#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 4.31 -0.03 1.61 0.04 -1.26 -4.88 135.00 134.78 2rqa s PRO 543 Ca 0.00 1.70 -0.04 0.00 0.04 0.00 0.00 61.00 62.70 2rqa s PRO 543 Cb 0.00 -3.63 -0.02 0.00 0.04 0.00 0.00 34.50 30.89 2rqa s PRO 543 CO 0.00 -0.54 -0.08 0.72 0.04 0.00 0.00 177.00 177.13 2rqa n HIS 544 N 5.68 0.00 -3.98 0.56 8.25 -1.26 -5.03 115.22 119.45 2rqa n HIS 544 Ca 0.12 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.32 2rqa n HIS 544 Cb 0.46 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.34 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 -3.42 -3.15 -4.33 -0.41 2.81 -1.26 -4.96 117.12 102.40 2rqa n MET 545 Ca -0.10 0.39 -0.20 0.00 -1.81 0.00 0.00 57.70 55.98 2rqa n MET 545 Cb 0.45 -4.47 -0.16 0.00 -0.71 0.00 0.00 33.22 28.33 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 -6.60 0.90 -0.27 0.03 -0.21 -1.26 -5.12 119.66 107.13 2rqa s GLN 546 Ca 0.00 -0.25 -0.01 0.00 0.02 0.00 0.00 55.36 55.12 2rqa s GLN 546 Cb -0.00 -0.85 0.14 0.00 1.00 0.00 0.00 33.01 33.30 2rqa s GLN 546 CO 0.90 0.07 0.34 -0.06 -2.12 0.00 0.00 175.29 174.41 2rqa s PHE 547 N 0.33 -0.68 0.39 0.91 0.40 -1.26 -5.05 117.98 113.02 2rqa s PHE 547 Ca -0.05 0.24 -0.24 0.00 -0.60 0.00 0.00 56.93 56.28 2rqa s PHE 547 Cb -0.09 -0.25 -0.09 0.00 0.51 0.00 0.00 43.02 43.09 2rqa s PHE 547 CO 0.00 -0.86 1.06 -1.25 0.70 0.00 0.00 175.22 174.87 2rqa s PRO 548 N 2.45 4.18 0.24 0.24 0.04 -1.26 -3.52 135.00 137.37 2rqa s PRO 548 Ca 0.10 1.54 -0.04 0.00 0.04 0.00 0.00 61.00 62.63 2rqa s PRO 548 Cb -0.14 -2.58 0.44 0.00 0.04 0.00 0.00 34.50 32.26 2rqa s PRO 548 CO -0.26 -0.13 1.75 -0.39 0.04 0.00 0.00 177.00 178.00 2rqa h VAL 549 N 2.24 0.71 -0.44 -0.36 -1.51 -1.86 0.68 116.25 115.71 2rqa h VAL 549 Ca -0.48 -0.17 0.13 0.00 -1.23 0.00 0.00 66.70 64.94 2rqa h VAL 549 Cb 1.22 0.17 -0.02 0.00 -2.13 0.00 0.00 31.29 30.52 2rqa h VAL 549 CO 0.62 0.09 0.40 1.05 -1.23 0.00 0.00 177.57 178.50 2rqa h GLU 550 N 0.50 0.00 0.00 5.19 4.11 -1.92 0.63 114.58 123.09 2rqa h GLU 550 Ca 0.40 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.76 2rqa h GLU 550 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2rqa h GLU 550 CO -0.36 0.00 -1.36 0.72 0.07 0.00 0.00 179.01 178.07 2rqa n HIS 551 N -3.95 0.79 -3.35 2.06 8.25 0.21 -4.82 115.22 114.41 2rqa n HIS 551 Ca 0.08 0.25 -0.39 0.00 -0.26 0.00 0.00 57.72 57.40 2rqa n HIS 551 Cb 0.59 -0.94 -0.07 0.00 1.12 0.00 0.00 29.99 30.68 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 -3.19 5.17 0.03 1.59 1.01 0.22 -4.07 120.40 121.16 2rqa s VAL 552 Ca -0.03 0.75 0.04 0.00 0.00 0.00 0.00 61.98 62.75 2rqa s VAL 552 Cb 0.10 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2rqa s VAL 552 CO 0.82 0.22 -0.07 -1.58 0.00 0.00 0.00 175.10 174.49 2rqa s GLN 553 N 1.50 2.48 -0.40 2.72 0.74 -1.14 -0.75 119.66 124.81 2rqa s GLN 553 Ca 0.20 -0.78 -0.24 0.00 0.05 0.00 0.00 55.36 54.58 2rqa s GLN 553 Cb -0.15 -2.47 0.02 0.00 1.10 0.00 0.00 33.01 31.51 2rqa s GLN 553 CO 0.09 0.58 0.85 -0.51 -0.55 0.00 0.00 175.29 175.75 2rqa s LEU 554 N -1.63 4.09 0.00 3.68 1.43 -0.50 -3.15 118.68 122.60 2rqa s LEU 554 Ca 0.19 0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.61 2rqa s LEU 554 Cb -0.11 -3.11 -0.02 0.00 0.03 0.00 0.00 46.19 42.97 2rqa s LEU 554 CO 0.10 -0.87 0.19 0.18 0.23 0.00 0.00 176.35 176.17 2rqa n LEU 555 N 6.74 0.00 -4.24 1.79 4.32 -0.85 0.84 117.00 125.60 2rqa n LEU 555 Ca 0.05 -3.22 -0.40 0.00 -0.02 0.00 0.00 56.01 52.42 2rqa n LEU 555 Cb 0.48 1.25 -0.10 0.00 -1.62 0.00 0.00 43.42 43.43 2rqa n LEU 555 CO 0.58 -0.51 -0.12 0.00 -1.22 0.00 0.00 177.39 176.13 2rqa n ILE 557 N 4.87 -0.13 -0.01 0.00 -5.35 -1.09 0.27 119.36 117.92 2rqa n ILE 557 Ca -0.09 1.34 -0.01 0.00 -0.27 0.00 0.00 62.75 63.71 2rqa n ILE 557 Cb 0.43 -2.20 -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 -0.07 0.00 7.28 4.21 -1.92 -3.41 115.58 121.67 2rqa h ASN 558 Ca 0.71 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.23 2rqa h ASN 558 Cb 2.51 0.02 0.00 0.00 -1.12 0.00 0.00 38.32 39.73 2rqa h ASN 558 CO -0.24 0.37 0.00 0.00 -1.29 0.00 0.00 177.43 176.27 2rqa n MET 560 N -1.95 -0.92 0.00 0.00 2.81 0.78 -4.86 117.12 112.97 2rqa n MET 560 Ca 0.00 0.11 0.03 0.00 -1.81 0.00 0.00 57.70 56.03 2rqa n MET 560 Cb 0.00 -2.95 0.01 0.00 -0.71 0.00 0.00 33.22 29.57 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 -1.66 0.00 -1.21 2.03 0.24 -1.26 -4.85 118.33 111.62 2rqa n VAL 561 Ca -0.03 -0.47 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 2rqa n VAL 561 Cb 0.52 1.09 0.00 0.00 -1.47 0.00 0.00 33.84 33.98 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 -0.06 -2.63 1.02 2.33 0.00 -1.26 -4.97 120.51 114.95 2rqa n ALA 562 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.58 2rqa n ALA 562 Cb 0.13 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.62 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 0.18 0.00 -3.14 0.00 0.24 0.25 -4.92 118.33 110.93 2rqa n VAL 563 Ca 0.00 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 2rqa n VAL 563 Cb 0.00 1.23 0.00 0.00 -1.47 0.00 0.00 33.84 33.60 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 -0.56 3.25 7.63 0.00 -0.08 -4.55 105.19 112.28 2rqa n GLY 564 Ca 0.10 -0.67 -0.26 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 -3.00 1.82 -1.78 1.61 0.09 -1.26 -1.41 115.29 111.36 2rqa s HIS 565 Ca 0.00 -0.37 0.21 0.00 -0.00 0.00 0.00 55.06 54.89 2rqa s HIS 565 Cb 0.00 -1.09 1.16 0.00 -0.00 0.00 0.00 32.58 32.65 2rqa s HIS 565 CO 0.00 0.08 1.64 0.41 -0.00 0.00 0.00 174.74 176.87 2rqa n GLY 566 N 1.92 -0.77 0.33 -2.22 0.00 0.07 -1.77 105.19 102.74 2rqa n GLY 566 Ca -0.17 -0.12 0.03 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.11 2.52 -0.00 1.61 3.41 -1.25 -4.42 113.62 114.37 2rqa n SER 567 Ca 0.13 -2.09 0.03 0.00 -0.26 0.00 0.00 58.87 56.68 2rqa n SER 567 Cb 0.11 -0.15 -0.04 0.00 -0.26 0.00 0.00 64.21 63.87 2rqa n SER 567 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2rqa n ASP 568 N -0.08 1.13 -4.95 4.04 4.64 -0.73 -4.99 116.55 115.61 2rqa n ASP 568 Ca 0.07 -0.48 -0.23 0.00 -1.38 0.00 0.00 54.79 52.76 2rqa n ASP 568 Cb 0.37 1.08 0.04 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 -2.61 3.26 -0.26 -2.67 0.05 -1.19 -3.61 118.68 111.65 2rqa s LEU 569 Ca 0.01 0.24 -0.21 0.00 0.05 0.00 0.00 54.13 54.22 2rqa s LEU 569 Cb 0.05 -3.07 0.07 0.00 -2.05 0.00 0.00 46.19 41.19 2rqa s LEU 569 CO 0.27 -1.12 0.67 -0.13 -0.55 0.00 0.00 176.35 175.48 2rqa s ARG 570 N -4.84 0.75 0.67 1.48 0.52 -0.10 -4.60 118.95 112.82 2rqa s ARG 570 Ca 0.55 1.01 -0.13 0.00 -0.52 0.00 0.00 55.73 56.65 2rqa s ARG 570 Cb -0.10 0.30 0.00 0.00 0.52 0.00 0.00 34.95 35.67 2rqa s ARG 570 CO 0.40 -0.11 1.07 -1.59 0.02 0.00 0.00 175.30 175.09 2rqa s LYS 571 N 0.76 2.94 -0.46 3.54 -2.85 -0.67 -1.88 119.74 121.11 2rqa s LYS 571 Ca -0.03 1.12 -0.05 0.00 -1.00 0.00 0.00 55.97 56.01 2rqa s LYS 571 Cb -0.05 -1.98 0.12 0.00 -2.06 0.00 0.00 37.83 33.86 2rqa s LYS 571 CO -0.05 -1.11 0.29 0.08 0.10 0.00 0.00 175.35 174.65 2rqa s VAL 572 N -2.75 3.68 -0.70 1.79 1.01 -0.89 1.00 120.40 123.54 2rqa s VAL 572 Ca 0.61 -2.07 0.00 0.00 0.00 0.00 0.00 61.98 60.52 2rqa s VAL 572 Cb -0.16 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2rqa s VAL 572 CO 0.48 -0.75 0.00 -1.84 0.00 0.00 0.00 175.10 172.99 2rqa n GLU 573 N 4.57 -1.73 0.00 2.72 0.28 -1.26 0.21 120.64 125.43 2rqa n GLU 573 Ca -0.03 0.39 0.00 0.00 -0.16 0.00 0.00 57.16 57.37 2rqa n GLU 573 Cb 0.41 -4.70 0.00 0.00 1.43 0.00 0.00 31.44 28.58 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 -0.36 3.03 0.00 -1.84 0.00 -1.26 -4.92 105.19 99.84 2rqa n GLY 574 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.33 0.00 -3.80 2.61 -1.04 0.56 -4.74 114.28 106.55 2rqa n THR 575 Ca 0.00 0.95 -0.12 0.00 -2.04 0.00 0.00 64.05 62.84 2rqa n THR 575 Cb 0.00 -1.36 -0.09 0.00 -1.82 0.00 0.00 70.33 67.06 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 -1.70 -0.10 -0.21 -1.42 3.76 -1.25 -4.96 115.29 109.42 2rqa s HIS 576 Ca 0.00 0.10 -0.29 0.00 -0.15 0.00 0.00 55.06 54.72 2rqa s HIS 576 Cb 0.00 0.05 -0.02 0.00 1.11 0.00 0.00 32.58 33.72 2rqa s HIS 576 CO 0.00 -0.37 1.48 -1.01 -0.85 0.00 0.00 174.74 173.99 2rqa s HIS 577 N -1.49 2.35 -0.21 1.40 3.76 -1.26 -2.09 115.29 117.75 2rqa s HIS 577 Ca -0.13 0.66 -0.01 0.00 -0.15 0.00 0.00 55.06 55.42 2rqa s HIS 577 Cb -0.05 -3.88 0.01 0.00 1.11 0.00 0.00 32.58 29.77 2rqa s HIS 577 CO 0.03 -2.54 -0.11 0.14 -0.85 0.00 0.00 174.74 171.41 2rqa s VAL 578 N 4.58 2.73 -0.26 -0.90 -7.23 -0.79 -2.84 120.40 115.69 2rqa s VAL 578 Ca 0.65 -0.82 -0.20 0.00 -1.81 0.00 0.00 61.98 59.80 2rqa s VAL 578 Cb -0.23 -2.26 -0.02 0.00 0.56 0.00 0.00 36.38 34.42 2rqa s VAL 578 CO 0.25 0.40 0.59 0.21 -0.31 0.00 0.00 175.10 176.24 2rqa s ASN 579 N 1.36 6.53 -0.15 4.85 3.04 -1.24 -0.93 114.94 128.40 2rqa s ASN 579 Ca 0.04 0.64 -0.14 0.00 0.04 0.00 0.00 52.86 53.44 2rqa s ASN 579 Cb -0.15 -2.32 -0.05 0.00 -1.54 0.00 0.00 41.25 37.20 2rqa s ASN 579 CO -0.07 -0.35 0.30 -0.69 -3.04 0.00 0.00 177.10 173.25 2rqa s VAL 580 N 2.45 5.29 0.00 -5.21 1.01 -1.24 -4.08 120.40 118.62 2rqa s VAL 580 Ca 0.25 0.58 0.00 0.00 0.00 0.00 0.00 61.98 62.80 2rqa s VAL 580 Cb -0.16 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2rqa s VAL 580 CO 0.09 0.40 0.00 -3.20 0.00 0.00 0.00 175.10 172.39 2rqa n ASN 581 N 3.46 0.00 -0.02 3.32 5.15 -1.26 -4.58 115.26 121.34 2rqa n ASN 581 Ca -0.12 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 53.70 2rqa n ASN 581 Cb 0.52 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.66 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 0.28 0.00 1.20 0.13 -1.97 -3.05 132.00 128.59 2rqa h PRO 582 Ca 0.00 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2rqa h PRO 582 Cb 0.00 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.20 2rqa h PRO 582 CO 0.00 0.97 0.26 -0.91 -0.23 0.00 0.00 178.00 178.08 2rqa h ASN 583 N -0.30 0.00 -0.60 1.44 4.21 -1.97 0.22 115.58 118.58 2rqa h ASN 583 Ca -0.04 0.00 0.02 0.00 1.21 0.00 0.00 56.30 57.49 2rqa h ASN 583 Cb 1.08 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.24 2rqa h ASN 583 CO 0.07 0.00 0.38 0.15 -1.29 0.00 0.00 177.43 176.74 2rqa h PHE 584 N 0.00 0.71 -0.36 1.19 3.57 -1.77 -0.23 116.94 120.05 2rqa h PHE 584 Ca 0.00 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.62 2rqa h PHE 584 Cb 0.51 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2rqa h PHE 584 CO 0.00 0.41 0.42 0.66 -2.23 0.00 0.00 178.31 177.57 2rqa h SER 585 N 0.75 0.00 0.98 0.41 4.64 -1.10 1.22 113.55 120.44 2rqa h SER 585 Ca 0.24 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.47 2rqa h SER 585 Cb -0.01 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2rqa h SER 585 CO -0.09 0.00 -1.07 0.78 -0.87 0.00 0.00 176.83 175.58 2rqa h ASN 586 N 0.00 0.00 -0.22 4.97 2.35 -1.20 -3.27 115.58 118.22 2rqa h ASN 586 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 2rqa h ASN 586 Cb 1.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.37 2rqa h ASN 586 CO -0.00 0.33 0.00 -1.22 -1.65 0.00 0.00 177.43 174.89 2rqa n TYR 587 N -2.87 0.29 -3.49 1.19 4.01 0.41 -4.69 117.16 112.01 2rqa n TYR 587 Ca -0.04 -0.15 -0.10 0.00 -0.16 0.00 0.00 57.90 57.46 2rqa n TYR 587 Cb 0.71 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.71 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 -1.71 -0.40 -0.08 -0.72 -0.85 -0.41 -0.02 117.35 113.15 2rqa s TYR 588 Ca 0.27 0.31 -0.01 0.00 -0.52 0.00 0.00 57.07 57.13 2rqa s TYR 588 Cb 0.14 0.53 0.03 0.00 0.38 0.00 0.00 41.96 43.04 2rqa s TYR 588 CO 0.21 -0.60 -0.03 0.54 -1.52 0.00 0.00 175.55 174.15 2rqa s ASN 589 N -2.37 1.75 0.50 -0.18 2.20 -0.96 -4.63 114.94 111.26 2rqa s ASN 589 Ca 0.03 -0.17 -0.21 0.00 -0.94 0.00 0.00 52.86 51.57 2rqa s ASN 589 Cb -0.01 -0.59 -0.07 0.00 -2.00 0.00 0.00 41.25 38.57 2rqa s ASN 589 CO -0.08 -0.15 1.09 -0.69 -2.94 0.00 0.00 177.10 174.33 2rqa s VAL 590 N 1.76 3.47 0.40 3.54 1.01 -1.26 -3.63 120.40 125.69 2rqa s VAL 590 Ca 0.03 0.95 -0.27 0.00 0.00 0.00 0.00 61.98 62.70 2rqa s VAL 590 Cb -0.13 -3.41 -0.09 0.00 0.00 0.00 0.00 36.38 32.76 2rqa s VAL 590 CO -0.06 -0.16 1.34 -0.55 0.00 0.00 0.00 175.10 175.67 2rqa s SER 591 N -1.80 6.32 0.15 3.32 0.15 -1.13 -4.89 113.70 115.83 2rqa s SER 591 Ca 0.68 2.75 -0.20 0.00 0.70 0.00 0.00 55.95 59.88 2rqa s SER 591 Cb -0.21 -2.65 0.05 0.00 -1.71 0.00 0.00 66.02 61.50 2rqa s SER 591 CO 0.25 -0.85 1.21 -2.11 1.20 0.00 0.00 173.24 172.93 2rqa n ARG 592 N 0.23 -0.27 -1.69 5.44 1.85 -1.26 -4.35 116.66 116.60 2rqa n ARG 592 Ca 0.03 1.19 -0.38 0.00 -1.00 0.00 0.00 57.85 57.69 2rqa n ARG 592 Cb 0.42 -1.76 0.05 0.00 -1.05 0.00 0.00 32.46 30.13 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 -5.05 1.89 0.00 2.89 8.00 -1.26 -5.00 116.55 118.02 2rqa n ASP 593 Ca 0.04 0.89 0.00 0.00 0.71 0.00 0.00 54.79 56.43 2rqa n ASP 593 Cb 0.25 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 39.85 2rqa n ASP 593 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2rqa n PRO 594 N -1.20 0.00 -4.05 -0.24 -0.04 -1.26 -4.88 135.00 123.32 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 0.46 -0.14 -0.10 0.00 -0.04 0.00 0.00 33.50 33.67 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 4.58 -0.47 0.52 1.01 -1.25 -3.74 120.40 121.05 2rqa s VAL 595 Ca 0.00 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 61.92 2rqa s VAL 595 Cb 0.00 -3.06 0.17 0.00 0.00 0.00 0.00 36.38 33.49 2rqa s VAL 595 CO 0.00 0.45 0.38 0.52 0.00 0.00 0.00 175.10 176.45 2rqa n VAL 596 N 3.68 -0.65 -4.06 2.92 0.31 -1.26 -5.09 118.33 114.19 2rqa n VAL 596 Ca -0.17 -3.72 -0.09 0.00 -0.01 0.00 0.00 64.34 60.35 2rqa n VAL 596 Cb 0.52 -1.76 -0.09 0.00 -0.91 0.00 0.00 33.84 31.60 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 -0.29 0.13 -0.08 2.52 1.01 -1.26 -5.02 121.20 118.21 2rqa s ILE 597 Ca 0.32 -1.68 -0.05 0.00 0.00 0.00 0.00 60.65 59.23 2rqa s ILE 597 Cb 0.03 -1.78 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 2rqa s ILE 597 CO -0.19 -0.59 -0.11 0.59 0.00 0.00 0.00 174.94 174.65 2rqa n ASN 598 N -0.06 0.98 -4.78 3.58 3.02 -1.26 -4.92 115.26 111.81 2rqa n ASN 598 Ca -0.09 0.42 -0.39 0.00 -0.03 0.00 0.00 54.58 54.49 2rqa n ASN 598 Cb 0.63 -0.69 -0.06 0.00 -0.61 0.00 0.00 39.78 39.05 2rqa n ASN 598 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2rqa s LYS 599 N -1.71 4.38 0.14 3.52 2.36 -1.26 -5.07 119.74 122.11 2rqa s LYS 599 Ca -0.09 0.92 0.03 0.00 -2.55 0.00 0.00 55.97 54.28 2rqa s LYS 599 Cb 0.01 -3.28 -0.04 0.00 -1.05 0.00 0.00 37.83 33.47 2rqa s LYS 599 CO 0.13 0.52 0.20 0.08 1.55 0.00 0.00 175.35 177.83 2rqa s VAL 600 N -0.82 4.91 0.37 4.02 1.01 -1.26 -4.99 120.40 123.64 2rqa s VAL 600 Ca 0.33 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.55 2rqa s VAL 600 Cb -0.21 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 2rqa s VAL 600 CO 0.22 -0.06 0.37 -0.36 0.00 0.00 0.00 175.10 175.27 2rqa s PHE 601 N -1.69 2.85 -0.04 5.22 0.40 -1.26 -5.07 117.98 118.38 2rqa s PHE 601 Ca 0.33 -0.37 -0.08 0.00 -0.60 0.00 0.00 56.93 56.20 2rqa s PHE 601 Cb -0.11 -2.02 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 2rqa s PHE 601 CO 0.26 -0.02 -0.15 1.17 0.70 0.00 0.00 175.22 177.18 2rqa n LYS 602 N -1.52 0.23 -0.50 0.44 3.00 -1.26 -4.53 118.16 114.03 2rqa n LYS 602 Ca 0.01 0.09 0.43 0.00 -0.00 0.00 0.00 58.31 58.85 2rqa n LYS 602 Cb 0.60 -0.86 0.72 0.00 0.00 0.00 0.00 35.03 35.49 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 -0.44 0.00 -5.13 3.14 3.32 -1.99 -3.41 116.42 111.91 2rqa h ASP 603 Ca 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 2rqa h ASP 603 Cb 0.44 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 2rqa h ASP 603 CO 0.00 0.00 0.17 -1.66 -1.72 0.00 0.00 179.24 176.03 2rqa s TRP 604 N -4.77 0.37 0.15 4.55 -2.14 -1.26 -4.94 118.94 110.90 2rqa s TRP 604 Ca -0.04 -0.95 0.11 0.00 2.66 0.00 0.00 56.10 57.87 2rqa s TRP 604 Cb 0.23 0.63 -0.04 0.00 -3.10 0.00 0.00 33.47 31.19 2rqa s TRP 604 CO 0.77 -1.50 -0.24 -1.59 -2.66 0.00 0.00 176.95 171.73 2rqa s LYS 605 N -2.37 1.39 0.33 3.25 -2.85 -1.00 -4.08 119.74 114.42 2rqa s LYS 605 Ca 0.19 -1.39 -0.27 0.00 -1.00 0.00 0.00 55.97 53.50 2rqa s LYS 605 Cb -0.04 -1.77 -0.09 0.00 -2.06 0.00 0.00 37.83 33.87 2rqa s LYS 605 CO 0.14 0.40 1.07 -1.25 0.10 0.00 0.00 175.35 175.81 2rqa s PRO 606 N -2.31 4.45 0.00 1.78 0.04 -1.26 -2.55 135.00 135.15 2rqa s PRO 606 Ca 0.16 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.86 2rqa s PRO 606 Cb -0.09 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.53 2rqa s PRO 606 CO 0.07 0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.60 2rqa n GLY 607 N 0.86 0.82 3.01 0.56 0.00 0.49 -4.78 105.19 106.14 2rqa n GLY 607 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 0.31 0.16 -0.02 0.00 -1.22 -3.76 107.32 102.79 2rqa s GLY 608 Ca 0.00 -0.73 -0.33 0.00 0.00 0.00 0.00 44.72 43.66 2rqa s GLY 608 CO 0.00 -0.80 1.62 -0.62 0.00 0.00 0.00 173.10 173.30 2rqa n VAL 609 N 1.30 0.02 -4.01 1.40 0.31 -1.26 0.13 118.33 116.22 2rqa n VAL 609 Ca -0.22 -0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.76 2rqa n VAL 609 Cb 0.56 -1.64 -0.06 0.00 -0.91 0.00 0.00 33.84 31.78 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 1.05 5.10 -0.09 2.52 1.01 -1.02 -2.83 121.20 126.95 2rqa s ILE 610 Ca 0.78 -0.14 -0.02 0.00 0.00 0.00 0.00 60.65 61.27 2rqa s ILE 610 Cb -0.64 -3.29 0.04 0.00 0.01 0.00 0.00 42.46 38.57 2rqa s ILE 610 CO 0.37 0.45 0.03 -0.44 0.00 0.00 0.00 174.94 175.35 2rqa s SER 611 N -1.48 1.71 -0.27 3.58 0.01 -1.24 -2.07 113.70 113.93 2rqa s SER 611 Ca 0.21 -0.18 -0.39 0.00 1.31 0.00 0.00 55.95 56.90 2rqa s SER 611 Cb -0.12 -0.37 -0.14 0.00 0.21 0.00 0.00 66.02 65.59 2rqa s SER 611 CO 0.11 -0.23 1.85 0.00 0.41 0.00 0.00 173.24 175.37 2rqa h ARG 613 N 8.38 0.00 -0.62 0.00 2.43 -0.71 1.51 114.38 125.35 2rqa h ARG 613 Ca -0.43 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 58.67 2rqa h ARG 613 Cb 1.32 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.84 2rqa h ARG 613 CO 0.97 0.32 0.08 -0.91 -1.51 0.00 0.00 179.97 178.92 2rqa h ASN 614 N 0.00 0.99 0.00 -3.80 2.35 -1.87 -3.42 115.58 109.82 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 0.64 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.75 2rqa h ASN 614 CO 0.04 0.99 0.00 0.00 -1.65 0.00 0.00 177.43 176.82 2rqa n GLY 616 N 3.08 0.52 3.46 0.00 0.00 0.51 -4.91 105.19 107.85 2rqa n GLY 616 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.54 1.61 4.07 -1.26 -3.79 120.64 119.90 2rqa n GLU 617 Ca 0.00 0.02 -0.48 0.00 -0.06 0.00 0.00 57.16 56.63 2rqa n GLU 617 Cb 0.00 -1.77 -0.05 0.00 -0.06 0.00 0.00 31.44 29.56 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 7.36 0.31 0.00 6.31 0.31 -1.26 -3.48 118.33 127.89 2rqa n VAL 618 Ca 0.59 -0.28 -0.13 0.00 -0.01 0.00 0.00 64.34 64.52 2rqa n VAL 618 Cb 0.08 -1.94 -0.10 0.00 -0.91 0.00 0.00 33.84 30.98 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 12.40 -0.06 0.00 3.52 6.55 -1.70 -3.49 115.95 133.17 2rqa h TRP 619 Ca -0.36 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.48 2rqa h TRP 619 Cb 1.29 0.02 0.00 0.00 -0.86 0.00 0.00 29.16 29.61 2rqa h TRP 619 CO 0.93 0.46 0.00 0.41 -1.05 0.00 0.00 178.44 179.19 2rqa n GLY 620 N 0.38 -1.70 3.83 1.49 0.00 -1.23 -3.93 105.19 104.02 2rqa n GLY 620 Ca -0.09 0.77 -0.06 0.00 0.00 0.00 0.00 46.02 46.65 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 -0.22 0.38 0.99 2.34 -1.19 -2.42 118.68 118.55 2rqa s LEU 621 Ca 0.00 -0.56 0.02 0.00 0.06 0.00 0.00 54.13 53.65 2rqa s LEU 621 Cb 0.00 2.56 -0.02 0.00 -0.56 0.00 0.00 46.19 48.17 2rqa s LEU 621 CO 0.00 -1.22 0.56 -1.58 -1.06 0.00 0.00 176.35 173.05 2rqa s GLN 622 N -3.67 3.23 0.01 1.48 0.74 0.35 -0.41 119.66 121.39 2rqa s GLN 622 Ca 0.12 -0.59 -0.10 0.00 0.05 0.00 0.00 55.36 54.83 2rqa s GLN 622 Cb -0.05 -2.68 0.01 0.00 1.10 0.00 0.00 33.01 31.40 2rqa s GLN 622 CO 0.06 -0.01 0.21 -1.64 -0.55 0.00 0.00 175.29 173.35 2rqa s MET 623 N -4.35 0.61 -0.08 1.67 -1.94 -0.00 0.19 119.30 115.40 2rqa s MET 623 Ca 0.44 -0.40 0.05 0.00 -1.71 0.00 0.00 55.69 54.06 2rqa s MET 623 Cb -0.10 0.26 -0.00 0.00 2.01 0.00 0.00 34.83 37.00 2rqa s MET 623 CO 0.35 -0.17 -0.23 0.42 -0.01 0.00 0.00 175.02 175.38 2rqa s ILE 624 N -1.74 1.96 -0.28 2.53 1.09 -1.06 -0.21 121.20 123.50 2rqa s ILE 624 Ca -0.11 -0.99 -0.04 0.00 -1.10 0.00 0.00 60.65 58.41 2rqa s ILE 624 Cb -0.05 -1.68 0.10 0.00 -1.06 0.00 0.00 42.46 39.76 2rqa s ILE 624 CO 0.01 0.54 0.12 -0.47 -0.10 0.00 0.00 174.94 175.04 2rqa s TYR 625 N 0.14 0.55 -1.25 3.97 5.04 -0.93 -2.36 117.35 122.51 2rqa s TYR 625 Ca -0.12 -0.97 0.00 0.00 -2.44 0.00 0.00 57.07 53.54 2rqa s TYR 625 Cb -0.16 -1.02 0.00 0.00 0.35 0.00 0.00 41.96 41.13 2rqa s TYR 625 CO 0.06 -0.81 0.00 1.63 -1.34 0.00 0.00 175.55 175.09 2rqa n LYS 626 N 5.18 -0.88 -1.74 4.97 4.01 -1.26 -2.47 118.16 125.98 2rqa n LYS 626 Ca -0.06 0.86 0.00 0.00 -0.51 0.00 0.00 58.31 58.60 2rqa n LYS 626 Cb 0.43 -4.91 0.00 0.00 -0.51 0.00 0.00 35.03 30.03 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 -0.06 -1.37 -3.95 4.39 3.41 -1.26 -5.07 113.62 109.71 2rqa n SER 627 Ca -0.13 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.19 2rqa n SER 627 Cb 0.45 -0.35 -0.16 0.00 -0.26 0.00 0.00 64.21 63.89 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 -2.68 1.35 -0.65 -3.33 1.01 -1.03 -5.07 120.40 110.01 2rqa s VAL 628 Ca 0.00 -0.70 -0.27 0.00 0.00 0.00 0.00 61.98 61.02 2rqa s VAL 628 Cb 0.00 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 2rqa s VAL 628 CO 0.00 0.24 1.75 -0.54 0.00 0.00 0.00 175.10 176.56 2rqa s LYS 629 N 1.54 2.73 -0.25 2.72 -0.14 -1.26 -2.19 119.74 122.90 2rqa s LYS 629 Ca 0.02 0.42 0.02 0.00 -1.36 0.00 0.00 55.97 55.07 2rqa s LYS 629 Cb -0.15 -4.37 0.06 0.00 -1.68 0.00 0.00 37.83 31.68 2rqa s LYS 629 CO -0.09 -2.64 -0.11 -0.51 -0.76 0.00 0.00 175.35 171.24 2rqa s LEU 630 N 8.48 3.15 0.83 3.17 1.43 0.71 -4.75 118.68 131.70 2rqa s LEU 630 Ca 0.61 -1.27 -0.12 0.00 -1.03 0.00 0.00 54.13 52.32 2rqa s LEU 630 Cb -0.12 -1.48 0.09 0.00 0.03 0.00 0.00 46.19 44.71 2rqa s LEU 630 CO 0.19 -0.17 1.11 -2.16 0.23 0.00 0.00 176.35 175.54 2rqa s PRO 631 N 1.17 1.82 -0.41 1.29 0.04 -1.26 -0.82 135.00 136.83 2rqa s PRO 631 Ca -0.07 0.54 0.02 0.00 0.04 0.00 0.00 61.00 61.53 2rqa s PRO 631 Cb -0.19 -1.90 0.12 0.00 0.04 0.00 0.00 34.50 32.58 2rqa s PRO 631 CO -0.06 -1.78 0.19 0.08 0.04 0.00 0.00 177.00 175.47 2rqa s VAL 632 N -3.19 1.41 0.45 -0.36 1.01 0.45 -3.66 120.40 116.51 2rqa s VAL 632 Ca 0.62 -2.31 0.08 0.00 0.00 0.00 0.00 61.98 60.37 2rqa s VAL 632 Cb -0.14 -2.01 0.03 0.00 0.00 0.00 0.00 36.38 34.25 2rqa s VAL 632 CO 0.54 -0.82 0.62 -0.76 0.00 0.00 0.00 175.10 174.68 2rqa s LEU 633 N 0.66 3.54 0.00 3.92 2.01 -1.13 -3.20 118.68 124.48 2rqa s LEU 633 Ca 0.15 -0.49 0.05 0.00 0.01 0.00 0.00 54.13 53.86 2rqa s LEU 633 Cb -0.23 -2.47 0.05 0.00 0.01 0.00 0.00 46.19 43.56 2rqa s LEU 633 CO -0.06 -0.89 0.43 0.29 1.01 0.00 0.00 176.35 177.14 2rqa n LYS 634 N -1.94 0.80 -0.00 1.70 5.02 -1.25 -4.46 118.16 118.02 2rqa n LYS 634 Ca 0.09 -2.52 0.09 0.00 -2.02 0.00 0.00 58.31 53.95 2rqa n LYS 634 Cb 0.60 0.09 -0.12 0.00 -0.02 0.00 0.00 35.03 35.57 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 -1.68 0.00 1.22 -0.18 3.14 -1.26 -3.67 118.33 115.90 2rqa n VAL 635 Ca 0.04 -0.24 0.13 0.00 -2.96 0.00 0.00 64.34 61.31 2rqa n VAL 635 Cb 0.47 0.55 0.36 0.00 -1.06 0.00 0.00 33.84 34.17 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 -1.77 0.74 -0.00 1.45 1.85 -1.04 -3.68 116.66 114.21 2rqa n ARG 636 Ca 0.00 -0.44 0.04 0.00 -1.00 0.00 0.00 57.85 56.45 2rqa n ARG 636 Cb 0.38 -1.49 -0.05 0.00 -1.05 0.00 0.00 32.46 30.24 2rqa n ARG 636 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2rqa n SER 637 N -0.75 1.47 -4.53 2.89 2.88 -1.26 -4.87 113.62 109.46 2rqa n SER 637 Ca 0.11 -0.41 -0.34 0.00 -1.33 0.00 0.00 58.87 56.90 2rqa n SER 637 Cb 0.35 1.15 -0.12 0.00 -0.75 0.00 0.00 64.21 64.84 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 -2.08 3.56 -0.01 -1.46 -1.94 -1.24 -2.69 119.30 113.43 2rqa s MET 638 Ca 0.01 -0.50 -0.09 0.00 -1.71 0.00 0.00 55.69 53.40 2rqa s MET 638 Cb 0.06 -2.90 -0.05 0.00 2.01 0.00 0.00 34.83 33.95 2rqa s MET 638 CO 0.33 0.32 0.29 -1.17 -0.01 0.00 0.00 175.02 174.78 2rqa s LEU 639 N 0.14 4.40 -0.59 -0.03 2.96 0.78 -4.70 118.68 121.64 2rqa s LEU 639 Ca -0.01 0.66 -0.05 0.00 -0.22 0.00 0.00 54.13 54.51 2rqa s LEU 639 Cb -0.14 -2.56 0.15 0.00 0.50 0.00 0.00 46.19 44.15 2rqa s LEU 639 CO 0.03 0.29 0.43 -0.76 -1.32 0.00 0.00 176.35 175.02 2rqa s LEU 640 N -1.47 5.49 -0.18 -0.68 2.01 -0.96 -2.02 118.68 120.88 2rqa s LEU 640 Ca 0.25 -2.56 -0.29 0.00 0.01 0.00 0.00 54.13 51.53 2rqa s LEU 640 Cb -0.14 -1.92 -0.01 0.00 0.01 0.00 0.00 46.19 44.13 2rqa s LEU 640 CO 0.13 -0.47 1.31 -1.61 1.01 0.00 0.00 176.35 176.72 2rqa s GLU 641 N 0.37 4.17 0.17 1.70 2.02 -1.19 -2.29 118.70 123.66 2rqa s GLU 641 Ca 0.14 1.64 0.06 0.00 0.02 0.00 0.00 54.97 56.83 2rqa s GLU 641 Cb -0.20 -3.80 -0.04 0.00 0.10 0.00 0.00 34.13 30.18 2rqa s GLU 641 CO -0.04 -0.79 -0.12 0.95 0.02 0.00 0.00 175.26 175.28 2rqa s THR 642 N 3.71 1.42 -2.00 3.63 -4.23 -1.26 -2.87 115.64 114.04 2rqa s THR 642 Ca 0.57 -2.10 0.18 0.00 -1.18 0.00 0.00 61.69 59.16 2rqa s THR 642 Cb -0.22 -1.91 0.52 0.00 1.34 0.00 0.00 72.50 72.23 2rqa s THR 642 CO 0.17 -0.66 1.55 -0.81 -0.54 0.00 0.00 174.62 174.33 2rqa n PRO 643 N -0.23 0.75 0.00 3.99 -0.04 -1.26 -1.95 135.00 136.26 2rqa n PRO 643 Ca -0.10 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.41 2rqa n PRO 643 Cb 0.60 -1.38 -0.02 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 -0.88 2.76 0.00 0.54 6.02 -1.26 -5.07 117.38 119.49 2rqa n GLN 644 Ca 0.14 -0.37 0.00 0.00 -0.01 0.00 0.00 57.00 56.76 2rqa n GLN 644 Cb 0.06 -1.03 0.00 0.00 1.02 0.00 0.00 30.24 30.29 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 1.03 4.00 3.63 1.08 0.00 -0.82 -5.09 105.19 109.01 2rqa n GLY 645 Ca 0.03 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.59 0.70 -3.87 1.61 1.74 -1.26 -4.11 116.66 110.88 2rqa n ARG 646 Ca 0.00 0.29 -0.17 0.00 -0.77 0.00 0.00 57.85 57.20 2rqa n ARG 646 Cb 0.00 -2.23 -0.16 0.00 -1.02 0.00 0.00 32.46 29.04 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 -1.66 0.13 -0.42 0.55 1.01 -0.97 -4.95 121.20 114.89 2rqa s ILE 647 Ca 0.76 0.14 0.04 0.00 0.00 0.00 0.00 60.65 61.58 2rqa s ILE 647 Cb -0.37 -0.25 0.11 0.00 0.01 0.00 0.00 42.46 41.96 2rqa s ILE 647 CO 0.48 0.15 0.15 -1.58 0.00 0.00 0.00 174.94 174.13 2rqa s GLN 648 N 1.21 1.63 0.39 2.79 0.74 -1.26 -2.26 119.66 122.90 2rqa s GLN 648 Ca -0.07 -2.15 -0.01 0.00 0.05 0.00 0.00 55.36 53.19 2rqa s GLN 648 Cb -0.13 -3.14 -0.03 0.00 1.10 0.00 0.00 33.01 30.80 2rqa s GLN 648 CO -0.02 -1.02 0.61 0.00 -0.55 0.00 0.00 175.29 174.31 2rqa s ALA 649 N 0.43 3.65 -0.17 1.58 0.00 -1.25 -5.01 121.76 120.98 2rqa s ALA 649 Ca 0.14 -0.86 0.18 0.00 0.00 0.00 0.00 51.96 51.42 2rqa s ALA 649 Cb -0.22 -2.20 -0.26 0.00 0.00 0.00 0.00 23.12 20.44 2rqa s ALA 649 CO -0.05 -0.14 0.15 1.63 0.00 0.00 0.00 175.76 177.35 2rqa n LYS 650 N -1.92 0.68 -4.59 0.00 4.76 -1.26 -2.50 118.16 113.33 2rqa n LYS 650 Ca -0.03 -0.03 -0.25 0.00 -2.87 0.00 0.00 58.31 55.14 2rqa n LYS 650 Cb 0.56 -1.53 -0.14 0.00 -1.84 0.00 0.00 35.03 32.08 2rqa n LYS 650 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2rqa s LYS 651 N -2.64 1.31 0.11 1.97 -0.14 -1.26 -3.96 119.74 115.13 2rqa s LYS 651 Ca -0.10 -0.91 0.16 0.00 -1.36 0.00 0.00 55.97 53.76 2rqa s LYS 651 Cb 0.07 -1.41 0.69 0.00 -1.68 0.00 0.00 37.83 35.50 2rqa s LYS 651 CO 0.84 0.36 1.48 0.91 -0.76 0.00 0.00 175.35 178.18 2rqa n TRP 652 N 1.86 0.32 0.32 3.18 7.02 -1.26 -1.49 117.44 127.39 2rqa n TRP 652 Ca -0.17 0.14 0.05 0.00 -1.02 0.00 0.00 57.50 56.49 2rqa n TRP 652 Cb 0.54 -0.72 0.20 0.00 -2.42 0.00 0.00 31.31 28.91 2rqa n TRP 652 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2rqa n SER 653 N -1.80 0.01 -0.00 -0.99 7.64 -1.26 -1.39 113.62 115.82 2rqa n SER 653 Ca 0.02 0.50 0.03 0.00 1.01 0.00 0.00 58.87 60.43 2rqa n SER 653 Cb 0.15 -0.50 -0.04 0.00 -1.01 0.00 0.00 64.21 62.80 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 -1.51 2.89 -1.61 1.43 5.12 -0.56 -5.03 116.66 117.39 2rqa n ARG 654 Ca 0.02 -0.03 -0.63 0.00 -1.93 0.00 0.00 57.85 55.29 2rqa n ARG 654 Cb 0.11 -0.95 -0.09 0.00 -1.16 0.00 0.00 32.46 30.38 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 -1.39 0.00 -0.04 1.55 0.31 -0.49 -4.85 118.33 113.41 2rqa n VAL 655 Ca 0.00 -0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 2rqa n VAL 655 Cb 0.12 -0.24 -0.11 0.00 -0.91 0.00 0.00 33.84 32.70 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 3.93 0.02 -7.31 5.55 0.13 -1.91 -3.46 132.00 128.96 2rqa h PRO 656 Ca -0.48 -0.02 -0.51 0.00 -0.87 0.00 0.00 66.00 64.12 2rqa h PRO 656 Cb 1.40 0.01 0.15 0.00 0.13 0.00 0.00 31.00 32.68 2rqa h PRO 656 CO 0.80 0.77 0.29 -0.59 -0.23 0.00 0.00 178.00 179.03 2rqa s PHE 657 N -3.21 2.36 0.27 1.56 -0.71 -1.23 -4.59 117.98 112.42 2rqa s PHE 657 Ca -0.17 1.55 -0.13 0.00 -1.04 0.00 0.00 56.93 57.15 2rqa s PHE 657 Cb -0.01 -3.11 -0.08 0.00 -1.21 0.00 0.00 43.02 38.61 2rqa s PHE 657 CO 0.69 -2.08 0.64 -1.12 -1.34 0.00 0.00 175.22 172.01 2rqa s SER 658 N -3.26 6.71 -0.33 1.98 0.01 -1.26 -4.98 113.70 112.58 2rqa s SER 658 Ca 0.62 1.10 -0.01 0.00 1.31 0.00 0.00 55.95 58.97 2rqa s SER 658 Cb -0.18 -2.30 0.11 0.00 0.21 0.00 0.00 66.02 63.86 2rqa s SER 658 CO 0.57 -0.12 0.15 -0.69 0.41 0.00 0.00 173.24 173.56 2rqa s VAL 659 N -1.86 0.47 0.43 3.43 1.01 -1.26 -4.78 120.40 117.84 2rqa s VAL 659 Ca 0.50 -1.38 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 2rqa s VAL 659 Cb -0.11 -1.36 -0.09 0.00 0.00 0.00 0.00 36.38 34.82 2rqa s VAL 659 CO 0.19 -0.78 1.05 -2.16 0.00 0.00 0.00 175.10 173.40 2rqa s PRO 660 N 1.53 4.02 0.67 2.72 0.04 -1.26 -4.29 135.00 138.42 2rqa s PRO 660 Ca 0.12 1.46 -0.17 0.00 0.04 0.00 0.00 61.00 62.45 2rqa s PRO 660 Cb -0.19 -2.37 -0.01 0.00 0.04 0.00 0.00 34.50 31.96 2rqa s PRO 660 CO -0.21 -0.26 1.05 -0.40 0.04 0.00 0.00 177.00 177.22 2rqa n ASP 661 N -0.41 0.98 -4.66 6.66 5.75 -1.26 -1.67 116.55 121.94 2rqa n ASP 661 Ca 0.07 0.75 -0.52 0.00 -0.01 0.00 0.00 54.79 55.08 2rqa n ASP 661 Cb 0.51 -1.44 -0.06 0.00 -1.03 0.00 0.00 41.12 39.10 2rqa n ASP 661 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 2rqa n PHE 662 N -2.13 2.13 -2.28 2.11 7.35 0.28 -4.70 117.46 120.21 2rqa n PHE 662 Ca 0.14 0.21 -0.34 0.00 -0.76 0.00 0.00 57.45 56.70 2rqa n PHE 662 Cb 0.48 -2.58 -0.04 0.00 0.35 0.00 0.00 39.48 37.70 2rqa n PHE 662 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2rqa s ASP 663 N 4.49 5.78 0.42 -2.13 1.01 -1.26 -4.71 116.67 120.27 2rqa s ASP 663 Ca 0.97 -1.93 0.11 0.00 0.71 0.00 0.00 52.55 52.42 2rqa s ASP 663 Cb -0.84 -2.58 0.90 0.00 1.01 0.00 0.00 42.92 41.41 2rqa s ASP 663 CO 0.56 -2.28 1.98 0.15 0.21 0.00 0.00 175.17 175.79 2rqa h PHE 664 N 8.95 0.18 -0.51 4.23 3.57 -1.98 0.24 116.94 131.62 2rqa h PHE 664 Ca 0.30 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.72 2rqa h PHE 664 Cb 0.92 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 2rqa h PHE 664 CO 1.30 0.27 0.05 -0.07 -2.23 0.00 0.00 178.31 177.63 2rqa h LEU 665 N 0.18 0.79 0.01 0.59 3.38 -1.97 0.19 115.31 118.48 2rqa h LEU 665 Ca 0.04 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2rqa h LEU 665 Cb 0.27 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2rqa h LEU 665 CO 0.01 0.83 -0.01 -0.61 0.09 0.00 0.00 178.44 178.75 2rqa h GLN 666 N 0.78 -0.01 -0.79 1.13 4.15 -1.71 -1.75 115.11 116.91 2rqa h GLN 666 Ca 0.16 0.00 0.19 0.00 0.77 0.00 0.00 58.65 59.77 2rqa h GLN 666 Cb 0.40 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 27.97 2rqa h GLN 666 CO 0.01 -0.01 0.18 0.45 -1.93 0.00 0.00 178.83 177.53 2rqa h HIS 667 N -0.90 0.26 -0.29 3.99 3.86 -0.62 1.32 115.15 122.77 2rqa h HIS 667 Ca -0.00 0.05 -0.09 0.00 -1.16 0.00 0.00 60.37 59.16 2rqa h HIS 667 Cb 0.01 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 2rqa h HIS 667 CO 0.00 -0.15 -0.21 0.00 0.86 0.00 0.00 177.93 178.43 2rqa n ALA 669 N -2.49 1.90 0.21 0.00 0.00 0.38 -0.88 120.51 119.64 2rqa n ALA 669 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.44 2rqa n ALA 669 Cb 0.39 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.76 1.01 -0.01 0.00 1.02 0.26 -4.49 120.64 116.67 2rqa n GLU 670 Ca 0.04 -0.62 0.07 0.00 -0.02 0.00 0.00 57.16 56.63 2rqa n GLU 670 Cb 0.26 -1.01 -0.11 0.00 -0.02 0.00 0.00 31.44 30.56 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 -0.03 1.63 -3.44 1.62 5.03 0.34 -5.00 115.26 115.41 2rqa n ASN 671 Ca 0.02 -0.08 -0.11 0.00 0.87 0.00 0.00 54.58 55.28 2rqa n ASN 671 Cb 0.11 1.59 0.05 0.00 -1.02 0.00 0.00 39.78 40.51 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 -1.93 0.00 0.00 3.41 4.77 -0.06 -5.03 117.00 118.16 2rqa n LEU 672 Ca -0.02 -1.21 0.00 0.00 -0.03 0.00 0.00 56.01 54.75 2rqa n LEU 672 Cb 0.36 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2rqa n LEU 672 CO 0.30 -0.70 0.43 -1.20 -1.33 0.00 0.00 177.39 174.89 2rqa n SER 673 N -2.82 1.61 0.18 -1.43 7.64 -1.26 -4.64 113.62 112.90 2rqa n SER 673 Ca 0.09 -1.76 0.13 0.00 1.01 0.00 0.00 58.87 58.34 2rqa n SER 673 Cb 0.32 0.00 0.65 0.00 -1.01 0.00 0.00 64.21 64.17 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 -1.93 -2.89 116.42 121.61 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 0.51 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2rqa h ASP 674 CO 0.00 0.00 -0.28 -0.07 -2.88 0.00 0.00 179.24 176.01 2rqa h LEU 675 N 0.00 0.00 -7.79 2.28 -0.00 -1.85 -3.51 115.31 104.44 2rqa h LEU 675 Ca 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 57.88 58.09 2rqa h LEU 675 Cb 0.11 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.71 2rqa h LEU 675 CO 0.00 0.54 0.64 -0.94 -0.00 0.00 0.00 178.44 178.68 2rqa s SER 676 N -5.21 -0.04 -0.07 -0.43 1.04 -1.09 -5.07 113.70 102.84 2rqa s SER 676 Ca -0.08 -0.48 0.01 0.00 0.48 0.00 0.00 55.95 55.87 2rqa s SER 676 Cb 0.01 0.41 -0.05 0.00 0.10 0.00 0.00 66.02 66.49 2rqa s SER 676 CO 0.12 -0.79 -0.05 0.18 0.98 0.00 0.00 173.24 173.67 2rqa n LEU 677 N -0.65 2.78 0.00 2.42 7.99 -1.26 -4.64 117.00 123.65 2rqa n LEU 677 Ca -0.04 -0.03 0.00 0.00 -0.01 0.00 0.00 56.01 55.93 2rqa n LEU 677 Cb 0.60 -0.21 0.00 0.00 -0.11 0.00 0.00 43.42 43.70 2rqa n LEU 677 CO 0.17 0.58 0.15 -0.67 -1.51 0.00 0.00 177.39 176.11