#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hr4 s ILE 513 N 0.00 3.37 0.99 3.84 -0.00 -1.26 -5.11 121.20 123.04 3hr4 s ILE 513 Ca 0.00 -1.40 -0.22 0.00 -0.00 0.00 0.00 60.65 59.03 3hr4 s ILE 513 Cb 0.00 -2.99 -0.07 0.00 -0.00 0.00 0.00 42.46 39.39 3hr4 s ILE 513 CO 0.00 -0.24 -0.88 -2.65 -0.00 0.00 0.00 174.94 171.17 3hr4 n PRO 514 N 4.70 -0.61 0.04 0.37 -0.02 -1.26 -4.80 135.00 133.42 3hr4 n PRO 514 Ca -0.11 -0.17 -0.20 0.00 -2.02 0.00 0.00 63.50 61.00 3hr4 n PRO 514 Cb 0.43 -1.22 -0.11 0.00 -0.02 0.00 0.00 33.50 32.58 3hr4 n PRO 514 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3hr4 h LEU 515 N -1.50 0.77 -1.30 2.45 6.46 -1.99 -3.17 115.31 117.03 3hr4 h LEU 515 Ca -0.39 -0.77 0.02 0.00 -0.12 0.00 0.00 57.88 56.62 3hr4 h LEU 515 Cb 1.23 -0.24 -0.04 0.00 -0.73 0.00 0.00 40.66 40.88 3hr4 h LEU 515 CO 0.24 1.45 0.49 0.11 -0.62 0.00 0.00 178.44 180.10 3hr4 h LYS 516 N 0.18 0.91 -0.09 1.25 6.56 -1.98 0.24 116.57 123.64 3hr4 h LYS 516 Ca -0.13 -0.05 -0.04 0.00 -1.06 0.00 0.00 60.65 59.37 3hr4 h LYS 516 Cb 1.62 -0.20 -0.01 0.00 -0.57 0.00 0.00 32.23 33.07 3hr4 h LYS 516 CO 0.18 0.60 -0.13 0.28 -2.06 0.00 0.00 179.45 178.32 3hr4 h VAL 517 N 0.93 1.15 0.00 0.50 2.07 -1.90 0.49 116.25 119.49 3hr4 h VAL 517 Ca 0.29 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 3hr4 h VAL 517 Cb -0.00 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3hr4 h VAL 517 CO -0.08 0.20 -0.00 0.25 0.02 0.00 0.00 177.57 177.97 3hr4 h LEU 518 N 0.13 -0.00 -1.47 2.57 5.85 -0.96 -3.00 115.31 118.43 3hr4 h LEU 518 Ca 0.03 0.00 0.27 0.00 0.84 0.00 0.00 57.88 59.02 3hr4 h LEU 518 Cb 0.33 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.27 3hr4 h LEU 518 CO 0.02 0.44 0.69 1.62 -0.34 0.00 0.00 178.44 180.86 3hr4 h VAL 519 N -0.88 0.52 -0.53 1.05 3.04 -0.61 0.66 116.25 119.50 3hr4 h VAL 519 Ca -0.00 -0.11 -0.05 0.00 -1.01 0.00 0.00 66.70 65.53 3hr4 h VAL 519 Cb 0.00 0.16 -0.02 0.00 -2.01 0.00 0.00 31.29 29.42 3hr4 h VAL 519 CO 0.00 0.06 0.13 0.11 -1.01 0.00 0.00 177.57 176.87 3hr4 h LYS 520 N 0.33 0.84 0.15 4.17 1.57 -1.00 0.12 116.57 122.75 3hr4 h LYS 520 Ca 0.58 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 59.15 3hr4 h LYS 520 Cb 1.59 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.78 3hr4 h LYS 520 CO -0.24 0.80 -0.07 0.00 -0.57 0.00 0.00 179.45 179.36 3hr4 h ALA 521 N 1.01 -0.20 -0.28 3.86 0.00 0.40 -1.39 119.26 122.66 3hr4 h ALA 521 Ca 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hr4 h ALA 521 Cb 0.33 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hr4 h ALA 521 CO 0.00 -0.60 0.16 -0.24 0.00 0.00 0.00 179.25 178.58 3hr4 h VAL 522 N -0.22 1.08 0.07 0.00 3.04 -0.96 -1.72 116.25 117.55 3hr4 h VAL 522 Ca -0.02 -0.20 0.02 0.00 -1.01 0.00 0.00 66.70 65.49 3hr4 h VAL 522 Cb 0.17 0.69 -0.03 0.00 -2.01 0.00 0.00 31.29 30.12 3hr4 h VAL 522 CO 0.03 0.09 -0.17 0.25 -1.01 0.00 0.00 177.57 176.76 3hr4 h LEU 523 N 0.38 -0.48 -0.92 3.16 6.46 0.19 -1.37 115.31 122.73 3hr4 h LEU 523 Ca 0.10 0.06 0.10 0.00 -0.12 0.00 0.00 57.88 58.02 3hr4 h LEU 523 Cb -0.01 0.19 -0.08 0.00 -0.73 0.00 0.00 40.66 40.03 3hr4 h LEU 523 CO -0.02 -0.24 0.56 0.15 -0.62 0.00 0.00 178.44 178.27 3hr4 h PHE 524 N -0.31 1.03 0.00 1.25 3.57 -0.42 -0.31 116.94 121.74 3hr4 h PHE 524 Ca 0.03 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 3hr4 h PHE 524 Cb 0.35 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 3hr4 h PHE 524 CO -0.19 0.44 -0.14 0.00 -2.23 0.00 0.00 178.31 176.18 3hr4 h ALA 525 N 1.48 1.11 0.17 2.41 0.00 -0.72 -2.89 119.26 120.82 3hr4 h ALA 525 Ca 0.44 -0.13 -0.32 0.00 0.00 0.00 0.00 54.91 54.90 3hr4 h ALA 525 Cb 0.37 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.15 3hr4 h ALA 525 CO -0.24 0.18 -1.54 0.00 0.00 0.00 0.00 179.25 177.65 3hr4 h MET 527 N 0.10 -0.57 -0.71 0.00 2.07 -1.12 0.64 114.93 115.34 3hr4 h MET 527 Ca -0.26 0.04 0.13 0.00 -2.07 0.00 0.00 59.70 57.54 3hr4 h MET 527 Cb 2.07 0.13 -0.09 0.00 -1.87 0.00 0.00 31.60 31.84 3hr4 h MET 527 CO 0.20 -0.38 0.28 -0.07 1.07 0.00 0.00 176.91 178.01 3hr4 h LEU 528 N -0.59 0.27 -0.32 1.22 3.38 -1.64 -1.48 115.31 116.15 3hr4 h LEU 528 Ca 0.00 0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 3hr4 h LEU 528 Cb 0.61 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 3hr4 h LEU 528 CO -0.28 0.12 -0.35 -0.03 0.09 0.00 0.00 178.44 177.99 3hr4 h MET 529 N 0.44 0.80 -0.40 1.13 4.05 -0.93 -2.70 114.93 117.33 3hr4 h MET 529 Ca 0.38 -0.44 0.02 0.00 -0.28 0.00 0.00 59.70 59.38 3hr4 h MET 529 Cb 0.54 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.34 3hr4 h MET 529 CO -0.37 1.07 0.24 -0.09 0.23 0.00 0.00 176.91 177.98 3hr4 h ARG 530 N 0.58 0.46 0.00 0.39 2.43 0.78 -2.81 114.38 116.21 3hr4 h ARG 530 Ca 0.05 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3hr4 h ARG 530 Cb 0.94 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 3hr4 h ARG 530 CO 0.09 0.31 0.00 1.17 -1.51 0.00 0.00 179.97 180.02 3hr4 n LYS 531 N -4.86 0.00 0.00 0.20 0.00 -0.60 -0.62 118.16 112.28 3hr4 n LYS 531 Ca 0.01 0.46 0.00 0.00 0.00 0.00 0.00 58.31 58.78 3hr4 n LYS 531 Cb 0.06 -1.29 0.00 0.00 0.00 0.00 0.00 35.03 33.79 3hr4 n LYS 531 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3hr4 n THR 532 N -1.64 0.00 -0.08 3.15 -2.24 -1.03 -0.92 114.28 111.53 3hr4 n THR 532 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 3hr4 n THR 532 Cb 0.00 -0.28 -0.05 0.00 -2.10 0.00 0.00 70.33 67.89 3hr4 n THR 532 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 3hr4 n MET 533 N -0.11 0.38 0.32 -0.78 0.00 -0.70 -4.12 117.12 112.10 3hr4 n MET 533 Ca 0.00 0.16 0.19 0.00 -0.00 0.00 0.00 57.70 58.05 3hr4 n MET 533 Cb 0.01 -1.14 1.01 0.00 0.00 0.00 0.00 33.22 33.10 3hr4 n MET 533 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3hr4 h ALA 534 N -0.66 1.25 -0.40 -5.12 0.00 0.10 0.53 119.26 114.96 3hr4 h ALA 534 Ca -0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3hr4 h ALA 534 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3hr4 h ALA 534 CO -0.20 -0.17 0.00 -1.13 0.00 0.00 0.00 179.25 177.75 3hr4 n SER 535 N -3.10 3.48 -4.84 0.00 3.41 -1.09 -4.95 113.62 106.53 3hr4 n SER 535 Ca -0.02 -1.99 -0.32 0.00 -0.26 0.00 0.00 58.87 56.28 3hr4 n SER 535 Cb 0.23 -0.26 -0.05 0.00 -0.26 0.00 0.00 64.21 63.87 3hr4 n SER 535 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3hr4 s ARG 536 N -1.46 4.05 -0.27 4.33 3.52 0.19 -5.01 118.95 124.31 3hr4 s ARG 536 Ca 0.39 0.95 -0.29 0.00 -0.13 0.00 0.00 55.73 56.65 3hr4 s ARG 536 Cb 0.23 -2.20 0.00 0.00 -1.56 0.00 0.00 34.95 31.41 3hr4 s ARG 536 CO 0.31 -0.11 1.24 0.54 -0.81 0.00 0.00 175.30 176.48 3hr4 s VAL 537 N -2.36 4.26 0.57 7.11 0.11 -1.26 -4.74 120.40 124.08 3hr4 s VAL 537 Ca 0.59 1.46 -0.21 0.00 -2.93 0.00 0.00 61.98 60.89 3hr4 s VAL 537 Cb -0.10 -4.17 -0.05 0.00 -1.53 0.00 0.00 36.38 30.54 3hr4 s VAL 537 CO 0.23 -0.38 1.23 0.54 -3.33 0.00 0.00 175.10 173.39 3hr4 n ARG 538 N 7.03 1.38 -3.78 1.54 5.12 -1.26 -2.48 116.66 124.21 3hr4 n ARG 538 Ca 0.14 0.52 -0.13 0.00 -1.93 0.00 0.00 57.85 56.45 3hr4 n ARG 538 Cb 0.46 -2.43 -0.12 0.00 -1.16 0.00 0.00 32.46 29.21 3hr4 n ARG 538 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3hr4 s VAL 539 N -1.35 -0.00 -0.16 1.55 1.01 -1.19 -4.26 120.40 115.98 3hr4 s VAL 539 Ca 0.74 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.74 3hr4 s VAL 539 Cb -0.42 -0.35 0.02 0.00 0.00 0.00 0.00 36.38 35.63 3hr4 s VAL 539 CO 0.48 0.01 -0.18 -0.89 0.00 0.00 0.00 175.10 174.51 3hr4 s THR 540 N 0.23 1.86 -0.34 3.92 2.01 -1.22 -2.32 115.64 119.78 3hr4 s THR 540 Ca -0.01 -0.82 -0.06 0.00 0.31 0.00 0.00 61.69 61.11 3hr4 s THR 540 Cb -0.02 -1.70 0.04 0.00 0.01 0.00 0.00 72.50 70.83 3hr4 s THR 540 CO -0.00 0.51 0.11 -0.63 -0.69 0.00 0.00 174.62 173.91 3hr4 s ILE 541 N 1.32 3.79 -0.08 1.82 1.01 0.34 -1.20 121.20 128.21 3hr4 s ILE 541 Ca 0.04 -1.13 -0.10 0.00 0.00 0.00 0.00 60.65 59.46 3hr4 s ILE 541 Cb -0.13 -3.15 -0.05 0.00 0.01 0.00 0.00 42.46 39.14 3hr4 s ILE 541 CO -0.11 -0.18 0.23 -0.76 0.00 0.00 0.00 174.94 174.12 3hr4 s LEU 542 N 1.40 4.42 0.10 2.97 1.43 0.82 -0.66 118.68 129.16 3hr4 s LEU 542 Ca -0.02 0.63 0.01 0.00 -1.03 0.00 0.00 54.13 53.72 3hr4 s LEU 542 Cb -0.20 -2.25 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 3hr4 s LEU 542 CO 0.03 0.38 -0.03 0.72 0.23 0.00 0.00 176.35 177.68 3hr4 s PHE 543 N -1.03 0.81 -0.18 0.29 -0.71 -0.88 -1.25 117.98 115.04 3hr4 s PHE 543 Ca 0.18 -1.02 -0.09 0.00 -1.04 0.00 0.00 56.93 54.96 3hr4 s PHE 543 Cb -0.14 -0.49 0.06 0.00 -1.21 0.00 0.00 43.02 41.24 3hr4 s PHE 543 CO 0.07 -0.28 0.42 0.00 -1.34 0.00 0.00 175.22 174.10 3hr4 s ALA 544 N -3.78 -1.09 0.04 1.99 0.00 -1.11 -1.72 121.76 116.09 3hr4 s ALA 544 Ca 0.13 1.57 -0.09 0.00 0.00 0.00 0.00 51.96 53.57 3hr4 s ALA 544 Cb 0.07 -0.98 0.00 0.00 0.00 0.00 0.00 23.12 22.21 3hr4 s ALA 544 CO -0.04 -0.30 0.19 -0.08 0.00 0.00 0.00 175.76 175.52 3hr4 s THR 545 N 1.50 0.11 -0.17 0.00 -1.32 -1.26 -2.95 115.64 111.55 3hr4 s THR 545 Ca -0.09 -0.91 -0.15 0.00 -1.21 0.00 0.00 61.69 59.32 3hr4 s THR 545 Cb -0.08 -0.92 -0.06 0.00 -1.51 0.00 0.00 72.50 69.93 3hr4 s THR 545 CO -0.13 -0.50 -0.28 -0.62 -2.21 0.00 0.00 174.62 170.87 3hr4 n GLU 546 N 0.66 0.51 -0.06 7.08 -0.58 -1.26 -4.43 120.64 122.56 3hr4 n GLU 546 Ca -0.19 0.32 -0.22 0.00 -0.42 0.00 0.00 57.16 56.66 3hr4 n GLU 546 Cb 0.59 -1.52 -0.13 0.00 -0.57 0.00 0.00 31.44 29.81 3hr4 n GLU 546 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3hr4 h THR 547 N -1.00 0.87 0.00 2.62 1.35 -2.02 -3.50 112.91 111.23 3hr4 h THR 547 Ca -0.03 -2.25 0.00 0.00 -0.55 0.00 0.00 66.41 63.57 3hr4 h THR 547 Cb 0.87 2.38 0.00 0.00 -1.73 0.00 0.00 68.15 69.68 3hr4 h THR 547 CO -0.02 0.53 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 3hr4 n GLY 548 N 1.63 -0.77 0.22 5.82 0.00 -1.26 -5.05 105.19 105.78 3hr4 n GLY 548 Ca -0.31 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.64 3hr4 n GLY 548 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hr4 h LYS 549 N 0.00 0.53 0.00 1.61 6.56 -1.96 -2.53 116.57 120.79 3hr4 h LYS 549 Ca 0.00 -0.28 -0.01 0.00 -1.06 0.00 0.00 60.65 59.30 3hr4 h LYS 549 Cb 0.00 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 31.67 3hr4 h LYS 549 CO 0.00 0.87 -0.03 0.77 -2.06 0.00 0.00 179.45 179.00 3hr4 h SER 550 N 0.43 0.00 0.54 0.86 0.02 -1.92 -1.29 113.55 112.18 3hr4 h SER 550 Ca 0.03 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3hr4 h SER 550 Cb 0.94 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.49 3hr4 h SER 550 CO 0.08 0.03 -0.26 -0.08 -1.14 0.00 0.00 176.83 175.47 3hr4 h GLU 551 N 0.00 -0.70 -0.48 3.45 4.57 -1.82 -1.19 114.58 118.41 3hr4 h GLU 551 Ca -0.00 0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.26 3hr4 h GLU 551 Cb 0.77 0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.49 3hr4 h GLU 551 CO 0.00 -0.47 0.32 0.00 -1.18 0.00 0.00 179.01 177.69 3hr4 h ALA 552 N -1.25 1.80 0.16 2.92 0.00 -1.38 -1.92 119.26 119.61 3hr4 h ALA 552 Ca -0.07 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.54 3hr4 h ALA 552 Cb 0.56 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 18.24 3hr4 h ALA 552 CO 0.12 0.14 -1.18 -0.07 0.00 0.00 0.00 179.25 178.25 3hr4 h LEU 553 N 0.52 0.76 -1.18 0.00 3.38 -1.29 -3.04 115.31 114.45 3hr4 h LEU 553 Ca 0.20 -0.88 0.01 0.00 0.09 0.00 0.00 57.88 57.29 3hr4 h LEU 553 Cb 0.14 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3hr4 h LEU 553 CO -0.05 1.57 0.53 0.00 0.09 0.00 0.00 178.44 180.59 3hr4 h ALA 554 N 0.20 1.40 -0.22 1.53 0.00 -0.94 -0.53 119.26 120.70 3hr4 h ALA 554 Ca -0.19 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 3hr4 h ALA 554 Cb 1.90 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 3hr4 h ALA 554 CO 0.22 0.55 -0.28 -1.49 0.00 0.00 0.00 179.25 178.26 3hr4 h TRP 555 N 1.11 0.48 -0.67 0.00 6.55 -1.40 -1.97 115.95 120.05 3hr4 h TRP 555 Ca 0.30 -0.11 -0.06 0.00 0.95 0.00 0.00 58.89 59.97 3hr4 h TRP 555 Cb -0.12 -0.12 -0.03 0.00 -0.86 0.00 0.00 29.16 28.04 3hr4 h TRP 555 CO 0.00 0.67 0.17 -0.44 -1.05 0.00 0.00 178.44 177.79 3hr4 h ASP 556 N 0.38 1.00 -0.17 -3.49 5.19 -1.18 -1.74 116.42 116.40 3hr4 h ASP 556 Ca 0.05 -0.23 -0.00 0.00 -0.62 0.00 0.00 57.03 56.23 3hr4 h ASP 556 Cb 0.69 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 3hr4 h ASP 556 CO 0.05 0.97 0.10 0.25 -3.12 0.00 0.00 179.24 177.49 3hr4 h LEU 557 N 0.99 0.22 -0.10 1.55 5.85 -0.43 -1.88 115.31 121.52 3hr4 h LEU 557 Ca 0.21 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.71 3hr4 h LEU 557 Cb 0.35 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.34 3hr4 h LEU 557 CO 0.00 0.18 -0.75 1.23 -0.34 0.00 0.00 178.44 178.76 3hr4 h GLY 558 N 0.30 0.75 0.89 3.75 0.00 -0.76 -2.06 103.07 105.94 3hr4 h GLY 558 Ca 0.07 -1.13 0.04 0.00 0.00 0.00 0.00 47.33 46.30 3hr4 h GLY 558 CO -0.01 1.01 0.66 0.00 0.00 0.00 0.00 176.54 178.19 3hr4 h ALA 559 N 0.48 1.32 -0.31 3.60 0.00 -0.76 0.28 119.26 123.88 3hr4 h ALA 559 Ca -0.07 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3hr4 h ALA 559 Cb 1.40 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3hr4 h ALA 559 CO 0.15 0.56 -0.17 1.25 0.00 0.00 0.00 179.25 181.04 3hr4 h LEU 560 N 1.27 0.68 0.00 0.00 6.46 -1.35 -2.91 115.31 119.47 3hr4 h LEU 560 Ca 0.40 -0.42 0.00 0.00 -0.12 0.00 0.00 57.88 57.74 3hr4 h LEU 560 Cb -0.01 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 39.73 3hr4 h LEU 560 CO -0.12 0.95 0.00 0.49 -0.62 0.00 0.00 178.44 179.14 3hr4 n PHE 561 N -4.36 0.00 0.42 1.25 3.01 -0.77 -2.46 117.46 114.55 3hr4 n PHE 561 Ca -0.03 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.56 3hr4 n PHE 561 Cb 0.40 -0.39 0.44 0.00 -0.01 0.00 0.00 39.48 39.92 3hr4 n PHE 561 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3hr4 h SER 562 N 0.00 0.00 0.00 4.37 0.02 -0.75 -1.72 113.55 115.47 3hr4 h SER 562 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hr4 h SER 562 Cb 0.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.82 3hr4 h SER 562 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 3hr4 n ALA 564 N -0.70 0.00 -2.41 0.00 0.00 -1.21 -5.02 120.51 111.17 3hr4 n ALA 564 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.25 3hr4 n ALA 564 Cb 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.39 3hr4 n ALA 564 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3hr4 s PHE 565 N 0.00 1.77 -0.76 0.00 0.40 -0.65 -4.46 117.98 114.27 3hr4 s PHE 565 Ca 0.00 -1.48 0.03 0.00 -0.60 0.00 0.00 56.93 54.88 3hr4 s PHE 565 Cb 0.00 -0.95 0.20 0.00 0.51 0.00 0.00 43.02 42.78 3hr4 s PHE 565 CO 0.00 -0.58 0.64 -1.71 0.70 0.00 0.00 175.22 174.27 3hr4 n ASN 566 N -1.46 3.57 -4.71 1.36 2.85 -1.03 -4.41 115.26 111.43 3hr4 n ASN 566 Ca 0.00 -3.23 -0.30 0.00 -0.11 0.00 0.00 54.58 50.94 3hr4 n ASN 566 Cb 0.64 -0.84 0.14 0.00 1.24 0.00 0.00 39.78 40.95 3hr4 n ASN 566 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 3hr4 s PRO 567 N -1.64 1.26 -0.13 1.20 0.04 -1.26 -3.19 135.00 131.27 3hr4 s PRO 567 Ca 0.28 0.94 -0.04 0.00 0.04 0.00 0.00 61.00 62.22 3hr4 s PRO 567 Cb -0.02 -1.80 0.06 0.00 0.04 0.00 0.00 34.50 32.79 3hr4 s PRO 567 CO -0.13 -2.27 0.21 0.21 0.04 0.00 0.00 177.00 175.06 3hr4 s LYS 568 N -4.87 0.11 -1.21 4.56 2.47 -0.98 -4.92 119.74 114.89 3hr4 s LYS 568 Ca 0.64 0.53 -0.07 0.00 -1.56 0.00 0.00 55.97 55.51 3hr4 s LYS 568 Cb -0.19 -0.43 0.21 0.00 -1.46 0.00 0.00 37.83 35.97 3hr4 s LYS 568 CO 0.57 -0.39 1.79 0.28 0.16 0.00 0.00 175.35 177.77 3hr4 n VAL 569 N 5.33 4.79 -2.37 4.02 0.31 -1.26 -0.50 118.33 128.64 3hr4 n VAL 569 Ca -0.05 -4.93 -0.38 0.00 -0.01 0.00 0.00 64.34 58.98 3hr4 n VAL 569 Cb 0.50 -2.22 -0.03 0.00 -0.91 0.00 0.00 33.84 31.18 3hr4 n VAL 569 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3hr4 s VAL 570 N -0.89 3.34 0.71 2.52 1.01 0.16 -4.92 120.40 122.33 3hr4 s VAL 570 Ca 0.38 1.08 -0.08 0.00 0.00 0.00 0.00 61.98 63.36 3hr4 s VAL 570 Cb 0.09 -3.58 0.06 0.00 0.00 0.00 0.00 36.38 32.94 3hr4 s VAL 570 CO 0.03 0.06 1.03 0.00 0.00 0.00 0.00 175.10 176.21 3hr4 h MET 572 N -0.62 0.04 0.00 0.00 2.86 -1.51 -3.17 114.93 112.54 3hr4 h MET 572 Ca -0.45 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 3hr4 h MET 572 Cb 1.31 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.98 3hr4 h MET 572 CO 0.61 0.88 0.00 0.38 1.06 0.00 0.00 176.91 179.84 3hr4 h ASP 573 N 0.02 0.00 -0.81 1.22 3.04 -1.73 -3.26 116.42 114.90 3hr4 h ASP 573 Ca -0.02 0.00 -0.31 0.00 -3.24 0.00 0.00 57.03 53.46 3hr4 h ASP 573 Cb 1.52 0.00 -0.18 0.00 -1.04 0.00 0.00 39.33 39.63 3hr4 h ASP 573 CO 0.12 0.00 0.38 0.29 -2.04 0.00 0.00 179.24 177.99 3hr4 n LYS 574 N -2.65 3.23 -4.59 4.15 4.76 -1.20 -4.97 118.16 116.90 3hr4 n LYS 574 Ca 0.04 -3.07 -0.27 0.00 -2.87 0.00 0.00 58.31 52.13 3hr4 n LYS 574 Cb 0.42 -2.20 -0.11 0.00 -1.84 0.00 0.00 35.03 31.31 3hr4 n LYS 574 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3hr4 s TYR 575 N -3.10 2.49 -0.06 2.13 5.04 -1.23 -4.82 117.35 117.80 3hr4 s TYR 575 Ca 0.56 -0.62 -0.02 0.00 -2.44 0.00 0.00 57.07 54.55 3hr4 s TYR 575 Cb 0.45 -1.67 0.03 0.00 0.35 0.00 0.00 41.96 41.12 3hr4 s TYR 575 CO 0.12 0.48 0.02 0.50 -1.34 0.00 0.00 175.55 175.34 3hr4 s ARG 576 N -3.69 0.37 0.36 4.97 3.52 -1.26 -5.01 118.95 118.21 3hr4 s ARG 576 Ca 0.34 0.19 0.10 0.00 -0.13 0.00 0.00 55.73 56.24 3hr4 s ARG 576 Cb 0.08 -0.84 0.56 0.00 -1.56 0.00 0.00 34.95 33.19 3hr4 s ARG 576 CO 0.18 -0.32 1.18 -0.07 -0.81 0.00 0.00 175.30 175.46 3hr4 h LEU 577 N 8.37 0.00 0.00 -0.88 -0.00 -1.99 -1.09 115.31 119.71 3hr4 h LEU 577 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 3hr4 h LEU 577 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.78 3hr4 h LEU 577 CO 0.22 0.00 0.00 -1.54 -0.00 0.00 0.00 178.44 177.12 3hr4 n SER 578 N -2.04 0.00 -0.32 -0.43 3.41 -1.26 -2.65 113.62 110.33 3hr4 n SER 578 Ca -0.01 -0.71 0.07 0.00 -0.26 0.00 0.00 58.87 57.97 3hr4 n SER 578 Cb 0.47 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.41 3hr4 n SER 578 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hr4 h LEU 580 N 1.58 0.00 0.00 0.00 3.38 -1.75 -2.98 115.31 115.54 3hr4 h LEU 580 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hr4 h LEU 580 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3hr4 h LEU 580 CO 0.00 0.57 0.00 1.21 0.09 0.00 0.00 178.44 180.31 3hr4 n GLU 581 N -3.14 0.07 -3.48 1.13 4.07 -1.26 -3.96 120.64 114.07 3hr4 n GLU 581 Ca -0.02 0.13 -0.27 0.00 -0.06 0.00 0.00 57.16 56.94 3hr4 n GLU 581 Cb 0.79 -1.50 -0.10 0.00 -0.06 0.00 0.00 31.44 30.57 3hr4 n GLU 581 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 3hr4 n GLU 582 N -1.45 0.63 0.00 5.31 0.28 -1.13 -4.78 120.64 119.50 3hr4 n GLU 582 Ca 0.06 -3.49 0.00 0.00 -0.16 0.00 0.00 57.16 53.58 3hr4 n GLU 582 Cb 0.23 -1.77 0.00 0.00 1.43 0.00 0.00 31.44 31.32 3hr4 n GLU 582 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3hr4 n GLU 583 N 2.48 0.00 0.00 3.44 2.13 -1.25 -4.89 120.64 122.55 3hr4 n GLU 583 Ca 0.27 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.09 3hr4 n GLU 583 Cb 0.46 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.17 3hr4 n GLU 583 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3hr4 n ARG 584 N -0.19 0.00 -4.06 5.31 1.74 -1.26 -4.64 116.66 113.57 3hr4 n ARG 584 Ca 0.00 0.22 -0.35 0.00 -0.77 0.00 0.00 57.85 56.95 3hr4 n ARG 584 Cb 0.00 -0.81 -0.09 0.00 -1.02 0.00 0.00 32.46 30.54 3hr4 n ARG 584 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3hr4 s LEU 585 N -2.34 3.89 -0.25 0.55 0.20 -1.26 -2.28 118.68 117.20 3hr4 s LEU 585 Ca 0.00 0.18 0.03 0.00 0.69 0.00 0.00 54.13 55.03 3hr4 s LEU 585 Cb 0.00 -1.96 0.05 0.00 -0.43 0.00 0.00 46.19 43.86 3hr4 s LEU 585 CO 0.00 0.27 -0.13 -0.22 -0.29 0.00 0.00 176.35 175.99 3hr4 s LEU 586 N -0.22 3.20 -0.16 -0.68 1.98 -0.68 -3.41 118.68 118.71 3hr4 s LEU 586 Ca 0.08 -1.25 -0.11 0.00 -2.89 0.00 0.00 54.13 49.96 3hr4 s LEU 586 Cb -0.12 -1.54 -0.05 0.00 0.66 0.00 0.00 46.19 45.14 3hr4 s LEU 586 CO 0.01 -0.15 0.19 -0.76 -1.89 0.00 0.00 176.35 173.75 3hr4 s LEU 587 N 1.14 4.27 -0.05 -0.68 1.43 -0.34 -2.21 118.68 122.23 3hr4 s LEU 587 Ca -0.06 0.39 0.03 0.00 -1.03 0.00 0.00 54.13 53.45 3hr4 s LEU 587 Cb -0.19 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 43.85 3hr4 s LEU 587 CO -0.06 0.21 -0.12 -0.69 0.23 0.00 0.00 176.35 175.91 3hr4 s VAL 588 N 0.07 1.07 -0.20 -1.59 1.01 -0.91 -0.13 120.40 119.72 3hr4 s VAL 588 Ca 0.12 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 3hr4 s VAL 588 Cb -0.12 -0.96 0.06 0.00 0.00 0.00 0.00 36.38 35.36 3hr4 s VAL 588 CO 0.01 0.33 0.04 -0.69 0.00 0.00 0.00 175.10 174.80 3hr4 s VAL 589 N 0.48 0.50 -0.09 2.92 1.01 -0.38 -1.28 120.40 123.56 3hr4 s VAL 589 Ca -0.10 -0.58 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 3hr4 s VAL 589 Cb -0.13 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.23 3hr4 s VAL 589 CO 0.03 -0.24 0.27 0.28 0.00 0.00 0.00 175.10 175.43 3hr4 s THR 590 N 1.87 0.01 0.61 3.92 -1.32 -0.52 -2.75 115.64 117.46 3hr4 s THR 590 Ca -0.00 -0.09 -0.04 0.00 -1.21 0.00 0.00 61.69 60.35 3hr4 s THR 590 Cb -0.17 -0.41 0.03 0.00 -1.51 0.00 0.00 72.50 70.44 3hr4 s THR 590 CO -0.09 -0.05 0.89 -0.94 -2.21 0.00 0.00 174.62 172.22 3hr4 s SER 591 N -0.10 5.28 -0.05 8.08 1.04 -1.15 -1.28 113.70 125.52 3hr4 s SER 591 Ca -0.02 0.43 0.04 0.00 0.48 0.00 0.00 55.95 56.88 3hr4 s SER 591 Cb -0.03 -1.31 -0.03 0.00 0.10 0.00 0.00 66.02 64.76 3hr4 s SER 591 CO 0.01 -1.23 -0.14 -0.89 0.98 0.00 0.00 173.24 171.97 3hr4 s THR 592 N -2.99 3.06 0.46 2.02 2.01 -0.52 -4.34 115.64 115.33 3hr4 s THR 592 Ca 0.56 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.85 3hr4 s THR 592 Cb -0.10 -2.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.20 3hr4 s THR 592 CO 0.43 0.59 0.07 0.33 -0.69 0.00 0.00 174.62 175.35 3hr4 n PHE 593 N 2.31 0.68 0.00 4.92 7.35 0.10 -4.89 117.46 127.93 3hr4 n PHE 593 Ca -0.17 -2.56 0.00 0.00 -0.76 0.00 0.00 57.45 53.95 3hr4 n PHE 593 Cb 0.52 -0.18 0.00 0.00 0.35 0.00 0.00 39.48 40.17 3hr4 n PHE 593 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hr4 n GLY 594 N -0.94 2.85 2.72 7.13 0.00 -1.26 0.31 105.19 116.00 3hr4 n GLY 594 Ca -0.14 0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 3hr4 n GLY 594 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hr4 n ASN 595 N 6.61 3.78 0.00 1.61 4.13 -1.26 -4.73 115.26 125.40 3hr4 n ASN 595 Ca 0.00 -3.54 0.00 0.00 1.68 0.00 0.00 54.58 52.72 3hr4 n ASN 595 Cb 0.00 -0.55 0.00 0.00 -1.54 0.00 0.00 39.78 37.69 3hr4 n ASN 595 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hr4 n GLY 596 N -0.19 0.82 3.93 7.41 0.00 -0.75 -4.79 105.19 111.62 3hr4 n GLY 596 Ca 0.30 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 3hr4 n GLY 596 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hr4 s ASP 597 N -2.13 4.83 0.27 1.61 2.15 0.15 -3.45 116.67 120.09 3hr4 s ASP 597 Ca 0.00 0.48 -0.10 0.00 0.43 0.00 0.00 52.55 53.37 3hr4 s ASP 597 Cb 0.00 -1.13 -0.07 0.00 -0.30 0.00 0.00 42.92 41.41 3hr4 s ASP 597 CO 0.00 -1.60 0.59 0.00 -0.17 0.00 0.00 175.17 174.00 3hr4 s PRO 599 N -3.05 2.24 0.46 0.00 0.02 -1.26 -4.62 135.00 128.79 3hr4 s PRO 599 Ca 0.48 1.51 0.23 0.00 0.02 0.00 0.00 61.00 63.24 3hr4 s PRO 599 Cb -0.11 -1.87 1.24 0.00 0.02 0.00 0.00 34.50 33.78 3hr4 s PRO 599 CO 0.23 -1.71 1.87 0.78 -0.33 0.00 0.00 177.00 177.84 3hr4 h GLY 600 N -0.51 0.55 2.00 0.52 0.00 -1.98 -0.07 103.07 103.58 3hr4 h GLY 600 Ca -0.46 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 3hr4 h GLY 600 CO 0.50 -0.01 -0.03 3.43 0.00 0.00 0.00 176.54 180.43 3hr4 h ASN 601 N 0.25 0.00 0.00 0.19 -0.26 -1.90 -3.22 115.58 110.64 3hr4 h ASN 601 Ca 0.45 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 56.17 3hr4 h ASN 601 Cb 1.37 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.63 3hr4 h ASN 601 CO -0.12 0.03 -0.53 1.23 -1.06 0.00 0.00 177.43 176.98 3hr4 h GLY 602 N 0.13 0.00 0.00 2.83 0.00 -1.34 -2.68 103.07 102.00 3hr4 h GLY 602 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hr4 h GLY 602 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 3hr4 n GLU 603 N -4.61 0.00 -0.34 4.80 -0.58 -1.07 -0.34 120.64 118.50 3hr4 n GLU 603 Ca -0.09 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.79 3hr4 n GLU 603 Cb 0.28 0.00 0.34 0.00 -0.57 0.00 0.00 31.44 31.50 3hr4 n GLU 603 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3hr4 h LYS 604 N 0.00 0.71 -0.43 3.49 3.11 -1.87 0.37 116.57 121.95 3hr4 h LYS 604 Ca 0.00 -0.04 -0.09 0.00 -2.81 0.00 0.00 60.65 57.71 3hr4 h LYS 604 Cb 0.00 -0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.05 3hr4 h LYS 604 CO 0.00 0.47 -0.10 1.25 -2.81 0.00 0.00 179.45 178.26 3hr4 h LEU 605 N 0.73 0.76 -1.36 5.20 5.85 -0.93 -2.15 115.31 123.40 3hr4 h LEU 605 Ca 0.56 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 59.11 3hr4 h LEU 605 Cb 0.92 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 3hr4 h LEU 605 CO -0.35 0.89 0.47 0.50 -0.34 0.00 0.00 178.44 179.60 3hr4 h LYS 606 N 0.70 0.79 0.40 1.25 3.64 -1.05 -0.38 116.57 121.92 3hr4 h LYS 606 Ca 0.12 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3hr4 h LYS 606 Cb 0.58 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3hr4 h LYS 606 CO 0.04 0.52 -0.19 -0.22 -2.27 0.00 0.00 179.45 177.32 3hr4 h LYS 607 N 0.81 -0.52 -0.97 1.90 1.63 -1.06 -2.87 116.57 115.48 3hr4 h LYS 607 Ca 0.29 0.04 0.13 0.00 -0.85 0.00 0.00 60.65 60.25 3hr4 h LYS 607 Cb 0.13 0.12 -0.08 0.00 -0.60 0.00 0.00 32.23 31.80 3hr4 h LYS 607 CO -0.09 -0.21 0.62 0.66 -3.45 0.00 0.00 179.45 176.97 3hr4 h SER 608 N -0.85 0.86 0.34 4.20 4.64 -0.96 -2.64 113.55 119.14 3hr4 h SER 608 Ca -0.06 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3hr4 h SER 608 Cb 0.55 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3hr4 h SER 608 CO 0.09 0.45 -0.16 -0.07 -0.87 0.00 0.00 176.83 176.26 3hr4 h LEU 609 N 0.92 -0.39 -1.82 5.97 3.38 -1.10 -3.25 115.31 119.01 3hr4 h LEU 609 Ca 0.49 -0.13 0.18 0.00 0.09 0.00 0.00 57.88 58.51 3hr4 h LEU 609 Cb 0.55 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3hr4 h LEU 609 CO -0.25 0.06 0.50 -0.26 0.09 0.00 0.00 178.44 178.58 3hr4 h PHE 610 N -1.00 0.20 -1.49 1.13 -1.00 -1.50 -0.97 116.94 112.32 3hr4 h PHE 610 Ca -0.05 0.01 -0.65 0.00 2.81 0.00 0.00 57.97 60.09 3hr4 h PHE 610 Cb 0.50 -0.06 -0.24 0.00 3.61 0.00 0.00 35.95 39.76 3hr4 h PHE 610 CO 0.03 0.07 0.81 -1.33 -1.61 0.00 0.00 178.31 176.28 3hr4 n MET 611 N -4.40 2.58 -4.03 1.51 2.81 -1.00 -4.90 117.12 109.69 3hr4 n MET 611 Ca 0.14 -3.03 -0.08 0.00 -1.81 0.00 0.00 57.70 52.92 3hr4 n MET 611 Cb 0.68 -2.19 -0.09 0.00 -0.71 0.00 0.00 33.22 30.91 3hr4 n MET 611 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3hr4 s LEU 612 N -3.36 1.87 0.00 4.03 2.96 -0.37 -4.93 118.68 118.88 3hr4 s LEU 612 Ca 0.54 -0.95 0.00 0.00 -0.22 0.00 0.00 54.13 53.50 3hr4 s LEU 612 Cb 0.42 0.55 0.00 0.00 0.50 0.00 0.00 46.19 47.66 3hr4 s LEU 612 CO -0.28 -0.70 0.00 2.29 -1.32 0.00 0.00 176.35 176.34 3hr4 n LYS 613 N -0.02 0.00 -4.19 1.98 -0.00 -1.26 -5.04 118.16 109.63 3hr4 n LYS 613 Ca -0.11 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.06 3hr4 n LYS 613 Cb 0.62 -0.42 -0.10 0.00 -0.00 0.00 0.00 35.03 35.12 3hr4 n LYS 613 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 3hr4 s GLU 614 N -1.00 0.89 -0.26 -1.58 -1.05 -1.26 -5.03 118.70 109.41 3hr4 s GLU 614 Ca 0.00 -1.26 -0.01 0.00 -0.15 0.00 0.00 54.97 53.55 3hr4 s GLU 614 Cb 0.00 -0.49 0.13 0.00 -0.44 0.00 0.00 34.13 33.33 3hr4 s GLU 614 CO 0.00 0.06 0.29 -1.17 0.95 0.00 0.00 175.26 175.39 3hr4 s LEU 615 N -2.73 -0.29 0.06 1.83 2.96 -1.26 -5.03 118.68 114.22 3hr4 s LEU 615 Ca 0.09 -0.48 -0.20 0.00 -0.22 0.00 0.00 54.13 53.32 3hr4 s LEU 615 Cb -0.00 0.59 -0.12 0.00 0.50 0.00 0.00 46.19 47.16 3hr4 s LEU 615 CO -0.01 -0.36 1.41 -0.55 -1.32 0.00 0.00 176.35 175.52 3hr4 h ASN 616 N 8.26 0.39 -3.07 3.68 7.08 -1.98 -3.43 115.58 126.51 3hr4 h ASN 616 Ca -0.15 -0.41 -0.57 0.00 -3.08 0.00 0.00 56.30 52.09 3hr4 h ASN 616 Cb 1.11 -0.11 -0.05 0.00 -2.08 0.00 0.00 38.32 37.19 3hr4 h ASN 616 CO 0.31 0.71 0.79 0.21 -2.08 0.00 0.00 177.43 177.37 3hr4 s ASN 617 N -6.04 7.09 -0.89 6.14 2.47 -1.26 -4.95 114.94 117.50 3hr4 s ASN 617 Ca -0.14 1.47 -0.03 0.00 0.42 0.00 0.00 52.86 54.58 3hr4 s ASN 617 Cb 0.06 -2.54 0.26 0.00 -1.45 0.00 0.00 41.25 37.57 3hr4 s ASN 617 CO 0.75 -0.66 2.16 0.29 -3.72 0.00 0.00 177.10 175.92 3hr4 n LYS 618 N 6.18 3.68 -1.80 0.43 4.76 -1.26 -4.73 118.16 125.42 3hr4 n LYS 618 Ca 0.12 -3.61 -0.37 0.00 -2.87 0.00 0.00 58.31 51.58 3hr4 n LYS 618 Cb 0.46 -2.35 0.06 0.00 -1.84 0.00 0.00 35.03 31.36 3hr4 n LYS 618 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 3hr4 s PHE 619 N -3.33 2.15 0.10 2.13 -0.12 -1.26 -3.98 117.98 113.68 3hr4 s PHE 619 Ca 0.50 1.50 -0.22 0.00 -0.05 0.00 0.00 56.93 58.65 3hr4 s PHE 619 Cb 0.33 -3.63 -0.07 0.00 -0.63 0.00 0.00 43.02 39.01 3hr4 s PHE 619 CO -0.26 -2.73 0.67 1.03 -0.05 0.00 0.00 175.22 173.87 3hr4 s ARG 620 N -3.39 4.37 0.32 1.99 0.52 -0.97 -1.50 118.95 120.30 3hr4 s ARG 620 Ca 0.81 0.93 0.01 0.00 -0.52 0.00 0.00 55.73 56.96 3hr4 s ARG 620 Cb -0.35 -3.26 -0.00 0.00 0.52 0.00 0.00 34.95 31.85 3hr4 s ARG 620 CO 0.38 0.58 0.04 2.48 0.02 0.00 0.00 175.30 178.80 3hr4 n TYR 621 N 1.79 0.52 -3.61 -0.53 4.11 -0.66 -1.68 117.16 117.10 3hr4 n TYR 621 Ca -0.08 -1.74 -0.14 0.00 -0.00 0.00 0.00 57.90 55.95 3hr4 n TYR 621 Cb 0.50 -0.14 -0.07 0.00 -0.00 0.00 0.00 39.34 39.63 3hr4 n TYR 621 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3hr4 s ALA 622 N -2.66 -1.81 -0.00 -3.48 0.00 -0.94 0.93 121.76 113.79 3hr4 s ALA 622 Ca 0.06 1.88 -0.00 0.00 0.00 0.00 0.00 51.96 53.89 3hr4 s ALA 622 Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 22.11 3hr4 s ALA 622 CO 0.04 -0.33 0.00 0.08 0.00 0.00 0.00 175.76 175.56 3hr4 s VAL 623 N 0.05 -0.00 -0.08 0.00 1.01 -1.26 -2.13 120.40 117.98 3hr4 s VAL 623 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.98 3hr4 s VAL 623 Cb -0.04 -0.02 0.02 0.00 0.00 0.00 0.00 36.38 36.35 3hr4 s VAL 623 CO 0.01 0.00 -0.07 0.12 0.00 0.00 0.00 175.10 175.17 3hr4 s PHE 624 N 0.05 1.18 -0.07 5.22 5.36 -0.40 -1.98 117.98 127.35 3hr4 s PHE 624 Ca -0.00 -0.48 0.02 0.00 -0.96 0.00 0.00 56.93 55.50 3hr4 s PHE 624 Cb -0.01 -1.00 -0.03 0.00 -0.34 0.00 0.00 43.02 41.64 3hr4 s PHE 624 CO -0.00 -0.36 -0.09 0.20 -1.46 0.00 0.00 175.22 173.51 3hr4 s GLY 625 N 1.36 1.64 -0.07 13.12 0.00 -0.63 -1.43 107.32 121.30 3hr4 s GLY 625 Ca -0.03 -0.92 -0.04 0.00 0.00 0.00 0.00 44.72 43.74 3hr4 s GLY 625 CO -0.03 -0.67 0.09 1.08 0.00 0.00 0.00 173.10 173.57 3hr4 s LEU 626 N -0.72 4.06 0.00 0.66 1.02 -0.40 0.17 118.68 123.47 3hr4 s LEU 626 Ca 0.11 0.30 0.00 0.00 0.02 0.00 0.00 54.13 54.56 3hr4 s LEU 626 Cb -0.11 -2.10 0.00 0.00 0.02 0.00 0.00 46.19 44.00 3hr4 s LEU 626 CO 0.01 0.36 0.00 0.61 0.02 0.00 0.00 176.35 177.35 3hr4 n GLY 627 N 1.75 1.52 3.51 -3.19 0.00 -1.23 -1.44 105.19 106.12 3hr4 n GLY 627 Ca -0.17 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.63 3hr4 n GLY 627 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hr4 s SER 628 N 2.00 -0.81 0.00 1.61 0.15 -1.26 -2.77 113.70 112.62 3hr4 s SER 628 Ca 0.00 1.32 0.00 0.00 0.70 0.00 0.00 55.95 57.97 3hr4 s SER 628 Cb 0.00 1.34 0.00 0.00 -1.71 0.00 0.00 66.02 65.65 3hr4 s SER 628 CO 0.00 -0.22 0.88 -1.54 1.20 0.00 0.00 173.24 173.56 3hr4 n SER 629 N 4.54 0.00 -0.00 5.45 3.41 -1.26 -1.70 113.62 124.05 3hr4 n SER 629 Ca -0.19 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 3hr4 n SER 629 Cb 0.56 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 3hr4 n SER 629 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3hr4 n MET 630 N -1.38 0.76 -4.23 4.33 0.00 -1.26 -4.83 117.12 110.52 3hr4 n MET 630 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 57.70 57.57 3hr4 n MET 630 Cb 0.03 -1.00 -0.10 0.00 0.00 0.00 0.00 33.22 32.15 3hr4 n MET 630 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 3hr4 s TYR 631 N -1.99 1.19 0.00 1.12 2.02 -0.69 -5.13 117.35 113.87 3hr4 s TYR 631 Ca 0.00 -1.19 0.00 0.00 -0.37 0.00 0.00 57.07 55.51 3hr4 s TYR 631 Cb 0.00 -0.66 0.00 0.00 -0.40 0.00 0.00 41.96 40.90 3hr4 s TYR 631 CO 0.00 -0.42 0.00 -2.30 -1.57 0.00 0.00 175.55 171.26 3hr4 n PRO 632 N -0.27 0.00 -1.91 -1.71 -0.02 -1.26 -4.44 135.00 125.40 3hr4 n PRO 632 Ca -0.03 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.06 3hr4 n PRO 632 Cb 0.65 -0.32 -0.03 0.00 -0.02 0.00 0.00 33.50 33.77 3hr4 n PRO 632 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3hr4 s ARG 633 N 0.00 2.65 -0.26 -0.52 3.00 -1.26 -4.92 118.95 117.65 3hr4 s ARG 633 Ca 0.00 1.00 -0.22 0.00 0.00 0.00 0.00 55.73 56.51 3hr4 s ARG 633 Cb 0.00 -4.40 -0.01 0.00 0.00 0.00 0.00 34.95 30.54 3hr4 s ARG 633 CO 0.00 -2.67 0.70 0.12 0.00 0.00 0.00 175.30 173.45 3hr4 s PHE 634 N 9.37 3.28 -1.56 -0.53 5.36 -1.26 -3.84 117.98 128.80 3hr4 s PHE 634 Ca 0.78 0.91 -0.12 0.00 -0.96 0.00 0.00 56.93 57.54 3hr4 s PHE 634 Cb -0.16 -2.94 0.09 0.00 -0.34 0.00 0.00 43.02 39.67 3hr4 s PHE 634 CO 0.25 -0.37 0.77 0.00 -1.46 0.00 0.00 175.22 174.41 3hr4 h ALA 636 N 0.91 0.90 -0.10 0.00 0.00 -1.84 -0.34 119.26 118.81 3hr4 h ALA 636 Ca -0.60 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 53.90 3hr4 h ALA 636 Cb 1.38 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 3hr4 h ALA 636 CO 0.70 0.62 -0.02 0.35 0.00 0.00 0.00 179.25 180.90 3hr4 h PHE 637 N 0.56 0.21 -0.76 0.00 3.57 -1.81 0.23 116.94 118.94 3hr4 h PHE 637 Ca 0.07 -0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.61 3hr4 h PHE 637 Cb 0.79 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.41 3hr4 h PHE 637 CO 0.04 0.50 0.42 0.00 -2.23 0.00 0.00 178.31 177.03 3hr4 h ALA 638 N 0.69 1.06 0.00 2.41 0.00 -1.78 -0.26 119.26 121.38 3hr4 h ALA 638 Ca 0.02 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3hr4 h ALA 638 Cb 0.43 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3hr4 h ALA 638 CO 0.01 0.06 -0.22 0.45 0.00 0.00 0.00 179.25 179.54 3hr4 h HIS 639 N 0.73 0.00 -0.58 0.00 3.86 -0.59 0.45 115.15 119.02 3hr4 h HIS 639 Ca 0.36 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.53 3hr4 h HIS 639 Cb 0.32 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 3hr4 h HIS 639 CO -0.08 0.22 0.19 -0.44 0.86 0.00 0.00 177.93 178.68 3hr4 h ASP 640 N 0.00 0.84 0.03 2.45 3.32 0.13 0.90 116.42 124.09 3hr4 h ASP 640 Ca -0.00 -0.20 -0.12 0.00 0.02 0.00 0.00 57.03 56.72 3hr4 h ASP 640 Cb 0.44 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.78 3hr4 h ASP 640 CO 0.03 0.82 -0.49 0.40 -1.72 0.00 0.00 179.24 178.28 3hr4 h ILE 641 N 0.82 1.52 0.00 0.35 2.04 -0.87 0.65 117.51 122.01 3hr4 h ILE 641 Ca 0.19 -2.17 -0.01 0.00 1.00 0.00 0.00 64.86 63.87 3hr4 h ILE 641 Cb 0.28 2.87 -0.00 0.00 -0.74 0.00 0.00 36.82 39.23 3hr4 h ILE 641 CO -0.01 0.61 -0.03 -0.78 0.00 0.00 0.00 178.15 177.95 3hr4 h ASP 642 N -0.37 0.00 0.20 1.72 3.58 -0.08 0.82 116.42 122.29 3hr4 h ASP 642 Ca -0.07 0.00 -0.35 0.00 0.42 0.00 0.00 57.03 57.03 3hr4 h ASP 642 Cb 1.27 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.28 3hr4 h ASP 642 CO 0.09 0.03 -2.03 1.67 -2.88 0.00 0.00 179.24 176.12 3hr4 n GLN 643 N -3.93 0.70 0.19 0.28 -0.06 0.31 -3.53 117.38 111.34 3hr4 n GLN 643 Ca -0.03 0.23 0.04 0.00 -2.00 0.00 0.00 57.00 55.24 3hr4 n GLN 643 Cb 0.11 -1.69 0.37 0.00 -4.06 0.00 0.00 30.24 24.97 3hr4 n GLN 643 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 3hr4 h LYS 644 N 0.04 0.00 0.19 3.69 1.63 0.95 -3.09 116.57 119.97 3hr4 h LYS 644 Ca -0.42 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.05 3hr4 h LYS 644 Cb 2.03 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 33.68 3hr4 h LYS 644 CO 0.05 0.38 -1.59 -0.07 -3.45 0.00 0.00 179.45 174.77 3hr4 h LEU 645 N 0.00 0.64 -0.91 5.20 3.38 -1.03 -3.26 115.31 119.34 3hr4 h LEU 645 Ca -0.00 -0.82 0.06 0.00 0.09 0.00 0.00 57.88 57.21 3hr4 h LEU 645 Cb 0.74 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 3hr4 h LEU 645 CO 0.05 1.67 0.57 -1.28 0.09 0.00 0.00 178.44 179.54 3hr4 h SER 646 N 0.11 0.90 -0.10 -0.43 0.87 -1.59 -2.41 113.55 110.91 3hr4 h SER 646 Ca -0.28 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.28 3hr4 h SER 646 Cb 2.10 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 63.88 3hr4 h SER 646 CO 0.21 0.57 0.00 0.45 -0.53 0.00 0.00 176.83 177.54 3hr4 h HIS 647 N 1.04 0.18 0.00 2.24 3.86 -1.67 -2.36 115.15 118.44 3hr4 h HIS 647 Ca 0.39 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.57 3hr4 h HIS 647 Cb 0.17 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.60 3hr4 h HIS 647 CO -0.02 0.42 0.28 -0.07 0.86 0.00 0.00 177.93 179.40 3hr4 h LEU 648 N -0.11 0.00 0.00 2.43 3.38 -1.53 -3.45 115.31 116.04 3hr4 h LEU 648 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hr4 h LEU 648 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3hr4 h LEU 648 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3hr4 n GLY 649 N -1.21 2.30 3.49 0.83 0.00 -0.89 -4.38 105.19 105.34 3hr4 n GLY 649 Ca -0.02 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.50 3hr4 n GLY 649 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hr4 n ALA 650 N -0.48 -2.24 -2.74 4.61 0.00 -0.93 -4.86 120.51 113.87 3hr4 n ALA 650 Ca 0.00 0.48 -0.43 0.00 0.00 0.00 0.00 53.44 53.49 3hr4 n ALA 650 Cb 0.00 -1.79 -0.04 0.00 0.00 0.00 0.00 19.45 17.62 3hr4 n ALA 650 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3hr4 s SER 651 N -0.47 6.21 -0.46 0.00 0.01 -0.56 -4.48 113.70 113.95 3hr4 s SER 651 Ca 0.72 -0.72 -0.27 0.00 1.31 0.00 0.00 55.95 56.99 3hr4 s SER 651 Cb -0.96 -2.45 -0.08 0.00 0.21 0.00 0.00 66.02 62.74 3hr4 s SER 651 CO 0.56 -1.47 2.39 1.67 0.41 0.00 0.00 173.24 176.79 3hr4 n GLN 652 N 7.99 1.16 -0.18 12.44 7.27 -1.26 -1.65 117.38 143.14 3hr4 n GLN 652 Ca -0.01 0.12 0.12 0.00 0.07 0.00 0.00 57.00 57.30 3hr4 n GLN 652 Cb 0.47 -3.21 0.44 0.00 2.41 0.00 0.00 30.24 30.35 3hr4 n GLN 652 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 3hr4 h LEU 653 N 17.71 0.51 -7.05 1.69 7.12 0.23 -3.44 115.31 132.09 3hr4 h LEU 653 Ca -0.26 0.02 -0.06 0.00 0.13 0.00 0.00 57.88 57.70 3hr4 h LEU 653 Cb 1.27 -0.08 -0.19 0.00 -0.53 0.00 0.00 40.66 41.12 3hr4 h LEU 653 CO 1.13 0.29 0.15 0.28 -0.13 0.00 0.00 178.44 180.15 3hr4 s THR 654 N -5.53 0.01 0.12 1.05 -1.32 -1.26 -4.94 115.64 103.77 3hr4 s THR 654 Ca -0.09 -0.04 -0.35 0.00 -1.21 0.00 0.00 61.69 60.00 3hr4 s THR 654 Cb 0.21 -0.97 -0.16 0.00 -1.51 0.00 0.00 72.50 70.07 3hr4 s THR 654 CO 0.77 -0.02 1.40 -2.65 -2.21 0.00 0.00 174.62 171.91 3hr4 n PRO 655 N 0.97 1.49 -1.68 7.08 -0.02 -1.26 -4.54 135.00 137.05 3hr4 n PRO 655 Ca -0.19 0.54 -0.51 0.00 -2.02 0.00 0.00 63.50 61.32 3hr4 n PRO 655 Cb 0.57 -2.21 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 3hr4 n PRO 655 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3hr4 n MET 656 N 2.73 1.80 -3.21 -0.52 1.56 -1.26 -4.85 117.12 113.38 3hr4 n MET 656 Ca 0.17 0.66 -0.34 0.00 -0.27 0.00 0.00 57.70 57.93 3hr4 n MET 656 Cb 0.23 -2.43 -0.06 0.00 2.15 0.00 0.00 33.22 33.11 3hr4 n MET 656 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 3hr4 s GLY 657 N 2.94 2.42 -0.25 -5.12 0.00 -0.84 -4.97 107.32 101.51 3hr4 s GLY 657 Ca 0.91 -0.00 -0.06 0.00 0.00 0.00 0.00 44.72 45.56 3hr4 s GLY 657 CO 0.52 0.24 0.04 -0.54 0.00 0.00 0.00 173.10 173.36 3hr4 s GLU 658 N -2.53 3.50 -1.56 2.90 2.02 -1.26 -1.60 118.70 120.15 3hr4 s GLU 658 Ca 0.48 -0.57 -0.10 0.00 0.02 0.00 0.00 54.97 54.80 3hr4 s GLU 658 Cb -0.13 -3.24 -0.09 0.00 0.10 0.00 0.00 34.13 30.78 3hr4 s GLU 658 CO 0.19 -0.23 2.90 0.41 0.02 0.00 0.00 175.26 178.55 3hr4 n GLY 659 N 4.88 4.15 3.48 -1.39 0.00 0.45 -4.85 105.19 111.90 3hr4 n GLY 659 Ca -0.17 -1.44 -0.50 0.00 0.00 0.00 0.00 46.02 43.91 3hr4 n GLY 659 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hr4 n ASP 660 N 3.63 2.28 0.22 1.61 -0.08 -1.26 -3.50 116.55 119.44 3hr4 n ASP 660 Ca 0.76 0.46 0.05 0.00 -1.51 0.00 0.00 54.79 54.55 3hr4 n ASP 660 Cb 0.22 -1.28 0.48 0.00 2.34 0.00 0.00 41.12 42.88 3hr4 n ASP 660 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 3hr4 h GLU 661 N 12.13 0.00 0.11 -0.67 4.81 -1.86 -1.92 114.58 127.19 3hr4 h GLU 661 Ca -0.30 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.63 3hr4 h GLU 661 Cb 1.31 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.72 3hr4 h GLU 661 CO 1.01 0.23 -1.24 -0.07 -0.73 0.00 0.00 179.01 178.21 3hr4 h LEU 662 N 0.00 0.85 -0.29 1.64 4.07 -1.87 -3.27 115.31 116.44 3hr4 h LEU 662 Ca -0.00 -0.78 0.00 0.00 0.08 0.00 0.00 57.88 57.18 3hr4 h LEU 662 Cb 0.42 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.89 3hr4 h LEU 662 CO 0.03 1.59 -0.01 -1.20 -1.08 0.00 0.00 178.44 177.77 3hr4 n SER 663 N -3.78 0.45 0.00 -0.43 7.64 -1.13 -4.92 113.62 111.46 3hr4 n SER 663 Ca -0.13 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 58.65 3hr4 n SER 663 Cb 0.98 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.17 3hr4 n SER 663 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hr4 n GLY 664 N 1.07 0.32 0.31 0.23 0.00 -0.87 -4.85 105.19 101.41 3hr4 n GLY 664 Ca 0.22 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 3hr4 n GLY 664 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3hr4 h GLN 665 N 0.00 -0.45 -0.84 1.61 4.15 -1.52 -1.88 115.11 116.17 3hr4 h GLN 665 Ca 0.00 0.03 0.08 0.00 0.77 0.00 0.00 58.65 59.53 3hr4 h GLN 665 Cb 0.00 0.10 -0.10 0.00 0.21 0.00 0.00 27.48 27.69 3hr4 h GLN 665 CO 0.00 -0.30 -0.50 0.39 -1.93 0.00 0.00 178.83 176.49 3hr4 n GLU 666 N -5.40 -0.37 -0.13 1.69 -0.58 -1.26 -1.84 120.64 112.75 3hr4 n GLU 666 Ca -0.06 1.31 -0.12 0.00 -0.42 0.00 0.00 57.16 57.87 3hr4 n GLU 666 Cb 0.31 -1.93 -0.02 0.00 -0.57 0.00 0.00 31.44 29.23 3hr4 n GLU 666 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 3hr4 h ASP 667 N 0.00 0.96 -0.99 1.62 3.32 -1.86 -2.19 116.42 117.28 3hr4 h ASP 667 Ca 0.14 -0.44 0.18 0.00 0.02 0.00 0.00 57.03 56.93 3hr4 h ASP 667 Cb 0.35 -0.27 -0.10 0.00 0.22 0.00 0.00 39.33 39.53 3hr4 h ASP 667 CO -0.79 1.19 0.61 0.00 -1.72 0.00 0.00 179.24 178.53 3hr4 h ALA 668 N 0.80 1.73 0.17 3.45 0.00 -0.58 0.39 119.26 125.22 3hr4 h ALA 668 Ca 0.08 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3hr4 h ALA 668 Cb 0.87 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3hr4 h ALA 668 CO 0.08 -0.06 -0.08 0.35 0.00 0.00 0.00 179.25 179.53 3hr4 h PHE 669 N 0.76 -0.21 -0.97 0.00 3.57 -1.24 -0.75 116.94 118.09 3hr4 h PHE 669 Ca 0.55 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 62.18 3hr4 h PHE 669 Cb 0.86 0.07 -0.09 0.00 2.79 0.00 0.00 35.95 39.58 3hr4 h PHE 669 CO -0.00 0.18 0.59 0.00 -2.23 0.00 0.00 178.31 176.84 3hr4 h ARG 670 N -0.68 0.83 0.93 1.11 3.08 -0.65 1.27 114.38 120.28 3hr4 h ARG 670 Ca -0.02 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 3hr4 h ARG 670 Cb 0.49 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 30.36 3hr4 h ARG 670 CO 0.04 0.55 -0.44 0.77 -1.07 0.00 0.00 179.97 179.81 3hr4 h SER 671 N 0.85 -1.05 0.34 7.04 0.02 -0.18 0.03 113.55 120.60 3hr4 h SER 671 Ca 0.51 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.49 3hr4 h SER 671 Cb 0.63 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 3hr4 h SER 671 CO -0.32 -0.72 -0.38 -0.25 -1.14 0.00 0.00 176.83 174.02 3hr4 h TRP 672 N -1.31 -1.06 -0.43 3.45 7.01 0.15 0.20 115.95 123.97 3hr4 h TRP 672 Ca -0.13 0.01 0.09 0.00 2.11 0.00 0.00 58.89 60.97 3hr4 h TRP 672 Cb 0.95 0.42 -0.09 0.00 -2.10 0.00 0.00 29.16 28.34 3hr4 h TRP 672 CO -0.00 -0.50 -0.23 0.00 -2.79 0.00 0.00 178.44 174.92 3hr4 h ALA 673 N -1.08 0.05 -0.39 2.65 0.00 0.15 2.16 119.26 122.80 3hr4 h ALA 673 Ca -0.04 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3hr4 h ALA 673 Cb 0.64 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 3hr4 h ALA 673 CO -0.07 -0.59 0.16 0.28 0.00 0.00 0.00 179.25 179.03 3hr4 h VAL 674 N -0.15 0.93 -0.27 0.00 2.07 -0.88 0.29 116.25 118.24 3hr4 h VAL 674 Ca 0.20 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.51 3hr4 h VAL 674 Cb 0.47 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3hr4 h VAL 674 CO -0.52 0.06 -0.22 -0.61 0.02 0.00 0.00 177.57 176.30 3hr4 h GLN 675 N 0.34 0.62 0.00 1.57 5.75 0.33 -2.39 115.11 121.33 3hr4 h GLN 675 Ca 0.17 -0.31 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 3hr4 h GLN 675 Cb 0.12 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.68 3hr4 h GLN 675 CO -0.15 0.90 0.00 0.00 -2.65 0.00 0.00 178.83 176.93 3hr4 h THR 676 N 0.34 0.00 0.06 2.39 1.03 0.38 -1.66 112.91 115.46 3hr4 h THR 676 Ca 0.05 -0.49 -0.17 0.00 -0.01 0.00 0.00 66.41 65.79 3hr4 h THR 676 Cb 0.77 1.48 -0.00 0.00 -1.07 0.00 0.00 68.15 69.33 3hr4 h THR 676 CO 0.06 0.00 -0.84 0.15 -0.01 0.00 0.00 175.52 174.88 3hr4 h PHE 677 N 0.00 0.24 0.00 0.00 3.57 -0.37 -3.02 116.94 117.36 3hr4 h PHE 677 Ca 0.00 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.30 3hr4 h PHE 677 Cb 0.50 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.23 3hr4 h PHE 677 CO 0.00 1.33 -0.11 -0.22 -2.23 0.00 0.00 178.31 177.07 3hr4 h LYS 678 N -0.67 0.00 0.00 1.11 1.63 -1.33 0.35 116.57 117.66 3hr4 h LYS 678 Ca -0.19 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 3hr4 h LYS 678 Cb 1.42 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.05 3hr4 h LYS 678 CO 0.01 0.11 -0.22 0.00 -3.45 0.00 0.00 179.45 175.90 3hr4 h ALA 679 N 1.89 0.86 0.00 5.00 0.00 -1.41 -2.90 119.26 122.71 3hr4 h ALA 679 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 3hr4 h ALA 679 Cb 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3hr4 h ALA 679 CO 0.01 0.00 -1.34 0.00 0.00 0.00 0.00 179.25 177.92 3hr4 h ALA 680 N 2.41 0.66 0.00 0.00 0.00 -0.84 -3.29 119.26 118.21 3hr4 h ALA 680 Ca 0.00 -0.88 -0.07 0.00 0.00 0.00 0.00 54.91 53.96 3hr4 h ALA 680 Cb 0.79 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3hr4 h ALA 680 CO 0.00 0.98 -0.69 0.00 0.00 0.00 0.00 179.25 179.54 3hr4 h GLU 682 N 0.00 0.63 0.00 0.00 4.57 -1.64 -2.63 114.58 115.50 3hr4 h GLU 682 Ca -0.04 -0.78 0.00 0.00 -1.18 0.00 0.00 59.36 57.37 3hr4 h GLU 682 Cb 1.23 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 30.07 3hr4 h GLU 682 CO 0.03 1.34 0.00 0.25 -1.18 0.00 0.00 179.01 179.45 3hr4 n THR 683 N -3.86 0.16 -0.94 0.32 -2.24 -1.24 -3.25 114.28 103.24 3hr4 n THR 683 Ca -0.13 0.04 0.02 0.00 -2.27 0.00 0.00 64.05 61.72 3hr4 n THR 683 Cb 0.93 -0.67 0.03 0.00 -2.10 0.00 0.00 70.33 68.52 3hr4 n THR 683 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3hr4 n PHE 684 N -1.15 0.00 -3.55 4.78 3.01 -1.22 -5.05 117.46 114.27 3hr4 n PHE 684 Ca 0.14 -0.39 -0.22 0.00 1.01 0.00 0.00 57.45 57.99 3hr4 n PHE 684 Cb 0.13 -0.06 0.01 0.00 -0.01 0.00 0.00 39.48 39.55 3hr4 n PHE 684 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3hr4 n ASP 685 N -0.50 -5.69 -4.41 4.37 8.00 -1.14 -4.88 116.55 112.30 3hr4 n ASP 685 Ca 0.04 -0.57 -0.44 0.00 0.71 0.00 0.00 54.79 54.52 3hr4 n ASP 685 Cb 0.50 -2.55 -0.03 0.00 -0.02 0.00 0.00 41.12 39.02 3hr4 n ASP 685 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hr4 s VAL 686 N -2.69 4.85 0.05 2.53 1.01 -1.00 -5.00 120.40 120.15 3hr4 s VAL 686 Ca 0.09 -1.43 -0.37 0.00 0.00 0.00 0.00 61.98 60.26 3hr4 s VAL 686 Cb -0.01 -4.64 -0.19 0.00 0.00 0.00 0.00 36.38 31.54 3hr4 s VAL 686 CO 0.86 -1.33 0.97 -2.11 0.00 0.00 0.00 175.10 173.49 3hr4 n ARG 687 N 6.20 0.10 -3.50 2.72 0.00 -1.26 -0.45 116.66 120.47 3hr4 n ARG 687 Ca 0.10 0.04 -0.21 0.00 -0.00 0.00 0.00 57.85 57.78 3hr4 n ARG 687 Cb 0.47 -1.44 0.08 0.00 -0.00 0.00 0.00 32.46 31.57 3hr4 n ARG 687 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hr4 n GLY 688 N 1.68 -0.44 0.22 2.89 0.00 -1.26 -4.90 105.19 103.39 3hr4 n GLY 688 Ca 0.19 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.48 3hr4 n GLY 688 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hr4 h LYS 689 N -2.41 0.00 -0.66 1.61 2.10 -1.15 -2.32 116.57 113.74 3hr4 h LYS 689 Ca -0.54 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.11 3hr4 h LYS 689 Cb 1.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.67 3hr4 h LYS 689 CO 0.52 0.24 0.00 1.04 -2.00 0.00 0.00 179.45 179.25 3hr4 n GLN 690 N -3.70 2.66 0.00 0.07 6.02 -1.26 -3.67 117.38 117.50 3hr4 n GLN 690 Ca -0.01 -1.54 0.00 0.00 -0.01 0.00 0.00 57.00 55.44 3hr4 n GLN 690 Cb 0.36 -1.71 0.00 0.00 1.02 0.00 0.00 30.24 29.90 3hr4 n GLN 690 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3hr4 n HIS 691 N 0.41 0.00 -1.94 1.08 8.25 -0.89 -5.03 115.22 117.10 3hr4 n HIS 691 Ca 0.14 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.17 3hr4 n HIS 691 Cb 0.61 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.69 3hr4 n HIS 691 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hr4 s ILE 692 N -0.35 3.44 0.47 1.59 -1.09 -1.10 -4.97 121.20 119.19 3hr4 s ILE 692 Ca 0.00 0.50 -0.19 0.00 -2.23 0.00 0.00 60.65 58.73 3hr4 s ILE 692 Cb 0.00 -3.45 -0.09 0.00 -1.58 0.00 0.00 42.46 37.34 3hr4 s ILE 692 CO 0.00 -0.19 0.98 -1.58 -1.23 0.00 0.00 174.94 172.93 3hr4 s GLN 693 N 4.94 4.03 0.07 2.79 0.74 -1.26 -5.08 119.66 125.89 3hr4 s GLN 693 Ca 0.80 1.12 0.01 0.00 0.05 0.00 0.00 55.36 57.34 3hr4 s GLN 693 Cb -0.30 -2.14 -0.03 0.00 1.10 0.00 0.00 33.01 31.63 3hr4 s GLN 693 CO 0.32 -0.21 -0.06 0.96 -0.55 0.00 0.00 175.29 175.76 3hr4 s ILE 694 N -2.29 0.52 0.00 -2.34 -4.36 -1.26 -5.00 121.20 106.47 3hr4 s ILE 694 Ca 0.62 -1.54 0.00 0.00 -0.26 0.00 0.00 60.65 59.47 3hr4 s ILE 694 Cb -0.11 -1.18 0.00 0.00 1.25 0.00 0.00 42.46 42.42 3hr4 s ILE 694 CO 0.21 -0.70 0.58 -2.65 0.24 0.00 0.00 174.94 172.62 3hr4 n PRO 695 N 0.62 0.00 -3.38 0.37 -0.02 -1.26 -1.97 135.00 129.36 3hr4 n PRO 695 Ca -0.17 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.12 3hr4 n PRO 695 Cb 0.58 -0.86 0.07 0.00 -0.02 0.00 0.00 33.50 33.27 3hr4 n PRO 695 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3hr4 n LYS 696 N 3.33 -6.49 -1.94 -0.52 5.02 -1.26 -0.88 118.16 115.43 3hr4 n LYS 696 Ca 0.00 0.70 -0.20 0.00 -2.02 0.00 0.00 58.31 56.79 3hr4 n LYS 696 Cb 0.29 -5.34 -0.05 0.00 -0.02 0.00 0.00 35.03 29.91 3hr4 n LYS 696 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3hr4 n LEU 697 N -4.16 -1.66 0.00 -0.35 -0.00 -0.83 -5.30 117.00 104.69 3hr4 n LEU 697 Ca -0.04 0.27 0.00 0.00 -0.00 0.00 0.00 56.01 56.24 3hr4 n LEU 697 Cb 0.57 -2.81 0.00 0.00 -0.00 0.00 0.00 43.42 41.18 3hr4 n LEU 697 CO 0.54 -0.68 0.00 0.00 -0.00 0.00 0.00 177.39 177.25