#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hr0 h THR 537 N 0.00 1.34 -0.85 2.46 1.35 -2.04 0.83 112.91 115.99 3hr0 h THR 537 Ca 0.00 -1.72 -0.02 0.00 -0.55 0.00 0.00 66.41 64.12 3hr0 h THR 537 Cb 0.00 1.78 -0.04 0.00 -1.73 0.00 0.00 68.15 68.16 3hr0 h THR 537 CO 0.00 0.52 0.47 -0.78 -0.25 0.00 0.00 175.52 175.48 3hr0 h ASP 538 N 0.26 1.06 0.31 5.36 3.58 -1.99 -1.03 116.42 123.97 3hr0 h ASP 538 Ca 0.01 -0.10 -0.18 0.00 0.42 0.00 0.00 57.03 57.19 3hr0 h ASP 538 Cb 0.96 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.74 3hr0 h ASP 538 CO 0.08 0.85 -0.71 1.05 -2.88 0.00 0.00 179.24 177.63 3hr0 h GLU 539 N 1.19 0.35 -0.43 0.28 -0.00 -1.89 -1.55 114.58 112.53 3hr0 h GLU 539 Ca 0.30 -0.28 -0.02 0.00 -0.00 0.00 0.00 59.36 59.35 3hr0 h GLU 539 Cb 0.02 0.06 -0.02 0.00 -0.00 0.00 0.00 28.75 28.81 3hr0 h GLU 539 CO -0.05 0.92 0.18 0.00 -0.00 0.00 0.00 179.01 180.06 3hr0 h ALA 540 N 1.00 0.56 -0.17 1.06 0.00 -0.70 0.23 119.26 121.23 3hr0 h ALA 540 Ca -0.03 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3hr0 h ALA 540 Cb 1.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3hr0 h ALA 540 CO 0.12 0.16 0.10 -0.22 0.00 0.00 0.00 179.25 179.41 3hr0 h LYS 541 N 0.55 0.21 -0.14 0.00 3.64 -1.08 -1.26 116.57 118.49 3hr0 h LYS 541 Ca 0.14 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.35 3hr0 h LYS 541 Cb 0.18 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3hr0 h LYS 541 CO -0.01 0.14 -0.59 0.52 -2.27 0.00 0.00 179.45 177.23 3hr0 h MET 542 N 0.21 0.47 -0.34 1.90 2.86 -1.21 -1.94 114.93 116.88 3hr0 h MET 542 Ca 0.07 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.39 3hr0 h MET 542 Cb -0.01 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 3hr0 h MET 542 CO -0.03 0.92 0.21 1.03 1.06 0.00 0.00 176.91 180.11 3hr0 h SER 543 N 0.35 0.41 -0.26 1.22 0.87 -0.83 -0.53 113.55 114.79 3hr0 h SER 543 Ca -0.00 -0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.56 3hr0 h SER 543 Cb 1.13 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 62.94 3hr0 h SER 543 CO 0.11 0.34 -0.07 0.15 -0.53 0.00 0.00 176.83 176.82 3hr0 h PHE 544 N 0.45 -0.15 -0.43 2.24 3.04 -1.08 -0.97 116.94 120.05 3hr0 h PHE 544 Ca 0.12 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.06 3hr0 h PHE 544 Cb -0.00 0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.59 3hr0 h PHE 544 CO -0.04 -0.12 0.12 -0.07 -2.02 0.00 0.00 178.31 176.18 3hr0 h LEU 545 N -0.01 0.64 -0.93 0.59 3.38 -1.16 0.18 115.31 118.01 3hr0 h LEU 545 Ca 0.12 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.79 3hr0 h LEU 545 Cb 0.19 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3hr0 h LEU 545 CO -0.27 0.69 -0.10 0.58 0.09 0.00 0.00 178.44 179.44 3hr0 h VAL 546 N 0.55 1.25 -0.16 1.22 2.07 -1.04 0.80 116.25 120.94 3hr0 h VAL 546 Ca 0.14 -1.09 -0.06 0.00 0.82 0.00 0.00 66.70 66.51 3hr0 h VAL 546 Cb 0.29 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3hr0 h VAL 546 CO -0.00 0.37 -0.13 0.74 0.02 0.00 0.00 177.57 178.57 3hr0 h THR 547 N 0.62 1.33 -0.68 2.57 2.02 -0.95 -1.70 112.91 116.13 3hr0 h THR 547 Ca 0.11 -1.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.03 3hr0 h THR 547 Cb 0.53 1.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.72 3hr0 h THR 547 CO 0.03 0.37 0.38 0.25 0.37 0.00 0.00 175.52 176.92 3hr0 h LEU 548 N 0.01 0.83 -0.95 2.58 5.85 -0.77 -1.26 115.31 121.61 3hr0 h LEU 548 Ca 0.03 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 3hr0 h LEU 548 Cb 0.64 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 3hr0 h LEU 548 CO 0.03 0.67 0.46 -1.13 -0.34 0.00 0.00 178.44 178.13 3hr0 h ASN 549 N 0.94 1.08 -0.70 1.25 -1.24 -0.71 -1.49 115.58 114.71 3hr0 h ASN 549 Ca 0.24 -0.10 -0.03 0.00 0.71 0.00 0.00 56.30 57.12 3hr0 h ASN 549 Cb 0.02 -0.28 -0.03 0.00 0.73 0.00 0.00 38.32 38.76 3hr0 h ASN 549 CO -0.04 0.87 0.33 -1.13 -1.29 0.00 0.00 177.43 176.17 3hr0 h ASN 550 N 1.21 0.94 -0.71 1.15 -1.24 -0.31 -1.57 115.58 115.05 3hr0 h ASN 550 Ca 0.30 -0.12 0.04 0.00 0.71 0.00 0.00 56.30 57.24 3hr0 h ASN 550 Cb 0.04 -0.24 -0.05 0.00 0.73 0.00 0.00 38.32 38.80 3hr0 h ASN 550 CO -0.05 0.81 0.43 0.58 -1.29 0.00 0.00 177.43 177.92 3hr0 h VAL 551 N 1.03 1.05 -0.49 2.57 2.07 -0.69 -0.65 116.25 121.14 3hr0 h VAL 551 Ca 0.25 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3hr0 h VAL 551 Cb 0.14 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 3hr0 h VAL 551 CO -0.03 0.15 0.27 -0.08 0.02 0.00 0.00 177.57 177.90 3hr0 h GLU 552 N 0.82 0.51 -0.18 1.57 4.57 -0.78 -0.12 114.58 120.96 3hr0 h GLU 552 Ca 0.30 -0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.47 3hr0 h GLU 552 Cb 0.10 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 3hr0 h GLU 552 CO -0.14 0.34 0.04 0.28 -1.18 0.00 0.00 179.01 178.35 3hr0 h VAL 553 N 0.53 0.93 -0.56 0.32 2.07 -0.81 -1.26 116.25 117.47 3hr0 h VAL 553 Ca 0.20 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.76 3hr0 h VAL 553 Cb 0.07 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 30.58 3hr0 h VAL 553 CO -0.12 0.02 0.20 0.00 0.02 0.00 0.00 177.57 177.69 3hr0 h SER 555 N 0.37 0.91 -0.88 0.00 4.64 -0.70 -0.65 113.55 117.24 3hr0 h SER 555 Ca 0.27 -0.24 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3hr0 h SER 555 Cb 0.32 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 62.13 3hr0 h SER 555 CO -0.28 0.97 0.54 -0.33 -0.87 0.00 0.00 176.83 176.86 3hr0 h GLU 556 N 0.86 1.19 -0.73 4.77 5.08 -1.04 -1.47 114.58 123.25 3hr0 h GLU 556 Ca 0.16 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 3hr0 h GLU 556 Cb 0.52 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 3hr0 h GLU 556 CO 0.03 0.83 0.21 -0.97 -1.00 0.00 0.00 179.01 178.10 3hr0 h ASN 557 N 1.22 1.09 -0.51 1.42 -0.00 -0.60 -1.55 115.58 116.64 3hr0 h ASN 557 Ca 0.32 -0.22 0.02 0.00 -0.00 0.00 0.00 56.30 56.41 3hr0 h ASN 557 Cb -0.06 -0.29 -0.03 0.00 -0.00 0.00 0.00 38.32 37.94 3hr0 h ASN 557 CO -0.06 1.02 0.32 0.40 -0.00 0.00 0.00 177.43 179.11 3hr0 h ILE 558 N 1.10 1.08 -0.87 2.57 2.04 -0.74 -0.93 117.51 121.76 3hr0 h ILE 558 Ca 0.23 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.88 3hr0 h ILE 558 Cb 0.34 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 3hr0 h ILE 558 CO -0.00 0.12 0.57 0.28 0.00 0.00 0.00 178.15 179.12 3hr0 h SER 559 N 0.64 1.01 -0.18 1.72 0.02 -0.92 0.12 113.55 115.96 3hr0 h SER 559 Ca 0.20 -0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 60.98 3hr0 h SER 559 Cb -0.02 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.26 3hr0 h SER 559 CO -0.07 0.74 -0.37 0.71 -1.14 0.00 0.00 176.83 176.70 3hr0 h THR 560 N 1.19 1.29 -0.42 -2.27 1.35 -0.98 -2.26 112.91 110.80 3hr0 h THR 560 Ca 0.32 -1.53 -0.03 0.00 -0.55 0.00 0.00 66.41 64.62 3hr0 h THR 560 Cb -0.13 1.45 -0.02 0.00 -1.73 0.00 0.00 68.15 67.72 3hr0 h THR 560 CO -0.07 0.50 0.16 -0.07 -0.25 0.00 0.00 175.52 175.79 3hr0 h LEU 561 N 0.59 0.58 -0.89 3.87 3.38 -0.81 -2.04 115.31 119.99 3hr0 h LEU 561 Ca 0.06 -0.17 0.11 0.00 0.09 0.00 0.00 57.88 57.97 3hr0 h LEU 561 Cb 0.90 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.42 3hr0 h LEU 561 CO 0.08 0.60 0.52 0.50 0.09 0.00 0.00 178.44 180.22 3hr0 h LYS 562 N 0.53 0.80 -0.36 1.13 3.64 -0.58 0.14 116.57 121.88 3hr0 h LYS 562 Ca 0.14 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3hr0 h LYS 562 Cb 0.20 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3hr0 h LYS 562 CO -0.01 0.53 0.14 -0.22 -2.27 0.00 0.00 179.45 177.62 3hr0 h LYS 563 N 0.82 0.54 -0.86 1.90 3.64 -1.08 0.63 116.57 122.16 3hr0 h LYS 563 Ca 0.44 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.75 3hr0 h LYS 563 Cb 0.47 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 32.15 3hr0 h LYS 563 CO -0.28 0.53 0.56 1.15 -2.27 0.00 0.00 179.45 179.14 3hr0 h THR 564 N 0.43 1.16 -0.18 1.00 2.02 -0.83 -2.61 112.91 113.90 3hr0 h THR 564 Ca 0.12 -0.38 -0.13 0.00 0.77 0.00 0.00 66.41 66.80 3hr0 h THR 564 Cb 0.19 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.56 3hr0 h THR 564 CO -0.01 0.20 -0.43 -0.07 0.37 0.00 0.00 175.52 175.58 3hr0 h LEU 565 N 1.10 0.46 -0.89 2.58 3.38 -0.59 -0.53 115.31 120.82 3hr0 h LEU 565 Ca 0.33 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3hr0 h LEU 565 Cb -0.03 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3hr0 h LEU 565 CO -0.10 0.84 0.51 -0.33 0.09 0.00 0.00 178.44 179.45 3hr0 h GLU 566 N 0.36 1.23 -0.32 1.13 4.39 -0.66 -0.17 114.58 120.54 3hr0 h GLU 566 Ca 0.03 -0.13 -0.14 0.00 0.34 0.00 0.00 59.36 59.46 3hr0 h GLU 566 Cb 0.90 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 29.30 3hr0 h GLU 566 CO 0.08 0.88 -0.35 0.77 -1.16 0.00 0.00 179.01 179.23 3hr0 h SER 567 N 1.24 0.85 -0.46 1.42 0.02 -1.10 -2.67 113.55 112.86 3hr0 h SER 567 Ca 0.32 -0.48 0.06 0.00 -0.84 0.00 0.00 61.79 60.85 3hr0 h SER 567 Cb -0.01 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.24 3hr0 h SER 567 CO -0.06 1.16 0.16 0.44 -1.14 0.00 0.00 176.83 177.39 3hr0 h ASP 568 N 0.56 0.15 -0.31 3.07 3.32 -0.91 -1.20 116.42 121.10 3hr0 h ASP 568 Ca 0.05 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.17 3hr0 h ASP 568 Cb 0.93 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 3hr0 h ASP 568 CO 0.08 0.12 0.15 0.00 -1.72 0.00 0.00 179.24 177.88 3hr0 h THR 570 N 0.32 0.86 -0.88 0.00 2.02 -1.32 -2.92 112.91 110.99 3hr0 h THR 570 Ca 0.13 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 3hr0 h THR 570 Cb 0.04 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 3hr0 h THR 570 CO -0.09 0.00 0.52 0.50 0.37 0.00 0.00 175.52 176.82 3hr0 h LYS 571 N -0.04 1.20 -0.76 6.66 3.64 -0.79 -2.94 116.57 123.54 3hr0 h LYS 571 Ca 0.05 -0.12 0.07 0.00 -1.27 0.00 0.00 60.65 59.38 3hr0 h LYS 571 Cb 0.11 -0.25 -0.06 0.00 -0.41 0.00 0.00 32.23 31.62 3hr0 h LYS 571 CO -0.11 0.86 0.44 1.25 -2.27 0.00 0.00 179.45 179.62 3hr0 h LEU 572 N 1.22 0.67 -1.70 5.20 5.85 -0.37 -2.46 115.31 123.71 3hr0 h LEU 572 Ca 0.31 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.06 3hr0 h LEU 572 Cb -0.03 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.90 3hr0 h LEU 572 CO -0.06 0.42 0.00 0.49 -0.34 0.00 0.00 178.44 178.95 3hr0 n PHE 573 N -4.72 0.40 0.50 1.25 3.72 -1.16 -4.50 117.46 112.95 3hr0 n PHE 573 Ca 0.11 -0.20 0.13 0.00 -0.05 0.00 0.00 57.45 57.43 3hr0 n PHE 573 Cb 0.19 0.00 0.41 0.00 -0.94 0.00 0.00 39.48 39.14 3hr0 n PHE 573 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3hr0 h SER 574 N 3.20 0.00 0.00 4.37 4.64 -1.26 -3.28 113.55 121.22 3hr0 h SER 574 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3hr0 h SER 574 Cb 0.71 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 3hr0 h SER 574 CO 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 176.83 175.50 3hr0 n GLN 575 N -2.43 1.49 -0.99 4.77 6.02 -1.26 -4.99 117.38 119.99 3hr0 n GLN 575 Ca 0.04 -3.16 0.00 0.00 -0.01 0.00 0.00 57.00 53.87 3hr0 n GLN 575 Cb 0.39 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.11 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 -1.10 0.75 3.83 1.08 0.00 -1.24 -5.02 105.19 103.50 3hr0 n GLY 576 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.04 5.05 0.00 -0.61 1.01 -1.26 -5.03 121.20 117.32 3hr0 s ILE 577 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.39 3hr0 s ILE 577 Cb 0.00 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 39.15 3hr0 s ILE 577 CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.92 3hr0 n GLY 578 N 1.17 3.49 0.00 6.18 0.00 -1.26 -4.42 105.19 110.35 3hr0 n GLY 578 Ca -0.13 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 0.44 3.40 0.19 -0.02 0.00 -1.26 -4.97 105.19 102.98 3hr0 n GLY 579 Ca 0.00 -2.17 -0.09 0.00 0.00 0.00 0.00 46.02 43.76 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 0.60 -0.42 1.61 4.22 -2.01 -2.34 114.58 116.24 3hr0 h GLU 580 Ca 0.00 -0.10 -0.05 0.00 0.08 0.00 0.00 59.36 59.29 3hr0 h GLU 580 Cb 0.00 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3hr0 h GLU 580 CO 0.00 0.55 0.06 1.96 -2.18 0.00 0.00 179.01 179.39 3hr0 h GLN 581 N 0.52 0.70 -0.68 1.92 1.08 -1.99 -1.04 115.11 115.62 3hr0 h GLN 581 Ca 0.14 -0.19 -0.07 0.00 -1.45 0.00 0.00 58.65 57.07 3hr0 h GLN 581 Cb 0.16 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 3hr0 h GLN 581 CO -0.01 0.74 0.15 0.00 -0.95 0.00 0.00 178.83 178.76 3hr0 h ALA 582 N 0.93 0.90 0.19 3.87 0.00 -1.92 -1.04 119.26 122.18 3hr0 h ALA 582 Ca 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3hr0 h ALA 582 Cb 0.39 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hr0 h ALA 582 CO 0.01 0.64 -0.09 0.37 0.00 0.00 0.00 179.25 180.18 3hr0 h GLN 583 N 1.04 -0.25 -0.64 0.00 5.75 -1.29 -1.11 115.11 118.61 3hr0 h GLN 583 Ca 0.21 0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.76 3hr0 h GLN 583 Cb 0.39 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.96 3hr0 h GLN 583 CO 0.01 -0.10 0.39 0.00 -2.65 0.00 0.00 178.83 176.47 3hr0 h ALA 584 N 0.45 0.84 -0.45 3.38 0.00 -1.13 -0.47 119.26 121.88 3hr0 h ALA 584 Ca -0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3hr0 h ALA 584 Cb 0.26 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3hr0 h ALA 584 CO 0.04 0.13 -0.01 0.87 0.00 0.00 0.00 179.25 180.28 3hr0 h LYS 585 N 0.76 0.80 -0.43 0.00 1.57 -1.12 -1.04 116.57 117.11 3hr0 h LYS 585 Ca 0.26 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3hr0 h LYS 585 Cb 0.05 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3hr0 h LYS 585 CO -0.12 0.87 -0.04 0.35 -0.57 0.00 0.00 179.45 179.94 3hr0 h PHE 586 N 0.65 0.86 -0.79 -1.35 3.04 -0.95 0.32 116.94 118.71 3hr0 h PHE 586 Ca 0.13 -0.16 -0.01 0.00 3.98 0.00 0.00 57.97 61.91 3hr0 h PHE 586 Cb 0.51 -0.22 -0.04 0.00 2.56 0.00 0.00 35.95 38.77 3hr0 h PHE 586 CO 0.04 0.86 0.47 -0.44 -2.02 0.00 0.00 178.31 177.22 3hr0 h ASP 587 N 0.61 0.95 -0.51 0.41 3.32 -0.95 -1.48 116.42 118.77 3hr0 h ASP 587 Ca 0.12 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3hr0 h ASP 587 Cb 0.54 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3hr0 h ASP 587 CO 0.03 0.74 0.19 -1.28 -1.72 0.00 0.00 179.24 177.20 3hr0 h SER 588 N 1.08 0.72 -0.49 6.45 0.87 -0.90 -1.37 113.55 119.90 3hr0 h SER 588 Ca 0.28 -0.18 0.03 0.00 -1.23 0.00 0.00 61.79 60.69 3hr0 h SER 588 Cb -0.03 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 61.71 3hr0 h SER 588 CO -0.05 0.70 0.28 0.00 -0.53 0.00 0.00 176.83 177.23 3hr0 h LEU 590 N 0.56 1.03 -0.95 0.00 3.38 -1.08 -1.93 115.31 116.32 3hr0 h LEU 590 Ca 0.20 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3hr0 h LEU 590 Cb 0.05 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 3hr0 h LEU 590 CO -0.11 1.07 0.52 -1.28 0.09 0.00 0.00 178.44 178.73 3hr0 h SER 591 N 0.96 1.11 -0.38 -0.43 0.87 -1.05 -1.32 113.55 113.32 3hr0 h SER 591 Ca 0.18 -0.09 -0.08 0.00 -1.23 0.00 0.00 61.79 60.57 3hr0 h SER 591 Cb 0.52 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 3hr0 h SER 591 CO 0.03 0.88 -0.05 0.44 -0.53 0.00 0.00 176.83 177.59 3hr0 h ASP 592 N 1.26 0.78 -0.14 6.23 3.32 -0.92 -1.42 116.42 125.53 3hr0 h ASP 592 Ca 0.32 -0.21 -0.15 0.00 0.02 0.00 0.00 57.03 57.01 3hr0 h ASP 592 Cb -0.01 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3hr0 h ASP 592 CO -0.06 0.87 -0.44 -0.07 -1.72 0.00 0.00 179.24 177.83 3hr0 h LEU 593 N 0.73 0.74 -0.17 1.55 3.38 -0.97 -1.35 115.31 119.23 3hr0 h LEU 593 Ca 0.13 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.79 3hr0 h LEU 593 Cb 0.52 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3hr0 h LEU 593 CO 0.03 1.08 -0.04 0.00 0.09 0.00 0.00 178.44 179.59 3hr0 h ALA 594 N 0.95 0.11 -0.63 1.53 0.00 -1.00 -1.58 119.26 118.64 3hr0 h ALA 594 Ca 0.04 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3hr0 h ALA 594 Cb 0.98 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3hr0 h ALA 594 CO 0.09 -0.48 0.41 0.00 0.00 0.00 0.00 179.25 179.27 3hr0 h ALA 595 N 1.17 0.81 0.00 0.00 0.00 -1.10 -2.67 119.26 117.47 3hr0 h ALA 595 Ca 0.08 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3hr0 h ALA 595 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3hr0 h ALA 595 CO -0.17 0.19 -0.68 -0.24 0.00 0.00 0.00 179.25 178.36 3hr0 h VAL 596 N 0.82 1.47 -0.67 0.00 3.04 -1.13 -2.26 116.25 117.53 3hr0 h VAL 596 Ca 0.24 -2.33 -0.03 0.00 -1.01 0.00 0.00 66.70 63.56 3hr0 h VAL 596 Cb -0.05 2.26 -0.03 0.00 -2.01 0.00 0.00 31.29 31.46 3hr0 h VAL 596 CO -0.07 0.66 0.29 0.28 -1.01 0.00 0.00 177.57 177.73 3hr0 h SER 597 N 0.00 0.88 -0.55 3.17 0.02 -1.06 0.72 113.55 116.72 3hr0 h SER 597 Ca -0.01 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 3hr0 h SER 597 Cb 1.21 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 3hr0 h SER 597 CO 0.09 0.77 0.23 0.78 -1.14 0.00 0.00 176.83 177.56 3hr0 h ASN 598 N 0.96 0.76 -0.42 3.07 -0.26 -1.19 -2.49 115.58 115.99 3hr0 h ASN 598 Ca 0.23 -0.16 -0.07 0.00 -0.56 0.00 0.00 56.30 55.74 3hr0 h ASN 598 Cb 0.14 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.19 3hr0 h ASN 598 CO -0.02 0.71 0.04 0.11 -1.06 0.00 0.00 177.43 177.21 3hr0 h LYS 599 N 0.76 0.80 -0.67 0.81 1.57 -0.79 -2.13 116.57 116.91 3hr0 h LYS 599 Ca 0.19 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 3hr0 h LYS 599 Cb 0.18 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 3hr0 h LYS 599 CO -0.02 0.78 0.18 0.74 -0.57 0.00 0.00 179.45 180.56 3hr0 h PHE 600 N 0.75 1.10 -0.63 -1.35 0.04 -0.76 -0.34 116.94 115.75 3hr0 h PHE 600 Ca 0.15 -0.12 0.01 0.00 2.80 0.00 0.00 57.97 60.81 3hr0 h PHE 600 Cb 0.40 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.20 3hr0 h PHE 600 CO 0.02 0.90 0.41 -0.09 -0.60 0.00 0.00 178.31 178.95 3hr0 h ARG 601 N 0.98 0.82 -0.20 1.51 1.12 -1.19 -1.26 114.38 116.16 3hr0 h ARG 601 Ca 0.21 -0.05 0.01 0.00 -1.11 0.00 0.00 59.98 59.04 3hr0 h ARG 601 Cb 0.34 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 30.10 3hr0 h ARG 601 CO -0.00 0.54 0.11 0.22 -3.11 0.00 0.00 179.97 177.73 3hr0 h ASP 602 N 0.84 0.18 -0.40 -3.80 3.58 -1.12 -1.82 116.42 113.88 3hr0 h ASP 602 Ca 0.23 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.73 3hr0 h ASP 602 Cb -0.08 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 40.89 3hr0 h ASP 602 CO -0.06 0.14 0.16 0.25 -2.88 0.00 0.00 179.24 176.84 3hr0 h LEU 603 N 0.24 0.19 -0.50 2.28 5.85 -0.85 0.52 115.31 123.04 3hr0 h LEU 603 Ca 0.08 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3hr0 h LEU 603 Cb -0.00 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3hr0 h LEU 603 CO -0.04 0.14 0.30 -0.07 -0.34 0.00 0.00 178.44 178.43 3hr0 h LEU 604 N 0.33 0.60 -0.49 2.25 3.38 -1.00 0.97 115.31 121.35 3hr0 h LEU 604 Ca 0.18 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 3hr0 h LEU 604 Cb 0.14 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3hr0 h LEU 604 CO -0.17 0.48 -0.06 -0.61 0.09 0.00 0.00 178.44 178.17 3hr0 h GLN 605 N 0.66 0.91 -0.20 1.13 5.75 -1.11 -0.92 115.11 121.33 3hr0 h GLN 605 Ca 0.18 -0.32 0.01 0.00 -0.15 0.00 0.00 58.65 58.36 3hr0 h GLN 605 Cb -0.01 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 3hr0 h GLN 605 CO -0.03 0.97 0.12 1.49 -2.65 0.00 0.00 178.83 178.73 3hr0 h GLU 606 N 0.76 0.24 -0.35 1.69 4.57 -0.63 -1.59 114.58 119.27 3hr0 h GLU 606 Ca 0.13 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.36 3hr0 h GLU 606 Cb 0.60 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 29.07 3hr0 h GLU 606 CO 0.04 0.16 -0.02 0.78 -1.18 0.00 0.00 179.01 178.79 3hr0 h GLY 607 N 0.25 0.33 1.11 1.92 0.00 -0.60 -1.34 103.07 104.75 3hr0 h GLY 607 Ca 0.08 0.05 -0.11 0.00 0.00 0.00 0.00 47.33 47.35 3hr0 h GLY 607 CO -0.03 -0.09 -0.10 1.41 0.00 0.00 0.00 176.54 177.73 3hr0 h LEU 608 N 0.08 1.04 -0.70 3.11 3.38 -0.95 -0.91 115.31 120.36 3hr0 h LEU 608 Ca 0.17 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 3hr0 h LEU 608 Cb 0.24 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3hr0 h LEU 608 CO -0.30 1.14 -0.03 0.71 0.09 0.00 0.00 178.44 180.05 3hr0 h THR 609 N 0.92 1.26 -0.49 0.22 1.35 -1.14 -0.74 112.91 114.30 3hr0 h THR 609 Ca 0.14 -1.15 -0.10 0.00 -0.55 0.00 0.00 66.41 64.76 3hr0 h THR 609 Cb 0.67 0.86 -0.02 0.00 -1.73 0.00 0.00 68.15 67.94 3hr0 h THR 609 CO 0.05 0.41 -0.07 -0.33 -0.25 0.00 0.00 175.52 175.33 3hr0 h GLU 610 N 0.89 0.91 -0.03 4.72 5.08 -1.08 -1.41 114.58 123.66 3hr0 h GLU 610 Ca 0.16 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3hr0 h GLU 610 Cb 0.56 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 3hr0 h GLU 610 CO 0.03 0.97 0.00 1.25 -1.00 0.00 0.00 179.01 180.27 3hr0 h LEU 611 N 0.76 -0.00 -0.28 1.33 7.12 -1.01 0.13 115.31 123.36 3hr0 h LEU 611 Ca 0.13 0.00 0.06 0.00 0.13 0.00 0.00 57.88 58.21 3hr0 h LEU 611 Cb 0.61 0.01 -0.07 0.00 -0.53 0.00 0.00 40.66 40.68 3hr0 h LEU 611 CO 0.04 0.00 -0.16 -1.13 -0.13 0.00 0.00 178.44 177.06 3hr0 h ASN 612 N 0.01 -0.54 -0.49 1.25 -0.00 -1.06 0.21 115.58 114.96 3hr0 h ASN 612 Ca 0.01 0.12 -0.07 0.00 -0.00 0.00 0.00 56.30 56.36 3hr0 h ASN 612 Cb 0.01 0.29 -0.02 0.00 -0.00 0.00 0.00 38.32 38.59 3hr0 h ASN 612 CO -0.02 -0.20 0.06 0.28 -0.00 0.00 0.00 177.43 177.55 3hr0 h SER 613 N -0.13 0.84 0.14 1.15 0.02 -1.03 0.00 113.55 114.54 3hr0 h SER 613 Ca 0.15 -0.19 -0.25 0.00 -0.84 0.00 0.00 61.79 60.66 3hr0 h SER 613 Cb 0.36 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 62.69 3hr0 h SER 613 CO -0.36 0.87 -1.20 0.74 -1.14 0.00 0.00 176.83 175.73 3hr0 h THR 614 N 0.83 1.23 0.00 -2.27 2.02 -0.29 -3.38 112.91 111.05 3hr0 h THR 614 Ca 0.17 -2.48 -0.06 0.00 0.77 0.00 0.00 66.41 64.81 3hr0 h THR 614 Cb 0.41 2.92 -0.01 0.00 -1.74 0.00 0.00 68.15 69.73 3hr0 h THR 614 CO 0.01 0.72 -1.50 0.00 0.37 0.00 0.00 175.52 175.12 3hr0 n ALA 615 N -2.84 2.13 -0.13 6.16 0.00 0.69 -4.58 120.51 121.95 3hr0 n ALA 615 Ca -0.20 -0.37 -0.26 0.00 0.00 0.00 0.00 53.44 52.62 3hr0 n ALA 615 Cb 0.89 -0.18 -0.09 0.00 0.00 0.00 0.00 19.45 20.07 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 -2.02 1.52 -0.26 0.00 5.41 -0.88 -4.30 119.36 118.82 3hr0 n ILE 616 Ca -0.07 -0.26 0.06 0.00 1.00 0.00 0.00 62.75 63.48 3hr0 n ILE 616 Cb 0.46 -1.97 0.19 0.00 -0.71 0.00 0.00 39.64 37.61 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 -1.00 0.40 0.00 0.38 3.64 -1.18 -0.58 116.57 118.22 3hr0 h LYS 617 Ca -0.56 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 58.77 3hr0 h LYS 617 Cb 1.47 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.20 3hr0 h LYS 617 CO -0.34 0.26 -0.13 -1.35 -2.27 0.00 0.00 179.45 175.63 3hr0 h PRO 618 N 0.41 0.00 0.09 1.90 0.11 -1.79 0.19 132.00 132.91 3hr0 h PRO 618 Ca 0.42 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.38 3hr0 h PRO 618 Cb 0.66 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.78 3hr0 h PRO 618 CO -0.43 0.13 -0.62 1.96 -0.21 0.00 0.00 178.00 178.83 3hr0 h GLN 619 N 0.00 0.27 -0.18 1.05 4.20 -1.47 -3.40 115.11 115.58 3hr0 h GLN 619 Ca -0.00 -0.40 -0.21 0.00 0.06 0.00 0.00 58.65 58.09 3hr0 h GLN 619 Cb 0.33 0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.26 3hr0 h GLN 619 CO 0.02 1.16 -0.73 0.28 -0.67 0.00 0.00 178.83 178.89 3hr0 h VAL 620 N -0.43 1.28 -0.30 -0.54 2.07 -0.79 -3.30 116.25 114.24 3hr0 h VAL 620 Ca -0.10 -1.93 0.05 0.00 0.82 0.00 0.00 66.70 65.54 3hr0 h VAL 620 Cb 1.45 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 33.08 3hr0 h VAL 620 CO 0.12 0.61 -0.02 -0.61 0.02 0.00 0.00 177.57 177.69 3hr0 h GLN 621 N 0.55 0.06 -0.98 1.57 4.15 -0.83 -1.07 115.11 118.57 3hr0 h GLN 621 Ca -0.04 -0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.44 3hr0 h GLN 621 Cb 1.35 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.96 3hr0 h GLN 621 CO 0.15 0.04 0.63 -1.35 -1.93 0.00 0.00 178.83 176.37 3hr0 h PRO 622 N 0.07 1.13 -0.79 -2.39 0.11 -1.76 0.14 132.00 128.49 3hr0 h PRO 622 Ca 0.14 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 3hr0 h PRO 622 Cb 0.20 -0.25 -0.04 0.00 0.11 0.00 0.00 31.00 31.02 3hr0 h PRO 622 CO -0.26 0.75 0.44 -1.49 -0.21 0.00 0.00 178.00 177.22 3hr0 h TRP 623 N 1.16 1.09 -0.11 0.65 6.55 -1.44 -2.28 115.95 121.57 3hr0 h TRP 623 Ca 0.41 -0.03 -0.12 0.00 0.95 0.00 0.00 58.89 60.11 3hr0 h TRP 623 Cb 0.13 -0.35 0.00 0.00 -0.86 0.00 0.00 29.16 28.08 3hr0 h TRP 623 CO -0.01 0.76 -0.40 0.82 -1.05 0.00 0.00 178.44 178.57 3hr0 h ILE 624 N 1.10 1.38 -0.18 1.49 2.04 -0.93 -3.21 117.51 119.19 3hr0 h ILE 624 Ca 0.28 -1.72 0.05 0.00 1.00 0.00 0.00 64.86 64.48 3hr0 h ILE 624 Cb 0.03 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 3hr0 h ILE 624 CO -0.05 0.51 0.18 0.78 0.00 0.00 0.00 178.15 179.58 3hr0 h ASN 625 N 0.06 0.00 -0.14 1.72 -0.26 -0.57 -0.66 115.58 115.73 3hr0 h ASN 625 Ca -0.02 0.00 0.04 0.00 -0.56 0.00 0.00 56.30 55.76 3hr0 h ASN 625 Cb 1.02 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.28 3hr0 h ASN 625 CO 0.08 0.00 0.17 0.28 -1.06 0.00 0.00 177.43 176.90 3hr0 h SER 626 N 0.00 0.00 -0.96 5.81 0.02 -1.41 -1.67 113.55 115.34 3hr0 h SER 626 Ca 0.09 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.16 3hr0 h SER 626 Cb 0.45 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.91 3hr0 h SER 626 CO -0.00 0.00 0.61 0.15 -1.14 0.00 0.00 176.83 176.45 3hr0 h PHE 627 N 0.00 1.04 -0.52 3.45 3.04 -1.29 -2.18 116.94 120.48 3hr0 h PHE 627 Ca 0.06 0.03 0.08 0.00 3.98 0.00 0.00 57.97 62.12 3hr0 h PHE 627 Cb 0.40 -0.33 -0.03 0.00 2.56 0.00 0.00 35.95 38.55 3hr0 h PHE 627 CO 0.00 0.41 0.35 0.35 -2.02 0.00 0.00 178.31 177.40 3hr0 h PHE 628 N 0.90 0.38 -0.00 0.41 3.57 -1.50 -1.75 116.94 118.95 3hr0 h PHE 628 Ca 0.48 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.99 3hr0 h PHE 628 Cb 0.54 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.16 3hr0 h PHE 628 CO -0.00 0.19 -0.03 0.43 -2.23 0.00 0.00 178.31 176.66 3hr0 n SER 629 N -4.47 0.19 -4.56 0.41 7.64 -0.82 -4.69 113.62 107.32 3hr0 n SER 629 Ca 0.08 -0.50 -0.39 0.00 1.01 0.00 0.00 58.87 59.06 3hr0 n SER 629 Cb 0.32 -0.15 -0.10 0.00 -1.01 0.00 0.00 64.21 63.27 3hr0 n SER 629 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hr0 s VAL 630 N -2.40 5.27 0.23 0.44 1.01 -0.66 -5.05 120.40 119.24 3hr0 s VAL 630 Ca 0.33 -0.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 3hr0 s VAL 630 Cb 0.21 -3.66 -0.10 0.00 0.00 0.00 0.00 36.38 32.82 3hr0 s VAL 630 CO 0.44 0.08 1.50 -0.55 0.00 0.00 0.00 175.10 176.58 3hr0 s SER 631 N 1.73 6.60 -0.16 3.32 0.15 -1.26 -4.87 113.70 119.20 3hr0 s SER 631 Ca 0.08 2.69 0.17 0.00 0.70 0.00 0.00 55.95 59.58 3hr0 s SER 631 Cb -0.17 -2.61 0.40 0.00 -1.71 0.00 0.00 66.02 61.93 3hr0 s SER 631 CO 0.11 -0.77 1.27 1.41 1.20 0.00 0.00 173.24 176.46 3hr0 n HIS 632 N 2.84 0.41 -3.81 3.44 8.25 -1.25 -4.81 115.22 120.29 3hr0 n HIS 632 Ca 0.09 -1.03 -0.33 0.00 -0.26 0.00 0.00 57.72 56.19 3hr0 n HIS 632 Cb 0.39 -0.24 -0.11 0.00 1.12 0.00 0.00 29.99 31.15 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 -2.54 4.90 0.11 0.41 2.47 -1.23 -1.80 114.94 117.26 3hr0 s ASN 633 Ca 0.37 -3.08 0.03 0.00 0.42 0.00 0.00 52.86 50.60 3hr0 s ASN 633 Cb 0.32 -1.76 -0.04 0.00 -1.45 0.00 0.00 41.25 38.32 3hr0 s ASN 633 CO 0.04 -0.28 -0.08 0.27 -3.72 0.00 0.00 177.10 173.33 3hr0 s ILE 634 N -0.38 0.87 0.53 -5.21 -4.36 -1.26 -4.94 121.20 106.45 3hr0 s ILE 634 Ca 0.19 -1.90 0.05 0.00 -0.26 0.00 0.00 60.65 58.73 3hr0 s ILE 634 Cb -0.20 -1.65 0.03 0.00 1.25 0.00 0.00 42.46 41.89 3hr0 s ILE 634 CO -0.04 -0.77 0.38 -1.61 0.24 0.00 0.00 174.94 173.14 3hr0 s GLU 635 N -3.58 2.26 0.42 0.37 2.02 -1.26 -4.55 118.70 114.38 3hr0 s GLU 635 Ca 0.12 -2.01 0.09 0.00 0.02 0.00 0.00 54.97 53.18 3hr0 s GLU 635 Cb 0.03 -2.08 0.90 0.00 0.10 0.00 0.00 34.13 33.07 3hr0 s GLU 635 CO -0.02 -0.57 2.04 0.93 0.02 0.00 0.00 175.26 177.66 3hr0 h GLU 636 N 0.81 0.42 -0.34 1.61 4.39 -2.01 -0.77 114.58 118.70 3hr0 h GLU 636 Ca -0.37 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.29 3hr0 h GLU 636 Cb 1.30 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 3hr0 h GLU 636 CO 0.58 0.32 0.22 1.49 -1.16 0.00 0.00 179.01 180.46 3hr0 h GLU 637 N 0.42 0.45 -0.43 2.33 4.81 -1.99 0.22 114.58 120.39 3hr0 h GLU 637 Ca 0.11 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.19 3hr0 h GLU 637 Cb 0.03 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3hr0 h GLU 637 CO -0.02 0.30 -0.20 0.93 -0.73 0.00 0.00 179.01 179.30 3hr0 h GLU 638 N 0.45 0.89 -0.71 1.92 3.07 -1.83 -1.26 114.58 117.12 3hr0 h GLU 638 Ca 0.12 -0.39 0.08 0.00 -0.50 0.00 0.00 59.36 58.68 3hr0 h GLU 638 Cb -0.04 -0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 27.77 3hr0 h GLU 638 CO -0.03 1.03 0.37 0.35 -1.40 0.00 0.00 179.01 179.34 3hr0 h PHE 639 N 0.71 0.67 -0.37 4.33 3.57 -0.85 0.37 116.94 125.37 3hr0 h PHE 639 Ca 0.10 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 3hr0 h PHE 639 Cb 0.76 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 3hr0 h PHE 639 CO 0.06 0.27 -0.23 -0.91 -2.23 0.00 0.00 178.31 175.27 3hr0 h ASN 640 N 0.64 0.73 -0.45 0.41 2.35 -0.45 -1.61 115.58 117.21 3hr0 h ASN 640 Ca 0.34 -0.26 0.07 0.00 -0.55 0.00 0.00 56.30 55.89 3hr0 h ASN 640 Cb 0.31 -0.20 -0.06 0.00 0.05 0.00 0.00 38.32 38.42 3hr0 h ASN 640 CO -0.24 0.94 0.11 0.44 -1.65 0.00 0.00 177.43 177.03 3hr0 h ASP 641 N 0.63 0.06 -0.42 5.81 3.32 -0.59 -1.89 116.42 123.33 3hr0 h ASP 641 Ca 0.09 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 3hr0 h ASP 641 Cb 0.72 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 3hr0 h ASP 641 CO 0.06 0.06 0.17 1.88 -1.72 0.00 0.00 179.24 179.69 3hr0 h TYR 642 N 0.26 0.69 -0.58 4.55 0.05 -0.57 0.10 116.97 121.47 3hr0 h TYR 642 Ca 0.22 -0.04 -0.10 0.00 0.05 0.00 0.00 58.73 58.86 3hr0 h TYR 642 Cb 0.26 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.76 3hr0 h TYR 642 CO -0.19 0.55 -0.03 1.49 -1.05 0.00 0.00 178.16 178.93 3hr0 h GLU 643 N 0.68 1.04 -0.25 4.88 4.57 -0.85 -2.76 114.58 121.89 3hr0 h GLU 643 Ca 0.16 -0.34 -0.19 0.00 -1.18 0.00 0.00 59.36 57.80 3hr0 h GLU 643 Cb 0.17 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 3hr0 h GLU 643 CO -0.01 1.04 -0.61 0.00 -1.18 0.00 0.00 179.01 178.25 3hr0 h ALA 644 N 0.97 0.44 -2.82 2.92 0.00 -1.03 -3.41 119.26 116.33 3hr0 h ALA 644 Ca 0.16 -0.54 -0.53 0.00 0.00 0.00 0.00 54.91 54.01 3hr0 h ALA 644 Cb 0.58 -0.06 -0.40 0.00 0.00 0.00 0.00 17.79 17.91 3hr0 h ALA 644 CO 0.03 0.68 -0.78 -0.80 0.00 0.00 0.00 179.25 178.39 3hr0 s ASN 645 N -6.99 3.46 0.18 0.00 -0.87 -0.00 -5.11 114.94 105.61 3hr0 s ASN 645 Ca -0.10 -1.25 -0.32 0.00 -1.57 0.00 0.00 52.86 49.62 3hr0 s ASN 645 Cb 0.10 -0.36 -0.11 0.00 -0.02 0.00 0.00 41.25 40.86 3hr0 s ASN 645 CO 0.89 -0.43 1.70 -0.62 -2.57 0.00 0.00 177.10 176.07 3hr0 s ASP 646 N 2.09 6.44 0.10 -1.22 2.15 -1.04 -4.27 116.67 120.92 3hr0 s ASP 646 Ca 0.08 2.79 0.26 0.00 0.43 0.00 0.00 52.55 56.12 3hr0 s ASP 646 Cb -0.16 -2.59 0.75 0.00 -0.30 0.00 0.00 42.92 40.62 3hr0 s ASP 646 CO -0.34 -0.94 1.64 -0.81 -0.17 0.00 0.00 175.17 174.54 3hr0 n PRO 647 N 4.23 0.16 0.19 4.34 -0.04 -1.26 -4.85 135.00 137.77 3hr0 n PRO 647 Ca 0.16 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 3hr0 n PRO 647 Cb 0.36 -1.65 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 3hr0 n PRO 647 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 3hr0 n TRP 648 N -1.91 -3.79 0.03 0.54 -0.00 -1.26 -5.00 117.44 106.06 3hr0 n TRP 648 Ca 0.05 1.12 -0.01 0.00 -0.00 0.00 0.00 57.50 58.66 3hr0 n TRP 648 Cb 0.39 2.65 0.27 0.00 -0.00 0.00 0.00 31.31 34.62 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 1.23 -0.32 5.87 3.04 -1.94 -1.59 116.25 122.53 3hr0 h VAL 649 Ca 0.00 -1.02 -0.17 0.00 -1.01 0.00 0.00 66.70 64.50 3hr0 h VAL 649 Cb 0.00 1.19 -0.00 0.00 -2.01 0.00 0.00 31.29 30.46 3hr0 h VAL 649 CO 0.00 0.33 -0.47 1.56 -1.01 0.00 0.00 177.57 177.98 3hr0 h GLN 650 N 0.41 0.89 -0.51 4.17 1.08 -1.95 0.37 115.11 119.57 3hr0 h GLN 650 Ca 0.08 -0.53 -0.13 0.00 -1.45 0.00 0.00 58.65 56.62 3hr0 h GLN 650 Cb 0.50 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 3hr0 h GLN 650 CO 0.03 1.17 -0.18 0.37 -0.95 0.00 0.00 178.83 179.27 3hr0 h GLN 651 N 0.69 1.02 -0.47 1.46 5.75 -1.88 -1.17 115.11 120.51 3hr0 h GLN 651 Ca 0.03 -0.42 0.05 0.00 -0.15 0.00 0.00 58.65 58.17 3hr0 h GLN 651 Cb 1.08 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 29.53 3hr0 h GLN 651 CO 0.11 1.10 0.19 0.35 -2.65 0.00 0.00 178.83 177.94 3hr0 h PHE 652 N 0.89 0.35 -0.36 3.99 3.57 -1.00 -0.14 116.94 124.24 3hr0 h PHE 652 Ca 0.12 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.65 3hr0 h PHE 652 Cb 0.76 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 3hr0 h PHE 652 CO 0.05 0.15 0.23 0.82 -2.23 0.00 0.00 178.31 177.33 3hr0 h ILE 653 N 0.39 1.08 -0.69 1.41 2.04 -0.76 -0.66 117.51 120.33 3hr0 h ILE 653 Ca 0.22 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.96 3hr0 h ILE 653 Cb 0.18 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 3hr0 h ILE 653 CO -0.19 0.09 0.40 -0.07 0.00 0.00 0.00 178.15 178.37 3hr0 h LEU 654 N 0.47 0.62 -0.45 1.44 3.38 -0.84 0.72 115.31 120.66 3hr0 h LEU 654 Ca 0.13 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3hr0 h LEU 654 Cb -0.04 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3hr0 h LEU 654 CO -0.04 0.40 0.29 0.78 0.09 0.00 0.00 178.44 179.96 3hr0 h ASN 655 N 0.75 0.48 -0.28 -0.43 -0.26 -0.65 -2.18 115.58 113.01 3hr0 h ASN 655 Ca 0.30 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 56.02 3hr0 h ASN 655 Cb 0.15 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 3hr0 h ASN 655 CO -0.16 0.35 0.11 -0.07 -1.06 0.00 0.00 177.43 176.59 3hr0 h LEU 656 N 0.58 0.39 -0.94 1.61 3.38 -0.80 -3.10 115.31 116.43 3hr0 h LEU 656 Ca 0.17 -0.17 0.13 0.00 0.09 0.00 0.00 57.88 58.10 3hr0 h LEU 656 Cb -0.04 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.52 3hr0 h LEU 656 CO -0.05 0.45 0.56 -0.33 0.09 0.00 0.00 178.44 179.16 3hr0 h GLU 657 N 0.30 0.81 -0.50 1.13 5.08 -0.68 0.76 114.58 121.49 3hr0 h GLU 657 Ca 0.09 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 3hr0 h GLU 657 Cb 0.19 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3hr0 h GLU 657 CO -0.01 0.54 0.08 0.37 -1.00 0.00 0.00 179.01 178.99 3hr0 h GLN 658 N 0.83 0.82 -0.00 2.33 4.15 -1.35 -1.02 115.11 120.87 3hr0 h GLN 658 Ca 0.49 -0.22 -0.00 0.00 0.77 0.00 0.00 58.65 59.69 3hr0 h GLN 658 Cb 0.58 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.18 3hr0 h GLN 658 CO -0.31 0.82 0.00 1.96 -1.93 0.00 0.00 178.83 179.38 3hr0 h GLN 659 N 0.70 0.00 -0.68 1.69 1.08 -1.33 -2.75 115.11 113.82 3hr0 h GLN 659 Ca 0.15 -0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.38 3hr0 h GLN 659 Cb 0.40 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.79 3hr0 h GLN 659 CO 0.01 0.21 0.42 0.52 -0.95 0.00 0.00 178.83 179.04 3hr0 h MET 660 N -0.21 0.79 -0.35 1.46 2.86 -0.69 -1.61 114.93 117.18 3hr0 h MET 660 Ca 0.00 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 3hr0 h MET 660 Cb 0.21 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 3hr0 h MET 660 CO -0.00 0.52 -0.21 0.00 1.06 0.00 0.00 176.91 178.29 3hr0 h ALA 661 N 1.29 0.98 -0.27 6.32 0.00 -1.25 0.90 119.26 127.24 3hr0 h ALA 661 Ca 0.27 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3hr0 h ALA 661 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3hr0 h ALA 661 CO -0.11 0.60 0.17 1.49 0.00 0.00 0.00 179.25 181.40 3hr0 h GLU 662 N 0.59 0.35 -0.54 0.00 4.81 -1.11 -2.46 114.58 116.22 3hr0 h GLU 662 Ca 0.09 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 3hr0 h GLU 662 Cb 0.68 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 3hr0 h GLU 662 CO 0.05 0.23 0.13 0.74 -0.73 0.00 0.00 179.01 179.43 3hr0 h PHE 663 N 0.36 0.90 -0.35 0.92 0.04 -0.95 -3.14 116.94 114.72 3hr0 h PHE 663 Ca 0.10 -0.11 -0.06 0.00 2.80 0.00 0.00 57.97 60.70 3hr0 h PHE 663 Cb -0.03 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 37.85 3hr0 h PHE 663 CO -0.06 0.79 -0.04 -0.22 -0.60 0.00 0.00 178.31 178.17 3hr0 h LYS 664 N 0.76 0.57 0.00 1.51 3.64 -0.71 -2.27 116.57 120.05 3hr0 h LYS 664 Ca 0.17 -0.14 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 3hr0 h LYS 664 Cb 0.34 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3hr0 h LYS 664 CO 0.00 0.62 -0.27 0.00 -2.27 0.00 0.00 179.45 177.54 3hr0 h ALA 665 N 1.42 0.97 -0.00 5.00 0.00 -1.40 -3.34 119.26 121.91 3hr0 h ALA 665 Ca 0.11 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hr0 h ALA 665 Cb 0.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hr0 h ALA 665 CO 0.02 0.34 -0.34 0.43 0.00 0.00 0.00 179.25 179.69 3hr0 n SER 666 N -3.36 0.89 -4.34 0.00 7.64 -1.02 -5.04 113.62 108.38 3hr0 n SER 666 Ca 0.01 -0.95 -0.24 0.00 1.01 0.00 0.00 58.87 58.70 3hr0 n SER 666 Cb 0.49 0.72 -0.12 0.00 -1.01 0.00 0.00 64.21 64.29 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 -2.04 2.39 0.57 -3.43 1.43 -0.89 -4.84 118.68 111.87 3hr0 s LEU 667 Ca 0.06 -0.81 -0.19 0.00 -1.03 0.00 0.00 54.13 52.17 3hr0 s LEU 667 Cb 0.08 -0.93 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 3hr0 s LEU 667 CO 0.34 0.03 1.14 -0.94 0.23 0.00 0.00 176.35 177.15 3hr0 s SER 668 N -2.42 5.54 0.30 2.29 1.04 -1.26 -4.77 113.70 114.42 3hr0 s SER 668 Ca 0.14 2.17 0.06 0.00 0.48 0.00 0.00 55.95 58.80 3hr0 s SER 668 Cb -0.08 -2.58 0.81 0.00 0.10 0.00 0.00 66.02 64.28 3hr0 s SER 668 CO 0.07 -1.34 1.69 -0.65 0.98 0.00 0.00 173.24 173.98 3hr0 h PRO 669 N 0.94 0.39 -0.66 4.02 0.11 -1.98 -0.30 132.00 134.52 3hr0 h PRO 669 Ca -0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3hr0 h PRO 669 Cb 1.26 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 3hr0 h PRO 669 CO 0.56 0.26 0.38 0.28 -0.21 0.00 0.00 178.00 179.27 3hr0 h VAL 670 N 0.41 1.20 -0.01 3.15 2.07 -1.99 0.17 116.25 121.25 3hr0 h VAL 670 Ca 0.60 -0.49 -0.09 0.00 0.82 0.00 0.00 66.70 67.55 3hr0 h VAL 670 Cb 1.19 0.32 0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3hr0 h VAL 670 CO -0.54 0.22 -0.33 0.40 0.02 0.00 0.00 177.57 177.33 3hr0 h ILE 671 N 0.90 1.51 -0.25 4.57 1.08 -1.75 -2.67 117.51 120.90 3hr0 h ILE 671 Ca 0.24 -1.95 0.05 0.00 -0.39 0.00 0.00 64.86 62.80 3hr0 h ILE 671 Cb 0.02 2.69 -0.05 0.00 -3.07 0.00 0.00 36.82 36.41 3hr0 h ILE 671 CO -0.04 0.54 -0.07 0.22 -0.69 0.00 0.00 178.15 178.12 3hr0 h TYR 672 N -0.38 -0.15 -0.72 1.37 3.20 -1.04 0.57 116.97 119.82 3hr0 h TYR 672 Ca -0.04 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.86 3hr0 h TYR 672 Cb 1.07 0.10 -0.04 0.00 1.54 0.00 0.00 36.73 39.41 3hr0 h TYR 672 CO 0.17 -0.12 0.48 -0.44 -1.64 0.00 0.00 178.16 176.61 3hr0 h ASP 673 N -0.01 0.82 -0.43 -2.11 3.32 -1.03 0.37 116.42 117.36 3hr0 h ASP 673 Ca 0.12 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 3hr0 h ASP 673 Cb 0.19 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3hr0 h ASP 673 CO -0.27 0.60 0.25 -1.28 -1.72 0.00 0.00 179.24 176.82 3hr0 h SER 674 N 0.97 0.52 -0.30 6.45 0.87 -1.21 -1.93 113.55 118.93 3hr0 h SER 674 Ca 0.26 -0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.72 3hr0 h SER 674 Cb -0.11 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 3hr0 h SER 674 CO -0.06 0.44 0.04 0.25 -0.53 0.00 0.00 176.83 176.97 3hr0 h LEU 675 N 0.56 0.48 -1.46 2.23 5.85 -0.41 -2.10 115.31 120.46 3hr0 h LEU 675 Ca 0.15 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 3hr0 h LEU 675 Cb 0.02 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 3hr0 h LEU 675 CO -0.03 0.63 -0.11 0.71 -0.34 0.00 0.00 178.44 179.30 3hr0 h THR 676 N 0.31 1.16 -0.42 1.05 1.35 -0.89 -0.51 112.91 114.97 3hr0 h THR 676 Ca 0.09 -0.70 -0.02 0.00 -0.55 0.00 0.00 66.41 65.23 3hr0 h THR 676 Cb 0.36 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 67.93 3hr0 h THR 676 CO 0.01 0.22 0.17 1.23 -0.25 0.00 0.00 175.52 176.89 3hr0 h GLY 677 N 0.67 0.67 1.00 5.82 0.00 -1.08 0.11 103.07 110.26 3hr0 h GLY 677 Ca 0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 3hr0 h GLY 677 CO 0.02 0.34 0.29 1.41 0.00 0.00 0.00 176.54 178.60 3hr0 h LEU 678 N 0.53 0.86 -0.55 3.11 3.38 -0.82 -2.12 115.31 119.70 3hr0 h LEU 678 Ca 0.14 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3hr0 h LEU 678 Cb 0.19 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3hr0 h LEU 678 CO -0.01 0.77 0.11 0.24 0.09 0.00 0.00 178.44 179.64 3hr0 h MET 679 N 0.90 0.89 -0.52 1.13 2.86 -0.94 -1.83 114.93 117.42 3hr0 h MET 679 Ca 0.22 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3hr0 h MET 679 Cb 0.15 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 3hr0 h MET 679 CO -0.02 0.85 0.33 1.15 1.06 0.00 0.00 176.91 180.27 3hr0 h THR 680 N 0.79 1.15 -0.50 2.22 2.02 -0.63 -1.31 112.91 116.65 3hr0 h THR 680 Ca 0.17 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 3hr0 h THR 680 Cb 0.38 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 3hr0 h THR 680 CO 0.01 0.15 0.29 0.28 0.37 0.00 0.00 175.52 176.62 3hr0 h SER 681 N 0.70 0.60 -0.34 4.18 0.02 -1.25 -2.01 113.55 115.45 3hr0 h SER 681 Ca 0.19 -0.07 0.04 0.00 -0.84 0.00 0.00 61.79 61.11 3hr0 h SER 681 Cb -0.04 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.31 3hr0 h SER 681 CO -0.04 0.50 0.09 0.25 -1.14 0.00 0.00 176.83 176.49 3hr0 h LEU 682 N 0.66 0.07 -0.41 5.07 5.85 -1.05 -1.12 115.31 124.39 3hr0 h LEU 682 Ca 0.18 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.96 3hr0 h LEU 682 Cb 0.01 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3hr0 h LEU 682 CO -0.03 0.08 0.24 0.58 -0.34 0.00 0.00 178.44 178.97 3hr0 h VAL 683 N 0.23 1.05 -0.60 1.05 2.07 -1.10 -0.86 116.25 118.09 3hr0 h VAL 683 Ca 0.16 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.52 3hr0 h VAL 683 Cb 0.16 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3hr0 h VAL 683 CO -0.18 0.09 0.39 0.00 0.02 0.00 0.00 177.57 177.89 3hr0 h ALA 684 N 1.18 0.76 -0.06 1.67 0.00 -1.05 0.68 119.26 122.45 3hr0 h ALA 684 Ca 0.16 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hr0 h ALA 684 Cb 0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3hr0 h ALA 684 CO -0.07 0.19 0.02 0.28 0.00 0.00 0.00 179.25 179.66 3hr0 h VAL 685 N 0.80 1.15 -0.10 0.00 2.07 -0.97 -2.30 116.25 116.91 3hr0 h VAL 685 Ca 0.22 -0.46 -0.17 0.00 0.82 0.00 0.00 66.70 67.12 3hr0 h VAL 685 Cb -0.09 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3hr0 h VAL 685 CO -0.05 0.13 -0.65 -0.33 0.02 0.00 0.00 177.57 176.69 3hr0 h GLU 686 N -0.08 0.40 -0.48 1.57 4.39 -1.06 -2.75 114.58 116.58 3hr0 h GLU 686 Ca 0.02 -0.29 -0.13 0.00 0.34 0.00 0.00 59.36 59.29 3hr0 h GLU 686 Cb 0.19 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 3hr0 h GLU 686 CO -0.00 0.91 -0.23 1.25 -1.16 0.00 0.00 179.01 179.78 3hr0 h LEU 687 N 0.29 1.02 -0.48 1.33 5.85 -0.89 -2.76 115.31 119.67 3hr0 h LEU 687 Ca -0.01 -0.40 0.08 0.00 0.84 0.00 0.00 57.88 58.38 3hr0 h LEU 687 Cb 1.19 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 3hr0 h LEU 687 CO 0.11 1.20 0.11 -0.08 -0.34 0.00 0.00 178.44 179.44 3hr0 h GLU 688 N 0.85 0.25 -0.38 1.25 4.81 -1.34 -1.04 114.58 118.98 3hr0 h GLU 688 Ca 0.11 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.38 3hr0 h GLU 688 Cb 0.81 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.08 3hr0 h GLU 688 CO 0.07 0.16 0.07 0.87 -0.73 0.00 0.00 179.01 179.45 3hr0 h LYS 689 N 0.25 0.19 -0.21 1.92 1.57 -1.29 -1.76 116.57 117.24 3hr0 h LYS 689 Ca 0.23 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.85 3hr0 h LYS 689 Cb 0.30 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3hr0 h LYS 689 CO -0.29 0.12 -0.50 -0.24 -0.57 0.00 0.00 179.45 177.97 3hr0 h VAL 690 N 0.19 1.31 -0.65 0.50 3.04 -1.25 -2.84 116.25 116.56 3hr0 h VAL 690 Ca 0.18 -1.73 0.05 0.00 -1.01 0.00 0.00 66.70 64.20 3hr0 h VAL 690 Cb 0.21 1.70 -0.05 0.00 -2.01 0.00 0.00 31.29 31.14 3hr0 h VAL 690 CO -0.24 0.54 0.36 0.58 -1.01 0.00 0.00 177.57 177.80 3hr0 h VAL 691 N 0.45 0.99 0.00 1.51 2.07 -1.01 -1.88 116.25 118.38 3hr0 h VAL 691 Ca 0.02 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3hr0 h VAL 691 Cb 1.04 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3hr0 h VAL 691 CO 0.10 0.12 0.00 0.18 0.02 0.00 0.00 177.57 177.99 3hr0 n LEU 692 N -4.78 0.21 -0.35 2.57 4.77 -0.68 -1.17 117.00 117.56 3hr0 n LEU 692 Ca 0.08 0.56 0.11 0.00 -0.03 0.00 0.00 56.01 56.73 3hr0 n LEU 692 Cb 0.15 -0.54 0.10 0.00 -2.33 0.00 0.00 43.42 40.81 3hr0 n LEU 692 CO 0.30 -0.39 0.37 0.29 -1.33 0.00 0.00 177.39 176.62 3hr0 n LYS 693 N -1.74 0.92 -3.63 3.23 5.02 -0.73 -5.01 118.16 116.22 3hr0 n LYS 693 Ca 0.03 -0.71 -0.22 0.00 -2.02 0.00 0.00 58.31 55.39 3hr0 n LYS 693 Cb 0.16 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.68 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 -2.57 6.21 -0.13 4.39 0.01 -0.32 -5.10 113.70 116.19 3hr0 s SER 694 Ca 0.19 0.16 -0.01 0.00 1.31 0.00 0.00 55.95 57.59 3hr0 s SER 694 Cb 0.18 -1.78 -0.02 0.00 0.21 0.00 0.00 66.02 64.61 3hr0 s SER 694 CO 0.60 -0.25 -0.10 -0.89 0.41 0.00 0.00 173.24 173.01 3hr0 s THR 695 N -2.16 3.38 0.07 1.44 2.01 -1.26 -4.82 115.64 114.30 3hr0 s THR 695 Ca 0.39 -0.55 0.09 0.00 0.31 0.00 0.00 61.69 61.93 3hr0 s THR 695 Cb -0.09 -2.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 3hr0 s THR 695 CO 0.32 0.52 -0.23 -0.36 -0.69 0.00 0.00 174.62 174.18 3hr0 s PHE 696 N 0.26 2.00 0.02 4.92 0.40 -0.23 -3.49 117.98 121.86 3hr0 s PHE 696 Ca -0.07 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 3hr0 s PHE 696 Cb -0.15 -1.15 0.00 0.00 0.51 0.00 0.00 43.02 42.23 3hr0 s PHE 696 CO 0.04 0.17 0.01 0.27 0.70 0.00 0.00 175.22 176.41 3hr0 n ASN 697 N 1.50 1.71 0.01 1.36 6.94 -0.74 -0.76 115.26 125.28 3hr0 n ASN 697 Ca -0.18 -1.09 -0.12 0.00 -0.02 0.00 0.00 54.58 53.18 3hr0 n ASN 697 Cb 0.53 0.01 -0.07 0.00 -2.36 0.00 0.00 39.78 37.89 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 0.06 -0.14 -3.83 9.65 -1.89 0.25 114.38 118.48 3hr0 h ARG 698 Ca -0.02 -0.01 -0.10 0.00 -1.10 0.00 0.00 59.98 58.75 3hr0 h ARG 698 Cb 0.05 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 3hr0 h ARG 698 CO 0.03 0.15 -0.37 1.25 2.80 0.00 0.00 179.97 183.83 3hr0 h LEU 699 N -0.04 0.31 -1.06 3.80 5.85 -1.90 -0.95 115.31 121.31 3hr0 h LEU 699 Ca 0.01 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3hr0 h LEU 699 Cb 0.11 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 3hr0 h LEU 699 CO -0.00 0.67 0.49 1.23 -0.34 0.00 0.00 178.44 180.48 3hr0 h GLY 700 N 1.15 1.21 1.04 3.75 0.00 -1.56 -0.88 103.07 107.79 3hr0 h GLY 700 Ca 0.03 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 3hr0 h GLY 700 CO 0.06 0.49 0.44 -1.33 0.00 0.00 0.00 176.54 176.21 3hr0 h GLY 701 N 1.17 1.33 1.02 4.60 0.00 0.06 -0.85 103.07 110.40 3hr0 h GLY 701 Ca 0.30 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 3hr0 h GLY 701 CO -0.05 0.61 0.18 -2.00 0.00 0.00 0.00 176.54 175.28 3hr0 h LEU 702 N 1.24 0.94 -0.37 3.11 5.85 -0.66 -0.19 115.31 125.23 3hr0 h LEU 702 Ca 0.30 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.82 3hr0 h LEU 702 Cb 0.08 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 3hr0 h LEU 702 CO -0.04 0.91 0.21 -0.61 -0.34 0.00 0.00 178.44 178.57 3hr0 h GLN 703 N 0.92 0.42 -0.76 1.25 5.75 -0.94 -2.60 115.11 119.15 3hr0 h GLN 703 Ca 0.20 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.68 3hr0 h GLN 703 Cb 0.32 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.73 3hr0 h GLN 703 CO -0.00 0.28 0.50 0.35 -2.65 0.00 0.00 178.83 177.31 3hr0 h PHE 704 N 0.44 0.96 -0.70 3.99 3.57 -0.77 -0.81 116.94 123.62 3hr0 h PHE 704 Ca 0.14 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.73 3hr0 h PHE 704 Cb 0.00 -0.33 -0.06 0.00 2.79 0.00 0.00 35.95 38.36 3hr0 h PHE 704 CO -0.07 0.61 0.39 0.22 -2.23 0.00 0.00 178.31 177.22 3hr0 h ASP 705 N 1.04 0.56 -0.10 0.41 3.58 -0.80 0.23 116.42 121.33 3hr0 h ASP 705 Ca 0.28 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.76 3hr0 h ASP 705 Cb -0.12 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 40.86 3hr0 h ASP 705 CO -0.06 0.35 0.04 0.11 -2.88 0.00 0.00 179.24 176.80 3hr0 h LYS 706 N 0.70 0.16 -0.21 0.28 1.57 -1.08 -1.64 116.57 116.34 3hr0 h LYS 706 Ca 0.32 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 59.09 3hr0 h LYS 706 Cb 0.24 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3hr0 h LYS 706 CO -0.20 0.29 0.10 0.93 -0.57 0.00 0.00 179.45 179.99 3hr0 h GLU 707 N -0.00 0.21 -0.39 3.15 5.08 -0.79 -1.46 114.58 120.38 3hr0 h GLU 707 Ca 0.03 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3hr0 h GLU 707 Cb 0.19 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3hr0 h GLU 707 CO -0.00 0.14 0.21 1.25 -1.00 0.00 0.00 179.01 179.61 3hr0 h LEU 708 N 0.22 0.49 -0.95 1.33 5.85 -0.55 -1.58 115.31 120.11 3hr0 h LEU 708 Ca 0.09 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3hr0 h LEU 708 Cb 0.03 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3hr0 h LEU 708 CO -0.06 0.44 0.45 0.03 -0.34 0.00 0.00 178.44 178.96 3hr0 h ARG 709 N 0.50 1.19 -0.41 1.25 3.08 -1.19 -0.93 114.38 117.88 3hr0 h ARG 709 Ca 0.14 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3hr0 h ARG 709 Cb 0.06 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 3hr0 h ARG 709 CO -0.02 0.88 0.18 0.77 -1.07 0.00 0.00 179.97 180.71 3hr0 h SER 710 N 1.19 0.55 -0.21 7.04 0.02 -1.07 -0.39 113.55 120.69 3hr0 h SER 710 Ca 0.30 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 3hr0 h SER 710 Cb 0.05 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 3hr0 h SER 710 CO -0.05 0.54 0.11 0.25 -1.14 0.00 0.00 176.83 176.55 3hr0 h LEU 711 N 0.52 0.26 -0.65 5.07 5.85 -0.98 -1.08 115.31 124.30 3hr0 h LEU 711 Ca 0.14 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 3hr0 h LEU 711 Cb 0.15 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3hr0 h LEU 711 CO -0.01 0.27 0.27 0.40 -0.34 0.00 0.00 178.44 179.03 3hr0 h ILE 712 N 0.23 1.23 -0.56 4.05 2.04 -1.15 -0.52 117.51 122.83 3hr0 h ILE 712 Ca 0.07 -0.71 0.06 0.00 1.00 0.00 0.00 64.86 65.28 3hr0 h ILE 712 Cb 0.07 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.58 3hr0 h ILE 712 CO -0.01 0.29 0.27 0.00 0.00 0.00 0.00 178.15 178.70 3hr0 h ALA 713 N 1.12 0.73 0.23 1.87 0.00 -0.87 0.14 119.26 122.48 3hr0 h ALA 713 Ca 0.22 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3hr0 h ALA 713 Cb 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hr0 h ALA 713 CO -0.02 -0.09 -0.11 -0.92 0.00 0.00 0.00 179.25 178.11 3hr0 h TYR 714 N 0.52 -0.29 -0.17 0.00 3.20 -0.81 -3.18 116.97 116.24 3hr0 h TYR 714 Ca 0.26 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 3hr0 h TYR 714 Cb 0.20 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 3hr0 h TYR 714 CO -0.11 -0.05 0.01 -0.07 -1.64 0.00 0.00 178.16 176.30 3hr0 h LEU 715 N -0.50 0.21 -1.77 2.82 3.38 -0.80 -1.23 115.31 117.43 3hr0 h LEU 715 Ca -0.03 -0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.04 3hr0 h LEU 715 Cb 0.37 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3hr0 h LEU 715 CO 0.05 0.25 0.39 0.74 0.09 0.00 0.00 178.44 179.96 3hr0 h THR 716 N 0.24 0.82 0.00 0.22 2.02 -0.71 -1.02 112.91 114.48 3hr0 h THR 716 Ca 0.06 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3hr0 h THR 716 Cb 0.15 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3hr0 h THR 716 CO 0.00 0.04 0.00 0.35 0.37 0.00 0.00 175.52 176.29 3hr0 n THR 717 N -4.44 0.46 0.13 3.16 -2.24 -0.46 -3.54 114.28 107.34 3hr0 n THR 717 Ca 0.10 -0.01 0.02 0.00 -2.27 0.00 0.00 64.05 61.89 3hr0 n THR 717 Cb 0.47 -0.70 0.02 0.00 -2.10 0.00 0.00 70.33 68.01 3hr0 n THR 717 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3hr0 n VAL 718 N -1.82 0.04 -4.11 2.28 0.24 -0.42 -5.07 118.33 109.47 3hr0 n VAL 718 Ca 0.05 -0.52 -0.07 0.00 -2.04 0.00 0.00 64.34 61.77 3hr0 n VAL 718 Cb 0.32 1.05 -0.02 0.00 -1.47 0.00 0.00 33.84 33.71 3hr0 n VAL 718 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3hr0 n THR 719 N 0.18 0.00 -2.53 3.34 5.66 -0.97 -4.83 114.28 115.12 3hr0 n THR 719 Ca 0.02 -0.74 -0.24 0.00 -3.05 0.00 0.00 64.05 60.04 3hr0 n THR 719 Cb 0.09 0.33 0.12 0.00 -1.55 0.00 0.00 70.33 69.32 3hr0 n THR 719 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3hr0 s THR 720 N -2.27 2.09 0.66 1.09 -4.23 -1.26 -4.86 115.64 106.87 3hr0 s THR 720 Ca 0.10 -0.54 0.34 0.00 -1.18 0.00 0.00 61.69 60.40 3hr0 s THR 720 Cb 0.00 -2.55 0.34 0.00 1.34 0.00 0.00 72.50 71.63 3hr0 s THR 720 CO 0.07 0.00 2.03 4.11 -0.54 0.00 0.00 174.62 180.29 3hr0 h TRP 721 N -0.65 0.00 0.00 3.99 5.08 -2.00 -2.48 115.95 119.89 3hr0 h TRP 721 Ca -0.37 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.60 3hr0 h TRP 721 Cb 1.26 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.42 3hr0 h TRP 721 CO -0.31 0.00 0.00 0.25 -1.28 0.00 0.00 178.44 177.10 3hr0 n THR 722 N -2.93 1.58 -0.17 0.12 -2.24 -1.26 -1.98 114.28 107.40 3hr0 n THR 722 Ca -0.02 0.50 0.16 0.00 -2.27 0.00 0.00 64.05 62.41 3hr0 n THR 722 Cb 0.30 -1.45 0.51 0.00 -2.10 0.00 0.00 70.33 67.59 3hr0 n THR 722 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 3hr0 h ILE 723 N 0.00 0.78 -0.62 2.28 2.10 -1.83 -1.15 117.51 119.07 3hr0 h ILE 723 Ca 0.00 -0.14 -0.02 0.00 1.08 0.00 0.00 64.86 65.79 3hr0 h ILE 723 Cb 0.06 0.35 -0.03 0.00 -1.09 0.00 0.00 36.82 36.11 3hr0 h ILE 723 CO 0.00 0.07 0.32 0.03 -1.08 0.00 0.00 178.15 177.49 3hr0 h ARG 724 N 0.40 0.88 -0.29 2.19 3.08 -1.68 -0.68 114.38 118.27 3hr0 h ARG 724 Ca 0.38 -0.12 -0.18 0.00 0.07 0.00 0.00 59.98 60.13 3hr0 h ARG 724 Cb 0.90 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 3hr0 h ARG 724 CO -0.12 0.69 -0.52 -0.44 -1.07 0.00 0.00 179.97 178.51 3hr0 h ASP 725 N 0.85 0.92 -0.33 7.04 3.32 -1.53 -2.16 116.42 124.52 3hr0 h ASP 725 Ca 0.22 -0.48 -0.02 0.00 0.02 0.00 0.00 57.03 56.77 3hr0 h ASP 725 Cb 0.08 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 3hr0 h ASP 725 CO -0.03 1.26 0.15 0.11 -1.72 0.00 0.00 179.24 179.01 3hr0 h LYS 726 N 0.64 0.53 -0.65 3.56 1.57 -0.88 -2.45 116.57 118.90 3hr0 h LYS 726 Ca 0.02 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3hr0 h LYS 726 Cb 1.11 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.32 3hr0 h LYS 726 CO 0.11 0.45 0.00 1.19 -0.57 0.00 0.00 179.45 180.63 3hr0 n PHE 727 N -4.38 0.87 -0.24 -1.35 3.01 -0.30 -4.56 117.46 110.51 3hr0 n PHE 727 Ca 0.02 -0.44 -0.05 0.00 1.01 0.00 0.00 57.45 57.99 3hr0 n PHE 727 Cb 0.14 -0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.66 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 4.36 0.85 -0.08 4.37 0.00 -0.88 -0.54 119.26 127.35 3hr0 h ALA 728 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hr0 h ALA 728 Cb 0.99 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3hr0 h ALA 728 CO 0.00 0.29 0.05 0.00 0.00 0.00 0.00 179.25 179.58 3hr0 h ARG 729 N 0.91 0.10 -0.86 0.00 3.08 -1.80 -1.54 114.38 114.27 3hr0 h ARG 729 Ca 0.25 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.32 3hr0 h ARG 729 Cb -0.10 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 29.88 3hr0 h ARG 729 CO -0.05 0.09 0.56 -0.07 -1.07 0.00 0.00 179.97 179.43 3hr0 h LEU 730 N 0.08 0.92 -0.87 3.04 3.38 -1.81 0.11 115.31 120.17 3hr0 h LEU 730 Ca 0.03 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3hr0 h LEU 730 Cb 0.01 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3hr0 h LEU 730 CO -0.01 0.63 0.18 0.28 0.09 0.00 0.00 178.44 179.62 3hr0 h SER 731 N 1.08 0.95 -0.40 -0.43 0.02 -0.92 0.27 113.55 114.12 3hr0 h SER 731 Ca 0.34 -0.18 -0.12 0.00 -0.84 0.00 0.00 61.79 61.00 3hr0 h SER 731 Cb 0.01 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 3hr0 h SER 731 CO -0.12 0.91 -0.18 1.56 -1.14 0.00 0.00 176.83 177.86 3hr0 h GLN 732 N 0.98 0.88 -0.80 3.45 4.20 -0.96 -1.46 115.11 121.41 3hr0 h GLN 732 Ca 0.21 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3hr0 h GLN 732 Cb 0.31 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 3hr0 h GLN 732 CO -0.00 0.99 0.51 0.52 -0.67 0.00 0.00 178.83 180.17 3hr0 h MET 733 N 0.78 1.06 -0.81 1.46 2.86 -0.41 -2.20 114.93 117.66 3hr0 h MET 733 Ca 0.11 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 3hr0 h MET 733 Cb 0.71 -0.23 -0.04 0.00 0.06 0.00 0.00 31.60 32.10 3hr0 h MET 733 CO 0.05 0.72 0.39 0.00 1.06 0.00 0.00 176.91 179.14 3hr0 h ALA 734 N 1.28 1.05 -0.36 6.32 0.00 -0.65 -0.69 119.26 126.20 3hr0 h ALA 734 Ca 0.29 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3hr0 h ALA 734 Cb -0.09 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 17.32 3hr0 h ALA 734 CO -0.06 0.61 0.01 1.15 0.00 0.00 0.00 179.25 180.96 3hr0 h THR 735 N 1.15 0.74 -0.43 0.00 2.02 -0.93 -1.43 112.91 114.04 3hr0 h THR 735 Ca 0.28 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.40 3hr0 h THR 735 Cb 0.12 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3hr0 h THR 735 CO -0.03 0.02 0.19 0.40 0.37 0.00 0.00 175.52 176.46 3hr0 h ILE 736 N 0.11 1.19 0.00 3.11 2.04 -0.97 -2.32 117.51 120.67 3hr0 h ILE 736 Ca 0.17 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3hr0 h ILE 736 Cb 0.24 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3hr0 h ILE 736 CO -0.28 0.21 0.00 0.18 0.00 0.00 0.00 178.15 178.26 3hr0 n LEU 737 N -4.64 0.00 -0.80 1.44 4.77 -0.30 -2.09 117.00 115.37 3hr0 n LEU 737 Ca 0.00 0.46 0.08 0.00 -0.03 0.00 0.00 56.01 56.52 3hr0 n LEU 737 Cb 0.13 -0.46 0.16 0.00 -2.33 0.00 0.00 43.42 40.92 3hr0 n LEU 737 CO 0.37 -0.24 0.61 0.59 -1.33 0.00 0.00 177.39 177.39 3hr0 n ASN 738 N -1.46 2.92 -4.76 -1.43 3.02 -0.57 -4.18 115.26 108.81 3hr0 n ASN 738 Ca 0.04 -1.87 -0.38 0.00 -0.03 0.00 0.00 54.58 52.35 3hr0 n ASN 738 Cb 0.15 -0.20 0.02 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.12 3.90 0.13 3.41 1.43 -0.89 -4.96 118.68 120.58 3hr0 s LEU 739 Ca 0.27 2.54 0.01 0.00 -1.03 0.00 0.00 54.13 55.93 3hr0 s LEU 739 Cb 0.16 -4.29 -0.13 0.00 0.03 0.00 0.00 46.19 41.95 3hr0 s LEU 739 CO 0.21 -1.31 1.29 -0.33 0.23 0.00 0.00 176.35 176.44 3hr0 h GLU 740 N 1.63 0.17 -3.57 1.70 4.39 -1.94 -3.48 114.58 113.49 3hr0 h GLU 740 Ca -0.50 -0.24 -0.09 0.00 0.34 0.00 0.00 59.36 58.87 3hr0 h GLU 740 Cb 1.28 0.08 -0.15 0.00 -0.10 0.00 0.00 28.75 29.86 3hr0 h GLU 740 CO 0.58 1.04 -0.29 1.03 -1.16 0.00 0.00 179.01 180.21 3hr0 s ARG 741 N -2.94 0.85 0.19 2.33 0.52 -1.26 -5.06 118.95 113.57 3hr0 s ARG 741 Ca -0.02 -0.74 -0.13 0.00 -0.52 0.00 0.00 55.73 54.31 3hr0 s ARG 741 Cb 0.09 0.36 0.21 0.00 0.52 0.00 0.00 34.95 36.13 3hr0 s ARG 741 CO 0.84 -0.28 1.67 0.28 0.02 0.00 0.00 175.30 177.84 3hr0 h VAL 742 N 2.93 0.57 0.00 3.52 2.07 -1.97 -1.83 116.25 121.53 3hr0 h VAL 742 Ca -0.33 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3hr0 h VAL 742 Cb 1.21 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3hr0 h VAL 742 CO 0.51 0.02 0.00 0.71 0.02 0.00 0.00 177.57 178.83 3hr0 h THR 743 N 0.11 0.00 0.00 2.57 1.35 -1.97 -2.51 112.91 112.45 3hr0 h THR 743 Ca 0.27 -0.21 -0.01 0.00 -0.55 0.00 0.00 66.41 65.92 3hr0 h THR 743 Cb 0.42 1.04 -0.00 0.00 -1.73 0.00 0.00 68.15 67.87 3hr0 h THR 743 CO -0.46 0.00 -0.03 -0.08 -0.25 0.00 0.00 175.52 174.71 3hr0 h GLU 744 N 0.00 0.00 -0.15 4.72 4.81 -1.75 -1.93 114.58 120.28 3hr0 h GLU 744 Ca 0.00 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3hr0 h GLU 744 Cb 0.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3hr0 h GLU 744 CO 0.00 0.03 0.11 0.97 -0.73 0.00 0.00 179.01 179.39 3hr0 h ILE 745 N 0.00 0.87 0.00 2.32 6.09 -1.62 -1.43 117.51 123.74 3hr0 h ILE 745 Ca -0.00 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.47 3hr0 h ILE 745 Cb 0.12 0.92 -0.00 0.00 0.47 0.00 0.00 36.82 38.33 3hr0 h ILE 745 CO 0.00 0.00 -0.07 -0.07 -3.07 0.00 0.00 178.15 174.94 3hr0 h LEU 746 N 0.00 0.00 -1.33 2.19 3.38 -1.59 -0.60 115.31 117.36 3hr0 h LEU 746 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hr0 h LEU 746 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3hr0 h LEU 746 CO -0.00 0.07 0.00 0.44 0.09 0.00 0.00 178.44 179.04 3hr0 h ASP 747 N 0.00 0.00 0.00 -0.43 3.32 -1.43 -3.25 116.42 114.63 3hr0 h ASP 747 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hr0 h ASP 747 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3hr0 h ASP 747 CO 0.01 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.31 3hr0 n TYR 748 N -2.51 0.00 -4.22 4.55 4.01 -0.28 -4.76 117.16 113.95 3hr0 n TYR 748 Ca 0.00 -0.08 -0.31 0.00 -0.16 0.00 0.00 57.90 57.36 3hr0 n TYR 748 Cb 0.17 -0.01 -0.09 0.00 -0.31 0.00 0.00 39.34 39.10 3hr0 n TYR 748 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 3hr0 s TRP 749 N -0.15 2.90 0.00 -0.72 -0.11 -0.94 -3.58 118.94 116.35 3hr0 s TRP 749 Ca 0.00 -0.06 0.00 0.00 1.22 0.00 0.00 56.10 57.26 3hr0 s TRP 749 Cb 0.00 -1.53 0.00 0.00 -1.50 0.00 0.00 33.47 30.44 3hr0 s TRP 749 CO 0.00 0.45 0.00 0.41 -4.62 0.00 0.00 176.95 173.19 3hr0 n GLY 750 N 0.82 3.47 0.29 5.86 0.00 -1.26 -1.13 105.19 113.24 3hr0 n GLY 750 Ca -0.13 0.23 0.14 0.00 0.00 0.00 0.00 46.02 46.27 3hr0 n GLY 750 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hr0 h PRO 751 N 0.00 0.00 -0.27 1.61 0.13 -1.94 -2.27 132.00 129.25 3hr0 h PRO 751 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3hr0 h PRO 751 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3hr0 h PRO 751 CO 0.00 0.04 0.00 0.09 -0.23 0.00 0.00 178.00 177.90 3hr0 n ASN 752 N -3.77 1.98 -0.25 1.44 3.02 -0.28 -4.25 115.26 113.15 3hr0 n ASN 752 Ca -0.03 -1.84 -0.01 0.00 -0.03 0.00 0.00 54.58 52.68 3hr0 n ASN 752 Cb 0.13 -0.18 0.20 0.00 -0.61 0.00 0.00 39.78 39.33 3hr0 n ASN 752 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3hr0 h SER 753 N 2.43 0.93 0.00 6.41 0.02 -1.46 -3.38 113.55 118.50 3hr0 h SER 753 Ca 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3hr0 h SER 753 Cb 0.54 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3hr0 h SER 753 CO 0.00 0.70 0.00 0.61 -1.14 0.00 0.00 176.83 177.00 3hr0 n GLY 754 N -1.35 3.27 0.13 -3.77 0.00 -1.26 -2.58 105.19 99.63 3hr0 n GLY 754 Ca 0.09 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.09 3hr0 n GLY 754 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hr0 h PRO 755 N 0.00 0.00 -6.38 1.61 0.13 -1.99 -3.46 132.00 121.92 3hr0 h PRO 755 Ca 0.00 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.59 3hr0 h PRO 755 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 3hr0 h PRO 755 CO 0.00 0.00 0.46 -1.17 -0.23 0.00 0.00 178.00 177.06 3hr0 s LEU 756 N -4.85 4.34 -0.37 1.56 2.96 -1.07 -5.03 118.68 116.23 3hr0 s LEU 756 Ca 0.08 1.68 -0.13 0.00 -0.22 0.00 0.00 54.13 55.55 3hr0 s LEU 756 Cb 0.11 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 43.23 3hr0 s LEU 756 CO 0.57 -0.35 0.24 -0.89 -1.32 0.00 0.00 176.35 174.61 3hr0 s THR 757 N 1.31 5.06 0.38 3.68 2.01 -1.26 -4.80 115.64 122.02 3hr0 s THR 757 Ca 0.52 -0.52 -0.27 0.00 0.31 0.00 0.00 61.69 61.73 3hr0 s THR 757 Cb -0.22 -3.72 -0.10 0.00 0.01 0.00 0.00 72.50 68.48 3hr0 s THR 757 CO 0.26 -0.15 1.37 0.26 -0.69 0.00 0.00 174.62 175.66 3hr0 s TRP 758 N 1.66 2.79 -0.64 4.92 0.52 -1.26 -4.91 118.94 122.02 3hr0 s TRP 758 Ca 0.05 1.33 0.07 0.00 0.02 0.00 0.00 56.10 57.57 3hr0 s TRP 758 Cb -0.18 -3.80 0.18 0.00 -1.15 0.00 0.00 33.47 28.53 3hr0 s TRP 758 CO 0.09 -2.35 1.12 0.54 0.02 0.00 0.00 176.95 176.37 3hr0 n ARG 759 N 0.40 2.59 -4.48 4.98 5.12 -1.26 -4.96 116.66 119.06 3hr0 n ARG 759 Ca 0.02 -1.76 -0.34 0.00 -1.93 0.00 0.00 57.85 53.84 3hr0 n ARG 759 Cb 0.42 -1.17 -0.11 0.00 -1.16 0.00 0.00 32.46 30.43 3hr0 n ARG 759 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3hr0 s LEU 760 N -0.96 3.29 0.72 0.55 1.43 -1.26 -4.96 118.68 117.50 3hr0 s LEU 760 Ca 0.14 -0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.11 3hr0 s LEU 760 Cb 0.08 -1.75 0.03 0.00 0.03 0.00 0.00 46.19 44.57 3hr0 s LEU 760 CO 0.10 0.29 1.07 0.42 0.23 0.00 0.00 176.35 178.46 3hr0 s THR 761 N -0.35 3.77 0.26 5.49 -4.23 -1.26 -4.80 115.64 114.53 3hr0 s THR 761 Ca 0.06 0.58 -0.02 0.00 -1.18 0.00 0.00 61.69 61.12 3hr0 s THR 761 Cb -0.12 -3.25 0.28 0.00 1.34 0.00 0.00 72.50 70.74 3hr0 s THR 761 CO 0.02 -0.75 1.66 -0.65 -0.54 0.00 0.00 174.62 174.36 3hr0 h PRO 762 N -0.86 0.20 -0.67 3.99 0.11 -1.99 0.12 132.00 132.91 3hr0 h PRO 762 Ca -0.44 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 3hr0 h PRO 762 Cb 1.22 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 3hr0 h PRO 762 CO 0.56 0.14 0.40 0.00 -0.21 0.00 0.00 178.00 178.88 3hr0 h ALA 763 N 1.71 0.85 -0.65 -0.75 0.00 -1.99 -1.26 119.26 117.17 3hr0 h ALA 763 Ca 0.47 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 3hr0 h ALA 763 Cb 0.89 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3hr0 h ALA 763 CO -0.61 0.33 0.09 0.93 0.00 0.00 0.00 179.25 179.99 3hr0 h GLU 764 N 0.91 1.08 -0.16 0.00 5.08 -1.63 -0.45 114.58 119.41 3hr0 h GLU 764 Ca 0.24 -0.29 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3hr0 h GLU 764 Cb -0.03 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3hr0 h GLU 764 CO -0.04 1.00 0.01 0.28 -1.00 0.00 0.00 179.01 179.25 3hr0 h VAL 765 N 1.01 0.90 -0.97 3.13 2.07 -0.42 -0.50 116.25 121.46 3hr0 h VAL 765 Ca 0.20 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.70 3hr0 h VAL 765 Cb 0.46 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 3hr0 h VAL 765 CO 0.02 0.01 0.63 0.03 0.02 0.00 0.00 177.57 178.27 3hr0 h ARG 766 N 0.06 1.28 -0.51 1.57 3.08 -1.06 -0.39 114.38 118.41 3hr0 h ARG 766 Ca 0.07 -0.09 0.03 0.00 0.07 0.00 0.00 59.98 60.06 3hr0 h ARG 766 Cb 0.09 -0.28 -0.04 0.00 0.08 0.00 0.00 29.97 29.81 3hr0 h ARG 766 CO -0.12 0.86 0.29 0.37 -1.07 0.00 0.00 179.97 180.30 3hr0 h GLN 767 N 1.32 0.56 -0.28 0.04 4.15 -0.67 -1.92 115.11 118.31 3hr0 h GLN 767 Ca 0.35 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.64 3hr0 h GLN 767 Cb -0.13 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.43 3hr0 h GLN 767 CO -0.07 0.37 -0.22 0.28 -1.93 0.00 0.00 178.83 177.26 3hr0 h VAL 768 N 0.58 1.30 -0.95 2.39 2.07 -0.73 -2.94 116.25 117.98 3hr0 h VAL 768 Ca 0.21 -1.36 0.14 0.00 0.82 0.00 0.00 66.70 66.51 3hr0 h VAL 768 Cb 0.05 1.56 -0.08 0.00 -1.52 0.00 0.00 31.29 31.30 3hr0 h VAL 768 CO -0.11 0.43 0.60 -0.07 0.02 0.00 0.00 177.57 178.45 3hr0 h LEU 769 N 0.39 0.78 -1.66 2.57 3.38 -0.99 -0.45 115.31 119.33 3hr0 h LEU 769 Ca 0.05 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3hr0 h LEU 769 Cb 0.77 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3hr0 h LEU 769 CO 0.06 0.39 0.00 0.00 0.09 0.00 0.00 178.44 178.97 3hr0 h ALA 770 N 1.58 1.00 0.00 1.53 0.00 -1.16 -1.91 119.26 120.30 3hr0 h ALA 770 Ca 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 3hr0 h ALA 770 Cb 0.66 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3hr0 h ALA 770 CO -0.25 0.00 -0.08 -0.07 0.00 0.00 0.00 179.25 178.85 3hr0 h LEU 771 N 0.00 0.00 -8.83 0.00 3.38 -1.01 -3.41 115.31 105.43 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 0.33 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 3hr0 h LEU 771 CO 0.00 0.08 0.90 -0.13 0.09 0.00 0.00 178.44 179.38 3hr0 s ARG 772 N -3.89 3.88 0.55 1.13 1.81 -0.72 -1.07 118.95 120.63 3hr0 s ARG 772 Ca -0.01 0.83 0.35 0.00 -1.72 0.00 0.00 55.73 55.18 3hr0 s ARG 772 Cb 0.11 -3.84 1.58 0.00 -0.45 0.00 0.00 34.95 32.35 3hr0 s ARG 772 CO 0.55 -1.17 2.04 0.97 -0.68 0.00 0.00 175.30 177.02 3hr0 h ILE 773 N 6.01 0.00 -0.01 1.52 2.10 -1.18 -2.00 117.51 123.96 3hr0 h ILE 773 Ca -0.22 -0.36 0.00 0.00 1.08 0.00 0.00 64.86 65.36 3hr0 h ILE 773 Cb 1.06 1.32 0.00 0.00 -1.09 0.00 0.00 36.82 38.11 3hr0 h ILE 773 CO 1.08 0.00 -0.33 -0.90 -1.08 0.00 0.00 178.15 176.92 3hr0 n ASP 774 N -2.99 0.88 -4.71 2.19 5.75 -1.26 -4.88 116.55 111.53 3hr0 n ASP 774 Ca -0.00 -0.72 -0.38 0.00 -0.01 0.00 0.00 54.79 53.68 3hr0 n ASP 774 Cb 0.24 0.17 -0.07 0.00 -1.03 0.00 0.00 41.12 40.44 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 -2.64 3.46 0.05 2.11 0.08 -0.75 -5.05 117.98 115.24 3hr0 s PHE 775 Ca 0.21 0.77 -0.30 0.00 0.12 0.00 0.00 56.93 57.73 3hr0 s PHE 775 Cb 0.19 -2.52 -0.05 0.00 -0.57 0.00 0.00 43.02 40.07 3hr0 s PHE 775 CO 0.57 0.12 1.10 1.03 -0.10 0.00 0.00 175.22 177.94 3hr0 s ARG 776 N 0.83 4.50 0.28 0.44 0.52 -1.26 -4.94 118.95 119.32 3hr0 s ARG 776 Ca 0.23 1.62 0.02 0.00 -0.52 0.00 0.00 55.73 57.07 3hr0 s ARG 776 Cb -0.15 -3.39 0.65 0.00 0.52 0.00 0.00 34.95 32.59 3hr0 s ARG 776 CO 0.09 -0.14 1.71 1.03 0.02 0.00 0.00 175.30 178.01 3hr0 h SER 777 N 6.66 0.36 -0.50 0.23 0.87 -1.96 -1.65 113.55 117.56 3hr0 h SER 777 Ca -0.42 0.14 0.05 0.00 -1.23 0.00 0.00 61.79 60.33 3hr0 h SER 777 Cb 1.22 0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 63.23 3hr0 h SER 777 CO 0.78 0.06 0.23 -0.33 -0.53 0.00 0.00 176.83 177.04 3hr0 h GLU 778 N 0.45 0.44 -0.52 2.24 3.07 -1.99 -0.89 114.58 117.38 3hr0 h GLU 778 Ca 0.52 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 59.26 3hr0 h GLU 778 Cb 0.92 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.71 3hr0 h GLU 778 CO -0.48 0.29 -0.07 -0.44 -1.40 0.00 0.00 179.01 176.91 3hr0 h ASP 779 N 0.45 0.92 -0.37 1.42 3.32 -1.73 -1.15 116.42 119.29 3hr0 h ASP 779 Ca 0.23 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 56.96 3hr0 h ASP 779 Cb 0.18 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3hr0 h ASP 779 CO -0.19 1.02 0.08 0.40 -1.72 0.00 0.00 179.24 178.84 3hr0 h ILE 780 N 0.85 1.23 -0.03 0.35 2.04 -0.93 -2.88 117.51 118.13 3hr0 h ILE 780 Ca 0.14 -0.80 -0.11 0.00 1.00 0.00 0.00 64.86 65.10 3hr0 h ILE 780 Cb 0.60 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 3hr0 h ILE 780 CO 0.04 0.27 -0.49 0.11 0.00 0.00 0.00 178.15 178.08 3hr0 h LYS 781 N 0.45 0.07 -0.74 2.37 1.57 -1.07 -2.98 116.57 116.24 3hr0 h LYS 781 Ca 0.11 -0.04 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3hr0 h LYS 781 Cb 0.33 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.59 3hr0 h LYS 781 CO 0.00 0.55 0.45 -0.09 -0.57 0.00 0.00 179.45 179.80 3hr0 h ARG 782 N 0.06 0.83 -6.18 3.15 2.43 -1.00 -3.45 114.38 110.22 3hr0 h ARG 782 Ca -0.00 -0.05 -0.71 0.00 -0.81 0.00 0.00 59.98 58.41 3hr0 h ARG 782 Cb 0.89 -0.19 0.06 0.00 -0.42 0.00 0.00 29.97 30.32 3hr0 h ARG 782 CO 0.07 0.55 0.24 1.28 -1.51 0.00 0.00 179.97 180.59 3hr0 n LEU 783 N -4.68 0.93 -4.36 3.80 4.32 -1.12 -4.90 117.00 110.99 3hr0 n LEU 783 Ca 0.09 1.14 -0.45 0.00 -0.02 0.00 0.00 56.01 56.77 3hr0 n LEU 783 Cb 0.13 -1.10 -0.04 0.00 -1.62 0.00 0.00 43.42 40.80 3hr0 n LEU 783 CO 0.31 -1.48 0.44 -0.13 -1.22 0.00 0.00 177.39 175.31 3hr0 s ARG 784 N 0.07 3.25 0.00 3.23 0.52 -1.26 -5.09 118.95 119.67 3hr0 s ARG 784 Ca 0.83 -1.74 0.19 0.00 -0.52 0.00 0.00 55.73 54.49 3hr0 s ARG 784 Cb -1.03 -4.40 0.15 0.00 0.52 0.00 0.00 34.95 30.19 3hr0 s ARG 784 CO 0.52 -1.47 1.11 1.28 0.02 0.00 0.00 175.30 176.76