#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 3.41 1.11 1.61 0.04 -1.26 -5.03 135.00 134.88 2rqa s PRO 543 Ca 0.00 1.17 -0.17 0.00 0.04 0.00 0.00 61.00 62.04 2rqa s PRO 543 Cb 0.00 -2.05 0.26 0.00 0.04 0.00 0.00 34.50 32.75 2rqa s PRO 543 CO 0.00 -0.73 0.59 1.58 0.04 0.00 0.00 177.00 178.48 2rqa n HIS 544 N -1.96 -3.03 -2.90 0.56 -0.00 -1.26 -4.86 115.22 101.77 2rqa n HIS 544 Ca 0.08 -0.41 -0.43 0.00 0.46 0.00 0.00 57.72 57.42 2rqa n HIS 544 Cb 0.53 -1.14 0.01 0.00 -0.12 0.00 0.00 29.99 29.27 2rqa n HIS 544 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 2rqa n MET 545 N -3.51 4.32 -4.76 1.57 2.81 -1.26 -4.98 117.12 111.30 2rqa n MET 545 Ca 0.09 -4.38 -0.33 0.00 -1.81 0.00 0.00 57.70 51.27 2rqa n MET 545 Cb 0.41 -2.58 -0.13 0.00 -0.71 0.00 0.00 33.22 30.21 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 -2.21 2.77 -0.27 0.03 -2.07 -1.26 -5.09 119.66 111.56 2rqa s GLN 546 Ca 0.32 -0.63 -0.01 0.00 -1.82 0.00 0.00 55.36 53.23 2rqa s GLN 546 Cb 0.05 -2.52 0.14 0.00 -1.09 0.00 0.00 33.01 29.59 2rqa s GLN 546 CO 0.09 0.56 0.33 -0.06 -1.32 0.00 0.00 175.29 174.89 2rqa s PHE 547 N -0.55 -0.63 0.35 9.60 0.40 -1.26 -5.06 117.98 120.82 2rqa s PHE 547 Ca 0.08 0.17 -0.26 0.00 -0.60 0.00 0.00 56.93 56.31 2rqa s PHE 547 Cb -0.12 -0.30 -0.09 0.00 0.51 0.00 0.00 43.02 43.03 2rqa s PHE 547 CO 0.02 -0.86 1.07 -1.25 0.70 0.00 0.00 175.22 174.89 2rqa s PRO 548 N 2.43 4.37 0.24 0.24 0.04 -1.26 -3.63 135.00 137.43 2rqa s PRO 548 Ca 0.10 1.63 -0.05 0.00 0.04 0.00 0.00 61.00 62.72 2rqa s PRO 548 Cb -0.14 -2.82 0.45 0.00 0.04 0.00 0.00 34.50 32.03 2rqa s PRO 548 CO -0.27 0.01 1.70 -0.39 0.04 0.00 0.00 177.00 178.10 2rqa h VAL 549 N 2.57 0.58 -0.69 -0.36 -1.51 -1.86 0.85 116.25 115.83 2rqa h VAL 549 Ca -0.48 -0.11 0.20 0.00 -1.23 0.00 0.00 66.70 65.08 2rqa h VAL 549 Cb 1.21 0.22 -0.03 0.00 -2.13 0.00 0.00 31.29 30.56 2rqa h VAL 549 CO 0.64 0.06 0.50 1.05 -1.23 0.00 0.00 177.57 178.59 2rqa h GLU 550 N 0.33 0.03 0.00 5.19 4.11 -1.92 0.41 114.58 122.73 2rqa h GLU 550 Ca 0.41 -0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.59 2rqa h GLU 550 Cb 0.66 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 2rqa h GLU 550 CO -0.46 0.02 -1.46 0.45 0.07 0.00 0.00 179.01 177.63 2rqa h HIS 551 N 0.03 0.00 -3.36 2.06 3.86 0.16 -3.44 115.15 114.45 2rqa h HIS 551 Ca 0.33 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.94 2rqa h HIS 551 Cb 1.28 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 29.65 2rqa h HIS 551 CO -0.00 0.91 0.36 0.08 0.86 0.00 0.00 177.93 180.14 2rqa s VAL 552 N -2.69 4.89 -0.00 2.45 1.01 0.14 -4.18 120.40 122.01 2rqa s VAL 552 Ca -0.03 1.38 0.02 0.00 0.00 0.00 0.00 61.98 63.35 2rqa s VAL 552 Cb 0.08 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 2rqa s VAL 552 CO 0.82 -0.05 -0.01 -1.58 0.00 0.00 0.00 175.10 174.28 2rqa s GLN 553 N 2.73 2.75 -0.36 2.72 0.74 -1.09 -0.21 119.66 126.94 2rqa s GLN 553 Ca 0.32 -0.63 -0.23 0.00 0.05 0.00 0.00 55.36 54.87 2rqa s GLN 553 Cb -0.15 -2.64 0.01 0.00 1.10 0.00 0.00 33.01 31.32 2rqa s GLN 553 CO 0.08 0.62 0.78 -0.51 -0.55 0.00 0.00 175.29 175.71 2rqa s LEU 554 N -1.53 4.13 0.37 3.68 1.43 -0.62 -3.10 118.68 123.05 2rqa s LEU 554 Ca 0.19 0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.72 2rqa s LEU 554 Cb -0.11 -3.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.05 2rqa s LEU 554 CO 0.10 -0.72 0.18 -0.76 0.23 0.00 0.00 176.35 175.38 2rqa s LEU 555 N 3.08 1.87 -0.45 1.79 1.02 -0.89 0.35 118.68 125.45 2rqa s LEU 555 Ca 0.31 -1.69 -0.08 0.00 0.02 0.00 0.00 54.13 52.70 2rqa s LEU 555 Cb -0.13 0.13 0.11 0.00 0.02 0.00 0.00 46.19 46.32 2rqa s LEU 555 CO 0.16 -0.97 0.31 0.00 0.02 0.00 0.00 176.35 175.87 2rqa n ILE 557 N 4.86 -0.13 0.08 0.00 -5.35 -1.10 0.26 119.36 117.97 2rqa n ILE 557 Ca -0.07 1.27 -0.04 0.00 -0.27 0.00 0.00 62.75 63.63 2rqa n ILE 557 Cb 0.41 -2.09 -0.02 0.00 -1.74 0.00 0.00 39.64 36.20 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 -0.24 0.00 7.28 4.21 -1.92 -3.41 115.58 121.50 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 2.33 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 39.59 2rqa h ASN 558 CO -0.24 0.15 -0.00 0.00 -1.29 0.00 0.00 177.43 176.04 2rqa n MET 560 N -2.05 -0.15 -0.17 0.00 2.81 0.73 -4.87 117.12 113.41 2rqa n MET 560 Ca -0.00 0.02 0.06 0.00 -1.81 0.00 0.00 57.70 55.97 2rqa n MET 560 Cb 0.00 -2.57 0.14 0.00 -0.71 0.00 0.00 33.22 30.08 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 1.55 -1.95 2.03 0.24 -1.26 -4.84 118.33 112.44 2rqa n VAL 561 Ca -0.00 -1.54 0.00 0.00 -2.04 0.00 0.00 64.34 60.76 2rqa n VAL 561 Cb 0.50 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.00 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 -0.49 -2.28 0.48 2.33 0.00 -1.26 -4.95 120.51 114.33 2rqa n ALA 562 Ca 0.12 0.36 0.05 0.00 0.00 0.00 0.00 53.44 53.97 2rqa n ALA 562 Cb 0.55 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 18.90 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 1.34 0.00 -3.00 0.00 0.24 0.16 -4.94 118.33 112.13 2rqa n VAL 563 Ca 0.00 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 2rqa n VAL 563 Cb 0.00 1.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.47 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 0.97 0.75 3.26 7.63 0.00 -0.37 -4.61 105.19 112.82 2rqa n GLY 564 Ca 0.04 -0.60 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 2rqa n GLY 564 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2rqa s HIS 565 N -2.03 1.40 -1.43 1.61 2.46 -1.26 -1.58 115.29 114.46 2rqa s HIS 565 Ca 0.00 -0.61 0.28 0.00 0.47 0.00 0.00 55.06 55.20 2rqa s HIS 565 Cb 0.00 -0.71 1.42 0.00 -0.13 0.00 0.00 32.58 33.16 2rqa s HIS 565 CO 0.00 0.16 1.97 0.41 -2.47 0.00 0.00 174.74 174.81 2rqa n GLY 566 N 0.23 -1.22 0.83 1.59 0.00 0.71 -2.53 105.19 104.80 2rqa n GLY 566 Ca -0.13 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.83 2rqa n GLY 566 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rqa n SER 567 N -1.29 3.27 -0.05 1.61 2.88 -1.25 -4.37 113.62 114.41 2rqa n SER 567 Ca 0.13 -2.09 -0.06 0.00 -1.33 0.00 0.00 58.87 55.52 2rqa n SER 567 Cb 0.23 -0.32 -0.07 0.00 -0.75 0.00 0.00 64.21 63.30 2rqa n SER 567 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2rqa n ASP 568 N 0.68 2.83 -4.86 -3.46 8.00 -1.05 -5.01 116.55 113.68 2rqa n ASP 568 Ca 0.15 -0.03 -0.31 0.00 0.71 0.00 0.00 54.79 55.31 2rqa n ASP 568 Cb 0.52 0.37 0.01 0.00 -0.02 0.00 0.00 41.12 41.99 2rqa n ASP 568 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 2rqa s LEU 569 N -5.09 3.30 0.00 0.64 0.05 -1.20 -3.84 118.68 112.53 2rqa s LEU 569 Ca -0.09 1.48 0.01 0.00 0.05 0.00 0.00 54.13 55.58 2rqa s LEU 569 Cb 0.03 -4.48 -0.00 0.00 -2.05 0.00 0.00 46.19 39.69 2rqa s LEU 569 CO 0.34 -0.90 0.04 0.54 -0.55 0.00 0.00 176.35 175.82 2rqa n ARG 570 N -2.57 0.71 -3.77 1.48 1.74 -1.18 -4.65 116.66 108.43 2rqa n ARG 570 Ca 0.06 -0.76 -0.29 0.00 -0.77 0.00 0.00 57.85 56.10 2rqa n ARG 570 Cb 0.54 0.45 -0.16 0.00 -1.02 0.00 0.00 32.46 32.27 2rqa n ARG 570 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2rqa s LYS 571 N -2.33 0.82 -0.45 5.56 2.20 0.16 -3.33 119.74 122.37 2rqa s LYS 571 Ca 0.05 -0.65 -0.29 0.00 -0.36 0.00 0.00 55.97 54.72 2rqa s LYS 571 Cb 0.00 -2.16 0.03 0.00 -1.51 0.00 0.00 37.83 34.19 2rqa s LYS 571 CO 0.04 -0.71 1.15 0.08 -0.36 0.00 0.00 175.35 175.55 2rqa s VAL 572 N 1.73 4.23 -1.29 4.02 1.01 -1.25 -3.90 120.40 124.95 2rqa s VAL 572 Ca 0.00 1.28 -0.11 0.00 0.00 0.00 0.00 61.98 63.16 2rqa s VAL 572 Cb -0.17 -4.56 0.11 0.00 0.00 0.00 0.00 36.38 31.76 2rqa s VAL 572 CO -0.11 -0.92 0.27 -1.84 0.00 0.00 0.00 175.10 172.49 2rqa n GLU 573 N 7.73 -0.85 -3.87 2.72 0.28 -1.26 0.66 120.64 126.05 2rqa n GLU 573 Ca 0.12 0.09 -0.24 0.00 -0.16 0.00 0.00 57.16 56.97 2rqa n GLU 573 Cb 0.49 -3.13 -0.06 0.00 1.43 0.00 0.00 31.44 30.16 2rqa n GLU 573 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2rqa n GLY 574 N -1.40 -0.15 0.03 -1.84 0.00 -1.26 -4.76 105.19 95.82 2rqa n GLY 574 Ca -0.04 0.15 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.70 0.18 -3.27 2.61 -1.04 0.21 -5.03 114.28 104.24 2rqa n THR 575 Ca -0.23 -0.07 0.03 0.00 -2.04 0.00 0.00 64.05 61.74 2rqa n THR 575 Cb 0.51 -0.63 -0.02 0.00 -1.82 0.00 0.00 70.33 68.37 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 -2.06 -1.40 -0.08 -1.42 3.76 -1.23 -5.06 115.29 107.79 2rqa s HIS 576 Ca -0.04 1.71 -0.30 0.00 -0.15 0.00 0.00 55.06 56.29 2rqa s HIS 576 Cb 0.01 0.58 -0.06 0.00 1.11 0.00 0.00 32.58 34.22 2rqa s HIS 576 CO 0.07 -0.75 1.72 -1.01 -0.85 0.00 0.00 174.74 173.92 2rqa s HIS 577 N 2.86 1.86 -0.24 1.40 0.09 -1.26 -3.94 115.29 116.06 2rqa s HIS 577 Ca 0.12 0.17 0.02 0.00 -0.00 0.00 0.00 55.06 55.38 2rqa s HIS 577 Cb -0.13 -3.97 0.05 0.00 -0.00 0.00 0.00 32.58 28.52 2rqa s HIS 577 CO -0.19 -3.96 -0.13 0.14 -0.00 0.00 0.00 174.74 170.59 2rqa s VAL 578 N 4.49 2.11 -0.28 -0.90 -7.23 -1.21 -2.14 120.40 115.24 2rqa s VAL 578 Ca 0.77 -1.43 -0.29 0.00 -1.81 0.00 0.00 61.98 59.21 2rqa s VAL 578 Cb -0.33 -2.14 0.01 0.00 0.56 0.00 0.00 36.38 34.47 2rqa s VAL 578 CO 0.31 0.12 1.17 0.21 -0.31 0.00 0.00 175.10 176.61 2rqa s ASN 579 N 1.16 6.87 -0.19 4.85 3.04 -0.79 -3.11 114.94 126.78 2rqa s ASN 579 Ca -0.05 1.23 -0.18 0.00 0.04 0.00 0.00 52.86 53.90 2rqa s ASN 579 Cb -0.18 -2.54 -0.03 0.00 -1.54 0.00 0.00 41.25 36.95 2rqa s ASN 579 CO -0.07 -0.91 0.50 -0.69 -3.04 0.00 0.00 177.10 172.90 2rqa s VAL 580 N 3.81 5.13 -0.29 -5.21 1.01 -1.25 -4.04 120.40 119.55 2rqa s VAL 580 Ca 0.50 0.94 -0.22 0.00 0.00 0.00 0.00 61.98 63.21 2rqa s VAL 580 Cb -0.15 -3.83 0.17 0.00 0.00 0.00 0.00 36.38 32.56 2rqa s VAL 580 CO 0.17 0.21 1.21 0.20 0.00 0.00 0.00 175.10 176.88 2rqa s ASN 581 N 1.05 -0.25 0.14 3.32 -0.87 -1.26 -4.53 114.94 112.54 2rqa s ASN 581 Ca 0.24 0.45 -0.04 0.00 -1.57 0.00 0.00 52.86 51.94 2rqa s ASN 581 Cb -0.15 0.70 -0.06 0.00 -0.02 0.00 0.00 41.25 41.72 2rqa s ASN 581 CO 0.10 -0.08 1.34 1.55 -2.57 0.00 0.00 177.10 177.44 2rqa h PRO 582 N 4.36 0.44 0.00 -0.60 0.13 -1.97 -2.83 132.00 131.53 2rqa h PRO 582 Ca -0.27 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 2rqa h PRO 582 Cb 1.18 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2rqa h PRO 582 CO 0.17 1.08 0.00 0.09 -0.23 0.00 0.00 178.00 179.11 2rqa n ASN 583 N -3.79 0.00 0.06 1.44 4.13 -1.26 -2.67 115.26 113.17 2rqa n ASN 583 Ca -0.06 0.02 -0.07 0.00 1.68 0.00 0.00 54.58 56.14 2rqa n ASN 583 Cb 0.79 -0.30 0.08 0.00 -1.54 0.00 0.00 39.78 38.81 2rqa n ASN 583 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 2rqa h PHE 584 N 0.00 0.43 -0.17 3.10 3.57 -1.75 -2.85 116.94 119.27 2rqa h PHE 584 Ca 0.00 -0.17 0.05 0.00 3.53 0.00 0.00 57.97 61.38 2rqa h PHE 584 Cb 0.22 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 2rqa h PHE 584 CO 0.00 0.88 0.17 1.03 -2.23 0.00 0.00 178.31 178.16 2rqa h SER 585 N 0.24 0.00 1.10 0.41 0.87 -1.64 0.69 113.55 115.22 2rqa h SER 585 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 2rqa h SER 585 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2rqa h SER 585 CO 0.11 0.00 -0.65 0.78 -0.53 0.00 0.00 176.83 176.54 2rqa h ASN 586 N 0.00 0.00 -0.20 6.23 2.35 -1.70 -3.23 115.58 119.02 2rqa h ASN 586 Ca 0.08 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2rqa h ASN 586 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 2rqa h ASN 586 CO -0.00 0.05 0.00 -1.22 -1.65 0.00 0.00 177.43 174.61 2rqa n TYR 587 N -2.47 0.26 -3.48 1.19 4.01 0.23 -4.71 117.16 112.20 2rqa n TYR 587 Ca 0.02 -0.13 -0.10 0.00 -0.16 0.00 0.00 57.90 57.53 2rqa n TYR 587 Cb 0.49 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.50 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 -1.74 -0.44 -0.05 -0.72 -0.85 -0.77 -0.16 117.35 112.62 2rqa s TYR 588 Ca 0.33 0.33 0.01 0.00 -0.52 0.00 0.00 57.07 57.22 2rqa s TYR 588 Cb 0.18 0.53 0.02 0.00 0.38 0.00 0.00 41.96 43.08 2rqa s TYR 588 CO 0.26 -0.65 -0.04 -0.80 -1.52 0.00 0.00 175.55 172.80 2rqa s ASN 589 N -2.44 1.03 0.15 -0.18 0.01 -0.86 -4.68 114.94 107.97 2rqa s ASN 589 Ca 0.02 -0.13 -0.30 0.00 -0.71 0.00 0.00 52.86 51.74 2rqa s ASN 589 Cb -0.01 -0.45 -0.07 0.00 0.41 0.00 0.00 41.25 41.13 2rqa s ASN 589 CO -0.09 -0.07 1.22 -0.69 -1.51 0.00 0.00 177.10 175.96 2rqa s VAL 590 N 1.04 3.66 1.05 1.60 1.01 -1.26 -3.43 120.40 124.07 2rqa s VAL 590 Ca -0.09 1.31 -0.15 0.00 0.00 0.00 0.00 61.98 63.05 2rqa s VAL 590 Cb -0.14 -3.84 0.12 0.00 0.00 0.00 0.00 36.38 32.52 2rqa s VAL 590 CO -0.01 0.17 0.41 -0.24 0.00 0.00 0.00 175.10 175.43 2rqa n SER 591 N 3.03 -1.92 0.40 3.32 2.88 -0.46 -4.92 113.62 115.96 2rqa n SER 591 Ca 0.06 0.08 -0.18 0.00 -1.33 0.00 0.00 58.87 57.50 2rqa n SER 591 Cb 0.45 -1.14 -0.09 0.00 -0.75 0.00 0.00 64.21 62.68 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 -1.98 -1.06 -6.48 -1.46 3.08 -1.94 -3.44 114.38 101.10 2rqa h ARG 592 Ca -0.50 0.07 -0.55 0.00 0.07 0.00 0.00 59.98 59.07 2rqa h ARG 592 Cb 1.32 0.24 0.22 0.00 0.08 0.00 0.00 29.97 31.83 2rqa h ARG 592 CO 0.39 -0.71 -0.97 -0.25 -1.07 0.00 0.00 179.97 177.36 2rqa n ASP 593 N -5.23 -3.24 0.00 7.04 9.92 -1.26 -4.98 116.55 118.80 2rqa n ASP 593 Ca -0.14 0.34 0.00 0.00 -0.53 0.00 0.00 54.79 54.47 2rqa n ASP 593 Cb 0.46 -1.05 0.00 0.00 -0.64 0.00 0.00 41.12 39.88 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 -0.08 0.00 -4.40 -0.24 -0.04 -1.26 -4.75 135.00 124.22 2rqa n PRO 594 Ca 0.05 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.17 2rqa n PRO 594 Cb 0.53 -0.14 -0.12 0.00 -0.04 0.00 0.00 33.50 33.74 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 3.95 -0.45 0.52 1.01 -1.10 -3.44 120.40 120.89 2rqa s VAL 595 Ca 0.00 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.67 2rqa s VAL 595 Cb 0.00 -2.72 0.16 0.00 0.00 0.00 0.00 36.38 33.83 2rqa s VAL 595 CO 0.00 0.51 0.34 -0.69 0.00 0.00 0.00 175.10 175.26 2rqa s VAL 596 N 0.13 0.77 0.21 2.92 1.01 -1.26 -5.07 120.40 119.10 2rqa s VAL 596 Ca -0.01 -2.75 0.01 0.00 0.00 0.00 0.00 61.98 59.24 2rqa s VAL 596 Cb -0.14 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 2rqa s VAL 596 CO 0.03 -1.14 0.04 -0.63 0.00 0.00 0.00 175.10 173.40 2rqa s ILE 597 N 0.01 0.60 -0.12 2.22 -1.09 -1.26 -4.90 121.20 116.67 2rqa s ILE 597 Ca 0.28 -1.99 -0.07 0.00 -2.23 0.00 0.00 60.65 56.65 2rqa s ILE 597 Cb -0.03 -2.33 -0.02 0.00 -1.58 0.00 0.00 42.46 38.50 2rqa s ILE 597 CO -0.15 -0.28 -0.14 0.78 -1.23 0.00 0.00 174.94 173.93 2rqa h ASN 598 N 2.58 0.00 -1.89 3.58 4.21 -2.07 -3.48 115.58 118.50 2rqa h ASN 598 Ca -0.37 0.00 -0.47 0.00 1.21 0.00 0.00 56.30 56.67 2rqa h ASN 598 Cb 1.22 0.00 0.07 0.00 -1.12 0.00 0.00 38.32 38.49 2rqa h ASN 598 CO 0.62 0.63 0.04 -1.59 -1.29 0.00 0.00 177.43 175.84 2rqa s LYS 599 N -2.00 1.91 0.08 0.81 0.00 -1.26 -5.12 119.74 114.15 2rqa s LYS 599 Ca -0.11 -1.19 0.04 0.00 0.00 0.00 0.00 55.97 54.71 2rqa s LYS 599 Cb 0.02 -2.42 -0.03 0.00 0.00 0.00 0.00 37.83 35.40 2rqa s LYS 599 CO 0.17 -1.23 -0.11 0.08 0.00 0.00 0.00 175.35 174.25 2rqa s VAL 600 N -2.99 0.95 0.33 1.79 1.01 -1.26 -5.06 120.40 115.17 2rqa s VAL 600 Ca 0.64 -1.40 0.10 0.00 0.00 0.00 0.00 61.98 61.32 2rqa s VAL 600 Cb -0.06 -1.10 -0.06 0.00 0.00 0.00 0.00 36.38 35.16 2rqa s VAL 600 CO 0.42 -0.38 -0.07 -0.36 0.00 0.00 0.00 175.10 174.71 2rqa s PHE 601 N -1.75 2.45 -0.12 5.22 0.40 -1.26 -5.07 117.98 117.85 2rqa s PHE 601 Ca -0.00 -0.44 -0.08 0.00 -0.60 0.00 0.00 56.93 55.81 2rqa s PHE 601 Cb -0.07 -1.35 -0.05 0.00 0.51 0.00 0.00 43.02 42.06 2rqa s PHE 601 CO 0.01 0.57 -0.19 1.63 0.70 0.00 0.00 175.22 177.94 2rqa n LYS 602 N -0.82 0.31 -0.39 0.44 4.01 -1.26 -4.50 118.16 115.94 2rqa n LYS 602 Ca -0.05 0.13 0.38 0.00 -0.51 0.00 0.00 58.31 58.27 2rqa n LYS 602 Cb 0.62 -1.02 0.68 0.00 -0.51 0.00 0.00 35.03 34.81 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 -0.53 0.00 -5.06 4.39 5.19 -2.00 -3.40 116.42 115.00 2rqa h ASP 603 Ca -0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 2rqa h ASP 603 Cb 1.08 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 40.51 2rqa h ASP 603 CO -0.16 0.00 0.10 -1.66 -3.12 0.00 0.00 179.24 174.40 2rqa s TRP 604 N -4.72 -0.16 0.23 4.55 1.48 -1.26 -4.82 118.94 114.23 2rqa s TRP 604 Ca -0.04 -0.20 0.09 0.00 -1.06 0.00 0.00 56.10 54.88 2rqa s TRP 604 Cb 0.21 0.48 -0.04 0.00 -1.16 0.00 0.00 33.47 32.96 2rqa s TRP 604 CO 0.71 -1.00 -0.01 -1.59 -4.06 0.00 0.00 176.95 171.00 2rqa s LYS 605 N -3.88 2.31 0.94 3.25 -2.85 -0.84 -4.24 119.74 114.43 2rqa s LYS 605 Ca 0.10 -1.29 -0.13 0.00 -1.00 0.00 0.00 55.97 53.64 2rqa s LYS 605 Cb -0.02 -2.23 0.16 0.00 -2.06 0.00 0.00 37.83 33.67 2rqa s LYS 605 CO -0.01 0.40 1.15 -1.25 0.10 0.00 0.00 175.35 175.75 2rqa s PRO 606 N -3.34 0.88 0.00 1.78 0.04 -1.26 -0.97 135.00 132.13 2rqa s PRO 606 Ca 0.29 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.52 2rqa s PRO 606 Cb -0.08 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2rqa s PRO 606 CO 0.19 -2.35 0.00 0.41 0.04 0.00 0.00 177.00 175.29 2rqa n GLY 607 N -2.26 2.65 3.06 0.56 0.00 0.50 -4.49 105.19 105.22 2rqa n GLY 607 Ca 0.08 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.63 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 0.50 0.10 -0.02 0.00 -1.22 -2.71 107.32 103.97 2rqa s GLY 608 Ca 0.00 -0.69 -0.33 0.00 0.00 0.00 0.00 44.72 43.70 2rqa s GLY 608 CO 0.00 -0.73 1.74 -0.62 0.00 0.00 0.00 173.10 173.49 2rqa n VAL 609 N 1.72 0.24 -3.63 1.40 0.31 -1.26 0.60 118.33 117.71 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 0.55 -1.83 -0.05 0.00 -0.91 0.00 0.00 33.84 31.60 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 2.16 5.15 -0.14 2.52 1.01 0.35 -1.35 121.20 130.90 2rqa s ILE 610 Ca 0.82 0.36 -0.05 0.00 0.00 0.00 0.00 60.65 61.77 2rqa s ILE 610 Cb -0.60 -3.63 0.07 0.00 0.01 0.00 0.00 42.46 38.31 2rqa s ILE 610 CO 0.40 0.29 0.29 -0.94 0.00 0.00 0.00 174.94 174.98 2rqa s SER 611 N -1.79 0.14 -0.26 3.58 1.04 -1.22 -1.39 113.70 113.80 2rqa s SER 611 Ca 0.32 0.66 -0.40 0.00 0.48 0.00 0.00 55.95 57.02 2rqa s SER 611 Cb -0.14 0.77 -0.15 0.00 0.10 0.00 0.00 66.02 66.60 2rqa s SER 611 CO 0.18 -0.23 1.77 0.00 0.98 0.00 0.00 173.24 175.94 2rqa h ARG 613 N 7.48 0.00 -0.33 0.00 2.43 -0.84 1.40 114.38 124.52 2rqa h ARG 613 Ca -0.47 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.60 2rqa h ARG 613 Cb 1.31 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 2rqa h ARG 613 CO 0.96 0.29 -0.22 -0.91 -1.51 0.00 0.00 179.97 178.58 2rqa h ASN 614 N 0.00 0.63 0.00 -3.80 2.35 -1.87 -3.42 115.58 109.47 2rqa h ASN 614 Ca -0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 2rqa h ASN 614 Cb 0.78 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.98 2rqa h ASN 614 CO 0.04 0.85 0.00 0.00 -1.65 0.00 0.00 177.43 176.67 2rqa n GLY 616 N 2.94 0.52 3.45 0.00 0.00 0.48 -4.93 105.19 107.63 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 0.16 -1.65 1.61 4.07 -1.26 -3.93 120.64 119.64 2rqa n GLU 617 Ca 0.00 0.02 -0.55 0.00 -0.06 0.00 0.00 57.16 56.56 2rqa n GLU 617 Cb 0.00 -1.74 -0.07 0.00 -0.06 0.00 0.00 31.44 29.57 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 7.30 0.32 0.12 6.31 0.31 -1.26 -3.24 118.33 128.19 2rqa n VAL 618 Ca 0.59 -0.09 -0.23 0.00 -0.01 0.00 0.00 64.34 64.60 2rqa n VAL 618 Cb 0.07 -1.36 -0.15 0.00 -0.91 0.00 0.00 33.84 31.49 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 8.40 0.85 0.00 3.52 6.55 -1.51 -3.48 115.95 130.28 2rqa h TRP 619 Ca -0.42 -0.62 0.00 0.00 0.95 0.00 0.00 58.89 58.79 2rqa h TRP 619 Cb 1.32 -0.03 0.00 0.00 -0.86 0.00 0.00 29.16 29.58 2rqa h TRP 619 CO 0.82 1.55 0.00 0.41 -1.05 0.00 0.00 178.44 180.18 2rqa n GLY 620 N 1.73 -0.75 3.25 1.49 0.00 -1.18 -3.57 105.19 106.16 2rqa n GLY 620 Ca -0.18 0.26 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 1.14 -0.06 0.99 -0.00 -1.22 -0.50 118.68 119.04 2rqa s LEU 621 Ca 0.00 -0.62 -0.20 0.00 -0.00 0.00 0.00 54.13 53.31 2rqa s LEU 621 Cb 0.00 1.23 -0.04 0.00 -0.00 0.00 0.00 46.19 47.37 2rqa s LEU 621 CO 0.00 -0.78 0.58 -1.58 -0.00 0.00 0.00 176.35 174.57 2rqa s GLN 622 N -3.87 4.35 -0.05 1.48 0.74 0.20 -1.54 119.66 120.97 2rqa s GLN 622 Ca 0.06 0.67 -0.01 0.00 0.05 0.00 0.00 55.36 56.13 2rqa s GLN 622 Cb 0.04 -3.40 -0.04 0.00 1.10 0.00 0.00 33.01 30.71 2rqa s GLN 622 CO -0.09 0.22 0.03 -1.64 -0.55 0.00 0.00 175.29 173.25 2rqa s MET 623 N 0.36 2.97 -0.25 1.67 -1.94 0.79 0.19 119.30 123.09 2rqa s MET 623 Ca 0.31 -0.46 0.02 0.00 -1.71 0.00 0.00 55.69 53.85 2rqa s MET 623 Cb -0.17 -2.80 0.05 0.00 2.01 0.00 0.00 34.83 33.92 2rqa s MET 623 CO 0.15 0.68 -0.11 0.42 -0.01 0.00 0.00 175.02 176.15 2rqa s ILE 624 N -1.01 2.31 -0.24 2.53 1.09 -0.14 -0.77 121.20 124.97 2rqa s ILE 624 Ca 0.17 -1.45 0.02 0.00 -1.10 0.00 0.00 60.65 58.30 2rqa s ILE 624 Cb -0.12 -2.28 0.05 0.00 -1.06 0.00 0.00 42.46 39.05 2rqa s ILE 624 CO 0.07 0.07 -0.13 -0.47 -0.10 0.00 0.00 174.94 174.38 2rqa s TYR 625 N 1.17 3.15 -1.20 3.97 5.04 -1.05 -1.99 117.35 126.45 2rqa s TYR 625 Ca -0.06 -2.15 0.00 0.00 -2.44 0.00 0.00 57.07 52.43 2rqa s TYR 625 Cb -0.19 -1.93 0.00 0.00 0.35 0.00 0.00 41.96 40.19 2rqa s TYR 625 CO -0.06 -0.86 0.00 1.63 -1.34 0.00 0.00 175.55 174.92 2rqa n LYS 626 N 4.48 -1.18 -1.59 4.97 4.76 -1.26 -1.87 118.16 126.47 2rqa n LYS 626 Ca -0.16 0.86 0.00 0.00 -2.87 0.00 0.00 58.31 56.14 2rqa n LYS 626 Cb 0.44 -5.00 0.00 0.00 -1.84 0.00 0.00 35.03 28.63 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 -0.55 -1.27 -4.07 4.39 3.41 -1.26 -5.07 113.62 109.19 2rqa n SER 627 Ca -0.11 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.18 2rqa n SER 627 Cb 0.47 -0.32 -0.16 0.00 -0.26 0.00 0.00 64.21 63.94 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 -2.63 1.83 -0.67 -3.33 1.01 -0.78 -5.07 120.40 110.76 2rqa s VAL 628 Ca 0.00 -0.82 -0.27 0.00 0.00 0.00 0.00 61.98 60.89 2rqa s VAL 628 Cb 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.69 2rqa s VAL 628 CO 0.00 0.47 1.57 -0.54 0.00 0.00 0.00 175.10 176.61 2rqa s LYS 629 N 1.38 2.92 -0.22 2.72 -0.14 -1.26 -2.53 119.74 122.60 2rqa s LYS 629 Ca 0.04 0.21 0.01 0.00 -1.36 0.00 0.00 55.97 54.88 2rqa s LYS 629 Cb -0.13 -4.28 0.05 0.00 -1.68 0.00 0.00 37.83 31.79 2rqa s LYS 629 CO -0.12 -2.43 -0.08 -0.51 -0.76 0.00 0.00 175.35 171.45 2rqa s LEU 630 N 7.39 2.60 0.25 3.17 1.43 0.05 -4.84 118.68 128.73 2rqa s LEU 630 Ca 0.52 -1.09 -0.30 0.00 -1.03 0.00 0.00 54.13 52.23 2rqa s LEU 630 Cb -0.10 -1.27 -0.09 0.00 0.03 0.00 0.00 46.19 44.76 2rqa s LEU 630 CO 0.18 -0.19 1.09 -2.16 0.23 0.00 0.00 176.35 175.50 2rqa s PRO 631 N 1.34 4.64 -0.32 1.29 0.04 -1.26 -0.15 135.00 140.59 2rqa s PRO 631 Ca -0.04 1.77 -0.08 0.00 0.04 0.00 0.00 61.00 62.68 2rqa s PRO 631 Cb -0.18 -3.22 0.01 0.00 0.04 0.00 0.00 34.50 31.15 2rqa s PRO 631 CO -0.07 0.19 0.13 0.08 0.04 0.00 0.00 177.00 177.38 2rqa s VAL 632 N -0.92 4.26 0.44 -0.36 1.01 -0.59 -1.88 120.40 122.35 2rqa s VAL 632 Ca 0.46 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.82 2rqa s VAL 632 Cb -0.31 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2rqa s VAL 632 CO 0.39 -0.01 0.19 -0.76 0.00 0.00 0.00 175.10 174.91 2rqa s LEU 633 N 1.54 3.00 0.00 3.92 2.01 -0.91 -3.40 118.68 124.84 2rqa s LEU 633 Ca 0.03 -1.15 0.04 0.00 0.01 0.00 0.00 54.13 53.06 2rqa s LEU 633 Cb -0.18 -1.35 0.04 0.00 0.01 0.00 0.00 46.19 44.71 2rqa s LEU 633 CO 0.04 -0.63 0.30 0.29 1.01 0.00 0.00 176.35 177.36 2rqa n LYS 634 N -1.30 0.91 -0.01 1.70 5.02 -1.23 -4.44 118.16 118.81 2rqa n LYS 634 Ca -0.03 -1.37 0.07 0.00 -2.02 0.00 0.00 58.31 54.96 2rqa n LYS 634 Cb 0.65 -0.04 -0.11 0.00 -0.02 0.00 0.00 35.03 35.51 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 -1.41 0.03 0.15 -0.18 3.14 -1.26 -3.88 118.33 114.91 2rqa n VAL 635 Ca 0.05 -0.33 0.06 0.00 -2.96 0.00 0.00 64.34 61.16 2rqa n VAL 635 Cb 0.26 0.15 0.05 0.00 -1.06 0.00 0.00 33.84 33.24 2rqa n VAL 635 CO 0.00 0.00 0.00 0.08 -6.46 0.00 0.00 176.83 170.45 2rqa h ARG 636 N 0.00 0.00 -0.00 1.45 0.11 -1.66 -3.19 114.38 111.09 2rqa h ARG 636 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2rqa h ARG 636 Cb 0.69 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.77 2rqa h ARG 636 CO 0.00 0.27 -0.72 0.43 0.10 0.00 0.00 179.97 180.05 2rqa n SER 637 N -3.09 0.96 -4.58 0.08 7.64 -1.26 -4.81 113.62 108.56 2rqa n SER 637 Ca 0.01 -0.81 -0.34 0.00 1.01 0.00 0.00 58.87 58.74 2rqa n SER 637 Cb 0.67 0.63 -0.11 0.00 -1.01 0.00 0.00 64.21 64.39 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 -2.90 3.03 -0.09 1.43 -1.94 -1.20 -2.73 119.30 114.89 2rqa s MET 638 Ca 0.11 -0.51 -0.05 0.00 -1.71 0.00 0.00 55.69 53.53 2rqa s MET 638 Cb 0.17 -2.71 -0.04 0.00 2.01 0.00 0.00 34.83 34.26 2rqa s MET 638 CO 0.75 0.57 0.12 -1.17 -0.01 0.00 0.00 175.02 175.28 2rqa s LEU 639 N -0.53 4.24 -0.65 -0.03 2.96 0.97 -4.66 118.68 120.98 2rqa s LEU 639 Ca 0.08 0.38 -0.05 0.00 -0.22 0.00 0.00 54.13 54.33 2rqa s LEU 639 Cb -0.12 -2.13 0.17 0.00 0.50 0.00 0.00 46.19 44.61 2rqa s LEU 639 CO 0.02 0.37 0.49 -0.76 -1.32 0.00 0.00 176.35 175.16 2rqa s LEU 640 N -1.19 5.54 -0.08 -0.68 2.01 -0.62 -2.10 118.68 121.56 2rqa s LEU 640 Ca 0.17 -2.77 -0.30 0.00 0.01 0.00 0.00 54.13 51.24 2rqa s LEU 640 Cb -0.12 -1.93 -0.03 0.00 0.01 0.00 0.00 46.19 44.12 2rqa s LEU 640 CO 0.07 -0.42 1.24 -1.61 1.01 0.00 0.00 176.35 176.63 2rqa s GLU 641 N 0.06 4.31 0.15 1.70 2.02 -1.18 -1.44 118.70 124.32 2rqa s GLU 641 Ca 0.16 1.70 0.04 0.00 0.02 0.00 0.00 54.97 56.90 2rqa s GLU 641 Cb -0.19 -3.62 -0.04 0.00 0.10 0.00 0.00 34.13 30.38 2rqa s GLU 641 CO -0.04 -0.53 -0.10 0.95 0.02 0.00 0.00 175.26 175.56 2rqa s THR 642 N 2.60 1.14 -2.00 3.63 -4.23 -1.25 -2.69 115.64 112.84 2rqa s THR 642 Ca 0.56 -2.05 0.17 0.00 -1.18 0.00 0.00 61.69 59.19 2rqa s THR 642 Cb -0.24 -1.85 0.49 0.00 1.34 0.00 0.00 72.50 72.23 2rqa s THR 642 CO 0.20 -0.74 1.50 -0.81 -0.54 0.00 0.00 174.62 174.23 2rqa n PRO 643 N -0.19 0.75 0.00 3.99 -0.04 -1.26 -1.93 135.00 136.31 2rqa n PRO 643 Ca -0.10 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.39 2rqa n PRO 643 Cb 0.61 -1.36 -0.00 0.00 -0.04 0.00 0.00 33.50 32.71 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 -0.86 2.41 0.00 0.54 6.02 -1.26 -5.08 117.38 119.15 2rqa n GLN 644 Ca 0.13 -0.47 0.00 0.00 -0.01 0.00 0.00 57.00 56.64 2rqa n GLN 644 Cb 0.06 -0.98 0.00 0.00 1.02 0.00 0.00 30.24 30.34 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 0.78 4.04 3.68 1.08 0.00 -0.81 -5.09 105.19 108.85 2rqa n GLY 645 Ca 0.03 -1.38 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.94 1.03 -3.92 1.61 1.74 -1.26 -3.90 116.66 111.02 2rqa n ARG 646 Ca 0.00 0.40 -0.19 0.00 -0.77 0.00 0.00 57.85 57.29 2rqa n ARG 646 Cb 0.00 -2.37 -0.17 0.00 -1.02 0.00 0.00 32.46 28.90 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 -1.44 0.26 -0.20 0.55 1.01 -0.52 -4.94 121.20 115.93 2rqa s ILE 647 Ca 0.79 0.08 -0.00 0.00 0.00 0.00 0.00 60.65 61.52 2rqa s ILE 647 Cb -0.40 -0.37 0.05 0.00 0.01 0.00 0.00 42.46 41.75 2rqa s ILE 647 CO 0.43 0.19 -0.04 -1.58 0.00 0.00 0.00 174.94 173.94 2rqa s GLN 648 N 1.27 1.43 0.17 2.79 -0.44 -1.26 -1.59 119.66 122.02 2rqa s GLN 648 Ca -0.06 -0.71 0.08 0.00 -2.50 0.00 0.00 55.36 52.17 2rqa s GLN 648 Cb -0.13 -2.28 -0.04 0.00 -1.64 0.00 0.00 33.01 28.91 2rqa s GLN 648 CO -0.02 -0.53 -0.06 0.00 0.50 0.00 0.00 175.29 175.18 2rqa s ALA 649 N 1.56 3.05 -1.30 1.58 0.00 -1.26 -5.01 121.76 120.39 2rqa s ALA 649 Ca -0.02 -1.41 0.26 0.00 0.00 0.00 0.00 51.96 50.78 2rqa s ALA 649 Cb -0.17 -0.85 0.61 0.00 0.00 0.00 0.00 23.12 22.71 2rqa s ALA 649 CO -0.07 0.48 1.48 1.63 0.00 0.00 0.00 175.76 179.28 2rqa n LYS 650 N 0.02 0.33 -4.05 0.00 5.02 -1.26 -2.28 118.16 115.94 2rqa n LYS 650 Ca -0.10 -0.19 -0.09 0.00 -2.02 0.00 0.00 58.31 55.90 2rqa n LYS 650 Cb 0.55 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.96 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 -2.80 0.49 0.00 1.97 3.01 -1.26 -4.39 119.74 116.76 2rqa s LYS 651 Ca 0.16 -0.88 0.23 0.00 -1.01 0.00 0.00 55.97 54.47 2rqa s LYS 651 Cb 0.18 0.02 0.98 0.00 -1.01 0.00 0.00 37.83 38.01 2rqa s LYS 651 CO 0.63 -0.04 1.73 0.91 0.51 0.00 0.00 175.35 179.09 2rqa n TRP 652 N 1.01 0.00 0.27 3.18 7.02 -1.26 -2.59 117.44 125.06 2rqa n TRP 652 Ca -0.20 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.34 2rqa n TRP 652 Cb 0.57 -0.49 0.25 0.00 -2.42 0.00 0.00 31.31 29.21 2rqa n TRP 652 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2rqa n SER 653 N -1.49 0.14 -0.00 -0.99 2.88 -1.26 -0.72 113.62 112.17 2rqa n SER 653 Ca 0.06 0.55 0.07 0.00 -1.33 0.00 0.00 58.87 58.22 2rqa n SER 653 Cb 0.27 -0.57 -0.09 0.00 -0.75 0.00 0.00 64.21 63.06 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 -1.67 1.61 -1.31 -1.46 5.12 -1.07 -4.98 116.66 112.91 2rqa n ARG 654 Ca 0.02 -0.03 -0.61 0.00 -1.93 0.00 0.00 57.85 55.29 2rqa n ARG 654 Cb 0.10 -1.26 -0.12 0.00 -1.16 0.00 0.00 32.46 30.03 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 -1.52 0.01 0.11 1.55 0.31 0.10 -4.77 118.33 114.12 2rqa n VAL 655 Ca 0.01 -0.01 -0.03 0.00 -0.01 0.00 0.00 64.34 64.31 2rqa n VAL 655 Cb 0.28 -0.53 0.08 0.00 -0.91 0.00 0.00 33.84 32.75 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 8.65 0.00 -7.22 5.55 0.13 -1.90 -3.45 132.00 133.75 2rqa h PRO 656 Ca -0.14 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.51 2rqa h PRO 656 Cb 1.41 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.60 2rqa h PRO 656 CO 1.08 0.73 0.24 -0.59 -0.23 0.00 0.00 178.00 179.23 2rqa s PHE 657 N -3.30 3.27 0.27 1.56 -0.71 -1.24 -4.23 117.98 113.60 2rqa s PHE 657 Ca -0.00 0.75 -0.12 0.00 -1.04 0.00 0.00 56.93 56.52 2rqa s PHE 657 Cb 0.12 -2.84 -0.08 0.00 -1.21 0.00 0.00 43.02 39.00 2rqa s PHE 657 CO 0.78 -0.94 0.63 -1.12 -1.34 0.00 0.00 175.22 173.23 2rqa s SER 658 N -4.33 6.68 -0.28 1.98 0.01 -1.26 -4.98 113.70 111.52 2rqa s SER 658 Ca 0.55 1.07 -0.03 0.00 1.31 0.00 0.00 55.95 58.85 2rqa s SER 658 Cb -0.11 -2.29 0.11 0.00 0.21 0.00 0.00 66.02 63.94 2rqa s SER 658 CO 0.47 -0.14 0.17 -0.69 0.41 0.00 0.00 173.24 173.46 2rqa s VAL 659 N -1.90 -0.15 0.84 3.43 1.01 -1.26 -4.80 120.40 117.57 2rqa s VAL 659 Ca 0.50 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 2rqa s VAL 659 Cb -0.11 -0.95 0.10 0.00 0.00 0.00 0.00 36.38 35.42 2rqa s VAL 659 CO 0.20 -0.63 1.11 -2.16 0.00 0.00 0.00 175.10 173.62 2rqa s PRO 660 N 2.17 1.73 0.27 2.72 0.04 -1.26 -4.29 135.00 136.38 2rqa s PRO 660 Ca 0.09 0.50 -0.10 0.00 0.04 0.00 0.00 61.00 61.53 2rqa s PRO 660 Cb -0.16 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 2rqa s PRO 660 CO -0.34 -1.83 0.60 0.16 0.04 0.00 0.00 177.00 175.63 2rqa s ASP 661 N -3.96 6.60 0.96 6.66 -4.77 -1.25 0.39 116.67 121.30 2rqa s ASP 661 Ca 0.62 0.95 -0.14 0.00 -3.30 0.00 0.00 52.55 50.69 2rqa s ASP 661 Cb -0.14 -2.24 -0.00 0.00 -1.09 0.00 0.00 42.92 39.44 2rqa s ASP 661 CO 0.54 -0.15 0.17 0.33 0.70 0.00 0.00 175.17 176.75 2rqa n PHE 662 N -0.45 -2.20 -3.32 2.11 7.35 -1.26 -4.87 117.46 114.82 2rqa n PHE 662 Ca 0.01 0.18 -0.25 0.00 -0.76 0.00 0.00 57.45 56.62 2rqa n PHE 662 Cb 0.53 -1.71 -0.08 0.00 0.35 0.00 0.00 39.48 38.57 2rqa n PHE 662 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2rqa n ASP 663 N -0.37 1.34 -0.39 -2.13 4.64 -1.26 -4.95 116.55 113.43 2rqa n ASP 663 Ca 0.05 -2.91 0.32 0.00 -1.38 0.00 0.00 54.79 50.87 2rqa n ASP 663 Cb 0.54 -0.65 0.59 0.00 -1.04 0.00 0.00 41.12 40.57 2rqa n ASP 663 CO 0.00 0.00 0.00 0.15 -0.82 0.00 0.00 177.20 176.53 2rqa h PHE 664 N 4.32 0.67 -0.72 -0.67 3.57 -1.96 1.66 116.94 123.81 2rqa h PHE 664 Ca 0.14 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.69 2rqa h PHE 664 Cb 0.81 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 2rqa h PHE 664 CO 0.48 -0.23 0.45 -0.07 -2.23 0.00 0.00 178.31 176.71 2rqa h LEU 665 N 0.14 0.74 0.00 0.59 3.38 -1.97 0.48 115.31 118.68 2rqa h LEU 665 Ca 0.79 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.76 2rqa h LEU 665 Cb 2.26 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.85 2rqa h LEU 665 CO -0.51 0.51 -0.04 -0.61 0.09 0.00 0.00 178.44 177.88 2rqa h GLN 666 N 0.88 0.00 -0.71 1.13 5.75 0.17 -2.37 115.11 119.97 2rqa h GLN 666 Ca 0.29 0.00 0.12 0.00 -0.15 0.00 0.00 58.65 58.91 2rqa h GLN 666 Cb 0.02 0.00 -0.13 0.00 1.07 0.00 0.00 27.48 28.44 2rqa h GLN 666 CO -0.11 0.00 -0.32 1.25 -2.65 0.00 0.00 178.83 177.00 2rqa h HIS 667 N -0.79 -0.88 -0.45 3.99 2.76 0.00 1.68 115.15 121.47 2rqa h HIS 667 Ca 0.00 0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 2rqa h HIS 667 Cb 0.04 0.49 -0.02 0.00 1.55 0.00 0.00 27.41 29.47 2rqa h HIS 667 CO -0.02 -0.38 0.25 0.00 -1.30 0.00 0.00 177.93 176.48 2rqa n ALA 669 N -2.47 1.90 0.22 0.00 0.00 0.49 -1.32 120.51 119.35 2rqa n ALA 669 Ca 0.04 -0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2rqa n ALA 669 Cb 0.09 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.20 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 1.49 -0.01 0.00 1.02 0.31 -4.48 120.64 117.25 2rqa n GLU 670 Ca 0.04 -0.57 0.09 0.00 -0.02 0.00 0.00 57.16 56.70 2rqa n GLU 670 Cb 0.25 -0.99 -0.12 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 -0.13 0.96 -3.64 1.62 5.03 0.43 -4.98 115.26 114.55 2rqa n ASN 671 Ca 0.02 -0.26 -0.16 0.00 0.87 0.00 0.00 54.58 55.06 2rqa n ASN 671 Cb 0.12 1.57 0.09 0.00 -1.02 0.00 0.00 39.78 40.53 2rqa n ASN 671 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2rqa n LEU 672 N -1.90 0.00 -0.86 3.41 4.77 -0.43 -5.01 117.00 116.97 2rqa n LEU 672 Ca -0.01 -1.35 0.08 0.00 -0.03 0.00 0.00 56.01 54.70 2rqa n LEU 672 Cb 0.40 -0.46 0.19 0.00 -2.33 0.00 0.00 43.42 41.22 2rqa n LEU 672 CO 0.36 -0.87 0.66 -1.20 -1.33 0.00 0.00 177.39 175.01 2rqa n SER 673 N -3.02 3.17 0.31 -1.43 7.64 -1.26 -4.45 113.62 114.58 2rqa n SER 673 Ca 0.11 -1.95 0.18 0.00 1.01 0.00 0.00 58.87 58.22 2rqa n SER 673 Cb 0.39 -0.28 0.97 0.00 -1.01 0.00 0.00 64.21 64.28 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 2.89 0.00 0.37 6.43 1.82 -1.93 -1.65 116.42 124.34 2rqa h ASP 674 Ca 0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.62 2rqa h ASP 674 Cb 0.80 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.82 2rqa h ASP 674 CO 0.00 0.00 -0.18 -0.07 -1.61 0.00 0.00 179.24 177.38 2rqa h LEU 675 N 0.00 -0.42 -7.68 2.28 -0.00 -1.83 -3.49 115.31 104.17 2rqa h LEU 675 Ca 0.02 0.00 0.20 0.00 -0.00 0.00 0.00 57.88 58.10 2rqa h LEU 675 Cb 0.41 0.11 -0.07 0.00 -0.00 0.00 0.00 40.66 41.10 2rqa h LEU 675 CO -0.00 0.02 0.57 -0.94 -0.00 0.00 0.00 178.44 178.09 2rqa s SER 676 N -4.99 -0.11 -0.09 -0.43 1.04 -0.62 -5.08 113.70 103.42 2rqa s SER 676 Ca -0.08 -0.44 -0.05 0.00 0.48 0.00 0.00 55.95 55.87 2rqa s SER 676 Cb 0.01 0.44 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 2rqa s SER 676 CO 0.23 -0.83 -0.12 0.18 0.98 0.00 0.00 173.24 173.68 2rqa n LEU 677 N -0.54 0.67 0.00 2.42 7.99 -1.26 -4.70 117.00 121.57 2rqa n LEU 677 Ca -0.05 0.11 0.00 0.00 -0.01 0.00 0.00 56.01 56.06 2rqa n LEU 677 Cb 0.61 -0.27 0.00 0.00 -0.11 0.00 0.00 43.42 43.64 2rqa n LEU 677 CO 0.15 0.16 0.20 -0.67 -1.51 0.00 0.00 177.39 175.73