#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 0.88 2.89 -0.13 0.00 0.03 -3.43 105.19 105.43 3rpb n GLY 542 Ca 0.00 -2.21 -0.14 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.16 0.16 -0.15 1.61 1.02 0.31 -1.28 119.74 120.25 3rpb s LYS 543 Ca 0.00 -0.05 0.01 0.00 0.02 0.00 0.00 55.97 55.95 3rpb s LYS 543 Cb 0.00 -0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.14 3rpb s LYS 543 CO 0.00 0.02 -0.18 -1.50 -0.92 0.00 0.00 175.35 172.78 3rpb s ILE 544 N 0.06 2.42 -0.17 2.17 -1.16 -0.71 0.16 121.20 123.97 3rpb s ILE 544 Ca -0.00 -0.85 -0.29 0.00 -0.51 0.00 0.00 60.65 59.00 3rpb s ILE 544 Cb -0.02 -2.01 -0.00 0.00 0.61 0.00 0.00 42.46 41.04 3rpb s ILE 544 CO -0.00 0.53 1.04 -0.22 -2.81 0.00 0.00 174.94 173.47 3rpb s LEU 545 N 0.89 4.17 -0.04 8.50 2.96 0.51 -2.31 118.68 133.36 3rpb s LEU 545 Ca -0.04 1.47 0.07 0.00 -0.22 0.00 0.00 54.13 55.41 3rpb s LEU 545 Cb -0.15 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 3rpb s LEU 545 CO -0.02 -0.58 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.50 3rpb s VAL 546 N 2.67 1.95 -0.26 1.68 1.01 -0.27 -1.99 120.40 125.19 3rpb s VAL 546 Ca 0.47 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 3rpb s VAL 546 Cb -0.17 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.60 3rpb s VAL 546 CO 0.12 0.55 -0.03 -0.94 0.00 0.00 0.00 175.10 174.80 3rpb s SER 547 N -0.33 4.52 0.15 3.32 1.04 0.52 -1.49 113.70 121.42 3rpb s SER 547 Ca 0.02 -0.91 0.02 0.00 0.48 0.00 0.00 55.95 55.55 3rpb s SER 547 Cb -0.12 -1.70 -0.04 0.00 0.10 0.00 0.00 66.02 64.27 3rpb s SER 547 CO 0.01 -0.16 0.30 -0.76 0.98 0.00 0.00 173.24 173.62 3rpb s LEU 548 N 1.34 4.32 -0.30 2.42 1.43 -0.56 0.25 118.68 127.57 3rpb s LEU 548 Ca -0.00 0.23 -0.22 0.00 -1.03 0.00 0.00 54.13 53.11 3rpb s LEU 548 Cb -0.17 -2.97 0.20 0.00 0.03 0.00 0.00 46.19 43.28 3rpb s LEU 548 CO -0.03 0.04 1.41 -0.32 0.23 0.00 0.00 176.35 177.68 3rpb s MET 549 N -3.19 0.02 -0.12 1.70 1.75 -0.50 0.25 119.30 119.21 3rpb s MET 549 Ca 0.35 0.03 -0.00 0.00 -1.25 0.00 0.00 55.69 54.82 3rpb s MET 549 Cb -0.11 0.01 -0.02 0.00 2.84 0.00 0.00 34.83 37.54 3rpb s MET 549 CO 0.29 -0.00 -0.10 -0.47 -0.65 0.00 0.00 175.02 174.08 3rpb s TYR 550 N 0.38 2.87 -0.84 4.11 5.04 -1.14 0.26 117.35 128.03 3rpb s TYR 550 Ca 0.02 -0.41 -0.10 0.00 -2.44 0.00 0.00 57.07 54.14 3rpb s TYR 550 Cb -0.04 -1.83 0.22 0.00 0.35 0.00 0.00 41.96 40.66 3rpb s TYR 550 CO -0.14 -0.05 0.76 0.45 -1.34 0.00 0.00 175.55 175.24 3rpb s SER 551 N 0.07 6.47 0.32 4.32 0.15 0.47 -2.95 113.70 122.55 3rpb s SER 551 Ca -0.04 -2.99 0.05 0.00 0.70 0.00 0.00 55.95 53.67 3rpb s SER 551 Cb -0.14 -2.11 0.68 0.00 -1.71 0.00 0.00 66.02 62.74 3rpb s SER 551 CO 0.04 -0.44 1.86 0.71 1.20 0.00 0.00 173.24 176.61 3rpb h THR 552 N 4.61 0.90 -0.80 6.45 1.35 -1.92 0.66 112.91 124.15 3rpb h THR 552 Ca 0.10 -0.29 0.19 0.00 -0.55 0.00 0.00 66.41 65.86 3rpb h THR 552 Cb 0.97 -0.03 -0.12 0.00 -1.73 0.00 0.00 68.15 67.23 3rpb h THR 552 CO 0.80 0.16 0.18 1.56 -0.25 0.00 0.00 175.52 177.97 3rpb h GLN 553 N 0.86 0.23 0.00 4.72 7.50 -1.94 0.23 115.11 126.71 3rpb h GLN 553 Ca 0.46 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.60 3rpb h GLN 553 Cb 0.56 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.04 3rpb h GLN 553 CO -0.22 0.15 -1.06 1.04 -1.50 0.00 0.00 178.83 177.23 3rpb n GLN 554 N -5.20 0.59 -2.52 1.46 1.13 -0.17 -4.98 117.38 107.68 3rpb n GLN 554 Ca 0.17 0.09 -0.02 0.00 -1.94 0.00 0.00 57.00 55.30 3rpb n GLN 554 Cb 0.55 -1.79 0.01 0.00 0.11 0.00 0.00 30.24 29.11 3rpb n GLN 554 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3rpb n GLY 555 N 1.20 0.72 3.46 1.08 0.00 0.21 -5.06 105.19 106.80 3rpb n GLY 555 Ca -0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.01 0.94 0.34 -0.02 0.00 -0.98 -4.23 107.32 100.35 3rpb s GLY 556 Ca 0.05 -1.21 0.02 0.00 0.00 0.00 0.00 44.72 43.58 3rpb s GLY 556 CO 0.06 -0.91 0.51 -2.27 0.00 0.00 0.00 173.10 170.49 3rpb s LEU 557 N -3.09 4.02 -0.05 0.66 2.96 -0.69 -0.39 118.68 122.10 3rpb s LEU 557 Ca 0.29 0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.46 3rpb s LEU 557 Cb 0.02 -3.10 0.01 0.00 0.50 0.00 0.00 46.19 43.62 3rpb s LEU 557 CO 0.11 -0.33 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.09 3rpb s ILE 558 N -2.26 0.86 -0.16 6.68 -1.09 0.71 0.15 121.20 126.10 3rpb s ILE 558 Ca 0.41 -0.35 0.01 0.00 -2.23 0.00 0.00 60.65 58.49 3rpb s ILE 558 Cb -0.09 -0.80 0.02 0.00 -1.58 0.00 0.00 42.46 40.00 3rpb s ILE 558 CO 0.34 0.28 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.46 3rpb s VAL 559 N 0.55 1.93 -0.28 2.92 1.01 -1.15 -1.41 120.40 123.96 3rpb s VAL 559 Ca -0.10 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 60.97 3rpb s VAL 559 Cb -0.13 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.53 3rpb s VAL 559 CO 0.02 0.52 0.03 -0.83 0.00 0.00 0.00 175.10 174.84 3rpb s GLY 560 N 1.22 1.74 -0.69 4.51 0.00 0.71 0.26 107.32 115.06 3rpb s GLY 560 Ca 0.02 -1.51 -0.19 0.00 0.00 0.00 0.00 44.72 43.04 3rpb s GLY 560 CO -0.10 0.62 0.83 -0.42 0.00 0.00 0.00 173.10 174.04 3rpb s ILE 561 N 1.41 4.81 0.00 0.90 -1.09 0.53 0.19 121.20 127.96 3rpb s ILE 561 Ca 0.01 -1.16 0.00 0.00 -2.23 0.00 0.00 60.65 57.26 3rpb s ILE 561 Cb -0.17 -4.57 0.00 0.00 -1.58 0.00 0.00 42.46 36.13 3rpb s ILE 561 CO 0.00 -1.24 0.16 -0.38 -1.23 0.00 0.00 174.94 172.25 3rpb n ILE 562 N 5.43 0.00 -3.84 2.92 -0.00 -0.84 0.26 119.36 123.29 3rpb n ILE 562 Ca -0.00 0.46 -0.07 0.00 -0.00 0.00 0.00 62.75 63.13 3rpb n ILE 562 Cb 0.45 -1.06 -0.00 0.00 -0.00 0.00 0.00 39.64 39.03 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 -0.81 1.90 0.20 0.38 1.70 -1.23 0.24 118.95 121.33 3rpb s ARG 563 Ca 0.00 -1.12 0.06 0.00 -0.47 0.00 0.00 55.73 54.20 3rpb s ARG 563 Cb 0.00 0.60 -0.05 0.00 -0.57 0.00 0.00 34.95 34.93 3rpb s ARG 563 CO 0.00 -0.88 -0.11 0.00 -1.08 0.00 0.00 175.30 173.23 3rpb s VAL 565 N -3.13 0.04 -1.10 0.00 -7.23 0.43 -3.67 120.40 105.73 3rpb s VAL 565 Ca 0.22 -0.33 -0.01 0.00 -1.81 0.00 0.00 61.98 60.05 3rpb s VAL 565 Cb 0.01 -0.46 -0.01 0.00 0.56 0.00 0.00 36.38 36.48 3rpb s VAL 565 CO 0.05 -0.18 0.93 1.41 -0.31 0.00 0.00 175.10 177.00 3rpb n HIS 566 N 2.03 -2.09 -3.28 2.82 8.25 -1.20 0.12 115.22 121.88 3rpb n HIS 566 Ca -0.18 0.87 -0.37 0.00 -0.26 0.00 0.00 57.72 57.78 3rpb n HIS 566 Cb 0.57 -4.77 -0.06 0.00 1.12 0.00 0.00 29.99 26.84 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 -5.97 4.45 0.59 2.41 1.43 -0.70 -0.79 118.68 120.10 3rpb s LEU 567 Ca 0.06 1.23 -0.17 0.00 -1.03 0.00 0.00 54.13 54.21 3rpb s LEU 567 Cb -0.01 -3.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.08 3rpb s LEU 567 CO 0.68 0.19 1.10 0.00 0.23 0.00 0.00 176.35 178.55 3rpb s ALA 568 N -1.27 2.64 -0.33 4.21 0.00 -1.22 -4.72 121.76 121.07 3rpb s ALA 568 Ca 0.33 0.60 -0.04 0.00 0.00 0.00 0.00 51.96 52.85 3rpb s ALA 568 Cb -0.18 -3.30 0.05 0.00 0.00 0.00 0.00 23.12 19.69 3rpb s ALA 568 CO 0.19 -0.92 0.07 0.00 0.00 0.00 0.00 175.76 175.10 3rpb s ALA 569 N -2.16 2.96 -0.16 0.00 0.00 -1.26 -4.42 121.76 116.72 3rpb s ALA 569 Ca 0.68 -1.85 0.17 0.00 0.00 0.00 0.00 51.96 50.95 3rpb s ALA 569 Cb -0.20 -2.14 -0.03 0.00 0.00 0.00 0.00 23.12 20.75 3rpb s ALA 569 CO 0.34 -1.37 1.13 0.52 0.00 0.00 0.00 175.76 176.38 3rpb h MET 570 N 8.10 0.00 -7.22 0.00 2.86 -1.88 -3.43 114.93 113.37 3rpb h MET 570 Ca -0.21 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 56.91 3rpb h MET 570 Cb 1.07 0.00 0.14 0.00 0.06 0.00 0.00 31.60 32.86 3rpb h MET 570 CO 0.58 0.34 0.35 -0.51 1.06 0.00 0.00 176.91 178.74 3rpb s ASP 571 N -6.04 4.45 0.00 1.22 1.01 -1.02 -4.89 116.67 111.40 3rpb s ASP 571 Ca 0.01 2.11 0.21 0.00 0.71 0.00 0.00 52.55 55.58 3rpb s ASP 571 Cb 0.08 -2.56 1.23 0.00 1.01 0.00 0.00 42.92 42.68 3rpb s ASP 571 CO 0.78 -2.08 1.65 0.00 0.21 0.00 0.00 175.17 175.73 3rpb n ALA 572 N -2.91 2.38 1.03 5.23 0.00 -1.26 -2.47 120.51 122.51 3rpb n ALA 572 Ca 0.11 -0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.54 3rpb n ALA 572 Cb 0.52 -1.34 0.20 0.00 0.00 0.00 0.00 19.45 18.83 3rpb n ALA 572 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3rpb n ASN 573 N -0.93 0.68 0.00 0.00 0.23 -1.26 -4.93 115.26 109.05 3rpb n ASN 573 Ca 0.15 -0.48 0.00 0.00 -0.53 0.00 0.00 54.58 53.73 3rpb n ASN 573 Cb 0.07 0.36 0.00 0.00 -2.08 0.00 0.00 39.78 38.13 3rpb n ASN 573 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3rpb n GLY 574 N 1.48 0.63 0.00 4.83 0.00 -1.03 -5.05 105.19 106.05 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 -2.00 0.00 -4.04 1.61 4.02 -1.26 -4.50 117.16 110.99 3rpb n TYR 575 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.79 3rpb n TYR 575 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.26 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 -0.87 -0.01 -0.70 7.72 0.01 -1.25 -2.43 113.70 116.17 3rpb s SER 576 Ca 0.00 -1.04 0.04 0.00 1.31 0.00 0.00 55.95 56.26 3rpb s SER 576 Cb 0.00 0.55 0.30 0.00 0.21 0.00 0.00 66.02 67.09 3rpb s SER 576 CO 0.00 -1.10 1.03 0.47 0.41 0.00 0.00 173.24 174.06 3rpb n ASP 577 N -0.41 4.77 -4.75 2.44 8.00 -1.25 0.04 116.55 125.38 3rpb n ASP 577 Ca -0.01 -3.59 -0.41 0.00 0.71 0.00 0.00 54.79 51.49 3rpb n ASP 577 Cb 0.63 -0.73 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 3rpb n ASP 577 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3rpb s PRO 578 N -3.19 4.33 0.09 -0.24 0.04 -1.24 0.27 135.00 135.06 3rpb s PRO 578 Ca 0.43 2.19 -0.06 0.00 0.04 0.00 0.00 61.00 63.61 3rpb s PRO 578 Cb 0.21 -3.13 -0.02 0.00 0.04 0.00 0.00 34.50 31.59 3rpb s PRO 578 CO -0.07 -0.32 0.12 -0.59 0.04 0.00 0.00 177.00 176.18 3rpb s PHE 579 N -0.16 0.35 -0.06 0.56 -0.71 -0.29 -2.62 117.98 115.05 3rpb s PHE 579 Ca 0.56 -0.80 0.05 0.00 -1.04 0.00 0.00 56.93 55.70 3rpb s PHE 579 Cb -0.39 -0.19 -0.02 0.00 -1.21 0.00 0.00 43.02 41.20 3rpb s PHE 579 CO 0.43 -0.51 -0.20 0.08 -1.34 0.00 0.00 175.22 173.68 3rpb s VAL 580 N -3.91 2.56 -0.09 -2.49 1.01 -1.26 -0.69 120.40 115.54 3rpb s VAL 580 Ca 0.08 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3rpb s VAL 580 Cb 0.06 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 3rpb s VAL 580 CO -0.08 0.57 -0.17 -0.54 0.00 0.00 0.00 175.10 174.88 3rpb s LYS 581 N -0.36 2.99 -0.05 2.72 1.02 0.28 0.17 119.74 126.51 3rpb s LYS 581 Ca 0.03 -0.75 0.06 0.00 0.02 0.00 0.00 55.97 55.32 3rpb s LYS 581 Cb -0.12 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.73 3rpb s LYS 581 CO 0.02 0.33 -0.24 -0.51 -0.92 0.00 0.00 175.35 174.03 3rpb s LEU 582 N 0.01 2.05 -0.10 3.17 1.02 -0.99 -0.76 118.68 123.08 3rpb s LEU 582 Ca -0.06 -0.49 -0.04 0.00 0.02 0.00 0.00 54.13 53.56 3rpb s LEU 582 Cb -0.15 -1.33 0.05 0.00 0.02 0.00 0.00 46.19 44.79 3rpb s LEU 582 CO 0.05 0.24 0.19 0.86 0.02 0.00 0.00 176.35 177.70 3rpb s TRP 583 N -0.16 -0.25 -0.43 0.29 -0.00 -1.10 0.01 118.94 117.31 3rpb s TRP 583 Ca -0.03 0.70 -0.17 0.00 -0.00 0.00 0.00 56.10 56.60 3rpb s TRP 583 Cb -0.13 -0.18 0.03 0.00 -0.00 0.00 0.00 33.47 33.19 3rpb s TRP 583 CO 0.03 -0.28 0.44 -1.17 -0.00 0.00 0.00 176.95 175.97 3rpb s LEU 584 N 2.19 4.92 0.40 5.86 2.96 -1.21 -1.10 118.68 132.71 3rpb s LEU 584 Ca 0.01 -0.74 -0.02 0.00 -0.22 0.00 0.00 54.13 53.16 3rpb s LEU 584 Cb -0.12 -2.37 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 3rpb s LEU 584 CO -0.07 -0.60 0.65 -0.54 -1.32 0.00 0.00 176.35 174.48 3rpb s LYS 585 N 2.12 3.51 -0.49 1.98 1.02 -0.42 -3.40 119.74 124.06 3rpb s LYS 585 Ca 0.11 -0.10 -0.29 0.00 0.02 0.00 0.00 55.97 55.72 3rpb s LYS 585 Cb -0.18 -2.54 0.03 0.00 -0.52 0.00 0.00 37.83 34.63 3rpb s LYS 585 CO 0.13 -0.00 1.14 -2.14 -0.92 0.00 0.00 175.35 173.55 3rpb s PRO 586 N -4.49 3.69 -0.14 -1.68 0.02 -1.26 -1.31 135.00 129.83 3rpb s PRO 586 Ca 0.43 0.51 -0.09 0.00 0.02 0.00 0.00 61.00 61.87 3rpb s PRO 586 Cb -0.10 -3.92 -0.04 0.00 0.02 0.00 0.00 34.50 30.46 3rpb s PRO 586 CO 0.40 -1.42 0.49 -0.40 -0.33 0.00 0.00 177.00 175.75 3rpb n ASP 587 N 7.90 0.14 0.14 2.53 5.75 -1.22 -4.77 116.55 127.02 3rpb n ASP 587 Ca 0.11 0.12 0.02 0.00 -0.01 0.00 0.00 54.79 55.04 3rpb n ASP 587 Cb 0.49 -0.20 0.04 0.00 -1.03 0.00 0.00 41.12 40.42 3rpb n ASP 587 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3rpb h MET 588 N 2.12 0.00 0.00 0.11 -0.00 -1.96 -3.47 114.93 111.73 3rpb h MET 588 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.68 3rpb h MET 588 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.90 3rpb h MET 588 CO 0.25 0.52 0.00 0.41 -0.00 0.00 0.00 176.91 178.09 3rpb n GLY 589 N 1.16 5.38 0.00 -3.00 0.00 -1.26 -5.06 105.19 102.41 3rpb n GLY 589 Ca 0.02 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3rpb n GLY 589 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3rpb n LYS 590 N 0.00 1.37 -0.07 1.61 3.00 -1.26 -4.69 118.16 118.12 3rpb n LYS 590 Ca 0.00 -0.95 0.02 0.00 -0.00 0.00 0.00 58.31 57.38 3rpb n LYS 590 Cb 0.00 -0.77 0.06 0.00 0.00 0.00 0.00 35.03 34.33 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 -0.24 2.93 0.23 1.64 4.76 -1.26 -4.60 118.16 121.62 3rpb n LYS 591 Ca 0.00 -1.73 0.16 0.00 -2.87 0.00 0.00 58.31 53.86 3rpb n LYS 591 Cb 0.34 -1.12 0.70 0.00 -1.84 0.00 0.00 35.03 33.11 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 0.77 1.00 -2.31 7.82 0.00 -1.92 -3.43 119.26 121.19 3rpb h ALA 592 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 3rpb h ALA 592 Cb 0.60 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.43 3rpb h ALA 592 CO 0.00 0.00 0.25 0.15 0.00 0.00 0.00 179.25 179.65 3rpb s LYS 593 N -3.61 3.67 0.27 0.00 -0.14 -1.26 -3.33 119.74 115.34 3rpb s LYS 593 Ca 0.01 0.55 -0.14 0.00 -1.36 0.00 0.00 55.97 55.02 3rpb s LYS 593 Cb 0.09 -2.25 0.00 0.00 -1.68 0.00 0.00 37.83 34.00 3rpb s LYS 593 CO 0.43 -0.29 0.55 -1.01 -0.76 0.00 0.00 175.35 174.27 3rpb s HIS 594 N -2.78 0.25 -0.30 3.18 3.76 0.10 -4.89 115.29 114.61 3rpb s HIS 594 Ca 0.52 -0.65 -0.10 0.00 -0.15 0.00 0.00 55.06 54.69 3rpb s HIS 594 Cb -0.10 0.33 0.13 0.00 1.11 0.00 0.00 32.58 34.05 3rpb s HIS 594 CO 0.43 -1.09 0.65 -1.59 -0.85 0.00 0.00 174.74 172.29 3rpb s LYS 595 N -3.87 0.58 0.80 1.40 0.00 -1.25 -2.35 119.74 115.06 3rpb s LYS 595 Ca 0.20 1.44 -0.11 0.00 0.00 0.00 0.00 55.97 57.49 3rpb s LYS 595 Cb -0.02 0.87 0.07 0.00 0.00 0.00 0.00 37.83 38.75 3rpb s LYS 595 CO 0.09 -0.21 1.09 0.95 0.00 0.00 0.00 175.35 177.28 3rpb s THR 596 N 2.89 3.09 0.30 3.79 -4.23 0.46 -4.93 115.64 117.02 3rpb s THR 596 Ca -0.05 0.36 -0.27 0.00 -1.18 0.00 0.00 61.69 60.54 3rpb s THR 596 Cb -0.12 -3.05 -0.14 0.00 1.34 0.00 0.00 72.50 70.53 3rpb s THR 596 CO -0.19 -0.46 0.95 0.00 -0.54 0.00 0.00 174.62 174.37 3rpb n GLN 597 N -3.48 1.21 -2.71 3.99 6.02 -1.26 -4.35 117.38 116.80 3rpb n GLN 597 Ca 0.07 0.42 -0.43 0.00 -0.01 0.00 0.00 57.00 57.06 3rpb n GLN 597 Cb 0.56 -1.77 -0.03 0.00 1.02 0.00 0.00 30.24 30.02 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 -1.09 4.70 -1.05 5.09 -1.09 -1.26 -4.66 121.20 121.83 3rpb s ILE 598 Ca 0.59 1.88 -0.02 0.00 -2.23 0.00 0.00 60.65 60.88 3rpb s ILE 598 Cb -0.70 -4.28 0.30 0.00 -1.58 0.00 0.00 42.46 36.20 3rpb s ILE 598 CO 0.59 -0.19 1.85 1.17 -1.23 0.00 0.00 174.94 177.13 3rpb n LYS 599 N 6.31 5.33 -1.57 2.79 3.00 -1.08 -5.02 118.16 127.92 3rpb n LYS 599 Ca 0.10 -4.57 -0.46 0.00 -0.00 0.00 0.00 58.31 53.38 3rpb n LYS 599 Cb 0.46 -2.49 -0.02 0.00 0.00 0.00 0.00 35.03 32.98 3rpb n LYS 599 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3rpb n LYS 600 N 0.17 1.21 -2.44 1.64 4.01 -1.26 -3.54 118.16 117.95 3rpb n LYS 600 Ca 0.47 0.43 -0.05 0.00 -0.51 0.00 0.00 58.31 58.64 3rpb n LYS 600 Cb 0.26 -1.81 0.02 0.00 -0.51 0.00 0.00 35.03 33.00 3rpb n LYS 600 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 3rpb n LYS 601 N 1.08 -1.06 0.00 1.97 4.01 -0.52 -4.91 118.16 118.72 3rpb n LYS 601 Ca 0.12 0.71 0.00 0.00 -0.51 0.00 0.00 58.31 58.62 3rpb n LYS 601 Cb 0.29 -3.91 0.00 0.00 -0.51 0.00 0.00 35.03 30.90 3rpb n LYS 601 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 3rpb n THR 602 N -2.07 0.00 0.01 -0.18 5.66 0.11 -4.90 114.28 112.91 3rpb n THR 602 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 3rpb n THR 602 Cb 0.54 0.00 -0.00 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 0.01 -2.72 1.09 4.77 -1.26 -3.92 117.00 114.97 3rpb n LEU 603 Ca 0.00 -0.34 -0.16 0.00 -0.03 0.00 0.00 56.01 55.48 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 0.00 -0.04 0.59 -1.33 0.00 0.00 177.39 176.61 3rpb n ASN 604 N -1.17 2.35 -3.90 -1.43 3.02 -1.26 -1.71 115.26 111.16 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 0.01 -0.53 0.22 0.00 -0.61 0.00 0.00 39.78 38.86 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 -3.14 0.01 -0.13 3.52 0.04 -1.24 -4.85 135.00 129.21 3rpb s PRO 605 Ca 0.36 -0.48 -0.00 0.00 0.04 0.00 0.00 61.00 60.92 3rpb s PRO 605 Cb 0.42 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 33.21 3rpb s PRO 605 CO -0.05 -2.82 -0.09 -2.00 0.04 0.00 0.00 177.00 172.08 3rpb s GLU 606 N -5.89 1.68 -0.11 4.56 2.12 -1.26 -2.60 118.70 117.20 3rpb s GLU 606 Ca 0.76 -0.39 -0.05 0.00 0.36 0.00 0.00 54.97 55.65 3rpb s GLU 606 Cb -0.03 -1.80 -0.02 0.00 0.26 0.00 0.00 34.13 32.54 3rpb s GLU 606 CO 0.54 -0.30 -0.11 0.74 -0.54 0.00 0.00 175.26 175.60 3rpb h PHE 607 N 8.13 0.00 -5.98 5.30 0.04 0.30 -3.48 116.94 121.25 3rpb h PHE 607 Ca -0.30 0.00 -0.41 0.00 2.80 0.00 0.00 57.97 60.06 3rpb h PHE 607 Cb 1.13 0.00 0.08 0.00 2.20 0.00 0.00 35.95 39.36 3rpb h PHE 607 CO 0.47 0.00 -0.77 -1.71 -0.60 0.00 0.00 178.31 175.70 3rpb n ASN 608 N -4.33 -3.14 -4.54 2.17 2.85 0.72 -4.90 115.26 104.08 3rpb n ASN 608 Ca -0.04 -0.71 -0.34 0.00 -0.11 0.00 0.00 54.58 53.38 3rpb n ASN 608 Cb 0.16 -4.46 -0.11 0.00 1.24 0.00 0.00 39.78 36.60 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 -6.03 3.72 -0.25 1.20 0.41 0.39 -4.90 118.70 113.24 3rpb s GLU 609 Ca 0.26 -0.47 -0.09 0.00 -0.41 0.00 0.00 54.97 54.26 3rpb s GLU 609 Cb -0.12 -2.98 -0.04 0.00 -1.78 0.00 0.00 34.13 29.21 3rpb s GLU 609 CO 0.78 0.27 0.11 -2.00 -0.49 0.00 0.00 175.26 173.94 3rpb s GLU 610 N 0.31 3.82 0.56 1.61 2.56 -1.26 0.20 118.70 126.50 3rpb s GLU 610 Ca -0.02 -0.40 0.09 0.00 0.00 0.00 0.00 54.97 54.64 3rpb s GLU 610 Cb -0.14 -3.44 0.07 0.00 2.00 0.00 0.00 34.13 32.63 3rpb s GLU 610 CO 0.02 -0.11 0.69 -0.06 -0.56 0.00 0.00 175.26 175.24 3rpb s PHE 611 N 1.48 1.48 -0.18 5.30 0.40 0.72 -4.95 117.98 122.23 3rpb s PHE 611 Ca 0.06 -0.75 -0.07 0.00 -0.60 0.00 0.00 56.93 55.57 3rpb s PHE 611 Cb -0.15 -2.13 0.08 0.00 0.51 0.00 0.00 43.02 41.33 3rpb s PHE 611 CO 0.06 -0.97 0.38 0.12 0.70 0.00 0.00 175.22 175.51 3rpb s PHE 612 N -2.69 -0.67 0.14 0.36 5.36 -1.26 -2.95 117.98 116.27 3rpb s PHE 612 Ca 0.54 1.34 0.03 0.00 -0.96 0.00 0.00 56.93 57.89 3rpb s PHE 612 Cb -0.05 0.22 -0.04 0.00 -0.34 0.00 0.00 43.02 42.81 3rpb s PHE 612 CO 0.34 -0.42 0.23 0.71 -1.46 0.00 0.00 175.22 174.62 3rpb s TYR 613 N 2.34 3.39 -0.86 10.12 1.51 0.41 -4.94 117.35 129.32 3rpb s TYR 613 Ca -0.03 0.09 0.01 0.00 -1.01 0.00 0.00 57.07 56.14 3rpb s TYR 613 Cb -0.11 -1.63 0.30 0.00 -0.11 0.00 0.00 41.96 40.40 3rpb s TYR 613 CO -0.12 0.52 1.27 -3.47 -1.11 0.00 0.00 175.55 172.65 3rpb n ASP 614 N -0.36 5.58 -4.05 2.29 2.03 -1.26 -1.70 116.55 119.07 3rpb n ASP 614 Ca -0.07 -3.54 -0.20 0.00 0.52 0.00 0.00 54.79 51.50 3rpb n ASP 614 Cb 0.54 -0.95 -0.15 0.00 -0.72 0.00 0.00 41.12 39.83 3rpb n ASP 614 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3rpb s ILE 615 N -3.39 0.86 0.11 5.18 1.10 -1.26 -4.99 121.20 118.81 3rpb s ILE 615 Ca 0.39 -0.46 -0.31 0.00 -0.51 0.00 0.00 60.65 59.76 3rpb s ILE 615 Cb 0.15 -0.73 -0.07 0.00 0.15 0.00 0.00 42.46 41.97 3rpb s ILE 615 CO -0.02 0.25 1.26 -0.54 -2.11 0.00 0.00 174.94 173.77 3rpb s LYS 616 N -0.20 4.41 0.25 3.50 1.02 -1.26 -3.98 119.74 123.48 3rpb s LYS 616 Ca 0.03 1.89 -0.13 0.00 0.02 0.00 0.00 55.97 57.78 3rpb s LYS 616 Cb -0.05 -3.29 0.33 0.00 -0.52 0.00 0.00 37.83 34.30 3rpb s LYS 616 CO -0.00 -0.27 1.57 1.25 -0.92 0.00 0.00 175.35 176.97 3rpb h HIS 617 N 6.41 -0.72 0.00 3.18 -0.00 -1.92 1.84 115.15 123.93 3rpb h HIS 617 Ca -0.42 0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.03 3rpb h HIS 617 Cb 1.21 0.46 0.00 0.00 -0.00 0.00 0.00 27.41 29.08 3rpb h HIS 617 CO 0.65 -0.40 0.38 0.77 -0.00 0.00 0.00 177.93 179.33 3rpb h SER 618 N -0.02 0.00 0.00 3.26 0.02 -2.00 0.16 113.55 114.98 3rpb h SER 618 Ca 0.39 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 61.02 3rpb h SER 618 Cb 0.64 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.12 3rpb h SER 618 CO -0.94 0.00 -2.22 0.47 -1.14 0.00 0.00 176.83 173.00 3rpb n ASP 619 N -2.76 0.66 -0.11 3.07 8.00 0.60 -4.63 116.55 121.37 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 0.42 0.89 -0.03 0.00 -0.02 0.00 0.00 41.12 42.38 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 -2.68 -0.28 -0.35 0.64 4.77 0.57 0.73 117.00 120.40 3rpb n LEU 620 Ca -0.29 0.92 0.11 0.00 -0.03 0.00 0.00 56.01 56.71 3rpb n LEU 620 Cb 1.07 -0.29 0.22 0.00 -2.33 0.00 0.00 43.42 42.10 3rpb n LEU 620 CO 0.37 -0.61 0.73 0.00 -1.33 0.00 0.00 177.39 176.56 3rpb n ALA 621 N -2.99 0.38 0.30 -1.18 0.00 -1.24 0.29 120.51 116.07 3rpb n ALA 621 Ca 0.01 1.08 0.16 0.00 0.00 0.00 0.00 53.44 54.68 3rpb n ALA 621 Cb 0.07 -0.72 0.72 0.00 0.00 0.00 0.00 19.45 19.51 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 6.56 0.03 -3.19 116.57 119.97 3rpb h LYS 622 Ca 0.54 0.00 -0.31 0.00 -1.06 0.00 0.00 60.65 59.83 3rpb h LYS 622 Cb 1.00 0.00 0.14 0.00 -0.57 0.00 0.00 32.23 32.80 3rpb h LYS 622 CO -0.98 0.00 0.18 1.63 -2.06 0.00 0.00 179.45 178.22 3rpb n LYS 623 N -2.66 -1.94 -3.15 3.15 4.76 0.82 -4.72 118.16 114.42 3rpb n LYS 623 Ca -0.00 -1.40 0.04 0.00 -2.87 0.00 0.00 58.31 54.08 3rpb n LYS 623 Cb 0.18 -1.14 -0.00 0.00 -1.84 0.00 0.00 35.03 32.22 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 -4.09 -1.55 0.20 4.39 0.01 -0.42 -3.82 113.70 108.41 3rpb s SER 624 Ca 0.54 0.39 -0.30 0.00 1.31 0.00 0.00 55.95 57.90 3rpb s SER 624 Cb -0.04 2.07 -0.08 0.00 0.21 0.00 0.00 66.02 68.18 3rpb s SER 624 CO 0.40 -0.29 0.97 -0.22 0.41 0.00 0.00 173.24 174.51 3rpb s LEU 625 N 2.84 4.59 -0.41 2.44 2.96 0.74 -1.30 118.68 130.54 3rpb s LEU 625 Ca 0.13 1.93 0.03 0.00 -0.22 0.00 0.00 54.13 56.01 3rpb s LEU 625 Cb -0.11 -3.60 0.11 0.00 0.50 0.00 0.00 46.19 43.09 3rpb s LEU 625 CO -0.24 0.05 0.15 -0.62 -1.32 0.00 0.00 176.35 174.36 3rpb s ASP 626 N -0.75 4.40 -0.55 3.68 2.15 -0.26 0.23 116.67 125.57 3rpb s ASP 626 Ca 0.43 -2.43 -0.21 0.00 0.43 0.00 0.00 52.55 50.77 3rpb s ASP 626 Cb -0.26 -1.47 0.06 0.00 -0.30 0.00 0.00 42.92 40.95 3rpb s ASP 626 CO 0.32 -0.32 0.79 -0.63 -0.17 0.00 0.00 175.17 175.16 3rpb s ILE 627 N 0.53 4.62 0.02 4.11 1.09 -0.37 -2.70 121.20 128.51 3rpb s ILE 627 Ca 0.14 -0.25 0.08 0.00 -1.10 0.00 0.00 60.65 59.51 3rpb s ILE 627 Cb -0.22 -4.45 -0.03 0.00 -1.06 0.00 0.00 42.46 36.70 3rpb s ILE 627 CO -0.06 -1.03 -0.22 -0.44 -0.10 0.00 0.00 174.94 173.08 3rpb s SER 628 N 2.97 3.48 -0.09 3.58 0.01 0.06 -0.09 113.70 123.61 3rpb s SER 628 Ca 0.21 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 57.01 3rpb s SER 628 Cb -0.17 -0.47 -0.03 0.00 0.21 0.00 0.00 66.02 65.56 3rpb s SER 628 CO 0.14 0.28 -0.10 -0.69 0.41 0.00 0.00 173.24 173.28 3rpb s VAL 629 N -0.81 3.44 0.07 3.43 1.01 0.43 0.10 120.40 128.07 3rpb s VAL 629 Ca 0.13 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.60 3rpb s VAL 629 Cb -0.10 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 3rpb s VAL 629 CO 0.03 0.57 -0.17 0.26 0.00 0.00 0.00 175.10 175.79 3rpb s TRP 630 N -0.39 1.42 -0.83 5.22 0.52 0.14 -1.23 118.94 123.79 3rpb s TRP 630 Ca 0.05 -0.42 -0.21 0.00 0.02 0.00 0.00 56.10 55.55 3rpb s TRP 630 Cb -0.12 -0.81 0.10 0.00 -1.15 0.00 0.00 33.47 31.49 3rpb s TRP 630 CO 0.02 0.10 1.10 0.34 0.02 0.00 0.00 176.95 178.53 3rpb s ASP 631 N -1.60 6.43 1.00 2.95 2.15 0.74 -1.13 116.67 127.20 3rpb s ASP 631 Ca 0.02 -1.55 -0.14 0.00 0.43 0.00 0.00 52.55 51.30 3rpb s ASP 631 Cb -0.09 -2.43 0.07 0.00 -0.30 0.00 0.00 42.92 40.17 3rpb s ASP 631 CO 0.03 -1.27 0.39 0.00 -0.17 0.00 0.00 175.17 174.15 3rpb n TYR 632 N 7.28 -1.27 -3.65 -5.34 4.19 0.78 -1.47 117.16 117.69 3rpb n TYR 632 Ca 0.14 0.21 -0.04 0.00 3.31 0.00 0.00 57.90 61.51 3rpb n TYR 632 Cb 0.48 -1.74 -0.06 0.00 0.49 0.00 0.00 39.34 38.51 3rpb n TYR 632 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 3rpb s ASP 633 N -2.04 -1.00 0.10 2.98 1.01 -1.26 -3.96 116.67 112.51 3rpb s ASP 633 Ca 0.58 1.50 -0.24 0.00 0.71 0.00 0.00 52.55 55.10 3rpb s ASP 633 Cb -0.19 1.84 -0.07 0.00 1.01 0.00 0.00 42.92 45.51 3rpb s ASP 633 CO 0.66 -0.23 0.72 0.27 0.21 0.00 0.00 175.17 176.80 3rpb s ILE 634 N 2.33 4.58 0.00 0.77 -0.00 -1.26 -3.71 121.20 123.91 3rpb s ILE 634 Ca -0.08 1.55 0.00 0.00 -0.00 0.00 0.00 60.65 62.12 3rpb s ILE 634 Cb -0.09 -4.07 0.00 0.00 -0.00 0.00 0.00 42.46 38.30 3rpb s ILE 634 CO -0.19 0.48 0.00 0.61 -0.00 0.00 0.00 174.94 175.84 3rpb n GLY 635 N 1.89 2.76 0.00 6.27 0.00 -1.26 -4.94 105.19 109.91 3rpb n GLY 635 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 -1.89 1.61 5.02 -1.24 -5.17 118.16 114.49 3rpb n LYS 636 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 3rpb n LYS 636 Cb 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 35.03 35.14 3rpb n LYS 636 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3rpb s SER 637 N -0.34 3.88 0.05 4.39 0.01 -1.26 -4.72 113.70 115.72 3rpb s SER 637 Ca 0.00 0.59 0.00 0.00 1.31 0.00 0.00 55.95 57.85 3rpb s SER 637 Cb 0.00 -0.91 0.00 0.00 0.21 0.00 0.00 66.02 65.32 3rpb s SER 637 CO 0.00 -2.28 0.00 -0.46 0.41 0.00 0.00 173.24 170.91 3rpb n ASN 638 N -3.53 0.00 -3.66 2.44 6.94 -1.26 -4.10 115.26 112.09 3rpb n ASN 638 Ca 0.11 -0.10 -0.14 0.00 -0.02 0.00 0.00 54.58 54.42 3rpb n ASN 638 Cb 0.60 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.94 3rpb n ASN 638 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 3rpb s ASP 639 N -1.00 -0.57 -0.36 0.53 1.01 -0.54 -4.92 116.67 110.83 3rpb s ASP 639 Ca 0.00 0.97 -0.23 0.00 0.71 0.00 0.00 52.55 53.99 3rpb s ASP 639 Cb 0.00 0.97 0.01 0.00 1.01 0.00 0.00 42.92 44.91 3rpb s ASP 639 CO 0.00 -0.30 0.80 -0.47 0.21 0.00 0.00 175.17 175.41 3rpb s TYR 640 N -0.14 3.12 -0.11 4.23 6.14 -1.26 0.26 117.35 129.59 3rpb s TYR 640 Ca -0.03 0.59 -0.00 0.00 0.64 0.00 0.00 57.07 58.26 3rpb s TYR 640 Cb -0.03 -3.41 -0.25 0.00 0.42 0.00 0.00 41.96 38.69 3rpb s TYR 640 CO 0.03 -0.73 0.41 -0.89 0.64 0.00 0.00 175.55 175.00 3rpb n ILE 641 N 5.79 1.71 0.00 3.14 5.41 -0.36 -4.83 119.36 130.22 3rpb n ILE 641 Ca 0.03 -0.70 0.00 0.00 1.00 0.00 0.00 62.75 63.09 3rpb n ILE 641 Cb 0.48 -1.50 0.00 0.00 -0.71 0.00 0.00 39.64 37.91 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 1.89 3.16 0.00 7.39 0.00 -0.64 -4.84 105.19 112.15 3rpb n GLY 642 Ca -0.29 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.64 2.08 3.60 -0.02 0.00 0.15 0.16 105.19 109.52 3rpb n GLY 643 Ca 0.00 -0.81 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.14 3.80 -0.41 0.00 -0.21 -1.26 -1.24 119.66 120.19 3rpb s GLN 645 Ca -0.03 0.25 0.02 0.00 0.02 0.00 0.00 55.36 55.62 3rpb s GLN 645 Cb -0.03 -2.76 0.16 0.00 1.00 0.00 0.00 33.01 31.37 3rpb s GLN 645 CO 0.03 0.39 0.29 -0.51 -2.12 0.00 0.00 175.29 173.38 3rpb s LEU 646 N -2.55 1.61 0.04 2.90 1.43 0.61 -4.73 118.68 118.00 3rpb s LEU 646 Ca 0.43 -2.75 0.05 0.00 -1.03 0.00 0.00 54.13 50.83 3rpb s LEU 646 Cb -0.12 -0.56 -0.02 0.00 0.03 0.00 0.00 46.19 45.51 3rpb s LEU 646 CO 0.21 -0.23 -0.15 -0.83 0.23 0.00 0.00 176.35 175.58 3rpb s GLY 647 N 0.36 0.86 0.06 -3.19 0.00 -1.26 -0.19 107.32 103.95 3rpb s GLY 647 Ca 0.25 -0.87 0.07 0.00 0.00 0.00 0.00 44.72 44.17 3rpb s GLY 647 CO -0.10 -0.84 1.22 4.51 0.00 0.00 0.00 173.10 177.90 3rpb n ILE 648 N 1.90 1.60 0.05 0.90 3.06 -1.21 -0.63 119.36 125.04 3rpb n ILE 648 Ca -0.18 0.47 0.05 0.00 -2.50 0.00 0.00 62.75 60.59 3rpb n ILE 648 Cb 0.54 -1.41 0.24 0.00 0.54 0.00 0.00 39.64 39.55 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 -1.64 3.47 -2.35 9.51 2.88 -1.26 -4.90 113.62 119.33 3rpb n SER 649 Ca 0.01 -2.38 -0.03 0.00 -1.33 0.00 0.00 58.87 55.13 3rpb n SER 649 Cb 0.05 -0.51 0.01 0.00 -0.75 0.00 0.00 64.21 63.01 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 0.56 0.06 -3.63 -1.46 0.00 0.20 -5.10 120.51 111.14 3rpb n ALA 650 Ca 0.17 -0.27 -0.09 0.00 0.00 0.00 0.00 53.44 53.25 3rpb n ALA 650 Cb 0.69 0.05 -0.08 0.00 0.00 0.00 0.00 19.45 20.11 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 -2.65 0.64 0.00 0.00 1.02 -1.26 -4.74 119.74 112.75 3rpb s LYS 651 Ca 0.09 1.04 0.00 0.00 0.02 0.00 0.00 55.97 57.12 3rpb s LYS 651 Cb -0.01 0.15 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 3rpb s LYS 651 CO 0.06 -0.14 0.00 0.41 -0.92 0.00 0.00 175.35 174.76 3rpb n GLY 652 N 3.93 2.17 0.00 -3.33 0.00 -1.26 -4.64 105.19 102.07 3rpb n GLY 652 Ca -0.19 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 0.57 -0.34 1.61 2.13 -1.26 -4.65 120.64 118.70 3rpb n GLU 653 Ca 0.00 0.00 0.18 0.00 0.66 0.00 0.00 57.16 58.00 3rpb n GLU 653 Cb 0.00 -0.73 0.41 0.00 0.27 0.00 0.00 31.44 31.38 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 0.56 -0.07 5.31 3.08 -1.85 -0.28 114.38 121.13 3rpb h ARG 654 Ca 0.00 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 3rpb h ARG 654 Cb 0.47 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3rpb h ARG 654 CO 0.00 0.37 -0.31 1.25 -1.07 0.00 0.00 179.97 180.21 3rpb h LEU 655 N 0.57 0.40 -0.00 3.04 5.85 -1.85 -2.15 115.31 121.17 3rpb h LEU 655 Ca 0.61 -0.64 0.02 0.00 0.84 0.00 0.00 57.88 58.71 3rpb h LEU 655 Cb 1.22 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 3rpb h LEU 655 CO -0.40 0.97 -0.41 0.11 -0.34 0.00 0.00 178.44 178.36 3rpb h LYS 656 N -0.15 -0.50 0.26 1.25 1.57 -1.35 0.80 116.57 118.45 3rpb h LYS 656 Ca -0.02 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3rpb h LYS 656 Cb 0.95 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 3rpb h LYS 656 CO 0.06 -0.33 -0.15 1.25 -0.57 0.00 0.00 179.45 179.71 3rpb h HIS 657 N -0.52 -0.40 0.00 -1.35 2.76 -1.47 -1.00 115.15 113.18 3rpb h HIS 657 Ca 0.01 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3rpb h HIS 657 Cb 0.56 0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.66 3rpb h HIS 657 CO -0.49 -0.24 0.00 1.87 -1.30 0.00 0.00 177.93 177.77 3rpb n TRP 658 N -5.27 0.00 -0.28 5.26 -0.00 -0.81 -2.55 117.44 113.79 3rpb n TRP 658 Ca -0.09 0.00 -0.10 0.00 -0.00 0.00 0.00 57.50 57.30 3rpb n TRP 658 Cb 0.19 -0.09 -0.09 0.00 -0.00 0.00 0.00 31.31 31.33 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 -1.58 -1.44 5.87 5.03 0.49 0.51 116.97 125.85 3rpb h TYR 659 Ca 0.00 0.10 0.46 0.00 2.58 0.00 0.00 58.73 61.87 3rpb h TYR 659 Cb 0.00 0.78 -0.12 0.00 1.55 0.00 0.00 36.73 38.94 3rpb h TYR 659 CO 0.03 -0.36 0.96 1.05 -1.32 0.00 0.00 178.16 178.52 3rpb h GLU 660 N -0.12 0.06 -0.87 1.82 4.11 -1.18 2.24 114.58 120.63 3rpb h GLU 660 Ca 0.11 -0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.58 3rpb h GLU 660 Cb 0.41 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 3rpb h GLU 660 CO -0.70 0.04 0.56 0.00 0.07 0.00 0.00 179.01 178.97 3rpb h LEU 662 N 1.07 0.22 0.18 0.00 4.07 0.38 -1.68 115.31 119.55 3rpb h LEU 662 Ca 0.35 -0.00 -0.26 0.00 0.08 0.00 0.00 57.88 58.05 3rpb h LEU 662 Cb 0.04 -0.05 0.02 0.00 1.08 0.00 0.00 40.66 41.75 3rpb h LEU 662 CO -0.13 0.15 -1.20 0.07 -1.08 0.00 0.00 178.44 176.25 3rpb h LYS 663 N 0.25 0.38 -2.65 1.13 2.10 -0.79 -3.37 116.57 113.63 3rpb h LYS 663 Ca 0.16 -0.64 -0.80 0.00 -2.00 0.00 0.00 60.65 57.37 3rpb h LYS 663 Cb 0.30 0.24 -0.28 0.00 -0.90 0.00 0.00 32.23 31.58 3rpb h LYS 663 CO -0.03 1.31 0.79 0.09 -2.00 0.00 0.00 179.45 179.61 3rpb n ASN 664 N -3.92 6.62 0.00 7.07 3.02 0.12 -4.85 115.26 123.32 3rpb n ASN 664 Ca -0.18 -3.52 0.00 0.00 -0.03 0.00 0.00 54.58 50.86 3rpb n ASN 664 Cb 0.95 -1.20 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 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 0.79 0.00 0.30 3.52 5.02 -0.84 -3.16 118.16 123.79 3rpb n LYS 665 Ca 0.33 0.34 0.12 0.00 -2.02 0.00 0.00 58.31 57.08 3rpb n LYS 665 Cb 0.31 -1.21 0.57 0.00 -0.02 0.00 0.00 35.03 34.68 3rpb n LYS 665 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3rpb h ASP 666 N 0.00 0.00 -2.97 4.39 3.32 -1.86 -3.01 116.42 116.29 3rpb h ASP 666 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 3rpb h ASP 666 Cb 0.00 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.47 3rpb h ASP 666 CO 0.00 0.00 -0.38 -0.54 -1.72 0.00 0.00 179.24 176.60 3rpb s LYS 667 N -4.12 3.85 0.29 3.56 3.01 -1.19 -5.00 119.74 120.15 3rpb s LYS 667 Ca -0.02 0.04 -0.28 0.00 -1.01 0.00 0.00 55.97 54.70 3rpb s LYS 667 Cb 0.07 -3.29 -0.10 0.00 -1.01 0.00 0.00 37.83 33.51 3rpb s LYS 667 CO 0.22 0.56 0.94 0.15 0.51 0.00 0.00 175.35 177.74 3rpb s LYS 668 N -0.49 4.69 0.23 1.68 1.02 -1.26 -4.62 119.74 120.99 3rpb s LYS 668 Ca 0.16 1.39 0.08 0.00 0.02 0.00 0.00 55.97 57.63 3rpb s LYS 668 Cb -0.13 -2.98 -0.04 0.00 -0.52 0.00 0.00 37.83 34.16 3rpb s LYS 668 CO 0.05 0.37 0.03 0.42 -0.92 0.00 0.00 175.35 175.30 3rpb s ILE 669 N -1.46 3.69 -0.28 2.17 1.01 0.70 -4.95 121.20 122.08 3rpb s ILE 669 Ca 0.47 -1.67 -0.13 0.00 0.00 0.00 0.00 60.65 59.32 3rpb s ILE 669 Cb -0.21 -2.94 0.10 0.00 0.01 0.00 0.00 42.46 39.42 3rpb s ILE 669 CO 0.27 -0.28 0.65 -1.61 0.00 0.00 0.00 174.94 173.97 3rpb s GLU 670 N -3.44 0.62 0.19 2.79 2.02 -1.26 -1.50 118.70 118.12 3rpb s GLU 670 Ca 0.30 1.30 -0.15 0.00 0.02 0.00 0.00 54.97 56.45 3rpb s GLU 670 Cb -0.08 0.46 0.01 0.00 0.10 0.00 0.00 34.13 34.63 3rpb s GLU 670 CO 0.20 -0.18 0.46 1.03 0.02 0.00 0.00 175.26 176.79 3rpb s ARG 671 N 2.22 1.34 -0.16 1.61 1.81 -0.55 -5.00 118.95 120.22 3rpb s ARG 671 Ca -0.08 -0.99 -0.06 0.00 -1.72 0.00 0.00 55.73 52.88 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 -0.55 0.05 -1.58 -0.68 0.00 0.00 175.30 172.34 3rpb s TRP 672 N -3.91 3.24 -0.12 -0.53 0.52 -1.26 -1.11 118.94 115.76 3rpb s TRP 672 Ca 0.13 0.09 0.02 0.00 0.02 0.00 0.00 56.10 56.36 3rpb s TRP 672 Cb 0.00 -2.00 -0.01 0.00 -1.15 0.00 0.00 33.47 30.31 3rpb s TRP 672 CO -0.01 0.24 -0.18 -1.01 0.02 0.00 0.00 176.95 176.02 3rpb s HIS 673 N 0.01 2.71 -0.57 -1.98 3.76 -0.98 -4.96 115.29 113.28 3rpb s HIS 673 Ca 0.05 -0.85 -0.28 0.00 -0.15 0.00 0.00 55.06 53.83 3rpb s HIS 673 Cb -0.12 -1.79 0.02 0.00 1.11 0.00 0.00 32.58 31.79 3rpb s HIS 673 CO 0.01 -0.32 1.38 -0.65 -0.85 0.00 0.00 174.74 174.31 3rpb s GLN 674 N 0.39 3.33 -0.08 1.40 -0.21 -1.26 -1.74 119.66 121.48 3rpb s GLN 674 Ca -0.14 0.41 -0.41 0.00 0.02 0.00 0.00 55.36 55.25 3rpb s GLN 674 Cb -0.17 -4.11 -0.20 0.00 1.00 0.00 0.00 33.01 29.54 3rpb s GLN 674 CO 0.06 -1.91 1.19 1.28 -2.12 0.00 0.00 175.29 173.80 3rpb n LEU 675 N 9.43 0.39 -4.37 2.90 4.77 -0.40 -4.80 117.00 124.92 3rpb n LEU 675 Ca 0.12 1.16 -0.20 0.00 -0.03 0.00 0.00 56.01 57.06 3rpb n LEU 675 Cb 0.49 -0.94 -0.10 0.00 -2.33 0.00 0.00 43.42 40.54 3rpb n LEU 675 CO 0.71 -1.63 -0.45 -1.10 -1.33 0.00 0.00 177.39 173.60 3rpb s GLN 676 N 0.61 1.39 -0.13 3.23 -0.21 0.66 -4.60 119.66 120.60 3rpb s GLN 676 Ca 0.93 -1.61 -0.18 0.00 0.02 0.00 0.00 55.36 54.51 3rpb s GLN 676 Cb -1.27 -1.24 -0.04 0.00 1.00 0.00 0.00 33.01 31.45 3rpb s GLN 676 CO 0.60 0.21 0.48 1.21 -2.12 0.00 0.00 175.29 175.67 3rpb s ASN 677 N -3.32 6.66 0.05 5.90 3.04 -1.26 0.31 114.94 126.31 3rpb s ASN 677 Ca 0.23 0.79 -0.18 0.00 0.04 0.00 0.00 52.86 53.74 3rpb s ASN 677 Cb -0.02 -2.28 -0.17 0.00 -1.54 0.00 0.00 41.25 37.24 3rpb s ASN 677 CO 0.08 -0.02 1.25 -0.08 -3.04 0.00 0.00 177.10 175.30 3rpb h GLU 678 N 6.81 0.51 -7.38 0.43 4.81 -1.98 -3.46 114.58 114.32 3rpb h GLU 678 Ca -0.40 -0.39 -0.46 0.00 -0.13 0.00 0.00 59.36 57.98 3rpb h GLU 678 Cb 1.18 0.07 0.11 0.00 0.63 0.00 0.00 28.75 30.74 3rpb h GLU 678 CO 0.75 1.01 0.23 0.54 -0.73 0.00 0.00 179.01 180.82 3rpb s ASN 679 N -6.60 3.95 0.00 1.04 2.20 -1.26 -5.22 114.94 109.05 3rpb s ASN 679 Ca -0.13 -0.06 0.00 0.00 -0.94 0.00 0.00 52.86 51.73 3rpb s ASN 679 Cb 0.06 -0.23 0.00 0.00 -2.00 0.00 0.00 41.25 39.08 3rpb s ASN 679 CO 0.82 -2.15 0.00 1.41 -2.94 0.00 0.00 177.10 174.24