#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g5b n GLY 542 N 0.00 0.95 1.57 -1.23 0.00 -1.26 -3.08 105.19 102.14 3g5b n GLY 542 Ca 0.00 -0.40 0.09 0.00 0.00 0.00 0.00 46.02 45.72 3g5b n GLY 542 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g5b n SER 543 N 0.50 4.67 -3.96 1.61 3.41 -1.26 -4.87 113.62 113.72 3g5b n SER 543 Ca 0.12 -2.43 -0.11 0.00 -0.26 0.00 0.00 58.87 56.19 3g5b n SER 543 Cb 0.37 -0.58 -0.12 0.00 -0.26 0.00 0.00 64.21 63.63 3g5b n SER 543 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3g5b s SER 544 N -0.88 0.29 0.19 4.04 1.04 -1.18 -1.38 113.70 115.82 3g5b s SER 544 Ca 0.50 -0.32 0.04 0.00 0.48 0.00 0.00 55.95 56.65 3g5b s SER 544 Cb 0.32 0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.44 3g5b s SER 544 CO 0.24 -0.16 -0.04 0.68 0.98 0.00 0.00 173.24 174.94 3g5b s VAL 545 N -0.89 1.02 0.08 5.02 -7.23 -0.09 -4.94 120.40 113.36 3g5b s VAL 545 Ca -0.09 -2.03 -0.08 0.00 -1.81 0.00 0.00 61.98 57.97 3g5b s VAL 545 Cb -0.06 -2.13 -0.01 0.00 0.56 0.00 0.00 36.38 34.74 3g5b s VAL 545 CO -0.00 -0.50 0.16 -0.94 -0.31 0.00 0.00 175.10 173.51 3g5b s SER 546 N -3.23 0.16 0.16 4.85 1.04 -1.26 -0.82 113.70 114.60 3g5b s SER 546 Ca 0.23 -0.67 -0.24 0.00 0.48 0.00 0.00 55.95 55.75 3g5b s SER 546 Cb 0.05 0.32 0.06 0.00 0.10 0.00 0.00 66.02 66.54 3g5b s SER 546 CO 0.05 -0.70 0.80 -0.83 0.98 0.00 0.00 173.24 173.54 3g5b s GLY 547 N -2.80 -0.31 -0.13 7.32 0.00 -0.21 -4.95 107.32 106.24 3g5b s GLY 547 Ca 0.04 0.24 -0.01 0.00 0.00 0.00 0.00 44.72 44.99 3g5b s GLY 547 CO -0.10 0.07 -0.11 -1.59 0.00 0.00 0.00 173.10 171.37 3g5b s THR 548 N -3.53 3.23 0.04 0.90 2.01 -1.26 -0.02 115.64 117.02 3g5b s THR 548 Ca 0.08 -0.60 0.04 0.00 0.31 0.00 0.00 61.69 61.53 3g5b s THR 548 Cb -0.03 -2.37 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 3g5b s THR 548 CO -0.02 0.52 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.95 3g5b s PHE 549 N 0.33 1.06 0.00 4.92 0.08 0.30 -4.94 117.98 119.73 3g5b s PHE 549 Ca -0.09 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.58 3g5b s PHE 549 Cb -0.15 -0.62 0.00 0.00 -0.57 0.00 0.00 43.02 41.67 3g5b s PHE 549 CO 0.05 0.01 0.00 0.41 -0.10 0.00 0.00 175.22 175.60 3g5b n GLY 550 N 1.79 4.44 0.16 4.36 0.00 -1.26 -0.43 105.19 114.25 3g5b n GLY 550 Ca -0.19 -2.09 0.12 0.00 0.00 0.00 0.00 46.02 43.86 3g5b n GLY 550 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5b n LEU 552 N -2.34 0.25 0.00 0.00 4.77 -1.26 0.15 117.00 118.56 3g5b n LEU 552 Ca 0.01 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 3g5b n LEU 552 Cb 0.16 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3g5b n LEU 552 CO 0.17 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 3g5b n GLY 553 N 1.20 0.15 0.00 -0.72 0.00 0.37 -3.89 105.19 102.30 3g5b n GLY 553 Ca 0.06 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3g5b n GLY 553 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g5b n GLY 554 N 0.00 -0.39 2.94 -0.02 0.00 0.67 -1.01 105.19 107.38 3g5b n GLY 554 Ca 0.00 -1.62 -0.18 0.00 0.00 0.00 0.00 46.02 44.22 3g5b n GLY 554 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3g5b s ARG 555 N -1.79 0.65 -0.10 1.61 3.52 0.78 0.15 118.95 123.77 3g5b s ARG 555 Ca 0.00 -0.17 -0.02 0.00 -0.13 0.00 0.00 55.73 55.41 3g5b s ARG 555 Cb 0.00 -0.65 -0.03 0.00 -1.56 0.00 0.00 34.95 32.71 3g5b s ARG 555 CO 0.00 0.04 -0.03 -1.17 -0.81 0.00 0.00 175.30 173.33 3g5b s LEU 556 N 0.33 3.36 -0.04 -0.88 2.96 0.14 -1.28 118.68 123.28 3g5b s LEU 556 Ca -0.04 0.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.86 3g5b s LEU 556 Cb -0.08 -1.77 0.02 0.00 0.50 0.00 0.00 46.19 44.86 3g5b s LEU 556 CO -0.00 0.31 0.10 -0.89 -1.32 0.00 0.00 176.35 174.54 3g5b s THR 557 N -0.47 -0.03 -0.54 3.68 2.01 0.47 -0.26 115.64 120.49 3g5b s THR 557 Ca 0.08 0.12 -0.19 0.00 0.31 0.00 0.00 61.69 62.00 3g5b s THR 557 Cb -0.12 -0.16 0.08 0.00 0.01 0.00 0.00 72.50 72.31 3g5b s THR 557 CO 0.02 0.05 0.66 -0.63 -0.69 0.00 0.00 174.62 174.03 3g5b s ILE 558 N 0.69 4.85 0.28 1.82 1.01 -0.87 -4.38 121.20 124.61 3g5b s ILE 558 Ca -0.05 -0.71 -0.30 0.00 0.00 0.00 0.00 60.65 59.58 3g5b s ILE 558 Cb -0.07 -4.38 -0.13 0.00 0.01 0.00 0.00 42.46 37.89 3g5b s ILE 558 CO -0.03 -0.94 1.45 -2.65 0.00 0.00 0.00 174.94 172.77 3g5b n PRO 559 N 6.23 2.28 -0.90 2.79 -0.02 -1.26 -2.85 135.00 141.28 3g5b n PRO 559 Ca -0.08 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3g5b n PRO 559 Cb 0.44 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 3g5b n PRO 559 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g5b n GLY 560 N 1.90 0.51 0.01 -1.23 0.00 -1.26 -4.91 105.19 100.21 3g5b n GLY 560 Ca 0.09 -0.40 -0.01 0.00 0.00 0.00 0.00 46.02 45.70 3g5b n GLY 560 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3g5b n THR 561 N -2.90 0.13 -0.47 2.61 -2.24 -1.13 -3.37 114.28 106.91 3g5b n THR 561 Ca 0.00 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3g5b n THR 561 Cb 0.00 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 3g5b n THR 561 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g5b n GLY 562 N 2.94 0.74 3.69 3.38 0.00 -1.26 -2.27 105.19 112.42 3g5b n GLY 562 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3g5b n GLY 562 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g5b s VAL 563 N -2.79 5.32 0.07 1.61 1.01 -1.26 -3.92 120.40 120.43 3g5b s VAL 563 Ca 0.00 0.41 -0.16 0.00 0.00 0.00 0.00 61.98 62.23 3g5b s VAL 563 Cb 0.00 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.82 3g5b s VAL 563 CO 0.00 0.35 0.37 -0.94 0.00 0.00 0.00 175.10 174.88 3g5b s SER 564 N 0.77 -0.21 -0.19 3.32 1.04 -0.93 -2.05 113.70 115.47 3g5b s SER 564 Ca 0.13 -0.17 0.01 0.00 0.48 0.00 0.00 55.95 56.39 3g5b s SER 564 Cb -0.13 0.42 0.04 0.00 0.10 0.00 0.00 66.02 66.44 3g5b s SER 564 CO 0.04 -0.71 -0.13 -0.22 0.98 0.00 0.00 173.24 173.21 3g5b s LEU 565 N -2.29 2.21 -0.29 2.42 2.96 0.64 -0.91 118.68 123.43 3g5b s LEU 565 Ca -0.02 -0.80 -0.13 0.00 -0.22 0.00 0.00 54.13 52.96 3g5b s LEU 565 Cb 0.00 -1.28 -0.04 0.00 0.50 0.00 0.00 46.19 45.37 3g5b s LEU 565 CO -0.06 -0.11 0.27 -0.22 -1.32 0.00 0.00 176.35 174.92 3g5b s LEU 566 N 1.38 4.09 -0.43 -0.68 2.96 0.20 -0.68 118.68 125.52 3g5b s LEU 566 Ca 0.00 0.05 -0.09 0.00 -0.22 0.00 0.00 54.13 53.88 3g5b s LEU 566 Cb -0.15 -2.25 0.09 0.00 0.50 0.00 0.00 46.19 44.38 3g5b s LEU 566 CO -0.09 -0.14 0.28 -0.69 -1.32 0.00 0.00 176.35 174.39 3g5b s VAL 567 N 1.89 4.12 0.81 1.68 1.01 0.12 -1.22 120.40 128.82 3g5b s VAL 567 Ca 0.10 -1.58 -0.11 0.00 0.00 0.00 0.00 61.98 60.39 3g5b s VAL 567 Cb -0.16 -3.61 0.08 0.00 0.00 0.00 0.00 36.38 32.69 3g5b s VAL 567 CO 0.11 -0.60 1.09 -2.84 0.00 0.00 0.00 175.10 172.85 3g5b s PRO 568 N 1.38 1.93 0.02 2.72 0.02 -1.26 -0.24 135.00 139.56 3g5b s PRO 568 Ca 0.04 0.97 -0.37 0.00 0.02 0.00 0.00 61.00 61.66 3g5b s PRO 568 Cb -0.24 -1.87 -0.16 0.00 0.02 0.00 0.00 34.50 32.25 3g5b s PRO 568 CO 0.01 -1.82 1.47 -1.71 -0.33 0.00 0.00 177.00 174.62 3g5b n ASN 569 N -3.61 2.03 0.00 2.53 5.15 -1.26 -2.32 115.26 117.78 3g5b n ASN 569 Ca 0.08 1.10 0.00 0.00 -0.60 0.00 0.00 54.58 55.16 3g5b n ASN 569 Cb 0.54 -1.22 0.00 0.00 -0.53 0.00 0.00 39.78 38.58 3g5b n ASN 569 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3g5b n GLY 570 N 3.03 1.04 0.21 8.20 0.00 0.12 -4.89 105.19 112.90 3g5b n GLY 570 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 3g5b n GLY 570 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5b h ALA 571 N 0.00 0.63 -2.99 4.61 0.00 -1.70 -3.35 119.26 116.46 3g5b h ALA 571 Ca 0.00 -0.54 -0.58 0.00 0.00 0.00 0.00 54.91 53.79 3g5b h ALA 571 Cb 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.63 3g5b h ALA 571 CO 0.00 0.71 -0.21 0.42 0.00 0.00 0.00 179.25 180.17 3g5b s ILE 572 N -3.89 5.23 0.36 0.00 1.01 -1.26 0.02 121.20 122.67 3g5b s ILE 572 Ca -0.07 0.80 -0.26 0.00 0.00 0.00 0.00 60.65 61.12 3g5b s ILE 572 Cb 0.11 -3.75 -0.12 0.00 0.01 0.00 0.00 42.46 38.71 3g5b s ILE 572 CO 0.85 0.35 1.00 -2.65 0.00 0.00 0.00 174.94 174.49 3g5b n PRO 573 N 3.65 1.37 -1.73 2.79 -0.02 -1.26 -4.08 135.00 135.72 3g5b n PRO 573 Ca -0.09 0.48 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 3g5b n PRO 573 Cb 0.52 -1.95 -0.01 0.00 -0.02 0.00 0.00 33.50 32.04 3g5b n PRO 573 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3g5b n GLN 574 N 0.45 2.37 -0.89 -0.52 1.13 -1.26 -1.50 117.38 117.16 3g5b n GLN 574 Ca 0.09 0.83 0.00 0.00 -1.94 0.00 0.00 57.00 55.98 3g5b n GLN 574 Cb 0.36 -2.49 0.00 0.00 0.11 0.00 0.00 30.24 28.21 3g5b n GLN 574 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3g5b n GLY 575 N 0.98 0.50 3.81 1.08 0.00 -1.26 -5.01 105.19 105.29 3g5b n GLY 575 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 3g5b n GLY 575 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g5b s LYS 576 N -0.52 2.89 -0.03 1.61 1.02 -0.56 -5.08 119.74 119.07 3g5b s LYS 576 Ca 0.00 -1.02 0.01 0.00 0.02 0.00 0.00 55.97 54.97 3g5b s LYS 576 Cb 0.00 -2.57 0.02 0.00 -0.52 0.00 0.00 37.83 34.77 3g5b s LYS 576 CO 0.00 0.42 -0.02 -0.06 -0.92 0.00 0.00 175.35 174.77 3g5b s PHE 577 N -2.05 0.46 -0.08 3.18 0.40 -1.26 -4.00 117.98 114.63 3g5b s PHE 577 Ca 0.32 -0.07 0.04 0.00 -0.60 0.00 0.00 56.93 56.62 3g5b s PHE 577 Cb -0.08 -0.48 -0.01 0.00 0.51 0.00 0.00 43.02 42.95 3g5b s PHE 577 CO 0.24 -0.14 -0.19 0.71 0.70 0.00 0.00 175.22 176.54 3g5b s TYR 578 N 0.93 2.61 -0.36 0.36 2.02 0.43 -4.92 117.35 118.42 3g5b s TYR 578 Ca -0.10 -0.59 -0.22 0.00 -0.37 0.00 0.00 57.07 55.79 3g5b s TYR 578 Cb -0.14 -1.68 0.01 0.00 -0.40 0.00 0.00 41.96 39.75 3g5b s TYR 578 CO -0.01 -0.13 0.70 -0.51 -1.57 0.00 0.00 175.55 174.03 3g5b s ASP 579 N -0.13 6.48 0.24 2.29 1.01 -1.26 -0.54 116.67 124.76 3g5b s ASP 579 Ca -0.03 0.23 0.11 0.00 0.71 0.00 0.00 52.55 53.57 3g5b s ASP 579 Cb -0.14 -2.36 -0.05 0.00 1.01 0.00 0.00 42.92 41.39 3g5b s ASP 579 CO 0.04 -0.65 -0.16 -0.76 0.21 0.00 0.00 175.17 173.85 3g5b s LEU 580 N 2.87 2.73 0.16 1.23 1.43 0.98 -4.35 118.68 123.73 3g5b s LEU 580 Ca 0.27 -0.84 0.02 0.00 -1.03 0.00 0.00 54.13 52.55 3g5b s LEU 580 Cb -0.14 -1.32 -0.05 0.00 0.03 0.00 0.00 46.19 44.71 3g5b s LEU 580 CO 0.16 0.06 -0.02 -0.72 0.23 0.00 0.00 176.35 176.06 3g5b s TYR 581 N -2.14 1.20 -0.08 0.29 1.13 0.36 -1.04 117.35 117.07 3g5b s TYR 581 Ca 0.27 -0.97 -0.03 0.00 -1.41 0.00 0.00 57.07 54.93 3g5b s TYR 581 Cb -0.07 -0.68 0.04 0.00 -1.10 0.00 0.00 41.96 40.16 3g5b s TYR 581 CO 0.15 -0.16 0.16 -1.17 -2.51 0.00 0.00 175.55 172.01 3g5b s LEU 582 N -3.16 0.38 -0.00 -3.49 2.96 0.00 -2.11 118.68 113.25 3g5b s LEU 582 Ca 0.22 0.33 0.00 0.00 -0.22 0.00 0.00 54.13 54.46 3g5b s LEU 582 Cb 0.06 0.35 0.00 0.00 0.50 0.00 0.00 46.19 47.09 3g5b s LEU 582 CO 0.03 -0.19 -0.01 -0.60 -1.32 0.00 0.00 176.35 174.26 3g5b s ARG 583 N 1.64 0.08 -0.12 1.98 3.52 0.40 -0.91 118.95 125.54 3g5b s ARG 583 Ca -0.04 -0.03 -0.18 0.00 -0.13 0.00 0.00 55.73 55.35 3g5b s ARG 583 Cb -0.12 -0.09 -0.04 0.00 -1.56 0.00 0.00 34.95 33.14 3g5b s ARG 583 CO -0.06 0.02 0.47 0.42 -0.81 0.00 0.00 175.30 175.33 3g5b s ILE 584 N 0.01 5.19 0.35 4.11 1.01 -0.48 -0.56 121.20 130.83 3g5b s ILE 584 Ca 0.00 0.93 -0.05 0.00 0.00 0.00 0.00 60.65 61.54 3g5b s ILE 584 Cb -0.01 -3.81 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 3g5b s ILE 584 CO -0.00 0.34 0.62 0.20 0.00 0.00 0.00 174.94 176.10 3g5b s ASN 585 N 0.57 6.39 0.07 3.58 0.01 -0.43 -4.89 114.94 120.25 3g5b s ASN 585 Ca 0.25 0.76 -0.37 0.00 -0.71 0.00 0.00 52.86 52.79 3g5b s ASN 585 Cb -0.15 -2.16 -0.18 0.00 0.41 0.00 0.00 41.25 39.16 3g5b s ASN 585 CO 0.10 -0.31 1.12 0.29 -1.51 0.00 0.00 177.10 176.80 3g5b n LYS 586 N -1.38 0.55 -0.23 -0.60 5.02 -1.26 -4.61 118.16 115.65 3g5b n LYS 586 Ca -0.01 0.20 0.31 0.00 -2.02 0.00 0.00 58.31 56.79 3g5b n LYS 586 Cb 0.55 -1.70 0.73 0.00 -0.02 0.00 0.00 35.03 34.59 3g5b n LYS 586 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3g5b h THR 587 N 2.88 0.50 0.00 -0.18 2.02 -1.94 -0.70 112.91 115.49 3g5b h THR 587 Ca -0.47 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3g5b h THR 587 Cb 1.39 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 3g5b h THR 587 CO 0.69 0.00 -0.41 -0.62 0.37 0.00 0.00 175.52 175.55 3g5b n GLU 588 N -4.23 0.11 0.07 6.66 4.71 -1.26 -4.04 120.64 122.65 3g5b n GLU 588 Ca 0.21 0.04 0.09 0.00 -0.01 0.00 0.00 57.16 57.50 3g5b n GLU 588 Cb 1.07 -1.58 0.39 0.00 -1.01 0.00 0.00 31.44 30.32 3g5b n GLU 588 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3g5b n SER 589 N -1.75 0.34 -0.87 1.62 3.41 -0.27 -2.03 113.62 114.07 3g5b n SER 589 Ca 0.05 0.59 0.08 0.00 -0.26 0.00 0.00 58.87 59.32 3g5b n SER 589 Cb 0.38 -0.66 0.21 0.00 -0.26 0.00 0.00 64.21 63.88 3g5b n SER 589 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3g5b n THR 590 N -1.88 1.01 -0.30 6.66 -2.24 -1.26 -4.74 114.28 111.54 3g5b n THR 590 Ca 0.03 -1.00 0.11 0.00 -2.27 0.00 0.00 64.05 60.91 3g5b n THR 590 Cb 0.19 0.50 0.28 0.00 -2.10 0.00 0.00 70.33 69.19 3g5b n THR 590 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3g5b h LEU 591 N 2.76 0.38 -2.25 3.22 5.85 -1.65 0.41 115.31 124.03 3g5b h LEU 591 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3g5b h LEU 591 Cb 0.82 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.94 3g5b h LEU 591 CO 0.00 0.07 0.19 -0.65 -0.34 0.00 0.00 178.44 177.71 3g5b h PRO 592 N 0.47 0.00 -0.01 5.25 0.11 -1.85 -0.79 132.00 135.18 3g5b h PRO 592 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 3g5b h PRO 592 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3g5b h PRO 592 CO -0.47 0.00 -0.34 1.28 -0.21 0.00 0.00 178.00 178.25 3g5b n LEU 593 N -2.86 0.96 -4.10 2.35 4.77 0.14 -4.68 117.00 113.58 3g5b n LEU 593 Ca -0.02 -0.23 -0.37 0.00 -0.03 0.00 0.00 56.01 55.36 3g5b n LEU 593 Cb 0.24 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 3g5b n LEU 593 CO 0.15 0.19 0.16 -0.44 -1.33 0.00 0.00 177.39 176.12 3g5b s SER 594 N -2.63 5.54 -0.21 -1.43 0.01 -0.30 -4.04 113.70 110.64 3g5b s SER 594 Ca 0.20 -3.18 -0.19 0.00 1.31 0.00 0.00 55.95 54.10 3g5b s SER 594 Cb 0.19 -1.88 0.05 0.00 0.21 0.00 0.00 66.02 64.59 3g5b s SER 594 CO 0.57 -0.31 0.55 -1.83 0.41 0.00 0.00 173.24 172.64 3g5b s GLU 595 N -0.54 0.64 5.12 12.44 -1.05 -0.96 -4.94 118.70 129.42 3g5b s GLU 595 Ca 0.21 0.78 0.00 0.00 -0.15 0.00 0.00 54.97 55.81 3g5b s GLU 595 Cb -0.15 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.84 3g5b s GLU 595 CO -0.07 -0.08 0.00 0.41 0.95 0.00 0.00 175.26 176.47 3g5b n GLY 596 N 2.85 3.52 0.14 -3.83 0.00 -1.26 -1.09 105.19 105.52 3g5b n GLY 596 Ca -0.14 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.18 3g5b n GLY 596 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3g5b h SER 597 N 0.00 0.00 -3.35 1.61 4.64 -1.99 -3.45 113.55 111.01 3g5b h SER 597 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3g5b h SER 597 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 3g5b h SER 597 CO 0.00 0.00 0.05 -1.10 -0.87 0.00 0.00 176.83 174.91 3g5b s GLN 598 N -3.26 4.37 0.07 4.77 -0.21 -0.25 -2.44 119.66 122.71 3g5b s GLN 598 Ca 0.07 0.86 0.02 0.00 0.02 0.00 0.00 55.36 56.33 3g5b s GLN 598 Cb 0.10 -3.32 -0.03 0.00 1.00 0.00 0.00 33.01 30.76 3g5b s GLN 598 CO 0.51 0.41 -0.08 -0.08 -2.12 0.00 0.00 175.29 173.93 3g5b s THR 599 N -0.39 0.66 -0.11 -0.19 -1.32 0.17 -2.26 115.64 112.20 3g5b s THR 599 Ca 0.33 -1.48 -0.16 0.00 -1.21 0.00 0.00 61.69 59.17 3g5b s THR 599 Cb -0.19 -1.12 -0.05 0.00 -1.51 0.00 0.00 72.50 69.63 3g5b s THR 599 CO 0.20 -0.58 0.41 -0.69 -2.21 0.00 0.00 174.62 171.75 3g5b s VAL 600 N -2.35 5.20 -0.05 5.08 1.01 -0.73 -1.61 120.40 126.95 3g5b s VAL 600 Ca 0.00 0.82 0.17 0.00 0.00 0.00 0.00 61.98 62.97 3g5b s VAL 600 Cb -0.03 -3.75 -0.26 0.00 0.00 0.00 0.00 36.38 32.34 3g5b s VAL 600 CO -0.02 0.39 0.39 0.18 0.00 0.00 0.00 175.10 176.04 3g5b n LEU 601 N 3.34 0.03 -4.32 3.92 4.77 0.48 -4.62 117.00 120.60 3g5b n LEU 601 Ca -0.10 -0.02 -0.17 0.00 -0.03 0.00 0.00 56.01 55.70 3g5b n LEU 601 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 3g5b n LEU 601 CO 0.41 0.01 -0.32 -0.94 -1.33 0.00 0.00 177.39 175.22 3g5b s SER 602 N -3.93 1.71 0.74 -1.43 1.04 -1.00 -1.88 113.70 108.95 3g5b s SER 602 Ca -0.06 -1.23 -0.15 0.00 0.48 0.00 0.00 55.95 54.99 3g5b s SER 602 Cb 0.11 0.03 0.04 0.00 0.10 0.00 0.00 66.02 66.31 3g5b s SER 602 CO 0.71 -0.54 1.22 -2.16 0.98 0.00 0.00 173.24 173.46 3g5b s PRO 603 N -3.88 2.06 0.01 4.02 0.04 -1.26 -4.67 135.00 131.31 3g5b s PRO 603 Ca 0.29 1.82 -0.29 0.00 0.04 0.00 0.00 61.00 62.85 3g5b s PRO 603 Cb 0.06 -1.82 -0.03 0.00 0.04 0.00 0.00 34.50 32.75 3g5b s PRO 603 CO 0.09 -1.91 0.95 0.45 0.04 0.00 0.00 177.00 176.61 3g5b s SER 604 N -1.94 7.35 -0.04 6.66 0.15 -1.26 -4.51 113.70 120.10 3g5b s SER 604 Ca 0.76 1.63 0.02 0.00 0.70 0.00 0.00 55.95 59.06 3g5b s SER 604 Cb -0.31 -2.56 0.01 0.00 -1.71 0.00 0.00 66.02 61.46 3g5b s SER 604 CO 0.46 -0.22 -0.10 -0.69 1.20 0.00 0.00 173.24 173.89 3g5b s VAL 605 N 0.86 0.90 -0.15 4.45 1.01 -0.35 -1.31 120.40 125.80 3g5b s VAL 605 Ca 0.50 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 3g5b s VAL 605 Cb -0.21 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 3g5b s VAL 605 CO 0.27 0.29 -0.02 -0.89 0.00 0.00 0.00 175.10 174.75 3g5b s THR 606 N 0.45 4.06 0.01 3.92 2.01 0.28 -0.98 115.64 125.39 3g5b s THR 606 Ca -0.08 -0.30 0.08 0.00 0.31 0.00 0.00 61.69 61.69 3g5b s THR 606 Cb -0.12 -2.78 -0.02 0.00 0.01 0.00 0.00 72.50 69.59 3g5b s THR 606 CO 0.02 0.50 -0.23 0.00 -0.69 0.00 0.00 174.62 174.21 3g5b n GLY 608 N 2.19 1.75 3.74 0.00 0.00 -0.90 -0.99 105.19 110.99 3g5b n GLY 608 Ca -0.16 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 3g5b n GLY 608 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3g5b s PRO 609 N 1.19 1.92 0.79 1.61 0.04 -1.26 -0.49 135.00 138.80 3g5b s PRO 609 Ca 0.00 1.24 -0.12 0.00 0.04 0.00 0.00 61.00 62.16 3g5b s PRO 609 Cb 0.00 -1.85 0.06 0.00 0.04 0.00 0.00 34.50 32.75 3g5b s PRO 609 CO 0.00 -1.90 1.10 0.95 0.04 0.00 0.00 177.00 177.20 3g5b s THR 610 N -2.85 3.03 0.00 1.26 -4.23 -1.26 -4.36 115.64 107.23 3g5b s THR 610 Ca 0.62 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 61.47 3g5b s THR 610 Cb -0.18 -3.15 0.00 0.00 1.34 0.00 0.00 72.50 70.50 3g5b s THR 610 CO 0.57 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 3g5b n GLY 611 N -2.39 0.73 3.86 3.99 0.00 -1.26 -5.07 105.19 105.06 3g5b n GLY 611 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 3g5b n GLY 611 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g5b s LEU 612 N 0.00 4.40 -0.15 0.99 1.43 -1.26 -5.06 118.68 119.04 3g5b s LEU 612 Ca 0.00 0.73 -0.29 0.00 -1.03 0.00 0.00 54.13 53.53 3g5b s LEU 612 Cb 0.00 -2.61 -0.02 0.00 0.03 0.00 0.00 46.19 43.60 3g5b s LEU 612 CO 0.00 0.29 1.22 -0.22 0.23 0.00 0.00 176.35 177.87 3g5b s LEU 613 N -1.45 4.19 -0.10 1.79 2.96 -1.26 -4.94 118.68 119.87 3g5b s LEU 613 Ca 0.25 1.68 -0.02 0.00 -0.22 0.00 0.00 54.13 55.83 3g5b s LEU 613 Cb -0.14 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 3g5b s LEU 613 CO 0.13 -0.71 -0.03 -0.76 -1.32 0.00 0.00 176.35 173.67 3g5b s LEU 614 N 3.17 3.38 0.12 -0.68 1.43 -1.26 -4.54 118.68 120.31 3g5b s LEU 614 Ca 0.54 0.02 0.21 0.00 -1.03 0.00 0.00 54.13 53.87 3g5b s LEU 614 Cb -0.21 -1.78 -0.10 0.00 0.03 0.00 0.00 46.19 44.13 3g5b s LEU 614 CO 0.15 0.31 0.87 0.00 0.23 0.00 0.00 176.35 177.90 3g5b s ARG 616 N -3.32 0.62 0.73 0.00 0.52 -1.26 -4.93 118.95 111.32 3g5b s ARG 616 Ca -0.03 -1.16 -0.14 0.00 -0.52 0.00 0.00 55.73 53.88 3g5b s ARG 616 Cb 0.10 0.22 0.04 0.00 0.52 0.00 0.00 34.95 35.83 3g5b s ARG 616 CO 0.82 -0.12 1.15 -2.14 0.02 0.00 0.00 175.30 175.03 3g5b s PRO 617 N -3.80 2.26 0.35 3.54 0.02 -1.26 -4.69 135.00 131.42 3g5b s PRO 617 Ca 0.06 1.54 0.07 0.00 0.02 0.00 0.00 61.00 62.70 3g5b s PRO 617 Cb 0.07 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.69 3g5b s PRO 617 CO -0.10 -1.70 0.32 0.14 -0.33 0.00 0.00 177.00 175.33 3g5b s VAL 618 N -2.28 3.42 -0.26 3.83 -7.23 -0.66 -4.55 120.40 112.67 3g5b s VAL 618 Ca 0.69 -1.34 -0.03 0.00 -1.81 0.00 0.00 61.98 59.49 3g5b s VAL 618 Cb -0.24 -3.16 0.02 0.00 0.56 0.00 0.00 36.38 33.56 3g5b s VAL 618 CO 0.46 -0.15 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.39 3g5b s VAL 619 N -2.32 3.09 -0.28 1.32 1.01 -0.36 -0.41 120.40 122.46 3g5b s VAL 619 Ca 0.42 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 61.32 3g5b s VAL 619 Cb -0.06 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 3g5b s VAL 619 CO 0.27 0.18 0.27 -0.22 0.00 0.00 0.00 175.10 175.60 3g5b s LEU 620 N 1.36 4.04 -0.18 3.92 2.96 0.73 -0.63 118.68 130.88 3g5b s LEU 620 Ca 0.01 0.11 -0.08 0.00 -0.22 0.00 0.00 54.13 53.95 3g5b s LEU 620 Cb -0.17 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.23 3g5b s LEU 620 CO -0.03 -0.11 0.07 -0.89 -1.32 0.00 0.00 176.35 174.06 3g5b s THR 621 N 1.90 4.85 0.04 3.68 2.01 -0.09 -0.14 115.64 127.88 3g5b s THR 621 Ca 0.11 -0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.13 3g5b s THR 621 Cb -0.16 -3.19 -0.02 0.00 0.01 0.00 0.00 72.50 69.14 3g5b s THR 621 CO 0.11 0.46 -0.12 0.68 -0.69 0.00 0.00 174.62 175.05 3g5b s VAL 622 N 0.37 0.95 0.60 3.82 -7.23 -0.70 -2.18 120.40 116.02 3g5b s VAL 622 Ca 0.04 -0.98 -0.12 0.00 -1.81 0.00 0.00 61.98 59.10 3g5b s VAL 622 Cb -0.12 -0.89 -0.05 0.00 0.56 0.00 0.00 36.38 35.88 3g5b s VAL 622 CO -0.00 -0.09 1.02 -2.16 -0.31 0.00 0.00 175.10 173.56 3g5b s PRO 623 N -1.21 3.67 0.19 4.82 0.04 -1.25 -0.67 135.00 140.60 3g5b s PRO 623 Ca -0.01 0.79 0.01 0.00 0.04 0.00 0.00 61.00 61.83 3g5b s PRO 623 Cb -0.08 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 3g5b s PRO 623 CO 0.01 -0.51 0.06 -3.38 0.04 0.00 0.00 177.00 173.23 3g5b s HIS 624 N -3.06 1.23 -0.24 0.56 -3.43 -0.21 -4.27 115.29 105.88 3g5b s HIS 624 Ca 0.56 -1.17 0.16 0.00 -0.80 0.00 0.00 55.06 53.81 3g5b s HIS 624 Cb -0.11 -0.69 0.43 0.00 -1.43 0.00 0.00 32.58 30.78 3g5b s HIS 624 CO 0.49 -0.38 1.33 0.00 -2.00 0.00 0.00 174.74 174.18 3g5b s ALA 626 N -2.59 3.39 -0.43 0.00 0.00 -1.26 0.29 121.76 121.17 3g5b s ALA 626 Ca 0.36 0.33 -0.26 0.00 0.00 0.00 0.00 51.96 52.40 3g5b s ALA 626 Cb 0.29 -2.96 0.02 0.00 0.00 0.00 0.00 23.12 20.48 3g5b s ALA 626 CO 0.08 0.28 0.94 -1.21 0.00 0.00 0.00 175.76 175.85 3g5b s GLU 627 N -1.58 3.65 -0.16 0.00 0.41 -0.57 -4.77 118.70 115.67 3g5b s GLU 627 Ca 0.41 0.32 -0.27 0.00 -0.41 0.00 0.00 54.97 55.03 3g5b s GLU 627 Cb -0.20 -3.88 -0.24 0.00 -1.78 0.00 0.00 34.13 28.03 3g5b s GLU 627 CO 0.24 -1.14 0.61 0.28 -0.49 0.00 0.00 175.26 174.76 3g5b h VAL 628 N 6.01 1.54 -0.04 2.63 2.07 -1.87 -3.38 116.25 123.21 3g5b h VAL 628 Ca -0.24 -2.27 0.03 0.00 0.82 0.00 0.00 66.70 65.04 3g5b h VAL 628 Cb 1.08 3.02 -0.04 0.00 -1.52 0.00 0.00 31.29 33.83 3g5b h VAL 628 CO 1.02 0.52 -0.18 0.40 0.02 0.00 0.00 177.57 179.35 3g5b h ILE 629 N -1.00 0.56 0.00 4.57 5.03 -1.95 -3.44 117.51 121.28 3g5b h ILE 629 Ca -0.09 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.65 3g5b h ILE 629 Cb 1.05 0.56 0.00 0.00 -3.03 0.00 0.00 36.82 35.40 3g5b h ILE 629 CO -0.05 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.42 3g5b n ALA 630 N -2.56 0.00 -0.89 1.87 0.00 -1.26 -4.93 120.51 112.75 3g5b n ALA 630 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.05 3g5b n ALA 630 Cb 0.23 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.76 3g5b n ALA 630 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g5b n GLY 631 N 0.00 -3.29 3.67 0.00 0.00 -1.18 -4.80 105.19 99.60 3g5b n GLY 631 Ca 0.00 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 3g5b n GLY 631 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3g5b s ASP 632 N -1.49 6.89 0.11 1.61 1.01 -1.26 -4.55 116.67 119.00 3g5b s ASP 632 Ca 0.48 1.93 0.08 0.00 0.71 0.00 0.00 52.55 55.75 3g5b s ASP 632 Cb -0.17 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.17 3g5b s ASP 632 CO 0.74 -0.74 -0.14 0.26 0.21 0.00 0.00 175.17 175.50 3g5b s TRP 633 N 2.98 2.63 -0.37 4.23 0.52 -1.26 -4.51 118.94 123.16 3g5b s TRP 633 Ca 0.61 -0.21 -0.12 0.00 0.02 0.00 0.00 56.10 56.39 3g5b s TRP 633 Cb -0.27 -1.38 0.02 0.00 -1.15 0.00 0.00 33.47 30.68 3g5b s TRP 633 CO 0.22 0.41 0.23 0.42 0.02 0.00 0.00 176.95 178.25 3g5b s ILE 634 N -1.18 4.85 0.06 2.03 1.01 -0.20 -4.96 121.20 122.80 3g5b s ILE 634 Ca 0.20 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 60.06 3g5b s ILE 634 Cb -0.11 -3.65 -0.06 0.00 0.01 0.00 0.00 42.46 38.66 3g5b s ILE 634 CO 0.12 -0.19 0.39 -0.36 0.00 0.00 0.00 174.94 174.90 3g5b s PHE 635 N 1.62 3.61 -0.10 3.97 0.08 -1.26 -0.97 117.98 124.92 3g5b s PHE 635 Ca 0.04 0.81 -0.09 0.00 0.12 0.00 0.00 56.93 57.81 3g5b s PHE 635 Cb -0.19 -2.17 0.03 0.00 -0.57 0.00 0.00 43.02 40.12 3g5b s PHE 635 CO 0.08 0.55 0.27 -0.65 -0.10 0.00 0.00 175.22 175.37 3g5b s GLN 636 N -1.75 0.31 -0.20 0.44 -0.21 -0.09 -1.00 119.66 117.16 3g5b s GLN 636 Ca 0.31 0.38 -0.11 0.00 0.02 0.00 0.00 55.36 55.96 3g5b s GLN 636 Cb -0.14 0.15 -0.05 0.00 1.00 0.00 0.00 33.01 33.97 3g5b s GLN 636 CO 0.17 -0.04 0.19 -1.17 -2.12 0.00 0.00 175.29 172.32 3g5b s LEU 637 N 0.16 4.18 0.15 2.90 2.96 -0.38 -0.59 118.68 128.07 3g5b s LEU 637 Ca -0.00 0.27 0.10 0.00 -0.22 0.00 0.00 54.13 54.28 3g5b s LEU 637 Cb -0.02 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 3g5b s LEU 637 CO 0.00 0.11 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.40 3g5b s LYS 638 N 0.67 1.67 0.12 1.98 1.02 -0.37 0.01 119.74 124.84 3g5b s LYS 638 Ca 0.10 -1.34 0.06 0.00 0.02 0.00 0.00 55.97 54.82 3g5b s LYS 638 Cb -0.12 -1.99 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 3g5b s LYS 638 CO 0.02 0.44 -0.15 -0.08 -0.92 0.00 0.00 175.35 174.66 3g5b s THR 639 N -1.39 1.36 -0.33 2.17 -1.32 0.52 -1.40 115.64 115.26 3g5b s THR 639 Ca 0.19 -1.71 0.01 0.00 -1.21 0.00 0.00 61.69 58.97 3g5b s THR 639 Cb -0.09 -1.53 0.08 0.00 -1.51 0.00 0.00 72.50 69.45 3g5b s THR 639 CO 0.10 -0.39 0.04 -1.58 -2.21 0.00 0.00 174.62 170.58 3g5b s GLN 640 N -2.62 1.97 0.10 7.08 0.74 -0.96 -1.32 119.66 124.66 3g5b s GLN 640 Ca 0.09 -1.62 -0.23 0.00 0.05 0.00 0.00 55.36 53.65 3g5b s GLN 640 Cb -0.05 -3.21 -0.11 0.00 1.10 0.00 0.00 33.01 30.74 3g5b s GLN 640 CO 0.03 -0.82 1.71 0.00 -0.55 0.00 0.00 175.29 175.66 3g5b h ALA 641 N 7.83 -0.09 -2.38 1.58 0.00 -1.89 -3.40 119.26 120.90 3g5b h ALA 641 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 3g5b h ALA 641 Cb 1.04 0.13 -0.15 0.00 0.00 0.00 0.00 17.79 18.81 3g5b h ALA 641 CO 0.55 -0.57 -0.59 -3.38 0.00 0.00 0.00 179.25 175.26 3g5b s HIS 642 N -6.17 0.57 0.02 0.00 0.00 -1.26 -5.05 115.29 103.40 3g5b s HIS 642 Ca -0.14 -1.03 -0.39 0.00 -3.00 0.00 0.00 55.06 50.51 3g5b s HIS 642 Cb 0.07 -0.34 -0.19 0.00 -4.00 0.00 0.00 32.58 28.13 3g5b s HIS 642 CO 0.66 -0.48 1.21 1.04 -1.00 0.00 0.00 174.74 176.17 3g5b n GLN 643 N -0.01 0.51 -0.99 -0.38 6.02 -1.26 -1.95 117.38 119.32 3g5b n GLN 643 Ca -0.11 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 3g5b n GLN 643 Cb 0.62 -1.75 0.00 0.00 1.02 0.00 0.00 30.24 30.13 3g5b n GLN 643 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g5b n GLY 644 N 2.04 0.64 2.91 1.08 0.00 -1.26 -5.01 105.19 105.59 3g5b n GLY 644 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 3g5b n GLY 644 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3g5b s HIS 645 N -2.61 1.81 0.01 1.61 5.04 -0.82 -5.10 115.29 115.24 3g5b s HIS 645 Ca 0.00 -1.13 0.06 0.00 -1.54 0.00 0.00 55.06 52.46 3g5b s HIS 645 Cb 0.00 -1.37 -0.03 0.00 0.04 0.00 0.00 32.58 31.22 3g5b s HIS 645 CO 0.00 -0.63 -0.18 -1.58 -2.34 0.00 0.00 174.74 170.02 3g5b s TRP 646 N 1.60 2.58 0.11 3.88 0.52 -1.26 -3.47 118.94 122.90 3g5b s TRP 646 Ca 0.01 -0.25 0.01 0.00 0.02 0.00 0.00 56.10 55.90 3g5b s TRP 646 Cb -0.15 -1.51 -0.04 0.00 -1.15 0.00 0.00 33.47 30.62 3g5b s TRP 646 CO -0.08 0.21 -0.04 -1.21 0.02 0.00 0.00 176.95 175.86 3g5b s GLU 647 N -1.20 0.87 0.18 4.98 0.41 -0.43 -4.98 118.70 118.53 3g5b s GLU 647 Ca 0.14 -1.37 -0.30 0.00 -0.41 0.00 0.00 54.97 53.03 3g5b s GLU 647 Cb -0.10 -0.13 -0.08 0.00 -1.78 0.00 0.00 34.13 32.04 3g5b s GLU 647 CO 0.04 -0.07 1.11 -1.21 -0.49 0.00 0.00 175.26 174.63 3g5b s GLU 648 N -3.88 4.59 -0.15 1.61 2.02 -1.26 -0.35 118.70 121.27 3g5b s GLU 648 Ca 0.15 1.73 -0.25 0.00 0.02 0.00 0.00 54.97 56.62 3g5b s GLU 648 Cb 0.06 -3.27 -0.22 0.00 0.10 0.00 0.00 34.13 30.80 3g5b s GLU 648 CO -0.03 0.07 0.56 0.28 0.02 0.00 0.00 175.26 176.15 3g5b h VAL 649 N 3.70 1.41 -2.18 2.63 2.07 -0.73 -3.45 116.25 119.69 3g5b h VAL 649 Ca -0.44 -2.18 -0.07 0.00 0.82 0.00 0.00 66.70 64.83 3g5b h VAL 649 Cb 1.21 2.78 -0.20 0.00 -1.52 0.00 0.00 31.29 33.57 3g5b h VAL 649 CO 0.72 0.48 0.10 0.54 0.02 0.00 0.00 177.57 179.43 3g5b s VAL 650 N -2.21 0.01 -0.20 2.57 0.11 -1.10 -4.90 120.40 114.68 3g5b s VAL 650 Ca -0.20 -0.07 -0.12 0.00 -2.93 0.00 0.00 61.98 58.66 3g5b s VAL 650 Cb -0.01 -0.93 -0.05 0.00 -1.53 0.00 0.00 36.38 33.87 3g5b s VAL 650 CO 0.60 -0.04 0.23 -0.89 -3.33 0.00 0.00 175.10 171.68 3g5b s THR 651 N -0.98 5.33 0.21 5.04 2.01 -1.26 -1.25 115.64 124.73 3g5b s THR 651 Ca -0.10 0.38 -0.32 0.00 0.31 0.00 0.00 61.69 61.96 3g5b s THR 651 Cb -0.01 -3.57 -0.12 0.00 0.01 0.00 0.00 72.50 68.80 3g5b s THR 651 CO 0.08 0.36 1.67 0.18 -0.69 0.00 0.00 174.62 176.21 3g5b n LEU 652 N 3.97 3.79 0.00 4.42 4.32 -0.17 -1.40 117.00 131.93 3g5b n LEU 652 Ca -0.13 1.08 0.00 0.00 -0.02 0.00 0.00 56.01 56.94 3g5b n LEU 652 Cb 0.52 -1.54 0.00 0.00 -1.62 0.00 0.00 43.42 40.78 3g5b n LEU 652 CO 0.38 0.04 0.00 -0.90 -1.22 0.00 0.00 177.39 175.69 3g5b n ASP 653 N 3.60 -0.08 -0.70 -1.43 5.68 -1.26 -4.75 116.55 117.61 3g5b n ASP 653 Ca 0.15 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.51 3g5b n ASP 653 Cb 0.33 -0.01 0.18 0.00 -1.14 0.00 0.00 41.12 40.48 3g5b n ASP 653 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3g5b n GLU 654 N -2.03 2.90 -1.67 0.11 1.02 -0.49 -5.05 120.64 115.43 3g5b n GLU 654 Ca 0.00 -2.25 -0.43 0.00 -0.02 0.00 0.00 57.16 54.46 3g5b n GLU 654 Cb 0.00 -1.42 -0.00 0.00 -0.02 0.00 0.00 31.44 30.00 3g5b n GLU 654 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3g5b n GLU 655 N 0.24 1.88 -4.65 3.49 4.71 -1.26 -4.91 120.64 120.15 3g5b n GLU 655 Ca 0.14 0.66 -0.29 0.00 -0.01 0.00 0.00 57.16 57.66 3g5b n GLU 655 Cb 0.55 -2.21 -0.09 0.00 -1.01 0.00 0.00 31.44 28.68 3g5b n GLU 655 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 3g5b s THR 656 N -1.11 1.32 0.27 2.62 -4.23 -1.26 -5.01 115.64 108.24 3g5b s THR 656 Ca 0.57 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 59.43 3g5b s THR 656 Cb -0.59 -2.50 0.36 0.00 1.34 0.00 0.00 72.50 71.10 3g5b s THR 656 CO 0.61 0.00 2.07 -0.07 -0.54 0.00 0.00 174.62 176.69 3g5b h LEU 657 N 1.63 0.00 0.00 4.79 3.38 -1.96 -2.63 115.31 120.52 3g5b h LEU 657 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3g5b h LEU 657 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3g5b h LEU 657 CO 0.73 0.00 -1.22 0.59 0.09 0.00 0.00 178.44 178.63 3g5b n ASN 658 N -2.76 0.55 -4.68 -0.43 3.02 -1.26 -4.94 115.26 104.76 3g5b n ASN 658 Ca -0.02 -0.10 -0.54 0.00 -0.03 0.00 0.00 54.58 53.89 3g5b n ASN 658 Cb 0.08 0.99 -0.06 0.00 -0.61 0.00 0.00 39.78 40.18 3g5b n ASN 658 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3g5b n THR 659 N -2.14 0.30 0.08 3.41 -1.04 -0.99 -4.84 114.28 109.05 3g5b n THR 659 Ca 0.00 -0.05 0.02 0.00 -2.04 0.00 0.00 64.05 61.98 3g5b n THR 659 Cb 0.48 -1.32 0.19 0.00 -1.82 0.00 0.00 70.33 67.86 3g5b n THR 659 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3g5b n PRO 660 N 5.05 2.79 -3.91 -2.82 -0.04 -1.26 -4.87 135.00 129.94 3g5b n PRO 660 Ca 0.24 -1.51 -0.09 0.00 -0.04 0.00 0.00 63.50 62.09 3g5b n PRO 660 Cb 0.19 -1.85 -0.06 0.00 -0.04 0.00 0.00 33.50 31.74 3g5b n PRO 660 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3g5b s TYR 662 N -3.95 0.63 -0.60 0.00 5.04 -0.05 -4.96 117.35 113.46 3g5b s TYR 662 Ca 0.16 -0.21 -0.23 0.00 -2.44 0.00 0.00 57.07 54.36 3g5b s TYR 662 Cb 0.01 -0.79 0.06 0.00 0.35 0.00 0.00 41.96 41.59 3g5b s TYR 662 CO 0.01 -0.35 0.92 0.00 -1.34 0.00 0.00 175.55 174.79 3g5b s GLN 664 N 3.86 3.28 -0.38 0.00 2.00 0.26 -4.95 119.66 123.74 3g5b s GLN 664 Ca 0.25 -0.29 -0.21 0.00 -2.00 0.00 0.00 55.36 53.10 3g5b s GLN 664 Cb -0.15 -4.12 0.01 0.00 0.80 0.00 0.00 33.01 29.55 3g5b s GLN 664 CO 0.14 -1.76 0.67 -1.17 -0.50 0.00 0.00 175.29 172.67 3g5b s LEU 665 N 4.59 4.28 0.55 3.68 2.96 -1.26 -0.77 118.68 132.71 3g5b s LEU 665 Ca 0.32 0.07 0.08 0.00 -0.22 0.00 0.00 54.13 54.38 3g5b s LEU 665 Cb -0.11 -2.82 0.06 0.00 0.50 0.00 0.00 46.19 43.82 3g5b s LEU 665 CO 0.17 -0.67 0.64 -1.61 -1.32 0.00 0.00 176.35 173.56 3g5b s GLU 666 N 2.83 2.34 0.25 1.98 0.41 0.42 -5.02 118.70 121.91 3g5b s GLU 666 Ca 0.25 -1.72 -0.04 0.00 -0.41 0.00 0.00 54.97 53.05 3g5b s GLU 666 Cb -0.14 -2.48 0.37 0.00 -1.78 0.00 0.00 34.13 30.10 3g5b s GLU 666 CO 0.16 -0.72 1.86 0.00 -0.49 0.00 0.00 175.26 176.08 3g5b h ALA 667 N 0.42 1.27 0.00 5.21 0.00 -1.96 -3.31 119.26 120.89 3g5b h ALA 667 Ca -0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3g5b h ALA 667 Cb 1.29 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3g5b h ALA 667 CO 0.47 0.33 0.00 1.63 0.00 0.00 0.00 179.25 181.68 3g5b n LYS 668 N -4.58 -0.34 -3.91 0.00 5.02 -1.26 -4.60 118.16 108.49 3g5b n LYS 668 Ca 0.14 -0.35 -0.09 0.00 -2.02 0.00 0.00 58.31 55.99 3g5b n LYS 668 Cb 0.19 -0.78 -0.04 0.00 -0.02 0.00 0.00 35.03 34.38 3g5b n LYS 668 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3g5b s SER 669 N -0.05 -0.16 -0.08 4.39 1.04 -1.25 -1.05 113.70 116.54 3g5b s SER 669 Ca 0.00 -0.75 0.05 0.00 0.48 0.00 0.00 55.95 55.72 3g5b s SER 669 Cb 0.00 0.61 -0.00 0.00 0.10 0.00 0.00 66.02 66.73 3g5b s SER 669 CO 0.00 -1.15 -0.24 0.00 0.98 0.00 0.00 173.24 172.83 3g5b s HIS 671 N 0.17 3.29 -0.35 0.00 3.76 0.05 -1.73 115.29 120.48 3g5b s HIS 671 Ca -0.13 -1.34 -0.11 0.00 -0.15 0.00 0.00 55.06 53.33 3g5b s HIS 671 Cb -0.16 -2.63 0.01 0.00 1.11 0.00 0.00 32.58 30.92 3g5b s HIS 671 CO 0.07 -0.76 0.19 0.42 -0.85 0.00 0.00 174.74 173.81 3g5b s ILE 672 N 1.45 4.63 -0.05 0.60 1.01 0.80 -0.57 121.20 129.06 3g5b s ILE 672 Ca 0.01 -0.68 -0.30 0.00 0.00 0.00 0.00 60.65 59.69 3g5b s ILE 672 Cb -0.21 -3.50 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 3g5b s ILE 672 CO 0.04 -0.12 1.12 -0.76 0.00 0.00 0.00 174.94 175.21 3g5b s LEU 673 N 1.58 4.29 -0.09 2.97 1.43 0.46 -0.19 118.68 129.13 3g5b s LEU 673 Ca 0.03 1.73 0.04 0.00 -1.03 0.00 0.00 54.13 54.90 3g5b s LEU 673 Cb -0.18 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.48 3g5b s LEU 673 CO 0.07 -0.50 -0.22 -0.76 0.23 0.00 0.00 176.35 175.16 3g5b s LEU 674 N 1.93 2.01 0.41 1.79 1.43 0.46 -0.87 118.68 125.84 3g5b s LEU 674 Ca 0.53 -0.51 0.23 0.00 -1.03 0.00 0.00 54.13 53.35 3g5b s LEU 674 Cb -0.23 -1.30 0.54 0.00 0.03 0.00 0.00 46.19 45.22 3g5b s LEU 674 CO 0.22 0.14 1.67 0.44 0.23 0.00 0.00 176.35 179.05 3g5b h ASP 675 N 6.71 0.00 -5.11 2.29 3.32 -1.63 -1.75 116.42 120.25 3g5b h ASP 675 Ca -0.22 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.72 3g5b h ASP 675 Cb 1.23 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.61 3g5b h ASP 675 CO 0.47 0.18 -0.45 0.00 -1.72 0.00 0.00 179.24 177.72 3g5b s GLN 676 N -3.30 0.69 0.87 3.56 -2.07 -1.26 -4.78 119.66 113.37 3g5b s GLN 676 Ca 0.04 -0.78 -0.12 0.00 -1.82 0.00 0.00 55.36 52.68 3g5b s GLN 676 Cb 0.07 0.28 0.12 0.00 -1.09 0.00 0.00 33.01 32.39 3g5b s GLN 676 CO 0.66 -0.19 1.12 -0.51 -1.32 0.00 0.00 175.29 175.05 3g5b s LEU 677 N -2.33 2.21 0.00 2.60 1.43 -1.26 -5.03 118.68 116.30 3g5b s LEU 677 Ca -0.02 1.13 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 3g5b s LEU 677 Cb 0.01 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.68 3g5b s LEU 677 CO -0.06 -2.38 0.00 0.61 0.23 0.00 0.00 176.35 174.75 3g5b n GLY 678 N -2.05 -0.41 3.71 -3.19 0.00 -0.16 -4.84 105.19 98.25 3g5b n GLY 678 Ca 0.07 -1.39 -0.35 0.00 0.00 0.00 0.00 46.02 44.34 3g5b n GLY 678 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g5b s THR 679 N -2.83 5.36 0.03 2.61 2.01 -1.26 -1.36 115.64 120.20 3g5b s THR 679 Ca 0.00 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.18 3g5b s THR 679 Cb 0.00 -3.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 3g5b s THR 679 CO 0.00 0.42 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.99 3g5b s TYR 680 N 0.54 0.45 -0.06 4.92 2.02 -0.16 -2.26 117.35 122.81 3g5b s TYR 680 Ca 0.08 -0.60 -0.08 0.00 -0.37 0.00 0.00 57.07 56.10 3g5b s TYR 680 Cb -0.12 -0.29 0.02 0.00 -0.40 0.00 0.00 41.96 41.17 3g5b s TYR 680 CO -0.00 -0.18 0.20 0.54 -1.57 0.00 0.00 175.55 174.54 3g5b s VAL 681 N -1.83 0.02 -0.22 0.71 0.11 -0.49 -1.21 120.40 117.48 3g5b s VAL 681 Ca -0.10 -0.17 -0.12 0.00 -2.93 0.00 0.00 61.98 58.65 3g5b s VAL 681 Cb -0.07 -0.35 -0.05 0.00 -1.53 0.00 0.00 36.38 34.38 3g5b s VAL 681 CO -0.02 -0.09 0.25 0.12 -3.33 0.00 0.00 175.10 172.02 3g5b s PHE 682 N -0.29 3.35 0.26 1.54 5.36 -1.26 -1.24 117.98 125.70 3g5b s PHE 682 Ca -0.04 0.39 0.08 0.00 -0.96 0.00 0.00 56.93 56.40 3g5b s PHE 682 Cb -0.03 -2.35 -0.05 0.00 -0.34 0.00 0.00 43.02 40.24 3g5b s PHE 682 CO 0.01 0.06 -0.13 0.95 -1.46 0.00 0.00 175.22 174.66 3g5b s THR 683 N 1.06 1.92 -0.04 0.12 -4.23 0.24 -0.38 115.64 114.33 3g5b s THR 683 Ca 0.12 -2.23 -0.08 0.00 -1.18 0.00 0.00 61.69 58.32 3g5b s THR 683 Cb -0.14 -2.28 0.01 0.00 1.34 0.00 0.00 72.50 71.44 3g5b s THR 683 CO 0.05 -0.43 0.19 -0.83 -0.54 0.00 0.00 174.62 173.07 3g5b s GLY 684 N -3.42 -0.07 0.02 3.99 0.00 -0.64 -0.92 107.32 106.29 3g5b s GLY 684 Ca 0.27 0.26 0.02 0.00 0.00 0.00 0.00 44.72 45.27 3g5b s GLY 684 CO 0.11 0.14 -0.07 -1.83 0.00 0.00 0.00 173.10 171.45 3g5b s GLU 685 N -0.67 0.50 -0.15 2.90 -1.05 -0.14 -0.66 118.70 119.43 3g5b s GLU 685 Ca -0.08 -0.53 -0.29 0.00 -0.15 0.00 0.00 54.97 53.92 3g5b s GLU 685 Cb -0.04 -0.36 0.09 0.00 -0.44 0.00 0.00 34.13 33.38 3g5b s GLU 685 CO 0.01 0.08 0.79 0.45 0.95 0.00 0.00 175.26 177.55 3g5b s SER 686 N -0.99 -0.60 0.00 0.83 0.15 -1.02 -1.03 113.70 111.03 3g5b s SER 686 Ca -0.05 0.83 0.15 0.00 0.70 0.00 0.00 55.95 57.58 3g5b s SER 686 Cb -0.07 0.73 -0.02 0.00 -1.71 0.00 0.00 66.02 64.95 3g5b s SER 686 CO 0.00 -0.43 0.79 -1.22 1.20 0.00 0.00 173.24 173.59 3g5b n TYR 687 N 1.40 0.00 -1.85 3.44 4.01 -1.26 -4.72 117.16 118.18 3g5b n TYR 687 Ca -0.15 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.17 3g5b n TYR 687 Cb 0.57 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.57 3g5b n TYR 687 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3g5b s SER 688 N -1.86 6.51 0.43 7.72 0.15 -1.26 -4.85 113.70 120.54 3g5b s SER 688 Ca 0.12 2.70 0.29 0.00 0.70 0.00 0.00 55.95 59.76 3g5b s SER 688 Cb 0.12 -2.59 1.58 0.00 -1.71 0.00 0.00 66.02 63.42 3g5b s SER 688 CO 0.40 -0.89 1.90 0.03 1.20 0.00 0.00 173.24 175.88 3g5b h ARG 689 N 6.99 0.00 0.00 5.44 3.08 -1.95 -2.85 114.38 125.09 3g5b h ARG 689 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 3g5b h ARG 689 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3g5b h ARG 689 CO 0.93 0.00 -1.19 0.43 -1.07 0.00 0.00 179.97 179.07 3g5b n SER 690 N -2.53 0.57 -4.73 7.04 7.64 -1.26 -4.34 113.62 116.01 3g5b n SER 690 Ca -0.02 -0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.44 3g5b n SER 690 Cb 0.05 0.90 -0.03 0.00 -1.01 0.00 0.00 64.21 64.13 3g5b n SER 690 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3g5b s ALA 691 N -3.31 3.64 -0.02 -0.43 0.00 -1.08 -3.12 121.76 117.44 3g5b s ALA 691 Ca 0.00 1.24 0.06 0.00 0.00 0.00 0.00 51.96 53.26 3g5b s ALA 691 Cb 0.13 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 3g5b s ALA 691 CO 0.82 -0.68 -0.20 0.08 0.00 0.00 0.00 175.76 175.78 3g5b s VAL 692 N 0.64 1.57 0.28 0.00 1.01 -1.26 -0.76 120.40 121.88 3g5b s VAL 692 Ca 0.63 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.87 3g5b s VAL 692 Cb -0.40 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 3g5b s VAL 692 CO 0.35 0.45 0.04 -1.59 0.00 0.00 0.00 175.10 174.35 3g5b s LYS 693 N -0.33 2.36 -0.17 2.72 -2.85 0.13 -1.52 119.74 120.08 3g5b s LYS 693 Ca 0.04 -1.41 -0.07 0.00 -1.00 0.00 0.00 55.97 53.53 3g5b s LYS 693 Cb -0.09 -2.19 -0.04 0.00 -2.06 0.00 0.00 37.83 33.44 3g5b s LYS 693 CO 0.00 0.33 0.07 1.03 0.10 0.00 0.00 175.35 176.88 3g5b s ARG 694 N -3.71 3.87 0.27 1.78 0.52 0.15 -0.49 118.95 121.33 3g5b s ARG 694 Ca 0.32 -0.31 0.11 0.00 -0.52 0.00 0.00 55.73 55.33 3g5b s ARG 694 Cb -0.06 -3.20 -0.05 0.00 0.52 0.00 0.00 34.95 32.17 3g5b s ARG 694 CO 0.21 0.36 -0.09 -0.51 0.02 0.00 0.00 175.30 175.29 3g5b s LEU 695 N 0.12 2.92 -0.03 2.53 1.43 0.11 -1.52 118.68 124.24 3g5b s LEU 695 Ca 0.06 -0.81 0.06 0.00 -1.03 0.00 0.00 54.13 52.40 3g5b s LEU 695 Cb -0.12 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.65 3g5b s LEU 695 CO 0.00 0.02 -0.21 0.00 0.23 0.00 0.00 176.35 176.40 3g5b s GLN 696 N -3.58 1.85 -0.23 1.70 -2.07 0.64 -1.12 119.66 116.86 3g5b s GLN 696 Ca 0.31 -0.73 -0.06 0.00 -1.82 0.00 0.00 55.36 53.05 3g5b s GLN 696 Cb -0.06 -1.70 -0.03 0.00 -1.09 0.00 0.00 33.01 30.14 3g5b s GLN 696 CO 0.18 0.38 0.04 -0.51 -1.32 0.00 0.00 175.29 174.06 3g5b s LEU 697 N -0.29 3.39 -0.08 2.60 1.43 0.16 -1.38 118.68 124.50 3g5b s LEU 697 Ca 0.03 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 3g5b s LEU 697 Cb -0.10 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.25 3g5b s LEU 697 CO 0.01 0.02 -0.13 0.00 0.23 0.00 0.00 176.35 176.47 3g5b s ALA 698 N 1.30 1.43 -0.13 4.21 0.00 -0.92 -1.27 121.76 126.39 3g5b s ALA 698 Ca 0.04 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 3g5b s ALA 698 Cb -0.15 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.26 3g5b s ALA 698 CO 0.02 0.01 -0.09 0.42 0.00 0.00 0.00 175.76 176.12 3g5b s ILE 699 N 0.86 3.45 0.13 0.00 1.01 -1.26 -0.43 121.20 124.96 3g5b s ILE 699 Ca -0.10 -0.53 0.11 0.00 0.00 0.00 0.00 60.65 60.13 3g5b s ILE 699 Cb -0.15 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 3g5b s ILE 699 CO 0.01 0.52 -0.26 -0.36 0.00 0.00 0.00 174.94 174.85 3g5b s PHE 700 N 0.17 2.27 0.09 3.97 0.08 0.41 -1.45 117.98 123.52 3g5b s PHE 700 Ca -0.05 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 56.65 3g5b s PHE 700 Cb -0.14 -1.23 -0.04 0.00 -0.57 0.00 0.00 43.02 41.04 3g5b s PHE 700 CO 0.04 0.33 -0.09 0.00 -0.10 0.00 0.00 175.22 175.39 3g5b s ALA 701 N -1.07 1.03 0.30 5.36 0.00 -0.93 -0.71 121.76 125.75 3g5b s ALA 701 Ca 0.13 -1.16 -0.29 0.00 0.00 0.00 0.00 51.96 50.64 3g5b s ALA 701 Cb -0.10 0.05 -0.10 0.00 0.00 0.00 0.00 23.12 22.97 3g5b s ALA 701 CO 0.06 -0.06 1.25 -1.25 0.00 0.00 0.00 175.76 175.76 3g5b s PRO 702 N -2.80 4.43 0.17 0.00 0.04 -1.26 -0.71 135.00 134.86 3g5b s PRO 702 Ca 0.05 2.09 -0.04 0.00 0.04 0.00 0.00 61.00 63.14 3g5b s PRO 702 Cb -0.02 -3.11 0.04 0.00 0.04 0.00 0.00 34.50 31.44 3g5b s PRO 702 CO -0.01 -0.09 1.44 0.00 0.04 0.00 0.00 177.00 178.38 3g5b h ALA 703 N 3.70 0.58 -3.08 8.56 0.00 -1.53 -3.43 119.26 124.07 3g5b h ALA 703 Ca -0.48 -0.57 -0.65 0.00 0.00 0.00 0.00 54.91 53.20 3g5b h ALA 703 Cb 1.22 -0.06 -0.26 0.00 0.00 0.00 0.00 17.79 18.70 3g5b h ALA 703 CO 0.67 0.72 -0.70 -1.17 0.00 0.00 0.00 179.25 178.78 3g5b s LEU 704 N -8.16 3.04 -0.18 0.00 2.96 -1.26 -5.02 118.68 110.05 3g5b s LEU 704 Ca -0.07 -0.30 -0.00 0.00 -0.22 0.00 0.00 54.13 53.53 3g5b s LEU 704 Cb 0.10 -1.77 0.05 0.00 0.50 0.00 0.00 46.19 45.07 3g5b s LEU 704 CO 0.85 0.03 -0.05 0.00 -1.32 0.00 0.00 176.35 175.87 3g5b n THR 706 N 4.85 0.04 -2.13 0.00 -2.24 -1.26 -5.03 114.28 108.51 3g5b n THR 706 Ca -0.12 -0.22 -0.27 0.00 -2.27 0.00 0.00 64.05 61.17 3g5b n THR 706 Cb 0.47 0.22 0.10 0.00 -2.10 0.00 0.00 70.33 69.02 3g5b n THR 706 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3g5b s SER 707 N -3.13 4.36 0.47 3.42 0.01 -1.26 -4.96 113.70 112.60 3g5b s SER 707 Ca -0.03 0.40 0.29 0.00 1.31 0.00 0.00 55.95 57.91 3g5b s SER 707 Cb 0.06 -0.86 0.93 0.00 0.21 0.00 0.00 66.02 66.35 3g5b s SER 707 CO 0.38 -1.92 1.82 -0.07 0.41 0.00 0.00 173.24 173.86 3g5b h LEU 708 N -0.90 0.00 -9.60 2.44 3.38 -1.96 -3.45 115.31 105.23 3g5b h LEU 708 Ca -0.44 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.01 3g5b h LEU 708 Cb 1.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 3g5b h LEU 708 CO 0.55 0.00 0.44 -0.70 0.09 0.00 0.00 178.44 178.82 3g5b s GLU 709 N -3.44 4.61 0.01 1.13 2.12 -1.26 -0.74 118.70 121.13 3g5b s GLU 709 Ca 0.04 1.62 0.00 0.00 0.36 0.00 0.00 54.97 57.00 3g5b s GLU 709 Cb 0.08 -3.33 -0.01 0.00 0.26 0.00 0.00 34.13 31.13 3g5b s GLU 709 CO 0.58 0.07 -0.02 -0.47 -0.54 0.00 0.00 175.26 174.88 3g5b s TYR 710 N 0.05 0.21 0.01 5.30 5.04 -0.64 -4.84 117.35 122.48 3g5b s TYR 710 Ca 0.50 -0.30 0.01 0.00 -2.44 0.00 0.00 57.07 54.83 3g5b s TYR 710 Cb -0.27 -0.14 -0.01 0.00 0.35 0.00 0.00 41.96 41.89 3g5b s TYR 710 CO 0.32 -0.10 -0.04 -1.12 -1.34 0.00 0.00 175.55 173.27 3g5b s SER 711 N -0.85 0.42 -0.10 4.32 0.01 -1.26 0.17 113.70 116.41 3g5b s SER 711 Ca -0.09 -0.25 0.02 0.00 1.31 0.00 0.00 55.95 56.95 3g5b s SER 711 Cb -0.06 0.01 -0.01 0.00 0.21 0.00 0.00 66.02 66.17 3g5b s SER 711 CO -0.00 -0.09 -0.17 -0.76 0.41 0.00 0.00 173.24 172.63 3g5b s LEU 712 N -0.68 2.50 -0.29 2.44 1.43 0.29 -4.14 118.68 120.23 3g5b s LEU 712 Ca -0.05 -0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 52.61 3g5b s LEU 712 Cb -0.05 -1.53 0.01 0.00 0.03 0.00 0.00 46.19 44.65 3g5b s LEU 712 CO -0.00 0.21 0.07 -0.13 0.23 0.00 0.00 176.35 176.73 3g5b s ARG 713 N 0.06 3.13 -0.45 1.70 0.52 0.12 -0.53 118.95 123.49 3g5b s ARG 713 Ca -0.07 -0.83 -0.09 0.00 -0.52 0.00 0.00 55.73 54.22 3g5b s ARG 713 Cb -0.15 -3.34 0.10 0.00 0.52 0.00 0.00 34.95 32.09 3g5b s ARG 713 CO 0.05 -0.41 0.31 0.08 0.02 0.00 0.00 175.30 175.35 3g5b s VAL 714 N 1.50 4.26 0.14 3.52 1.01 -0.44 -0.44 120.40 129.94 3g5b s VAL 714 Ca 0.03 -1.60 -0.23 0.00 0.00 0.00 0.00 61.98 60.17 3g5b s VAL 714 Cb -0.17 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.42 3g5b s VAL 714 CO 0.02 -0.66 0.71 -0.31 0.00 0.00 0.00 175.10 174.86 3g5b s TYR 715 N 1.40 3.88 -0.41 5.22 2.02 0.43 -1.72 117.35 128.16 3g5b s TYR 715 Ca 0.04 1.52 0.04 0.00 -0.37 0.00 0.00 57.07 58.30 3g5b s TYR 715 Cb -0.25 -2.68 0.11 0.00 -0.40 0.00 0.00 41.96 38.74 3g5b s TYR 715 CO 0.01 0.54 0.14 0.00 -1.57 0.00 0.00 175.55 174.67 3g5b s LEU 717 N 0.43 3.34 0.58 0.00 1.43 -0.48 -4.30 118.68 119.69 3g5b s LEU 717 Ca 0.14 -0.41 -0.21 0.00 -1.03 0.00 0.00 54.13 52.62 3g5b s LEU 717 Cb -0.22 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 3g5b s LEU 717 CO -0.05 0.07 1.35 -1.61 0.23 0.00 0.00 176.35 176.33 3g5b s GLU 718 N -3.10 2.93 -1.26 1.70 0.41 -1.26 -0.26 118.70 117.86 3g5b s GLU 718 Ca 0.28 2.20 -0.12 0.00 -0.41 0.00 0.00 54.97 56.93 3g5b s GLU 718 Cb -0.09 -2.12 0.16 0.00 -1.78 0.00 0.00 34.13 30.30 3g5b s GLU 718 CO 0.19 -1.34 1.68 -3.47 -0.49 0.00 0.00 175.26 171.84 3g5b n ASP 719 N -1.32 5.11 -4.09 -0.19 2.03 -0.58 -4.35 116.55 113.16 3g5b n ASP 719 Ca 0.12 -3.04 -0.13 0.00 0.52 0.00 0.00 54.79 52.26 3g5b n ASP 719 Cb 0.46 -1.53 -0.11 0.00 -0.72 0.00 0.00 41.12 39.21 3g5b n ASP 719 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3g5b s THR 720 N 1.12 0.64 0.23 5.18 -4.23 -1.26 -4.47 115.64 112.84 3g5b s THR 720 Ca 0.42 -1.20 -0.08 0.00 -1.18 0.00 0.00 61.69 59.65 3g5b s THR 720 Cb 0.04 -0.78 0.20 0.00 1.34 0.00 0.00 72.50 73.30 3g5b s THR 720 CO 0.00 -0.41 1.89 -0.65 -0.54 0.00 0.00 174.62 174.92 3g5b h PRO 721 N 4.31 1.10 -0.86 3.99 0.11 -1.84 -2.65 132.00 136.16 3g5b h PRO 721 Ca -0.36 -0.07 0.18 0.00 0.11 0.00 0.00 66.00 65.86 3g5b h PRO 721 Cb 1.20 -0.25 -0.11 0.00 0.11 0.00 0.00 31.00 31.95 3g5b h PRO 721 CO 0.43 0.73 0.40 0.00 -0.21 0.00 0.00 178.00 179.35 3g5b h ALA 722 N 1.33 1.34 -0.60 -0.75 0.00 -1.46 -0.15 119.26 118.97 3g5b h ALA 722 Ca 0.33 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.28 3g5b h ALA 722 Cb -0.08 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3g5b h ALA 722 CO -0.09 -0.23 0.04 0.00 0.00 0.00 0.00 179.25 178.97 3g5b h ALA 723 N 1.63 0.93 -0.00 0.00 0.00 -1.76 -2.22 119.26 117.85 3g5b h ALA 723 Ca 0.51 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3g5b h ALA 723 Cb 0.85 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3g5b h ALA 723 CO -0.45 0.65 -0.00 1.25 0.00 0.00 0.00 179.25 180.69 3g5b h LEU 724 N 0.94 0.01 -0.73 0.00 5.85 -1.17 -2.97 115.31 117.25 3g5b h LEU 724 Ca 0.18 -0.49 0.16 0.00 0.84 0.00 0.00 57.88 58.57 3g5b h LEU 724 Cb 0.49 -0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.41 3g5b h LEU 724 CO 0.02 0.50 0.11 0.50 -0.34 0.00 0.00 178.44 179.23 3g5b h LYS 725 N -0.48 0.19 -0.53 1.25 3.64 -1.04 -0.17 116.57 119.43 3g5b h LYS 725 Ca 0.00 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3g5b h LYS 725 Cb 0.49 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 3g5b h LYS 725 CO 0.00 0.13 0.31 1.49 -2.27 0.00 0.00 179.45 179.11 3g5b h GLU 726 N 0.20 0.60 -0.24 1.90 4.81 -1.38 -1.63 114.58 118.84 3g5b h GLU 726 Ca 0.40 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.41 3g5b h GLU 726 Cb 0.70 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.95 3g5b h GLU 726 CO -0.56 0.40 -0.59 0.28 -0.73 0.00 0.00 179.01 177.81 3g5b h VAL 727 N 0.62 1.29 -1.00 0.32 2.07 -1.19 -0.97 116.25 117.39 3g5b h VAL 727 Ca 0.21 -1.80 0.07 0.00 0.82 0.00 0.00 66.70 66.00 3g5b h VAL 727 Cb 0.03 1.73 -0.07 0.00 -1.52 0.00 0.00 31.29 31.46 3g5b h VAL 727 CO -0.10 0.58 0.64 -0.07 0.02 0.00 0.00 177.57 178.64 3g5b h LEU 728 N 0.59 1.02 -0.53 2.57 3.38 -0.87 0.51 115.31 121.99 3g5b h LEU 728 Ca 0.00 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3g5b h LEU 728 Cb 1.19 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 3g5b h LEU 728 CO 0.13 0.65 -0.04 -0.33 0.09 0.00 0.00 178.44 178.93 3g5b h GLU 729 N 1.16 0.96 -0.45 1.13 5.08 -1.05 -1.81 114.58 119.60 3g5b h GLU 729 Ca 0.43 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3g5b h GLU 729 Cb 0.18 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3g5b h GLU 729 CO -0.18 0.99 0.25 1.25 -1.00 0.00 0.00 179.01 180.32 3g5b h LEU 730 N 0.83 0.56 -0.96 1.33 5.85 -0.54 -3.13 115.31 119.24 3g5b h LEU 730 Ca 0.14 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 3g5b h LEU 730 Cb 0.59 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3g5b h LEU 730 CO 0.04 0.49 -0.46 -0.33 -0.34 0.00 0.00 178.44 177.83 3g5b h GLU 731 N 0.59 0.00 -0.74 1.25 4.39 -0.83 -2.19 114.58 117.04 3g5b h GLU 731 Ca 0.16 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.89 3g5b h GLU 731 Cb 0.05 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.66 3g5b h GLU 731 CO -0.03 0.46 0.47 -0.09 -1.16 0.00 0.00 179.01 178.67 3g5b h ARG 732 N 0.00 0.89 -0.43 2.33 2.43 -1.28 0.29 114.38 118.61 3g5b h ARG 732 Ca -0.00 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 58.97 3g5b h ARG 732 Cb 0.91 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 3g5b h ARG 732 CO 0.06 0.59 -0.30 1.79 -1.51 0.00 0.00 179.97 180.60 3g5b h THR 733 N 0.91 1.27 0.00 0.20 1.35 -1.42 -2.95 112.91 112.27 3g5b h THR 733 Ca 0.30 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 3g5b h THR 733 Cb 0.02 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 3g5b h THR 733 CO -0.11 0.50 0.00 0.18 -0.25 0.00 0.00 175.52 175.83 3g5b n LEU 734 N -4.08 0.00 -0.38 3.87 4.77 -0.86 -4.90 117.00 115.42 3g5b n LEU 734 Ca -0.01 0.35 -0.04 0.00 -0.03 0.00 0.00 56.01 56.28 3g5b n LEU 734 Cb 0.50 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 3g5b n LEU 734 CO 0.47 -0.05 -0.04 0.61 -1.33 0.00 0.00 177.39 177.05 3g5b n GLY 735 N 0.96 0.43 3.95 -0.72 0.00 0.51 -4.97 105.19 105.35 3g5b n GLY 735 Ca 0.11 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 45.09 3g5b n GLY 735 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g5b s GLY 736 N -2.89 1.59 0.04 -0.02 0.00 0.72 -1.38 107.32 105.38 3g5b s GLY 736 Ca 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 44.72 43.75 3g5b s GLY 736 CO 0.00 -0.79 -0.07 -2.52 0.00 0.00 0.00 173.10 169.72 3g5b s TYR 737 N -2.67 0.63 -0.22 1.90 1.13 0.11 -4.49 117.35 113.74 3g5b s TYR 737 Ca 0.50 -0.47 -0.29 0.00 -1.41 0.00 0.00 57.07 55.40 3g5b s TYR 737 Cb -0.10 -0.38 -0.02 0.00 -1.10 0.00 0.00 41.96 40.35 3g5b s TYR 737 CO 0.40 -0.09 1.56 -1.17 -2.51 0.00 0.00 175.55 173.74 3g5b s LEU 738 N -1.47 3.93 0.10 -3.49 2.96 -1.26 -2.20 118.68 117.25 3g5b s LEU 738 Ca -0.10 1.61 0.02 0.00 -0.22 0.00 0.00 54.13 55.45 3g5b s LEU 738 Cb -0.09 -3.53 -0.24 0.00 0.50 0.00 0.00 46.19 42.82 3g5b s LEU 738 CO 0.00 -1.19 1.22 -0.37 -1.32 0.00 0.00 176.35 174.70 3g5b h VAL 739 N 6.05 1.63 -4.03 1.68 -1.51 -1.61 -3.47 116.25 114.99 3g5b h VAL 739 Ca -0.33 -3.27 -0.11 0.00 -1.23 0.00 0.00 66.70 61.76 3g5b h VAL 739 Cb 1.15 2.89 -0.15 0.00 -2.13 0.00 0.00 31.29 33.04 3g5b h VAL 739 CO 1.00 0.94 -0.55 -1.61 -1.23 0.00 0.00 177.57 176.12 3g5b s GLU 740 N -2.69 0.68 0.45 5.19 2.02 -1.26 -4.97 118.70 118.11 3g5b s GLU 740 Ca -0.01 -1.05 -0.25 0.00 0.02 0.00 0.00 54.97 53.68 3g5b s GLU 740 Cb 0.09 0.26 -0.08 0.00 0.10 0.00 0.00 34.13 34.49 3g5b s GLU 740 CO 0.85 -0.17 1.37 0.39 0.02 0.00 0.00 175.26 177.72 3g5b n GLU 741 N 0.18 2.08 -1.07 1.61 1.02 -1.26 -4.65 120.64 118.55 3g5b n GLU 741 Ca -0.15 0.74 -0.33 0.00 -0.02 0.00 0.00 57.16 57.40 3g5b n GLU 741 Cb 0.61 -2.54 0.13 0.00 -0.02 0.00 0.00 31.44 29.62 3g5b n GLU 741 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3g5b n PRO 742 N -0.20 0.12 -4.70 3.49 -0.02 -1.26 -4.93 135.00 127.50 3g5b n PRO 742 Ca 0.06 0.12 -0.25 0.00 -2.02 0.00 0.00 63.50 61.41 3g5b n PRO 742 Cb 0.41 -2.40 -0.14 0.00 -0.02 0.00 0.00 33.50 31.35 3g5b n PRO 742 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3g5b s LYS 743 N -4.10 1.40 0.47 -0.52 1.02 -0.40 -4.89 119.74 112.72 3g5b s LYS 743 Ca 0.72 -0.86 -0.20 0.00 0.02 0.00 0.00 55.97 55.65 3g5b s LYS 743 Cb -0.29 -1.47 -0.09 0.00 -0.52 0.00 0.00 37.83 35.46 3g5b s LYS 743 CO 0.52 0.38 1.01 -1.25 -0.92 0.00 0.00 175.35 175.09 3g5b s PRO 744 N -0.98 3.94 -0.07 -1.68 0.04 -1.26 0.37 135.00 135.35 3g5b s PRO 744 Ca 0.07 1.28 -0.03 0.00 0.04 0.00 0.00 61.00 62.36 3g5b s PRO 744 Cb -0.08 -2.12 0.04 0.00 0.04 0.00 0.00 34.50 32.37 3g5b s PRO 744 CO 0.01 -0.30 0.17 -1.17 0.04 0.00 0.00 177.00 175.75 3g5b s LEU 745 N -3.38 0.67 0.05 -3.56 2.96 -0.27 -4.86 118.68 110.28 3g5b s LEU 745 Ca 0.66 0.35 -0.24 0.00 -0.22 0.00 0.00 54.13 54.67 3g5b s LEU 745 Cb -0.14 0.45 -0.06 0.00 0.50 0.00 0.00 46.19 46.94 3g5b s LEU 745 CO 0.18 -0.15 0.75 -0.76 -1.32 0.00 0.00 176.35 175.04 3g5b s LEU 746 N 1.17 4.46 -0.14 -0.68 1.43 -1.26 0.06 118.68 123.72 3g5b s LEU 746 Ca -0.09 1.44 0.00 0.00 -1.03 0.00 0.00 54.13 54.45 3g5b s LEU 746 Cb -0.11 -3.20 0.02 0.00 0.03 0.00 0.00 46.19 42.93 3g5b s LEU 746 CO -0.06 0.05 -0.13 0.12 0.23 0.00 0.00 176.35 176.55 3g5b s PHE 747 N -0.21 2.09 0.14 0.29 5.36 0.36 -4.48 117.98 121.53 3g5b s PHE 747 Ca 0.37 -1.16 -0.04 0.00 -0.96 0.00 0.00 56.93 55.14 3g5b s PHE 747 Cb -0.21 -1.55 -0.05 0.00 -0.34 0.00 0.00 43.02 40.87 3g5b s PHE 747 CO 0.23 -0.65 0.36 0.21 -1.46 0.00 0.00 175.22 173.90 3g5b s LYS 748 N 1.50 3.58 -1.18 10.12 2.20 -1.26 -0.69 119.74 134.00 3g5b s LYS 748 Ca 0.05 -0.16 -0.08 0.00 -0.36 0.00 0.00 55.97 55.41 3g5b s LYS 748 Cb -0.13 -2.87 -0.10 0.00 -1.51 0.00 0.00 37.83 33.22 3g5b s LYS 748 CO -0.10 0.48 2.74 -3.47 -0.36 0.00 0.00 175.35 174.64 3g5b n ASP 749 N 0.02 7.03 -0.31 1.43 2.03 0.06 -4.36 116.55 122.46 3g5b n ASP 749 Ca -0.03 -2.46 0.08 0.00 0.52 0.00 0.00 54.79 52.89 3g5b n ASP 749 Cb 0.52 -1.37 -0.01 0.00 -0.72 0.00 0.00 41.12 39.53 3g5b n ASP 749 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 3g5b n SER 750 N 3.62 1.47 0.00 1.67 3.41 -1.26 -4.30 113.62 118.22 3g5b n SER 750 Ca 0.63 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 3g5b n SER 750 Cb 0.28 0.54 0.00 0.00 -0.26 0.00 0.00 64.21 64.77 3g5b n SER 750 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3g5b n TYR 751 N -0.30 0.00 -3.22 7.33 4.01 -1.26 -5.02 117.16 118.70 3g5b n TYR 751 Ca 0.06 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.43 3g5b n TYR 751 Cb 0.31 -0.76 -0.06 0.00 -0.31 0.00 0.00 39.34 38.53 3g5b n TYR 751 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 3g5b s HIS 752 N -1.75 3.71 0.70 -0.72 3.76 -1.26 -4.77 115.29 114.96 3g5b s HIS 752 Ca 0.00 1.28 -0.11 0.00 -0.15 0.00 0.00 55.06 56.08 3g5b s HIS 752 Cb 0.00 -2.52 0.01 0.00 1.11 0.00 0.00 32.58 31.18 3g5b s HIS 752 CO 0.00 0.46 1.06 -0.80 -0.85 0.00 0.00 174.74 174.62 3g5b s ASN 753 N -1.44 5.34 0.24 1.40 0.01 -1.26 -4.51 114.94 114.71 3g5b s ASN 753 Ca 0.36 1.64 -0.30 0.00 -0.71 0.00 0.00 52.86 53.86 3g5b s ASN 753 Cb -0.18 -2.50 -0.09 0.00 0.41 0.00 0.00 41.25 38.89 3g5b s ASN 753 CO 0.20 -1.47 0.94 -0.76 -1.51 0.00 0.00 177.10 174.50 3g5b s LEU 754 N -5.51 4.65 -0.06 0.60 1.43 -0.78 -1.91 118.68 117.10 3g5b s LEU 754 Ca 0.59 1.94 0.04 0.00 -1.03 0.00 0.00 54.13 55.66 3g5b s LEU 754 Cb -0.14 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.48 3g5b s LEU 754 CO 0.54 0.16 -0.17 -0.60 0.23 0.00 0.00 176.35 176.51 3g5b s ARG 755 N -1.16 1.92 -0.07 1.70 3.52 0.10 -1.31 118.95 123.65 3g5b s ARG 755 Ca 0.41 -0.59 0.01 0.00 -0.13 0.00 0.00 55.73 55.44 3g5b s ARG 755 Cb -0.26 -1.60 0.02 0.00 -1.56 0.00 0.00 34.95 31.55 3g5b s ARG 755 CO 0.32 0.17 -0.09 -0.51 -0.81 0.00 0.00 175.30 174.38 3g5b s LEU 756 N 0.25 1.47 0.05 -0.88 1.02 0.11 -1.81 118.68 118.90 3g5b s LEU 756 Ca -0.09 -0.25 -0.07 0.00 0.02 0.00 0.00 54.13 53.74 3g5b s LEU 756 Cb -0.14 -0.73 -0.01 0.00 0.02 0.00 0.00 46.19 45.34 3g5b s LEU 756 CO 0.03 -0.02 0.13 -0.94 0.02 0.00 0.00 176.35 175.57 3g5b s SER 757 N 0.93 0.16 -0.04 2.29 1.04 -0.88 0.44 113.70 117.64 3g5b s SER 757 Ca -0.10 -0.57 0.01 0.00 0.48 0.00 0.00 55.95 55.76 3g5b s SER 757 Cb -0.15 0.26 -0.03 0.00 0.10 0.00 0.00 66.02 66.20 3g5b s SER 757 CO 0.01 -0.58 -0.01 -0.76 0.98 0.00 0.00 173.24 172.87 3g5b s LEU 758 N -2.37 3.45 0.19 2.42 1.43 -1.26 -1.42 118.68 121.12 3g5b s LEU 758 Ca -0.01 0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.10 3g5b s LEU 758 Cb 0.01 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 3g5b s LEU 758 CO -0.06 0.32 0.10 -1.00 0.23 0.00 0.00 176.35 175.94 3g5b s HIS 759 N -0.98 1.15 -1.50 0.29 3.76 0.62 -4.91 115.29 113.73 3g5b s HIS 759 Ca 0.16 -1.30 -0.13 0.00 -0.15 0.00 0.00 55.06 53.65 3g5b s HIS 759 Cb -0.11 -0.60 0.08 0.00 1.11 0.00 0.00 32.58 33.06 3g5b s HIS 759 CO 0.06 -0.55 0.87 -0.25 -0.85 0.00 0.00 174.74 174.03 3g5b n ASP 760 N -0.26 -4.74 -4.74 1.40 8.00 -1.26 -0.82 116.55 114.13 3g5b n ASP 760 Ca -0.00 -0.68 -0.41 0.00 0.71 0.00 0.00 54.79 54.41 3g5b n ASP 760 Cb 0.65 -3.81 -0.04 0.00 -0.02 0.00 0.00 41.12 37.91 3g5b n ASP 760 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3g5b s ILE 761 N -3.22 3.55 -0.77 0.53 1.01 -1.26 -4.20 121.20 116.83 3g5b s ILE 761 Ca 0.60 1.37 -0.25 0.00 0.00 0.00 0.00 60.65 62.36 3g5b s ILE 761 Cb -0.30 -3.87 -0.03 0.00 0.01 0.00 0.00 42.46 38.27 3g5b s ILE 761 CO 0.74 0.25 1.84 -2.84 0.00 0.00 0.00 174.94 174.93 3g5b s PRO 762 N -0.59 2.68 0.43 2.79 0.02 -1.26 -4.80 135.00 134.27 3g5b s PRO 762 Ca 0.50 0.07 0.11 0.00 0.02 0.00 0.00 61.00 61.70 3g5b s PRO 762 Cb -0.32 -4.73 0.95 0.00 0.02 0.00 0.00 34.50 30.42 3g5b s PRO 762 CO 0.38 -2.96 2.02 0.45 -0.33 0.00 0.00 177.00 176.56 3g5b h HIS 763 N 12.79 0.24 -0.42 6.54 3.86 -1.93 0.26 115.15 136.49 3g5b h HIS 763 Ca -0.08 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.24 3g5b h HIS 763 Cb 1.08 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 29.46 3g5b h HIS 763 CO 1.14 0.25 0.30 0.00 0.86 0.00 0.00 177.93 180.48 3g5b h ALA 764 N 1.78 2.39 0.00 2.45 0.00 -2.03 -3.28 119.26 120.56 3g5b h ALA 764 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3g5b h ALA 764 Cb 0.16 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3g5b h ALA 764 CO 0.00 -0.52 -0.73 0.72 0.00 0.00 0.00 179.25 178.72 3g5b n HIS 765 N -4.40 0.00 -4.44 0.00 8.25 -0.79 -4.96 115.22 108.89 3g5b n HIS 765 Ca 0.07 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.29 3g5b n HIS 765 Cb 0.50 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.48 3g5b n HIS 765 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3g5b s TRP 766 N -1.54 1.72 0.01 4.41 0.52 0.83 -1.19 118.94 123.71 3g5b s TRP 766 Ca 0.00 -0.39 -0.03 0.00 0.02 0.00 0.00 56.10 55.69 3g5b s TRP 766 Cb 0.00 -0.99 -0.01 0.00 -1.15 0.00 0.00 33.47 31.32 3g5b s TRP 766 CO 0.00 0.13 0.04 -0.98 0.02 0.00 0.00 176.95 176.17 3g5b s ARG 767 N -1.52 0.40 0.15 4.98 1.70 -0.43 -4.09 118.95 120.14 3g5b s ARG 767 Ca 0.06 -0.54 -0.25 0.00 -0.47 0.00 0.00 55.73 54.53 3g5b s ARG 767 Cb -0.09 0.15 -0.08 0.00 -0.57 0.00 0.00 34.95 34.36 3g5b s ARG 767 CO 0.03 -0.08 0.75 0.45 -1.08 0.00 0.00 175.30 175.37 3g5b s SER 768 N -1.48 7.34 0.00 -2.89 0.15 -1.26 -0.51 113.70 115.05 3g5b s SER 768 Ca -0.15 1.59 0.26 0.00 0.70 0.00 0.00 55.95 58.35 3g5b s SER 768 Cb -0.08 -2.48 0.71 0.00 -1.71 0.00 0.00 66.02 62.46 3g5b s SER 768 CO -0.00 0.21 1.56 0.29 1.20 0.00 0.00 173.24 176.50 3g5b n LYS 769 N 1.67 0.05 -3.25 5.44 5.02 0.33 -4.87 118.16 122.54 3g5b n LYS 769 Ca -0.06 -0.02 -0.38 0.00 -2.02 0.00 0.00 58.31 55.82 3g5b n LYS 769 Cb 0.49 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.94 3g5b n LYS 769 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3g5b s LEU 770 N -2.97 4.52 -0.00 -0.35 2.96 -1.26 -5.00 118.68 116.58 3g5b s LEU 770 Ca 0.13 1.29 -0.25 0.00 -0.22 0.00 0.00 54.13 55.07 3g5b s LEU 770 Cb 0.18 -2.96 -0.20 0.00 0.50 0.00 0.00 46.19 43.71 3g5b s LEU 770 CO 0.65 0.26 1.34 0.25 -1.32 0.00 0.00 176.35 177.52 3g5b h LEU 771 N 4.45 0.00 -9.98 -0.68 6.46 -2.00 -3.45 115.31 110.11 3g5b h LEU 771 Ca -0.49 -0.41 -0.54 0.00 -0.12 0.00 0.00 57.88 56.31 3g5b h LEU 771 Cb 1.21 -0.00 0.11 0.00 -0.73 0.00 0.00 40.66 41.26 3g5b h LEU 771 CO 0.64 0.41 0.70 0.00 -0.62 0.00 0.00 178.44 179.57 3g5b s ALA 772 N -4.55 3.28 -0.49 1.25 0.00 -1.26 -4.93 121.76 115.06 3g5b s ALA 772 Ca -0.15 1.45 0.24 0.00 0.00 0.00 0.00 51.96 53.50 3g5b s ALA 772 Cb 0.02 -3.58 0.41 0.00 0.00 0.00 0.00 23.12 19.97 3g5b s ALA 772 CO 0.67 -1.14 1.59 0.87 0.00 0.00 0.00 175.76 177.75 3g5b h LYS 773 N 2.44 0.00 -3.99 0.00 6.56 -1.98 -3.46 116.57 116.14 3g5b h LYS 773 Ca -0.51 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 58.96 3g5b h LYS 773 Cb 1.26 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 32.80 3g5b h LYS 773 CO 0.62 0.00 -0.34 1.52 -2.06 0.00 0.00 179.45 179.18 3g5b s TYR 774 N -3.20 0.55 0.23 -1.35 1.13 -1.26 -4.46 117.35 108.99 3g5b s TYR 774 Ca 0.07 -0.89 0.11 0.00 -1.41 0.00 0.00 57.07 54.95 3g5b s TYR 774 Cb 0.07 -0.11 -0.05 0.00 -1.10 0.00 0.00 41.96 40.77 3g5b s TYR 774 CO 0.67 -0.76 -0.17 -0.65 -2.51 0.00 0.00 175.55 172.12 3g5b s GLN 775 N -4.02 1.76 0.05 -3.49 -0.21 0.17 -4.96 119.66 108.96 3g5b s GLN 775 Ca 0.23 -1.55 0.05 0.00 0.02 0.00 0.00 55.36 54.11 3g5b s GLN 775 Cb 0.03 -1.91 -0.03 0.00 1.00 0.00 0.00 33.01 32.11 3g5b s GLN 775 CO 0.05 0.38 -0.15 -1.21 -2.12 0.00 0.00 175.29 172.24 3g5b s GLU 776 N -3.10 0.92 -0.18 2.91 2.02 -1.26 0.09 118.70 120.09 3g5b s GLU 776 Ca 0.26 -0.86 -0.04 0.00 0.02 0.00 0.00 54.97 54.35 3g5b s GLU 776 Cb -0.07 -0.95 -0.02 0.00 0.10 0.00 0.00 34.13 33.20 3g5b s GLU 776 CO 0.14 0.23 -0.04 0.42 0.02 0.00 0.00 175.26 176.02 3g5b s ILE 777 N -1.02 3.61 0.32 -1.63 1.01 -0.43 -4.99 121.20 118.07 3g5b s ILE 777 Ca 0.01 -0.44 -0.29 0.00 0.00 0.00 0.00 60.65 59.93 3g5b s ILE 777 Cb -0.09 -2.60 -0.12 0.00 0.01 0.00 0.00 42.46 39.66 3g5b s ILE 777 CO 0.02 0.46 1.37 -2.65 0.00 0.00 0.00 174.94 174.14 3g5b n PRO 778 N 4.12 2.25 -0.23 2.79 -0.02 -1.26 -1.86 135.00 140.79 3g5b n PRO 778 Ca -0.18 0.79 0.04 0.00 -2.02 0.00 0.00 63.50 62.13 3g5b n PRO 778 Cb 0.52 -2.43 0.14 0.00 -0.02 0.00 0.00 33.50 31.71 3g5b n PRO 778 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3g5b h PHE 779 N 3.15 0.07 -0.18 6.00 3.57 -1.86 -1.15 116.94 126.54 3g5b h PHE 779 Ca -0.47 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.02 3g5b h PHE 779 Cb 1.27 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 3g5b h PHE 779 CO 0.53 -0.15 -0.14 1.88 -2.23 0.00 0.00 178.31 178.20 3g5b h TYR 780 N 0.17 0.31 -0.23 0.41 0.05 -1.92 0.90 116.97 116.65 3g5b h TYR 780 Ca 0.38 -0.04 -0.07 0.00 0.05 0.00 0.00 58.73 59.04 3g5b h TYR 780 Cb 0.64 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 3g5b h TYR 780 CO -0.34 0.43 -0.17 0.45 -1.05 0.00 0.00 178.16 177.48 3g5b h HIS 781 N 0.28 0.44 0.12 4.88 3.86 -1.58 -1.22 115.15 121.92 3g5b h HIS 781 Ca 0.05 -0.07 -0.20 0.00 -1.16 0.00 0.00 60.37 58.99 3g5b h HIS 781 Cb 0.41 -0.12 0.02 0.00 1.06 0.00 0.00 27.41 28.79 3g5b h HIS 781 CO 0.01 0.56 -0.85 0.28 0.86 0.00 0.00 177.93 178.79 3g5b h VAL 782 N 0.37 1.46 -0.14 2.45 2.07 -1.15 -3.39 116.25 117.92 3g5b h VAL 782 Ca 0.07 -2.44 -0.01 0.00 0.82 0.00 0.00 66.70 65.13 3g5b h VAL 782 Cb 0.52 3.02 -0.01 0.00 -1.52 0.00 0.00 31.29 33.30 3g5b h VAL 782 CO 0.03 0.70 0.05 -0.25 0.02 0.00 0.00 177.57 178.12 3g5b h TRP 783 N -0.22 0.23 -0.10 1.57 2.91 -0.71 -3.36 115.95 116.27 3g5b h TRP 783 Ca -0.14 -0.02 -0.12 0.00 1.13 0.00 0.00 58.89 59.74 3g5b h TRP 783 Cb 1.63 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 30.20 3g5b h TRP 783 CO 0.17 0.33 -0.47 -0.91 -1.03 0.00 0.00 178.44 176.54 3g5b h ASN 784 N 0.06 0.25 -4.03 2.65 -0.26 -1.41 -3.44 115.58 109.38 3g5b h ASN 784 Ca 0.05 -0.12 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 3g5b h ASN 784 Cb 0.21 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 3g5b h ASN 784 CO -0.00 0.69 0.00 0.61 -1.06 0.00 0.00 177.43 177.67 3g5b n GLY 785 N -0.05 -2.13 2.49 2.83 0.00 -1.26 -1.77 105.19 105.31 3g5b n GLY 785 Ca -0.02 -1.47 -0.20 0.00 0.00 0.00 0.00 46.02 44.33 3g5b n GLY 785 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3g5b n SER 786 N 0.72 -5.56 -4.23 1.61 7.64 -1.26 -4.86 113.62 107.67 3g5b n SER 786 Ca 0.00 0.27 -0.33 0.00 1.01 0.00 0.00 58.87 59.82 3g5b n SER 786 Cb 0.00 -4.79 -0.15 0.00 -1.01 0.00 0.00 64.21 58.26 3g5b n SER 786 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3g5b s GLN 787 N -4.32 3.18 -0.13 1.43 -0.21 -1.26 -4.38 119.66 113.96 3g5b s GLN 787 Ca 0.00 -0.75 -0.29 0.00 0.02 0.00 0.00 55.36 54.34 3g5b s GLN 787 Cb 0.00 -2.68 -0.03 0.00 1.00 0.00 0.00 33.01 31.30 3g5b s GLN 787 CO 0.00 -0.08 1.41 0.21 -2.12 0.00 0.00 175.29 174.71 3g5b s LYS 788 N 1.07 4.19 -1.06 2.91 2.20 -1.26 -4.25 119.74 123.53 3g5b s LYS 788 Ca -0.00 1.83 -0.18 0.00 -0.36 0.00 0.00 55.97 57.26 3g5b s LYS 788 Cb -0.14 -3.86 -0.00 0.00 -1.51 0.00 0.00 37.83 32.32 3g5b s LYS 788 CO -0.04 -0.79 0.75 0.00 -0.36 0.00 0.00 175.35 174.91 3g5b n ALA 789 N 6.90 -2.59 -1.77 3.13 0.00 -1.26 -4.87 120.51 120.05 3g5b n ALA 789 Ca 0.15 -0.25 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 3g5b n ALA 789 Cb 0.44 -3.32 -0.03 0.00 0.00 0.00 0.00 19.45 16.54 3g5b n ALA 789 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3g5b s LEU 790 N -6.12 4.37 0.16 0.00 1.43 -1.26 -4.91 118.68 112.35 3g5b s LEU 790 Ca 0.37 2.82 -0.18 0.00 -1.03 0.00 0.00 54.13 56.11 3g5b s LEU 790 Cb -0.14 -3.60 0.04 0.00 0.03 0.00 0.00 46.19 42.52 3g5b s LEU 790 CO 0.86 -0.94 0.49 -1.38 0.23 0.00 0.00 176.35 175.61 3g5b s HIS 791 N 1.12 -0.23 0.02 0.29 -3.43 -1.26 0.27 115.29 112.08 3g5b s HIS 791 Ca 0.73 -0.08 0.07 0.00 -0.80 0.00 0.00 55.06 54.98 3g5b s HIS 791 Cb -0.48 0.37 -0.03 0.00 -1.43 0.00 0.00 32.58 31.00 3g5b s HIS 791 CO 0.32 -0.82 -0.20 0.00 -2.00 0.00 0.00 174.74 172.05 3g5b s THR 793 N -0.85 4.98 -0.13 0.00 2.01 -1.26 -1.33 115.64 119.07 3g5b s THR 793 Ca 0.13 0.03 -0.02 0.00 0.31 0.00 0.00 61.69 62.15 3g5b s THR 793 Cb -0.10 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.14 3g5b s THR 793 CO 0.03 0.47 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.01 3g5b s PHE 794 N 0.24 2.96 -0.12 4.92 0.08 0.31 -4.98 117.98 121.39 3g5b s PHE 794 Ca 0.05 -0.28 0.03 0.00 0.12 0.00 0.00 56.93 56.85 3g5b s PHE 794 Cb -0.12 -1.87 0.00 0.00 -0.57 0.00 0.00 43.02 40.47 3g5b s PHE 794 CO -0.00 0.03 -0.23 0.99 -0.10 0.00 0.00 175.22 175.91 3g5b s THR 795 N 0.04 2.09 0.34 0.64 2.01 -1.26 -0.55 115.64 118.95 3g5b s THR 795 Ca -0.01 -0.99 0.08 0.00 0.31 0.00 0.00 61.69 61.08 3g5b s THR 795 Cb -0.14 -1.82 -0.07 0.00 0.01 0.00 0.00 72.50 70.49 3g5b s THR 795 CO 0.03 0.55 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.70 3g5b s LEU 796 N 0.60 2.67 -0.05 4.42 1.43 0.13 -0.52 118.68 127.37 3g5b s LEU 796 Ca -0.12 -1.25 -0.02 0.00 -1.03 0.00 0.00 54.13 51.71 3g5b s LEU 796 Cb -0.17 -0.86 0.04 0.00 0.03 0.00 0.00 46.19 45.23 3g5b s LEU 796 CO 0.03 -0.32 0.09 -0.70 0.23 0.00 0.00 176.35 175.68 3g5b s GLU 797 N -3.68 -0.02 0.19 1.70 2.56 0.33 -1.62 118.70 118.17 3g5b s GLU 797 Ca 0.33 0.38 -0.08 0.00 0.00 0.00 0.00 54.97 55.60 3g5b s GLU 797 Cb 0.05 -0.35 -0.07 0.00 2.00 0.00 0.00 34.13 35.76 3g5b s GLU 797 CO 0.16 -0.27 0.49 -0.98 -0.56 0.00 0.00 175.26 174.10 3g5b s ARG 798 N 1.84 3.75 0.14 4.30 1.70 0.08 -1.31 118.95 129.46 3g5b s ARG 798 Ca -0.00 0.17 -0.15 0.00 -0.47 0.00 0.00 55.73 55.28 3g5b s ARG 798 Cb -0.12 -2.74 0.01 0.00 -0.57 0.00 0.00 34.95 31.52 3g5b s ARG 798 CO -0.04 0.38 1.66 0.45 -1.08 0.00 0.00 175.30 176.67 3g5b h HIS 799 N 2.75 0.70 -3.82 5.89 3.86 -1.49 -3.45 115.15 119.59 3g5b h HIS 799 Ca -0.47 -0.07 -0.09 0.00 -1.16 0.00 0.00 60.37 58.58 3g5b h HIS 799 Cb 1.17 -0.20 -0.12 0.00 1.06 0.00 0.00 27.41 29.32 3g5b h HIS 799 CO 0.62 0.64 -0.27 -1.54 0.86 0.00 0.00 177.93 178.24 3g5b s SER 800 N -5.99 -0.01 0.28 2.45 1.04 -1.26 -5.04 113.70 105.18 3g5b s SER 800 Ca -0.13 -0.86 0.21 0.00 0.48 0.00 0.00 55.95 55.65 3g5b s SER 800 Cb 0.11 0.47 1.04 0.00 0.10 0.00 0.00 66.02 67.73 3g5b s SER 800 CO 0.77 -0.94 1.64 0.18 0.98 0.00 0.00 173.24 175.87 3g5b n LEU 801 N -0.25 0.56 -0.17 2.42 4.32 -1.26 -2.17 117.00 120.44 3g5b n LEU 801 Ca -0.06 0.71 -0.01 0.00 -0.02 0.00 0.00 56.01 56.63 3g5b n LEU 801 Cb 0.63 -0.72 0.23 0.00 -1.62 0.00 0.00 43.42 41.94 3g5b n LEU 801 CO 0.24 -0.78 1.13 0.00 -1.22 0.00 0.00 177.39 176.76 3g5b h ALA 802 N 2.10 1.37 -1.62 -1.18 0.00 -2.00 -3.38 119.26 114.55 3g5b h ALA 802 Ca 0.00 -0.11 -0.50 0.00 0.00 0.00 0.00 54.91 54.30 3g5b h ALA 802 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3g5b h ALA 802 CO 0.00 0.51 1.50 -1.12 0.00 0.00 0.00 179.25 180.13 3g5b s SER 803 N -6.46 4.93 0.00 0.00 0.01 -0.92 -4.74 113.70 106.51 3g5b s SER 803 Ca -0.10 0.91 0.02 0.00 1.31 0.00 0.00 55.95 58.09 3g5b s SER 803 Cb 0.17 -2.51 0.06 0.00 0.21 0.00 0.00 66.02 63.94 3g5b s SER 803 CO 0.79 -2.53 1.00 0.35 0.41 0.00 0.00 173.24 173.25 3g5b n THR 804 N 7.66 0.88 -4.00 1.44 -2.24 -1.26 -4.90 114.28 111.86 3g5b n THR 804 Ca 0.29 -0.94 -0.19 0.00 -2.27 0.00 0.00 64.05 60.94 3g5b n THR 804 Cb 0.52 0.56 -0.16 0.00 -2.10 0.00 0.00 70.33 69.15 3g5b n THR 804 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3g5b s GLU 805 N -0.90 0.57 -0.07 -0.78 2.02 -1.26 0.21 118.70 118.49 3g5b s GLU 805 Ca 0.05 0.01 0.04 0.00 0.02 0.00 0.00 54.97 55.09 3g5b s GLU 805 Cb 0.02 -0.71 -0.02 0.00 0.10 0.00 0.00 34.13 33.53 3g5b s GLU 805 CO 0.03 -0.14 -0.20 0.12 0.02 0.00 0.00 175.26 175.09 3g5b s PHE 806 N 1.14 2.58 0.02 1.61 5.36 -0.87 -5.00 117.98 122.82 3g5b s PHE 806 Ca -0.08 -0.52 0.02 0.00 -0.96 0.00 0.00 56.93 55.39 3g5b s PHE 806 Cb -0.14 -1.65 -0.01 0.00 -0.34 0.00 0.00 43.02 40.88 3g5b s PHE 806 CO -0.01 -0.09 -0.07 0.95 -1.46 0.00 0.00 175.22 174.54 3g5b s THR 807 N -0.27 0.54 0.03 0.12 -4.23 -1.26 -1.25 115.64 109.32 3g5b s THR 807 Ca 0.00 -0.69 -0.29 0.00 -1.18 0.00 0.00 61.69 59.53 3g5b s THR 807 Cb -0.13 -0.53 0.10 0.00 1.34 0.00 0.00 72.50 73.28 3g5b s THR 807 CO 0.03 -0.12 1.12 0.00 -0.54 0.00 0.00 174.62 175.10 3g5b s LYS 809 N -2.81 3.98 -0.19 0.00 2.20 0.00 -0.61 119.74 122.31 3g5b s LYS 809 Ca 0.12 -0.33 -0.04 0.00 -0.36 0.00 0.00 55.97 55.36 3g5b s LYS 809 Cb 0.01 -3.34 -0.02 0.00 -1.51 0.00 0.00 37.83 32.97 3g5b s LYS 809 CO -0.02 0.15 -0.02 0.08 -0.36 0.00 0.00 175.35 175.18 3g5b s VAL 810 N 0.74 3.83 -0.13 4.02 1.01 0.01 -0.28 120.40 129.60 3g5b s VAL 810 Ca 0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 3g5b s VAL 810 Cb -0.13 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 3g5b s VAL 810 CO 0.02 0.45 -0.11 0.00 0.00 0.00 0.00 175.10 175.45 3g5b s VAL 812 N 0.35 1.16 0.02 0.00 1.01 -0.36 -2.07 120.40 120.51 3g5b s VAL 812 Ca -0.10 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.36 3g5b s VAL 812 Cb -0.16 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.11 3g5b s VAL 812 CO 0.05 0.39 0.29 0.00 0.00 0.00 0.00 175.10 175.83 3g5b s ARG 813 N 1.50 0.75 -0.11 2.72 1.70 -0.75 0.29 118.95 125.05 3g5b s ARG 813 Ca 0.02 -0.41 -0.19 0.00 -0.47 0.00 0.00 55.73 54.68 3g5b s ARG 813 Cb -0.13 0.32 -0.04 0.00 -0.57 0.00 0.00 34.95 34.53 3g5b s ARG 813 CO -0.07 -0.23 0.51 -1.14 -1.08 0.00 0.00 175.30 173.30 3g5b s GLN 814 N -2.11 4.35 0.19 3.89 0.74 0.43 0.03 119.66 127.17 3g5b s GLN 814 Ca -0.08 0.51 -0.33 0.00 0.05 0.00 0.00 55.36 55.51 3g5b s GLN 814 Cb -0.02 -3.44 -0.14 0.00 1.10 0.00 0.00 33.01 30.50 3g5b s GLN 814 CO -0.01 0.13 1.42 0.28 -0.55 0.00 0.00 175.29 176.56 3g5b n VAL 815 N 3.72 0.53 -1.03 1.34 0.31 -0.80 -0.29 118.33 122.11 3g5b n VAL 815 Ca -0.06 -0.13 -0.01 0.00 -0.01 0.00 0.00 64.34 64.13 3g5b n VAL 815 Cb 0.52 -1.33 -0.00 0.00 -0.91 0.00 0.00 33.84 32.11 3g5b n VAL 815 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3g5b n GLU 816 N 2.49 -1.87 0.00 5.55 4.07 -1.26 -4.77 120.64 124.84 3g5b n GLU 816 Ca 0.15 0.51 0.00 0.00 -0.06 0.00 0.00 57.16 57.76 3g5b n GLU 816 Cb 0.28 -4.93 0.00 0.00 -0.06 0.00 0.00 31.44 26.73 3g5b n GLU 816 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3g5b n GLY 817 N 0.73 5.28 3.84 8.31 0.00 0.60 -5.14 105.19 118.80 3g5b n GLY 817 Ca -0.01 -1.48 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 3g5b n GLY 817 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g5b s GLU 818 N 3.51 2.40 0.05 1.61 2.02 -1.26 -4.71 118.70 122.33 3g5b s GLU 818 Ca 0.00 0.57 -0.18 0.00 0.02 0.00 0.00 54.97 55.38 3g5b s GLU 818 Cb 0.00 -1.96 0.04 0.00 0.10 0.00 0.00 34.13 32.31 3g5b s GLU 818 CO 0.00 -1.38 0.41 0.20 0.02 0.00 0.00 175.26 174.51 3g5b s GLY 819 N -4.08 -0.28 0.16 -1.39 0.00 -1.26 -0.43 107.32 100.03 3g5b s GLY 819 Ca 0.60 0.27 0.08 0.00 0.00 0.00 0.00 44.72 45.67 3g5b s GLY 819 CO 0.53 0.01 -0.18 1.20 0.00 0.00 0.00 173.10 174.66 3g5b s GLN 820 N -2.63 1.25 -0.08 2.90 -1.52 0.15 -4.97 119.66 114.75 3g5b s GLN 820 Ca -0.04 -1.38 0.03 0.00 -1.95 0.00 0.00 55.36 52.02 3g5b s GLN 820 Cb -0.00 -1.31 0.01 0.00 -0.22 0.00 0.00 33.01 31.48 3g5b s GLN 820 CO -0.03 0.27 -0.18 0.42 -0.25 0.00 0.00 175.29 175.52 3g5b s ILE 821 N -1.98 1.57 -0.22 1.08 1.01 -1.26 -1.22 121.20 120.19 3g5b s ILE 821 Ca 0.15 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 59.99 3g5b s ILE 821 Cb -0.06 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 3g5b s ILE 821 CO 0.06 0.45 0.05 -0.36 0.00 0.00 0.00 174.94 175.14 3g5b s PHE 822 N 0.51 3.11 -0.62 3.97 0.08 0.83 -4.96 117.98 120.90 3g5b s PHE 822 Ca -0.17 -0.29 -0.21 0.00 0.12 0.00 0.00 56.93 56.38 3g5b s PHE 822 Cb -0.17 -2.15 0.08 0.00 -0.57 0.00 0.00 43.02 40.21 3g5b s PHE 822 CO 0.06 -0.18 0.86 -0.65 -0.10 0.00 0.00 175.22 175.22 3g5b s GLN 823 N 1.09 3.11 0.02 0.44 -1.52 -1.26 -0.81 119.66 120.73 3g5b s GLN 823 Ca 0.04 -0.93 -0.14 0.00 -1.95 0.00 0.00 55.36 52.37 3g5b s GLN 823 Cb -0.14 -4.22 -0.06 0.00 -0.22 0.00 0.00 33.01 28.37 3g5b s GLN 823 CO 0.03 -1.67 0.42 -1.17 -0.25 0.00 0.00 175.29 172.65 3g5b s LEU 824 N 3.55 4.45 -0.26 2.90 0.20 0.22 -4.99 118.68 124.75 3g5b s LEU 824 Ca 0.19 0.95 -0.01 0.00 0.69 0.00 0.00 54.13 55.95 3g5b s LEU 824 Cb -0.19 -2.70 0.14 0.00 -0.43 0.00 0.00 46.19 43.01 3g5b s LEU 824 CO 0.10 0.29 0.39 -2.28 -0.29 0.00 0.00 176.35 174.56 3g5b s HIS 825 N -1.16 -0.90 0.41 5.38 2.46 -1.26 -2.72 115.29 117.51 3g5b s HIS 825 Ca 0.26 0.69 0.07 0.00 0.47 0.00 0.00 55.06 56.55 3g5b s HIS 825 Cb -0.16 -0.03 -0.07 0.00 -0.13 0.00 0.00 32.58 32.19 3g5b s HIS 825 CO 0.15 -0.81 0.06 0.95 -2.47 0.00 0.00 174.74 172.62 3g5b s THR 826 N 2.55 2.10 0.04 0.89 -4.23 -0.38 -4.99 115.64 111.61 3g5b s THR 826 Ca 0.12 -1.91 0.06 0.00 -1.18 0.00 0.00 61.69 58.78 3g5b s THR 826 Cb -0.14 -3.00 -0.02 0.00 1.34 0.00 0.00 72.50 70.68 3g5b s THR 826 CO -0.21 -0.00 -0.18 0.42 -0.54 0.00 0.00 174.62 174.11 3g5b s THR 827 N -2.67 1.40 -0.47 3.99 -4.23 -1.26 -2.05 115.64 110.36 3g5b s THR 827 Ca 0.37 -1.06 0.02 0.00 -1.18 0.00 0.00 61.69 59.83 3g5b s THR 827 Cb 0.08 -1.23 0.12 0.00 1.34 0.00 0.00 72.50 72.81 3g5b s THR 827 CO 0.19 0.14 0.22 -0.76 -0.54 0.00 0.00 174.62 173.88 3g5b s LEU 828 N -1.07 4.79 0.00 4.79 1.02 0.13 -4.97 118.68 123.37 3g5b s LEU 828 Ca 0.05 -2.56 0.00 0.00 0.02 0.00 0.00 54.13 51.64 3g5b s LEU 828 Cb -0.08 -1.71 0.00 0.00 0.02 0.00 0.00 46.19 44.42 3g5b s LEU 828 CO 0.01 -0.36 0.00 0.35 0.02 0.00 0.00 176.35 176.38 3g5b n THR 848 N 3.78 0.00 -3.66 5.49 -2.24 -1.26 -4.80 114.28 111.59 3g5b n THR 848 Ca 0.04 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.59 3g5b n THR 848 Cb 0.38 0.00 -0.17 0.00 -2.10 0.00 0.00 70.33 68.43 3g5b n THR 848 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3g5b s THR 849 N -0.10 -0.02 0.01 4.28 2.01 -1.26 -0.39 115.64 120.16 3g5b s THR 849 Ca 0.00 0.13 0.06 0.00 0.31 0.00 0.00 61.69 62.18 3g5b s THR 849 Cb 0.00 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 72.09 3g5b s THR 849 CO 0.00 -0.01 -0.17 -1.10 -0.69 0.00 0.00 174.62 172.65 3g5b s GLN 850 N 2.12 2.23 0.08 4.92 -0.21 -0.40 -4.99 119.66 123.42 3g5b s GLN 850 Ca 0.04 -0.88 0.05 0.00 0.02 0.00 0.00 55.36 54.59 3g5b s GLN 850 Cb -0.14 -2.25 -0.04 0.00 1.00 0.00 0.00 33.01 31.58 3g5b s GLN 850 CO -0.06 0.57 -0.04 -0.51 -2.12 0.00 0.00 175.29 173.14 3g5b s LEU 851 N -1.16 3.31 0.53 2.90 1.43 -1.26 -0.15 118.68 124.27 3g5b s LEU 851 Ca 0.14 -0.23 -0.20 0.00 -1.03 0.00 0.00 54.13 52.81 3g5b s LEU 851 Cb -0.11 -2.04 -0.06 0.00 0.03 0.00 0.00 46.19 44.01 3g5b s LEU 851 CO 0.04 0.19 1.12 -0.83 0.23 0.00 0.00 176.35 177.09 3g5b s GLY 852 N -2.17 2.62 0.00 -3.19 0.00 -0.18 -1.44 107.32 102.95 3g5b s GLY 852 Ca 0.23 0.79 0.25 0.00 0.00 0.00 0.00 44.72 45.99 3g5b s GLY 852 CO 0.16 1.14 1.52 -1.55 0.00 0.00 0.00 173.10 174.38 3g5b n PRO 853 N -1.24 1.98 0.25 2.90 -0.04 -1.26 -4.83 135.00 132.75 3g5b n PRO 853 Ca 0.11 -1.44 0.16 0.00 -0.04 0.00 0.00 63.50 62.29 3g5b n PRO 853 Cb 0.51 -1.46 0.54 0.00 -0.04 0.00 0.00 33.50 33.05 3g5b n PRO 853 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3g5b h TYR 854 N 3.25 0.00 0.00 0.54 0.99 -1.89 -2.65 116.97 117.21 3g5b h TYR 854 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3g5b h TYR 854 Cb 0.70 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.43 3g5b h TYR 854 CO 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.22 3g5b n ALA 855 N -2.07 1.59 -2.59 3.88 0.00 -0.52 -4.80 120.51 115.99 3g5b n ALA 855 Ca 0.02 0.01 -0.31 0.00 0.00 0.00 0.00 53.44 53.16 3g5b n ALA 855 Cb 0.36 -1.27 -0.10 0.00 0.00 0.00 0.00 19.45 18.45 3g5b n ALA 855 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3g5b s PHE 856 N -3.12 2.81 0.03 0.00 0.08 -1.00 -4.97 117.98 111.81 3g5b s PHE 856 Ca 0.05 -0.11 0.10 0.00 0.12 0.00 0.00 56.93 57.09 3g5b s PHE 856 Cb 0.09 -1.50 -0.13 0.00 -0.57 0.00 0.00 43.02 40.90 3g5b s PHE 856 CO 0.28 0.41 1.30 0.87 -0.10 0.00 0.00 175.22 177.97 3g5b h LYS 857 N 3.92 0.00 -4.86 0.44 1.79 -1.87 -3.43 116.57 112.56 3g5b h LYS 857 Ca -0.48 0.00 -0.65 0.00 -2.18 0.00 0.00 60.65 57.33 3g5b h LYS 857 Cb 1.17 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.62 3g5b h LYS 857 CO 0.53 0.82 -0.55 0.42 -1.08 0.00 0.00 179.45 179.60 3g5b s ILE 858 N -2.78 4.88 0.65 1.86 1.01 -1.26 -5.09 121.20 120.47 3g5b s ILE 858 Ca 0.02 -0.10 -0.18 0.00 0.00 0.00 0.00 60.65 60.39 3g5b s ILE 858 Cb 0.09 -3.37 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 3g5b s ILE 858 CO 0.80 0.20 1.29 -2.84 0.00 0.00 0.00 174.94 174.39 3g5b s PRO 859 N 1.68 2.53 0.28 2.79 0.02 -1.26 -4.77 135.00 136.27 3g5b s PRO 859 Ca 0.06 2.04 -0.02 0.00 0.02 0.00 0.00 61.00 63.10 3g5b s PRO 859 Cb -0.16 -1.85 0.43 0.00 0.02 0.00 0.00 34.50 32.95 3g5b s PRO 859 CO 0.08 -1.61 1.91 -0.07 -0.33 0.00 0.00 177.00 176.98 3g5b h LEU 860 N 0.50 1.00 -0.63 -5.54 3.38 -1.98 -1.65 115.31 110.38 3g5b h LEU 860 Ca -0.51 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.51 3g5b h LEU 860 Cb 1.33 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 3g5b h LEU 860 CO 0.53 0.66 0.35 0.77 0.09 0.00 0.00 178.44 180.85 3g5b h SER 861 N 1.15 0.53 -0.05 -0.43 4.64 -1.99 -0.36 113.55 117.04 3g5b h SER 861 Ca 0.39 0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.63 3g5b h SER 861 Cb 0.10 -0.08 0.01 0.00 -0.31 0.00 0.00 62.40 62.11 3g5b h SER 861 CO -0.14 0.35 -0.38 0.40 -0.87 0.00 0.00 176.83 176.20 3g5b h ILE 862 N 0.67 1.44 -0.61 0.95 2.04 -1.76 -2.64 117.51 117.60 3g5b h ILE 862 Ca 0.28 -1.83 0.13 0.00 1.00 0.00 0.00 64.86 64.43 3g5b h ILE 862 Cb 0.15 2.44 -0.11 0.00 -0.74 0.00 0.00 36.82 38.56 3g5b h ILE 862 CO -0.17 0.53 -0.06 -0.09 0.00 0.00 0.00 178.15 178.36 3g5b h ARG 863 N -0.18 0.06 -0.85 2.37 2.43 -1.23 -0.62 114.38 116.36 3g5b h ARG 863 Ca -0.03 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3g5b h ARG 863 Cb 1.05 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.55 3g5b h ARG 863 CO 0.08 0.04 0.49 1.96 -1.51 0.00 0.00 179.97 181.03 3g5b h GLN 864 N 0.07 1.17 -0.40 0.20 4.20 -1.07 -0.57 115.11 118.71 3g5b h GLN 864 Ca 0.31 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 3g5b h GLN 864 Cb 0.49 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 3g5b h GLN 864 CO -0.57 0.84 0.22 -0.22 -0.67 0.00 0.00 178.83 178.44 3g5b h LYS 865 N 1.17 0.56 -0.28 1.46 1.63 -1.02 -1.08 116.57 119.01 3g5b h LYS 865 Ca 0.30 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 60.02 3g5b h LYS 865 Cb -0.01 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.50 3g5b h LYS 865 CO -0.05 0.45 0.09 0.82 -3.45 0.00 0.00 179.45 177.31 3g5b h ILE 866 N 0.52 1.20 -0.45 2.00 2.04 -0.84 -2.30 117.51 119.67 3g5b h ILE 866 Ca 0.14 -0.62 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 3g5b h ILE 866 Cb 0.05 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3g5b h ILE 866 CO -0.02 0.21 0.09 0.00 0.00 0.00 0.00 178.15 178.42 3g5b h ASN 868 N 0.61 0.63 -0.07 0.00 2.35 -1.16 0.88 115.58 118.82 3g5b h ASN 868 Ca 0.14 -0.03 -0.23 0.00 -0.55 0.00 0.00 56.30 55.63 3g5b h ASN 868 Cb 0.36 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 38.58 3g5b h ASN 868 CO 0.01 0.49 -0.85 -1.28 -1.65 0.00 0.00 177.43 174.15 3g5b h SER 869 N 0.73 0.90 0.01 5.81 0.87 -1.00 -3.38 113.55 117.49 3g5b h SER 869 Ca 0.19 -0.62 0.00 0.00 -1.23 0.00 0.00 61.79 60.13 3g5b h SER 869 Cb -0.03 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.66 3g5b h SER 869 CO -0.04 1.42 -1.42 0.18 -0.53 0.00 0.00 176.83 176.45 3g5b n LEU 870 N -3.90 0.58 0.13 2.23 4.77 -0.18 -4.31 117.00 116.31 3g5b n LEU 870 Ca -0.08 -0.28 -0.02 0.00 -0.03 0.00 0.00 56.01 55.60 3g5b n LEU 870 Cb 0.78 -0.00 0.17 0.00 -2.33 0.00 0.00 43.42 42.03 3g5b n LEU 870 CO 0.53 0.14 0.50 0.44 -1.33 0.00 0.00 177.39 177.67 3g5b h ASP 871 N 0.00 0.04 -2.74 -1.43 3.45 -1.00 -2.32 116.42 112.43 3g5b h ASP 871 Ca 0.00 -0.03 -0.53 0.00 0.43 0.00 0.00 57.03 56.90 3g5b h ASP 871 Cb 0.71 -0.01 0.02 0.00 -0.56 0.00 0.00 39.33 39.49 3g5b h ASP 871 CO 0.00 0.65 0.96 0.00 -1.57 0.00 0.00 179.24 179.27 3g5b s ALA 872 N -3.64 3.69 0.26 3.45 0.00 -1.26 -4.93 121.76 119.32 3g5b s ALA 872 Ca -0.02 1.20 -0.31 0.00 0.00 0.00 0.00 51.96 52.83 3g5b s ALA 872 Cb 0.13 -3.67 -0.13 0.00 0.00 0.00 0.00 23.12 19.45 3g5b s ALA 872 CO 0.77 -1.02 1.45 -0.35 0.00 0.00 0.00 175.76 176.61 3g5b n PRO 873 N 5.29 2.23 -4.82 0.00 -0.04 -1.26 -4.81 135.00 131.59 3g5b n PRO 873 Ca 0.15 0.79 -0.33 0.00 -0.04 0.00 0.00 63.50 64.08 3g5b n PRO 873 Cb 0.41 -2.48 -0.14 0.00 -0.04 0.00 0.00 33.50 31.24 3g5b n PRO 873 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3g5b s ASN 874 N 0.30 3.95 0.33 3.54 3.84 -1.26 -5.04 114.94 120.60 3g5b s ASN 874 Ca 0.66 -0.33 0.02 0.00 0.21 0.00 0.00 52.86 53.42 3g5b s ASN 874 Cb -0.60 -1.50 0.57 0.00 -0.55 0.00 0.00 41.25 39.17 3g5b s ASN 874 CO 0.50 0.19 1.94 0.28 -2.79 0.00 0.00 177.10 177.22 3g5b h SER 875 N 6.53 0.70 -0.51 -4.21 0.02 -1.94 -2.38 113.55 111.76 3g5b h SER 875 Ca -0.28 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 3g5b h SER 875 Cb 1.21 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.57 3g5b h SER 875 CO 0.54 0.59 0.00 0.54 -1.14 0.00 0.00 176.83 177.37 3g5b n ARG 876 N -4.37 3.48 -0.51 3.45 3.00 -1.26 -4.91 116.66 115.54 3g5b n ARG 876 Ca 0.05 -2.38 0.00 0.00 -0.01 0.00 0.00 57.85 55.51 3g5b n ARG 876 Cb 0.12 -1.87 0.00 0.00 0.00 0.00 0.00 32.46 30.71 3g5b n ARG 876 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3g5b n GLY 877 N 0.85 0.98 2.59 -0.13 0.00 -0.90 -4.98 105.19 103.61 3g5b n GLY 877 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 3g5b n GLY 877 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3g5b n ASN 878 N 0.00 6.63 0.00 1.61 2.85 -1.26 -3.72 115.26 121.37 3g5b n ASN 878 Ca 0.00 -2.93 0.00 0.00 -0.11 0.00 0.00 54.58 51.54 3g5b n ASN 878 Cb 0.00 -1.50 0.00 0.00 1.24 0.00 0.00 39.78 39.52 3g5b n ASN 878 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 3g5b n ASP 879 N 3.62 0.01 0.14 1.20 3.85 -1.26 -4.76 116.55 119.35 3g5b n ASP 879 Ca 0.59 0.00 0.17 0.00 -0.71 0.00 0.00 54.79 54.84 3g5b n ASP 879 Cb 0.30 0.00 0.75 0.00 -1.35 0.00 0.00 41.12 40.82 3g5b n ASP 879 CO 0.00 0.00 0.00 4.11 -1.01 0.00 0.00 177.20 180.30 3g5b h TRP 880 N 0.00 0.00 -0.57 2.11 5.08 -1.73 -1.68 115.95 119.16 3g5b h TRP 880 Ca 0.00 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.95 3g5b h TRP 880 Cb 0.00 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.13 3g5b h TRP 880 CO 0.00 0.00 0.29 0.00 -1.28 0.00 0.00 178.44 177.45 3g5b h ARG 881 N 0.00 0.81 -0.19 0.12 3.08 -1.88 0.00 114.38 116.32 3g5b h ARG 881 Ca 0.14 -0.11 -0.16 0.00 0.07 0.00 0.00 59.98 59.92 3g5b h ARG 881 Cb 0.65 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3g5b h ARG 881 CO -0.00 0.65 -0.55 1.25 -1.07 0.00 0.00 179.97 180.24 3g5b h LEU 882 N 0.77 0.65 -0.27 3.04 5.85 -1.40 -1.43 115.31 122.53 3g5b h LEU 882 Ca 0.20 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3g5b h LEU 882 Cb 0.09 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3g5b h LEU 882 CO -0.03 1.07 0.17 0.25 -0.34 0.00 0.00 178.44 179.57 3g5b h LEU 883 N 0.45 0.31 -0.51 2.25 5.85 -1.29 0.05 115.31 122.42 3g5b h LEU 883 Ca 0.01 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3g5b h LEU 883 Cb 1.10 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 3g5b h LEU 883 CO 0.11 0.23 0.27 0.00 -0.34 0.00 0.00 178.44 178.71 3g5b h ALA 884 N 1.09 0.65 -0.23 1.25 0.00 -0.94 -0.29 119.26 120.80 3g5b h ALA 884 Ca 0.10 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3g5b h ALA 884 Cb -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3g5b h ALA 884 CO -0.02 -0.06 0.12 0.37 0.00 0.00 0.00 179.25 179.65 3g5b h GLN 885 N 0.53 0.24 -0.94 0.00 4.15 -1.03 0.15 115.11 118.20 3g5b h GLN 885 Ca 0.22 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.67 3g5b h GLN 885 Cb 0.11 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.69 3g5b h GLN 885 CO -0.14 0.16 0.62 0.87 -1.93 0.00 0.00 178.83 178.41 3g5b h LYS 886 N 0.25 1.14 -0.19 1.69 1.79 -0.51 -1.92 116.57 118.82 3g5b h LYS 886 Ca 0.09 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 3g5b h LYS 886 Cb 0.01 -0.26 0.00 0.00 -1.58 0.00 0.00 32.23 30.41 3g5b h LYS 886 CO -0.06 0.75 0.00 1.28 -1.08 0.00 0.00 179.45 180.35 3g5b n LEU 887 N -4.45 1.32 -3.70 2.94 4.77 -0.16 -4.91 117.00 112.81 3g5b n LEU 887 Ca 0.13 -0.61 -0.24 0.00 -0.03 0.00 0.00 56.01 55.26 3g5b n LEU 887 Cb 0.11 -0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.13 3g5b n LEU 887 CO 0.34 0.30 0.12 -1.20 -1.33 0.00 0.00 177.39 175.63 3g5b n SER 888 N 0.15 -4.19 -0.61 -1.43 7.64 -0.72 -4.91 113.62 109.54 3g5b n SER 888 Ca 0.12 -0.69 0.05 0.00 1.01 0.00 0.00 58.87 59.37 3g5b n SER 888 Cb 0.24 -4.49 0.19 0.00 -1.01 0.00 0.00 64.21 59.15 3g5b n SER 888 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 3g5b n MET 889 N -4.63 1.74 -0.71 1.43 2.00 0.45 -4.81 117.12 112.59 3g5b n MET 889 Ca -0.09 -2.99 0.00 0.00 0.00 0.00 0.00 57.70 54.62 3g5b n MET 889 Cb 0.59 -1.66 0.25 0.00 0.00 0.00 0.00 33.22 32.40 3g5b n MET 889 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 3g5b n ASP 890 N -1.13 3.65 0.03 7.83 5.75 -1.24 -4.62 116.55 126.82 3g5b n ASP 890 Ca 0.22 -3.32 0.01 0.00 -0.01 0.00 0.00 54.79 51.69 3g5b n ASP 890 Cb 0.78 -0.63 0.34 0.00 -1.03 0.00 0.00 41.12 40.59 3g5b n ASP 890 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 3g5b h ARG 891 N 1.70 0.45 -1.87 0.11 2.43 -1.94 -3.37 114.38 111.89 3g5b h ARG 891 Ca 0.15 -0.09 -0.36 0.00 -0.81 0.00 0.00 59.98 58.88 3g5b h ARG 891 Cb 1.76 -0.07 -0.30 0.00 -0.42 0.00 0.00 29.97 30.94 3g5b h ARG 891 CO 0.42 0.48 -0.69 -0.47 -1.51 0.00 0.00 179.97 178.20 3g5b s TYR 892 N -4.98 -0.34 0.39 2.20 5.04 -1.26 -5.02 117.35 113.38 3g5b s TYR 892 Ca -0.07 -0.88 0.12 0.00 -2.44 0.00 0.00 57.07 53.81 3g5b s TYR 892 Cb 0.16 -0.37 0.79 0.00 0.35 0.00 0.00 41.96 42.89 3g5b s TYR 892 CO 0.75 -0.99 1.88 -0.07 -1.34 0.00 0.00 175.55 175.78 3g5b h LEU 893 N 6.82 0.04 -2.72 6.97 3.38 -1.88 -3.05 115.31 124.86 3g5b h LEU 893 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3g5b h LEU 893 Cb 1.05 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 3g5b h LEU 893 CO 0.19 0.33 0.03 0.78 0.09 0.00 0.00 178.44 179.86 3g5b h ASN 894 N 0.04 0.00 -0.62 -0.43 -0.26 -1.96 -0.80 115.58 111.54 3g5b h ASN 894 Ca 0.00 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.68 3g5b h ASN 894 Cb 0.54 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.77 3g5b h ASN 894 CO 0.04 0.00 0.17 0.22 -1.06 0.00 0.00 177.43 176.79 3g5b h TYR 895 N 0.00 1.06 -0.27 1.19 5.03 -1.87 -2.99 116.97 119.11 3g5b h TYR 895 Ca 0.01 -0.11 -0.18 0.00 2.58 0.00 0.00 58.73 61.02 3g5b h TYR 895 Cb 0.06 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.04 3g5b h TYR 895 CO 0.00 0.86 -0.54 0.74 -1.32 0.00 0.00 178.16 177.90 3g5b h PHE 896 N 0.97 1.06 -0.84 -3.82 0.04 -1.37 -3.32 116.94 109.66 3g5b h PHE 896 Ca 0.21 -0.39 0.16 0.00 2.80 0.00 0.00 57.97 60.75 3g5b h PHE 896 Cb 0.33 -0.20 -0.06 0.00 2.20 0.00 0.00 35.95 38.22 3g5b h PHE 896 CO 0.02 1.21 0.55 0.00 -0.60 0.00 0.00 178.31 179.49 3g5b h ALA 897 N 0.66 2.04 -0.00 2.45 0.00 -1.28 -1.35 119.26 121.78 3g5b h ALA 897 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3g5b h ALA 897 Cb 1.15 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3g5b h ALA 897 CO 0.12 -0.28 -0.05 0.25 0.00 0.00 0.00 179.25 179.28 3g5b n THR 898 N -4.52 0.00 -2.89 0.00 -2.24 -1.15 -4.83 114.28 98.65 3g5b n THR 898 Ca 0.17 -0.01 -0.33 0.00 -2.27 0.00 0.00 64.05 61.60 3g5b n THR 898 Cb 0.55 -0.37 -0.07 0.00 -2.10 0.00 0.00 70.33 68.35 3g5b n THR 898 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3g5b s LYS 899 N -2.69 4.19 0.39 -0.78 -0.14 -0.51 -4.97 119.74 115.24 3g5b s LYS 899 Ca 0.24 1.03 0.08 0.00 -1.36 0.00 0.00 55.97 55.96 3g5b s LYS 899 Cb 0.20 -2.26 0.79 0.00 -1.68 0.00 0.00 37.83 34.88 3g5b s LYS 899 CO 0.50 0.02 1.96 0.00 -0.76 0.00 0.00 175.35 177.07 3g5b h ALA 900 N 2.04 1.56 -3.26 5.17 0.00 -1.88 -3.29 119.26 119.59 3g5b h ALA 900 Ca -0.49 -0.15 -0.62 0.00 0.00 0.00 0.00 54.91 53.66 3g5b h ALA 900 Cb 1.18 -0.11 -0.40 0.00 0.00 0.00 0.00 17.79 18.45 3g5b h ALA 900 CO 0.62 0.33 -0.72 0.45 0.00 0.00 0.00 179.25 179.93 3g5b s SER 901 N -6.81 4.11 0.37 0.00 0.15 -1.26 -4.99 113.70 105.28 3g5b s SER 901 Ca -0.07 -2.39 0.08 0.00 0.70 0.00 0.00 55.95 54.28 3g5b s SER 901 Cb 0.16 -1.25 0.81 0.00 -1.71 0.00 0.00 66.02 64.03 3g5b s SER 901 CO 0.74 -0.32 1.95 -0.65 1.20 0.00 0.00 173.24 176.16 3g5b h PRO 902 N 7.17 0.66 -0.42 5.44 0.11 -1.71 -2.32 132.00 140.94 3g5b h PRO 902 Ca -0.06 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.94 3g5b h PRO 902 Cb 0.96 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 3g5b h PRO 902 CO 0.53 0.44 -0.01 1.15 -0.21 0.00 0.00 178.00 179.90 3g5b h THR 903 N 0.68 1.26 -0.99 -1.15 2.02 -1.89 -2.55 112.91 110.28 3g5b h THR 903 Ca 0.33 -1.04 0.15 0.00 0.77 0.00 0.00 66.41 66.62 3g5b h THR 903 Cb 0.39 1.10 -0.09 0.00 -1.74 0.00 0.00 68.15 67.80 3g5b h THR 903 CO -0.11 0.35 0.61 1.23 0.37 0.00 0.00 175.52 177.97 3g5b h GLY 904 N 0.59 1.68 1.59 2.16 0.00 -1.79 0.10 103.07 107.39 3g5b h GLY 904 Ca 0.12 -0.39 -0.19 0.00 0.00 0.00 0.00 47.33 46.87 3g5b h GLY 904 CO 0.02 0.06 -0.79 -2.08 0.00 0.00 0.00 176.54 173.76 3g5b h VAL 905 N 0.88 1.39 -0.44 4.60 2.07 -1.41 -1.96 116.25 121.39 3g5b h VAL 905 Ca 0.53 -2.24 -0.02 0.00 0.82 0.00 0.00 66.70 65.78 3g5b h VAL 905 Cb 0.66 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 3g5b h VAL 905 CO -0.32 0.67 0.18 0.40 0.02 0.00 0.00 177.57 178.53 3g5b h ILE 906 N 0.26 1.20 -0.31 4.57 2.04 -0.95 -2.32 117.51 121.98 3g5b h ILE 906 Ca -0.04 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.18 3g5b h ILE 906 Cb 1.38 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 3g5b h ILE 906 CO 0.13 0.22 -0.00 -0.07 0.00 0.00 0.00 178.15 178.43 3g5b h LEU 907 N 0.56 0.45 -0.67 1.44 3.38 -0.93 -0.40 115.31 119.13 3g5b h LEU 907 Ca 0.15 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3g5b h LEU 907 Cb 0.17 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3g5b h LEU 907 CO -0.01 0.52 0.34 0.44 0.09 0.00 0.00 178.44 179.81 3g5b h ASP 908 N 0.46 0.86 -0.36 -0.43 3.32 -1.15 1.00 116.42 120.12 3g5b h ASP 908 Ca 0.10 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 3g5b h ASP 908 Cb 0.31 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3g5b h ASP 908 CO 0.01 0.74 0.17 0.25 -1.72 0.00 0.00 179.24 178.69 3g5b h LEU 909 N 0.92 0.48 -0.38 1.55 5.85 -0.90 -1.43 115.31 121.41 3g5b h LEU 909 Ca 0.23 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.84 3g5b h LEU 909 Cb 0.09 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3g5b h LEU 909 CO -0.03 0.48 0.19 -0.25 -0.34 0.00 0.00 178.44 178.49 3g5b h TRP 910 N 0.45 0.35 -0.61 1.25 7.01 -0.82 -1.58 115.95 121.99 3g5b h TRP 910 Ca 0.12 0.02 0.11 0.00 2.11 0.00 0.00 58.89 61.25 3g5b h TRP 910 Cb 0.14 -0.10 -0.08 0.00 -2.10 0.00 0.00 29.16 27.01 3g5b h TRP 910 CO -0.01 0.18 0.16 0.93 -2.79 0.00 0.00 178.44 176.91 3g5b h GLU 911 N 0.38 0.30 -0.55 2.65 4.39 -0.58 -1.32 114.58 119.85 3g5b h GLU 911 Ca 0.16 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 3g5b h GLU 911 Cb 0.07 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 3g5b h GLU 911 CO -0.11 0.20 0.33 0.00 -1.16 0.00 0.00 179.01 178.26 3g5b h ALA 912 N 1.47 1.55 -0.23 3.43 0.00 -0.74 -2.32 119.26 122.41 3g5b h ALA 912 Ca 0.32 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 3g5b h ALA 912 Cb 0.46 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3g5b h ALA 912 CO -0.38 0.39 -0.22 0.00 0.00 0.00 0.00 179.25 179.04 3g5b h ARG 913 N 0.75 0.42 0.00 0.00 3.08 -0.28 -3.17 114.38 115.18 3g5b h ARG 913 Ca 0.20 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3g5b h ARG 913 Cb -0.02 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3g5b h ARG 913 CO -0.04 0.62 0.00 1.96 -1.07 0.00 0.00 179.97 181.45 3g5b h GLN 914 N 0.38 0.00 0.00 0.04 1.08 -0.83 -0.65 115.11 115.14 3g5b h GLN 914 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3g5b h GLN 914 Cb 0.60 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 3g5b h GLN 914 CO 0.04 0.00 0.00 1.96 -0.95 0.00 0.00 178.83 179.88 3g5b h GLN 915 N 0.00 0.00 0.00 1.46 7.50 -1.53 -3.42 115.11 119.12 3g5b h GLN 915 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3g5b h GLN 915 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.08 3g5b h GLN 915 CO 0.00 0.00 0.00 -0.40 -1.50 0.00 0.00 178.83 176.93 3g5b n ASP 916 N -2.47 0.00 -0.03 1.46 5.75 -0.26 -5.06 116.55 115.94 3g5b n ASP 916 Ca 0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.76 3g5b n ASP 916 Cb 0.19 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.22 3g5b n ASP 916 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3g5b n ASP 917 N 0.00 3.12 -3.15 -1.12 5.75 -1.16 -5.08 116.55 114.91 3g5b n ASP 917 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3g5b n ASP 917 Cb 0.00 0.79 0.00 0.00 -1.03 0.00 0.00 41.12 40.88 3g5b n ASP 917 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3g5b n GLY 918 N 2.46 -2.43 3.28 6.12 0.00 -1.26 -5.07 105.19 108.28 3g5b n GLY 918 Ca -0.11 -1.39 -0.12 0.00 0.00 0.00 0.00 46.02 44.40 3g5b n GLY 918 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3g5b s ASP 919 N -1.57 -0.17 0.66 1.61 -4.77 -1.26 -4.97 116.67 106.20 3g5b s ASP 919 Ca 0.00 -0.15 0.32 0.00 -3.30 0.00 0.00 52.55 49.42 3g5b s ASP 919 Cb 0.00 0.39 1.75 0.00 -1.09 0.00 0.00 42.92 43.96 3g5b s ASP 919 CO 0.00 -0.65 1.99 -0.07 0.70 0.00 0.00 175.17 177.14 3g5b h LEU 920 N 3.08 0.00 -0.74 2.11 3.38 -1.97 -0.91 115.31 120.27 3g5b h LEU 920 Ca -0.32 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 3g5b h LEU 920 Cb 1.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 3g5b h LEU 920 CO 0.45 0.00 -0.00 0.78 0.09 0.00 0.00 178.44 179.76 3g5b h ASN 921 N 0.00 0.00 -0.37 -0.43 2.35 -1.92 -2.87 115.58 112.34 3g5b h ASN 921 Ca 0.01 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 3g5b h ASN 921 Cb 0.59 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 3g5b h ASN 921 CO -0.00 0.00 0.05 0.77 -1.65 0.00 0.00 177.43 176.61 3g5b h SER 922 N 0.00 0.66 0.01 5.81 4.64 -1.54 0.16 113.55 123.29 3g5b h SER 922 Ca -0.00 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3g5b h SER 922 Cb 0.76 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3g5b h SER 922 CO 0.00 0.70 -0.00 0.25 -0.87 0.00 0.00 176.83 176.91 3g5b h LEU 923 N 0.68 -0.01 -1.00 5.97 5.85 -1.67 -2.72 115.31 122.41 3g5b h LEU 923 Ca 0.14 -0.61 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 3g5b h LEU 923 Cb 0.34 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3g5b h LEU 923 CO 0.01 0.61 0.45 0.00 -0.34 0.00 0.00 178.44 179.17 3g5b h ALA 924 N 0.36 1.23 -0.46 1.25 0.00 -1.50 -1.71 119.26 118.44 3g5b h ALA 924 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3g5b h ALA 924 Cb 0.62 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3g5b h ALA 924 CO 0.00 0.62 0.30 0.77 0.00 0.00 0.00 179.25 180.94 3g5b h SER 925 N 1.16 0.52 -0.20 0.00 0.02 -0.75 0.40 113.55 114.70 3g5b h SER 925 Ca 0.29 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 3g5b h SER 925 Cb 0.03 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3g5b h SER 925 CO -0.05 0.38 0.13 0.00 -1.14 0.00 0.00 176.83 176.15 3g5b h ALA 926 N 1.17 0.26 -0.53 3.77 0.00 -1.26 -0.94 119.26 121.71 3g5b h ALA 926 Ca 0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3g5b h ALA 926 Cb -0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3g5b h ALA 926 CO -0.04 -0.26 0.15 -0.07 0.00 0.00 0.00 179.25 179.04 3g5b h LEU 927 N 0.27 0.74 -0.25 0.00 3.38 -1.05 -1.99 115.31 116.41 3g5b h LEU 927 Ca 0.07 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3g5b h LEU 927 Cb -0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3g5b h LEU 927 CO -0.02 0.72 0.09 -0.08 0.09 0.00 0.00 178.44 179.25 3g5b h GLU 928 N 0.78 0.38 0.00 1.13 4.57 -0.64 -2.73 114.58 118.08 3g5b h GLU 928 Ca 0.18 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 3g5b h GLU 928 Cb 0.26 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 3g5b h GLU 928 CO -0.01 0.43 -0.12 0.93 -1.18 0.00 0.00 179.01 179.07 3g5b h GLU 929 N 0.25 0.00 0.00 1.92 5.08 -0.84 -2.30 114.58 118.68 3g5b h GLU 929 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3g5b h GLU 929 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3g5b h GLU 929 CO -0.01 0.12 0.00 -1.33 -1.00 0.00 0.00 179.01 176.79 3g5b n MET 930 N -3.68 0.03 -1.56 2.33 2.81 -0.78 -4.91 117.12 111.37 3g5b n MET 930 Ca -0.02 0.03 -0.05 0.00 -1.81 0.00 0.00 57.70 55.85 3g5b n MET 930 Cb 0.23 -1.53 -0.01 0.00 -0.71 0.00 0.00 33.22 31.20 3g5b n MET 930 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g5b n GLY 931 N 1.44 0.50 3.86 3.03 0.00 -0.87 -5.03 105.19 108.12 3g5b n GLY 931 Ca 0.07 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 3g5b n GLY 931 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g5b s LYS 932 N -3.21 2.94 -0.09 1.61 -0.14 -1.05 -4.95 119.74 114.84 3g5b s LYS 932 Ca 0.00 0.60 -0.33 0.00 -1.36 0.00 0.00 55.97 54.88 3g5b s LYS 932 Cb 0.00 -2.02 -0.16 0.00 -1.68 0.00 0.00 37.83 33.97 3g5b s LYS 932 CO 0.00 -1.01 0.95 0.45 -0.76 0.00 0.00 175.35 174.98 3g5b n SER 933 N -3.02 0.22 0.29 2.83 2.88 -1.26 -4.83 113.62 110.73 3g5b n SER 933 Ca 0.07 0.93 0.16 0.00 -1.33 0.00 0.00 58.87 58.69 3g5b n SER 933 Cb 0.56 -0.72 0.87 0.00 -0.75 0.00 0.00 64.21 64.17 3g5b n SER 933 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3g5b h GLU 934 N 2.76 0.00 -0.46 -1.46 4.39 -1.96 -1.08 114.58 116.76 3g5b h GLU 934 Ca -0.39 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.23 3g5b h GLU 934 Cb 1.12 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.75 3g5b h GLU 934 CO 0.58 0.05 -0.04 0.52 -1.16 0.00 0.00 179.01 178.97 3g5b h MET 935 N 0.00 0.78 -0.45 2.33 2.86 -1.98 0.37 114.93 118.84 3g5b h MET 935 Ca -0.00 -0.23 -0.12 0.00 -2.06 0.00 0.00 59.70 57.29 3g5b h MET 935 Cb 0.18 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3g5b h MET 935 CO 0.01 0.82 -0.21 -0.07 1.06 0.00 0.00 176.91 178.51 3g5b h LEU 936 N 0.73 0.92 -0.14 1.22 3.38 -1.56 -1.45 115.31 118.41 3g5b h LEU 936 Ca 0.14 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3g5b h LEU 936 Cb 0.49 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3g5b h LEU 936 CO 0.03 1.10 -0.00 0.58 0.09 0.00 0.00 178.44 180.23 3g5b h VAL 937 N 0.78 1.25 -0.63 1.22 2.07 -1.14 -2.28 116.25 117.52 3g5b h VAL 937 Ca 0.10 -0.83 0.13 0.00 0.82 0.00 0.00 66.70 66.93 3g5b h VAL 937 Cb 0.76 1.53 -0.10 0.00 -1.52 0.00 0.00 31.29 31.97 3g5b h VAL 937 CO 0.06 0.24 0.10 0.00 0.02 0.00 0.00 177.57 178.00 3g5b h ALA 938 N 0.76 0.73 0.00 1.67 0.00 -0.21 -0.78 119.26 121.43 3g5b h ALA 938 Ca 0.04 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3g5b h ALA 938 Cb 0.37 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3g5b h ALA 938 CO 0.01 -0.34 -0.17 0.52 0.00 0.00 0.00 179.25 179.27 3g5b h MET 939 N 0.22 0.00 0.00 0.00 2.07 -1.07 -3.25 114.93 112.90 3g5b h MET 939 Ca 0.34 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.97 3g5b h MET 939 Cb 0.54 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.27 3g5b h MET 939 CO -0.46 0.17 -0.74 0.25 1.07 0.00 0.00 176.91 177.20 3g5b n THR 940 N -3.68 0.00 -1.97 2.22 -2.24 -0.76 -5.01 114.28 102.84 3g5b n THR 940 Ca -0.02 -0.17 -0.35 0.00 -2.27 0.00 0.00 64.05 61.25 3g5b n THR 940 Cb 0.29 0.95 0.03 0.00 -2.10 0.00 0.00 70.33 69.50 3g5b n THR 940 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3g5b s THR 941 N -2.40 2.94 0.00 4.28 2.01 -0.37 -4.33 115.64 117.77 3g5b s THR 941 Ca 0.05 0.53 0.00 0.00 0.31 0.00 0.00 61.69 62.58 3g5b s THR 941 Cb 0.11 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.48 3g5b s THR 941 CO 0.59 -0.18 0.07 0.47 -0.69 0.00 0.00 174.62 174.89