#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hrh n PRO 507 N 0.00 2.99 -3.34 3.23 -0.04 -1.26 -4.92 135.00 131.65 3hrh n PRO 507 Ca 0.00 -1.85 -0.38 0.00 -0.04 0.00 0.00 63.50 61.23 3hrh n PRO 507 Cb 0.00 -2.62 -0.06 0.00 -0.04 0.00 0.00 33.50 30.78 3hrh n PRO 507 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hrh s VAL 508 N 2.60 5.03 0.16 0.52 1.01 -1.26 -4.50 120.40 123.96 3hrh s VAL 508 Ca 0.58 1.01 0.09 0.00 0.00 0.00 0.00 61.98 63.65 3hrh s VAL 508 Cb 0.15 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3hrh s VAL 508 CO -0.05 0.45 -0.11 -1.61 0.00 0.00 0.00 175.10 173.79 3hrh s GLU 509 N -0.26 2.04 -0.27 2.72 2.02 0.23 -4.93 118.70 120.24 3hrh s GLU 509 Ca 0.27 -1.21 -0.01 0.00 0.02 0.00 0.00 54.97 54.03 3hrh s GLU 509 Cb -0.17 -2.18 0.04 0.00 0.10 0.00 0.00 34.13 31.92 3hrh s GLU 509 CO 0.14 0.45 -0.04 0.71 0.02 0.00 0.00 175.26 176.54 3hrh s TYR 510 N -1.55 3.18 0.20 1.61 4.12 -1.26 -0.18 117.35 123.47 3hrh s TYR 510 Ca 0.23 -1.81 0.07 0.00 0.02 0.00 0.00 57.07 55.58 3hrh s TYR 510 Cb -0.09 -2.06 -0.04 0.00 -1.52 0.00 0.00 41.96 38.25 3hrh s TYR 510 CO 0.14 -0.79 0.11 -0.51 0.02 0.00 0.00 175.55 174.52 3hrh s LEU 511 N 1.26 3.63 -0.34 -1.29 1.43 0.61 -4.94 118.68 119.03 3hrh s LEU 511 Ca -0.03 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 52.79 3hrh s LEU 511 Cb -0.18 -2.22 0.08 0.00 0.03 0.00 0.00 46.19 43.90 3hrh s LEU 511 CO -0.03 0.04 0.07 -1.10 0.23 0.00 0.00 176.35 175.56 3hrh s GLN 512 N -3.31 2.06 -0.35 1.70 -1.52 -1.26 -1.04 119.66 115.94 3hrh s GLN 512 Ca 0.31 -1.60 -0.09 0.00 -1.95 0.00 0.00 55.36 52.03 3hrh s GLN 512 Cb -0.09 -3.30 0.03 0.00 -0.22 0.00 0.00 33.01 29.43 3hrh s GLN 512 CO 0.22 -0.84 0.16 0.08 -0.25 0.00 0.00 175.29 174.66 3hrh s VAL 513 N 1.13 4.23 0.26 1.09 1.01 -0.08 -4.88 120.40 123.15 3hrh s VAL 513 Ca 0.03 -0.94 -0.31 0.00 0.00 0.00 0.00 61.98 60.76 3hrh s VAL 513 Cb -0.21 -3.35 -0.12 0.00 0.00 0.00 0.00 36.38 32.70 3hrh s VAL 513 CO -0.04 -0.18 1.64 -2.65 0.00 0.00 0.00 175.10 173.86 3hrh n PRO 514 N 4.92 2.70 -3.82 2.72 -0.02 -1.26 0.12 135.00 140.36 3hrh n PRO 514 Ca -0.12 0.97 -0.36 0.00 -2.02 0.00 0.00 63.50 61.97 3hrh n PRO 514 Cb 0.46 -2.77 -0.12 0.00 -0.02 0.00 0.00 33.50 31.05 3hrh n PRO 514 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hrh s SER 515 N 0.73 5.16 0.31 2.55 0.15 0.19 -4.86 113.70 117.92 3hrh s SER 515 Ca 0.68 -1.90 0.02 0.00 0.70 0.00 0.00 55.95 55.45 3hrh s SER 515 Cb -0.51 -1.80 0.49 0.00 -1.71 0.00 0.00 66.02 62.50 3hrh s SER 515 CO 0.43 -0.48 1.82 0.00 1.20 0.00 0.00 173.24 176.21 3hrh h ALA 516 N 8.01 1.26 -0.03 5.45 0.00 -1.94 0.30 119.26 132.31 3hrh h ALA 516 Ca -0.14 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 3hrh h ALA 516 Cb 1.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3hrh h ALA 516 CO 0.66 0.49 -0.52 0.66 0.00 0.00 0.00 179.25 180.54 3hrh h SER 517 N 0.58 0.08 0.06 0.00 4.64 -1.94 -3.12 113.55 113.85 3hrh h SER 517 Ca 0.12 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3hrh h SER 517 Cb 0.40 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3hrh h SER 517 CO 0.02 0.60 -1.00 0.23 -0.87 0.00 0.00 176.83 175.80 3hrh n MET 518 N -3.92 0.04 -1.86 4.77 2.81 -1.04 -4.87 117.12 113.04 3hrh n MET 518 Ca -0.02 -0.01 -0.10 0.00 -1.81 0.00 0.00 57.70 55.76 3hrh n MET 518 Cb 0.54 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.53 3hrh n MET 518 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hrh n GLY 519 N 1.49 0.40 3.64 3.03 0.00 0.10 -4.79 105.19 109.05 3hrh n GLY 519 Ca 0.04 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 3hrh n GLY 519 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hrh s ARG 520 N -3.91 1.79 -0.06 1.61 1.70 -1.02 -5.00 118.95 114.07 3hrh s ARG 520 Ca 0.00 -1.37 -0.13 0.00 -0.47 0.00 0.00 55.73 53.75 3hrh s ARG 520 Cb 0.00 0.51 -0.05 0.00 -0.57 0.00 0.00 34.95 34.84 3hrh s ARG 520 CO 0.00 -0.77 0.34 -0.51 -1.08 0.00 0.00 175.30 173.28 3hrh s ASP 521 N -3.07 6.65 -0.24 -2.89 -0.00 -1.26 0.53 116.67 116.39 3hrh s ASP 521 Ca 0.22 0.78 -0.07 0.00 -0.00 0.00 0.00 52.55 53.47 3hrh s ASP 521 Cb -0.02 -2.21 -0.03 0.00 -0.00 0.00 0.00 42.92 40.66 3hrh s ASP 521 CO 0.12 0.28 0.06 -0.63 -0.00 0.00 0.00 175.17 175.00 3hrh s ILE 522 N -0.67 4.27 0.19 0.77 -1.09 0.12 -4.88 121.20 119.91 3hrh s ILE 522 Ca 0.21 -0.19 -0.30 0.00 -2.23 0.00 0.00 60.65 58.14 3hrh s ILE 522 Cb -0.15 -2.99 -0.08 0.00 -1.58 0.00 0.00 42.46 37.66 3hrh s ILE 522 CO 0.10 0.35 1.26 -0.75 -1.23 0.00 0.00 174.94 174.67 3hrh s LYS 523 N 1.52 4.43 -0.05 2.79 2.20 -1.26 -0.90 119.74 128.47 3hrh s LYS 523 Ca 0.06 1.98 0.00 0.00 -0.36 0.00 0.00 55.97 57.65 3hrh s LYS 523 Cb -0.15 -3.21 0.03 0.00 -1.51 0.00 0.00 37.83 32.98 3hrh s LYS 523 CO 0.03 -0.18 -0.02 0.08 -0.36 0.00 0.00 175.35 174.90 3hrh s VAL 524 N 0.04 0.37 -0.06 4.02 1.01 -0.20 -0.86 120.40 124.72 3hrh s VAL 524 Ca 0.55 0.03 -0.20 0.00 0.00 0.00 0.00 61.98 62.36 3hrh s VAL 524 Cb -0.35 -0.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.52 3hrh s VAL 524 CO 0.38 0.21 0.56 -1.10 0.00 0.00 0.00 175.10 175.15 3hrh s GLN 525 N 1.31 4.33 0.01 2.72 -0.21 0.02 -0.29 119.66 127.55 3hrh s GLN 525 Ca -0.05 0.64 0.01 0.00 0.02 0.00 0.00 55.36 55.98 3hrh s GLN 525 Cb -0.13 -3.39 -0.01 0.00 1.00 0.00 0.00 33.01 30.48 3hrh s GLN 525 CO -0.02 0.25 -0.04 0.12 -2.12 0.00 0.00 175.29 173.48 3hrh s PHE 526 N 0.25 0.35 -0.06 0.91 5.36 0.74 -0.86 117.98 124.68 3hrh s PHE 526 Ca 0.30 -0.16 -0.01 0.00 -0.96 0.00 0.00 56.93 56.10 3hrh s PHE 526 Cb -0.17 -0.23 0.03 0.00 -0.34 0.00 0.00 43.02 42.31 3hrh s PHE 526 CO 0.15 -0.03 0.01 -1.14 -1.46 0.00 0.00 175.22 172.74 3hrh s GLN 527 N -0.40 0.50 0.15 10.12 0.74 -0.82 0.75 119.66 130.71 3hrh s GLN 527 Ca -0.02 0.13 -0.02 0.00 0.05 0.00 0.00 55.36 55.50 3hrh s GLN 527 Cb -0.03 -0.86 0.03 0.00 1.10 0.00 0.00 33.01 33.25 3hrh s GLN 527 CO -0.00 -0.28 0.21 0.41 -0.55 0.00 0.00 175.29 175.08 3hrh n GLY 528 N 5.02 -0.86 0.00 2.59 0.00 -1.26 -0.04 105.19 110.64 3hrh n GLY 528 Ca -0.09 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.20 3hrh n GLY 528 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrh n GLY 529 N 3.60 -0.37 0.00 -0.02 0.00 -1.26 -4.56 105.19 102.59 3hrh n GLY 529 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3hrh n GLY 529 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrh n GLY 530 N 0.00 1.28 0.27 -0.02 0.00 -1.26 -3.40 105.19 102.07 3hrh n GLY 530 Ca 0.00 -0.55 0.14 0.00 0.00 0.00 0.00 46.02 45.61 3hrh n GLY 530 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hrh h PRO 531 N 0.00 0.00 -5.87 1.61 0.13 -1.84 -3.32 132.00 122.70 3hrh h PRO 531 Ca 0.00 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.49 3hrh h PRO 531 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 3hrh h PRO 531 CO 0.00 0.10 -0.51 -1.01 -0.23 0.00 0.00 178.00 176.34 3hrh s HIS 532 N -4.11 3.48 0.16 1.56 3.76 -1.26 0.73 115.29 119.61 3hrh s HIS 532 Ca -0.02 0.31 0.04 0.00 -0.15 0.00 0.00 55.06 55.23 3hrh s HIS 532 Cb 0.13 -1.80 -0.05 0.00 1.11 0.00 0.00 32.58 31.97 3hrh s HIS 532 CO 0.57 0.62 -0.08 0.00 -0.85 0.00 0.00 174.74 174.99 3hrh s ALA 533 N -1.32 1.50 -0.26 -1.40 0.00 -1.26 -0.87 121.76 118.15 3hrh s ALA 533 Ca 0.27 -1.54 -0.06 0.00 0.00 0.00 0.00 51.96 50.63 3hrh s ALA 533 Cb -0.12 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 3hrh s ALA 533 CO 0.19 -0.14 0.04 0.08 0.00 0.00 0.00 175.76 175.93 3hrh s VAL 534 N -3.36 3.93 -0.41 0.00 1.01 -0.24 -1.26 120.40 120.07 3hrh s VAL 534 Ca 0.19 -0.43 -0.23 0.00 0.00 0.00 0.00 61.98 61.50 3hrh s VAL 534 Cb 0.03 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.54 3hrh s VAL 534 CO 0.02 0.28 0.81 -0.31 0.00 0.00 0.00 175.10 175.89 3hrh s TYR 535 N 1.54 3.05 -0.49 5.22 1.51 0.14 -1.13 117.35 127.19 3hrh s TYR 535 Ca 0.05 0.40 -0.16 0.00 -1.01 0.00 0.00 57.07 56.35 3hrh s TYR 535 Cb -0.16 -3.57 0.07 0.00 -0.11 0.00 0.00 41.96 38.20 3hrh s TYR 535 CO 0.01 -0.87 0.47 -0.51 -1.11 0.00 0.00 175.55 173.54 3hrh s LEU 536 N 3.26 5.48 0.25 -1.29 1.43 0.44 -0.63 118.68 127.62 3hrh s LEU 536 Ca 0.32 -1.25 -0.21 0.00 -1.03 0.00 0.00 54.13 51.96 3hrh s LEU 536 Cb -0.12 -2.25 -0.09 0.00 0.03 0.00 0.00 46.19 43.76 3hrh s LEU 536 CO 0.20 -0.73 0.77 -0.76 0.23 0.00 0.00 176.35 176.06 3hrh s LEU 537 N 1.91 4.32 0.82 1.79 1.43 -0.20 -4.18 118.68 124.57 3hrh s LEU 537 Ca 0.07 1.50 -0.09 0.00 -1.03 0.00 0.00 54.13 54.58 3hrh s LEU 537 Cb -0.23 -3.72 0.14 0.00 0.03 0.00 0.00 46.19 42.41 3hrh s LEU 537 CO 0.08 -0.01 1.14 -0.62 0.23 0.00 0.00 176.35 177.17 3hrh s ASP 538 N -1.69 3.91 0.35 2.29 -1.08 -1.26 -4.25 116.67 114.94 3hrh s ASP 538 Ca 0.45 0.08 0.00 0.00 -0.52 0.00 0.00 52.55 52.57 3hrh s ASP 538 Cb -0.16 -0.37 0.02 0.00 -1.46 0.00 0.00 42.92 40.94 3hrh s ASP 538 CO 0.21 -2.19 0.12 0.61 0.52 0.00 0.00 175.17 174.45 3hrh n GLY 539 N -3.26 1.00 0.37 2.66 0.00 -1.26 -4.01 105.19 100.69 3hrh n GLY 539 Ca 0.14 -2.00 0.13 0.00 0.00 0.00 0.00 46.02 44.29 3hrh n GLY 539 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hrh h LEU 540 N 0.00 0.73 -3.55 0.99 5.85 -1.94 -2.37 115.31 115.02 3hrh h LEU 540 Ca -0.04 0.08 -0.42 0.00 0.84 0.00 0.00 57.88 58.34 3hrh h LEU 540 Cb 0.16 -0.06 -0.23 0.00 0.37 0.00 0.00 40.66 40.90 3hrh h LEU 540 CO 0.05 0.29 0.53 0.54 -0.34 0.00 0.00 178.44 179.51 3hrh n ARG 541 N -4.69 2.01 -1.54 1.25 1.74 -1.26 -1.31 116.66 112.86 3hrh n ARG 541 Ca 0.22 -2.30 -0.53 0.00 -0.77 0.00 0.00 57.85 54.46 3hrh n ARG 541 Cb 0.56 -1.90 -0.06 0.00 -1.02 0.00 0.00 32.46 30.04 3hrh n ARG 541 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hrh n ALA 542 N -0.65 -1.94 -2.38 7.54 0.00 -0.89 -4.96 120.51 117.23 3hrh n ALA 542 Ca 0.46 0.52 -0.21 0.00 0.00 0.00 0.00 53.44 54.21 3hrh n ALA 542 Cb 1.23 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3hrh n ALA 542 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3hrh s GLN 543 N -0.02 3.06 0.00 0.00 -0.21 -1.26 -3.99 119.66 117.24 3hrh s GLN 543 Ca 0.82 -0.80 0.26 0.00 0.02 0.00 0.00 55.36 55.65 3hrh s GLN 543 Cb -1.03 -2.70 0.63 0.00 1.00 0.00 0.00 33.01 30.92 3hrh s GLN 543 CO 0.52 -0.12 1.50 -0.25 -2.12 0.00 0.00 175.29 174.82 3hrh n ASP 544 N -1.85 1.76 -0.13 5.90 10.43 -1.26 -1.42 116.55 129.98 3hrh n ASP 544 Ca 0.01 -1.44 -0.25 0.00 2.57 0.00 0.00 54.79 55.68 3hrh n ASP 544 Cb 0.58 0.11 -0.10 0.00 1.84 0.00 0.00 41.12 43.55 3hrh n ASP 544 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 3hrh n ASP 545 N 0.17 1.89 -3.90 -2.24 3.85 -1.26 -4.80 116.55 110.25 3hrh n ASP 545 Ca 0.15 0.22 -0.11 0.00 -0.71 0.00 0.00 54.79 54.34 3hrh n ASP 545 Cb 0.42 -0.68 -0.11 0.00 -1.35 0.00 0.00 41.12 39.40 3hrh n ASP 545 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 3hrh s TYR 546 N -2.47 0.06 0.40 2.11 2.02 -1.26 -5.05 117.35 113.16 3hrh s TYR 546 Ca -0.35 -0.13 -0.26 0.00 -0.37 0.00 0.00 57.07 55.96 3hrh s TYR 546 Cb 0.13 -0.06 -0.09 0.00 -0.40 0.00 0.00 41.96 41.54 3hrh s TYR 546 CO 0.48 -0.16 1.25 1.21 -1.57 0.00 0.00 175.55 176.75 3hrh s ASN 547 N -0.88 6.39 0.56 2.29 3.84 -1.26 -4.30 114.94 121.58 3hrh s ASN 547 Ca -0.10 2.53 0.27 0.00 0.21 0.00 0.00 52.86 55.78 3hrh s ASN 547 Cb -0.06 -2.63 1.48 0.00 -0.55 0.00 0.00 41.25 39.49 3hrh s ASN 547 CO 0.00 -0.78 1.99 1.23 -2.79 0.00 0.00 177.10 176.75 3hrh h GLY 548 N 2.67 0.00 1.56 1.21 0.00 -1.93 -1.63 103.07 104.96 3hrh h GLY 548 Ca -0.49 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.72 3hrh h GLY 548 CO 0.63 0.00 -0.34 1.49 0.00 0.00 0.00 176.54 178.31 3hrh h TRP 549 N 0.00 0.58 0.04 5.60 4.06 -1.91 -1.48 115.95 122.83 3hrh h TRP 549 Ca 0.21 -0.15 -0.22 0.00 2.06 0.00 0.00 58.89 60.79 3hrh h TRP 549 Cb 0.97 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.99 3hrh h TRP 549 CO 0.00 0.78 -1.00 0.22 -3.56 0.00 0.00 178.44 174.88 3hrh h ASP 550 N 0.42 0.25 -0.14 -3.49 -0.00 -1.52 -1.26 116.42 110.69 3hrh h ASP 550 Ca 0.05 -0.23 -0.07 0.00 -0.00 0.00 0.00 57.03 56.77 3hrh h ASP 550 Cb 0.80 -0.08 -0.00 0.00 -0.00 0.00 0.00 39.33 40.05 3hrh h ASP 550 CO 0.07 1.10 -0.20 0.40 -0.00 0.00 0.00 179.24 180.61 3hrh h ILE 551 N 0.08 1.36 -0.01 2.25 2.04 -1.41 -3.37 117.51 118.45 3hrh h ILE 551 Ca -0.06 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.37 3hrh h ILE 551 Cb 1.69 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 39.73 3hrh h ILE 551 CO 0.15 0.42 -0.53 0.59 0.00 0.00 0.00 178.15 178.78 3hrh n ASN 552 N -4.50 1.72 -4.02 1.72 3.02 -0.57 -5.02 115.26 107.62 3hrh n ASN 552 Ca -0.06 -1.36 -0.09 0.00 -0.03 0.00 0.00 54.58 53.03 3hrh n ASN 552 Cb 0.41 0.58 -0.08 0.00 -0.61 0.00 0.00 39.78 40.07 3hrh n ASN 552 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3hrh s THR 553 N -2.41 0.10 -0.31 3.41 -4.23 -0.47 -4.82 115.64 106.91 3hrh s THR 553 Ca 0.15 -1.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 3hrh s THR 553 Cb 0.16 -1.81 0.30 0.00 1.34 0.00 0.00 72.50 72.49 3hrh s THR 553 CO 0.58 -0.46 1.77 -2.65 -0.54 0.00 0.00 174.62 173.31 3hrh n PRO 554 N -0.12 1.80 -0.21 3.99 -0.02 -1.26 -4.45 135.00 134.73 3hrh n PRO 554 Ca -0.08 -1.72 -0.08 0.00 -2.02 0.00 0.00 63.50 59.60 3hrh n PRO 554 Cb 0.63 -1.67 -0.03 0.00 -0.02 0.00 0.00 33.50 32.40 3hrh n PRO 554 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hrh h ALA 555 N 1.50 -0.31 -0.78 3.55 0.00 -1.93 0.19 119.26 121.47 3hrh h ALA 555 Ca 0.34 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.42 3hrh h ALA 555 Cb 1.44 0.96 -0.06 0.00 0.00 0.00 0.00 17.79 20.13 3hrh h ALA 555 CO 0.74 -0.82 0.47 0.74 0.00 0.00 0.00 179.25 180.38 3hrh h PHE 556 N -0.22 0.87 -0.30 0.00 0.05 -1.90 -1.59 116.94 113.85 3hrh h PHE 556 Ca 0.18 0.03 -0.05 0.00 3.82 0.00 0.00 57.97 61.95 3hrh h PHE 556 Cb 0.56 -0.28 -0.01 0.00 2.00 0.00 0.00 35.95 38.23 3hrh h PHE 556 CO -0.71 0.43 -0.00 1.49 -0.18 0.00 0.00 178.31 179.34 3hrh h GLU 557 N 0.86 0.52 0.00 1.51 4.81 -1.67 -1.69 114.58 118.93 3hrh h GLU 557 Ca 0.35 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3hrh h GLU 557 Cb 0.18 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 3hrh h GLU 557 CO -0.18 0.67 -0.04 0.93 -0.73 0.00 0.00 179.01 179.66 3hrh h GLU 558 N 0.31 0.00 -0.46 1.92 5.08 -0.10 -2.33 114.58 119.00 3hrh h GLU 558 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3hrh h GLU 558 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3hrh h GLU 558 CO 0.02 0.04 0.00 0.66 -1.00 0.00 0.00 179.01 178.73 3hrh n TYR 559 N -4.29 0.60 -2.05 4.33 4.02 -0.65 -4.91 117.16 114.22 3hrh n TYR 559 Ca -0.03 -0.39 -0.42 0.00 -0.01 0.00 0.00 57.90 57.05 3hrh n TYR 559 Cb 0.13 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.41 3hrh n TYR 559 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 3hrh s TYR 560 N -1.11 3.11 -1.39 -0.72 6.14 -0.65 -2.27 117.35 120.46 3hrh s TYR 560 Ca 0.35 0.76 0.00 0.00 0.64 0.00 0.00 57.07 58.82 3hrh s TYR 560 Cb 0.19 -3.81 0.00 0.00 0.42 0.00 0.00 41.96 38.76 3hrh s TYR 560 CO 0.25 -2.95 0.00 1.04 0.64 0.00 0.00 175.55 174.53 3hrh n GLN 561 N 4.07 -1.14 0.00 4.97 6.02 -1.26 -4.89 117.38 125.15 3hrh n GLN 561 Ca 0.13 0.84 0.13 0.00 -0.01 0.00 0.00 57.00 58.09 3hrh n GLN 561 Cb 0.40 -5.09 0.47 0.00 1.02 0.00 0.00 30.24 27.04 3hrh n GLN 561 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3hrh n SER 562 N -0.69 0.75 0.00 1.08 3.41 -0.96 -4.89 113.62 112.32 3hrh n SER 562 Ca -0.17 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.75 3hrh n SER 562 Cb 0.58 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 3hrh n SER 562 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hrh n GLY 563 N 1.33 0.67 3.19 5.00 0.00 -1.25 -4.97 105.19 109.15 3hrh n GLY 563 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 3hrh n GLY 563 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hrh s LEU 564 N 0.00 2.21 0.32 0.99 1.43 -1.22 -4.11 118.68 118.30 3hrh s LEU 564 Ca 0.00 -0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 52.50 3hrh s LEU 564 Cb 0.00 -0.69 -0.06 0.00 0.03 0.00 0.00 46.19 45.47 3hrh s LEU 564 CO 0.00 0.04 0.62 -0.44 0.23 0.00 0.00 176.35 176.79 3hrh s SER 565 N -1.36 6.48 -0.12 2.29 0.01 -0.05 -4.26 113.70 116.69 3hrh s SER 565 Ca 0.03 0.85 0.03 0.00 1.31 0.00 0.00 55.95 58.16 3hrh s SER 565 Cb -0.09 -2.20 0.01 0.00 0.21 0.00 0.00 66.02 63.95 3hrh s SER 565 CO 0.02 -0.25 -0.20 -0.69 0.41 0.00 0.00 173.24 172.53 3hrh s VAL 566 N -2.15 1.84 -0.15 3.43 1.01 0.95 -1.08 120.40 124.25 3hrh s VAL 566 Ca 0.46 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.59 3hrh s VAL 566 Cb -0.11 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.64 3hrh s VAL 566 CO 0.30 0.51 -0.17 -0.63 0.00 0.00 0.00 175.10 175.10 3hrh s ILE 567 N 0.74 2.49 -0.35 2.22 1.01 -0.28 -1.95 121.20 125.08 3hrh s ILE 567 Ca -0.10 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.74 3hrh s ILE 567 Cb -0.16 -2.04 0.10 0.00 0.01 0.00 0.00 42.46 40.38 3hrh s ILE 567 CO 0.01 0.52 0.09 -0.04 0.00 0.00 0.00 174.94 175.52 3hrh s MET 568 N 0.86 1.28 0.56 2.79 -1.94 -0.04 -0.42 119.30 122.38 3hrh s MET 568 Ca -0.05 -1.70 -0.19 0.00 -1.71 0.00 0.00 55.69 52.04 3hrh s MET 568 Cb -0.15 -2.82 -0.05 0.00 2.01 0.00 0.00 34.83 33.82 3hrh s MET 568 CO -0.01 -0.97 1.13 -2.14 -0.01 0.00 0.00 175.02 173.01 3hrh s PRO 569 N 1.01 3.29 -0.06 2.03 0.02 -1.26 -0.80 135.00 139.23 3hrh s PRO 569 Ca 0.11 1.58 0.04 0.00 0.02 0.00 0.00 61.00 62.76 3hrh s PRO 569 Cb -0.19 -2.00 -0.02 0.00 0.02 0.00 0.00 34.50 32.31 3hrh s PRO 569 CO -0.12 -0.90 -0.18 0.08 -0.33 0.00 0.00 177.00 175.55 3hrh s VAL 570 N -1.85 2.68 0.00 3.83 1.01 -0.04 -4.57 120.40 121.47 3hrh s VAL 570 Ca 0.72 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.85 3hrh s VAL 570 Cb -0.23 -2.03 0.00 0.00 0.00 0.00 0.00 36.38 34.12 3hrh s VAL 570 CO 0.29 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.57 3hrh n GLY 571 N 2.61 -2.10 0.79 4.51 0.00 -0.51 -4.39 105.19 106.10 3hrh n GLY 571 Ca -0.17 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.77 3hrh n GLY 571 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrh n GLY 572 N -0.01 1.34 3.65 -0.02 0.00 -1.26 -4.78 105.19 104.11 3hrh n GLY 572 Ca 0.00 -0.35 -0.50 0.00 0.00 0.00 0.00 46.02 45.16 3hrh n GLY 572 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hrh n GLN 573 N -1.03 1.63 -1.61 1.61 7.27 -1.26 -0.91 117.38 123.08 3hrh n GLN 573 Ca 0.00 0.59 -0.16 0.00 0.07 0.00 0.00 57.00 57.50 3hrh n GLN 573 Cb 0.19 -2.31 -0.06 0.00 2.41 0.00 0.00 30.24 30.47 3hrh n GLN 573 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 3hrh n SER 574 N 3.83 -4.39 0.11 1.69 7.64 -0.43 -4.84 113.62 117.23 3hrh n SER 574 Ca 0.20 0.36 0.02 0.00 1.01 0.00 0.00 58.87 60.46 3hrh n SER 574 Cb 0.23 -3.94 -0.01 0.00 -1.01 0.00 0.00 64.21 59.48 3hrh n SER 574 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3hrh h SER 575 N 0.00 0.00 -0.56 6.43 4.64 -1.33 -3.47 113.55 119.25 3hrh h SER 575 Ca -0.34 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 60.74 3hrh h SER 575 Cb 1.10 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.09 3hrh h SER 575 CO 0.49 0.49 -0.22 0.49 -0.87 0.00 0.00 176.83 177.21 3hrh n PHE 576 N -3.10 0.00 -3.75 4.77 3.01 -1.26 -2.68 117.46 114.45 3hrh n PHE 576 Ca -0.01 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.16 3hrh n PHE 576 Cb 0.75 -2.66 -0.02 0.00 -0.01 0.00 0.00 39.48 37.54 3hrh n PHE 576 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3hrh n TYR 577 N -2.33 -1.77 -4.35 1.38 4.02 -1.26 -4.81 117.16 108.05 3hrh n TYR 577 Ca -0.12 0.60 -0.27 0.00 -0.01 0.00 0.00 57.90 58.10 3hrh n TYR 577 Cb 0.55 -2.82 -0.07 0.00 -0.02 0.00 0.00 39.34 36.98 3hrh n TYR 577 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 3hrh s THR 578 N -3.05 1.92 -0.30 -0.72 -1.32 -1.09 -3.00 115.64 108.08 3hrh s THR 578 Ca 0.55 -1.81 -0.18 0.00 -1.21 0.00 0.00 61.69 59.04 3hrh s THR 578 Cb -0.30 -2.73 -0.02 0.00 -1.51 0.00 0.00 72.50 67.95 3hrh s THR 578 CO 0.68 0.00 0.53 -1.81 -2.21 0.00 0.00 174.62 171.81 3hrh s ASP 579 N -3.90 6.40 0.54 8.08 1.11 -1.26 -2.47 116.67 125.17 3hrh s ASP 579 Ca 0.32 0.31 -0.13 0.00 0.18 0.00 0.00 52.55 53.22 3hrh s ASP 579 Cb 0.04 -2.28 -0.06 0.00 1.07 0.00 0.00 42.92 41.69 3hrh s ASP 579 CO 0.17 -0.39 0.97 0.26 1.18 0.00 0.00 175.17 177.37 3hrh s TRP 580 N 2.39 3.53 0.22 4.23 0.52 -0.14 -4.93 118.94 124.77 3hrh s TRP 580 Ca 0.21 1.32 0.04 0.00 0.02 0.00 0.00 56.10 57.69 3hrh s TRP 580 Cb -0.15 -2.70 0.20 0.00 -1.15 0.00 0.00 33.47 29.67 3hrh s TRP 580 CO 0.11 -0.46 1.53 1.88 0.02 0.00 0.00 176.95 180.03 3hrh h TYR 581 N 0.43 0.31 -2.83 -1.98 0.05 -0.97 -3.46 116.97 108.52 3hrh h TYR 581 Ca -0.46 -0.13 0.08 0.00 0.05 0.00 0.00 58.73 58.27 3hrh h TYR 581 Cb 1.19 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 38.83 3hrh h TYR 581 CO 0.64 0.82 0.32 1.14 -1.05 0.00 0.00 178.16 180.02 3hrh s GLN 582 N -3.67 1.73 0.63 4.88 -2.07 -0.96 -5.07 119.66 115.14 3hrh s GLN 582 Ca -0.04 -1.01 -0.18 0.00 -1.82 0.00 0.00 55.36 52.31 3hrh s GLN 582 Cb 0.12 0.56 -0.02 0.00 -1.09 0.00 0.00 33.01 32.57 3hrh s GLN 582 CO 0.80 -0.80 1.18 -2.30 -1.32 0.00 0.00 175.29 172.86 3hrh n PRO 583 N -0.49 1.05 -1.74 9.60 -0.02 -1.26 -4.61 135.00 137.53 3hrh n PRO 583 Ca -0.05 0.41 -0.43 0.00 -2.02 0.00 0.00 63.50 61.41 3hrh n PRO 583 Cb 0.60 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 3hrh n PRO 583 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3hrh s SER 584 N -1.32 5.73 -1.17 2.55 0.15 -1.26 -4.86 113.70 113.52 3hrh s SER 584 Ca 0.80 1.82 -0.20 0.00 0.70 0.00 0.00 55.95 59.06 3hrh s SER 584 Cb -0.39 -2.52 0.05 0.00 -1.71 0.00 0.00 66.02 61.45 3hrh s SER 584 CO 0.43 -1.75 1.63 -1.10 1.20 0.00 0.00 173.24 173.64 3hrh s GLN 585 N 5.86 3.74 0.00 5.44 -1.52 -1.26 -3.74 119.66 128.18 3hrh s GLN 585 Ca 0.92 -1.55 0.00 0.00 -1.95 0.00 0.00 55.36 52.78 3hrh s GLN 585 Cb -0.31 -5.44 0.00 0.00 -0.22 0.00 0.00 33.01 27.04 3hrh s GLN 585 CO 0.35 -2.32 0.00 -1.13 -0.25 0.00 0.00 175.29 171.94 3hrh n SER 586 N 8.93 0.00 -0.85 5.90 3.41 -1.26 -4.80 113.62 124.96 3hrh n SER 586 Ca 0.42 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 59.10 3hrh n SER 586 Cb 0.48 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.66 3hrh n SER 586 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hrh n ASN 587 N 0.00 3.60 -0.79 4.04 0.23 -1.25 -4.96 115.26 116.12 3hrh n ASN 587 Ca 0.00 -2.59 -0.10 0.00 -0.53 0.00 0.00 54.58 51.36 3hrh n ASN 587 Cb 0.00 -0.43 -0.04 0.00 -2.08 0.00 0.00 39.78 37.23 3hrh n ASN 587 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hrh n GLY 588 N 0.00 1.18 3.67 4.83 0.00 -1.26 -4.94 105.19 108.68 3hrh n GLY 588 Ca 0.18 -0.56 -0.46 0.00 0.00 0.00 0.00 46.02 45.18 3hrh n GLY 588 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hrh n GLN 589 N -2.70 2.20 -0.77 1.61 7.27 -1.25 -4.86 117.38 118.88 3hrh n GLN 589 Ca -0.10 0.80 0.07 0.00 0.07 0.00 0.00 57.00 57.83 3hrh n GLN 589 Cb 0.34 -2.59 0.36 0.00 2.41 0.00 0.00 30.24 30.76 3hrh n GLN 589 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 3hrh n ASN 590 N 4.22 5.15 -3.67 1.69 2.04 -1.26 -4.53 115.26 118.89 3hrh n ASN 590 Ca 0.18 -2.77 -0.10 0.00 -0.44 0.00 0.00 54.58 51.45 3hrh n ASN 590 Cb 0.29 -0.65 -0.03 0.00 -2.53 0.00 0.00 39.78 36.86 3hrh n ASN 590 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 3hrh s TYR 591 N -2.47 -0.24 -0.22 -2.53 -0.85 -1.26 -5.08 117.35 104.70 3hrh s TYR 591 Ca 0.49 -0.08 -0.11 0.00 -0.52 0.00 0.00 57.07 56.84 3hrh s TYR 591 Cb 0.36 0.47 -0.05 0.00 0.38 0.00 0.00 41.96 43.13 3hrh s TYR 591 CO 0.16 -0.93 0.20 0.99 -1.52 0.00 0.00 175.55 174.45 3hrh s THR 592 N -3.84 5.34 0.28 -3.49 2.01 -1.26 -4.30 115.64 110.38 3hrh s THR 592 Ca 0.07 0.29 -0.30 0.00 0.31 0.00 0.00 61.69 62.05 3hrh s THR 592 Cb -0.02 -3.54 -0.11 0.00 0.01 0.00 0.00 72.50 68.85 3hrh s THR 592 CO -0.05 0.35 1.57 -0.31 -0.69 0.00 0.00 174.62 175.49 3hrh s TYR 593 N 0.95 2.82 -0.33 4.92 2.02 -1.26 -4.64 117.35 121.82 3hrh s TYR 593 Ca 0.10 0.81 0.17 0.00 -0.37 0.00 0.00 57.07 57.78 3hrh s TYR 593 Cb -0.13 -4.02 0.44 0.00 -0.40 0.00 0.00 41.96 37.84 3hrh s TYR 593 CO 0.04 -3.44 0.91 1.63 -1.57 0.00 0.00 175.55 173.12 3hrh n LYS 594 N 2.31 1.11 0.21 -0.62 4.76 -1.26 -0.96 118.16 123.71 3hrh n LYS 594 Ca 0.08 -3.28 0.05 0.00 -2.87 0.00 0.00 58.31 52.30 3hrh n LYS 594 Cb 0.38 -1.34 0.47 0.00 -1.84 0.00 0.00 35.03 32.70 3hrh n LYS 594 CO 0.00 0.00 0.00 -1.49 -1.37 0.00 0.00 177.40 174.54 3hrh h TRP 595 N 3.00 0.00 -0.28 2.13 4.06 -1.74 -1.29 115.95 121.83 3hrh h TRP 595 Ca -0.06 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.83 3hrh h TRP 595 Cb 1.14 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.29 3hrh h TRP 595 CO 0.49 0.27 -0.08 1.49 -3.56 0.00 0.00 178.44 177.05 3hrh h GLU 596 N 0.00 0.54 -0.74 0.49 4.81 -1.65 0.13 114.58 118.16 3hrh h GLU 596 Ca -0.00 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 58.98 3hrh h GLU 596 Cb 0.53 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 3hrh h GLU 596 CO 0.04 0.76 0.33 1.15 -0.73 0.00 0.00 179.01 180.56 3hrh h THR 597 N 0.30 1.25 -0.47 0.32 2.02 -1.86 -1.34 112.91 113.13 3hrh h THR 597 Ca 0.07 -0.72 -0.04 0.00 0.77 0.00 0.00 66.41 66.49 3hrh h THR 597 Cb 0.57 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3hrh h THR 597 CO 0.03 0.30 0.15 0.15 0.37 0.00 0.00 175.52 176.52 3hrh h PHE 598 N 1.05 0.74 0.00 3.16 3.57 -1.02 -1.35 116.94 123.10 3hrh h PHE 598 Ca 0.25 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 3hrh h PHE 598 Cb 0.16 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.67 3hrh h PHE 598 CO 0.01 0.66 -0.24 -0.07 -2.23 0.00 0.00 178.31 176.44 3hrh h LEU 599 N 0.61 0.00 -0.59 0.59 3.38 -0.72 0.12 115.31 118.71 3hrh h LEU 599 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3hrh h LEU 599 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3hrh h LEU 599 CO -0.01 0.24 -0.35 0.35 0.09 0.00 0.00 178.44 178.77 3hrh n THR 600 N -3.30 0.00 0.09 0.22 -2.24 -0.53 -4.45 114.28 104.08 3hrh n THR 600 Ca 0.01 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3hrh n THR 600 Cb 0.50 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 3hrh n THR 600 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hrh n ARG 601 N -0.49 0.00 0.09 -0.78 3.00 -0.52 -4.86 116.66 113.10 3hrh n ARG 601 Ca 0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 57.85 57.75 3hrh n ARG 601 Cb 0.24 -0.10 -0.08 0.00 0.00 0.00 0.00 32.46 32.52 3hrh n ARG 601 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3hrh h GLU 602 N 0.00 -0.20 -0.02 5.56 5.08 -1.51 -2.31 114.58 121.19 3hrh h GLU 602 Ca 0.00 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3hrh h GLU 602 Cb 0.00 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3hrh h GLU 602 CO 0.00 0.08 -0.01 1.98 -1.00 0.00 0.00 179.01 180.06 3hrh h MET 603 N -0.48 0.04 -0.87 2.33 4.05 -1.03 -2.07 114.93 116.90 3hrh h MET 603 Ca -0.02 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.41 3hrh h MET 603 Cb 0.37 -0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.12 3hrh h MET 603 CO 0.04 0.45 0.57 -1.00 0.23 0.00 0.00 176.91 177.19 3hrh h PRO 604 N -0.37 1.08 -0.47 0.39 0.13 -1.76 -0.27 132.00 130.72 3hrh h PRO 604 Ca 0.00 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3hrh h PRO 604 Cb 0.44 -0.24 -0.02 0.00 0.13 0.00 0.00 31.00 31.30 3hrh h PRO 604 CO 0.00 0.71 0.30 0.00 -0.23 0.00 0.00 178.00 178.79 3hrh h ALA 605 N 1.48 0.60 -0.34 -0.56 0.00 -1.36 -0.25 119.26 118.82 3hrh h ALA 605 Ca 0.34 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3hrh h ALA 605 Cb -0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3hrh h ALA 605 CO -0.09 0.07 0.19 2.35 0.00 0.00 0.00 179.25 181.77 3hrh h TRP 606 N 0.64 0.47 0.00 0.00 7.01 -0.63 -2.08 115.95 121.36 3hrh h TRP 606 Ca 0.17 -0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.08 3hrh h TRP 606 Cb -0.04 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 26.86 3hrh h TRP 606 CO -0.04 0.36 -0.38 -0.07 -2.79 0.00 0.00 178.44 175.52 3hrh h LEU 607 N 0.43 0.00 -0.03 0.65 3.38 -0.79 -2.34 115.31 116.62 3hrh h LEU 607 Ca 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3hrh h LEU 607 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3hrh h LEU 607 CO -0.02 0.38 -0.17 -0.61 0.09 0.00 0.00 178.44 178.11 3hrh h GLN 608 N 0.00 0.17 0.16 1.13 4.15 -0.81 -0.95 115.11 118.96 3hrh h GLN 608 Ca -0.00 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.27 3hrh h GLN 608 Cb 0.72 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.45 3hrh h GLN 608 CO 0.05 0.82 -0.08 0.00 -1.93 0.00 0.00 178.83 177.69 3hrh h ALA 609 N 0.35 -0.22 0.02 3.38 0.00 -1.35 -2.04 119.26 119.41 3hrh h ALA 609 Ca -0.01 -0.08 -0.27 0.00 0.00 0.00 0.00 54.91 54.55 3hrh h ALA 609 Cb 0.85 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 3hrh h ALA 609 CO 0.04 -0.59 -1.46 -0.91 0.00 0.00 0.00 179.25 176.34 3hrh h ASN 610 N -0.29 0.07 0.00 0.00 2.35 -1.55 -3.40 115.58 112.76 3hrh h ASN 610 Ca -0.02 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 3hrh h ASN 610 Cb 0.23 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3hrh h ASN 610 CO 0.04 1.10 -1.14 0.29 -1.65 0.00 0.00 177.43 176.07 3hrh n LYS 611 N -3.22 1.13 -0.72 0.81 4.76 -0.46 -5.01 118.16 115.44 3hrh n LYS 611 Ca -0.12 -0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.27 3hrh n LYS 611 Cb 1.01 -1.11 0.00 0.00 -1.84 0.00 0.00 35.03 33.09 3hrh n LYS 611 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hrh n GLY 612 N 1.89 0.60 3.72 0.72 0.00 -0.61 -4.98 105.19 106.53 3hrh n GLY 612 Ca -0.01 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3hrh n GLY 612 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hrh s VAL 613 N -2.00 4.17 0.21 1.61 1.01 -0.92 -4.72 120.40 119.75 3hrh s VAL 613 Ca 0.00 1.62 -0.30 0.00 0.00 0.00 0.00 61.98 63.30 3hrh s VAL 613 Cb 0.00 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.25 3hrh s VAL 613 CO 0.00 0.16 1.35 -0.55 0.00 0.00 0.00 175.10 176.06 3hrh s SER 614 N 0.77 6.83 0.28 3.32 0.15 0.22 -3.59 113.70 121.69 3hrh s SER 614 Ca 0.55 2.48 0.25 0.00 0.70 0.00 0.00 55.95 59.93 3hrh s SER 614 Cb -0.28 -2.61 0.92 0.00 -1.71 0.00 0.00 66.02 62.34 3hrh s SER 614 CO 0.30 -0.58 1.76 -0.65 1.20 0.00 0.00 173.24 175.27 3hrh h PRO 615 N 5.27 0.00 -6.10 5.44 0.11 -1.87 -3.45 132.00 131.40 3hrh h PRO 615 Ca -0.45 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.07 3hrh h PRO 615 Cb 1.22 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.19 3hrh h PRO 615 CO 0.77 0.00 -0.75 0.95 -0.21 0.00 0.00 178.00 178.77 3hrh s THR 616 N -3.26 2.36 -0.62 -1.15 -4.23 -1.26 -4.44 115.64 103.04 3hrh s THR 616 Ca 0.06 -2.36 -0.03 0.00 -1.18 0.00 0.00 61.69 58.18 3hrh s THR 616 Cb 0.10 -2.32 0.00 0.00 1.34 0.00 0.00 72.50 71.63 3hrh s THR 616 CO 0.50 -0.40 0.53 0.61 -0.54 0.00 0.00 174.62 175.33 3hrh n GLY 617 N -0.61 0.22 3.85 3.99 0.00 -0.38 -4.92 105.19 107.33 3hrh n GLY 617 Ca -0.05 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 3hrh n GLY 617 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hrh s ASN 618 N -3.25 4.43 -0.04 1.61 0.01 -0.01 -4.59 114.94 113.10 3hrh s ASN 618 Ca 0.22 -1.43 0.05 0.00 -0.71 0.00 0.00 52.86 51.00 3hrh s ASN 618 Cb -0.10 0.50 -0.01 0.00 0.41 0.00 0.00 41.25 42.05 3hrh s ASN 618 CO 0.34 -1.02 -0.20 0.00 -1.51 0.00 0.00 177.10 174.71 3hrh s ALA 619 N -2.82 1.75 -0.26 0.60 0.00 -0.39 -3.11 121.76 117.52 3hrh s ALA 619 Ca 0.22 -0.84 -0.05 0.00 0.00 0.00 0.00 51.96 51.28 3hrh s ALA 619 Cb -0.01 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.59 3hrh s ALA 619 CO 0.13 0.36 0.01 0.00 0.00 0.00 0.00 175.76 176.27 3hrh s ALA 620 N -0.17 2.92 -0.23 0.00 0.00 -0.67 0.26 121.76 123.87 3hrh s ALA 620 Ca -0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 51.96 50.59 3hrh s ALA 620 Cb -0.11 -1.92 0.02 0.00 0.00 0.00 0.00 23.12 21.11 3hrh s ALA 620 CO 0.02 -0.74 -0.09 0.08 0.00 0.00 0.00 175.76 175.03 3hrh s VAL 621 N 1.46 2.76 0.26 0.00 1.01 0.19 -0.91 120.40 125.17 3hrh s VAL 621 Ca 0.03 -0.97 0.10 0.00 0.00 0.00 0.00 61.98 61.13 3hrh s VAL 621 Cb -0.16 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 3hrh s VAL 621 CO -0.01 0.27 -0.16 -0.83 0.00 0.00 0.00 175.10 174.38 3hrh s GLY 622 N 1.33 1.76 0.03 4.51 0.00 -0.53 -1.04 107.32 113.37 3hrh s GLY 622 Ca 0.01 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 42.91 3hrh s GLY 622 CO -0.06 -1.89 -0.04 0.48 0.00 0.00 0.00 173.10 171.59 3hrh s LEU 623 N -3.45 2.27 0.00 0.66 -0.00 -1.26 -1.13 118.68 115.77 3hrh s LEU 623 Ca 0.28 -0.56 0.00 0.00 -0.00 0.00 0.00 54.13 53.85 3hrh s LEU 623 Cb -0.02 0.06 0.00 0.00 -0.00 0.00 0.00 46.19 46.23 3hrh s LEU 623 CO 0.12 -0.32 0.00 -0.24 -0.00 0.00 0.00 176.35 175.92 3hrh n SER 624 N 1.41 0.00 -0.31 1.48 2.88 0.41 -1.19 113.62 118.31 3hrh n SER 624 Ca -0.23 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.46 3hrh n SER 624 Cb 0.56 0.00 0.32 0.00 -0.75 0.00 0.00 64.21 64.34 3hrh n SER 624 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 3hrh h MET 625 N 0.00 0.35 -0.03 -1.46 1.85 -1.85 -1.68 114.93 112.11 3hrh h MET 625 Ca 0.00 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.07 3hrh h MET 625 Cb 0.00 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 31.95 3hrh h MET 625 CO 0.00 0.23 0.00 -1.13 -0.40 0.00 0.00 176.91 175.61 3hrh n SER 626 N -5.08 1.76 0.07 1.39 3.41 -0.33 -4.22 113.62 110.62 3hrh n SER 626 Ca 0.23 -1.60 -0.12 0.00 -0.26 0.00 0.00 58.87 57.12 3hrh n SER 626 Cb 0.69 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.57 3hrh n SER 626 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3hrh h GLY 627 N 4.84 -0.11 1.72 5.00 0.00 -1.28 -0.39 103.07 112.85 3hrh h GLY 627 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 47.33 47.29 3hrh h GLY 627 CO 0.00 -0.06 -0.35 -1.33 0.00 0.00 0.00 176.54 174.81 3hrh h GLY 628 N -0.12 0.35 0.84 4.60 0.00 -1.74 -3.05 103.07 103.94 3hrh h GLY 628 Ca 0.00 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.05 3hrh h GLY 628 CO -0.01 0.28 0.29 1.76 0.00 0.00 0.00 176.54 178.86 3hrh h SER 629 N 0.28 0.46 -0.75 0.19 0.02 -1.57 -0.63 113.55 111.55 3hrh h SER 629 Ca 0.03 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 3hrh h SER 629 Cb 0.75 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.16 3hrh h SER 629 CO 0.06 0.32 0.47 0.00 -1.14 0.00 0.00 176.83 176.54 3hrh h ALA 630 N 1.24 0.99 -0.71 3.77 0.00 -0.99 -0.79 119.26 122.77 3hrh h ALA 630 Ca 0.21 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3hrh h ALA 630 Cb 0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3hrh h ALA 630 CO -0.11 0.26 0.27 -0.07 0.00 0.00 0.00 179.25 179.60 3hrh h LEU 631 N 0.92 0.99 -0.79 0.00 3.38 -1.34 -2.12 115.31 116.35 3hrh h LEU 631 Ca 0.30 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 3hrh h LEU 631 Cb 0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3hrh h LEU 631 CO -0.12 0.90 -0.14 0.40 0.09 0.00 0.00 178.44 179.57 3hrh h ILE 632 N 1.02 1.26 -0.31 1.22 1.08 -0.64 -1.03 117.51 120.11 3hrh h ILE 632 Ca 0.23 -1.21 -0.00 0.00 -0.39 0.00 0.00 64.86 63.49 3hrh h ILE 632 Cb 0.23 1.09 -0.01 0.00 -3.07 0.00 0.00 36.82 35.06 3hrh h ILE 632 CO -0.02 0.41 0.17 -0.07 -0.69 0.00 0.00 178.15 177.96 3hrh h LEU 633 N 0.69 0.38 -1.03 1.44 3.38 -0.84 -1.71 115.31 117.61 3hrh h LEU 633 Ca 0.11 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3hrh h LEU 633 Cb 0.62 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3hrh h LEU 633 CO 0.04 0.34 0.25 0.00 0.09 0.00 0.00 178.44 179.17 3hrh h ALA 634 N 1.05 1.23 -0.56 1.53 0.00 -1.17 0.27 119.26 121.61 3hrh h ALA 634 Ca 0.11 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hrh h ALA 634 Cb 0.05 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3hrh h ALA 634 CO -0.02 0.56 0.36 0.00 0.00 0.00 0.00 179.25 180.16 3hrh h ALA 635 N 1.34 0.72 0.00 0.00 0.00 -0.64 -2.81 119.26 117.87 3hrh h ALA 635 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3hrh h ALA 635 Cb 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3hrh h ALA 635 CO -0.02 0.13 -1.52 0.66 0.00 0.00 0.00 179.25 178.50 3hrh n TYR 636 N -4.71 0.15 -3.12 0.00 4.02 -0.69 -4.55 117.16 108.25 3hrh n TYR 636 Ca 0.04 0.04 -0.24 0.00 -0.01 0.00 0.00 57.90 57.74 3hrh n TYR 636 Cb 0.04 -0.44 -0.05 0.00 -0.02 0.00 0.00 39.34 38.87 3hrh n TYR 636 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3hrh n TYR 637 N -2.10 2.18 0.08 -0.72 4.02 0.95 -4.94 117.16 116.62 3hrh n TYR 637 Ca -0.01 -3.91 0.08 0.00 -0.01 0.00 0.00 57.90 54.05 3hrh n TYR 637 Cb 0.50 -0.46 0.53 0.00 -0.02 0.00 0.00 39.34 39.89 3hrh n TYR 637 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3hrh h PRO 638 N 3.27 0.29 -0.30 -0.72 0.13 -1.69 0.12 132.00 133.11 3hrh h PRO 638 Ca 0.12 -0.02 -0.14 0.00 -0.87 0.00 0.00 66.00 65.09 3hrh h PRO 638 Cb 0.73 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 3hrh h PRO 638 CO 0.67 0.19 -0.38 1.96 -0.23 0.00 0.00 178.00 180.21 3hrh h GLN 639 N 0.30 0.71 0.12 0.86 4.20 -1.92 -2.95 115.11 116.44 3hrh h GLN 639 Ca 0.12 -0.36 -0.30 0.00 0.06 0.00 0.00 58.65 58.18 3hrh h GLN 639 Cb 0.11 0.01 0.03 0.00 0.30 0.00 0.00 27.48 27.92 3hrh h GLN 639 CO -0.03 0.97 -1.25 0.37 -0.67 0.00 0.00 178.83 178.23 3hrh h GLN 640 N 0.58 0.57 -2.92 1.46 4.15 -1.63 -1.01 115.11 116.31 3hrh h GLN 640 Ca 0.05 -0.78 -0.61 0.00 0.77 0.00 0.00 58.65 58.08 3hrh h GLN 640 Cb 0.92 0.26 -0.41 0.00 0.21 0.00 0.00 27.48 28.45 3hrh h GLN 640 CO 0.08 1.35 -0.63 1.19 -1.93 0.00 0.00 178.83 178.90 3hrh n PHE 641 N -3.75 2.77 0.83 3.99 3.72 0.37 -0.83 117.46 124.56 3hrh n PHE 641 Ca -0.13 -4.18 0.10 0.00 -0.05 0.00 0.00 57.45 53.20 3hrh n PHE 641 Cb 0.99 -0.52 0.49 0.00 -0.94 0.00 0.00 39.48 39.50 3hrh n PHE 641 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3hrh n PRO 642 N 1.96 0.10 -4.45 -1.08 -0.04 -1.12 -4.59 135.00 125.79 3hrh n PRO 642 Ca 0.22 0.12 -0.21 0.00 -0.04 0.00 0.00 63.50 63.59 3hrh n PRO 642 Cb 0.37 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.18 3hrh n PRO 642 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3hrh s TYR 643 N -2.86 1.02 -0.12 0.54 6.14 -1.20 -1.30 117.35 119.56 3hrh s TYR 643 Ca 0.14 -0.24 -0.09 0.00 0.64 0.00 0.00 57.07 57.52 3hrh s TYR 643 Cb 0.14 -0.70 0.04 0.00 0.42 0.00 0.00 41.96 41.86 3hrh s TYR 643 CO 0.37 -0.08 0.29 0.00 0.64 0.00 0.00 175.55 176.77 3hrh s ALA 644 N 0.05 -0.72 -0.03 3.97 0.00 -0.37 -1.66 121.76 123.00 3hrh s ALA 644 Ca -0.01 0.95 0.06 0.00 0.00 0.00 0.00 51.96 52.96 3hrh s ALA 644 Cb -0.08 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 3hrh s ALA 644 CO 0.00 -0.17 -0.21 0.00 0.00 0.00 0.00 175.76 175.39 3hrh s ALA 645 N 0.59 1.76 -0.16 0.00 0.00 -0.09 -0.90 121.76 122.95 3hrh s ALA 645 Ca -0.04 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.06 3hrh s ALA 645 Cb -0.05 -0.50 0.03 0.00 0.00 0.00 0.00 23.12 22.59 3hrh s ALA 645 CO -0.03 0.38 -0.14 0.45 0.00 0.00 0.00 175.76 176.42 3hrh s SER 646 N -0.28 2.89 -0.34 0.00 0.15 0.17 -1.46 113.70 114.84 3hrh s SER 646 Ca 0.03 -0.59 -0.05 0.00 0.70 0.00 0.00 55.95 56.03 3hrh s SER 646 Cb -0.10 -1.23 0.05 0.00 -1.71 0.00 0.00 66.02 63.03 3hrh s SER 646 CO 0.01 -0.07 0.09 -0.76 1.20 0.00 0.00 173.24 173.71 3hrh s LEU 647 N 1.44 4.30 -1.40 3.45 1.43 -0.29 -0.46 118.68 127.16 3hrh s LEU 647 Ca 0.04 -1.26 -0.09 0.00 -1.03 0.00 0.00 54.13 51.79 3hrh s LEU 647 Cb -0.14 -1.83 0.03 0.00 0.03 0.00 0.00 46.19 44.29 3hrh s LEU 647 CO -0.10 -0.33 1.09 -1.20 0.23 0.00 0.00 176.35 176.03 3hrh n SER 648 N 4.75 -5.31 -4.92 2.29 7.64 0.11 -0.45 113.62 117.73 3hrh n SER 648 Ca -0.12 -0.63 -0.27 0.00 1.01 0.00 0.00 58.87 58.86 3hrh n SER 648 Cb 0.44 -4.66 0.06 0.00 -1.01 0.00 0.00 64.21 59.04 3hrh n SER 648 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3hrh s GLY 649 N -3.46 1.66 -0.62 0.23 0.00 -1.26 -3.22 107.32 100.65 3hrh s GLY 649 Ca 0.53 -0.81 -0.09 0.00 0.00 0.00 0.00 44.72 44.36 3hrh s GLY 649 CO 0.76 -0.41 0.49 -1.36 0.00 0.00 0.00 173.10 172.58 3hrh s PHE 650 N -3.26 3.51 -1.66 1.90 0.08 -1.26 -4.81 117.98 112.48 3hrh s PHE 650 Ca 0.59 -2.15 0.07 0.00 0.12 0.00 0.00 56.93 55.56 3hrh s PHE 650 Cb -0.11 -3.50 0.25 0.00 -0.57 0.00 0.00 43.02 39.09 3hrh s PHE 650 CO 0.46 -0.95 1.13 1.28 -0.10 0.00 0.00 175.22 177.04 3hrh n LEU 651 N 4.23 1.75 -2.87 -0.37 4.77 -1.26 -4.18 117.00 119.07 3hrh n LEU 651 Ca 0.03 -0.88 -0.12 0.00 -0.03 0.00 0.00 56.01 55.01 3hrh n LEU 651 Cb 0.41 -0.28 0.04 0.00 -2.33 0.00 0.00 43.42 41.26 3hrh n LEU 651 CO 0.38 0.36 0.06 -3.20 -1.33 0.00 0.00 177.39 173.66 3hrh n ASN 652 N 0.26 -0.29 0.13 -1.43 4.05 -1.26 -1.69 115.26 115.03 3hrh n ASN 652 Ca 0.09 -3.03 0.19 0.00 0.45 0.00 0.00 54.58 52.29 3hrh n ASN 652 Cb 0.32 0.32 0.77 0.00 1.23 0.00 0.00 39.78 42.43 3hrh n ASN 652 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3hrh h PRO 653 N 2.83 0.00 -0.01 1.20 0.13 -1.90 -2.10 132.00 132.15 3hrh h PRO 653 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3hrh h PRO 653 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3hrh h PRO 653 CO 0.31 0.00 -0.37 -1.13 -0.23 0.00 0.00 178.00 176.58 3hrh n SER 654 N -3.79 0.95 -4.80 1.44 3.41 -1.26 -2.70 113.62 106.88 3hrh n SER 654 Ca 0.05 -0.77 -0.38 0.00 -0.26 0.00 0.00 58.87 57.51 3hrh n SER 654 Cb 0.50 0.22 -0.06 0.00 -0.26 0.00 0.00 64.21 64.61 3hrh n SER 654 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3hrh s GLU 655 N -2.65 4.06 4.45 4.33 -6.30 -0.79 -4.81 118.70 116.99 3hrh s GLU 655 Ca 0.20 0.41 0.00 0.00 -2.50 0.00 0.00 54.97 53.07 3hrh s GLU 655 Cb 0.19 -3.29 0.00 0.00 0.00 0.00 0.00 34.13 31.02 3hrh s GLU 655 CO 0.59 0.52 0.00 0.41 0.02 0.00 0.00 175.26 176.79 3hrh n GLY 656 N 2.31 3.36 0.15 -1.50 0.00 -1.26 -2.05 105.19 106.21 3hrh n GLY 656 Ca -0.12 0.21 0.13 0.00 0.00 0.00 0.00 46.02 46.23 3hrh n GLY 656 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3hrh h TRP 657 N 0.00 0.00 -0.80 1.61 4.06 -1.95 -3.38 115.95 115.49 3hrh h TRP 657 Ca 0.00 0.00 0.19 0.00 2.06 0.00 0.00 58.89 61.14 3hrh h TRP 657 Cb 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 28.03 3hrh h TRP 657 CO 0.00 0.00 0.14 -1.49 -3.56 0.00 0.00 178.44 173.53 3hrh h TRP 658 N 0.00 0.19 -0.89 0.49 4.06 -1.67 0.16 115.95 118.29 3hrh h TRP 658 Ca 0.00 0.05 0.05 0.00 2.06 0.00 0.00 58.89 61.05 3hrh h TRP 658 Cb 0.85 0.04 -0.06 0.00 -1.00 0.00 0.00 29.16 28.99 3hrh h TRP 658 CO 0.00 -0.18 0.57 -1.35 -3.56 0.00 0.00 178.44 173.91 3hrh h PRO 659 N 0.19 1.03 -0.33 0.49 0.11 -1.69 0.20 132.00 131.99 3hrh h PRO 659 Ca 0.47 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.41 3hrh h PRO 659 Cb 0.86 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 3hrh h PRO 659 CO -0.62 0.68 -0.18 1.15 -0.21 0.00 0.00 178.00 178.82 3hrh h THR 660 N 1.06 1.29 -0.69 -1.15 2.02 -1.08 -0.75 112.91 113.60 3hrh h THR 660 Ca 0.38 -1.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.21 3hrh h THR 660 Cb 0.11 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 3hrh h THR 660 CO -0.15 0.42 0.22 -0.07 0.37 0.00 0.00 175.52 176.31 3hrh h LEU 661 N 0.48 1.01 -0.69 2.58 3.38 -0.38 -1.35 115.31 120.33 3hrh h LEU 661 Ca 0.07 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 3hrh h LEU 661 Cb 0.72 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3hrh h LEU 661 CO 0.05 0.94 0.08 0.40 0.09 0.00 0.00 178.44 180.01 3hrh h ILE 662 N 1.01 1.26 -0.36 1.22 2.04 -0.54 -1.10 117.51 121.05 3hrh h ILE 662 Ca 0.22 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 3hrh h ILE 662 Cb 0.30 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3hrh h ILE 662 CO -0.01 0.40 0.20 1.23 0.00 0.00 0.00 178.15 179.97 3hrh h GLY 663 N 1.04 0.54 0.97 5.37 0.00 -0.70 0.21 103.07 110.50 3hrh h GLY 663 Ca 0.20 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 3hrh h GLY 663 CO 0.02 0.24 0.10 1.41 0.00 0.00 0.00 176.54 178.30 3hrh h LEU 664 N 0.46 0.73 -0.37 3.11 3.38 -1.11 -1.33 115.31 120.18 3hrh h LEU 664 Ca 0.13 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3hrh h LEU 664 Cb 0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3hrh h LEU 664 CO -0.02 0.79 0.24 0.00 0.09 0.00 0.00 178.44 179.53 3hrh h ALA 665 N 0.97 0.46 -0.72 1.53 0.00 -0.99 0.38 119.26 120.90 3hrh h ALA 665 Ca 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3hrh h ALA 665 Cb 0.35 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3hrh h ALA 665 CO 0.01 -0.09 0.32 0.52 0.00 0.00 0.00 179.25 180.00 3hrh h MET 666 N 0.48 1.04 -0.06 0.00 2.86 -0.81 0.80 114.93 119.25 3hrh h MET 666 Ca 0.14 -0.16 -0.18 0.00 -2.06 0.00 0.00 59.70 57.44 3hrh h MET 666 Cb -0.04 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.43 3hrh h MET 666 CO -0.04 0.83 -0.74 -0.97 1.06 0.00 0.00 176.91 177.05 3hrh h ASN 667 N 1.03 0.41 0.35 1.22 -1.24 -0.81 -0.97 115.58 115.56 3hrh h ASN 667 Ca 0.25 -0.27 -0.11 0.00 0.71 0.00 0.00 56.30 56.87 3hrh h ASN 667 Cb 0.15 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.07 3hrh h ASN 667 CO -0.03 1.01 -0.47 -0.78 -1.29 0.00 0.00 177.43 175.88 3hrh h ASP 668 N 0.23 0.16 -3.43 1.15 3.58 0.36 -0.68 116.42 117.78 3hrh h ASP 668 Ca -0.03 -0.07 -0.79 0.00 0.42 0.00 0.00 57.03 56.56 3hrh h ASP 668 Cb 1.31 -0.04 -0.29 0.00 1.72 0.00 0.00 39.33 42.03 3hrh h ASP 668 CO 0.12 0.60 0.44 -0.24 -2.88 0.00 0.00 179.24 177.29 3hrh n SER 669 N -3.98 5.51 0.00 2.28 2.88 0.22 -4.57 113.62 115.96 3hrh n SER 669 Ca -0.02 -3.10 0.00 0.00 -1.33 0.00 0.00 58.87 54.42 3hrh n SER 669 Cb 0.51 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 3hrh n SER 669 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hrh n GLY 670 N 2.43 0.70 2.25 0.46 0.00 -1.26 -4.37 105.19 105.39 3hrh n GLY 670 Ca 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 3hrh n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrh n GLY 671 N -2.07 0.02 3.83 -0.02 0.00 -0.26 -4.84 105.19 101.86 3hrh n GLY 671 Ca 0.00 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.26 3hrh n GLY 671 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hrh s TYR 672 N -2.63 3.38 -0.34 1.61 1.51 -0.38 -3.79 117.35 116.71 3hrh s TYR 672 Ca 0.06 1.45 -0.11 0.00 -1.01 0.00 0.00 57.07 57.46 3hrh s TYR 672 Cb -0.03 -2.71 0.01 0.00 -0.11 0.00 0.00 41.96 39.12 3hrh s TYR 672 CO 0.07 0.02 0.18 1.21 -1.11 0.00 0.00 175.55 175.93 3hrh s ASN 673 N -2.15 5.68 0.53 2.29 3.84 -1.26 -2.47 114.94 121.40 3hrh s ASN 673 Ca 0.57 -0.70 0.21 0.00 0.21 0.00 0.00 52.86 53.15 3hrh s ASN 673 Cb -0.11 -2.03 1.37 0.00 -0.55 0.00 0.00 41.25 39.94 3hrh s ASN 673 CO 0.16 -0.28 2.10 0.00 -2.79 0.00 0.00 177.10 176.29 3hrh h ALA 674 N 8.40 2.14 0.00 1.71 0.00 -1.91 -1.28 119.26 128.32 3hrh h ALA 674 Ca -0.29 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3hrh h ALA 674 Cb 1.13 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3hrh h ALA 674 CO 0.64 -0.26 -0.45 -0.91 0.00 0.00 0.00 179.25 178.27 3hrh h ASN 675 N 0.00 0.00 0.73 0.00 2.35 -1.94 -2.06 115.58 114.66 3hrh h ASN 675 Ca 0.10 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.72 3hrh h ASN 675 Cb 0.40 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 3hrh h ASN 675 CO -0.00 0.45 -0.61 0.28 -1.65 0.00 0.00 177.43 175.90 3hrh h SER 676 N 0.00 0.00 0.00 5.81 0.02 -1.56 -0.73 113.55 117.10 3hrh h SER 676 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hrh h SER 676 Cb 0.91 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.45 3hrh h SER 676 CO 0.06 0.61 0.00 0.80 -1.14 0.00 0.00 176.83 177.16 3hrh n MET 677 N -3.69 0.00 -0.20 3.45 0.00 -0.99 -2.12 117.12 113.57 3hrh n MET 677 Ca -0.01 0.48 0.08 0.00 -0.00 0.00 0.00 57.70 58.25 3hrh n MET 677 Cb 0.64 -1.08 0.19 0.00 0.00 0.00 0.00 33.22 32.96 3hrh n MET 677 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 3hrh n TRP 678 N -1.93 0.54 -4.37 1.12 8.01 -0.81 -2.26 117.44 117.74 3hrh n TRP 678 Ca 0.00 -0.41 0.00 0.00 -1.31 0.00 0.00 57.50 55.78 3hrh n TRP 678 Cb 0.00 -0.01 0.00 0.00 -2.01 0.00 0.00 31.31 29.29 3hrh n TRP 678 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3hrh n GLY 679 N 0.93 -1.24 3.70 6.99 0.00 -0.28 -4.45 105.19 110.84 3hrh n GLY 679 Ca 0.15 -1.21 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 3hrh n GLY 679 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hrh n PRO 680 N -0.45 0.69 0.23 1.61 -0.02 -1.26 -4.47 135.00 131.33 3hrh n PRO 680 Ca 0.00 0.30 0.12 0.00 -2.02 0.00 0.00 63.50 61.90 3hrh n PRO 680 Cb 0.00 -2.46 0.66 0.00 -0.02 0.00 0.00 33.50 31.68 3hrh n PRO 680 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hrh h SER 681 N -0.11 0.00 0.97 2.55 4.64 -1.98 0.45 113.55 120.06 3hrh h SER 681 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3hrh h SER 681 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3hrh h SER 681 CO 0.50 0.00 -0.20 -1.20 -0.87 0.00 0.00 176.83 175.06 3hrh n SER 682 N -2.46 0.37 -4.77 4.97 7.64 -1.26 -4.84 113.62 113.27 3hrh n SER 682 Ca -0.02 0.30 -0.40 0.00 1.01 0.00 0.00 58.87 59.76 3hrh n SER 682 Cb 0.21 -0.30 -0.02 0.00 -1.01 0.00 0.00 64.21 63.09 3hrh n SER 682 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hrh s ASP 683 N -3.47 6.63 0.55 6.43 -1.08 0.16 -4.91 116.67 120.97 3hrh s ASP 683 Ca 0.12 2.57 0.27 0.00 -0.52 0.00 0.00 52.55 54.98 3hrh s ASP 683 Cb 0.17 -2.64 1.46 0.00 -1.46 0.00 0.00 42.92 40.45 3hrh s ASP 683 CO 0.61 -0.62 2.00 -0.65 0.52 0.00 0.00 175.17 177.03 3hrh h PRO 684 N 3.06 0.00 -0.64 4.34 0.11 -1.87 -2.54 132.00 134.46 3hrh h PRO 684 Ca -0.49 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.71 3hrh h PRO 684 Cb 1.23 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 3hrh h PRO 684 CO 0.64 0.00 0.43 0.00 -0.21 0.00 0.00 178.00 178.86 3hrh h ALA 685 N 1.69 1.90 -0.48 -0.75 0.00 -1.91 0.54 119.26 120.24 3hrh h ALA 685 Ca 0.21 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 3hrh h ALA 685 Cb 0.95 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3hrh h ALA 685 CO -0.00 -0.03 0.12 -1.49 0.00 0.00 0.00 179.25 177.85 3hrh h TRP 686 N 0.53 0.74 0.05 0.00 4.06 -1.67 -1.85 115.95 117.81 3hrh h TRP 686 Ca 0.29 -0.06 -0.30 0.00 2.06 0.00 0.00 58.89 60.88 3hrh h TRP 686 Cb 0.45 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 28.35 3hrh h TRP 686 CO -0.00 0.63 -1.65 0.87 -3.56 0.00 0.00 178.44 174.73 3hrh h LYS 687 N 0.71 0.10 -0.72 0.49 1.57 -1.56 -3.21 116.57 113.95 3hrh h LYS 687 Ca 0.16 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3hrh h LYS 687 Cb 0.25 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 3hrh h LYS 687 CO -0.00 0.81 0.48 -0.09 -0.57 0.00 0.00 179.45 180.07 3hrh h ARG 688 N 0.03 0.91 -0.60 3.15 1.12 -0.76 -2.15 114.38 116.07 3hrh h ARG 688 Ca -0.27 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.54 3hrh h ARG 688 Cb 1.99 -0.20 0.00 0.00 -0.01 0.00 0.00 29.97 31.75 3hrh h ARG 688 CO 0.10 0.60 0.00 0.09 -3.11 0.00 0.00 179.97 177.65 3hrh n ASN 689 N -4.44 5.55 -4.44 -3.80 3.02 -0.71 -4.87 115.26 105.58 3hrh n ASN 689 Ca 0.08 -2.83 -0.44 0.00 -0.03 0.00 0.00 54.58 51.37 3hrh n ASN 689 Cb 0.07 -0.67 -0.08 0.00 -0.61 0.00 0.00 39.78 38.49 3hrh n ASN 689 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hrh s ASP 690 N -0.80 6.16 0.26 6.41 -1.08 -0.81 -4.89 116.67 121.92 3hrh s ASP 690 Ca 0.54 -1.01 -0.03 0.00 -0.52 0.00 0.00 52.55 51.54 3hrh s ASP 690 Cb 0.40 -2.20 0.55 0.00 -1.46 0.00 0.00 42.92 40.20 3hrh s ASP 690 CO 0.18 -0.62 1.67 -0.65 0.52 0.00 0.00 175.17 176.27 3hrh h PRO 691 N 8.76 0.24 -0.24 4.34 0.11 -1.88 -0.11 132.00 143.22 3hrh h PRO 691 Ca -0.27 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.87 3hrh h PRO 691 Cb 1.11 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 3hrh h PRO 691 CO 0.84 0.16 -0.04 1.98 -0.21 0.00 0.00 178.00 180.73 3hrh h MET 692 N 0.25 0.03 0.00 1.05 4.05 -1.70 -1.40 114.93 117.20 3hrh h MET 692 Ca 0.46 -0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.82 3hrh h MET 692 Cb 0.85 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.63 3hrh h MET 692 CO -0.57 0.02 -0.28 0.28 0.23 0.00 0.00 176.91 176.59 3hrh h VAL 693 N 0.03 1.15 -0.42 -5.77 2.07 -1.39 -2.89 116.25 109.03 3hrh h VAL 693 Ca 0.12 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.67 3hrh h VAL 693 Cb 0.17 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3hrh h VAL 693 CO -0.23 0.27 0.00 0.00 0.02 0.00 0.00 177.57 177.63 3hrh n GLN 694 N -4.14 2.03 -0.34 1.57 1.13 -0.22 -4.42 117.38 112.99 3hrh n GLN 694 Ca -0.02 -1.59 0.13 0.00 -1.94 0.00 0.00 57.00 53.57 3hrh n GLN 694 Cb 0.33 -1.36 0.33 0.00 0.11 0.00 0.00 30.24 29.65 3hrh n GLN 694 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3hrh h ILE 695 N 2.67 0.74 -0.44 5.09 2.04 -1.12 -0.95 117.51 125.54 3hrh h ILE 695 Ca 0.00 -0.26 0.04 0.00 1.00 0.00 0.00 64.86 65.64 3hrh h ILE 695 Cb 0.61 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 3hrh h ILE 695 CO 0.00 0.14 0.29 -0.65 0.00 0.00 0.00 178.15 177.93 3hrh h PRO 696 N 0.77 0.42 -0.29 2.37 0.11 -1.85 -0.90 132.00 132.62 3hrh h PRO 696 Ca 0.55 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.52 3hrh h PRO 696 Cb 0.86 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 3hrh h PRO 696 CO -0.34 0.28 -0.28 0.00 -0.21 0.00 0.00 178.00 177.45 3hrh h ARG 697 N 0.43 0.70 -0.51 1.05 3.08 -1.51 0.08 114.38 117.69 3hrh h ARG 697 Ca 0.18 -0.36 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 3hrh h ARG 697 Cb 0.19 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 3hrh h ARG 697 CO -0.04 0.98 0.26 -0.07 -1.07 0.00 0.00 179.97 180.02 3hrh h LEU 698 N 0.44 0.64 0.11 3.04 3.38 -1.13 0.17 115.31 121.96 3hrh h LEU 698 Ca 0.05 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3hrh h LEU 698 Cb 0.84 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3hrh h LEU 698 CO 0.07 0.54 -0.05 0.58 0.09 0.00 0.00 178.44 179.66 3hrh h VAL 699 N 0.72 1.04 -0.78 1.22 2.07 -1.09 -0.64 116.25 118.79 3hrh h VAL 699 Ca 0.18 -1.27 0.12 0.00 0.82 0.00 0.00 66.70 66.55 3hrh h VAL 699 Cb 0.06 1.76 -0.08 0.00 -1.52 0.00 0.00 31.29 31.51 3hrh h VAL 699 CO -0.03 0.27 0.39 0.00 0.02 0.00 0.00 177.57 178.23 3hrh h ALA 700 N -0.13 1.11 0.00 1.67 0.00 -0.76 0.22 119.26 121.37 3hrh h ALA 700 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hrh h ALA 700 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3hrh h ALA 700 CO 0.02 -0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.31 3hrh n ASN 701 N -4.86 0.00 -3.62 0.00 3.02 0.59 -4.91 115.26 105.47 3hrh n ASN 701 Ca 0.14 0.41 -0.26 0.00 -0.03 0.00 0.00 54.58 54.84 3hrh n ASN 701 Cb 0.34 -0.47 0.05 0.00 -0.61 0.00 0.00 39.78 39.09 3hrh n ASN 701 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3hrh n ASN 702 N -1.47 -5.76 -4.78 6.41 5.15 0.77 -4.92 115.26 110.66 3hrh n ASN 702 Ca 0.08 -0.58 -0.41 0.00 -0.60 0.00 0.00 54.58 53.07 3hrh n ASN 702 Cb 0.31 -4.57 -0.00 0.00 -0.53 0.00 0.00 39.78 34.98 3hrh n ASN 702 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3hrh s THR 703 N -3.28 2.02 -0.39 -0.44 2.01 -0.34 -4.93 115.64 110.29 3hrh s THR 703 Ca 0.57 0.02 -0.23 0.00 0.31 0.00 0.00 61.69 62.36 3hrh s THR 703 Cb -0.27 -3.01 0.02 0.00 0.01 0.00 0.00 72.50 69.24 3hrh s THR 703 CO 0.71 0.01 0.80 -0.60 -0.69 0.00 0.00 174.62 174.85 3hrh s ARG 704 N -2.05 3.65 0.01 4.92 3.00 -0.42 -4.63 118.95 123.42 3hrh s ARG 704 Ca 0.53 0.20 0.05 0.00 -1.00 0.00 0.00 55.73 55.52 3hrh s ARG 704 Cb -0.47 -3.85 -0.03 0.00 0.00 0.00 0.00 34.95 30.60 3hrh s ARG 704 CO 0.63 -0.96 -0.14 0.96 0.00 0.00 0.00 175.30 175.79 3hrh s ILE 705 N 3.22 3.07 -0.25 4.11 -4.36 -0.83 -1.24 121.20 124.92 3hrh s ILE 705 Ca 0.32 -0.96 0.01 0.00 -0.26 0.00 0.00 60.65 59.76 3hrh s ILE 705 Cb -0.13 -2.28 0.06 0.00 1.25 0.00 0.00 42.46 41.37 3hrh s ILE 705 CO 0.19 0.42 -0.06 0.86 0.24 0.00 0.00 174.94 176.60 3hrh s TRP 706 N -0.89 2.69 -0.18 1.37 -0.11 -0.08 -0.49 118.94 121.25 3hrh s TRP 706 Ca 0.14 -1.99 -0.01 0.00 1.22 0.00 0.00 56.10 55.46 3hrh s TRP 706 Cb -0.11 -1.77 -0.00 0.00 -1.50 0.00 0.00 33.47 30.09 3hrh s TRP 706 CO 0.05 -0.82 -0.12 0.08 -4.62 0.00 0.00 176.95 171.52 3hrh s VAL 707 N 1.29 2.83 0.14 5.86 1.01 0.36 0.44 120.40 132.33 3hrh s VAL 707 Ca -0.05 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.31 3hrh s VAL 707 Cb -0.19 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3hrh s VAL 707 CO -0.07 0.49 -0.16 -0.47 0.00 0.00 0.00 175.10 174.89 3hrh s TYR 708 N 1.10 1.61 -0.29 5.22 6.14 0.39 -1.02 117.35 130.50 3hrh s TYR 708 Ca 0.00 -0.51 -0.16 0.00 0.64 0.00 0.00 57.07 57.05 3hrh s TYR 708 Cb -0.14 -0.83 0.15 0.00 0.42 0.00 0.00 41.96 41.56 3hrh s TYR 708 CO -0.03 0.23 0.99 0.00 0.64 0.00 0.00 175.55 177.37 3hrh n GLY 710 N 3.94 -1.67 0.18 0.00 0.00 -1.26 -4.21 105.19 102.18 3hrh n GLY 710 Ca -0.17 -1.65 0.05 0.00 0.00 0.00 0.00 46.02 44.26 3hrh n GLY 710 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hrh n ASN 711 N -3.70 1.07 0.00 1.61 6.94 -0.90 -4.63 115.26 115.65 3hrh n ASN 711 Ca 0.10 -1.03 0.00 0.00 -0.02 0.00 0.00 54.58 53.63 3hrh n ASN 711 Cb 0.37 0.57 0.00 0.00 -2.36 0.00 0.00 39.78 38.37 3hrh n ASN 711 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hrh n GLY 712 N 0.96 0.75 3.55 4.83 0.00 -0.11 -4.16 105.19 111.01 3hrh n GLY 712 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3hrh n GLY 712 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hrh s THR 713 N -2.00 5.20 0.53 2.61 2.01 -1.22 -4.63 115.64 118.14 3hrh s THR 713 Ca 0.00 -0.06 -0.20 0.00 0.31 0.00 0.00 61.69 61.74 3hrh s THR 713 Cb 0.00 -3.58 -0.06 0.00 0.01 0.00 0.00 72.50 68.87 3hrh s THR 713 CO 0.00 0.13 1.14 -2.16 -0.69 0.00 0.00 174.62 173.04 3hrh s PRO 714 N 1.73 3.40 0.00 4.92 0.04 -1.26 -0.24 135.00 143.59 3hrh s PRO 714 Ca 0.06 1.66 0.00 0.00 0.04 0.00 0.00 61.00 62.76 3hrh s PRO 714 Cb -0.17 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.31 3hrh s PRO 714 CO 0.10 -0.82 0.00 -1.13 0.04 0.00 0.00 177.00 175.19 3hrh n SER 715 N -1.18 1.46 0.18 6.66 3.41 -1.26 -4.83 113.62 118.06 3hrh n SER 715 Ca 0.11 -0.29 0.13 0.00 -0.26 0.00 0.00 58.87 58.55 3hrh n SER 715 Cb 0.50 0.00 0.63 0.00 -0.26 0.00 0.00 64.21 65.08 3hrh n SER 715 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3hrh h ASP 716 N 0.00 0.00 0.75 4.04 -0.00 -2.05 -2.61 116.42 116.55 3hrh h ASP 716 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3hrh h ASP 716 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 3hrh h ASP 716 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 179.24 179.42 3hrh n LEU 717 N -2.38 0.63 0.00 0.15 4.77 -1.26 -5.01 117.00 113.90 3hrh n LEU 717 Ca -0.01 0.65 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 3hrh n LEU 717 Cb 0.10 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 3hrh n LEU 717 CO 0.14 -0.52 0.00 0.61 -1.33 0.00 0.00 177.39 176.29 3hrh n GLY 718 N 0.06 0.63 2.66 -0.72 0.00 -0.99 -4.79 105.19 102.04 3hrh n GLY 718 Ca 0.02 -1.64 -0.20 0.00 0.00 0.00 0.00 46.02 44.21 3hrh n GLY 718 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrh n GLY 719 N 0.00 -0.43 3.42 -0.02 0.00 -1.26 -4.37 105.19 102.53 3hrh n GLY 719 Ca 0.00 -0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3hrh n GLY 719 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hrh n ASP 720 N -1.96 5.28 -3.91 1.61 2.03 -1.26 -4.60 116.55 113.74 3hrh n ASP 720 Ca -0.17 -3.00 -0.10 0.00 0.52 0.00 0.00 54.79 52.05 3hrh n ASP 720 Cb 0.64 -1.53 -0.09 0.00 -0.72 0.00 0.00 41.12 39.42 3hrh n ASP 720 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3hrh s ASN 721 N 2.46 0.14 0.14 1.67 2.20 -1.26 -5.08 114.94 115.21 3hrh s ASN 721 Ca 0.41 -0.48 -0.25 0.00 -0.94 0.00 0.00 52.86 51.60 3hrh s ASN 721 Cb -0.03 0.23 -0.01 0.00 -2.00 0.00 0.00 41.25 39.44 3hrh s ASN 721 CO -0.01 -0.50 1.61 0.40 -2.94 0.00 0.00 177.10 175.67 3hrh h ILE 722 N 3.72 0.31 -0.56 0.54 1.08 -1.99 -2.05 117.51 118.56 3hrh h ILE 722 Ca -0.32 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.23 3hrh h ILE 722 Cb 1.19 0.31 -0.06 0.00 -3.07 0.00 0.00 36.82 35.18 3hrh h ILE 722 CO 0.49 0.00 0.21 -0.65 -0.69 0.00 0.00 178.15 177.51 3hrh h PRO 723 N -0.36 0.38 -0.60 2.37 0.11 -1.98 0.58 132.00 132.50 3hrh h PRO 723 Ca 0.10 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.11 3hrh h PRO 723 Cb 0.53 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 3hrh h PRO 723 CO -0.36 0.25 0.06 0.00 -0.21 0.00 0.00 178.00 177.74 3hrh h ALA 724 N 1.37 0.98 -0.32 -0.75 0.00 -1.82 -0.95 119.26 117.76 3hrh h ALA 724 Ca 0.27 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3hrh h ALA 724 Cb 0.31 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3hrh h ALA 724 CO -0.27 0.63 -0.28 0.87 0.00 0.00 0.00 179.25 180.20 3hrh h LYS 725 N 0.93 0.76 0.21 0.00 1.57 -0.82 0.27 116.57 119.50 3hrh h LYS 725 Ca 0.18 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 3hrh h LYS 725 Cb 0.46 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3hrh h LYS 725 CO 0.02 1.01 -0.10 0.35 -0.57 0.00 0.00 179.45 180.15 3hrh h PHE 726 N 0.53 -0.27 -0.46 -1.35 3.57 -0.72 -2.59 116.94 115.65 3hrh h PHE 726 Ca 0.06 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.62 3hrh h PHE 726 Cb 0.85 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.62 3hrh h PHE 726 CO 0.07 -0.09 0.09 -0.07 -2.23 0.00 0.00 178.31 176.07 3hrh h LEU 727 N -0.38 -0.00 -0.71 0.59 -0.00 -1.22 -0.41 115.31 113.17 3hrh h LEU 727 Ca -0.03 0.08 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 3hrh h LEU 727 Cb 0.29 0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 41.03 3hrh h LEU 727 CO 0.05 0.03 0.37 -0.08 -0.00 0.00 0.00 178.44 178.81 3hrh h GLU 728 N 0.22 1.01 -0.14 1.13 4.57 -1.50 -1.53 114.58 118.33 3hrh h GLU 728 Ca 0.23 -0.13 -0.11 0.00 -1.18 0.00 0.00 59.36 58.17 3hrh h GLU 728 Cb 0.29 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 3hrh h GLU 728 CO -0.30 0.77 -0.38 0.78 -1.18 0.00 0.00 179.01 178.71 3hrh h GLY 729 N 0.98 0.33 0.51 1.92 0.00 -1.03 -1.92 103.07 103.87 3hrh h GLY 729 Ca 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 3hrh h GLY 729 CO -0.04 0.28 -0.05 -2.00 0.00 0.00 0.00 176.54 174.73 3hrh h LEU 730 N 0.26 -0.13 -1.06 3.11 5.85 -0.67 -3.26 115.31 119.42 3hrh h LEU 730 Ca 0.03 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3hrh h LEU 730 Cb 0.78 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.85 3hrh h LEU 730 CO 0.06 0.34 0.00 0.00 -0.34 0.00 0.00 178.44 178.51 3hrh h THR 731 N -0.65 0.00 -0.62 1.05 1.03 -1.32 -3.11 112.91 109.30 3hrh h THR 731 Ca -0.02 -0.54 0.04 0.00 -0.01 0.00 0.00 66.41 65.89 3hrh h THR 731 Cb 0.50 1.50 -0.04 0.00 -1.07 0.00 0.00 68.15 69.04 3hrh h THR 731 CO 0.03 0.00 0.41 0.25 -0.01 0.00 0.00 175.52 176.19 3hrh h LEU 732 N 0.00 0.60 -0.78 0.00 5.85 -1.38 -1.35 115.31 118.25 3hrh h LEU 732 Ca 0.00 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3hrh h LEU 732 Cb 0.57 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 3hrh h LEU 732 CO 0.00 0.41 0.50 0.03 -0.34 0.00 0.00 178.44 179.04 3hrh h ARG 733 N 0.69 0.97 -0.39 1.25 3.08 -1.68 -1.03 114.38 117.27 3hrh h ARG 733 Ca 0.25 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 60.09 3hrh h ARG 733 Cb 0.14 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3hrh h ARG 733 CO -0.07 0.64 -0.37 1.15 -1.07 0.00 0.00 179.97 180.24 3hrh h THR 734 N 1.00 1.27 -0.37 2.04 2.02 -1.46 -2.66 112.91 114.74 3hrh h THR 734 Ca 0.30 -1.55 -0.04 0.00 0.77 0.00 0.00 66.41 65.89 3hrh h THR 734 Cb -0.03 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 3hrh h THR 734 CO -0.10 0.52 0.04 0.78 0.37 0.00 0.00 175.52 177.14 3hrh h ASN 735 N 0.77 0.52 0.13 4.18 2.35 -0.76 0.19 115.58 122.96 3hrh h ASN 735 Ca 0.06 -0.09 -0.18 0.00 -0.55 0.00 0.00 56.30 55.55 3hrh h ASN 735 Cb 0.97 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.20 3hrh h ASN 735 CO 0.09 0.56 -0.67 1.56 -1.65 0.00 0.00 177.43 177.32 3hrh h GLN 736 N 0.55 0.51 -0.03 0.81 4.20 -1.15 -1.77 115.11 118.22 3hrh h GLN 736 Ca 0.12 -0.38 -0.11 0.00 0.06 0.00 0.00 58.65 58.34 3hrh h GLN 736 Cb 0.28 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3hrh h GLN 736 CO 0.00 1.00 -0.50 1.15 -0.67 0.00 0.00 178.83 179.82 3hrh h THR 737 N 0.36 1.36 -0.12 -0.54 2.02 -1.08 -2.31 112.91 112.60 3hrh h THR 737 Ca -0.02 -1.72 -0.03 0.00 0.77 0.00 0.00 66.41 65.41 3hrh h THR 737 Cb 1.24 1.89 -0.00 0.00 -1.74 0.00 0.00 68.15 69.54 3hrh h THR 737 CO 0.12 0.50 -0.03 0.15 0.37 0.00 0.00 175.52 176.63 3hrh h PHE 738 N 0.07 0.26 -0.51 3.16 3.57 -0.74 -1.48 116.94 121.26 3hrh h PHE 738 Ca -0.00 -0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.49 3hrh h PHE 738 Cb 0.90 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.54 3hrh h PHE 738 CO 0.01 0.53 0.24 -0.09 -2.23 0.00 0.00 178.31 176.77 3hrh h ARG 739 N -0.10 0.46 0.54 1.11 2.43 -1.15 0.15 114.38 117.82 3hrh h ARG 739 Ca 0.03 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3hrh h ARG 739 Cb 0.45 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.91 3hrh h ARG 739 CO 0.01 0.30 -0.26 -0.44 -1.51 0.00 0.00 179.97 178.07 3hrh h ASP 740 N 0.47 -0.61 -0.79 -3.80 3.45 -1.37 -1.26 116.42 112.51 3hrh h ASP 740 Ca 0.23 -0.01 0.05 0.00 0.43 0.00 0.00 57.03 57.73 3hrh h ASP 740 Cb 0.17 0.16 -0.05 0.00 -0.56 0.00 0.00 39.33 39.05 3hrh h ASP 740 CO -0.18 -0.38 0.52 0.74 -1.57 0.00 0.00 179.24 178.37 3hrh h THR 741 N -0.81 1.07 0.12 0.35 2.02 -1.14 0.22 112.91 114.74 3hrh h THR 741 Ca -0.07 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 3hrh h THR 741 Cb 0.59 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3hrh h THR 741 CO 0.12 0.17 -0.07 0.22 0.37 0.00 0.00 175.52 176.32 3hrh h TYR 742 N 0.90 -0.19 -0.65 3.16 3.20 -0.44 0.78 116.97 123.73 3hrh h TYR 742 Ca 0.33 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.14 3hrh h TYR 742 Cb 0.16 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 3hrh h TYR 742 CO -0.00 -0.12 0.16 0.00 -1.64 0.00 0.00 178.16 176.57 3hrh h ALA 743 N 0.69 1.05 0.00 1.82 0.00 -0.54 0.60 119.26 122.88 3hrh h ALA 743 Ca -0.01 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 3hrh h ALA 743 Cb 0.16 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3hrh h ALA 743 CO 0.01 0.63 -0.28 0.00 0.00 0.00 0.00 179.25 179.61 3hrh h ALA 744 N 1.19 1.27 -0.19 0.00 0.00 -0.23 -2.56 119.26 118.74 3hrh h ALA 744 Ca 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hrh h ALA 744 Cb 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hrh h ALA 744 CO -0.00 0.35 0.00 -0.25 0.00 0.00 0.00 179.25 179.35 3hrh n ASP 745 N -3.81 1.59 0.00 0.00 10.43 0.24 -4.90 116.55 120.10 3hrh n ASP 745 Ca -0.01 -1.75 0.00 0.00 2.57 0.00 0.00 54.79 55.60 3hrh n ASP 745 Cb 0.37 -0.12 0.00 0.00 1.84 0.00 0.00 41.12 43.21 3hrh n ASP 745 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hrh n GLY 746 N 1.09 0.72 3.73 0.44 0.00 -0.96 -4.98 105.19 105.24 3hrh n GLY 746 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3hrh n GLY 746 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hrh n GLY 747 N -2.05 1.34 0.24 -0.02 0.00 0.17 -4.89 105.19 99.97 3hrh n GLY 747 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 3hrh n GLY 747 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hrh n ARG 748 N 2.53 0.00 -1.98 1.61 1.85 -1.26 -4.53 116.66 114.87 3hrh n ARG 748 Ca 0.10 -0.65 -0.09 0.00 -1.00 0.00 0.00 57.85 56.21 3hrh n ARG 748 Cb 0.36 -0.44 0.06 0.00 -1.05 0.00 0.00 32.46 31.39 3hrh n ARG 748 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3hrh n ASN 749 N 0.00 2.99 -4.49 2.89 5.15 -1.26 -5.08 115.26 115.46 3hrh n ASN 749 Ca 0.00 -3.07 -0.24 0.00 -0.60 0.00 0.00 54.58 50.67 3hrh n ASN 749 Cb 0.58 -0.41 -0.10 0.00 -0.53 0.00 0.00 39.78 39.33 3hrh n ASN 749 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3hrh s GLY 750 N -3.43 1.85 -0.14 8.20 0.00 -1.26 -1.97 107.32 110.56 3hrh s GLY 750 Ca 0.40 -1.83 0.01 0.00 0.00 0.00 0.00 44.72 43.30 3hrh s GLY 750 CO -0.02 -1.91 -0.15 0.14 0.00 0.00 0.00 173.10 171.16 3hrh s VAL 751 N -2.42 1.60 -0.29 1.40 1.01 0.36 -4.96 120.40 117.09 3hrh s VAL 751 Ca 0.30 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.64 3hrh s VAL 751 Cb -0.05 -1.49 0.07 0.00 0.00 0.00 0.00 36.38 34.90 3hrh s VAL 751 CO 0.15 0.46 -0.04 -0.36 0.00 0.00 0.00 175.10 175.32 3hrh s PHE 752 N 1.40 3.37 -0.47 5.22 0.08 -1.26 -0.49 117.98 125.84 3hrh s PHE 752 Ca 0.03 -2.35 -0.13 0.00 0.12 0.00 0.00 56.93 54.61 3hrh s PHE 752 Cb -0.13 -2.21 0.09 0.00 -0.57 0.00 0.00 43.02 40.20 3hrh s PHE 752 CO -0.10 -0.88 0.36 -0.80 -0.10 0.00 0.00 175.22 173.71 3hrh s ASN 753 N 1.14 5.95 -0.61 1.36 0.01 -0.19 -4.97 114.94 117.63 3hrh s ASN 753 Ca -0.04 -1.51 0.06 0.00 -0.71 0.00 0.00 52.86 50.66 3hrh s ASN 753 Cb -0.20 -2.11 0.29 0.00 0.41 0.00 0.00 41.25 39.64 3hrh s ASN 753 CO -0.05 -0.65 0.83 0.49 -1.51 0.00 0.00 177.10 176.21 3hrh n PHE 754 N 5.09 3.72 -1.09 2.20 0.99 -1.26 -2.35 117.46 124.76 3hrh n PHE 754 Ca -0.11 -4.08 -0.30 0.00 -0.00 0.00 0.00 57.45 52.95 3hrh n PHE 754 Cb 0.43 -0.53 0.13 0.00 -1.00 0.00 0.00 39.48 38.51 3hrh n PHE 754 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 3hrh s PRO 755 N -2.86 1.49 -0.16 -1.08 0.04 -1.26 -4.90 135.00 126.27 3hrh s PRO 755 Ca 0.44 1.11 -0.03 0.00 0.04 0.00 0.00 61.00 62.55 3hrh s PRO 755 Cb 0.21 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.91 3hrh s PRO 755 CO -0.06 -2.16 2.66 -0.35 0.04 0.00 0.00 177.00 177.13 3hrh n PRO 756 N -3.87 1.77 -3.83 0.56 -0.04 -1.26 -3.93 135.00 124.41 3hrh n PRO 756 Ca 0.09 -1.13 -0.06 0.00 -0.04 0.00 0.00 63.50 62.35 3hrh n PRO 756 Cb 0.54 -1.68 0.01 0.00 -0.04 0.00 0.00 33.50 32.32 3hrh n PRO 756 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3hrh s ASN 757 N 1.26 -0.09 0.00 3.54 0.01 -1.26 -4.79 114.94 113.61 3hrh s ASN 757 Ca 0.40 -0.81 0.00 0.00 -0.71 0.00 0.00 52.86 51.73 3hrh s ASN 757 Cb 0.23 0.70 0.00 0.00 0.41 0.00 0.00 41.25 42.59 3hrh s ASN 757 CO -0.05 -1.36 0.00 0.61 -1.51 0.00 0.00 177.10 174.79 3hrh n GLY 758 N -0.53 2.22 3.68 0.66 0.00 0.67 -2.12 105.19 109.77 3hrh n GLY 758 Ca -0.06 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.16 3hrh n GLY 758 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hrh s THR 759 N -0.62 1.38 -1.39 2.61 -4.23 -1.26 -0.93 115.64 111.20 3hrh s THR 759 Ca 0.00 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 58.37 3hrh s THR 759 Cb 0.00 -2.46 -0.01 0.00 1.34 0.00 0.00 72.50 71.36 3hrh s THR 759 CO 0.00 0.00 2.34 1.57 -0.54 0.00 0.00 174.62 177.99 3hrh n HIS 760 N -1.12 3.02 -3.98 3.99 -0.00 0.07 -4.83 115.22 112.37 3hrh n HIS 760 Ca -0.13 -2.82 -0.09 0.00 0.46 0.00 0.00 57.72 55.13 3hrh n HIS 760 Cb 0.67 -2.41 -0.08 0.00 -0.12 0.00 0.00 29.99 28.05 3hrh n HIS 760 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 3hrh s SER 761 N 3.21 0.11 0.32 0.26 1.04 -1.26 -4.77 113.70 112.60 3hrh s SER 761 Ca 0.53 -0.90 0.03 0.00 0.48 0.00 0.00 55.95 56.09 3hrh s SER 761 Cb 0.15 0.39 0.61 0.00 0.10 0.00 0.00 66.02 67.27 3hrh s SER 761 CO -0.06 -0.83 1.90 -0.50 0.98 0.00 0.00 173.24 174.73 3hrh h TRP 762 N 2.64 0.98 -0.81 5.02 4.06 -1.94 -2.96 115.95 122.94 3hrh h TRP 762 Ca -0.33 0.03 0.09 0.00 2.06 0.00 0.00 58.89 60.74 3hrh h TRP 762 Cb 1.22 -0.32 -0.07 0.00 -1.00 0.00 0.00 29.16 28.99 3hrh h TRP 762 CO 0.41 0.47 0.47 -1.35 -3.56 0.00 0.00 178.44 174.88 3hrh h PRO 763 N 0.93 0.77 -0.38 0.49 0.11 -1.88 -0.02 132.00 132.02 3hrh h PRO 763 Ca 0.41 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 66.32 3hrh h PRO 763 Cb 0.34 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 3hrh h PRO 763 CO -0.17 0.51 -0.35 1.88 -0.21 0.00 0.00 178.00 179.66 3hrh h TYR 764 N 0.80 1.09 -0.52 0.65 0.05 -1.84 -1.83 116.97 115.36 3hrh h TYR 764 Ca 0.38 -0.32 -0.07 0.00 0.05 0.00 0.00 58.73 58.77 3hrh h TYR 764 Cb 0.32 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.81 3hrh h TYR 764 CO -0.06 1.14 0.04 -1.49 -1.05 0.00 0.00 178.16 176.74 3hrh h TRP 765 N 0.73 0.90 -0.41 4.88 6.55 -1.35 -1.82 115.95 125.42 3hrh h TRP 765 Ca 0.06 -0.12 -0.05 0.00 0.95 0.00 0.00 58.89 59.73 3hrh h TRP 765 Cb 0.94 -0.25 -0.02 0.00 -0.86 0.00 0.00 29.16 28.98 3hrh h TRP 765 CO 0.06 0.80 0.04 -0.97 -1.05 0.00 0.00 178.44 177.33 3hrh h ASN 766 N 0.80 0.67 -0.90 -3.49 -0.73 -0.88 -0.91 115.58 110.14 3hrh h ASN 766 Ca 0.16 -0.28 0.09 0.00 1.87 0.00 0.00 56.30 58.14 3hrh h ASN 766 Cb 0.42 -0.18 -0.06 0.00 0.27 0.00 0.00 38.32 38.77 3hrh h ASN 766 CO 0.01 0.78 0.58 -0.08 -0.37 0.00 0.00 177.43 178.36 3hrh h GLU 767 N 0.54 0.92 -0.15 6.67 4.22 -0.97 -0.70 114.58 125.11 3hrh h GLU 767 Ca 0.12 -0.06 -0.18 0.00 0.08 0.00 0.00 59.36 59.33 3hrh h GLU 767 Cb 0.41 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3hrh h GLU 767 CO 0.01 0.61 -0.64 1.96 -2.18 0.00 0.00 179.01 178.77 3hrh h GLN 768 N 0.94 0.55 -0.76 1.92 1.08 -0.91 -1.57 115.11 116.36 3hrh h GLN 768 Ca 0.41 -0.39 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 3hrh h GLN 768 Cb 0.33 0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.79 3hrh h GLN 768 CO -0.17 1.01 0.46 1.25 -0.95 0.00 0.00 178.83 180.43 3hrh h LEU 769 N 0.41 0.91 -0.39 1.46 5.85 0.05 -0.42 115.31 123.17 3hrh h LEU 769 Ca -0.01 -0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.50 3hrh h LEU 769 Cb 1.20 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3hrh h LEU 769 CO 0.12 0.70 -0.31 0.58 -0.34 0.00 0.00 178.44 179.19 3hrh h VAL 770 N 1.04 1.28 -0.49 1.05 2.07 -1.10 -2.94 116.25 117.15 3hrh h VAL 770 Ca 0.27 -1.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 3hrh h VAL 770 Cb -0.04 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3hrh h VAL 770 CO -0.05 0.49 0.16 0.00 0.02 0.00 0.00 177.57 178.19 3hrh h ALA 771 N 0.78 1.36 -0.00 1.67 0.00 -0.81 -2.85 119.26 119.41 3hrh h ALA 771 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hrh h ALA 771 Cb 0.90 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3hrh h ALA 771 CO 0.08 0.47 -0.19 0.00 0.00 0.00 0.00 179.25 179.61 3hrh n MET 772 N -4.32 0.14 -0.04 0.00 0.00 -0.21 -4.31 117.12 108.38 3hrh n MET 772 Ca 0.04 -0.04 -0.09 0.00 0.00 0.00 0.00 57.70 57.60 3hrh n MET 772 Cb 0.18 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 31.88 3hrh n MET 772 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 3hrh h LYS 773 N 0.11 -0.30 -0.59 3.17 3.64 -1.32 0.11 116.57 121.40 3hrh h LYS 773 Ca 0.00 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3hrh h LYS 773 Cb 0.47 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 3hrh h LYS 773 CO 0.00 -0.20 0.39 0.00 -2.27 0.00 0.00 179.45 177.37 3hrh h ALA 774 N 0.65 1.65 -0.08 5.00 0.00 -1.79 -0.35 119.26 124.34 3hrh h ALA 774 Ca 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hrh h ALA 774 Cb 0.50 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hrh h ALA 774 CO -0.39 0.30 0.01 0.22 0.00 0.00 0.00 179.25 179.40 3hrh h ASP 775 N 0.73 0.12 -0.88 0.00 3.58 -1.42 -2.32 116.42 116.23 3hrh h ASP 775 Ca 0.23 -0.27 -0.02 0.00 0.42 0.00 0.00 57.03 57.39 3hrh h ASP 775 Cb 0.01 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 40.99 3hrh h ASP 775 CO -0.06 0.36 0.46 0.40 -2.88 0.00 0.00 179.24 177.52 3hrh h ILE 776 N -0.12 1.26 -0.82 2.25 2.04 -0.20 -1.96 117.51 119.96 3hrh h ILE 776 Ca 0.02 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.23 3hrh h ILE 776 Cb 0.29 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.41 3hrh h ILE 776 CO 0.00 0.30 0.54 1.56 0.00 0.00 0.00 178.15 180.55 3hrh h GLN 777 N 1.24 1.05 -0.04 2.37 4.20 -0.94 0.75 115.11 123.73 3hrh h GLN 777 Ca 0.31 -0.06 -0.21 0.00 0.06 0.00 0.00 58.65 58.74 3hrh h GLN 777 Cb 0.06 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.60 3hrh h GLN 777 CO -0.05 0.69 -0.85 0.45 -0.67 0.00 0.00 178.83 178.41 3hrh h HIS 778 N 1.08 0.62 -0.05 2.96 3.86 -1.19 0.52 115.15 122.95 3hrh h HIS 778 Ca 0.31 -0.31 -0.15 0.00 -1.16 0.00 0.00 60.37 59.06 3hrh h HIS 778 Cb -0.08 -0.08 0.01 0.00 1.06 0.00 0.00 27.41 28.32 3hrh h HIS 778 CO -0.02 1.10 -0.56 0.28 0.86 0.00 0.00 177.93 179.59 3hrh h VAL 779 N 0.27 1.39 0.14 2.45 2.07 -1.09 -3.14 116.25 118.34 3hrh h VAL 779 Ca -0.06 -1.95 -0.31 0.00 0.82 0.00 0.00 66.70 65.21 3hrh h VAL 779 Cb 1.46 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 33.61 3hrh h VAL 779 CO 0.15 0.58 -1.48 -0.07 0.02 0.00 0.00 177.57 176.77 3hrh h LEU 780 N 0.03 0.46 0.00 2.57 3.38 -0.96 -3.44 115.31 117.35 3hrh h LEU 780 Ca -0.06 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.33 3hrh h LEU 780 Cb 1.24 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3hrh h LEU 780 CO 0.11 1.48 -0.22 0.59 0.09 0.00 0.00 178.44 180.49 3hrh n ASN 781 N -3.51 0.61 0.00 -0.43 5.03 -0.23 -5.02 115.26 111.72 3hrh n ASN 781 Ca -0.15 0.10 0.04 0.00 0.87 0.00 0.00 54.58 55.44 3hrh n ASN 781 Cb 1.05 -0.39 0.27 0.00 -1.02 0.00 0.00 39.78 39.68 3hrh n ASN 781 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04