#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqa s PRO 543 N 0.00 1.92 0.82 1.61 0.04 -1.26 -5.04 135.00 133.09 2rqa s PRO 543 Ca 0.00 0.58 -0.11 0.00 0.04 0.00 0.00 61.00 61.50 2rqa s PRO 543 Cb 0.00 -1.90 0.08 0.00 0.04 0.00 0.00 34.50 32.72 2rqa s PRO 543 CO 0.00 -1.72 1.09 -1.58 0.04 0.00 0.00 177.00 174.83 2rqa s HIS 544 N -3.18 2.67 -1.12 0.56 2.46 -1.26 -4.96 115.29 110.46 2rqa s HIS 544 Ca 0.61 1.25 -0.05 0.00 0.47 0.00 0.00 55.06 57.34 2rqa s HIS 544 Cb -0.14 -3.11 0.28 0.00 -0.13 0.00 0.00 32.58 29.48 2rqa s HIS 544 CO 0.54 -1.92 1.61 -1.33 -2.47 0.00 0.00 174.74 171.17 2rqa n MET 545 N -3.56 4.42 -3.50 2.88 2.81 -1.26 -5.00 117.12 113.91 2rqa n MET 545 Ca 0.07 -4.35 -0.20 0.00 -1.81 0.00 0.00 57.70 51.42 2rqa n MET 545 Cb 0.55 -2.59 -0.01 0.00 -0.71 0.00 0.00 33.22 30.47 2rqa n MET 545 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2rqa s GLN 546 N -2.30 3.16 -0.33 0.03 -0.21 -1.26 -5.10 119.66 113.64 2rqa s GLN 546 Ca 0.34 -0.93 0.03 0.00 0.02 0.00 0.00 55.36 54.82 2rqa s GLN 546 Cb 0.07 -2.81 0.19 0.00 1.00 0.00 0.00 33.01 31.47 2rqa s GLN 546 CO 0.07 0.09 0.70 -0.06 -2.12 0.00 0.00 175.29 173.96 2rqa s PHE 547 N -2.18 -1.53 0.38 0.91 0.08 -1.26 -5.00 117.98 109.38 2rqa s PHE 547 Ca 0.44 0.64 -0.25 0.00 0.12 0.00 0.00 56.93 57.88 2rqa s PHE 547 Cb -0.09 0.27 -0.09 0.00 -0.57 0.00 0.00 43.02 42.54 2rqa s PHE 547 CO 0.31 -0.95 1.06 -1.25 -0.10 0.00 0.00 175.22 174.29 2rqa s PRO 548 N 2.47 4.23 0.22 0.24 0.04 -1.26 -3.72 135.00 137.23 2rqa s PRO 548 Ca 0.15 1.56 -0.07 0.00 0.04 0.00 0.00 61.00 62.68 2rqa s PRO 548 Cb -0.06 -2.64 0.33 0.00 0.04 0.00 0.00 34.50 32.16 2rqa s PRO 548 CO -0.19 -0.09 1.78 -0.39 0.04 0.00 0.00 177.00 178.15 2rqa h VAL 549 N 2.33 0.86 0.00 -0.36 -1.51 -1.87 0.61 116.25 116.31 2rqa h VAL 549 Ca -0.48 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 2rqa h VAL 549 Cb 1.22 0.19 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 2rqa h VAL 549 CO 0.63 0.11 0.14 1.05 -1.23 0.00 0.00 177.57 178.27 2rqa h GLU 550 N 0.62 0.00 0.00 5.19 4.11 -1.92 0.34 114.58 122.92 2rqa h GLU 550 Ca 0.34 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.68 2rqa h GLU 550 Cb 0.35 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2rqa h GLU 550 CO -0.26 0.00 -2.03 0.72 0.07 0.00 0.00 179.01 177.51 2rqa n HIS 551 N -2.79 0.00 -3.15 2.06 8.25 0.17 -4.91 115.22 114.85 2rqa n HIS 551 Ca -0.02 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.05 2rqa n HIS 551 Cb 0.19 -0.60 -0.05 0.00 1.12 0.00 0.00 29.99 30.65 2rqa n HIS 551 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2rqa s VAL 552 N -3.13 5.10 0.10 1.59 1.01 0.12 -4.12 120.40 121.08 2rqa s VAL 552 Ca -0.08 1.24 0.09 0.00 0.00 0.00 0.00 61.98 63.23 2rqa s VAL 552 Cb 0.11 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2rqa s VAL 552 CO 0.82 0.27 -0.22 -1.58 0.00 0.00 0.00 175.10 174.40 2rqa s GLN 553 N 0.79 1.70 -0.37 2.72 0.74 -1.02 -0.84 119.66 123.37 2rqa s GLN 553 Ca 0.33 -1.20 -0.20 0.00 0.05 0.00 0.00 55.36 54.34 2rqa s GLN 553 Cb -0.17 -2.04 0.00 0.00 1.10 0.00 0.00 33.01 31.91 2rqa s GLN 553 CO 0.15 0.48 0.59 -0.51 -0.55 0.00 0.00 175.29 175.45 2rqa s LEU 554 N -1.93 4.33 0.35 3.68 1.43 -0.35 -2.76 118.68 123.43 2rqa s LEU 554 Ca 0.16 0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.31 2rqa s LEU 554 Cb -0.10 -2.70 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 2rqa s LEU 554 CO 0.07 -0.58 0.19 -0.76 0.23 0.00 0.00 176.35 175.50 2rqa s LEU 555 N 2.60 1.81 -0.48 1.79 1.02 -0.93 0.79 118.68 125.27 2rqa s LEU 555 Ca 0.22 -1.66 -0.13 0.00 0.02 0.00 0.00 54.13 52.57 2rqa s LEU 555 Cb -0.15 0.20 0.10 0.00 0.02 0.00 0.00 46.19 46.37 2rqa s LEU 555 CO 0.15 -0.96 0.39 0.00 0.02 0.00 0.00 176.35 175.95 2rqa n ILE 557 N 5.11 -0.13 0.10 0.00 -5.35 -1.07 0.29 119.36 118.31 2rqa n ILE 557 Ca -0.12 1.26 -0.05 0.00 -0.27 0.00 0.00 62.75 63.58 2rqa n ILE 557 Cb 0.42 -2.08 -0.02 0.00 -1.74 0.00 0.00 39.64 36.22 2rqa n ILE 557 CO 0.00 0.00 0.00 0.78 -1.76 0.00 0.00 176.55 175.57 2rqa h ASN 558 N 0.00 -0.28 0.00 7.28 4.21 -1.91 -3.41 115.58 121.46 2rqa h ASN 558 Ca 0.67 0.01 0.00 0.00 1.21 0.00 0.00 56.30 58.18 2rqa h ASN 558 Cb 2.31 0.07 0.00 0.00 -1.12 0.00 0.00 38.32 39.59 2rqa h ASN 558 CO -0.24 0.08 -0.01 0.00 -1.29 0.00 0.00 177.43 175.97 2rqa n MET 560 N -2.57 -0.63 0.00 0.00 2.81 0.82 -4.85 117.12 112.70 2rqa n MET 560 Ca -0.00 0.07 0.08 0.00 -1.81 0.00 0.00 57.70 56.05 2rqa n MET 560 Cb 0.00 -2.79 -0.00 0.00 -0.71 0.00 0.00 33.22 29.72 2rqa n MET 560 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2rqa n VAL 561 N -1.91 0.00 -1.02 2.03 0.24 -1.26 -4.82 118.33 111.60 2rqa n VAL 561 Ca -0.01 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 2rqa n VAL 561 Cb 0.51 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 34.08 2rqa n VAL 561 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2rqa n ALA 562 N -0.13 -2.13 1.01 2.33 0.00 -1.26 -4.98 120.51 115.34 2rqa n ALA 562 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.62 2rqa n ALA 562 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.78 2rqa n ALA 562 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2rqa n VAL 563 N 0.37 0.00 -3.02 0.00 0.24 0.24 -4.92 118.33 111.24 2rqa n VAL 563 Ca 0.00 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 2rqa n VAL 563 Cb 0.00 1.16 0.00 0.00 -1.47 0.00 0.00 33.84 33.53 2rqa n VAL 563 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2rqa n GLY 564 N 1.44 0.70 3.23 7.63 0.00 0.12 -4.66 105.19 113.66 2rqa n GLY 564 Ca 0.08 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 2rqa n GLY 564 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rqa s HIS 565 N -2.00 1.56 -1.03 1.61 0.09 -1.26 -1.22 115.29 113.03 2rqa s HIS 565 Ca 0.00 -0.41 0.21 0.00 -0.00 0.00 0.00 55.06 54.86 2rqa s HIS 565 Cb 0.00 -0.88 0.92 0.00 -0.00 0.00 0.00 32.58 32.62 2rqa s HIS 565 CO 0.00 0.13 1.68 0.41 -0.00 0.00 0.00 174.74 176.96 2rqa n GLY 566 N 1.35 -1.22 0.86 -2.22 0.00 -0.02 -2.07 105.19 101.88 2rqa n GLY 566 Ca -0.19 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 45.83 2rqa n GLY 566 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rqa n SER 567 N -1.48 3.11 -0.00 1.61 2.88 -1.24 -4.19 113.62 114.31 2rqa n SER 567 Ca 0.06 -1.92 0.03 0.00 -1.33 0.00 0.00 58.87 55.71 2rqa n SER 567 Cb 0.24 -0.26 -0.04 0.00 -0.75 0.00 0.00 64.21 63.41 2rqa n SER 567 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2rqa n ASP 568 N 0.96 0.90 -4.86 -3.46 4.64 -0.88 -5.00 116.55 108.86 2rqa n ASP 568 Ca 0.15 -0.54 -0.32 0.00 -1.38 0.00 0.00 54.79 52.71 2rqa n ASP 568 Cb 0.48 1.06 -0.05 0.00 -1.04 0.00 0.00 41.12 41.57 2rqa n ASP 568 CO 0.00 0.00 0.00 -1.48 -0.82 0.00 0.00 177.20 174.90 2rqa s LEU 569 N -2.55 4.00 -0.06 -2.67 0.05 -1.15 -3.53 118.68 112.77 2rqa s LEU 569 Ca 0.02 1.23 -0.03 0.00 0.05 0.00 0.00 54.13 55.39 2rqa s LEU 569 Cb 0.05 -4.05 0.03 0.00 -2.05 0.00 0.00 46.19 40.17 2rqa s LEU 569 CO 0.29 -0.26 0.15 -0.13 -0.55 0.00 0.00 176.35 175.84 2rqa s ARG 570 N -3.23 0.11 0.67 1.48 0.52 -0.97 -4.75 118.95 112.78 2rqa s ARG 570 Ca 0.53 0.34 -0.12 0.00 -0.52 0.00 0.00 55.73 55.96 2rqa s ARG 570 Cb -0.10 -0.13 0.00 0.00 0.52 0.00 0.00 34.95 35.24 2rqa s ARG 570 CO 0.22 -0.14 1.06 -1.59 0.02 0.00 0.00 175.30 174.87 2rqa s LYS 571 N 0.95 2.97 -0.42 3.54 -2.85 -0.64 -2.75 119.74 120.54 2rqa s LYS 571 Ca -0.07 1.07 -0.07 0.00 -1.00 0.00 0.00 55.97 55.90 2rqa s LYS 571 Cb -0.09 -1.99 0.10 0.00 -2.06 0.00 0.00 37.83 33.78 2rqa s LYS 571 CO -0.05 -1.08 0.25 0.08 0.10 0.00 0.00 175.35 174.65 2rqa s VAL 572 N -2.83 3.84 -0.03 1.79 1.01 -1.25 0.13 120.40 123.05 2rqa s VAL 572 Ca 0.60 -1.71 -0.00 0.00 0.00 0.00 0.00 61.98 60.86 2rqa s VAL 572 Cb -0.15 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.76 2rqa s VAL 572 CO 0.49 -0.61 0.01 -1.84 0.00 0.00 0.00 175.10 173.15 2rqa n GLU 573 N 4.79 -2.83 -3.50 2.72 0.28 -1.26 0.17 120.64 121.01 2rqa n GLU 573 Ca -0.07 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.75 2rqa n GLU 573 Cb 0.42 -4.20 0.08 0.00 1.43 0.00 0.00 31.44 29.16 2rqa n GLU 573 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2rqa n GLY 574 N -0.48 -0.35 0.02 -1.84 0.00 -1.26 -4.91 105.19 96.37 2rqa n GLY 574 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 2rqa n GLY 574 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2rqa n THR 575 N -4.19 0.20 -3.15 2.61 -1.04 0.44 -5.03 114.28 104.12 2rqa n THR 575 Ca -0.28 -0.10 0.05 0.00 -2.04 0.00 0.00 64.05 61.69 2rqa n THR 575 Cb 0.67 -0.75 -0.02 0.00 -1.82 0.00 0.00 70.33 68.41 2rqa n THR 575 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2rqa s HIS 576 N -2.07 -0.52 -0.02 -1.42 3.76 -1.25 -5.02 115.29 108.75 2rqa s HIS 576 Ca -0.03 0.54 -0.38 0.00 -0.15 0.00 0.00 55.06 55.03 2rqa s HIS 576 Cb 0.01 0.18 -0.17 0.00 1.11 0.00 0.00 32.58 33.71 2rqa s HIS 576 CO 0.10 -0.28 1.41 0.72 -0.85 0.00 0.00 174.74 175.83 2rqa n HIS 577 N 5.46 1.56 -3.76 1.40 8.25 -1.26 -3.87 115.22 123.00 2rqa n HIS 577 Ca -0.06 0.67 -0.28 0.00 -0.26 0.00 0.00 57.72 57.78 2rqa n HIS 577 Cb 0.54 -2.33 -0.16 0.00 1.12 0.00 0.00 29.99 29.15 2rqa n HIS 577 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2rqa s VAL 578 N 1.19 0.68 -0.30 1.59 -7.23 -1.11 -3.34 120.40 111.88 2rqa s VAL 578 Ca 0.89 -0.76 -0.29 0.00 -1.81 0.00 0.00 61.98 60.00 2rqa s VAL 578 Cb -1.03 -1.21 0.00 0.00 0.56 0.00 0.00 36.38 34.70 2rqa s VAL 578 CO 0.53 -0.27 1.26 0.21 -0.31 0.00 0.00 175.10 176.52 2rqa s ASN 579 N 1.77 6.72 0.11 4.85 3.04 -1.11 -2.29 114.94 128.03 2rqa s ASN 579 Ca 0.00 1.18 -0.24 0.00 0.04 0.00 0.00 52.86 53.85 2rqa s ASN 579 Cb -0.17 -2.54 -0.07 0.00 -1.54 0.00 0.00 41.25 36.93 2rqa s ASN 579 CO -0.11 -1.04 0.72 -0.69 -3.04 0.00 0.00 177.10 172.94 2rqa s VAL 580 N 4.24 4.55 0.00 -5.21 1.01 -1.23 -4.10 120.40 119.65 2rqa s VAL 580 Ca 0.54 1.56 0.00 0.00 0.00 0.00 0.00 61.98 64.08 2rqa s VAL 580 Cb -0.16 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.15 2rqa s VAL 580 CO 0.22 0.50 0.00 0.59 0.00 0.00 0.00 175.10 176.40 2rqa n ASN 581 N 1.90 0.00 0.07 3.32 5.03 -1.26 -4.49 115.26 119.84 2rqa n ASN 581 Ca -0.06 0.00 -0.10 0.00 0.87 0.00 0.00 54.58 55.28 2rqa n ASN 581 Cb 0.50 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 39.25 2rqa n ASN 581 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 2rqa h PRO 582 N 0.00 0.33 0.00 3.52 0.13 -1.96 -2.80 132.00 131.22 2rqa h PRO 582 Ca 0.00 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2rqa h PRO 582 Cb 0.00 0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.21 2rqa h PRO 582 CO 0.00 1.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.86 2rqa n ASN 583 N -3.75 0.00 0.09 1.44 3.02 -1.26 -3.06 115.26 111.74 2rqa n ASN 583 Ca -0.05 -0.48 -0.04 0.00 -0.03 0.00 0.00 54.58 53.98 2rqa n ASN 583 Cb 0.77 -0.15 0.15 0.00 -0.61 0.00 0.00 39.78 39.94 2rqa n ASN 583 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2rqa h PHE 584 N 0.00 0.27 -0.02 3.10 3.57 -1.76 -2.67 116.94 119.42 2rqa h PHE 584 Ca 0.00 -0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.41 2rqa h PHE 584 Cb 0.14 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 2rqa h PHE 584 CO 0.00 0.72 0.04 0.77 -2.23 0.00 0.00 178.31 177.61 2rqa h SER 585 N 0.17 0.00 0.99 0.41 0.02 -1.69 0.57 113.55 114.01 2rqa h SER 585 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2rqa h SER 585 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2rqa h SER 585 CO 0.08 0.00 -0.58 0.78 -1.14 0.00 0.00 176.83 175.98 2rqa h ASN 586 N 0.00 0.00 -0.13 3.07 2.35 -1.70 -3.23 115.58 115.95 2rqa h ASN 586 Ca 0.01 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 2rqa h ASN 586 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 2rqa h ASN 586 CO -0.00 0.08 0.00 -1.22 -1.65 0.00 0.00 177.43 174.64 2rqa n TYR 587 N -2.24 0.15 -3.58 1.19 4.01 0.19 -4.86 117.16 112.03 2rqa n TYR 587 Ca 0.03 -0.07 -0.10 0.00 -0.16 0.00 0.00 57.90 57.60 2rqa n TYR 587 Cb 0.46 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.47 2rqa n TYR 587 CO 0.00 0.00 0.00 1.52 -0.46 0.00 0.00 176.86 177.92 2rqa s TYR 588 N -1.85 -0.39 -0.07 -0.72 -0.85 -0.83 -0.21 117.35 112.42 2rqa s TYR 588 Ca 0.34 0.11 0.01 0.00 -0.52 0.00 0.00 57.07 57.01 2rqa s TYR 588 Cb 0.20 0.61 0.02 0.00 0.38 0.00 0.00 41.96 43.17 2rqa s TYR 588 CO 0.30 -0.93 -0.08 -0.80 -1.52 0.00 0.00 175.55 172.53 2rqa s ASN 589 N -2.78 1.63 0.32 -0.18 0.01 -0.98 -4.68 114.94 108.28 2rqa s ASN 589 Ca 0.05 -0.23 -0.28 0.00 -0.71 0.00 0.00 52.86 51.69 2rqa s ASN 589 Cb -0.02 -0.69 -0.09 0.00 0.41 0.00 0.00 41.25 40.85 2rqa s ASN 589 CO -0.06 -0.05 1.13 -0.69 -1.51 0.00 0.00 177.10 175.93 2rqa s VAL 590 N 1.11 3.35 1.19 1.60 1.01 -1.26 -3.09 120.40 124.32 2rqa s VAL 590 Ca -0.07 1.28 -0.18 0.00 0.00 0.00 0.00 61.98 63.02 2rqa s VAL 590 Cb -0.14 -3.78 0.22 0.00 0.00 0.00 0.00 36.38 32.67 2rqa s VAL 590 CO -0.01 0.25 0.45 -0.24 0.00 0.00 0.00 175.10 175.55 2rqa n SER 591 N 0.79 -2.81 0.07 3.32 2.88 0.57 -4.93 113.62 113.51 2rqa n SER 591 Ca 0.01 -0.36 -0.21 0.00 -1.33 0.00 0.00 58.87 56.97 2rqa n SER 591 Cb 0.45 -0.98 -0.14 0.00 -0.75 0.00 0.00 64.21 62.80 2rqa n SER 591 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2rqa h ARG 592 N -2.69 0.42 -6.77 -1.46 2.43 -1.94 -3.46 114.38 100.90 2rqa h ARG 592 Ca -0.46 -0.64 -0.57 0.00 -0.81 0.00 0.00 59.98 57.50 2rqa h ARG 592 Cb 1.21 0.23 0.17 0.00 -0.42 0.00 0.00 29.97 31.15 2rqa h ARG 592 CO 0.32 1.29 0.02 -0.25 -1.51 0.00 0.00 179.97 179.84 2rqa n ASP 593 N -4.00 0.40 0.00 -3.80 9.92 -1.26 -4.99 116.55 112.82 2rqa n ASP 593 Ca -0.14 0.79 0.00 0.00 -0.53 0.00 0.00 54.79 54.91 2rqa n ASP 593 Cb 0.89 -1.35 0.00 0.00 -0.64 0.00 0.00 41.12 40.02 2rqa n ASP 593 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2rqa n PRO 594 N -0.86 0.00 -3.91 -0.24 -0.04 -1.26 -4.79 135.00 123.90 2rqa n PRO 594 Ca 0.13 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.24 2rqa n PRO 594 Cb 0.47 -0.15 -0.10 0.00 -0.04 0.00 0.00 33.50 33.69 2rqa n PRO 594 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2rqa s VAL 595 N -0.01 4.77 -0.49 0.52 1.01 -1.26 -4.07 120.40 120.88 2rqa s VAL 595 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 61.99 2rqa s VAL 595 Cb 0.00 -3.18 0.18 0.00 0.00 0.00 0.00 36.38 33.38 2rqa s VAL 595 CO 0.00 0.41 0.40 0.52 0.00 0.00 0.00 175.10 176.44 2rqa n VAL 596 N 3.96 -0.39 -3.94 2.92 0.31 -1.26 -5.09 118.33 114.83 2rqa n VAL 596 Ca -0.16 -3.87 -0.09 0.00 -0.01 0.00 0.00 64.34 60.21 2rqa n VAL 596 Cb 0.52 -1.82 -0.10 0.00 -0.91 0.00 0.00 33.84 31.54 2rqa n VAL 596 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2rqa s ILE 597 N -0.48 0.13 0.05 2.52 1.01 -1.26 -4.97 121.20 118.21 2rqa s ILE 597 Ca 0.31 -1.08 -0.25 0.00 0.00 0.00 0.00 60.65 59.63 2rqa s ILE 597 Cb 0.03 -0.83 -0.17 0.00 0.01 0.00 0.00 42.46 41.51 2rqa s ILE 597 CO -0.18 -0.60 1.56 0.78 0.00 0.00 0.00 174.94 176.51 2rqa h ASN 598 N 3.78 -0.16 -3.61 3.58 4.21 -2.08 -3.43 115.58 117.87 2rqa h ASN 598 Ca -0.32 -0.11 -0.35 0.00 1.21 0.00 0.00 56.30 56.72 2rqa h ASN 598 Cb 1.19 0.04 -0.32 0.00 -1.12 0.00 0.00 38.32 38.11 2rqa h ASN 598 CO 0.49 0.01 -0.76 -0.75 -1.29 0.00 0.00 177.43 175.14 2rqa s LYS 599 N -5.59 0.48 0.34 0.81 2.36 -1.26 -5.14 119.74 111.74 2rqa s LYS 599 Ca -0.14 -0.05 -0.20 0.00 -2.55 0.00 0.00 55.97 53.03 2rqa s LYS 599 Cb 0.04 -0.55 -0.10 0.00 -1.05 0.00 0.00 37.83 36.18 2rqa s LYS 599 CO 0.64 -0.04 0.84 0.08 1.55 0.00 0.00 175.35 178.41 2rqa s VAL 600 N 0.63 4.49 0.35 4.02 1.01 -1.26 -5.03 120.40 124.61 2rqa s VAL 600 Ca -0.07 1.32 0.09 0.00 0.00 0.00 0.00 61.98 63.32 2rqa s VAL 600 Cb -0.10 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.50 2rqa s VAL 600 CO -0.01 -0.11 -0.01 -0.36 0.00 0.00 0.00 175.10 174.62 2rqa s PHE 601 N -1.91 2.51 -0.26 5.22 0.40 -1.26 -5.07 117.98 117.62 2rqa s PHE 601 Ca 0.54 -0.47 -0.15 0.00 -0.60 0.00 0.00 56.93 56.24 2rqa s PHE 601 Cb -0.12 -1.50 -0.14 0.00 0.51 0.00 0.00 43.02 41.77 2rqa s PHE 601 CO 0.18 0.49 -0.22 1.17 0.70 0.00 0.00 175.22 177.54 2rqa n LYS 602 N -0.93 0.59 -0.33 0.44 3.00 -1.26 -3.94 118.16 115.72 2rqa n LYS 602 Ca -0.04 0.33 0.23 0.00 -0.00 0.00 0.00 58.31 58.83 2rqa n LYS 602 Cb 0.63 -1.55 0.46 0.00 0.00 0.00 0.00 35.03 34.57 2rqa n LYS 602 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2rqa h ASP 603 N -0.98 0.51 -2.52 3.14 5.19 -1.97 -3.38 116.42 116.42 2rqa h ASP 603 Ca -0.62 0.19 0.00 0.00 -0.62 0.00 0.00 57.03 55.98 2rqa h ASP 603 Cb 1.55 0.13 -0.23 0.00 0.18 0.00 0.00 39.33 40.97 2rqa h ASP 603 CO -0.37 -0.12 -0.17 -1.66 -3.12 0.00 0.00 179.24 173.80 2rqa s TRP 604 N -5.68 -1.06 0.59 4.55 1.48 -1.26 -4.13 118.94 113.43 2rqa s TRP 604 Ca -0.10 1.97 -0.06 0.00 -1.06 0.00 0.00 56.10 56.86 2rqa s TRP 604 Cb 0.30 0.59 0.01 0.00 -1.16 0.00 0.00 33.47 33.21 2rqa s TRP 604 CO 0.79 -0.55 0.90 -1.59 -4.06 0.00 0.00 176.95 172.44 2rqa s LYS 605 N 2.34 2.85 0.00 3.25 -2.85 0.40 -4.14 119.74 121.60 2rqa s LYS 605 Ca -0.06 -0.06 0.00 0.00 -1.00 0.00 0.00 55.97 54.84 2rqa s LYS 605 Cb -0.10 -2.28 0.00 0.00 -2.06 0.00 0.00 37.83 33.39 2rqa s LYS 605 CO -0.17 -0.73 0.00 -0.35 0.10 0.00 0.00 175.35 174.20 2rqa n PRO 606 N -2.59 -0.42 0.00 1.78 -0.04 -1.26 0.37 135.00 132.84 2rqa n PRO 606 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2rqa n PRO 606 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 2rqa n PRO 606 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rqa n GLY 607 N 3.76 -1.03 0.00 0.55 0.00 0.48 -4.01 105.19 104.93 2rqa n GLY 607 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2rqa n GLY 607 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rqa n GLY 608 N -0.06 1.00 3.73 -0.02 0.00 -1.19 -4.34 105.19 104.31 2rqa n GLY 608 Ca 0.00 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 2rqa n GLY 608 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rqa s VAL 609 N -2.00 2.52 -0.07 1.61 1.01 -1.26 0.11 120.40 122.31 2rqa s VAL 609 Ca 0.00 0.39 -0.05 0.00 0.00 0.00 0.00 61.98 62.32 2rqa s VAL 609 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 2rqa s VAL 609 CO 0.00 0.04 0.16 -0.63 0.00 0.00 0.00 175.10 174.68 2rqa s ILE 610 N 0.72 5.47 -0.04 2.22 1.01 -0.26 -0.31 121.20 130.00 2rqa s ILE 610 Ca 0.67 0.08 0.01 0.00 0.00 0.00 0.00 60.65 61.41 2rqa s ILE 610 Cb -0.44 -3.46 0.02 0.00 0.01 0.00 0.00 42.46 38.59 2rqa s ILE 610 CO 0.36 0.50 -0.04 -0.44 0.00 0.00 0.00 174.94 175.32 2rqa s SER 611 N -1.40 0.95 -0.29 3.58 0.01 -1.18 -2.13 113.70 113.24 2rqa s SER 611 Ca 0.20 -0.12 -0.28 0.00 1.31 0.00 0.00 55.95 57.06 2rqa s SER 611 Cb -0.12 -0.43 -0.06 0.00 0.21 0.00 0.00 66.02 65.61 2rqa s SER 611 CO 0.10 -0.06 2.27 0.00 0.41 0.00 0.00 173.24 175.95 2rqa h ARG 613 N 15.76 0.34 -0.26 0.00 2.43 -0.91 1.47 114.38 133.22 2rqa h ARG 613 Ca -0.36 -0.09 0.03 0.00 -0.81 0.00 0.00 59.98 58.75 2rqa h ARG 613 Cb 1.25 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.73 2rqa h ARG 613 CO 1.01 0.48 0.08 -0.91 -1.51 0.00 0.00 179.97 179.11 2rqa h ASN 614 N 0.32 0.09 0.00 -3.80 -0.26 -1.87 -3.41 115.58 106.64 2rqa h ASN 614 Ca 0.06 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 2rqa h ASN 614 Cb 0.43 0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.71 2rqa h ASN 614 CO 0.03 0.08 0.00 0.00 -1.06 0.00 0.00 177.43 176.48 2rqa n GLY 616 N 3.49 0.33 3.32 0.00 0.00 0.50 -4.94 105.19 107.88 2rqa n GLY 616 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.46 2rqa n GLY 616 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2rqa n GLU 617 N 0.00 0.26 -1.70 1.61 4.07 -1.26 -3.49 120.64 120.13 2rqa n GLU 617 Ca 0.00 0.07 -0.43 0.00 -0.06 0.00 0.00 57.16 56.73 2rqa n GLU 617 Cb 0.00 -1.74 -0.03 0.00 -0.06 0.00 0.00 31.44 29.60 2rqa n GLU 617 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2rqa n VAL 618 N 6.76 0.22 -0.05 6.31 0.31 -1.26 -2.53 118.33 128.09 2rqa n VAL 618 Ca 0.52 -0.06 -0.21 0.00 -0.01 0.00 0.00 64.34 64.59 2rqa n VAL 618 Cb 0.03 -1.81 -0.13 0.00 -0.91 0.00 0.00 33.84 31.02 2rqa n VAL 618 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 2rqa h TRP 619 N 6.03 0.22 0.00 3.52 6.55 -1.73 -3.47 115.95 127.06 2rqa h TRP 619 Ca -0.44 -0.16 0.00 0.00 0.95 0.00 0.00 58.89 59.24 2rqa h TRP 619 Cb 1.23 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.52 2rqa h TRP 619 CO 0.62 1.53 0.00 0.41 -1.05 0.00 0.00 178.44 179.95 2rqa n GLY 620 N 1.64 -0.94 3.51 1.49 0.00 -1.22 -3.40 105.19 106.26 2rqa n GLY 620 Ca -0.28 0.45 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 2rqa n GLY 620 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2rqa s LEU 621 N 0.00 0.50 -0.10 0.99 0.05 -1.15 -1.10 118.68 117.85 2rqa s LEU 621 Ca 0.00 -1.02 -0.04 0.00 0.05 0.00 0.00 54.13 53.12 2rqa s LEU 621 Cb 0.00 1.47 -0.04 0.00 -2.05 0.00 0.00 46.19 45.58 2rqa s LEU 621 CO 0.00 -1.08 0.04 -1.58 -0.55 0.00 0.00 176.35 173.18 2rqa s GLN 622 N -4.05 3.20 -0.04 1.48 0.74 0.30 -0.27 119.66 121.02 2rqa s GLN 622 Ca 0.26 -0.35 0.02 0.00 0.05 0.00 0.00 55.36 55.35 2rqa s GLN 622 Cb 0.01 -2.92 0.01 0.00 1.10 0.00 0.00 33.01 31.21 2rqa s GLN 622 CO 0.10 0.66 -0.09 -1.64 -0.55 0.00 0.00 175.29 173.76 2rqa s MET 623 N -0.75 1.18 -0.14 1.67 -1.94 -0.30 0.18 119.30 119.19 2rqa s MET 623 Ca 0.12 -0.31 -0.08 0.00 -1.71 0.00 0.00 55.69 53.71 2rqa s MET 623 Cb -0.12 -1.06 -0.04 0.00 2.01 0.00 0.00 34.83 35.62 2rqa s MET 623 CO 0.02 0.06 0.14 0.42 -0.01 0.00 0.00 175.02 175.65 2rqa s ILE 624 N 0.45 5.49 -0.24 2.53 1.09 0.16 -0.89 121.20 129.78 2rqa s ILE 624 Ca -0.08 0.21 -0.03 0.00 -1.10 0.00 0.00 60.65 59.65 2rqa s ILE 624 Cb -0.12 -3.42 0.08 0.00 -1.06 0.00 0.00 42.46 37.94 2rqa s ILE 624 CO 0.01 0.58 0.09 -0.47 -0.10 0.00 0.00 174.94 175.05 2rqa s TYR 625 N -0.71 0.78 -1.00 3.97 5.04 -0.84 -0.45 117.35 124.14 2rqa s TYR 625 Ca 0.13 -0.93 0.00 0.00 -2.44 0.00 0.00 57.07 53.84 2rqa s TYR 625 Cb -0.12 -1.06 0.00 0.00 0.35 0.00 0.00 41.96 41.13 2rqa s TYR 625 CO 0.03 -0.71 0.00 1.63 -1.34 0.00 0.00 175.55 175.16 2rqa n LYS 626 N 5.12 -0.69 -1.78 4.97 4.76 -1.26 -2.69 118.16 126.58 2rqa n LYS 626 Ca -0.06 0.78 0.00 0.00 -2.87 0.00 0.00 58.31 56.16 2rqa n LYS 626 Cb 0.45 -4.72 0.00 0.00 -1.84 0.00 0.00 35.03 28.92 2rqa n LYS 626 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2rqa n SER 627 N 0.38 -1.39 -3.86 4.39 3.41 -1.26 -5.07 113.62 110.22 2rqa n SER 627 Ca -0.10 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.22 2rqa n SER 627 Cb 0.37 -0.36 -0.16 0.00 -0.26 0.00 0.00 64.21 63.80 2rqa n SER 627 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2rqa s VAL 628 N -2.67 1.11 -0.61 -3.33 1.01 -1.10 -5.07 120.40 109.74 2rqa s VAL 628 Ca 0.00 -0.91 -0.26 0.00 0.00 0.00 0.00 61.98 60.80 2rqa s VAL 628 Cb 0.00 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 2rqa s VAL 628 CO 0.00 -0.12 1.94 -0.54 0.00 0.00 0.00 175.10 176.38 2rqa s LYS 629 N 1.59 2.54 -0.28 2.72 -0.14 -1.26 -1.98 119.74 122.93 2rqa s LYS 629 Ca -0.03 0.67 -0.01 0.00 -1.36 0.00 0.00 55.97 55.23 2rqa s LYS 629 Cb -0.18 -4.45 0.04 0.00 -1.68 0.00 0.00 37.83 31.56 2rqa s LYS 629 CO -0.07 -2.85 -0.03 -0.51 -0.76 0.00 0.00 175.35 171.13 2rqa s LEU 630 N 9.60 3.60 0.29 3.17 1.43 -0.07 -4.72 118.68 131.99 2rqa s LEU 630 Ca 0.72 -1.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.39 2rqa s LEU 630 Cb -0.13 -1.68 -0.09 0.00 0.03 0.00 0.00 46.19 44.32 2rqa s LEU 630 CO 0.20 -0.21 1.08 -2.16 0.23 0.00 0.00 176.35 175.49 2rqa s PRO 631 N 1.27 4.60 -0.48 1.29 0.04 -1.26 -1.15 135.00 139.31 2rqa s PRO 631 Ca -0.04 1.73 -0.10 0.00 0.04 0.00 0.00 61.00 62.64 2rqa s PRO 631 Cb -0.19 -3.11 0.12 0.00 0.04 0.00 0.00 34.50 31.36 2rqa s PRO 631 CO -0.03 0.20 0.36 0.08 0.04 0.00 0.00 177.00 177.65 2rqa s VAL 632 N -1.23 4.29 0.44 -0.36 1.01 0.62 -2.77 120.40 122.41 2rqa s VAL 632 Ca 0.46 -1.77 0.08 0.00 0.00 0.00 0.00 61.98 60.75 2rqa s VAL 632 Cb -0.30 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.26 2rqa s VAL 632 CO 0.38 -0.79 0.47 -0.76 0.00 0.00 0.00 175.10 174.41 2rqa s LEU 633 N 1.38 3.40 0.00 3.92 2.01 -1.21 -2.96 118.68 125.21 2rqa s LEU 633 Ca 0.06 -0.70 0.02 0.00 0.01 0.00 0.00 54.13 53.52 2rqa s LEU 633 Cb -0.27 -2.13 0.03 0.00 0.01 0.00 0.00 46.19 43.83 2rqa s LEU 633 CO -0.00 -0.77 0.20 0.29 1.01 0.00 0.00 176.35 177.08 2rqa n LYS 634 N -1.71 0.78 -0.02 1.70 5.02 -1.22 -4.66 118.16 118.06 2rqa n LYS 634 Ca 0.05 -0.71 0.03 0.00 -2.02 0.00 0.00 58.31 55.66 2rqa n LYS 634 Cb 0.61 -0.08 -0.09 0.00 -0.02 0.00 0.00 35.03 35.45 2rqa n LYS 634 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2rqa n VAL 635 N -1.42 0.20 0.79 -0.18 3.14 -1.26 -3.97 118.33 115.64 2rqa n VAL 635 Ca 0.04 -0.33 0.13 0.00 -2.96 0.00 0.00 64.34 61.22 2rqa n VAL 635 Cb 0.14 -0.02 0.38 0.00 -1.06 0.00 0.00 33.84 33.28 2rqa n VAL 635 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 2rqa n ARG 636 N -2.05 0.14 -0.00 1.45 0.00 -1.20 -3.30 116.66 111.70 2rqa n ARG 636 Ca -0.06 0.08 0.09 0.00 -0.00 0.00 0.00 57.85 57.96 2rqa n ARG 636 Cb 0.46 -1.63 -0.13 0.00 -0.00 0.00 0.00 32.46 31.16 2rqa n ARG 636 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2rqa n SER 637 N -1.86 0.71 -4.47 2.89 7.64 -1.26 -4.82 113.62 112.46 2rqa n SER 637 Ca 0.05 -0.43 -0.34 0.00 1.01 0.00 0.00 58.87 59.16 2rqa n SER 637 Cb 0.39 1.48 -0.13 0.00 -1.01 0.00 0.00 64.21 64.94 2rqa n SER 637 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2rqa s MET 638 N -3.08 3.61 0.15 1.43 -1.94 -1.21 -2.60 119.30 115.66 2rqa s MET 638 Ca -0.01 -0.55 -0.04 0.00 -1.71 0.00 0.00 55.69 53.39 2rqa s MET 638 Cb 0.13 -2.90 -0.05 0.00 2.01 0.00 0.00 34.83 34.02 2rqa s MET 638 CO 0.79 0.19 0.38 -1.17 -0.01 0.00 0.00 175.02 175.20 2rqa s LEU 639 N 0.49 4.26 -0.52 -0.03 0.20 0.11 -4.70 118.68 118.49 2rqa s LEU 639 Ca -0.04 0.55 -0.02 0.00 0.69 0.00 0.00 54.13 55.31 2rqa s LEU 639 Cb -0.14 -3.28 0.14 0.00 -0.43 0.00 0.00 46.19 42.47 2rqa s LEU 639 CO 0.03 0.03 0.32 -0.76 -0.29 0.00 0.00 176.35 175.68 2rqa s LEU 640 N -2.79 5.18 -0.11 -0.68 2.01 -0.73 -2.20 118.68 119.36 2rqa s LEU 640 Ca 0.40 -2.50 -0.30 0.00 0.01 0.00 0.00 54.13 51.75 2rqa s LEU 640 Cb -0.12 -1.82 -0.03 0.00 0.01 0.00 0.00 46.19 44.23 2rqa s LEU 640 CO 0.26 -0.44 1.31 -1.61 1.01 0.00 0.00 176.35 176.88 2rqa s GLU 641 N 0.46 4.26 0.15 1.70 2.02 -1.11 -2.29 118.70 123.88 2rqa s GLU 641 Ca 0.13 1.76 0.05 0.00 0.02 0.00 0.00 54.97 56.93 2rqa s GLU 641 Cb -0.22 -3.73 -0.04 0.00 0.10 0.00 0.00 34.13 30.24 2rqa s GLU 641 CO -0.04 -0.66 -0.10 0.95 0.02 0.00 0.00 175.26 175.43 2rqa s THR 642 N 3.19 1.20 -2.00 3.63 -4.23 -1.26 -2.44 115.64 113.73 2rqa s THR 642 Ca 0.58 -2.07 0.20 0.00 -1.18 0.00 0.00 61.69 59.22 2rqa s THR 642 Cb -0.25 -1.87 0.56 0.00 1.34 0.00 0.00 72.50 72.28 2rqa s THR 642 CO 0.19 -0.73 1.60 -0.81 -0.54 0.00 0.00 174.62 174.33 2rqa n PRO 643 N -0.21 0.75 0.00 3.99 -0.04 -1.26 -1.93 135.00 136.30 2rqa n PRO 643 Ca -0.10 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.42 2rqa n PRO 643 Cb 0.61 -1.41 -0.00 0.00 -0.04 0.00 0.00 33.50 32.66 2rqa n PRO 643 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2rqa n GLN 644 N -0.91 1.88 0.00 0.54 6.02 -1.26 -5.07 117.38 118.58 2rqa n GLN 644 Ca 0.15 -0.70 0.00 0.00 -0.01 0.00 0.00 57.00 56.43 2rqa n GLN 644 Cb 0.07 -1.16 0.00 0.00 1.02 0.00 0.00 30.24 30.17 2rqa n GLN 644 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2rqa n GLY 645 N 0.99 3.74 3.66 1.08 0.00 -0.81 -5.08 105.19 108.76 2rqa n GLY 645 Ca 0.05 -1.54 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 2rqa n GLY 645 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rqa n ARG 646 N -0.90 1.34 -3.80 1.61 1.74 -1.26 -3.98 116.66 111.41 2rqa n ARG 646 Ca 0.00 0.49 -0.22 0.00 -0.77 0.00 0.00 57.85 57.36 2rqa n ARG 646 Cb 0.00 -2.26 -0.17 0.00 -1.02 0.00 0.00 32.46 29.01 2rqa n ARG 646 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2rqa s ILE 647 N -1.36 0.30 -0.26 0.55 1.01 -0.97 -4.96 121.20 115.52 2rqa s ILE 647 Ca 0.69 0.14 0.03 0.00 0.00 0.00 0.00 60.65 61.52 2rqa s ILE 647 Cb -0.46 -0.46 0.06 0.00 0.01 0.00 0.00 42.46 41.61 2rqa s ILE 647 CO 0.52 0.24 -0.10 -1.58 0.00 0.00 0.00 174.94 174.01 2rqa s GLN 648 N 1.84 2.13 0.51 2.79 -0.44 -1.26 -1.77 119.66 123.46 2rqa s GLN 648 Ca 0.03 -1.31 0.07 0.00 -2.50 0.00 0.00 55.36 51.65 2rqa s GLN 648 Cb -0.12 -2.85 0.03 0.00 -1.64 0.00 0.00 33.01 28.42 2rqa s GLN 648 CO -0.04 -0.58 0.46 0.00 0.50 0.00 0.00 175.29 175.63 2rqa s ALA 649 N 1.14 4.37 0.00 1.58 0.00 -1.26 -5.04 121.76 122.55 2rqa s ALA 649 Ca -0.08 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.27 2rqa s ALA 649 Cb -0.20 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 21.99 2rqa s ALA 649 CO -0.05 -0.46 0.47 1.63 0.00 0.00 0.00 175.76 177.36 2rqa n LYS 650 N -1.78 -0.28 -3.79 0.00 5.02 -1.26 -3.25 118.16 112.82 2rqa n LYS 650 Ca 0.03 -0.54 -0.13 0.00 -2.02 0.00 0.00 58.31 55.65 2rqa n LYS 650 Cb 0.63 -0.89 -0.13 0.00 -0.02 0.00 0.00 35.03 34.62 2rqa n LYS 650 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2rqa s LYS 651 N -0.13 0.20 0.14 1.97 3.01 -1.26 -4.58 119.74 119.10 2rqa s LYS 651 Ca 0.00 0.32 0.16 0.00 -1.01 0.00 0.00 55.97 55.44 2rqa s LYS 651 Cb 0.00 0.04 0.73 0.00 -1.01 0.00 0.00 37.83 37.59 2rqa s LYS 651 CO 0.00 -0.06 1.51 0.91 0.51 0.00 0.00 175.35 178.22 2rqa n TRP 652 N 3.31 0.39 0.27 3.18 7.02 -1.26 -1.06 117.44 129.29 2rqa n TRP 652 Ca -0.16 0.17 0.16 0.00 -1.02 0.00 0.00 57.50 56.65 2rqa n TRP 652 Cb 0.57 -0.77 0.59 0.00 -2.42 0.00 0.00 31.31 29.28 2rqa n TRP 652 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2rqa h SER 653 N 0.00 0.00 0.00 -0.99 0.87 -2.01 -2.74 113.55 108.68 2rqa h SER 653 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2rqa h SER 653 Cb 0.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2rqa h SER 653 CO 0.00 0.00 -1.48 0.54 -0.53 0.00 0.00 176.83 175.36 2rqa n ARG 654 N -3.09 0.75 -1.47 2.24 5.12 -0.22 -5.00 116.66 114.98 2rqa n ARG 654 Ca 0.01 -0.11 -0.56 0.00 -1.93 0.00 0.00 57.85 55.27 2rqa n ARG 654 Cb 0.35 -1.41 -0.06 0.00 -1.16 0.00 0.00 32.46 30.18 2rqa n ARG 654 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2rqa n VAL 655 N -1.88 0.59 0.01 1.55 0.31 -1.04 -4.88 118.33 113.00 2rqa n VAL 655 Ca -0.01 -0.15 -0.10 0.00 -0.01 0.00 0.00 64.34 64.07 2rqa n VAL 655 Cb 0.41 -0.02 -0.08 0.00 -0.91 0.00 0.00 33.84 33.24 2rqa n VAL 655 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2rqa h PRO 656 N 2.44 -0.13 -7.27 5.55 0.13 -1.92 -3.46 132.00 127.35 2rqa h PRO 656 Ca -0.44 0.01 -0.43 0.00 -0.87 0.00 0.00 66.00 64.26 2rqa h PRO 656 Cb 1.43 0.03 0.19 0.00 0.13 0.00 0.00 31.00 32.78 2rqa h PRO 656 CO 0.63 0.37 0.09 -0.59 -0.23 0.00 0.00 178.00 178.27 2rqa s PHE 657 N -3.00 1.32 0.13 1.56 -0.71 -1.24 -4.68 117.98 111.36 2rqa s PHE 657 Ca -0.13 0.89 0.11 0.00 -1.04 0.00 0.00 56.93 56.77 2rqa s PHE 657 Cb -0.00 -3.21 -0.04 0.00 -1.21 0.00 0.00 43.02 38.55 2rqa s PHE 657 CO 0.47 -3.61 -0.26 -1.12 -1.34 0.00 0.00 175.22 169.36 2rqa s SER 658 N -3.23 3.25 -0.19 1.98 0.01 -1.26 -5.02 113.70 109.24 2rqa s SER 658 Ca 0.68 -0.75 -0.05 0.00 1.31 0.00 0.00 55.95 57.15 2rqa s SER 658 Cb -0.18 -0.21 0.10 0.00 0.21 0.00 0.00 66.02 65.93 2rqa s SER 658 CO 0.60 0.17 0.33 0.54 0.41 0.00 0.00 173.24 175.28 2rqa s VAL 659 N -1.08 -0.52 0.99 3.43 0.11 -1.26 -4.81 120.40 117.27 2rqa s VAL 659 Ca 0.13 0.08 -0.15 0.00 -2.93 0.00 0.00 61.98 59.12 2rqa s VAL 659 Cb -0.10 -0.65 0.19 0.00 -1.53 0.00 0.00 36.38 34.29 2rqa s VAL 659 CO 0.06 -0.02 1.18 -2.16 -3.33 0.00 0.00 175.10 170.83 2rqa s PRO 660 N 2.49 0.49 0.54 1.54 0.04 -1.26 -4.41 135.00 134.44 2rqa s PRO 660 Ca 0.05 0.04 -0.19 0.00 0.04 0.00 0.00 61.00 60.94 2rqa s PRO 660 Cb -0.14 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 2rqa s PRO 660 CO -0.12 -2.59 1.10 -0.51 0.04 0.00 0.00 177.00 174.92 2rqa s ASP 661 N -4.21 5.82 -0.25 6.66 1.11 -1.26 -1.63 116.67 122.92 2rqa s ASP 661 Ca 0.68 2.08 -0.28 0.00 0.18 0.00 0.00 52.55 55.20 2rqa s ASP 661 Cb -0.11 -2.57 -0.04 0.00 1.07 0.00 0.00 42.92 41.27 2rqa s ASP 661 CO 0.54 -1.14 2.00 0.12 1.18 0.00 0.00 175.17 177.86 2rqa s PHE 662 N -1.92 1.49 -0.27 4.23 5.36 0.35 -4.79 117.98 122.43 2rqa s PHE 662 Ca 0.70 0.52 -0.28 0.00 -0.96 0.00 0.00 56.93 56.92 2rqa s PHE 662 Cb -0.21 -4.03 0.01 0.00 -0.34 0.00 0.00 43.02 38.45 2rqa s PHE 662 CO 0.27 -3.65 0.99 -0.51 -1.46 0.00 0.00 175.22 170.87 2rqa s ASP 663 N 6.95 6.96 0.10 6.13 1.11 -1.26 -4.86 116.67 131.80 2rqa s ASP 663 Ca 0.90 1.14 -0.13 0.00 0.18 0.00 0.00 52.55 54.64 2rqa s ASP 663 Cb -0.29 -2.51 -0.17 0.00 1.07 0.00 0.00 42.92 41.02 2rqa s ASP 663 CO 0.34 -0.71 1.28 0.15 1.18 0.00 0.00 175.17 177.41 2rqa h PHE 664 N 7.77 1.06 -0.39 4.23 3.57 -1.97 0.15 116.94 131.35 2rqa h PHE 664 Ca -0.21 -0.50 -0.03 0.00 3.53 0.00 0.00 57.97 60.77 2rqa h PHE 664 Cb 1.07 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 2rqa h PHE 664 CO 0.78 1.33 0.11 -0.07 -2.23 0.00 0.00 178.31 178.24 2rqa h LEU 665 N 0.50 0.51 0.05 0.59 3.38 -1.97 0.40 115.31 118.76 2rqa h LEU 665 Ca -0.07 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2rqa h LEU 665 Cb 1.49 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2rqa h LEU 665 CO 0.17 0.50 -0.02 -0.61 0.09 0.00 0.00 178.44 178.57 2rqa h GLN 666 N 0.55 -0.06 -1.01 1.13 -0.00 -1.95 -1.57 115.11 112.21 2rqa h GLN 666 Ca 0.13 0.00 0.26 0.00 -0.00 0.00 0.00 58.65 59.05 2rqa h GLN 666 Cb 0.18 0.01 -0.13 0.00 0.00 0.00 0.00 27.48 27.55 2rqa h GLN 666 CO -0.01 -0.04 0.60 1.25 0.00 0.00 0.00 178.83 180.63 2rqa h HIS 667 N -0.45 0.98 -0.28 3.99 2.76 -0.99 1.53 115.15 122.70 2rqa h HIS 667 Ca -0.01 0.04 -0.11 0.00 -2.20 0.00 0.00 60.37 58.08 2rqa h HIS 667 Cb 0.05 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.72 2rqa h HIS 667 CO 0.01 0.02 -0.30 0.00 -1.30 0.00 0.00 177.93 176.36 2rqa n ALA 669 N -2.50 1.75 0.21 0.00 0.00 0.49 -0.51 120.51 119.96 2rqa n ALA 669 Ca -0.01 -0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.44 2rqa n ALA 669 Cb 0.45 -1.31 0.01 0.00 0.00 0.00 0.00 19.45 18.61 2rqa n ALA 669 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2rqa n GLU 670 N -1.74 1.06 -0.00 0.00 -0.58 0.45 -4.48 120.64 115.34 2rqa n GLU 670 Ca 0.04 -0.61 0.06 0.00 -0.42 0.00 0.00 57.16 56.22 2rqa n GLU 670 Cb 0.21 -1.01 -0.08 0.00 -0.57 0.00 0.00 31.44 29.99 2rqa n GLU 670 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2rqa n ASN 671 N -0.04 1.44 -3.49 1.62 5.03 0.21 -5.00 115.26 115.03 2rqa n ASN 671 Ca 0.02 -0.35 -0.11 0.00 0.87 0.00 0.00 54.58 55.01 2rqa n ASN 671 Cb 0.11 1.31 0.03 0.00 -1.02 0.00 0.00 39.78 40.21 2rqa n ASN 671 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2rqa n LEU 672 N -1.64 0.00 0.00 3.41 4.77 0.34 -5.03 117.00 118.84 2rqa n LEU 672 Ca -0.00 -1.33 0.00 0.00 -0.03 0.00 0.00 56.01 54.65 2rqa n LEU 672 Cb 0.26 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2rqa n LEU 672 CO 0.25 -0.56 0.38 -1.20 -1.33 0.00 0.00 177.39 174.94 2rqa n SER 673 N -2.45 1.45 0.12 -1.43 7.64 -1.26 -4.66 113.62 113.02 2rqa n SER 673 Ca 0.06 -1.55 0.20 0.00 1.01 0.00 0.00 58.87 58.58 2rqa n SER 673 Cb 0.31 0.00 0.75 0.00 -1.01 0.00 0.00 64.21 64.26 2rqa n SER 673 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2rqa h ASP 674 N 0.00 0.00 0.00 6.43 3.58 -1.92 -2.88 116.42 121.63 2rqa h ASP 674 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2rqa h ASP 674 Cb 0.35 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2rqa h ASP 674 CO 0.00 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 176.54 2rqa n LEU 675 N -3.65 0.04 -3.78 2.28 7.99 -1.26 -5.07 117.00 113.54 2rqa n LEU 675 Ca 0.06 0.29 -0.09 0.00 -0.01 0.00 0.00 56.01 56.26 2rqa n LEU 675 Cb 0.59 -0.49 -0.04 0.00 -0.11 0.00 0.00 43.42 43.37 2rqa n LEU 675 CO 0.26 -0.49 0.25 -0.44 -1.51 0.00 0.00 177.39 175.46 2rqa s SER 676 N -3.35 -0.22 -0.16 -1.43 0.01 -1.09 -5.07 113.70 102.39 2rqa s SER 676 Ca 0.00 -0.55 -0.20 0.00 1.31 0.00 0.00 55.95 56.51 2rqa s SER 676 Cb 0.00 0.57 -0.23 0.00 0.21 0.00 0.00 66.02 66.57 2rqa s SER 676 CO 0.00 -1.05 0.42 -0.07 0.41 0.00 0.00 173.24 172.94 2rqa h LEU 677 N 2.22 0.14 0.00 2.44 4.07 -1.93 -3.41 115.31 118.85 2rqa h LEU 677 Ca -0.28 -0.72 0.00 0.00 0.08 0.00 0.00 57.88 56.95 2rqa h LEU 677 Cb 1.26 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.95 2rqa h LEU 677 CO 0.38 1.48 0.00 -0.67 -1.08 0.00 0.00 178.44 178.54