#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hr0 h ASP 538 N 0.00 1.12 0.15 8.00 3.58 -2.01 -1.24 116.42 126.02 3hr0 h ASP 538 Ca 0.00 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.34 3hr0 h ASP 538 Cb 0.00 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 40.75 3hr0 h ASP 538 CO 0.00 0.91 -0.13 -0.08 -2.88 0.00 0.00 179.24 177.06 3hr0 h GLU 539 N 1.25 -0.28 -0.55 0.28 4.57 -2.05 -1.21 114.58 116.59 3hr0 h GLU 539 Ca 0.31 0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.48 3hr0 h GLU 539 Cb 0.05 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 3hr0 h GLU 539 CO -0.05 -0.19 0.22 0.00 -1.18 0.00 0.00 179.01 177.81 3hr0 h ALA 540 N 0.54 1.35 0.04 2.92 0.00 -1.94 0.59 119.26 122.76 3hr0 h ALA 540 Ca -0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3hr0 h ALA 540 Cb 0.27 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hr0 h ALA 540 CO -0.02 0.49 -0.02 -0.22 0.00 0.00 0.00 179.25 179.48 3hr0 h LYS 541 N 0.78 -0.05 -0.24 0.00 3.64 -1.06 -1.91 116.57 117.75 3hr0 h LYS 541 Ca 0.19 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.44 3hr0 h LYS 541 Cb 0.16 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3hr0 h LYS 541 CO -0.02 0.14 -0.41 0.52 -2.27 0.00 0.00 179.45 177.41 3hr0 h MET 542 N -0.23 0.56 -0.21 1.90 2.86 -0.90 -2.31 114.93 116.60 3hr0 h MET 542 Ca -0.01 -0.29 0.02 0.00 -2.06 0.00 0.00 59.70 57.36 3hr0 h MET 542 Cb 0.21 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3hr0 h MET 542 CO 0.01 0.87 0.09 1.03 1.06 0.00 0.00 176.91 179.98 3hr0 h SER 543 N 0.46 0.13 -0.46 1.22 0.87 -0.86 -0.25 113.55 114.66 3hr0 h SER 543 Ca 0.04 0.01 0.09 0.00 -1.23 0.00 0.00 61.79 60.70 3hr0 h SER 543 Cb 0.91 -0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 62.78 3hr0 h SER 543 CO 0.08 0.11 -0.07 0.15 -0.53 0.00 0.00 176.83 176.57 3hr0 h PHE 544 N 0.21 -0.16 -0.32 2.24 3.57 -1.14 -0.41 116.94 120.93 3hr0 h PHE 544 Ca 0.09 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 3hr0 h PHE 544 Cb 0.03 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 3hr0 h PHE 544 CO -0.10 -0.16 0.04 -0.07 -2.23 0.00 0.00 178.31 175.79 3hr0 h LEU 545 N 0.04 0.52 -1.16 0.59 3.38 -1.06 -1.13 115.31 116.50 3hr0 h LEU 545 Ca 0.23 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3hr0 h LEU 545 Cb 0.35 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3hr0 h LEU 545 CO -0.44 0.66 0.14 0.58 0.09 0.00 0.00 178.44 179.47 3hr0 h VAL 546 N 0.36 1.20 -0.04 1.22 2.07 -0.85 0.29 116.25 120.49 3hr0 h VAL 546 Ca 0.09 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 3hr0 h VAL 546 Cb 0.37 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3hr0 h VAL 546 CO 0.01 0.26 0.00 0.74 0.02 0.00 0.00 177.57 178.61 3hr0 h THR 547 N 0.72 1.22 -0.93 2.57 2.02 -0.82 -1.55 112.91 116.14 3hr0 h THR 547 Ca 0.16 -0.67 0.10 0.00 0.77 0.00 0.00 66.41 66.78 3hr0 h THR 547 Cb 0.23 1.60 -0.07 0.00 -1.74 0.00 0.00 68.15 68.17 3hr0 h THR 547 CO -0.01 0.18 0.60 -0.07 0.37 0.00 0.00 175.52 176.59 3hr0 h LEU 548 N -0.20 0.87 -1.02 2.58 3.38 -0.96 -0.77 115.31 119.18 3hr0 h LEU 548 Ca 0.01 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3hr0 h LEU 548 Cb 0.28 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3hr0 h LEU 548 CO 0.00 0.51 0.25 -1.13 0.09 0.00 0.00 178.44 178.15 3hr0 h ASN 549 N 0.96 0.87 0.14 -0.43 -1.24 -0.74 -1.09 115.58 114.05 3hr0 h ASN 549 Ca 0.43 -0.12 -0.13 0.00 0.71 0.00 0.00 56.30 57.19 3hr0 h ASN 549 Cb 0.39 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.20 3hr0 h ASN 549 CO -0.19 0.79 -0.45 -1.13 -1.29 0.00 0.00 177.43 175.16 3hr0 h ASN 550 N 0.93 0.40 -0.89 1.15 -1.24 -0.20 -2.25 115.58 113.47 3hr0 h ASN 550 Ca 0.22 -0.18 0.05 0.00 0.71 0.00 0.00 56.30 57.09 3hr0 h ASN 550 Cb 0.20 -0.11 -0.06 0.00 0.73 0.00 0.00 38.32 39.08 3hr0 h ASN 550 CO -0.02 0.79 0.57 0.58 -1.29 0.00 0.00 177.43 178.07 3hr0 h VAL 551 N 0.30 1.11 -0.68 2.57 2.07 -0.43 -1.60 116.25 119.59 3hr0 h VAL 551 Ca 0.02 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 3hr0 h VAL 551 Cb 0.91 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3hr0 h VAL 551 CO 0.08 0.20 0.27 -0.08 0.02 0.00 0.00 177.57 178.06 3hr0 h GLU 552 N 1.08 1.02 -0.67 1.57 4.57 -0.99 0.35 114.58 121.51 3hr0 h GLU 552 Ca 0.37 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 3hr0 h GLU 552 Cb 0.07 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 3hr0 h GLU 552 CO -0.14 0.84 0.43 0.28 -1.18 0.00 0.00 179.01 179.24 3hr0 h VAL 553 N 0.96 1.18 -0.49 0.32 2.07 -1.03 -0.58 116.25 118.69 3hr0 h VAL 553 Ca 0.23 -0.36 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 3hr0 h VAL 553 Cb 0.21 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 3hr0 h VAL 553 CO -0.02 0.18 -0.10 0.00 0.02 0.00 0.00 177.57 177.65 3hr0 h SER 555 N 0.82 0.89 -0.82 0.00 0.87 -0.59 -0.78 113.55 113.93 3hr0 h SER 555 Ca 0.13 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 3hr0 h SER 555 Cb 0.63 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.32 3hr0 h SER 555 CO 0.04 0.92 0.45 -0.33 -0.53 0.00 0.00 176.83 177.39 3hr0 h GLU 556 N 0.82 1.14 -0.77 2.24 5.08 -0.96 -1.96 114.58 120.18 3hr0 h GLU 556 Ca 0.17 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3hr0 h GLU 556 Cb 0.40 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 3hr0 h GLU 556 CO 0.01 0.83 0.37 -0.97 -1.00 0.00 0.00 179.01 178.26 3hr0 h ASN 557 N 1.14 1.00 -0.69 1.42 -0.00 -0.93 -1.20 115.58 116.30 3hr0 h ASN 557 Ca 0.29 -0.11 -0.03 0.00 -0.00 0.00 0.00 56.30 56.45 3hr0 h ASN 557 Cb 0.02 -0.25 -0.03 0.00 -0.00 0.00 0.00 38.32 38.06 3hr0 h ASN 557 CO -0.05 0.84 0.32 0.40 -0.00 0.00 0.00 177.43 178.94 3hr0 h ILE 558 N 1.09 1.23 -0.80 2.57 2.04 -0.83 -1.21 117.51 121.60 3hr0 h ILE 558 Ca 0.27 -0.67 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 3hr0 h ILE 558 Cb 0.10 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 3hr0 h ILE 558 CO -0.03 0.28 0.32 0.28 0.00 0.00 0.00 178.15 178.99 3hr0 h SER 559 N 0.97 1.11 -0.08 1.72 0.02 -0.94 -0.00 113.55 116.34 3hr0 h SER 559 Ca 0.24 -0.17 -0.11 0.00 -0.84 0.00 0.00 61.79 60.90 3hr0 h SER 559 Cb 0.14 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 3hr0 h SER 559 CO -0.03 0.98 -0.31 0.00 -1.14 0.00 0.00 176.83 176.33 3hr0 h THR 560 N 1.16 1.28 -0.45 -2.27 1.03 -1.02 -2.44 112.91 110.20 3hr0 h THR 560 Ca 0.27 -1.41 -0.14 0.00 -0.01 0.00 0.00 66.41 65.12 3hr0 h THR 560 Cb 0.22 1.42 -0.01 0.00 -1.07 0.00 0.00 68.15 68.71 3hr0 h THR 560 CO -0.02 0.45 -0.27 -0.07 -0.01 0.00 0.00 175.52 175.60 3hr0 h LEU 561 N 0.47 1.01 -0.87 0.00 3.38 -0.86 -2.34 115.31 116.11 3hr0 h LEU 561 Ca 0.06 -0.42 0.09 0.00 0.09 0.00 0.00 57.88 57.70 3hr0 h LEU 561 Cb 0.78 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 3hr0 h LEU 561 CO 0.06 1.21 0.52 0.50 0.09 0.00 0.00 178.44 180.83 3hr0 h LYS 562 N 0.82 0.86 -0.54 1.13 3.64 -0.78 0.13 116.57 121.82 3hr0 h LYS 562 Ca 0.09 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.31 3hr0 h LYS 562 Cb 0.86 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 3hr0 h LYS 562 CO 0.08 0.57 -0.09 0.87 -2.27 0.00 0.00 179.45 178.60 3hr0 h LYS 563 N 0.88 1.01 -0.45 1.90 1.57 -1.23 0.11 116.57 120.37 3hr0 h LYS 563 Ca 0.41 -0.36 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3hr0 h LYS 563 Cb 0.33 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 3hr0 h LYS 563 CO -0.23 1.05 0.18 1.15 -0.57 0.00 0.00 179.45 181.02 3hr0 h THR 564 N 0.90 1.20 -0.50 -0.16 2.02 -0.85 -2.65 112.91 112.88 3hr0 h THR 564 Ca 0.14 -0.63 -0.06 0.00 0.77 0.00 0.00 66.41 66.63 3hr0 h THR 564 Cb 0.65 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 3hr0 h THR 564 CO 0.05 0.23 0.06 -0.07 0.37 0.00 0.00 175.52 176.16 3hr0 h LEU 565 N 0.58 0.75 -0.86 2.58 3.38 -0.41 -0.46 115.31 120.87 3hr0 h LEU 565 Ca 0.15 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3hr0 h LEU 565 Cb 0.19 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3hr0 h LEU 565 CO -0.01 0.78 0.46 -0.33 0.09 0.00 0.00 178.44 179.43 3hr0 h GLU 566 N 0.76 1.21 -0.23 1.13 5.08 -0.65 0.88 114.58 122.75 3hr0 h GLU 566 Ca 0.16 -0.15 -0.17 0.00 -1.00 0.00 0.00 59.36 58.20 3hr0 h GLU 566 Cb 0.37 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3hr0 h GLU 566 CO 0.01 0.89 -0.55 1.03 -1.00 0.00 0.00 179.01 179.39 3hr0 h SER 567 N 1.21 0.78 -0.62 1.42 0.87 -1.11 -2.67 113.55 113.42 3hr0 h SER 567 Ca 0.30 -0.42 0.03 0.00 -1.23 0.00 0.00 61.79 60.48 3hr0 h SER 567 Cb 0.05 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 61.74 3hr0 h SER 567 CO -0.05 1.17 0.38 0.44 -0.53 0.00 0.00 176.83 178.24 3hr0 h ASP 568 N 0.54 0.62 -0.09 6.23 3.32 -0.76 -1.45 116.42 124.83 3hr0 h ASP 568 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3hr0 h ASP 568 Cb 1.12 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.54 3hr0 h ASP 568 CO 0.11 0.43 0.05 0.00 -1.72 0.00 0.00 179.24 178.11 3hr0 h THR 570 N 0.09 0.99 -0.53 0.00 2.02 -1.37 -2.87 112.91 111.24 3hr0 h THR 570 Ca 0.03 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 3hr0 h THR 570 Cb 0.02 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 3hr0 h THR 570 CO -0.01 0.03 0.29 0.50 0.37 0.00 0.00 175.52 176.70 3hr0 h LYS 571 N 0.19 0.74 -0.60 6.66 1.63 -0.92 -2.71 116.57 121.56 3hr0 h LYS 571 Ca 0.08 -0.09 0.08 0.00 -0.85 0.00 0.00 60.65 59.87 3hr0 h LYS 571 Cb 0.02 -0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 31.45 3hr0 h LYS 571 CO -0.06 0.57 0.26 1.25 -3.45 0.00 0.00 179.45 178.03 3hr0 h LEU 572 N 0.70 0.31 -1.59 5.20 5.85 0.07 -1.91 115.31 123.95 3hr0 h LEU 572 Ca 0.19 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3hr0 h LEU 572 Cb 0.05 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3hr0 h LEU 572 CO -0.03 0.20 0.00 0.49 -0.34 0.00 0.00 178.44 178.76 3hr0 n PHE 573 N -4.94 0.31 0.47 1.25 3.72 -1.12 -4.51 117.46 112.66 3hr0 n PHE 573 Ca 0.08 -0.16 0.12 0.00 -0.05 0.00 0.00 57.45 57.44 3hr0 n PHE 573 Cb 0.23 0.00 0.46 0.00 -0.94 0.00 0.00 39.48 39.23 3hr0 n PHE 573 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3hr0 n SER 574 N 0.80 0.62 -0.91 4.37 3.41 -0.72 -3.44 113.62 117.75 3hr0 n SER 574 Ca 0.17 0.63 0.04 0.00 -0.26 0.00 0.00 58.87 59.45 3hr0 n SER 574 Cb 0.44 -0.77 0.15 0.00 -0.26 0.00 0.00 64.21 63.78 3hr0 n SER 574 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hr0 n GLN 575 N -2.16 1.24 -0.23 4.33 6.02 -1.26 -4.99 117.38 120.33 3hr0 n GLN 575 Ca 0.03 -2.99 0.00 0.00 -0.01 0.00 0.00 57.00 54.03 3hr0 n GLN 575 Cb 0.27 -1.21 0.00 0.00 1.02 0.00 0.00 30.24 30.32 3hr0 n GLN 575 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hr0 n GLY 576 N -0.67 1.54 3.83 1.08 0.00 -1.22 -5.03 105.19 104.71 3hr0 n GLY 576 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3hr0 n GLY 576 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hr0 s ILE 577 N -2.88 5.24 0.00 -0.61 1.01 -1.26 -4.90 121.20 117.80 3hr0 s ILE 577 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.23 3hr0 s ILE 577 Cb 0.00 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.87 3hr0 s ILE 577 CO 0.00 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.11 3hr0 n GLY 578 N 2.17 1.11 0.00 6.18 0.00 -1.26 -4.41 105.19 108.98 3hr0 n GLY 578 Ca -0.15 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3hr0 n GLY 578 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hr0 n GLY 579 N 2.80 1.46 0.35 -0.02 0.00 -1.26 -4.84 105.19 103.69 3hr0 n GLY 579 Ca 0.00 -2.00 0.03 0.00 0.00 0.00 0.00 46.02 44.05 3hr0 n GLY 579 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hr0 h GLU 580 N 0.00 1.04 -0.07 1.61 4.81 -2.00 -1.37 114.58 118.60 3hr0 h GLU 580 Ca 0.00 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3hr0 h GLU 580 Cb 0.00 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.14 3hr0 h GLU 580 CO 0.00 0.69 0.00 1.96 -0.73 0.00 0.00 179.01 180.93 3hr0 h GLN 581 N 1.07 0.12 -0.64 1.92 1.08 -1.99 -0.35 115.11 116.33 3hr0 h GLN 581 Ca 0.42 -0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 57.50 3hr0 h GLN 581 Cb 0.23 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 3hr0 h GLN 581 CO -0.19 0.38 0.07 0.00 -0.95 0.00 0.00 178.83 178.14 3hr0 h ALA 582 N 0.73 0.85 -0.50 3.87 0.00 -1.89 -1.04 119.26 121.28 3hr0 h ALA 582 Ca 0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3hr0 h ALA 582 Cb 0.33 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3hr0 h ALA 582 CO 0.00 0.64 0.22 1.96 0.00 0.00 0.00 179.25 182.08 3hr0 h GLN 583 N 0.99 0.74 -0.51 0.00 4.20 -1.15 -0.90 115.11 118.48 3hr0 h GLN 583 Ca 0.19 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 3hr0 h GLN 583 Cb 0.48 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 3hr0 h GLN 583 CO 0.02 0.64 0.12 0.00 -0.67 0.00 0.00 178.83 178.93 3hr0 h ALA 584 N 1.07 0.67 -0.69 3.87 0.00 -0.95 -1.77 119.26 121.45 3hr0 h ALA 584 Ca 0.17 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3hr0 h ALA 584 Cb 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3hr0 h ALA 584 CO -0.02 0.37 0.21 0.87 0.00 0.00 0.00 179.25 180.69 3hr0 h LYS 585 N 0.71 1.07 -0.37 0.00 1.57 -1.02 -1.79 116.57 116.74 3hr0 h LYS 585 Ca 0.16 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 3hr0 h LYS 585 Cb 0.35 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3hr0 h LYS 585 CO 0.00 0.92 -0.12 0.35 -0.57 0.00 0.00 179.45 180.03 3hr0 h PHE 586 N 1.03 0.83 -0.77 -1.35 3.04 -1.05 -1.40 116.94 117.28 3hr0 h PHE 586 Ca 0.23 -0.19 -0.02 0.00 3.98 0.00 0.00 57.97 61.97 3hr0 h PHE 586 Cb 0.30 -0.20 -0.04 0.00 2.56 0.00 0.00 35.95 38.57 3hr0 h PHE 586 CO 0.02 0.90 0.40 -0.44 -2.02 0.00 0.00 178.31 177.17 3hr0 h ASP 587 N 0.53 0.96 -0.30 0.41 3.32 -1.19 -1.36 116.42 118.78 3hr0 h ASP 587 Ca 0.09 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 3hr0 h ASP 587 Cb 0.65 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3hr0 h ASP 587 CO 0.04 0.78 -0.12 -1.28 -1.72 0.00 0.00 179.24 176.94 3hr0 h SER 588 N 1.07 0.64 -0.43 6.45 0.87 -1.16 -0.98 113.55 120.01 3hr0 h SER 588 Ca 0.27 -0.39 0.07 0.00 -1.23 0.00 0.00 61.79 60.51 3hr0 h SER 588 Cb 0.05 -0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 61.77 3hr0 h SER 588 CO -0.04 0.89 0.07 0.00 -0.53 0.00 0.00 176.83 177.22 3hr0 h LEU 590 N 0.20 1.02 -0.70 0.00 3.38 -1.04 -1.64 115.31 116.52 3hr0 h LEU 590 Ca 0.21 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 3hr0 h LEU 590 Cb 0.28 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3hr0 h LEU 590 CO -0.30 1.12 0.44 -1.28 0.09 0.00 0.00 178.44 178.51 3hr0 h SER 591 N 0.89 0.83 -0.63 -0.43 0.87 -1.10 -1.26 113.55 112.72 3hr0 h SER 591 Ca 0.14 -0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 3hr0 h SER 591 Cb 0.65 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.37 3hr0 h SER 591 CO 0.04 0.63 0.26 0.44 -0.53 0.00 0.00 176.83 177.67 3hr0 h ASP 592 N 0.95 0.89 -0.51 6.23 3.32 -0.90 -1.10 116.42 125.30 3hr0 h ASP 592 Ca 0.25 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 57.07 3hr0 h ASP 592 Cb -0.05 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.25 3hr0 h ASP 592 CO -0.05 0.80 -0.10 -0.07 -1.72 0.00 0.00 179.24 178.10 3hr0 h LEU 593 N 0.95 0.97 -0.53 1.55 3.38 -1.01 -1.15 115.31 119.47 3hr0 h LEU 593 Ca 0.22 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.90 3hr0 h LEU 593 Cb 0.19 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 3hr0 h LEU 593 CO -0.02 1.09 0.23 0.00 0.09 0.00 0.00 178.44 179.83 3hr0 h ALA 594 N 0.91 0.67 -0.46 1.53 0.00 -0.99 -0.63 119.26 120.29 3hr0 h ALA 594 Ca 0.13 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3hr0 h ALA 594 Cb 0.66 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3hr0 h ALA 594 CO 0.05 -0.15 0.07 0.00 0.00 0.00 0.00 179.25 179.22 3hr0 h ALA 595 N 1.32 0.61 0.00 0.00 0.00 -0.93 -2.38 119.26 117.88 3hr0 h ALA 595 Ca 0.25 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3hr0 h ALA 595 Cb 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3hr0 h ALA 595 CO -0.21 0.34 -0.74 -0.24 0.00 0.00 0.00 179.25 178.40 3hr0 h VAL 596 N 0.63 1.50 -0.82 0.00 3.04 -1.11 -2.34 116.25 117.16 3hr0 h VAL 596 Ca 0.14 -2.58 -0.02 0.00 -1.01 0.00 0.00 66.70 63.23 3hr0 h VAL 596 Cb 0.39 2.40 -0.04 0.00 -2.01 0.00 0.00 31.29 32.04 3hr0 h VAL 596 CO 0.01 0.73 0.42 -1.28 -1.01 0.00 0.00 177.57 176.44 3hr0 h SER 597 N 0.00 1.04 -0.48 3.17 0.87 -0.95 0.56 113.55 117.76 3hr0 h SER 597 Ca -0.01 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.42 3hr0 h SER 597 Cb 1.34 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 63.01 3hr0 h SER 597 CO 0.10 0.86 0.23 -1.13 -0.53 0.00 0.00 176.83 176.36 3hr0 h ASN 598 N 1.15 0.63 -0.44 6.23 -0.73 -1.27 -2.75 115.58 118.40 3hr0 h ASN 598 Ca 0.28 -0.13 -0.03 0.00 1.87 0.00 0.00 56.30 58.30 3hr0 h ASN 598 Cb 0.08 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.48 3hr0 h ASN 598 CO -0.04 0.59 0.20 0.11 -0.37 0.00 0.00 177.43 177.91 3hr0 h LYS 599 N 0.63 0.70 -0.32 6.67 1.57 -0.91 -2.01 116.57 122.90 3hr0 h LYS 599 Ca 0.16 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 3hr0 h LYS 599 Cb 0.13 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3hr0 h LYS 599 CO -0.02 0.57 -0.14 0.74 -0.57 0.00 0.00 179.45 180.04 3hr0 h PHE 600 N 0.69 0.60 -0.30 -1.35 0.04 -0.74 -0.14 116.94 115.75 3hr0 h PHE 600 Ca 0.17 -0.10 -0.15 0.00 2.80 0.00 0.00 57.97 60.69 3hr0 h PHE 600 Cb 0.14 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.12 3hr0 h PHE 600 CO 0.01 0.67 -0.41 -0.09 -0.60 0.00 0.00 178.31 177.89 3hr0 h ARG 601 N 0.51 0.72 -0.43 1.51 9.65 -1.09 -2.09 114.38 123.14 3hr0 h ARG 601 Ca 0.09 -0.38 -0.06 0.00 -1.10 0.00 0.00 59.98 58.53 3hr0 h ARG 601 Cb 0.53 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.11 3hr0 h ARG 601 CO 0.03 0.99 0.04 0.22 2.80 0.00 0.00 179.97 184.05 3hr0 h ASP 602 N 0.59 0.72 -0.41 -3.80 3.58 -1.22 -1.72 116.42 114.16 3hr0 h ASP 602 Ca 0.05 -0.28 0.05 0.00 0.42 0.00 0.00 57.03 57.26 3hr0 h ASP 602 Cb 0.95 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.76 3hr0 h ASP 602 CO 0.09 0.82 0.15 0.25 -2.88 0.00 0.00 179.24 177.67 3hr0 h LEU 603 N 0.59 0.16 -0.54 2.28 5.85 -0.89 0.09 115.31 122.85 3hr0 h LEU 603 Ca 0.13 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3hr0 h LEU 603 Cb 0.43 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 3hr0 h LEU 603 CO 0.01 0.13 0.33 -0.07 -0.34 0.00 0.00 178.44 178.50 3hr0 h LEU 604 N 0.31 0.65 -0.66 2.25 3.38 -1.23 0.07 115.31 120.08 3hr0 h LEU 604 Ca 0.19 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3hr0 h LEU 604 Cb 0.17 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3hr0 h LEU 604 CO -0.19 0.52 0.23 -0.61 0.09 0.00 0.00 178.44 178.48 3hr0 h GLN 605 N 0.73 1.02 -0.46 1.13 5.75 -0.95 -1.76 115.11 120.57 3hr0 h GLN 605 Ca 0.19 -0.21 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 3hr0 h GLN 605 Cb -0.01 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.37 3hr0 h GLN 605 CO -0.04 0.87 0.19 1.49 -2.65 0.00 0.00 178.83 178.69 3hr0 h GLU 606 N 0.95 0.68 -0.17 1.69 4.57 -0.71 -1.00 114.58 120.60 3hr0 h GLU 606 Ca 0.22 -0.12 0.02 0.00 -1.18 0.00 0.00 59.36 58.29 3hr0 h GLU 606 Cb 0.27 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 3hr0 h GLU 606 CO -0.01 0.61 0.04 0.78 -1.18 0.00 0.00 179.01 179.25 3hr0 h GLY 607 N 0.59 0.19 1.27 1.92 0.00 -0.77 -1.61 103.07 104.66 3hr0 h GLY 607 Ca 0.15 -0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.40 3hr0 h GLY 607 CO -0.01 0.00 0.10 1.41 0.00 0.00 0.00 176.54 178.04 3hr0 h LEU 608 N 0.11 0.86 -0.76 3.11 3.38 -1.20 -0.41 115.31 120.39 3hr0 h LEU 608 Ca 0.07 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 3hr0 h LEU 608 Cb 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3hr0 h LEU 608 CO -0.10 0.86 -0.40 0.00 0.09 0.00 0.00 178.44 178.89 3hr0 h THR 609 N 0.86 1.30 -0.38 0.22 1.03 -0.96 -0.24 112.91 114.73 3hr0 h THR 609 Ca 0.18 -1.55 -0.10 0.00 -0.01 0.00 0.00 66.41 64.93 3hr0 h THR 609 Cb 0.37 1.59 -0.01 0.00 -1.07 0.00 0.00 68.15 69.03 3hr0 h THR 609 CO 0.01 0.48 -0.14 -0.33 -0.01 0.00 0.00 175.52 175.53 3hr0 h GLU 610 N 0.38 0.77 -0.06 0.00 5.08 -1.05 -1.23 114.58 118.48 3hr0 h GLU 610 Ca 0.03 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3hr0 h GLU 610 Cb 0.87 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 3hr0 h GLU 610 CO 0.07 0.93 0.03 1.25 -1.00 0.00 0.00 179.01 180.30 3hr0 h LEU 611 N 0.57 0.07 -0.30 1.33 7.12 -0.91 0.09 115.31 123.28 3hr0 h LEU 611 Ca 0.09 -0.08 0.06 0.00 0.13 0.00 0.00 57.88 58.08 3hr0 h LEU 611 Cb 0.68 -0.02 -0.06 0.00 -0.53 0.00 0.00 40.66 40.73 3hr0 h LEU 611 CO 0.05 0.13 -0.12 -1.13 -0.13 0.00 0.00 178.44 177.24 3hr0 h ASN 612 N 0.01 -0.41 -0.28 1.25 -0.00 -1.00 0.28 115.58 115.43 3hr0 h ASN 612 Ca 0.02 0.11 -0.08 0.00 -0.00 0.00 0.00 56.30 56.34 3hr0 h ASN 612 Cb 0.08 0.24 -0.02 0.00 -0.00 0.00 0.00 38.32 38.61 3hr0 h ASN 612 CO -0.00 -0.15 -0.10 -1.28 -0.00 0.00 0.00 177.43 175.89 3hr0 h SER 613 N -0.06 0.68 0.09 1.15 0.87 -1.05 0.38 113.55 115.61 3hr0 h SER 613 Ca 0.15 -0.19 -0.13 0.00 -1.23 0.00 0.00 61.79 60.39 3hr0 h SER 613 Cb 0.29 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3hr0 h SER 613 CO -0.34 0.81 -0.57 0.74 -0.53 0.00 0.00 176.83 176.94 3hr0 h THR 614 N 0.63 1.59 0.00 2.23 2.02 -0.47 -3.39 112.91 115.52 3hr0 h THR 614 Ca 0.11 -2.47 -0.21 0.00 0.77 0.00 0.00 66.41 64.61 3hr0 h THR 614 Cb 0.54 3.25 -0.04 0.00 -1.74 0.00 0.00 68.15 70.16 3hr0 h THR 614 CO 0.03 0.68 -1.80 0.00 0.37 0.00 0.00 175.52 174.80 3hr0 n ALA 615 N -2.66 1.71 -0.09 6.16 0.00 0.93 -4.58 120.51 121.97 3hr0 n ALA 615 Ca -0.13 -0.76 -0.23 0.00 0.00 0.00 0.00 53.44 52.32 3hr0 n ALA 615 Cb 0.71 0.02 -0.12 0.00 0.00 0.00 0.00 19.45 20.06 3hr0 n ALA 615 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hr0 n ILE 616 N -2.47 1.59 -0.23 0.00 5.41 -0.49 -4.31 119.36 118.85 3hr0 n ILE 616 Ca -0.20 -0.33 0.01 0.00 1.00 0.00 0.00 62.75 63.23 3hr0 n ILE 616 Cb 0.87 -1.85 0.08 0.00 -0.71 0.00 0.00 39.64 38.03 3hr0 n ILE 616 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 3hr0 h LYS 617 N -0.62 0.01 -0.19 0.38 3.64 -1.18 -0.29 116.57 118.32 3hr0 h LYS 617 Ca -0.49 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 58.95 3hr0 h LYS 617 Cb 1.63 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.44 3hr0 h LYS 617 CO -0.18 0.01 0.17 -1.35 -2.27 0.00 0.00 179.45 175.83 3hr0 h PRO 618 N 0.01 0.00 0.17 1.90 0.11 -1.80 0.77 132.00 133.17 3hr0 h PRO 618 Ca 0.33 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 66.17 3hr0 h PRO 618 Cb 0.52 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.65 3hr0 h PRO 618 CO -0.69 0.00 -1.30 1.96 -0.21 0.00 0.00 178.00 177.76 3hr0 h GLN 619 N 0.00 0.36 -0.18 1.05 4.20 -1.30 -3.39 115.11 115.85 3hr0 h GLN 619 Ca 0.09 -0.61 -0.20 0.00 0.06 0.00 0.00 58.65 58.00 3hr0 h GLN 619 Cb 0.43 0.23 0.01 0.00 0.30 0.00 0.00 27.48 28.45 3hr0 h GLN 619 CO -0.00 1.29 -0.65 0.28 -0.67 0.00 0.00 178.83 179.08 3hr0 h VAL 620 N -0.16 1.29 -0.56 -0.54 2.07 -0.83 -3.35 116.25 114.18 3hr0 h VAL 620 Ca -0.25 -1.87 0.11 0.00 0.82 0.00 0.00 66.70 65.51 3hr0 h VAL 620 Cb 1.87 1.93 -0.11 0.00 -1.52 0.00 0.00 31.29 33.47 3hr0 h VAL 620 CO 0.16 0.59 -0.25 -0.61 0.02 0.00 0.00 177.57 177.48 3hr0 h GLN 621 N 0.48 -0.11 -0.74 1.57 5.75 -1.04 0.03 115.11 121.04 3hr0 h GLN 621 Ca -0.03 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.51 3hr0 h GLN 621 Cb 1.28 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.81 3hr0 h GLN 621 CO 0.14 -0.07 0.49 -1.35 -2.65 0.00 0.00 178.83 175.38 3hr0 h PRO 622 N -0.11 0.85 -0.51 -2.39 0.11 -1.77 0.84 132.00 129.03 3hr0 h PRO 622 Ca 0.25 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.19 3hr0 h PRO 622 Cb 0.51 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 3hr0 h PRO 622 CO -0.63 0.57 -0.14 -1.49 -0.21 0.00 0.00 178.00 176.10 3hr0 h TRP 623 N 0.88 1.09 -0.27 0.65 6.55 -1.19 -2.00 115.95 121.66 3hr0 h TRP 623 Ca 0.30 -0.23 -0.07 0.00 0.95 0.00 0.00 58.89 59.83 3hr0 h TRP 623 Cb 0.08 -0.27 -0.01 0.00 -0.86 0.00 0.00 29.16 28.11 3hr0 h TRP 623 CO -0.00 1.03 -0.12 0.82 -1.05 0.00 0.00 178.44 179.12 3hr0 h ILE 624 N 0.86 1.29 -0.48 1.49 2.04 -0.88 -3.13 117.51 118.70 3hr0 h ILE 624 Ca 0.13 -1.19 0.14 0.00 1.00 0.00 0.00 64.86 64.94 3hr0 h ILE 624 Cb 0.69 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 3hr0 h ILE 624 CO 0.05 0.38 0.34 0.78 0.00 0.00 0.00 178.15 179.70 3hr0 h ASN 625 N 0.30 0.01 -0.37 1.72 2.35 -0.59 -1.25 115.58 117.75 3hr0 h ASN 625 Ca 0.06 0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.92 3hr0 h ASN 625 Cb 0.62 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 3hr0 h ASN 625 CO 0.04 0.00 0.32 0.28 -1.65 0.00 0.00 177.43 176.42 3hr0 h SER 626 N 0.01 0.00 -0.95 5.81 0.02 -1.30 -1.60 113.55 115.53 3hr0 h SER 626 Ca 0.23 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 61.33 3hr0 h SER 626 Cb 0.90 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.35 3hr0 h SER 626 CO -0.00 0.00 0.56 0.15 -1.14 0.00 0.00 176.83 176.40 3hr0 h PHE 627 N 0.00 1.01 -0.65 3.45 3.04 -1.39 -2.10 116.94 120.30 3hr0 h PHE 627 Ca 0.17 0.03 0.09 0.00 3.98 0.00 0.00 57.97 62.25 3hr0 h PHE 627 Cb 0.81 -0.30 -0.04 0.00 2.56 0.00 0.00 35.95 38.97 3hr0 h PHE 627 CO 0.00 0.30 0.43 0.35 -2.02 0.00 0.00 178.31 177.37 3hr0 h PHE 628 N 0.81 0.54 -0.00 0.41 3.57 -1.48 -1.66 116.94 119.12 3hr0 h PHE 628 Ca 0.51 0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.03 3hr0 h PHE 628 Cb 0.67 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.23 3hr0 h PHE 628 CO -0.03 0.26 -0.15 -1.13 -2.23 0.00 0.00 178.31 175.03 3hr0 n SER 629 N -4.48 0.60 -4.59 0.41 3.41 -0.79 -4.68 113.62 103.50 3hr0 n SER 629 Ca 0.10 -0.62 -0.41 0.00 -0.26 0.00 0.00 58.87 57.68 3hr0 n SER 629 Cb 0.34 -0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.20 3hr0 n SER 629 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3hr0 s VAL 630 N -2.51 4.95 0.24 -3.33 1.01 -0.63 -5.03 120.40 115.10 3hr0 s VAL 630 Ca 0.27 0.73 -0.31 0.00 0.00 0.00 0.00 61.98 62.67 3hr0 s VAL 630 Cb 0.20 -4.00 -0.11 0.00 0.00 0.00 0.00 36.38 32.47 3hr0 s VAL 630 CO 0.49 -0.17 1.62 -0.55 0.00 0.00 0.00 175.10 176.50 3hr0 s SER 631 N 1.68 6.44 -0.17 3.32 0.15 -1.26 -4.87 113.70 118.99 3hr0 s SER 631 Ca 0.24 2.84 0.17 0.00 0.70 0.00 0.00 55.95 59.89 3hr0 s SER 631 Cb -0.15 -2.61 0.43 0.00 -1.71 0.00 0.00 66.02 61.98 3hr0 s SER 631 CO 0.12 -0.90 1.32 1.41 1.20 0.00 0.00 173.24 176.39 3hr0 n HIS 632 N 3.15 0.57 -3.84 3.44 8.25 -1.25 -4.80 115.22 120.74 3hr0 n HIS 632 Ca 0.12 -1.01 -0.33 0.00 -0.26 0.00 0.00 57.72 56.24 3hr0 n HIS 632 Cb 0.37 -0.27 -0.12 0.00 1.12 0.00 0.00 29.99 31.10 3hr0 n HIS 632 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3hr0 s ASN 633 N -2.39 4.80 0.07 0.41 2.47 -1.22 -1.69 114.94 117.39 3hr0 s ASN 633 Ca 0.38 -3.07 0.02 0.00 0.42 0.00 0.00 52.86 50.62 3hr0 s ASN 633 Cb 0.33 -1.74 -0.03 0.00 -1.45 0.00 0.00 41.25 38.36 3hr0 s ASN 633 CO 0.05 -0.27 -0.08 0.27 -3.72 0.00 0.00 177.10 173.36 3hr0 s ILE 634 N -0.37 0.67 0.50 -5.21 -4.36 -1.26 -4.93 121.20 106.24 3hr0 s ILE 634 Ca 0.18 -1.48 0.08 0.00 -0.26 0.00 0.00 60.65 59.17 3hr0 s ILE 634 Cb -0.21 -1.12 0.03 0.00 1.25 0.00 0.00 42.46 42.41 3hr0 s ILE 634 CO -0.03 -0.58 0.56 -1.61 0.24 0.00 0.00 174.94 173.51 3hr0 s GLU 635 N -2.58 2.46 0.47 0.37 2.02 -1.26 -4.56 118.70 115.62 3hr0 s GLU 635 Ca 0.00 -1.62 0.14 0.00 0.02 0.00 0.00 54.97 53.51 3hr0 s GLU 635 Cb -0.03 -2.48 1.08 0.00 0.10 0.00 0.00 34.13 32.80 3hr0 s GLU 635 CO -0.02 -0.52 2.06 0.93 0.02 0.00 0.00 175.26 177.74 3hr0 h GLU 636 N 0.62 0.09 -0.61 1.61 4.39 -2.01 -1.93 114.58 116.74 3hr0 h GLU 636 Ca -0.36 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.32 3hr0 h GLU 636 Cb 1.28 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.89 3hr0 h GLU 636 CO 0.49 0.14 0.34 1.49 -1.16 0.00 0.00 179.01 180.31 3hr0 h GLU 637 N 0.09 0.84 -0.25 2.33 4.81 -1.99 0.14 114.58 120.56 3hr0 h GLU 637 Ca 0.02 -0.10 -0.20 0.00 -0.13 0.00 0.00 59.36 58.96 3hr0 h GLU 637 Cb 0.13 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3hr0 h GLU 637 CO 0.01 0.64 -0.61 0.93 -0.73 0.00 0.00 179.01 179.24 3hr0 h GLU 638 N 0.82 0.83 -0.76 1.92 3.07 -1.83 -1.56 114.58 117.07 3hr0 h GLU 638 Ca 0.21 -0.57 0.03 0.00 -0.50 0.00 0.00 59.36 58.53 3hr0 h GLU 638 Cb 0.04 0.08 -0.05 0.00 -0.84 0.00 0.00 28.75 27.98 3hr0 h GLU 638 CO -0.04 1.19 0.49 0.35 -1.40 0.00 0.00 179.01 179.61 3hr0 h PHE 639 N 0.62 0.92 -0.44 4.33 3.57 -1.16 0.39 116.94 125.17 3hr0 h PHE 639 Ca -0.00 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.40 3hr0 h PHE 639 Cb 1.22 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 3hr0 h PHE 639 CO 0.07 0.53 -0.20 -0.91 -2.23 0.00 0.00 178.31 175.58 3hr0 h ASN 640 N 0.96 0.88 -0.41 0.41 2.35 -0.64 -1.48 115.58 117.64 3hr0 h ASN 640 Ca 0.30 -0.32 0.06 0.00 -0.55 0.00 0.00 56.30 55.79 3hr0 h ASN 640 Cb -0.00 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.07 3hr0 h ASN 640 CO -0.10 1.06 0.12 0.44 -1.65 0.00 0.00 177.43 177.29 3hr0 h ASP 641 N 0.76 0.09 -0.32 5.81 3.32 -0.87 -1.90 116.42 123.30 3hr0 h ASP 641 Ca 0.11 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3hr0 h ASP 641 Cb 0.74 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 3hr0 h ASP 641 CO 0.06 0.09 0.17 1.88 -1.72 0.00 0.00 179.24 179.71 3hr0 h TYR 642 N 0.27 0.49 -0.41 4.55 0.05 -0.71 0.77 116.97 121.97 3hr0 h TYR 642 Ca 0.19 -0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.87 3hr0 h TYR 642 Cb 0.21 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.77 3hr0 h TYR 642 CO -0.17 0.37 -0.13 0.93 -1.05 0.00 0.00 178.16 178.10 3hr0 h GLU 643 N 0.50 0.75 0.19 4.88 5.08 -0.67 -3.00 114.58 122.32 3hr0 h GLU 643 Ca 0.13 -0.26 -0.31 0.00 -1.00 0.00 0.00 59.36 57.92 3hr0 h GLU 643 Cb 0.06 -0.06 0.03 0.00 0.50 0.00 0.00 28.75 29.28 3hr0 h GLU 643 CO -0.02 0.85 -1.37 0.00 -1.00 0.00 0.00 179.01 177.48 3hr0 h ALA 644 N 1.17 -0.06 -2.92 3.43 0.00 -0.96 -3.42 119.26 116.49 3hr0 h ALA 644 Ca 0.11 -0.84 -0.55 0.00 0.00 0.00 0.00 54.91 53.64 3hr0 h ALA 644 Cb 0.61 0.13 -0.40 0.00 0.00 0.00 0.00 17.79 18.13 3hr0 h ALA 644 CO 0.04 0.74 -0.77 -0.80 0.00 0.00 0.00 179.25 178.46 3hr0 s ASN 645 N -7.46 3.71 0.18 0.00 -0.87 0.23 -5.11 114.94 105.62 3hr0 s ASN 645 Ca -0.08 -1.45 -0.32 0.00 -1.57 0.00 0.00 52.86 49.44 3hr0 s ASN 645 Cb 0.05 -0.55 -0.12 0.00 -0.02 0.00 0.00 41.25 40.62 3hr0 s ASN 645 CO 0.93 -0.43 1.77 -0.67 -2.57 0.00 0.00 177.10 176.13 3hr0 n ASP 646 N 5.07 4.05 0.09 -1.22 2.03 -1.13 -4.28 116.55 121.15 3hr0 n ASP 646 Ca -0.04 1.04 0.12 0.00 0.52 0.00 0.00 54.79 56.43 3hr0 n ASP 646 Cb 0.42 -1.57 0.28 0.00 -0.72 0.00 0.00 41.12 39.53 3hr0 n ASP 646 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hr0 h PRO 647 N 7.36 0.00 0.00 -0.67 0.13 -1.93 -3.46 132.00 133.43 3hr0 h PRO 647 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3hr0 h PRO 647 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3hr0 h PRO 647 CO 0.96 0.00 0.00 1.87 -0.23 0.00 0.00 178.00 180.60 3hr0 n TRP 648 N -2.23 -2.68 -0.11 1.56 -0.00 -1.26 -4.99 117.44 107.73 3hr0 n TRP 648 Ca 0.04 0.61 -0.07 0.00 -0.00 0.00 0.00 57.50 58.08 3hr0 n TRP 648 Cb 0.44 1.59 0.11 0.00 -0.00 0.00 0.00 31.31 33.45 3hr0 n TRP 648 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 177.69 177.45 3hr0 h VAL 649 N 0.00 1.26 -0.49 5.87 3.04 -1.95 -1.26 116.25 122.73 3hr0 h VAL 649 Ca 0.00 -1.18 -0.10 0.00 -1.01 0.00 0.00 66.70 64.41 3hr0 h VAL 649 Cb 0.00 1.01 -0.02 0.00 -2.01 0.00 0.00 31.29 30.28 3hr0 h VAL 649 CO 0.00 0.41 -0.08 1.56 -1.01 0.00 0.00 177.57 178.44 3hr0 h GLN 650 N 0.75 0.92 -0.32 4.17 1.08 -1.94 -0.31 115.11 119.46 3hr0 h GLN 650 Ca 0.13 -0.34 -0.13 0.00 -1.45 0.00 0.00 58.65 56.86 3hr0 h GLN 650 Cb 0.59 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 3hr0 h GLN 650 CO 0.04 0.99 -0.32 0.37 -0.95 0.00 0.00 178.83 178.96 3hr0 h GLN 651 N 0.77 0.69 -0.34 1.46 5.75 -1.87 -1.68 115.11 119.90 3hr0 h GLN 651 Ca 0.13 -0.32 0.04 0.00 -0.15 0.00 0.00 58.65 58.35 3hr0 h GLN 651 Cb 0.63 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.13 3hr0 h GLN 651 CO 0.04 0.92 0.11 0.35 -2.65 0.00 0.00 178.83 177.60 3hr0 h PHE 652 N 0.59 0.20 -0.44 3.99 3.57 -0.91 -0.36 116.94 123.57 3hr0 h PHE 652 Ca 0.07 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 3hr0 h PHE 652 Cb 0.83 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 3hr0 h PHE 652 CO 0.04 0.08 0.27 0.82 -2.23 0.00 0.00 178.31 177.29 3hr0 h ILE 653 N 0.26 1.13 -0.90 1.41 2.04 -0.85 -1.01 117.51 119.58 3hr0 h ILE 653 Ca 0.15 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 65.80 3hr0 h ILE 653 Cb 0.13 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 3hr0 h ILE 653 CO -0.16 0.13 0.57 -0.07 0.00 0.00 0.00 178.15 178.61 3hr0 h LEU 654 N 0.58 0.90 -0.35 1.44 4.07 -1.02 -0.01 115.31 120.92 3hr0 h LEU 654 Ca 0.16 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.11 3hr0 h LEU 654 Cb -0.02 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.52 3hr0 h LEU 654 CO -0.03 0.57 0.13 0.78 -1.08 0.00 0.00 178.44 178.81 3hr0 h ASN 655 N 1.03 0.49 -0.57 -0.43 2.35 -0.44 -1.82 115.58 116.19 3hr0 h ASN 655 Ca 0.39 -0.18 0.02 0.00 -0.55 0.00 0.00 56.30 55.98 3hr0 h ASN 655 Cb 0.17 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 3hr0 h ASN 655 CO -0.17 0.53 0.36 -0.07 -1.65 0.00 0.00 177.43 176.43 3hr0 h LEU 656 N 0.41 0.61 -0.23 1.61 3.38 -0.92 -1.62 115.31 118.55 3hr0 h LEU 656 Ca 0.11 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3hr0 h LEU 656 Cb 0.20 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3hr0 h LEU 656 CO -0.01 0.44 0.05 -0.33 0.09 0.00 0.00 178.44 178.68 3hr0 h GLU 657 N 0.73 0.14 -0.01 1.13 5.08 -0.81 0.77 114.58 121.60 3hr0 h GLU 657 Ca 0.22 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3hr0 h GLU 657 Cb -0.04 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3hr0 h GLU 657 CO -0.07 0.09 0.01 0.37 -1.00 0.00 0.00 179.01 178.41 3hr0 h GLN 658 N 0.14 0.02 -0.25 2.33 4.15 -1.25 -1.19 115.11 119.07 3hr0 h GLN 658 Ca 0.10 -0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.58 3hr0 h GLN 658 Cb 0.09 -0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.72 3hr0 h GLN 658 CO -0.13 0.15 -0.15 0.37 -1.93 0.00 0.00 178.83 177.14 3hr0 h GLN 659 N -0.12 -0.12 0.00 1.69 4.15 -1.15 -2.61 115.11 116.95 3hr0 h GLN 659 Ca 0.00 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 3hr0 h GLN 659 Cb 0.14 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 3hr0 h GLN 659 CO -0.00 -0.08 -0.25 0.52 -1.93 0.00 0.00 178.83 177.09 3hr0 h MET 660 N -0.13 0.00 -0.56 1.69 2.86 -0.75 -2.99 114.93 115.04 3hr0 h MET 660 Ca 0.14 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 3hr0 h MET 660 Cb 0.34 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 3hr0 h MET 660 CO -0.33 0.25 0.23 0.00 1.06 0.00 0.00 176.91 178.12 3hr0 h ALA 661 N 1.75 1.35 -0.15 6.32 0.00 -0.81 -1.81 119.26 125.90 3hr0 h ALA 661 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hr0 h ALA 661 Cb 0.56 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3hr0 h ALA 661 CO 0.03 0.49 0.10 1.49 0.00 0.00 0.00 179.25 181.37 3hr0 h GLU 662 N 0.80 0.20 0.16 0.00 4.81 -1.48 -3.13 114.58 115.94 3hr0 h GLU 662 Ca 0.19 -0.01 -0.35 0.00 -0.13 0.00 0.00 59.36 59.06 3hr0 h GLU 662 Cb 0.15 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3hr0 h GLU 662 CO -0.02 0.13 -1.79 0.74 -0.73 0.00 0.00 179.01 177.34 3hr0 h PHE 663 N 0.20 0.63 -0.22 0.92 0.04 -1.48 -3.35 116.94 113.68 3hr0 h PHE 663 Ca 0.06 -0.46 -0.03 0.00 2.80 0.00 0.00 57.97 60.33 3hr0 h PHE 663 Cb -0.01 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 3hr0 h PHE 663 CO -0.00 1.67 -0.01 -0.22 -0.60 0.00 0.00 178.31 179.15 3hr0 h LYS 664 N 0.10 0.32 -0.23 1.51 3.64 -1.35 -1.58 116.57 118.98 3hr0 h LYS 664 Ca -0.35 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 58.91 3hr0 h LYS 664 Cb 2.08 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.83 3hr0 h LYS 664 CO 0.16 0.35 -0.13 0.00 -2.27 0.00 0.00 179.45 177.56 3hr0 h ALA 665 N 1.69 1.37 -0.00 5.00 0.00 -1.69 -3.34 119.26 122.29 3hr0 h ALA 665 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hr0 h ALA 665 Cb 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hr0 h ALA 665 CO 0.01 0.43 -0.53 0.43 0.00 0.00 0.00 179.25 179.59 3hr0 n SER 666 N -4.23 0.63 -4.40 0.00 7.64 -0.66 -5.03 113.62 107.57 3hr0 n SER 666 Ca 0.00 -0.82 -0.27 0.00 1.01 0.00 0.00 58.87 58.79 3hr0 n SER 666 Cb 0.30 0.95 -0.12 0.00 -1.01 0.00 0.00 64.21 64.32 3hr0 n SER 666 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hr0 s LEU 667 N -2.48 2.39 0.76 -3.43 1.43 -0.83 -4.90 118.68 111.62 3hr0 s LEU 667 Ca 0.05 -0.82 -0.13 0.00 -1.03 0.00 0.00 54.13 52.20 3hr0 s LEU 667 Cb 0.09 -1.17 0.06 0.00 0.03 0.00 0.00 46.19 45.20 3hr0 s LEU 667 CO 0.47 0.14 1.15 -0.94 0.23 0.00 0.00 176.35 177.40 3hr0 s SER 668 N -2.42 4.15 0.22 2.29 1.04 -1.26 -4.72 113.70 113.01 3hr0 s SER 668 Ca 0.18 2.15 -0.08 0.00 0.48 0.00 0.00 55.95 58.68 3hr0 s SER 668 Cb -0.09 -2.56 0.36 0.00 0.10 0.00 0.00 66.02 63.83 3hr0 s SER 668 CO 0.08 -2.28 1.70 -0.65 0.98 0.00 0.00 173.24 173.07 3hr0 h PRO 669 N -0.73 0.26 -0.97 4.02 0.11 -1.98 0.41 132.00 133.13 3hr0 h PRO 669 Ca -0.46 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.67 3hr0 h PRO 669 Cb 1.27 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 3hr0 h PRO 669 CO 0.49 0.17 0.63 0.28 -0.21 0.00 0.00 178.00 179.37 3hr0 h VAL 670 N 0.27 1.18 0.02 3.15 2.07 -1.99 0.26 116.25 121.21 3hr0 h VAL 670 Ca 0.36 -0.42 -0.11 0.00 0.82 0.00 0.00 66.70 67.34 3hr0 h VAL 670 Cb 0.56 -0.16 0.01 0.00 -1.52 0.00 0.00 31.29 30.18 3hr0 h VAL 670 CO -0.44 0.22 -0.44 0.40 0.02 0.00 0.00 177.57 177.33 3hr0 h ILE 671 N 1.23 1.51 -0.48 4.57 1.08 -1.80 -2.28 117.51 121.34 3hr0 h ILE 671 Ca 0.38 -2.09 0.05 0.00 -0.39 0.00 0.00 64.86 62.80 3hr0 h ILE 671 Cb -0.01 2.79 -0.04 0.00 -3.07 0.00 0.00 36.82 36.48 3hr0 h ILE 671 CO -0.11 0.59 0.22 0.22 -0.69 0.00 0.00 178.15 178.38 3hr0 h TYR 672 N -0.35 0.41 -0.53 1.37 3.20 -0.74 -0.11 116.97 120.22 3hr0 h TYR 672 Ca -0.06 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 3hr0 h TYR 672 Cb 1.21 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 3hr0 h TYR 672 CO 0.17 0.19 0.25 -0.44 -1.64 0.00 0.00 178.16 176.69 3hr0 h ASP 673 N 0.44 0.69 -0.62 -2.11 3.32 -0.54 0.11 116.42 117.71 3hr0 h ASP 673 Ca 0.21 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.05 3hr0 h ASP 673 Cb 0.15 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3hr0 h ASP 673 CO -0.17 0.63 0.07 0.28 -1.72 0.00 0.00 179.24 178.34 3hr0 h SER 674 N 0.70 1.03 -0.41 6.45 0.02 -1.10 -0.44 113.55 119.80 3hr0 h SER 674 Ca 0.18 -0.26 -0.13 0.00 -0.84 0.00 0.00 61.79 60.74 3hr0 h SER 674 Cb 0.12 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 3hr0 h SER 674 CO -0.02 1.04 -0.25 0.25 -1.14 0.00 0.00 176.83 176.70 3hr0 h LEU 675 N 0.99 0.93 -1.10 5.07 5.85 -0.75 -1.82 115.31 124.49 3hr0 h LEU 675 Ca 0.19 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.50 3hr0 h LEU 675 Cb 0.47 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3hr0 h LEU 675 CO 0.02 1.15 0.60 0.74 -0.34 0.00 0.00 178.44 180.61 3hr0 h THR 676 N 0.72 1.24 -0.72 1.05 2.02 -0.78 -0.47 112.91 115.96 3hr0 h THR 676 Ca 0.09 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 3hr0 h THR 676 Cb 0.83 -0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 3hr0 h THR 676 CO 0.07 0.23 0.35 1.23 0.37 0.00 0.00 175.52 177.77 3hr0 h GLY 677 N 1.24 1.11 0.91 2.16 0.00 -0.80 -0.48 103.07 107.19 3hr0 h GLY 677 Ca 0.33 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 3hr0 h GLY 677 CO -0.07 0.52 -0.01 1.41 0.00 0.00 0.00 176.54 178.39 3hr0 h LEU 678 N 1.01 0.59 -1.01 3.11 3.38 -0.85 -1.98 115.31 119.56 3hr0 h LEU 678 Ca 0.25 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.95 3hr0 h LEU 678 Cb 0.11 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 3hr0 h LEU 678 CO -0.03 0.76 0.66 0.24 0.09 0.00 0.00 178.44 180.16 3hr0 h MET 679 N 0.40 1.21 -0.39 1.13 2.86 -0.95 -0.40 114.93 118.79 3hr0 h MET 679 Ca 0.09 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 3hr0 h MET 679 Cb 0.47 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 3hr0 h MET 679 CO 0.02 0.80 0.09 1.15 1.06 0.00 0.00 176.91 180.02 3hr0 h THR 680 N 1.24 1.23 -0.88 2.22 2.02 -0.92 -0.67 112.91 117.15 3hr0 h THR 680 Ca 0.41 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 3hr0 h THR 680 Cb 0.06 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 3hr0 h THR 680 CO -0.14 0.27 0.51 0.28 0.37 0.00 0.00 175.52 176.81 3hr0 h SER 681 N 0.48 1.07 -0.37 4.18 0.02 -1.07 -1.45 113.55 116.41 3hr0 h SER 681 Ca 0.12 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3hr0 h SER 681 Cb 0.32 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3hr0 h SER 681 CO 0.00 0.84 0.23 0.25 -1.14 0.00 0.00 176.83 177.01 3hr0 h LEU 682 N 1.21 0.44 -0.24 5.07 5.85 -0.62 -1.11 115.31 125.91 3hr0 h LEU 682 Ca 0.31 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.00 3hr0 h LEU 682 Cb -0.02 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3hr0 h LEU 682 CO -0.06 0.35 0.11 0.58 -0.34 0.00 0.00 178.44 179.09 3hr0 h VAL 683 N 0.48 0.98 -0.49 1.05 2.07 -0.92 0.44 116.25 119.87 3hr0 h VAL 683 Ca 0.13 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.59 3hr0 h VAL 683 Cb -0.01 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3hr0 h VAL 683 CO -0.03 0.04 0.29 0.00 0.02 0.00 0.00 177.57 177.89 3hr0 h ALA 684 N 1.13 0.62 -0.11 1.67 0.00 -1.00 0.29 119.26 121.87 3hr0 h ALA 684 Ca 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3hr0 h ALA 684 Cb 0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3hr0 h ALA 684 CO -0.07 -0.02 0.05 0.28 0.00 0.00 0.00 179.25 179.49 3hr0 h VAL 685 N 0.57 1.11 -0.08 0.00 2.07 -1.00 -2.10 116.25 116.82 3hr0 h VAL 685 Ca 0.20 -0.33 -0.19 0.00 0.82 0.00 0.00 66.70 67.20 3hr0 h VAL 685 Cb 0.02 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3hr0 h VAL 685 CO -0.09 0.10 -0.73 -0.33 0.02 0.00 0.00 177.57 176.54 3hr0 h GLU 686 N 0.05 0.42 -0.65 1.57 4.39 -0.80 -2.43 114.58 117.13 3hr0 h GLU 686 Ca 0.04 -0.35 -0.03 0.00 0.34 0.00 0.00 59.36 59.36 3hr0 h GLU 686 Cb 0.11 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 3hr0 h GLU 686 CO -0.00 0.98 0.30 1.25 -1.16 0.00 0.00 179.01 180.38 3hr0 h LEU 687 N 0.29 0.86 -0.95 1.33 5.85 -0.96 -2.05 115.31 119.68 3hr0 h LEU 687 Ca -0.03 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.60 3hr0 h LEU 687 Cb 1.31 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 3hr0 h LEU 687 CO 0.13 0.76 0.61 -0.08 -0.34 0.00 0.00 178.44 179.52 3hr0 h GLU 688 N 0.90 1.09 -0.44 1.25 4.81 -1.18 -0.93 114.58 120.08 3hr0 h GLU 688 Ca 0.22 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3hr0 h GLU 688 Cb 0.14 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 3hr0 h GLU 688 CO -0.03 0.72 0.12 0.87 -0.73 0.00 0.00 179.01 179.97 3hr0 h LYS 689 N 1.12 0.70 -0.11 1.92 1.57 -1.01 -1.94 116.57 118.82 3hr0 h LYS 689 Ca 0.40 -0.16 -0.16 0.00 -1.87 0.00 0.00 60.65 58.86 3hr0 h LYS 689 Cb 0.12 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3hr0 h LYS 689 CO -0.16 0.69 -0.60 -0.24 -0.57 0.00 0.00 179.45 178.58 3hr0 h VAL 690 N 0.58 1.36 -0.66 0.50 3.04 -1.17 -2.97 116.25 116.93 3hr0 h VAL 690 Ca 0.14 -1.92 0.05 0.00 -1.01 0.00 0.00 66.70 63.96 3hr0 h VAL 690 Cb 0.30 1.92 -0.05 0.00 -2.01 0.00 0.00 31.29 31.45 3hr0 h VAL 690 CO -0.00 0.58 0.38 0.58 -1.01 0.00 0.00 177.57 178.10 3hr0 h VAL 691 N 0.28 1.01 0.00 1.51 2.07 -1.02 -1.71 116.25 118.39 3hr0 h VAL 691 Ca -0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3hr0 h VAL 691 Cb 1.12 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3hr0 h VAL 691 CO 0.10 0.13 0.00 0.18 0.02 0.00 0.00 177.57 178.00 3hr0 n LEU 692 N -4.76 0.00 -0.21 2.57 4.77 -0.74 -1.28 117.00 117.36 3hr0 n LEU 692 Ca 0.08 0.48 0.10 0.00 -0.03 0.00 0.00 56.01 56.65 3hr0 n LEU 692 Cb 0.14 -0.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.69 3hr0 n LEU 692 CO 0.30 -0.30 0.11 0.29 -1.33 0.00 0.00 177.39 176.46 3hr0 n LYS 693 N -1.48 0.50 -3.21 3.23 5.02 -0.67 -5.02 118.16 116.53 3hr0 n LYS 693 Ca 0.03 -0.41 -0.22 0.00 -2.02 0.00 0.00 58.31 55.68 3hr0 n LYS 693 Cb 0.13 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3hr0 n LYS 693 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3hr0 s SER 694 N -2.78 5.97 -0.13 4.39 0.01 -0.40 -5.10 113.70 115.65 3hr0 s SER 694 Ca 0.12 0.20 0.01 0.00 1.31 0.00 0.00 55.95 57.59 3hr0 s SER 694 Cb 0.17 -1.57 -0.01 0.00 0.21 0.00 0.00 66.02 64.82 3hr0 s SER 694 CO 0.74 -0.54 -0.16 -0.89 0.41 0.00 0.00 173.24 172.80 3hr0 s THR 695 N -2.40 2.72 0.11 1.44 2.01 -1.26 -4.80 115.64 113.46 3hr0 s THR 695 Ca 0.45 -0.78 0.10 0.00 0.31 0.00 0.00 61.69 61.78 3hr0 s THR 695 Cb -0.10 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 3hr0 s THR 695 CO 0.36 0.53 -0.25 -0.36 -0.69 0.00 0.00 174.62 174.21 3hr0 s PHE 696 N 0.44 2.16 0.14 4.92 0.40 0.05 -3.43 117.98 122.66 3hr0 s PHE 696 Ca -0.12 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.82 3hr0 s PHE 696 Cb -0.16 -1.19 0.00 0.00 0.51 0.00 0.00 43.02 42.18 3hr0 s PHE 696 CO 0.05 0.26 0.03 0.27 0.70 0.00 0.00 175.22 176.54 3hr0 n ASN 697 N 1.14 2.12 -0.14 1.36 6.94 -0.68 -0.75 115.26 125.25 3hr0 n ASN 697 Ca -0.18 -1.59 -0.08 0.00 -0.02 0.00 0.00 54.58 52.71 3hr0 n ASN 697 Cb 0.53 0.07 0.00 0.00 -2.36 0.00 0.00 39.78 38.02 3hr0 n ASN 697 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 3hr0 h ARG 698 N 0.00 0.59 -0.15 -3.83 9.65 -1.88 -0.16 114.38 118.60 3hr0 h ARG 698 Ca -0.11 -0.06 -0.15 0.00 -1.10 0.00 0.00 59.98 58.55 3hr0 h ARG 698 Cb 0.35 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.81 3hr0 h ARG 698 CO 0.18 0.46 -0.56 1.25 2.80 0.00 0.00 179.97 184.10 3hr0 h LEU 699 N 0.56 0.51 -1.07 3.80 5.85 -1.90 -1.86 115.31 121.20 3hr0 h LEU 699 Ca 0.15 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 3hr0 h LEU 699 Cb 0.03 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 3hr0 h LEU 699 CO -0.03 0.96 0.42 1.23 -0.34 0.00 0.00 178.44 180.68 3hr0 h GLY 700 N 1.18 1.14 0.87 3.75 0.00 -1.55 -0.66 103.07 107.80 3hr0 h GLY 700 Ca 0.00 -0.51 0.03 0.00 0.00 0.00 0.00 47.33 46.86 3hr0 h GLY 700 CO 0.10 0.49 0.40 -1.33 0.00 0.00 0.00 176.54 176.20 3hr0 h GLY 701 N 1.11 0.94 0.99 4.60 0.00 -0.61 0.01 103.07 110.11 3hr0 h GLY 701 Ca 0.27 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 3hr0 h GLY 701 CO -0.04 0.26 0.33 -2.00 0.00 0.00 0.00 176.54 175.08 3hr0 h LEU 702 N 0.79 0.66 -0.39 3.11 5.85 -0.75 -0.56 115.31 124.02 3hr0 h LEU 702 Ca 0.26 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.97 3hr0 h LEU 702 Cb 0.02 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 3hr0 h LEU 702 CO -0.11 0.52 0.16 -0.61 -0.34 0.00 0.00 178.44 178.06 3hr0 h GLN 703 N 0.74 0.32 -0.76 1.25 5.75 -0.84 -2.28 115.11 119.29 3hr0 h GLN 703 Ca 0.20 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.66 3hr0 h GLN 703 Cb -0.02 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.42 3hr0 h GLN 703 CO -0.04 0.21 0.42 0.35 -2.65 0.00 0.00 178.83 177.12 3hr0 h PHE 704 N 0.33 1.04 -0.52 3.99 3.57 -0.52 -1.14 116.94 123.68 3hr0 h PHE 704 Ca 0.17 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.69 3hr0 h PHE 704 Cb 0.13 -0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.49 3hr0 h PHE 704 CO -0.13 0.73 0.27 0.22 -2.23 0.00 0.00 178.31 177.17 3hr0 h ASP 705 N 1.05 0.40 -0.51 0.41 3.58 -0.82 0.22 116.42 120.75 3hr0 h ASP 705 Ca 0.27 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.74 3hr0 h ASP 705 Cb 0.03 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 3hr0 h ASP 705 CO -0.04 0.27 0.29 0.11 -2.88 0.00 0.00 179.24 176.99 3hr0 h LYS 706 N 0.53 0.70 0.03 0.28 1.57 -0.99 -1.24 116.57 117.45 3hr0 h LYS 706 Ca 0.23 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3hr0 h LYS 706 Cb 0.12 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3hr0 h LYS 706 CO -0.15 0.53 -0.02 0.93 -0.57 0.00 0.00 179.45 180.17 3hr0 h GLU 707 N 0.68 -0.04 -0.25 3.15 5.08 -0.73 -1.08 114.58 121.37 3hr0 h GLU 707 Ca 0.18 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3hr0 h GLU 707 Cb 0.02 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3hr0 h GLU 707 CO -0.03 0.07 0.13 1.25 -1.00 0.00 0.00 179.01 179.43 3hr0 h LEU 708 N -0.14 0.21 -0.97 1.33 5.85 -0.55 -0.49 115.31 120.54 3hr0 h LEU 708 Ca -0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3hr0 h LEU 708 Cb 0.13 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 3hr0 h LEU 708 CO 0.01 0.15 0.43 0.03 -0.34 0.00 0.00 178.44 178.72 3hr0 h ARG 709 N 0.28 1.15 -0.45 1.25 3.08 -1.18 -0.15 114.38 118.37 3hr0 h ARG 709 Ca 0.10 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3hr0 h ARG 709 Cb 0.02 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 3hr0 h ARG 709 CO -0.06 0.86 0.28 0.77 -1.07 0.00 0.00 179.97 180.75 3hr0 h SER 710 N 1.15 0.52 -0.31 7.04 0.02 -0.86 -0.81 113.55 120.31 3hr0 h SER 710 Ca 0.29 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 3hr0 h SER 710 Cb 0.06 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3hr0 h SER 710 CO -0.04 0.40 0.13 0.25 -1.14 0.00 0.00 176.83 176.43 3hr0 h LEU 711 N 0.60 0.42 -0.55 5.07 5.85 -0.70 -1.83 115.31 124.17 3hr0 h LEU 711 Ca 0.16 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 3hr0 h LEU 711 Cb -0.04 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3hr0 h LEU 711 CO -0.03 0.46 0.26 0.40 -0.34 0.00 0.00 178.44 179.18 3hr0 h ILE 712 N 0.36 1.20 -0.31 4.05 2.04 -0.96 -1.19 117.51 122.69 3hr0 h ILE 712 Ca 0.10 -0.58 0.06 0.00 1.00 0.00 0.00 64.86 65.45 3hr0 h ILE 712 Cb 0.16 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 3hr0 h ILE 712 CO -0.01 0.23 -0.08 0.00 0.00 0.00 0.00 178.15 178.29 3hr0 h ALA 713 N 1.10 0.20 0.08 1.87 0.00 -1.03 -0.39 119.26 121.09 3hr0 h ALA 713 Ca 0.19 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3hr0 h ALA 713 Cb 0.13 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hr0 h ALA 713 CO -0.02 -0.47 -0.04 -0.92 0.00 0.00 0.00 179.25 177.80 3hr0 h TYR 714 N -0.01 -0.10 0.00 0.00 3.20 -1.07 -2.78 116.97 116.21 3hr0 h TYR 714 Ca 0.15 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.99 3hr0 h TYR 714 Cb 0.24 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 3hr0 h TYR 714 CO -0.30 -0.03 -0.13 -0.07 -1.64 0.00 0.00 178.16 175.99 3hr0 h LEU 715 N -0.14 0.00 -0.87 2.82 3.38 -1.01 -0.24 115.31 119.24 3hr0 h LEU 715 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3hr0 h LEU 715 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3hr0 h LEU 715 CO 0.02 0.13 -0.28 0.74 0.09 0.00 0.00 178.44 179.14 3hr0 h THR 716 N 0.00 1.27 0.00 0.22 2.02 -0.85 -3.12 112.91 112.45 3hr0 h THR 716 Ca -0.00 -1.34 -0.02 0.00 0.77 0.00 0.00 66.41 65.83 3hr0 h THR 716 Cb 0.33 1.39 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 3hr0 h THR 716 CO 0.02 0.42 -0.08 0.71 0.37 0.00 0.00 175.52 176.96 3hr0 h THR 717 N 0.44 0.26 -0.02 3.16 1.35 -0.77 -3.13 112.91 114.20 3hr0 h THR 717 Ca 0.06 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3hr0 h THR 717 Cb 0.72 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 3hr0 h THR 717 CO 0.06 0.08 -0.04 1.33 -0.25 0.00 0.00 175.52 176.69 3hr0 n VAL 718 N -3.27 0.00 -4.17 6.82 0.24 -1.18 -4.93 118.33 111.85 3hr0 n VAL 718 Ca -0.00 -0.28 -0.10 0.00 -2.04 0.00 0.00 64.34 61.91 3hr0 n VAL 718 Cb 0.31 0.70 -0.10 0.00 -1.47 0.00 0.00 33.84 33.27 3hr0 n VAL 718 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 3hr0 s THR 719 N -2.07 0.34 -0.97 3.34 -1.32 -1.18 -5.02 115.64 108.75 3hr0 s THR 719 Ca 0.34 -1.92 0.25 0.00 -1.21 0.00 0.00 61.69 59.16 3hr0 s THR 719 Cb 0.21 -1.95 0.03 0.00 -1.51 0.00 0.00 72.50 69.27 3hr0 s THR 719 CO 0.36 -0.59 1.45 0.35 -2.21 0.00 0.00 174.62 173.97 3hr0 n THR 720 N -0.10 0.03 -2.83 5.08 -2.24 -1.26 -4.94 114.28 108.01 3hr0 n THR 720 Ca -0.08 -0.02 -0.30 0.00 -2.27 0.00 0.00 64.05 61.38 3hr0 n THR 720 Cb 0.63 0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.99 3hr0 n THR 720 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 3hr0 s TRP 721 N -3.01 3.48 0.11 4.78 0.51 -1.26 -5.05 118.94 118.49 3hr0 s TRP 721 Ca 0.11 1.03 -0.30 0.00 -2.12 0.00 0.00 56.10 54.82 3hr0 s TRP 721 Cb 0.17 -2.43 -0.06 0.00 -0.81 0.00 0.00 33.47 30.34 3hr0 s TRP 721 CO 0.69 -0.13 0.96 -0.08 -0.51 0.00 0.00 176.95 177.89 3hr0 s THR 722 N -2.41 4.50 -0.90 2.01 -1.32 -1.26 -4.94 115.64 111.33 3hr0 s THR 722 Ca 0.51 2.07 0.13 0.00 -1.21 0.00 0.00 61.69 63.19 3hr0 s THR 722 Cb -0.10 -4.32 0.40 0.00 -1.51 0.00 0.00 72.50 66.96 3hr0 s THR 722 CO 0.33 0.32 1.33 2.30 -2.21 0.00 0.00 174.62 176.68 3hr0 n ILE 723 N 2.79 1.27 -0.19 5.08 -5.35 -1.26 -4.70 119.36 117.00 3hr0 n ILE 723 Ca 0.02 -1.16 -0.03 0.00 -0.27 0.00 0.00 62.75 61.32 3hr0 n ILE 723 Cb 0.49 0.35 0.07 0.00 -1.74 0.00 0.00 39.64 38.81 3hr0 n ILE 723 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3hr0 h ARG 724 N 2.30 0.50 -0.82 6.28 2.43 -1.97 -1.97 114.38 121.14 3hr0 h ARG 724 Ca 0.00 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3hr0 h ARG 724 Cb 0.92 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.32 3hr0 h ARG 724 CO 0.05 0.33 0.44 0.22 -1.51 0.00 0.00 179.97 179.50 3hr0 h ASP 725 N 0.52 1.04 -0.20 -3.80 3.58 -2.00 -0.74 116.42 114.81 3hr0 h ASP 725 Ca 0.26 -0.11 -0.04 0.00 0.42 0.00 0.00 57.03 57.56 3hr0 h ASP 725 Cb 0.20 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 3hr0 h ASP 725 CO -0.19 0.85 0.00 0.11 -2.88 0.00 0.00 179.24 177.13 3hr0 h LYS 726 N 1.15 0.47 -0.40 0.28 1.57 -1.75 -2.74 116.57 115.15 3hr0 h LYS 726 Ca 0.29 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3hr0 h LYS 726 Cb 0.05 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3hr0 h LYS 726 CO -0.04 0.50 0.00 1.19 -0.57 0.00 0.00 179.45 180.52 3hr0 n PHE 727 N -4.30 0.52 -0.29 -1.35 3.01 -0.80 -4.56 117.46 109.70 3hr0 n PHE 727 Ca 0.01 -0.26 -0.05 0.00 1.01 0.00 0.00 57.45 58.17 3hr0 n PHE 727 Cb 0.23 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.77 3hr0 n PHE 727 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hr0 h ALA 728 N 4.38 1.00 -0.28 4.37 0.00 -0.82 -0.32 119.26 127.60 3hr0 h ALA 728 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3hr0 h ALA 728 Cb 0.88 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3hr0 h ALA 728 CO 0.00 0.47 0.14 0.00 0.00 0.00 0.00 179.25 179.86 3hr0 h ARG 729 N 1.08 0.40 -0.65 0.00 3.08 -1.80 -1.42 114.38 115.06 3hr0 h ARG 729 Ca 0.28 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.23 3hr0 h ARG 729 Cb -0.04 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 3hr0 h ARG 729 CO -0.05 0.38 0.23 -0.07 -1.07 0.00 0.00 179.97 179.38 3hr0 h LEU 730 N 0.32 0.91 -0.83 3.04 3.38 -1.79 -0.11 115.31 120.22 3hr0 h LEU 730 Ca 0.10 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 3hr0 h LEU 730 Cb 0.11 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3hr0 h LEU 730 CO -0.01 0.83 0.04 0.28 0.09 0.00 0.00 178.44 179.66 3hr0 h SER 731 N 0.95 0.88 -0.24 -0.43 0.02 -0.83 0.39 113.55 114.30 3hr0 h SER 731 Ca 0.22 -0.21 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 3hr0 h SER 731 Cb 0.23 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3hr0 h SER 731 CO -0.01 0.92 -0.37 1.56 -1.14 0.00 0.00 176.83 177.78 3hr0 h GLN 732 N 0.85 0.77 -0.76 3.45 4.20 -0.93 -1.82 115.11 120.88 3hr0 h GLN 732 Ca 0.17 -0.39 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 3hr0 h GLN 732 Cb 0.46 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.20 3hr0 h GLN 732 CO 0.02 1.02 0.40 0.52 -0.67 0.00 0.00 178.83 180.12 3hr0 h MET 733 N 0.64 1.06 -0.95 1.46 2.86 -0.67 -2.27 114.93 117.06 3hr0 h MET 733 Ca 0.06 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3hr0 h MET 733 Cb 0.92 -0.20 -0.05 0.00 0.06 0.00 0.00 31.60 32.33 3hr0 h MET 733 CO 0.08 0.80 0.61 0.00 1.06 0.00 0.00 176.91 179.46 3hr0 h ALA 734 N 1.21 1.20 -0.18 6.32 0.00 -0.70 -0.45 119.26 126.66 3hr0 h ALA 734 Ca 0.26 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3hr0 h ALA 734 Cb 0.05 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 17.41 3hr0 h ALA 734 CO -0.04 0.61 -0.12 1.15 0.00 0.00 0.00 179.25 180.85 3hr0 h THR 735 N 1.29 0.65 -0.48 0.00 2.02 -1.03 -1.81 112.91 113.55 3hr0 h THR 735 Ca 0.34 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.53 3hr0 h THR 735 Cb -0.12 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 3hr0 h THR 735 CO -0.07 0.00 0.31 0.40 0.37 0.00 0.00 175.52 176.53 3hr0 h ILE 736 N -0.12 1.10 0.00 3.11 2.04 -0.94 -2.50 117.51 120.20 3hr0 h ILE 736 Ca 0.11 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3hr0 h ILE 736 Cb 0.28 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3hr0 h ILE 736 CO -0.25 0.11 0.00 0.18 0.00 0.00 0.00 178.15 178.19 3hr0 n LEU 737 N -4.77 0.25 -0.96 1.44 4.77 -0.22 -2.31 117.00 115.19 3hr0 n LEU 737 Ca 0.02 0.57 0.10 0.00 -0.03 0.00 0.00 56.01 56.67 3hr0 n LEU 737 Cb 0.03 -0.54 0.17 0.00 -2.33 0.00 0.00 43.42 40.76 3hr0 n LEU 737 CO 0.34 -0.40 0.64 0.59 -1.33 0.00 0.00 177.39 177.24 3hr0 n ASN 738 N -1.78 3.13 -4.76 -1.43 3.02 -0.70 -4.25 115.26 108.49 3hr0 n ASN 738 Ca 0.03 -1.91 -0.39 0.00 -0.03 0.00 0.00 54.58 52.28 3hr0 n ASN 738 Cb 0.18 -0.20 0.02 0.00 -0.61 0.00 0.00 39.78 39.17 3hr0 n ASN 738 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hr0 s LEU 739 N -1.34 3.98 0.24 3.41 1.43 -0.98 -4.94 118.68 120.48 3hr0 s LEU 739 Ca 0.32 2.71 0.10 0.00 -1.03 0.00 0.00 54.13 56.22 3hr0 s LEU 739 Cb 0.19 -4.14 0.22 0.00 0.03 0.00 0.00 46.19 42.49 3hr0 s LEU 739 CO 0.26 -1.28 1.53 -0.33 0.23 0.00 0.00 176.35 176.77 3hr0 h GLU 740 N 1.91 0.00 -2.85 1.70 4.39 -1.94 -3.47 114.58 114.32 3hr0 h GLU 740 Ca -0.50 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.15 3hr0 h GLU 740 Cb 1.28 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.78 3hr0 h GLU 740 CO 0.59 0.71 0.07 -0.98 -1.16 0.00 0.00 179.01 178.24 3hr0 s ARG 741 N -3.39 1.09 0.22 2.33 1.70 -1.26 -5.07 118.95 114.58 3hr0 s ARG 741 Ca -0.01 -0.31 -0.09 0.00 -0.47 0.00 0.00 55.73 54.85 3hr0 s ARG 741 Cb 0.12 0.50 0.34 0.00 -0.57 0.00 0.00 34.95 35.33 3hr0 s ARG 741 CO 0.77 -0.42 1.68 0.28 -1.08 0.00 0.00 175.30 176.54 3hr0 h VAL 742 N 2.58 0.52 0.00 4.99 2.07 -1.95 -1.59 116.25 122.88 3hr0 h VAL 742 Ca -0.32 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3hr0 h VAL 742 Cb 1.23 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3hr0 h VAL 742 CO 0.41 0.03 0.00 0.71 0.02 0.00 0.00 177.57 178.74 3hr0 h THR 743 N 0.18 0.00 0.00 2.57 1.35 -1.97 -2.56 112.91 112.48 3hr0 h THR 743 Ca 0.34 -0.33 -0.00 0.00 -0.55 0.00 0.00 66.41 65.87 3hr0 h THR 743 Cb 0.56 1.17 -0.00 0.00 -1.73 0.00 0.00 68.15 68.15 3hr0 h THR 743 CO -0.50 0.00 -0.01 -0.08 -0.25 0.00 0.00 175.52 174.68 3hr0 h GLU 744 N 0.00 0.00 -0.50 4.72 4.81 -1.71 -1.44 114.58 120.47 3hr0 h GLU 744 Ca 0.00 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.32 3hr0 h GLU 744 Cb 0.41 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 3hr0 h GLU 744 CO 0.00 0.01 0.34 0.97 -0.73 0.00 0.00 179.01 179.60 3hr0 h ILE 745 N 0.00 0.88 0.00 2.32 6.09 -1.63 -1.63 117.51 123.54 3hr0 h ILE 745 Ca -0.00 -0.09 -0.01 0.00 -1.37 0.00 0.00 64.86 63.39 3hr0 h ILE 745 Cb 0.05 0.59 -0.00 0.00 0.47 0.00 0.00 36.82 37.93 3hr0 h ILE 745 CO 0.00 0.05 -0.04 -0.07 -3.07 0.00 0.00 178.15 175.02 3hr0 h LEU 746 N 0.27 0.00 -1.09 2.19 3.38 -1.50 -0.27 115.31 118.28 3hr0 h LEU 746 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3hr0 h LEU 746 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3hr0 h LEU 746 CO -0.05 0.04 0.00 0.44 0.09 0.00 0.00 178.44 178.96 3hr0 h ASP 747 N 0.00 0.00 0.00 -0.43 5.19 -1.47 -3.16 116.42 116.55 3hr0 h ASP 747 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3hr0 h ASP 747 Cb 0.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.76 3hr0 h ASP 747 CO 0.01 0.00 0.00 -1.22 -3.12 0.00 0.00 179.24 174.91 3hr0 n TYR 748 N -2.55 0.00 -4.58 4.55 4.02 -0.15 -4.72 117.16 113.73 3hr0 n TYR 748 Ca 0.01 -0.22 -0.29 0.00 -0.01 0.00 0.00 57.90 57.40 3hr0 n TYR 748 Cb 0.23 -0.02 -0.14 0.00 -0.02 0.00 0.00 39.34 39.40 3hr0 n TYR 748 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 176.86 175.39 3hr0 s TRP 749 N -0.43 2.22 0.00 -0.72 -0.11 -0.98 -3.85 118.94 115.07 3hr0 s TRP 749 Ca 0.00 -0.39 0.00 0.00 1.22 0.00 0.00 56.10 56.93 3hr0 s TRP 749 Cb 0.00 -1.26 0.00 0.00 -1.50 0.00 0.00 33.47 30.71 3hr0 s TRP 749 CO 0.00 0.23 0.00 0.41 -4.62 0.00 0.00 176.95 172.97 3hr0 n GLY 750 N 1.30 3.01 0.34 5.86 0.00 -1.26 -2.41 105.19 112.03 3hr0 n GLY 750 Ca -0.18 -0.20 0.05 0.00 0.00 0.00 0.00 46.02 45.69 3hr0 n GLY 750 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hr0 h PRO 751 N 0.00 0.71 -0.04 1.61 0.11 -1.96 -1.76 132.00 130.66 3hr0 h PRO 751 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3hr0 h PRO 751 Cb 0.00 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 30.95 3hr0 h PRO 751 CO 0.00 0.47 0.00 0.09 -0.21 0.00 0.00 178.00 178.35 3hr0 n ASN 752 N -4.46 0.56 -0.34 -2.05 3.02 -1.01 -3.99 115.26 106.98 3hr0 n ASN 752 Ca 0.08 -1.41 0.08 0.00 -0.03 0.00 0.00 54.58 53.30 3hr0 n ASN 752 Cb 0.14 -0.02 0.25 0.00 -0.61 0.00 0.00 39.78 39.54 3hr0 n ASN 752 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 3hr0 h SER 753 N 0.78 0.81 0.00 6.41 0.87 -1.36 -3.38 113.55 117.68 3hr0 h SER 753 Ca 0.00 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3hr0 h SER 753 Cb 0.17 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3hr0 h SER 753 CO 0.00 0.38 0.00 0.61 -0.53 0.00 0.00 176.83 177.29 3hr0 n GLY 754 N -1.34 3.73 0.40 5.77 0.00 -1.26 -2.77 105.19 109.73 3hr0 n GLY 754 Ca 0.19 0.22 -0.15 0.00 0.00 0.00 0.00 46.02 46.28 3hr0 n GLY 754 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hr0 h PRO 755 N 0.00 -0.94 -6.40 1.61 0.11 -1.98 -3.46 132.00 120.95 3hr0 h PRO 755 Ca 0.00 0.06 -0.59 0.00 0.11 0.00 0.00 66.00 65.58 3hr0 h PRO 755 Cb 0.00 0.21 0.04 0.00 0.11 0.00 0.00 31.00 31.36 3hr0 h PRO 755 CO 0.00 -0.63 0.97 -0.11 -0.21 0.00 0.00 178.00 178.03 3hr0 n LEU 756 N -5.39 3.37 -4.42 2.35 7.94 -1.11 -4.97 117.00 114.77 3hr0 n LEU 756 Ca -0.12 1.02 -0.44 0.00 -1.11 0.00 0.00 56.01 55.36 3hr0 n LEU 756 Cb 0.38 -1.42 -0.08 0.00 0.53 0.00 0.00 43.42 42.84 3hr0 n LEU 756 CO 0.29 -0.13 0.11 -0.89 -1.11 0.00 0.00 177.39 175.67 3hr0 s THR 757 N 2.59 5.13 0.14 1.96 2.01 -1.26 -4.88 115.64 121.32 3hr0 s THR 757 Ca 0.86 -0.79 -0.31 0.00 0.31 0.00 0.00 61.69 61.75 3hr0 s THR 757 Cb -0.66 -4.14 -0.09 0.00 0.01 0.00 0.00 72.50 67.62 3hr0 s THR 757 CO 0.44 -0.60 1.50 0.26 -0.69 0.00 0.00 174.62 175.53 3hr0 s TRP 758 N 1.96 3.11 -1.65 4.92 0.52 -1.26 -4.89 118.94 121.65 3hr0 s TRP 758 Ca 0.08 0.74 0.25 0.00 0.02 0.00 0.00 56.10 57.20 3hr0 s TRP 758 Cb -0.22 -3.83 0.54 0.00 -1.15 0.00 0.00 33.47 28.81 3hr0 s TRP 758 CO 0.09 -3.02 1.43 0.54 0.02 0.00 0.00 176.95 176.01 3hr0 n ARG 759 N 4.04 0.73 -3.91 4.98 1.74 -1.26 -4.92 116.66 118.07 3hr0 n ARG 759 Ca 0.13 -0.48 -0.37 0.00 -0.77 0.00 0.00 57.85 56.36 3hr0 n ARG 759 Cb 0.40 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.29 3hr0 n ARG 759 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hr0 s LEU 760 N -2.60 4.32 0.70 0.55 1.43 -1.26 -5.04 118.68 116.78 3hr0 s LEU 760 Ca 0.20 0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 53.62 3hr0 s LEU 760 Cb 0.19 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.37 3hr0 s LEU 760 CO 0.57 0.39 1.07 0.42 0.23 0.00 0.00 176.35 179.04 3hr0 s THR 761 N -0.94 3.84 0.30 5.49 -4.23 -1.26 -4.80 115.64 114.04 3hr0 s THR 761 Ca 0.14 0.63 0.05 0.00 -1.18 0.00 0.00 61.69 61.33 3hr0 s THR 761 Cb -0.12 -3.29 0.29 0.00 1.34 0.00 0.00 72.50 70.72 3hr0 s THR 761 CO 0.04 -0.75 1.77 -0.65 -0.54 0.00 0.00 174.62 174.49 3hr0 h PRO 762 N -0.68 0.72 -0.75 3.99 0.11 -1.99 0.12 132.00 133.52 3hr0 h PRO 762 Ca -0.44 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.64 3hr0 h PRO 762 Cb 1.22 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 3hr0 h PRO 762 CO 0.56 0.48 0.49 0.00 -0.21 0.00 0.00 178.00 179.31 3hr0 h ALA 763 N 1.63 0.97 -0.46 -0.75 0.00 -2.00 -1.07 119.26 117.59 3hr0 h ALA 763 Ca 0.56 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.32 3hr0 h ALA 763 Cb 0.86 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3hr0 h ALA 763 CO -0.38 0.33 -0.15 0.93 0.00 0.00 0.00 179.25 179.98 3hr0 h GLU 764 N 0.98 0.91 -0.78 0.00 5.08 -1.45 -1.20 114.58 118.12 3hr0 h GLU 764 Ca 0.29 -0.37 0.07 0.00 -1.00 0.00 0.00 59.36 58.35 3hr0 h GLU 764 Cb -0.07 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 3hr0 h GLU 764 CO -0.08 1.02 0.46 0.28 -1.00 0.00 0.00 179.01 179.69 3hr0 h VAL 765 N 0.75 0.99 -0.39 3.13 2.07 -0.47 -1.30 116.25 121.03 3hr0 h VAL 765 Ca 0.11 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.25 3hr0 h VAL 765 Cb 0.71 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3hr0 h VAL 765 CO 0.05 0.15 -0.17 0.03 0.02 0.00 0.00 177.57 177.66 3hr0 h ARG 766 N 0.83 0.72 -0.85 1.57 3.08 -0.93 -1.09 114.38 117.71 3hr0 h ARG 766 Ca 0.35 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3hr0 h ARG 766 Cb 0.21 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 3hr0 h ARG 766 CO -0.19 0.84 0.47 0.37 -1.07 0.00 0.00 179.97 180.39 3hr0 h GLN 767 N 0.64 1.18 -0.00 0.04 4.15 -0.69 -1.73 115.11 118.69 3hr0 h GLN 767 Ca 0.10 -0.13 -0.16 0.00 0.77 0.00 0.00 58.65 59.23 3hr0 h GLN 767 Cb 0.64 -0.23 0.01 0.00 0.21 0.00 0.00 27.48 28.11 3hr0 h GLN 767 CO 0.05 0.86 -0.63 0.28 -1.93 0.00 0.00 178.83 177.45 3hr0 h VAL 768 N 1.18 1.41 -1.01 2.39 2.07 -0.95 -3.11 116.25 118.25 3hr0 h VAL 768 Ca 0.30 -2.09 0.16 0.00 0.82 0.00 0.00 66.70 65.89 3hr0 h VAL 768 Cb 0.02 2.57 -0.10 0.00 -1.52 0.00 0.00 31.29 32.27 3hr0 h VAL 768 CO -0.05 0.61 0.62 -0.07 0.02 0.00 0.00 177.57 178.70 3hr0 h LEU 769 N -0.06 0.84 -2.40 2.57 3.38 -1.16 -0.78 115.31 117.70 3hr0 h LEU 769 Ca -0.08 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hr0 h LEU 769 Cb 1.34 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3hr0 h LEU 769 CO 0.13 0.36 0.00 0.00 0.09 0.00 0.00 178.44 179.02 3hr0 h ALA 770 N 1.60 1.00 0.00 1.53 0.00 -1.24 -2.15 119.26 120.00 3hr0 h ALA 770 Ca 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.44 3hr0 h ALA 770 Cb 0.74 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3hr0 h ALA 770 CO -0.34 0.00 -0.08 -0.07 0.00 0.00 0.00 179.25 178.76 3hr0 h LEU 771 N 0.00 0.00 -8.81 0.00 3.38 -1.13 -3.40 115.31 105.35 3hr0 h LEU 771 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3hr0 h LEU 771 Cb 0.18 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 3hr0 h LEU 771 CO 0.00 0.08 0.97 -0.13 0.09 0.00 0.00 178.44 179.45 3hr0 s ARG 772 N -3.72 3.76 0.60 1.13 1.81 -0.81 -0.77 118.95 120.95 3hr0 s ARG 772 Ca 0.00 0.85 0.36 0.00 -1.72 0.00 0.00 55.73 55.23 3hr0 s ARG 772 Cb 0.10 -3.91 1.91 0.00 -0.45 0.00 0.00 34.95 32.59 3hr0 s ARG 772 CO 0.57 -1.33 2.22 0.97 -0.68 0.00 0.00 175.30 177.05 3hr0 h ILE 773 N 6.19 0.24 -0.01 1.52 2.10 -1.16 -1.69 117.51 124.70 3hr0 h ILE 773 Ca -0.24 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.48 3hr0 h ILE 773 Cb 1.08 1.17 0.00 0.00 -1.09 0.00 0.00 36.82 37.98 3hr0 h ILE 773 CO 1.09 0.03 -0.04 -0.90 -1.08 0.00 0.00 178.15 177.25 3hr0 n ASP 774 N -3.36 1.47 -4.56 2.19 5.75 -1.26 -4.81 116.55 111.96 3hr0 n ASP 774 Ca -0.02 -1.42 -0.38 0.00 -0.01 0.00 0.00 54.79 52.95 3hr0 n ASP 774 Cb 0.15 0.02 -0.11 0.00 -1.03 0.00 0.00 41.12 40.15 3hr0 n ASP 774 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3hr0 s PHE 775 N -2.08 3.21 0.02 2.11 0.40 -0.64 -5.01 117.98 116.00 3hr0 s PHE 775 Ca 0.36 -0.01 -0.30 0.00 -0.60 0.00 0.00 56.93 56.37 3hr0 s PHE 775 Cb 0.21 -2.39 -0.06 0.00 0.51 0.00 0.00 43.02 41.29 3hr0 s PHE 775 CO 0.36 -0.23 1.32 0.50 0.70 0.00 0.00 175.22 177.88 3hr0 s ARG 776 N 1.74 4.33 0.23 0.44 3.52 -1.26 -4.88 118.95 123.07 3hr0 s ARG 776 Ca 0.07 1.89 -0.11 0.00 -0.13 0.00 0.00 55.73 57.45 3hr0 s ARG 776 Cb -0.16 -3.47 0.34 0.00 -1.56 0.00 0.00 34.95 30.09 3hr0 s ARG 776 CO 0.10 -0.47 1.62 1.03 -0.81 0.00 0.00 175.30 176.77 3hr0 h SER 777 N 7.40 -0.59 -0.97 -2.12 0.87 -1.96 -1.18 113.55 115.00 3hr0 h SER 777 Ca -0.39 0.21 0.04 0.00 -1.23 0.00 0.00 61.79 60.43 3hr0 h SER 777 Cb 1.19 0.42 -0.06 0.00 -0.44 0.00 0.00 62.40 63.51 3hr0 h SER 777 CO 0.87 -0.23 0.63 -0.33 -0.53 0.00 0.00 176.83 177.25 3hr0 h GLU 778 N 0.03 1.16 -0.36 2.24 3.07 -2.00 -0.81 114.58 117.92 3hr0 h GLU 778 Ca 0.37 -0.07 -0.14 0.00 -0.50 0.00 0.00 59.36 59.01 3hr0 h GLU 778 Cb 0.59 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 3hr0 h GLU 778 CO -0.73 0.77 -0.34 -0.44 -1.40 0.00 0.00 179.01 176.87 3hr0 h ASP 779 N 1.20 0.92 -0.61 1.42 3.32 -1.65 -2.40 116.42 118.62 3hr0 h ASP 779 Ca 0.39 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 3hr0 h ASP 779 Cb 0.05 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 3hr0 h ASP 779 CO -0.14 1.19 0.31 0.40 -1.72 0.00 0.00 179.24 179.29 3hr0 h ILE 780 N 0.66 1.21 -0.18 0.35 2.04 -0.73 -2.59 117.51 118.26 3hr0 h ILE 780 Ca 0.06 -0.55 -0.07 0.00 1.00 0.00 0.00 64.86 65.29 3hr0 h ILE 780 Cb 0.92 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 3hr0 h ILE 780 CO 0.09 0.23 -0.22 0.50 0.00 0.00 0.00 178.15 178.75 3hr0 h LYS 781 N 0.83 0.32 -0.01 2.37 3.64 -1.03 -2.89 116.57 119.81 3hr0 h LYS 781 Ca 0.21 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3hr0 h LYS 781 Cb 0.08 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3hr0 h LYS 781 CO -0.03 0.53 -0.19 0.54 -2.27 0.00 0.00 179.45 178.03 3hr0 n ARG 782 N -4.17 0.76 -1.90 1.90 1.74 -0.92 -4.90 116.66 109.18 3hr0 n ARG 782 Ca -0.01 -0.37 -0.42 0.00 -0.77 0.00 0.00 57.85 56.29 3hr0 n ARG 782 Cb 0.35 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.28 3hr0 n ARG 782 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3hr0 s LEU 783 N -2.50 4.37 -0.80 0.55 2.96 -0.99 -4.93 118.68 117.34 3hr0 s LEU 783 Ca 0.26 2.76 -0.21 0.00 -0.22 0.00 0.00 54.13 56.72 3hr0 s LEU 783 Cb 0.20 -3.62 0.09 0.00 0.50 0.00 0.00 46.19 43.36 3hr0 s LEU 783 CO 0.50 -0.82 1.09 -0.13 -1.32 0.00 0.00 176.35 175.67 3hr0 s ARG 784 N 0.08 3.35 0.00 1.98 0.52 -1.26 -5.07 118.95 118.55 3hr0 s ARG 784 Ca 0.64 -1.18 0.12 0.00 -0.52 0.00 0.00 55.73 54.79 3hr0 s ARG 784 Cb -0.45 -4.61 0.10 0.00 0.52 0.00 0.00 34.95 30.51 3hr0 s ARG 784 CO 0.41 -1.86 0.89 1.28 0.02 0.00 0.00 175.30 176.04