#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 -1.16 3.25 -0.13 0.00 0.50 -4.63 105.19 103.02 3rpb n GLY 542 Ca 0.00 -1.59 -0.26 0.00 0.00 0.00 0.00 46.02 44.17 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 -0.67 1.49 -0.11 1.61 1.02 0.31 -1.39 119.74 121.99 3rpb s LYS 543 Ca 0.00 -0.89 0.03 0.00 0.02 0.00 0.00 55.97 55.14 3rpb s LYS 543 Cb 0.00 -1.56 0.00 0.00 -0.52 0.00 0.00 37.83 35.76 3rpb s LYS 543 CO 0.00 0.41 -0.23 -1.50 -0.92 0.00 0.00 175.35 173.11 3rpb s ILE 544 N -0.71 2.04 -0.32 2.17 -1.16 -0.60 0.12 121.20 122.74 3rpb s ILE 544 Ca 0.08 -0.99 -0.29 0.00 -0.51 0.00 0.00 60.65 58.93 3rpb s ILE 544 Cb -0.09 -1.78 0.02 0.00 0.61 0.00 0.00 42.46 41.22 3rpb s ILE 544 CO 0.01 0.55 1.10 -0.22 -2.81 0.00 0.00 174.94 173.58 3rpb s LEU 545 N 0.53 3.92 -0.12 8.50 2.96 0.53 -1.73 118.68 133.27 3rpb s LEU 545 Ca -0.14 1.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.84 3rpb s LEU 545 Cb -0.17 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 3rpb s LEU 545 CO 0.05 -0.91 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.29 3rpb s VAL 546 N 3.75 2.52 0.05 1.68 1.01 -0.26 -1.75 120.40 127.40 3rpb s VAL 546 Ca 0.47 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.62 3rpb s VAL 546 Cb -0.12 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 3rpb s VAL 546 CO 0.17 0.54 0.04 -0.55 0.00 0.00 0.00 175.10 175.30 3rpb s SER 547 N 0.36 5.31 0.19 3.32 0.15 0.42 -1.73 113.70 121.72 3rpb s SER 547 Ca -0.15 -0.03 0.05 0.00 0.70 0.00 0.00 55.95 56.52 3rpb s SER 547 Cb -0.17 -1.39 -0.05 0.00 -1.71 0.00 0.00 66.02 62.70 3rpb s SER 547 CO 0.07 0.22 -0.08 -0.76 1.20 0.00 0.00 173.24 173.89 3rpb s LEU 548 N -2.04 2.45 0.00 3.45 1.43 0.60 0.15 118.68 124.71 3rpb s LEU 548 Ca 0.25 -1.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 3rpb s LEU 548 Cb -0.12 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.69 3rpb s LEU 548 CO 0.17 -0.35 0.00 0.80 0.23 0.00 0.00 176.35 177.20 3rpb n MET 549 N -0.32 0.00 -4.49 1.70 1.56 -0.23 0.14 117.12 115.47 3rpb n MET 549 Ca -0.08 0.00 -0.34 0.00 -0.27 0.00 0.00 57.70 57.01 3rpb n MET 549 Cb 0.62 0.00 -0.12 0.00 2.15 0.00 0.00 33.22 35.87 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 -0.38 2.99 -1.03 1.12 5.04 -1.20 0.25 117.35 124.14 3rpb s TYR 550 Ca 0.00 -0.25 -0.06 0.00 -2.44 0.00 0.00 57.07 54.32 3rpb s TYR 550 Cb 0.00 -1.88 0.26 0.00 0.35 0.00 0.00 41.96 40.68 3rpb s TYR 550 CO 0.00 0.05 1.00 0.45 -1.34 0.00 0.00 175.55 175.71 3rpb n SER 551 N 3.19 5.03 -0.32 4.32 2.88 0.35 -3.08 113.62 125.99 3rpb n SER 551 Ca -0.18 -3.09 0.19 0.00 -1.33 0.00 0.00 58.87 54.46 3rpb n SER 551 Cb 0.53 -1.24 0.40 0.00 -0.75 0.00 0.00 64.21 63.14 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 3.78 0.36 -0.69 2.46 1.35 -1.95 0.69 112.91 118.91 3rpb h THR 552 Ca 0.17 -0.12 0.14 0.00 -0.55 0.00 0.00 66.41 66.06 3rpb h THR 552 Cb 0.84 -0.02 -0.10 0.00 -1.73 0.00 0.00 68.15 67.14 3rpb h THR 552 CO 0.97 0.06 0.16 -0.61 -0.25 0.00 0.00 175.52 175.85 3rpb h GLN 553 N 0.35 0.27 0.00 4.72 -0.00 -1.93 0.20 115.11 118.71 3rpb h GLN 553 Ca 0.66 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 59.29 3rpb h GLN 553 Cb 1.40 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 28.82 3rpb h GLN 553 CO -0.59 0.18 -0.45 1.96 0.00 0.00 0.00 178.83 179.93 3rpb h GLN 554 N 0.27 0.00 -1.87 1.69 1.08 -0.35 -3.48 115.11 112.45 3rpb h GLN 554 Ca 0.38 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.50 3rpb h GLN 554 Cb 0.61 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.07 3rpb h GLN 554 CO -0.47 0.00 -0.13 0.41 -0.95 0.00 0.00 178.83 177.69 3rpb n GLY 555 N 1.16 0.64 3.68 3.46 0.00 0.18 -5.05 105.19 109.27 3rpb n GLY 555 Ca 0.02 -0.51 -0.08 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.05 0.06 0.39 -0.02 0.00 -1.16 -4.13 107.32 99.41 3rpb s GLY 556 Ca 0.11 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.42 3rpb s GLY 556 CO 0.13 -0.27 0.60 -2.27 0.00 0.00 0.00 173.10 171.30 3rpb s LEU 557 N -2.93 3.87 -0.12 0.66 2.96 -0.55 -0.49 118.68 122.07 3rpb s LEU 557 Ca 0.13 0.41 -0.01 0.00 -0.22 0.00 0.00 54.13 54.45 3rpb s LEU 557 Cb -0.03 -3.29 0.03 0.00 0.50 0.00 0.00 46.19 43.40 3rpb s LEU 557 CO 0.04 -0.45 -0.07 -0.63 -1.32 0.00 0.00 176.35 173.93 3rpb s ILE 558 N -2.42 0.99 -0.24 6.68 -1.09 0.70 0.17 121.20 125.99 3rpb s ILE 558 Ca 0.43 -0.31 -0.07 0.00 -2.23 0.00 0.00 60.65 58.48 3rpb s ILE 558 Cb -0.10 -1.04 -0.03 0.00 -1.58 0.00 0.00 42.46 39.71 3rpb s ILE 558 CO 0.37 0.32 0.05 -0.69 -1.23 0.00 0.00 174.94 173.76 3rpb s VAL 559 N 1.72 4.17 -0.37 2.92 1.01 -1.06 -1.07 120.40 127.73 3rpb s VAL 559 Ca 0.04 -0.22 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 3rpb s VAL 559 Cb -0.13 -2.94 0.04 0.00 0.00 0.00 0.00 36.38 33.34 3rpb s VAL 559 CO -0.08 0.36 0.18 -0.83 0.00 0.00 0.00 175.10 174.73 3rpb s GLY 560 N 1.54 1.90 -0.72 4.51 0.00 0.40 0.26 107.32 115.21 3rpb s GLY 560 Ca 0.06 -1.77 -0.22 0.00 0.00 0.00 0.00 44.72 42.79 3rpb s GLY 560 CO 0.03 0.83 1.01 -0.42 0.00 0.00 0.00 173.10 174.55 3rpb s ILE 561 N 1.49 4.37 0.00 0.90 -1.09 0.53 0.16 121.20 127.56 3rpb s ILE 561 Ca 0.01 -0.56 0.00 0.00 -2.23 0.00 0.00 60.65 57.86 3rpb s ILE 561 Cb -0.20 -4.72 0.00 0.00 -1.58 0.00 0.00 42.46 35.97 3rpb s ILE 561 CO 0.05 -1.49 0.13 -0.38 -1.23 0.00 0.00 174.94 172.02 3rpb n ILE 562 N 5.89 0.00 -3.88 2.92 -0.00 -0.72 0.26 119.36 123.84 3rpb n ILE 562 Ca 0.02 0.32 -0.08 0.00 -0.00 0.00 0.00 62.75 63.02 3rpb n ILE 562 Cb 0.46 -0.69 -0.02 0.00 -0.00 0.00 0.00 39.64 39.39 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 -0.46 1.79 0.19 0.38 1.70 -1.22 0.27 118.95 121.60 3rpb s ARG 563 Ca 0.00 -1.07 0.06 0.00 -0.47 0.00 0.00 55.73 54.25 3rpb s ARG 563 Cb 0.00 0.59 -0.05 0.00 -0.57 0.00 0.00 34.95 34.92 3rpb s ARG 563 CO 0.00 -0.81 -0.12 0.00 -1.08 0.00 0.00 175.30 173.29 3rpb s VAL 565 N -3.12 0.06 -1.24 0.00 -7.23 0.32 -3.38 120.40 105.81 3rpb s VAL 565 Ca 0.21 -0.51 -0.06 0.00 -1.81 0.00 0.00 61.98 59.81 3rpb s VAL 565 Cb 0.01 -0.59 0.01 0.00 0.56 0.00 0.00 36.38 36.37 3rpb s VAL 565 CO 0.05 -0.28 1.07 1.41 -0.31 0.00 0.00 175.10 177.04 3rpb n HIS 566 N 1.29 -2.54 -2.01 2.82 8.25 -1.20 0.11 115.22 121.94 3rpb n HIS 566 Ca -0.22 0.95 -0.30 0.00 -0.26 0.00 0.00 57.72 57.89 3rpb n HIS 566 Cb 0.56 -4.89 0.03 0.00 1.12 0.00 0.00 29.99 26.81 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 -6.73 3.11 0.65 2.41 1.43 -0.75 -0.37 118.68 118.42 3rpb s LEU 567 Ca 0.37 1.14 -0.10 0.00 -1.03 0.00 0.00 54.13 54.52 3rpb s LEU 567 Cb -0.16 -4.04 -0.00 0.00 0.03 0.00 0.00 46.19 42.02 3rpb s LEU 567 CO 0.70 -1.09 1.03 0.00 0.23 0.00 0.00 176.35 177.21 3rpb s ALA 568 N -3.20 3.05 -0.21 4.21 0.00 -1.26 -4.73 121.76 119.62 3rpb s ALA 568 Ca 0.56 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 52.14 3rpb s ALA 568 Cb -0.11 -2.93 0.01 0.00 0.00 0.00 0.00 23.12 20.10 3rpb s ALA 568 CO 0.51 -0.93 -0.12 0.00 0.00 0.00 0.00 175.76 175.23 3rpb s ALA 569 N -3.21 2.57 -0.30 0.00 0.00 -1.26 -4.25 121.76 115.32 3rpb s ALA 569 Ca 0.56 -1.28 0.21 0.00 0.00 0.00 0.00 51.96 51.45 3rpb s ALA 569 Cb -0.11 -1.48 0.14 0.00 0.00 0.00 0.00 23.12 21.67 3rpb s ALA 569 CO 0.50 -0.52 1.32 0.52 0.00 0.00 0.00 175.76 177.59 3rpb h MET 570 N 8.00 0.00 -6.67 0.00 2.86 -1.70 -3.45 114.93 113.97 3rpb h MET 570 Ca -0.40 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 56.75 3rpb h MET 570 Cb 1.13 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.81 3rpb h MET 570 CO 0.61 0.10 -0.07 -0.51 1.06 0.00 0.00 176.91 178.10 3rpb s ASP 571 N -5.93 6.31 0.00 1.22 1.11 -1.09 -4.97 116.67 113.33 3rpb s ASP 571 Ca 0.03 0.67 0.22 0.00 0.18 0.00 0.00 52.55 53.65 3rpb s ASP 571 Cb 0.07 -2.13 1.25 0.00 1.07 0.00 0.00 42.92 43.18 3rpb s ASP 571 CO 0.73 -0.38 1.68 0.00 1.18 0.00 0.00 175.17 178.38 3rpb n ALA 572 N -1.81 2.26 0.80 5.23 0.00 -1.26 -2.43 120.51 123.30 3rpb n ALA 572 Ca -0.02 -0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.42 3rpb n ALA 572 Cb 0.55 -1.35 0.38 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.07 0.49 0.00 0.00 4.13 -1.26 -4.92 115.26 112.64 3rpb n ASN 573 Ca 0.15 0.28 0.00 0.00 1.68 0.00 0.00 54.58 56.69 3rpb n ASN 573 Cb 0.10 -0.27 0.00 0.00 -1.54 0.00 0.00 39.78 38.07 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 1.41 0.74 0.00 7.41 0.00 -1.02 -5.06 105.19 108.67 3rpb n GLY 574 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.11 0.00 -3.83 1.61 4.02 -1.26 -4.51 117.16 111.08 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 0.01 0.00 -0.02 0.00 0.00 39.34 39.33 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 -0.88 -0.02 -0.54 7.72 0.01 -1.25 -1.76 113.70 116.98 3rpb s SER 576 Ca 0.00 -1.05 0.05 0.00 1.31 0.00 0.00 55.95 56.26 3rpb s SER 576 Cb 0.00 0.82 0.36 0.00 0.21 0.00 0.00 66.02 67.41 3rpb s SER 576 CO 0.00 -1.61 1.00 0.47 0.41 0.00 0.00 173.24 173.51 3rpb n ASP 577 N -1.21 4.57 -4.76 2.44 9.92 -1.26 0.20 116.55 126.45 3rpb n ASP 577 Ca -0.07 -3.70 -0.41 0.00 -0.53 0.00 0.00 54.79 50.08 3rpb n ASP 577 Cb 0.60 -0.53 -0.02 0.00 -0.64 0.00 0.00 41.12 40.53 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 -3.50 4.26 0.11 -0.24 0.04 -1.25 0.21 135.00 134.63 3rpb s PRO 578 Ca 0.49 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.87 3rpb s PRO 578 Cb 0.31 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 3rpb s PRO 578 CO -0.15 -0.35 -0.01 -0.59 0.04 0.00 0.00 177.00 175.93 3rpb s PHE 579 N -0.79 0.87 -0.14 0.56 -0.71 0.44 -2.53 117.98 115.67 3rpb s PHE 579 Ca 0.53 -1.06 -0.01 0.00 -1.04 0.00 0.00 56.93 55.35 3rpb s PHE 579 Cb -0.42 -0.52 -0.02 0.00 -1.21 0.00 0.00 43.02 40.85 3rpb s PHE 579 CO 0.53 -0.32 -0.12 0.08 -1.34 0.00 0.00 175.22 174.05 3rpb s VAL 580 N -3.82 3.15 -0.14 -2.49 1.01 -1.26 -0.84 120.40 116.01 3rpb s VAL 580 Ca 0.17 -0.62 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 3rpb s VAL 580 Cb 0.07 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 3rpb s VAL 580 CO -0.02 0.52 -0.08 -0.54 0.00 0.00 0.00 175.10 174.97 3rpb s LYS 581 N 0.43 3.52 -0.05 2.72 1.02 0.31 0.21 119.74 127.91 3rpb s LYS 581 Ca -0.09 -0.60 0.06 0.00 0.02 0.00 0.00 55.97 55.36 3rpb s LYS 581 Cb -0.16 -2.77 -0.01 0.00 -0.52 0.00 0.00 37.83 34.38 3rpb s LYS 581 CO 0.05 0.23 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.97 3rpb s LEU 582 N 0.34 2.03 -0.08 3.17 1.02 -0.77 -0.53 118.68 123.86 3rpb s LEU 582 Ca -0.08 -0.46 -0.03 0.00 0.02 0.00 0.00 54.13 53.59 3rpb s LEU 582 Cb -0.15 -1.25 0.05 0.00 0.02 0.00 0.00 46.19 44.86 3rpb s LEU 582 CO 0.04 0.23 0.14 0.86 0.02 0.00 0.00 176.35 177.65 3rpb s TRP 583 N -0.21 -0.13 -0.43 0.29 -0.00 -1.10 0.12 118.94 117.48 3rpb s TRP 583 Ca -0.01 0.51 -0.21 0.00 -0.00 0.00 0.00 56.10 56.39 3rpb s TRP 583 Cb -0.12 -0.31 0.02 0.00 -0.00 0.00 0.00 33.47 33.05 3rpb s TRP 583 CO 0.02 -0.28 0.68 -1.17 -0.00 0.00 0.00 176.95 176.21 3rpb s LEU 584 N 2.27 4.39 0.39 5.86 2.96 -1.21 -1.45 118.68 131.88 3rpb s LEU 584 Ca 0.04 -0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 53.71 3rpb s LEU 584 Cb -0.12 -2.81 -0.04 0.00 0.50 0.00 0.00 46.19 43.72 3rpb s LEU 584 CO -0.06 -0.79 0.67 -0.54 -1.32 0.00 0.00 176.35 174.32 3rpb s LYS 585 N 2.94 3.59 -0.48 1.98 1.02 -0.08 -3.28 119.74 125.43 3rpb s LYS 585 Ca 0.25 0.07 -0.22 0.00 0.02 0.00 0.00 55.97 56.10 3rpb s LYS 585 Cb -0.14 -2.51 0.03 0.00 -0.52 0.00 0.00 37.83 34.70 3rpb s LYS 585 CO 0.19 0.00 0.75 -1.25 -0.92 0.00 0.00 175.35 174.13 3rpb s PRO 586 N -4.22 3.30 0.00 -1.68 0.04 -1.26 -1.28 135.00 129.90 3rpb s PRO 586 Ca 0.45 -0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.14 3rpb s PRO 586 Cb -0.10 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.44 3rpb s PRO 586 CO 0.37 -1.19 0.00 -0.40 0.04 0.00 0.00 177.00 175.82 3rpb n ASP 587 N 6.67 0.00 -0.04 6.66 5.75 -1.21 -4.83 116.55 129.54 3rpb n ASP 587 Ca -0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.75 3rpb n ASP 587 Cb 0.47 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.47 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 0.00 1.62 -0.00 0.11 0.00 -1.26 -4.63 117.12 112.96 3rpb n MET 588 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 57.70 57.70 3rpb n MET 588 Cb 0.00 -1.30 -0.04 0.00 0.00 0.00 0.00 33.22 31.87 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 2.14 0.23 2.77 3.17 0.00 -1.26 -5.00 105.19 107.23 3rpb n GLY 589 Ca -0.15 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.27 0.00 -0.11 1.61 5.02 -1.26 -4.73 118.16 117.43 3rpb n LYS 590 Ca 0.01 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.33 3rpb n LYS 590 Cb 0.12 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.22 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 0.00 1.49 0.26 1.97 4.76 -1.26 -4.04 118.16 121.34 3rpb n LYS 591 Ca 0.00 -0.69 0.18 0.00 -2.87 0.00 0.00 58.31 54.93 3rpb n LYS 591 Cb 0.00 -1.20 0.91 0.00 -1.84 0.00 0.00 35.03 32.90 3rpb n LYS 591 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3rpb h ALA 592 N 3.26 1.57 -2.45 7.82 0.00 -1.89 -3.42 119.26 124.15 3rpb h ALA 592 Ca 0.00 -0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3rpb h ALA 592 Cb 0.32 0.01 0.11 0.00 0.00 0.00 0.00 17.79 18.22 3rpb h ALA 592 CO 0.01 -0.20 0.37 0.15 0.00 0.00 0.00 179.25 179.58 3rpb s LYS 593 N -4.49 2.74 0.27 0.00 -0.14 -1.25 -3.35 119.74 113.52 3rpb s LYS 593 Ca -0.05 1.38 -0.17 0.00 -1.36 0.00 0.00 55.97 55.77 3rpb s LYS 593 Cb 0.14 -1.94 0.01 0.00 -1.68 0.00 0.00 37.83 34.36 3rpb s LYS 593 CO 0.49 -1.29 0.62 -1.01 -0.76 0.00 0.00 175.35 173.40 3rpb s HIS 594 N -2.38 0.05 -0.30 3.18 3.76 0.32 -4.88 115.29 115.04 3rpb s HIS 594 Ca 0.67 -0.47 -0.10 0.00 -0.15 0.00 0.00 55.06 55.01 3rpb s HIS 594 Cb -0.20 0.50 0.14 0.00 1.11 0.00 0.00 32.58 34.12 3rpb s HIS 594 CO 0.43 -1.15 0.68 -1.59 -0.85 0.00 0.00 174.74 172.26 3rpb s LYS 595 N -3.93 0.55 1.18 1.40 0.00 -1.24 -1.84 119.74 115.85 3rpb s LYS 595 Ca 0.16 1.34 -0.18 0.00 0.00 0.00 0.00 55.97 57.29 3rpb s LYS 595 Cb -0.04 0.80 0.27 0.00 0.00 0.00 0.00 37.83 38.87 3rpb s LYS 595 CO 0.08 -0.23 1.10 0.95 0.00 0.00 0.00 175.35 177.25 3rpb s THR 596 N 2.85 1.66 0.52 3.79 -4.23 0.56 -4.91 115.64 115.89 3rpb s THR 596 Ca -0.03 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.26 3rpb s THR 596 Cb -0.12 -2.48 -0.05 0.00 1.34 0.00 0.00 72.50 71.19 3rpb s THR 596 CO -0.19 0.00 1.30 -1.10 -0.54 0.00 0.00 174.62 174.09 3rpb s GLN 597 N -5.33 3.31 -0.15 3.99 -0.21 -1.26 -4.47 119.66 115.54 3rpb s GLN 597 Ca 0.70 2.09 -0.29 0.00 0.02 0.00 0.00 55.36 57.87 3rpb s GLN 597 Cb -0.11 -2.29 -0.01 0.00 1.00 0.00 0.00 33.01 31.60 3rpb s GLN 597 CO 0.56 -1.01 1.10 0.42 -2.12 0.00 0.00 175.29 174.24 3rpb s ILE 598 N -1.38 4.56 -1.18 1.08 -1.09 -1.26 -4.62 121.20 117.31 3rpb s ILE 598 Ca 0.70 1.87 -0.04 0.00 -2.23 0.00 0.00 60.65 60.94 3rpb s ILE 598 Cb -0.37 -4.20 0.22 0.00 -1.58 0.00 0.00 42.46 36.53 3rpb s ILE 598 CO 0.43 -0.09 2.00 0.29 -1.23 0.00 0.00 174.94 176.34 3rpb n LYS 599 N 5.78 4.76 -0.98 2.79 4.76 -1.05 -5.02 118.16 129.21 3rpb n LYS 599 Ca 0.11 -4.05 -0.32 0.00 -2.87 0.00 0.00 58.31 51.18 3rpb n LYS 599 Cb 0.47 -2.59 -0.00 0.00 -1.84 0.00 0.00 35.03 31.06 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 1.31 0.00 -3.01 1.97 4.76 -1.26 -3.38 118.16 118.54 3rpb n LYS 600 Ca 0.49 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.61 3rpb n LYS 600 Cb 0.28 -0.75 0.03 0.00 -1.84 0.00 0.00 35.03 32.75 3rpb n LYS 600 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 3rpb n LYS 601 N 0.99 -1.54 0.00 1.97 0.00 -0.65 -4.85 118.16 114.07 3rpb n LYS 601 Ca 0.09 1.13 0.00 0.00 -0.00 0.00 0.00 58.31 59.53 3rpb n LYS 601 Cb 0.29 -1.59 0.00 0.00 -0.00 0.00 0.00 35.03 33.73 3rpb n LYS 601 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 3rpb n THR 602 N -0.15 0.00 0.09 0.58 5.66 0.52 -4.84 114.28 116.14 3rpb n THR 602 Ca -0.07 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 60.94 3rpb n THR 602 Cb 0.55 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.32 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 0.09 -2.69 1.09 4.77 -1.26 -3.82 117.00 115.18 3rpb n LEU 603 Ca 0.00 -0.39 -0.16 0.00 -0.03 0.00 0.00 56.01 55.43 3rpb n LEU 603 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3rpb n LEU 603 CO 0.00 0.02 -0.03 0.59 -1.33 0.00 0.00 177.39 176.64 3rpb n ASN 604 N -1.18 2.42 -4.17 -1.43 3.02 -1.26 -1.82 115.26 110.85 3rpb n ASN 604 Ca 0.00 -3.07 -0.30 0.00 -0.03 0.00 0.00 54.58 51.18 3rpb n ASN 604 Cb 0.04 -0.52 0.18 0.00 -0.61 0.00 0.00 39.78 38.87 3rpb n ASN 604 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3rpb s PRO 605 N -3.17 0.53 -0.21 3.52 0.04 -1.22 -4.82 135.00 129.67 3rpb s PRO 605 Ca 0.35 -0.31 0.01 0.00 0.04 0.00 0.00 61.00 61.09 3rpb s PRO 605 Cb 0.42 -1.82 0.05 0.00 0.04 0.00 0.00 34.50 33.19 3rpb s PRO 605 CO -0.05 -2.50 -0.07 -2.00 0.04 0.00 0.00 177.00 172.42 3rpb s GLU 606 N -5.79 1.76 -0.11 4.56 2.12 -1.26 -2.12 118.70 117.86 3rpb s GLU 606 Ca 0.72 -0.87 -0.06 0.00 0.36 0.00 0.00 54.97 55.13 3rpb s GLU 606 Cb -0.05 -2.44 -0.05 0.00 0.26 0.00 0.00 34.13 31.85 3rpb s GLU 606 CO 0.53 -0.51 0.15 0.74 -0.54 0.00 0.00 175.26 175.64 3rpb h PHE 607 N 7.98 -0.00 -6.11 5.30 0.04 0.35 -3.47 116.94 121.02 3rpb h PHE 607 Ca -0.23 -0.00 -0.43 0.00 2.80 0.00 0.00 57.97 60.12 3rpb h PHE 607 Cb 1.09 0.00 0.04 0.00 2.20 0.00 0.00 35.95 39.28 3rpb h PHE 607 CO 0.50 0.19 -0.81 -1.71 -0.60 0.00 0.00 178.31 175.88 3rpb n ASN 608 N -4.75 -2.21 -4.64 2.17 2.85 0.73 -4.90 115.26 104.51 3rpb n ASN 608 Ca -0.02 -0.79 -0.35 0.00 -0.11 0.00 0.00 54.58 53.31 3rpb n ASN 608 Cb 0.09 -4.09 -0.10 0.00 1.24 0.00 0.00 39.78 36.92 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 -6.12 3.28 -0.38 1.20 0.41 0.43 -4.90 118.70 112.63 3rpb s GLU 609 Ca 0.18 -0.42 -0.09 0.00 -0.41 0.00 0.00 54.97 54.23 3rpb s GLU 609 Cb -0.09 -2.88 0.05 0.00 -1.78 0.00 0.00 34.13 29.43 3rpb s GLU 609 CO 0.81 0.54 0.19 -1.21 -0.49 0.00 0.00 175.26 175.10 3rpb s GLU 610 N -0.43 2.67 0.65 1.61 0.41 -1.26 0.20 118.70 122.55 3rpb s GLU 610 Ca 0.08 -1.24 -0.02 0.00 -0.41 0.00 0.00 54.97 53.38 3rpb s GLU 610 Cb -0.12 -3.65 0.07 0.00 -1.78 0.00 0.00 34.13 28.64 3rpb s GLU 610 CO 0.02 -0.77 0.92 -0.06 -0.49 0.00 0.00 175.26 174.88 3rpb s PHE 611 N 1.46 2.54 -0.10 1.61 0.40 0.71 -4.92 117.98 119.69 3rpb s PHE 611 Ca 0.01 0.07 -0.04 0.00 -0.60 0.00 0.00 56.93 56.38 3rpb s PHE 611 Cb -0.20 -2.99 0.05 0.00 0.51 0.00 0.00 43.02 40.38 3rpb s PHE 611 CO 0.04 -1.29 0.20 0.12 0.70 0.00 0.00 175.22 174.98 3rpb s PHE 612 N -3.03 -0.26 0.07 0.36 5.36 -1.26 -2.56 117.98 116.66 3rpb s PHE 612 Ca 0.61 0.71 0.02 0.00 -0.96 0.00 0.00 56.93 57.32 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 0.42 -0.27 0.10 0.71 -1.46 0.00 0.00 175.22 174.72 3rpb s TYR 613 N 2.03 3.25 -0.77 10.12 1.51 0.45 -4.93 117.35 129.02 3rpb s TYR 613 Ca -0.01 0.12 -0.00 0.00 -1.01 0.00 0.00 57.07 56.16 3rpb s TYR 613 Cb -0.12 -1.65 0.36 0.00 -0.11 0.00 0.00 41.96 40.44 3rpb s TYR 613 CO -0.07 0.54 1.78 -0.40 -1.11 0.00 0.00 175.55 176.29 3rpb n ASP 614 N 0.47 6.82 -4.47 2.29 5.75 -1.26 -1.49 116.55 124.67 3rpb n ASP 614 Ca -0.08 -3.80 -0.32 0.00 -0.01 0.00 0.00 54.79 50.59 3rpb n ASP 614 Cb 0.52 -0.93 -0.13 0.00 -1.03 0.00 0.00 41.12 39.55 3rpb n ASP 614 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 3rpb s ILE 615 N -5.10 2.92 0.27 2.12 1.10 -1.26 -4.98 121.20 116.28 3rpb s ILE 615 Ca 0.50 -0.96 -0.29 0.00 -0.51 0.00 0.00 60.65 59.39 3rpb s ILE 615 Cb 0.40 -2.18 -0.09 0.00 0.15 0.00 0.00 42.46 40.74 3rpb s ILE 615 CO -0.34 0.46 1.15 -0.54 -2.11 0.00 0.00 174.94 173.57 3rpb s LYS 616 N -1.09 4.56 0.23 3.50 1.02 -1.26 -3.87 119.74 122.83 3rpb s LYS 616 Ca 0.13 1.89 -0.08 0.00 0.02 0.00 0.00 55.97 57.94 3rpb s LYS 616 Cb -0.11 -3.17 0.37 0.00 -0.52 0.00 0.00 37.83 34.40 3rpb s LYS 616 CO 0.03 0.09 1.67 1.25 -0.92 0.00 0.00 175.35 177.47 3rpb h HIS 617 N 3.95 0.09 0.00 3.18 -0.00 -1.94 0.75 115.15 121.17 3rpb h HIS 617 Ca -0.47 0.05 0.00 0.00 -0.00 0.00 0.00 60.37 59.95 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 0.59 -0.14 0.02 0.43 -0.00 0.00 0.00 177.93 178.83 3rpb n SER 618 N -5.23 0.39 -0.06 3.26 7.64 -1.26 -1.63 113.62 116.73 3rpb n SER 618 Ca 0.11 0.68 -0.06 0.00 1.01 0.00 0.00 58.87 60.61 3rpb n SER 618 Cb 0.40 -0.72 -0.09 0.00 -1.01 0.00 0.00 64.21 62.79 3rpb n SER 618 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3rpb n ASP 619 N -2.03 2.14 -0.14 6.43 8.00 0.21 -4.70 116.55 126.47 3rpb n ASP 619 Ca -0.01 -0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.45 3rpb n ASP 619 Cb 0.04 0.77 -0.03 0.00 -0.02 0.00 0.00 41.12 41.88 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 -2.44 -0.34 -0.36 0.64 4.77 0.13 -0.23 117.00 119.17 3rpb n LEU 620 Ca -0.19 1.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.77 3rpb n LEU 620 Cb 0.88 -0.29 0.01 0.00 -2.33 0.00 0.00 43.42 41.69 3rpb n LEU 620 CO 0.24 -0.68 0.51 0.00 -1.33 0.00 0.00 177.39 176.14 3rpb n ALA 621 N -3.04 -0.20 0.25 -1.18 0.00 -1.25 0.28 120.51 115.35 3rpb n ALA 621 Ca 0.01 0.88 0.14 0.00 0.00 0.00 0.00 53.44 54.47 3rpb n ALA 621 Cb 0.08 -0.35 0.71 0.00 0.00 0.00 0.00 19.45 19.89 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 0.00 0.00 1.57 -0.90 -2.93 116.57 114.31 3rpb h LYS 622 Ca 0.28 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.72 3rpb h LYS 622 Cb 0.51 0.00 0.17 0.00 0.08 0.00 0.00 32.23 32.99 3rpb h LYS 622 CO -0.89 0.00 0.10 1.63 -0.57 0.00 0.00 179.45 179.72 3rpb n LYS 623 N -2.48 -2.89 -3.19 3.15 4.76 0.78 -4.73 118.16 113.57 3rpb n LYS 623 Ca -0.01 -1.53 0.01 0.00 -2.87 0.00 0.00 58.31 53.91 3rpb n LYS 623 Cb 0.09 -1.43 -0.02 0.00 -1.84 0.00 0.00 35.03 31.83 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 -4.08 -1.13 -0.16 4.39 1.04 -0.41 -3.80 113.70 109.55 3rpb s SER 624 Ca 0.62 0.27 -0.28 0.00 0.48 0.00 0.00 55.95 57.04 3rpb s SER 624 Cb -0.06 1.86 -0.01 0.00 0.10 0.00 0.00 66.02 67.92 3rpb s SER 624 CO 0.48 -0.30 0.98 -0.22 0.98 0.00 0.00 173.24 175.16 3rpb s LEU 625 N 2.77 4.18 -0.56 2.42 2.96 0.40 -0.90 118.68 129.96 3rpb s LEU 625 Ca 0.13 1.41 -0.06 0.00 -0.22 0.00 0.00 54.13 55.38 3rpb s LEU 625 Cb -0.12 -3.48 0.14 0.00 0.50 0.00 0.00 46.19 43.23 3rpb s LEU 625 CO -0.25 -0.51 0.40 -0.62 -1.32 0.00 0.00 176.35 174.05 3rpb s ASP 626 N 1.15 5.58 -0.54 3.68 2.15 -0.53 0.26 116.67 128.41 3rpb s ASP 626 Ca 0.45 -2.36 -0.21 0.00 0.43 0.00 0.00 52.55 50.85 3rpb s ASP 626 Cb -0.17 -1.94 0.06 0.00 -0.30 0.00 0.00 42.92 40.56 3rpb s ASP 626 CO 0.13 -0.54 0.77 -0.63 -0.17 0.00 0.00 175.17 174.73 3rpb s ILE 627 N 0.67 4.66 0.05 4.11 1.09 -0.25 -2.71 121.20 128.82 3rpb s ILE 627 Ca 0.12 -0.23 0.08 0.00 -1.10 0.00 0.00 60.65 59.52 3rpb s ILE 627 Cb -0.22 -4.42 -0.03 0.00 -1.06 0.00 0.00 42.46 36.73 3rpb s ILE 627 CO -0.03 -0.98 -0.23 -0.44 -0.10 0.00 0.00 174.94 173.16 3rpb s SER 628 N 2.86 3.46 -0.17 3.58 0.01 0.31 0.42 113.70 124.18 3rpb s SER 628 Ca 0.21 -0.53 -0.03 0.00 1.31 0.00 0.00 55.95 56.92 3rpb s SER 628 Cb -0.17 -0.43 -0.02 0.00 0.21 0.00 0.00 66.02 65.61 3rpb s SER 628 CO 0.14 0.25 -0.07 -0.69 0.41 0.00 0.00 173.24 173.28 3rpb s VAL 629 N -0.87 3.46 0.08 3.43 1.01 0.46 0.12 120.40 128.08 3rpb s VAL 629 Ca 0.13 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 61.70 3rpb s VAL 629 Cb -0.10 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 3rpb s VAL 629 CO 0.04 0.48 -0.25 0.26 0.00 0.00 0.00 175.10 175.63 3rpb s TRP 630 N 0.69 2.13 -0.36 5.22 0.52 -0.02 -1.07 118.94 126.04 3rpb s TRP 630 Ca -0.04 -0.40 -0.26 0.00 0.02 0.00 0.00 56.10 55.43 3rpb s TRP 630 Cb -0.15 -1.22 0.01 0.00 -1.15 0.00 0.00 33.47 30.97 3rpb s TRP 630 CO 0.02 0.20 0.91 0.34 0.02 0.00 0.00 176.95 178.44 3rpb s ASP 631 N -1.59 6.68 0.73 2.95 -1.08 0.71 -0.42 116.67 124.64 3rpb s ASP 631 Ca 0.11 0.59 -0.11 0.00 -0.52 0.00 0.00 52.55 52.62 3rpb s ASP 631 Cb -0.10 -2.46 0.03 0.00 -1.46 0.00 0.00 42.92 38.93 3rpb s ASP 631 CO 0.04 -0.83 1.07 -0.47 0.52 0.00 0.00 175.17 175.50 3rpb s TYR 632 N 3.41 3.06 -0.29 -5.34 6.14 0.56 -0.77 117.35 124.12 3rpb s TYR 632 Ca 0.37 1.28 -0.13 0.00 0.64 0.00 0.00 57.07 59.23 3rpb s TYR 632 Cb -0.12 -2.97 0.11 0.00 0.42 0.00 0.00 41.96 39.39 3rpb s TYR 632 CO 0.18 -1.39 0.69 -0.51 0.64 0.00 0.00 175.55 175.16 3rpb s ASP 633 N -3.91 -1.02 0.06 4.32 1.01 -1.25 -4.01 116.67 111.87 3rpb s ASP 633 Ca 0.59 1.51 -0.27 0.00 0.71 0.00 0.00 52.55 55.09 3rpb s ASP 633 Cb -0.14 1.82 -0.05 0.00 1.01 0.00 0.00 42.92 45.56 3rpb s ASP 633 CO 0.54 -0.22 0.85 0.27 0.21 0.00 0.00 175.17 176.82 3rpb s ILE 634 N 2.23 4.67 0.00 0.77 -0.00 -1.26 -3.57 121.20 124.04 3rpb s ILE 634 Ca -0.08 1.82 0.00 0.00 -0.00 0.00 0.00 60.65 62.39 3rpb s ILE 634 Cb -0.08 -4.20 0.00 0.00 -0.00 0.00 0.00 42.46 38.17 3rpb s ILE 634 CO -0.19 0.33 0.00 0.61 -0.00 0.00 0.00 174.94 175.68 3rpb n GLY 635 N 2.40 2.87 0.00 6.27 0.00 -1.26 -4.98 105.19 110.49 3rpb n GLY 635 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.63 0.00 1.61 5.02 -1.23 -5.17 118.16 117.01 3rpb n LYS 636 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3rpb n LYS 636 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3rpb n LYS 636 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3rpb n SER 637 N -1.63 -0.02 -1.72 4.39 7.64 -1.26 -4.75 113.62 116.27 3rpb n SER 637 Ca 0.00 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 59.09 3rpb n SER 637 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3rpb n SER 637 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3rpb n ASN 638 N -2.39 0.72 -3.72 6.43 5.03 -1.26 -3.94 115.26 116.13 3rpb n ASN 638 Ca 0.00 -0.86 -0.13 0.00 0.87 0.00 0.00 54.58 54.45 3rpb n ASN 638 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 38.67 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 -0.90 -0.45 -0.29 6.41 1.11 0.05 -4.95 116.67 117.65 3rpb s ASP 639 Ca 0.00 0.82 -0.24 0.00 0.18 0.00 0.00 52.55 53.31 3rpb s ASP 639 Cb 0.00 0.85 -0.00 0.00 1.07 0.00 0.00 42.92 44.84 3rpb s ASP 639 CO 0.00 -0.20 0.82 -0.47 1.18 0.00 0.00 175.17 176.50 3rpb s TYR 640 N 0.03 3.23 -0.17 4.23 6.14 -1.26 0.25 117.35 129.81 3rpb s TYR 640 Ca -0.02 0.95 -0.03 0.00 0.64 0.00 0.00 57.07 58.61 3rpb s TYR 640 Cb -0.03 -3.19 -0.23 0.00 0.42 0.00 0.00 41.96 38.93 3rpb s TYR 640 CO 0.01 -0.52 0.15 -0.89 0.64 0.00 0.00 175.55 174.94 3rpb n ILE 641 N 5.46 1.67 0.00 3.14 5.41 -0.24 -4.84 119.36 129.97 3rpb n ILE 641 Ca 0.05 -0.63 0.00 0.00 1.00 0.00 0.00 62.75 63.17 3rpb n ILE 641 Cb 0.48 -1.61 0.00 0.00 -0.71 0.00 0.00 39.64 37.80 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 2.09 3.54 0.22 7.39 0.00 -0.46 -4.47 105.19 113.49 3rpb n GLY 642 Ca -0.37 -1.05 -0.01 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.29 2.06 3.56 -0.02 0.00 0.17 0.17 105.19 109.84 3rpb n GLY 643 Ca 0.00 -1.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.62 1.46 -0.34 0.00 -2.07 -1.26 -1.09 119.66 112.74 3rpb s GLN 645 Ca 0.25 -1.06 -0.01 0.00 -1.82 0.00 0.00 55.36 52.71 3rpb s GLN 645 Cb -0.01 -1.66 0.12 0.00 -1.09 0.00 0.00 33.01 30.38 3rpb s GLN 645 CO 0.13 0.42 0.18 -0.51 -1.32 0.00 0.00 175.29 174.18 3rpb s LEU 646 N -1.40 1.09 -0.02 2.60 1.43 0.72 -4.84 118.68 118.24 3rpb s LEU 646 Ca 0.09 -1.90 -0.01 0.00 -1.03 0.00 0.00 54.13 51.28 3rpb s LEU 646 Cb -0.09 -0.47 0.02 0.00 0.03 0.00 0.00 46.19 45.67 3rpb s LEU 646 CO 0.03 -0.36 0.06 -0.83 0.23 0.00 0.00 176.35 175.48 3rpb s GLY 647 N 1.38 -0.00 0.62 -3.19 0.00 -1.26 0.15 107.32 105.01 3rpb s GLY 647 Ca 0.14 0.25 0.24 0.00 0.00 0.00 0.00 44.72 45.36 3rpb s GLY 647 CO -0.13 0.37 1.73 1.19 0.00 0.00 0.00 173.10 176.26 3rpb h ILE 648 N 5.50 0.00 0.00 0.90 2.10 -1.61 0.98 117.51 125.37 3rpb h ILE 648 Ca -0.32 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.62 3rpb h ILE 648 Cb 1.18 0.54 0.00 0.00 -1.09 0.00 0.00 36.82 37.45 3rpb h ILE 648 CO 0.47 0.00 0.00 -0.24 -1.08 0.00 0.00 178.15 177.30 3rpb n SER 649 N -2.73 0.00 -2.17 2.19 2.88 -1.26 -4.76 113.62 107.77 3rpb n SER 649 Ca -0.02 -0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.29 3rpb n SER 649 Cb 0.44 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 3rpb n SER 649 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3rpb n ALA 650 N -1.19 0.00 -3.64 -1.46 0.00 0.34 -5.12 120.51 109.44 3rpb n ALA 650 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.47 3rpb n ALA 650 Cb 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.50 3rpb n ALA 650 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3rpb s LYS 651 N -2.16 0.62 0.00 0.00 1.02 -1.26 -4.78 119.74 113.18 3rpb s LYS 651 Ca 0.00 1.06 0.00 0.00 0.02 0.00 0.00 55.97 57.05 3rpb s LYS 651 Cb 0.00 0.11 0.00 0.00 -0.52 0.00 0.00 37.83 37.42 3rpb s LYS 651 CO 0.00 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.69 3rpb n GLY 652 N 4.13 1.29 0.13 -3.33 0.00 -1.26 -4.63 105.19 101.53 3rpb n GLY 652 Ca -0.20 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.62 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 0.61 -0.28 1.61 4.71 -1.26 -3.79 120.64 122.24 3rpb n GLU 653 Ca 0.00 0.29 0.34 0.00 -0.01 0.00 0.00 57.16 57.78 3rpb n GLU 653 Cb 0.00 -1.55 0.73 0.00 -1.01 0.00 0.00 31.44 29.61 3rpb n GLU 653 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3rpb h ARG 654 N -0.74 0.00 0.08 3.49 3.08 -1.88 0.11 114.38 118.52 3rpb h ARG 654 Ca -0.61 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.28 3rpb h ARG 654 Cb 1.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.70 3rpb h ARG 654 CO -0.30 0.00 -0.78 1.25 -1.07 0.00 0.00 179.97 179.08 3rpb h LEU 655 N 0.00 0.26 0.12 3.04 5.85 -1.81 -2.88 115.31 119.90 3rpb h LEU 655 Ca 0.53 -0.89 0.02 0.00 0.84 0.00 0.00 57.88 58.38 3rpb h LEU 655 Cb 2.24 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 43.15 3rpb h LEU 655 CO -0.01 1.35 -0.33 0.07 -0.34 0.00 0.00 178.44 179.19 3rpb h LYS 656 N -0.60 -0.53 0.82 1.25 2.10 -0.93 0.51 116.57 119.18 3rpb h LYS 656 Ca -0.16 0.04 -0.04 0.00 -2.00 0.00 0.00 60.65 58.48 3rpb h LYS 656 Cb 1.45 0.12 0.01 0.00 -0.90 0.00 0.00 32.23 32.91 3rpb h LYS 656 CO 0.05 -0.35 -0.39 1.25 -2.00 0.00 0.00 179.45 178.00 3rpb h HIS 657 N -0.55 -1.02 0.00 0.07 2.76 -1.41 -2.14 115.15 112.86 3rpb h HIS 657 Ca 0.03 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3rpb h HIS 657 Cb 0.58 0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.88 3rpb h HIS 657 CO -0.29 -0.63 0.00 1.87 -1.30 0.00 0.00 177.93 177.58 3rpb n TRP 658 N -5.56 0.00 -0.15 5.26 -0.00 -1.09 -2.50 117.44 113.42 3rpb n TRP 658 Ca -0.15 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.31 3rpb n TRP 658 Cb 0.44 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.71 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 -0.47 -0.15 -0.52 5.87 4.19 0.18 0.14 117.16 126.40 3rpb n TYR 659 Ca 0.00 0.44 0.43 0.00 3.31 0.00 0.00 57.90 62.08 3rpb n TYR 659 Cb 0.00 -0.49 0.75 0.00 0.49 0.00 0.00 39.34 40.09 3rpb n TYR 659 CO 0.00 0.00 0.00 1.05 0.91 0.00 0.00 176.86 178.82 3rpb h GLU 660 N 0.00 0.04 -0.88 2.98 4.11 -1.34 2.13 114.58 121.61 3rpb h GLU 660 Ca 0.06 -0.00 0.03 0.00 0.07 0.00 0.00 59.36 59.51 3rpb h GLU 660 Cb 0.14 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 3rpb h GLU 660 CO -0.33 0.03 0.58 0.00 0.07 0.00 0.00 179.01 179.35 3rpb h LEU 662 N 1.13 0.69 0.12 0.00 4.07 0.37 0.05 115.31 121.74 3rpb h LEU 662 Ca 0.35 -0.01 -0.16 0.00 0.08 0.00 0.00 57.88 58.14 3rpb h LEU 662 Cb -0.03 -0.16 0.02 0.00 1.08 0.00 0.00 40.66 41.57 3rpb h LEU 662 CO -0.11 0.47 -0.71 0.11 -1.08 0.00 0.00 178.44 177.13 3rpb h LYS 663 N 0.80 0.26 -2.26 1.13 1.57 -0.88 -3.34 116.57 113.85 3rpb h LYS 663 Ca 0.27 -0.45 -0.75 0.00 -1.87 0.00 0.00 60.65 57.86 3rpb h LYS 663 Cb 0.09 0.17 -0.22 0.00 0.08 0.00 0.00 32.23 32.35 3rpb h LYS 663 CO -0.08 1.21 1.30 0.09 -0.57 0.00 0.00 179.45 181.41 3rpb n ASN 664 N -4.19 7.47 0.00 0.86 3.02 0.51 -4.87 115.26 118.06 3rpb n ASN 664 Ca -0.13 -3.53 0.00 0.00 -0.03 0.00 0.00 54.58 50.88 3rpb n ASN 664 Cb 0.78 -1.20 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 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 0.38 0.00 -0.46 3.52 5.02 -0.05 -2.55 118.16 124.02 3rpb n LYS 665 Ca 0.52 0.02 0.38 0.00 -2.02 0.00 0.00 58.31 57.21 3rpb n LYS 665 Cb 0.28 -0.55 0.58 0.00 -0.02 0.00 0.00 35.03 35.32 3rpb n LYS 665 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3rpb n ASP 666 N -0.07 0.00 -4.70 4.39 8.00 -1.18 -3.23 116.55 119.76 3rpb n ASP 666 Ca 0.00 0.76 -0.42 0.00 0.71 0.00 0.00 54.79 55.84 3rpb n ASP 666 Cb 0.00 -0.35 -0.03 0.00 -0.02 0.00 0.00 41.12 40.72 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 -4.37 4.50 -0.10 -1.24 -0.14 -1.06 -4.94 119.74 112.39 3rpb s LYS 667 Ca -0.03 1.33 -0.28 0.00 -1.36 0.00 0.00 55.97 55.62 3rpb s LYS 667 Cb 0.19 -3.48 -0.02 0.00 -1.68 0.00 0.00 37.83 32.84 3rpb s LYS 667 CO 0.63 -0.12 0.95 0.21 -0.76 0.00 0.00 175.35 176.27 3rpb s LYS 668 N 1.29 4.42 0.13 1.68 2.20 -1.26 -4.56 119.74 123.64 3rpb s LYS 668 Ca 0.49 1.30 0.04 0.00 -0.36 0.00 0.00 55.97 57.44 3rpb s LYS 668 Cb -0.20 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 3rpb s LYS 668 CO 0.24 -0.26 0.10 0.42 -0.36 0.00 0.00 175.35 175.48 3rpb s ILE 669 N 1.85 4.42 -0.06 5.43 1.01 0.36 -4.90 121.20 129.32 3rpb s ILE 669 Ca 0.46 -0.97 -0.18 0.00 0.00 0.00 0.00 60.65 59.96 3rpb s ILE 669 Cb -0.18 -3.20 0.04 0.00 0.01 0.00 0.00 42.46 39.13 3rpb s ILE 669 CO 0.18 -0.00 0.40 -1.83 0.00 0.00 0.00 174.94 173.69 3rpb s GLU 670 N -2.76 0.69 -0.10 2.79 1.03 -1.26 0.22 118.70 119.31 3rpb s GLU 670 Ca 0.30 0.07 -0.30 0.00 0.03 0.00 0.00 54.97 55.07 3rpb s GLU 670 Cb -0.11 0.32 0.12 0.00 -0.80 0.00 0.00 34.13 33.66 3rpb s GLU 670 CO 0.22 -0.18 1.00 -0.98 -1.33 0.00 0.00 175.26 173.99 3rpb s ARG 671 N -0.93 0.63 -0.09 -4.83 1.04 -0.71 -4.98 118.95 109.08 3rpb s ARG 671 Ca -0.10 -0.10 -0.18 0.00 -1.04 0.00 0.00 55.73 54.31 3rpb s ARG 671 Cb -0.04 0.29 -0.05 0.00 -2.04 0.00 0.00 34.95 33.12 3rpb s ARG 671 CO 0.04 -0.25 0.47 -1.58 -0.04 0.00 0.00 175.30 173.95 3rpb s TRP 672 N -2.24 3.56 -0.13 5.89 0.52 -1.26 -1.10 118.94 124.17 3rpb s TRP 672 Ca 0.04 0.93 -0.01 0.00 0.02 0.00 0.00 56.10 57.07 3rpb s TRP 672 Cb -0.01 -2.51 -0.02 0.00 -1.15 0.00 0.00 33.47 29.78 3rpb s TRP 672 CO -0.05 0.26 -0.11 -1.01 0.02 0.00 0.00 176.95 176.06 3rpb s HIS 673 N 0.29 2.85 -0.62 -1.98 3.76 -0.71 -4.95 115.29 113.94 3rpb s HIS 673 Ca 0.26 -0.57 -0.28 0.00 -0.15 0.00 0.00 55.06 54.32 3rpb s HIS 673 Cb -0.16 -1.87 0.02 0.00 1.11 0.00 0.00 32.58 31.69 3rpb s HIS 673 CO 0.11 -0.17 1.39 1.14 -0.85 0.00 0.00 174.74 176.35 3rpb s GLN 674 N 0.35 3.24 0.05 1.40 0.00 -1.26 -1.56 119.66 121.86 3rpb s GLN 674 Ca -0.10 0.23 -0.38 0.00 -0.00 0.00 0.00 55.36 55.12 3rpb s GLN 674 Cb -0.16 -4.15 -0.18 0.00 0.00 0.00 0.00 33.01 28.53 3rpb s GLN 674 CO 0.05 -2.04 1.28 1.28 0.00 0.00 0.00 175.29 175.86 3rpb n LEU 675 N 9.66 1.21 -4.36 2.60 4.77 -0.48 -4.74 117.00 125.64 3rpb n LEU 675 Ca 0.10 1.13 -0.19 0.00 -0.03 0.00 0.00 56.01 57.02 3rpb n LEU 675 Cb 0.49 -1.11 -0.10 0.00 -2.33 0.00 0.00 43.42 40.37 3rpb n LEU 675 CO 0.71 -1.26 -0.44 -1.10 -1.33 0.00 0.00 177.39 173.97 3rpb s GLN 676 N 0.46 1.38 -0.51 3.23 -0.21 0.63 -4.56 119.66 120.08 3rpb s GLN 676 Ca 0.87 -1.62 -0.14 0.00 0.02 0.00 0.00 55.36 54.49 3rpb s GLN 676 Cb -1.05 -1.19 0.12 0.00 1.00 0.00 0.00 33.01 31.89 3rpb s GLN 676 CO 0.50 0.19 0.44 -0.80 -2.12 0.00 0.00 175.29 173.50 3rpb s ASN 677 N -3.34 6.06 0.00 5.90 -0.87 -1.26 0.42 114.94 121.84 3rpb s ASN 677 Ca 0.24 -1.73 0.00 0.00 -1.57 0.00 0.00 52.86 49.80 3rpb s ASN 677 Cb -0.01 -2.15 0.00 0.00 -0.02 0.00 0.00 41.25 39.07 3rpb s ASN 677 CO 0.08 -0.78 0.00 -0.62 -2.57 0.00 0.00 177.10 173.21 3rpb n GLU 678 N 5.16 0.00 0.00 -0.60 -0.58 -1.26 -4.40 120.64 118.95 3rpb n GLU 678 Ca -0.12 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.73 3rpb n GLU 678 Cb 0.41 -0.46 0.02 0.00 -0.57 0.00 0.00 31.44 30.84 3rpb n GLU 678 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 3rpb n ASN 679 N 0.00 1.33 0.00 1.62 6.94 -1.26 -5.21 115.26 118.68 3rpb n ASN 679 Ca 0.00 -1.09 0.00 0.00 -0.02 0.00 0.00 54.58 53.47 3rpb n ASN 679 Cb 0.00 0.62 0.00 0.00 -2.36 0.00 0.00 39.78 38.04 3rpb n ASN 679 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64