#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3rpb n GLY 542 N 0.00 5.19 3.06 -0.13 0.00 0.68 -4.61 105.19 109.38 3rpb n GLY 542 Ca 0.00 -2.14 -0.21 0.00 0.00 0.00 0.00 46.02 43.66 3rpb n GLY 542 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3rpb s LYS 543 N -0.90 1.09 -0.16 1.61 1.02 0.35 -1.24 119.74 121.52 3rpb s LYS 543 Ca 0.00 -0.41 -0.01 0.00 0.02 0.00 0.00 55.97 55.57 3rpb s LYS 543 Cb 0.00 -1.02 -0.01 0.00 -0.52 0.00 0.00 37.83 36.28 3rpb s LYS 543 CO 0.00 0.20 -0.11 -1.50 -0.92 0.00 0.00 175.35 173.02 3rpb s ILE 544 N -0.06 3.05 -0.31 2.17 -1.16 -0.75 1.00 121.20 125.15 3rpb s ILE 544 Ca 0.01 -0.64 -0.29 0.00 -0.51 0.00 0.00 60.65 59.21 3rpb s ILE 544 Cb -0.07 -2.31 0.01 0.00 0.61 0.00 0.00 42.46 40.70 3rpb s ILE 544 CO 0.00 0.50 1.11 -0.22 -2.81 0.00 0.00 174.94 173.52 3rpb s LEU 545 N 0.69 3.94 -0.05 8.50 2.96 0.59 -2.24 118.68 133.07 3rpb s LEU 545 Ca -0.06 1.11 0.06 0.00 -0.22 0.00 0.00 54.13 55.03 3rpb s LEU 545 Cb -0.15 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 3rpb s LEU 545 CO 0.02 -0.89 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.23 3rpb s VAL 546 N 3.71 2.14 0.02 1.68 1.01 -0.72 -1.68 120.40 126.57 3rpb s VAL 546 Ca 0.47 -1.04 0.06 0.00 0.00 0.00 0.00 61.98 61.47 3rpb s VAL 546 Cb -0.13 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 3rpb s VAL 546 CO 0.16 0.57 -0.17 -0.55 0.00 0.00 0.00 175.10 175.11 3rpb s SER 547 N -0.23 3.85 0.30 3.32 0.15 0.24 -1.74 113.70 119.60 3rpb s SER 547 Ca -0.01 -0.38 0.10 0.00 0.70 0.00 0.00 55.95 56.36 3rpb s SER 547 Cb -0.13 -0.66 -0.05 0.00 -1.71 0.00 0.00 66.02 63.46 3rpb s SER 547 CO 0.03 0.27 -0.08 -0.76 1.20 0.00 0.00 173.24 173.90 3rpb s LEU 548 N -1.30 2.85 0.00 3.45 1.43 0.19 0.11 118.68 125.41 3rpb s LEU 548 Ca 0.14 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 52.28 3rpb s LEU 548 Cb -0.11 -1.29 0.00 0.00 0.03 0.00 0.00 46.19 44.82 3rpb s LEU 548 CO 0.04 -0.08 0.00 0.80 0.23 0.00 0.00 176.35 177.34 3rpb n MET 549 N -0.80 0.00 -3.53 1.70 1.56 -0.15 0.05 117.12 115.95 3rpb n MET 549 Ca -0.05 0.00 -0.37 0.00 -0.27 0.00 0.00 57.70 57.01 3rpb n MET 549 Cb 0.61 0.00 -0.07 0.00 2.15 0.00 0.00 33.22 35.91 3rpb n MET 549 CO 0.00 0.00 0.00 -0.47 -0.73 0.00 0.00 175.97 174.77 3rpb s TYR 550 N 0.00 3.52 -1.02 1.12 5.04 -0.97 0.16 117.35 125.20 3rpb s TYR 550 Ca 0.00 0.69 -0.06 0.00 -2.44 0.00 0.00 57.07 55.26 3rpb s TYR 550 Cb 0.00 -2.32 0.25 0.00 0.35 0.00 0.00 41.96 40.24 3rpb s TYR 550 CO 0.00 0.34 0.98 0.45 -1.34 0.00 0.00 175.55 175.97 3rpb n SER 551 N 3.17 4.95 -0.33 4.32 2.88 0.68 -2.27 113.62 127.02 3rpb n SER 551 Ca -0.12 -3.09 0.20 0.00 -1.33 0.00 0.00 58.87 54.53 3rpb n SER 551 Cb 0.52 -1.23 0.41 0.00 -0.75 0.00 0.00 64.21 63.16 3rpb n SER 551 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3rpb h THR 552 N 3.81 0.35 -0.62 2.46 1.35 -1.95 0.65 112.91 118.95 3rpb h THR 552 Ca 0.17 -0.12 0.12 0.00 -0.55 0.00 0.00 66.41 66.04 3rpb h THR 552 Cb 0.84 -0.02 -0.09 0.00 -1.73 0.00 0.00 68.15 67.14 3rpb h THR 552 CO 0.95 0.06 0.10 -0.61 -0.25 0.00 0.00 175.52 175.78 3rpb h GLN 553 N 0.34 0.22 0.00 4.72 -0.00 -1.93 0.15 115.11 118.60 3rpb h GLN 553 Ca 0.67 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 59.30 3rpb h GLN 553 Cb 1.43 -0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.87 3rpb h GLN 553 CO -0.59 0.14 -0.31 1.96 0.00 0.00 0.00 178.83 180.03 3rpb h GLN 554 N 0.22 0.00 -1.68 1.69 1.08 -0.44 -3.48 115.11 112.51 3rpb h GLN 554 Ca 0.33 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.46 3rpb h GLN 554 Cb 0.52 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.97 3rpb h GLN 554 CO -0.45 0.00 -0.12 0.41 -0.95 0.00 0.00 178.83 177.73 3rpb n GLY 555 N 1.16 0.64 3.76 3.46 0.00 0.17 -5.05 105.19 109.33 3rpb n GLY 555 Ca 0.03 -0.54 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 3rpb n GLY 555 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3rpb s GLY 556 N -3.03 0.17 0.25 -0.02 0.00 -1.15 -4.14 107.32 99.40 3rpb s GLY 556 Ca 0.09 -0.54 -0.02 0.00 0.00 0.00 0.00 44.72 44.24 3rpb s GLY 556 CO 0.11 -0.30 0.48 -2.27 0.00 0.00 0.00 173.10 171.12 3rpb s LEU 557 N -2.96 4.13 -0.16 0.66 2.96 -0.89 -0.23 118.68 122.19 3rpb s LEU 557 Ca 0.15 0.54 0.00 0.00 -0.22 0.00 0.00 54.13 54.61 3rpb s LEU 557 Cb -0.04 -3.34 0.02 0.00 0.50 0.00 0.00 46.19 43.33 3rpb s LEU 557 CO 0.08 -0.13 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.20 3rpb s ILE 558 N -2.01 1.65 -0.24 6.68 -1.09 0.44 0.22 121.20 126.85 3rpb s ILE 558 Ca 0.41 -0.71 -0.07 0.00 -2.23 0.00 0.00 60.65 58.05 3rpb s ILE 558 Cb -0.11 -1.56 -0.03 0.00 -1.58 0.00 0.00 42.46 39.19 3rpb s ILE 558 CO 0.30 0.45 0.06 -0.69 -1.23 0.00 0.00 174.94 173.83 3rpb s VAL 559 N 1.45 4.29 -0.32 2.92 1.01 -1.05 -0.97 120.40 127.73 3rpb s VAL 559 Ca 0.04 -0.18 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 3rpb s VAL 559 Cb -0.13 -2.99 0.03 0.00 0.00 0.00 0.00 36.38 33.29 3rpb s VAL 559 CO -0.11 0.36 0.07 -0.83 0.00 0.00 0.00 175.10 174.59 3rpb s GLY 560 N 1.48 1.80 -0.60 4.51 0.00 0.30 0.26 107.32 115.07 3rpb s GLY 560 Ca 0.06 -1.66 -0.22 0.00 0.00 0.00 0.00 44.72 42.89 3rpb s GLY 560 CO 0.03 0.72 0.90 -0.42 0.00 0.00 0.00 173.10 174.33 3rpb s ILE 561 N 1.40 4.44 0.00 0.90 -1.09 0.44 0.82 121.20 128.11 3rpb s ILE 561 Ca -0.01 -0.20 0.00 0.00 -2.23 0.00 0.00 60.65 58.21 3rpb s ILE 561 Cb -0.19 -4.58 0.00 0.00 -1.58 0.00 0.00 42.46 36.12 3rpb s ILE 561 CO 0.02 -1.24 0.04 -0.38 -1.23 0.00 0.00 174.94 172.14 3rpb n ILE 562 N 5.95 0.00 -3.87 2.92 5.41 -0.68 0.19 119.36 129.29 3rpb n ILE 562 Ca -0.03 0.24 -0.08 0.00 1.00 0.00 0.00 62.75 63.88 3rpb n ILE 562 Cb 0.46 -0.64 -0.01 0.00 -0.71 0.00 0.00 39.64 38.74 3rpb n ILE 562 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3rpb s ARG 563 N -0.44 1.92 0.16 0.38 1.70 -1.22 0.26 118.95 121.71 3rpb s ARG 563 Ca 0.00 -1.22 0.05 0.00 -0.47 0.00 0.00 55.73 54.09 3rpb s ARG 563 Cb 0.00 0.59 -0.04 0.00 -0.57 0.00 0.00 34.95 34.93 3rpb s ARG 563 CO 0.00 -0.88 -0.11 0.00 -1.08 0.00 0.00 175.30 173.23 3rpb s VAL 565 N -3.23 0.07 -1.16 0.00 -7.23 0.28 -3.39 120.40 105.73 3rpb s VAL 565 Ca 0.18 -0.55 -0.06 0.00 -1.81 0.00 0.00 61.98 59.75 3rpb s VAL 565 Cb 0.02 -0.66 0.01 0.00 0.56 0.00 0.00 36.38 36.30 3rpb s VAL 565 CO 0.02 -0.30 1.01 1.57 -0.31 0.00 0.00 175.10 177.08 3rpb n HIS 566 N 1.15 -2.39 -2.63 2.82 -0.00 -1.19 0.13 115.22 113.12 3rpb n HIS 566 Ca -0.21 0.88 -0.31 0.00 0.46 0.00 0.00 57.72 58.54 3rpb n HIS 566 Cb 0.57 -4.63 -0.03 0.00 -0.12 0.00 0.00 29.99 25.77 3rpb n HIS 566 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3rpb s LEU 567 N -6.38 3.72 0.82 0.27 1.43 -0.35 -0.23 118.68 117.96 3rpb s LEU 567 Ca 0.37 1.29 -0.12 0.00 -1.03 0.00 0.00 54.13 54.65 3rpb s LEU 567 Cb -0.16 -4.21 0.08 0.00 0.03 0.00 0.00 46.19 41.93 3rpb s LEU 567 CO 0.65 -0.50 1.11 0.00 0.23 0.00 0.00 176.35 177.84 3rpb s ALA 568 N -2.52 2.18 -0.23 4.21 0.00 -1.26 -4.74 121.76 119.40 3rpb s ALA 568 Ca 0.54 -0.32 -0.06 0.00 0.00 0.00 0.00 51.96 52.12 3rpb s ALA 568 Cb -0.10 -3.08 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 3rpb s ALA 568 CO 0.33 -1.84 0.02 0.00 0.00 0.00 0.00 175.76 174.28 3rpb s ALA 569 N -3.22 3.04 -0.39 0.00 0.00 -1.26 -4.12 121.76 115.80 3rpb s ALA 569 Ca 0.61 -1.12 0.23 0.00 0.00 0.00 0.00 51.96 51.69 3rpb s ALA 569 Cb -0.14 -1.92 0.08 0.00 0.00 0.00 0.00 23.12 21.14 3rpb s ALA 569 CO 0.54 -0.41 1.08 -1.33 0.00 0.00 0.00 175.76 175.63 3rpb n MET 570 N 4.77 0.47 -3.75 0.00 2.81 0.13 -4.79 117.12 116.76 3rpb n MET 570 Ca -0.17 0.07 -0.20 0.00 -1.81 0.00 0.00 57.70 55.59 3rpb n MET 570 Cb 0.51 -1.73 -0.03 0.00 -0.71 0.00 0.00 33.22 31.26 3rpb n MET 570 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3rpb s ASP 571 N -4.77 5.62 0.00 7.83 1.01 -0.95 -4.99 116.67 120.42 3rpb s ASP 571 Ca 0.02 -0.32 0.19 0.00 0.71 0.00 0.00 52.55 53.14 3rpb s ASP 571 Cb 0.12 -1.18 1.02 0.00 1.01 0.00 0.00 42.92 43.88 3rpb s ASP 571 CO 0.78 -0.32 1.56 0.00 0.21 0.00 0.00 175.17 177.40 3rpb n ALA 572 N -1.44 2.07 0.91 5.23 0.00 -1.26 -2.28 120.51 123.75 3rpb n ALA 572 Ca -0.03 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.45 3rpb n ALA 572 Cb 0.59 -1.31 0.47 0.00 0.00 0.00 0.00 19.45 19.20 3rpb n ALA 572 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3rpb n ASN 573 N -1.18 0.28 0.00 0.00 4.13 -1.26 -4.91 115.26 112.32 3rpb n ASN 573 Ca 0.11 0.32 0.00 0.00 1.68 0.00 0.00 54.58 56.69 3rpb n ASN 573 Cb 0.12 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 38.03 3rpb n ASN 573 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3rpb n GLY 574 N 1.46 0.79 0.00 7.41 0.00 -0.96 -5.06 105.19 108.82 3rpb n GLY 574 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3rpb n GLY 574 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3rpb n TYR 575 N -2.41 0.00 -3.95 1.61 4.02 -1.26 -4.51 117.16 110.65 3rpb n TYR 575 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.78 3rpb n TYR 575 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.31 3rpb n TYR 575 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3rpb s SER 576 N -0.84 0.41 -0.45 7.72 0.01 -1.25 0.19 113.70 119.49 3rpb s SER 576 Ca 0.00 -1.27 0.09 0.00 1.31 0.00 0.00 55.95 56.08 3rpb s SER 576 Cb 0.00 0.75 0.39 0.00 0.21 0.00 0.00 66.02 67.36 3rpb s SER 576 CO 0.00 -1.46 0.95 0.47 0.41 0.00 0.00 173.24 173.61 3rpb n ASP 577 N -1.31 3.22 -4.77 2.44 9.92 -1.25 0.21 116.55 125.00 3rpb n ASP 577 Ca -0.04 -3.37 -0.39 0.00 -0.53 0.00 0.00 54.79 50.46 3rpb n ASP 577 Cb 0.61 -0.54 -0.01 0.00 -0.64 0.00 0.00 41.12 40.54 3rpb n ASP 577 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 3rpb s PRO 578 N -3.21 3.99 0.09 -0.24 0.04 -1.22 0.24 135.00 134.69 3rpb s PRO 578 Ca 0.43 1.99 -0.00 0.00 0.04 0.00 0.00 61.00 63.45 3rpb s PRO 578 Cb 0.36 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 3rpb s PRO 578 CO -0.11 -0.41 -0.01 -0.59 0.04 0.00 0.00 177.00 175.91 3rpb s PHE 579 N -1.34 0.75 -0.12 0.56 -0.71 0.30 -1.90 117.98 115.51 3rpb s PHE 579 Ca 0.57 -1.07 -0.01 0.00 -1.04 0.00 0.00 56.93 55.38 3rpb s PHE 579 Cb -0.34 -0.47 -0.02 0.00 -1.21 0.00 0.00 43.02 40.98 3rpb s PHE 579 CO 0.43 -0.35 -0.09 0.08 -1.34 0.00 0.00 175.22 173.96 3rpb s VAL 580 N -3.86 3.45 -0.10 -2.49 1.01 -1.26 0.01 120.40 117.15 3rpb s VAL 580 Ca 0.14 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.61 3rpb s VAL 580 Cb 0.07 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 3rpb s VAL 580 CO -0.05 0.53 -0.19 -0.54 0.00 0.00 0.00 175.10 174.86 3rpb s LYS 581 N 0.04 3.07 0.04 2.72 1.02 0.15 0.19 119.74 126.97 3rpb s LYS 581 Ca -0.02 -0.79 0.09 0.00 0.02 0.00 0.00 55.97 55.27 3rpb s LYS 581 Cb -0.14 -2.42 -0.03 0.00 -0.52 0.00 0.00 37.83 34.72 3rpb s LYS 581 CO 0.04 0.26 -0.26 -0.51 -0.92 0.00 0.00 175.35 173.95 3rpb s LEU 582 N 0.18 2.16 -0.22 3.17 1.02 -0.95 -0.68 118.68 123.36 3rpb s LEU 582 Ca -0.11 -0.58 -0.05 0.00 0.02 0.00 0.00 54.13 53.42 3rpb s LEU 582 Cb -0.16 -1.28 0.11 0.00 0.02 0.00 0.00 46.19 44.88 3rpb s LEU 582 CO 0.06 0.26 0.39 0.86 0.02 0.00 0.00 176.35 177.95 3rpb s TRP 583 N -0.79 -0.81 -0.42 0.29 -0.00 -1.04 0.11 118.94 116.29 3rpb s TRP 583 Ca 0.11 1.15 -0.22 0.00 -0.00 0.00 0.00 56.10 57.15 3rpb s TRP 583 Cb -0.10 0.15 0.02 0.00 -0.00 0.00 0.00 33.47 33.54 3rpb s TRP 583 CO 0.02 -0.61 0.70 -1.17 -0.00 0.00 0.00 176.95 175.89 3rpb s LEU 584 N 2.58 4.33 0.60 5.86 2.96 -1.21 -1.39 118.68 132.41 3rpb s LEU 584 Ca 0.06 -0.10 0.10 0.00 -0.22 0.00 0.00 54.13 53.98 3rpb s LEU 584 Cb -0.14 -2.85 0.10 0.00 0.50 0.00 0.00 46.19 43.80 3rpb s LEU 584 CO -0.14 -0.78 0.81 -0.54 -1.32 0.00 0.00 176.35 174.38 3rpb s LYS 585 N 2.99 2.22 0.15 1.98 1.02 0.11 -4.02 119.74 124.18 3rpb s LYS 585 Ca 0.26 -1.72 -0.21 0.00 0.02 0.00 0.00 55.97 54.32 3rpb s LYS 585 Cb -0.13 -2.61 0.02 0.00 -0.52 0.00 0.00 37.83 34.59 3rpb s LYS 585 CO 0.19 -0.95 1.66 -1.00 -0.92 0.00 0.00 175.35 174.33 3rpb h PRO 586 N 0.12 -0.15 0.00 -1.68 0.13 -1.86 -0.66 132.00 127.91 3rpb h PRO 586 Ca -0.28 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3rpb h PRO 586 Cb 1.29 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3rpb h PRO 586 CO 0.41 -0.10 0.00 -3.47 -0.23 0.00 0.00 178.00 174.61 3rpb n ASP 587 N -5.32 0.00 -0.02 1.44 -0.08 -1.26 -5.05 116.55 106.26 3rpb n ASP 587 Ca -0.01 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.26 3rpb n ASP 587 Cb 0.24 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.64 3rpb n ASP 587 CO 0.00 0.00 0.00 1.15 0.12 0.00 0.00 177.20 178.47 3rpb n MET 588 N -1.20 1.80 0.00 -0.67 0.00 -1.26 -5.07 117.12 110.72 3rpb n MET 588 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 57.70 57.67 3rpb n MET 588 Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 33.22 32.03 3rpb n MET 588 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3rpb n GLY 589 N 2.35 5.19 0.00 3.17 0.00 -1.26 -5.07 105.19 109.57 3rpb n GLY 589 Ca -0.08 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3rpb n GLY 589 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3rpb n LYS 590 N 0.00 0.41 -0.11 1.61 4.81 -1.26 -4.74 118.16 118.88 3rpb n LYS 590 Ca 0.00 -0.54 0.04 0.00 -0.87 0.00 0.00 58.31 56.93 3rpb n LYS 590 Cb 0.00 -0.62 0.10 0.00 0.02 0.00 0.00 35.03 34.53 3rpb n LYS 590 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3rpb n LYS 591 N -0.08 2.90 0.26 1.64 5.02 -1.26 -4.61 118.16 122.03 3rpb n LYS 591 Ca 0.00 -1.84 0.17 0.00 -2.02 0.00 0.00 58.31 54.61 3rpb n LYS 591 Cb 0.37 -1.17 0.90 0.00 -0.02 0.00 0.00 35.03 35.10 3rpb n LYS 591 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3rpb h ALA 592 N 1.29 1.61 -2.47 7.82 0.00 -1.91 -3.42 119.26 122.18 3rpb h ALA 592 Ca 0.00 -0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 3rpb h ALA 592 Cb 0.64 0.01 0.10 0.00 0.00 0.00 0.00 17.79 18.54 3rpb h ALA 592 CO 0.00 -0.16 0.38 0.15 0.00 0.00 0.00 179.25 179.62 3rpb s LYS 593 N -4.57 2.37 0.30 0.00 1.02 -1.25 -3.31 119.74 114.30 3rpb s LYS 593 Ca -0.05 0.47 -0.20 0.00 0.02 0.00 0.00 55.97 56.22 3rpb s LYS 593 Cb 0.15 -1.96 0.03 0.00 -0.52 0.00 0.00 37.83 35.52 3rpb s LYS 593 CO 0.52 -1.38 0.75 -1.01 -0.92 0.00 0.00 175.35 173.31 3rpb s HIS 594 N -3.31 -0.12 -0.30 3.18 3.76 0.31 -4.86 115.29 113.96 3rpb s HIS 594 Ca 0.60 -0.39 -0.10 0.00 -0.15 0.00 0.00 55.06 55.02 3rpb s HIS 594 Cb -0.12 0.74 0.13 0.00 1.11 0.00 0.00 32.58 34.43 3rpb s HIS 594 CO 0.52 -1.30 0.66 -1.59 -0.85 0.00 0.00 174.74 172.19 3rpb s LYS 595 N -3.52 0.58 0.89 1.40 0.00 -1.24 -2.23 119.74 115.62 3rpb s LYS 595 Ca 0.12 1.43 -0.13 0.00 0.00 0.00 0.00 55.97 57.39 3rpb s LYS 595 Cb -0.06 0.83 0.13 0.00 0.00 0.00 0.00 37.83 38.73 3rpb s LYS 595 CO 0.08 -0.19 1.21 0.95 0.00 0.00 0.00 175.35 177.39 3rpb s THR 596 N 2.82 1.98 0.65 3.79 -4.23 0.49 -4.93 115.64 116.21 3rpb s THR 596 Ca -0.06 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.28 3rpb s THR 596 Cb -0.11 -2.93 -0.05 0.00 1.34 0.00 0.00 72.50 70.74 3rpb s THR 596 CO -0.19 0.00 0.60 0.00 -0.54 0.00 0.00 174.62 174.49 3rpb n GLN 597 N -3.59 0.46 -2.90 3.99 6.02 -1.26 -4.40 117.38 115.69 3rpb n GLN 597 Ca 0.10 0.19 -0.41 0.00 -0.01 0.00 0.00 57.00 56.87 3rpb n GLN 597 Cb 0.60 -1.84 -0.04 0.00 1.02 0.00 0.00 30.24 29.98 3rpb n GLN 597 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3rpb s ILE 598 N -1.79 4.96 -1.12 5.09 -1.09 -1.26 -4.54 121.20 121.46 3rpb s ILE 598 Ca 0.68 1.71 -0.07 0.00 -2.23 0.00 0.00 60.65 60.74 3rpb s ILE 598 Cb -0.39 -4.16 0.28 0.00 -1.58 0.00 0.00 42.46 36.61 3rpb s ILE 598 CO 0.55 0.19 1.35 0.29 -1.23 0.00 0.00 174.94 176.09 3rpb n LYS 599 N 3.97 3.98 -1.62 2.79 4.76 -0.80 -5.02 118.16 126.23 3rpb n LYS 599 Ca 0.02 -4.42 -0.44 0.00 -2.87 0.00 0.00 58.31 50.60 3rpb n LYS 599 Cb 0.51 -2.58 -0.01 0.00 -1.84 0.00 0.00 35.03 31.11 3rpb n LYS 599 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3rpb n LYS 600 N 2.26 1.52 -2.72 1.97 4.76 -1.26 -3.41 118.16 121.28 3rpb n LYS 600 Ca 0.26 0.53 -0.23 0.00 -2.87 0.00 0.00 58.31 56.01 3rpb n LYS 600 Cb 0.36 -1.98 0.02 0.00 -1.84 0.00 0.00 35.03 31.60 3rpb n LYS 600 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3rpb n LYS 601 N 0.59 -1.13 0.00 1.97 4.01 -0.13 -4.86 118.16 118.62 3rpb n LYS 601 Ca 0.08 0.91 0.00 0.00 -0.51 0.00 0.00 58.31 58.80 3rpb n LYS 601 Cb 0.34 -1.27 0.00 0.00 -0.51 0.00 0.00 35.03 33.59 3rpb n LYS 601 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 3rpb n THR 602 N 0.12 0.00 0.42 -0.18 5.66 0.56 -4.81 114.28 116.05 3rpb n THR 602 Ca -0.05 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.00 3rpb n THR 602 Cb 0.46 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.18 3rpb n THR 602 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3rpb n LEU 603 N 0.00 0.42 -2.84 1.09 4.77 -1.26 -3.92 117.00 115.26 3rpb n LEU 603 Ca 0.00 -0.40 -0.15 0.00 -0.03 0.00 0.00 56.01 55.43 3rpb n LEU 603 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3rpb n LEU 603 CO 0.00 0.10 -0.11 0.59 -1.33 0.00 0.00 177.39 176.65 3rpb n ASN 604 N -1.39 1.79 -2.13 -1.43 3.02 -1.26 -1.21 115.26 112.64 3rpb n ASN 604 Ca 0.01 -2.98 -0.01 0.00 -0.03 0.00 0.00 54.58 51.57 3rpb n ASN 604 Cb 0.20 -0.55 0.01 0.00 -0.61 0.00 0.00 39.78 38.82 3rpb n ASN 604 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3rpb n PRO 605 N -0.00 -0.15 -3.90 3.52 -0.04 -1.22 -4.83 135.00 128.38 3rpb n PRO 605 Ca 0.19 -0.10 -0.23 0.00 -0.04 0.00 0.00 63.50 63.32 3rpb n PRO 605 Cb 0.72 -0.07 -0.17 0.00 -0.04 0.00 0.00 33.50 33.94 3rpb n PRO 605 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3rpb s GLU 606 N -3.14 0.85 -0.14 0.54 2.12 -1.26 -2.65 118.70 115.02 3rpb s GLU 606 Ca 0.04 -0.02 -0.09 0.00 0.36 0.00 0.00 54.97 55.26 3rpb s GLU 606 Cb -0.00 -1.07 -0.04 0.00 0.26 0.00 0.00 34.13 33.28 3rpb s GLU 606 CO 0.03 -0.24 -0.12 0.74 -0.54 0.00 0.00 175.26 175.13 3rpb h PHE 607 N 8.01 0.00 -6.03 5.30 0.04 0.34 -3.48 116.94 121.13 3rpb h PHE 607 Ca -0.26 0.00 -0.41 0.00 2.80 0.00 0.00 57.97 60.10 3rpb h PHE 607 Cb 1.13 0.00 0.07 0.00 2.20 0.00 0.00 35.95 39.35 3rpb h PHE 607 CO 0.48 0.12 -0.81 -1.71 -0.60 0.00 0.00 178.31 175.79 3rpb n ASN 608 N -4.62 -1.61 -4.58 2.17 2.85 0.51 -4.91 115.26 105.07 3rpb n ASN 608 Ca -0.08 -0.78 -0.34 0.00 -0.11 0.00 0.00 54.58 53.27 3rpb n ASN 608 Cb 0.27 -4.24 -0.11 0.00 1.24 0.00 0.00 39.78 36.94 3rpb n ASN 608 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3rpb s GLU 609 N -5.92 3.12 -0.32 1.20 0.41 0.44 -4.92 118.70 112.70 3rpb s GLU 609 Ca 0.05 -0.50 -0.07 0.00 -0.41 0.00 0.00 54.97 54.04 3rpb s GLU 609 Cb -0.03 -2.75 0.03 0.00 -1.78 0.00 0.00 34.13 29.60 3rpb s GLU 609 CO 0.80 0.53 0.09 -1.21 -0.49 0.00 0.00 175.26 174.98 3rpb s GLU 610 N -0.44 2.81 0.57 1.61 8.01 -1.26 0.17 118.70 130.17 3rpb s GLU 610 Ca 0.07 -1.05 0.04 0.00 0.01 0.00 0.00 54.97 54.04 3rpb s GLU 610 Cb -0.12 -3.42 0.07 0.00 -4.31 0.00 0.00 34.13 26.34 3rpb s GLU 610 CO 0.02 -0.58 0.80 -0.06 0.01 0.00 0.00 175.26 175.45 3rpb s PHE 611 N 1.44 2.17 -0.11 1.61 0.40 0.72 -4.93 117.98 119.28 3rpb s PHE 611 Ca 0.00 -0.33 -0.05 0.00 -0.60 0.00 0.00 56.93 55.95 3rpb s PHE 611 Cb -0.19 -2.61 0.05 0.00 0.51 0.00 0.00 43.02 40.78 3rpb s PHE 611 CO 0.03 -1.07 0.25 0.12 0.70 0.00 0.00 175.22 175.25 3rpb s PHE 612 N -2.76 -0.35 0.20 0.36 5.36 -1.26 -2.53 117.98 117.00 3rpb s PHE 612 Ca 0.60 0.83 0.07 0.00 -0.96 0.00 0.00 56.93 57.47 3rpb s PHE 612 Cb -0.08 0.02 -0.04 0.00 -0.34 0.00 0.00 43.02 42.58 3rpb s PHE 612 CO 0.39 -0.26 0.10 0.71 -1.46 0.00 0.00 175.22 174.70 3rpb s TYR 613 N 1.57 3.01 -0.75 10.12 1.51 0.59 -4.94 117.35 128.46 3rpb s TYR 613 Ca -0.06 -0.09 0.03 0.00 -1.01 0.00 0.00 57.07 55.93 3rpb s TYR 613 Cb -0.11 -1.42 0.33 0.00 -0.11 0.00 0.00 41.96 40.65 3rpb s TYR 613 CO -0.08 0.53 1.27 -0.25 -1.11 0.00 0.00 175.55 175.90 3rpb n ASP 614 N -0.54 5.54 -4.26 2.29 9.92 -1.26 -2.10 116.55 126.15 3rpb n ASP 614 Ca -0.08 -3.67 -0.26 0.00 -0.53 0.00 0.00 54.79 50.25 3rpb n ASP 614 Cb 0.56 -0.80 -0.14 0.00 -0.64 0.00 0.00 41.12 40.10 3rpb n ASP 614 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3rpb s ILE 615 N -4.31 1.70 0.07 0.53 1.10 -1.26 -5.00 121.20 114.02 3rpb s ILE 615 Ca 0.45 -1.25 -0.30 0.00 -0.51 0.00 0.00 60.65 59.03 3rpb s ILE 615 Cb 0.24 -1.49 -0.05 0.00 0.15 0.00 0.00 42.46 41.31 3rpb s ILE 615 CO -0.13 0.18 1.13 -0.54 -2.11 0.00 0.00 174.94 173.48 3rpb s LYS 616 N -1.27 4.49 0.29 3.50 -0.14 -1.26 -4.00 119.74 121.34 3rpb s LYS 616 Ca 0.08 1.68 0.00 0.00 -1.36 0.00 0.00 55.97 56.37 3rpb s LYS 616 Cb -0.09 -3.36 0.68 0.00 -1.68 0.00 0.00 37.83 33.38 3rpb s LYS 616 CO 0.02 -0.16 1.61 1.25 -0.76 0.00 0.00 175.35 177.32 3rpb h HIS 617 N 6.53 0.11 0.00 3.18 -0.00 -1.94 1.92 115.15 124.95 3rpb h HIS 617 Ca -0.42 0.06 -0.00 0.00 -0.00 0.00 0.00 60.37 60.01 3rpb h HIS 617 Cb 1.22 0.09 -0.00 0.00 -0.00 0.00 0.00 27.41 28.72 3rpb h HIS 617 CO 0.66 -0.31 -0.00 0.66 -0.00 0.00 0.00 177.93 178.94 3rpb h SER 618 N 0.10 0.00 0.02 3.26 4.64 -2.00 -1.58 113.55 118.00 3rpb h SER 618 Ca 0.55 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.55 3rpb h SER 618 Cb 1.10 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.13 3rpb h SER 618 CO -0.77 0.00 -2.30 0.47 -0.87 0.00 0.00 176.83 173.36 3rpb n ASP 619 N -3.10 0.04 -0.10 4.97 9.92 0.61 -4.59 116.55 124.30 3rpb n ASP 619 Ca -0.03 0.02 -0.03 0.00 -0.53 0.00 0.00 54.79 54.22 3rpb n ASP 619 Cb 0.07 1.09 -0.02 0.00 -0.64 0.00 0.00 41.12 41.62 3rpb n ASP 619 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3rpb n LEU 620 N -2.69 -0.26 -0.34 0.64 4.77 0.10 0.55 117.00 119.77 3rpb n LEU 620 Ca -0.28 0.92 0.10 0.00 -0.03 0.00 0.00 56.01 56.72 3rpb n LEU 620 Cb 1.07 -0.30 0.22 0.00 -2.33 0.00 0.00 43.42 42.08 3rpb n LEU 620 CO 0.43 -0.59 0.75 0.00 -1.33 0.00 0.00 177.39 176.65 3rpb h ALA 621 N -0.36 0.93 0.00 -1.18 0.00 -1.81 2.24 119.26 119.07 3rpb h ALA 621 Ca 0.04 0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3rpb h ALA 621 Cb 0.10 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3rpb h ALA 621 CO -0.23 -0.48 0.00 0.87 0.00 0.00 0.00 179.25 179.41 3rpb h LYS 622 N 0.01 0.00 0.00 0.00 6.56 -0.17 -3.25 116.57 119.72 3rpb h LYS 622 Ca 0.53 0.00 -0.27 0.00 -1.06 0.00 0.00 60.65 59.85 3rpb h LYS 622 Cb 0.99 0.00 0.13 0.00 -0.57 0.00 0.00 32.23 32.77 3rpb h LYS 622 CO -0.94 0.00 0.14 1.63 -2.06 0.00 0.00 179.45 178.22 3rpb n LYS 623 N -2.39 -1.94 -3.15 3.15 4.76 0.76 -4.71 118.16 114.63 3rpb n LYS 623 Ca 0.01 -1.22 0.04 0.00 -2.87 0.00 0.00 58.31 54.27 3rpb n LYS 623 Cb 0.20 -1.03 -0.01 0.00 -1.84 0.00 0.00 35.03 32.35 3rpb n LYS 623 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3rpb s SER 624 N -3.70 -1.49 0.43 4.39 1.04 -0.25 -4.09 113.70 110.03 3rpb s SER 624 Ca 0.48 0.49 -0.21 0.00 0.48 0.00 0.00 55.95 57.19 3rpb s SER 624 Cb -0.04 2.08 -0.11 0.00 0.10 0.00 0.00 66.02 68.06 3rpb s SER 624 CO 0.36 -0.28 0.96 -0.22 0.98 0.00 0.00 173.24 175.03 3rpb s LEU 625 N 2.84 3.96 -0.34 2.42 2.96 0.37 0.04 118.68 130.94 3rpb s LEU 625 Ca 0.15 1.73 -0.00 0.00 -0.22 0.00 0.00 54.13 55.79 3rpb s LEU 625 Cb -0.12 -4.50 0.11 0.00 0.50 0.00 0.00 46.19 42.18 3rpb s LEU 625 CO -0.24 -0.38 0.14 -0.62 -1.32 0.00 0.00 176.35 173.93 3rpb s ASP 626 N -2.11 3.82 -0.66 3.68 -1.08 -0.48 0.21 116.67 120.05 3rpb s ASP 626 Ca 0.62 -1.90 -0.20 0.00 -0.52 0.00 0.00 52.55 50.55 3rpb s ASP 626 Cb -0.11 -0.84 0.10 0.00 -1.46 0.00 0.00 42.92 40.62 3rpb s ASP 626 CO 0.15 -0.37 0.84 -0.63 0.52 0.00 0.00 175.17 175.67 3rpb s ILE 627 N 1.30 4.68 -0.13 4.11 1.09 0.33 -2.49 121.20 130.09 3rpb s ILE 627 Ca 0.12 -0.91 -0.00 0.00 -1.10 0.00 0.00 60.65 58.76 3rpb s ILE 627 Cb -0.19 -4.59 -0.02 0.00 -1.06 0.00 0.00 42.46 36.60 3rpb s ILE 627 CO -0.18 -1.28 -0.12 -0.44 -0.10 0.00 0.00 174.94 172.83 3rpb s SER 628 N 3.60 4.06 -0.27 3.58 0.01 0.15 -0.64 113.70 124.19 3rpb s SER 628 Ca 0.17 -0.31 -0.12 0.00 1.31 0.00 0.00 55.95 57.00 3rpb s SER 628 Cb -0.19 -1.62 -0.05 0.00 0.21 0.00 0.00 66.02 64.37 3rpb s SER 628 CO 0.05 0.17 0.23 -0.69 0.41 0.00 0.00 173.24 173.41 3rpb s VAL 629 N 0.35 5.28 0.11 3.43 1.01 0.18 0.34 120.40 131.11 3rpb s VAL 629 Ca -0.10 0.28 0.10 0.00 0.00 0.00 0.00 61.98 62.25 3rpb s VAL 629 Cb -0.16 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 3rpb s VAL 629 CO 0.05 0.24 -0.22 0.26 0.00 0.00 0.00 175.10 175.43 3rpb s TRP 630 N 1.72 2.43 0.07 5.22 0.52 0.10 -1.77 118.94 127.22 3rpb s TRP 630 Ca 0.09 -0.32 -0.22 0.00 0.02 0.00 0.00 56.10 55.67 3rpb s TRP 630 Cb -0.16 -1.32 -0.06 0.00 -1.15 0.00 0.00 33.47 30.78 3rpb s TRP 630 CO 0.10 0.33 0.64 0.34 0.02 0.00 0.00 176.95 178.38 3rpb s ASP 631 N -1.96 7.13 0.50 2.95 -1.08 0.45 0.11 116.67 124.77 3rpb s ASP 631 Ca 0.15 1.34 -0.02 0.00 -0.52 0.00 0.00 52.55 53.50 3rpb s ASP 631 Cb -0.10 -2.40 -0.00 0.00 -1.46 0.00 0.00 42.92 38.95 3rpb s ASP 631 CO 0.07 0.19 0.76 -0.47 0.52 0.00 0.00 175.17 176.24 3rpb s TYR 632 N -0.75 3.24 -0.25 -5.34 6.14 0.65 0.11 117.35 121.15 3rpb s TYR 632 Ca 0.32 0.40 -0.16 0.00 0.64 0.00 0.00 57.07 58.28 3rpb s TYR 632 Cb -0.20 -2.47 0.07 0.00 0.42 0.00 0.00 41.96 39.78 3rpb s TYR 632 CO 0.20 -0.53 0.63 -0.51 0.64 0.00 0.00 175.55 175.98 3rpb s ASP 633 N -4.25 -0.82 -0.15 4.32 1.11 -1.26 -4.39 116.67 111.23 3rpb s ASP 633 Ca 0.50 1.36 -0.24 0.00 0.18 0.00 0.00 52.55 54.35 3rpb s ASP 633 Cb -0.10 1.26 -0.02 0.00 1.07 0.00 0.00 42.92 45.12 3rpb s ASP 633 CO 0.41 -0.23 0.75 0.27 1.18 0.00 0.00 175.17 177.55 3rpb s ILE 634 N 1.36 4.95 0.00 0.77 -0.00 -1.26 -3.60 121.20 123.42 3rpb s ILE 634 Ca -0.08 1.48 0.00 0.00 -0.00 0.00 0.00 60.65 62.05 3rpb s ILE 634 Cb -0.06 -4.07 0.00 0.00 -0.00 0.00 0.00 42.46 38.34 3rpb s ILE 634 CO -0.15 0.09 0.00 0.61 -0.00 0.00 0.00 174.94 175.50 3rpb n GLY 635 N 3.48 2.10 0.00 6.27 0.00 -1.26 -4.98 105.19 110.79 3rpb n GLY 635 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3rpb n GLY 635 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3rpb n LYS 636 N -2.00 1.17 -3.77 1.61 5.02 -1.24 -5.15 118.16 113.80 3rpb n LYS 636 Ca 0.00 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 3rpb n LYS 636 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 34.96 3rpb n LYS 636 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3rpb s SER 637 N -0.82 6.49 0.74 4.39 1.04 -1.26 -4.71 113.70 119.57 3rpb s SER 637 Ca 0.00 0.55 -0.03 0.00 0.48 0.00 0.00 55.95 56.95 3rpb s SER 637 Cb 0.00 -2.09 0.05 0.00 0.10 0.00 0.00 66.02 64.08 3rpb s SER 637 CO 0.00 0.27 0.12 -0.46 0.98 0.00 0.00 173.24 174.15 3rpb n ASN 638 N 1.23 -1.72 -3.75 7.02 2.04 -1.26 -4.63 115.26 114.18 3rpb n ASN 638 Ca -0.12 -0.12 -0.11 0.00 -0.44 0.00 0.00 54.58 53.79 3rpb n ASN 638 Cb 0.53 -0.17 -0.07 0.00 -2.53 0.00 0.00 39.78 37.54 3rpb n ASN 638 CO 0.00 0.00 0.00 -1.81 -0.44 0.00 0.00 177.26 175.01 3rpb s ASP 639 N -1.78 -0.09 -0.29 0.53 1.11 0.30 -4.93 116.67 111.51 3rpb s ASP 639 Ca 0.09 -0.30 -0.17 0.00 0.18 0.00 0.00 52.55 52.35 3rpb s ASP 639 Cb -0.02 0.37 -0.02 0.00 1.07 0.00 0.00 42.92 44.32 3rpb s ASP 639 CO 0.08 -0.67 0.48 -0.47 1.18 0.00 0.00 175.17 175.76 3rpb s TYR 640 N -3.00 3.23 -0.24 4.23 6.14 -1.26 0.17 117.35 126.62 3rpb s TYR 640 Ca -0.02 0.43 -0.08 0.00 0.64 0.00 0.00 57.07 58.04 3rpb s TYR 640 Cb 0.01 -2.75 -0.17 0.00 0.42 0.00 0.00 41.96 39.47 3rpb s TYR 640 CO -0.06 -0.35 -0.15 -0.89 0.64 0.00 0.00 175.55 174.74 3rpb n ILE 641 N 5.23 1.55 0.00 3.14 5.41 -0.78 -4.86 119.36 129.05 3rpb n ILE 641 Ca -0.05 -0.45 0.00 0.00 1.00 0.00 0.00 62.75 63.25 3rpb n ILE 641 Cb 0.50 -1.71 0.00 0.00 -0.71 0.00 0.00 39.64 37.72 3rpb n ILE 641 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3rpb n GLY 642 N 1.75 3.09 0.00 7.39 0.00 -0.73 -4.86 105.19 111.83 3rpb n GLY 642 Ca -0.46 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3rpb n GLY 642 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3rpb n GLY 643 N -0.96 1.98 3.68 -0.02 0.00 0.18 0.48 105.19 110.53 3rpb n GLY 643 Ca 0.00 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.17 3rpb n GLY 643 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3rpb s GLN 645 N -3.66 3.05 -0.39 0.00 -0.21 -1.26 -0.51 119.66 116.68 3rpb s GLN 645 Ca 0.08 -0.65 0.02 0.00 0.02 0.00 0.00 55.36 54.83 3rpb s GLN 645 Cb -0.03 -2.58 0.11 0.00 1.00 0.00 0.00 33.01 31.51 3rpb s GLN 645 CO -0.01 0.42 0.13 -0.51 -2.12 0.00 0.00 175.29 173.19 3rpb s LEU 646 N -0.17 4.88 -0.00 2.90 1.43 0.56 -4.94 118.68 123.34 3rpb s LEU 646 Ca 0.00 -2.23 -0.02 0.00 -1.03 0.00 0.00 54.13 50.85 3rpb s LEU 646 Cb -0.13 -1.69 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 3rpb s LEU 646 CO 0.03 -0.41 0.04 -0.83 0.23 0.00 0.00 176.35 175.41 3rpb s GLY 647 N 1.04 0.06 0.25 -3.19 0.00 -1.26 0.14 107.32 104.36 3rpb s GLY 647 Ca 0.11 -0.12 0.16 0.00 0.00 0.00 0.00 44.72 44.87 3rpb s GLY 647 CO -0.06 -0.17 1.46 4.51 0.00 0.00 0.00 173.10 178.84 3rpb n ILE 648 N 2.37 1.16 1.16 0.90 3.06 -1.23 -0.14 119.36 126.65 3rpb n ILE 648 Ca -0.17 0.69 0.03 0.00 -2.50 0.00 0.00 62.75 60.80 3rpb n ILE 648 Cb 0.58 -1.69 0.10 0.00 0.54 0.00 0.00 39.64 39.16 3rpb n ILE 648 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 3rpb n SER 649 N -2.06 1.35 -4.62 9.51 2.88 -1.26 -4.86 113.62 114.56 3rpb n SER 649 Ca -0.01 -2.05 -0.24 0.00 -1.33 0.00 0.00 58.87 55.23 3rpb n SER 649 Cb 0.07 -0.22 0.12 0.00 -0.75 0.00 0.00 64.21 63.43 3rpb n SER 649 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3rpb s ALA 650 N -1.68 3.59 -0.21 -1.46 0.00 0.81 -5.10 121.76 117.72 3rpb s ALA 650 Ca 0.14 -1.72 -0.13 0.00 0.00 0.00 0.00 51.96 50.25 3rpb s ALA 650 Cb 0.08 -2.05 0.06 0.00 0.00 0.00 0.00 23.12 21.21 3rpb s ALA 650 CO 0.08 -1.56 0.51 0.15 0.00 0.00 0.00 175.76 174.94 3rpb s LYS 651 N -5.21 0.53 0.00 0.00 -0.14 -1.26 -4.67 119.74 108.99 3rpb s LYS 651 Ca 0.67 0.90 0.00 0.00 -1.36 0.00 0.00 55.97 56.18 3rpb s LYS 651 Cb -0.05 0.09 0.00 0.00 -1.68 0.00 0.00 37.83 36.19 3rpb s LYS 651 CO 0.45 -0.14 0.00 0.41 -0.76 0.00 0.00 175.35 175.31 3rpb n GLY 652 N 3.96 2.28 0.00 -3.33 0.00 -1.26 -4.77 105.19 102.07 3rpb n GLY 652 Ca -0.20 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3rpb n GLY 652 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3rpb n GLU 653 N 0.00 0.00 -0.28 1.61 1.02 -1.26 -4.90 120.64 116.82 3rpb n GLU 653 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 3rpb n GLU 653 Cb 0.00 -0.23 0.19 0.00 -0.02 0.00 0.00 31.44 31.37 3rpb n GLU 653 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3rpb h ARG 654 N 0.00 0.65 -0.58 3.49 3.08 -1.92 -0.97 114.38 118.13 3rpb h ARG 654 Ca 0.00 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.07 3rpb h ARG 654 Cb 0.00 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 29.85 3rpb h ARG 654 CO 0.00 0.43 0.29 1.25 -1.07 0.00 0.00 179.97 180.88 3rpb h LEU 655 N 0.67 0.41 -0.77 3.04 5.85 -1.83 0.35 115.31 123.04 3rpb h LEU 655 Ca 0.42 0.04 0.04 0.00 0.84 0.00 0.00 57.88 59.21 3rpb h LEU 655 Cb 0.49 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 3rpb h LEU 655 CO -0.30 0.27 0.48 0.11 -0.34 0.00 0.00 178.44 178.65 3rpb h LYS 656 N 0.55 0.88 0.16 1.25 1.57 -1.55 -0.44 116.57 119.00 3rpb h LYS 656 Ca 0.26 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 3rpb h LYS 656 Cb 0.19 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3rpb h LYS 656 CO -0.19 0.58 -0.08 1.25 -0.57 0.00 0.00 179.45 180.45 3rpb h HIS 657 N 0.90 -0.20 0.00 -1.35 2.76 -0.75 -2.81 115.15 113.70 3rpb h HIS 657 Ca 0.32 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 3rpb h HIS 657 Cb 0.08 0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.11 3rpb h HIS 657 CO -0.04 -0.13 0.00 1.87 -1.30 0.00 0.00 177.93 178.33 3rpb n TRP 658 N -3.27 0.00 -0.26 5.26 -0.00 0.11 -2.62 117.44 116.67 3rpb n TRP 658 Ca -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 57.50 57.47 3rpb n TRP 658 Cb 0.09 0.00 0.03 0.00 -0.00 0.00 0.00 31.31 31.43 3rpb n TRP 658 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 3rpb n TYR 659 N -0.75 0.04 -0.32 5.87 4.19 -0.18 0.91 117.16 126.92 3rpb n TYR 659 Ca 0.00 0.84 0.10 0.00 3.31 0.00 0.00 57.90 62.15 3rpb n TYR 659 Cb 0.00 -0.77 0.21 0.00 0.49 0.00 0.00 39.34 39.27 3rpb n TYR 659 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 3rpb n GLU 660 N -5.02 -0.08 -0.34 2.98 -0.58 -1.06 0.27 120.64 116.82 3rpb n GLU 660 Ca 0.07 1.38 0.23 0.00 -0.42 0.00 0.00 57.16 58.42 3rpb n GLU 660 Cb 0.28 -2.14 0.47 0.00 -0.57 0.00 0.00 31.44 29.49 3rpb n GLU 660 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3rpb h LEU 662 N 0.37 0.00 0.09 0.00 4.07 0.38 0.40 115.31 120.63 3rpb h LEU 662 Ca 0.71 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 58.40 3rpb h LEU 662 Cb 1.62 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.35 3rpb h LEU 662 CO -0.53 0.34 -1.41 0.11 -1.08 0.00 0.00 178.44 175.87 3rpb h LYS 663 N 0.00 0.20 -2.09 1.13 1.57 0.29 -3.38 116.57 114.29 3rpb h LYS 663 Ca -0.00 -0.34 -0.71 0.00 -1.87 0.00 0.00 60.65 57.73 3rpb h LYS 663 Cb 0.67 0.13 -0.33 0.00 0.08 0.00 0.00 32.23 32.77 3rpb h LYS 663 CO 0.04 1.16 0.35 0.09 -0.57 0.00 0.00 179.45 180.53 3rpb n ASN 664 N -3.98 6.28 0.00 0.86 3.02 0.48 -4.94 115.26 116.99 3rpb n ASN 664 Ca -0.26 -3.73 0.00 0.00 -0.03 0.00 0.00 54.58 50.56 3rpb n ASN 664 Cb 0.87 -0.89 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 3rpb n ASN 664 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3rpb n LYS 665 N -0.28 0.00 -0.42 3.52 4.01 0.12 -1.00 118.16 124.11 3rpb n LYS 665 Ca 0.43 0.00 0.39 0.00 -0.51 0.00 0.00 58.31 58.62 3rpb n LYS 665 Cb 0.35 -0.50 0.59 0.00 -0.51 0.00 0.00 35.03 34.96 3rpb n LYS 665 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 3rpb n ASP 666 N -0.00 0.00 -4.87 4.39 2.03 -0.96 -2.30 116.55 114.83 3rpb n ASP 666 Ca 0.00 0.86 -0.31 0.00 0.52 0.00 0.00 54.79 55.86 3rpb n ASP 666 Cb 0.00 -0.36 0.02 0.00 -0.72 0.00 0.00 41.12 40.06 3rpb n ASP 666 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3rpb s LYS 667 N -4.61 3.43 -0.08 -0.67 -0.14 -0.17 -4.88 119.74 112.63 3rpb s LYS 667 Ca -0.04 0.68 -0.05 0.00 -1.36 0.00 0.00 55.97 55.21 3rpb s LYS 667 Cb 0.19 -2.07 -0.04 0.00 -1.68 0.00 0.00 37.83 34.24 3rpb s LYS 667 CO 0.65 -0.67 0.12 0.15 -0.76 0.00 0.00 175.35 174.83 3rpb s LYS 668 N -5.22 3.33 -0.43 1.68 1.02 -1.26 -4.22 119.74 114.64 3rpb s LYS 668 Ca 0.56 -0.26 0.03 0.00 0.02 0.00 0.00 55.97 56.32 3rpb s LYS 668 Cb -0.11 -3.07 0.12 0.00 -0.52 0.00 0.00 37.83 34.25 3rpb s LYS 668 CO 0.53 0.73 0.19 0.42 -0.92 0.00 0.00 175.35 176.30 3rpb s ILE 669 N -1.09 1.94 -0.04 2.17 -1.09 0.11 -4.88 121.20 118.31 3rpb s ILE 669 Ca 0.18 -2.63 0.01 0.00 -2.23 0.00 0.00 60.65 55.98 3rpb s ILE 669 Cb -0.12 -2.38 -0.03 0.00 -1.58 0.00 0.00 42.46 38.35 3rpb s ILE 669 CO 0.08 -0.77 -0.03 -1.83 -1.23 0.00 0.00 174.94 171.16 3rpb s GLU 670 N 0.40 2.80 0.05 2.79 1.03 -1.26 0.54 118.70 125.06 3rpb s GLU 670 Ca 0.15 -0.55 -0.27 0.00 0.03 0.00 0.00 54.97 54.33 3rpb s GLU 670 Cb -0.23 -2.66 0.09 0.00 -0.80 0.00 0.00 34.13 30.53 3rpb s GLU 670 CO -0.05 0.66 0.87 -0.98 -1.33 0.00 0.00 175.26 174.43 3rpb s ARG 671 N -1.13 0.96 -0.10 -4.83 1.04 -0.71 -4.97 118.95 109.22 3rpb s ARG 671 Ca 0.15 -0.40 -0.19 0.00 -1.04 0.00 0.00 55.73 54.25 3rpb s ARG 671 Cb -0.11 0.41 -0.04 0.00 -2.04 0.00 0.00 34.95 33.17 3rpb s ARG 671 CO 0.05 -0.43 0.52 -1.58 -0.04 0.00 0.00 175.30 173.82 3rpb s TRP 672 N -3.24 3.54 -0.13 5.89 0.52 -1.26 -1.76 118.94 122.50 3rpb s TRP 672 Ca 0.06 0.96 -0.01 0.00 0.02 0.00 0.00 56.10 57.13 3rpb s TRP 672 Cb -0.01 -2.59 -0.02 0.00 -1.15 0.00 0.00 33.47 29.70 3rpb s TRP 672 CO -0.07 0.18 -0.09 -1.01 0.02 0.00 0.00 176.95 175.98 3rpb s HIS 673 N 0.56 2.91 -0.37 -1.98 3.76 -0.95 -4.95 115.29 114.26 3rpb s HIS 673 Ca 0.28 -0.41 -0.29 0.00 -0.15 0.00 0.00 55.06 54.49 3rpb s HIS 673 Cb -0.16 -1.87 0.01 0.00 1.11 0.00 0.00 32.58 31.68 3rpb s HIS 673 CO 0.12 -0.07 1.23 -0.65 -0.85 0.00 0.00 174.74 174.53 3rpb s GLN 674 N 0.19 3.84 0.12 1.40 -0.21 -1.26 -1.81 119.66 121.93 3rpb s GLN 674 Ca -0.05 0.98 -0.35 0.00 0.02 0.00 0.00 55.36 55.97 3rpb s GLN 674 Cb -0.14 -3.88 -0.14 0.00 1.00 0.00 0.00 33.01 29.84 3rpb s GLN 674 CO 0.04 -1.22 1.55 1.28 -2.12 0.00 0.00 175.29 174.81 3rpb n LEU 675 N 7.74 2.78 -4.46 2.90 4.77 -0.37 -4.70 117.00 125.66 3rpb n LEU 675 Ca 0.14 1.08 -0.23 0.00 -0.03 0.00 0.00 56.01 56.97 3rpb n LEU 675 Cb 0.48 -1.37 -0.10 0.00 -2.33 0.00 0.00 43.42 40.10 3rpb n LEU 675 CO 0.66 -0.44 -0.40 -1.10 -1.33 0.00 0.00 177.39 174.77 3rpb s GLN 676 N 1.04 1.63 -0.23 3.23 -1.52 0.70 -4.57 119.66 119.94 3rpb s GLN 676 Ca 0.81 -1.80 -0.15 0.00 -1.95 0.00 0.00 55.36 52.27 3rpb s GLN 676 Cb -0.75 -1.43 -0.04 0.00 -0.22 0.00 0.00 33.01 30.57 3rpb s GLN 676 CO 0.41 0.14 0.36 -0.80 -0.25 0.00 0.00 175.29 175.16 3rpb s ASN 677 N -3.49 6.34 -0.23 5.90 -0.87 -1.26 0.50 114.94 121.83 3rpb s ASN 677 Ca 0.30 0.40 -0.06 0.00 -1.57 0.00 0.00 52.86 51.93 3rpb s ASN 677 Cb 0.01 -2.21 -0.12 0.00 -0.02 0.00 0.00 41.25 38.91 3rpb s ASN 677 CO 0.13 -0.10 -0.26 1.21 -2.57 0.00 0.00 177.10 175.52 3rpb n GLU 678 N 4.73 0.53 0.00 -0.60 2.13 -1.26 -4.99 120.64 121.19 3rpb n GLU 678 Ca -0.09 0.18 0.00 0.00 0.66 0.00 0.00 57.16 57.91 3rpb n GLU 678 Cb 0.51 -1.40 0.00 0.00 0.27 0.00 0.00 31.44 30.82 3rpb n GLU 678 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3rpb n ASN 679 N -3.66 0.00 0.00 4.31 4.13 -1.26 -5.22 115.26 113.56 3rpb n ASN 679 Ca -0.44 0.00 0.00 0.00 1.68 0.00 0.00 54.58 55.82 3rpb n ASN 679 Cb 0.87 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.11 3rpb n ASN 679 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95