#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 0.10 -3.00 1.61 -0.04 -1.26 -4.67 135.00 127.74 2rqa n PRO 543 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 2rqa n PRO 543 Cb 0.00 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 33.52 2rqa n PRO 543 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2rqa n HIS 544 N -1.45 -1.87 -1.33 0.54 8.25 -1.26 -4.68 115.22 113.41 2rqa n HIS 544 Ca 0.00 0.71 -0.30 0.00 -0.26 0.00 0.00 57.72 57.88 2rqa n HIS 544 Cb 0.00 -4.08 -0.16 0.00 1.12 0.00 0.00 29.99 26.87 2rqa n HIS 544 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2rqa n MET 545 N -3.14 0.00 -4.84 -0.41 2.81 -1.26 -4.85 117.12 105.44 2rqa n MET 545 Ca -0.13 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.43 2rqa n MET 545 Cb 0.61 -1.15 -0.15 0.00 -0.71 0.00 0.00 33.22 31.82 2rqa n MET 545 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 2rqa s GLN 546 N 7.28 3.33 -0.27 0.03 -2.07 -1.26 -5.07 119.66 121.63 2rqa s GLN 546 Ca 1.20 -0.71 0.00 0.00 -1.82 0.00 0.00 55.36 54.03 2rqa s GLN 546 Cb -0.97 -2.58 0.15 0.00 -1.09 0.00 0.00 33.01 28.52 2rqa s GLN 546 CO 0.47 0.22 0.42 -0.06 -1.32 0.00 0.00 175.29 175.01 2rqa s PHE 547 N 0.33 -1.02 0.39 9.60 0.40 -1.26 -5.02 117.98 121.39 2rqa s PHE 547 Ca -0.12 0.67 -0.25 0.00 -0.60 0.00 0.00 56.93 56.64 2rqa s PHE 547 Cb -0.16 -0.01 -0.09 0.00 0.51 0.00 0.00 43.02 43.27 2rqa s PHE 547 CO 0.06 -0.88 1.06 -1.25 0.70 0.00 0.00 175.22 174.91 2rqa s PRO 548 N 2.58 4.21 0.23 0.24 0.04 -1.26 -3.71 135.00 137.33 2rqa s PRO 548 Ca 0.12 1.55 -0.06 0.00 0.04 0.00 0.00 61.00 62.65 2rqa s PRO 548 Cb -0.14 -2.62 0.36 0.00 0.04 0.00 0.00 34.50 32.14 2rqa s PRO 548 CO -0.24 -0.11 1.77 -0.39 0.04 0.00 0.00 177.00 178.08 2rqa h VAL 549 N 2.29 0.82 -0.07 -0.36 -1.51 -1.86 0.62 116.25 116.18 2rqa h VAL 549 Ca -0.48 -0.20 0.02 0.00 -1.23 0.00 0.00 66.70 64.81 2rqa h VAL 549 Cb 1.22 0.19 -0.00 0.00 -2.13 0.00 0.00 31.29 30.56 2rqa h VAL 549 CO 0.63 0.11 0.20 1.05 -1.23 0.00 0.00 177.57 178.32 2rqa h GLU 550 N 0.58 0.00 0.00 5.19 4.11 -1.92 0.38 114.58 122.92 2rqa h GLU 550 Ca 0.36 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.67 2rqa h GLU 550 Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2rqa h GLU 550 CO -0.29 0.00 -1.90 0.72 0.07 0.00 0.00 179.01 177.61 2rqa n HIS 551 N -3.25 0.26 -3.27 2.06 8.25 0.18 -4.85 115.22 114.60 2rqa n HIS 551 Ca -0.01 0.08 -0.39 0.00 -0.26 0.00 0.00 57.72 57.14 2rqa n HIS 551 Cb 0.28 -0.77 -0.07 0.00 1.12 0.00 0.00 29.99 30.54 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 -3.15 5.10 0.01 1.59 1.01 0.13 -4.15 120.40 120.94 2rqa s VAL 552 Ca -0.07 0.85 0.03 0.00 0.00 0.00 0.00 61.98 62.79 2rqa s VAL 552 Cb 0.11 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2rqa s VAL 552 CO 0.86 0.13 -0.04 -1.58 0.00 0.00 0.00 175.10 174.48 2rqa s GLN 553 N 2.00 2.64 -0.39 2.72 0.74 -1.18 -0.44 119.66 125.74 2rqa s GLN 553 Ca 0.21 -0.69 -0.25 0.00 0.05 0.00 0.00 55.36 54.68 2rqa s GLN 553 Cb -0.15 -2.57 0.02 0.00 1.10 0.00 0.00 33.01 31.40 2rqa s GLN 553 CO 0.09 0.61 0.91 -0.51 -0.55 0.00 0.00 175.29 175.84 2rqa s LEU 554 N -1.54 4.01 0.00 3.68 1.43 -0.81 -3.23 118.68 122.22 2rqa s LEU 554 Ca 0.19 0.43 0.05 0.00 -1.03 0.00 0.00 54.13 53.77 2rqa s LEU 554 Cb -0.11 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.87 2rqa s LEU 554 CO 0.09 -0.90 0.19 0.18 0.23 0.00 0.00 176.35 176.15 2rqa n LEU 555 N 6.85 0.00 -4.24 1.79 4.32 -0.86 0.76 117.00 125.62 2rqa n LEU 555 Ca 0.06 -3.27 -0.40 0.00 -0.02 0.00 0.00 56.01 52.39 2rqa n LEU 555 Cb 0.48 1.27 -0.10 0.00 -1.62 0.00 0.00 43.42 43.46 2rqa n LEU 555 CO 0.59 -0.52 -0.10 0.00 -1.22 0.00 0.00 177.39 176.15 2rqa n ILE 557 N 4.87 -0.13 0.01 0.00 -5.35 -1.10 0.28 119.36 117.95 2rqa n ILE 557 Ca -0.09 1.33 -0.02 0.00 -0.27 0.00 0.00 62.75 63.70 2rqa n ILE 557 Cb 0.42 -2.19 -0.01 0.00 -1.74 0.00 0.00 39.64 36.12 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 -0.11 0.02 7.28 4.21 -1.92 -3.41 115.58 121.65 2rqa h ASN 558 Ca 0.71 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 58.22 2rqa h ASN 558 Cb 2.50 0.03 0.00 0.00 -1.12 0.00 0.00 38.32 39.73 2rqa h ASN 558 CO -0.24 0.30 -0.01 0.00 -1.29 0.00 0.00 177.43 176.19 2rqa n MET 560 N -2.19 -1.04 0.00 0.00 2.81 0.81 -4.87 117.12 112.65 2rqa n MET 560 Ca -0.00 0.13 0.02 0.00 -1.81 0.00 0.00 57.70 56.04 2rqa n MET 560 Cb 0.01 -3.02 0.01 0.00 -0.71 0.00 0.00 33.22 29.51 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 -1.59 0.00 -1.07 2.03 0.24 -1.26 -4.85 118.33 111.83 2rqa n VAL 561 Ca -0.04 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 2rqa n VAL 561 Cb 0.52 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.97 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 -0.01 -2.51 0.93 2.33 0.00 -1.26 -4.97 120.51 115.02 2rqa n ALA 562 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.56 2rqa n ALA 562 Cb 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.51 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 0.30 0.00 -2.58 0.00 0.24 0.23 -4.93 118.33 111.60 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 1.40 0.90 3.14 7.63 0.00 -0.01 -4.75 105.19 113.51 2rqa n GLY 564 Ca 0.07 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.66 1.31 -1.72 1.61 0.09 -1.26 -1.93 115.29 111.73 2rqa s HIS 565 Ca 0.00 -0.31 0.20 0.00 -0.00 0.00 0.00 55.06 54.94 2rqa s HIS 565 Cb 0.00 -0.80 1.09 0.00 -0.00 0.00 0.00 32.58 32.87 2rqa s HIS 565 CO 0.00 0.02 1.59 0.41 -0.00 0.00 0.00 174.74 176.76 2rqa n GLY 566 N 2.19 -0.77 0.39 -2.22 0.00 0.42 -1.67 105.19 103.53 2rqa n GLY 566 Ca -0.17 -0.11 0.03 0.00 0.00 0.00 0.00 46.02 45.78 2rqa n GLY 566 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rqa n SER 567 N -1.14 2.52 -0.00 1.61 3.41 -1.25 -4.40 113.62 114.38 2rqa n SER 567 Ca 0.12 -1.96 0.03 0.00 -0.26 0.00 0.00 58.87 56.80 2rqa n SER 567 Cb 0.11 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 63.89 2rqa n SER 567 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2rqa n ASP 568 N 0.14 0.55 -4.94 4.04 9.92 -0.67 -5.00 116.55 120.59 2rqa n ASP 568 Ca 0.07 -0.60 -0.24 0.00 -0.53 0.00 0.00 54.79 53.49 2rqa n ASP 568 Cb 0.35 1.02 0.01 0.00 -0.64 0.00 0.00 41.12 41.86 2rqa n ASP 568 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 2rqa s LEU 569 N -2.39 3.63 0.35 0.64 0.05 -1.18 -3.65 118.68 116.14 2rqa s LEU 569 Ca 0.02 0.44 -0.01 0.00 0.05 0.00 0.00 54.13 54.63 2rqa s LEU 569 Cb 0.05 -3.31 0.00 0.00 -2.05 0.00 0.00 46.19 40.87 2rqa s LEU 569 CO 0.26 -0.69 0.46 -0.13 -0.55 0.00 0.00 176.35 175.71 2rqa s ARG 570 N -4.61 1.93 0.25 1.48 3.00 -0.63 -4.48 118.95 115.89 2rqa s ARG 570 Ca 0.48 -1.81 0.10 0.00 0.00 0.00 0.00 55.73 54.50 2rqa s ARG 570 Cb -0.10 0.44 -0.05 0.00 0.00 0.00 0.00 34.95 35.24 2rqa s ARG 570 CO 0.39 -0.80 -0.10 -1.59 0.00 0.00 0.00 175.30 173.21 2rqa s LYS 571 N -3.01 2.01 -0.23 3.54 -2.85 0.15 -1.22 119.74 118.12 2rqa s LYS 571 Ca 0.32 -1.51 0.01 0.00 -1.00 0.00 0.00 55.97 53.79 2rqa s LYS 571 Cb -0.00 -2.02 0.05 0.00 -2.06 0.00 0.00 37.83 33.80 2rqa s LYS 571 CO 0.22 0.37 -0.10 0.08 0.10 0.00 0.00 175.35 176.02 2rqa s VAL 572 N -2.22 1.79 -1.13 1.79 1.01 -1.19 0.56 120.40 121.00 2rqa s VAL 572 Ca 0.29 -1.25 -0.13 0.00 0.00 0.00 0.00 61.98 60.89 2rqa s VAL 572 Cb -0.06 -1.91 0.13 0.00 0.00 0.00 0.00 36.38 34.53 2rqa s VAL 572 CO 0.17 0.06 0.37 -1.84 0.00 0.00 0.00 175.10 173.86 2rqa n GLU 573 N 4.60 -1.93 -4.25 2.72 0.28 -1.26 0.15 120.64 120.94 2rqa n GLU 573 Ca -0.14 0.14 -0.30 0.00 -0.16 0.00 0.00 57.16 56.70 2rqa n GLU 573 Cb 0.45 -4.71 -0.08 0.00 1.43 0.00 0.00 31.44 28.52 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 -0.88 -0.16 0.09 -1.84 0.00 -1.26 -4.80 105.19 96.34 2rqa n GLY 574 Ca 0.06 0.17 -0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.52 0.01 -3.65 2.61 -1.04 0.12 -5.06 114.28 102.74 2rqa n THR 575 Ca -0.30 -0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.64 2rqa n THR 575 Cb 0.68 -0.59 -0.07 0.00 -1.82 0.00 0.00 70.33 68.53 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 -2.00 -1.04 0.30 -1.42 3.76 -1.23 -5.04 115.29 108.62 2rqa s HIS 576 Ca -0.00 2.03 -0.29 0.00 -0.15 0.00 0.00 55.06 56.65 2rqa s HIS 576 Cb 0.00 0.60 -0.10 0.00 1.11 0.00 0.00 32.58 34.19 2rqa s HIS 576 CO 0.00 -0.52 1.15 -1.01 -0.85 0.00 0.00 174.74 173.52 2rqa s HIS 577 N 1.82 3.41 -0.06 1.40 3.76 -1.26 -3.17 115.29 121.18 2rqa s HIS 577 Ca -0.09 1.62 -0.03 0.00 -0.15 0.00 0.00 55.06 56.41 2rqa s HIS 577 Cb -0.07 -3.39 0.04 0.00 1.11 0.00 0.00 32.58 30.28 2rqa s HIS 577 CO -0.19 -0.92 0.12 0.14 -0.85 0.00 0.00 174.74 173.04 2rqa s VAL 578 N -1.18 -0.16 -0.48 -0.90 -7.23 -0.36 -3.27 120.40 106.82 2rqa s VAL 578 Ca 0.47 0.32 -0.22 0.00 -1.81 0.00 0.00 61.98 60.74 2rqa s VAL 578 Cb -0.34 -0.23 0.03 0.00 0.56 0.00 0.00 36.38 36.41 2rqa s VAL 578 CO 0.44 0.14 0.77 0.21 -0.31 0.00 0.00 175.10 176.35 2rqa s ASN 579 N 1.91 6.35 0.16 4.85 3.04 -0.98 -1.61 114.94 128.66 2rqa s ASN 579 Ca -0.00 -0.31 -0.30 0.00 0.04 0.00 0.00 52.86 52.28 2rqa s ASN 579 Cb -0.12 -2.37 -0.07 0.00 -1.54 0.00 0.00 41.25 37.15 2rqa s ASN 579 CO -0.05 -0.96 1.03 -0.69 -3.04 0.00 0.00 177.10 173.39 2rqa s VAL 580 N 3.27 4.14 0.00 -5.21 1.01 -1.24 -4.22 120.40 118.15 2rqa s VAL 580 Ca 0.27 1.85 0.00 0.00 0.00 0.00 0.00 61.98 64.09 2rqa s VAL 580 Cb -0.13 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.07 2rqa s VAL 580 CO 0.20 0.32 0.00 0.59 0.00 0.00 0.00 175.10 176.20 2rqa n ASN 581 N 2.46 0.00 0.06 3.32 5.03 -1.26 -4.60 115.26 120.27 2rqa n ASN 581 Ca 0.02 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.35 2rqa n ASN 581 Cb 0.47 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.22 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 0.39 0.00 3.52 0.13 -1.95 -2.81 132.00 131.28 2rqa h PRO 582 Ca 0.00 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2rqa h PRO 582 Cb 0.00 0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.23 2rqa h PRO 582 CO 0.00 1.04 0.00 0.09 -0.23 0.00 0.00 178.00 178.90 2rqa n ASN 583 N -3.77 0.00 0.11 1.44 3.02 -1.26 -3.11 115.26 111.68 2rqa n ASN 583 Ca -0.05 -0.79 -0.03 0.00 -0.03 0.00 0.00 54.58 53.68 2rqa n ASN 583 Cb 0.78 -0.05 0.18 0.00 -0.61 0.00 0.00 39.78 40.08 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 0.20 -0.08 3.10 3.57 -1.79 -2.68 116.94 119.26 2rqa h PHE 584 Ca 0.00 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.46 2rqa h PHE 584 Cb 0.05 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 2rqa h PHE 584 CO 0.00 0.67 0.12 1.03 -2.23 0.00 0.00 178.31 177.90 2rqa h SER 585 N 0.12 0.00 1.11 0.41 0.87 -1.71 0.70 113.55 115.06 2rqa h SER 585 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2rqa h SER 585 Cb 1.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2rqa h SER 585 CO 0.08 0.00 -0.67 0.78 -0.53 0.00 0.00 176.83 176.49 2rqa h ASN 586 N 0.00 0.00 -0.20 6.23 2.35 -1.71 -3.24 115.58 119.01 2rqa h ASN 586 Ca 0.04 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2rqa h ASN 586 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 2rqa h ASN 586 CO -0.00 0.04 0.00 -1.22 -1.65 0.00 0.00 177.43 174.60 2rqa n TYR 587 N -2.51 0.25 -3.46 1.19 4.01 0.24 -4.73 117.16 112.15 2rqa n TYR 587 Ca 0.02 -0.12 -0.11 0.00 -0.16 0.00 0.00 57.90 57.53 2rqa n TYR 587 Cb 0.50 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.51 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 -1.75 -0.47 -0.07 -0.72 -0.85 -0.73 -0.17 117.35 112.58 2rqa s TYR 588 Ca 0.34 0.33 0.01 0.00 -0.52 0.00 0.00 57.07 57.24 2rqa s TYR 588 Cb 0.19 0.54 0.02 0.00 0.38 0.00 0.00 41.96 43.09 2rqa s TYR 588 CO 0.29 -0.71 -0.10 -0.80 -1.52 0.00 0.00 175.55 172.70 2rqa s ASN 589 N -2.54 1.75 0.14 -0.18 0.01 -0.69 -4.65 114.94 108.79 2rqa s ASN 589 Ca 0.02 -0.28 -0.30 0.00 -0.71 0.00 0.00 52.86 51.59 2rqa s ASN 589 Cb -0.01 -0.78 -0.07 0.00 0.41 0.00 0.00 41.25 40.80 2rqa s ASN 589 CO -0.10 -0.01 1.15 -0.69 -1.51 0.00 0.00 177.10 175.94 2rqa s VAL 590 N 0.93 3.85 1.23 1.60 1.01 -1.26 -3.12 120.40 124.65 2rqa s VAL 590 Ca -0.10 1.50 -0.18 0.00 0.00 0.00 0.00 61.98 63.20 2rqa s VAL 590 Cb -0.15 -3.96 0.26 0.00 0.00 0.00 0.00 36.38 32.53 2rqa s VAL 590 CO 0.01 0.21 0.60 -0.24 0.00 0.00 0.00 175.10 175.67 2rqa n SER 591 N 2.87 -2.92 0.07 3.32 2.88 0.81 -4.92 113.62 115.74 2rqa n SER 591 Ca 0.05 -0.43 -0.06 0.00 -1.33 0.00 0.00 58.87 57.11 2rqa n SER 591 Cb 0.46 -1.01 -0.03 0.00 -0.75 0.00 0.00 64.21 62.88 2rqa n SER 591 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2rqa h ARG 592 N -2.86 -0.27 -6.29 -1.46 3.08 -1.95 -3.44 114.38 101.19 2rqa h ARG 592 Ca -0.47 0.02 -0.58 0.00 0.07 0.00 0.00 59.98 59.02 2rqa h ARG 592 Cb 1.23 0.06 0.19 0.00 0.08 0.00 0.00 29.97 31.53 2rqa h ARG 592 CO 0.33 -0.10 -0.92 -0.25 -1.07 0.00 0.00 179.97 177.96 2rqa n ASP 593 N -4.96 -2.90 0.00 7.04 9.92 -1.26 -4.97 116.55 119.42 2rqa n ASP 593 Ca -0.04 0.57 0.00 0.00 -0.53 0.00 0.00 54.79 54.78 2rqa n ASP 593 Cb 0.15 -1.00 0.00 0.00 -0.64 0.00 0.00 41.12 39.63 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 0.71 0.00 -4.12 -0.24 -0.04 -1.26 -4.70 135.00 125.35 2rqa n PRO 594 Ca 0.07 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.19 2rqa n PRO 594 Cb 0.50 -0.14 -0.11 0.00 -0.04 0.00 0.00 33.50 33.70 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 4.38 -0.48 0.52 1.01 -1.25 -4.02 120.40 120.55 2rqa s VAL 595 Ca 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 61.98 61.85 2rqa s VAL 595 Cb 0.00 -2.96 0.18 0.00 0.00 0.00 0.00 36.38 33.60 2rqa s VAL 595 CO 0.00 0.46 0.41 0.52 0.00 0.00 0.00 175.10 176.49 2rqa n VAL 596 N 3.73 -0.39 -4.03 2.92 0.31 -1.26 -5.09 118.33 114.52 2rqa n VAL 596 Ca -0.17 -3.88 -0.09 0.00 -0.01 0.00 0.00 64.34 60.19 2rqa n VAL 596 Cb 0.52 -1.82 -0.09 0.00 -0.91 0.00 0.00 33.84 31.55 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 -0.51 0.12 0.08 2.52 1.01 -1.26 -4.99 121.20 118.15 2rqa s ILE 597 Ca 0.32 -1.60 -0.30 0.00 0.00 0.00 0.00 60.65 59.07 2rqa s ILE 597 Cb 0.04 -1.77 -0.14 0.00 0.01 0.00 0.00 42.46 40.60 2rqa s ILE 597 CO -0.18 -0.53 1.47 0.78 0.00 0.00 0.00 174.94 176.49 2rqa h ASN 598 N 2.79 -1.23 -4.21 3.58 2.35 -2.08 -3.45 115.58 113.33 2rqa h ASN 598 Ca -0.34 0.11 -0.50 0.00 -0.55 0.00 0.00 56.30 55.02 2rqa h ASN 598 Cb 1.20 0.42 -0.13 0.00 0.05 0.00 0.00 38.32 39.85 2rqa h ASN 598 CO 0.56 -0.55 -0.52 -1.59 -1.65 0.00 0.00 177.43 173.68 2rqa s LYS 599 N -5.40 1.80 0.12 0.81 0.00 -1.26 -5.16 119.74 110.65 2rqa s LYS 599 Ca -0.15 -2.07 0.04 0.00 0.00 0.00 0.00 55.97 53.80 2rqa s LYS 599 Cb 0.04 -0.26 -0.04 0.00 0.00 0.00 0.00 37.83 37.57 2rqa s LYS 599 CO 0.51 -0.51 0.09 0.08 0.00 0.00 0.00 175.35 175.52 2rqa s VAL 600 N -3.37 4.38 0.34 1.79 1.01 -1.26 -5.03 120.40 118.27 2rqa s VAL 600 Ca 0.31 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 61.39 2rqa s VAL 600 Cb 0.03 -3.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 2rqa s VAL 600 CO 0.18 0.01 0.27 -0.36 0.00 0.00 0.00 175.10 175.20 2rqa s PHE 601 N -1.55 2.85 -0.17 5.22 0.40 -1.25 -5.07 117.98 118.40 2rqa s PHE 601 Ca 0.29 -0.34 -0.14 0.00 -0.60 0.00 0.00 56.93 56.14 2rqa s PHE 601 Cb -0.11 -1.80 -0.07 0.00 0.51 0.00 0.00 43.02 41.55 2rqa s PHE 601 CO 0.22 0.19 -0.30 1.63 0.70 0.00 0.00 175.22 177.65 2rqa n LYS 602 N -1.34 0.47 -0.57 0.44 4.01 -1.26 -4.41 118.16 115.50 2rqa n LYS 602 Ca -0.02 0.19 0.46 0.00 -0.51 0.00 0.00 58.31 58.44 2rqa n LYS 602 Cb 0.60 -1.32 0.77 0.00 -0.51 0.00 0.00 35.03 34.57 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 -0.86 0.07 -5.06 4.39 3.45 -1.99 -3.40 116.42 113.01 2rqa h ASP 603 Ca -0.20 0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.29 2rqa h ASP 603 Cb 1.08 0.03 -0.10 0.00 -0.56 0.00 0.00 39.33 39.78 2rqa h ASP 603 CO -0.12 -0.05 0.08 -1.66 -1.57 0.00 0.00 179.24 175.92 2rqa s TRP 604 N -5.00 -0.19 0.21 4.55 1.48 -1.26 -4.88 118.94 113.84 2rqa s TRP 604 Ca -0.06 -0.14 0.09 0.00 -1.06 0.00 0.00 56.10 54.93 2rqa s TRP 604 Cb 0.27 0.45 -0.04 0.00 -1.16 0.00 0.00 33.47 32.99 2rqa s TRP 604 CO 0.86 -0.94 -0.07 -1.59 -4.06 0.00 0.00 176.95 171.15 2rqa s LYS 605 N -3.86 2.11 0.98 3.25 -2.85 -1.08 -3.93 119.74 114.35 2rqa s LYS 605 Ca 0.08 -1.33 -0.14 0.00 -1.00 0.00 0.00 55.97 53.58 2rqa s LYS 605 Cb -0.01 -2.15 0.18 0.00 -2.06 0.00 0.00 37.83 33.79 2rqa s LYS 605 CO -0.03 0.41 1.17 -1.25 0.10 0.00 0.00 175.35 175.75 2rqa s PRO 606 N -3.08 0.59 0.00 1.78 0.04 -1.26 -1.82 135.00 131.24 2rqa s PRO 606 Ca 0.27 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.39 2rqa s PRO 606 Cb -0.08 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2rqa s PRO 606 CO 0.16 -2.53 0.00 0.41 0.04 0.00 0.00 177.00 175.09 2rqa n GLY 607 N -2.29 2.36 2.97 0.56 0.00 0.48 -4.57 105.19 104.70 2rqa n GLY 607 Ca 0.10 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 0.16 0.03 -0.02 0.00 -1.22 -3.93 107.32 102.35 2rqa s GLY 608 Ca 0.00 -0.39 -0.35 0.00 0.00 0.00 0.00 44.72 43.98 2rqa s GLY 608 CO 0.00 -0.45 1.66 -0.62 0.00 0.00 0.00 173.10 173.69 2rqa n VAL 609 N 1.94 0.22 -3.64 1.40 0.31 -1.26 0.28 118.33 117.58 2rqa n VAL 609 Ca -0.21 -0.04 -0.34 0.00 -0.01 0.00 0.00 64.34 63.74 2rqa n VAL 609 Cb 0.56 -1.54 -0.05 0.00 -0.91 0.00 0.00 33.84 31.90 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 2.12 5.16 -0.15 2.52 1.01 -0.78 -0.13 121.20 130.95 2rqa s ILE 610 Ca 0.86 0.27 -0.06 0.00 0.00 0.00 0.00 60.65 61.71 2rqa s ILE 610 Cb -0.75 -3.62 0.07 0.00 0.01 0.00 0.00 42.46 38.17 2rqa s ILE 610 CO 0.46 0.23 0.32 -0.94 0.00 0.00 0.00 174.94 175.00 2rqa s SER 611 N -1.95 0.06 -0.29 3.58 1.04 -1.18 -1.25 113.70 113.71 2rqa s SER 611 Ca 0.34 0.73 -0.40 0.00 0.48 0.00 0.00 55.95 57.11 2rqa s SER 611 Cb -0.13 0.88 -0.15 0.00 0.10 0.00 0.00 66.02 66.72 2rqa s SER 611 CO 0.20 -0.23 1.82 0.00 0.98 0.00 0.00 173.24 176.01 2rqa h ARG 613 N 7.95 0.00 -0.51 0.00 2.43 -0.85 1.52 114.38 124.92 2rqa h ARG 613 Ca -0.43 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.65 2rqa h ARG 613 Cb 1.32 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.85 2rqa h ARG 613 CO 0.97 0.32 -0.04 -0.91 -1.51 0.00 0.00 179.97 178.80 2rqa h ASN 614 N 0.00 0.87 0.00 -3.80 2.35 -1.87 -3.42 115.58 109.70 2rqa h ASN 614 Ca -0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 2rqa h ASN 614 Cb 0.75 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2rqa h ASN 614 CO 0.04 0.95 0.00 0.00 -1.65 0.00 0.00 177.43 176.77 2rqa n GLY 616 N 3.19 0.51 3.45 0.00 0.00 0.52 -4.94 105.19 107.91 2rqa n GLY 616 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 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 0.18 -1.66 1.61 2.13 -1.26 -3.89 120.64 117.74 2rqa n GLU 617 Ca 0.00 0.02 -0.52 0.00 0.66 0.00 0.00 57.16 57.31 2rqa n GLU 617 Cb 0.00 -1.76 -0.06 0.00 0.27 0.00 0.00 31.44 29.89 2rqa n GLU 617 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2rqa n VAL 618 N 7.33 0.21 0.07 6.31 0.31 -1.26 -3.09 118.33 128.21 2rqa n VAL 618 Ca 0.59 -0.04 -0.22 0.00 -0.01 0.00 0.00 64.34 64.66 2rqa n VAL 618 Cb 0.08 -1.26 -0.15 0.00 -0.91 0.00 0.00 33.84 31.60 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 6.53 0.69 0.00 3.52 6.55 -1.47 -3.48 115.95 128.29 2rqa h TRP 619 Ca -0.47 -0.50 0.00 0.00 0.95 0.00 0.00 58.89 58.87 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 0.71 1.63 0.00 0.41 -1.05 0.00 0.00 178.44 180.15 2rqa n GLY 620 N 1.83 -1.06 3.42 1.49 0.00 -1.21 -3.55 105.19 106.11 2rqa n GLY 620 Ca -0.23 0.39 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.25 0.05 0.99 -0.00 -1.21 -1.87 118.68 116.39 2rqa s LEU 621 Ca 0.00 0.23 -0.24 0.00 -0.00 0.00 0.00 54.13 54.12 2rqa s LEU 621 Cb 0.00 2.27 -0.06 0.00 -0.00 0.00 0.00 46.19 48.41 2rqa s LEU 621 CO 0.00 -0.75 0.74 -1.58 -0.00 0.00 0.00 176.35 174.76 2rqa s GLN 622 N -2.48 4.47 -0.01 1.48 0.74 0.14 -1.94 119.66 122.07 2rqa s GLN 622 Ca -0.05 1.02 0.06 0.00 0.05 0.00 0.00 55.36 56.44 2rqa s GLN 622 Cb -0.01 -3.35 -0.03 0.00 1.10 0.00 0.00 33.01 30.73 2rqa s GLN 622 CO -0.02 0.32 -0.19 -1.64 -0.55 0.00 0.00 175.29 173.22 2rqa s MET 623 N -0.17 2.24 0.01 1.67 -1.94 0.54 0.18 119.30 121.82 2rqa s MET 623 Ca 0.37 -0.86 0.05 0.00 -1.71 0.00 0.00 55.69 53.54 2rqa s MET 623 Cb -0.20 -2.22 -0.03 0.00 2.01 0.00 0.00 34.83 34.38 2rqa s MET 623 CO 0.22 0.58 -0.14 0.42 -0.01 0.00 0.00 175.02 176.09 2rqa s ILE 624 N -0.78 3.06 -0.26 2.53 1.09 -0.76 -0.16 121.20 125.93 2rqa s ILE 624 Ca 0.12 -0.97 -0.02 0.00 -1.10 0.00 0.00 60.65 58.68 2rqa s ILE 624 Cb -0.10 -2.28 0.14 0.00 -1.06 0.00 0.00 42.46 39.16 2rqa s ILE 624 CO 0.02 0.41 0.39 -0.47 -0.10 0.00 0.00 174.94 175.19 2rqa s TYR 625 N -0.90 -0.87 -0.98 3.97 5.04 -1.05 -2.65 117.35 119.92 2rqa s TYR 625 Ca 0.15 0.72 0.00 0.00 -2.44 0.00 0.00 57.07 55.49 2rqa s TYR 625 Cb -0.11 -0.02 0.00 0.00 0.35 0.00 0.00 41.96 42.18 2rqa s TYR 625 CO 0.05 -0.78 0.00 1.63 -1.34 0.00 0.00 175.55 175.10 2rqa n LYS 626 N 5.36 -0.74 -1.84 4.97 4.01 -1.26 -2.56 118.16 126.10 2rqa n LYS 626 Ca -0.03 0.80 0.00 0.00 -0.51 0.00 0.00 58.31 58.57 2rqa n LYS 626 Cb 0.50 -4.71 0.00 0.00 -0.51 0.00 0.00 35.03 30.31 2rqa n LYS 626 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 2rqa n SER 627 N 0.25 -1.49 -3.95 4.39 3.41 -1.26 -5.07 113.62 109.90 2rqa n SER 627 Ca -0.09 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.22 2rqa n SER 627 Cb 0.33 -0.37 -0.16 0.00 -0.26 0.00 0.00 64.21 63.75 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 -2.73 1.40 -0.65 -3.33 1.01 -1.06 -5.07 120.40 109.98 2rqa s VAL 628 Ca 0.00 -0.86 -0.27 0.00 0.00 0.00 0.00 61.98 60.86 2rqa s VAL 628 Cb 0.00 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 2rqa s VAL 628 CO 0.00 0.14 1.69 -0.54 0.00 0.00 0.00 175.10 176.39 2rqa s LYS 629 N 1.50 2.79 -0.26 2.72 -0.14 -1.26 -2.52 119.74 122.56 2rqa s LYS 629 Ca -0.01 0.37 0.01 0.00 -1.36 0.00 0.00 55.97 54.98 2rqa s LYS 629 Cb -0.16 -4.33 0.05 0.00 -1.68 0.00 0.00 37.83 31.71 2rqa s LYS 629 CO -0.08 -2.56 -0.08 -0.51 -0.76 0.00 0.00 175.35 171.36 2rqa s LEU 630 N 8.11 3.43 0.13 3.17 1.43 0.78 -4.72 118.68 131.02 2rqa s LEU 630 Ca 0.58 -1.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.17 2rqa s LEU 630 Cb -0.11 -1.61 -0.07 0.00 0.03 0.00 0.00 46.19 44.43 2rqa s LEU 630 CO 0.19 -0.18 1.14 -2.16 0.23 0.00 0.00 176.35 175.56 2rqa s PRO 631 N 1.20 4.53 -0.47 1.29 0.04 -1.26 -0.34 135.00 139.99 2rqa s PRO 631 Ca -0.05 1.74 -0.13 0.00 0.04 0.00 0.00 61.00 62.59 2rqa s PRO 631 Cb -0.19 -3.30 0.09 0.00 0.04 0.00 0.00 34.50 31.14 2rqa s PRO 631 CO -0.04 -0.05 0.38 0.08 0.04 0.00 0.00 177.00 177.40 2rqa s VAL 632 N 0.25 4.90 0.44 -0.36 1.01 -0.82 -2.33 120.40 123.49 2rqa s VAL 632 Ca 0.53 -1.29 0.07 0.00 0.00 0.00 0.00 61.98 61.29 2rqa s VAL 632 Cb -0.29 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.07 2rqa s VAL 632 CO 0.33 -0.63 0.40 -0.76 0.00 0.00 0.00 175.10 174.44 2rqa s LEU 633 N 1.56 3.29 0.00 3.92 2.01 -1.20 -3.36 118.68 124.89 2rqa s LEU 633 Ca 0.04 -0.82 0.03 0.00 0.01 0.00 0.00 54.13 53.39 2rqa s LEU 633 Cb -0.25 -1.92 0.04 0.00 0.01 0.00 0.00 46.19 44.07 2rqa s LEU 633 CO 0.04 -0.75 0.33 0.29 1.01 0.00 0.00 176.35 177.28 2rqa n LYS 634 N -1.61 0.70 -0.00 1.70 5.02 -1.23 -4.64 118.16 118.10 2rqa n LYS 634 Ca 0.03 -1.16 0.07 0.00 -2.02 0.00 0.00 58.31 55.23 2rqa n LYS 634 Cb 0.62 -0.14 -0.10 0.00 -0.02 0.00 0.00 35.03 35.39 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 -1.63 0.00 0.06 -0.18 3.14 -1.26 -4.02 118.33 114.45 2rqa n VAL 635 Ca 0.06 -0.25 0.07 0.00 -2.96 0.00 0.00 64.34 61.26 2rqa n VAL 635 Cb 0.23 0.57 -0.05 0.00 -1.06 0.00 0.00 33.84 33.53 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 -1.69 0.62 0.04 1.45 0.00 -0.22 -3.48 116.66 113.38 2rqa n ARG 636 Ca -0.00 0.12 0.12 0.00 -0.00 0.00 0.00 57.85 58.09 2rqa n ARG 636 Cb 0.31 -1.78 0.17 0.00 -0.00 0.00 0.00 32.46 31.16 2rqa n ARG 636 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2rqa n SER 637 N -2.70 0.63 -4.69 2.89 2.88 -1.26 -4.73 113.62 106.63 2rqa n SER 637 Ca -0.04 -0.01 -0.31 0.00 -1.33 0.00 0.00 58.87 57.17 2rqa n SER 637 Cb 0.66 0.27 -0.08 0.00 -0.75 0.00 0.00 64.21 64.31 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 -3.13 2.69 -0.05 -1.46 -1.94 -1.25 -2.72 119.30 111.44 2rqa s MET 638 Ca 0.07 -0.71 0.03 0.00 -1.71 0.00 0.00 55.69 53.37 2rqa s MET 638 Cb 0.15 -2.62 -0.03 0.00 2.01 0.00 0.00 34.83 34.34 2rqa s MET 638 CO 0.73 0.59 -0.11 -1.17 -0.01 0.00 0.00 175.02 175.04 2rqa s LEU 639 N -1.91 2.91 -0.64 -0.03 2.96 0.82 -4.53 118.68 118.26 2rqa s LEU 639 Ca 0.23 -0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 53.93 2rqa s LEU 639 Cb -0.12 -1.62 0.17 0.00 0.50 0.00 0.00 46.19 45.12 2rqa s LEU 639 CO 0.14 0.34 0.49 -0.76 -1.32 0.00 0.00 176.35 175.25 2rqa s LEU 640 N -0.83 5.69 -0.22 -0.68 2.01 -0.90 -2.03 118.68 121.72 2rqa s LEU 640 Ca 0.12 -2.61 -0.29 0.00 0.01 0.00 0.00 54.13 51.36 2rqa s LEU 640 Cb -0.11 -1.97 -0.01 0.00 0.01 0.00 0.00 46.19 44.11 2rqa s LEU 640 CO 0.01 -0.48 1.38 -1.61 1.01 0.00 0.00 176.35 176.67 2rqa s GLU 641 N 0.30 4.02 0.18 1.70 2.02 -1.20 -2.31 118.70 123.41 2rqa s GLU 641 Ca 0.15 1.56 0.07 0.00 0.02 0.00 0.00 54.97 56.76 2rqa s GLU 641 Cb -0.19 -3.88 -0.05 0.00 0.10 0.00 0.00 34.13 30.11 2rqa s GLU 641 CO -0.04 -0.99 -0.13 0.95 0.02 0.00 0.00 175.26 175.07 2rqa s THR 642 N 4.22 1.53 -2.00 3.63 -4.23 -1.25 -3.13 115.64 114.40 2rqa s THR 642 Ca 0.60 -2.15 0.18 0.00 -1.18 0.00 0.00 61.69 59.15 2rqa s THR 642 Cb -0.22 -1.96 0.51 0.00 1.34 0.00 0.00 72.50 72.18 2rqa s THR 642 CO 0.22 -0.64 1.54 -0.81 -0.54 0.00 0.00 174.62 174.38 2rqa n PRO 643 N -0.29 0.75 0.00 3.99 -0.04 -1.26 -1.96 135.00 136.19 2rqa n PRO 643 Ca -0.09 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.41 2rqa n PRO 643 Cb 0.60 -1.38 -0.01 0.00 -0.04 0.00 0.00 33.50 32.67 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 -0.88 2.98 0.00 0.54 6.02 -1.26 -5.08 117.38 119.70 2rqa n GLN 644 Ca 0.14 -0.36 0.00 0.00 -0.01 0.00 0.00 57.00 56.76 2rqa n GLN 644 Cb 0.06 -0.95 0.00 0.00 1.02 0.00 0.00 30.24 30.37 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 0.89 3.97 3.73 1.08 0.00 -0.83 -5.10 105.19 108.94 2rqa n GLY 645 Ca 0.03 -1.45 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 2rqa n GLY 645 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rqa s ARG 646 N -4.44 2.35 -0.01 1.61 0.52 -1.26 -3.91 118.95 113.80 2rqa s ARG 646 Ca 0.00 1.76 0.01 0.00 -0.52 0.00 0.00 55.73 56.97 2rqa s ARG 646 Cb 0.00 -1.86 0.01 0.00 0.52 0.00 0.00 34.95 33.62 2rqa s ARG 646 CO 0.00 -1.67 -0.01 0.42 0.02 0.00 0.00 175.30 174.06 2rqa s ILE 647 N -1.92 0.14 -0.21 1.52 1.01 -0.98 -4.96 121.20 115.80 2rqa s ILE 647 Ca 0.75 -0.01 -0.02 0.00 0.00 0.00 0.00 60.65 61.37 2rqa s ILE 647 Cb -0.29 -0.17 0.06 0.00 0.01 0.00 0.00 42.46 42.07 2rqa s ILE 647 CO 0.43 0.08 0.03 -1.58 0.00 0.00 0.00 174.94 173.89 2rqa s GLN 648 N 0.37 0.79 0.33 2.79 -0.44 -1.26 -2.12 119.66 120.13 2rqa s GLN 648 Ca -0.03 -0.56 0.08 0.00 -2.50 0.00 0.00 55.36 52.35 2rqa s GLN 648 Cb -0.06 -2.17 -0.03 0.00 -1.64 0.00 0.00 33.01 29.12 2rqa s GLN 648 CO -0.01 -0.67 0.24 0.00 0.50 0.00 0.00 175.29 175.35 2rqa s ALA 649 N 1.77 3.72 -1.26 1.58 0.00 -1.23 -5.00 121.76 121.35 2rqa s ALA 649 Ca -0.01 -1.70 0.12 0.00 0.00 0.00 0.00 51.96 50.38 2rqa s ALA 649 Cb -0.17 -1.04 0.03 0.00 0.00 0.00 0.00 23.12 21.94 2rqa s ALA 649 CO -0.09 0.03 0.77 1.63 0.00 0.00 0.00 175.76 178.09 2rqa n LYS 650 N -1.29 1.56 -3.77 0.00 5.02 -1.26 -1.06 118.16 117.36 2rqa n LYS 650 Ca -0.02 -0.86 -0.14 0.00 -2.02 0.00 0.00 58.31 55.27 2rqa n LYS 650 Cb 0.60 -1.18 -0.14 0.00 -0.02 0.00 0.00 35.03 34.29 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 -1.37 0.07 0.35 1.97 -0.14 -1.26 -4.65 119.74 114.71 2rqa s LYS 651 Ca 0.12 0.30 0.25 0.00 -1.36 0.00 0.00 55.97 55.27 2rqa s LYS 651 Cb 0.10 -0.15 1.28 0.00 -1.68 0.00 0.00 37.83 37.38 2rqa s LYS 651 CO 0.25 -0.14 1.76 -1.49 -0.76 0.00 0.00 175.35 174.98 2rqa h TRP 652 N 7.01 0.00 0.00 3.18 4.06 -1.95 0.79 115.95 129.04 2rqa h TRP 652 Ca -0.40 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.55 2rqa h TRP 652 Cb 1.15 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.31 2rqa h TRP 652 CO 0.44 0.00 0.00 0.45 -3.56 0.00 0.00 178.44 175.77 2rqa n SER 653 N -2.38 0.00 -0.00 -3.49 2.88 -1.26 -1.45 113.62 107.92 2rqa n SER 653 Ca -0.01 0.45 0.03 0.00 -1.33 0.00 0.00 58.87 58.01 2rqa n SER 653 Cb 0.09 -0.47 -0.04 0.00 -0.75 0.00 0.00 64.21 63.04 2rqa n SER 653 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2rqa n ARG 654 N -1.47 2.99 -1.52 -1.46 5.12 0.26 -5.03 116.66 115.55 2rqa n ARG 654 Ca 0.03 -0.02 -0.60 0.00 -1.93 0.00 0.00 57.85 55.33 2rqa n ARG 654 Cb 0.12 -0.94 -0.08 0.00 -1.16 0.00 0.00 32.46 30.40 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 -1.38 0.00 -0.02 1.55 0.31 -0.53 -4.87 118.33 113.39 2rqa n VAL 655 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2rqa n VAL 655 Cb 0.12 -0.06 -0.10 0.00 -0.91 0.00 0.00 33.84 32.90 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 3.22 -0.06 -7.30 5.55 0.13 -1.92 -3.46 132.00 128.17 2rqa h PRO 656 Ca -0.50 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.15 2rqa h PRO 656 Cb 1.42 0.01 0.16 0.00 0.13 0.00 0.00 31.00 32.72 2rqa h PRO 656 CO 0.69 0.57 0.22 -0.59 -0.23 0.00 0.00 178.00 178.65 2rqa s PHE 657 N -3.12 2.10 0.22 1.56 -0.71 -1.24 -4.66 117.98 112.13 2rqa s PHE 657 Ca -0.15 1.34 -0.14 0.00 -1.04 0.00 0.00 56.93 56.94 2rqa s PHE 657 Cb -0.01 -3.17 -0.08 0.00 -1.21 0.00 0.00 43.02 38.56 2rqa s PHE 657 CO 0.58 -2.62 0.62 -1.12 -1.34 0.00 0.00 175.22 171.35 2rqa s SER 658 N -3.19 6.80 -0.34 1.98 0.01 -1.26 -5.00 113.70 112.70 2rqa s SER 658 Ca 0.64 1.14 -0.00 0.00 1.31 0.00 0.00 55.95 59.04 2rqa s SER 658 Cb -0.20 -2.31 0.11 0.00 0.21 0.00 0.00 66.02 63.83 2rqa s SER 658 CO 0.58 -0.03 0.14 -0.69 0.41 0.00 0.00 173.24 173.65 2rqa s VAL 659 N -1.69 0.84 0.51 3.43 1.01 -1.26 -4.84 120.40 118.40 2rqa s VAL 659 Ca 0.45 -1.63 -0.19 0.00 0.00 0.00 0.00 61.98 60.61 2rqa s VAL 659 Cb -0.13 -1.63 -0.08 0.00 0.00 0.00 0.00 36.38 34.54 2rqa s VAL 659 CO 0.20 -0.76 1.04 -2.16 0.00 0.00 0.00 175.10 173.42 2rqa s PRO 660 N 1.33 3.72 0.69 2.72 0.04 -1.26 -4.36 135.00 137.87 2rqa s PRO 660 Ca 0.12 1.32 -0.14 0.00 0.04 0.00 0.00 61.00 62.34 2rqa s PRO 660 Cb -0.19 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.28 2rqa s PRO 660 CO -0.18 -0.50 1.13 0.16 0.04 0.00 0.00 177.00 177.65 2rqa s ASP 661 N -2.16 4.84 -0.31 6.66 1.47 -1.26 0.30 116.67 126.21 2rqa s ASP 661 Ca 0.66 2.05 -0.28 0.00 1.18 0.00 0.00 52.55 56.16 2rqa s ASP 661 Cb -0.16 -2.56 -0.04 0.00 -0.34 0.00 0.00 42.92 39.82 2rqa s ASP 661 CO 0.23 -1.82 2.08 0.12 0.68 0.00 0.00 175.17 176.46 2rqa s PHE 662 N -2.34 1.41 -0.80 2.11 5.36 0.19 -4.61 117.98 119.29 2rqa s PHE 662 Ca 0.68 0.71 -0.25 0.00 -0.96 0.00 0.00 56.93 57.10 2rqa s PHE 662 Cb -0.22 -3.97 -0.04 0.00 -0.34 0.00 0.00 43.02 38.46 2rqa s PHE 662 CO 0.44 -3.40 1.91 -0.51 -1.46 0.00 0.00 175.22 172.19 2rqa s ASP 663 N 7.98 5.21 0.41 6.13 1.01 -1.26 -4.77 116.67 131.38 2rqa s ASP 663 Ca 0.91 -0.34 0.15 0.00 0.71 0.00 0.00 52.55 53.98 2rqa s ASP 663 Cb -0.26 -2.55 0.86 0.00 1.01 0.00 0.00 42.92 41.98 2rqa s ASP 663 CO 0.33 -2.59 1.89 0.15 0.21 0.00 0.00 175.17 175.15 2rqa h PHE 664 N 12.53 0.00 -0.77 4.23 3.57 -1.98 -1.62 116.94 132.91 2rqa h PHE 664 Ca -0.03 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.50 2rqa h PHE 664 Cb 1.06 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.75 2rqa h PHE 664 CO 1.16 0.30 0.49 -0.07 -2.23 0.00 0.00 178.31 177.96 2rqa h LEU 665 N 0.00 0.82 0.21 0.59 3.38 -1.98 0.49 115.31 118.82 2rqa h LEU 665 Ca -0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2rqa h LEU 665 Cb 0.56 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2rqa h LEU 665 CO 0.04 0.57 -0.10 -0.61 0.09 0.00 0.00 178.44 178.43 2rqa h GLN 666 N 0.96 -0.27 -0.99 1.13 5.75 -1.86 -0.88 115.11 118.95 2rqa h GLN 666 Ca 0.30 0.02 0.27 0.00 -0.15 0.00 0.00 58.65 59.09 2rqa h GLN 666 Cb -0.01 0.06 -0.06 0.00 1.07 0.00 0.00 27.48 28.54 2rqa h GLN 666 CO -0.10 0.02 0.69 0.45 -2.65 0.00 0.00 178.83 177.23 2rqa h HIS 667 N -1.00 0.26 0.04 3.99 3.86 -1.23 1.67 115.15 122.75 2rqa h HIS 667 Ca -0.03 0.01 -0.24 0.00 -1.16 0.00 0.00 60.37 58.95 2rqa h HIS 667 Cb 0.41 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.80 2rqa h HIS 667 CO 0.05 0.04 -1.03 0.00 0.86 0.00 0.00 177.93 177.85 2rqa n ALA 669 N -2.53 2.29 0.42 0.00 0.00 0.40 0.26 120.51 121.35 2rqa n ALA 669 Ca -0.07 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.37 2rqa n ALA 669 Cb 0.89 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.78 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 -1.73 1.34 -0.06 0.00 -0.58 0.47 -3.00 120.64 117.09 2rqa n GLU 670 Ca 0.06 -0.06 -0.04 0.00 -0.42 0.00 0.00 57.16 56.70 2rqa n GLU 670 Cb 0.36 -1.29 -0.12 0.00 -0.57 0.00 0.00 31.44 29.82 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 -1.64 1.24 -0.09 1.62 5.03 0.74 -4.71 115.26 117.45 2rqa n ASN 671 Ca 0.01 0.00 -0.12 0.00 0.87 0.00 0.00 54.58 55.33 2rqa n ASN 671 Cb 0.31 1.06 -0.04 0.00 -1.02 0.00 0.00 39.78 40.08 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 -2.46 1.90 -1.27 3.41 4.77 0.14 -4.98 117.00 118.52 2rqa n LEU 672 Ca -0.20 0.42 -0.15 0.00 -0.03 0.00 0.00 56.01 56.04 2rqa n LEU 672 Cb 0.88 -0.80 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 2rqa n LEU 672 CO 0.33 -0.15 -0.15 -1.20 -1.33 0.00 0.00 177.39 174.88 2rqa n SER 673 N -4.47 -4.79 0.14 -1.43 7.64 -1.16 -4.83 113.62 104.71 2rqa n SER 673 Ca -0.20 0.31 0.13 0.00 1.01 0.00 0.00 58.87 60.11 2rqa n SER 673 Cb 0.52 -3.69 0.48 0.00 -1.01 0.00 0.00 64.21 60.51 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 0.22 6.43 1.82 -1.87 -3.23 116.42 119.79 2rqa h ASP 674 Ca -0.32 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.31 2rqa h ASP 674 Cb 1.04 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.06 2rqa h ASP 674 CO 0.45 0.00 -0.11 -0.07 -1.61 0.00 0.00 179.24 177.91 2rqa h LEU 675 N 0.00 -0.25 -7.39 2.28 -0.00 -1.90 -3.50 115.31 104.55 2rqa h LEU 675 Ca 0.00 0.01 0.30 0.00 -0.00 0.00 0.00 57.88 58.19 2rqa h LEU 675 Cb 0.48 0.06 -0.11 0.00 -0.00 0.00 0.00 40.66 41.10 2rqa h LEU 675 CO 0.00 -0.02 0.79 -0.94 -0.00 0.00 0.00 178.44 178.27 2rqa s SER 676 N -3.82 -0.06 -0.06 -0.43 1.04 -1.22 -5.08 113.70 104.08 2rqa s SER 676 Ca -0.04 -0.20 -0.02 0.00 0.48 0.00 0.00 55.95 56.16 2rqa s SER 676 Cb 0.00 0.21 -0.03 0.00 0.10 0.00 0.00 66.02 66.31 2rqa s SER 676 CO 0.13 -0.40 -0.07 0.18 0.98 0.00 0.00 173.24 174.06 2rqa n LEU 677 N -0.55 0.84 0.00 2.42 7.99 -1.26 -4.86 117.00 121.58 2rqa n LEU 677 Ca -0.07 0.06 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 2rqa n LEU 677 Cb 0.62 -0.18 0.00 0.00 -0.11 0.00 0.00 43.42 43.75 2rqa n LEU 677 CO 0.13 0.20 0.01 -0.67 -1.51 0.00 0.00 177.39 175.55