#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 1.64 3.03 2.89 0.00 0.36 -2.83 105.19 110.28 3rpb n GLY 542 Ca 0.00 -2.14 -0.19 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.67 0.77 -0.13 1.61 1.02 0.95 -1.36 119.74 120.93 3rpb s LYS 543 Ca 0.00 -0.34 0.02 0.00 0.02 0.00 0.00 55.97 55.67 3rpb s LYS 543 Cb 0.00 -0.74 -0.00 0.00 -0.52 0.00 0.00 37.83 36.57 3rpb s LYS 543 CO 0.00 0.20 -0.19 -1.50 -0.92 0.00 0.00 175.35 172.94 3rpb s ILE 544 N -0.22 2.44 0.02 2.17 -1.16 -0.74 0.73 121.20 124.45 3rpb s ILE 544 Ca 0.04 -0.87 -0.30 0.00 -0.51 0.00 0.00 60.65 59.01 3rpb s ILE 544 Cb -0.04 -1.99 -0.04 0.00 0.61 0.00 0.00 42.46 41.01 3rpb s ILE 544 CO -0.00 0.54 0.96 -0.22 -2.81 0.00 0.00 174.94 173.41 3rpb s LEU 545 N 0.56 4.40 -0.03 8.50 2.96 0.42 -2.03 118.68 133.45 3rpb s LEU 545 Ca -0.11 1.67 0.03 0.00 -0.22 0.00 0.00 54.13 55.50 3rpb s LEU 545 Cb -0.16 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.97 3rpb s LEU 545 CO 0.04 -0.21 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.06 3rpb s VAL 546 N 0.76 0.97 -0.28 1.68 1.01 0.14 -1.93 120.40 122.74 3rpb s VAL 546 Ca 0.50 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 3rpb s VAL 546 Cb -0.21 -0.85 0.05 0.00 0.00 0.00 0.00 36.38 35.36 3rpb s VAL 546 CO 0.28 0.29 -0.03 -0.94 0.00 0.00 0.00 175.10 174.70 3rpb s SER 547 N 0.14 4.71 0.48 3.32 1.04 0.36 -1.13 113.70 122.62 3rpb s SER 547 Ca -0.03 -1.20 -0.01 0.00 0.48 0.00 0.00 55.95 55.19 3rpb s SER 547 Cb -0.09 -1.68 -0.00 0.00 0.10 0.00 0.00 66.02 64.34 3rpb s SER 547 CO 0.01 -0.22 0.72 -0.76 0.98 0.00 0.00 173.24 173.97 3rpb s LEU 548 N 1.25 3.56 0.00 2.42 1.43 0.25 0.10 118.68 127.70 3rpb s LEU 548 Ca -0.05 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 3rpb s LEU 548 Cb -0.19 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 42.75 3rpb s LEU 548 CO -0.02 -0.77 0.00 0.80 0.23 0.00 0.00 176.35 176.59 3rpb n MET 549 N -2.19 0.00 -5.08 1.70 1.56 -0.35 0.17 117.12 112.92 3rpb n MET 549 Ca 0.02 0.00 -0.32 0.00 -0.27 0.00 0.00 57.70 57.13 3rpb n MET 549 Cb 0.57 0.00 -0.16 0.00 2.15 0.00 0.00 33.22 35.78 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 -0.82 2.62 -0.98 1.12 5.04 -1.21 0.26 117.35 123.39 3rpb s TYR 550 Ca 0.00 -0.86 -0.08 0.00 -2.44 0.00 0.00 57.07 53.69 3rpb s TYR 550 Cb 0.00 -1.73 0.25 0.00 0.35 0.00 0.00 41.96 40.82 3rpb s TYR 550 CO 0.00 -0.31 0.93 0.45 -1.34 0.00 0.00 175.55 175.28 3rpb s SER 551 N 0.25 6.79 0.47 4.32 0.15 -0.06 -3.37 113.70 122.23 3rpb s SER 551 Ca -0.14 -3.43 0.25 0.00 0.70 0.00 0.00 55.95 53.33 3rpb s SER 551 Cb -0.17 -2.12 1.27 0.00 -1.71 0.00 0.00 66.02 63.30 3rpb s SER 551 CO 0.07 -0.32 1.84 0.71 1.20 0.00 0.00 173.24 176.74 3rpb h THR 552 N 4.05 0.56 -0.33 6.45 1.35 -1.94 0.84 112.91 123.88 3rpb h THR 552 Ca 0.15 -0.08 0.05 0.00 -0.55 0.00 0.00 66.41 65.98 3rpb h THR 552 Cb 0.89 0.31 -0.04 0.00 -1.73 0.00 0.00 68.15 67.59 3rpb h THR 552 CO 0.91 0.04 0.08 1.56 -0.25 0.00 0.00 175.52 177.87 3rpb h GLN 553 N 0.23 0.20 0.00 4.72 7.50 -1.93 -0.80 115.11 125.03 3rpb h GLN 553 Ca 0.50 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.64 3rpb h GLN 553 Cb 1.57 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 29.05 3rpb h GLN 553 CO -0.13 0.13 -0.28 1.96 -1.50 0.00 0.00 178.83 179.00 3rpb h GLN 554 N 0.21 0.00 -2.82 1.46 4.20 -0.79 -3.47 115.11 113.89 3rpb h GLN 554 Ca 0.16 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.72 3rpb h GLN 554 Cb 0.16 0.00 0.05 0.00 0.30 0.00 0.00 27.48 27.99 3rpb h GLN 554 CO -0.19 0.00 -0.25 0.41 -0.67 0.00 0.00 178.83 178.13 3rpb n GLY 555 N 1.27 0.39 3.57 3.46 0.00 0.25 -5.04 105.19 109.09 3rpb n GLY 555 Ca 0.04 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.13 0.11 0.36 -0.02 0.00 -1.11 -4.23 107.32 99.30 3rpb s GLY 556 Ca 0.21 -0.45 -0.01 0.00 0.00 0.00 0.00 44.72 44.47 3rpb s GLY 556 CO 0.27 -0.37 0.59 -2.27 0.00 0.00 0.00 173.10 171.32 3rpb s LEU 557 N -2.92 3.95 -0.10 0.66 2.96 -0.80 -0.88 118.68 121.54 3rpb s LEU 557 Ca 0.13 0.57 0.01 0.00 -0.22 0.00 0.00 54.13 54.63 3rpb s LEU 557 Cb -0.01 -3.45 0.02 0.00 0.50 0.00 0.00 46.19 43.25 3rpb s LEU 557 CO 0.02 -0.33 -0.11 -0.63 -1.32 0.00 0.00 176.35 173.97 3rpb s ILE 558 N -2.37 1.20 -0.22 6.68 -1.09 0.74 0.16 121.20 126.30 3rpb s ILE 558 Ca 0.42 -0.44 -0.03 0.00 -2.23 0.00 0.00 60.65 58.36 3rpb s ILE 558 Cb -0.10 -1.15 -0.00 0.00 -1.58 0.00 0.00 42.46 39.63 3rpb s ILE 558 CO 0.37 0.39 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.72 3rpb s VAL 559 N 1.26 3.23 -0.21 2.92 1.01 -1.10 -1.22 120.40 126.29 3rpb s VAL 559 Ca -0.03 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 3rpb s VAL 559 Cb -0.14 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 3rpb s VAL 559 CO -0.04 0.40 -0.01 -0.83 0.00 0.00 0.00 175.10 174.62 3rpb s GLY 560 N 1.45 1.67 -0.58 4.51 0.00 0.28 0.24 107.32 114.89 3rpb s GLY 560 Ca 0.05 -1.08 -0.13 0.00 0.00 0.00 0.00 44.72 43.56 3rpb s GLY 560 CO -0.04 0.34 0.50 -0.42 0.00 0.00 0.00 173.10 173.48 3rpb s ILE 561 N 1.26 4.92 0.00 0.90 -1.09 0.44 0.13 121.20 127.77 3rpb s ILE 561 Ca 0.03 -1.83 0.00 0.00 -2.23 0.00 0.00 60.65 56.62 3rpb s ILE 561 Cb -0.15 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 3rpb s ILE 561 CO 0.00 -0.87 0.23 -0.38 -1.23 0.00 0.00 174.94 172.69 3rpb n ILE 562 N 4.83 0.00 -3.85 2.92 -0.00 -0.81 0.25 119.36 122.70 3rpb n ILE 562 Ca -0.06 0.55 -0.08 0.00 -0.00 0.00 0.00 62.75 63.16 3rpb n ILE 562 Cb 0.41 -1.19 -0.01 0.00 -0.00 0.00 0.00 39.64 38.86 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 -0.93 1.90 0.18 0.38 1.70 -1.24 0.21 118.95 121.15 3rpb s ARG 563 Ca 0.00 -1.13 0.06 0.00 -0.47 0.00 0.00 55.73 54.20 3rpb s ARG 563 Cb 0.00 0.61 -0.05 0.00 -0.57 0.00 0.00 34.95 34.94 3rpb s ARG 563 CO 0.00 -0.87 -0.13 0.00 -1.08 0.00 0.00 175.30 173.22 3rpb s VAL 565 N -3.05 0.05 -1.13 0.00 -7.23 0.22 -3.74 120.40 105.52 3rpb s VAL 565 Ca 0.19 -0.45 -0.06 0.00 -1.81 0.00 0.00 61.98 59.85 3rpb s VAL 565 Cb 0.00 -0.24 -0.04 0.00 0.56 0.00 0.00 36.38 36.67 3rpb s VAL 565 CO 0.04 -0.25 0.89 1.57 -0.31 0.00 0.00 175.10 177.04 3rpb n HIS 566 N 2.20 -2.25 -3.25 2.82 -0.00 -1.18 -0.03 115.22 113.53 3rpb n HIS 566 Ca -0.18 0.82 -0.31 0.00 0.46 0.00 0.00 57.72 58.50 3rpb n HIS 566 Cb 0.57 -4.28 -0.05 0.00 -0.12 0.00 0.00 29.99 26.11 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 -5.95 4.08 0.67 0.27 1.43 -0.86 -0.48 118.68 117.83 3rpb s LEU 567 Ca 0.29 1.03 -0.15 0.00 -1.03 0.00 0.00 54.13 54.27 3rpb s LEU 567 Cb -0.05 -3.82 0.00 0.00 0.03 0.00 0.00 46.19 42.34 3rpb s LEU 567 CO 0.77 -0.17 1.11 0.00 0.23 0.00 0.00 176.35 178.29 3rpb s ALA 568 N -1.97 2.45 -0.25 4.21 0.00 -1.13 -4.78 121.76 120.29 3rpb s ALA 568 Ca 0.49 0.55 -0.06 0.00 0.00 0.00 0.00 51.96 52.95 3rpb s ALA 568 Cb -0.11 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 3rpb s ALA 568 CO 0.22 -1.32 0.02 0.00 0.00 0.00 0.00 175.76 174.69 3rpb s ALA 569 N -2.34 2.98 -0.28 0.00 0.00 -1.26 -4.35 121.76 116.51 3rpb s ALA 569 Ca 0.67 -1.26 0.21 0.00 0.00 0.00 0.00 51.96 51.59 3rpb s ALA 569 Cb -0.21 -1.94 0.10 0.00 0.00 0.00 0.00 23.12 21.07 3rpb s ALA 569 CO 0.42 -0.61 1.24 0.52 0.00 0.00 0.00 175.76 177.32 3rpb h MET 570 N 8.18 0.00 -6.91 0.00 2.86 -1.62 -3.45 114.93 113.98 3rpb h MET 570 Ca -0.37 0.00 -0.48 0.00 -2.06 0.00 0.00 59.70 56.79 3rpb h MET 570 Cb 1.15 0.00 0.04 0.00 0.06 0.00 0.00 31.60 32.85 3rpb h MET 570 CO 0.59 0.08 0.06 -0.51 1.06 0.00 0.00 176.91 178.19 3rpb s ASP 571 N -5.78 5.90 0.00 1.22 1.11 -0.98 -4.97 116.67 113.17 3rpb s ASP 571 Ca 0.02 0.65 0.26 0.00 0.18 0.00 0.00 52.55 53.66 3rpb s ASP 571 Cb 0.08 -1.85 1.34 0.00 1.07 0.00 0.00 42.92 43.56 3rpb s ASP 571 CO 0.75 -0.77 1.89 0.00 1.18 0.00 0.00 175.17 178.22 3rpb n ALA 572 N -2.30 2.33 0.91 5.23 0.00 -1.26 -2.76 120.51 122.66 3rpb n ALA 572 Ca 0.02 -0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.46 3rpb n ALA 572 Cb 0.57 -1.42 0.47 0.00 0.00 0.00 0.00 19.45 19.06 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 -1.26 0.29 0.00 0.00 3.02 -1.26 -4.91 115.26 111.14 3rpb n ASN 573 Ca 0.13 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 3rpb n ASN 573 Cb 0.20 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 3rpb n ASN 573 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3rpb n GLY 574 N 1.46 0.79 0.00 7.41 0.00 -1.11 -5.07 105.19 108.67 3rpb n GLY 574 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.13 0.00 -3.86 1.61 4.02 -1.26 -4.52 117.16 111.01 3rpb n TYR 575 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 3rpb n TYR 575 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 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 -0.74 0.03 -0.55 7.72 0.01 -1.26 -1.50 113.70 117.41 3rpb s SER 576 Ca 0.00 -1.03 0.05 0.00 1.31 0.00 0.00 55.95 56.28 3rpb s SER 576 Cb 0.00 0.78 0.36 0.00 0.21 0.00 0.00 66.02 67.37 3rpb s SER 576 CO 0.00 -1.53 0.98 0.47 0.41 0.00 0.00 173.24 173.57 3rpb n ASP 577 N -1.10 4.54 -4.77 2.44 9.92 -1.26 0.21 116.55 126.54 3rpb n ASP 577 Ca -0.06 -3.70 -0.38 0.00 -0.53 0.00 0.00 54.79 50.13 3rpb n ASP 577 Cb 0.60 -0.54 0.00 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 -3.49 3.63 0.08 -0.24 0.04 -1.24 0.25 135.00 134.04 3rpb s PRO 578 Ca 0.49 1.91 -0.07 0.00 0.04 0.00 0.00 61.00 63.37 3rpb s PRO 578 Cb 0.30 -2.40 -0.01 0.00 0.04 0.00 0.00 34.50 32.43 3rpb s PRO 578 CO -0.15 -0.70 0.14 -0.59 0.04 0.00 0.00 177.00 175.74 3rpb s PHE 579 N -1.46 0.23 -0.13 0.56 -0.71 0.38 -2.16 117.98 114.69 3rpb s PHE 579 Ca 0.65 -0.69 -0.02 0.00 -1.04 0.00 0.00 56.93 55.83 3rpb s PHE 579 Cb -0.32 -0.13 -0.03 0.00 -1.21 0.00 0.00 43.02 41.33 3rpb s PHE 579 CO 0.39 -0.51 -0.04 0.08 -1.34 0.00 0.00 175.22 173.80 3rpb s VAL 580 N -3.86 3.87 -0.10 -2.49 1.01 -1.26 -0.66 120.40 116.90 3rpb s VAL 580 Ca 0.05 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.68 3rpb s VAL 580 Cb 0.05 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 3rpb s VAL 580 CO -0.11 0.53 -0.21 -0.54 0.00 0.00 0.00 175.10 174.77 3rpb s LYS 581 N -0.02 3.08 0.01 2.72 1.02 0.28 0.12 119.74 126.96 3rpb s LYS 581 Ca 0.01 -0.82 0.08 0.00 0.02 0.00 0.00 55.97 55.26 3rpb s LYS 581 Cb -0.13 -2.38 -0.02 0.00 -0.52 0.00 0.00 37.83 34.77 3rpb s LYS 581 CO 0.03 0.22 -0.25 -0.51 -0.92 0.00 0.00 175.35 173.91 3rpb s LEU 582 N 0.27 2.10 -0.20 3.17 1.02 -0.96 0.18 118.68 124.26 3rpb s LEU 582 Ca -0.15 -0.51 -0.04 0.00 0.02 0.00 0.00 54.13 53.45 3rpb s LEU 582 Cb -0.17 -1.27 0.10 0.00 0.02 0.00 0.00 46.19 44.87 3rpb s LEU 582 CO 0.07 0.28 0.31 0.86 0.02 0.00 0.00 176.35 177.90 3rpb s TRP 583 N -0.69 -0.58 0.01 0.29 -0.00 -1.02 0.21 118.94 117.17 3rpb s TRP 583 Ca 0.10 0.78 -0.18 0.00 -0.00 0.00 0.00 56.10 56.80 3rpb s TRP 583 Cb -0.10 -0.06 -0.06 0.00 -0.00 0.00 0.00 33.47 33.25 3rpb s TRP 583 CO 0.00 -0.58 0.52 -1.17 -0.00 0.00 0.00 176.95 175.73 3rpb s LEU 584 N 2.46 4.45 0.15 5.86 2.96 -1.25 -1.22 118.68 132.10 3rpb s LEU 584 Ca 0.07 1.10 -0.05 0.00 -0.22 0.00 0.00 54.13 55.03 3rpb s LEU 584 Cb -0.14 -2.79 -0.03 0.00 0.50 0.00 0.00 46.19 43.73 3rpb s LEU 584 CO -0.13 0.21 0.17 -1.59 -1.32 0.00 0.00 176.35 173.69 3rpb s LYS 585 N -0.65 1.06 0.22 1.98 -2.85 -0.94 -3.82 119.74 114.75 3rpb s LYS 585 Ca 0.28 -1.35 0.16 0.00 -1.00 0.00 0.00 55.97 54.06 3rpb s LYS 585 Cb -0.18 0.31 0.83 0.00 -2.06 0.00 0.00 37.83 36.73 3rpb s LYS 585 CO 0.16 -0.35 1.48 -2.30 0.10 0.00 0.00 175.35 174.44 3rpb n PRO 586 N -0.17 0.10 0.00 1.78 -0.02 -1.26 0.62 135.00 136.06 3rpb n PRO 586 Ca -0.05 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3rpb n PRO 586 Cb 0.64 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 3rpb n PRO 586 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3rpb n ASP 587 N -2.03 -2.39 -0.26 2.55 9.92 -1.25 -4.24 116.55 118.85 3rpb n ASP 587 Ca -0.01 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.31 3rpb n ASP 587 Cb 0.04 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 3rpb n ASP 587 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 3rpb n MET 588 N -0.13 1.93 -2.98 -1.24 2.81 -1.26 -5.06 117.12 111.19 3rpb n MET 588 Ca 0.00 -0.67 -0.03 0.00 -1.81 0.00 0.00 57.70 55.19 3rpb n MET 588 Cb 0.00 -1.12 0.02 0.00 -0.71 0.00 0.00 33.22 31.40 3rpb n MET 588 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3rpb n GLY 589 N 0.92 0.96 0.02 3.03 0.00 -1.26 -5.03 105.19 103.84 3rpb n GLY 589 Ca 0.05 -1.10 0.11 0.00 0.00 0.00 0.00 46.02 45.08 3rpb n GLY 589 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3rpb n LYS 590 N -0.45 0.26 -0.11 1.61 5.02 -1.26 -4.00 118.16 119.23 3rpb n LYS 590 Ca -0.03 -0.02 0.03 0.00 -2.02 0.00 0.00 58.31 56.27 3rpb n LYS 590 Cb 0.39 -1.56 0.08 0.00 -0.02 0.00 0.00 35.03 33.91 3rpb n LYS 590 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3rpb n LYS 591 N -1.88 1.49 0.00 1.97 4.76 -1.26 -3.97 118.16 119.27 3rpb n LYS 591 Ca 0.02 -0.63 0.04 0.00 -2.87 0.00 0.00 58.31 54.87 3rpb n LYS 591 Cb 0.43 -1.24 0.21 0.00 -1.84 0.00 0.00 35.03 32.59 3rpb n LYS 591 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3rpb n ALA 592 N 0.03 1.49 -1.38 7.82 0.00 -1.26 -4.76 120.51 122.45 3rpb n ALA 592 Ca 0.06 -0.04 -0.32 0.00 0.00 0.00 0.00 53.44 53.14 3rpb n ALA 592 Cb 0.21 -1.15 0.07 0.00 0.00 0.00 0.00 19.45 18.58 3rpb n ALA 592 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3rpb s LYS 593 N -2.82 2.53 0.26 0.00 1.02 -1.25 -3.93 119.74 115.55 3rpb s LYS 593 Ca 0.06 1.22 -0.01 0.00 0.02 0.00 0.00 55.97 57.26 3rpb s LYS 593 Cb 0.06 -1.93 -0.03 0.00 -0.52 0.00 0.00 37.83 35.42 3rpb s LYS 593 CO 0.15 -1.44 0.27 -1.01 -0.92 0.00 0.00 175.35 172.41 3rpb s HIS 594 N -2.71 1.14 -0.26 3.18 3.76 0.58 -4.88 115.29 116.09 3rpb s HIS 594 Ca 0.63 -1.32 -0.05 0.00 -0.15 0.00 0.00 55.06 54.17 3rpb s HIS 594 Cb -0.18 -0.39 0.14 0.00 1.11 0.00 0.00 32.58 33.26 3rpb s HIS 594 CO 0.50 -0.83 0.51 0.15 -0.85 0.00 0.00 174.74 174.23 3rpb s LYS 595 N -3.81 0.46 0.83 1.40 3.01 -1.25 -2.27 119.74 118.12 3rpb s LYS 595 Ca 0.35 1.00 -0.11 0.00 -1.01 0.00 0.00 55.97 56.20 3rpb s LYS 595 Cb 0.04 0.32 0.09 0.00 -1.01 0.00 0.00 37.83 37.27 3rpb s LYS 595 CO 0.16 -0.44 1.10 0.95 0.51 0.00 0.00 175.35 177.62 3rpb s THR 596 N 2.73 2.92 0.23 2.17 -4.23 0.33 -4.93 115.64 114.87 3rpb s THR 596 Ca 0.07 0.30 -0.28 0.00 -1.18 0.00 0.00 61.69 60.60 3rpb s THR 596 Cb -0.14 -2.95 -0.16 0.00 1.34 0.00 0.00 72.50 70.59 3rpb s THR 596 CO -0.17 -0.39 0.73 0.00 -0.54 0.00 0.00 174.62 174.25 3rpb n GLN 597 N -3.59 0.53 -2.72 3.99 10.64 -1.26 -4.36 117.38 120.62 3rpb n GLN 597 Ca 0.07 0.19 -0.42 0.00 -1.83 0.00 0.00 57.00 55.00 3rpb n GLN 597 Cb 0.56 -1.35 -0.03 0.00 -0.86 0.00 0.00 30.24 28.56 3rpb n GLN 597 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 3rpb s ILE 598 N -0.97 4.76 -1.09 -0.39 -1.09 -1.26 -4.65 121.20 116.50 3rpb s ILE 598 Ca 0.63 1.96 -0.09 0.00 -2.23 0.00 0.00 60.65 60.92 3rpb s ILE 598 Cb -0.85 -4.28 0.27 0.00 -1.58 0.00 0.00 42.46 36.02 3rpb s ILE 598 CO 0.57 -0.06 1.08 -0.75 -1.23 0.00 0.00 174.94 174.55 3rpb s LYS 599 N 2.50 4.13 0.68 2.79 2.47 -0.92 -5.02 119.74 126.37 3rpb s LYS 599 Ca 0.45 -3.22 -0.17 0.00 -1.56 0.00 0.00 55.97 51.47 3rpb s LYS 599 Cb -0.17 -4.51 -0.05 0.00 -1.46 0.00 0.00 37.83 31.64 3rpb s LYS 599 CO 0.12 -1.24 0.53 1.63 0.16 0.00 0.00 175.35 176.55 3rpb n LYS 600 N 2.68 0.37 -2.68 4.03 4.76 -1.26 -3.58 118.16 122.48 3rpb n LYS 600 Ca 0.24 0.16 -0.22 0.00 -2.87 0.00 0.00 58.31 55.62 3rpb n LYS 600 Cb 0.39 -1.80 0.02 0.00 -1.84 0.00 0.00 35.03 31.80 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 -0.52 -1.11 -3.65 1.97 4.76 0.02 -4.82 118.16 114.81 3rpb n LYS 601 Ca 0.10 0.77 -0.02 0.00 -2.87 0.00 0.00 58.31 56.29 3rpb n LYS 601 Cb 0.49 -1.23 -0.06 0.00 -1.84 0.00 0.00 35.03 32.39 3rpb n LYS 601 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 3rpb s THR 602 N -1.24 0.00 -0.13 -0.18 -1.32 0.56 -4.80 115.64 108.54 3rpb s THR 602 Ca 0.19 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.70 3rpb s THR 602 Cb -0.02 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.93 3rpb s THR 602 CO 0.53 0.00 0.13 0.18 -2.21 0.00 0.00 174.62 173.25 3rpb n LEU 603 N 1.37 0.13 -2.56 9.08 4.77 -1.26 -3.99 117.00 124.54 3rpb n LEU 603 Ca -0.08 -0.40 -0.18 0.00 -0.03 0.00 0.00 56.01 55.32 3rpb n LEU 603 Cb 0.57 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.68 3rpb n LEU 603 CO 0.02 0.03 0.04 0.59 -1.33 0.00 0.00 177.39 176.75 3rpb n ASN 604 N -1.19 3.13 -3.68 -1.43 3.02 -1.26 -2.04 115.26 111.82 3rpb n ASN 604 Ca 0.00 -3.21 -0.26 0.00 -0.03 0.00 0.00 54.58 51.08 3rpb n ASN 604 Cb 0.06 -0.49 0.18 0.00 -0.61 0.00 0.00 39.78 38.93 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 -0.30 -1.25 -3.82 3.52 -0.04 -1.25 -4.88 135.00 126.98 3rpb n PRO 605 Ca 0.25 -1.81 -0.26 0.00 -0.04 0.00 0.00 63.50 61.63 3rpb n PRO 605 Cb 0.75 -1.23 -0.17 0.00 -0.04 0.00 0.00 33.50 32.81 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 -5.57 1.00 -0.13 0.54 -6.30 -1.26 -2.86 118.70 104.12 3rpb s GLU 606 Ca 0.67 -0.21 -0.10 0.00 -2.50 0.00 0.00 54.97 52.83 3rpb s GLU 606 Cb -0.02 -1.55 -0.06 0.00 0.00 0.00 0.00 34.13 32.49 3rpb s GLU 606 CO 0.47 -0.39 0.04 0.74 0.02 0.00 0.00 175.26 176.14 3rpb h PHE 607 N 8.23 0.00 -6.15 5.30 0.04 0.23 -3.48 116.94 121.12 3rpb h PHE 607 Ca -0.22 0.00 -0.43 0.00 2.80 0.00 0.00 57.97 60.12 3rpb h PHE 607 Cb 1.12 0.00 0.04 0.00 2.20 0.00 0.00 35.95 39.31 3rpb h PHE 607 CO 0.43 0.30 -0.83 -1.71 -0.60 0.00 0.00 178.31 175.90 3rpb n ASN 608 N -4.65 -1.23 -4.56 2.17 2.85 0.71 -4.91 115.26 105.64 3rpb n ASN 608 Ca -0.08 -0.84 -0.34 0.00 -0.11 0.00 0.00 54.58 53.21 3rpb n ASN 608 Cb 0.24 -3.92 -0.11 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 -6.08 3.51 -0.33 1.20 0.41 0.28 -4.90 118.70 112.79 3rpb s GLU 609 Ca 0.04 -0.48 -0.09 0.00 -0.41 0.00 0.00 54.97 54.03 3rpb s GLU 609 Cb -0.02 -2.90 0.02 0.00 -1.78 0.00 0.00 34.13 29.45 3rpb s GLU 609 CO 0.82 0.37 0.14 -1.21 -0.49 0.00 0.00 175.26 174.89 3rpb s GLU 610 N 0.03 2.99 0.60 1.61 0.41 -1.26 0.17 118.70 123.24 3rpb s GLU 610 Ca 0.01 -0.95 0.01 0.00 -0.41 0.00 0.00 54.97 53.64 3rpb s GLU 610 Cb -0.13 -3.54 0.06 0.00 -1.78 0.00 0.00 34.13 28.74 3rpb s GLU 610 CO 0.02 -0.55 0.84 -0.06 -0.49 0.00 0.00 175.26 175.02 3rpb s PHE 611 N 1.53 2.40 -0.09 1.61 0.40 0.66 -4.93 117.98 119.55 3rpb s PHE 611 Ca 0.02 -0.14 -0.04 0.00 -0.60 0.00 0.00 56.93 56.18 3rpb s PHE 611 Cb -0.18 -2.79 0.05 0.00 0.51 0.00 0.00 43.02 40.61 3rpb s PHE 611 CO 0.05 -1.13 0.19 0.12 0.70 0.00 0.00 175.22 175.14 3rpb s PHE 612 N -2.86 -0.25 0.18 0.36 5.36 -1.26 -2.70 117.98 116.81 3rpb s PHE 612 Ca 0.60 0.68 0.05 0.00 -0.96 0.00 0.00 56.93 57.31 3rpb s PHE 612 Cb -0.09 -0.13 -0.04 0.00 -0.34 0.00 0.00 43.02 42.42 3rpb s PHE 612 CO 0.40 -0.26 0.14 0.71 -1.46 0.00 0.00 175.22 174.76 3rpb s TYR 613 N 1.93 3.14 -0.76 10.12 1.51 0.43 -4.94 117.35 128.79 3rpb s TYR 613 Ca -0.02 -0.03 0.03 0.00 -1.01 0.00 0.00 57.07 56.04 3rpb s TYR 613 Cb -0.12 -1.49 0.31 0.00 -0.11 0.00 0.00 41.96 40.55 3rpb s TYR 613 CO -0.07 0.52 1.18 -3.47 -1.11 0.00 0.00 175.55 172.60 3rpb n ASP 614 N -0.47 5.26 -4.13 2.29 -0.08 -1.26 -1.90 116.55 116.25 3rpb n ASP 614 Ca -0.08 -3.60 -0.24 0.00 -1.51 0.00 0.00 54.79 49.35 3rpb n ASP 614 Cb 0.55 -0.82 -0.15 0.00 2.34 0.00 0.00 41.12 43.04 3rpb n ASP 614 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 3rpb s ILE 615 N -3.79 1.28 0.13 5.18 1.10 -1.26 -4.95 121.20 118.89 3rpb s ILE 615 Ca 0.42 -0.68 -0.31 0.00 -0.51 0.00 0.00 60.65 59.58 3rpb s ILE 615 Cb 0.20 -1.08 -0.08 0.00 0.15 0.00 0.00 42.46 41.66 3rpb s ILE 615 CO -0.08 0.37 1.29 -0.54 -2.11 0.00 0.00 174.94 173.87 3rpb s LYS 616 N -0.26 4.40 0.29 3.50 3.01 -1.26 -4.20 119.74 125.21 3rpb s LYS 616 Ca 0.04 1.95 -0.00 0.00 -1.01 0.00 0.00 55.97 56.95 3rpb s LYS 616 Cb -0.07 -3.26 0.66 0.00 -1.01 0.00 0.00 37.83 34.15 3rpb s LYS 616 CO 0.00 -0.29 1.62 1.25 0.51 0.00 0.00 175.35 178.44 3rpb h HIS 617 N 6.21 0.11 -0.38 3.18 -0.00 -1.95 1.36 115.15 123.67 3rpb h HIS 617 Ca -0.43 0.06 0.11 0.00 -0.00 0.00 0.00 60.37 60.11 3rpb h HIS 617 Cb 1.21 0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 28.70 3rpb h HIS 617 CO 0.65 -0.30 0.45 0.77 -0.00 0.00 0.00 177.93 179.49 3rpb h SER 618 N 0.10 0.00 0.00 3.26 0.02 -2.01 0.36 113.55 115.28 3rpb h SER 618 Ca 0.54 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 61.15 3rpb h SER 618 Cb 1.07 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.55 3rpb h SER 618 CO -0.76 0.00 -2.33 0.47 -1.14 0.00 0.00 176.83 173.08 3rpb n ASP 619 N -3.62 0.14 -0.06 3.07 9.92 0.43 -4.62 116.55 121.82 3rpb n ASP 619 Ca 0.07 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.31 3rpb n ASP 619 Cb 0.62 1.05 -0.01 0.00 -0.64 0.00 0.00 41.12 42.13 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 -2.70 -0.14 -0.28 0.64 4.77 0.81 -0.37 117.00 119.73 3rpb n LEU 620 Ca -0.30 0.85 -0.00 0.00 -0.03 0.00 0.00 56.01 56.52 3rpb n LEU 620 Cb 1.10 -0.34 0.03 0.00 -2.33 0.00 0.00 43.42 41.89 3rpb n LEU 620 CO 0.42 -0.50 0.44 0.00 -1.33 0.00 0.00 177.39 176.41 3rpb n ALA 621 N -2.87 -0.07 0.29 -1.18 0.00 -1.24 0.30 120.51 115.73 3rpb n ALA 621 Ca 0.00 0.74 0.16 0.00 0.00 0.00 0.00 53.44 54.34 3rpb n ALA 621 Cb 0.04 -0.34 0.85 0.00 0.00 0.00 0.00 19.45 20.00 3rpb n ALA 621 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3rpb h LYS 622 N 0.00 0.00 -7.20 0.00 6.56 -0.99 -2.95 116.57 111.99 3rpb h LYS 622 Ca 0.26 0.00 -0.46 0.00 -1.06 0.00 0.00 60.65 59.40 3rpb h LYS 622 Cb 0.45 0.00 0.20 0.00 -0.57 0.00 0.00 32.23 32.31 3rpb h LYS 622 CO -0.74 0.06 0.08 0.15 -2.06 0.00 0.00 179.45 176.95 3rpb s LYS 623 N -4.14 -0.34 -0.27 3.15 -0.14 0.87 -4.60 119.74 114.26 3rpb s LYS 623 Ca -0.03 0.93 -0.02 0.00 -1.36 0.00 0.00 55.97 55.50 3rpb s LYS 623 Cb 0.13 -1.61 0.12 0.00 -1.68 0.00 0.00 37.83 34.78 3rpb s LYS 623 CO 0.53 -3.36 0.25 -1.12 -0.76 0.00 0.00 175.35 170.89 3rpb s SER 624 N -2.69 1.95 -0.16 2.83 0.01 0.20 -3.58 113.70 112.27 3rpb s SER 624 Ca 0.67 -0.74 -0.29 0.00 1.31 0.00 0.00 55.95 56.91 3rpb s SER 624 Cb -0.24 0.33 -0.00 0.00 0.21 0.00 0.00 66.02 66.32 3rpb s SER 624 CO 0.62 -0.38 1.03 -0.22 0.41 0.00 0.00 173.24 174.70 3rpb s LEU 625 N 2.31 4.18 -0.53 2.44 2.96 0.16 -2.22 118.68 127.98 3rpb s LEU 625 Ca 0.09 1.47 -0.09 0.00 -0.22 0.00 0.00 54.13 55.38 3rpb s LEU 625 Cb -0.15 -3.55 0.13 0.00 0.50 0.00 0.00 46.19 43.13 3rpb s LEU 625 CO -0.29 -0.56 0.40 -0.62 -1.32 0.00 0.00 176.35 173.96 3rpb s ASP 626 N 1.17 5.75 -0.57 3.68 2.15 -0.36 0.26 116.67 128.74 3rpb s ASP 626 Ca 0.46 -2.11 -0.21 0.00 0.43 0.00 0.00 52.55 51.13 3rpb s ASP 626 Cb -0.17 -2.01 0.07 0.00 -0.30 0.00 0.00 42.92 40.51 3rpb s ASP 626 CO 0.12 -0.64 0.79 -0.63 -0.17 0.00 0.00 175.17 174.64 3rpb s ILE 627 N 1.07 4.62 -0.08 4.11 1.09 0.29 -2.44 121.20 129.86 3rpb s ILE 627 Ca 0.08 -0.40 0.04 0.00 -1.10 0.00 0.00 60.65 59.27 3rpb s ILE 627 Cb -0.24 -4.49 -0.01 0.00 -1.06 0.00 0.00 42.46 36.66 3rpb s ILE 627 CO -0.02 -1.10 -0.21 -0.44 -0.10 0.00 0.00 174.94 173.06 3rpb s SER 628 N 3.17 3.35 -0.22 3.58 0.01 0.13 0.20 113.70 123.92 3rpb s SER 628 Ca 0.19 -0.46 -0.10 0.00 1.31 0.00 0.00 55.95 56.90 3rpb s SER 628 Cb -0.18 -1.15 -0.05 0.00 0.21 0.00 0.00 66.02 64.85 3rpb s SER 628 CO 0.12 0.22 0.13 -0.69 0.41 0.00 0.00 173.24 173.42 3rpb s VAL 629 N 0.02 5.19 0.08 3.43 1.01 0.47 0.10 120.40 130.71 3rpb s VAL 629 Ca -0.08 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.10 3rpb s VAL 629 Cb -0.15 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 3rpb s VAL 629 CO 0.05 0.38 -0.21 0.26 0.00 0.00 0.00 175.10 175.58 3rpb s TRP 630 N 0.86 1.84 -0.31 5.22 0.52 0.16 -1.04 118.94 126.19 3rpb s TRP 630 Ca 0.07 -0.40 -0.24 0.00 0.02 0.00 0.00 56.10 55.54 3rpb s TRP 630 Cb -0.13 -1.04 0.00 0.00 -1.15 0.00 0.00 33.47 31.16 3rpb s TRP 630 CO 0.03 0.18 0.83 0.34 0.02 0.00 0.00 176.95 178.34 3rpb s ASP 631 N -1.66 6.70 1.02 2.95 -1.08 0.46 -0.47 116.67 124.58 3rpb s ASP 631 Ca 0.07 0.71 -0.12 0.00 -0.52 0.00 0.00 52.55 52.69 3rpb s ASP 631 Cb -0.10 -2.43 0.20 0.00 -1.46 0.00 0.00 42.92 39.14 3rpb s ASP 631 CO 0.03 -0.66 1.08 -0.47 0.52 0.00 0.00 175.17 175.67 3rpb s TYR 632 N 3.06 1.90 -0.28 -5.34 6.14 0.71 0.45 117.35 123.99 3rpb s TYR 632 Ca 0.34 1.16 -0.11 0.00 0.64 0.00 0.00 57.07 59.10 3rpb s TYR 632 Cb -0.14 -3.19 0.11 0.00 0.42 0.00 0.00 41.96 39.16 3rpb s TYR 632 CO 0.13 -3.07 0.63 -0.51 0.64 0.00 0.00 175.55 173.38 3rpb s ASP 633 N -3.12 -1.00 -0.09 4.32 1.11 -1.26 -4.34 116.67 112.28 3rpb s ASP 633 Ca 0.66 1.49 -0.24 0.00 0.18 0.00 0.00 52.55 54.64 3rpb s ASP 633 Cb -0.21 1.92 -0.03 0.00 1.07 0.00 0.00 42.92 45.67 3rpb s ASP 633 CO 0.60 -0.23 0.73 0.27 1.18 0.00 0.00 175.17 177.72 3rpb s ILE 634 N 2.47 5.01 0.00 0.77 -0.00 -1.26 -3.63 121.20 124.56 3rpb s ILE 634 Ca -0.07 1.48 0.00 0.00 -0.00 0.00 0.00 60.65 62.06 3rpb s ILE 634 Cb -0.10 -4.06 0.00 0.00 -0.00 0.00 0.00 42.46 38.30 3rpb s ILE 634 CO -0.19 0.20 0.00 0.61 -0.00 0.00 0.00 174.94 175.56 3rpb n GLY 635 N 3.22 2.12 1.26 6.27 0.00 -1.26 -4.95 105.19 111.85 3rpb n GLY 635 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.33 -2.20 1.61 4.76 -1.24 -5.16 118.16 114.26 3rpb n LYS 636 Ca 0.00 -1.31 -0.30 0.00 -2.87 0.00 0.00 58.31 53.84 3rpb n LYS 636 Cb 0.00 0.97 0.00 0.00 -1.84 0.00 0.00 35.03 34.17 3rpb n LYS 636 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3rpb s SER 637 N -1.92 6.27 1.02 4.39 0.01 -1.26 -4.65 113.70 117.55 3rpb s SER 637 Ca 0.13 1.24 -0.13 0.00 1.31 0.00 0.00 55.95 58.51 3rpb s SER 637 Cb 0.01 -2.39 0.18 0.00 0.21 0.00 0.00 66.02 64.03 3rpb s SER 637 CO 0.10 -0.74 0.98 0.59 0.41 0.00 0.00 173.24 174.58 3rpb n ASN 638 N -2.48 -0.17 -3.99 2.44 5.03 -1.26 -4.39 115.26 110.44 3rpb n ASN 638 Ca 0.04 -1.32 -0.09 0.00 0.87 0.00 0.00 54.58 54.08 3rpb n ASN 638 Cb 0.54 -0.77 -0.11 0.00 -1.02 0.00 0.00 39.78 38.43 3rpb n ASN 638 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3rpb s ASP 639 N -4.55 0.28 -0.37 6.41 1.01 0.17 -4.96 116.67 114.67 3rpb s ASP 639 Ca 0.56 -0.52 -0.21 0.00 0.71 0.00 0.00 52.55 53.09 3rpb s ASP 639 Cb -0.02 0.10 0.01 0.00 1.01 0.00 0.00 42.92 44.02 3rpb s ASP 639 CO 0.40 -0.31 0.68 -0.47 0.21 0.00 0.00 175.17 175.69 3rpb s TYR 640 N -1.55 3.13 -0.12 4.23 6.14 -1.26 0.17 117.35 128.09 3rpb s TYR 640 Ca -0.15 0.38 -0.04 0.00 0.64 0.00 0.00 57.07 57.89 3rpb s TYR 640 Cb -0.09 -3.25 -0.25 0.00 0.42 0.00 0.00 41.96 38.79 3rpb s TYR 640 CO -0.01 -0.69 0.36 -0.89 0.64 0.00 0.00 175.55 174.97 3rpb n ILE 641 N 5.68 1.75 0.00 3.14 5.41 -0.67 -4.85 119.36 129.83 3rpb n ILE 641 Ca 0.00 -0.67 0.00 0.00 1.00 0.00 0.00 62.75 63.08 3rpb n ILE 641 Cb 0.48 -1.65 0.00 0.00 -0.71 0.00 0.00 39.64 37.77 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 1.97 3.67 0.00 7.39 0.00 -0.20 -4.79 105.19 113.22 3rpb n GLY 642 Ca -0.31 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.41 2.05 3.54 -0.02 0.00 0.11 0.18 105.19 109.64 3rpb n GLY 643 Ca 0.00 -0.99 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.89 3.63 -0.40 0.00 -0.21 -1.26 -0.55 119.66 119.98 3rpb s GLN 645 Ca -0.09 -0.04 0.01 0.00 0.02 0.00 0.00 55.36 55.26 3rpb s GLN 645 Cb -0.01 -2.96 0.14 0.00 1.00 0.00 0.00 33.01 31.18 3rpb s GLN 645 CO 0.08 0.55 0.24 -0.51 -2.12 0.00 0.00 175.29 173.53 3rpb s LEU 646 N -2.22 1.79 0.03 2.90 1.43 0.72 -4.82 118.68 118.51 3rpb s LEU 646 Ca 0.35 -2.47 0.03 0.00 -1.03 0.00 0.00 54.13 51.01 3rpb s LEU 646 Cb -0.13 -0.69 -0.02 0.00 0.03 0.00 0.00 46.19 45.39 3rpb s LEU 646 CO 0.21 -0.28 -0.10 -0.83 0.23 0.00 0.00 176.35 175.59 3rpb s GLY 647 N 0.64 0.55 0.21 -3.19 0.00 -1.26 0.40 107.32 104.66 3rpb s GLY 647 Ca 0.19 -0.63 0.14 0.00 0.00 0.00 0.00 44.72 44.43 3rpb s GLY 647 CO -0.01 -0.62 1.44 4.51 0.00 0.00 0.00 173.10 178.42 3rpb n ILE 648 N 2.11 1.37 0.96 0.90 3.06 -1.11 -0.43 119.36 126.22 3rpb n ILE 648 Ca -0.18 0.65 0.03 0.00 -2.50 0.00 0.00 62.75 60.76 3rpb n ILE 648 Cb 0.56 -1.65 0.11 0.00 0.54 0.00 0.00 39.64 39.20 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 -2.00 1.69 -4.89 9.51 2.88 -1.26 -4.87 113.62 114.68 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 -0.29 0.06 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 3.95 -0.12 -1.46 0.00 0.43 -5.10 121.76 117.81 3rpb s ALA 650 Ca 0.16 -1.55 -0.07 0.00 0.00 0.00 0.00 51.96 50.50 3rpb s ALA 650 Cb 0.10 -1.97 0.05 0.00 0.00 0.00 0.00 23.12 21.30 3rpb s ALA 650 CO 0.09 -0.95 0.30 0.15 0.00 0.00 0.00 175.76 175.34 3rpb s LYS 651 N -4.85 0.28 0.00 0.00 1.02 -1.26 -4.62 119.74 110.31 3rpb s LYS 651 Ca 0.60 0.57 0.00 0.00 0.02 0.00 0.00 55.97 57.16 3rpb s LYS 651 Cb -0.08 -0.04 0.00 0.00 -0.52 0.00 0.00 37.83 37.19 3rpb s LYS 651 CO 0.40 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 175.10 3rpb n GLY 652 N 3.97 3.05 1.71 -3.33 0.00 -1.26 -4.75 105.19 104.58 3rpb n GLY 652 Ca -0.22 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 44.97 3rpb n GLY 652 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3rpb n GLU 653 N 0.00 0.00 -0.45 1.61 2.13 -1.26 -4.87 120.64 117.80 3rpb n GLU 653 Ca 0.00 0.00 0.41 0.00 0.66 0.00 0.00 57.16 58.23 3rpb n GLU 653 Cb 0.00 -0.00 0.69 0.00 0.27 0.00 0.00 31.44 32.39 3rpb n GLU 653 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3rpb h ARG 654 N 0.00 0.00 0.03 5.31 3.08 -1.87 0.67 114.38 121.59 3rpb h ARG 654 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3rpb h ARG 654 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3rpb h ARG 654 CO 0.00 0.00 -0.22 1.25 -1.07 0.00 0.00 179.97 179.93 3rpb h LEU 655 N 0.00 0.10 -0.74 3.04 5.85 -1.82 -2.44 115.31 119.30 3rpb h LEU 655 Ca 0.71 -0.98 0.15 0.00 0.84 0.00 0.00 57.88 58.60 3rpb h LEU 655 Cb 3.16 -0.03 -0.10 0.00 0.37 0.00 0.00 40.66 44.06 3rpb h LEU 655 CO -0.01 1.10 0.24 0.11 -0.34 0.00 0.00 178.44 179.54 3rpb h LYS 656 N -0.86 0.33 0.06 1.25 1.57 -0.01 0.47 116.57 119.39 3rpb h LYS 656 Ca -0.04 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3rpb h LYS 656 Cb 1.15 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.38 3rpb h LYS 656 CO 0.03 0.22 -0.03 1.25 -0.57 0.00 0.00 179.45 180.35 3rpb h HIS 657 N 0.34 -0.08 0.00 -1.35 2.76 -1.52 -2.82 115.15 112.49 3rpb h HIS 657 Ca 0.42 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.58 3rpb h HIS 657 Cb 0.68 0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.67 3rpb h HIS 657 CO -0.21 -0.05 0.00 1.87 -1.30 0.00 0.00 177.93 178.24 3rpb n TRP 658 N -2.69 0.00 -0.38 5.26 -0.00 -0.92 -2.09 117.44 116.61 3rpb n TRP 658 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.48 3rpb n TRP 658 Cb 0.03 -0.18 0.04 0.00 -0.00 0.00 0.00 31.31 31.20 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 -1.11 -0.87 5.87 5.03 -1.10 0.27 116.97 125.06 3rpb h TYR 659 Ca 0.00 0.11 0.25 0.00 2.58 0.00 0.00 58.73 61.67 3rpb h TYR 659 Cb 0.00 0.63 -0.16 0.00 1.55 0.00 0.00 36.73 38.75 3rpb h TYR 659 CO -0.27 -0.40 0.05 0.39 -1.32 0.00 0.00 178.16 176.61 3rpb n GLU 660 N -5.47 -0.07 -0.34 1.82 -0.58 -0.89 0.30 120.64 115.41 3rpb n GLU 660 Ca 0.10 1.30 0.14 0.00 -0.42 0.00 0.00 57.16 58.28 3rpb n GLU 660 Cb 0.40 -2.08 0.33 0.00 -0.57 0.00 0.00 31.44 29.52 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 0.67 0.40 0.13 0.00 4.07 0.44 -2.73 115.31 118.29 3rpb h LEU 662 Ca 0.59 -0.09 -0.30 0.00 0.08 0.00 0.00 57.88 58.15 3rpb h LEU 662 Cb 0.99 -0.11 0.03 0.00 1.08 0.00 0.00 40.66 42.65 3rpb h LEU 662 CO -0.42 0.55 -1.28 0.07 -1.08 0.00 0.00 178.44 176.28 3rpb h LYS 663 N 0.40 0.57 -4.65 1.13 2.10 0.15 -3.41 116.57 112.86 3rpb h LYS 663 Ca 0.08 -0.80 -0.68 0.00 -2.00 0.00 0.00 60.65 57.25 3rpb h LYS 663 Cb 0.43 0.27 -0.37 0.00 -0.90 0.00 0.00 32.23 31.67 3rpb h LYS 663 CO 0.02 1.36 -0.67 -0.80 -2.00 0.00 0.00 179.45 177.37 3rpb s ASN 664 N -7.42 4.92 0.00 7.07 0.01 0.18 -4.99 114.94 114.71 3rpb s ASN 664 Ca -0.09 -1.90 0.00 0.00 -0.71 0.00 0.00 52.86 50.17 3rpb s ASN 664 Cb 0.06 -1.70 0.00 0.00 0.41 0.00 0.00 41.25 40.01 3rpb s ASN 664 CO 0.93 -0.40 0.00 2.29 -1.51 0.00 0.00 177.10 178.41 3rpb n LYS 665 N 4.44 0.00 -0.52 -0.60 0.00 -1.17 -4.22 118.16 116.10 3rpb n LYS 665 Ca -0.03 0.20 0.43 0.00 -0.00 0.00 0.00 58.31 58.91 3rpb n LYS 665 Cb 0.42 -0.63 0.66 0.00 -0.00 0.00 0.00 35.03 35.48 3rpb n LYS 665 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3rpb n ASP 666 N -1.86 0.00 -4.77 -5.58 8.00 -1.22 -3.30 116.55 107.82 3rpb n ASP 666 Ca 0.00 0.88 -0.32 0.00 0.71 0.00 0.00 54.79 56.06 3rpb n ASP 666 Cb 0.00 -0.40 -0.07 0.00 -0.02 0.00 0.00 41.12 40.63 3rpb n ASP 666 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3rpb s LYS 667 N -4.64 2.98 0.32 -1.24 1.02 -1.26 -4.99 119.74 111.93 3rpb s LYS 667 Ca -0.04 -0.56 0.04 0.00 0.02 0.00 0.00 55.97 55.44 3rpb s LYS 667 Cb 0.22 -2.80 -0.02 0.00 -0.52 0.00 0.00 37.83 34.71 3rpb s LYS 667 CO 0.72 0.62 0.48 -1.59 -0.92 0.00 0.00 175.35 174.66 3rpb s LYS 668 N -1.89 3.25 -0.20 1.68 0.00 -1.25 -4.51 119.74 116.82 3rpb s LYS 668 Ca 0.24 -0.78 0.01 0.00 0.00 0.00 0.00 55.97 55.44 3rpb s LYS 668 Cb -0.12 -2.78 0.04 0.00 0.00 0.00 0.00 37.83 34.97 3rpb s LYS 668 CO 0.16 0.13 -0.11 0.42 0.00 0.00 0.00 175.35 175.95 3rpb s ILE 669 N -2.19 1.74 -0.17 3.79 -1.09 0.45 -4.88 121.20 118.85 3rpb s ILE 669 Ca 0.42 -1.08 -0.07 0.00 -2.23 0.00 0.00 60.65 57.69 3rpb s ILE 669 Cb -0.09 -1.80 -0.04 0.00 -1.58 0.00 0.00 42.46 38.95 3rpb s ILE 669 CO 0.32 0.18 0.06 -0.70 -1.23 0.00 0.00 174.94 173.57 3rpb s GLU 670 N 1.35 3.87 0.16 2.79 2.12 -1.26 0.88 118.70 128.61 3rpb s GLU 670 Ca -0.02 -0.34 -0.16 0.00 0.36 0.00 0.00 54.97 54.81 3rpb s GLU 670 Cb -0.16 -3.17 0.03 0.00 0.26 0.00 0.00 34.13 31.08 3rpb s GLU 670 CO -0.08 0.33 0.45 1.03 -0.54 0.00 0.00 175.26 176.45 3rpb s ARG 671 N 0.20 1.23 -0.16 4.30 1.81 -0.29 -4.98 118.95 121.05 3rpb s ARG 671 Ca 0.04 -0.83 -0.07 0.00 -1.72 0.00 0.00 55.73 53.16 3rpb s ARG 671 Cb -0.12 0.49 -0.04 0.00 -0.45 0.00 0.00 34.95 34.82 3rpb s ARG 671 CO 0.01 -0.50 0.06 -1.58 -0.68 0.00 0.00 175.30 172.61 3rpb s TRP 672 N -3.85 3.28 -0.13 -0.53 0.52 -1.26 -0.69 118.94 116.28 3rpb s TRP 672 Ca 0.07 0.14 -0.00 0.00 0.02 0.00 0.00 56.10 56.34 3rpb s TRP 672 Cb 0.01 -2.02 -0.01 0.00 -1.15 0.00 0.00 33.47 30.29 3rpb s TRP 672 CO -0.06 0.27 -0.13 -1.01 0.02 0.00 0.00 176.95 176.04 3rpb s HIS 673 N 0.02 2.81 -0.66 -1.98 3.76 -0.86 -4.96 115.29 113.41 3rpb s HIS 673 Ca 0.06 -0.66 -0.27 0.00 -0.15 0.00 0.00 55.06 54.03 3rpb s HIS 673 Cb -0.12 -1.85 0.02 0.00 1.11 0.00 0.00 32.58 31.74 3rpb s HIS 673 CO 0.01 -0.22 1.35 -0.65 -0.85 0.00 0.00 174.74 174.38 3rpb s GLN 674 N 0.37 3.21 0.02 1.40 -0.21 -1.26 -1.79 119.66 121.39 3rpb s GLN 674 Ca -0.11 0.07 -0.39 0.00 0.02 0.00 0.00 55.36 54.95 3rpb s GLN 674 Cb -0.16 -4.16 -0.18 0.00 1.00 0.00 0.00 33.01 29.51 3rpb s GLN 674 CO 0.06 -2.09 1.25 1.28 -2.12 0.00 0.00 175.29 173.67 3rpb n LEU 675 N 9.62 0.97 -4.57 2.90 4.77 -0.46 -4.77 117.00 125.46 3rpb n LEU 675 Ca 0.08 1.14 -0.27 0.00 -0.03 0.00 0.00 56.01 56.93 3rpb n LEU 675 Cb 0.49 -1.07 -0.11 0.00 -2.33 0.00 0.00 43.42 40.41 3rpb n LEU 675 CO 0.71 -1.37 -0.35 -1.10 -1.33 0.00 0.00 177.39 173.94 3rpb s GLN 676 N 0.49 1.86 -0.25 3.23 -1.52 0.56 -4.58 119.66 119.45 3rpb s GLN 676 Ca 0.88 -1.99 -0.06 0.00 -1.95 0.00 0.00 55.36 52.24 3rpb s GLN 676 Cb -1.11 -1.68 -0.01 0.00 -0.22 0.00 0.00 33.01 29.99 3rpb s GLN 676 CO 0.53 0.08 0.03 1.21 -0.25 0.00 0.00 175.29 176.89 3rpb s ASN 677 N -3.64 4.85 -0.11 5.90 2.47 -1.26 0.08 114.94 123.22 3rpb s ASN 677 Ca 0.33 -0.41 -0.15 0.00 0.42 0.00 0.00 52.86 53.06 3rpb s ASN 677 Cb 0.05 -1.85 -0.13 0.00 -1.45 0.00 0.00 41.25 37.87 3rpb s ASN 677 CO 0.17 -0.07 0.44 1.05 -3.72 0.00 0.00 177.10 174.96 3rpb h GLU 678 N 8.19 -0.04 -6.18 0.43 4.11 -1.99 -3.46 114.58 115.64 3rpb h GLU 678 Ca -0.37 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 58.48 3rpb h GLU 678 Cb 1.16 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 3rpb h GLU 678 CO 0.59 0.43 -0.18 1.21 0.07 0.00 0.00 179.01 181.13 3rpb s ASN 679 N -5.80 6.72 0.00 3.06 3.04 -1.26 -5.24 114.94 115.46 3rpb s ASN 679 Ca -0.09 0.91 0.00 0.00 0.04 0.00 0.00 52.86 53.71 3rpb s ASN 679 Cb -0.01 -2.22 0.00 0.00 -1.54 0.00 0.00 41.25 37.48 3rpb s ASN 679 CO 0.35 0.16 0.22 1.57 -3.04 0.00 0.00 177.10 176.35