#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 1.07 2.87 -0.13 0.00 -0.06 -1.75 105.19 107.19 3rpb n GLY 542 Ca 0.00 -2.27 -0.13 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.10 0.02 -0.15 1.61 1.02 0.13 -2.02 119.74 119.25 3rpb s LYS 543 Ca 0.00 0.12 -0.01 0.00 0.02 0.00 0.00 55.97 56.10 3rpb s LYS 543 Cb 0.00 -0.08 -0.01 0.00 -0.52 0.00 0.00 37.83 37.22 3rpb s LYS 543 CO 0.00 -0.07 -0.11 -1.50 -0.92 0.00 0.00 175.35 172.75 3rpb s ILE 544 N 0.43 3.11 -0.15 2.17 -1.16 -0.67 0.89 121.20 125.81 3rpb s ILE 544 Ca -0.03 -0.63 -0.29 0.00 -0.51 0.00 0.00 60.65 59.19 3rpb s ILE 544 Cb -0.05 -2.33 -0.00 0.00 0.61 0.00 0.00 42.46 40.68 3rpb s ILE 544 CO -0.01 0.50 1.04 -0.22 -2.81 0.00 0.00 174.94 173.44 3rpb s LEU 545 N 0.60 4.19 -0.05 8.50 2.96 0.50 -1.84 118.68 133.55 3rpb s LEU 545 Ca -0.07 1.49 0.07 0.00 -0.22 0.00 0.00 54.13 55.40 3rpb s LEU 545 Cb -0.15 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 3rpb s LEU 545 CO 0.03 -0.55 -0.25 -0.69 -1.32 0.00 0.00 176.35 173.57 3rpb s VAL 546 N 2.52 2.05 -0.22 1.68 1.01 0.25 -1.88 120.40 125.80 3rpb s VAL 546 Ca 0.47 -1.08 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 3rpb s VAL 546 Cb -0.17 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.49 3rpb s VAL 546 CO 0.14 0.57 -0.08 -0.94 0.00 0.00 0.00 175.10 174.79 3rpb s SER 547 N -0.29 4.06 0.21 3.32 1.04 0.48 -1.28 113.70 121.24 3rpb s SER 547 Ca 0.00 -0.63 0.05 0.00 0.48 0.00 0.00 55.95 55.85 3rpb s SER 547 Cb -0.13 -1.66 -0.03 0.00 0.10 0.00 0.00 66.02 64.30 3rpb s SER 547 CO 0.02 -0.06 0.26 -0.76 0.98 0.00 0.00 173.24 173.69 3rpb s LEU 548 N 1.38 4.11 0.00 2.42 1.43 -0.62 0.23 118.68 127.63 3rpb s LEU 548 Ca 0.03 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 3rpb s LEU 548 Cb -0.15 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.41 3rpb s LEU 548 CO -0.06 -0.01 0.00 0.80 0.23 0.00 0.00 176.35 177.31 3rpb n MET 549 N -0.97 0.00 -4.09 1.70 1.56 -0.38 0.20 117.12 115.14 3rpb n MET 549 Ca -0.08 0.00 -0.34 0.00 -0.27 0.00 0.00 57.70 57.00 3rpb n MET 549 Cb 0.56 0.00 -0.11 0.00 2.15 0.00 0.00 33.22 35.83 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 3.17 -0.63 1.12 6.14 -0.97 0.20 117.35 126.38 3rpb s TYR 550 Ca 0.00 -0.07 -0.14 0.00 0.64 0.00 0.00 57.07 57.50 3rpb s TYR 550 Cb 0.00 -2.06 0.16 0.00 0.42 0.00 0.00 41.96 40.48 3rpb s TYR 550 CO 0.00 0.06 0.57 0.45 0.64 0.00 0.00 175.55 177.27 3rpb s SER 551 N 0.49 6.30 0.30 4.32 0.15 0.10 -2.18 113.70 123.18 3rpb s SER 551 Ca 0.01 -2.15 -0.00 0.00 0.70 0.00 0.00 55.95 54.51 3rpb s SER 551 Cb -0.13 -2.18 0.46 0.00 -1.71 0.00 0.00 66.02 62.46 3rpb s SER 551 CO 0.01 -0.73 1.88 0.71 1.20 0.00 0.00 173.24 176.31 3rpb h THR 552 N 5.52 1.21 -0.80 6.45 1.35 -1.92 0.66 112.91 125.37 3rpb h THR 552 Ca -0.14 -0.67 0.17 0.00 -0.55 0.00 0.00 66.41 65.22 3rpb h THR 552 Cb 1.07 0.53 -0.11 0.00 -1.73 0.00 0.00 68.15 67.92 3rpb h THR 552 CO 0.91 0.26 0.30 1.56 -0.25 0.00 0.00 175.52 178.31 3rpb h GLN 553 N 0.83 0.38 0.00 4.72 7.50 -1.94 0.24 115.11 126.84 3rpb h GLN 553 Ca 0.20 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.32 3rpb h GLN 553 Cb 0.18 -0.09 0.00 0.00 0.05 0.00 0.00 27.48 27.62 3rpb h GLN 553 CO -0.02 0.25 -0.95 1.04 -1.50 0.00 0.00 178.83 177.66 3rpb n GLN 554 N -5.05 0.38 -2.84 1.46 6.02 -0.82 -4.98 117.38 111.56 3rpb n GLN 554 Ca 0.17 0.04 -0.08 0.00 -0.01 0.00 0.00 57.00 57.12 3rpb n GLN 554 Cb 0.50 -1.67 0.03 0.00 1.02 0.00 0.00 30.24 30.12 3rpb n GLN 554 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3rpb n GLY 555 N 1.31 0.38 3.59 1.08 0.00 0.22 -5.04 105.19 106.73 3rpb n GLY 555 Ca 0.02 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.16 0.42 0.36 -0.02 0.00 -0.56 -4.29 107.32 100.07 3rpb s GLY 556 Ca 0.18 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.14 3rpb s GLY 556 CO 0.26 -0.56 0.57 -2.27 0.00 0.00 0.00 173.10 171.10 3rpb s LEU 557 N -2.99 3.97 -0.09 0.66 2.96 -0.66 0.03 118.68 122.56 3rpb s LEU 557 Ca 0.20 0.48 0.00 0.00 -0.22 0.00 0.00 54.13 54.60 3rpb s LEU 557 Cb -0.01 -3.36 0.02 0.00 0.50 0.00 0.00 46.19 43.35 3rpb s LEU 557 CO 0.07 -0.33 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.06 3rpb s ILE 558 N -2.36 0.97 -0.22 6.68 -1.09 0.54 0.16 121.20 125.89 3rpb s ILE 558 Ca 0.41 -0.29 -0.03 0.00 -2.23 0.00 0.00 60.65 58.50 3rpb s ILE 558 Cb -0.10 -0.98 -0.00 0.00 -1.58 0.00 0.00 42.46 39.81 3rpb s ILE 558 CO 0.37 0.35 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.67 3rpb s VAL 559 N 1.42 3.14 -0.27 2.92 1.01 -1.09 -1.25 120.40 126.28 3rpb s VAL 559 Ca -0.01 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 3rpb s VAL 559 Cb -0.13 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.83 3rpb s VAL 559 CO -0.05 0.42 0.01 -0.83 0.00 0.00 0.00 175.10 174.65 3rpb s GLY 560 N 1.44 1.70 -0.73 4.51 0.00 0.64 0.26 107.32 115.14 3rpb s GLY 560 Ca 0.05 -1.44 -0.19 0.00 0.00 0.00 0.00 44.72 43.14 3rpb s GLY 560 CO -0.05 0.58 0.88 -0.42 0.00 0.00 0.00 173.10 174.09 3rpb s ILE 561 N 1.41 4.79 0.00 0.90 -1.09 0.47 0.18 121.20 127.87 3rpb s ILE 561 Ca 0.02 -1.21 0.00 0.00 -2.23 0.00 0.00 60.65 57.22 3rpb s ILE 561 Cb -0.17 -4.61 0.00 0.00 -1.58 0.00 0.00 42.46 36.10 3rpb s ILE 561 CO -0.01 -1.29 0.36 -0.38 -1.23 0.00 0.00 174.94 172.39 3rpb n ILE 562 N 5.42 0.00 -3.83 2.92 -0.00 -0.79 0.18 119.36 123.26 3rpb n ILE 562 Ca 0.04 0.75 -0.07 0.00 -0.00 0.00 0.00 62.75 63.47 3rpb n ILE 562 Cb 0.45 -1.54 0.01 0.00 -0.00 0.00 0.00 39.64 38.56 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 -1.33 1.88 0.16 0.38 1.70 -1.23 0.26 118.95 120.77 3rpb s ARG 563 Ca 0.00 -1.14 0.06 0.00 -0.47 0.00 0.00 55.73 54.17 3rpb s ARG 563 Cb 0.00 0.57 -0.04 0.00 -0.57 0.00 0.00 34.95 34.90 3rpb s ARG 563 CO 0.00 -0.87 -0.12 0.00 -1.08 0.00 0.00 175.30 173.23 3rpb s VAL 565 N -3.06 0.06 -1.21 0.00 -7.23 0.26 -3.74 120.40 105.49 3rpb s VAL 565 Ca 0.18 -0.48 -0.05 0.00 -1.81 0.00 0.00 61.98 59.81 3rpb s VAL 565 Cb 0.00 -0.25 -0.02 0.00 0.56 0.00 0.00 36.38 36.67 3rpb s VAL 565 CO 0.03 -0.27 0.80 1.41 -0.31 0.00 0.00 175.10 176.76 3rpb n HIS 566 N 2.13 -2.06 -3.05 2.82 8.25 -1.20 0.18 115.22 122.30 3rpb n HIS 566 Ca -0.19 0.78 -0.35 0.00 -0.26 0.00 0.00 57.72 57.70 3rpb n HIS 566 Cb 0.57 -4.23 -0.06 0.00 1.12 0.00 0.00 29.99 27.39 3rpb n HIS 566 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3rpb s LEU 567 N -6.33 4.26 0.53 2.41 1.43 -0.90 -0.88 118.68 119.20 3rpb s LEU 567 Ca 0.19 1.46 -0.21 0.00 -1.03 0.00 0.00 54.13 54.54 3rpb s LEU 567 Cb -0.05 -3.81 -0.06 0.00 0.03 0.00 0.00 46.19 42.31 3rpb s LEU 567 CO 0.80 -0.06 1.23 0.00 0.23 0.00 0.00 176.35 178.55 3rpb s ALA 568 N -1.67 2.79 -0.28 4.21 0.00 -0.72 -4.77 121.76 121.33 3rpb s ALA 568 Ca 0.47 1.06 0.01 0.00 0.00 0.00 0.00 51.96 53.50 3rpb s ALA 568 Cb -0.15 -3.45 0.05 0.00 0.00 0.00 0.00 23.12 19.57 3rpb s ALA 568 CO 0.20 -1.00 -0.06 0.00 0.00 0.00 0.00 175.76 174.89 3rpb s ALA 569 N -1.50 2.68 -0.12 0.00 0.00 -1.26 -4.36 121.76 117.19 3rpb s ALA 569 Ca 0.70 -1.76 0.16 0.00 0.00 0.00 0.00 51.96 51.06 3rpb s ALA 569 Cb -0.32 -1.74 -0.07 0.00 0.00 0.00 0.00 23.12 20.99 3rpb s ALA 569 CO 0.37 -1.22 1.06 0.52 0.00 0.00 0.00 175.76 176.49 3rpb h MET 570 N 7.87 0.00 -7.11 0.00 2.86 -1.85 -3.43 114.93 113.28 3rpb h MET 570 Ca -0.20 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 56.92 3rpb h MET 570 Cb 1.05 0.00 0.10 0.00 0.06 0.00 0.00 31.60 32.81 3rpb h MET 570 CO 0.49 0.39 0.44 -0.51 1.06 0.00 0.00 176.91 178.79 3rpb s ASP 571 N -6.06 5.36 0.00 1.22 1.11 -1.03 -4.88 116.67 112.39 3rpb s ASP 571 Ca -0.00 2.26 0.11 0.00 0.18 0.00 0.00 52.55 55.10 3rpb s ASP 571 Cb 0.08 -2.59 0.55 0.00 1.07 0.00 0.00 42.92 42.04 3rpb s ASP 571 CO 0.79 -1.47 1.29 0.00 1.18 0.00 0.00 175.17 176.96 3rpb n ALA 572 N -1.60 1.65 1.05 5.23 0.00 -1.26 -1.66 120.51 123.93 3rpb n ALA 572 Ca 0.12 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.65 3rpb n ALA 572 Cb 0.50 -1.18 0.49 0.00 0.00 0.00 0.00 19.45 19.26 3rpb n ALA 572 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3rpb n ASN 573 N -1.34 0.23 0.00 0.00 4.05 -1.26 -4.91 115.26 112.03 3rpb n ASN 573 Ca 0.05 0.11 0.00 0.00 0.45 0.00 0.00 54.58 55.19 3rpb n ASN 573 Cb 0.10 -0.19 0.00 0.00 1.23 0.00 0.00 39.78 40.92 3rpb n ASN 573 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3rpb n GLY 574 N 1.47 0.76 0.00 8.20 0.00 -0.66 -5.05 105.19 109.91 3rpb n GLY 574 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.35 0.00 -3.94 1.61 4.02 -1.26 -4.56 117.16 110.68 3rpb n TYR 575 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 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 0.43 -1.01 0.00 0.00 176.86 176.28 3rpb n SER 576 N -1.50 -1.77 -2.86 7.72 7.64 -1.26 -2.47 113.62 119.13 3rpb n SER 576 Ca 0.00 -2.78 -0.24 0.00 1.01 0.00 0.00 58.87 56.87 3rpb n SER 576 Cb 0.00 3.11 -0.02 0.00 -1.01 0.00 0.00 64.21 66.28 3rpb n SER 576 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3rpb n ASP 577 N -1.58 3.58 -4.76 6.43 9.92 -1.25 0.03 116.55 128.92 3rpb n ASP 577 Ca -0.03 -3.48 -0.38 0.00 -0.53 0.00 0.00 54.79 50.36 3rpb n ASP 577 Cb 0.59 -0.55 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 -3.26 3.53 0.08 -0.24 0.04 -1.14 0.26 135.00 134.27 3rpb s PRO 578 Ca 0.45 2.08 -0.08 0.00 0.04 0.00 0.00 61.00 63.50 3rpb s PRO 578 Cb 0.34 -2.42 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 3rpb s PRO 578 CO -0.12 -0.83 0.17 -0.59 0.04 0.00 0.00 177.00 175.66 3rpb s PHE 579 N -1.37 0.18 -0.13 0.56 -0.71 0.61 -0.64 117.98 116.48 3rpb s PHE 579 Ca 0.66 -0.60 -0.02 0.00 -1.04 0.00 0.00 56.93 55.92 3rpb s PHE 579 Cb -0.36 -0.09 -0.02 0.00 -1.21 0.00 0.00 43.02 41.33 3rpb s PHE 579 CO 0.44 -0.51 -0.07 0.08 -1.34 0.00 0.00 175.22 173.82 3rpb s VAL 580 N -3.74 3.59 -0.11 -2.49 1.01 -1.26 -0.44 120.40 116.96 3rpb s VAL 580 Ca 0.04 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.56 3rpb s VAL 580 Cb 0.05 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 33.88 3rpb s VAL 580 CO -0.10 0.52 -0.18 -0.54 0.00 0.00 0.00 175.10 174.80 3rpb s LYS 581 N 0.18 3.20 -0.04 2.72 1.02 0.16 0.19 119.74 127.18 3rpb s LYS 581 Ca -0.04 -0.77 0.06 0.00 0.02 0.00 0.00 55.97 55.23 3rpb s LYS 581 Cb -0.14 -2.47 -0.01 0.00 -0.52 0.00 0.00 37.83 34.68 3rpb s LYS 581 CO 0.04 0.21 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.95 3rpb s LEU 582 N 0.31 2.02 -0.11 3.17 1.02 -0.98 -0.52 118.68 123.59 3rpb s LEU 582 Ca -0.14 -0.44 -0.04 0.00 0.02 0.00 0.00 54.13 53.53 3rpb s LEU 582 Cb -0.17 -1.21 0.05 0.00 0.02 0.00 0.00 46.19 44.89 3rpb s LEU 582 CO 0.07 0.23 0.17 0.86 0.02 0.00 0.00 176.35 177.70 3rpb s TRP 583 N -0.20 -0.19 -0.41 0.29 -0.00 -1.11 0.36 118.94 117.67 3rpb s TRP 583 Ca -0.00 0.55 -0.19 0.00 -0.00 0.00 0.00 56.10 56.46 3rpb s TRP 583 Cb -0.12 -0.27 0.02 0.00 -0.00 0.00 0.00 33.47 33.09 3rpb s TRP 583 CO 0.02 -0.33 0.54 -1.17 -0.00 0.00 0.00 176.95 176.01 3rpb s LEU 584 N 2.30 4.59 0.34 5.86 2.96 -1.14 -2.27 118.68 131.32 3rpb s LEU 584 Ca 0.03 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 3rpb s LEU 584 Cb -0.13 -2.57 -0.02 0.00 0.50 0.00 0.00 46.19 43.97 3rpb s LEU 584 CO -0.07 -0.64 0.51 -0.54 -1.32 0.00 0.00 176.35 174.30 3rpb s LYS 585 N 2.48 3.34 -0.48 1.98 1.02 -1.12 -3.44 119.74 123.52 3rpb s LYS 585 Ca 0.18 -0.56 -0.29 0.00 0.02 0.00 0.00 55.97 55.32 3rpb s LYS 585 Cb -0.15 -2.72 0.02 0.00 -0.52 0.00 0.00 37.83 34.45 3rpb s LYS 585 CO 0.16 0.13 1.29 -2.14 -0.92 0.00 0.00 175.35 173.87 3rpb s PRO 586 N -4.26 3.57 -0.06 -1.68 0.02 -1.26 -2.19 135.00 129.14 3rpb s PRO 586 Ca 0.41 0.65 -0.05 0.00 0.02 0.00 0.00 61.00 62.03 3rpb s PRO 586 Cb -0.09 -4.00 -0.02 0.00 0.02 0.00 0.00 34.50 30.40 3rpb s PRO 586 CO 0.34 -1.58 0.25 -0.40 -0.33 0.00 0.00 177.00 175.28 3rpb n ASP 587 N 8.57 0.08 0.08 2.53 5.75 -1.22 -4.79 116.55 127.56 3rpb n ASP 587 Ca 0.13 0.07 0.11 0.00 -0.01 0.00 0.00 54.79 55.10 3rpb n ASP 587 Cb 0.49 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 3rpb n ASP 587 CO 0.00 0.00 0.00 1.15 -0.11 0.00 0.00 177.20 178.24 3rpb n MET 588 N 0.87 0.55 0.00 0.11 0.00 -1.26 -4.98 117.12 112.41 3rpb n MET 588 Ca 0.06 0.08 0.00 0.00 0.00 0.00 0.00 57.70 57.84 3rpb n MET 588 Cb -0.00 -1.76 0.00 0.00 0.00 0.00 0.00 33.22 31.45 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 1.22 5.50 0.00 3.17 0.00 -1.26 -5.06 105.19 108.76 3rpb n GLY 589 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 1.53 -0.22 1.61 3.00 -1.26 -4.63 118.16 118.19 3rpb n LYS 590 Ca 0.00 -0.25 0.08 0.00 -0.00 0.00 0.00 58.31 58.14 3rpb n LYS 590 Cb 0.00 -0.71 0.20 0.00 0.00 0.00 0.00 35.03 34.52 3rpb n LYS 590 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3rpb n LYS 591 N -0.29 2.60 0.31 1.64 5.02 -1.26 -4.48 118.16 121.70 3rpb n LYS 591 Ca 0.00 -2.18 0.18 0.00 -2.02 0.00 0.00 58.31 54.30 3rpb n LYS 591 Cb 0.03 -1.37 0.99 0.00 -0.02 0.00 0.00 35.03 34.66 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 2.94 1.19 -2.26 7.82 0.00 -1.92 -3.43 119.26 123.61 3rpb h ALA 592 Ca 0.00 -0.02 -0.48 0.00 0.00 0.00 0.00 54.91 54.41 3rpb h ALA 592 Cb 0.81 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.61 3rpb h ALA 592 CO 0.00 0.03 -0.12 0.15 0.00 0.00 0.00 179.25 179.31 3rpb s LYS 593 N -4.23 3.50 0.30 0.00 1.02 -1.25 -2.87 119.74 116.22 3rpb s LYS 593 Ca -0.04 -0.20 -0.13 0.00 0.02 0.00 0.00 55.97 55.62 3rpb s LYS 593 Cb 0.13 -2.60 0.01 0.00 -0.52 0.00 0.00 37.83 34.86 3rpb s LYS 593 CO 0.49 0.07 0.59 -1.01 -0.92 0.00 0.00 175.35 174.57 3rpb s HIS 594 N -2.40 0.37 -0.29 3.18 3.76 0.16 -4.89 115.29 115.17 3rpb s HIS 594 Ca 0.42 -0.79 0.00 0.00 -0.15 0.00 0.00 55.06 54.54 3rpb s HIS 594 Cb -0.10 0.36 0.19 0.00 1.11 0.00 0.00 32.58 34.14 3rpb s HIS 594 CO 0.38 -1.19 0.57 0.15 -0.85 0.00 0.00 174.74 173.80 3rpb s LYS 595 N -3.42 0.54 0.86 1.40 3.01 -1.24 -2.33 119.74 118.56 3rpb s LYS 595 Ca 0.21 0.87 -0.10 0.00 -1.01 0.00 0.00 55.97 55.93 3rpb s LYS 595 Cb -0.02 0.39 0.11 0.00 -1.01 0.00 0.00 37.83 37.30 3rpb s LYS 595 CO 0.12 -0.70 1.13 0.95 0.51 0.00 0.00 175.35 177.36 3rpb s THR 596 N 2.82 2.47 0.33 2.17 -4.23 0.50 -4.89 115.64 114.81 3rpb s THR 596 Ca 0.18 0.16 -0.24 0.00 -1.18 0.00 0.00 61.69 60.60 3rpb s THR 596 Cb -0.14 -2.34 -0.15 0.00 1.34 0.00 0.00 72.50 71.21 3rpb s THR 596 CO -0.22 -0.20 0.44 0.00 -0.54 0.00 0.00 174.62 174.10 3rpb n GLN 597 N -3.96 0.29 -2.50 3.99 6.02 -1.26 -4.22 117.38 115.74 3rpb n GLN 597 Ca 0.11 0.10 -0.43 0.00 -0.01 0.00 0.00 57.00 56.78 3rpb n GLN 597 Cb 0.52 -1.22 -0.02 0.00 1.02 0.00 0.00 30.24 30.54 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 -1.35 4.39 -1.21 5.09 -1.09 -1.26 -4.62 121.20 121.15 3rpb s ILE 598 Ca 0.62 1.69 -0.12 0.00 -2.23 0.00 0.00 60.65 60.61 3rpb s ILE 598 Cb -0.72 -4.09 0.19 0.00 -1.58 0.00 0.00 42.46 36.26 3rpb s ILE 598 CO 0.59 -0.13 1.50 0.29 -1.23 0.00 0.00 174.94 175.97 3rpb n LYS 599 N 6.30 3.50 -1.59 2.79 4.76 0.19 -4.99 118.16 129.13 3rpb n LYS 599 Ca 0.13 -3.88 -0.36 0.00 -2.87 0.00 0.00 58.31 51.32 3rpb n LYS 599 Cb 0.45 -2.93 0.08 0.00 -1.84 0.00 0.00 35.03 30.79 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 4.68 0.89 -3.31 1.97 4.76 -1.26 -2.89 118.16 123.01 3rpb n LYS 600 Ca 0.36 0.36 -0.15 0.00 -2.87 0.00 0.00 58.31 56.00 3rpb n LYS 600 Cb 0.40 -2.47 0.00 0.00 -1.84 0.00 0.00 35.03 31.13 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 -2.08 -0.91 -3.64 1.97 4.01 -0.46 -4.86 118.16 112.18 3rpb n LYS 601 Ca 0.15 0.42 -0.03 0.00 -0.51 0.00 0.00 58.31 58.34 3rpb n LYS 601 Cb 0.48 -1.31 -0.06 0.00 -0.51 0.00 0.00 35.03 33.63 3rpb n LYS 601 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 3rpb s THR 602 N -2.65 0.00 -0.01 -0.18 -1.32 0.10 -4.87 115.64 106.71 3rpb s THR 602 Ca 0.01 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 3rpb s THR 602 Cb -0.01 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.98 3rpb s THR 602 CO 0.54 0.00 0.01 0.18 -2.21 0.00 0.00 174.62 173.14 3rpb n LEU 603 N 1.10 0.01 -2.47 9.08 4.77 -1.26 -4.11 117.00 124.13 3rpb n LEU 603 Ca -0.06 -0.38 -0.17 0.00 -0.03 0.00 0.00 56.01 55.37 3rpb n LEU 603 Cb 0.58 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.69 3rpb n LEU 603 CO 0.05 0.00 0.08 0.59 -1.33 0.00 0.00 177.39 176.78 3rpb n ASN 604 N -1.13 3.45 -3.57 -1.43 3.02 -1.26 -2.11 115.26 112.22 3rpb n ASN 604 Ca 0.00 -3.19 -0.27 0.00 -0.03 0.00 0.00 54.58 51.10 3rpb n ASN 604 Cb 0.01 -0.45 0.21 0.00 -0.61 0.00 0.00 39.78 38.94 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 -0.47 -2.12 -3.97 3.52 -0.04 -1.24 -4.84 135.00 125.83 3rpb n PRO 605 Ca 0.28 -1.71 -0.29 0.00 -0.04 0.00 0.00 63.50 61.74 3rpb n PRO 605 Cb 0.80 -1.37 -0.16 0.00 -0.04 0.00 0.00 33.50 32.73 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 -5.42 1.95 -0.11 0.54 2.12 -1.26 -2.96 118.70 113.56 3rpb s GLU 606 Ca 0.66 -0.54 -0.03 0.00 0.36 0.00 0.00 54.97 55.41 3rpb s GLU 606 Cb -0.04 -2.04 -0.01 0.00 0.26 0.00 0.00 34.13 32.29 3rpb s GLU 606 CO 0.48 -0.31 -0.06 0.74 -0.54 0.00 0.00 175.26 175.58 3rpb h PHE 607 N 8.07 0.00 -6.28 5.30 0.04 0.33 -3.48 116.94 120.93 3rpb h PHE 607 Ca -0.32 0.00 -0.46 0.00 2.80 0.00 0.00 57.97 59.99 3rpb h PHE 607 Cb 1.12 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.26 3rpb h PHE 607 CO 0.48 0.01 -0.81 -1.71 -0.60 0.00 0.00 178.31 175.68 3rpb n ASN 608 N -4.72 -2.78 -4.52 2.17 2.85 0.54 -4.90 115.26 103.90 3rpb n ASN 608 Ca -0.03 -0.84 -0.34 0.00 -0.11 0.00 0.00 54.58 53.26 3rpb n ASN 608 Cb 0.10 -3.77 -0.12 0.00 1.24 0.00 0.00 39.78 37.23 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 -6.39 3.74 -0.33 1.20 0.41 0.17 -4.92 118.70 112.58 3rpb s GLU 609 Ca 0.34 -0.47 -0.10 0.00 -0.41 0.00 0.00 54.97 54.34 3rpb s GLU 609 Cb -0.17 -3.08 0.01 0.00 -1.78 0.00 0.00 34.13 29.11 3rpb s GLU 609 CO 0.84 0.16 0.16 -1.21 -0.49 0.00 0.00 175.26 174.71 3rpb s GLU 610 N 0.63 3.14 0.56 1.61 2.02 -1.26 0.18 118.70 125.58 3rpb s GLU 610 Ca 0.00 -0.85 0.04 0.00 0.02 0.00 0.00 54.97 54.18 3rpb s GLU 610 Cb -0.14 -3.59 0.06 0.00 0.10 0.00 0.00 34.13 30.56 3rpb s GLU 610 CO 0.02 -0.51 0.78 -0.06 0.02 0.00 0.00 175.26 175.51 3rpb s PHE 611 N 1.58 2.34 -0.09 1.61 0.40 0.71 -4.93 117.98 119.59 3rpb s PHE 611 Ca 0.03 -0.27 -0.04 0.00 -0.60 0.00 0.00 56.93 56.05 3rpb s PHE 611 Cb -0.18 -2.63 0.05 0.00 0.51 0.00 0.00 43.02 40.77 3rpb s PHE 611 CO 0.06 -0.99 0.18 0.12 0.70 0.00 0.00 175.22 175.28 3rpb s PHE 612 N -2.73 -0.22 0.13 0.36 5.36 -1.26 -2.68 117.98 116.93 3rpb s PHE 612 Ca 0.59 0.66 0.03 0.00 -0.96 0.00 0.00 56.93 57.25 3rpb s PHE 612 Cb -0.08 -0.20 -0.04 0.00 -0.34 0.00 0.00 43.02 42.36 3rpb s PHE 612 CO 0.39 -0.27 0.19 0.71 -1.46 0.00 0.00 175.22 174.77 3rpb s TYR 613 N 2.19 3.34 -0.81 10.12 1.51 0.42 -4.94 117.35 129.19 3rpb s TYR 613 Ca 0.01 0.09 0.02 0.00 -1.01 0.00 0.00 57.07 56.19 3rpb s TYR 613 Cb -0.12 -1.63 0.33 0.00 -0.11 0.00 0.00 41.96 40.43 3rpb s TYR 613 CO -0.06 0.53 1.37 -0.25 -1.11 0.00 0.00 175.55 176.03 3rpb n ASP 614 N -0.18 5.89 -4.20 2.29 9.92 -1.26 -1.65 116.55 127.36 3rpb n ASP 614 Ca -0.07 -3.67 -0.27 0.00 -0.53 0.00 0.00 54.79 50.24 3rpb n ASP 614 Cb 0.53 -0.87 -0.16 0.00 -0.64 0.00 0.00 41.12 39.98 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 -4.29 1.63 0.18 0.53 1.10 -1.26 -5.00 121.20 114.09 3rpb s ILE 615 Ca 0.43 -0.85 -0.31 0.00 -0.51 0.00 0.00 60.65 59.42 3rpb s ILE 615 Cb 0.23 -1.37 -0.09 0.00 0.15 0.00 0.00 42.46 41.37 3rpb s ILE 615 CO -0.12 0.46 1.40 -0.54 -2.11 0.00 0.00 174.94 174.03 3rpb s LYS 616 N -0.23 4.32 0.27 3.50 1.02 -1.26 -4.16 119.74 123.19 3rpb s LYS 616 Ca 0.02 2.16 -0.02 0.00 0.02 0.00 0.00 55.97 58.15 3rpb s LYS 616 Cb -0.10 -3.18 0.60 0.00 -0.52 0.00 0.00 37.83 34.62 3rpb s LYS 616 CO 0.01 -0.40 1.63 1.25 -0.92 0.00 0.00 175.35 176.93 3rpb h HIS 617 N 5.90 0.14 0.00 3.18 -0.00 -1.94 1.40 115.15 123.83 3rpb h HIS 617 Ca -0.44 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 59.98 3rpb h HIS 617 Cb 1.21 0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.69 3rpb h HIS 617 CO 0.63 -0.24 0.03 0.66 -0.00 0.00 0.00 177.93 179.01 3rpb h SER 618 N 0.15 0.00 0.00 3.26 4.64 -2.00 -1.26 113.55 118.34 3rpb h SER 618 Ca 0.50 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.57 3rpb h SER 618 Cb 0.96 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.00 3rpb h SER 618 CO -0.69 0.00 -1.99 0.47 -0.87 0.00 0.00 176.83 173.75 3rpb n ASP 619 N -2.36 1.33 -0.12 4.97 8.00 0.45 -4.66 116.55 124.15 3rpb n ASP 619 Ca -0.02 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.45 3rpb n ASP 619 Cb 0.07 0.96 -0.03 0.00 -0.02 0.00 0.00 41.12 42.09 3rpb n ASP 619 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3rpb n LEU 620 N -2.50 -0.31 -0.32 0.64 4.77 0.68 0.13 117.00 120.09 3rpb n LEU 620 Ca -0.22 0.98 0.24 0.00 -0.03 0.00 0.00 56.01 56.98 3rpb n LEU 620 Cb 0.93 -0.30 0.46 0.00 -2.33 0.00 0.00 43.42 42.18 3rpb n LEU 620 CO 0.32 -0.65 1.03 0.00 -1.33 0.00 0.00 177.39 176.75 3rpb h ALA 621 N -0.33 1.82 0.00 -1.18 0.00 -1.83 2.28 119.26 120.02 3rpb h ALA 621 Ca 0.05 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3rpb h ALA 621 Cb 0.12 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3rpb h ALA 621 CO -0.27 -0.69 0.00 1.63 0.00 0.00 0.00 179.25 179.92 3rpb n LYS 622 N -5.21 0.17 -1.46 0.00 4.01 0.34 -3.48 118.16 112.53 3rpb n LYS 622 Ca 0.31 0.39 -0.20 0.00 -0.51 0.00 0.00 58.31 58.30 3rpb n LYS 622 Cb 1.01 -1.82 0.14 0.00 -0.51 0.00 0.00 35.03 33.85 3rpb n LYS 622 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3rpb n LYS 623 N -2.15 -0.77 -3.22 1.97 4.76 0.77 -4.72 118.16 114.80 3rpb n LYS 623 Ca 0.02 -1.55 -0.01 0.00 -2.87 0.00 0.00 58.31 53.91 3rpb n LYS 623 Cb 0.24 -0.90 -0.03 0.00 -1.84 0.00 0.00 35.03 32.49 3rpb n LYS 623 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3rpb s SER 624 N -4.40 -0.80 -0.26 4.39 0.01 -0.93 -3.86 113.70 107.86 3rpb s SER 624 Ca 0.53 0.30 -0.29 0.00 1.31 0.00 0.00 55.95 57.80 3rpb s SER 624 Cb -0.02 1.72 0.01 0.00 0.21 0.00 0.00 66.02 67.94 3rpb s SER 624 CO 0.37 -0.30 1.10 -0.22 0.41 0.00 0.00 173.24 174.60 3rpb s LEU 625 N 2.73 4.04 -0.49 2.44 2.96 0.44 -2.77 118.68 128.02 3rpb s LEU 625 Ca 0.14 1.29 -0.09 0.00 -0.22 0.00 0.00 54.13 55.25 3rpb s LEU 625 Cb -0.13 -3.54 0.13 0.00 0.50 0.00 0.00 46.19 43.14 3rpb s LEU 625 CO -0.23 -0.78 0.37 -0.62 -1.32 0.00 0.00 176.35 173.76 3rpb s ASP 626 N 1.55 5.74 -0.50 3.68 -1.08 -0.96 0.27 116.67 125.37 3rpb s ASP 626 Ca 0.47 -1.98 -0.20 0.00 -0.52 0.00 0.00 52.55 50.32 3rpb s ASP 626 Cb -0.15 -2.02 0.05 0.00 -1.46 0.00 0.00 42.92 39.34 3rpb s ASP 626 CO 0.11 -0.68 0.65 -0.63 0.52 0.00 0.00 175.17 175.14 3rpb s ILE 627 N 1.27 4.83 -0.10 4.11 1.09 -0.11 -2.74 121.20 129.56 3rpb s ILE 627 Ca 0.07 -0.34 0.03 0.00 -1.10 0.00 0.00 60.65 59.31 3rpb s ILE 627 Cb -0.26 -4.30 -0.01 0.00 -1.06 0.00 0.00 42.46 36.84 3rpb s ILE 627 CO -0.01 -0.79 -0.20 -0.94 -0.10 0.00 0.00 174.94 172.90 3rpb s SER 628 N 2.57 3.44 -0.21 3.58 1.04 0.32 -0.30 113.70 124.15 3rpb s SER 628 Ca 0.17 -0.45 -0.09 0.00 0.48 0.00 0.00 55.95 56.06 3rpb s SER 628 Cb -0.18 -1.32 -0.05 0.00 0.10 0.00 0.00 66.02 64.57 3rpb s SER 628 CO 0.14 0.19 0.12 -0.69 0.98 0.00 0.00 173.24 173.97 3rpb s VAL 629 N 0.17 5.17 0.01 5.02 1.01 0.22 0.41 120.40 132.40 3rpb s VAL 629 Ca -0.11 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.05 3rpb s VAL 629 Cb -0.16 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 3rpb s VAL 629 CO 0.06 0.41 -0.23 0.26 0.00 0.00 0.00 175.10 175.61 3rpb s TRP 630 N 0.61 2.00 -0.53 5.22 0.52 0.42 -1.67 118.94 125.51 3rpb s TRP 630 Ca 0.06 -0.38 -0.25 0.00 0.02 0.00 0.00 56.10 55.55 3rpb s TRP 630 Cb -0.12 -1.25 0.04 0.00 -1.15 0.00 0.00 33.47 30.98 3rpb s TRP 630 CO 0.01 0.02 0.97 0.34 0.02 0.00 0.00 176.95 178.31 3rpb s ASP 631 N -0.81 6.39 1.04 2.95 2.15 0.71 -0.29 116.67 128.81 3rpb s ASP 631 Ca 0.09 -0.19 -0.12 0.00 0.43 0.00 0.00 52.55 52.75 3rpb s ASP 631 Cb -0.09 -2.45 0.18 0.00 -0.30 0.00 0.00 42.92 40.25 3rpb s ASP 631 CO 0.00 -1.22 0.86 0.00 -0.17 0.00 0.00 175.17 174.64 3rpb n TYR 632 N 7.51 -0.49 -3.64 -5.34 4.19 0.74 0.12 117.16 120.24 3rpb n TYR 632 Ca 0.04 0.15 -0.05 0.00 3.31 0.00 0.00 57.90 61.35 3rpb n TYR 632 Cb 0.48 -1.81 -0.06 0.00 0.49 0.00 0.00 39.34 38.44 3rpb n TYR 632 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 3rpb s ASP 633 N -2.37 -1.00 0.04 2.98 -1.08 -1.26 -4.10 116.67 109.88 3rpb s ASP 633 Ca 0.65 1.52 -0.22 0.00 -0.52 0.00 0.00 52.55 53.98 3rpb s ASP 633 Cb -0.22 1.68 -0.06 0.00 -1.46 0.00 0.00 42.92 42.86 3rpb s ASP 633 CO 0.63 -0.23 0.65 0.27 0.52 0.00 0.00 175.17 177.01 3rpb s ILE 634 N 2.04 4.78 0.00 4.11 -0.00 -1.26 -3.82 121.20 127.05 3rpb s ILE 634 Ca -0.09 1.37 0.00 0.00 -0.00 0.00 0.00 60.65 61.94 3rpb s ILE 634 Cb -0.07 -3.99 0.00 0.00 -0.00 0.00 0.00 42.46 38.40 3rpb s ILE 634 CO -0.20 0.44 0.00 0.61 -0.00 0.00 0.00 174.94 175.80 3rpb n GLY 635 N 2.21 3.16 0.32 6.27 0.00 -1.26 -4.96 105.19 110.93 3rpb n GLY 635 Ca -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 3rpb n GLY 635 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3rpb n LYS 636 N -1.63 0.25 -2.82 1.61 2.85 -1.25 -5.15 118.16 112.03 3rpb n LYS 636 Ca 0.00 -0.33 -0.34 0.00 -1.05 0.00 0.00 58.31 56.59 3rpb n LYS 636 Cb 0.00 0.25 -0.07 0.00 -0.65 0.00 0.00 35.03 34.56 3rpb n LYS 636 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3rpb s SER 637 N -1.24 7.01 0.85 -5.58 1.04 -1.26 -4.68 113.70 109.85 3rpb s SER 637 Ca 0.03 1.71 -0.01 0.00 0.48 0.00 0.00 55.95 58.17 3rpb s SER 637 Cb 0.00 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.59 3rpb s SER 637 CO 0.02 -0.31 0.04 -0.46 0.98 0.00 0.00 173.24 173.52 3rpb n ASN 638 N -0.42 -1.77 -3.96 7.02 0.23 -1.26 -4.57 115.26 110.54 3rpb n ASN 638 Ca 0.06 -0.04 -0.09 0.00 -0.53 0.00 0.00 54.58 53.97 3rpb n ASN 638 Cb 0.53 -0.05 -0.11 0.00 -2.08 0.00 0.00 39.78 38.07 3rpb n ASN 638 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 3rpb s ASP 639 N -1.87 0.20 -0.32 0.53 1.01 0.32 -4.88 116.67 111.66 3rpb s ASP 639 Ca 0.03 -0.46 -0.18 0.00 0.71 0.00 0.00 52.55 52.66 3rpb s ASP 639 Cb -0.01 0.14 -0.01 0.00 1.01 0.00 0.00 42.92 44.05 3rpb s ASP 639 CO 0.03 -0.35 0.49 -0.47 0.21 0.00 0.00 175.17 175.08 3rpb s TYR 640 N -1.68 3.21 -0.21 4.23 6.14 -1.26 0.25 117.35 128.03 3rpb s TYR 640 Ca -0.13 0.33 -0.07 0.00 0.64 0.00 0.00 57.07 57.83 3rpb s TYR 640 Cb -0.08 -2.82 -0.19 0.00 0.42 0.00 0.00 41.96 39.29 3rpb s TYR 640 CO -0.01 -0.43 -0.01 -0.89 0.64 0.00 0.00 175.55 174.85 3rpb n ILE 641 N 5.31 1.59 0.00 3.14 5.41 -0.73 -4.82 119.36 129.27 3rpb n ILE 641 Ca -0.05 -0.48 0.00 0.00 1.00 0.00 0.00 62.75 63.22 3rpb n ILE 641 Cb 0.49 -1.69 0.00 0.00 -0.71 0.00 0.00 39.64 37.73 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 1.87 3.32 0.00 7.39 0.00 -0.67 -4.83 105.19 112.27 3rpb n GLY 642 Ca -0.41 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.27 2.30 3.46 -0.02 0.00 0.18 0.69 105.19 110.52 3rpb n GLY 643 Ca 0.00 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.75 3.29 -0.44 0.00 -2.07 -1.26 -0.93 119.66 115.49 3rpb s GLN 645 Ca -0.04 -0.28 0.02 0.00 -1.82 0.00 0.00 55.36 53.25 3rpb s GLN 645 Cb -0.01 -3.04 0.13 0.00 -1.09 0.00 0.00 33.01 29.01 3rpb s GLN 645 CO -0.04 0.72 0.24 -0.51 -1.32 0.00 0.00 175.29 174.38 3rpb s LEU 646 N -1.28 2.71 0.01 2.60 1.43 0.75 -4.80 118.68 120.10 3rpb s LEU 646 Ca 0.18 -2.62 0.03 0.00 -1.03 0.00 0.00 54.13 50.68 3rpb s LEU 646 Cb -0.12 -1.04 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 3rpb s LEU 646 CO 0.08 -0.27 -0.08 -0.83 0.23 0.00 0.00 176.35 175.48 3rpb s GLY 647 N 0.35 0.44 0.15 -3.19 0.00 -1.26 0.17 107.32 103.99 3rpb s GLY 647 Ca 0.18 -0.49 0.10 0.00 0.00 0.00 0.00 44.72 44.51 3rpb s GLY 647 CO 0.00 -0.47 1.32 4.51 0.00 0.00 0.00 173.10 178.46 3rpb n ILE 648 N 2.41 1.54 0.90 0.90 3.06 -1.23 -0.37 119.36 126.57 3rpb n ILE 648 Ca -0.16 0.61 0.04 0.00 -2.50 0.00 0.00 62.75 60.73 3rpb n ILE 648 Cb 0.56 -1.61 0.13 0.00 0.54 0.00 0.00 39.64 39.26 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 -1.86 1.81 -4.90 9.51 2.88 -1.26 -4.87 113.62 114.93 3rpb n SER 649 Ca -0.01 -2.10 -0.21 0.00 -1.33 0.00 0.00 58.87 55.22 3rpb n SER 649 Cb 0.02 -0.30 0.07 0.00 -0.75 0.00 0.00 64.21 63.25 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 -1.64 4.20 -0.02 -1.46 0.00 0.50 -5.11 121.76 118.23 3rpb s ALA 650 Ca 0.18 -1.79 -0.01 0.00 0.00 0.00 0.00 51.96 50.34 3rpb s ALA 650 Cb 0.11 -1.78 0.02 0.00 0.00 0.00 0.00 23.12 21.47 3rpb s ALA 650 CO 0.10 -0.97 0.04 -1.59 0.00 0.00 0.00 175.76 173.35 3rpb s LYS 651 N -4.80 0.01 0.00 0.00 0.00 -1.26 -4.63 119.74 109.05 3rpb s LYS 651 Ca 0.62 0.15 0.00 0.00 0.00 0.00 0.00 55.97 56.74 3rpb s LYS 651 Cb -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 37.83 37.63 3rpb s LYS 651 CO 0.40 -0.10 0.00 0.41 0.00 0.00 0.00 175.35 176.06 3rpb n GLY 652 N 3.72 1.83 0.77 0.59 0.00 -1.26 -4.67 105.19 106.18 3rpb n GLY 652 Ca -0.21 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.30 1.61 1.02 -1.26 -4.55 120.64 117.16 3rpb n GLU 653 Ca 0.00 0.00 0.34 0.00 -0.02 0.00 0.00 57.16 57.48 3rpb n GLU 653 Cb 0.00 -0.57 0.63 0.00 -0.02 0.00 0.00 31.44 31.48 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 0.00 0.04 3.49 3.08 -1.87 0.52 114.38 119.64 3rpb h ARG 654 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 3rpb h ARG 654 Cb 0.75 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 3rpb h ARG 654 CO 0.00 0.00 -0.67 1.25 -1.07 0.00 0.00 179.97 179.48 3rpb h LEU 655 N 0.00 0.15 0.09 3.04 5.85 -1.82 -3.12 115.31 119.49 3rpb h LEU 655 Ca 0.57 -0.86 0.01 0.00 0.84 0.00 0.00 57.88 58.44 3rpb h LEU 655 Cb 2.76 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 43.71 3rpb h LEU 655 CO -0.01 1.29 -0.33 0.11 -0.34 0.00 0.00 178.44 179.16 3rpb h LYS 656 N -0.77 -0.46 -0.06 1.25 1.57 -0.22 0.92 116.57 118.80 3rpb h LYS 656 Ca -0.16 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.69 3rpb h LYS 656 Cb 1.31 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.68 3rpb h LYS 656 CO -0.01 -0.31 -0.21 1.25 -0.57 0.00 0.00 179.45 179.60 3rpb h HIS 657 N -0.48 -0.55 0.00 -1.35 2.76 -1.61 0.13 115.15 114.05 3rpb h HIS 657 Ca -0.01 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3rpb h HIS 657 Cb 0.47 0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.69 3rpb h HIS 657 CO -0.38 -0.29 0.00 1.87 -1.30 0.00 0.00 177.93 177.83 3rpb n TRP 658 N -5.34 0.00 -0.28 5.26 -0.00 -1.11 -2.58 117.44 113.39 3rpb n TRP 658 Ca -0.04 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.35 3rpb n TRP 658 Cb 0.25 -0.11 -0.09 0.00 -0.00 0.00 0.00 31.31 31.36 3rpb n TRP 658 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 177.69 176.77 3rpb h TYR 659 N 0.00 -1.70 -1.36 5.87 5.03 0.79 0.52 116.97 126.12 3rpb h TYR 659 Ca 0.00 0.10 0.43 0.00 2.58 0.00 0.00 58.73 61.84 3rpb h TYR 659 Cb 0.00 0.83 -0.11 0.00 1.55 0.00 0.00 36.73 39.00 3rpb h TYR 659 CO 0.05 -0.39 0.90 1.05 -1.32 0.00 0.00 178.16 178.45 3rpb h GLU 660 N -0.15 0.09 -0.87 1.82 4.11 -0.78 2.27 114.58 121.07 3rpb h GLU 660 Ca 0.12 -0.01 0.07 0.00 0.07 0.00 0.00 59.36 59.61 3rpb h GLU 660 Cb 0.45 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 3rpb h GLU 660 CO -0.75 0.06 0.53 0.00 0.07 0.00 0.00 179.01 178.93 3rpb h LEU 662 N 0.95 0.00 0.12 0.00 4.07 0.39 -1.25 115.31 119.60 3rpb h LEU 662 Ca 0.39 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 58.01 3rpb h LEU 662 Cb 0.22 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 3rpb h LEU 662 CO -0.19 0.02 -1.75 0.07 -1.08 0.00 0.00 178.44 175.51 3rpb h LYS 663 N 0.00 0.26 -2.23 1.13 2.10 -0.12 -3.38 116.57 114.33 3rpb h LYS 663 Ca -0.00 -0.45 -0.74 0.00 -2.00 0.00 0.00 60.65 57.46 3rpb h LYS 663 Cb 0.05 0.17 -0.32 0.00 -0.90 0.00 0.00 32.23 31.22 3rpb h LYS 663 CO 0.00 1.12 0.51 0.09 -2.00 0.00 0.00 179.45 179.17 3rpb n ASN 664 N -3.45 6.48 0.00 7.07 4.13 0.17 -4.91 115.26 124.75 3rpb n ASN 664 Ca -0.23 -3.70 0.00 0.00 1.68 0.00 0.00 54.58 52.33 3rpb n ASN 664 Cb 1.05 -0.97 0.00 0.00 -1.54 0.00 0.00 39.78 38.32 3rpb n ASN 664 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 3rpb n LYS 665 N -0.15 0.00 0.25 3.52 4.01 -0.70 -1.93 118.16 123.17 3rpb n LYS 665 Ca 0.42 0.15 0.13 0.00 -0.51 0.00 0.00 58.31 58.51 3rpb n LYS 665 Cb 0.31 -0.80 0.58 0.00 -0.51 0.00 0.00 35.03 34.60 3rpb n LYS 665 CO 0.00 0.00 0.00 0.38 -1.11 0.00 0.00 177.40 176.67 3rpb h ASP 666 N 0.00 0.00 -3.37 4.39 3.04 -1.77 -2.58 116.42 116.13 3rpb h ASP 666 Ca 0.00 0.00 -0.56 0.00 -3.24 0.00 0.00 57.03 53.23 3rpb h ASP 666 Cb 0.00 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.24 3rpb h ASP 666 CO 0.00 0.00 0.10 -0.54 -2.04 0.00 0.00 179.24 176.76 3rpb s LYS 667 N -4.18 4.44 0.51 4.15 1.02 -0.81 -4.96 119.74 119.91 3rpb s LYS 667 Ca -0.03 0.91 -0.17 0.00 0.02 0.00 0.00 55.97 56.71 3rpb s LYS 667 Cb 0.08 -3.44 -0.08 0.00 -0.52 0.00 0.00 37.83 33.86 3rpb s LYS 667 CO 0.26 0.07 0.98 0.15 -0.92 0.00 0.00 175.35 175.90 3rpb s LYS 668 N 0.77 3.97 0.20 1.68 1.02 -1.26 -4.56 119.74 121.55 3rpb s LYS 668 Ca 0.38 0.97 0.08 0.00 0.02 0.00 0.00 55.97 57.42 3rpb s LYS 668 Cb -0.18 -2.14 -0.05 0.00 -0.52 0.00 0.00 37.83 34.95 3rpb s LYS 668 CO 0.19 -0.25 -0.15 0.42 -0.92 0.00 0.00 175.35 174.64 3rpb s ILE 669 N -2.58 1.70 -0.27 2.17 1.01 0.54 -4.95 121.20 118.82 3rpb s ILE 669 Ca 0.59 -2.16 -0.13 0.00 0.00 0.00 0.00 60.65 58.96 3rpb s ILE 669 Cb -0.10 -2.00 0.10 0.00 0.01 0.00 0.00 42.46 40.47 3rpb s ILE 669 CO 0.29 -0.57 0.63 -1.61 0.00 0.00 0.00 174.94 173.69 3rpb s GLU 670 N -3.54 0.61 0.17 2.79 2.02 -1.26 -1.58 118.70 117.91 3rpb s GLU 670 Ca 0.21 1.27 -0.16 0.00 0.02 0.00 0.00 54.97 56.32 3rpb s GLU 670 Cb -0.01 0.42 0.02 0.00 0.10 0.00 0.00 34.13 34.66 3rpb s GLU 670 CO 0.06 -0.18 0.45 1.03 0.02 0.00 0.00 175.26 176.65 3rpb s ARG 671 N 2.17 1.27 -0.17 1.61 1.81 -0.40 -5.00 118.95 120.24 3rpb s ARG 671 Ca -0.08 -0.89 -0.07 0.00 -1.72 0.00 0.00 55.73 52.97 3rpb s ARG 671 Cb -0.08 0.48 -0.04 0.00 -0.45 0.00 0.00 34.95 34.86 3rpb s ARG 671 CO -0.19 -0.52 0.08 -1.58 -0.68 0.00 0.00 175.30 172.42 3rpb s TRP 672 N -3.88 3.33 -0.12 -0.53 0.52 -1.26 -0.59 118.94 116.42 3rpb s TRP 672 Ca 0.09 0.21 0.00 0.00 0.02 0.00 0.00 56.10 56.42 3rpb s TRP 672 Cb 0.00 -2.05 -0.02 0.00 -1.15 0.00 0.00 33.47 30.26 3rpb s TRP 672 CO -0.04 0.30 -0.13 -1.01 0.02 0.00 0.00 176.95 176.09 3rpb s HIS 673 N 0.04 2.81 -0.64 -1.98 3.76 -0.77 -4.96 115.29 113.56 3rpb s HIS 673 Ca 0.07 -0.57 -0.28 0.00 -0.15 0.00 0.00 55.06 54.13 3rpb s HIS 673 Cb -0.12 -1.82 0.03 0.00 1.11 0.00 0.00 32.58 31.78 3rpb s HIS 673 CO 0.00 -0.16 1.27 1.14 -0.85 0.00 0.00 174.74 176.15 3rpb s GLN 674 N 0.22 3.33 0.06 1.40 -2.07 -1.26 -1.68 119.66 119.66 3rpb s GLN 674 Ca -0.08 0.08 -0.38 0.00 -1.82 0.00 0.00 55.36 53.17 3rpb s GLN 674 Cb -0.15 -4.11 -0.18 0.00 -1.09 0.00 0.00 33.01 27.48 3rpb s GLN 674 CO 0.05 -1.93 1.18 1.28 -1.32 0.00 0.00 175.29 174.55 3rpb n LEU 675 N 9.08 0.83 -4.34 2.60 4.77 -0.86 -4.77 117.00 124.32 3rpb n LEU 675 Ca 0.07 1.14 -0.18 0.00 -0.03 0.00 0.00 56.01 57.01 3rpb n LEU 675 Cb 0.49 -1.07 -0.10 0.00 -2.33 0.00 0.00 43.42 40.41 3rpb n LEU 675 CO 0.71 -1.50 -0.42 -1.10 -1.33 0.00 0.00 177.39 173.75 3rpb s GLN 676 N 0.16 1.31 -0.02 3.23 -0.21 0.70 -4.58 119.66 120.25 3rpb s GLN 676 Ca 0.86 -1.59 -0.20 0.00 0.02 0.00 0.00 55.36 54.45 3rpb s GLN 676 Cb -1.08 -1.02 -0.05 0.00 1.00 0.00 0.00 33.01 31.86 3rpb s GLN 676 CO 0.52 0.14 0.57 1.21 -2.12 0.00 0.00 175.29 175.61 3rpb s ASN 677 N -3.30 6.92 -0.04 5.90 3.84 -1.26 0.50 114.94 127.50 3rpb s ASN 677 Ca 0.22 1.10 -0.21 0.00 0.21 0.00 0.00 52.86 54.19 3rpb s ASN 677 Cb 0.00 -2.35 -0.14 0.00 -0.55 0.00 0.00 41.25 38.21 3rpb s ASN 677 CO 0.06 0.09 0.89 -0.08 -2.79 0.00 0.00 177.10 175.27 3rpb h GLU 678 N 5.78 -0.32 0.00 0.43 4.57 -1.99 -3.48 114.58 119.57 3rpb h GLU 678 Ca -0.45 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 3rpb h GLU 678 Cb 1.20 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 3rpb h GLU 678 CO 0.70 0.03 0.00 0.09 -1.18 0.00 0.00 179.01 178.65 3rpb n ASN 679 N -5.02 0.00 0.00 1.04 3.02 -1.26 -5.22 115.26 107.83 3rpb n ASN 679 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 3rpb n ASN 679 Cb 0.25 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 3rpb n ASN 679 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21