.00 0.00 0.00 60.65 61.66 3rpb s ILE 634 Cb -0.06 -3.85 0.00 0.00 -0.00 0.00 0.00 42.46 38.55 3rpb s ILE 634 CO -0.19 0.46 0.00 0.61 -0.00 0.00 0.00 174.94 175.82 3rpb n GLY 635 N 1.45 1.47 0.00 6.27 0.00 -1.26 -4.91 105.19 108.21 3rpb n GLY 635 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.95 1.61 5.02 -1.25 -5.18 118.16 115.41 3rpb n LYS 636 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 3rpb n LYS 636 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.11 3rpb n LYS 636 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3rpb n SER 637 N -1.42 0.05 -1.44 4.39 3.41 -1.26 -4.72 113.62 112.64 3rpb n SER 637 Ca 0.00 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.37 3rpb n SER 637 Cb 0.00 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 3rpb n SER 637 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3rpb n ASN 638 N -3.43 0.00 -3.80 4.04 3.02 -1.26 -3.84 115.26 109.99 3rpb n ASN 638 Ca 0.08 -0.61 -0.13 0.00 -0.03 0.00 0.00 54.58 53.90 3rpb n ASN 638 Cb 0.29 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.36 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 -1.00 -0.18 -0.47 6.41 1.01 0.14 -4.93 116.67 117.65 3rpb s ASP 639 Ca 0.00 0.24 -0.22 0.00 0.71 0.00 0.00 52.55 53.28 3rpb s ASP 639 Cb 0.00 0.40 0.03 0.00 1.01 0.00 0.00 42.92 44.36 3rpb s ASP 639 CO 0.00 -0.25 0.75 -0.47 0.21 0.00 0.00 175.17 175.41 3rpb s TYR 640 N -0.60 2.98 -0.08 4.23 6.14 -1.26 0.26 117.35 129.03 3rpb s TYR 640 Ca -0.07 -0.04 -0.09 0.00 0.64 0.00 0.00 57.07 57.50 3rpb s TYR 640 Cb -0.04 -3.63 -0.29 0.00 0.42 0.00 0.00 41.96 38.42 3rpb s TYR 640 CO 0.02 -1.03 0.55 0.82 0.64 0.00 0.00 175.55 176.54 3rpb h ILE 641 N 5.94 0.81 0.00 3.14 2.04 -1.65 -3.46 117.51 124.33 3rpb h ILE 641 Ca -0.26 -2.44 0.00 0.00 1.00 0.00 0.00 64.86 63.16 3rpb h ILE 641 Cb 1.09 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 39.83 3rpb h ILE 641 CO 0.97 0.88 0.00 0.61 0.00 0.00 0.00 178.15 180.61 3rpb n GLY 642 N 1.92 3.09 0.00 5.37 0.00 -0.50 -4.82 105.19 110.25 3rpb n GLY 642 Ca -0.28 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.43 1.83 3.57 -0.02 0.00 0.06 0.11 105.19 109.30 3rpb n GLY 643 Ca 0.00 -0.68 -0.08 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.83 3.48 -0.34 0.00 -0.21 -1.26 -0.86 119.66 118.64 3rpb s GLN 645 Ca 0.03 -0.50 0.00 0.00 0.02 0.00 0.00 55.36 54.91 3rpb s GLN 645 Cb -0.01 -2.84 0.14 0.00 1.00 0.00 0.00 33.01 31.30 3rpb s GLN 645 CO -0.03 0.38 0.26 -0.51 -2.12 0.00 0.00 175.29 173.27 3rpb s LEU 646 N -3.69 0.37 0.00 2.90 1.43 0.73 -4.79 118.68 115.63 3rpb s LEU 646 Ca 0.37 -1.60 0.00 0.00 -1.03 0.00 0.00 54.13 51.87 3rpb s LEU 646 Cb -0.10 0.06 -0.00 0.00 0.03 0.00 0.00 46.19 46.18 3rpb s LEU 646 CO 0.30 -0.33 -0.01 -0.83 0.23 0.00 0.00 176.35 175.71 3rpb s GLY 647 N 1.58 0.07 0.25 -3.19 0.00 -1.24 0.70 107.32 105.50 3rpb s GLY 647 Ca 0.15 -0.12 0.15 0.00 0.00 0.00 0.00 44.72 44.89 3rpb s GLY 647 CO -0.13 -0.13 1.41 4.51 0.00 0.00 0.00 173.10 178.76 3rpb n ILE 648 N 2.83 1.07 0.59 0.90 3.06 -1.02 0.03 119.36 126.82 3rpb n ILE 648 Ca -0.14 0.69 0.04 0.00 -2.50 0.00 0.00 62.75 60.84 3rpb n ILE 648 Cb 0.59 -1.69 0.15 0.00 0.54 0.00 0.00 39.64 39.23 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 -2.03 2.35 -0.97 9.51 2.88 -1.26 -4.86 113.62 119.24 3rpb n SER 649 Ca -0.01 -2.21 0.00 0.00 -1.33 0.00 0.00 58.87 55.32 3rpb n SER 649 Cb 0.12 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 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 0.31 0.00 -3.44 -1.46 0.00 0.10 -5.11 120.51 110.91 3rpb n ALA 650 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.42 3rpb n ALA 650 Cb 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.83 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 1.57 0.59 1.14 0.00 1.02 -1.26 -4.78 119.74 118.02 3rpb s LYS 651 Ca 0.00 0.74 0.00 0.00 0.02 0.00 0.00 55.97 56.73 3rpb s LYS 651 Cb 0.00 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.57 3rpb s LYS 651 CO 0.00 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 3rpb n GLY 652 N 2.97 1.06 0.13 -3.33 0.00 -1.26 -4.25 105.19 100.50 3rpb n GLY 652 Ca -0.14 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 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 0.04 0.65 -0.30 1.61 0.28 -1.26 -3.51 120.64 118.15 3rpb n GLU 653 Ca 0.00 0.32 0.34 0.00 -0.16 0.00 0.00 57.16 57.66 3rpb n GLU 653 Cb 0.00 -1.63 0.63 0.00 1.43 0.00 0.00 31.44 31.87 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 -0.45 0.00 0.00 3.44 2.47 -1.87 0.11 114.38 118.09 3rpb h ARG 654 Ca -0.50 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.03 3rpb h ARG 654 Cb 1.73 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 30.02 3rpb h ARG 654 CO -0.14 0.00 -1.13 -0.11 0.56 0.00 0.00 179.97 179.15 3rpb n LEU 655 N -3.63 1.85 0.00 3.04 7.94 -1.26 -3.50 117.00 121.45 3rpb n LEU 655 Ca 0.26 0.47 -0.11 0.00 -1.11 0.00 0.00 56.01 55.52 3rpb n LEU 655 Cb 1.46 -0.94 -0.07 0.00 0.53 0.00 0.00 43.42 44.39 3rpb n LEU 655 CO 0.32 0.11 0.50 0.11 -1.11 0.00 0.00 177.39 177.33 3rpb h LYS 656 N -1.00 -0.43 0.17 1.96 1.57 -0.88 1.19 116.57 119.16 3rpb h LYS 656 Ca -0.28 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.54 3rpb h LYS 656 Cb 1.13 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.50 3rpb h LYS 656 CO -0.17 -0.28 -0.36 1.25 -0.57 0.00 0.00 179.45 179.32 3rpb h HIS 657 N -0.44 -0.98 0.00 -1.35 2.76 -1.45 0.48 115.15 114.17 3rpb h HIS 657 Ca 0.02 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3rpb h HIS 657 Cb 0.51 0.41 0.00 0.00 1.55 0.00 0.00 27.41 29.87 3rpb h HIS 657 CO -0.53 -0.47 0.00 1.87 -1.30 0.00 0.00 177.93 177.50 3rpb n TRP 658 N -5.44 0.00 -0.16 5.26 -0.00 -1.05 -2.37 117.44 113.67 3rpb n TRP 658 Ca -0.07 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.36 3rpb n TRP 658 Cb 0.35 -0.08 -0.05 0.00 -0.00 0.00 0.00 31.31 31.53 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 -0.93 -1.53 5.87 5.03 0.14 0.55 116.97 126.09 3rpb h TYR 659 Ca 0.00 0.06 0.45 0.00 2.58 0.00 0.00 58.73 61.81 3rpb h TYR 659 Cb 0.00 0.46 -0.07 0.00 1.55 0.00 0.00 36.73 38.67 3rpb h TYR 659 CO 0.04 -0.21 1.10 1.05 -1.32 0.00 0.00 178.16 178.81 3rpb h GLU 660 N -0.08 0.02 -0.73 1.82 4.11 -0.88 2.22 114.58 121.05 3rpb h GLU 660 Ca 0.06 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.46 3rpb h GLU 660 Cb 0.25 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3rpb h GLU 660 CO -0.41 0.01 0.33 0.00 0.07 0.00 0.00 179.01 179.02 3rpb h LEU 662 N 1.04 0.00 0.14 0.00 4.07 0.40 0.20 115.31 121.16 3rpb h LEU 662 Ca 0.25 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.98 3rpb h LEU 662 Cb 0.15 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.90 3rpb h LEU 662 CO -0.03 0.00 -1.08 0.07 -1.08 0.00 0.00 178.44 176.32 3rpb h LYS 663 N 0.00 0.29 -0.99 1.13 2.10 -0.94 -3.33 116.57 114.82 3rpb h LYS 663 Ca 0.04 -0.49 -0.67 0.00 -2.00 0.00 0.00 60.65 57.53 3rpb h LYS 663 Cb 0.23 0.18 -0.29 0.00 -0.90 0.00 0.00 32.23 31.45 3rpb h LYS 663 CO -0.00 1.24 0.82 0.09 -2.00 0.00 0.00 179.45 179.59 3rpb n ASN 664 N -4.03 7.39 0.00 7.07 4.13 -0.49 -4.83 115.26 124.50 3rpb n ASN 664 Ca -0.18 -3.78 0.00 0.00 1.68 0.00 0.00 54.58 52.30 3rpb n ASN 664 Cb 0.87 -0.95 0.00 0.00 -1.54 0.00 0.00 39.78 38.15 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 -0.93 0.00 0.15 3.52 5.02 0.61 0.15 118.16 126.68 3rpb n LYS 665 Ca 0.62 0.61 0.15 0.00 -2.02 0.00 0.00 58.31 57.68 3rpb n LYS 665 Cb 0.73 -1.04 0.48 0.00 -0.02 0.00 0.00 35.03 35.17 3rpb n LYS 665 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3rpb h ASP 666 N 0.00 0.00 -3.00 4.39 3.32 -1.80 -2.73 116.42 116.60 3rpb h ASP 666 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 3rpb h ASP 666 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 3rpb h ASP 666 CO 0.00 0.00 -0.26 -0.54 -1.72 0.00 0.00 179.24 176.72 3rpb s LYS 667 N -4.25 3.78 0.18 3.56 -0.14 0.39 -4.96 119.74 118.29 3rpb s LYS 667 Ca -0.02 0.22 -0.30 0.00 -1.36 0.00 0.00 55.97 54.51 3rpb s LYS 667 Cb 0.09 -3.11 -0.08 0.00 -1.68 0.00 0.00 37.83 33.05 3rpb s LYS 667 CO 0.30 0.64 0.96 -1.59 -0.76 0.00 0.00 175.35 174.90 3rpb s LYS 668 N -1.47 4.77 -0.20 1.68 -2.85 -1.26 -4.58 119.74 115.82 3rpb s LYS 668 Ca 0.27 1.50 0.01 0.00 -1.00 0.00 0.00 55.97 56.75 3rpb s LYS 668 Cb -0.15 -3.32 0.04 0.00 -2.06 0.00 0.00 37.83 32.35 3rpb s LYS 668 CO 0.15 0.35 -0.11 0.42 0.10 0.00 0.00 175.35 176.26 3rpb s ILE 669 N -0.62 1.70 0.13 3.79 1.01 0.25 -4.96 121.20 122.50 3rpb s ILE 669 Ca 0.44 -1.05 0.11 0.00 0.00 0.00 0.00 60.65 60.15 3rpb s ILE 669 Cb -0.25 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 3rpb s ILE 669 CO 0.32 0.17 -0.26 -1.83 0.00 0.00 0.00 174.94 173.33 3rpb s GLU 670 N 1.37 1.37 -0.24 2.79 1.03 -1.26 0.29 118.70 124.05 3rpb s GLU 670 Ca -0.02 -1.33 -0.28 0.00 0.03 0.00 0.00 54.97 53.38 3rpb s GLU 670 Cb -0.16 -1.85 0.15 0.00 -0.80 0.00 0.00 34.13 31.47 3rpb s GLU 670 CO -0.08 0.44 1.15 -0.98 -1.33 0.00 0.00 175.26 174.45 3rpb s ARG 671 N -2.05 0.38 0.02 -4.83 1.04 -0.68 -4.98 118.95 107.86 3rpb s ARG 671 Ca 0.13 0.23 -0.29 0.00 -1.04 0.00 0.00 55.73 54.77 3rpb s ARG 671 Cb -0.10 0.18 -0.04 0.00 -2.04 0.00 0.00 34.95 32.95 3rpb s ARG 671 CO 0.06 -0.09 0.92 -1.58 -0.04 0.00 0.00 175.30 174.57 3rpb s TRP 672 N -0.54 3.69 -0.14 5.89 0.52 -1.26 -2.22 118.94 124.88 3rpb s TRP 672 Ca 0.03 1.64 -0.02 0.00 0.02 0.00 0.00 56.10 57.77 3rpb s TRP 672 Cb -0.03 -3.04 -0.02 0.00 -1.15 0.00 0.00 33.47 29.24 3rpb s TRP 672 CO -0.05 0.07 -0.07 -1.01 0.02 0.00 0.00 176.95 175.91 3rpb s HIS 673 N 0.68 2.95 -0.52 -1.98 3.76 -0.80 -4.95 115.29 114.43 3rpb s HIS 673 Ca 0.48 -0.40 -0.28 0.00 -0.15 0.00 0.00 55.06 54.71 3rpb s HIS 673 Cb -0.21 -1.91 0.02 0.00 1.11 0.00 0.00 32.58 31.60 3rpb s HIS 673 CO 0.27 -0.07 1.26 -0.65 -0.85 0.00 0.00 174.74 174.69 3rpb s GLN 674 N 0.29 3.54 0.08 1.40 -0.21 -1.26 -1.66 119.66 121.84 3rpb s GLN 674 Ca -0.06 0.50 -0.36 0.00 0.02 0.00 0.00 55.36 55.46 3rpb s GLN 674 Cb -0.15 -4.01 -0.16 0.00 1.00 0.00 0.00 33.01 29.69 3rpb s GLN 674 CO 0.04 -1.63 1.42 1.28 -2.12 0.00 0.00 175.29 174.28 3rpb n LEU 675 N 8.59 2.04 -4.59 2.90 4.77 -0.23 -4.80 117.00 125.68 3rpb n LEU 675 Ca 0.12 1.11 -0.25 0.00 -0.03 0.00 0.00 56.01 56.95 3rpb n LEU 675 Cb 0.49 -1.24 -0.09 0.00 -2.33 0.00 0.00 43.42 40.24 3rpb n LEU 675 CO 0.71 -0.83 -0.34 -1.10 -1.33 0.00 0.00 177.39 174.51 3rpb s GLN 676 N 0.80 1.96 -0.35 3.23 -1.52 0.21 -4.62 119.66 119.38 3rpb s GLN 676 Ca 0.84 -1.83 -0.11 0.00 -1.95 0.00 0.00 55.36 52.30 3rpb s GLN 676 Cb -0.89 -1.83 0.01 0.00 -0.22 0.00 0.00 33.01 30.07 3rpb s GLN 676 CO 0.46 0.14 0.21 1.21 -0.25 0.00 0.00 175.29 177.05 3rpb s ASN 677 N -3.67 5.79 0.00 5.90 3.84 -1.26 -0.76 114.94 124.78 3rpb s ASN 677 Ca 0.34 -0.72 0.00 0.00 0.21 0.00 0.00 52.86 52.69 3rpb s ASN 677 Cb 0.01 -2.06 0.00 0.00 -0.55 0.00 0.00 41.25 38.65 3rpb s ASN 677 CO 0.18 -0.30 0.00 -0.62 -2.79 0.00 0.00 177.10 173.57 3rpb n GLU 678 N 5.04 0.00 -4.15 0.43 1.02 -1.26 -5.05 120.64 116.66 3rpb n GLU 678 Ca -0.12 0.26 -0.10 0.00 -0.02 0.00 0.00 57.16 57.17 3rpb n GLU 678 Cb 0.48 -0.72 -0.10 0.00 -0.02 0.00 0.00 31.44 31.08 3rpb n GLU 678 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3rpb s ASN 679 N -2.56 0.28 0.00 1.62 4.22 -1.26 -5.23 114.94 112.01 3rpb s ASN 679 Ca 0.00 -1.22 0.17 0.00 -2.14 0.00 0.00 52.86 49.66 3rpb s ASN 679 Cb 0.00 0.31 0.13 0.00 1.28 0.00 0.00 41.25 42.97 3rpb s ASN 679 CO 0.00 -0.75 1.02 0.00 -2.04 0.00 0.00 177.10 175.33