#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 0.84 0.55 1.61 0.04 -1.26 -5.05 135.00 131.73 2rqa s PRO 543 Ca 0.00 0.17 -0.10 0.00 0.04 0.00 0.00 61.00 61.12 2rqa s PRO 543 Cb 0.00 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 2rqa s PRO 543 CO 0.00 -2.38 0.93 -1.01 0.04 0.00 0.00 177.00 174.58 2rqa s HIS 544 N -3.32 3.58 -1.28 0.56 3.76 -1.26 -4.97 115.29 112.36 2rqa s HIS 544 Ca 0.66 1.13 -0.08 0.00 -0.15 0.00 0.00 55.06 56.62 2rqa s HIS 544 Cb -0.13 -2.57 0.17 0.00 1.11 0.00 0.00 32.58 31.16 2rqa s HIS 544 CO 0.53 -0.48 1.99 -1.33 -0.85 0.00 0.00 174.74 174.61 2rqa n MET 545 N -2.37 3.98 -3.84 1.40 2.81 -1.26 -4.95 117.12 112.88 2rqa n MET 545 Ca 0.04 -3.59 -0.23 0.00 -1.81 0.00 0.00 57.70 52.11 2rqa n MET 545 Cb 0.54 -2.81 -0.05 0.00 -0.71 0.00 0.00 33.22 30.19 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 -0.33 2.38 -0.35 0.03 -0.21 -1.26 -5.12 119.66 114.80 2rqa s GLN 546 Ca 0.43 -1.68 0.07 0.00 0.02 0.00 0.00 55.36 54.19 2rqa s GLN 546 Cb 0.12 -2.18 0.19 0.00 1.00 0.00 0.00 33.01 32.14 2rqa s GLN 546 CO -0.02 -0.15 0.61 -0.06 -2.12 0.00 0.00 175.29 173.56 2rqa s PHE 547 N -2.53 -1.79 0.16 0.91 0.40 -1.26 -5.08 117.98 108.79 2rqa s PHE 547 Ca 0.45 0.66 -0.30 0.00 -0.60 0.00 0.00 56.93 57.13 2rqa s PHE 547 Cb 0.00 0.32 -0.07 0.00 0.51 0.00 0.00 43.02 43.78 2rqa s PHE 547 CO 0.25 -1.13 1.12 -1.25 0.70 0.00 0.00 175.22 174.92 2rqa s PRO 548 N 2.32 4.56 0.30 0.24 0.04 -1.26 -3.85 135.00 137.35 2rqa s PRO 548 Ca 0.13 1.74 0.05 0.00 0.04 0.00 0.00 61.00 62.97 2rqa s PRO 548 Cb -0.07 -3.28 0.77 0.00 0.04 0.00 0.00 34.50 31.96 2rqa s PRO 548 CO -0.16 0.01 1.70 -0.39 0.04 0.00 0.00 177.00 178.20 2rqa h VAL 549 N 3.84 0.48 -0.80 -0.36 -1.51 -1.88 1.02 116.25 117.05 2rqa h VAL 549 Ca -0.44 -0.15 0.13 0.00 -1.23 0.00 0.00 66.70 65.01 2rqa h VAL 549 Cb 1.21 0.01 -0.06 0.00 -2.13 0.00 0.00 31.29 30.32 2rqa h VAL 549 CO 0.74 0.08 0.52 1.05 -1.23 0.00 0.00 177.57 178.73 2rqa h GLU 550 N 0.44 0.54 0.00 5.19 4.11 -1.91 0.61 114.58 123.56 2rqa h GLU 550 Ca 0.58 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.98 2rqa h GLU 550 Cb 1.11 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2rqa h GLU 550 CO -0.52 0.36 -0.16 0.45 0.07 0.00 0.00 179.01 179.21 2rqa h HIS 551 N 0.56 0.00 -3.28 2.06 3.86 0.65 -3.44 115.15 115.57 2rqa h HIS 551 Ca 0.39 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 59.01 2rqa h HIS 551 Cb 0.71 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 29.09 2rqa h HIS 551 CO -0.00 0.00 -0.33 0.08 0.86 0.00 0.00 177.93 178.54 2rqa s VAL 552 N -3.18 5.30 -0.03 2.45 1.01 0.21 -4.21 120.40 121.95 2rqa s VAL 552 Ca 0.08 0.55 0.07 0.00 0.00 0.00 0.00 61.98 62.67 2rqa s VAL 552 Cb 0.09 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.82 2rqa s VAL 552 CO 0.66 0.40 -0.23 -1.58 0.00 0.00 0.00 175.10 174.34 2rqa s GLN 553 N 0.41 2.24 -0.36 2.72 0.74 -1.22 -1.30 119.66 122.89 2rqa s GLN 553 Ca 0.17 -0.87 -0.28 0.00 0.05 0.00 0.00 55.36 54.43 2rqa s GLN 553 Cb -0.13 -2.13 0.02 0.00 1.10 0.00 0.00 33.01 31.87 2rqa s GLN 553 CO 0.04 0.56 1.02 -0.51 -0.55 0.00 0.00 175.29 175.84 2rqa s LEU 554 N -0.60 3.92 0.39 3.68 1.43 -0.42 -3.06 118.68 124.03 2rqa s LEU 554 Ca 0.09 0.77 0.05 0.00 -1.03 0.00 0.00 54.13 54.02 2rqa s LEU 554 Cb -0.10 -3.42 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 2rqa s LEU 554 CO -0.00 -0.92 0.20 -0.76 0.23 0.00 0.00 176.35 175.10 2rqa s LEU 555 N 3.67 1.91 -0.45 1.79 1.02 -0.96 0.50 118.68 126.16 2rqa s LEU 555 Ca 0.42 -1.76 -0.10 0.00 0.02 0.00 0.00 54.13 52.72 2rqa s LEU 555 Cb -0.11 0.18 0.10 0.00 0.02 0.00 0.00 46.19 46.38 2rqa s LEU 555 CO 0.19 -1.03 0.32 0.00 0.02 0.00 0.00 176.35 175.85 2rqa n ILE 557 N 4.93 -0.15 0.08 0.00 -5.35 -1.13 0.29 119.36 118.02 2rqa n ILE 557 Ca -0.09 1.25 -0.04 0.00 -0.27 0.00 0.00 62.75 63.61 2rqa n ILE 557 Cb 0.42 -2.06 -0.02 0.00 -1.74 0.00 0.00 39.64 36.24 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 -0.21 0.04 7.28 4.21 -1.92 -3.41 115.58 121.57 2rqa h ASN 558 Ca 0.64 0.01 -0.00 0.00 1.21 0.00 0.00 56.30 58.15 2rqa h ASN 558 Cb 2.13 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 39.39 2rqa h ASN 558 CO -0.28 0.09 -0.02 0.00 -1.29 0.00 0.00 177.43 175.92 2rqa n MET 560 N -2.57 -1.07 0.00 0.00 2.81 0.85 -4.87 117.12 112.27 2rqa n MET 560 Ca -0.01 0.12 0.06 0.00 -1.81 0.00 0.00 57.70 56.07 2rqa n MET 560 Cb 0.02 -2.99 0.05 0.00 -0.71 0.00 0.00 33.22 29.59 2rqa n MET 560 CO 0.00 0.00 0.00 1.33 1.51 0.00 0.00 175.97 178.81 2rqa n VAL 561 N -2.23 0.00 -0.95 2.03 0.24 -1.26 -4.83 118.33 111.32 2rqa n VAL 561 Ca -0.02 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 2rqa n VAL 561 Cb 0.52 1.26 0.00 0.00 -1.47 0.00 0.00 33.84 34.14 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 0.68 -2.46 0.78 2.33 0.00 -1.26 -4.98 120.51 115.59 2rqa n ALA 562 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.59 2rqa n ALA 562 Cb 0.31 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.69 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 0.42 0.00 -3.21 0.00 0.24 0.18 -4.93 118.33 111.04 2rqa n VAL 563 Ca 0.00 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 2rqa n VAL 563 Cb 0.00 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 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 1.34 0.81 3.28 7.63 0.00 0.15 -4.71 105.19 113.69 2rqa n GLY 564 Ca 0.04 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 2rqa n GLY 564 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2rqa s HIS 565 N -2.28 2.13 -1.53 1.61 0.09 -1.26 -1.30 115.29 112.75 2rqa s HIS 565 Ca 0.00 -0.40 0.17 0.00 -0.00 0.00 0.00 55.06 54.82 2rqa s HIS 565 Cb 0.00 -1.35 0.86 0.00 -0.00 0.00 0.00 32.58 32.09 2rqa s HIS 565 CO 0.00 -0.01 1.47 0.41 -0.00 0.00 0.00 174.74 176.61 2rqa n GLY 566 N 2.37 -0.77 0.29 -2.22 0.00 -0.42 -1.47 105.19 102.97 2rqa n GLY 566 Ca -0.16 -0.08 0.03 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.23 2.46 -0.00 1.61 3.41 -1.24 -4.43 113.62 114.20 2rqa n SER 567 Ca 0.09 -2.08 0.03 0.00 -0.26 0.00 0.00 58.87 56.64 2rqa n SER 567 Cb 0.12 -0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 63.90 2rqa n SER 567 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2rqa n ASP 568 N -0.13 0.93 -4.90 4.04 8.00 -0.54 -4.97 116.55 118.97 2rqa n ASP 568 Ca 0.06 -0.52 -0.28 0.00 0.71 0.00 0.00 54.79 54.76 2rqa n ASP 568 Cb 0.36 1.06 -0.01 0.00 -0.02 0.00 0.00 41.12 42.51 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 -2.51 3.73 -0.23 0.64 0.05 -1.15 -3.80 118.68 115.41 2rqa s LEU 569 Ca 0.01 0.95 -0.19 0.00 0.05 0.00 0.00 54.13 54.96 2rqa s LEU 569 Cb 0.05 -3.87 0.06 0.00 -2.05 0.00 0.00 46.19 40.37 2rqa s LEU 569 CO 0.25 -0.49 0.60 -0.13 -0.55 0.00 0.00 176.35 176.03 2rqa s ARG 570 N -4.39 0.67 0.62 1.48 0.52 -0.48 -4.39 118.95 112.98 2rqa s ARG 570 Ca 0.48 0.90 -0.12 0.00 -0.52 0.00 0.00 55.73 56.47 2rqa s ARG 570 Cb -0.10 0.27 -0.03 0.00 0.52 0.00 0.00 34.95 35.60 2rqa s ARG 570 CO 0.40 -0.10 1.03 -1.59 0.02 0.00 0.00 175.30 175.06 2rqa s LYS 571 N 0.67 3.44 -0.15 3.54 -2.85 0.91 -2.08 119.74 123.22 2rqa s LYS 571 Ca -0.03 0.87 -0.12 0.00 -1.00 0.00 0.00 55.97 55.70 2rqa s LYS 571 Cb -0.05 -2.06 -0.05 0.00 -2.06 0.00 0.00 37.83 33.62 2rqa s LYS 571 CO -0.04 -0.70 0.24 0.08 0.10 0.00 0.00 175.35 175.03 2rqa s VAL 572 N -3.00 5.34 -1.55 1.79 1.01 0.13 0.20 120.40 124.31 2rqa s VAL 572 Ca 0.57 0.43 -0.13 0.00 0.00 0.00 0.00 61.98 62.85 2rqa s VAL 572 Cb -0.12 -3.56 0.13 0.00 0.00 0.00 0.00 36.38 32.83 2rqa s VAL 572 CO 0.50 0.46 0.33 -1.84 0.00 0.00 0.00 175.10 174.54 2rqa n GLU 573 N 3.15 -0.82 -4.13 2.72 0.28 -1.26 0.68 120.64 121.25 2rqa n GLU 573 Ca -0.14 0.11 -0.35 0.00 -0.16 0.00 0.00 57.16 56.61 2rqa n GLU 573 Cb 0.52 -3.78 -0.04 0.00 1.43 0.00 0.00 31.44 29.58 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 -1.53 -0.44 0.22 -1.84 0.00 -1.26 -4.82 105.19 95.52 2rqa n GLY 574 Ca -0.05 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -4.68 0.00 -3.95 2.61 -1.04 0.21 -5.12 114.28 102.31 2rqa n THR 575 Ca -0.24 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.48 2rqa n THR 575 Cb 0.64 -0.18 -0.04 0.00 -1.82 0.00 0.00 70.33 68.94 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 -0.13 3.45 -0.09 -1.42 3.76 -1.22 -4.88 115.29 114.75 2rqa s HIS 576 Ca 0.00 0.18 -0.21 0.00 -0.15 0.00 0.00 55.06 54.88 2rqa s HIS 576 Cb 0.00 -1.70 -0.04 0.00 1.11 0.00 0.00 32.58 31.95 2rqa s HIS 576 CO 0.00 0.56 0.58 -1.01 -0.85 0.00 0.00 174.74 174.02 2rqa s HIS 577 N -1.57 3.55 -0.15 1.40 3.76 -1.26 0.20 115.29 121.21 2rqa s HIS 577 Ca 0.34 1.06 -0.04 0.00 -0.15 0.00 0.00 55.06 56.27 2rqa s HIS 577 Cb -0.12 -2.67 0.05 0.00 1.11 0.00 0.00 32.58 30.96 2rqa s HIS 577 CO 0.27 0.14 0.06 0.14 -0.85 0.00 0.00 174.74 174.50 2rqa s VAL 578 N 0.66 0.14 -0.47 -0.90 -7.23 -0.88 -3.79 120.40 107.93 2rqa s VAL 578 Ca 0.31 -0.19 -0.29 0.00 -1.81 0.00 0.00 61.98 60.01 2rqa s VAL 578 Cb -0.16 -0.66 0.03 0.00 0.56 0.00 0.00 36.38 36.15 2rqa s VAL 578 CO 0.14 -0.15 1.11 0.21 -0.31 0.00 0.00 175.10 176.10 2rqa s ASN 579 N 2.04 6.62 0.10 4.85 3.04 -1.23 -1.38 114.94 128.98 2rqa s ASN 579 Ca 0.02 0.43 -0.24 0.00 0.04 0.00 0.00 52.86 53.11 2rqa s ASN 579 Cb -0.15 -2.54 -0.07 0.00 -1.54 0.00 0.00 41.25 36.95 2rqa s ASN 579 CO -0.08 -1.22 0.72 -0.69 -3.04 0.00 0.00 177.10 172.79 2rqa s VAL 580 N 4.35 4.58 0.00 -5.21 1.01 -1.25 -4.19 120.40 119.69 2rqa s VAL 580 Ca 0.46 1.55 0.00 0.00 0.00 0.00 0.00 61.98 63.99 2rqa s VAL 580 Cb -0.08 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2rqa s VAL 580 CO 0.31 0.48 0.00 0.59 0.00 0.00 0.00 175.10 176.48 2rqa n ASN 581 N 2.01 0.00 0.06 3.32 3.02 -1.26 -4.55 115.26 117.86 2rqa n ASN 581 Ca -0.06 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.38 2rqa n ASN 581 Cb 0.50 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.65 2rqa n ASN 581 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2rqa h PRO 582 N 0.00 0.37 0.00 3.52 0.13 -1.96 -2.81 132.00 131.25 2rqa h PRO 582 Ca 0.00 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2rqa h PRO 582 Cb 0.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 2rqa h PRO 582 CO 0.00 1.03 0.00 0.09 -0.23 0.00 0.00 178.00 178.89 2rqa n ASN 583 N -3.76 0.00 0.10 1.44 3.02 -1.26 -3.08 115.26 111.72 2rqa n ASN 583 Ca -0.05 -0.69 -0.03 0.00 -0.03 0.00 0.00 54.58 53.78 2rqa n ASN 583 Cb 0.78 -0.08 0.16 0.00 -0.61 0.00 0.00 39.78 40.03 2rqa n ASN 583 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2rqa h PHE 584 N 0.00 0.21 -0.03 3.10 3.57 -1.78 -2.71 116.94 119.30 2rqa h PHE 584 Ca 0.00 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.43 2rqa h PHE 584 Cb 0.08 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 2rqa h PHE 584 CO 0.00 0.70 0.05 1.03 -2.23 0.00 0.00 178.31 177.86 2rqa h SER 585 N 0.13 0.00 1.00 0.41 0.87 -1.70 0.59 113.55 114.84 2rqa h SER 585 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2rqa h SER 585 Cb 1.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.01 2rqa h SER 585 CO 0.08 0.00 -0.58 0.78 -0.53 0.00 0.00 176.83 176.59 2rqa h ASN 586 N 0.00 0.00 -0.23 6.23 -0.26 -1.71 -3.23 115.58 116.38 2rqa h ASN 586 Ca 0.02 -0.16 0.00 0.00 -0.56 0.00 0.00 56.30 55.60 2rqa h ASN 586 Cb 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.38 2rqa h ASN 586 CO -0.00 0.08 0.00 -1.22 -1.06 0.00 0.00 177.43 175.23 2rqa n TYR 587 N -2.24 0.30 -3.63 1.19 4.01 0.20 -4.81 117.16 112.18 2rqa n TYR 587 Ca 0.03 -0.15 -0.08 0.00 -0.16 0.00 0.00 57.90 57.55 2rqa n TYR 587 Cb 0.46 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.47 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 -1.70 -0.30 -0.10 -0.72 -0.85 -0.87 -0.34 117.35 112.47 2rqa s TYR 588 Ca 0.35 0.03 -0.01 0.00 -0.52 0.00 0.00 57.07 56.91 2rqa s TYR 588 Cb 0.20 0.61 0.03 0.00 0.38 0.00 0.00 41.96 43.18 2rqa s TYR 588 CO 0.29 -0.85 -0.02 -0.80 -1.52 0.00 0.00 175.55 172.65 2rqa s ASN 589 N -2.77 1.94 0.60 -0.18 0.02 -1.06 -4.69 114.94 108.80 2rqa s ASN 589 Ca 0.07 -0.24 -0.16 0.00 -1.02 0.00 0.00 52.86 51.51 2rqa s ASN 589 Cb -0.02 -0.61 -0.03 0.00 0.02 0.00 0.00 41.25 40.61 2rqa s ASN 589 CO -0.03 -0.18 1.08 -0.69 0.02 0.00 0.00 177.10 177.30 2rqa s VAL 590 N 1.86 3.59 0.43 1.60 1.01 -1.26 -3.77 120.40 123.86 2rqa s VAL 590 Ca 0.04 0.79 -0.25 0.00 0.00 0.00 0.00 61.98 62.57 2rqa s VAL 590 Cb -0.13 -3.30 -0.08 0.00 0.00 0.00 0.00 36.38 32.87 2rqa s VAL 590 CO -0.07 -0.41 1.27 -0.94 0.00 0.00 0.00 175.10 174.96 2rqa s SER 591 N -2.55 6.19 0.00 3.32 1.04 -0.86 -4.95 113.70 115.88 2rqa s SER 591 Ca 0.66 2.57 0.00 0.00 0.48 0.00 0.00 55.95 59.65 2rqa s SER 591 Cb -0.18 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.31 2rqa s SER 591 CO 0.35 -0.93 0.37 -2.11 0.98 0.00 0.00 173.24 171.91 2rqa n ARG 592 N -0.13 0.00 -1.22 4.02 1.85 -1.26 -4.50 116.66 115.42 2rqa n ARG 592 Ca 0.05 0.37 -0.38 0.00 -1.00 0.00 0.00 57.85 56.89 2rqa n ARG 592 Cb 0.45 -0.80 0.01 0.00 -1.05 0.00 0.00 32.46 31.07 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 -0.81 -3.74 0.00 2.89 9.92 -1.26 -4.95 116.55 118.59 2rqa n ASP 593 Ca 0.00 0.63 0.00 0.00 -0.53 0.00 0.00 54.79 54.89 2rqa n ASP 593 Cb 0.00 -0.84 0.00 0.00 -0.64 0.00 0.00 41.12 39.64 2rqa n ASP 593 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2rqa n PRO 594 N 1.54 0.00 -3.98 -0.24 -0.04 -1.26 -4.89 135.00 126.13 2rqa n PRO 594 Ca 0.07 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.19 2rqa n PRO 594 Cb 0.47 -0.15 -0.10 0.00 -0.04 0.00 0.00 33.50 33.68 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 4.75 -0.45 0.52 1.01 -1.26 -4.01 120.40 120.95 2rqa s VAL 595 Ca 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 61.98 2rqa s VAL 595 Cb 0.00 -3.15 0.17 0.00 0.00 0.00 0.00 36.38 33.40 2rqa s VAL 595 CO 0.00 0.45 0.36 -0.69 0.00 0.00 0.00 175.10 175.22 2rqa s VAL 596 N 0.50 0.73 0.02 2.92 1.01 -1.26 -5.10 120.40 119.23 2rqa s VAL 596 Ca 0.03 -2.88 -0.04 0.00 0.00 0.00 0.00 61.98 59.09 2rqa s VAL 596 Cb -0.13 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 2rqa s VAL 596 CO 0.01 -1.19 0.07 -0.63 0.00 0.00 0.00 175.10 173.35 2rqa s ILE 597 N -0.15 0.12 -0.00 2.22 1.01 -1.26 -5.07 121.20 118.07 2rqa s ILE 597 Ca 0.31 -0.97 -0.24 0.00 0.00 0.00 0.00 60.65 59.75 2rqa s ILE 597 Cb 0.02 -0.63 -0.14 0.00 0.01 0.00 0.00 42.46 41.71 2rqa s ILE 597 CO -0.19 -0.53 1.06 -1.13 0.00 0.00 0.00 174.94 174.15 2rqa h ASN 598 N 4.07 -0.53 -5.44 3.58 -0.73 -2.06 -3.46 115.58 111.02 2rqa h ASN 598 Ca -0.32 -0.08 -0.33 0.00 1.87 0.00 0.00 56.30 57.44 2rqa h ASN 598 Cb 1.19 0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.92 2rqa h ASN 598 CO 0.46 -0.13 -0.08 2.29 -0.37 0.00 0.00 177.43 179.59 2rqa n LYS 599 N -5.22 0.82 -4.05 6.67 0.00 -1.26 -5.15 118.16 109.97 2rqa n LYS 599 Ca -0.10 -2.04 -0.08 0.00 -0.00 0.00 0.00 58.31 56.08 2rqa n LYS 599 Cb 0.30 -0.03 -0.10 0.00 -0.00 0.00 0.00 35.03 35.19 2rqa n LYS 599 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2rqa s VAL 600 N -1.42 0.23 0.39 0.58 1.01 -1.26 -4.99 120.40 114.94 2rqa s VAL 600 Ca 0.33 -1.41 0.07 0.00 0.00 0.00 0.00 61.98 60.97 2rqa s VAL 600 Cb -0.03 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 2rqa s VAL 600 CO 0.21 -0.75 0.47 -0.36 0.00 0.00 0.00 175.10 174.67 2rqa s PHE 601 N -2.74 2.88 -0.07 5.22 0.40 -1.26 -5.07 117.98 117.34 2rqa s PHE 601 Ca -0.03 -0.36 -0.10 0.00 -0.60 0.00 0.00 56.93 55.84 2rqa s PHE 601 Cb -0.01 -2.16 -0.03 0.00 0.51 0.00 0.00 43.02 41.33 2rqa s PHE 601 CO -0.05 -0.18 -0.19 1.63 0.70 0.00 0.00 175.22 177.13 2rqa n LYS 602 N -1.67 0.29 -0.37 0.44 4.01 -1.26 -4.50 118.16 115.10 2rqa n LYS 602 Ca 0.04 0.12 0.38 0.00 -0.51 0.00 0.00 58.31 58.33 2rqa n LYS 602 Cb 0.59 -0.99 0.67 0.00 -0.51 0.00 0.00 35.03 34.79 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 -0.56 0.00 -5.11 4.39 3.32 -1.99 -3.41 116.42 113.06 2rqa h ASP 603 Ca 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 2rqa h ASP 603 Cb 0.56 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 2rqa h ASP 603 CO 0.00 0.00 0.18 -1.66 -1.72 0.00 0.00 179.24 176.04 2rqa s TRP 604 N -4.71 0.35 0.19 4.55 -2.14 -1.26 -4.92 118.94 111.00 2rqa s TRP 604 Ca -0.04 -0.95 0.11 0.00 2.66 0.00 0.00 56.10 57.88 2rqa s TRP 604 Cb 0.20 0.66 -0.04 0.00 -3.10 0.00 0.00 33.47 31.19 2rqa s TRP 604 CO 0.69 -1.51 -0.23 -1.59 -2.66 0.00 0.00 176.95 171.65 2rqa s LYS 605 N -2.32 1.47 0.23 3.25 0.00 0.25 -3.99 119.74 118.63 2rqa s LYS 605 Ca 0.19 -1.51 -0.30 0.00 0.00 0.00 0.00 55.97 54.35 2rqa s LYS 605 Cb -0.04 -1.73 -0.09 0.00 0.00 0.00 0.00 37.83 35.97 2rqa s LYS 605 CO 0.14 0.37 1.10 -1.25 0.00 0.00 0.00 175.35 175.71 2rqa s PRO 606 N -2.73 4.62 0.00 1.78 0.04 -1.26 -2.20 135.00 135.25 2rqa s PRO 606 Ca 0.20 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2rqa s PRO 606 Cb -0.07 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2rqa s PRO 606 CO 0.09 0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.69 2rqa n GLY 607 N 1.63 0.62 3.12 0.56 0.00 0.51 -4.70 105.19 106.93 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 0.20 0.25 -0.02 0.00 -1.22 -4.01 107.32 102.51 2rqa s GLY 608 Ca 0.00 -0.63 -0.31 0.00 0.00 0.00 0.00 44.72 43.78 2rqa s GLY 608 CO 0.00 -0.77 1.34 -0.62 0.00 0.00 0.00 173.10 173.05 2rqa n VAL 609 N 0.64 1.12 -4.30 1.40 0.31 -1.26 0.16 118.33 116.40 2rqa n VAL 609 Ca -0.18 -0.28 -0.31 0.00 -0.01 0.00 0.00 64.34 63.56 2rqa n VAL 609 Cb 0.59 -1.38 -0.10 0.00 -0.91 0.00 0.00 33.84 32.05 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 -0.25 3.55 -0.08 2.52 1.01 -0.93 -2.04 121.20 124.99 2rqa s ILE 610 Ca 0.67 -1.06 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 2rqa s ILE 610 Cb -0.67 -2.63 0.04 0.00 0.01 0.00 0.00 42.46 39.21 2rqa s ILE 610 CO 0.52 0.21 0.18 -0.55 0.00 0.00 0.00 174.94 175.30 2rqa s SER 611 N -1.95 -0.17 -0.11 3.58 0.15 -1.25 -1.62 113.70 112.33 2rqa s SER 611 Ca 0.21 0.37 -0.30 0.00 0.70 0.00 0.00 55.95 56.92 2rqa s SER 611 Cb -0.11 0.28 -0.08 0.00 -1.71 0.00 0.00 66.02 64.40 2rqa s SER 611 CO 0.12 -0.13 2.08 0.00 1.20 0.00 0.00 173.24 176.51 2rqa h ARG 613 N 12.36 0.21 -0.37 0.00 2.43 -1.00 1.13 114.38 129.15 2rqa h ARG 613 Ca -0.44 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 58.68 2rqa h ARG 613 Cb 1.25 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.75 2rqa h ARG 613 CO 0.96 0.42 0.21 -0.91 -1.51 0.00 0.00 179.97 179.13 2rqa h ASN 614 N 0.19 0.33 0.00 -3.80 -0.26 -1.88 -3.42 115.58 106.75 2rqa h ASN 614 Ca 0.03 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 2rqa h ASN 614 Cb 0.49 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.68 2rqa h ASN 614 CO 0.03 0.24 0.00 0.00 -1.06 0.00 0.00 177.43 176.64 2rqa n GLY 616 N 3.71 0.00 3.38 0.00 0.00 0.39 -4.93 105.19 107.74 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 1.85 0.00 0.00 0.00 173.32 175.17 2rqa s GLU 617 N 0.00 3.04 -0.79 1.61 2.12 -1.25 -4.68 118.70 118.74 2rqa s GLU 617 Ca 0.00 -1.31 -0.26 0.00 0.36 0.00 0.00 54.97 53.75 2rqa s GLU 617 Cb 0.00 -4.20 -0.17 0.00 0.26 0.00 0.00 34.13 30.02 2rqa s GLU 617 CO 0.00 -1.30 2.51 0.28 -0.54 0.00 0.00 175.26 176.21 2rqa n VAL 618 N 5.42 -0.03 -0.07 3.70 0.31 -1.26 -3.08 118.33 123.32 2rqa n VAL 618 Ca -0.10 -0.40 -0.11 0.00 -0.01 0.00 0.00 64.34 63.72 2rqa n VAL 618 Cb 0.43 -1.45 -0.04 0.00 -0.91 0.00 0.00 33.84 31.87 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 14.82 0.35 0.00 3.52 6.55 -1.66 -3.48 115.95 136.06 2rqa h TRP 619 Ca -0.11 -0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.70 2rqa h TRP 619 Cb 1.25 -0.10 0.00 0.00 -0.86 0.00 0.00 29.16 29.44 2rqa h TRP 619 CO 1.08 0.41 0.00 0.41 -1.05 0.00 0.00 178.44 179.29 2rqa n GLY 620 N -0.65 -1.47 3.78 1.49 0.00 -1.23 -3.91 105.19 103.21 2rqa n GLY 620 Ca -0.03 0.63 -0.08 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.20 0.34 0.99 2.34 -1.23 -2.19 118.68 118.73 2rqa s LEU 621 Ca 0.00 -0.60 0.02 0.00 0.06 0.00 0.00 54.13 53.61 2rqa s LEU 621 Cb 0.00 2.58 -0.02 0.00 -0.56 0.00 0.00 46.19 48.19 2rqa s LEU 621 CO 0.00 -1.29 0.52 -1.58 -1.06 0.00 0.00 176.35 172.95 2rqa s GLN 622 N -3.92 3.35 -0.15 1.48 0.74 0.41 -0.97 119.66 120.61 2rqa s GLN 622 Ca 0.12 -0.55 -0.06 0.00 0.05 0.00 0.00 55.36 54.92 2rqa s GLN 622 Cb -0.05 -2.71 0.07 0.00 1.10 0.00 0.00 33.01 31.42 2rqa s GLN 622 CO 0.05 0.12 0.31 -1.64 -0.55 0.00 0.00 175.29 173.58 2rqa s MET 623 N -4.27 0.22 -0.00 1.67 -1.94 0.86 0.19 119.30 116.02 2rqa s MET 623 Ca 0.41 0.79 -0.06 0.00 -1.71 0.00 0.00 55.69 55.12 2rqa s MET 623 Cb -0.10 0.04 -0.05 0.00 2.01 0.00 0.00 34.83 36.74 2rqa s MET 623 CO 0.34 -0.25 0.25 0.42 -0.01 0.00 0.00 175.02 175.77 2rqa s ILE 624 N 2.22 5.33 -0.25 2.53 1.09 -0.93 0.09 121.20 131.29 2rqa s ILE 624 Ca -0.02 0.14 -0.02 0.00 -1.10 0.00 0.00 60.65 59.65 2rqa s ILE 624 Cb -0.11 -3.55 0.13 0.00 -1.06 0.00 0.00 42.46 37.87 2rqa s ILE 624 CO -0.10 0.38 0.37 -0.47 -0.10 0.00 0.00 174.94 175.02 2rqa s TYR 625 N -1.28 -0.79 -1.36 3.97 5.04 -0.90 -0.58 117.35 121.45 2rqa s TYR 625 Ca 0.26 0.73 0.00 0.00 -2.44 0.00 0.00 57.07 55.62 2rqa s TYR 625 Cb -0.13 -0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.15 2rqa s TYR 625 CO 0.15 -0.74 0.00 1.63 -1.34 0.00 0.00 175.55 175.26 2rqa n LYS 626 N 5.36 -0.90 -1.79 4.97 4.76 -1.26 -2.29 118.16 127.01 2rqa n LYS 626 Ca -0.03 0.94 0.00 0.00 -2.87 0.00 0.00 58.31 56.35 2rqa n LYS 626 Cb 0.50 -4.99 0.00 0.00 -1.84 0.00 0.00 35.03 28.70 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 -0.09 -1.42 -3.85 4.39 3.41 -1.26 -5.07 113.62 109.73 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 0.43 -0.36 -0.16 0.00 -0.26 0.00 0.00 64.21 63.86 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 1.10 -0.61 -3.33 1.01 -0.97 -5.07 120.40 109.83 2rqa s VAL 628 Ca 0.00 -0.95 -0.26 0.00 0.00 0.00 0.00 61.98 60.77 2rqa s VAL 628 Cb 0.00 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 2rqa s VAL 628 CO 0.00 -0.15 1.92 -0.54 0.00 0.00 0.00 175.10 176.33 2rqa s LYS 629 N 1.59 2.57 -0.26 2.72 -0.14 -1.26 -2.12 119.74 122.83 2rqa s LYS 629 Ca -0.04 0.65 0.01 0.00 -1.36 0.00 0.00 55.97 55.23 2rqa s LYS 629 Cb -0.18 -4.43 0.05 0.00 -1.68 0.00 0.00 37.83 31.58 2rqa s LYS 629 CO -0.07 -2.82 -0.08 -0.51 -0.76 0.00 0.00 175.35 171.11 2rqa s LEU 630 N 9.44 3.43 0.80 3.17 1.43 0.11 -4.69 118.68 132.38 2rqa s LEU 630 Ca 0.70 -1.22 -0.11 0.00 -1.03 0.00 0.00 54.13 52.47 2rqa s LEU 630 Cb -0.13 -1.61 0.07 0.00 0.03 0.00 0.00 46.19 44.55 2rqa s LEU 630 CO 0.20 -0.19 1.10 -2.16 0.23 0.00 0.00 176.35 175.53 2rqa s PRO 631 N 1.20 2.08 -0.41 1.29 0.04 -1.26 -0.10 135.00 137.84 2rqa s PRO 631 Ca -0.05 0.64 0.02 0.00 0.04 0.00 0.00 61.00 61.64 2rqa s PRO 631 Cb -0.19 -1.92 0.13 0.00 0.04 0.00 0.00 34.50 32.56 2rqa s PRO 631 CO -0.04 -1.62 0.20 0.08 0.04 0.00 0.00 177.00 175.66 2rqa s VAL 632 N -3.16 1.33 0.53 -0.36 1.01 -0.14 -3.52 120.40 116.09 2rqa s VAL 632 Ca 0.61 -2.33 0.04 0.00 0.00 0.00 0.00 61.98 60.29 2rqa s VAL 632 Cb -0.14 -1.95 0.04 0.00 0.00 0.00 0.00 36.38 34.33 2rqa s VAL 632 CO 0.54 -0.84 0.74 -0.76 0.00 0.00 0.00 175.10 174.78 2rqa s LEU 633 N 0.61 3.33 0.00 3.92 2.01 -1.25 -3.53 118.68 123.78 2rqa s LEU 633 Ca 0.16 -0.23 0.00 0.00 0.01 0.00 0.00 54.13 54.07 2rqa s LEU 633 Cb -0.23 -2.62 0.00 0.00 0.01 0.00 0.00 46.19 43.35 2rqa s LEU 633 CO -0.04 -1.13 0.00 0.29 1.01 0.00 0.00 176.35 176.48 2rqa n LYS 634 N -2.25 1.02 -0.01 1.70 5.02 -1.25 -4.78 118.16 117.60 2rqa n LYS 634 Ca 0.09 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.44 2rqa n LYS 634 Cb 0.60 0.00 -0.10 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 -1.00 0.06 1.18 -0.18 3.14 -1.26 -4.04 118.33 116.23 2rqa n VAL 635 Ca 0.00 -0.31 0.12 0.00 -2.96 0.00 0.00 64.34 61.19 2rqa n VAL 635 Cb 0.00 0.14 0.37 0.00 -1.06 0.00 0.00 33.84 33.29 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 -1.99 1.90 -0.00 1.45 1.85 -0.84 -3.75 116.66 115.28 2rqa n ARG 636 Ca -0.04 -1.33 0.05 0.00 -1.00 0.00 0.00 57.85 55.53 2rqa n ARG 636 Cb 0.38 -1.45 -0.07 0.00 -1.05 0.00 0.00 32.46 30.26 2rqa n ARG 636 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2rqa n SER 637 N 0.58 2.89 -4.75 2.89 3.41 -1.26 -4.90 113.62 112.47 2rqa n SER 637 Ca 0.17 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.46 2rqa n SER 637 Cb 0.42 1.42 -0.07 0.00 -0.26 0.00 0.00 64.21 65.71 2rqa n SER 637 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2rqa s MET 638 N -2.64 2.92 0.14 4.33 -1.94 -1.25 -2.83 119.30 118.04 2rqa s MET 638 Ca -0.03 -0.59 0.05 0.00 -1.71 0.00 0.00 55.69 53.41 2rqa s MET 638 Cb 0.06 -2.76 -0.04 0.00 2.01 0.00 0.00 34.83 34.10 2rqa s MET 638 CO 0.38 0.61 0.08 -1.17 -0.01 0.00 0.00 175.02 174.91 2rqa s LEU 639 N -1.92 3.64 -0.34 -0.03 2.96 0.12 -4.60 118.68 118.51 2rqa s LEU 639 Ca 0.24 -0.17 0.04 0.00 -0.22 0.00 0.00 54.13 54.01 2rqa s LEU 639 Cb -0.12 -2.29 0.10 0.00 0.50 0.00 0.00 46.19 44.38 2rqa s LEU 639 CO 0.16 0.11 0.06 -0.76 -1.32 0.00 0.00 176.35 174.60 2rqa s LEU 640 N -2.82 4.50 -0.13 -0.68 1.43 -0.83 -2.25 118.68 117.89 2rqa s LEU 640 Ca 0.29 -2.13 -0.29 0.00 -1.03 0.00 0.00 54.13 50.96 2rqa s LEU 640 Cb -0.10 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 2rqa s LEU 640 CO 0.21 -0.38 1.33 -1.61 0.23 0.00 0.00 176.35 176.13 2rqa s GLU 641 N 0.93 4.24 0.16 1.70 2.02 -1.17 -1.83 118.70 124.74 2rqa s GLU 641 Ca 0.11 1.76 0.05 0.00 0.02 0.00 0.00 54.97 56.91 2rqa s GLU 641 Cb -0.19 -3.78 -0.04 0.00 0.10 0.00 0.00 34.13 30.22 2rqa s GLU 641 CO -0.09 -0.70 -0.11 0.95 0.02 0.00 0.00 175.26 175.32 2rqa s THR 642 N 3.44 1.28 -2.00 3.63 -4.23 -1.26 -3.40 115.64 113.10 2rqa s THR 642 Ca 0.58 -2.09 0.21 0.00 -1.18 0.00 0.00 61.69 59.21 2rqa s THR 642 Cb -0.24 -1.90 0.61 0.00 1.34 0.00 0.00 72.50 72.31 2rqa s THR 642 CO 0.18 -0.71 1.68 -0.81 -0.54 0.00 0.00 174.62 174.42 2rqa n PRO 643 N -0.24 0.75 0.00 3.99 -0.04 -1.26 -1.94 135.00 136.26 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 0.61 -1.45 0.03 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.95 0.93 0.00 0.54 6.02 -1.26 -5.07 117.38 117.59 2rqa n GLN 644 Ca 0.16 -0.90 0.00 0.00 -0.01 0.00 0.00 57.00 56.25 2rqa n GLN 644 Cb 0.07 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.20 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 0.64 3.44 3.47 1.08 0.00 -0.82 -5.07 105.19 107.92 2rqa n GLY 645 Ca 0.05 -1.57 -0.38 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.06 0.47 -3.96 1.61 1.74 -1.26 -4.13 116.66 111.07 2rqa n ARG 646 Ca 0.00 0.19 -0.17 0.00 -0.77 0.00 0.00 57.85 57.10 2rqa n ARG 646 Cb 0.00 -1.74 -0.16 0.00 -1.02 0.00 0.00 32.46 29.54 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 -1.76 0.22 -0.23 0.55 1.01 -0.76 -4.94 121.20 115.29 2rqa s ILE 647 Ca 0.68 0.06 0.01 0.00 0.00 0.00 0.00 60.65 61.40 2rqa s ILE 647 Cb -0.42 -0.31 0.06 0.00 0.01 0.00 0.00 42.46 41.80 2rqa s ILE 647 CO 0.55 0.15 -0.06 -1.58 0.00 0.00 0.00 174.94 174.01 2rqa s GLN 648 N 1.01 1.64 0.37 2.79 -0.44 -1.26 -1.97 119.66 121.79 2rqa s GLN 648 Ca -0.10 -0.95 0.08 0.00 -2.50 0.00 0.00 55.36 51.89 2rqa s GLN 648 Cb -0.14 -2.54 -0.04 0.00 -1.64 0.00 0.00 33.01 28.66 2rqa s GLN 648 CO -0.01 -0.57 0.20 0.00 0.50 0.00 0.00 175.29 175.40 2rqa s ALA 649 N 1.41 3.64 -0.73 1.58 0.00 -1.25 -5.03 121.76 121.38 2rqa s ALA 649 Ca -0.05 -1.87 0.06 0.00 0.00 0.00 0.00 51.96 50.10 2rqa s ALA 649 Cb -0.18 -0.76 0.04 0.00 0.00 0.00 0.00 23.12 22.22 2rqa s ALA 649 CO -0.06 -0.05 0.67 1.63 0.00 0.00 0.00 175.76 177.95 2rqa n LYS 650 N -1.25 0.03 -3.89 0.00 5.02 -1.26 -1.98 118.16 114.82 2rqa n LYS 650 Ca -0.01 -0.83 -0.17 0.00 -2.02 0.00 0.00 58.31 55.28 2rqa n LYS 650 Cb 0.62 -1.10 -0.16 0.00 -0.02 0.00 0.00 35.03 34.36 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 -0.54 0.27 0.54 1.97 1.02 -1.26 -4.56 119.74 117.17 2rqa s LYS 651 Ca 0.07 0.10 0.29 0.00 0.02 0.00 0.00 55.97 56.45 2rqa s LYS 651 Cb 0.05 -0.49 1.54 0.00 -0.52 0.00 0.00 37.83 38.41 2rqa s LYS 651 CO 0.08 -0.16 2.10 -1.49 -0.92 0.00 0.00 175.35 174.96 2rqa h TRP 652 N 7.39 0.00 0.00 3.18 4.06 -1.95 0.48 115.95 129.11 2rqa h TRP 652 Ca -0.40 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.55 2rqa h TRP 652 Cb 1.13 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.29 2rqa h TRP 652 CO 0.50 0.09 0.00 0.77 -3.56 0.00 0.00 178.44 176.25 2rqa h SER 653 N 0.00 0.00 0.00 -3.49 0.02 -2.01 -1.59 113.55 106.48 2rqa h SER 653 Ca -0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 2rqa h SER 653 Cb 0.29 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 2rqa h SER 653 CO 0.01 0.00 -2.00 0.54 -1.14 0.00 0.00 176.83 174.24 2rqa n ARG 654 N -2.34 0.99 -1.48 3.45 5.12 0.12 -5.00 116.66 117.52 2rqa n ARG 654 Ca 0.00 -0.07 -0.52 0.00 -1.93 0.00 0.00 57.85 55.32 2rqa n ARG 654 Cb 0.13 -1.42 -0.05 0.00 -1.16 0.00 0.00 32.46 29.96 2rqa n ARG 654 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2rqa n VAL 655 N -2.40 0.96 0.05 1.55 0.31 -0.60 -4.89 118.33 113.30 2rqa n VAL 655 Ca -0.17 -0.24 -0.08 0.00 -0.01 0.00 0.00 64.34 63.84 2rqa n VAL 655 Cb 0.80 -0.20 -0.06 0.00 -0.91 0.00 0.00 33.84 33.47 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 2.33 -0.21 -7.09 5.55 0.13 -1.93 -3.46 132.00 127.34 2rqa h PRO 656 Ca -0.41 0.01 -0.56 0.00 -0.87 0.00 0.00 66.00 64.18 2rqa h PRO 656 Cb 1.41 0.05 0.16 0.00 0.13 0.00 0.00 31.00 32.75 2rqa h PRO 656 CO 0.63 0.14 0.53 1.97 -0.23 0.00 0.00 178.00 181.04 2rqa n PHE 657 N -4.90 2.01 -3.04 1.56 1.16 -1.25 -4.79 117.46 108.21 2rqa n PHE 657 Ca -0.06 0.42 -0.35 0.00 -1.87 0.00 0.00 57.45 55.59 2rqa n PHE 657 Cb 0.22 -2.29 -0.06 0.00 -1.61 0.00 0.00 39.48 35.74 2rqa n PHE 657 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2rqa s SER 658 N -1.27 6.99 -0.30 5.98 0.01 -1.26 -4.99 113.70 118.87 2rqa s SER 658 Ca 0.80 1.46 0.02 0.00 1.31 0.00 0.00 55.95 59.54 2rqa s SER 658 Cb -0.39 -2.44 0.09 0.00 0.21 0.00 0.00 66.02 63.49 2rqa s SER 658 CO 0.42 -0.10 0.01 -0.69 0.41 0.00 0.00 173.24 173.30 2rqa s VAL 659 N -1.75 1.83 0.51 3.43 1.01 -1.26 -4.83 120.40 119.34 2rqa s VAL 659 Ca 0.49 -1.82 -0.19 0.00 0.00 0.00 0.00 61.98 60.46 2rqa s VAL 659 Cb -0.14 -2.24 -0.08 0.00 0.00 0.00 0.00 36.38 33.93 2rqa s VAL 659 CO 0.19 -0.43 1.04 -2.16 0.00 0.00 0.00 175.10 173.75 2rqa s PRO 660 N 1.18 3.72 0.75 2.72 0.04 -1.26 -4.55 135.00 137.59 2rqa s PRO 660 Ca 0.04 1.32 -0.11 0.00 0.04 0.00 0.00 61.00 62.29 2rqa s PRO 660 Cb -0.19 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.31 2rqa s PRO 660 CO -0.11 -0.49 1.10 0.16 0.04 0.00 0.00 177.00 177.70 2rqa s ASP 661 N -2.16 4.99 -0.57 6.66 1.47 -1.26 -0.06 116.67 125.74 2rqa s ASP 661 Ca 0.66 1.23 -0.26 0.00 1.18 0.00 0.00 52.55 55.36 2rqa s ASP 661 Cb -0.16 -1.99 0.04 0.00 -0.34 0.00 0.00 42.92 40.46 2rqa s ASP 661 CO 0.23 -1.64 1.04 0.12 0.68 0.00 0.00 175.17 175.60 2rqa s PHE 662 N -3.26 2.71 -0.21 2.11 2.19 0.53 -4.67 117.98 117.38 2rqa s PHE 662 Ca 0.59 0.11 -0.26 0.00 0.33 0.00 0.00 56.93 57.70 2rqa s PHE 662 Cb -0.13 -4.25 -0.01 0.00 -1.31 0.00 0.00 43.02 37.33 2rqa s PHE 662 CO 0.53 -1.47 0.88 -0.51 1.83 0.00 0.00 175.22 176.48 2rqa s ASP 663 N 2.95 6.95 0.29 6.13 1.11 -1.26 -4.62 116.67 128.22 2rqa s ASP 663 Ca 0.34 1.18 0.10 0.00 0.18 0.00 0.00 52.55 54.35 2rqa s ASP 663 Cb -0.11 -2.47 0.42 0.00 1.07 0.00 0.00 42.92 41.83 2rqa s ASP 663 CO 0.21 -0.51 1.65 0.15 1.18 0.00 0.00 175.17 177.85 2rqa h PHE 664 N 7.48 0.05 -0.36 4.23 3.57 -1.98 0.31 116.94 130.26 2rqa h PHE 664 Ca -0.25 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.13 2rqa h PHE 664 Cb 1.10 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 2rqa h PHE 664 CO 0.74 0.59 -0.20 -0.07 -2.23 0.00 0.00 178.31 177.14 2rqa h LEU 665 N 0.03 0.80 0.29 0.59 3.38 -1.97 -0.15 115.31 118.28 2rqa h LEU 665 Ca -0.00 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 2rqa h LEU 665 Cb 1.00 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2rqa h LEU 665 CO 0.08 1.04 -0.14 -0.61 0.09 0.00 0.00 178.44 178.90 2rqa h GLN 666 N 0.56 -0.38 -0.79 1.13 4.15 -1.94 -1.02 115.11 116.82 2rqa h GLN 666 Ca 0.08 0.03 0.19 0.00 0.77 0.00 0.00 58.65 59.71 2rqa h GLN 666 Cb 0.76 0.09 -0.13 0.00 0.21 0.00 0.00 27.48 28.40 2rqa h GLN 666 CO 0.06 -0.25 0.12 1.25 -1.93 0.00 0.00 178.83 178.08 2rqa h HIS 667 N -0.86 0.16 -0.85 3.99 2.76 -1.04 1.11 115.15 120.42 2rqa h HIS 667 Ca -0.04 0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 2rqa h HIS 667 Cb 0.30 0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.28 2rqa h HIS 667 CO 0.02 -0.19 0.48 0.00 -1.30 0.00 0.00 177.93 176.94 2rqa n ALA 669 N -2.38 1.74 0.55 0.00 0.00 0.33 0.17 120.51 120.91 2rqa n ALA 669 Ca 0.09 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.57 2rqa n ALA 669 Cb 0.08 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.72 1.84 -0.05 0.00 1.02 0.18 -3.30 120.64 118.61 2rqa n GLU 670 Ca 0.03 -0.73 -0.04 0.00 -0.02 0.00 0.00 57.16 56.41 2rqa n GLU 670 Cb 0.21 -1.16 -0.09 0.00 -0.02 0.00 0.00 31.44 30.37 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 2.17 -0.10 1.62 5.03 0.24 -4.73 115.26 119.37 2rqa n ASN 671 Ca 0.05 0.00 -0.15 0.00 0.87 0.00 0.00 54.58 55.35 2rqa n ASN 671 Cb 0.26 0.92 -0.06 0.00 -1.02 0.00 0.00 39.78 39.89 2rqa n ASN 671 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2rqa n LEU 672 N -2.33 1.90 -0.71 3.41 4.77 0.13 -4.96 117.00 119.20 2rqa n LEU 672 Ca -0.16 0.42 -0.09 0.00 -0.03 0.00 0.00 56.01 56.15 2rqa n LEU 672 Cb 0.77 -0.83 -0.04 0.00 -2.33 0.00 0.00 43.42 41.00 2rqa n LEU 672 CO 0.25 -0.01 -0.09 -1.20 -1.33 0.00 0.00 177.39 175.01 2rqa n SER 673 N -4.44 -5.16 0.23 -1.43 7.64 -1.21 -4.81 113.62 104.45 2rqa n SER 673 Ca -0.26 0.23 0.17 0.00 1.01 0.00 0.00 58.87 60.02 2rqa n SER 673 Cb 0.58 -3.48 0.86 0.00 -1.01 0.00 0.00 64.21 61.16 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 0.30 6.43 3.58 -1.90 -2.54 116.42 122.29 2rqa h ASP 674 Ca -0.19 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.25 2rqa h ASP 674 Cb 0.95 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.00 2rqa h ASP 674 CO 0.28 0.00 -0.16 -0.07 -2.88 0.00 0.00 179.24 176.41 2rqa h LEU 675 N 0.00 -0.40 -7.45 2.28 3.38 -1.91 -3.48 115.31 107.73 2rqa h LEU 675 Ca 0.07 0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.29 2rqa h LEU 675 Cb 0.39 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.15 2rqa h LEU 675 CO -0.00 -0.26 0.63 -0.44 0.09 0.00 0.00 178.44 178.46 2rqa s SER 676 N -2.72 -0.13 -0.06 -0.43 0.01 -0.96 -5.08 113.70 104.34 2rqa s SER 676 Ca -0.06 -0.28 -0.03 0.00 1.31 0.00 0.00 55.95 56.89 2rqa s SER 676 Cb 0.01 0.34 -0.03 0.00 0.21 0.00 0.00 66.02 66.55 2rqa s SER 676 CO 0.20 -0.63 -0.08 0.18 0.41 0.00 0.00 173.24 173.32 2rqa n LEU 677 N -0.47 0.64 0.00 2.44 7.99 -1.26 -4.85 117.00 121.50 2rqa n LEU 677 Ca -0.07 0.06 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 2rqa n LEU 677 Cb 0.62 -0.18 0.00 0.00 -0.11 0.00 0.00 43.42 43.75 2rqa n LEU 677 CO 0.13 0.17 0.17 -0.67 -1.51 0.00 0.00 177.39 175.67