#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 -1.49 -0.45 1.61 -0.04 -1.26 -4.98 135.00 128.39 2rqa n PRO 543 Ca 0.00 -1.10 0.08 0.00 -0.04 0.00 0.00 63.50 62.44 2rqa n PRO 543 Cb 0.00 -0.87 0.27 0.00 -0.04 0.00 0.00 33.50 32.86 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 -3.46 1.05 -4.30 0.54 8.25 -1.26 -4.96 115.22 111.09 2rqa n HIS 544 Ca 0.09 -0.68 -0.34 0.00 -0.26 0.00 0.00 57.72 56.53 2rqa n HIS 544 Cb 0.34 -0.23 -0.07 0.00 1.12 0.00 0.00 29.99 31.15 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 0.34 -1.65 -4.53 -0.41 2.81 -1.26 -4.92 117.12 107.50 2rqa n MET 545 Ca 0.20 0.20 -0.33 0.00 -1.81 0.00 0.00 57.70 55.97 2rqa n MET 545 Cb 0.78 -4.26 -0.11 0.00 -0.71 0.00 0.00 33.22 28.93 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 -7.13 2.61 -0.28 0.03 -2.07 -1.26 -5.10 119.66 106.46 2rqa s GLN 546 Ca 0.32 -0.67 0.00 0.00 -1.82 0.00 0.00 55.36 53.19 2rqa s GLN 546 Cb -0.18 -2.52 0.14 0.00 -1.09 0.00 0.00 33.01 29.36 2rqa s GLN 546 CO 0.98 0.62 0.35 -0.06 -1.32 0.00 0.00 175.29 175.86 2rqa s PHE 547 N -0.93 -0.73 0.31 9.60 0.40 -1.26 -4.98 117.98 120.38 2rqa s PHE 547 Ca 0.15 0.18 -0.28 0.00 -0.60 0.00 0.00 56.93 56.38 2rqa s PHE 547 Cb -0.11 -0.27 -0.09 0.00 0.51 0.00 0.00 43.02 43.06 2rqa s PHE 547 CO 0.05 -0.91 1.07 -1.25 0.70 0.00 0.00 175.22 174.88 2rqa s PRO 548 N 2.46 4.52 0.24 0.24 0.04 -1.26 -3.87 135.00 137.37 2rqa s PRO 548 Ca 0.10 1.70 -0.06 0.00 0.04 0.00 0.00 61.00 62.78 2rqa s PRO 548 Cb -0.14 -3.02 0.43 0.00 0.04 0.00 0.00 34.50 31.82 2rqa s PRO 548 CO -0.29 0.14 1.70 -0.39 0.04 0.00 0.00 177.00 178.20 2rqa h VAL 549 N 2.85 0.56 -0.61 -0.36 -1.51 -1.87 0.93 116.25 116.24 2rqa h VAL 549 Ca -0.47 -0.10 0.17 0.00 -1.23 0.00 0.00 66.70 65.07 2rqa h VAL 549 Cb 1.21 0.23 -0.03 0.00 -2.13 0.00 0.00 31.29 30.58 2rqa h VAL 549 CO 0.66 0.05 0.44 1.05 -1.23 0.00 0.00 177.57 178.54 2rqa h GLU 550 N 0.30 0.02 0.00 5.19 4.11 -1.92 0.37 114.58 122.65 2rqa h GLU 550 Ca 0.40 -0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.64 2rqa h GLU 550 Cb 0.66 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 2rqa h GLU 550 CO -0.48 0.02 -1.38 0.45 0.07 0.00 0.00 179.01 177.69 2rqa h HIS 551 N 0.02 0.00 -3.31 2.06 3.86 0.27 -3.45 115.15 114.60 2rqa h HIS 551 Ca 0.29 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.93 2rqa h HIS 551 Cb 1.14 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.54 2rqa h HIS 551 CO -0.00 0.69 0.37 0.08 0.86 0.00 0.00 177.93 179.92 2rqa s VAL 552 N -2.84 4.89 0.10 2.45 1.01 0.15 -4.17 120.40 121.99 2rqa s VAL 552 Ca -0.02 1.65 0.07 0.00 0.00 0.00 0.00 61.98 63.67 2rqa s VAL 552 Cb 0.08 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 2rqa s VAL 552 CO 0.81 0.05 -0.09 -1.58 0.00 0.00 0.00 175.10 174.29 2rqa s GLN 553 N 1.96 2.18 -0.37 2.72 0.74 -1.02 -0.07 119.66 125.80 2rqa s GLN 553 Ca 0.39 -0.99 -0.19 0.00 0.05 0.00 0.00 55.36 54.62 2rqa s GLN 553 Cb -0.17 -2.33 0.00 0.00 1.10 0.00 0.00 33.01 31.61 2rqa s GLN 553 CO 0.14 0.52 0.54 -0.51 -0.55 0.00 0.00 175.29 175.43 2rqa s LEU 554 N -2.17 4.41 0.00 3.68 1.43 -0.45 -2.85 118.68 122.72 2rqa s LEU 554 Ca 0.21 -0.12 0.06 0.00 -1.03 0.00 0.00 54.13 53.26 2rqa s LEU 554 Cb -0.11 -2.62 -0.02 0.00 0.03 0.00 0.00 46.19 43.47 2rqa s LEU 554 CO 0.14 -0.55 0.21 0.18 0.23 0.00 0.00 176.35 176.55 2rqa n LEU 555 N 5.86 0.00 -4.23 1.79 4.32 -0.74 0.68 117.00 124.67 2rqa n LEU 555 Ca -0.04 -3.24 -0.40 0.00 -0.02 0.00 0.00 56.01 52.31 2rqa n LEU 555 Cb 0.49 1.34 -0.09 0.00 -1.62 0.00 0.00 43.42 43.53 2rqa n LEU 555 CO 0.47 -0.52 -0.08 0.00 -1.22 0.00 0.00 177.39 176.05 2rqa n ILE 557 N 4.88 -0.14 0.10 0.00 -5.35 -1.06 0.29 119.36 118.07 2rqa n ILE 557 Ca -0.08 1.28 -0.05 0.00 -0.27 0.00 0.00 62.75 63.62 2rqa n ILE 557 Cb 0.42 -2.10 -0.02 0.00 -1.74 0.00 0.00 39.64 36.19 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 -0.27 0.00 7.28 4.21 -1.92 -3.41 115.58 121.47 2rqa h ASN 558 Ca 0.67 0.01 0.00 0.00 1.21 0.00 0.00 56.30 58.19 2rqa h ASN 558 Cb 2.29 0.07 0.00 0.00 -1.12 0.00 0.00 38.32 39.56 2rqa h ASN 558 CO -0.26 0.07 -0.00 0.00 -1.29 0.00 0.00 177.43 175.95 2rqa n MET 560 N -2.46 -0.67 0.00 0.00 2.81 0.82 -4.86 117.12 112.76 2rqa n MET 560 Ca -0.00 0.08 0.06 0.00 -1.81 0.00 0.00 57.70 56.04 2rqa n MET 560 Cb 0.00 -2.82 0.02 0.00 -0.71 0.00 0.00 33.22 29.71 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 -1.60 0.00 -1.24 2.03 0.24 -1.26 -4.82 118.33 111.68 2rqa n VAL 561 Ca -0.02 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 2rqa n VAL 561 Cb 0.51 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 34.08 2rqa n VAL 561 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2rqa n ALA 562 N 0.17 -2.48 1.06 2.33 0.00 -1.26 -4.97 120.51 115.37 2rqa n ALA 562 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.62 2rqa n ALA 562 Cb 0.29 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.83 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 0.17 0.00 -3.06 0.00 0.24 0.21 -4.92 118.33 110.97 2rqa n VAL 563 Ca 0.00 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 2rqa n VAL 563 Cb 0.00 1.01 0.00 0.00 -1.47 0.00 0.00 33.84 33.38 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 1.41 -0.62 3.25 7.63 0.00 0.03 -4.64 105.19 112.25 2rqa n GLY 564 Ca 0.09 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 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 1.71 -0.68 1.61 3.76 -1.26 -1.35 115.29 116.08 2rqa s HIS 565 Ca 0.00 -0.40 0.22 0.00 -0.15 0.00 0.00 55.06 54.73 2rqa s HIS 565 Cb 0.00 -0.97 0.87 0.00 1.11 0.00 0.00 32.58 33.59 2rqa s HIS 565 CO 0.00 0.14 1.66 0.41 -0.85 0.00 0.00 174.74 176.10 2rqa n GLY 566 N 1.45 -1.25 1.00 -2.22 0.00 0.90 -1.70 105.19 103.37 2rqa n GLY 566 Ca -0.19 0.03 0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.99 3.36 -0.00 1.61 3.41 -1.22 -4.12 113.62 114.66 2rqa n SER 567 Ca 0.03 -1.96 0.05 0.00 -0.26 0.00 0.00 58.87 56.73 2rqa n SER 567 Cb 0.24 -0.32 -0.07 0.00 -0.26 0.00 0.00 64.21 63.80 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 1.15 1.24 -4.87 4.04 10.43 -0.69 -4.98 116.55 122.87 2rqa n ASP 568 Ca 0.18 -0.47 -0.32 0.00 2.57 0.00 0.00 54.79 56.75 2rqa n ASP 568 Cb 0.53 1.18 -0.05 0.00 1.84 0.00 0.00 41.12 44.61 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 -2.95 4.07 0.00 0.64 0.05 -1.16 -3.68 118.68 115.66 2rqa s LEU 569 Ca 0.01 1.09 0.01 0.00 0.05 0.00 0.00 54.13 55.29 2rqa s LEU 569 Cb 0.08 -3.89 -0.00 0.00 -2.05 0.00 0.00 46.19 40.33 2rqa s LEU 569 CO 0.43 -0.18 0.03 0.54 -0.55 0.00 0.00 176.35 176.62 2rqa n ARG 570 N -0.44 1.13 -4.37 1.48 3.00 -0.91 -4.77 116.66 111.79 2rqa n ARG 570 Ca 0.02 -1.93 -0.21 0.00 -0.01 0.00 0.00 57.85 55.72 2rqa n ARG 570 Cb 0.53 0.70 -0.10 0.00 0.00 0.00 0.00 32.46 33.58 2rqa n ARG 570 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 2rqa s LYS 571 N -2.92 1.39 -0.27 5.56 2.20 -0.70 -2.70 119.74 122.30 2rqa s LYS 571 Ca 0.04 -1.56 -0.01 0.00 -0.36 0.00 0.00 55.97 54.08 2rqa s LYS 571 Cb 0.00 -1.36 0.08 0.00 -1.51 0.00 0.00 37.83 35.04 2rqa s LYS 571 CO 0.03 0.25 0.05 0.08 -0.36 0.00 0.00 175.35 175.40 2rqa s VAL 572 N -2.50 1.02 -1.09 4.02 1.01 -1.26 0.19 120.40 121.80 2rqa s VAL 572 Ca 0.22 -1.23 -0.13 0.00 0.00 0.00 0.00 61.98 60.83 2rqa s VAL 572 Cb -0.04 -1.62 0.13 0.00 0.00 0.00 0.00 36.38 34.85 2rqa s VAL 572 CO 0.09 -0.45 0.36 -1.84 0.00 0.00 0.00 175.10 173.26 2rqa n GLU 573 N 4.82 -1.96 -4.32 2.72 0.28 -1.26 0.22 120.64 121.14 2rqa n GLU 573 Ca -0.05 0.13 -0.33 0.00 -0.16 0.00 0.00 57.16 56.75 2rqa n GLU 573 Cb 0.44 -4.70 -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 -0.86 -0.21 0.31 -1.84 0.00 -1.26 -4.81 105.19 96.52 2rqa n GLY 574 Ca 0.06 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 -4.45 0.63 -3.65 2.61 -1.04 0.13 -5.03 114.28 103.48 2rqa n THR 575 Ca -0.21 -0.20 -0.02 0.00 -2.04 0.00 0.00 64.05 61.57 2rqa n THR 575 Cb 0.64 -1.22 -0.05 0.00 -1.82 0.00 0.00 70.33 67.88 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 -2.21 -1.27 0.44 -1.42 3.76 -1.25 -5.07 115.29 108.28 2rqa s HIS 576 Ca -0.15 2.24 -0.25 0.00 -0.15 0.00 0.00 55.06 56.74 2rqa s HIS 576 Cb 0.05 0.74 -0.09 0.00 1.11 0.00 0.00 32.58 34.39 2rqa s HIS 576 CO 0.23 -0.64 1.36 0.72 -0.85 0.00 0.00 174.74 175.57 2rqa n HIS 577 N 5.32 2.45 -3.51 1.40 8.25 -1.26 -4.08 115.22 123.79 2rqa n HIS 577 Ca -0.13 0.46 -0.21 0.00 -0.26 0.00 0.00 57.72 57.59 2rqa n HIS 577 Cb 0.50 -2.42 -0.14 0.00 1.12 0.00 0.00 29.99 29.05 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 -1.20 -0.26 -0.50 1.59 -7.23 -1.10 -3.52 120.40 108.18 2rqa s VAL 578 Ca 0.61 -0.20 -0.29 0.00 -1.81 0.00 0.00 61.98 60.30 2rqa s VAL 578 Cb -0.47 -0.70 0.03 0.00 0.56 0.00 0.00 36.38 35.80 2rqa s VAL 578 CO 0.58 -0.28 1.14 0.21 -0.31 0.00 0.00 175.10 176.44 2rqa s ASN 579 N 2.27 6.58 0.37 4.85 3.04 -1.08 -2.13 114.94 128.83 2rqa s ASN 579 Ca 0.06 0.35 -0.19 0.00 0.04 0.00 0.00 52.86 53.12 2rqa s ASN 579 Cb -0.16 -2.54 -0.10 0.00 -1.54 0.00 0.00 41.25 36.91 2rqa s ASN 579 CO -0.15 -1.30 0.86 -0.69 -3.04 0.00 0.00 177.10 172.79 2rqa s VAL 580 N 4.53 4.48 0.00 -5.21 1.01 -1.24 -4.23 120.40 119.74 2rqa s VAL 580 Ca 0.46 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.77 2rqa s VAL 580 Cb -0.07 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2rqa s VAL 580 CO 0.30 -0.19 0.00 0.59 0.00 0.00 0.00 175.10 175.80 2rqa n ASN 581 N -0.33 0.00 -0.00 3.32 5.03 -1.26 -4.52 115.26 117.50 2rqa n ASN 581 Ca 0.05 0.00 -0.17 0.00 0.87 0.00 0.00 54.58 55.32 2rqa n ASN 581 Cb 0.53 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 39.19 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 0.48 0.00 3.52 0.13 -1.96 -2.99 132.00 131.18 2rqa h PRO 582 Ca 0.00 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2rqa h PRO 582 Cb 0.00 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.25 2rqa h PRO 582 CO 0.00 1.11 0.00 -0.91 -0.23 0.00 0.00 178.00 177.97 2rqa h ASN 583 N 0.03 0.00 -0.27 1.44 2.35 -1.96 -0.87 115.58 116.30 2rqa h ASN 583 Ca -0.07 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 2rqa h ASN 583 Cb 1.30 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.65 2rqa h ASN 583 CO 0.12 0.00 0.04 0.15 -1.65 0.00 0.00 177.43 176.09 2rqa h PHE 584 N 0.00 0.56 -0.13 1.19 3.57 -1.79 -1.42 116.94 118.92 2rqa h PHE 584 Ca 0.00 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.49 2rqa h PHE 584 Cb 0.04 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 2rqa h PHE 584 CO 0.00 0.52 0.14 0.66 -2.23 0.00 0.00 178.31 177.40 2rqa h SER 585 N 0.53 0.00 1.04 0.41 4.64 -1.31 0.69 113.55 119.55 2rqa h SER 585 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2rqa h SER 585 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2rqa h SER 585 CO 0.00 0.00 -0.64 0.78 -0.87 0.00 0.00 176.83 176.10 2rqa h ASN 586 N 0.00 0.00 0.10 4.97 2.35 -1.43 -3.24 115.58 118.33 2rqa h ASN 586 Ca 0.06 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2rqa h ASN 586 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 2rqa h ASN 586 CO -0.00 0.06 -0.19 -1.22 -1.65 0.00 0.00 177.43 174.42 2rqa n TYR 587 N -2.38 0.00 -3.57 1.19 4.01 0.23 -4.82 117.16 111.82 2rqa n TYR 587 Ca 0.02 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.66 2rqa n TYR 587 Cb 0.48 -0.06 -0.04 0.00 -0.31 0.00 0.00 39.34 39.42 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 -2.31 -0.31 -0.09 -0.72 -0.85 -0.37 0.05 117.35 112.75 2rqa s TYR 588 Ca 0.28 0.03 0.01 0.00 -0.52 0.00 0.00 57.07 56.86 2rqa s TYR 588 Cb 0.20 0.36 0.02 0.00 0.38 0.00 0.00 41.96 42.92 2rqa s TYR 588 CO 0.45 -0.76 -0.10 -0.80 -1.52 0.00 0.00 175.55 172.83 2rqa s ASN 589 N -2.79 2.02 0.16 -0.18 0.01 -0.84 -4.63 114.94 108.69 2rqa s ASN 589 Ca 0.02 -0.31 -0.30 0.00 -0.71 0.00 0.00 52.86 51.56 2rqa s ASN 589 Cb 0.01 -0.85 -0.08 0.00 0.41 0.00 0.00 41.25 40.74 2rqa s ASN 589 CO -0.12 -0.05 1.18 -0.69 -1.51 0.00 0.00 177.10 175.90 2rqa s VAL 590 N 1.25 3.71 1.31 1.60 1.01 -1.26 -3.12 120.40 124.91 2rqa s VAL 590 Ca -0.03 1.41 -0.18 0.00 0.00 0.00 0.00 61.98 63.17 2rqa s VAL 590 Cb -0.14 -3.90 0.32 0.00 0.00 0.00 0.00 36.38 32.66 2rqa s VAL 590 CO -0.03 0.21 0.86 -0.24 0.00 0.00 0.00 175.10 175.90 2rqa n SER 591 N 2.71 -2.95 0.03 3.32 2.88 0.81 -4.92 113.62 115.50 2rqa n SER 591 Ca 0.05 -0.50 -0.07 0.00 -1.33 0.00 0.00 58.87 57.02 2rqa n SER 591 Cb 0.45 -1.11 -0.05 0.00 -0.75 0.00 0.00 64.21 62.75 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 -3.11 -0.17 -6.03 -1.46 3.08 -1.95 -3.44 114.38 101.30 2rqa h ARG 592 Ca -0.52 0.01 -0.62 0.00 0.07 0.00 0.00 59.98 58.92 2rqa h ARG 592 Cb 1.32 0.04 0.15 0.00 0.08 0.00 0.00 29.97 31.56 2rqa h ARG 592 CO 0.37 0.17 -0.86 -0.40 -1.07 0.00 0.00 179.97 178.18 2rqa n ASP 593 N -4.87 -2.54 0.00 7.04 3.85 -1.26 -4.95 116.55 113.82 2rqa n ASP 593 Ca -0.05 0.85 0.00 0.00 -0.71 0.00 0.00 54.79 54.87 2rqa n ASP 593 Cb 0.21 -0.91 0.00 0.00 -1.35 0.00 0.00 41.12 39.06 2rqa n ASP 593 CO 0.00 0.00 0.00 -0.81 -1.01 0.00 0.00 177.20 175.38 2rqa n PRO 594 N 1.23 0.00 -3.79 0.11 -0.04 -1.26 -4.67 135.00 126.57 2rqa n PRO 594 Ca 0.12 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.22 2rqa n PRO 594 Cb 0.39 -0.14 -0.10 0.00 -0.04 0.00 0.00 33.50 33.60 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 4.97 -0.48 0.52 1.01 -1.26 -4.00 120.40 121.15 2rqa s VAL 595 Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.07 2rqa s VAL 595 Cb 0.00 -3.30 0.18 0.00 0.00 0.00 0.00 36.38 33.27 2rqa s VAL 595 CO 0.00 0.38 0.41 0.52 0.00 0.00 0.00 175.10 176.41 2rqa n VAL 596 N 4.18 -0.41 -3.88 2.92 0.31 -1.26 -5.09 118.33 115.09 2rqa n VAL 596 Ca -0.16 -3.87 -0.11 0.00 -0.01 0.00 0.00 64.34 60.19 2rqa n VAL 596 Cb 0.52 -1.82 -0.11 0.00 -0.91 0.00 0.00 33.84 31.53 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 -0.52 0.08 0.14 2.52 1.01 -1.26 -4.98 121.20 118.18 2rqa s ILE 597 Ca 0.32 -0.62 -0.26 0.00 0.00 0.00 0.00 60.65 60.09 2rqa s ILE 597 Cb 0.04 -0.36 -0.01 0.00 0.01 0.00 0.00 42.46 42.14 2rqa s ILE 597 CO -0.17 -0.34 1.60 -1.13 0.00 0.00 0.00 174.94 174.89 2rqa h ASN 598 N 4.61 -1.11 -3.76 3.58 -0.73 -2.08 -3.42 115.58 112.67 2rqa h ASN 598 Ca -0.30 0.17 -0.23 0.00 1.87 0.00 0.00 56.30 57.81 2rqa h ASN 598 Cb 1.20 0.48 -0.28 0.00 0.27 0.00 0.00 38.32 39.99 2rqa h ASN 598 CO 0.41 -0.37 -0.71 -0.75 -0.37 0.00 0.00 177.43 175.64 2rqa s LYS 599 N -5.96 0.01 0.25 6.67 2.36 -1.26 -5.14 119.74 116.66 2rqa s LYS 599 Ca -0.15 -0.01 -0.22 0.00 -2.55 0.00 0.00 55.97 53.04 2rqa s LYS 599 Cb 0.11 0.01 -0.09 0.00 -1.05 0.00 0.00 37.83 36.81 2rqa s LYS 599 CO 0.66 -0.00 0.80 0.08 1.55 0.00 0.00 175.35 178.43 2rqa s VAL 600 N -0.03 4.44 0.39 4.02 1.01 -1.26 -5.06 120.40 123.91 2rqa s VAL 600 Ca -0.00 1.48 0.08 0.00 0.00 0.00 0.00 61.98 63.53 2rqa s VAL 600 Cb -0.00 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 2rqa s VAL 600 CO -0.00 0.21 0.41 -0.36 0.00 0.00 0.00 175.10 175.36 2rqa s PHE 601 N -1.52 2.84 -0.21 5.22 0.40 -1.25 -5.07 117.98 118.39 2rqa s PHE 601 Ca 0.45 -0.39 -0.16 0.00 -0.60 0.00 0.00 56.93 56.23 2rqa s PHE 601 Cb -0.18 -2.10 -0.10 0.00 0.51 0.00 0.00 43.02 41.15 2rqa s PHE 601 CO 0.22 -0.10 -0.22 1.63 0.70 0.00 0.00 175.22 177.45 2rqa n LYS 602 N -1.59 0.54 -0.45 0.44 4.76 -1.26 -4.29 118.16 116.31 2rqa n LYS 602 Ca 0.03 0.35 0.39 0.00 -2.87 0.00 0.00 58.31 56.21 2rqa n LYS 602 Cb 0.60 -1.55 0.67 0.00 -1.84 0.00 0.00 35.03 32.90 2rqa n LYS 602 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2rqa h ASP 603 N -1.00 0.22 -5.02 4.39 3.32 -1.98 -3.40 116.42 112.95 2rqa h ASP 603 Ca -0.31 0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 2rqa h ASP 603 Cb 1.19 0.18 -0.15 0.00 0.22 0.00 0.00 39.33 40.77 2rqa h ASP 603 CO -0.19 -0.29 0.07 -1.66 -1.72 0.00 0.00 179.24 175.45 2rqa s TRP 604 N -5.31 -0.44 0.31 4.55 1.48 -1.26 -4.79 118.94 113.48 2rqa s TRP 604 Ca -0.08 0.42 0.09 0.00 -1.06 0.00 0.00 56.10 55.48 2rqa s TRP 604 Cb 0.32 0.39 -0.04 0.00 -1.16 0.00 0.00 33.47 32.97 2rqa s TRP 604 CO 0.82 -0.69 0.06 -1.59 -4.06 0.00 0.00 176.95 171.48 2rqa s LYS 605 N -2.79 2.29 0.93 3.25 -2.85 -0.79 -3.75 119.74 116.03 2rqa s LYS 605 Ca -0.03 -1.52 -0.16 0.00 -1.00 0.00 0.00 55.97 53.26 2rqa s LYS 605 Cb -0.00 -2.13 0.22 0.00 -2.06 0.00 0.00 37.83 33.86 2rqa s LYS 605 CO -0.04 0.23 1.02 -0.35 0.10 0.00 0.00 175.35 176.30 2rqa n PRO 606 N -1.01 -1.94 0.00 1.78 -0.04 -1.26 -0.46 135.00 132.08 2rqa n PRO 606 Ca -0.05 -1.60 0.00 0.00 -0.04 0.00 0.00 63.50 61.81 2rqa n PRO 606 Cb 0.60 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 2rqa n PRO 606 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rqa n GLY 607 N -2.94 0.03 3.58 0.55 0.00 0.49 -4.29 105.19 102.61 2rqa n GLY 607 Ca 0.13 0.06 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.23 -0.56 0.08 -0.02 0.00 -1.21 -4.23 107.32 100.15 2rqa s GLY 608 Ca 0.00 1.69 -0.35 0.00 0.00 0.00 0.00 44.72 46.06 2rqa s GLY 608 CO 0.00 1.37 1.55 -0.62 0.00 0.00 0.00 173.10 175.40 2rqa n VAL 609 N 1.83 0.09 -3.66 1.40 0.31 -1.26 0.07 118.33 117.11 2rqa n VAL 609 Ca -0.16 -0.02 -0.35 0.00 -0.01 0.00 0.00 64.34 63.80 2rqa n VAL 609 Cb 0.56 -1.32 -0.05 0.00 -0.91 0.00 0.00 33.84 32.11 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 1.32 5.19 -0.06 2.52 1.01 0.46 -0.13 121.20 131.51 2rqa s ILE 610 Ca 0.84 0.34 -0.02 0.00 0.00 0.00 0.00 60.65 61.81 2rqa s ILE 610 Cb -0.80 -3.61 0.04 0.00 0.01 0.00 0.00 42.46 38.10 2rqa s ILE 610 CO 0.44 0.35 0.10 -0.94 0.00 0.00 0.00 174.94 174.89 2rqa s SER 611 N -1.68 0.55 -0.30 3.58 1.04 -1.18 -2.34 113.70 113.38 2rqa s SER 611 Ca 0.30 0.20 -0.31 0.00 0.48 0.00 0.00 55.95 56.62 2rqa s SER 611 Cb -0.14 0.07 -0.08 0.00 0.10 0.00 0.00 66.02 65.98 2rqa s SER 611 CO 0.17 -0.20 2.23 0.00 0.98 0.00 0.00 173.24 176.41 2rqa h ARG 613 N 14.33 0.30 -0.32 0.00 2.43 -0.70 1.57 114.38 131.99 2rqa h ARG 613 Ca -0.34 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 58.78 2rqa h ARG 613 Cb 1.27 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.76 2rqa h ARG 613 CO 1.00 0.45 0.13 -0.91 -1.51 0.00 0.00 179.97 179.13 2rqa h ASN 614 N 0.28 0.17 0.00 -3.80 -0.26 -1.87 -3.41 115.58 106.69 2rqa h ASN 614 Ca 0.05 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 2rqa h ASN 614 Cb 0.43 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.69 2rqa h ASN 614 CO 0.03 0.13 0.00 0.00 -1.06 0.00 0.00 177.43 176.53 2rqa n GLY 616 N 3.52 0.32 3.44 0.00 0.00 0.53 -4.94 105.19 108.06 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 0.14 -1.68 1.61 4.07 -1.26 -3.66 120.64 119.85 2rqa n GLU 617 Ca 0.00 0.02 -0.50 0.00 -0.06 0.00 0.00 57.16 56.62 2rqa n GLU 617 Cb 0.00 -1.71 -0.05 0.00 -0.06 0.00 0.00 31.44 29.62 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 0.48 0.10 6.31 0.31 -1.26 -2.97 118.33 128.60 2rqa n VAL 618 Ca 0.60 -0.09 -0.23 0.00 -0.01 0.00 0.00 64.34 64.62 2rqa n VAL 618 Cb 0.07 -1.72 -0.14 0.00 -0.91 0.00 0.00 33.84 31.13 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 8.56 0.89 0.00 3.52 6.55 -1.75 -3.48 115.95 130.24 2rqa h TRP 619 Ca -0.48 -0.60 0.00 0.00 0.95 0.00 0.00 58.89 58.76 2rqa h TRP 619 Cb 1.28 -0.05 0.00 0.00 -0.86 0.00 0.00 29.16 29.53 2rqa h TRP 619 CO 0.84 1.46 0.00 0.41 -1.05 0.00 0.00 178.44 180.10 2rqa n GLY 620 N 1.55 -0.68 3.19 1.49 0.00 -1.22 -3.50 105.19 106.01 2rqa n GLY 620 Ca -0.15 0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 1.28 0.06 0.99 -0.00 -1.22 -0.41 118.68 119.38 2rqa s LEU 621 Ca 0.00 -0.31 -0.24 0.00 -0.00 0.00 0.00 54.13 53.59 2rqa s LEU 621 Cb 0.00 1.01 -0.06 0.00 -0.00 0.00 0.00 46.19 47.14 2rqa s LEU 621 CO 0.00 -0.55 0.72 -1.58 -0.00 0.00 0.00 176.35 174.94 2rqa s GLN 622 N -2.42 4.45 0.04 1.48 0.74 0.11 -1.83 119.66 122.23 2rqa s GLN 622 Ca -0.06 0.99 0.07 0.00 0.05 0.00 0.00 55.36 56.41 2rqa s GLN 622 Cb -0.02 -3.33 -0.03 0.00 1.10 0.00 0.00 33.01 30.73 2rqa s GLN 622 CO -0.03 0.37 -0.16 -1.64 -0.55 0.00 0.00 175.29 173.28 2rqa s MET 623 N -0.35 2.13 -0.03 1.67 -1.94 0.99 0.18 119.30 121.96 2rqa s MET 623 Ca 0.36 -0.95 0.05 0.00 -1.71 0.00 0.00 55.69 53.43 2rqa s MET 623 Cb -0.20 -2.23 -0.03 0.00 2.01 0.00 0.00 34.83 34.38 2rqa s MET 623 CO 0.22 0.55 -0.16 0.42 -0.01 0.00 0.00 175.02 176.04 2rqa s ILE 624 N -0.95 2.95 -0.19 2.53 1.09 0.39 -0.37 121.20 126.65 2rqa s ILE 624 Ca 0.15 -0.84 -0.04 0.00 -1.10 0.00 0.00 60.65 58.82 2rqa s ILE 624 Cb -0.11 -2.16 0.09 0.00 -1.06 0.00 0.00 42.46 39.22 2rqa s ILE 624 CO 0.06 0.54 0.29 -0.47 -0.10 0.00 0.00 174.94 175.26 2rqa s TYR 625 N -0.76 -0.50 -1.10 3.97 5.04 -0.96 -1.89 117.35 121.15 2rqa s TYR 625 Ca 0.12 0.74 0.00 0.00 -2.44 0.00 0.00 57.07 55.49 2rqa s TYR 625 Cb -0.11 -0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.10 2rqa s TYR 625 CO 0.01 -0.53 0.00 1.63 -1.34 0.00 0.00 175.55 175.32 2rqa n LYS 626 N 5.35 -1.07 -1.81 4.97 4.76 -1.26 -1.97 118.16 127.12 2rqa n LYS 626 Ca -0.05 0.82 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 2rqa n LYS 626 Cb 0.50 -4.89 0.00 0.00 -1.84 0.00 0.00 35.03 28.79 2rqa n LYS 626 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2rqa n SER 627 N -0.37 -1.43 -4.03 4.39 3.41 -1.26 -5.07 113.62 109.26 2rqa n SER 627 Ca -0.10 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.22 2rqa n SER 627 Cb 0.43 -0.37 -0.17 0.00 -0.26 0.00 0.00 64.21 63.85 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 -2.70 1.48 -0.69 -3.33 1.01 -0.83 -5.07 120.40 110.26 2rqa s VAL 628 Ca 0.00 -0.60 -0.27 0.00 0.00 0.00 0.00 61.98 61.11 2rqa s VAL 628 Cb 0.00 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 35.01 2rqa s VAL 628 CO 0.00 0.44 1.54 -0.54 0.00 0.00 0.00 175.10 176.54 2rqa s LYS 629 N 1.22 2.95 -0.25 2.72 -0.14 -1.26 -2.26 119.74 122.72 2rqa s LYS 629 Ca -0.02 0.10 0.02 0.00 -1.36 0.00 0.00 55.97 54.72 2rqa s LYS 629 Cb -0.14 -4.31 0.05 0.00 -1.68 0.00 0.00 37.83 31.75 2rqa s LYS 629 CO -0.05 -2.42 -0.12 -0.51 -0.76 0.00 0.00 175.35 171.49 2rqa s LEU 630 N 7.23 3.26 0.18 3.17 1.43 0.50 -4.74 118.68 129.71 2rqa s LEU 630 Ca 0.50 -1.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.03 2rqa s LEU 630 Cb -0.10 -1.55 -0.08 0.00 0.03 0.00 0.00 46.19 44.50 2rqa s LEU 630 CO 0.17 -0.16 1.12 -2.16 0.23 0.00 0.00 176.35 175.54 2rqa s PRO 631 N 1.14 4.58 -0.51 1.29 0.04 -1.26 -0.01 135.00 140.27 2rqa s PRO 631 Ca -0.06 1.75 -0.13 0.00 0.04 0.00 0.00 61.00 62.60 2rqa s PRO 631 Cb -0.19 -3.27 0.12 0.00 0.04 0.00 0.00 34.50 31.21 2rqa s PRO 631 CO -0.06 0.05 0.42 0.08 0.04 0.00 0.00 177.00 177.54 2rqa s VAL 632 N -0.26 4.73 0.45 -0.36 1.01 -0.76 -2.64 120.40 122.57 2rqa s VAL 632 Ca 0.50 -1.63 0.08 0.00 0.00 0.00 0.00 61.98 60.93 2rqa s VAL 632 Cb -0.30 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.03 2rqa s VAL 632 CO 0.36 -0.82 0.56 -0.76 0.00 0.00 0.00 175.10 174.44 2rqa s LEU 633 N 1.49 3.49 0.00 3.92 2.01 -1.23 -3.40 118.68 124.96 2rqa s LEU 633 Ca 0.04 -0.58 0.03 0.00 0.01 0.00 0.00 54.13 53.63 2rqa s LEU 633 Cb -0.28 -2.33 0.08 0.00 0.01 0.00 0.00 46.19 43.67 2rqa s LEU 633 CO 0.01 -0.84 0.63 0.29 1.01 0.00 0.00 176.35 177.46 2rqa n LYS 634 N -1.85 0.41 -0.03 1.70 5.02 -1.23 -4.64 118.16 117.54 2rqa n LYS 634 Ca 0.08 -2.04 0.02 0.00 -2.02 0.00 0.00 58.31 54.35 2rqa n LYS 634 Cb 0.60 -0.32 -0.11 0.00 -0.02 0.00 0.00 35.03 35.18 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 -2.16 0.34 1.40 -0.18 3.14 -1.26 -3.90 118.33 115.71 2rqa n VAL 635 Ca 0.12 -0.41 0.14 0.00 -2.96 0.00 0.00 64.34 61.23 2rqa n VAL 635 Cb 0.42 -0.14 0.57 0.00 -1.06 0.00 0.00 33.84 33.63 2rqa n VAL 635 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 2rqa n ARG 636 N -2.18 0.79 -0.00 1.45 1.85 -1.22 -3.35 116.66 114.00 2rqa n ARG 636 Ca -0.10 -0.32 0.05 0.00 -1.00 0.00 0.00 57.85 56.48 2rqa n ARG 636 Cb 0.58 -1.49 -0.08 0.00 -1.05 0.00 0.00 32.46 30.42 2rqa n ARG 636 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2rqa n SER 637 N -0.82 1.61 -4.53 2.89 7.64 -1.26 -4.87 113.62 114.28 2rqa n SER 637 Ca 0.15 -0.33 -0.35 0.00 1.01 0.00 0.00 58.87 59.35 2rqa n SER 637 Cb 0.29 1.29 -0.11 0.00 -1.01 0.00 0.00 64.21 64.67 2rqa n SER 637 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2rqa s MET 638 N -2.45 3.77 0.08 1.43 -1.94 -1.21 -2.57 119.30 116.41 2rqa s MET 638 Ca -0.01 -0.45 -0.17 0.00 -1.71 0.00 0.00 55.69 53.36 2rqa s MET 638 Cb 0.08 -3.13 -0.07 0.00 2.01 0.00 0.00 34.83 33.72 2rqa s MET 638 CO 0.46 0.14 0.53 -1.17 -0.01 0.00 0.00 175.02 174.96 2rqa s LEU 639 N 0.70 4.46 -0.60 -0.03 2.96 0.13 -4.73 118.68 121.57 2rqa s LEU 639 Ca 0.01 1.14 -0.06 0.00 -0.22 0.00 0.00 54.13 55.00 2rqa s LEU 639 Cb -0.14 -2.96 0.16 0.00 0.50 0.00 0.00 46.19 43.75 2rqa s LEU 639 CO 0.02 0.23 0.45 -0.76 -1.32 0.00 0.00 176.35 174.97 2rqa s LEU 640 N -1.39 5.62 -0.12 -0.68 2.01 -1.06 -1.80 118.68 121.27 2rqa s LEU 640 Ca 0.31 -2.52 -0.29 0.00 0.01 0.00 0.00 54.13 51.64 2rqa s LEU 640 Cb -0.17 -1.95 -0.03 0.00 0.01 0.00 0.00 46.19 44.05 2rqa s LEU 640 CO 0.18 -0.50 1.33 -1.61 1.01 0.00 0.00 176.35 176.76 2rqa s GLU 641 N 0.44 4.24 0.14 1.70 2.02 -1.13 -2.44 118.70 123.68 2rqa s GLU 641 Ca 0.13 1.77 0.04 0.00 0.02 0.00 0.00 54.97 56.94 2rqa s GLU 641 Cb -0.20 -3.77 -0.04 0.00 0.10 0.00 0.00 34.13 30.22 2rqa s GLU 641 CO -0.04 -0.69 -0.10 0.95 0.02 0.00 0.00 175.26 175.40 2rqa s THR 642 N 3.37 1.15 -2.00 3.63 -4.23 -1.26 -2.42 115.64 113.89 2rqa s THR 642 Ca 0.59 -2.04 0.20 0.00 -1.18 0.00 0.00 61.69 59.26 2rqa s THR 642 Cb -0.25 -1.82 0.57 0.00 1.34 0.00 0.00 72.50 72.34 2rqa s THR 642 CO 0.19 -0.74 1.62 -0.81 -0.54 0.00 0.00 174.62 174.34 2rqa n PRO 643 N -0.16 0.75 0.00 3.99 -0.04 -1.26 -1.94 135.00 136.34 2rqa n PRO 643 Ca -0.11 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.40 2rqa n PRO 643 Cb 0.60 -1.42 -0.00 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.92 2.10 0.00 0.54 6.02 -1.26 -5.08 117.38 118.79 2rqa n GLN 644 Ca 0.15 -0.59 0.00 0.00 -0.01 0.00 0.00 57.00 56.55 2rqa n GLN 644 Cb 0.07 -1.07 0.00 0.00 1.02 0.00 0.00 30.24 30.26 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 0.88 3.74 3.69 1.08 0.00 -0.82 -5.09 105.19 108.68 2rqa n GLY 645 Ca 0.04 -1.51 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.72 0.73 -3.90 1.61 1.74 -1.26 -4.04 116.66 110.83 2rqa n ARG 646 Ca 0.00 0.31 -0.19 0.00 -0.77 0.00 0.00 57.85 57.21 2rqa n ARG 646 Cb 0.00 -2.42 -0.17 0.00 -1.02 0.00 0.00 32.46 28.85 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 -1.67 0.22 -0.42 0.55 1.01 -1.02 -4.96 121.20 114.90 2rqa s ILE 647 Ca 0.78 0.10 0.04 0.00 0.00 0.00 0.00 60.65 61.57 2rqa s ILE 647 Cb -0.35 -0.33 0.11 0.00 0.01 0.00 0.00 42.46 41.90 2rqa s ILE 647 CO 0.45 0.17 0.15 -1.58 0.00 0.00 0.00 174.94 174.14 2rqa s GLN 648 N 1.28 1.66 0.75 2.79 0.74 -1.26 -2.55 119.66 123.06 2rqa s GLN 648 Ca -0.06 -2.17 -0.04 0.00 0.05 0.00 0.00 55.36 53.13 2rqa s GLN 648 Cb -0.13 -3.18 0.12 0.00 1.10 0.00 0.00 33.01 30.92 2rqa s GLN 648 CO -0.02 -1.02 1.04 0.00 -0.55 0.00 0.00 175.29 174.74 2rqa s ALA 649 N 0.40 3.35 -0.08 1.58 0.00 -1.26 -5.03 121.76 120.71 2rqa s ALA 649 Ca 0.14 -1.48 0.08 0.00 0.00 0.00 0.00 51.96 50.69 2rqa s ALA 649 Cb -0.22 -2.25 -0.11 0.00 0.00 0.00 0.00 23.12 20.54 2rqa s ALA 649 CO -0.05 -1.57 0.04 1.63 0.00 0.00 0.00 175.76 175.80 2rqa n LYS 650 N -2.99 2.50 -4.31 0.00 5.02 -1.26 -3.43 118.16 113.69 2rqa n LYS 650 Ca 0.13 -0.01 -0.20 0.00 -2.02 0.00 0.00 58.31 56.21 2rqa n LYS 650 Cb 0.60 -1.22 -0.11 0.00 -0.02 0.00 0.00 35.03 34.28 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 -2.23 1.20 0.00 1.97 -0.14 -1.26 -4.06 119.74 115.22 2rqa s LYS 651 Ca -0.04 -1.37 0.20 0.00 -1.36 0.00 0.00 55.97 53.40 2rqa s LYS 651 Cb 0.03 -1.19 0.97 0.00 -1.68 0.00 0.00 37.83 35.96 2rqa s LYS 651 CO 0.35 0.23 1.63 0.91 -0.76 0.00 0.00 175.35 177.72 2rqa n TRP 652 N 0.31 0.00 0.29 3.18 7.02 -1.26 -2.05 117.44 124.93 2rqa n TRP 652 Ca -0.13 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 56.50 2rqa n TRP 652 Cb 0.57 -0.34 0.53 0.00 -2.42 0.00 0.00 31.31 29.65 2rqa n TRP 652 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 2rqa h SER 653 N 0.00 0.00 0.00 -0.99 0.87 -2.02 -2.74 113.55 108.68 2rqa h SER 653 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2rqa h SER 653 Cb 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2rqa h SER 653 CO 0.00 0.00 -1.46 0.54 -0.53 0.00 0.00 176.83 175.38 2rqa n ARG 654 N -2.97 0.58 -1.57 2.24 5.12 -0.87 -4.99 116.66 114.20 2rqa n ARG 654 Ca 0.02 -0.10 -0.62 0.00 -1.93 0.00 0.00 57.85 55.22 2rqa n ARG 654 Cb 0.36 -1.45 -0.09 0.00 -1.16 0.00 0.00 32.46 30.12 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 -1.86 0.00 -0.03 1.55 0.31 -1.03 -4.86 118.33 112.40 2rqa n VAL 655 Ca -0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 2rqa n VAL 655 Cb 0.42 -0.15 -0.11 0.00 -0.91 0.00 0.00 33.84 33.10 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 3.59 -0.03 -7.30 5.55 0.13 -1.92 -3.46 132.00 128.56 2rqa h PRO 656 Ca -0.49 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.15 2rqa h PRO 656 Cb 1.41 0.01 0.16 0.00 0.13 0.00 0.00 31.00 32.71 2rqa h PRO 656 CO 0.75 0.67 0.24 -0.59 -0.23 0.00 0.00 178.00 178.84 2rqa s PHE 657 N -3.17 2.19 0.10 1.56 -0.71 -1.25 -4.72 117.98 111.97 2rqa s PHE 657 Ca -0.16 1.42 0.06 0.00 -1.04 0.00 0.00 56.93 57.20 2rqa s PHE 657 Cb -0.01 -3.15 -0.04 0.00 -1.21 0.00 0.00 43.02 38.61 2rqa s PHE 657 CO 0.64 -2.43 -0.04 -1.12 -1.34 0.00 0.00 175.22 170.93 2rqa s SER 658 N -3.21 4.79 -0.27 1.98 0.01 -1.26 -5.01 113.70 110.72 2rqa s SER 658 Ca 0.64 -0.27 -0.01 0.00 1.31 0.00 0.00 55.95 57.63 2rqa s SER 658 Cb -0.19 -1.06 0.14 0.00 0.21 0.00 0.00 66.02 65.12 2rqa s SER 658 CO 0.58 0.17 0.37 0.54 0.41 0.00 0.00 173.24 175.31 2rqa s VAL 659 N -1.30 -0.58 0.61 3.43 0.11 -1.26 -4.78 120.40 116.63 2rqa s VAL 659 Ca 0.24 -0.23 -0.15 0.00 -2.93 0.00 0.00 61.98 58.92 2rqa s VAL 659 Cb -0.11 -0.91 -0.03 0.00 -1.53 0.00 0.00 36.38 33.80 2rqa s VAL 659 CO 0.17 -0.24 1.05 -2.16 -3.33 0.00 0.00 175.10 170.58 2rqa s PRO 660 N 2.51 3.29 1.00 1.54 0.04 -1.26 -4.18 135.00 137.94 2rqa s PRO 660 Ca 0.11 1.12 -0.18 0.00 0.04 0.00 0.00 61.00 62.09 2rqa s PRO 660 Cb -0.14 -2.03 -0.12 0.00 0.04 0.00 0.00 34.50 32.25 2rqa s PRO 660 CO -0.24 -0.82 -0.70 -3.47 0.04 0.00 0.00 177.00 171.81 2rqa n ASP 661 N -2.24 -4.78 -4.63 6.66 2.03 -1.26 -1.73 116.55 110.60 2rqa n ASP 661 Ca 0.08 0.16 -0.43 0.00 0.52 0.00 0.00 54.79 55.13 2rqa n ASP 661 Cb 0.53 -0.80 -0.02 0.00 -0.72 0.00 0.00 41.12 40.11 2rqa n ASP 661 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2rqa s PHE 662 N -2.07 2.96 -0.49 -0.67 2.19 0.51 -4.34 117.98 116.06 2rqa s PHE 662 Ca 0.43 1.05 -0.28 0.00 0.33 0.00 0.00 56.93 58.46 2rqa s PHE 662 Cb -0.14 -3.79 0.01 0.00 -1.31 0.00 0.00 43.02 37.78 2rqa s PHE 662 CO 0.77 -1.16 1.50 -0.51 1.83 0.00 0.00 175.22 177.65 2rqa s ASP 663 N 2.09 6.09 0.20 6.13 1.11 -1.26 -4.85 116.67 126.19 2rqa s ASP 663 Ca 0.50 0.60 0.00 0.00 0.18 0.00 0.00 52.55 53.83 2rqa s ASP 663 Cb -0.14 -2.54 0.13 0.00 1.07 0.00 0.00 42.92 41.44 2rqa s ASP 663 CO 0.19 -1.67 1.49 0.15 1.18 0.00 0.00 175.17 176.50 2rqa h PHE 664 N 11.52 0.49 0.43 4.23 3.57 -1.97 -0.91 116.94 134.29 2rqa h PHE 664 Ca -0.28 -0.20 -0.02 0.00 3.53 0.00 0.00 57.97 61.00 2rqa h PHE 664 Cb 1.11 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.77 2rqa h PHE 664 CO 1.00 0.92 -0.20 -0.07 -2.23 0.00 0.00 178.31 177.73 2rqa h LEU 665 N 0.27 -0.48 0.88 0.59 3.38 -1.97 0.42 115.31 118.40 2rqa h LEU 665 Ca -0.01 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2rqa h LEU 665 Cb 1.20 0.13 0.01 0.00 0.09 0.00 0.00 40.66 42.08 2rqa h LEU 665 CO 0.11 -0.25 -0.42 -0.61 0.09 0.00 0.00 178.44 177.36 2rqa h GLN 666 N -0.70 -1.14 -0.99 1.13 5.75 -1.97 0.44 115.11 117.63 2rqa h GLN 666 Ca -0.06 0.08 0.23 0.00 -0.15 0.00 0.00 58.65 58.75 2rqa h GLN 666 Cb 0.51 0.26 -0.09 0.00 1.07 0.00 0.00 27.48 29.22 2rqa h GLN 666 CO 0.10 -0.75 0.63 1.25 -2.65 0.00 0.00 178.83 177.40 2rqa h HIS 667 N -1.25 0.74 0.00 3.99 2.76 -1.21 1.48 115.15 121.67 2rqa h HIS 667 Ca -0.12 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 57.94 2rqa h HIS 667 Cb 0.91 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.63 2rqa h HIS 667 CO -0.00 0.13 -0.63 0.00 -1.30 0.00 0.00 177.93 176.13 2rqa n ALA 669 N -2.41 1.96 0.21 0.00 0.00 0.49 -1.18 120.51 119.57 2rqa n ALA 669 Ca -0.01 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.42 2rqa n ALA 669 Cb 0.63 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 18.72 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 0.99 -0.00 0.00 -0.58 0.05 -4.48 120.64 114.87 2rqa n GLU 670 Ca 0.05 -0.63 0.07 0.00 -0.42 0.00 0.00 57.16 56.23 2rqa n GLU 670 Cb 0.27 -1.01 -0.10 0.00 -0.57 0.00 0.00 31.44 30.03 2rqa n GLU 670 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2rqa n ASN 671 N -0.02 1.29 -3.52 1.62 5.03 0.50 -4.99 115.26 115.16 2rqa n ASN 671 Ca 0.02 -0.34 -0.16 0.00 0.87 0.00 0.00 54.58 54.98 2rqa n ASN 671 Cb 0.11 1.39 0.09 0.00 -1.02 0.00 0.00 39.78 40.35 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 -1.73 0.00 -1.24 3.41 4.77 -0.33 -5.00 117.00 116.89 2rqa n LEU 672 Ca -0.00 -1.24 0.12 0.00 -0.03 0.00 0.00 56.01 54.85 2rqa n LEU 672 Cb 0.31 -0.47 0.27 0.00 -2.33 0.00 0.00 43.42 41.20 2rqa n LEU 672 CO 0.29 -0.88 0.73 -1.54 -1.33 0.00 0.00 177.39 174.67 2rqa n SER 673 N -3.09 3.70 0.28 -1.43 3.41 -1.26 -4.31 113.62 110.92 2rqa n SER 673 Ca 0.11 -1.99 0.17 0.00 -0.26 0.00 0.00 58.87 56.89 2rqa n SER 673 Cb 0.37 -0.37 0.89 0.00 -0.26 0.00 0.00 64.21 64.84 2rqa n SER 673 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2rqa h ASP 674 N 4.27 0.00 0.00 4.04 3.58 -1.92 -2.93 116.42 123.46 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 0.98 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.03 2rqa h ASP 674 CO 0.00 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 176.54 2rqa n LEU 675 N -2.74 0.60 -3.55 2.28 7.99 -1.26 -5.04 117.00 115.27 2rqa n LEU 675 Ca -0.02 0.32 -0.17 0.00 -0.01 0.00 0.00 56.01 56.13 2rqa n LEU 675 Cb 0.17 -0.38 -0.06 0.00 -0.11 0.00 0.00 43.42 43.03 2rqa n LEU 675 CO 0.15 -0.38 0.43 -0.44 -1.51 0.00 0.00 177.39 175.63 2rqa s SER 676 N -2.65 -0.67 -0.03 -1.43 0.01 -1.10 -5.08 113.70 102.75 2rqa s SER 676 Ca 0.00 0.86 -0.07 0.00 1.31 0.00 0.00 55.95 58.05 2rqa s SER 676 Cb 0.00 0.73 -0.04 0.00 0.21 0.00 0.00 66.02 66.92 2rqa s SER 676 CO 0.00 -0.53 0.41 -0.07 0.41 0.00 0.00 173.24 173.46 2rqa h LEU 677 N 3.45 -0.21 0.00 2.44 3.38 -1.97 -3.45 115.31 118.95 2rqa h LEU 677 Ca -0.27 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2rqa h LEU 677 Cb 1.15 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2rqa h LEU 677 CO 0.32 0.05 0.00 -0.67 0.09 0.00 0.00 178.44 178.23