#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqa n PRO 543 N 0.00 -1.61 -4.11 1.61 -0.04 -1.26 -5.05 135.00 124.54 2rqa n PRO 543 Ca 0.00 -1.26 -0.35 0.00 -0.04 0.00 0.00 63.50 61.86 2rqa n PRO 543 Cb 0.00 -0.99 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 2rqa n PRO 543 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2rqa s HIS 544 N -2.62 3.23 -0.53 0.54 3.76 -1.26 -5.00 115.29 113.41 2rqa s HIS 544 Ca 0.48 0.07 -0.03 0.00 -0.15 0.00 0.00 55.06 55.43 2rqa s HIS 544 Cb -0.03 -2.01 0.14 0.00 1.11 0.00 0.00 32.58 31.79 2rqa s HIS 544 CO 0.35 0.21 2.55 -1.33 -0.85 0.00 0.00 174.74 175.68 2rqa n MET 545 N 3.22 2.44 -5.05 1.40 2.81 -1.26 -4.91 117.12 115.78 2rqa n MET 545 Ca -0.17 -2.57 -0.32 0.00 -1.81 0.00 0.00 57.70 52.83 2rqa n MET 545 Cb 0.53 -2.14 -0.15 0.00 -0.71 0.00 0.00 33.22 30.75 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 -2.27 2.62 -0.27 0.03 1.11 -1.26 -5.10 119.66 114.52 2rqa s GLN 546 Ca 0.56 -0.79 0.00 0.00 0.01 0.00 0.00 55.36 55.14 2rqa s GLN 546 Cb 0.39 -2.31 0.15 0.00 -1.01 0.00 0.00 33.01 30.23 2rqa s GLN 546 CO -0.24 0.47 0.39 -0.06 0.01 0.00 0.00 175.29 175.86 2rqa s PHE 547 N -0.35 -0.92 0.26 0.91 0.40 -1.26 -5.03 117.98 111.98 2rqa s PHE 547 Ca 0.03 0.47 -0.30 0.00 -0.60 0.00 0.00 56.93 56.53 2rqa s PHE 547 Cb -0.12 -0.11 -0.09 0.00 0.51 0.00 0.00 43.02 43.20 2rqa s PHE 547 CO 0.02 -0.89 1.09 -1.25 0.70 0.00 0.00 175.22 174.88 2rqa s PRO 548 N 2.54 4.65 0.29 0.24 0.04 -1.26 -3.98 135.00 137.52 2rqa s PRO 548 Ca 0.11 1.76 0.04 0.00 0.04 0.00 0.00 61.00 62.95 2rqa s PRO 548 Cb -0.13 -3.21 0.73 0.00 0.04 0.00 0.00 34.50 31.92 2rqa s PRO 548 CO -0.26 0.22 1.72 -0.39 0.04 0.00 0.00 177.00 178.33 2rqa h VAL 549 N 3.22 0.55 -0.75 -0.36 -1.51 -1.87 0.90 116.25 116.42 2rqa h VAL 549 Ca -0.46 -0.17 0.14 0.00 -1.23 0.00 0.00 66.70 64.98 2rqa h VAL 549 Cb 1.21 0.00 -0.05 0.00 -2.13 0.00 0.00 31.29 30.32 2rqa h VAL 549 CO 0.68 0.09 0.50 1.05 -1.23 0.00 0.00 177.57 178.66 2rqa h GLU 550 N 0.50 0.42 0.00 5.19 4.11 -1.91 0.57 114.58 123.46 2rqa h GLU 550 Ca 0.56 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.97 2rqa h GLU 550 Cb 1.01 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2rqa h GLU 550 CO -0.48 0.28 -0.37 0.45 0.07 0.00 0.00 179.01 178.96 2rqa h HIS 551 N 0.44 0.00 -3.32 2.06 3.86 0.38 -3.44 115.15 115.12 2rqa h HIS 551 Ca 0.37 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 59.00 2rqa h HIS 551 Cb 0.81 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.19 2rqa h HIS 551 CO -0.00 0.00 -0.21 0.08 0.86 0.00 0.00 177.93 178.66 2rqa s VAL 552 N -3.25 5.23 -0.01 2.45 1.01 0.20 -4.29 120.40 121.74 2rqa s VAL 552 Ca 0.05 0.80 0.08 0.00 0.00 0.00 0.00 61.98 62.91 2rqa s VAL 552 Cb 0.08 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 2rqa s VAL 552 CO 0.71 0.34 -0.24 -1.58 0.00 0.00 0.00 175.10 174.33 2rqa s GLN 553 N 0.61 2.11 -0.42 2.72 0.74 -1.22 -1.03 119.66 123.18 2rqa s GLN 553 Ca 0.22 -0.93 -0.27 0.00 0.05 0.00 0.00 55.36 54.43 2rqa s GLN 553 Cb -0.14 -2.08 0.02 0.00 1.10 0.00 0.00 33.01 31.91 2rqa s GLN 553 CO 0.08 0.56 1.01 -0.51 -0.55 0.00 0.00 175.29 175.88 2rqa s LEU 554 N -0.76 3.88 0.40 3.68 1.43 -0.58 -3.20 118.68 123.53 2rqa s LEU 554 Ca 0.11 0.49 0.05 0.00 -1.03 0.00 0.00 54.13 53.75 2rqa s LEU 554 Cb -0.10 -3.37 -0.02 0.00 0.03 0.00 0.00 46.19 42.73 2rqa s LEU 554 CO -0.00 -1.03 0.19 -0.76 0.23 0.00 0.00 176.35 174.98 2rqa s LEU 555 N 3.86 1.93 -0.48 1.79 1.02 -0.89 0.49 118.68 126.41 2rqa s LEU 555 Ca 0.42 -1.75 -0.11 0.00 0.02 0.00 0.00 54.13 52.70 2rqa s LEU 555 Cb -0.10 0.13 0.11 0.00 0.02 0.00 0.00 46.19 46.34 2rqa s LEU 555 CO 0.24 -1.02 0.37 0.00 0.02 0.00 0.00 176.35 175.96 2rqa n ILE 557 N 5.02 -0.20 0.08 0.00 -5.35 -1.11 0.27 119.36 118.06 2rqa n ILE 557 Ca -0.10 1.15 -0.04 0.00 -0.27 0.00 0.00 62.75 63.48 2rqa n ILE 557 Cb 0.41 -1.87 -0.02 0.00 -1.74 0.00 0.00 39.64 36.42 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 -0.23 0.00 7.28 4.21 -1.92 -3.41 115.58 121.51 2rqa h ASN 558 Ca 0.52 0.01 0.00 0.00 1.21 0.00 0.00 56.30 58.04 2rqa h ASN 558 Cb 1.53 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 38.80 2rqa h ASN 558 CO -0.37 0.13 0.00 0.00 -1.29 0.00 0.00 177.43 175.90 2rqa n MET 560 N -1.89 -0.99 0.00 0.00 2.81 0.76 -4.85 117.12 112.96 2rqa n MET 560 Ca 0.00 0.11 0.08 0.00 -1.81 0.00 0.00 57.70 56.08 2rqa n MET 560 Cb 0.00 -2.93 0.04 0.00 -0.71 0.00 0.00 33.22 29.62 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 -2.59 0.00 -1.05 2.03 0.24 -1.26 -4.83 118.33 110.87 2rqa n VAL 561 Ca -0.00 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 2rqa n VAL 561 Cb 0.51 1.28 0.00 0.00 -1.47 0.00 0.00 33.84 34.16 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 0.46 -2.33 0.85 2.33 0.00 -1.26 -4.98 120.51 115.58 2rqa n ALA 562 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.62 2rqa n ALA 562 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.80 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 0.35 0.00 -3.08 0.00 0.24 0.18 -4.93 118.33 111.09 2rqa n VAL 563 Ca 0.00 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 2rqa n VAL 563 Cb 0.00 1.15 0.00 0.00 -1.47 0.00 0.00 33.84 33.52 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 1.33 0.91 3.25 7.63 0.00 0.61 -4.63 105.19 114.28 2rqa n GLY 564 Ca 0.06 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.29 1.64 -0.97 1.61 3.76 -1.26 -1.53 115.29 116.26 2rqa s HIS 565 Ca 0.00 -0.41 0.20 0.00 -0.15 0.00 0.00 55.06 54.70 2rqa s HIS 565 Cb 0.00 -0.93 0.83 0.00 1.11 0.00 0.00 32.58 33.59 2rqa s HIS 565 CO 0.00 0.14 1.62 0.41 -0.85 0.00 0.00 174.74 176.07 2rqa n GLY 566 N 1.34 -1.18 0.41 -2.22 0.00 -0.20 -2.02 105.19 101.33 2rqa n GLY 566 Ca -0.19 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 45.81 2rqa n GLY 566 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2rqa n SER 567 N -1.56 2.51 -0.01 1.61 7.64 -1.25 -4.40 113.62 118.17 2rqa n SER 567 Ca 0.05 -1.93 0.07 0.00 1.01 0.00 0.00 58.87 58.07 2rqa n SER 567 Cb 0.23 -0.14 -0.11 0.00 -1.01 0.00 0.00 64.21 63.18 2rqa n SER 567 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2rqa n ASP 568 N 0.20 1.46 -4.94 6.43 10.43 -0.85 -4.99 116.55 124.29 2rqa n ASP 568 Ca 0.07 -0.13 -0.25 0.00 2.57 0.00 0.00 54.79 57.06 2rqa n ASP 568 Cb 0.35 1.57 0.02 0.00 1.84 0.00 0.00 41.12 44.90 2rqa n ASP 568 CO 0.00 0.00 0.00 -1.48 -1.07 0.00 0.00 177.20 174.65 2rqa s LEU 569 N -3.82 3.51 0.00 0.64 0.05 -1.16 -3.83 118.68 114.07 2rqa s LEU 569 Ca -0.04 0.48 0.02 0.00 0.05 0.00 0.00 54.13 54.64 2rqa s LEU 569 Cb 0.10 -3.35 -0.01 0.00 -2.05 0.00 0.00 46.19 40.89 2rqa s LEU 569 CO 0.61 -0.81 0.10 0.54 -0.55 0.00 0.00 176.35 176.24 2rqa n ARG 570 N -2.26 0.15 -4.03 1.48 5.12 0.48 -4.49 116.66 113.10 2rqa n ARG 570 Ca 0.02 -0.97 -0.34 0.00 -1.93 0.00 0.00 57.85 54.64 2rqa n ARG 570 Cb 0.57 0.83 -0.15 0.00 -1.16 0.00 0.00 32.46 32.55 2rqa n ARG 570 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2rqa s LYS 571 N -2.37 3.04 -0.38 5.56 2.20 0.44 -0.42 119.74 127.82 2rqa s LYS 571 Ca 0.11 -0.82 -0.29 0.00 -0.36 0.00 0.00 55.97 54.62 2rqa s LYS 571 Cb 0.00 -2.78 0.02 0.00 -1.51 0.00 0.00 37.83 33.56 2rqa s LYS 571 CO 0.08 -0.25 1.23 0.08 -0.36 0.00 0.00 175.35 176.13 2rqa s VAL 572 N 1.34 4.18 -1.04 4.02 1.01 -1.11 0.17 120.40 128.97 2rqa s VAL 572 Ca 0.04 1.28 -0.08 0.00 0.00 0.00 0.00 61.98 63.22 2rqa s VAL 572 Cb -0.14 -4.36 0.07 0.00 0.00 0.00 0.00 36.38 31.95 2rqa s VAL 572 CO -0.09 -0.70 0.32 -1.84 0.00 0.00 0.00 175.10 172.79 2rqa n GLU 573 N 7.55 -2.78 -4.27 2.72 0.28 -1.26 0.06 120.64 122.94 2rqa n GLU 573 Ca 0.14 0.35 -0.37 0.00 -0.16 0.00 0.00 57.16 57.11 2rqa n GLU 573 Cb 0.48 -4.97 -0.04 0.00 1.43 0.00 0.00 31.44 28.33 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 -0.95 -0.44 0.57 -1.84 0.00 -1.23 -4.79 105.19 96.51 2rqa n GLY 574 Ca -0.01 0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.22 0.81 -3.72 2.61 -1.04 0.11 -5.04 114.28 103.79 2rqa n THR 575 Ca 0.09 -0.17 -0.12 0.00 -2.04 0.00 0.00 64.05 61.82 2rqa n THR 575 Cb 0.48 -1.71 -0.12 0.00 -1.82 0.00 0.00 70.33 67.16 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 -2.27 -0.47 0.45 -1.42 3.76 -1.22 -5.02 115.29 109.11 2rqa s HIS 576 Ca -0.19 1.05 -0.25 0.00 -0.15 0.00 0.00 55.06 55.51 2rqa s HIS 576 Cb 0.07 0.17 -0.09 0.00 1.11 0.00 0.00 32.58 33.84 2rqa s HIS 576 CO 0.25 -0.28 1.30 0.72 -0.85 0.00 0.00 174.74 175.88 2rqa n HIS 577 N 4.03 2.22 -3.71 1.40 8.25 -1.26 -2.76 115.22 123.39 2rqa n HIS 577 Ca -0.22 0.48 -0.11 0.00 -0.26 0.00 0.00 57.72 57.60 2rqa n HIS 577 Cb 0.55 -2.38 -0.12 0.00 1.12 0.00 0.00 29.99 29.16 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 -1.22 -0.03 -0.16 1.59 -7.23 0.44 -4.20 120.40 109.59 2rqa s VAL 578 Ca 0.63 0.10 -0.15 0.00 -1.81 0.00 0.00 61.98 60.76 2rqa s VAL 578 Cb -0.48 -0.52 -0.05 0.00 0.56 0.00 0.00 36.38 35.89 2rqa s VAL 578 CO 0.56 0.04 0.33 0.21 -0.31 0.00 0.00 175.10 175.93 2rqa s ASN 579 N 1.24 6.47 -0.16 4.85 3.84 -1.26 -0.39 114.94 129.53 2rqa s ASN 579 Ca -0.09 0.55 -0.05 0.00 0.21 0.00 0.00 52.86 53.49 2rqa s ASN 579 Cb -0.08 -2.20 -0.03 0.00 -0.55 0.00 0.00 41.25 38.38 2rqa s ASN 579 CO -0.10 0.07 -0.01 -0.69 -2.79 0.00 0.00 177.10 173.58 2rqa s VAL 580 N 0.57 4.13 0.00 -5.21 1.01 -1.25 -4.07 120.40 115.58 2rqa s VAL 580 Ca 0.18 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.88 2rqa s VAL 580 Cb -0.13 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.43 2rqa s VAL 580 CO 0.05 0.49 0.00 -3.20 0.00 0.00 0.00 175.10 172.44 2rqa n ASN 581 N 3.48 0.00 0.00 3.32 5.15 -1.26 -4.71 115.26 121.24 2rqa n ASN 581 Ca -0.17 0.00 -0.18 0.00 -0.60 0.00 0.00 54.58 53.63 2rqa n ASN 581 Cb 0.52 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.68 2rqa n ASN 581 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2rqa h PRO 582 N 0.00 0.56 0.00 1.20 0.13 -1.97 -2.99 132.00 128.93 2rqa h PRO 582 Ca 0.00 -0.54 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2rqa h PRO 582 Cb 0.00 0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.27 2rqa h PRO 582 CO 0.00 1.17 0.02 -0.91 -0.23 0.00 0.00 178.00 178.05 2rqa h ASN 583 N 0.15 0.00 -0.42 1.44 2.35 -1.96 -0.39 115.58 116.74 2rqa h ASN 583 Ca -0.08 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.63 2rqa h ASN 583 Cb 1.39 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.73 2rqa h ASN 583 CO 0.14 0.00 0.12 0.15 -1.65 0.00 0.00 177.43 176.19 2rqa h PHE 584 N 0.00 0.75 -0.08 1.19 3.57 -1.78 -1.48 116.94 119.11 2rqa h PHE 584 Ca 0.00 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.46 2rqa h PHE 584 Cb 0.05 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 2rqa h PHE 584 CO 0.00 0.64 0.07 1.03 -2.23 0.00 0.00 178.31 177.82 2rqa h SER 585 N 0.71 0.00 0.76 0.41 0.87 -1.22 0.56 113.55 115.64 2rqa h SER 585 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 2rqa h SER 585 Cb 0.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2rqa h SER 585 CO -0.00 0.00 -0.44 0.59 -0.53 0.00 0.00 176.83 176.44 2rqa n ASN 586 N -4.14 0.51 -1.11 6.23 5.03 -0.59 -3.36 115.26 117.83 2rqa n ASN 586 Ca -0.01 0.04 0.11 0.00 0.87 0.00 0.00 54.58 55.59 2rqa n ASN 586 Cb 0.18 0.05 0.27 0.00 -1.02 0.00 0.00 39.78 39.25 2rqa n ASN 586 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2rqa n TYR 587 N -1.75 0.63 -3.52 3.10 4.01 0.19 -4.75 117.16 115.07 2rqa n TYR 587 Ca 0.05 -0.32 -0.08 0.00 -0.16 0.00 0.00 57.90 57.39 2rqa n TYR 587 Cb 0.38 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.38 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 -1.37 -0.32 -0.05 -0.72 -0.85 -0.85 -0.20 117.35 112.99 2rqa s TYR 588 Ca 0.40 0.23 0.02 0.00 -0.52 0.00 0.00 57.07 57.20 2rqa s TYR 588 Cb 0.22 0.53 0.01 0.00 0.38 0.00 0.00 41.96 43.10 2rqa s TYR 588 CO 0.30 -0.48 -0.10 -0.80 -1.52 0.00 0.00 175.55 172.95 2rqa s ASN 589 N -2.31 1.52 0.17 -0.18 0.01 -0.99 -4.68 114.94 108.49 2rqa s ASN 589 Ca 0.05 -0.25 -0.30 0.00 -0.71 0.00 0.00 52.86 51.65 2rqa s ASN 589 Cb -0.01 -0.67 -0.08 0.00 0.41 0.00 0.00 41.25 40.90 2rqa s ASN 589 CO -0.07 0.02 1.21 -0.69 -1.51 0.00 0.00 177.10 176.06 2rqa s VAL 590 N 0.65 3.57 0.36 1.60 1.01 -1.26 -3.36 120.40 122.97 2rqa s VAL 590 Ca -0.12 1.29 -0.28 0.00 0.00 0.00 0.00 61.98 62.86 2rqa s VAL 590 Cb -0.15 -3.83 -0.11 0.00 0.00 0.00 0.00 36.38 32.30 2rqa s VAL 590 CO 0.03 0.19 1.52 -0.94 0.00 0.00 0.00 175.10 175.89 2rqa s SER 591 N 0.25 6.33 0.16 3.32 1.04 0.13 -4.87 113.70 120.07 2rqa s SER 591 Ca 0.54 3.04 -0.19 0.00 0.48 0.00 0.00 55.95 59.83 2rqa s SER 591 Cb -0.33 -2.66 0.09 0.00 0.10 0.00 0.00 66.02 63.22 2rqa s SER 591 CO 0.36 -0.89 1.23 -2.11 0.98 0.00 0.00 173.24 172.81 2rqa n ARG 592 N 0.80 -0.26 -1.31 4.02 1.85 -1.26 -4.46 116.66 116.04 2rqa n ARG 592 Ca 0.02 1.22 -0.39 0.00 -1.00 0.00 0.00 57.85 57.70 2rqa n ARG 592 Cb 0.39 -1.80 0.02 0.00 -1.05 0.00 0.00 32.46 30.02 2rqa n ARG 592 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2rqa n ASP 593 N -5.10 -2.90 0.00 2.89 9.92 -1.26 -4.96 116.55 115.14 2rqa n ASP 593 Ca 0.05 0.67 0.00 0.00 -0.53 0.00 0.00 54.79 54.98 2rqa n ASP 593 Cb 0.27 -0.95 0.00 0.00 -0.64 0.00 0.00 41.12 39.80 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 1.03 0.00 -4.06 -0.24 -0.04 -1.26 -4.72 135.00 125.70 2rqa n PRO 594 Ca 0.09 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.20 2rqa n PRO 594 Cb 0.47 -0.12 -0.10 0.00 -0.04 0.00 0.00 33.50 33.71 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 0.00 4.68 -0.45 0.52 1.01 -1.23 -3.77 120.40 121.17 2rqa s VAL 595 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 61.94 2rqa s VAL 595 Cb 0.00 -3.10 0.16 0.00 0.00 0.00 0.00 36.38 33.44 2rqa s VAL 595 CO 0.00 0.47 0.34 -0.69 0.00 0.00 0.00 175.10 175.22 2rqa s VAL 596 N 0.29 0.80 0.11 2.92 1.01 -1.26 -5.07 120.40 119.20 2rqa s VAL 596 Ca 0.03 -2.77 -0.06 0.00 0.00 0.00 0.00 61.98 59.18 2rqa s VAL 596 Cb -0.12 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 2rqa s VAL 596 CO 0.01 -1.14 0.15 -0.63 0.00 0.00 0.00 175.10 173.49 2rqa s ILE 597 N -0.01 0.12 0.10 2.22 1.01 -1.26 -4.85 121.20 118.52 2rqa s ILE 597 Ca 0.28 -1.50 -0.35 0.00 0.00 0.00 0.00 60.65 59.08 2rqa s ILE 597 Cb -0.04 -1.67 -0.15 0.00 0.01 0.00 0.00 42.46 40.61 2rqa s ILE 597 CO -0.15 -0.56 1.56 0.78 0.00 0.00 0.00 174.94 176.58 2rqa h ASN 598 N 2.78 -1.47 -5.51 3.58 4.21 -2.07 -3.46 115.58 113.64 2rqa h ASN 598 Ca -0.33 0.14 -0.25 0.00 1.21 0.00 0.00 56.30 57.06 2rqa h ASN 598 Cb 1.20 0.52 -0.09 0.00 -1.12 0.00 0.00 38.32 38.83 2rqa h ASN 598 CO 0.56 -0.60 -0.22 -1.59 -1.29 0.00 0.00 177.43 174.29 2rqa s LYS 599 N -5.83 1.81 0.20 0.81 0.00 -1.26 -5.17 119.74 110.31 2rqa s LYS 599 Ca -0.17 -1.70 -0.04 0.00 0.00 0.00 0.00 55.97 54.06 2rqa s LYS 599 Cb 0.05 0.43 -0.05 0.00 0.00 0.00 0.00 37.83 38.26 2rqa s LYS 599 CO 0.61 -0.74 0.43 0.08 0.00 0.00 0.00 175.35 175.73 2rqa s VAL 600 N -3.26 5.13 0.33 1.79 1.01 -1.26 -4.95 120.40 119.19 2rqa s VAL 600 Ca 0.30 -0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.29 2rqa s VAL 600 Cb 0.00 -3.68 -0.07 0.00 0.00 0.00 0.00 36.38 32.63 2rqa s VAL 600 CO 0.19 -0.12 0.01 -0.36 0.00 0.00 0.00 175.10 174.82 2rqa s PHE 601 N -1.83 2.09 -0.24 5.22 0.40 -1.25 -5.08 117.98 117.29 2rqa s PHE 601 Ca 0.41 -0.80 -0.16 0.00 -0.60 0.00 0.00 56.93 55.78 2rqa s PHE 601 Cb -0.11 -1.34 -0.12 0.00 0.51 0.00 0.00 43.02 41.96 2rqa s PHE 601 CO 0.27 0.20 -0.22 1.63 0.70 0.00 0.00 175.22 177.81 2rqa n LYS 602 N -0.72 0.57 -0.38 0.44 4.01 -1.26 -4.31 118.16 116.52 2rqa n LYS 602 Ca -0.04 0.34 0.33 0.00 -0.51 0.00 0.00 58.31 58.44 2rqa n LYS 602 Cb 0.66 -1.55 0.60 0.00 -0.51 0.00 0.00 35.03 34.22 2rqa n LYS 602 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 2rqa h ASP 603 N -1.00 0.31 -5.05 4.39 5.19 -1.99 -3.41 116.42 114.87 2rqa h ASP 603 Ca -0.48 0.20 -0.01 0.00 -0.62 0.00 0.00 57.03 56.12 2rqa h ASP 603 Cb 1.39 0.20 -0.10 0.00 0.18 0.00 0.00 39.33 41.00 2rqa h ASP 603 CO -0.29 -0.30 0.10 -1.66 -3.12 0.00 0.00 179.24 173.97 2rqa s TRP 604 N -5.45 -0.27 0.22 4.55 1.48 -1.26 -4.86 118.94 113.36 2rqa s TRP 604 Ca -0.09 -0.05 0.08 0.00 -1.06 0.00 0.00 56.10 54.98 2rqa s TRP 604 Cb 0.32 0.47 -0.04 0.00 -1.16 0.00 0.00 33.47 33.06 2rqa s TRP 604 CO 0.80 -0.91 0.06 -1.59 -4.06 0.00 0.00 176.95 171.24 2rqa s LYS 605 N -3.83 2.54 1.04 3.25 -2.85 0.15 -3.80 119.74 116.24 2rqa s LYS 605 Ca 0.06 -1.16 -0.16 0.00 -1.00 0.00 0.00 55.97 53.70 2rqa s LYS 605 Cb -0.01 -2.37 0.22 0.00 -2.06 0.00 0.00 37.83 33.60 2rqa s LYS 605 CO -0.06 0.42 1.20 -1.25 0.10 0.00 0.00 175.35 175.76 2rqa s PRO 606 N -3.38 0.02 0.00 1.78 0.04 -1.26 -0.96 135.00 131.23 2rqa s PRO 606 Ca 0.30 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.21 2rqa s PRO 606 Cb -0.08 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2rqa s PRO 606 CO 0.21 -2.87 0.00 0.41 0.04 0.00 0.00 177.00 174.78 2rqa n GLY 607 N -2.35 2.92 3.16 0.56 0.00 0.50 -4.18 105.19 105.80 2rqa n GLY 607 Ca 0.13 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.64 2rqa n GLY 607 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2rqa s GLY 608 N 0.00 -0.04 0.09 -0.02 0.00 -1.19 -3.47 107.32 102.68 2rqa s GLY 608 Ca 0.00 0.07 -0.33 0.00 0.00 0.00 0.00 44.72 44.46 2rqa s GLY 608 CO 0.00 -0.10 1.74 -0.62 0.00 0.00 0.00 173.10 174.12 2rqa n VAL 609 N 1.40 0.25 -3.61 1.40 0.31 -1.26 0.51 118.33 117.33 2rqa n VAL 609 Ca -0.22 -0.05 -0.25 0.00 -0.01 0.00 0.00 64.34 63.81 2rqa n VAL 609 Cb 0.56 -1.81 -0.02 0.00 -0.91 0.00 0.00 33.84 31.65 2rqa n VAL 609 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2rqa s ILE 610 N 2.25 5.17 -0.28 2.52 1.01 -0.81 0.20 121.20 131.26 2rqa s ILE 610 Ca 0.83 -0.49 -0.09 0.00 0.00 0.00 0.00 60.65 60.90 2rqa s ILE 610 Cb -0.62 -3.80 0.12 0.00 0.01 0.00 0.00 42.46 38.17 2rqa s ILE 610 CO 0.41 -0.35 0.60 -0.94 0.00 0.00 0.00 174.94 174.66 2rqa s SER 611 N -3.62 -0.97 -0.38 3.58 1.04 -1.21 -2.10 113.70 110.03 2rqa s SER 611 Ca 0.38 1.43 -0.42 0.00 0.48 0.00 0.00 55.95 57.82 2rqa s SER 611 Cb -0.10 2.10 -0.17 0.00 0.10 0.00 0.00 66.02 67.95 2rqa s SER 611 CO 0.32 -0.22 1.79 0.00 0.98 0.00 0.00 173.24 176.10 2rqa h ARG 613 N 7.19 0.00 -0.38 0.00 2.43 -0.88 1.49 114.38 124.23 2rqa h ARG 613 Ca -0.40 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.66 2rqa h ARG 613 Cb 1.35 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 2rqa h ARG 613 CO 0.99 0.27 -0.23 -0.91 -1.51 0.00 0.00 179.97 178.58 2rqa h ASN 614 N 0.00 0.78 0.00 -3.80 2.35 -1.87 -3.42 115.58 109.63 2rqa h ASN 614 Ca -0.00 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 2rqa h ASN 614 Cb 0.77 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.92 2rqa h ASN 614 CO 0.04 0.99 0.00 0.00 -1.65 0.00 0.00 177.43 176.81 2rqa n GLY 616 N 3.32 0.53 3.44 0.00 0.00 0.51 -4.95 105.19 108.05 2rqa n GLY 616 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 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 0.20 -1.70 1.61 4.07 -1.26 -3.96 120.64 119.60 2rqa n GLU 617 Ca 0.00 0.03 -0.55 0.00 -0.06 0.00 0.00 57.16 56.57 2rqa n GLU 617 Cb 0.00 -1.79 -0.07 0.00 -0.06 0.00 0.00 31.44 29.53 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 7.29 0.33 0.07 6.31 0.31 -1.26 -2.98 118.33 128.41 2rqa n VAL 618 Ca 0.58 -0.06 -0.22 0.00 -0.01 0.00 0.00 64.34 64.64 2rqa n VAL 618 Cb 0.08 -1.33 -0.15 0.00 -0.91 0.00 0.00 33.84 31.54 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 7.40 0.67 0.00 3.52 6.55 -1.71 -3.48 115.95 128.90 2rqa h TRP 619 Ca -0.47 -0.49 0.00 0.00 0.95 0.00 0.00 58.89 58.88 2rqa h TRP 619 Cb 1.31 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 29.58 2rqa h TRP 619 CO 0.78 1.42 0.00 0.41 -1.05 0.00 0.00 178.44 180.00 2rqa n GLY 620 N 1.70 -1.25 3.44 1.49 0.00 -1.23 -3.64 105.19 105.70 2rqa n GLY 620 Ca -0.16 0.47 -0.12 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.56 0.13 0.99 -0.00 -1.22 -1.92 118.68 116.11 2rqa s LEU 621 Ca 0.00 0.06 -0.09 0.00 -0.00 0.00 0.00 54.13 54.10 2rqa s LEU 621 Cb 0.00 2.53 -0.06 0.00 -0.00 0.00 0.00 46.19 48.66 2rqa s LEU 621 CO 0.00 -0.90 0.45 -1.58 -0.00 0.00 0.00 176.35 174.32 2rqa s GLN 622 N -3.45 3.77 -0.01 1.48 0.74 0.18 -1.69 119.66 120.68 2rqa s GLN 622 Ca 0.00 0.19 0.03 0.00 0.05 0.00 0.00 55.36 55.63 2rqa s GLN 622 Cb -0.01 -2.88 -0.01 0.00 1.10 0.00 0.00 33.01 31.21 2rqa s GLN 622 CO -0.11 0.48 -0.09 -1.64 -0.55 0.00 0.00 175.29 173.38 2rqa s MET 623 N -2.27 0.76 0.04 1.67 -1.94 0.59 0.19 119.30 118.34 2rqa s MET 623 Ca 0.38 -0.33 0.03 0.00 -1.71 0.00 0.00 55.69 54.07 2rqa s MET 623 Cb -0.13 -0.73 -0.04 0.00 2.01 0.00 0.00 34.83 35.94 2rqa s MET 623 CO 0.20 0.19 0.00 0.42 -0.01 0.00 0.00 175.02 175.83 2rqa s ILE 624 N -0.19 4.12 -0.18 2.53 1.09 -0.14 0.26 121.20 128.70 2rqa s ILE 624 Ca 0.03 -0.76 -0.06 0.00 -1.10 0.00 0.00 60.65 58.75 2rqa s ILE 624 Cb -0.04 -2.89 0.08 0.00 -1.06 0.00 0.00 42.46 38.55 2rqa s ILE 624 CO -0.00 0.26 0.37 -0.47 -0.10 0.00 0.00 174.94 175.00 2rqa s TYR 625 N -1.19 -0.68 -1.59 3.97 5.04 -0.94 -0.68 117.35 121.28 2rqa s TYR 625 Ca 0.23 1.36 0.00 0.00 -2.44 0.00 0.00 57.07 56.21 2rqa s TYR 625 Cb -0.12 0.21 0.00 0.00 0.35 0.00 0.00 41.96 42.40 2rqa s TYR 625 CO 0.14 -0.44 0.00 1.17 -1.34 0.00 0.00 175.55 175.08 2rqa n LYS 626 N 5.33 -1.56 -1.65 4.97 3.00 -1.26 -0.54 118.16 126.45 2rqa n LYS 626 Ca -0.09 0.99 0.00 0.00 -0.00 0.00 0.00 58.31 59.22 2rqa n LYS 626 Cb 0.50 -5.35 0.00 0.00 0.00 0.00 0.00 35.03 30.18 2rqa n LYS 626 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2rqa n SER 627 N -1.10 -1.26 -3.90 3.14 3.41 -1.26 -5.06 113.62 107.58 2rqa n SER 627 Ca -0.15 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.16 2rqa n SER 627 Cb 0.60 -0.34 -0.16 0.00 -0.26 0.00 0.00 64.21 64.05 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 -2.58 1.35 -0.56 -3.33 1.01 0.30 -5.07 120.40 111.51 2rqa s VAL 628 Ca 0.00 -1.15 -0.26 0.00 0.00 0.00 0.00 61.98 60.57 2rqa s VAL 628 Cb 0.00 -1.68 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 2rqa s VAL 628 CO 0.00 -0.16 2.19 -0.54 0.00 0.00 0.00 175.10 176.59 2rqa s LYS 629 N 1.47 2.28 -0.26 2.72 -0.14 -1.26 -2.21 119.74 122.34 2rqa s LYS 629 Ca -0.04 1.01 0.01 0.00 -1.36 0.00 0.00 55.97 55.59 2rqa s LYS 629 Cb -0.18 -4.54 0.05 0.00 -1.68 0.00 0.00 37.83 31.48 2rqa s LYS 629 CO -0.07 -3.14 -0.09 -0.51 -0.76 0.00 0.00 175.35 170.77 2rqa s LEU 630 N 11.12 3.38 0.82 3.17 1.43 0.14 -4.81 118.68 133.93 2rqa s LEU 630 Ca 0.85 -1.24 -0.12 0.00 -1.03 0.00 0.00 54.13 52.59 2rqa s LEU 630 Cb -0.15 -1.59 0.09 0.00 0.03 0.00 0.00 46.19 44.57 2rqa s LEU 630 CO 0.22 -0.18 1.11 -2.16 0.23 0.00 0.00 176.35 175.57 2rqa s PRO 631 N 1.17 1.87 -0.29 1.29 0.04 -1.26 -0.30 135.00 137.53 2rqa s PRO 631 Ca -0.06 0.56 -0.01 0.00 0.04 0.00 0.00 61.00 61.53 2rqa s PRO 631 Cb -0.19 -1.90 0.09 0.00 0.04 0.00 0.00 34.50 32.54 2rqa s PRO 631 CO -0.05 -1.75 0.07 0.08 0.04 0.00 0.00 177.00 175.39 2rqa s VAL 632 N -3.18 0.93 0.44 -0.36 1.01 -0.68 -4.00 120.40 114.55 2rqa s VAL 632 Ca 0.61 -1.29 0.08 0.00 0.00 0.00 0.00 61.98 61.38 2rqa s VAL 632 Cb -0.14 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.62 2rqa s VAL 632 CO 0.54 -0.56 0.52 -0.76 0.00 0.00 0.00 175.10 174.84 2rqa s LEU 633 N 1.61 3.47 0.00 3.92 2.01 -1.26 -3.39 118.68 125.03 2rqa s LEU 633 Ca 0.07 -0.61 0.02 0.00 0.01 0.00 0.00 54.13 53.62 2rqa s LEU 633 Cb -0.17 -2.28 0.03 0.00 0.01 0.00 0.00 46.19 43.77 2rqa s LEU 633 CO -0.20 -0.79 0.22 0.29 1.01 0.00 0.00 176.35 176.87 2rqa n LYS 634 N -1.78 0.85 -0.01 1.70 5.02 -1.24 -4.82 118.16 117.89 2rqa n LYS 634 Ca 0.07 -0.81 0.06 0.00 -2.02 0.00 0.00 58.31 55.61 2rqa n LYS 634 Cb 0.60 -0.07 -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 -1.37 0.00 0.03 -0.18 3.14 -1.26 -4.04 118.33 114.65 2rqa n VAL 635 Ca 0.04 -0.26 -0.06 0.00 -2.96 0.00 0.00 64.34 61.10 2rqa n VAL 635 Cb 0.16 0.25 -0.11 0.00 -1.06 0.00 0.00 33.84 33.07 2rqa n VAL 635 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 2rqa h ARG 636 N 0.00 0.00 -0.00 1.45 3.08 -1.74 -3.25 114.38 113.92 2rqa h ARG 636 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2rqa h ARG 636 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2rqa h ARG 636 CO 0.00 0.72 -0.38 0.45 -1.07 0.00 0.00 179.97 179.69 2rqa n SER 637 N -3.19 0.45 -4.45 7.04 2.88 -1.26 -4.74 113.62 110.35 2rqa n SER 637 Ca -0.07 -0.18 -0.34 0.00 -1.33 0.00 0.00 58.87 56.95 2rqa n SER 637 Cb 0.96 0.10 -0.13 0.00 -0.75 0.00 0.00 64.21 64.39 2rqa n SER 637 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2rqa s MET 638 N -2.94 3.59 0.13 -1.46 -1.94 -1.23 -2.77 119.30 112.69 2rqa s MET 638 Ca 0.13 -0.55 -0.04 0.00 -1.71 0.00 0.00 55.69 53.52 2rqa s MET 638 Cb 0.18 -2.91 -0.05 0.00 2.01 0.00 0.00 34.83 34.05 2rqa s MET 638 CO 0.65 0.15 0.35 -1.17 -0.01 0.00 0.00 175.02 174.99 2rqa s LEU 639 N 0.59 4.28 -0.37 -0.03 2.96 0.11 -4.68 118.68 121.54 2rqa s LEU 639 Ca -0.03 0.54 0.01 0.00 -0.22 0.00 0.00 54.13 54.43 2rqa s LEU 639 Cb -0.14 -3.27 0.10 0.00 0.50 0.00 0.00 46.19 43.38 2rqa s LEU 639 CO 0.03 0.06 0.11 -0.76 -1.32 0.00 0.00 176.35 174.47 2rqa s LEU 640 N -2.65 4.94 0.05 -0.68 1.43 -0.44 -2.10 118.68 119.23 2rqa s LEU 640 Ca 0.40 -2.09 -0.31 0.00 -1.03 0.00 0.00 54.13 51.11 2rqa s LEU 640 Cb -0.12 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 2rqa s LEU 640 CO 0.25 -0.44 1.21 -1.61 0.23 0.00 0.00 176.35 175.99 2rqa s GLU 641 N 1.00 4.42 0.07 1.70 2.02 -1.19 -0.78 118.70 125.94 2rqa s GLU 641 Ca 0.10 1.77 0.00 0.00 0.02 0.00 0.00 54.97 56.86 2rqa s GLU 641 Cb -0.21 -3.36 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 2rqa s GLU 641 CO -0.06 -0.28 -0.05 0.95 0.02 0.00 0.00 175.26 175.84 2rqa s THR 642 N 1.17 0.44 -0.31 3.63 -4.23 -1.26 -3.37 115.64 111.71 2rqa s THR 642 Ca 0.59 -1.77 0.27 0.00 -1.18 0.00 0.00 61.69 59.60 2rqa s THR 642 Cb -0.29 -1.47 0.33 0.00 1.34 0.00 0.00 72.50 72.41 2rqa s THR 642 CO 0.29 -0.88 1.78 1.55 -0.54 0.00 0.00 174.62 176.82 2rqa h PRO 643 N 3.23 0.00 -0.01 3.99 0.13 -1.96 -2.60 132.00 134.79 2rqa h PRO 643 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2rqa h PRO 643 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2rqa h PRO 643 CO 0.63 0.00 -0.33 1.04 -0.23 0.00 0.00 178.00 179.11 2rqa n GLN 644 N -2.81 0.74 0.00 0.86 6.02 -1.26 -4.99 117.38 115.95 2rqa n GLN 644 Ca 0.03 -0.46 0.00 0.00 -0.01 0.00 0.00 57.00 56.55 2rqa n GLN 644 Cb 0.39 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.16 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 1.37 3.84 3.26 1.08 0.00 -0.98 -5.09 105.19 108.68 2rqa n GLY 645 Ca 0.11 -1.07 -0.38 0.00 0.00 0.00 0.00 46.02 44.67 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 0.00 0.09 -4.11 1.61 1.74 -1.25 -4.36 116.66 110.38 2rqa n ARG 646 Ca 0.00 0.04 -0.16 0.00 -0.77 0.00 0.00 57.85 56.96 2rqa n ARG 646 Cb 0.00 -1.16 -0.15 0.00 -1.02 0.00 0.00 32.46 30.13 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 -1.96 0.37 -0.16 0.55 1.01 0.04 -4.89 121.20 116.17 2rqa s ILE 647 Ca 0.57 -0.16 -0.03 0.00 0.00 0.00 0.00 60.65 61.04 2rqa s ILE 647 Cb -0.44 -0.34 0.05 0.00 0.01 0.00 0.00 42.46 41.74 2rqa s ILE 647 CO 0.66 0.13 0.03 -1.58 0.00 0.00 0.00 174.94 174.18 2rqa s GLN 648 N 0.16 0.56 0.53 2.79 -0.44 -1.26 -1.33 119.66 120.67 2rqa s GLN 648 Ca -0.01 -0.24 0.07 0.00 -2.50 0.00 0.00 55.36 52.68 2rqa s GLN 648 Cb -0.05 -1.78 0.04 0.00 -1.64 0.00 0.00 33.01 29.59 2rqa s GLN 648 CO -0.00 -0.56 0.52 0.00 0.50 0.00 0.00 175.29 175.75 2rqa s ALA 649 N 1.93 4.46 -0.08 1.58 0.00 -1.26 -5.04 121.76 123.35 2rqa s ALA 649 Ca 0.01 -1.62 0.10 0.00 0.00 0.00 0.00 51.96 50.45 2rqa s ALA 649 Cb -0.16 -1.00 -0.15 0.00 0.00 0.00 0.00 23.12 21.82 2rqa s ALA 649 CO -0.07 -0.54 0.25 1.63 0.00 0.00 0.00 175.76 177.03 2rqa n LYS 650 N -1.88 0.81 -4.06 0.00 5.02 -1.26 -3.46 118.16 113.33 2rqa n LYS 650 Ca 0.04 -0.08 -0.14 0.00 -2.02 0.00 0.00 58.31 56.12 2rqa n LYS 650 Cb 0.63 -1.20 -0.13 0.00 -0.02 0.00 0.00 35.03 34.31 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 -2.58 0.34 0.53 1.97 3.01 -1.26 -4.28 119.74 117.47 2rqa s LYS 651 Ca -0.03 -0.29 0.35 0.00 -1.01 0.00 0.00 55.97 55.00 2rqa s LYS 651 Cb 0.07 -0.26 1.92 0.00 -1.01 0.00 0.00 37.83 38.55 2rqa s LYS 651 CO 0.41 0.06 2.08 -1.49 0.51 0.00 0.00 175.35 176.92 2rqa h TRP 652 N 5.64 0.00 0.00 3.18 4.06 -1.94 0.20 115.95 127.10 2rqa h TRP 652 Ca -0.29 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.66 2rqa h TRP 652 Cb 1.20 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.36 2rqa h TRP 652 CO 0.47 0.00 0.00 0.43 -3.56 0.00 0.00 178.44 175.78 2rqa n SER 653 N -2.75 0.39 -0.04 -3.49 7.64 -1.26 -1.18 113.62 112.93 2rqa n SER 653 Ca -0.02 0.66 0.00 0.00 1.01 0.00 0.00 58.87 60.52 2rqa n SER 653 Cb 0.07 -0.72 -0.10 0.00 -1.01 0.00 0.00 64.21 62.45 2rqa n SER 653 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2rqa n ARG 654 N -2.00 1.16 -1.62 1.43 5.12 0.70 -5.00 116.66 116.46 2rqa n ARG 654 Ca -0.00 -0.07 -0.61 0.00 -1.93 0.00 0.00 57.85 55.24 2rqa n ARG 654 Cb 0.07 -1.33 -0.08 0.00 -1.16 0.00 0.00 32.46 29.96 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 -2.23 0.03 -0.04 1.55 0.31 -0.33 -4.86 118.33 112.77 2rqa n VAL 655 Ca -0.12 -0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.08 2rqa n VAL 655 Cb 0.64 -0.37 -0.11 0.00 -0.91 0.00 0.00 33.84 33.09 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 4.24 -0.01 -7.09 5.55 0.13 -1.93 -3.45 132.00 129.45 2rqa h PRO 656 Ca -0.48 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.11 2rqa h PRO 656 Cb 1.39 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.65 2rqa h PRO 656 CO 0.81 0.71 0.51 -0.59 -0.23 0.00 0.00 178.00 179.21 2rqa s PHE 657 N -3.20 2.30 0.27 1.56 -0.12 -1.26 -4.82 117.98 112.71 2rqa s PHE 657 Ca -0.17 1.48 -0.20 0.00 -0.05 0.00 0.00 56.93 57.98 2rqa s PHE 657 Cb -0.01 -3.61 -0.09 0.00 -0.63 0.00 0.00 43.02 38.69 2rqa s PHE 657 CO 0.66 -2.54 0.79 -1.12 -0.05 0.00 0.00 175.22 172.96 2rqa s SER 658 N -1.39 7.07 -0.32 1.98 0.01 -1.26 -5.00 113.70 114.79 2rqa s SER 658 Ca 0.77 1.51 0.03 0.00 1.31 0.00 0.00 55.95 59.57 2rqa s SER 658 Cb -0.35 -2.46 0.09 0.00 0.21 0.00 0.00 66.02 63.52 2rqa s SER 658 CO 0.38 -0.05 0.03 -0.69 0.41 0.00 0.00 173.24 173.33 2rqa s VAL 659 N -1.65 2.06 0.48 3.43 1.01 -1.26 -4.84 120.40 119.63 2rqa s VAL 659 Ca 0.47 -2.10 -0.20 0.00 0.00 0.00 0.00 61.98 60.15 2rqa s VAL 659 Cb -0.16 -2.47 -0.09 0.00 0.00 0.00 0.00 36.38 33.66 2rqa s VAL 659 CO 0.21 -0.52 1.04 -2.16 0.00 0.00 0.00 175.10 173.66 2rqa s PRO 660 N 1.04 3.82 0.51 2.72 0.04 -1.26 -4.42 135.00 137.44 2rqa s PRO 660 Ca 0.08 1.37 -0.23 0.00 0.04 0.00 0.00 61.00 62.25 2rqa s PRO 660 Cb -0.19 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.18 2rqa s PRO 660 CO -0.10 -0.42 1.37 0.16 0.04 0.00 0.00 177.00 178.05 2rqa s ASP 661 N -1.97 5.52 -0.26 6.66 -4.77 -1.26 0.17 116.67 120.76 2rqa s ASP 661 Ca 0.67 2.78 -0.29 0.00 -3.30 0.00 0.00 52.55 52.41 2rqa s ASP 661 Cb -0.16 -2.64 -0.06 0.00 -1.09 0.00 0.00 42.92 38.96 2rqa s ASP 661 CO 0.20 -1.40 2.24 0.33 0.70 0.00 0.00 175.17 177.23 2rqa n PHE 662 N -0.73 1.86 -2.02 2.11 -0.00 0.13 -4.41 117.46 114.39 2rqa n PHE 662 Ca 0.08 -0.04 -0.39 0.00 -0.00 0.00 0.00 57.45 57.11 2rqa n PHE 662 Cb 0.44 -2.69 -0.03 0.00 -0.00 0.00 0.00 39.48 37.20 2rqa n PHE 662 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2rqa s ASP 663 N 8.41 5.26 0.47 -2.13 -1.08 -1.26 -4.80 116.67 121.54 2rqa s ASP 663 Ca 1.03 0.41 0.22 0.00 -0.52 0.00 0.00 52.55 53.69 2rqa s ASP 663 Cb -0.42 -2.53 1.15 0.00 -1.46 0.00 0.00 42.92 39.65 2rqa s ASP 663 CO 0.37 -2.37 1.96 0.15 0.52 0.00 0.00 175.17 175.80 2rqa h PHE 664 N 15.05 0.00 0.26 -5.34 3.57 -1.97 0.13 116.94 128.63 2rqa h PHE 664 Ca -0.26 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.23 2rqa h PHE 664 Cb 1.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.91 2rqa h PHE 664 CO 1.04 0.21 -0.13 -0.07 -2.23 0.00 0.00 178.31 177.13 2rqa h LEU 665 N 0.00 -0.30 0.19 0.59 3.38 -1.98 -1.38 115.31 115.81 2rqa h LEU 665 Ca -0.00 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2rqa h LEU 665 Cb 0.49 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2rqa h LEU 665 CO 0.03 0.18 -0.09 -0.61 0.09 0.00 0.00 178.44 178.04 2rqa h GLN 666 N -0.93 -0.24 -0.92 1.13 5.75 -1.94 0.38 115.11 118.33 2rqa h GLN 666 Ca -0.04 0.02 0.17 0.00 -0.15 0.00 0.00 58.65 58.65 2rqa h GLN 666 Cb 0.50 0.06 -0.08 0.00 1.07 0.00 0.00 27.48 29.02 2rqa h GLN 666 CO 0.06 -0.11 0.59 0.45 -2.65 0.00 0.00 178.83 177.17 2rqa h HIS 667 N -0.32 0.80 -0.01 3.99 3.86 -0.86 0.77 115.15 123.38 2rqa h HIS 667 Ca -0.03 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.04 2rqa h HIS 667 Cb 0.25 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 2rqa h HIS 667 CO -0.05 0.25 -0.75 0.00 0.86 0.00 0.00 177.93 178.24 2rqa n ALA 669 N -2.43 1.90 0.21 0.00 0.00 0.24 -0.48 120.51 119.95 2rqa n ALA 669 Ca -0.02 -0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.41 2rqa n ALA 669 Cb 0.72 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.75 5.19 -0.01 0.00 1.02 0.52 -4.50 120.64 121.11 2rqa n GLU 670 Ca 0.04 -0.04 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 2rqa n GLU 670 Cb 0.26 -0.73 -0.14 0.00 -0.02 0.00 0.00 31.44 30.80 2rqa n GLU 670 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2rqa n ASN 671 N -1.03 0.57 -3.73 1.62 5.03 0.15 -4.97 115.26 112.91 2rqa n ASN 671 Ca 0.01 -0.31 -0.14 0.00 0.87 0.00 0.00 54.58 55.01 2rqa n ASN 671 Cb 0.07 1.63 0.07 0.00 -1.02 0.00 0.00 39.78 40.53 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 -1.96 0.00 -1.25 3.41 4.77 0.37 -5.01 117.00 117.33 2rqa n LEU 672 Ca -0.01 -1.45 0.11 0.00 -0.03 0.00 0.00 56.01 54.63 2rqa n LEU 672 Cb 0.45 -0.37 0.30 0.00 -2.33 0.00 0.00 43.42 41.47 2rqa n LEU 672 CO 0.41 -0.76 0.75 -1.20 -1.33 0.00 0.00 177.39 175.27 2rqa n SER 673 N -2.82 3.80 -0.20 -1.43 7.64 -1.26 -4.44 113.62 114.92 2rqa n SER 673 Ca 0.11 -2.00 0.30 0.00 1.01 0.00 0.00 58.87 58.29 2rqa n SER 673 Cb 0.38 -0.45 0.71 0.00 -1.01 0.00 0.00 64.21 63.84 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 3.99 0.00 0.05 6.43 -0.00 -1.90 -1.49 116.42 123.50 2rqa h ASP 674 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 57.03 2rqa h ASP 674 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.29 2rqa h ASP 674 CO 0.00 0.00 -0.02 -0.07 -0.00 0.00 0.00 179.24 179.15 2rqa h LEU 675 N 0.00 -0.06 -7.39 2.28 -0.00 -1.81 -3.48 115.31 104.86 2rqa h LEU 675 Ca 0.46 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 58.21 2rqa h LEU 675 Cb 2.05 0.02 -0.24 0.00 -0.00 0.00 0.00 40.66 42.49 2rqa h LEU 675 CO -0.00 0.01 -0.28 -0.94 -0.00 0.00 0.00 178.44 177.22 2rqa s SER 676 N -3.06 -0.34 -0.15 -0.43 1.04 -0.56 -5.06 113.70 105.14 2rqa s SER 676 Ca -0.01 0.60 -0.27 0.00 0.48 0.00 0.00 55.95 56.76 2rqa s SER 676 Cb 0.00 0.65 -0.24 0.00 0.10 0.00 0.00 66.02 66.54 2rqa s SER 676 CO 0.03 -0.19 0.65 -0.07 0.98 0.00 0.00 173.24 174.64 2rqa h LEU 677 N 5.21 0.00 0.00 2.42 3.38 -1.94 -3.43 115.31 120.95 2rqa h LEU 677 Ca -0.27 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 56.82 2rqa h LEU 677 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2rqa h LEU 677 CO 0.30 1.05 0.00 -0.67 0.09 0.00 0.00 178.44 179.21