#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 1.13 3.07 -0.13 0.00 -0.12 -3.23 105.19 105.91 3rpb n GLY 542 Ca 0.00 -2.15 -0.22 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.41 1.18 -0.13 1.61 1.02 0.72 -0.56 119.74 122.17 3rpb s LYS 543 Ca 0.00 -0.44 -0.00 0.00 0.02 0.00 0.00 55.97 55.54 3rpb s LYS 543 Cb 0.00 -1.10 -0.01 0.00 -0.52 0.00 0.00 37.83 36.20 3rpb s LYS 543 CO 0.00 0.22 -0.13 -1.50 -0.92 0.00 0.00 175.35 173.02 3rpb s ILE 544 N -0.07 3.01 -0.14 2.17 -1.16 -0.71 0.62 121.20 124.92 3rpb s ILE 544 Ca 0.01 -0.68 -0.29 0.00 -0.51 0.00 0.00 60.65 59.18 3rpb s ILE 544 Cb -0.08 -2.26 -0.01 0.00 0.61 0.00 0.00 42.46 40.73 3rpb s ILE 544 CO 0.00 0.52 1.03 -0.22 -2.81 0.00 0.00 174.94 173.47 3rpb s LEU 545 N 0.40 4.20 -0.08 8.50 2.96 0.49 -1.83 118.68 133.32 3rpb s LEU 545 Ca -0.11 1.51 0.04 0.00 -0.22 0.00 0.00 54.13 55.35 3rpb s LEU 545 Cb -0.16 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 42.98 3rpb s LEU 545 CO 0.05 -0.53 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.65 3rpb s VAL 546 N 2.40 1.88 -0.20 1.68 1.01 0.14 -1.70 120.40 125.61 3rpb s VAL 546 Ca 0.48 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 3rpb s VAL 546 Cb -0.18 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 3rpb s VAL 546 CO 0.15 0.52 -0.07 -0.94 0.00 0.00 0.00 175.10 174.75 3rpb s SER 547 N 0.26 4.13 0.38 3.32 1.04 0.37 -1.36 113.70 121.84 3rpb s SER 547 Ca -0.14 -0.41 0.07 0.00 0.48 0.00 0.00 55.95 55.96 3rpb s SER 547 Cb -0.16 -1.69 -0.00 0.00 0.10 0.00 0.00 66.02 64.26 3rpb s SER 547 CO 0.07 0.01 0.48 -0.76 0.98 0.00 0.00 173.24 174.02 3rpb s LEU 548 N 1.27 3.71 0.00 2.42 1.43 -0.49 0.24 118.68 127.25 3rpb s LEU 548 Ca 0.03 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 3rpb s LEU 548 Cb -0.14 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.53 3rpb s LEU 548 CO -0.03 -0.60 0.00 0.80 0.23 0.00 0.00 176.35 176.75 3rpb n MET 549 N -1.69 0.00 -4.69 1.70 1.56 -0.37 0.16 117.12 113.79 3rpb n MET 549 Ca 0.04 0.00 -0.34 0.00 -0.27 0.00 0.00 57.70 57.13 3rpb n MET 549 Cb 0.59 0.00 -0.12 0.00 2.15 0.00 0.00 33.22 35.84 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 -0.21 2.88 -0.46 1.12 5.04 -1.17 0.25 117.35 124.80 3rpb s TYR 550 Ca 0.00 -0.08 -0.03 0.00 -2.44 0.00 0.00 57.07 54.51 3rpb s TYR 550 Cb 0.00 -1.71 0.12 0.00 0.35 0.00 0.00 41.96 40.72 3rpb s TYR 550 CO 0.00 0.24 0.27 0.45 -1.34 0.00 0.00 175.55 175.17 3rpb s SER 551 N -0.64 5.28 0.31 4.32 0.15 0.43 -2.94 113.70 120.61 3rpb s SER 551 Ca 0.10 -2.22 0.02 0.00 0.70 0.00 0.00 55.95 54.55 3rpb s SER 551 Cb -0.11 -1.85 0.51 0.00 -1.71 0.00 0.00 66.02 62.86 3rpb s SER 551 CO 0.02 -0.51 1.86 0.71 1.20 0.00 0.00 173.24 176.51 3rpb h THR 552 N 6.10 1.21 -0.80 6.45 1.35 -1.95 0.44 112.91 125.70 3rpb h THR 552 Ca -0.11 -0.78 0.17 0.00 -0.55 0.00 0.00 66.41 65.14 3rpb h THR 552 Cb 1.03 0.80 -0.11 0.00 -1.73 0.00 0.00 68.15 68.14 3rpb h THR 552 CO 0.71 0.28 0.31 1.56 -0.25 0.00 0.00 175.52 178.14 3rpb h GLN 553 N 0.64 0.40 0.00 4.72 4.20 -1.94 0.56 115.11 123.69 3rpb h GLN 553 Ca 0.14 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3rpb h GLN 553 Cb 0.30 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.99 3rpb h GLN 553 CO 0.00 0.26 -1.17 1.04 -0.67 0.00 0.00 178.83 178.29 3rpb n GLN 554 N -5.03 0.56 -2.67 1.46 1.13 -0.93 -4.98 117.38 106.91 3rpb n GLN 554 Ca 0.17 0.05 -0.04 0.00 -1.94 0.00 0.00 57.00 55.23 3rpb n GLN 554 Cb 0.50 -1.74 0.01 0.00 0.11 0.00 0.00 30.24 29.12 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 1.22 0.69 3.50 1.08 0.00 0.15 -5.05 105.19 106.78 3rpb n GLY 555 Ca -0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 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 0.66 0.36 -0.02 0.00 -0.70 -4.07 107.32 100.51 3rpb s GLY 556 Ca 0.10 -1.00 0.02 0.00 0.00 0.00 0.00 44.72 43.84 3rpb s GLY 556 CO 0.12 -0.76 0.55 -2.27 0.00 0.00 0.00 173.10 170.74 3rpb s LEU 557 N -3.03 3.94 -0.09 0.66 2.96 -0.42 -0.43 118.68 122.27 3rpb s LEU 557 Ca 0.24 0.26 0.00 0.00 -0.22 0.00 0.00 54.13 54.42 3rpb s LEU 557 Cb 0.01 -3.13 0.02 0.00 0.50 0.00 0.00 46.19 43.59 3rpb s LEU 557 CO 0.08 -0.41 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.00 3rpb s ILE 558 N -2.32 0.98 -0.22 6.68 -1.09 0.70 0.17 121.20 126.10 3rpb s ILE 558 Ca 0.42 -0.30 -0.02 0.00 -2.23 0.00 0.00 60.65 58.52 3rpb s ILE 558 Cb -0.10 -0.98 0.00 0.00 -1.58 0.00 0.00 42.46 39.81 3rpb s ILE 558 CO 0.35 0.35 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.64 3rpb s VAL 559 N 1.38 3.01 -0.25 2.92 1.01 -1.09 -1.24 120.40 126.13 3rpb s VAL 559 Ca -0.02 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 3rpb s VAL 559 Cb -0.14 -2.37 -0.00 0.00 0.00 0.00 0.00 36.38 33.87 3rpb s VAL 559 CO -0.04 0.41 0.01 -0.83 0.00 0.00 0.00 175.10 174.66 3rpb s GLY 560 N 1.41 1.70 -0.66 4.51 0.00 0.65 0.26 107.32 115.18 3rpb s GLY 560 Ca 0.05 -1.30 -0.18 0.00 0.00 0.00 0.00 44.72 43.28 3rpb s GLY 560 CO -0.06 0.54 0.75 -0.42 0.00 0.00 0.00 173.10 173.91 3rpb s ILE 561 N 1.48 4.96 0.00 0.90 -1.09 0.45 0.14 121.20 128.04 3rpb s ILE 561 Ca 0.04 -1.33 0.00 0.00 -2.23 0.00 0.00 60.65 57.13 3rpb s ILE 561 Cb -0.16 -4.51 0.00 0.00 -1.58 0.00 0.00 42.46 36.21 3rpb s ILE 561 CO -0.00 -1.14 0.33 -0.38 -1.23 0.00 0.00 174.94 172.52 3rpb n ILE 562 N 5.28 0.00 -3.83 2.92 -0.00 -0.69 0.20 119.36 123.24 3rpb n ILE 562 Ca -0.03 0.71 -0.08 0.00 -0.00 0.00 0.00 62.75 63.35 3rpb n ILE 562 Cb 0.44 -1.47 0.01 0.00 -0.00 0.00 0.00 39.64 38.62 3rpb n ILE 562 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3rpb s ARG 563 N -1.25 2.11 0.14 0.38 1.70 -1.23 0.26 118.95 121.06 3rpb s ARG 563 Ca 0.00 -1.33 0.05 0.00 -0.47 0.00 0.00 55.73 53.97 3rpb s ARG 563 Cb 0.00 0.62 -0.04 0.00 -0.57 0.00 0.00 34.95 34.95 3rpb s ARG 563 CO 0.00 -0.98 -0.11 0.00 -1.08 0.00 0.00 175.30 173.14 3rpb s VAL 565 N -3.13 0.05 -1.09 0.00 -7.23 0.20 -3.75 120.40 105.44 3rpb s VAL 565 Ca 0.15 -0.39 -0.10 0.00 -1.81 0.00 0.00 61.98 59.83 3rpb s VAL 565 Cb 0.01 -0.26 -0.05 0.00 0.56 0.00 0.00 36.38 36.65 3rpb s VAL 565 CO 0.01 -0.22 0.88 1.57 -0.31 0.00 0.00 175.10 177.03 3rpb n HIS 566 N 2.25 -2.26 -2.86 2.82 -0.00 -1.20 -0.20 115.22 113.77 3rpb n HIS 566 Ca -0.18 0.74 -0.25 0.00 0.46 0.00 0.00 57.72 58.48 3rpb n HIS 566 Cb 0.57 -3.97 0.00 0.00 -0.12 0.00 0.00 29.99 26.48 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 -5.81 3.68 0.47 0.27 1.43 -1.03 -0.95 118.68 116.74 3rpb s LEU 567 Ca 0.43 0.65 -0.19 0.00 -1.03 0.00 0.00 54.13 53.99 3rpb s LEU 567 Cb -0.09 -3.55 -0.10 0.00 0.03 0.00 0.00 46.19 42.49 3rpb s LEU 567 CO 0.78 -0.60 0.96 0.00 0.23 0.00 0.00 176.35 177.73 3rpb s ALA 568 N -2.63 3.06 -0.28 4.21 0.00 -1.20 -4.85 121.76 120.07 3rpb s ALA 568 Ca 0.47 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.73 3rpb s ALA 568 Cb -0.10 -3.13 0.06 0.00 0.00 0.00 0.00 23.12 19.95 3rpb s ALA 568 CO 0.41 -0.04 -0.06 0.00 0.00 0.00 0.00 175.76 176.08 3rpb s ALA 569 N -2.38 2.69 0.13 0.00 0.00 -1.26 -4.30 121.76 116.62 3rpb s ALA 569 Ca 0.60 -1.81 0.04 0.00 0.00 0.00 0.00 51.96 50.80 3rpb s ALA 569 Cb -0.09 -1.75 -0.17 0.00 0.00 0.00 0.00 23.12 21.11 3rpb s ALA 569 CO 0.22 -1.26 1.28 0.52 0.00 0.00 0.00 175.76 176.52 3rpb h MET 570 N 7.86 0.08 -7.09 0.00 2.86 -1.82 -3.43 114.93 113.38 3rpb h MET 570 Ca -0.19 -0.12 -0.52 0.00 -2.06 0.00 0.00 59.70 56.81 3rpb h MET 570 Cb 1.05 0.04 0.10 0.00 0.06 0.00 0.00 31.60 32.85 3rpb h MET 570 CO 0.49 1.01 0.46 -0.51 1.06 0.00 0.00 176.91 179.42 3rpb s ASP 571 N -6.83 5.39 0.00 1.22 1.01 -0.98 -4.89 116.67 111.59 3rpb s ASP 571 Ca -0.01 2.30 0.15 0.00 0.71 0.00 0.00 52.55 55.70 3rpb s ASP 571 Cb 0.10 -2.59 0.75 0.00 1.01 0.00 0.00 42.92 42.18 3rpb s ASP 571 CO 0.83 -1.45 1.41 0.00 0.21 0.00 0.00 175.17 176.17 3rpb n ALA 572 N -1.49 1.83 0.89 5.23 0.00 -1.26 -1.89 120.51 123.83 3rpb n ALA 572 Ca 0.13 -0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.63 3rpb n ALA 572 Cb 0.50 -1.24 0.46 0.00 0.00 0.00 0.00 19.45 19.17 3rpb n ALA 572 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3rpb n ASN 573 N -1.29 0.32 0.00 0.00 2.85 -1.26 -4.91 115.26 110.97 3rpb n ASN 573 Ca 0.07 0.32 0.00 0.00 -0.11 0.00 0.00 54.58 54.86 3rpb n ASN 573 Cb 0.12 -0.33 0.00 0.00 1.24 0.00 0.00 39.78 40.80 3rpb n ASN 573 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3rpb n GLY 574 N 1.45 0.77 0.00 8.20 0.00 -0.79 -5.06 105.19 109.75 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 -2.12 0.00 -3.89 1.61 4.02 -1.26 -4.54 117.16 110.99 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 -0.00 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 -0.87 0.11 -0.55 7.72 0.01 -1.26 -2.31 113.70 116.55 3rpb s SER 576 Ca 0.00 -1.09 0.05 0.00 1.31 0.00 0.00 55.95 56.23 3rpb s SER 576 Cb 0.00 0.77 0.35 0.00 0.21 0.00 0.00 66.02 67.35 3rpb s SER 576 CO 0.00 -1.51 0.97 0.47 0.41 0.00 0.00 173.24 173.58 3rpb n ASP 577 N -1.14 4.46 -4.76 2.44 9.92 -1.25 0.56 116.55 126.78 3rpb n ASP 577 Ca -0.05 -3.68 -0.41 0.00 -0.53 0.00 0.00 54.79 50.12 3rpb n ASP 577 Cb 0.60 -0.55 -0.02 0.00 -0.64 0.00 0.00 41.12 40.52 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 -3.47 4.25 0.12 -0.24 0.04 -1.21 0.23 135.00 134.71 3rpb s PRO 578 Ca 0.49 2.34 0.02 0.00 0.04 0.00 0.00 61.00 63.88 3rpb s PRO 578 Cb 0.30 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.72 3rpb s PRO 578 CO -0.15 -0.40 -0.05 -0.59 0.04 0.00 0.00 177.00 175.86 3rpb s PHE 579 N -0.42 0.96 -0.06 0.56 -0.71 0.10 -1.96 117.98 116.45 3rpb s PHE 579 Ca 0.56 -0.95 0.03 0.00 -1.04 0.00 0.00 56.93 55.53 3rpb s PHE 579 Cb -0.42 -0.55 -0.03 0.00 -1.21 0.00 0.00 43.02 40.81 3rpb s PHE 579 CO 0.49 -0.18 -0.13 0.08 -1.34 0.00 0.00 175.22 174.14 3rpb s VAL 580 N -3.65 3.15 0.10 -2.49 1.01 -1.26 -0.46 120.40 116.79 3rpb s VAL 580 Ca 0.15 -0.68 0.09 0.00 0.00 0.00 0.00 61.98 61.53 3rpb s VAL 580 Cb 0.06 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 3rpb s VAL 580 CO -0.03 0.59 -0.21 -0.54 0.00 0.00 0.00 175.10 174.91 3rpb s LYS 581 N -0.63 1.77 -0.03 2.72 1.02 0.43 0.17 119.74 125.19 3rpb s LYS 581 Ca 0.09 -1.17 0.01 0.00 0.02 0.00 0.00 55.97 54.92 3rpb s LYS 581 Cb -0.11 -2.08 0.02 0.00 -0.52 0.00 0.00 37.83 35.14 3rpb s LYS 581 CO 0.01 0.49 -0.02 -0.51 -0.92 0.00 0.00 175.35 174.40 3rpb s LEU 582 N -1.91 1.40 -0.09 3.17 1.02 -1.06 -0.25 118.68 120.97 3rpb s LEU 582 Ca 0.16 -0.06 -0.03 0.00 0.02 0.00 0.00 54.13 54.22 3rpb s LEU 582 Cb -0.10 -0.27 0.05 0.00 0.02 0.00 0.00 46.19 45.88 3rpb s LEU 582 CO 0.08 -0.05 0.13 0.86 0.02 0.00 0.00 176.35 177.38 3rpb s TRP 583 N 0.73 -0.08 -0.43 0.29 -0.00 -1.09 0.11 118.94 118.47 3rpb s TRP 583 Ca -0.08 0.39 -0.17 0.00 -0.00 0.00 0.00 56.10 56.24 3rpb s TRP 583 Cb -0.11 -0.37 0.03 0.00 -0.00 0.00 0.00 33.47 33.01 3rpb s TRP 583 CO -0.01 -0.29 0.43 -1.17 -0.00 0.00 0.00 176.95 175.91 3rpb s LEU 584 N 2.24 4.99 0.39 5.86 2.96 -1.23 -1.38 118.68 132.51 3rpb s LEU 584 Ca 0.04 -0.80 -0.17 0.00 -0.22 0.00 0.00 54.13 52.98 3rpb s LEU 584 Cb -0.13 -2.34 -0.09 0.00 0.50 0.00 0.00 46.19 44.12 3rpb s LEU 584 CO -0.06 -0.60 0.85 -1.59 -1.32 0.00 0.00 176.35 173.63 3rpb s LYS 585 N 2.08 4.07 0.96 1.98 -2.85 -0.60 -4.32 119.74 121.06 3rpb s LYS 585 Ca 0.11 0.86 -0.16 0.00 -1.00 0.00 0.00 55.97 55.78 3rpb s LYS 585 Cb -0.18 -2.30 0.23 0.00 -2.06 0.00 0.00 37.83 33.52 3rpb s LYS 585 CO 0.12 0.02 1.09 -2.30 0.10 0.00 0.00 175.35 174.39 3rpb n PRO 586 N -0.67 -1.88 -2.46 1.78 -0.02 -1.26 -2.51 135.00 127.97 3rpb n PRO 586 Ca 0.05 -1.71 -0.43 0.00 -2.02 0.00 0.00 63.50 59.39 3rpb n PRO 586 Cb 0.54 -1.31 -0.02 0.00 -0.02 0.00 0.00 33.50 32.68 3rpb n PRO 586 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3rpb s ASP 587 N -4.82 6.53 0.02 2.55 1.47 -1.26 -4.89 116.67 116.27 3rpb s ASP 587 Ca 0.65 0.80 -0.17 0.00 1.18 0.00 0.00 52.55 55.02 3rpb s ASP 587 Cb -0.04 -2.54 -0.35 0.00 -0.34 0.00 0.00 42.92 39.65 3rpb s ASP 587 CO 0.47 -1.27 1.00 0.24 0.68 0.00 0.00 175.17 176.29 3rpb h MET 588 N 9.79 0.53 0.00 2.11 2.86 -1.97 -3.40 114.93 124.85 3rpb h MET 588 Ca -0.25 -0.89 0.00 0.00 -2.06 0.00 0.00 59.70 56.49 3rpb h MET 588 Cb 1.09 0.33 0.00 0.00 0.06 0.00 0.00 31.60 33.08 3rpb h MET 588 CO 1.09 1.43 0.00 0.41 1.06 0.00 0.00 176.91 180.89 3rpb n GLY 589 N 1.69 -1.37 2.58 8.32 0.00 -1.26 -5.00 105.19 110.16 3rpb n GLY 589 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.01 0.00 -0.13 1.61 5.02 -1.26 -4.78 118.16 118.61 3rpb n LYS 590 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 3rpb n LYS 590 Cb 0.40 -0.58 0.30 0.00 -0.02 0.00 0.00 35.03 35.12 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 -1.81 1.86 -0.22 1.97 5.02 -1.26 -4.25 118.16 119.48 3rpb n LYS 591 Ca 0.00 -1.31 0.31 0.00 -2.02 0.00 0.00 58.31 55.29 3rpb n LYS 591 Cb 0.00 -1.38 0.73 0.00 -0.02 0.00 0.00 35.03 34.36 3rpb n LYS 591 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3rpb h ALA 592 N 3.99 2.89 -2.25 7.82 0.00 -1.90 -3.40 119.26 126.41 3rpb h ALA 592 Ca 0.00 -0.03 -0.47 0.00 0.00 0.00 0.00 54.91 54.41 3rpb h ALA 592 Cb 0.54 0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.43 3rpb h ALA 592 CO 0.00 -1.26 0.37 0.15 0.00 0.00 0.00 179.25 178.51 3rpb s LYS 593 N -4.88 3.83 0.31 0.00 1.02 -1.24 -3.56 119.74 115.22 3rpb s LYS 593 Ca -0.05 1.23 0.02 0.00 0.02 0.00 0.00 55.97 57.19 3rpb s LYS 593 Cb 0.21 -2.11 -0.01 0.00 -0.52 0.00 0.00 37.83 35.40 3rpb s LYS 593 CO 0.74 -0.39 0.36 0.72 -0.92 0.00 0.00 175.35 175.87 3rpb n HIS 594 N -1.15 -1.08 -3.64 3.18 8.25 0.30 -4.87 115.22 116.21 3rpb n HIS 594 Ca 0.08 -2.29 -0.07 0.00 -0.26 0.00 0.00 57.72 55.18 3rpb n HIS 594 Cb 0.53 0.40 -0.07 0.00 1.12 0.00 0.00 29.99 31.97 3rpb n HIS 594 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3rpb s LYS 595 N -2.93 0.71 0.56 -0.41 2.36 -1.25 -2.56 119.74 116.21 3rpb s LYS 595 Ca 0.30 1.20 -0.02 0.00 -2.55 0.00 0.00 55.97 54.90 3rpb s LYS 595 Cb 0.00 0.16 0.02 0.00 -1.05 0.00 0.00 37.83 36.96 3rpb s LYS 595 CO 0.22 -0.14 0.81 0.95 1.55 0.00 0.00 175.35 178.73 3rpb s THR 596 N 1.55 3.18 0.52 3.43 -4.23 0.45 -4.95 115.64 115.59 3rpb s THR 596 Ca -0.09 -0.41 -0.19 0.00 -1.18 0.00 0.00 61.69 59.82 3rpb s THR 596 Cb -0.05 -3.23 -0.12 0.00 1.34 0.00 0.00 72.50 70.44 3rpb s THR 596 CO -0.19 -0.19 0.27 0.00 -0.54 0.00 0.00 174.62 173.98 3rpb n GLN 597 N -2.42 0.31 -2.90 3.99 1.13 -1.26 -4.33 117.38 111.90 3rpb n GLN 597 Ca 0.05 0.12 -0.41 0.00 -1.94 0.00 0.00 57.00 54.82 3rpb n GLN 597 Cb 0.59 -1.39 -0.04 0.00 0.11 0.00 0.00 30.24 29.51 3rpb n GLN 597 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3rpb s ILE 598 N -1.79 4.91 -1.20 5.09 -1.09 -1.26 -4.56 121.20 121.29 3rpb s ILE 598 Ca 0.63 1.64 -0.10 0.00 -2.23 0.00 0.00 60.65 60.59 3rpb s ILE 598 Cb -0.49 -4.14 0.20 0.00 -1.58 0.00 0.00 42.46 36.46 3rpb s ILE 598 CO 0.59 0.08 1.55 0.29 -1.23 0.00 0.00 174.94 176.23 3rpb n LYS 599 N 4.86 3.64 -1.60 2.79 4.76 -0.83 -5.00 118.16 126.78 3rpb n LYS 599 Ca 0.04 -3.92 -0.41 0.00 -2.87 0.00 0.00 58.31 51.14 3rpb n LYS 599 Cb 0.49 -2.86 0.01 0.00 -1.84 0.00 0.00 35.03 30.84 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 3.98 1.30 -2.94 1.97 4.76 -1.26 -3.35 118.16 122.62 3rpb n LYS 600 Ca 0.35 0.47 -0.19 0.00 -2.87 0.00 0.00 58.31 56.06 3rpb n LYS 600 Cb 0.39 -2.01 0.01 0.00 -1.84 0.00 0.00 35.03 31.58 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 0.16 -1.05 -3.64 1.97 0.00 -0.79 -4.87 118.16 109.94 3rpb n LYS 601 Ca 0.10 0.64 -0.03 0.00 -0.00 0.00 0.00 58.31 59.02 3rpb n LYS 601 Cb 0.39 -1.28 -0.05 0.00 -0.00 0.00 0.00 35.03 34.08 3rpb n LYS 601 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 3rpb s THR 602 N -1.81 0.00 -0.04 0.58 -1.32 0.19 -4.86 115.64 108.38 3rpb s THR 602 Ca 0.11 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.60 3rpb s THR 602 Cb -0.01 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.96 3rpb s THR 602 CO 0.54 0.00 0.04 0.18 -2.21 0.00 0.00 174.62 173.18 3rpb n LEU 603 N 1.03 0.04 -2.47 9.08 4.77 -1.26 -4.09 117.00 124.10 3rpb n LEU 603 Ca -0.05 -0.37 -0.18 0.00 -0.03 0.00 0.00 56.01 55.38 3rpb n LEU 603 Cb 0.58 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.69 3rpb n LEU 603 CO 0.05 0.01 0.08 0.59 -1.33 0.00 0.00 177.39 176.79 3rpb n ASN 604 N -1.16 3.50 -3.58 -1.43 3.02 -1.26 -2.45 115.26 111.90 3rpb n ASN 604 Ca 0.00 -3.23 -0.27 0.00 -0.03 0.00 0.00 54.58 51.05 3rpb n ASN 604 Cb 0.02 -0.45 0.21 0.00 -0.61 0.00 0.00 39.78 38.95 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 -0.45 -2.11 -3.95 3.52 -0.04 -1.25 -4.85 135.00 125.88 3rpb n PRO 605 Ca 0.28 -1.72 -0.29 0.00 -0.04 0.00 0.00 63.50 61.74 3rpb n PRO 605 Cb 0.79 -1.37 -0.17 0.00 -0.04 0.00 0.00 33.50 32.72 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 -5.44 1.80 -0.11 0.54 2.12 -1.26 -2.95 118.70 113.40 3rpb s GLU 606 Ca 0.66 -0.48 -0.04 0.00 0.36 0.00 0.00 54.97 55.47 3rpb s GLU 606 Cb -0.04 -1.95 -0.01 0.00 0.26 0.00 0.00 34.13 32.38 3rpb s GLU 606 CO 0.49 -0.32 -0.09 0.74 -0.54 0.00 0.00 175.26 175.54 3rpb h PHE 607 N 8.10 0.00 -6.16 5.30 0.04 0.34 -3.48 116.94 121.08 3rpb h PHE 607 Ca -0.31 0.00 -0.44 0.00 2.80 0.00 0.00 57.97 60.03 3rpb h PHE 607 Cb 1.12 0.00 0.03 0.00 2.20 0.00 0.00 35.95 39.30 3rpb h PHE 607 CO 0.47 0.00 -0.80 -1.71 -0.60 0.00 0.00 178.31 175.67 3rpb n ASN 608 N -4.50 -2.48 -4.52 2.17 2.85 0.54 -4.90 115.26 104.41 3rpb n ASN 608 Ca -0.03 -0.80 -0.34 0.00 -0.11 0.00 0.00 54.58 53.29 3rpb n ASN 608 Cb 0.13 -4.01 -0.12 0.00 1.24 0.00 0.00 39.78 37.02 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 -6.21 3.73 -0.33 1.20 2.02 0.18 -4.91 118.70 114.38 3rpb s GLU 609 Ca 0.24 -0.47 -0.11 0.00 0.02 0.00 0.00 54.97 54.64 3rpb s GLU 609 Cb -0.12 -3.06 -0.00 0.00 0.10 0.00 0.00 34.13 31.05 3rpb s GLU 609 CO 0.82 0.16 0.19 -1.21 0.02 0.00 0.00 175.26 175.24 3rpb s GLU 610 N 0.61 3.28 0.59 1.61 2.02 -1.26 0.17 118.70 125.72 3rpb s GLU 610 Ca -0.00 -0.77 0.04 0.00 0.02 0.00 0.00 54.97 54.25 3rpb s GLU 610 Cb -0.14 -3.68 0.07 0.00 0.10 0.00 0.00 34.13 30.48 3rpb s GLU 610 CO 0.02 -0.49 0.81 -0.06 0.02 0.00 0.00 175.26 175.57 3rpb s PHE 611 N 1.64 2.11 -0.11 1.61 0.40 0.72 -4.93 117.98 119.41 3rpb s PHE 611 Ca 0.05 -0.33 -0.04 0.00 -0.60 0.00 0.00 56.93 56.01 3rpb s PHE 611 Cb -0.18 -2.63 0.06 0.00 0.51 0.00 0.00 43.02 40.78 3rpb s PHE 611 CO 0.08 -1.12 0.19 0.12 0.70 0.00 0.00 175.22 175.19 3rpb s PHE 612 N -2.79 -0.25 0.10 0.36 5.36 -1.26 -2.67 117.98 116.82 3rpb s PHE 612 Ca 0.61 0.68 0.01 0.00 -0.96 0.00 0.00 56.93 57.27 3rpb s PHE 612 Cb -0.08 -0.21 -0.04 0.00 -0.34 0.00 0.00 43.02 42.36 3rpb s PHE 612 CO 0.39 -0.32 0.22 0.71 -1.46 0.00 0.00 175.22 174.77 3rpb s TYR 613 N 2.33 3.47 -0.88 10.12 1.51 0.45 -4.93 117.35 129.42 3rpb s TYR 613 Ca 0.03 0.18 0.01 0.00 -1.01 0.00 0.00 57.07 56.28 3rpb s TYR 613 Cb -0.12 -1.71 0.30 0.00 -0.11 0.00 0.00 41.96 40.31 3rpb s TYR 613 CO -0.07 0.56 1.24 -3.47 -1.11 0.00 0.00 175.55 172.70 3rpb n ASP 614 N -0.02 5.52 -4.07 2.29 -0.08 -1.26 -1.30 116.55 117.63 3rpb n ASP 614 Ca -0.06 -3.49 -0.19 0.00 -1.51 0.00 0.00 54.79 49.53 3rpb n ASP 614 Cb 0.52 -0.99 -0.14 0.00 2.34 0.00 0.00 41.12 42.85 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 -3.09 0.87 0.08 5.18 1.10 -1.26 -4.99 121.20 119.09 3rpb s ILE 615 Ca 0.37 -0.64 -0.31 0.00 -0.51 0.00 0.00 60.65 59.56 3rpb s ILE 615 Cb 0.12 -0.76 -0.06 0.00 0.15 0.00 0.00 42.46 41.91 3rpb s ILE 615 CO 0.01 0.12 1.27 -0.54 -2.11 0.00 0.00 174.94 173.69 3rpb s LYS 616 N -0.59 4.39 0.28 3.50 1.02 -1.26 -3.90 119.74 123.19 3rpb s LYS 616 Ca 0.02 1.88 -0.02 0.00 0.02 0.00 0.00 55.97 57.87 3rpb s LYS 616 Cb -0.05 -3.31 0.61 0.00 -0.52 0.00 0.00 37.83 34.55 3rpb s LYS 616 CO 0.00 -0.32 1.60 1.25 -0.92 0.00 0.00 175.35 176.96 3rpb h HIS 617 N 6.81 -0.08 -0.15 3.18 -0.00 -1.93 1.72 115.15 124.70 3rpb h HIS 617 Ca -0.42 0.07 0.04 0.00 -0.00 0.00 0.00 60.37 60.06 3rpb h HIS 617 Cb 1.21 0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 28.80 3rpb h HIS 617 CO 0.67 -0.35 0.30 1.03 -0.00 0.00 0.00 177.93 179.57 3rpb h SER 618 N 0.05 0.00 0.00 3.26 0.87 -2.00 -0.14 113.55 115.59 3rpb h SER 618 Ca 0.52 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.77 3rpb h SER 618 Cb 0.99 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.89 3rpb h SER 618 CO -0.83 0.00 -2.27 0.47 -0.53 0.00 0.00 176.83 173.67 3rpb n ASP 619 N -3.32 0.27 -0.08 6.23 8.00 0.55 -4.62 116.55 123.59 3rpb n ASP 619 Ca 0.01 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.49 3rpb n ASP 619 Cb 0.40 1.09 -0.02 0.00 -0.02 0.00 0.00 41.12 42.57 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 -2.65 -0.19 -0.35 0.64 4.77 0.89 0.50 117.00 120.60 3rpb n LEU 620 Ca -0.28 0.87 0.09 0.00 -0.03 0.00 0.00 56.01 56.67 3rpb n LEU 620 Cb 1.06 -0.32 0.20 0.00 -2.33 0.00 0.00 43.42 42.03 3rpb n LEU 620 CO 0.41 -0.54 0.71 0.00 -1.33 0.00 0.00 177.39 176.64 3rpb n ALA 621 N -2.91 0.34 0.31 -1.18 0.00 -1.24 0.27 120.51 116.10 3rpb n ALA 621 Ca 0.00 1.08 0.13 0.00 0.00 0.00 0.00 53.44 54.66 3rpb n ALA 621 Cb 0.05 -0.70 0.61 0.00 0.00 0.00 0.00 19.45 19.41 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 -7.61 0.00 6.56 -0.22 -2.96 116.57 112.34 3rpb h LYS 622 Ca 0.53 0.00 -0.45 0.00 -1.06 0.00 0.00 60.65 59.66 3rpb h LYS 622 Cb 0.92 0.00 0.14 0.00 -0.57 0.00 0.00 32.23 32.73 3rpb h LYS 622 CO -0.99 0.00 0.33 0.15 -2.06 0.00 0.00 179.45 176.89 3rpb s LYS 623 N -3.51 0.77 -0.24 3.15 -0.14 0.78 -4.86 119.74 115.68 3rpb s LYS 623 Ca 0.01 -0.02 -0.03 0.00 -1.36 0.00 0.00 55.97 54.57 3rpb s LYS 623 Cb 0.09 -1.82 0.13 0.00 -1.68 0.00 0.00 37.83 34.54 3rpb s LYS 623 CO 0.36 -2.39 0.36 -1.54 -0.76 0.00 0.00 175.35 171.38 3rpb s SER 624 N -4.39 0.43 0.43 2.83 1.04 -1.05 -3.74 113.70 109.26 3rpb s SER 624 Ca 0.68 0.12 -0.21 0.00 0.48 0.00 0.00 55.95 57.02 3rpb s SER 624 Cb -0.10 1.00 -0.11 0.00 0.10 0.00 0.00 66.02 66.92 3rpb s SER 624 CO 0.53 -0.31 0.95 -0.22 0.98 0.00 0.00 173.24 175.17 3rpb s LEU 625 N 2.51 3.95 -0.36 2.42 2.96 0.46 -1.55 118.68 129.07 3rpb s LEU 625 Ca 0.12 1.70 0.00 0.00 -0.22 0.00 0.00 54.13 55.74 3rpb s LEU 625 Cb -0.15 -4.52 0.12 0.00 0.50 0.00 0.00 46.19 42.13 3rpb s LEU 625 CO -0.16 -0.36 0.16 -0.62 -1.32 0.00 0.00 176.35 174.05 3rpb s ASP 626 N -2.15 3.77 -0.62 3.68 2.15 -0.48 0.21 116.67 123.23 3rpb s ASP 626 Ca 0.62 -2.07 -0.23 0.00 0.43 0.00 0.00 52.55 51.30 3rpb s ASP 626 Cb -0.10 -0.87 0.06 0.00 -0.30 0.00 0.00 42.92 41.71 3rpb s ASP 626 CO 0.14 -0.35 0.94 -0.63 -0.17 0.00 0.00 175.17 175.10 3rpb s ILE 627 N 1.08 4.36 -0.08 4.11 1.09 -0.24 -2.67 121.20 128.86 3rpb s ILE 627 Ca 0.14 -0.20 0.01 0.00 -1.10 0.00 0.00 60.65 59.50 3rpb s ILE 627 Cb -0.21 -4.63 -0.02 0.00 -1.06 0.00 0.00 42.46 36.54 3rpb s ILE 627 CO -0.13 -1.34 -0.11 -0.44 -0.10 0.00 0.00 174.94 172.83 3rpb s SER 628 N 3.42 4.27 -0.19 3.58 0.01 0.66 -0.68 113.70 124.77 3rpb s SER 628 Ca 0.24 -0.17 -0.05 0.00 1.31 0.00 0.00 55.95 57.28 3rpb s SER 628 Cb -0.16 -1.21 -0.02 0.00 0.21 0.00 0.00 66.02 64.84 3rpb s SER 628 CO 0.13 0.29 -0.01 -0.69 0.41 0.00 0.00 173.24 173.36 3rpb s VAL 629 N -0.39 3.89 0.10 3.43 1.01 0.27 0.16 120.40 128.88 3rpb s VAL 629 Ca 0.05 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 61.78 3rpb s VAL 629 Cb -0.12 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 3rpb s VAL 629 CO 0.02 0.44 -0.23 0.26 0.00 0.00 0.00 175.10 175.60 3rpb s TRP 630 N 0.86 1.93 -0.49 5.22 0.52 0.39 -1.19 118.94 126.19 3rpb s TRP 630 Ca 0.00 -0.41 -0.26 0.00 0.02 0.00 0.00 56.10 55.45 3rpb s TRP 630 Cb -0.14 -1.06 0.03 0.00 -1.15 0.00 0.00 33.47 31.15 3rpb s TRP 630 CO 0.02 0.23 1.00 0.34 0.02 0.00 0.00 176.95 178.56 3rpb s ASP 631 N -1.89 6.50 0.81 2.95 2.15 0.51 0.01 116.67 127.71 3rpb s ASP 631 Ca 0.08 0.12 -0.11 0.00 0.43 0.00 0.00 52.55 53.08 3rpb s ASP 631 Cb -0.10 -2.48 0.08 0.00 -0.30 0.00 0.00 42.92 40.12 3rpb s ASP 631 CO 0.04 -1.16 1.09 -0.47 -0.17 0.00 0.00 175.17 174.50 3rpb s TYR 632 N 4.05 2.51 -0.28 -5.34 6.14 0.62 -1.73 117.35 123.31 3rpb s TYR 632 Ca 0.39 1.45 -0.16 0.00 0.64 0.00 0.00 57.07 59.39 3rpb s TYR 632 Cb -0.10 -3.08 0.08 0.00 0.42 0.00 0.00 41.96 39.28 3rpb s TYR 632 CO 0.26 -1.97 0.70 -0.51 0.64 0.00 0.00 175.55 174.67 3rpb s ASP 633 N -3.42 -0.93 -0.03 4.32 1.11 -1.25 -4.12 116.67 112.35 3rpb s ASP 633 Ca 0.62 1.51 -0.20 0.00 0.18 0.00 0.00 52.55 54.65 3rpb s ASP 633 Cb -0.17 1.39 -0.05 0.00 1.07 0.00 0.00 42.92 45.16 3rpb s ASP 633 CO 0.56 -0.24 0.57 0.27 1.18 0.00 0.00 175.17 177.51 3rpb s ILE 634 N 1.59 4.97 0.00 0.77 -0.00 -1.26 -3.85 121.20 123.42 3rpb s ILE 634 Ca -0.10 1.18 0.00 0.00 -0.00 0.00 0.00 60.65 61.74 3rpb s ILE 634 Cb -0.05 -3.91 0.00 0.00 -0.00 0.00 0.00 42.46 38.50 3rpb s ILE 634 CO -0.19 0.40 0.00 0.61 -0.00 0.00 0.00 174.94 175.76 3rpb n GLY 635 N 2.60 2.78 0.00 6.27 0.00 -1.26 -4.95 105.19 110.62 3rpb n GLY 635 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.89 -0.01 1.61 5.02 -1.25 -5.17 118.16 117.24 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 -1.95 0.00 -0.82 4.39 7.64 -1.26 -4.74 113.62 116.88 3rpb n SER 637 Ca 0.00 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.65 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 -0.46 -3.01 0.00 0.00 175.04 171.57 3rpb n ASN 638 N -0.69 1.76 -3.65 6.43 6.94 -1.26 -3.83 115.26 120.96 3rpb n ASN 638 Ca 0.00 -0.41 -0.13 0.00 -0.02 0.00 0.00 54.58 54.02 3rpb n ASN 638 Cb 0.00 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.34 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 0.04 -0.71 -0.20 0.53 1.11 -0.70 -4.95 116.67 111.79 3rpb s ASP 639 Ca 0.00 1.33 -0.29 0.00 0.18 0.00 0.00 52.55 53.77 3rpb s ASP 639 Cb 0.00 1.32 0.00 0.00 1.07 0.00 0.00 42.92 45.32 3rpb s ASP 639 CO 0.00 -0.23 1.06 -0.47 1.18 0.00 0.00 175.17 176.71 3rpb s TYR 640 N 0.57 3.33 -0.19 4.23 5.04 -1.26 0.19 117.35 129.27 3rpb s TYR 640 Ca -0.02 1.45 0.07 0.00 -2.44 0.00 0.00 57.07 56.13 3rpb s TYR 640 Cb -0.05 -3.28 -0.22 0.00 0.35 0.00 0.00 41.96 38.77 3rpb s TYR 640 CO -0.03 -0.55 0.10 -0.89 -1.34 0.00 0.00 175.55 172.84 3rpb n ILE 641 N 5.15 1.53 0.00 3.14 5.41 -0.33 -4.85 119.36 129.41 3rpb n ILE 641 Ca 0.11 -0.71 0.00 0.00 1.00 0.00 0.00 62.75 63.16 3rpb n ILE 641 Cb 0.46 -1.12 0.00 0.00 -0.71 0.00 0.00 39.64 38.28 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 1.95 3.96 0.00 7.39 0.00 -0.63 -4.62 105.19 113.24 3rpb n GLY 642 Ca -0.35 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.63 1.80 3.82 -0.02 0.00 -0.57 0.97 105.19 109.57 3rpb n GLY 643 Ca 0.00 -0.82 -0.07 0.00 0.00 0.00 0.00 46.02 45.13 3rpb n GLY 643 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3rpb s GLN 645 N -2.33 1.50 -0.29 0.00 -2.07 -1.26 -1.08 119.66 114.13 3rpb s GLN 645 Ca 0.17 -0.84 0.00 0.00 -1.82 0.00 0.00 55.36 52.87 3rpb s GLN 645 Cb -0.05 -1.54 0.09 0.00 -1.09 0.00 0.00 33.01 30.43 3rpb s GLN 645 CO 0.10 0.41 0.05 -0.51 -1.32 0.00 0.00 175.29 174.02 3rpb s LEU 646 N -0.86 2.64 -0.07 2.60 1.43 0.57 -4.92 118.68 120.08 3rpb s LEU 646 Ca 0.08 -1.55 -0.13 0.00 -1.03 0.00 0.00 54.13 51.50 3rpb s LEU 646 Cb -0.08 -1.04 0.03 0.00 0.03 0.00 0.00 46.19 45.13 3rpb s LEU 646 CO 0.01 -0.36 0.31 -0.83 0.23 0.00 0.00 176.35 175.70 3rpb s GLY 647 N 1.47 -0.18 0.32 -3.19 0.00 -1.26 0.17 107.32 104.65 3rpb s GLY 647 Ca 0.06 0.59 0.19 0.00 0.00 0.00 0.00 44.72 45.55 3rpb s GLY 647 CO -0.16 0.42 1.53 4.51 0.00 0.00 0.00 173.10 179.40 3rpb n ILE 648 N 2.09 0.91 1.91 0.90 3.06 -1.12 0.24 119.36 127.35 3rpb n ILE 648 Ca -0.17 0.74 0.08 0.00 -2.50 0.00 0.00 62.75 60.89 3rpb n ILE 648 Cb 0.57 -1.74 0.44 0.00 0.54 0.00 0.00 39.64 39.45 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 -2.18 0.19 -4.95 9.51 2.88 -1.26 -4.84 113.62 112.98 3rpb n SER 649 Ca -0.01 -1.55 -0.24 0.00 -1.33 0.00 0.00 58.87 55.73 3rpb n SER 649 Cb 0.13 -0.01 0.04 0.00 -0.75 0.00 0.00 64.21 63.62 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 -1.97 3.51 -0.06 -1.46 0.00 0.14 -5.10 121.76 116.82 3rpb s ALA 650 Ca 0.24 -1.05 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 3rpb s ALA 650 Cb 0.11 -2.36 0.03 0.00 0.00 0.00 0.00 23.12 20.90 3rpb s ALA 650 CO 0.18 -0.92 0.14 -1.59 0.00 0.00 0.00 175.76 173.57 3rpb s LYS 651 N -4.96 0.11 0.00 0.00 0.00 -1.26 -4.56 119.74 109.07 3rpb s LYS 651 Ca 0.57 0.32 0.00 0.00 0.00 0.00 0.00 55.97 56.85 3rpb s LYS 651 Cb -0.10 -0.11 0.00 0.00 0.00 0.00 0.00 37.83 37.62 3rpb s LYS 651 CO 0.42 -0.12 0.00 0.41 0.00 0.00 0.00 175.35 176.05 3rpb n GLY 652 N 3.87 2.04 0.13 0.59 0.00 -1.26 -4.78 105.19 105.78 3rpb n GLY 652 Ca -0.23 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3rpb n GLY 652 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3rpb n GLU 653 N 0.00 0.00 -0.34 1.61 1.02 -1.26 -4.82 120.64 116.84 3rpb n GLU 653 Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 3rpb n GLU 653 Cb 0.00 -0.51 0.27 0.00 -0.02 0.00 0.00 31.44 31.18 3rpb n GLU 653 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3rpb h ARG 654 N 0.00 0.80 -0.56 3.49 3.08 -1.92 0.17 114.38 119.44 3rpb h ARG 654 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3rpb h ARG 654 Cb 0.08 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 3rpb h ARG 654 CO 0.00 0.53 0.37 1.25 -1.07 0.00 0.00 179.97 181.04 3rpb h LEU 655 N 0.82 0.64 0.04 3.04 5.85 -1.80 0.46 115.31 124.35 3rpb h LEU 655 Ca 0.53 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.23 3rpb h LEU 655 Cb 0.70 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3rpb h LEU 655 CO -0.34 0.47 -0.02 0.11 -0.34 0.00 0.00 178.44 178.32 3rpb h LYS 656 N 0.75 -0.05 0.54 1.25 1.57 -0.99 -1.34 116.57 118.32 3rpb h LYS 656 Ca 0.20 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 3rpb h LYS 656 Cb -0.08 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.24 3rpb h LYS 656 CO -0.04 0.13 -0.26 1.25 -0.57 0.00 0.00 179.45 179.95 3rpb h HIS 657 N -0.22 -0.68 0.00 -1.35 2.76 -1.08 -2.77 115.15 111.82 3rpb h HIS 657 Ca -0.01 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 3rpb h HIS 657 Cb 0.20 0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.38 3rpb h HIS 657 CO -0.02 -0.42 0.00 1.87 -1.30 0.00 0.00 177.93 178.06 3rpb n TRP 658 N -4.55 0.00 -0.16 5.26 -0.00 0.12 -2.54 117.44 115.55 3rpb n TRP 658 Ca -0.09 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.37 3rpb n TRP 658 Cb 0.29 0.00 -0.04 0.00 -0.00 0.00 0.00 31.31 31.56 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 -0.17 -0.57 5.87 4.19 -0.50 0.19 117.16 125.70 3rpb n TYR 659 Ca 0.00 0.49 0.46 0.00 3.31 0.00 0.00 57.90 62.16 3rpb n TYR 659 Cb 0.00 -0.46 0.77 0.00 0.49 0.00 0.00 39.34 40.14 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 0.02 -0.77 2.98 4.11 -1.53 2.19 114.58 121.58 3rpb h GLU 660 Ca 0.06 -0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.55 3rpb h GLU 660 Cb 0.16 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 3rpb h GLU 660 CO -0.37 0.01 0.47 0.00 0.07 0.00 0.00 179.01 179.19 3rpb h LEU 662 N 0.87 0.00 0.07 0.00 4.07 0.36 0.10 115.31 120.78 3rpb h LEU 662 Ca 0.33 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 58.14 3rpb h LEU 662 Cb 0.14 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.88 3rpb h LEU 662 CO -0.16 0.03 -0.78 0.07 -1.08 0.00 0.00 178.44 176.52 3rpb h LYS 663 N 0.00 0.14 -2.20 1.13 2.10 -0.54 -3.37 116.57 113.82 3rpb h LYS 663 Ca -0.00 -0.24 -0.74 0.00 -2.00 0.00 0.00 60.65 57.68 3rpb h LYS 663 Cb 0.05 0.09 -0.32 0.00 -0.90 0.00 0.00 32.23 31.15 3rpb h LYS 663 CO 0.00 1.11 0.52 0.09 -2.00 0.00 0.00 179.45 179.18 3rpb n ASN 664 N -4.28 6.51 0.00 7.07 3.02 0.22 -4.87 115.26 122.93 3rpb n ASN 664 Ca -0.19 -3.71 0.00 0.00 -0.03 0.00 0.00 54.58 50.66 3rpb n ASN 664 Cb 0.71 -0.97 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 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 -0.18 0.00 -0.40 3.52 5.02 0.32 -2.38 118.16 124.06 3rpb n LYS 665 Ca 0.43 0.40 0.36 0.00 -2.02 0.00 0.00 58.31 57.48 3rpb n LYS 665 Cb 0.31 -1.34 0.56 0.00 -0.02 0.00 0.00 35.03 34.53 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 -1.62 0.00 -4.83 4.39 9.92 -1.15 -3.02 116.55 120.23 3rpb n ASP 666 Ca 0.00 0.79 -0.37 0.00 -0.53 0.00 0.00 54.79 54.68 3rpb n ASP 666 Cb 0.00 -0.34 -0.06 0.00 -0.64 0.00 0.00 41.12 40.08 3rpb n ASP 666 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 3rpb s LYS 667 N -4.44 3.72 0.22 -1.24 -2.85 -1.00 -4.96 119.74 109.19 3rpb s LYS 667 Ca -0.03 -0.06 -0.25 0.00 -1.00 0.00 0.00 55.97 54.63 3rpb s LYS 667 Cb 0.18 -3.26 -0.09 0.00 -2.06 0.00 0.00 37.83 32.60 3rpb s LYS 667 CO 0.60 0.62 0.82 -1.59 0.10 0.00 0.00 175.35 175.91 3rpb s LYS 668 N -0.62 4.53 0.39 1.78 0.00 -1.26 -4.59 119.74 119.98 3rpb s LYS 668 Ca 0.15 1.17 0.08 0.00 0.00 0.00 0.00 55.97 57.36 3rpb s LYS 668 Cb -0.12 -3.07 -0.03 0.00 0.00 0.00 0.00 37.83 34.60 3rpb s LYS 668 CO 0.04 0.46 0.28 0.42 0.00 0.00 0.00 175.35 176.55 3rpb s ILE 669 N -1.34 2.73 -0.25 3.79 1.01 0.42 -4.92 121.20 122.64 3rpb s ILE 669 Ca 0.41 -1.49 -0.19 0.00 0.00 0.00 0.00 60.65 59.38 3rpb s ILE 669 Cb -0.21 -3.02 0.07 0.00 0.01 0.00 0.00 42.46 39.31 3rpb s ILE 669 CO 0.25 -0.05 0.64 -1.61 0.00 0.00 0.00 174.94 174.18 3rpb s GLU 670 N -4.01 0.71 0.01 2.79 2.02 -1.26 -1.40 118.70 117.56 3rpb s GLU 670 Ca 0.44 1.00 -0.28 0.00 0.02 0.00 0.00 54.97 56.15 3rpb s GLU 670 Cb -0.02 0.26 0.09 0.00 0.10 0.00 0.00 34.13 34.56 3rpb s GLU 670 CO 0.26 -0.12 0.78 -0.98 0.02 0.00 0.00 175.26 175.22 3rpb s ARG 671 N 0.87 0.97 -0.11 1.61 1.04 -0.46 -4.99 118.95 117.88 3rpb s ARG 671 Ca -0.04 -0.17 -0.12 0.00 -1.04 0.00 0.00 55.73 54.36 3rpb s ARG 671 Cb -0.05 0.45 -0.05 0.00 -2.04 0.00 0.00 34.95 33.26 3rpb s ARG 671 CO -0.07 -0.39 0.27 -1.58 -0.04 0.00 0.00 175.30 173.49 3rpb s TRP 672 N -2.61 3.57 -0.12 5.89 0.52 -1.26 -0.69 118.94 124.24 3rpb s TRP 672 Ca -0.00 0.66 0.01 0.00 0.02 0.00 0.00 56.10 56.79 3rpb s TRP 672 Cb -0.01 -2.21 -0.01 0.00 -1.15 0.00 0.00 33.47 30.09 3rpb s TRP 672 CO -0.05 0.48 -0.15 -1.01 0.02 0.00 0.00 176.95 176.24 3rpb s HIS 673 N -0.35 2.76 -0.40 -1.98 3.76 -0.76 -4.96 115.29 113.36 3rpb s HIS 673 Ca 0.17 -0.72 -0.29 0.00 -0.15 0.00 0.00 55.06 54.08 3rpb s HIS 673 Cb -0.14 -1.81 0.02 0.00 1.11 0.00 0.00 32.58 31.76 3rpb s HIS 673 CO 0.06 -0.25 1.25 1.14 -0.85 0.00 0.00 174.74 176.09 3rpb s GLN 674 N 0.33 3.77 0.31 1.40 -2.07 -1.26 -1.73 119.66 120.39 3rpb s GLN 674 Ca -0.12 0.89 -0.30 0.00 -1.82 0.00 0.00 55.36 54.01 3rpb s GLN 674 Cb -0.16 -3.91 -0.12 0.00 -1.09 0.00 0.00 33.01 27.73 3rpb s GLN 674 CO 0.06 -1.32 1.56 1.28 -1.32 0.00 0.00 175.29 175.55 3rpb n LEU 675 N 7.96 4.35 -4.37 2.60 4.77 0.28 -4.77 117.00 127.81 3rpb n LEU 675 Ca 0.14 1.16 -0.19 0.00 -0.03 0.00 0.00 56.01 57.09 3rpb n LEU 675 Cb 0.48 -1.59 -0.10 0.00 -2.33 0.00 0.00 43.42 39.88 3rpb n LEU 675 CO 0.68 0.10 -0.41 -1.10 -1.33 0.00 0.00 177.39 175.33 3rpb s GLN 676 N -0.83 1.41 -0.90 3.23 -1.52 -0.26 -4.63 119.66 116.15 3rpb s GLN 676 Ca 0.62 -1.67 -0.00 0.00 -1.95 0.00 0.00 55.36 52.36 3rpb s GLN 676 Cb -0.50 -1.10 0.28 0.00 -0.22 0.00 0.00 33.01 31.46 3rpb s GLN 676 CO 0.52 0.12 1.15 0.09 -0.25 0.00 0.00 175.29 176.92 3rpb n ASN 677 N -0.46 5.26 0.00 5.90 3.02 -1.26 -1.52 115.26 126.21 3rpb n ASN 677 Ca -0.07 -3.40 0.00 0.00 -0.03 0.00 0.00 54.58 51.08 3rpb n ASN 677 Cb 0.62 -1.03 0.00 0.00 -0.61 0.00 0.00 39.78 38.75 3rpb n ASN 677 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3rpb n GLU 678 N 1.23 0.00 0.00 3.52 4.71 -1.26 -4.97 120.64 123.87 3rpb n GLU 678 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.42 3rpb n GLU 678 Cb 0.36 -0.30 0.00 0.00 -1.01 0.00 0.00 31.44 30.49 3rpb n GLU 678 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 3rpb n ASN 679 N 0.00 0.00 0.00 1.62 2.85 -1.26 -5.22 115.26 113.25 3rpb n ASN 679 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3rpb n ASN 679 Cb 0.00 0.06 0.00 0.00 1.24 0.00 0.00 39.78 41.08 3rpb n ASN 679 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72