#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cwv s THR 504 N 0.00 3.66 -0.27 1.47 -4.23 0.11 -4.92 115.64 111.46 1cwv s THR 504 Ca 0.00 -1.48 -0.03 0.00 -1.18 0.00 0.00 61.69 59.00 1cwv s THR 504 Cb 0.00 -2.85 0.09 0.00 1.34 0.00 0.00 72.50 71.08 1cwv s THR 504 CO 0.00 -0.14 0.11 -0.22 -0.54 0.00 0.00 174.62 173.83 1cwv s LEU 505 N -3.01 1.07 -0.05 4.79 2.96 -1.26 -1.58 118.68 121.59 1cwv s LEU 505 Ca 0.28 -1.26 0.01 0.00 -0.22 0.00 0.00 54.13 52.94 1cwv s LEU 505 Cb -0.09 -0.51 -0.03 0.00 0.50 0.00 0.00 46.19 46.06 1cwv s LEU 505 CO 0.18 -0.41 -0.07 -0.89 -1.32 0.00 0.00 176.35 173.84 1cwv s THR 506 N 1.94 3.65 0.11 3.68 2.01 -0.74 -4.78 115.64 121.51 1cwv s THR 506 Ca 0.07 -0.55 0.08 0.00 0.31 0.00 0.00 61.69 61.61 1cwv s THR 506 Cb -0.16 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 1cwv s THR 506 CO -0.27 0.56 -0.16 0.00 -0.69 0.00 0.00 174.62 174.06 1cwv s ALA 507 N -0.84 2.77 -0.06 7.40 0.00 -1.26 -0.54 121.76 129.23 1cwv s ALA 507 Ca 0.13 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 50.78 1cwv s ALA 507 Cb -0.11 -0.73 0.02 0.00 0.00 0.00 0.00 23.12 22.30 1cwv s ALA 507 CO 0.02 0.61 -0.05 0.00 0.00 0.00 0.00 175.76 176.34 1cwv s ALA 508 N -1.17 0.82 -0.24 0.00 0.00 -0.20 -4.99 121.76 115.98 1cwv s ALA 508 Ca 0.19 -0.16 -0.10 0.00 0.00 0.00 0.00 51.96 51.89 1cwv s ALA 508 Cb -0.11 -0.54 -0.05 0.00 0.00 0.00 0.00 23.12 22.43 1cwv s ALA 508 CO 0.11 -0.11 0.14 0.08 0.00 0.00 0.00 175.76 175.98 1cwv s VAL 509 N 1.14 5.13 -0.15 0.00 1.01 -1.26 -0.77 120.40 125.50 1cwv s VAL 509 Ca -0.07 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1cwv s VAL 509 Cb -0.14 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 32.86 1cwv s VAL 509 CO -0.01 0.35 -0.20 -0.63 0.00 0.00 0.00 175.10 174.61 1cwv s ILE 510 N 1.08 2.19 0.00 2.22 1.01 0.47 -4.72 121.20 123.45 1cwv s ILE 510 Ca 0.07 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.79 1cwv s ILE 510 Cb -0.14 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.44 1cwv s ILE 510 CO 0.04 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.13 1cwv n GLY 511 N 4.20 0.54 3.71 6.18 0.00 -1.26 -0.53 105.19 118.03 1cwv n GLY 511 Ca -0.20 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 1cwv n GLY 511 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cwv s ASP 512 N -2.89 3.88 0.00 1.61 2.15 -1.26 -3.93 116.67 116.23 1cwv s ASP 512 Ca 0.00 2.35 0.00 0.00 0.43 0.00 0.00 52.55 55.33 1cwv s ASP 512 Cb 0.00 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.03 1cwv s ASP 512 CO 0.00 -2.47 0.00 0.61 -0.17 0.00 0.00 175.17 173.14 1cwv n GLY 513 N 0.41 0.52 3.80 2.66 0.00 -0.06 -4.98 105.19 107.54 1cwv n GLY 513 Ca 0.13 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 1cwv n GLY 513 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cwv s ALA 514 N -2.00 2.68 0.65 4.61 0.00 -1.15 -4.47 121.76 122.09 1cwv s ALA 514 Ca 0.00 0.43 -0.18 0.00 0.00 0.00 0.00 51.96 52.21 1cwv s ALA 514 Cb 0.00 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 1cwv s ALA 514 CO 0.00 -0.91 1.24 -2.14 0.00 0.00 0.00 175.76 173.96 1cwv s PRO 515 N -4.08 2.61 -1.13 0.00 0.02 -1.26 -0.58 135.00 130.58 1cwv s PRO 515 Ca 0.64 1.91 -0.06 0.00 0.02 0.00 0.00 61.00 63.51 1cwv s PRO 515 Cb -0.17 -1.87 0.06 0.00 0.02 0.00 0.00 34.50 32.53 1cwv s PRO 515 CO 0.38 -1.51 2.61 0.00 -0.33 0.00 0.00 177.00 178.15 1cwv n ALA 516 N -1.98 6.84 0.65 -1.55 0.00 -0.18 -4.45 120.51 119.83 1cwv n ALA 516 Ca 0.14 -3.68 0.11 0.00 0.00 0.00 0.00 53.44 50.01 1cwv n ALA 516 Cb 0.49 -2.71 0.13 0.00 0.00 0.00 0.00 19.45 17.35 1cwv n ALA 516 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1cwv n ASN 517 N 1.87 2.95 -0.66 0.00 0.23 -1.14 -4.29 115.26 114.22 1cwv n ASN 517 Ca 0.61 -1.90 -0.09 0.00 -0.53 0.00 0.00 54.58 52.67 1cwv n ASN 517 Cb 0.34 -0.09 -0.04 0.00 -2.08 0.00 0.00 39.78 37.92 1cwv n ASN 517 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1cwv n GLY 518 N 1.24 0.93 1.26 4.83 0.00 -0.86 -4.77 105.19 107.83 1cwv n GLY 518 Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1cwv n GLY 518 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1cwv n LYS 519 N -1.40 0.00 -2.41 1.61 5.02 -1.26 -4.75 118.16 114.97 1cwv n LYS 519 Ca -0.09 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.79 1cwv n LYS 519 Cb 0.45 -0.37 -0.03 0.00 -0.02 0.00 0.00 35.03 35.05 1cwv n LYS 519 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1cwv s THR 520 N -2.00 3.70 0.07 -0.18 2.01 -1.26 -4.95 115.64 113.03 1cwv s THR 520 Ca 0.00 1.40 0.05 0.00 0.31 0.00 0.00 61.69 63.45 1cwv s THR 520 Cb 0.00 -3.90 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1cwv s THR 520 CO 0.00 0.21 -0.02 0.00 -0.69 0.00 0.00 174.62 174.12 1cwv s ALA 521 N 0.06 3.23 -0.02 7.40 0.00 -1.26 -4.55 121.76 126.60 1cwv s ALA 521 Ca 0.53 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 1cwv s ALA 521 Cb -0.31 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 1cwv s ALA 521 CO 0.35 0.68 0.08 0.42 0.00 0.00 0.00 175.76 177.29 1cwv s ILE 522 N -1.24 4.75 0.03 0.00 1.01 -0.14 -4.88 121.20 120.73 1cwv s ILE 522 Ca 0.24 -0.33 0.06 0.00 0.00 0.00 0.00 60.65 60.61 1cwv s ILE 522 Cb -0.12 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.18 1cwv s ILE 522 CO 0.16 0.41 -0.13 -0.89 0.00 0.00 0.00 174.94 174.49 1cwv s THR 523 N -1.14 3.18 -0.05 2.92 2.01 0.31 -1.04 115.64 121.84 1cwv s THR 523 Ca 0.21 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 61.19 1cwv s THR 523 Cb -0.12 -2.38 0.02 0.00 0.01 0.00 0.00 72.50 70.04 1cwv s THR 523 CO 0.12 0.34 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.65 1cwv s VAL 524 N -0.98 0.52 -0.23 3.82 1.01 -0.28 -0.39 120.40 123.86 1cwv s VAL 524 Ca 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 1cwv s VAL 524 Cb -0.11 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.71 1cwv s VAL 524 CO 0.07 0.23 -0.04 -1.61 0.00 0.00 0.00 175.10 173.75 1cwv s GLU 525 N 1.03 3.20 -0.20 2.72 2.02 0.05 -1.36 118.70 126.16 1cwv s GLU 525 Ca -0.09 -0.74 -0.08 0.00 0.02 0.00 0.00 54.97 54.08 1cwv s GLU 525 Cb -0.14 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 31.04 1cwv s GLU 525 CO -0.01 -0.27 0.08 -0.06 0.02 0.00 0.00 175.26 175.02 1cwv s PHE 526 N 1.43 3.22 -0.13 1.61 0.40 -0.14 -1.03 117.98 123.35 1cwv s PHE 526 Ca 0.04 -0.01 -0.00 0.00 -0.60 0.00 0.00 56.93 56.36 1cwv s PHE 526 Cb -0.15 -2.14 -0.02 0.00 0.51 0.00 0.00 43.02 41.23 1cwv s PHE 526 CO -0.04 0.03 -0.13 0.95 0.70 0.00 0.00 175.22 176.74 1cwv s THR 527 N 0.73 3.09 -0.25 0.64 -4.23 0.30 -0.78 115.64 115.14 1cwv s THR 527 Ca 0.04 -0.65 -0.09 0.00 -1.18 0.00 0.00 61.69 59.81 1cwv s THR 527 Cb -0.13 -2.30 -0.04 0.00 1.34 0.00 0.00 72.50 71.37 1cwv s THR 527 CO 0.02 0.53 0.12 -0.69 -0.54 0.00 0.00 174.62 174.05 1cwv s VAL 528 N 0.32 4.86 0.17 2.29 1.01 0.10 -1.79 120.40 127.36 1cwv s VAL 528 Ca -0.10 0.01 0.05 0.00 0.00 0.00 0.00 61.98 61.94 1cwv s VAL 528 Cb -0.16 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 1cwv s VAL 528 CO 0.05 0.33 -0.11 0.00 0.00 0.00 0.00 175.10 175.38 1cwv s ALA 529 N 1.39 1.66 0.77 5.51 0.00 -0.61 -0.58 121.76 129.89 1cwv s ALA 529 Ca 0.06 -1.57 -0.12 0.00 0.00 0.00 0.00 51.96 50.34 1cwv s ALA 529 Cb -0.15 0.04 0.06 0.00 0.00 0.00 0.00 23.12 23.07 1cwv s ALA 529 CO 0.06 -0.06 1.15 0.16 0.00 0.00 0.00 175.76 177.07 1cwv s ASP 530 N -3.23 4.85 0.60 0.00 -4.77 0.93 0.04 116.67 115.10 1cwv s ASP 530 Ca 0.19 0.92 0.28 0.00 -3.30 0.00 0.00 52.55 50.65 1cwv s ASP 530 Cb 0.02 -1.53 1.26 0.00 -1.09 0.00 0.00 42.92 41.57 1cwv s ASP 530 CO 0.03 -1.70 1.65 2.19 0.70 0.00 0.00 175.17 178.04 1cwv h PHE 531 N -0.91 0.00 0.00 2.11 -5.15 -1.91 0.10 116.94 111.18 1cwv h PHE 531 Ca -0.46 0.00 -0.24 0.00 -0.20 0.00 0.00 57.97 57.07 1cwv h PHE 531 Cb 1.30 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 37.43 1cwv h PHE 531 CO 0.39 0.00 -1.41 1.49 -2.00 0.00 0.00 178.31 176.78 1cwv h GLU 532 N 0.00 0.00 0.00 6.09 4.81 -2.02 -3.49 114.58 119.97 1cwv h GLU 532 Ca 0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1cwv h GLU 532 Cb 1.94 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.32 1cwv h GLU 532 CO -0.00 0.61 0.00 0.41 -0.73 0.00 0.00 179.01 179.30 1cwv n GLY 533 N 1.46 1.67 3.90 1.92 0.00 0.36 -5.13 105.19 109.37 1cwv n GLY 533 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1cwv n GLY 533 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cwv s LYS 534 N -0.02 3.49 0.37 1.61 1.02 -1.26 -4.83 119.74 120.12 1cwv s LYS 534 Ca 0.00 -0.23 -0.26 0.00 0.02 0.00 0.00 55.97 55.49 1cwv s LYS 534 Cb 0.00 -3.08 -0.09 0.00 -0.52 0.00 0.00 37.83 34.14 1cwv s LYS 534 CO 0.00 0.66 1.16 -1.25 -0.92 0.00 0.00 175.35 175.00 1cwv s PRO 535 N -1.90 4.23 -0.15 -1.68 0.04 -1.26 -0.05 135.00 134.22 1cwv s PRO 535 Ca 0.28 1.84 -0.01 0.00 0.04 0.00 0.00 61.00 63.15 1cwv s PRO 535 Cb -0.13 -2.82 -0.01 0.00 0.04 0.00 0.00 34.50 31.58 1cwv s PRO 535 CO 0.18 -0.17 -0.10 -0.51 0.04 0.00 0.00 177.00 176.43 1cwv s LEU 536 N -2.20 2.79 0.41 -3.56 1.43 0.25 -4.78 118.68 113.03 1cwv s LEU 536 Ca 0.53 -0.33 0.07 0.00 -1.03 0.00 0.00 54.13 53.38 1cwv s LEU 536 Cb -0.31 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.26 1cwv s LEU 536 CO 0.40 0.12 0.56 0.00 0.23 0.00 0.00 176.35 177.66 1cwv s ALA 537 N 0.60 4.44 -2.07 4.21 0.00 -1.26 -4.05 121.76 123.62 1cwv s ALA 537 Ca -0.06 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.29 1cwv s ALA 537 Cb -0.15 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.30 1cwv s ALA 537 CO 0.03 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1cwv n GLY 538 N -1.83 1.60 3.75 0.00 0.00 -0.74 -4.88 105.19 103.09 1cwv n GLY 538 Ca 0.06 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1cwv n GLY 538 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cwv s GLN 539 N -3.87 4.31 -0.04 1.61 2.00 -1.26 -4.76 119.66 117.65 1cwv s GLN 539 Ca 0.00 0.65 -0.30 0.00 -2.00 0.00 0.00 55.36 53.71 1cwv s GLN 539 Cb 0.00 -3.37 -0.03 0.00 0.80 0.00 0.00 33.01 30.40 1cwv s GLN 539 CO 0.00 0.29 1.16 -2.00 -0.50 0.00 0.00 175.29 174.24 1cwv s GLU 540 N 0.11 4.39 -0.05 1.67 2.56 -1.26 -0.95 118.70 125.17 1cwv s GLU 540 Ca 0.30 1.64 0.03 0.00 0.00 0.00 0.00 54.97 56.93 1cwv s GLU 540 Cb -0.17 -3.51 0.01 0.00 2.00 0.00 0.00 34.13 32.45 1cwv s GLU 540 CO 0.15 -0.37 -0.13 0.08 -0.56 0.00 0.00 175.26 174.43 1cwv s VAL 541 N 1.90 1.14 -0.19 3.70 1.01 0.35 -4.68 120.40 123.64 1cwv s VAL 541 Ca 0.55 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 1cwv s VAL 541 Cb -0.24 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1cwv s VAL 541 CO 0.23 0.35 0.03 -0.69 0.00 0.00 0.00 175.10 175.02 1cwv s VAL 542 N 0.46 4.42 -0.09 2.92 1.01 -0.91 -0.70 120.40 127.51 1cwv s VAL 542 Ca -0.11 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.74 1cwv s VAL 542 Cb -0.14 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.26 1cwv s VAL 542 CO 0.03 0.45 -0.16 -0.63 0.00 0.00 0.00 175.10 174.78 1cwv s ILE 543 N 0.58 1.51 0.11 2.22 1.01 0.60 -0.71 121.20 126.53 1cwv s ILE 543 Ca 0.01 -0.68 0.09 0.00 0.00 0.00 0.00 60.65 60.07 1cwv s ILE 543 Cb -0.13 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 1cwv s ILE 543 CO 0.02 0.44 -0.22 0.42 0.00 0.00 0.00 174.94 175.59 1cwv s THR 544 N 0.69 1.87 0.36 2.92 -4.23 -0.00 -0.99 115.64 116.25 1cwv s THR 544 Ca -0.13 -1.62 0.07 0.00 -1.18 0.00 0.00 61.69 58.82 1cwv s THR 544 Cb -0.16 -1.69 -0.07 0.00 1.34 0.00 0.00 72.50 71.92 1cwv s THR 544 CO 0.03 -0.03 -0.00 0.42 -0.54 0.00 0.00 174.62 174.50 1cwv s THR 545 N -1.17 1.78 0.00 3.99 -4.23 0.80 -1.37 115.64 115.44 1cwv s THR 545 Ca 0.09 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1cwv s THR 545 Cb -0.10 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 70.93 1cwv s THR 545 CO 0.05 -0.08 0.00 -0.46 -0.54 0.00 0.00 174.62 173.59 1cwv n ASN 546 N -0.81 0.32 -2.24 3.99 6.94 -1.14 -4.87 115.26 117.45 1cwv n ASN 546 Ca -0.04 -0.64 -0.18 0.00 -0.02 0.00 0.00 54.58 53.69 1cwv n ASN 546 Cb 0.66 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 38.06 1cwv n ASN 546 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1cwv n ASN 547 N -1.72 -5.19 0.00 0.53 5.15 -1.26 -1.86 115.26 110.91 1cwv n ASN 547 Ca 0.00 0.13 0.00 0.00 -0.60 0.00 0.00 54.58 54.11 1cwv n ASN 547 Cb 0.00 -4.40 0.00 0.00 -0.53 0.00 0.00 39.78 34.85 1cwv n ASN 547 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1cwv n GLY 548 N -0.83 0.44 3.75 8.20 0.00 -1.26 -4.74 105.19 110.75 1cwv n GLY 548 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1cwv n GLY 548 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cwv s ALA 549 N -1.90 2.48 -0.07 4.61 0.00 -0.78 -4.76 121.76 121.35 1cwv s ALA 549 Ca 0.00 0.92 0.05 0.00 0.00 0.00 0.00 51.96 52.93 1cwv s ALA 549 Cb 0.00 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 1cwv s ALA 549 CO 0.00 -1.25 -0.24 -0.51 0.00 0.00 0.00 175.76 173.76 1cwv s LEU 550 N -4.31 2.05 0.84 0.00 1.02 -0.29 -3.77 118.68 114.21 1cwv s LEU 550 Ca 0.75 -0.50 -0.12 0.00 0.02 0.00 0.00 54.13 54.28 1cwv s LEU 550 Cb -0.28 -1.33 0.09 0.00 0.02 0.00 0.00 46.19 44.69 1cwv s LEU 550 CO 0.35 0.21 1.14 -2.16 0.02 0.00 0.00 176.35 175.92 1cwv s PRO 551 N -0.01 1.76 -0.15 1.29 0.04 -1.26 -0.87 135.00 135.80 1cwv s PRO 551 Ca -0.07 0.28 -0.16 0.00 0.04 0.00 0.00 61.00 61.09 1cwv s PRO 551 Cb -0.15 -1.91 -0.23 0.00 0.04 0.00 0.00 34.50 32.25 1cwv s PRO 551 CO 0.05 -1.77 0.36 -0.97 0.04 0.00 0.00 177.00 174.71 1cwv h ASN 552 N -1.19 0.22 -3.60 6.66 -1.24 -1.90 -3.40 115.58 111.14 1cwv h ASN 552 Ca -0.48 -0.74 -0.22 0.00 0.71 0.00 0.00 56.30 55.57 1cwv h ASN 552 Cb 1.32 -0.07 -0.29 0.00 0.73 0.00 0.00 38.32 40.00 1cwv h ASN 552 CO 0.63 1.62 -0.59 -0.75 -1.29 0.00 0.00 177.43 177.05 1cwv s LYS 553 N -2.45 0.11 0.02 6.67 2.20 -1.26 -0.14 119.74 124.90 1cwv s LYS 553 Ca -0.24 0.27 0.01 0.00 -0.36 0.00 0.00 55.97 55.65 1cwv s LYS 553 Cb 0.05 -0.06 -0.01 0.00 -1.51 0.00 0.00 37.83 36.30 1cwv s LYS 553 CO 0.69 -0.10 -0.05 0.96 -0.36 0.00 0.00 175.35 176.50 1cwv s ILE 554 N 0.64 0.31 -0.03 5.43 -4.36 -0.16 -5.00 121.20 118.04 1cwv s ILE 554 Ca -0.05 -0.67 0.05 0.00 -0.26 0.00 0.00 60.65 59.72 1cwv s ILE 554 Cb -0.06 -0.36 -0.01 0.00 1.25 0.00 0.00 42.46 43.28 1cwv s ILE 554 CO -0.03 -0.24 -0.17 0.42 0.24 0.00 0.00 174.94 175.16 1cwv s THR 555 N -0.89 1.37 0.21 8.37 -4.23 -1.26 -0.29 115.64 118.92 1cwv s THR 555 Ca -0.07 -0.71 -0.23 0.00 -1.18 0.00 0.00 61.69 59.50 1cwv s THR 555 Cb -0.07 -1.15 0.04 0.00 1.34 0.00 0.00 72.50 72.66 1cwv s THR 555 CO -0.00 0.39 0.85 -1.83 -0.54 0.00 0.00 174.62 173.49 1cwv s GLU 556 N -0.19 1.48 0.08 3.99 -1.05 0.12 -4.97 118.70 118.16 1cwv s GLU 556 Ca 0.02 -0.83 0.03 0.00 -0.15 0.00 0.00 54.97 54.04 1cwv s GLU 556 Cb -0.09 0.50 -0.04 0.00 -0.44 0.00 0.00 34.13 34.06 1cwv s GLU 556 CO 0.01 -0.68 0.11 0.15 0.95 0.00 0.00 175.26 175.80 1cwv s LYS 557 N -3.52 3.00 0.47 -4.83 1.02 -1.25 0.13 119.74 114.76 1cwv s LYS 557 Ca 0.12 -0.65 -0.22 0.00 0.02 0.00 0.00 55.97 55.24 1cwv s LYS 557 Cb -0.03 -2.79 -0.07 0.00 -0.52 0.00 0.00 37.83 34.41 1cwv s LYS 557 CO 0.05 0.57 1.14 0.95 -0.92 0.00 0.00 175.35 177.14 1cwv s THR 558 N -1.44 3.20 0.00 2.17 -4.23 -0.12 -4.73 115.64 110.48 1cwv s THR 558 Ca 0.31 0.87 0.00 0.00 -1.18 0.00 0.00 61.69 61.69 1cwv s THR 558 Cb -0.12 -3.43 0.00 0.00 1.34 0.00 0.00 72.50 70.29 1cwv s THR 558 CO 0.23 -0.04 0.00 -0.90 -0.54 0.00 0.00 174.62 173.37 1cwv n ASP 559 N -0.58 -0.06 0.29 3.99 5.68 0.11 -1.79 116.55 124.19 1cwv n ASP 559 Ca 0.08 -0.43 0.18 0.00 -0.50 0.00 0.00 54.79 54.11 1cwv n ASP 559 Cb 0.49 0.00 0.80 0.00 -1.14 0.00 0.00 41.12 41.27 1cwv n ASP 559 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1cwv h ALA 560 N -2.00 1.02 -0.55 2.12 0.00 -1.93 -1.18 119.26 116.73 1cwv h ALA 560 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1cwv h ALA 560 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1cwv h ALA 560 CO 0.00 0.03 0.00 0.09 0.00 0.00 0.00 179.25 179.37 1cwv n ASN 561 N -3.15 4.16 -1.95 0.00 3.02 -1.26 -4.76 115.26 111.32 1cwv n ASN 561 Ca -0.00 -2.39 -0.17 0.00 -0.03 0.00 0.00 54.58 51.99 1cwv n ASN 561 Cb 0.25 -0.54 -0.00 0.00 -0.61 0.00 0.00 39.78 38.88 1cwv n ASN 561 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cwv n GLY 562 N 1.01 -0.31 3.57 7.41 0.00 -0.45 -4.78 105.19 111.64 1cwv n GLY 562 Ca 0.22 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1cwv n GLY 562 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cwv s VAL 563 N -2.85 3.55 -0.08 1.61 1.01 -1.26 0.00 120.40 122.39 1cwv s VAL 563 Ca 0.03 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1cwv s VAL 563 Cb -0.01 -2.47 0.03 0.00 0.00 0.00 0.00 36.38 33.92 1cwv s VAL 563 CO 0.04 0.53 -0.02 0.00 0.00 0.00 0.00 175.10 175.65 1cwv s ALA 564 N -0.86 0.80 0.41 5.51 0.00 0.04 0.09 121.76 127.75 1cwv s ALA 564 Ca 0.14 -0.19 0.06 0.00 0.00 0.00 0.00 51.96 51.97 1cwv s ALA 564 Cb -0.11 -0.74 -0.07 0.00 0.00 0.00 0.00 23.12 22.20 1cwv s ALA 564 CO 0.03 -0.40 0.02 -0.98 0.00 0.00 0.00 175.76 174.43 1cwv s ARG 565 N 1.80 1.94 -0.04 0.00 1.70 -1.26 -0.96 118.95 122.13 1cwv s ARG 565 Ca 0.03 -2.11 -0.08 0.00 -0.47 0.00 0.00 55.73 53.10 1cwv s ARG 565 Cb -0.13 -1.54 0.01 0.00 -0.57 0.00 0.00 34.95 32.73 1cwv s ARG 565 CO -0.05 -0.09 0.19 -1.50 -1.08 0.00 0.00 175.30 172.77 1cwv s ILE 566 N -2.79 0.04 -0.15 4.99 2.07 -0.47 -4.99 121.20 119.91 1cwv s ILE 566 Ca 0.33 -0.36 0.01 0.00 -1.41 0.00 0.00 60.65 59.22 1cwv s ILE 566 Cb 0.09 -0.40 -0.00 0.00 0.13 0.00 0.00 42.46 42.28 1cwv s ILE 566 CO 0.17 -0.20 -0.17 0.00 -1.91 0.00 0.00 174.94 172.83 1cwv s ALA 567 N -0.73 2.44 0.08 1.50 0.00 -1.26 -1.13 121.76 122.66 1cwv s ALA 567 Ca -0.08 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 50.88 1cwv s ALA 567 Cb -0.05 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 1cwv s ALA 567 CO 0.01 0.01 -0.11 -0.48 0.00 0.00 0.00 175.76 175.20 1cwv s LEU 568 N 0.74 2.32 0.30 0.00 2.34 -0.20 -4.42 118.68 119.76 1cwv s LEU 568 Ca -0.07 -0.68 0.03 0.00 0.06 0.00 0.00 54.13 53.47 1cwv s LEU 568 Cb -0.16 -0.37 -0.06 0.00 -0.56 0.00 0.00 46.19 45.05 1cwv s LEU 568 CO 0.01 -0.17 0.05 0.42 -1.06 0.00 0.00 176.35 175.60 1cwv s THR 569 N -1.75 1.08 -0.28 5.48 -4.23 -0.04 -0.96 115.64 114.93 1cwv s THR 569 Ca -0.01 -2.01 -0.21 0.00 -1.18 0.00 0.00 61.69 58.29 1cwv s THR 569 Cb -0.07 -2.69 0.09 0.00 1.34 0.00 0.00 72.50 71.17 1cwv s THR 569 CO 0.01 -0.06 0.78 0.21 -0.54 0.00 0.00 174.62 175.02 1cwv s ASN 570 N -3.43 -0.75 0.00 3.99 3.84 -1.26 -1.14 114.94 116.19 1cwv s ASN 570 Ca 0.35 1.32 0.26 0.00 0.21 0.00 0.00 52.86 55.00 1cwv s ASN 570 Cb 0.08 1.32 0.69 0.00 -0.55 0.00 0.00 41.25 42.79 1cwv s ASN 570 CO 0.14 -0.22 1.53 0.35 -2.79 0.00 0.00 177.10 176.11 1cwv n THR 571 N 3.34 0.00 -3.88 -5.21 -2.24 -1.26 -2.02 114.28 103.01 1cwv n THR 571 Ca -0.17 -0.19 -0.35 0.00 -2.27 0.00 0.00 64.05 61.07 1cwv n THR 571 Cb 0.57 0.60 -0.14 0.00 -2.10 0.00 0.00 70.33 69.26 1cwv n THR 571 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1cwv s THR 572 N -2.35 3.54 0.98 4.28 2.01 -1.26 -4.77 115.64 118.06 1cwv s THR 572 Ca 0.27 -0.43 -0.13 0.00 0.31 0.00 0.00 61.69 61.71 1cwv s THR 572 Cb 0.20 -2.62 0.17 0.00 0.01 0.00 0.00 72.50 70.26 1cwv s THR 572 CO 0.47 0.41 1.11 1.51 -0.69 0.00 0.00 174.62 177.43 1cwv s ASP 573 N 1.50 2.88 0.00 3.53 -4.77 -1.26 -4.83 116.67 113.72 1cwv s ASP 573 Ca 0.06 1.05 0.00 0.00 -3.30 0.00 0.00 52.55 50.36 1cwv s ASP 573 Cb -0.14 -1.66 0.00 0.00 -1.09 0.00 0.00 42.92 40.02 1cwv s ASP 573 CO -0.02 -2.96 0.00 0.61 0.70 0.00 0.00 175.17 173.50 1cwv n GLY 574 N -1.57 -0.85 3.64 2.12 0.00 0.21 -4.91 105.19 103.84 1cwv n GLY 574 Ca 0.06 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 1cwv n GLY 574 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cwv s VAL 575 N 0.00 4.91 -0.18 1.61 1.01 -1.26 -1.18 120.40 125.31 1cwv s VAL 575 Ca 0.00 1.36 -0.03 0.00 0.00 0.00 0.00 61.98 63.31 1cwv s VAL 575 Cb 0.00 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1cwv s VAL 575 CO 0.00 -0.02 -0.06 -0.89 0.00 0.00 0.00 175.10 174.13 1cwv s THR 576 N 2.63 3.45 -0.20 3.92 2.01 0.98 -4.78 115.64 123.65 1cwv s THR 576 Ca 0.31 -0.50 -0.14 0.00 0.31 0.00 0.00 61.69 61.67 1cwv s THR 576 Cb -0.15 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.79 1cwv s THR 576 CO 0.08 0.47 0.32 -0.69 -0.69 0.00 0.00 174.62 174.11 1cwv s VAL 577 N 0.85 5.26 -0.14 3.82 1.01 -1.26 -0.15 120.40 129.79 1cwv s VAL 577 Ca -0.02 0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.53 1cwv s VAL 577 Cb -0.15 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.58 1cwv s VAL 577 CO 0.01 0.31 -0.17 0.68 0.00 0.00 0.00 175.10 175.92 1cwv s VAL 578 N 1.04 2.53 -0.02 2.92 -7.23 -0.66 -2.88 120.40 116.10 1cwv s VAL 578 Ca 0.16 -0.83 0.07 0.00 -1.81 0.00 0.00 61.98 59.57 1cwv s VAL 578 Cb -0.14 -2.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.74 1cwv s VAL 578 CO 0.06 0.53 -0.24 -0.89 -0.31 0.00 0.00 175.10 174.25 1cwv s THR 579 N 0.65 1.93 0.08 5.32 2.01 -0.47 -1.91 115.64 123.24 1cwv s THR 579 Ca -0.09 -1.04 0.09 0.00 0.31 0.00 0.00 61.69 60.96 1cwv s THR 579 Cb -0.16 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.71 1cwv s THR 579 CO 0.02 0.55 -0.22 0.00 -0.69 0.00 0.00 174.62 174.28 1cwv s ALA 580 N -0.52 2.48 -0.03 7.40 0.00 0.13 -0.82 121.76 130.40 1cwv s ALA 580 Ca 0.08 -1.31 0.02 0.00 0.00 0.00 0.00 51.96 50.75 1cwv s ALA 580 Cb -0.10 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.46 1cwv s ALA 580 CO -0.00 0.56 -0.06 -2.00 0.00 0.00 0.00 175.76 174.25 1cwv s GLU 581 N -1.68 0.84 -0.15 0.00 2.12 0.11 -1.60 118.70 118.34 1cwv s GLU 581 Ca 0.14 -0.19 -0.06 0.00 0.36 0.00 0.00 54.97 55.23 1cwv s GLU 581 Cb -0.10 -0.81 0.07 0.00 0.26 0.00 0.00 34.13 33.55 1cwv s GLU 581 CO 0.06 0.02 0.32 0.08 -0.54 0.00 0.00 175.26 175.19 1cwv s VAL 582 N 0.51 -0.47 -1.03 3.70 1.01 -0.25 -2.14 120.40 121.73 1cwv s VAL 582 Ca -0.07 0.23 -0.25 0.00 0.00 0.00 0.00 61.98 61.90 1cwv s VAL 582 Cb -0.11 -0.52 0.03 0.00 0.00 0.00 0.00 36.38 35.79 1cwv s VAL 582 CO 0.00 0.10 0.61 -0.62 0.00 0.00 0.00 175.10 175.19 1cwv n GLU 583 N 5.29 -0.56 0.00 2.72 1.02 -1.26 -1.29 120.64 126.57 1cwv n GLU 583 Ca -0.08 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1cwv n GLU 583 Cb 0.50 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 1cwv n GLU 583 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1cwv n GLY 584 N -1.91 2.01 3.44 0.62 0.00 -1.26 -4.98 105.19 103.11 1cwv n GLY 584 Ca -0.15 -0.25 -0.45 0.00 0.00 0.00 0.00 46.02 45.16 1cwv n GLY 584 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cwv n GLN 585 N 0.00 0.42 -3.73 1.61 1.13 -0.41 -5.00 117.38 111.38 1cwv n GLN 585 Ca 0.00 0.15 -0.13 0.00 -1.94 0.00 0.00 57.00 55.08 1cwv n GLN 585 Cb 0.00 -1.29 -0.14 0.00 0.11 0.00 0.00 30.24 28.92 1cwv n GLN 585 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1cwv s ARG 586 N -1.24 0.15 -0.01 -1.09 3.52 -1.26 -1.09 118.95 117.92 1cwv s ARG 586 Ca 0.62 0.46 0.03 0.00 -0.13 0.00 0.00 55.73 56.71 1cwv s ARG 586 Cb -0.77 -0.15 -0.01 0.00 -1.56 0.00 0.00 34.95 32.46 1cwv s ARG 586 CO 0.58 -0.17 -0.11 -1.14 -0.81 0.00 0.00 175.30 173.65 1cwv s GLN 587 N 1.26 1.00 0.11 5.12 2.00 -0.63 -4.98 119.66 123.53 1cwv s GLN 587 Ca -0.09 -0.41 0.05 0.00 -2.00 0.00 0.00 55.36 52.92 1cwv s GLN 587 Cb -0.11 -0.95 -0.04 0.00 0.80 0.00 0.00 33.01 32.71 1cwv s GLN 587 CO -0.07 0.22 -0.13 -1.12 -0.50 0.00 0.00 175.29 173.69 1cwv s SER 588 N -0.16 1.82 -0.00 6.67 0.01 -1.26 -0.69 113.70 120.07 1cwv s SER 588 Ca 0.03 -0.78 -0.13 0.00 1.31 0.00 0.00 55.95 56.37 1cwv s SER 588 Cb -0.06 -0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.14 1cwv s SER 588 CO -0.00 -0.16 0.28 0.68 0.41 0.00 0.00 173.24 174.44 1cwv s VAL 589 N -2.09 0.07 0.04 3.43 -7.23 -0.80 -5.01 120.40 108.80 1cwv s VAL 589 Ca 0.06 -0.54 -0.11 0.00 -1.81 0.00 0.00 61.98 59.58 1cwv s VAL 589 Cb -0.05 -0.62 -0.06 0.00 0.56 0.00 0.00 36.38 36.21 1cwv s VAL 589 CO 0.02 -0.30 0.39 -1.81 -0.31 0.00 0.00 175.10 173.09 1cwv s ASP 590 N -1.43 6.68 0.12 4.85 1.01 -1.26 -1.65 116.67 125.00 1cwv s ASP 590 Ca -0.13 0.83 0.06 0.00 0.71 0.00 0.00 52.55 54.02 1cwv s ASP 590 Cb -0.05 -2.19 -0.04 0.00 1.01 0.00 0.00 42.92 41.65 1cwv s ASP 590 CO 0.03 0.24 -0.16 0.42 0.21 0.00 0.00 175.17 175.91 1cwv s THR 591 N -1.27 1.43 -0.09 -1.27 -4.23 0.79 -4.97 115.64 106.04 1cwv s THR 591 Ca 0.29 -1.68 0.04 0.00 -1.18 0.00 0.00 61.69 59.16 1cwv s THR 591 Cb -0.15 -1.53 0.00 0.00 1.34 0.00 0.00 72.50 72.17 1cwv s THR 591 CO 0.16 -0.33 -0.21 -1.00 -0.54 0.00 0.00 174.62 172.69 1cwv s HIS 592 N -1.90 2.29 -0.20 3.99 0.09 -1.26 -0.01 115.29 118.29 1cwv s HIS 592 Ca 0.08 -0.89 -0.04 0.00 -0.00 0.00 0.00 55.06 54.21 1cwv s HIS 592 Cb -0.06 -1.55 -0.01 0.00 -0.00 0.00 0.00 32.58 30.96 1cwv s HIS 592 CO 0.04 -0.36 -0.04 -0.06 -0.00 0.00 0.00 174.74 174.31 1cwv s PHE 593 N 0.35 2.96 -0.15 1.40 0.40 -0.33 -0.88 117.98 121.74 1cwv s PHE 593 Ca -0.16 -0.76 -0.10 0.00 -0.60 0.00 0.00 56.93 55.31 1cwv s PHE 593 Cb -0.17 -2.07 -0.05 0.00 0.51 0.00 0.00 43.02 41.25 1cwv s PHE 593 CO 0.07 -0.41 0.18 0.14 0.70 0.00 0.00 175.22 175.90 1cwv s VAL 594 N 1.20 5.40 0.42 -0.44 -7.23 0.25 -0.62 120.40 119.39 1cwv s VAL 594 Ca 0.03 0.30 -0.26 0.00 -1.81 0.00 0.00 61.98 60.24 1cwv s VAL 594 Cb -0.14 -3.49 -0.08 0.00 0.56 0.00 0.00 36.38 33.22 1cwv s VAL 594 CO -0.01 0.51 1.33 -0.75 -0.31 0.00 0.00 175.10 175.87 1cwv s LYS 595 N -0.24 3.87 0.83 4.82 2.20 -1.26 -1.01 119.74 128.96 1cwv s LYS 595 Ca 0.13 2.22 -0.11 0.00 -0.36 0.00 0.00 55.97 57.85 1cwv s LYS 595 Cb -0.12 -2.71 0.09 0.00 -1.51 0.00 0.00 37.83 33.58 1cwv s LYS 595 CO 0.02 -0.59 1.10 0.20 -0.36 0.00 0.00 175.35 175.72 1cwv s GLY 596 N -0.70 1.66 -0.30 5.54 0.00 -1.26 -4.89 107.32 107.36 1cwv s GLY 596 Ca 0.58 0.18 -0.05 0.00 0.00 0.00 0.00 44.72 45.44 1cwv s GLY 596 CO 0.50 0.59 0.05 -1.59 0.00 0.00 0.00 173.10 172.65 1cwv s THR 597 N -2.88 3.53 0.10 0.90 2.01 -1.26 -4.97 115.64 113.06 1cwv s THR 597 Ca 0.63 -1.01 -0.35 0.00 0.31 0.00 0.00 61.69 61.26 1cwv s THR 597 Cb -0.18 -2.91 -0.15 0.00 0.01 0.00 0.00 72.50 69.28 1cwv s THR 597 CO 0.57 -0.01 1.54 2.30 -0.69 0.00 0.00 174.62 178.33 1cwv n ILE 598 N 4.77 0.07 -4.20 1.82 -5.35 -1.26 -0.45 119.36 114.76 1cwv n ILE 598 Ca -0.14 -0.01 -0.34 0.00 -0.27 0.00 0.00 62.75 61.99 1cwv n ILE 598 Cb 0.46 -1.34 -0.15 0.00 -1.74 0.00 0.00 39.64 36.87 1cwv n ILE 598 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1cwv s ALA 599 N 1.19 2.56 0.26 -1.28 0.00 -0.65 -4.76 121.76 119.09 1cwv s ALA 599 Ca 0.83 -1.13 0.03 0.00 0.00 0.00 0.00 51.96 51.68 1cwv s ALA 599 Cb -0.78 -1.38 0.35 0.00 0.00 0.00 0.00 23.12 21.31 1cwv s ALA 599 CO 0.43 -0.26 1.65 0.00 0.00 0.00 0.00 175.76 177.59 1cwv h ALA 600 N 7.75 1.00 0.00 0.00 0.00 -1.93 -2.83 119.26 123.25 1cwv h ALA 600 Ca -0.39 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1cwv h ALA 600 Cb 1.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1cwv h ALA 600 CO 0.60 0.62 0.00 -0.40 0.00 0.00 0.00 179.25 180.07 1cwv n ASP 601 N -4.02 0.11 -0.51 0.00 5.68 -1.26 -2.53 116.55 114.01 1cwv n ASP 601 Ca -0.02 0.52 0.06 0.00 -0.50 0.00 0.00 54.79 54.85 1cwv n ASP 601 Cb 0.50 -0.54 0.06 0.00 -1.14 0.00 0.00 41.12 40.00 1cwv n ASP 601 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1cwv n LYS 602 N -1.61 0.93 -3.23 0.11 5.02 -1.10 -5.00 118.16 113.28 1cwv n LYS 602 Ca 0.05 -1.32 -0.18 0.00 -2.02 0.00 0.00 58.31 54.83 1cwv n LYS 602 Cb 0.26 -1.24 -0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1cwv n LYS 602 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1cwv s SER 603 N -1.01 5.63 0.04 4.39 0.01 -1.05 -4.55 113.70 117.16 1cwv s SER 603 Ca 0.15 -0.41 -0.00 0.00 1.31 0.00 0.00 55.95 57.00 1cwv s SER 603 Cb 0.10 -0.79 -0.03 0.00 0.21 0.00 0.00 66.02 65.51 1cwv s SER 603 CO 0.15 -0.65 -0.04 0.42 0.41 0.00 0.00 173.24 173.54 1cwv s THR 604 N -2.32 0.24 -0.02 1.44 -4.23 -0.89 -4.91 115.64 104.95 1cwv s THR 604 Ca 0.51 -1.46 -0.01 0.00 -1.18 0.00 0.00 61.69 59.55 1cwv s THR 604 Cb -0.09 -1.04 0.01 0.00 1.34 0.00 0.00 72.50 72.73 1cwv s THR 604 CO 0.32 -0.78 0.04 -0.22 -0.54 0.00 0.00 174.62 173.44 1cwv s LEU 605 N -2.34 1.57 0.05 4.79 1.98 -1.26 0.36 118.68 123.83 1cwv s LEU 605 Ca -0.02 0.08 -0.10 0.00 -2.89 0.00 0.00 54.13 51.20 1cwv s LEU 605 Cb 0.00 0.08 0.01 0.00 0.66 0.00 0.00 46.19 46.94 1cwv s LEU 605 CO -0.06 -0.05 0.21 0.00 -1.89 0.00 0.00 176.35 174.56 1cwv s ALA 606 N 0.39 -0.38 -0.11 5.97 0.00 -0.12 -4.88 121.76 122.63 1cwv s ALA 606 Ca -0.03 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.64 1cwv s ALA 606 Cb -0.05 0.33 0.01 0.00 0.00 0.00 0.00 23.12 23.42 1cwv s ALA 606 CO -0.01 -0.40 -0.17 0.00 0.00 0.00 0.00 175.76 175.17 1cwv s ALA 607 N -2.82 1.83 -0.09 0.00 0.00 -1.26 -0.58 121.76 118.84 1cwv s ALA 607 Ca -0.03 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 1cwv s ALA 607 Cb 0.00 -0.85 0.05 0.00 0.00 0.00 0.00 23.12 22.32 1cwv s ALA 607 CO -0.05 -0.01 0.18 0.14 0.00 0.00 0.00 175.76 176.01 1cwv s VAL 608 N 0.85 -0.22 0.87 0.00 -7.23 -0.83 -3.75 120.40 110.09 1cwv s VAL 608 Ca -0.09 0.30 -0.13 0.00 -1.81 0.00 0.00 61.98 60.25 1cwv s VAL 608 Cb -0.15 -0.31 0.12 0.00 0.56 0.00 0.00 36.38 36.60 1cwv s VAL 608 CO -0.00 0.12 1.23 -2.16 -0.31 0.00 0.00 175.10 173.98 1cwv s PRO 609 N 2.01 1.46 0.00 4.82 0.04 -1.26 -0.40 135.00 141.67 1cwv s PRO 609 Ca -0.01 -0.06 0.27 0.00 0.04 0.00 0.00 61.00 61.24 1cwv s PRO 609 Cb -0.12 -1.91 0.89 0.00 0.04 0.00 0.00 34.50 33.41 1cwv s PRO 609 CO -0.06 -1.91 1.66 0.25 0.04 0.00 0.00 177.00 176.98 1cwv n THR 610 N -3.50 0.00 -4.09 1.26 -2.24 -1.25 -4.68 114.28 99.79 1cwv n THR 610 Ca 0.10 -0.05 -0.26 0.00 -2.27 0.00 0.00 64.05 61.58 1cwv n THR 610 Cb 0.60 0.06 -0.17 0.00 -2.10 0.00 0.00 70.33 68.73 1cwv n THR 610 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1cwv s SER 611 N -2.73 1.96 0.07 3.42 0.01 -1.26 -1.08 113.70 114.10 1cwv s SER 611 Ca 0.20 -0.28 0.05 0.00 1.31 0.00 0.00 55.95 57.23 1cwv s SER 611 Cb 0.19 -0.79 -0.03 0.00 0.21 0.00 0.00 66.02 65.60 1cwv s SER 611 CO 0.56 -0.08 -0.14 -0.63 0.41 0.00 0.00 173.24 173.36 1cwv s ILE 612 N 1.40 1.10 -0.06 1.44 -1.09 0.22 -4.97 121.20 119.24 1cwv s ILE 612 Ca -0.01 -1.32 -0.30 0.00 -2.23 0.00 0.00 60.65 56.80 1cwv s ILE 612 Cb -0.13 -1.08 -0.02 0.00 -1.58 0.00 0.00 42.46 39.65 1cwv s ILE 612 CO -0.05 -0.24 1.01 -0.63 -1.23 0.00 0.00 174.94 173.81 1cwv s ILE 613 N -1.31 4.76 -0.38 2.92 1.01 -1.26 0.47 121.20 127.41 1cwv s ILE 613 Ca -0.02 2.01 -0.03 0.00 0.00 0.00 0.00 60.65 62.61 1cwv s ILE 613 Cb -0.10 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.05 1cwv s ILE 613 CO 0.02 0.06 1.50 0.00 0.00 0.00 0.00 174.94 176.52 1cwv n ALA 614 N 4.63 2.73 0.08 9.38 0.00 0.50 -4.27 120.51 133.56 1cwv n ALA 614 Ca 0.08 -0.89 -0.14 0.00 0.00 0.00 0.00 53.44 52.49 1cwv n ALA 614 Cb 0.49 -2.67 -0.07 0.00 0.00 0.00 0.00 19.45 17.20 1cwv n ALA 614 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1cwv h ASP 615 N 6.91 0.50 0.00 0.00 1.82 -1.73 -3.39 116.42 120.53 1cwv h ASP 615 Ca 0.21 -0.43 0.00 0.00 -0.39 0.00 0.00 57.03 56.42 1cwv h ASP 615 Cb 0.12 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 39.98 1cwv h ASP 615 CO 1.10 1.26 0.00 0.61 -1.61 0.00 0.00 179.24 180.60 1cwv n GLY 616 N 1.10 0.95 1.43 -0.78 0.00 -0.06 -4.78 105.19 103.05 1cwv n GLY 616 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1cwv n GLY 616 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1cwv n LEU 617 N 0.00 0.16 -4.70 0.99 4.77 -1.26 -4.74 117.00 112.22 1cwv n LEU 617 Ca 0.00 0.08 -0.44 0.00 -0.03 0.00 0.00 56.01 55.63 1cwv n LEU 617 Cb 0.00 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1cwv n LEU 617 CO 0.00 -0.37 1.14 0.80 -1.33 0.00 0.00 177.39 177.63 1cwv n MET 618 N -2.99 2.31 -4.25 3.23 1.56 -1.26 -4.92 117.12 110.80 1cwv n MET 618 Ca 0.00 0.82 -0.19 0.00 -0.27 0.00 0.00 57.70 58.06 1cwv n MET 618 Cb 0.21 -2.55 -0.12 0.00 2.15 0.00 0.00 33.22 32.90 1cwv n MET 618 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1cwv s ALA 619 N 0.24 1.19 -0.12 -5.12 0.00 -1.26 -4.47 121.76 112.22 1cwv s ALA 619 Ca 0.69 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 51.61 1cwv s ALA 619 Cb -0.60 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 1cwv s ALA 619 CO 0.46 0.19 0.22 0.45 0.00 0.00 0.00 175.76 177.09 1cwv s SER 620 N -1.51 6.45 -0.36 0.00 0.15 -0.39 -4.59 113.70 113.46 1cwv s SER 620 Ca -0.00 0.53 -0.15 0.00 0.70 0.00 0.00 55.95 57.04 1cwv s SER 620 Cb -0.09 -2.13 -0.01 0.00 -1.71 0.00 0.00 66.02 62.08 1cwv s SER 620 CO 0.02 0.29 0.32 -0.89 1.20 0.00 0.00 173.24 174.18 1cwv s THR 621 N -0.48 5.21 -0.23 6.45 2.01 0.47 -0.48 115.64 128.60 1cwv s THR 621 Ca 0.16 -0.17 -0.23 0.00 0.31 0.00 0.00 61.69 61.76 1cwv s THR 621 Cb -0.13 -3.82 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 1cwv s THR 621 CO 0.05 -0.13 0.73 -0.63 -0.69 0.00 0.00 174.62 173.95 1cwv s ILE 622 N 1.89 4.92 -0.12 1.82 -1.09 -0.48 -1.96 121.20 126.19 1cwv s ILE 622 Ca 0.09 1.37 0.03 0.00 -2.23 0.00 0.00 60.65 59.91 1cwv s ILE 622 Cb -0.17 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.68 1cwv s ILE 622 CO 0.11 0.01 -0.23 -0.89 -1.23 0.00 0.00 174.94 172.71 1cwv s THR 623 N 2.47 2.04 -0.11 2.92 2.01 0.25 -2.41 115.64 122.81 1cwv s THR 623 Ca 0.31 -0.99 -0.01 0.00 0.31 0.00 0.00 61.69 61.31 1cwv s THR 623 Cb -0.16 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.55 1cwv s THR 623 CO 0.09 0.55 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.26 1cwv s LEU 624 N 0.54 2.96 -0.51 4.42 2.96 -0.29 -0.94 118.68 127.82 1cwv s LEU 624 Ca -0.14 -0.19 -0.10 0.00 -0.22 0.00 0.00 54.13 53.47 1cwv s LEU 624 Cb -0.17 -1.67 0.13 0.00 0.50 0.00 0.00 46.19 44.98 1cwv s LEU 624 CO 0.05 0.23 0.40 -1.61 -1.32 0.00 0.00 176.35 174.09 1cwv s GLU 625 N -0.01 2.62 -0.49 1.98 2.02 0.16 -1.33 118.70 123.64 1cwv s GLU 625 Ca -0.02 -1.83 -0.27 0.00 0.02 0.00 0.00 54.97 52.87 1cwv s GLU 625 Cb -0.14 -4.00 0.03 0.00 0.10 0.00 0.00 34.13 30.12 1cwv s GLU 625 CO 0.03 -1.22 1.06 -1.17 0.02 0.00 0.00 175.26 173.99 1cwv s LEU 626 N 1.27 3.76 0.23 1.80 2.96 0.10 -2.09 118.68 126.71 1cwv s LEU 626 Ca 0.06 0.25 0.11 0.00 -0.22 0.00 0.00 54.13 54.34 1cwv s LEU 626 Cb -0.26 -3.34 -0.05 0.00 0.50 0.00 0.00 46.19 43.05 1cwv s LEU 626 CO -0.01 -1.22 -0.20 -0.54 -1.32 0.00 0.00 176.35 173.07 1cwv s LYS 627 N 4.26 1.68 0.00 1.98 1.02 -1.26 -1.55 119.74 125.88 1cwv s LYS 627 Ca 0.43 -1.59 0.00 0.00 0.02 0.00 0.00 55.97 54.83 1cwv s LYS 627 Cb -0.08 -1.87 0.00 0.00 -0.52 0.00 0.00 37.83 35.36 1cwv s LYS 627 CO 0.29 0.37 0.00 -0.40 -0.92 0.00 0.00 175.35 174.69 1cwv n ASP 628 N -0.18 0.27 -0.27 2.83 5.68 0.21 -1.64 116.55 123.45 1cwv n ASP 628 Ca -0.09 -0.97 0.03 0.00 -0.50 0.00 0.00 54.79 53.26 1cwv n ASP 628 Cb 0.58 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.81 1cwv n ASP 628 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1cwv h THR 629 N 0.13 1.10 0.00 2.12 2.02 -1.06 -0.78 112.91 116.44 1cwv h THR 629 Ca 0.00 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1cwv h THR 629 Cb 0.00 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1cwv h THR 629 CO 0.00 0.18 -0.01 0.00 0.37 0.00 0.00 175.52 176.06 1cwv n TYR 630 N -4.47 0.25 -0.32 3.16 9.36 -1.26 -4.89 117.16 118.99 1cwv n TYR 630 Ca 0.12 0.07 0.00 0.00 3.32 0.00 0.00 57.90 61.41 1cwv n TYR 630 Cb 0.16 -0.62 0.00 0.00 -0.63 0.00 0.00 39.34 38.25 1cwv n TYR 630 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1cwv n GLY 631 N 1.45 0.82 3.90 2.98 0.00 -0.30 -5.08 105.19 108.96 1cwv n GLY 631 Ca 0.07 -0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1cwv n GLY 631 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cwv s ASP 632 N -2.20 6.49 0.36 1.61 1.01 -1.26 -4.72 116.67 117.97 1cwv s ASP 632 Ca 0.00 0.67 -0.26 0.00 0.71 0.00 0.00 52.55 53.67 1cwv s ASP 632 Cb 0.00 -2.12 -0.09 0.00 1.01 0.00 0.00 42.92 41.72 1cwv s ASP 632 CO 0.00 -0.06 1.11 -2.16 0.21 0.00 0.00 175.17 174.27 1cwv s PRO 633 N -3.07 4.27 -0.21 8.23 0.04 -1.26 -0.62 135.00 142.38 1cwv s PRO 633 Ca 0.43 1.72 0.01 0.00 0.04 0.00 0.00 61.00 63.21 1cwv s PRO 633 Cb -0.11 -2.79 0.04 0.00 0.04 0.00 0.00 34.50 31.68 1cwv s PRO 633 CO 0.26 -0.10 -0.14 -0.65 0.04 0.00 0.00 177.00 176.41 1cwv s GLN 634 N -2.11 2.40 0.57 4.56 -1.52 -0.59 -4.89 119.66 118.08 1cwv s GLN 634 Ca 0.53 -0.97 0.09 0.00 -1.95 0.00 0.00 55.36 53.07 1cwv s GLN 634 Cb -0.28 -2.58 0.08 0.00 -0.22 0.00 0.00 33.01 30.01 1cwv s GLN 634 CO 0.36 -0.39 0.77 0.00 -0.25 0.00 0.00 175.29 175.78 1cwv s ALA 635 N 1.29 4.70 -0.33 6.09 0.00 -1.26 -4.41 121.76 127.83 1cwv s ALA 635 Ca -0.01 -2.10 0.00 0.00 0.00 0.00 0.00 51.96 49.85 1cwv s ALA 635 Cb -0.16 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.54 1cwv s ALA 635 CO -0.09 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.25 1cwv n GLY 636 N -2.21 0.29 3.82 0.00 0.00 -1.26 -4.95 105.19 100.88 1cwv n GLY 636 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1cwv n GLY 636 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cwv s ALA 637 N -1.19 2.89 -0.75 4.61 0.00 -1.26 -4.97 121.76 121.08 1cwv s ALA 637 Ca 0.00 0.27 -0.21 0.00 0.00 0.00 0.00 51.96 52.03 1cwv s ALA 637 Cb 0.00 -3.18 0.10 0.00 0.00 0.00 0.00 23.12 20.04 1cwv s ALA 637 CO 0.00 -0.58 1.00 1.21 0.00 0.00 0.00 175.76 177.39 1cwv s ASN 638 N -2.99 6.34 0.04 0.00 2.47 -1.26 -5.01 114.94 114.52 1cwv s ASN 638 Ca 0.61 -1.42 0.04 0.00 0.42 0.00 0.00 52.86 52.51 1cwv s ASN 638 Cb -0.13 -2.40 -0.04 0.00 -1.45 0.00 0.00 41.25 37.23 1cwv s ASN 638 CO 0.36 -1.27 -0.04 -0.69 -3.72 0.00 0.00 177.10 171.74 1cwv s VAL 639 N 3.43 3.82 -0.02 -5.21 1.01 -1.26 -0.56 120.40 121.60 1cwv s VAL 639 Ca 0.25 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 1cwv s VAL 639 Cb -0.13 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.52 1cwv s VAL 639 CO 0.03 0.28 0.07 0.00 0.00 0.00 0.00 175.10 175.48 1cwv s ALA 640 N -1.13 -0.17 -0.00 5.51 0.00 0.24 -4.92 121.76 121.27 1cwv s ALA 640 Ca 0.21 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.32 1cwv s ALA 640 Cb -0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 1cwv s ALA 640 CO 0.12 -0.05 0.01 -0.06 0.00 0.00 0.00 175.76 175.78 1cwv s PHE 641 N -0.13 3.11 -0.06 0.00 2.99 -1.26 -1.06 117.98 121.57 1cwv s PHE 641 Ca -0.02 0.10 0.03 0.00 0.00 0.00 0.00 56.93 57.05 1cwv s PHE 641 Cb -0.02 -1.68 0.00 0.00 0.00 0.00 0.00 43.02 41.33 1cwv s PHE 641 CO 0.00 0.48 -0.15 -0.51 -0.00 0.00 0.00 175.22 175.04 1cwv s ASP 642 N -1.56 1.97 -0.02 1.36 1.01 0.30 -4.96 116.67 114.77 1cwv s ASP 642 Ca 0.20 -0.33 0.07 0.00 0.71 0.00 0.00 52.55 53.20 1cwv s ASP 642 Cb -0.12 -0.74 -0.02 0.00 1.01 0.00 0.00 42.92 43.06 1cwv s ASP 642 CO 0.10 0.09 -0.22 0.28 0.21 0.00 0.00 175.17 175.64 1cwv s THR 643 N 0.35 1.74 -0.04 -1.27 -1.32 -1.26 -0.27 115.64 113.58 1cwv s THR 643 Ca -0.10 -0.94 0.31 0.00 -1.21 0.00 0.00 61.69 59.75 1cwv s THR 643 Cb -0.14 -1.45 0.37 0.00 -1.51 0.00 0.00 72.50 69.78 1cwv s THR 643 CO 0.03 0.49 1.90 0.71 -2.21 0.00 0.00 174.62 175.55 1cwv h THR 644 N 4.59 0.00 -3.04 5.08 1.35 -1.73 -3.45 112.91 115.71 1cwv h THR 644 Ca -0.40 -0.57 -0.13 0.00 -0.55 0.00 0.00 66.41 64.75 1cwv h THR 644 Cb 1.13 1.55 -0.22 0.00 -1.73 0.00 0.00 68.15 68.89 1cwv h THR 644 CO 0.48 0.00 -0.32 -0.22 -0.25 0.00 0.00 175.52 175.20 1cwv s LEU 645 N -6.04 0.88 0.00 3.87 2.96 -1.26 -4.95 118.68 114.14 1cwv s LEU 645 Ca 0.03 0.31 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 1cwv s LEU 645 Cb 0.08 1.14 0.00 0.00 0.50 0.00 0.00 46.19 47.91 1cwv s LEU 645 CO 0.55 -0.29 0.00 0.61 -1.32 0.00 0.00 176.35 175.91 1cwv n GLY 646 N 2.02 -1.77 2.98 7.98 0.00 -1.26 -4.81 105.19 110.33 1cwv n GLY 646 Ca -0.18 -2.02 -0.31 0.00 0.00 0.00 0.00 46.02 43.51 1cwv n GLY 646 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1cwv s ASN 647 N -4.00 4.26 0.16 1.61 3.84 -0.51 -5.00 114.94 115.30 1cwv s ASN 647 Ca 0.00 -1.52 -0.30 0.00 0.21 0.00 0.00 52.86 51.25 1cwv s ASN 647 Cb 0.00 -1.37 -0.07 0.00 -0.55 0.00 0.00 41.25 39.26 1cwv s ASN 647 CO 0.00 -0.27 1.17 -0.32 -2.79 0.00 0.00 177.10 174.89 1cwv s MET 648 N 1.21 4.51 0.00 0.43 -2.45 -1.26 -2.95 119.30 118.79 1cwv s MET 648 Ca -0.01 1.82 0.00 0.00 -1.25 0.00 0.00 55.69 56.25 1cwv s MET 648 Cb -0.19 -3.27 0.00 0.00 1.25 0.00 0.00 34.83 32.62 1cwv s MET 648 CO -0.08 -0.08 0.00 0.41 1.05 0.00 0.00 175.02 176.32 1cwv n GLY 649 N 2.34 -0.72 3.78 2.11 0.00 0.13 -5.01 105.19 107.82 1cwv n GLY 649 Ca 0.05 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 1cwv n GLY 649 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cwv s VAL 650 N -0.02 4.80 -0.20 1.61 0.11 -1.26 -4.79 120.40 120.65 1cwv s VAL 650 Ca 0.00 1.28 -0.29 0.00 -2.93 0.00 0.00 61.98 60.04 1cwv s VAL 650 Cb 0.00 -3.94 -0.00 0.00 -1.53 0.00 0.00 36.38 30.91 1cwv s VAL 650 CO 0.00 0.48 1.15 -0.63 -3.33 0.00 0.00 175.10 172.77 1cwv s ILE 651 N -0.61 4.48 -0.26 7.04 -1.09 -1.26 -4.34 121.20 125.15 1cwv s ILE 651 Ca 0.31 1.79 -0.06 0.00 -2.23 0.00 0.00 60.65 60.46 1cwv s ILE 651 Cb -0.19 -4.15 -0.00 0.00 -1.58 0.00 0.00 42.46 36.54 1cwv s ILE 651 CO 0.19 -0.16 0.04 0.42 -1.23 0.00 0.00 174.94 174.20 1cwv s THR 652 N 3.33 3.80 -0.48 2.92 -4.23 0.50 -4.93 115.64 116.55 1cwv s THR 652 Ca 0.49 -0.57 -0.29 0.00 -1.18 0.00 0.00 61.69 60.14 1cwv s THR 652 Cb -0.18 -2.87 0.03 0.00 1.34 0.00 0.00 72.50 70.82 1cwv s THR 652 CO 0.11 0.22 1.13 -0.62 -0.54 0.00 0.00 174.62 174.92 1cwv s ASP 653 N 1.50 6.63 -0.00 3.99 2.15 -1.26 -2.27 116.67 127.40 1cwv s ASP 653 Ca 0.04 0.45 0.00 0.00 0.43 0.00 0.00 52.55 53.47 1cwv s ASP 653 Cb -0.16 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 1cwv s ASP 653 CO 0.01 -1.25 0.53 1.41 -0.17 0.00 0.00 175.17 175.69 1cwv n HIS 654 N 7.84 0.01 -2.10 -5.34 8.25 -0.81 -4.87 115.22 118.20 1cwv n HIS 654 Ca 0.12 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1cwv n HIS 654 Cb 0.49 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.50 1cwv n HIS 654 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1cwv n ASN 655 N -0.02 -0.74 0.00 0.41 4.13 -1.26 -4.55 115.26 113.22 1cwv n ASN 655 Ca 0.00 0.37 0.00 0.00 1.68 0.00 0.00 54.58 56.63 1cwv n ASN 655 Cb 0.24 -0.86 0.00 0.00 -1.54 0.00 0.00 39.78 37.62 1cwv n ASN 655 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1cwv n ASP 656 N -0.86 0.36 0.00 6.41 5.75 -1.26 -4.92 116.55 122.03 1cwv n ASP 656 Ca 0.00 -0.79 0.00 0.00 -0.01 0.00 0.00 54.79 53.99 1cwv n ASP 656 Cb 0.37 0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 1cwv n ASP 656 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cwv n GLY 657 N 0.14 0.91 3.53 6.12 0.00 -1.26 -4.77 105.19 109.85 1cwv n GLY 657 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1cwv n GLY 657 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cwv s THR 658 N -2.00 3.15 0.01 2.61 -4.23 -1.26 -0.72 115.64 113.20 1cwv s THR 658 Ca 0.00 -1.16 0.05 0.00 -1.18 0.00 0.00 61.69 59.40 1cwv s THR 658 Cb 0.00 -2.39 -0.02 0.00 1.34 0.00 0.00 72.50 71.43 1cwv s THR 658 CO 0.00 0.26 -0.14 -0.31 -0.54 0.00 0.00 174.62 173.88 1cwv s TYR 659 N -1.05 1.28 0.05 3.99 1.51 -0.44 -1.91 117.35 120.76 1cwv s TYR 659 Ca 0.18 -0.29 -0.00 0.00 -1.01 0.00 0.00 57.07 55.94 1cwv s TYR 659 Cb -0.11 -0.79 -0.03 0.00 -0.11 0.00 0.00 41.96 40.92 1cwv s TYR 659 CO 0.09 0.01 -0.04 -1.12 -1.11 0.00 0.00 175.55 173.38 1cwv s SER 660 N -0.69 0.53 -0.25 2.29 0.01 -0.96 -1.14 113.70 113.48 1cwv s SER 660 Ca 0.04 -0.81 -0.24 0.00 1.31 0.00 0.00 55.95 56.25 1cwv s SER 660 Cb -0.07 0.14 0.07 0.00 0.21 0.00 0.00 66.02 66.37 1cwv s SER 660 CO 0.00 -0.45 0.69 0.00 0.41 0.00 0.00 173.24 173.89 1cwv s ALA 661 N -2.90 -1.71 0.18 1.44 0.00 -1.01 -0.37 121.76 117.40 1cwv s ALA 661 Ca -0.01 1.92 -0.23 0.00 0.00 0.00 0.00 51.96 53.64 1cwv s ALA 661 Cb 0.00 -1.09 -0.08 0.00 0.00 0.00 0.00 23.12 21.95 1cwv s ALA 661 CO -0.06 -0.33 0.75 -1.25 0.00 0.00 0.00 175.76 174.88 1cwv s PRO 662 N 0.31 4.45 -0.12 0.00 0.04 -1.26 -1.38 135.00 137.03 1cwv s PRO 662 Ca -0.00 1.05 0.01 0.00 0.04 0.00 0.00 61.00 62.09 1cwv s PRO 662 Cb -0.05 -3.13 0.02 0.00 0.04 0.00 0.00 34.50 31.38 1cwv s PRO 662 CO 0.01 0.51 -0.14 -1.17 0.04 0.00 0.00 177.00 176.26 1cwv s LEU 663 N -1.43 1.64 0.00 -3.56 2.96 0.37 0.20 118.68 118.87 1cwv s LEU 663 Ca 0.38 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 1cwv s LEU 663 Cb -0.21 -1.08 -0.01 0.00 0.50 0.00 0.00 46.19 45.40 1cwv s LEU 663 CO 0.24 -0.02 0.06 0.35 -1.32 0.00 0.00 176.35 175.66 1cwv n THR 664 N 4.46 0.00 -3.61 3.68 -2.24 -1.15 -1.26 114.28 114.15 1cwv n THR 664 Ca -0.18 -2.50 -0.09 0.00 -2.27 0.00 0.00 64.05 59.01 1cwv n THR 664 Cb 0.51 0.65 -0.06 0.00 -2.10 0.00 0.00 70.33 69.33 1cwv n THR 664 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1cwv s SER 665 N -3.80 -0.40 0.00 3.42 0.15 -1.26 -1.42 113.70 110.39 1cwv s SER 665 Ca 0.09 0.66 0.16 0.00 0.70 0.00 0.00 55.95 57.55 1cwv s SER 665 Cb 0.00 0.62 0.01 0.00 -1.71 0.00 0.00 66.02 64.95 1cwv s SER 665 CO 0.06 -0.22 0.86 0.35 1.20 0.00 0.00 173.24 175.49 1cwv n THR 666 N 1.61 0.00 -4.15 6.45 -2.24 -1.26 -0.88 114.28 113.81 1cwv n THR 666 Ca -0.11 -0.36 -0.28 0.00 -2.27 0.00 0.00 64.05 61.03 1cwv n THR 666 Cb 0.57 1.20 -0.07 0.00 -2.10 0.00 0.00 70.33 69.93 1cwv n THR 666 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1cwv s THR 667 N -1.78 4.00 0.37 4.28 2.01 -1.26 -4.87 115.64 118.39 1cwv s THR 667 Ca 0.14 -1.19 -0.14 0.00 0.31 0.00 0.00 61.69 60.81 1cwv s THR 667 Cb 0.13 -2.98 -0.08 0.00 0.01 0.00 0.00 72.50 69.57 1cwv s THR 667 CO 0.37 -0.03 0.78 -0.76 -0.69 0.00 0.00 174.62 174.29 1cwv s LEU 668 N -2.75 3.94 0.00 4.42 1.43 -1.26 -4.75 118.68 119.71 1cwv s LEU 668 Ca 0.28 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.65 1cwv s LEU 668 Cb -0.10 -4.12 0.00 0.00 0.03 0.00 0.00 46.19 42.00 1cwv s LEU 668 CO 0.20 -0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.08 1cwv n GLY 669 N -0.79 0.77 3.53 -3.19 0.00 -0.59 -4.97 105.19 99.94 1cwv n GLY 669 Ca 0.04 -1.90 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 1cwv n GLY 669 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cwv s VAL 670 N -1.16 3.98 -0.06 1.61 1.01 -1.26 0.48 120.40 124.99 1cwv s VAL 670 Ca 0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 1cwv s VAL 670 Cb 0.00 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1cwv s VAL 670 CO 0.00 0.51 -0.01 0.00 0.00 0.00 0.00 175.10 175.59 1cwv s ALA 671 N 0.20 3.23 -0.21 5.51 0.00 -0.52 -4.69 121.76 125.29 1cwv s ALA 671 Ca -0.02 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.07 1cwv s ALA 671 Cb -0.14 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.60 1cwv s ALA 671 CO 0.03 0.60 -0.12 0.99 0.00 0.00 0.00 175.76 177.26 1cwv s THR 672 N -0.93 2.69 -0.15 0.00 2.01 -1.26 -1.17 115.64 116.83 1cwv s THR 672 Ca 0.15 -0.80 -0.07 0.00 0.31 0.00 0.00 61.69 61.28 1cwv s THR 672 Cb -0.11 -2.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 1cwv s THR 672 CO 0.04 0.43 0.10 -0.69 -0.69 0.00 0.00 174.62 173.81 1cwv s VAL 673 N 1.36 5.11 0.23 3.82 1.01 -0.15 -1.89 120.40 129.90 1cwv s VAL 673 Ca 0.04 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.12 1cwv s VAL 673 Cb -0.14 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 1cwv s VAL 673 CO -0.08 0.52 0.03 0.42 0.00 0.00 0.00 175.10 176.00 1cwv s THR 674 N -0.23 0.84 0.27 3.92 -4.23 0.63 -2.30 115.64 114.54 1cwv s THR 674 Ca 0.09 -2.01 0.10 0.00 -1.18 0.00 0.00 61.69 58.70 1cwv s THR 674 Cb -0.12 -2.42 -0.05 0.00 1.34 0.00 0.00 72.50 71.26 1cwv s THR 674 CO 0.01 -0.24 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.10 1cwv s VAL 675 N -3.55 3.15 -0.11 2.29 1.01 -1.26 -0.54 120.40 121.38 1cwv s VAL 675 Ca 0.31 -2.06 -0.05 0.00 0.00 0.00 0.00 61.98 60.17 1cwv s VAL 675 Cb 0.07 -2.68 0.05 0.00 0.00 0.00 0.00 36.38 33.82 1cwv s VAL 675 CO 0.10 -0.38 0.25 -0.54 0.00 0.00 0.00 175.10 174.53 1cwv s LYS 676 N -3.62 0.19 -0.16 2.72 1.02 -0.23 -1.94 119.74 117.72 1cwv s LYS 676 Ca 0.31 0.60 0.02 0.00 0.02 0.00 0.00 55.97 56.92 1cwv s LYS 676 Cb -0.06 -0.09 0.01 0.00 -0.52 0.00 0.00 37.83 37.17 1cwv s LYS 676 CO 0.18 -0.20 -0.21 0.14 -0.92 0.00 0.00 175.35 174.34 1cwv s VAL 677 N 1.62 2.07 -1.19 3.17 -7.23 0.12 -0.60 120.40 118.37 1cwv s VAL 677 Ca -0.06 -0.96 -0.04 0.00 -1.81 0.00 0.00 61.98 59.11 1cwv s VAL 677 Cb -0.11 -1.84 0.00 0.00 0.56 0.00 0.00 36.38 35.00 1cwv s VAL 677 CO -0.09 0.55 1.02 0.47 -0.31 0.00 0.00 175.10 176.74 1cwv n ASP 678 N 4.29 -4.06 0.00 4.85 8.00 0.27 -2.06 116.55 127.84 1cwv n ASP 678 Ca -0.20 -0.54 0.00 0.00 0.71 0.00 0.00 54.79 54.76 1cwv n ASP 678 Cb 0.51 -4.76 0.00 0.00 -0.02 0.00 0.00 41.12 36.85 1cwv n ASP 678 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1cwv n GLY 679 N -1.51 1.69 3.89 0.44 0.00 -1.26 -4.97 105.19 103.45 1cwv n GLY 679 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 1cwv n GLY 679 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cwv s ALA 680 N -1.67 3.89 0.20 4.61 0.00 -0.87 -5.02 121.76 122.89 1cwv s ALA 680 Ca 0.00 -0.90 -0.31 0.00 0.00 0.00 0.00 51.96 50.74 1cwv s ALA 680 Cb 0.00 -1.72 -0.10 0.00 0.00 0.00 0.00 23.12 21.29 1cwv s ALA 680 CO 0.00 0.78 1.54 0.00 0.00 0.00 0.00 175.76 178.08 1cwv s ALA 681 N -1.51 3.74 -0.32 0.00 0.00 -1.26 0.17 121.76 122.58 1cwv s ALA 681 Ca 0.34 1.38 -0.04 0.00 0.00 0.00 0.00 51.96 53.64 1cwv s ALA 681 Cb -0.13 -3.61 0.04 0.00 0.00 0.00 0.00 23.12 19.43 1cwv s ALA 681 CO 0.27 -0.79 0.05 0.12 0.00 0.00 0.00 175.76 175.40 1cwv s PHE 682 N 0.76 3.26 -0.27 0.00 5.36 -0.82 -4.81 117.98 121.45 1cwv s PHE 682 Ca 0.67 -1.66 0.00 0.00 -0.96 0.00 0.00 56.93 54.97 1cwv s PHE 682 Cb -0.44 -2.18 0.00 0.00 -0.34 0.00 0.00 43.02 40.06 1cwv s PHE 682 CO 0.36 -0.77 0.12 0.43 -1.46 0.00 0.00 175.22 173.90 1cwv n SER 683 N 4.71 0.35 -4.76 6.13 7.64 -1.26 -4.27 113.62 122.15 1cwv n SER 683 Ca -0.13 -0.28 -0.41 0.00 1.01 0.00 0.00 58.87 59.06 1cwv n SER 683 Cb 0.44 -0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 63.54 1cwv n SER 683 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1cwv s VAL 684 N 0.35 2.94 0.01 0.44 0.11 -1.26 -4.86 120.40 118.13 1cwv s VAL 684 Ca 0.00 0.93 -0.37 0.00 -2.93 0.00 0.00 61.98 59.61 1cwv s VAL 684 Cb 0.00 -3.59 -0.16 0.00 -1.53 0.00 0.00 36.38 31.10 1cwv s VAL 684 CO 0.00 0.21 1.48 -2.65 -3.33 0.00 0.00 175.10 170.82 1cwv n PRO 685 N 1.05 1.33 -0.78 1.54 -0.02 -1.26 -4.77 135.00 132.09 1cwv n PRO 685 Ca 0.00 0.48 -0.30 0.00 -2.02 0.00 0.00 63.50 61.66 1cwv n PRO 685 Cb 0.43 -2.16 0.17 0.00 -0.02 0.00 0.00 33.50 31.92 1cwv n PRO 685 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1cwv s SER 686 N 1.35 2.84 0.16 2.55 1.04 -1.26 -4.68 113.70 115.70 1cwv s SER 686 Ca 0.87 1.99 0.07 0.00 0.48 0.00 0.00 55.95 59.36 1cwv s SER 686 Cb -0.93 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 62.65 1cwv s SER 686 CO 0.50 -3.12 -0.15 0.68 0.98 0.00 0.00 173.24 172.13 1cwv s VAL 687 N -2.67 1.56 0.24 5.02 -7.23 -0.97 -4.96 120.40 111.38 1cwv s VAL 687 Ca 0.66 -1.97 0.11 0.00 -1.81 0.00 0.00 61.98 58.97 1cwv s VAL 687 Cb -0.22 -1.81 -0.05 0.00 0.56 0.00 0.00 36.38 34.86 1cwv s VAL 687 CO 0.59 -0.49 -0.16 0.42 -0.31 0.00 0.00 175.10 175.15 1cwv s THR 688 N -2.53 2.73 -0.18 5.32 -4.23 -1.26 -0.98 115.64 114.52 1cwv s THR 688 Ca 0.16 -2.11 -0.04 0.00 -1.18 0.00 0.00 61.69 58.52 1cwv s THR 688 Cb -0.03 -2.39 0.08 0.00 1.34 0.00 0.00 72.50 71.50 1cwv s THR 688 CO 0.05 -0.27 0.22 -0.69 -0.54 0.00 0.00 174.62 173.38 1cwv s VAL 689 N -2.13 -0.33 -0.26 2.29 1.01 -0.32 -4.82 120.40 115.86 1cwv s VAL 689 Ca 0.27 -0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.95 1cwv s VAL 689 Cb -0.07 -0.60 0.01 0.00 0.00 0.00 0.00 36.38 35.72 1cwv s VAL 689 CO 0.15 -0.13 1.08 0.20 0.00 0.00 0.00 175.10 176.40 1cwv s ASN 690 N 2.33 7.01 -0.45 3.32 -0.87 -0.24 -1.44 114.94 124.60 1cwv s ASN 690 Ca 0.06 1.29 -0.17 0.00 -1.57 0.00 0.00 52.86 52.46 1cwv s ASN 690 Cb -0.15 -2.54 0.04 0.00 -0.02 0.00 0.00 41.25 38.58 1cwv s ASN 690 CO -0.11 -0.77 0.48 -0.36 -2.57 0.00 0.00 177.10 173.78 1cwv s PHE 691 N 3.43 3.15 0.54 2.20 0.40 0.18 -0.61 117.98 127.26 1cwv s PHE 691 Ca 0.46 -0.52 0.06 0.00 -0.60 0.00 0.00 56.93 56.32 1cwv s PHE 691 Cb -0.15 -3.12 0.04 0.00 0.51 0.00 0.00 43.02 40.31 1cwv s PHE 691 CO 0.11 -0.81 0.43 0.95 0.70 0.00 0.00 175.22 176.59 1cwv s THR 692 N 2.17 1.72 0.37 0.64 -4.23 0.18 -1.54 115.64 114.95 1cwv s THR 692 Ca 0.11 -1.46 -0.06 0.00 -1.18 0.00 0.00 61.69 59.11 1cwv s THR 692 Cb -0.19 -2.18 -0.05 0.00 1.34 0.00 0.00 72.50 71.42 1cwv s THR 692 CO 0.12 0.00 0.65 0.00 -0.54 0.00 0.00 174.62 174.85 1cwv s ALA 693 N -2.75 3.52 0.24 3.99 0.00 -1.26 0.19 121.76 125.68 1cwv s ALA 693 Ca 0.36 -0.51 -0.30 0.00 0.00 0.00 0.00 51.96 51.51 1cwv s ALA 693 Cb -0.02 -2.43 -0.11 0.00 0.00 0.00 0.00 23.12 20.56 1cwv s ALA 693 CO 0.22 0.02 1.53 0.34 0.00 0.00 0.00 175.76 177.88 1cwv s ASP 694 N -3.48 6.54 0.00 0.00 -1.08 -1.26 -4.85 116.67 112.53 1cwv s ASP 694 Ca 0.46 2.75 0.17 0.00 -0.52 0.00 0.00 52.55 55.42 1cwv s ASP 694 Cb -0.10 -2.62 0.75 0.00 -1.46 0.00 0.00 42.92 39.49 1cwv s ASP 694 CO 0.34 -0.81 1.56 -0.81 0.52 0.00 0.00 175.17 175.97 1cwv n PRO 695 N 2.75 0.01 -3.27 4.34 -0.04 -1.26 -4.68 135.00 132.84 1cwv n PRO 695 Ca 0.09 0.20 -0.39 0.00 -0.04 0.00 0.00 63.50 63.36 1cwv n PRO 695 Cb 0.39 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.27 1cwv n PRO 695 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1cwv s ILE 696 N -2.99 5.10 0.46 0.52 1.01 -1.26 -5.06 121.20 118.98 1cwv s ILE 696 Ca 0.09 0.83 -0.23 0.00 0.00 0.00 0.00 60.65 61.35 1cwv s ILE 696 Cb 0.11 -3.80 -0.08 0.00 0.01 0.00 0.00 42.46 38.70 1cwv s ILE 696 CO 0.32 0.13 1.12 -2.84 0.00 0.00 0.00 174.94 173.67 1cwv s PRO 697 N 2.05 3.81 -0.35 2.79 0.02 -1.26 -4.44 135.00 137.62 1cwv s PRO 697 Ca 0.21 1.66 -0.11 0.00 0.02 0.00 0.00 61.00 62.77 1cwv s PRO 697 Cb -0.15 -2.37 0.01 0.00 0.02 0.00 0.00 34.50 32.01 1cwv s PRO 697 CO 0.09 -0.48 0.20 0.34 -0.33 0.00 0.00 177.00 176.83 1cwv s ASP 698 N -1.51 5.75 0.42 2.53 -1.08 0.34 -4.91 116.67 118.21 1cwv s ASP 698 Ca 0.64 -0.74 0.25 0.00 -0.52 0.00 0.00 52.55 52.18 1cwv s ASP 698 Cb -0.25 -2.05 1.30 0.00 -1.46 0.00 0.00 42.92 40.46 1cwv s ASP 698 CO 0.31 -0.30 1.68 0.00 0.52 0.00 0.00 175.17 177.37 1cwv h ALA 699 N 8.43 2.52 -0.26 3.66 0.00 -1.91 -0.02 119.26 131.68 1cwv h ALA 699 Ca -0.29 0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 1cwv h ALA 699 Cb 1.13 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1cwv h ALA 699 CO 0.65 -1.07 -0.40 0.78 0.00 0.00 0.00 179.25 179.21 1cwv h GLY 700 N 0.20 0.81 1.19 0.00 0.00 -1.93 -3.32 103.07 100.01 1cwv h GLY 700 Ca 0.74 -0.91 -0.21 0.00 0.00 0.00 0.00 47.33 46.95 1cwv h GLY 700 CO -0.38 0.81 -1.40 3.21 0.00 0.00 0.00 176.54 178.78 1cwv h ARG 701 N 0.48 0.00 -7.29 4.80 3.08 -1.58 -3.47 114.38 110.40 1cwv h ARG 701 Ca 0.02 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.57 1cwv h ARG 701 Cb 1.00 0.00 0.09 0.00 0.08 0.00 0.00 29.97 31.13 1cwv h ARG 701 CO 0.09 0.46 0.37 -1.12 -1.07 0.00 0.00 179.97 178.70 1cwv s SER 702 N -6.06 5.48 0.06 7.04 0.01 -0.12 -4.62 113.70 115.48 1cwv s SER 702 Ca -0.02 1.68 -0.00 0.00 1.31 0.00 0.00 55.95 58.92 1cwv s SER 702 Cb 0.08 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 1cwv s SER 702 CO 0.81 -1.38 -0.04 -0.94 0.41 0.00 0.00 173.24 172.11 1cwv s SER 703 N -3.47 0.61 -0.03 2.44 1.04 -0.29 -4.91 113.70 109.08 1cwv s SER 703 Ca 0.60 -0.95 -0.01 0.00 0.48 0.00 0.00 55.95 56.07 1cwv s SER 703 Cb -0.15 0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.17 1cwv s SER 703 CO 0.49 -0.54 0.03 0.12 0.98 0.00 0.00 173.24 174.32 1cwv s PHE 704 N -3.61 0.17 0.04 5.02 5.36 -1.26 -0.89 117.98 122.81 1cwv s PHE 704 Ca 0.06 0.11 0.04 0.00 -0.96 0.00 0.00 56.93 56.18 1cwv s PHE 704 Cb 0.06 -0.42 -0.02 0.00 -0.34 0.00 0.00 43.02 42.30 1cwv s PHE 704 CO -0.08 -0.16 -0.12 0.99 -1.46 0.00 0.00 175.22 174.39 1cwv s THR 705 N 1.52 0.95 -0.07 0.12 2.01 0.51 -4.94 115.64 115.73 1cwv s THR 705 Ca -0.03 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.03 1cwv s THR 705 Cb -0.13 -0.88 -0.02 0.00 0.01 0.00 0.00 72.50 71.48 1cwv s THR 705 CO -0.03 -0.07 -0.17 0.68 -0.69 0.00 0.00 174.62 174.33 1cwv s VAL 706 N -0.91 2.73 0.21 3.82 -7.23 -1.26 0.33 120.40 118.08 1cwv s VAL 706 Ca -0.01 -0.82 -0.09 0.00 -1.81 0.00 0.00 61.98 59.25 1cwv s VAL 706 Cb -0.08 -2.07 0.15 0.00 0.56 0.00 0.00 36.38 34.94 1cwv s VAL 706 CO 0.01 0.57 1.81 0.77 -0.31 0.00 0.00 175.10 177.95 1cwv h SER 707 N 5.93 0.98 -3.49 4.85 4.64 -0.97 -3.44 113.55 122.04 1cwv h SER 707 Ca -0.36 -0.11 -0.20 0.00 -0.47 0.00 0.00 61.79 60.64 1cwv h SER 707 Cb 1.17 -0.25 -0.29 0.00 -0.31 0.00 0.00 62.40 62.72 1cwv h SER 707 CO 0.51 0.81 -0.51 0.28 -0.87 0.00 0.00 176.83 177.06 1cwv s THR 708 N -5.78 -0.03 0.22 2.95 -1.32 -1.26 -4.96 115.64 105.46 1cwv s THR 708 Ca -0.13 0.11 0.07 0.00 -1.21 0.00 0.00 61.69 60.53 1cwv s THR 708 Cb 0.15 -0.33 -0.08 0.00 -1.51 0.00 0.00 72.50 70.73 1cwv s THR 708 CO 0.81 0.05 1.51 -0.65 -2.21 0.00 0.00 174.62 174.13 1cwv h PRO 709 N 6.83 0.11 -5.23 7.08 0.11 -1.85 -3.45 132.00 135.61 1cwv h PRO 709 Ca -0.37 -0.09 -0.67 0.00 0.11 0.00 0.00 66.00 64.98 1cwv h PRO 709 Cb 1.16 0.02 -0.31 0.00 0.11 0.00 0.00 31.00 31.98 1cwv h PRO 709 CO 0.39 0.78 -0.83 -0.51 -0.21 0.00 0.00 178.00 177.61 1cwv s ASP 710 N -6.87 3.45 0.12 -2.05 1.01 -1.26 0.27 116.67 111.35 1cwv s ASP 710 Ca -0.02 -0.51 0.02 0.00 0.71 0.00 0.00 52.55 52.75 1cwv s ASP 710 Cb 0.12 -1.51 -0.04 0.00 1.01 0.00 0.00 42.92 42.49 1cwv s ASP 710 CO 0.79 0.10 -0.05 0.27 0.21 0.00 0.00 175.17 176.49 1cwv s ILE 711 N 0.69 0.74 0.35 0.77 -4.36 0.03 -4.96 121.20 114.45 1cwv s ILE 711 Ca -0.09 -1.96 -0.26 0.00 -0.26 0.00 0.00 60.65 58.08 1cwv s ILE 711 Cb -0.16 -1.81 -0.09 0.00 1.25 0.00 0.00 42.46 41.65 1cwv s ILE 711 CO 0.01 -0.76 1.03 -0.76 0.24 0.00 0.00 174.94 174.71 1cwv s LEU 712 N -3.09 4.31 -0.21 0.37 1.02 -1.26 -0.38 118.68 119.44 1cwv s LEU 712 Ca 0.15 2.05 -0.03 0.00 0.02 0.00 0.00 54.13 56.32 1cwv s LEU 712 Cb 0.05 -3.98 -0.02 0.00 0.02 0.00 0.00 46.19 42.26 1cwv s LEU 712 CO -0.02 -0.28 2.78 0.00 0.02 0.00 0.00 176.35 178.84 1cwv n ALA 713 N 0.45 5.78 1.10 4.21 0.00 0.05 -4.28 120.51 127.82 1cwv n ALA 713 Ca 0.02 -1.90 0.12 0.00 0.00 0.00 0.00 53.44 51.68 1cwv n ALA 713 Cb 0.48 -1.87 0.15 0.00 0.00 0.00 0.00 19.45 18.22 1cwv n ALA 713 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1cwv n ASP 714 N 1.39 1.64 -0.10 0.00 5.68 -1.21 -4.42 116.55 119.52 1cwv n ASP 714 Ca 0.36 -1.28 -0.01 0.00 -0.50 0.00 0.00 54.79 53.36 1cwv n ASP 714 Cb 0.67 0.34 -0.01 0.00 -1.14 0.00 0.00 41.12 40.98 1cwv n ASP 714 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cwv n GLY 715 N 1.39 0.50 1.34 6.12 0.00 -0.56 -4.83 105.19 109.15 1cwv n GLY 715 Ca 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1cwv n GLY 715 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1cwv n THR 716 N -2.85 0.00 -2.01 2.61 -1.04 -1.26 -4.75 114.28 104.98 1cwv n THR 716 Ca -0.01 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.58 1cwv n THR 716 Cb 0.10 -1.08 -0.03 0.00 -1.82 0.00 0.00 70.33 67.50 1cwv n THR 716 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1cwv s MET 717 N -1.99 4.26 0.27 -2.82 0.00 -1.26 -4.97 119.30 112.78 1cwv s MET 717 Ca 0.00 2.27 0.08 0.00 0.00 0.00 0.00 55.69 58.04 1cwv s MET 717 Cb 0.00 -3.17 -0.05 0.00 0.00 0.00 0.00 34.83 31.61 1cwv s MET 717 CO 0.00 -0.51 -0.10 -1.54 0.00 0.00 0.00 175.02 172.87 1cwv s SER 718 N 0.92 2.91 -0.03 1.11 1.04 -1.26 -4.54 113.70 113.85 1cwv s SER 718 Ca 0.66 -1.13 0.07 0.00 0.48 0.00 0.00 55.95 56.02 1cwv s SER 718 Cb -0.42 -0.19 -0.01 0.00 0.10 0.00 0.00 66.02 65.50 1cwv s SER 718 CO 0.34 -0.24 -0.24 -0.55 0.98 0.00 0.00 173.24 173.53 1cwv s SER 719 N -3.44 2.83 -0.07 7.02 0.15 -0.80 -4.89 113.70 114.52 1cwv s SER 719 Ca 0.28 -0.45 -0.18 0.00 0.70 0.00 0.00 55.95 56.31 1cwv s SER 719 Cb 0.02 -0.50 -0.05 0.00 -1.71 0.00 0.00 66.02 63.77 1cwv s SER 719 CO 0.11 0.27 0.47 -0.89 1.20 0.00 0.00 173.24 174.40 1cwv s THR 720 N -0.39 5.09 -0.17 6.45 2.01 -1.26 -1.64 115.64 125.74 1cwv s THR 720 Ca 0.04 0.96 -0.10 0.00 0.31 0.00 0.00 61.69 62.90 1cwv s THR 720 Cb -0.11 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 1cwv s THR 720 CO 0.01 0.41 0.17 -0.76 -0.69 0.00 0.00 174.62 173.76 1cwv s LEU 721 N 0.01 4.26 -0.23 4.42 1.43 0.22 -0.28 118.68 128.52 1cwv s LEU 721 Ca 0.26 0.34 -0.00 0.00 -1.03 0.00 0.00 54.13 53.69 1cwv s LEU 721 Cb -0.16 -2.15 0.06 0.00 0.03 0.00 0.00 46.19 43.97 1cwv s LEU 721 CO 0.12 0.21 -0.01 -0.55 0.23 0.00 0.00 176.35 176.35 1cwv s SER 722 N 0.08 3.56 -0.23 2.29 0.15 0.15 -1.62 113.70 118.09 1cwv s SER 722 Ca 0.11 -1.10 -0.08 0.00 0.70 0.00 0.00 55.95 55.58 1cwv s SER 722 Cb -0.12 -0.97 -0.04 0.00 -1.71 0.00 0.00 66.02 63.18 1cwv s SER 722 CO 0.01 -0.27 0.09 0.12 1.20 0.00 0.00 173.24 174.38 1cwv s PHE 723 N 1.55 3.19 -0.45 3.44 5.36 0.12 -0.36 117.98 130.84 1cwv s PHE 723 Ca -0.03 -0.09 0.04 0.00 -0.96 0.00 0.00 56.93 55.89 1cwv s PHE 723 Cb -0.18 -2.20 0.12 0.00 -0.34 0.00 0.00 43.02 40.42 1cwv s PHE 723 CO -0.08 -0.09 0.17 0.08 -1.46 0.00 0.00 175.22 173.85 1cwv s VAL 724 N 1.10 2.44 -0.19 3.12 1.01 -0.06 0.21 120.40 128.02 1cwv s VAL 724 Ca 0.05 -2.91 -0.26 0.00 0.00 0.00 0.00 61.98 58.85 1cwv s VAL 724 Cb -0.14 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 1cwv s VAL 724 CO 0.04 -0.72 0.90 -2.16 0.00 0.00 0.00 175.10 173.16 1cwv s PRO 725 N 0.20 4.28 0.00 2.72 0.04 -1.26 -1.14 135.00 139.85 1cwv s PRO 725 Ca 0.15 1.12 0.08 0.00 0.04 0.00 0.00 61.00 62.39 1cwv s PRO 725 Cb -0.23 -3.60 -0.02 0.00 0.04 0.00 0.00 34.50 30.68 1cwv s PRO 725 CO -0.03 -0.44 -0.25 0.08 0.04 0.00 0.00 177.00 176.39 1cwv s VAL 726 N 2.52 2.14 0.75 -0.36 1.01 -1.26 -0.62 120.40 124.59 1cwv s VAL 726 Ca 0.40 -1.19 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 1cwv s VAL 726 Cb -0.16 -1.78 0.17 0.00 0.00 0.00 0.00 36.38 34.61 1cwv s VAL 726 CO 0.10 0.50 1.03 -0.90 0.00 0.00 0.00 175.10 175.83 1cwv n ASP 727 N 2.18 0.51 0.00 3.32 5.68 0.99 -0.51 116.55 128.72 1cwv n ASP 727 Ca -0.16 -1.63 0.05 0.00 -0.50 0.00 0.00 54.79 52.54 1cwv n ASP 727 Cb 0.51 -0.75 0.24 0.00 -1.14 0.00 0.00 41.12 39.98 1cwv n ASP 727 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1cwv n LYS 728 N -3.09 0.05 0.00 0.11 2.85 -1.26 -1.72 118.16 115.10 1cwv n LYS 728 Ca 0.14 0.28 0.11 0.00 -1.05 0.00 0.00 58.31 57.79 1cwv n LYS 728 Cb 0.50 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.35 1cwv n LYS 728 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1cwv n ASN 729 N -1.44 1.84 0.00 -5.58 3.02 -1.26 -4.94 115.26 106.91 1cwv n ASN 729 Ca 0.03 -1.42 0.00 0.00 -0.03 0.00 0.00 54.58 53.16 1cwv n ASN 729 Cb 0.11 0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.86 1cwv n ASN 729 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cwv n GLY 730 N 1.43 0.85 3.78 7.41 0.00 -0.70 -5.07 105.19 112.89 1cwv n GLY 730 Ca 0.08 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1cwv n GLY 730 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1cwv s HIS 731 N -2.00 3.77 0.26 1.61 3.76 -1.26 -4.79 115.29 116.64 1cwv s HIS 731 Ca 0.00 1.36 -0.30 0.00 -0.15 0.00 0.00 55.06 55.97 1cwv s HIS 731 Cb 0.00 -2.65 -0.09 0.00 1.11 0.00 0.00 32.58 30.95 1cwv s HIS 731 CO 0.00 0.44 1.12 0.12 -0.85 0.00 0.00 174.74 175.56 1cwv s PHE 732 N -0.61 3.55 -0.33 1.40 5.36 -1.26 -0.00 117.98 126.08 1cwv s PHE 732 Ca 0.33 1.65 -0.14 0.00 -0.96 0.00 0.00 56.93 57.81 1cwv s PHE 732 Cb -0.20 -3.31 -0.02 0.00 -0.34 0.00 0.00 43.02 39.15 1cwv s PHE 732 CO 0.21 -0.67 0.30 0.42 -1.46 0.00 0.00 175.22 174.01 1cwv s ILE 733 N -0.92 5.23 0.49 3.12 1.01 0.21 -4.75 121.20 125.59 1cwv s ILE 733 Ca 0.46 -0.02 0.07 0.00 0.00 0.00 0.00 60.65 61.17 1cwv s ILE 733 Cb -0.32 -3.74 0.04 0.00 0.01 0.00 0.00 42.46 38.45 1cwv s ILE 733 CO 0.40 -0.01 0.68 -0.55 0.00 0.00 0.00 174.94 175.46 1cwv s SER 734 N 1.73 5.39 -1.68 3.58 0.15 -1.26 -4.58 113.70 117.02 1cwv s SER 734 Ca 0.09 -0.47 -0.17 0.00 0.70 0.00 0.00 55.95 56.10 1cwv s SER 734 Cb -0.17 -0.41 0.15 0.00 -1.71 0.00 0.00 66.02 63.88 1cwv s SER 734 CO 0.11 -1.02 0.77 0.61 1.20 0.00 0.00 173.24 174.91 1cwv n GLY 735 N -2.07 -0.43 3.72 9.45 0.00 -1.26 -4.88 105.19 109.72 1cwv n GLY 735 Ca 0.10 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1cwv n GLY 735 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1cwv s MET 736 N -6.91 4.34 0.15 1.61 1.75 -1.26 -5.03 119.30 113.96 1cwv s MET 736 Ca 0.70 2.04 0.08 0.00 -1.25 0.00 0.00 55.69 57.25 1cwv s MET 736 Cb -0.38 -3.25 -0.04 0.00 2.84 0.00 0.00 34.83 34.00 1cwv s MET 736 CO 0.92 -0.40 -0.05 -0.65 -0.65 0.00 0.00 175.02 174.20 1cwv s GLN 737 N 0.96 2.24 -1.08 4.11 -1.52 -1.26 -4.66 119.66 118.45 1cwv s GLN 737 Ca 0.63 -1.12 -0.05 0.00 -1.95 0.00 0.00 55.36 52.87 1cwv s GLN 737 Cb -0.36 -2.30 0.01 0.00 -0.22 0.00 0.00 33.01 30.14 1cwv s GLN 737 CO 0.31 0.47 0.62 0.41 -0.25 0.00 0.00 175.29 176.84 1cwv n GLY 738 N 0.17 -0.18 3.67 3.09 0.00 -1.26 -4.71 105.19 105.97 1cwv n GLY 738 Ca -0.11 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 1cwv n GLY 738 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1cwv s LEU 739 N -5.26 3.80 0.20 0.99 2.96 -1.26 -0.10 118.68 120.01 1cwv s LEU 739 Ca 0.31 0.14 -0.09 0.00 -0.22 0.00 0.00 54.13 54.26 1cwv s LEU 739 Cb -0.13 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 1cwv s LEU 739 CO 0.38 0.26 0.34 -0.94 -1.32 0.00 0.00 176.35 175.07 1cwv s SER 740 N -0.17 -0.00 -0.28 3.68 1.04 0.40 -5.00 113.70 113.37 1cwv s SER 740 Ca 0.07 -0.96 0.02 0.00 0.48 0.00 0.00 55.95 55.57 1cwv s SER 740 Cb -0.12 0.49 0.06 0.00 0.10 0.00 0.00 66.02 66.55 1cwv s SER 740 CO 0.01 -0.98 -0.07 -0.36 0.98 0.00 0.00 173.24 172.82 1cwv s PHE 741 N -4.01 3.34 0.57 5.02 0.08 -1.26 -0.44 117.98 121.28 1cwv s PHE 741 Ca 0.22 -2.36 -0.15 0.00 0.12 0.00 0.00 56.93 54.77 1cwv s PHE 741 Cb 0.02 -2.11 -0.06 0.00 -0.57 0.00 0.00 43.02 40.30 1cwv s PHE 741 CO 0.05 -0.88 1.01 0.95 -0.10 0.00 0.00 175.22 176.25 1cwv s THR 742 N 1.10 4.45 -0.03 0.64 -4.23 -0.48 -4.86 115.64 112.23 1cwv s THR 742 Ca -0.06 1.04 0.01 0.00 -1.18 0.00 0.00 61.69 61.51 1cwv s THR 742 Cb -0.20 -3.69 0.01 0.00 1.34 0.00 0.00 72.50 69.96 1cwv s THR 742 CO -0.05 -0.80 -0.05 0.00 -0.54 0.00 0.00 174.62 173.18 1cwv s GLN 743 N -4.43 0.64 -0.19 3.99 -2.07 -1.26 -1.73 119.66 114.61 1cwv s GLN 743 Ca 0.58 -0.14 -0.00 0.00 -1.82 0.00 0.00 55.36 53.98 1cwv s GLN 743 Cb -0.11 -0.65 0.05 0.00 -1.09 0.00 0.00 33.01 31.21 1cwv s GLN 743 CO 0.40 0.01 -0.05 -0.80 -1.32 0.00 0.00 175.29 173.53 1cwv s ASN 744 N 0.47 3.17 0.00 12.60 0.01 -0.28 -4.96 114.94 125.95 1cwv s ASN 744 Ca -0.06 -0.84 0.00 0.00 -0.71 0.00 0.00 52.86 51.25 1cwv s ASN 744 Cb -0.09 -0.98 0.00 0.00 0.41 0.00 0.00 41.25 40.58 1cwv s ASN 744 CO -0.00 -0.21 0.00 0.61 -1.51 0.00 0.00 177.10 175.99 1cwv n GLY 745 N 4.82 0.36 3.77 0.66 0.00 -1.26 -1.05 105.19 112.49 1cwv n GLY 745 Ca -0.12 -1.21 -0.38 0.00 0.00 0.00 0.00 46.02 44.32 1cwv n GLY 745 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cwv s VAL 746 N -4.00 2.92 0.31 1.61 0.11 0.23 -4.93 120.40 116.66 1cwv s VAL 746 Ca 0.00 0.71 -0.30 0.00 -2.93 0.00 0.00 61.98 59.46 1cwv s VAL 746 Cb 0.00 -3.37 -0.11 0.00 -1.53 0.00 0.00 36.38 31.37 1cwv s VAL 746 CO 0.00 0.01 1.59 -0.81 -3.33 0.00 0.00 175.10 172.56 1cwv n PRO 747 N -0.47 2.75 -4.06 1.54 -0.04 -1.26 -4.82 135.00 128.63 1cwv n PRO 747 Ca 0.07 0.97 -0.07 0.00 -0.04 0.00 0.00 63.50 64.43 1cwv n PRO 747 Cb 0.47 -2.76 -0.10 0.00 -0.04 0.00 0.00 33.50 31.07 1cwv n PRO 747 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1cwv s VAL 748 N -0.20 0.20 -0.30 0.52 0.11 -1.26 -4.56 120.40 114.91 1cwv s VAL 748 Ca 0.62 -1.64 -0.09 0.00 -2.93 0.00 0.00 61.98 57.94 1cwv s VAL 748 Cb -0.48 -1.32 -0.01 0.00 -1.53 0.00 0.00 36.38 33.04 1cwv s VAL 748 CO 0.51 -0.91 0.13 -0.44 -3.33 0.00 0.00 175.10 171.07 1cwv s SER 749 N -2.69 5.46 -0.22 3.54 0.01 -0.11 -5.00 113.70 114.70 1cwv s SER 749 Ca 0.03 -0.48 -0.06 0.00 1.31 0.00 0.00 55.95 56.75 1cwv s SER 749 Cb 0.05 -1.98 -0.03 0.00 0.21 0.00 0.00 66.02 64.27 1cwv s SER 749 CO -0.09 -0.17 0.04 -0.63 0.41 0.00 0.00 173.24 172.81 1cwv s ILE 750 N 1.61 4.19 1.04 1.44 1.01 -1.26 -2.13 121.20 127.10 1cwv s ILE 750 Ca 0.05 -0.22 -0.12 0.00 0.00 0.00 0.00 60.65 60.36 1cwv s ILE 750 Cb -0.17 -2.93 0.21 0.00 0.01 0.00 0.00 42.46 39.59 1cwv s ILE 750 CO 0.06 0.39 1.07 -0.94 0.00 0.00 0.00 174.94 175.51 1cwv s SER 751 N 1.26 2.09 0.71 3.58 1.04 -0.03 -4.95 113.70 117.41 1cwv s SER 751 Ca 0.04 1.59 -0.15 0.00 0.48 0.00 0.00 55.95 57.92 1cwv s SER 751 Cb -0.15 -2.27 0.03 0.00 0.10 0.00 0.00 66.02 63.73 1cwv s SER 751 CO 0.02 -3.52 1.17 -2.84 0.98 0.00 0.00 173.24 169.06 1cwv s PRO 752 N -4.67 2.35 0.17 4.02 0.02 -1.26 -4.64 135.00 130.99 1cwv s PRO 752 Ca 0.67 1.64 -0.18 0.00 0.02 0.00 0.00 61.00 63.14 1cwv s PRO 752 Cb -0.22 -1.87 -0.07 0.00 0.02 0.00 0.00 34.50 32.35 1cwv s PRO 752 CO 0.61 -1.65 0.64 -1.50 -0.33 0.00 0.00 177.00 174.77 1cwv s ILE 753 N -2.10 4.70 -0.14 2.83 2.07 -1.26 -4.68 121.20 122.62 1cwv s ILE 753 Ca 0.72 1.12 0.02 0.00 -1.41 0.00 0.00 60.65 61.10 1cwv s ILE 753 Cb -0.26 -3.83 0.00 0.00 0.13 0.00 0.00 42.46 38.50 1cwv s ILE 753 CO 0.44 0.29 -0.20 -0.89 -1.91 0.00 0.00 174.94 172.67 1cwv s THR 754 N -1.42 2.29 0.20 4.00 2.01 0.29 -4.97 115.64 118.04 1cwv s THR 754 Ca 0.38 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 61.18 1cwv s THR 754 Cb -0.17 -1.93 -0.08 0.00 0.01 0.00 0.00 72.50 70.33 1cwv s THR 754 CO 0.20 0.54 0.99 -0.70 -0.69 0.00 0.00 174.62 174.96 1cwv s GLU 755 N 0.74 4.74 0.48 4.92 2.12 -1.26 -1.22 118.70 129.22 1cwv s GLU 755 Ca -0.08 1.56 0.01 0.00 0.36 0.00 0.00 54.97 56.82 1cwv s GLU 755 Cb -0.16 -3.29 0.01 0.00 0.26 0.00 0.00 34.13 30.95 1cwv s GLU 755 CO 0.00 0.32 0.11 1.04 -0.54 0.00 0.00 175.26 176.20 1cwv n GLN 756 N 1.95 0.83 0.17 4.30 1.13 0.17 -4.95 117.38 120.98 1cwv n GLN 756 Ca 0.00 -3.35 0.13 0.00 -1.94 0.00 0.00 57.00 51.84 1cwv n GLN 756 Cb 0.47 0.75 0.33 0.00 0.11 0.00 0.00 30.24 31.90 1cwv n GLN 756 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1cwv h PRO 757 N 0.00 0.00 0.00 -1.09 0.14 -2.02 -3.35 132.00 125.68 1cwv h PRO 757 Ca -0.37 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.77 1cwv h PRO 757 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.32 1cwv h PRO 757 CO 0.61 0.00 -0.01 -0.40 0.14 0.00 0.00 178.00 178.34 1cwv n ASP 758 N -2.71 0.47 -3.57 1.44 5.75 -1.26 -5.02 116.55 111.66 1cwv n ASP 758 Ca 0.04 -1.25 -0.01 0.00 -0.01 0.00 0.00 54.79 53.56 1cwv n ASP 758 Cb 0.45 -0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.54 1cwv n ASP 758 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1cwv s SER 759 N -0.26 -0.04 -0.11 -1.12 1.04 -1.26 -4.81 113.70 107.15 1cwv s SER 759 Ca 0.00 -0.44 -0.00 0.00 0.48 0.00 0.00 55.95 55.98 1cwv s SER 759 Cb 0.00 0.37 0.02 0.00 0.10 0.00 0.00 66.02 66.52 1cwv s SER 759 CO 0.00 -0.72 -0.07 -0.31 0.98 0.00 0.00 173.24 173.11 1cwv s TYR 760 N -2.39 1.46 0.40 5.02 1.51 0.13 0.43 117.35 123.91 1cwv s TYR 760 Ca 0.20 -0.72 0.08 0.00 -1.01 0.00 0.00 57.07 55.62 1cwv s TYR 760 Cb -0.01 -1.22 -0.05 0.00 -0.11 0.00 0.00 41.96 40.57 1cwv s TYR 760 CO 0.02 -0.51 0.18 0.95 -1.11 0.00 0.00 175.55 175.08 1cwv s THR 761 N 1.72 2.41 -0.10 -0.71 -4.23 -0.35 0.14 115.64 114.52 1cwv s THR 761 Ca 0.05 -1.69 -0.32 0.00 -1.18 0.00 0.00 61.69 58.55 1cwv s THR 761 Cb -0.13 -2.99 0.12 0.00 1.34 0.00 0.00 72.50 70.85 1cwv s THR 761 CO -0.08 -0.03 1.15 0.00 -0.54 0.00 0.00 174.62 175.12 1cwv s ALA 762 N -2.57 -2.03 0.26 3.99 0.00 -0.64 -0.55 121.76 120.22 1cwv s ALA 762 Ca 0.41 1.20 0.11 0.00 0.00 0.00 0.00 51.96 53.68 1cwv s ALA 762 Cb 0.03 0.13 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 1cwv s ALA 762 CO 0.23 -0.74 -0.18 0.95 0.00 0.00 0.00 175.76 176.02 1cwv s THR 763 N -2.61 2.27 -0.01 0.00 -4.23 -1.26 0.73 115.64 110.54 1cwv s THR 763 Ca 0.10 -2.35 0.00 0.00 -1.18 0.00 0.00 61.69 58.26 1cwv s THR 763 Cb 0.00 -2.24 0.01 0.00 1.34 0.00 0.00 72.50 71.61 1cwv s THR 763 CO -0.05 -0.45 -0.00 0.54 -0.54 0.00 0.00 174.62 174.12 1cwv s VAL 764 N -2.64 0.05 0.27 2.29 0.11 -0.65 -0.85 120.40 118.98 1cwv s VAL 764 Ca 0.28 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.36 1cwv s VAL 764 Cb -0.04 -0.08 -0.04 0.00 -1.53 0.00 0.00 36.38 34.69 1cwv s VAL 764 CO 0.13 0.04 0.13 0.68 -3.33 0.00 0.00 175.10 172.74 1cwv s VAL 765 N 0.21 0.38 -0.04 2.04 -7.23 -0.91 -1.90 120.40 112.95 1cwv s VAL 765 Ca -0.02 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.86 1cwv s VAL 765 Cb -0.03 -2.56 0.10 0.00 0.56 0.00 0.00 36.38 34.44 1cwv s VAL 765 CO -0.01 0.00 0.82 -0.83 -0.31 0.00 0.00 175.10 174.77 1cwv s GLY 766 N -3.32 -0.46 -0.04 2.32 0.00 -1.26 -0.93 107.32 103.63 1cwv s GLY 766 Ca 0.37 1.33 0.08 0.00 0.00 0.00 0.00 44.72 46.51 1cwv s GLY 766 CO 0.15 0.70 1.17 0.70 0.00 0.00 0.00 173.10 175.82 1cwv n ASN 767 N 0.35 2.65 -4.01 1.64 3.02 -1.26 -1.49 115.26 116.17 1cwv n ASN 767 Ca -0.13 -2.25 -0.24 0.00 -0.03 0.00 0.00 54.58 51.93 1cwv n ASN 767 Cb 0.60 -0.21 -0.17 0.00 -0.61 0.00 0.00 39.78 39.39 1cwv n ASN 767 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1cwv s SER 768 N -1.32 1.66 0.25 6.41 0.01 -1.26 -4.92 113.70 114.52 1cwv s SER 768 Ca 0.18 -0.28 -0.30 0.00 1.31 0.00 0.00 55.95 56.87 1cwv s SER 768 Cb 0.12 -0.77 -0.10 0.00 0.21 0.00 0.00 66.02 65.48 1cwv s SER 768 CO 0.08 0.02 1.41 -0.69 0.41 0.00 0.00 173.24 174.47 1cwv s VAL 769 N 0.69 2.74 -5.00 3.43 1.01 -1.26 -4.78 120.40 117.23 1cwv s VAL 769 Ca -0.14 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1cwv s VAL 769 Cb -0.16 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1cwv s VAL 769 CO 0.03 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.85 1cwv n GLY 770 N 2.09 0.21 3.91 4.51 0.00 -0.69 -4.96 105.19 110.25 1cwv n GLY 770 Ca 0.06 -1.72 -0.21 0.00 0.00 0.00 0.00 46.02 44.15 1cwv n GLY 770 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cwv s ASP 771 N -3.16 5.87 -0.27 1.61 1.01 -1.26 -0.62 116.67 119.85 1cwv s ASP 771 Ca 0.00 -0.15 -0.20 0.00 0.71 0.00 0.00 52.55 52.92 1cwv s ASP 771 Cb 0.00 -1.50 0.07 0.00 1.01 0.00 0.00 42.92 42.50 1cwv s ASP 771 CO 0.00 -0.15 0.69 0.54 0.21 0.00 0.00 175.17 176.46 1cwv s VAL 772 N -2.10 -0.00 -0.18 -1.27 0.11 -0.67 -0.60 120.40 115.69 1cwv s VAL 772 Ca 0.36 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.38 1cwv s VAL 772 Cb -0.08 -0.98 -0.02 0.00 -1.53 0.00 0.00 36.38 33.76 1cwv s VAL 772 CO 0.28 0.00 -0.04 0.42 -3.33 0.00 0.00 175.10 172.43 1cwv s THR 773 N 1.06 3.70 -0.15 5.04 -4.23 -0.21 -0.69 115.64 120.16 1cwv s THR 773 Ca -0.05 -0.41 -0.05 0.00 -1.18 0.00 0.00 61.69 60.00 1cwv s THR 773 Cb -0.05 -2.64 -0.03 0.00 1.34 0.00 0.00 72.50 71.11 1cwv s THR 773 CO -0.10 0.47 0.02 -0.63 -0.54 0.00 0.00 174.62 173.83 1cwv s ILE 774 N 0.75 4.40 -0.01 2.99 -1.09 0.59 -1.12 121.20 127.70 1cwv s ILE 774 Ca -0.02 -0.18 0.01 0.00 -2.23 0.00 0.00 60.65 58.23 1cwv s ILE 774 Cb -0.15 -2.93 0.00 0.00 -1.58 0.00 0.00 42.46 37.80 1cwv s ILE 774 CO 0.02 0.51 -0.04 0.42 -1.23 0.00 0.00 174.94 174.61 1cwv s THR 775 N 0.07 0.39 0.27 2.92 -4.23 -0.70 -0.97 115.64 113.40 1cwv s THR 775 Ca 0.03 -0.16 -0.29 0.00 -1.18 0.00 0.00 61.69 60.08 1cwv s THR 775 Cb -0.13 -0.36 -0.10 0.00 1.34 0.00 0.00 72.50 73.26 1cwv s THR 775 CO 0.02 0.13 1.21 -2.16 -0.54 0.00 0.00 174.62 173.28 1cwv s PRO 776 N 0.17 4.49 -0.07 3.99 0.04 -1.26 -1.38 135.00 140.98 1cwv s PRO 776 Ca -0.02 1.99 -0.00 0.00 0.04 0.00 0.00 61.00 63.01 1cwv s PRO 776 Cb -0.05 -3.15 0.02 0.00 0.04 0.00 0.00 34.50 31.36 1cwv s PRO 776 CO -0.00 -0.03 -0.04 -1.14 0.04 0.00 0.00 177.00 175.83 1cwv s GLN 777 N -1.24 0.96 -0.72 4.56 0.74 0.42 -1.60 119.66 122.78 1cwv s GLN 777 Ca 0.49 -0.08 -0.02 0.00 0.05 0.00 0.00 55.36 55.80 1cwv s GLN 777 Cb -0.35 -1.10 0.18 0.00 1.10 0.00 0.00 33.01 32.84 1cwv s GLN 777 CO 0.44 -0.20 0.55 0.08 -0.55 0.00 0.00 175.29 175.61 1cwv s VAL 778 N 1.49 3.90 0.00 1.34 1.01 0.70 -0.45 120.40 128.39 1cwv s VAL 778 Ca -0.01 -3.31 0.00 0.00 0.00 0.00 0.00 61.98 58.65 1cwv s VAL 778 Cb -0.13 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.75 1cwv s VAL 778 CO -0.04 -0.95 0.00 0.47 0.00 0.00 0.00 175.10 174.58 1cwv n ASP 779 N 3.04 -1.44 0.00 3.32 9.92 0.85 -2.56 116.55 129.68 1cwv n ASP 779 Ca 0.13 0.31 0.00 0.00 -0.53 0.00 0.00 54.79 54.70 1cwv n ASP 779 Cb 0.37 -0.48 0.00 0.00 -0.64 0.00 0.00 41.12 40.37 1cwv n ASP 779 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1cwv n THR 780 N 1.55 0.00 -3.87 -3.53 5.66 -1.26 -4.98 114.28 107.85 1cwv n THR 780 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 1cwv n THR 780 Cb 0.00 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 68.66 1cwv n THR 780 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1cwv s LEU 781 N 0.00 3.46 -0.33 1.09 2.96 -1.06 -5.06 118.68 119.74 1cwv s LEU 781 Ca 0.00 -0.16 -0.00 0.00 -0.22 0.00 0.00 54.13 53.75 1cwv s LEU 781 Cb 0.00 -1.91 0.08 0.00 0.50 0.00 0.00 46.19 44.86 1cwv s LEU 781 CO 0.00 0.02 0.05 -0.63 -1.32 0.00 0.00 176.35 174.47 1cwv s ILE 782 N 1.28 2.85 -1.13 6.68 1.01 -1.26 -0.22 121.20 130.41 1cwv s ILE 782 Ca 0.05 -1.77 -0.11 0.00 0.00 0.00 0.00 60.65 58.82 1cwv s ILE 782 Cb -0.15 -2.81 -0.07 0.00 0.01 0.00 0.00 42.46 39.45 1cwv s ILE 782 CO 0.03 -0.34 2.29 0.18 0.00 0.00 0.00 174.94 177.10 1cwv n LEU 783 N 4.53 5.95 -0.26 2.97 4.77 -0.63 -4.74 117.00 129.59 1cwv n LEU 783 Ca -0.07 -3.42 0.25 0.00 -0.03 0.00 0.00 56.01 52.74 1cwv n LEU 783 Cb 0.42 -1.29 0.61 0.00 -2.33 0.00 0.00 43.42 40.83 1cwv n LEU 783 CO 0.27 0.83 1.25 0.77 -1.33 0.00 0.00 177.39 179.18 1cwv h SER 784 N 6.29 0.24 0.14 -1.43 4.64 -1.95 0.18 113.55 121.66 1cwv h SER 784 Ca 0.58 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 1cwv h SER 784 Cb 0.36 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1cwv h SER 784 CO 1.70 0.07 0.00 0.35 -0.87 0.00 0.00 176.83 178.08 1cwv n THR 785 N -4.43 0.36 0.64 2.95 -2.24 -1.26 -1.87 114.28 108.42 1cwv n THR 785 Ca 0.22 0.09 0.07 0.00 -2.27 0.00 0.00 64.05 62.15 1cwv n THR 785 Cb 0.91 -0.87 -0.08 0.00 -2.10 0.00 0.00 70.33 68.19 1cwv n THR 785 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1cwv n LEU 786 N -1.16 0.64 -4.51 3.22 4.77 0.63 -5.03 117.00 115.56 1cwv n LEU 786 Ca 0.08 -0.47 -0.48 0.00 -0.03 0.00 0.00 56.01 55.11 1cwv n LEU 786 Cb 0.08 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1cwv n LEU 786 CO 0.09 0.16 0.41 0.00 -1.33 0.00 0.00 177.39 176.72 1cwv n GLN 787 N -1.37 0.72 -4.41 3.23 10.64 -0.78 -4.69 117.38 120.72 1cwv n GLN 787 Ca 0.02 0.25 -0.23 0.00 -1.83 0.00 0.00 57.00 55.22 1cwv n GLN 787 Cb 0.23 -1.54 -0.13 0.00 -0.86 0.00 0.00 30.24 27.94 1cwv n GLN 787 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 1cwv s LYS 788 N -0.93 1.13 0.03 2.61 -0.14 -0.14 -4.94 119.74 117.36 1cwv s LYS 788 Ca 0.67 -0.97 -0.03 0.00 -1.36 0.00 0.00 55.97 54.29 1cwv s LYS 788 Cb -0.87 -1.25 -0.04 0.00 -1.68 0.00 0.00 37.83 33.99 1cwv s LYS 788 CO 0.56 0.30 0.22 0.21 -0.76 0.00 0.00 175.35 175.89 1cwv s LYS 789 N -1.46 3.47 -0.03 1.68 2.20 -1.26 -0.30 119.74 124.04 1cwv s LYS 789 Ca 0.05 -0.31 0.02 0.00 -0.36 0.00 0.00 55.97 55.37 1cwv s LYS 789 Cb -0.09 -3.05 0.01 0.00 -1.51 0.00 0.00 37.83 33.19 1cwv s LYS 789 CO 0.02 0.63 -0.06 0.42 -0.36 0.00 0.00 175.35 176.01 1cwv s ILE 790 N -1.41 0.57 -0.17 5.43 1.01 0.14 -4.73 121.20 122.03 1cwv s ILE 790 Ca 0.31 -0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.73 1cwv s ILE 790 Cb -0.13 -0.54 -0.01 0.00 0.01 0.00 0.00 42.46 41.79 1cwv s ILE 790 CO 0.22 0.20 -0.10 -0.44 0.00 0.00 0.00 174.94 174.82 1cwv s SER 791 N 0.44 4.01 -0.30 3.58 0.01 0.14 -1.68 113.70 119.90 1cwv s SER 791 Ca -0.06 -0.40 -0.11 0.00 1.31 0.00 0.00 55.95 56.69 1cwv s SER 791 Cb -0.10 -1.65 -0.03 0.00 0.21 0.00 0.00 66.02 64.45 1cwv s SER 791 CO 0.00 0.07 0.20 -0.76 0.41 0.00 0.00 173.24 173.16 1cwv s LEU 792 N 0.94 4.20 0.36 2.44 1.02 0.21 -0.79 118.68 127.05 1cwv s LEU 792 Ca -0.02 -0.22 0.02 0.00 0.02 0.00 0.00 54.13 53.93 1cwv s LEU 792 Cb -0.15 -2.11 -0.02 0.00 0.02 0.00 0.00 46.19 43.94 1cwv s LEU 792 CO -0.01 -0.13 0.54 -0.36 0.02 0.00 0.00 176.35 176.41 1cwv s PHE 793 N 1.73 3.33 0.38 0.29 0.40 0.49 -1.71 117.98 122.89 1cwv s PHE 793 Ca 0.06 0.14 -0.25 0.00 -0.60 0.00 0.00 56.93 56.28 1cwv s PHE 793 Cb -0.17 -2.00 -0.09 0.00 0.51 0.00 0.00 43.02 41.28 1cwv s PHE 793 CO 0.10 -0.01 1.12 -1.25 0.70 0.00 0.00 175.22 175.88 1cwv s PRO 794 N -4.31 4.17 0.04 0.24 0.05 -1.26 -0.77 135.00 133.15 1cwv s PRO 794 Ca 0.43 1.72 -0.30 0.00 0.05 0.00 0.00 61.00 62.89 1cwv s PRO 794 Cb -0.10 -2.70 -0.06 0.00 0.05 0.00 0.00 34.50 31.69 1cwv s PRO 794 CO 0.34 -0.18 1.36 0.08 0.05 0.00 0.00 177.00 178.65 1cwv s VAL 795 N -1.46 3.68 0.31 -0.36 1.01 -1.26 -4.82 120.40 117.50 1cwv s VAL 795 Ca 0.56 1.13 -0.28 0.00 0.00 0.00 0.00 61.98 63.39 1cwv s VAL 795 Cb -0.28 -3.73 -0.13 0.00 0.00 0.00 0.00 36.38 32.24 1cwv s VAL 795 CO 0.35 0.04 1.12 -2.65 0.00 0.00 0.00 175.10 173.95 1cwv n PRO 796 N 4.76 1.65 -3.74 2.72 -0.02 -1.26 -4.98 135.00 134.13 1cwv n PRO 796 Ca 0.12 0.58 -0.13 0.00 -2.02 0.00 0.00 63.50 62.05 1cwv n PRO 796 Cb 0.44 -2.03 -0.11 0.00 -0.02 0.00 0.00 33.50 31.78 1cwv n PRO 796 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1cwv s THR 797 N -1.06 -0.01 -0.56 3.45 -1.32 -1.26 -4.97 115.64 109.92 1cwv s THR 797 Ca 0.58 0.02 -0.28 0.00 -1.21 0.00 0.00 61.69 60.79 1cwv s THR 797 Cb -0.65 -0.53 0.03 0.00 -1.51 0.00 0.00 72.50 69.84 1cwv s THR 797 CO 0.61 0.01 1.17 -0.22 -2.21 0.00 0.00 174.62 173.98 1cwv s LEU 798 N 0.40 3.51 0.00 9.08 2.96 -1.26 0.34 118.68 133.72 1cwv s LEU 798 Ca -0.02 0.18 0.24 0.00 -0.22 0.00 0.00 54.13 54.31 1cwv s LEU 798 Cb -0.04 -3.25 0.37 0.00 0.50 0.00 0.00 46.19 43.77 1cwv s LEU 798 CO -0.02 -1.42 1.32 0.35 -1.32 0.00 0.00 176.35 175.26 1cwv n THR 799 N 6.70 0.00 0.00 3.68 -2.24 0.52 -4.93 114.28 118.02 1cwv n THR 799 Ca 0.09 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1cwv n THR 799 Cb 0.49 0.74 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 1cwv n THR 799 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cwv n GLY 800 N 1.40 1.77 3.09 3.38 0.00 -1.19 -4.89 105.19 108.75 1cwv n GLY 800 Ca 0.10 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 1cwv n GLY 800 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cwv s ILE 801 N -2.00 2.05 -0.34 -0.61 1.01 -0.52 -0.31 121.20 120.48 1cwv s ILE 801 Ca 0.00 -1.17 -0.19 0.00 0.00 0.00 0.00 60.65 59.29 1cwv s ILE 801 Cb 0.00 -1.98 -0.00 0.00 0.01 0.00 0.00 42.46 40.49 1cwv s ILE 801 CO 0.00 0.32 0.56 -0.76 0.00 0.00 0.00 174.94 175.06 1cwv s LEU 802 N 1.24 4.28 -0.19 2.97 1.43 -0.49 -0.57 118.68 127.35 1cwv s LEU 802 Ca -0.00 0.10 -0.01 0.00 -1.03 0.00 0.00 54.13 53.19 1cwv s LEU 802 Cb -0.16 -2.67 0.05 0.00 0.03 0.00 0.00 46.19 43.44 1cwv s LEU 802 CO -0.10 -0.50 -0.03 -0.69 0.23 0.00 0.00 176.35 175.25 1cwv s VAL 803 N 2.50 1.08 -0.88 -1.59 1.01 -0.51 -1.04 120.40 120.97 1cwv s VAL 803 Ca 0.21 -0.74 -0.22 0.00 0.00 0.00 0.00 61.98 61.23 1cwv s VAL 803 Cb -0.15 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 34.92 1cwv s VAL 803 CO 0.13 0.01 0.52 -3.20 0.00 0.00 0.00 175.10 172.56 1cwv n ASN 804 N 4.87 -3.30 0.00 3.32 5.15 -1.26 0.17 115.26 124.20 1cwv n ASN 804 Ca -0.11 -0.97 0.00 0.00 -0.60 0.00 0.00 54.58 52.90 1cwv n ASN 804 Cb 0.47 -1.23 0.00 0.00 -0.53 0.00 0.00 39.78 38.48 1cwv n ASN 804 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1cwv n GLY 805 N -1.76 3.20 4.02 8.20 0.00 -1.26 -4.97 105.19 112.62 1cwv n GLY 805 Ca -0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 1cwv n GLY 805 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1cwv s GLN 806 N -0.42 2.41 -0.31 1.61 -1.52 0.13 -5.09 119.66 116.47 1cwv s GLN 806 Ca 0.00 -1.40 -0.01 0.00 -1.95 0.00 0.00 55.36 52.00 1cwv s GLN 806 Cb 0.00 -2.64 0.13 0.00 -0.22 0.00 0.00 33.01 30.28 1cwv s GLN 806 CO 0.00 -0.74 0.24 1.21 -0.25 0.00 0.00 175.29 175.75 1cwv s ASN 807 N -4.56 2.41 0.43 5.90 3.84 -1.25 -1.42 114.94 120.28 1cwv s ASN 807 Ca 0.60 -1.26 -0.04 0.00 0.21 0.00 0.00 52.86 52.37 1cwv s ASN 807 Cb -0.07 0.10 -0.04 0.00 -0.55 0.00 0.00 41.25 40.69 1cwv s ASN 807 CO 0.38 -0.38 0.70 -0.36 -2.79 0.00 0.00 177.10 174.66 1cwv s PHE 808 N 1.95 3.54 0.59 0.43 2.99 0.26 -4.82 117.98 122.93 1cwv s PHE 808 Ca 0.12 0.68 -0.14 0.00 0.00 0.00 0.00 56.93 57.59 1cwv s PHE 808 Cb -0.16 -2.18 -0.04 0.00 0.00 0.00 0.00 43.02 40.64 1cwv s PHE 808 CO -0.25 -0.13 1.03 0.00 -0.00 0.00 0.00 175.22 175.87 1cwv s ALA 809 N -2.57 2.92 -0.97 5.36 0.00 -1.26 -1.44 121.76 123.80 1cwv s ALA 809 Ca 0.45 0.15 0.27 0.00 0.00 0.00 0.00 51.96 52.84 1cwv s ALA 809 Cb -0.10 -3.15 0.92 0.00 0.00 0.00 0.00 23.12 20.79 1cwv s ALA 809 CO 0.41 -0.68 1.71 0.25 0.00 0.00 0.00 175.76 177.45 1cwv n THR 810 N -2.28 0.05 -1.32 0.00 -2.24 -1.26 -4.03 114.28 103.20 1cwv n THR 810 Ca 0.07 -0.03 -0.23 0.00 -2.27 0.00 0.00 64.05 61.59 1cwv n THR 810 Cb 0.54 -0.23 0.16 0.00 -2.10 0.00 0.00 70.33 68.70 1cwv n THR 810 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1cwv n ASP 811 N -1.57 4.36 -0.00 3.42 5.68 -1.26 -4.47 116.55 122.71 1cwv n ASP 811 Ca 0.06 -3.69 0.06 0.00 -0.50 0.00 0.00 54.79 50.72 1cwv n ASP 811 Cb 0.35 -0.81 -0.07 0.00 -1.14 0.00 0.00 41.12 39.44 1cwv n ASP 811 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1cwv n LYS 812 N -1.08 2.67 -0.31 0.11 4.76 -1.26 -5.00 118.16 118.05 1cwv n LYS 812 Ca 0.55 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.98 1cwv n LYS 812 Cb 1.33 -1.10 0.00 0.00 -1.84 0.00 0.00 35.03 33.42 1cwv n LYS 812 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1cwv n GLY 813 N 1.34 0.72 3.75 0.72 0.00 -1.26 -4.93 105.19 105.54 1cwv n GLY 813 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1cwv n GLY 813 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1cwv n PHE 814 N -2.11 2.78 -4.19 1.61 7.35 -1.26 -4.13 117.46 117.51 1cwv n PHE 814 Ca 0.00 0.44 -0.32 0.00 -0.76 0.00 0.00 57.45 56.81 1cwv n PHE 814 Cb 0.00 -2.51 -0.08 0.00 0.35 0.00 0.00 39.48 37.24 1cwv n PHE 814 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 1cwv s PRO 815 N -1.76 2.80 0.13 -7.13 0.04 -1.26 -4.78 135.00 123.04 1cwv s PRO 815 Ca 0.56 -0.65 0.18 0.00 0.04 0.00 0.00 61.00 61.13 1cwv s PRO 815 Cb -0.51 -2.68 -0.07 0.00 0.04 0.00 0.00 34.50 31.29 1cwv s PRO 815 CO 0.61 0.60 0.97 0.87 0.04 0.00 0.00 177.00 180.08 1cwv h LYS 816 N 3.96 0.00 -6.62 4.56 1.79 -1.83 -3.35 116.57 115.09 1cwv h LYS 816 Ca -0.48 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.33 1cwv h LYS 816 Cb 1.17 0.00 -0.17 0.00 -1.58 0.00 0.00 32.23 31.65 1cwv h LYS 816 CO 0.60 0.22 -0.79 0.95 -1.08 0.00 0.00 179.45 179.35 1cwv s THR 817 N -3.06 2.76 0.23 -0.16 -4.23 -1.26 -0.83 115.64 109.09 1cwv s THR 817 Ca -0.01 -1.73 -0.09 0.00 -1.18 0.00 0.00 61.69 58.67 1cwv s THR 817 Cb 0.09 -2.31 -0.01 0.00 1.34 0.00 0.00 72.50 71.60 1cwv s THR 817 CO 0.80 -0.03 0.37 0.27 -0.54 0.00 0.00 174.62 175.49 1cwv s ILE 818 N -1.47 0.01 -0.03 2.99 -4.36 -0.46 -4.97 121.20 112.91 1cwv s ILE 818 Ca 0.21 -1.55 -0.30 0.00 -0.26 0.00 0.00 60.65 58.75 1cwv s ILE 818 Cb -0.09 -2.24 0.11 0.00 1.25 0.00 0.00 42.46 41.49 1cwv s ILE 818 CO 0.11 -0.03 0.95 0.72 0.24 0.00 0.00 174.94 176.93 1cwv s PHE 819 N -4.05 -0.30 0.09 1.37 -0.12 -1.26 -0.53 117.98 113.18 1cwv s PHE 819 Ca 0.26 0.17 -0.33 0.00 -0.05 0.00 0.00 56.93 56.98 1cwv s PHE 819 Cb 0.02 0.54 -0.12 0.00 -0.63 0.00 0.00 43.02 42.82 1cwv s PHE 819 CO 0.09 -0.49 1.73 1.17 -0.05 0.00 0.00 175.22 177.67 1cwv n LYS 820 N -0.23 2.35 -0.85 1.99 4.81 -1.26 -1.78 118.16 123.19 1cwv n LYS 820 Ca -0.07 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 1cwv n LYS 820 Cb 0.61 -2.68 0.00 0.00 0.02 0.00 0.00 35.03 32.98 1cwv n LYS 820 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1cwv n ASN 821 N 4.86 -2.31 -4.77 3.14 3.02 0.76 -4.91 115.26 115.05 1cwv n ASN 821 Ca 0.19 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.37 1cwv n ASN 821 Cb 0.31 -0.38 -0.00 0.00 -0.61 0.00 0.00 39.78 39.10 1cwv n ASN 821 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cwv s ALA 822 N -2.17 2.88 -0.06 5.41 0.00 -0.73 -4.79 121.76 122.30 1cwv s ALA 822 Ca 0.00 0.92 -0.24 0.00 0.00 0.00 0.00 51.96 52.64 1cwv s ALA 822 Cb 0.00 -3.38 0.05 0.00 0.00 0.00 0.00 23.12 19.79 1cwv s ALA 822 CO 0.00 -0.73 0.54 -0.08 0.00 0.00 0.00 175.76 175.49 1cwv s THR 823 N -1.60 0.02 0.07 0.00 -1.32 -1.26 -0.34 115.64 111.21 1cwv s THR 823 Ca 0.67 -0.16 -0.13 0.00 -1.21 0.00 0.00 61.69 60.86 1cwv s THR 823 Cb -0.28 -0.84 0.02 0.00 -1.51 0.00 0.00 72.50 69.88 1cwv s THR 823 CO 0.33 -0.09 0.28 0.72 -2.21 0.00 0.00 174.62 173.65 1cwv s PHE 824 N -1.08 -0.04 -0.26 9.09 -0.12 -0.22 -4.61 117.98 120.74 1cwv s PHE 824 Ca -0.11 -0.21 -0.01 0.00 -0.05 0.00 0.00 56.93 56.56 1cwv s PHE 824 Cb -0.02 0.08 0.04 0.00 -0.63 0.00 0.00 43.02 42.48 1cwv s PHE 824 CO 0.07 -0.55 -0.06 -1.14 -0.05 0.00 0.00 175.22 173.50 1cwv s GLN 825 N -3.14 2.63 0.35 1.99 0.74 -0.21 -0.07 119.66 121.95 1cwv s GLN 825 Ca -0.01 -1.11 -0.28 0.00 0.05 0.00 0.00 55.36 54.01 1cwv s GLN 825 Cb 0.01 -3.01 -0.09 0.00 1.10 0.00 0.00 33.01 31.02 1cwv s GLN 825 CO -0.07 -0.48 1.22 -0.51 -0.55 0.00 0.00 175.29 174.90 1cwv s LEU 826 N 1.27 4.37 -0.17 3.68 1.43 -0.79 -1.40 118.68 127.07 1cwv s LEU 826 Ca -0.03 2.50 -0.01 0.00 -1.03 0.00 0.00 54.13 55.56 1cwv s LEU 826 Cb -0.18 -3.78 -0.00 0.00 0.03 0.00 0.00 46.19 42.26 1cwv s LEU 826 CO -0.04 -0.52 -0.12 -1.58 0.23 0.00 0.00 176.35 174.32 1cwv s GLN 827 N -1.91 3.28 -0.13 1.70 0.74 0.58 -4.80 119.66 119.13 1cwv s GLN 827 Ca 0.51 -0.70 -0.12 0.00 0.05 0.00 0.00 55.36 55.10 1cwv s GLN 827 Cb -0.35 -2.73 -0.05 0.00 1.10 0.00 0.00 33.01 30.98 1cwv s GLN 827 CO 0.46 -0.02 0.25 -1.64 -0.55 0.00 0.00 175.29 173.78 1cwv s MET 828 N 0.95 3.98 -1.29 1.67 -1.94 -1.26 -0.35 119.30 121.05 1cwv s MET 828 Ca -0.02 0.04 -0.19 0.00 -1.71 0.00 0.00 55.69 53.81 1cwv s MET 828 Cb -0.15 -3.33 0.02 0.00 2.01 0.00 0.00 34.83 33.38 1cwv s MET 828 CO -0.01 0.47 0.54 -0.25 -0.01 0.00 0.00 175.02 175.75 1cwv n ASP 829 N 2.85 -2.83 -0.35 3.03 8.00 0.15 -2.43 116.55 124.97 1cwv n ASP 829 Ca -0.15 -1.18 -0.04 0.00 0.71 0.00 0.00 54.79 54.13 1cwv n ASP 829 Cb 0.53 -2.31 -0.02 0.00 -0.02 0.00 0.00 41.12 39.31 1cwv n ASP 829 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1cwv n ASN 830 N -2.56 -4.49 -3.60 -2.24 4.13 -1.26 -4.91 115.26 100.34 1cwv n ASN 830 Ca -0.18 0.09 -0.02 0.00 1.68 0.00 0.00 54.58 56.16 1cwv n ASN 830 Cb 0.62 -3.04 -0.05 0.00 -1.54 0.00 0.00 39.78 35.77 1cwv n ASN 830 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1cwv s ASP 831 N -1.72 -0.96 0.10 6.41 -1.08 -1.02 -5.02 116.67 113.39 1cwv s ASP 831 Ca 0.00 1.36 0.12 0.00 -0.52 0.00 0.00 52.55 53.51 1cwv s ASP 831 Cb 0.00 1.95 0.55 0.00 -1.46 0.00 0.00 42.92 43.96 1cwv s ASP 831 CO 0.00 -0.20 1.37 1.33 0.52 0.00 0.00 175.17 178.19 1cwv n VAL 832 N 5.04 1.35 0.25 1.11 0.24 -1.26 -0.94 118.33 124.12 1cwv n VAL 832 Ca -0.13 0.44 0.12 0.00 -2.04 0.00 0.00 64.34 62.72 1cwv n VAL 832 Cb 0.52 -1.36 0.67 0.00 -1.47 0.00 0.00 33.84 32.20 1cwv n VAL 832 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1cwv h ALA 833 N 2.18 1.25 0.00 2.33 0.00 -1.95 -2.29 119.26 120.77 1cwv h ALA 833 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1cwv h ALA 833 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1cwv h ALA 833 CO 0.00 0.18 0.00 -0.91 0.00 0.00 0.00 179.25 178.52 1cwv h ASN 834 N 0.00 0.00 -0.06 0.00 2.35 -1.30 -3.32 115.58 113.25 1cwv h ASN 834 Ca -0.00 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1cwv h ASN 834 Cb 0.41 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 1cwv h ASN 834 CO 0.02 0.00 0.05 0.78 -1.65 0.00 0.00 177.43 176.63 1cwv h ASN 835 N 0.00 0.00 0.01 5.81 2.35 -1.57 -1.41 115.58 120.77 1cwv h ASN 835 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1cwv h ASN 835 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 1cwv h ASN 835 CO 0.00 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.13 1cwv n THR 836 N -4.12 0.02 1.41 2.81 -2.24 -1.25 -1.72 114.28 109.20 1cwv n THR 836 Ca -0.02 0.01 0.14 0.00 -2.27 0.00 0.00 64.05 61.91 1cwv n THR 836 Cb 0.15 -0.72 0.45 0.00 -2.10 0.00 0.00 70.33 68.11 1cwv n THR 836 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cwv n GLN 837 N -1.01 1.74 -4.34 -0.78 6.02 -0.53 -4.91 117.38 113.57 1cwv n GLN 837 Ca 0.13 -1.10 -0.18 0.00 -0.01 0.00 0.00 57.00 55.84 1cwv n GLN 837 Cb 0.07 -1.48 -0.10 0.00 1.02 0.00 0.00 30.24 29.75 1cwv n GLN 837 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1cwv s TYR 838 N -2.02 1.70 -0.24 1.08 1.51 -0.70 -1.38 117.35 117.30 1cwv s TYR 838 Ca 0.36 -0.57 -0.10 0.00 -1.01 0.00 0.00 57.07 55.75 1cwv s TYR 838 Cb 0.21 -0.79 -0.05 0.00 -0.11 0.00 0.00 41.96 41.22 1cwv s TYR 838 CO 0.34 0.35 0.15 -1.21 -1.11 0.00 0.00 175.55 174.07 1cwv s GLU 839 N -3.60 4.00 -0.13 -0.62 2.02 0.58 -4.86 118.70 116.09 1cwv s GLU 839 Ca 0.22 -0.31 -0.08 0.00 0.02 0.00 0.00 54.97 54.82 1cwv s GLU 839 Cb -0.01 -3.52 -0.04 0.00 0.10 0.00 0.00 34.13 30.66 1cwv s GLU 839 CO 0.07 0.01 0.15 -1.58 0.02 0.00 0.00 175.26 173.93 1cwv s TRP 840 N 1.20 3.57 0.02 1.61 0.52 -1.26 -0.97 118.94 123.63 1cwv s TRP 840 Ca 0.07 0.52 -0.16 0.00 0.02 0.00 0.00 56.10 56.55 1cwv s TRP 840 Cb -0.14 -2.00 0.03 0.00 -1.15 0.00 0.00 33.47 30.20 1cwv s TRP 840 CO 0.05 0.65 0.34 -1.54 0.02 0.00 0.00 176.95 176.48 1cwv s SER 841 N -0.77 -0.20 0.02 2.95 1.04 -0.67 -4.92 113.70 111.16 1cwv s SER 841 Ca 0.14 -0.01 0.07 0.00 0.48 0.00 0.00 55.95 56.63 1cwv s SER 841 Cb -0.12 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 1cwv s SER 841 CO 0.03 -0.56 -0.19 -0.55 0.98 0.00 0.00 173.24 172.96 1cwv s SER 842 N -1.73 3.74 0.00 7.02 0.15 -1.26 0.34 113.70 121.96 1cwv s SER 842 Ca -0.09 -0.40 0.28 0.00 0.70 0.00 0.00 55.95 56.44 1cwv s SER 842 Cb -0.02 -0.61 1.13 0.00 -1.71 0.00 0.00 66.02 64.81 1cwv s SER 842 CO 0.00 0.27 1.80 -1.54 1.20 0.00 0.00 173.24 174.98 1cwv n SER 843 N 1.75 0.56 -3.40 5.45 3.41 0.15 -4.55 113.62 116.99 1cwv n SER 843 Ca -0.16 -0.61 -0.25 0.00 -0.26 0.00 0.00 58.87 57.59 1cwv n SER 843 Cb 0.52 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 64.33 1cwv n SER 843 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1cwv s PHE 844 N -2.50 0.45 0.17 7.33 5.36 -1.26 -4.93 117.98 122.61 1cwv s PHE 844 Ca 0.27 -1.54 0.08 0.00 -0.96 0.00 0.00 56.93 54.79 1cwv s PHE 844 Cb 0.20 -0.74 -0.04 0.00 -0.34 0.00 0.00 43.02 42.10 1cwv s PHE 844 CO 0.49 -0.88 -0.08 0.95 -1.46 0.00 0.00 175.22 174.23 1cwv s THR 845 N 0.94 3.29 -0.90 0.12 -4.23 -1.26 -1.18 115.64 112.42 1cwv s THR 845 Ca 0.21 -1.58 0.28 0.00 -1.18 0.00 0.00 61.69 59.42 1cwv s THR 845 Cb -0.15 -2.62 0.23 0.00 1.34 0.00 0.00 72.50 71.30 1cwv s THR 845 CO -0.04 -0.09 1.82 -0.81 -0.54 0.00 0.00 174.62 174.96 1cwv n PRO 846 N 0.09 0.10 -0.28 3.99 -0.04 -1.26 -4.89 135.00 132.71 1cwv n PRO 846 Ca -0.11 0.07 0.18 0.00 -0.04 0.00 0.00 63.50 63.60 1cwv n PRO 846 Cb 0.55 -1.61 0.34 0.00 -0.04 0.00 0.00 33.50 32.75 1cwv n PRO 846 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1cwv n ASN 847 N -1.77 0.05 -3.96 3.54 4.13 -1.25 -3.23 115.26 112.77 1cwv n ASN 847 Ca 0.06 1.41 -0.31 0.00 1.68 0.00 0.00 54.58 57.43 1cwv n ASN 847 Cb 0.37 -0.58 -0.15 0.00 -1.54 0.00 0.00 39.78 37.88 1cwv n ASN 847 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1cwv s VAL 848 N -5.59 1.64 0.12 2.41 1.01 -0.32 -0.38 120.40 119.29 1cwv s VAL 848 Ca -0.10 -1.31 0.05 0.00 0.00 0.00 0.00 61.98 60.63 1cwv s VAL 848 Cb 0.26 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 1cwv s VAL 848 CO 0.65 -0.10 0.03 -0.44 0.00 0.00 0.00 175.10 175.25 1cwv s SER 849 N 1.34 5.11 -0.01 3.32 0.01 -0.48 -4.26 113.70 118.74 1cwv s SER 849 Ca -0.06 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1cwv s SER 849 Cb -0.19 -1.23 0.01 0.00 0.21 0.00 0.00 66.02 64.82 1cwv s SER 849 CO -0.06 0.14 0.01 0.54 0.41 0.00 0.00 173.24 174.27 1cwv s VAL 850 N -1.48 0.01 0.00 3.43 0.11 -1.26 -0.33 120.40 120.88 1cwv s VAL 850 Ca 0.27 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.38 1cwv s VAL 850 Cb -0.11 -0.06 0.00 0.00 -1.53 0.00 0.00 36.38 34.69 1cwv s VAL 850 CO 0.20 0.04 0.00 -0.46 -3.33 0.00 0.00 175.10 171.54 1cwv n ASN 851 N 3.42 0.29 0.00 3.54 0.23 -0.84 -4.84 115.26 117.07 1cwv n ASN 851 Ca -0.17 -0.78 0.11 0.00 -0.53 0.00 0.00 54.58 53.21 1cwv n ASN 851 Cb 0.57 0.00 0.59 0.00 -2.08 0.00 0.00 39.78 38.86 1cwv n ASN 851 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1cwv n ASP 852 N -2.10 0.00 -0.90 0.53 8.00 -1.26 -2.71 116.55 118.10 1cwv n ASP 852 Ca 0.00 -0.22 0.09 0.00 0.71 0.00 0.00 54.79 55.37 1cwv n ASP 852 Cb 0.00 -0.21 0.17 0.00 -0.02 0.00 0.00 41.12 41.06 1cwv n ASP 852 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1cwv n GLN 853 N -1.21 2.19 -1.09 -1.24 1.13 -1.26 -4.29 117.38 111.61 1cwv n GLN 853 Ca 0.12 -2.02 -0.03 0.00 -1.94 0.00 0.00 57.00 53.14 1cwv n GLN 853 Cb 0.15 -1.40 -0.01 0.00 0.11 0.00 0.00 30.24 29.09 1cwv n GLN 853 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1cwv n GLY 854 N 1.11 0.63 3.62 1.08 0.00 -1.10 -4.80 105.19 105.72 1cwv n GLY 854 Ca 0.15 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 1cwv n GLY 854 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1cwv s GLN 855 N -1.93 3.99 -0.22 1.61 2.00 -1.26 -1.88 119.66 121.96 1cwv s GLN 855 Ca 0.00 0.80 -0.09 0.00 -2.00 0.00 0.00 55.36 54.07 1cwv s GLN 855 Cb 0.00 -3.74 -0.04 0.00 0.80 0.00 0.00 33.01 30.03 1cwv s GLN 855 CO 0.00 -0.81 0.11 0.08 -0.50 0.00 0.00 175.29 174.17 1cwv s VAL 856 N 3.32 4.99 -0.05 1.34 1.01 0.90 -1.98 120.40 129.93 1cwv s VAL 856 Ca 0.39 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.44 1cwv s VAL 856 Cb -0.13 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.96 1cwv s VAL 856 CO 0.14 0.38 -0.09 0.28 0.00 0.00 0.00 175.10 175.81 1cwv s THR 857 N 0.93 0.90 0.04 3.92 -1.32 0.55 -1.06 115.64 119.59 1cwv s THR 857 Ca 0.06 -0.36 -0.24 0.00 -1.21 0.00 0.00 61.69 59.94 1cwv s THR 857 Cb -0.13 -0.84 -0.06 0.00 -1.51 0.00 0.00 72.50 69.96 1cwv s THR 857 CO 0.03 0.30 0.73 -0.63 -2.21 0.00 0.00 174.62 172.84 1cwv s ILE 858 N 0.62 4.74 0.00 5.08 -1.09 0.54 -1.39 121.20 129.71 1cwv s ILE 858 Ca -0.11 1.56 0.00 0.00 -2.23 0.00 0.00 60.65 59.86 1cwv s ILE 858 Cb -0.14 -4.08 0.00 0.00 -1.58 0.00 0.00 42.46 36.66 1cwv s ILE 858 CO 0.02 0.39 0.00 1.07 -1.23 0.00 0.00 174.94 175.19 1cwv n THR 859 N 2.71 0.00 -3.96 2.92 5.66 0.49 -0.17 114.28 121.93 1cwv n THR 859 Ca -0.04 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.87 1cwv n THR 859 Cb 0.50 -0.95 -0.08 0.00 -1.55 0.00 0.00 70.33 68.25 1cwv n THR 859 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1cwv s TYR 860 N -1.97 0.39 0.94 1.09 1.51 -1.19 -4.69 117.35 113.44 1cwv s TYR 860 Ca 0.00 -0.79 -0.11 0.00 -1.01 0.00 0.00 57.07 55.17 1cwv s TYR 860 Cb 0.00 -0.13 0.16 0.00 -0.11 0.00 0.00 41.96 41.88 1cwv s TYR 860 CO 0.00 -0.62 1.11 1.14 -1.11 0.00 0.00 175.55 176.07 1cwv s GLN 861 N -3.94 0.82 0.47 -0.62 -2.07 -1.26 -4.67 119.66 108.38 1cwv s GLN 861 Ca 0.14 1.31 0.06 0.00 -1.82 0.00 0.00 55.36 55.05 1cwv s GLN 861 Cb 0.05 -1.72 -0.01 0.00 -1.09 0.00 0.00 33.01 30.23 1cwv s GLN 861 CO -0.04 -2.69 0.25 0.95 -1.32 0.00 0.00 175.29 172.44 1cwv s THR 862 N -2.67 1.96 0.00 3.63 -4.23 -1.26 -4.91 115.64 108.16 1cwv s THR 862 Ca 0.66 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 1cwv s THR 862 Cb -0.22 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.02 1cwv s THR 862 CO 0.59 0.00 0.22 0.00 -0.54 0.00 0.00 174.62 174.89 1cwv n TYR 863 N -1.44 0.00 -3.32 3.99 0.18 -1.26 -4.92 117.16 110.39 1cwv n TYR 863 Ca -0.03 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.72 1cwv n TYR 863 Cb 0.65 0.01 0.01 0.00 -0.38 0.00 0.00 39.34 39.62 1cwv n TYR 863 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 1cwv n SER 864 N 0.00 -0.76 -4.77 9.48 3.41 -1.26 -5.14 113.62 114.59 1cwv n SER 864 Ca 0.00 -1.51 -0.39 0.00 -0.26 0.00 0.00 58.87 56.71 1cwv n SER 864 Cb 0.37 1.26 -0.01 0.00 -0.26 0.00 0.00 64.21 65.56 1cwv n SER 864 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1cwv s GLU 865 N -2.03 4.04 0.14 4.33 2.12 -1.26 -4.63 118.70 121.41 1cwv s GLU 865 Ca 0.06 1.97 0.08 0.00 0.36 0.00 0.00 54.97 57.43 1cwv s GLU 865 Cb -0.02 -2.73 -0.04 0.00 0.26 0.00 0.00 34.13 31.61 1cwv s GLU 865 CO 0.04 -0.37 -0.18 0.08 -0.54 0.00 0.00 175.26 174.29 1cwv s VAL 866 N -1.34 1.70 -0.04 3.70 1.01 0.97 -4.98 120.40 121.43 1cwv s VAL 866 Ca 0.56 -1.76 0.02 0.00 0.00 0.00 0.00 61.98 60.80 1cwv s VAL 866 Cb -0.34 -1.70 0.01 0.00 0.00 0.00 0.00 36.38 34.36 1cwv s VAL 866 CO 0.43 -0.25 -0.06 0.00 0.00 0.00 0.00 175.10 175.21 1cwv s ALA 867 N -1.79 0.75 -0.21 5.51 0.00 -1.26 -1.61 121.76 123.15 1cwv s ALA 867 Ca 0.12 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.86 1cwv s ALA 867 Cb -0.07 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 1cwv s ALA 867 CO 0.05 0.06 -0.02 0.08 0.00 0.00 0.00 175.76 175.93 1cwv s VAL 868 N 0.59 3.65 -0.03 0.00 1.01 -0.70 -0.67 120.40 124.26 1cwv s VAL 868 Ca -0.09 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.53 1cwv s VAL 868 Cb -0.12 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 1cwv s VAL 868 CO 0.01 0.42 -0.14 -0.89 0.00 0.00 0.00 175.10 174.50 1cwv s THR 869 N 1.24 3.08 -0.27 3.92 2.01 0.15 -0.41 115.64 125.37 1cwv s THR 869 Ca 0.03 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 61.20 1cwv s THR 869 Cb -0.14 -2.24 0.03 0.00 0.01 0.00 0.00 72.50 70.16 1cwv s THR 869 CO -0.00 0.52 -0.04 0.00 -0.69 0.00 0.00 174.62 174.41 1cwv s ALA 870 N -0.80 2.73 -0.22 7.40 0.00 0.96 -1.66 121.76 130.16 1cwv s ALA 870 Ca 0.13 -1.57 -0.09 0.00 0.00 0.00 0.00 51.96 50.43 1cwv s ALA 870 Cb -0.11 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 1cwv s ALA 870 CO 0.02 -0.98 0.11 0.21 0.00 0.00 0.00 175.76 175.13 1cwv s LYS 871 N 1.30 3.95 0.12 0.00 2.20 -0.14 -0.47 119.74 126.69 1cwv s LYS 871 Ca -0.02 -0.34 -0.31 0.00 -0.36 0.00 0.00 55.97 54.94 1cwv s LYS 871 Cb -0.18 -3.39 -0.10 0.00 -1.51 0.00 0.00 37.83 32.66 1cwv s LYS 871 CO -0.03 0.07 1.70 0.45 -0.36 0.00 0.00 175.35 177.18 1cwv s SER 872 N 0.96 6.52 0.21 1.43 0.15 -0.12 -0.31 113.70 122.53 1cwv s SER 872 Ca 0.06 2.64 0.00 0.00 0.70 0.00 0.00 55.95 59.35 1cwv s SER 872 Cb -0.14 -2.57 0.16 0.00 -1.71 0.00 0.00 66.02 61.75 1cwv s SER 872 CO 0.03 -0.92 1.51 0.11 1.20 0.00 0.00 173.24 175.17 1cwv h LYS 873 N 7.90 0.40 -0.10 5.44 1.57 -1.56 -2.69 116.57 127.53 1cwv h LYS 873 Ca -0.44 -0.28 -0.06 0.00 -1.87 0.00 0.00 60.65 58.01 1cwv h LYS 873 Cb 1.21 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 1cwv h LYS 873 CO 0.94 0.89 -0.17 -0.22 -0.57 0.00 0.00 179.45 180.32 1cwv h LYS 874 N 0.30 0.29 -3.17 3.15 3.11 -1.90 -3.37 116.57 114.97 1cwv h LYS 874 Ca -0.01 -0.18 -0.63 0.00 -2.81 0.00 0.00 60.65 57.03 1cwv h LYS 874 Cb 1.14 0.02 -0.41 0.00 -1.00 0.00 0.00 32.23 31.98 1cwv h LYS 874 CO 0.10 0.76 -0.65 -0.06 -2.81 0.00 0.00 179.45 176.80 1cwv s PHE 875 N -4.06 3.01 0.56 1.91 0.40 -1.23 -4.96 117.98 113.60 1cwv s PHE 875 Ca -0.15 -3.07 0.27 0.00 -0.60 0.00 0.00 56.93 53.38 1cwv s PHE 875 Cb 0.04 -2.54 1.48 0.00 0.51 0.00 0.00 43.02 42.51 1cwv s PHE 875 CO 0.75 -0.69 2.01 -1.35 0.70 0.00 0.00 175.22 176.63 1cwv h PRO 876 N 6.14 0.00 0.00 0.24 0.11 -1.65 0.34 132.00 137.18 1cwv h PRO 876 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1cwv h PRO 876 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1cwv h PRO 876 CO 0.65 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.31 1cwv n SER 877 N -4.10 0.03 -4.53 -2.05 3.41 -1.26 -4.67 113.62 100.45 1cwv n SER 877 Ca 0.07 0.51 -0.34 0.00 -0.26 0.00 0.00 58.87 58.85 1cwv n SER 877 Cb 0.53 -0.52 -0.12 0.00 -0.26 0.00 0.00 64.21 63.85 1cwv n SER 877 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1cwv s TYR 878 N -3.02 2.91 0.01 7.33 5.04 0.11 -5.08 117.35 124.65 1cwv s TYR 878 Ca 0.07 -0.14 -0.25 0.00 -2.44 0.00 0.00 57.07 54.31 1cwv s TYR 878 Cb 0.09 -1.76 0.06 0.00 0.35 0.00 0.00 41.96 40.70 1cwv s TYR 878 CO 0.27 0.18 0.56 -1.54 -1.34 0.00 0.00 175.55 173.68 1cwv s SER 879 N -0.44 -0.50 0.00 4.32 1.04 -1.26 -0.95 113.70 115.91 1cwv s SER 879 Ca 0.06 0.36 0.06 0.00 0.48 0.00 0.00 55.95 56.91 1cwv s SER 879 Cb -0.12 0.50 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 1cwv s SER 879 CO 0.02 -0.66 -0.19 -0.69 0.98 0.00 0.00 173.24 172.69 1cwv s VAL 880 N -1.93 1.54 0.02 5.02 1.01 0.38 -4.97 120.40 121.47 1cwv s VAL 880 Ca -0.08 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.02 1cwv s VAL 880 Cb -0.01 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1cwv s VAL 880 CO 0.03 0.34 -0.17 -0.44 0.00 0.00 0.00 175.10 174.86 1cwv s SER 881 N -0.70 2.06 -0.28 3.32 0.01 -1.26 -0.03 113.70 116.83 1cwv s SER 881 Ca 0.07 -0.41 -0.08 0.00 1.31 0.00 0.00 55.95 56.85 1cwv s SER 881 Cb -0.08 -0.19 -0.01 0.00 0.21 0.00 0.00 66.02 65.95 1cwv s SER 881 CO 0.00 0.15 0.10 -0.47 0.41 0.00 0.00 173.24 173.43 1cwv s TYR 882 N -0.62 3.13 -0.08 2.43 5.04 0.45 -4.95 117.35 122.75 1cwv s TYR 882 Ca 0.06 -0.57 -0.03 0.00 -2.44 0.00 0.00 57.07 54.08 1cwv s TYR 882 Cb -0.07 -2.28 -0.04 0.00 0.35 0.00 0.00 41.96 39.92 1cwv s TYR 882 CO 0.01 -0.43 0.08 1.03 -1.34 0.00 0.00 175.55 174.89 1cwv s ARG 883 N 1.59 3.19 0.07 4.97 0.52 -1.26 -1.71 118.95 126.32 1cwv s ARG 883 Ca 0.05 -0.32 -0.19 0.00 -0.52 0.00 0.00 55.73 54.75 1cwv s ARG 883 Cb -0.16 -2.97 0.04 0.00 0.52 0.00 0.00 34.95 32.39 1cwv s ARG 883 CO 0.04 0.72 0.45 -0.59 0.02 0.00 0.00 175.30 175.94 1cwv s PHE 884 N -1.02 -0.30 -0.38 -0.53 -0.12 -0.64 -4.94 117.98 110.04 1cwv s PHE 884 Ca 0.17 0.21 0.02 0.00 -0.05 0.00 0.00 56.93 57.27 1cwv s PHE 884 Cb -0.12 0.28 0.16 0.00 -0.63 0.00 0.00 43.02 42.71 1cwv s PHE 884 CO 0.06 -0.64 0.30 -0.47 -0.05 0.00 0.00 175.22 174.42 1cwv s TYR 885 N -2.89 0.63 0.61 3.49 6.04 -1.26 -0.02 117.35 123.95 1cwv s TYR 885 Ca -0.03 -1.76 -0.19 0.00 0.04 0.00 0.00 57.07 55.14 1cwv s TYR 885 Cb -0.00 -0.79 -0.03 0.00 -1.04 0.00 0.00 41.96 40.09 1cwv s TYR 885 CO -0.05 -0.87 1.16 -2.30 -1.54 0.00 0.00 175.55 171.95 1cwv n PRO 886 N 3.55 1.12 0.00 4.97 -0.02 -1.26 -4.88 135.00 138.48 1cwv n PRO 886 Ca 0.19 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1cwv n PRO 886 Cb 0.43 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1cwv n PRO 886 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1cwv n ASN 887 N -1.24 0.88 -3.76 2.55 0.23 -0.01 -4.80 115.26 109.12 1cwv n ASN 887 Ca 0.14 -1.14 -0.15 0.00 -0.53 0.00 0.00 54.58 52.91 1cwv n ASN 887 Cb 0.47 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 38.02 1cwv n ASN 887 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1cwv s ARG 888 N -0.14 0.01 -0.33 -3.83 1.81 -0.96 -1.47 118.95 114.05 1cwv s ARG 888 Ca 0.00 0.27 -0.02 0.00 -1.72 0.00 0.00 55.73 54.26 1cwv s ARG 888 Cb 0.00 -0.23 0.06 0.00 -0.45 0.00 0.00 34.95 34.34 1cwv s ARG 888 CO 0.00 -0.17 0.06 -0.46 -0.68 0.00 0.00 175.30 174.04 1cwv s TRP 889 N 1.15 3.36 0.30 -0.53 -0.11 0.12 -1.36 118.94 121.87 1cwv s TRP 889 Ca -0.09 -2.01 -0.15 0.00 1.22 0.00 0.00 56.10 55.07 1cwv s TRP 889 Cb -0.12 -2.41 -0.09 0.00 -1.50 0.00 0.00 33.47 29.35 1cwv s TRP 889 CO -0.04 -0.84 0.72 0.42 -4.62 0.00 0.00 176.95 172.59 1cwv s ILE 890 N 1.22 4.68 -0.05 5.86 1.09 0.31 -0.21 121.20 134.10 1cwv s ILE 890 Ca -0.01 0.97 -0.30 0.00 -1.10 0.00 0.00 60.65 60.21 1cwv s ILE 890 Cb -0.20 -3.65 0.11 0.00 -1.06 0.00 0.00 42.46 37.66 1cwv s ILE 890 CO -0.02 -0.12 0.99 -0.72 -0.10 0.00 0.00 174.94 174.97 1cwv s TYR 891 N -1.91 -0.27 0.36 3.97 -0.85 -0.21 -4.31 117.35 114.14 1cwv s TYR 891 Ca 0.52 0.15 -0.07 0.00 -0.52 0.00 0.00 57.07 57.15 1cwv s TYR 891 Cb -0.11 0.54 -0.05 0.00 0.38 0.00 0.00 41.96 42.71 1cwv s TYR 891 CO 0.18 -0.46 0.67 0.16 -1.52 0.00 0.00 175.55 174.57 1cwv s ASP 892 N -2.44 6.43 -0.30 -0.18 -4.77 -1.26 -1.19 116.67 112.96 1cwv s ASP 892 Ca 0.07 0.88 0.07 0.00 -3.30 0.00 0.00 52.55 50.27 1cwv s ASP 892 Cb -0.01 -2.22 0.46 0.00 -1.09 0.00 0.00 42.92 40.06 1cwv s ASP 892 CO -0.07 -0.34 1.18 0.61 0.70 0.00 0.00 175.17 177.26 1cwv n GLY 893 N -1.33 6.35 0.00 2.12 0.00 -1.21 -4.87 105.19 106.26 1cwv n GLY 893 Ca -0.00 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.36 1cwv n GLY 893 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cwv n GLY 894 N -0.70 3.58 0.01 -0.02 0.00 -1.26 -4.81 105.19 102.00 1cwv n GLY 894 Ca 0.43 -1.69 0.11 0.00 0.00 0.00 0.00 46.02 44.87 1cwv n GLY 894 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cwv n ARG 895 N -1.15 0.30 -2.86 1.61 1.74 -1.26 -4.44 116.66 110.59 1cwv n ARG 895 Ca 0.00 -0.06 -0.34 0.00 -0.77 0.00 0.00 57.85 56.68 1cwv n ARG 895 Cb 0.00 -1.54 -0.07 0.00 -1.02 0.00 0.00 32.46 29.83 1cwv n ARG 895 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1cwv s SER 896 N -3.79 7.04 -0.04 0.55 0.01 -1.26 -4.99 113.70 111.21 1cwv s SER 896 Ca 0.02 1.67 -0.30 0.00 1.31 0.00 0.00 55.95 58.65 1cwv s SER 896 Cb 0.15 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.81 1cwv s SER 896 CO 0.86 -0.24 1.33 -0.22 0.41 0.00 0.00 173.24 175.37 1cwv s LEU 897 N -2.79 4.29 0.35 2.44 2.96 -1.26 -4.66 118.68 120.01 1cwv s LEU 897 Ca 0.57 1.97 0.03 0.00 -0.22 0.00 0.00 54.13 56.48 1cwv s LEU 897 Cb -0.12 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1cwv s LEU 897 CO 0.17 -0.69 0.10 0.68 -1.32 0.00 0.00 176.35 175.29 1cwv s VAL 898 N 2.54 0.83 0.85 1.68 -7.23 -0.38 -4.76 120.40 113.93 1cwv s VAL 898 Ca 0.60 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.66 1cwv s VAL 898 Cb -0.28 -2.58 0.10 0.00 0.56 0.00 0.00 36.38 34.19 1cwv s VAL 898 CO 0.24 0.00 1.12 -0.94 -0.31 0.00 0.00 175.10 175.21 1cwv s SER 899 N -3.51 4.03 0.23 4.85 1.04 -1.26 -1.01 113.70 118.07 1cwv s SER 899 Ca 0.31 1.11 -0.02 0.00 0.48 0.00 0.00 55.95 57.84 1cwv s SER 899 Cb 0.06 -1.76 0.25 0.00 0.10 0.00 0.00 66.02 64.67 1cwv s SER 899 CO 0.15 -2.24 1.64 0.77 0.98 0.00 0.00 173.24 174.54 1cwv h SER 900 N -1.28 0.64 -0.62 7.02 4.64 -1.93 -1.00 113.55 121.02 1cwv h SER 900 Ca -0.49 -0.25 -0.03 0.00 -0.47 0.00 0.00 61.79 60.55 1cwv h SER 900 Cb 1.30 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 63.19 1cwv h SER 900 CO 0.61 0.90 0.25 -0.07 -0.87 0.00 0.00 176.83 177.65 1cwv h LEU 901 N 0.53 0.85 0.18 5.97 3.38 -1.98 0.64 115.31 124.88 1cwv h LEU 901 Ca 0.06 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1cwv h LEU 901 Cb 0.79 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1cwv h LEU 901 CO 0.06 0.79 -0.09 -0.08 0.09 0.00 0.00 178.44 179.21 1cwv h GLU 902 N 0.86 -0.24 -0.34 1.13 4.57 -1.87 -1.94 114.58 116.76 1cwv h GLU 902 Ca 0.21 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.46 1cwv h GLU 902 Cb 0.20 0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 28.79 1cwv h GLU 902 CO -0.02 -0.15 -0.02 0.00 -1.18 0.00 0.00 179.01 177.65 1cwv h ALA 903 N 0.56 0.28 -0.51 2.92 0.00 -0.91 -0.23 119.26 121.37 1cwv h ALA 903 Ca -0.03 0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.09 1cwv h ALA 903 Cb 0.20 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.08 1cwv h ALA 903 CO 0.04 -0.42 -0.08 1.03 0.00 0.00 0.00 179.25 179.82 1cwv h SER 904 N 0.07 -0.39 -0.08 0.00 0.87 -0.56 -1.02 113.55 112.44 1cwv h SER 904 Ca 0.16 0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.85 1cwv h SER 904 Cb 0.23 0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1cwv h SER 904 CO -0.29 -0.14 -0.02 0.03 -0.53 0.00 0.00 176.83 175.88 1cwv h ARG 905 N 0.04 0.16 -0.09 2.24 3.08 -0.88 -3.15 114.38 115.78 1cwv h ARG 905 Ca 0.25 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.27 1cwv h ARG 905 Cb 0.39 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 1cwv h ARG 905 CO -0.50 0.47 0.11 0.37 -1.07 0.00 0.00 179.97 179.36 1cwv h GLN 906 N -0.16 0.00 -0.16 0.04 5.75 -0.38 -0.84 115.11 119.36 1cwv h GLN 906 Ca 0.02 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1cwv h GLN 906 Cb 0.41 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.96 1cwv h GLN 906 CO 0.01 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 176.19 1cwv n GLN 908 N 1.13 3.84 0.06 0.00 6.02 -0.32 -1.12 117.38 126.99 1cwv n GLN 908 Ca 0.17 -4.34 0.12 0.00 -0.01 0.00 0.00 57.00 52.94 1cwv n GLN 908 Cb 0.54 -2.32 0.30 0.00 1.02 0.00 0.00 30.24 29.77 1cwv n GLN 908 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1cwv n GLY 909 N -0.32 -1.49 3.20 1.08 0.00 -1.26 -4.88 105.19 101.52 1cwv n GLY 909 Ca 0.44 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 46.17 1cwv n GLY 909 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cwv s SER 910 N -4.02 1.14 0.55 1.61 0.01 -1.26 -5.01 113.70 106.71 1cwv s SER 910 Ca 0.09 -1.08 0.27 0.00 1.31 0.00 0.00 55.95 56.54 1cwv s SER 910 Cb 0.14 0.11 1.58 0.00 0.21 0.00 0.00 66.02 68.06 1cwv s SER 910 CO 0.66 -0.51 2.14 0.44 0.41 0.00 0.00 173.24 176.38 1cwv h ASP 911 N 2.85 0.00 -0.56 2.44 3.32 -1.98 -1.08 116.42 121.41 1cwv h ASP 911 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1cwv h ASP 911 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1cwv h ASP 911 CO 0.64 0.07 0.00 0.23 -1.72 0.00 0.00 179.24 178.46 1cwv n MET 912 N -3.77 3.73 -4.04 3.56 2.81 -1.26 -4.95 117.12 113.19 1cwv n MET 912 Ca -0.02 -2.85 -0.28 0.00 -1.81 0.00 0.00 57.70 52.74 1cwv n MET 912 Cb 0.17 -1.88 -0.05 0.00 -0.71 0.00 0.00 33.22 30.75 1cwv n MET 912 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1cwv s SER 913 N -1.05 5.70 0.00 7.83 0.15 -0.41 -1.48 113.70 124.44 1cwv s SER 913 Ca 0.48 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.11 1cwv s SER 913 Cb 0.33 -1.56 0.00 0.00 -1.71 0.00 0.00 66.02 63.08 1cwv s SER 913 CO 0.21 0.11 0.00 0.00 1.20 0.00 0.00 173.24 174.75 1cwv n ALA 914 N -0.08 0.00 -2.06 5.45 0.00 -0.28 -4.60 120.51 118.94 1cwv n ALA 914 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 1cwv n ALA 914 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 1cwv n ALA 914 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1cwv s VAL 915 N -2.00 3.23 0.05 0.00 1.01 -1.26 -1.70 120.40 119.72 1cwv s VAL 915 Ca 0.00 0.96 -0.37 0.00 0.00 0.00 0.00 61.98 62.57 1cwv s VAL 915 Cb 0.00 -3.62 -0.17 0.00 0.00 0.00 0.00 36.38 32.60 1cwv s VAL 915 CO 0.00 0.12 1.39 -0.11 0.00 0.00 0.00 175.10 176.50 1cwv n LEU 916 N 3.07 1.73 -4.77 3.92 7.94 -0.78 -4.38 117.00 123.74 1cwv n LEU 916 Ca 0.08 1.11 -0.41 0.00 -1.11 0.00 0.00 56.01 55.68 1cwv n LEU 916 Cb 0.43 -1.19 -0.01 0.00 0.53 0.00 0.00 43.42 43.18 1cwv n LEU 916 CO 0.58 -0.97 1.13 -1.61 -1.11 0.00 0.00 177.39 175.40 1cwv s GLU 917 N 0.82 4.18 0.26 1.96 2.02 -1.26 -0.13 118.70 126.55 1cwv s GLU 917 Ca 0.86 2.47 -0.04 0.00 0.02 0.00 0.00 54.97 58.27 1cwv s GLU 917 Cb -0.96 -3.02 0.32 0.00 0.10 0.00 0.00 34.13 30.56 1cwv s GLU 917 CO 0.49 -0.47 1.90 0.66 0.02 0.00 0.00 175.26 177.86 1cwv h SER 918 N 3.76 1.03 0.00 -0.19 4.64 0.03 -0.94 113.55 121.89 1cwv h SER 918 Ca -0.49 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 1cwv h SER 918 Cb 1.23 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1cwv h SER 918 CO 0.70 0.81 0.16 0.77 -0.87 0.00 0.00 176.83 178.40 1cwv h SER 919 N 1.18 0.00 -0.01 4.97 4.64 -1.86 0.59 113.55 123.06 1cwv h SER 919 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1cwv h SER 919 Cb -0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1cwv h SER 919 CO -0.05 0.00 -0.14 0.54 -0.87 0.00 0.00 176.83 176.31 1cwv n ARG 920 N -2.56 1.79 0.05 4.77 5.12 -0.43 -4.65 116.66 120.74 1cwv n ARG 920 Ca -0.02 -0.65 -0.20 0.00 -1.93 0.00 0.00 57.85 55.06 1cwv n ARG 920 Cb 0.21 -1.06 -0.15 0.00 -1.16 0.00 0.00 32.46 30.30 1cwv n ARG 920 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1cwv h ALA 921 N 1.51 -0.09 -2.22 7.54 0.00 -0.07 0.97 119.26 126.90 1cwv h ALA 921 Ca 0.00 -0.69 0.21 0.00 0.00 0.00 0.00 54.91 54.42 1cwv h ALA 921 Cb 0.30 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 1cwv h ALA 921 CO 0.00 0.38 0.58 -0.08 0.00 0.00 0.00 179.25 180.13 1cwv s THR 922 N -2.46 0.00 0.00 0.00 -1.32 -1.20 -0.42 115.64 110.23 1cwv s THR 922 Ca -0.13 -0.55 0.00 0.00 -1.21 0.00 0.00 61.69 59.79 1cwv s THR 922 Cb 0.01 -2.26 0.00 0.00 -1.51 0.00 0.00 72.50 68.74 1cwv s THR 922 CO 0.83 0.00 0.16 0.59 -2.21 0.00 0.00 174.62 173.99 1cwv n ASN 923 N -0.69 0.12 0.00 8.08 3.02 -1.26 -4.78 115.26 119.75 1cwv n ASN 923 Ca -0.05 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 1cwv n ASN 923 Cb 0.61 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 1cwv n ASN 923 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cwv n GLY 924 N -0.01 3.27 3.65 7.41 0.00 -1.25 -5.06 105.19 113.18 1cwv n GLY 924 Ca 0.00 -0.96 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 1cwv n GLY 924 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cwv s THR 925 N -0.06 1.87 -0.02 2.61 -4.23 -1.26 -4.73 115.64 109.82 1cwv s THR 925 Ca 0.00 -1.99 -0.27 0.00 -1.18 0.00 0.00 61.69 58.25 1cwv s THR 925 Cb 0.00 -2.86 -0.04 0.00 1.34 0.00 0.00 72.50 70.94 1cwv s THR 925 CO 0.00 0.00 0.86 -0.60 -0.54 0.00 0.00 174.62 174.34 1cwv s ARG 926 N -3.74 4.52 -0.28 3.99 6.06 -1.26 -4.39 118.95 123.84 1cwv s ARG 926 Ca 0.30 1.20 -0.37 0.00 -2.50 0.00 0.00 55.73 54.36 1cwv s ARG 926 Cb 0.09 -3.44 0.16 0.00 0.06 0.00 0.00 34.95 31.81 1cwv s ARG 926 CO 0.16 0.03 1.37 0.00 -2.50 0.00 0.00 175.30 174.35 1cwv s ALA 927 N 0.81 -2.18 -1.57 6.12 0.00 0.25 -5.01 121.76 120.17 1cwv s ALA 927 Ca 0.45 1.89 -0.10 0.00 0.00 0.00 0.00 51.96 54.21 1cwv s ALA 927 Cb -0.20 -0.55 -0.08 0.00 0.00 0.00 0.00 23.12 22.29 1cwv s ALA 927 CO 0.24 -0.50 2.85 -0.35 0.00 0.00 0.00 175.76 178.00 1cwv n PRO 928 N 0.06 3.53 -0.75 0.00 -0.04 -1.26 -3.04 135.00 133.50 1cwv n PRO 928 Ca 0.04 -2.18 0.08 0.00 -0.04 0.00 0.00 63.50 61.40 1cwv n PRO 928 Cb 0.57 -2.82 0.38 0.00 -0.04 0.00 0.00 33.50 31.59 1cwv n PRO 928 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1cwv n ASP 929 N 3.83 5.21 0.00 3.54 5.68 -1.26 -4.83 116.55 128.72 1cwv n ASP 929 Ca 0.75 -2.68 0.00 0.00 -0.50 0.00 0.00 54.79 52.36 1cwv n ASP 929 Cb 0.24 -0.63 0.00 0.00 -1.14 0.00 0.00 41.12 39.58 1cwv n ASP 929 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1cwv n GLY 930 N 0.89 0.32 3.89 6.12 0.00 -1.26 -5.01 105.19 110.13 1cwv n GLY 930 Ca 0.27 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.05 1cwv n GLY 930 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cwv s THR 931 N -1.69 4.91 0.06 2.61 -4.23 -1.26 -4.54 115.64 111.49 1cwv s THR 931 Ca 0.00 -1.03 -0.27 0.00 -1.18 0.00 0.00 61.69 59.21 1cwv s THR 931 Cb 0.00 -3.59 -0.14 0.00 1.34 0.00 0.00 72.50 70.11 1cwv s THR 931 CO 0.00 -0.22 1.42 0.25 -0.54 0.00 0.00 174.62 175.52 1cwv h LEU 932 N 1.77 -0.99 -0.91 4.79 5.85 -0.74 -0.79 115.31 124.30 1cwv h LEU 932 Ca -0.49 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.20 1cwv h LEU 932 Cb 1.22 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 42.54 1cwv h LEU 932 CO 0.63 -0.53 -0.27 -0.25 -0.34 0.00 0.00 178.44 177.68 1cwv h TRP 933 N -0.82 0.55 -0.90 1.25 7.01 -0.99 -0.96 115.95 121.09 1cwv h TRP 933 Ca -0.06 -0.12 -0.02 0.00 2.11 0.00 0.00 58.89 60.80 1cwv h TRP 933 Cb 0.69 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.57 1cwv h TRP 933 CO -0.14 0.71 0.48 0.78 -2.79 0.00 0.00 178.44 177.49 1cwv h GLY 934 N 1.03 1.34 0.84 2.65 0.00 -1.71 0.27 103.07 107.49 1cwv h GLY 934 Ca 0.06 -0.62 -0.28 0.00 0.00 0.00 0.00 47.33 46.49 1cwv h GLY 934 CO 0.05 0.59 -1.33 0.83 0.00 0.00 0.00 176.54 176.68 1cwv h GLU 935 N 1.26 0.36 0.00 4.80 5.08 -1.00 0.70 114.58 125.79 1cwv h GLU 935 Ca 0.31 -0.62 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1cwv h GLU 935 Cb 0.04 0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1cwv h GLU 935 CO -0.05 1.30 -1.53 0.91 -1.00 0.00 0.00 179.01 178.64 1cwv n TRP 936 N -3.87 0.00 -4.16 4.33 7.02 -0.38 -4.90 117.44 115.49 1cwv n TRP 936 Ca -0.20 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.28 1cwv n TRP 936 Cb 0.96 -0.28 0.00 0.00 -2.42 0.00 0.00 31.31 29.57 1cwv n TRP 936 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1cwv n GLY 937 N 1.69 -1.32 3.69 6.99 0.00 0.95 -4.76 105.19 112.43 1cwv n GLY 937 Ca -0.02 -1.27 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 1cwv n GLY 937 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1cwv n SER 938 N -0.26 3.98 0.30 1.61 2.88 -1.25 -4.60 113.62 116.27 1cwv n SER 938 Ca 0.00 0.99 0.18 0.00 -1.33 0.00 0.00 58.87 58.71 1cwv n SER 938 Cb 0.00 -1.53 0.95 0.00 -0.75 0.00 0.00 64.21 62.88 1cwv n SER 938 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1cwv h LEU 939 N 8.46 0.00 -1.99 2.46 3.38 -1.86 -2.19 115.31 123.57 1cwv h LEU 939 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1cwv h LEU 939 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1cwv h LEU 939 CO 0.95 0.03 0.08 0.71 0.09 0.00 0.00 178.44 180.30 1cwv h THR 940 N 0.00 0.00 -0.01 0.22 1.35 -1.83 -0.37 112.91 112.27 1cwv h THR 940 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1cwv h THR 940 Cb 0.16 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 1cwv h THR 940 CO 0.00 0.00 -0.05 0.00 -0.25 0.00 0.00 175.52 175.23 1cwv n ALA 941 N -1.87 2.69 -0.06 6.62 0.00 -0.82 -4.16 120.51 122.90 1cwv n ALA 941 Ca -0.02 -0.30 -0.07 0.00 0.00 0.00 0.00 53.44 53.05 1cwv n ALA 941 Cb 0.13 -1.33 -0.07 0.00 0.00 0.00 0.00 19.45 18.17 1cwv n ALA 941 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1cwv n TYR 942 N -0.61 0.00 -3.88 0.00 4.02 -0.15 -5.10 117.16 111.44 1cwv n TYR 942 Ca 0.19 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.99 1cwv n TYR 942 Cb 0.25 -0.51 -0.00 0.00 -0.02 0.00 0.00 39.34 39.06 1cwv n TYR 942 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1cwv s SER 943 N -4.74 0.05 -0.33 7.72 1.04 -1.23 -4.93 113.70 111.28 1cwv s SER 943 Ca -0.11 -1.03 0.04 0.00 0.48 0.00 0.00 55.95 55.33 1cwv s SER 943 Cb 0.04 0.77 0.54 0.00 0.10 0.00 0.00 66.02 67.47 1cwv s SER 943 CO 0.36 -1.50 1.69 -1.20 0.98 0.00 0.00 173.24 173.58 1cwv n SER 944 N -1.07 3.73 -0.00 7.02 7.64 -1.26 -3.95 113.62 125.73 1cwv n SER 944 Ca -0.05 -3.20 0.07 0.00 1.01 0.00 0.00 58.87 56.70 1cwv n SER 944 Cb 0.60 -0.75 -0.09 0.00 -1.01 0.00 0.00 64.21 62.96 1cwv n SER 944 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1cwv n ASP 945 N -0.64 0.76 -4.14 6.43 8.00 -1.26 -4.92 116.55 120.78 1cwv n ASP 945 Ca 0.44 -0.80 -0.31 0.00 0.71 0.00 0.00 54.79 54.83 1cwv n ASP 945 Cb 1.37 1.04 -0.17 0.00 -0.02 0.00 0.00 41.12 43.35 1cwv n ASP 945 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1cwv s TRP 946 N -2.46 2.41 0.28 1.24 0.52 -1.25 -4.96 118.94 114.71 1cwv s TRP 946 Ca 0.05 -1.17 0.08 0.00 0.02 0.00 0.00 56.10 55.08 1cwv s TRP 946 Cb 0.11 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.73 1cwv s TRP 946 CO 0.62 -0.54 0.12 -0.65 0.02 0.00 0.00 176.95 176.52 1cwv s GLN 947 N 0.82 2.60 0.50 4.98 -0.21 -1.26 -4.31 119.66 122.78 1cwv s GLN 947 Ca -0.08 -1.27 -0.22 0.00 0.02 0.00 0.00 55.36 53.81 1cwv s GLN 947 Cb -0.16 -2.35 -0.06 0.00 1.00 0.00 0.00 33.01 31.44 1cwv s GLN 947 CO -0.01 0.33 1.20 -1.12 -2.12 0.00 0.00 175.29 173.57 1cwv s SER 948 N -3.79 5.84 0.00 5.90 0.01 -1.26 -4.90 113.70 115.51 1cwv s SER 948 Ca 0.34 2.38 0.00 0.00 1.31 0.00 0.00 55.95 59.98 1cwv s SER 948 Cb -0.06 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1cwv s SER 948 CO 0.23 -1.15 0.00 0.61 0.41 0.00 0.00 173.24 173.34 1cwv n GLY 949 N 0.47 0.59 3.77 3.44 0.00 -1.26 -5.01 105.19 107.19 1cwv n GLY 949 Ca 0.09 -1.81 -0.39 0.00 0.00 0.00 0.00 46.02 43.91 1cwv n GLY 949 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cwv s GLU 950 N -1.86 4.34 -0.02 1.61 2.56 -1.26 -1.71 118.70 122.37 1cwv s GLU 950 Ca 0.00 0.83 0.06 0.00 0.00 0.00 0.00 54.97 55.85 1cwv s GLU 950 Cb 0.00 -3.32 -0.01 0.00 2.00 0.00 0.00 34.13 32.80 1cwv s GLU 950 CO 0.00 0.43 -0.19 0.71 -0.56 0.00 0.00 175.26 175.65 1cwv s TYR 951 N -0.45 1.73 0.14 5.30 1.51 -0.12 -1.26 117.35 124.21 1cwv s TYR 951 Ca 0.32 -0.34 -0.30 0.00 -1.01 0.00 0.00 57.07 55.74 1cwv s TYR 951 Cb -0.19 -1.12 -0.07 0.00 -0.11 0.00 0.00 41.96 40.47 1cwv s TYR 951 CO 0.19 -0.04 1.20 -1.58 -1.11 0.00 0.00 175.55 174.22 1cwv s TRP 952 N -0.43 3.43 0.29 2.71 0.52 0.00 0.29 118.94 125.75 1cwv s TRP 952 Ca 0.07 1.37 0.05 0.00 0.02 0.00 0.00 56.10 57.60 1cwv s TRP 952 Cb -0.08 -3.43 -0.06 0.00 -1.15 0.00 0.00 33.47 28.75 1cwv s TRP 952 CO -0.01 -1.27 0.01 0.14 0.02 0.00 0.00 176.95 175.85 1cwv s VAL 953 N 0.33 1.32 -0.08 4.03 -7.23 -0.82 -3.88 120.40 114.06 1cwv s VAL 953 Ca 0.55 -2.04 0.04 0.00 -1.81 0.00 0.00 61.98 58.71 1cwv s VAL 953 Cb -0.32 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.01 1cwv s VAL 953 CO 0.34 -0.16 -0.20 -0.75 -0.31 0.00 0.00 175.10 174.02 1cwv s LYS 954 N -3.83 2.86 -0.25 4.82 2.20 0.81 -1.72 119.74 124.63 1cwv s LYS 954 Ca 0.33 -0.81 -0.15 0.00 -0.36 0.00 0.00 55.97 54.97 1cwv s LYS 954 Cb 0.07 -2.34 -0.11 0.00 -1.51 0.00 0.00 37.83 33.93 1cwv s LYS 954 CO 0.13 0.33 -0.31 1.17 -0.36 0.00 0.00 175.35 176.31 1cwv n LYS 955 N 3.11 0.57 -3.87 4.03 4.81 -0.42 0.76 118.16 127.15 1cwv n LYS 955 Ca -0.18 0.28 -0.16 0.00 -0.87 0.00 0.00 58.31 57.38 1cwv n LYS 955 Cb 0.52 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 34.01 1cwv n LYS 955 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1cwv n THR 956 N -4.31 0.00 0.25 3.15 -2.24 -0.89 -4.92 114.28 105.32 1cwv n THR 956 Ca -0.45 -2.00 0.09 0.00 -2.27 0.00 0.00 64.05 59.43 1cwv n THR 956 Cb 0.79 1.03 0.66 0.00 -2.10 0.00 0.00 70.33 70.71 1cwv n THR 956 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1cwv h SER 957 N 1.75 0.00 0.00 3.42 0.02 -2.03 -3.12 113.55 113.59 1cwv h SER 957 Ca -0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1cwv h SER 957 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1cwv h SER 957 CO 0.30 0.10 -1.23 0.35 -1.14 0.00 0.00 176.83 175.21 1cwv n THR 958 N -4.12 0.00 -3.37 -2.27 -2.24 -1.26 -4.93 114.28 96.09 1cwv n THR 958 Ca -0.03 -0.20 -0.45 0.00 -2.27 0.00 0.00 64.05 61.11 1cwv n THR 958 Cb 0.18 0.41 -0.07 0.00 -2.10 0.00 0.00 70.33 68.75 1cwv n THR 958 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1cwv s ASP 959 N -2.76 6.13 -0.02 3.42 -1.08 -1.18 -5.06 116.67 116.12 1cwv s ASP 959 Ca -0.02 -1.54 -0.03 0.00 -0.52 0.00 0.00 52.55 50.44 1cwv s ASP 959 Cb 0.05 -2.18 -0.04 0.00 -1.46 0.00 0.00 42.92 39.29 1cwv s ASP 959 CO 0.33 -0.73 0.16 -0.36 0.52 0.00 0.00 175.17 175.09 1cwv s PHE 960 N 1.60 3.51 0.05 -5.34 0.40 -1.26 -1.30 117.98 115.64 1cwv s PHE 960 Ca 0.04 0.35 0.00 0.00 -0.60 0.00 0.00 56.93 56.72 1cwv s PHE 960 Cb -0.27 -1.83 0.00 0.00 0.51 0.00 0.00 43.02 41.44 1cwv s PHE 960 CO 0.05 0.64 0.01 -1.91 0.70 0.00 0.00 175.22 174.71 1cwv n GLU 961 N 1.09 1.74 -4.01 0.44 2.13 -0.70 -4.85 120.64 116.48 1cwv n GLU 961 Ca -0.12 -0.36 -0.08 0.00 0.66 0.00 0.00 57.16 57.26 1cwv n GLU 961 Cb 0.53 0.08 -0.10 0.00 0.27 0.00 0.00 31.44 32.22 1cwv n GLU 961 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 1cwv s THR 962 N -0.91 0.16 -0.03 6.31 -1.32 -1.21 -1.95 115.64 116.69 1cwv s THR 962 Ca 0.01 -1.32 0.02 0.00 -1.21 0.00 0.00 61.69 59.19 1cwv s THR 962 Cb -0.00 -0.91 0.01 0.00 -1.51 0.00 0.00 72.50 70.08 1cwv s THR 962 CO 0.01 -0.73 -0.08 -0.32 -2.21 0.00 0.00 174.62 171.29 1cwv s MET 963 N -2.72 0.94 -0.12 7.08 1.75 0.14 -2.09 119.30 124.28 1cwv s MET 963 Ca -0.04 -0.27 -0.29 0.00 -1.25 0.00 0.00 55.69 53.84 1cwv s MET 963 Cb -0.01 -0.88 -0.01 0.00 2.84 0.00 0.00 34.83 36.77 1cwv s MET 963 CO -0.05 0.08 0.97 1.21 -0.65 0.00 0.00 175.02 176.57 1cwv s ASN 964 N 0.31 7.18 0.29 1.11 2.47 -0.29 -0.94 114.94 125.07 1cwv s ASN 964 Ca -0.05 1.45 0.02 0.00 0.42 0.00 0.00 52.86 54.70 1cwv s ASN 964 Cb -0.09 -2.53 0.45 0.00 -1.45 0.00 0.00 41.25 37.63 1cwv s ASN 964 CO 0.01 -0.44 1.78 -0.03 -3.72 0.00 0.00 177.10 174.69 1cwv h MET 965 N 7.15 0.58 0.00 0.43 1.85 -1.67 -0.46 114.93 122.82 1cwv h MET 965 Ca -0.30 -0.17 -0.11 0.00 -0.61 0.00 0.00 59.70 58.51 1cwv h MET 965 Cb 1.14 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 33.09 1cwv h MET 965 CO 0.86 0.68 -1.04 -0.44 -0.40 0.00 0.00 176.91 176.56 1cwv h ASP 966 N 0.54 0.00 0.00 1.39 3.32 -1.92 -3.34 116.42 116.40 1cwv h ASP 966 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1cwv h ASP 966 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1cwv h ASP 966 CO 0.03 0.41 -1.02 0.35 -1.72 0.00 0.00 179.24 177.29 1cwv n THR 967 N -2.94 0.00 -1.40 0.35 -2.24 -1.21 -4.82 114.28 102.01 1cwv n THR 967 Ca -0.04 -0.12 -0.14 0.00 -2.27 0.00 0.00 64.05 61.47 1cwv n THR 967 Cb 0.74 0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 69.76 1cwv n THR 967 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cwv n GLY 968 N 1.43 1.35 3.77 3.38 0.00 -0.18 -4.92 105.19 110.01 1cwv n GLY 968 Ca 0.02 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1cwv n GLY 968 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cwv s ALA 969 N -2.23 3.50 0.01 4.61 0.00 -1.23 -3.93 121.76 122.49 1cwv s ALA 969 Ca 0.00 0.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.96 1cwv s ALA 969 Cb 0.00 -2.74 -0.05 0.00 0.00 0.00 0.00 23.12 20.33 1cwv s ALA 969 CO 0.00 0.22 0.27 -1.17 0.00 0.00 0.00 175.76 175.08 1cwv s LEU 970 N -0.44 4.37 -0.24 0.00 2.96 -1.26 -1.14 118.68 122.93 1cwv s LEU 970 Ca 0.31 0.55 -0.04 0.00 -0.22 0.00 0.00 54.13 54.74 1cwv s LEU 970 Cb -0.19 -2.69 0.13 0.00 0.50 0.00 0.00 46.19 43.94 1cwv s LEU 970 CO 0.18 0.25 0.43 0.00 -1.32 0.00 0.00 176.35 175.89 1cwv s GLN 971 N -1.79 0.39 -0.22 1.98 0.00 -0.89 -5.01 119.66 114.12 1cwv s GLN 971 Ca 0.28 0.77 -0.18 0.00 -0.00 0.00 0.00 55.36 56.23 1cwv s GLN 971 Cb -0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 33.01 32.79 1cwv s GLN 971 CO 0.16 -0.52 0.52 -1.25 0.00 0.00 0.00 175.29 174.20 1cwv s PRO 972 N 2.63 4.16 0.00 9.60 0.04 -1.26 -3.35 135.00 146.81 1cwv s PRO 972 Ca 0.10 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1cwv s PRO 972 Cb -0.14 -3.59 0.00 0.00 0.04 0.00 0.00 34.50 30.81 1cwv s PRO 972 CO -0.16 -0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.08 1cwv n GLY 973 N 4.03 -1.43 3.55 0.56 0.00 -1.26 -5.09 105.19 105.56 1cwv n GLY 973 Ca -0.04 0.56 -0.39 0.00 0.00 0.00 0.00 46.02 46.15 1cwv n GLY 973 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cwv s PRO 974 N 0.00 2.69 -1.16 1.61 0.04 -1.26 -4.94 135.00 131.98 1cwv s PRO 974 Ca 0.00 0.67 -0.12 0.00 0.04 0.00 0.00 61.00 61.59 1cwv s PRO 974 Cb 0.00 -4.37 0.20 0.00 0.04 0.00 0.00 34.50 30.37 1cwv s PRO 974 CO 0.00 -2.66 1.31 0.00 0.04 0.00 0.00 177.00 175.69 1cwv s ALA 975 N 8.89 4.22 0.00 8.56 0.00 -1.26 -4.87 121.76 137.30 1cwv s ALA 975 Ca 0.68 -3.50 0.00 0.00 0.00 0.00 0.00 51.96 49.14 1cwv s ALA 975 Cb -0.13 -3.93 0.00 0.00 0.00 0.00 0.00 23.12 19.05 1cwv s ALA 975 CO 0.22 -2.59 0.00 0.66 0.00 0.00 0.00 175.76 174.05 1cwv n TYR 976 N 4.70 0.00 -4.44 0.00 4.02 -1.26 -4.95 117.16 115.23 1cwv n TYR 976 Ca 0.32 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.98 1cwv n TYR 976 Cb 0.42 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.64 1cwv n TYR 976 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1cwv s LEU 977 N 0.00 2.58 0.04 7.72 1.43 -1.26 -4.59 118.68 124.59 1cwv s LEU 977 Ca 0.00 -1.02 -0.28 0.00 -1.03 0.00 0.00 54.13 51.80 1cwv s LEU 977 Cb 0.00 -1.00 0.09 0.00 0.03 0.00 0.00 46.19 45.32 1cwv s LEU 977 CO 0.00 -0.01 1.00 0.00 0.23 0.00 0.00 176.35 177.57 1cwv s ALA 978 N -2.59 -1.84 0.30 4.21 0.00 -0.18 -4.88 121.76 116.78 1cwv s ALA 978 Ca 0.28 0.67 -0.28 0.00 0.00 0.00 0.00 51.96 52.63 1cwv s ALA 978 Cb -0.04 0.45 -0.09 0.00 0.00 0.00 0.00 23.12 23.43 1cwv s ALA 978 CO 0.13 -0.87 0.98 -0.06 0.00 0.00 0.00 175.76 175.94 1cwv s PHE 979 N -3.03 3.71 -0.21 0.00 2.99 -0.39 -1.25 117.98 119.82 1cwv s PHE 979 Ca 0.10 1.80 -0.29 0.00 0.00 0.00 0.00 56.93 58.53 1cwv s PHE 979 Cb -0.00 -3.03 0.00 0.00 0.00 0.00 0.00 43.02 39.99 1cwv s PHE 979 CO -0.03 0.06 1.09 -1.25 -0.00 0.00 0.00 175.22 175.09 1cwv s PRO 980 N -1.74 4.26 -0.40 0.24 0.04 -1.26 -0.82 135.00 135.33 1cwv s PRO 980 Ca 0.47 1.43 -0.07 0.00 0.04 0.00 0.00 61.00 62.88 1cwv s PRO 980 Cb -0.24 -3.66 0.08 0.00 0.04 0.00 0.00 34.50 30.72 1cwv s PRO 980 CO 0.30 -0.63 0.20 -1.17 0.04 0.00 0.00 177.00 175.74 1cwv s LEU 981 N 3.19 4.95 0.11 -3.56 2.96 -1.25 -3.29 118.68 121.79 1cwv s LEU 981 Ca 0.47 -1.56 -0.04 0.00 -0.22 0.00 0.00 54.13 52.77 1cwv s LEU 981 Cb -0.17 -1.91 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 1cwv s LEU 981 CO 0.09 -0.49 0.33 0.00 -1.32 0.00 0.00 176.35 174.96 1cwv s ALA 983 N -1.57 -0.25 -0.24 0.00 0.00 -0.69 -1.05 121.76 117.96 1cwv s ALA 983 Ca 0.38 0.67 -0.06 0.00 0.00 0.00 0.00 51.96 52.94 1cwv s ALA 983 Cb -0.13 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 1cwv s ALA 983 CO 0.24 -0.16 0.04 -1.17 0.00 0.00 0.00 175.76 174.71 1cwv s LEU 984 N 1.19 3.34 0.18 0.00 2.96 0.70 -2.75 118.68 124.30 1cwv s LEU 984 Ca -0.09 -0.23 -0.30 0.00 -0.22 0.00 0.00 54.13 53.29 1cwv s LEU 984 Cb -0.12 -1.88 -0.08 0.00 0.50 0.00 0.00 46.19 44.61 1cwv s LEU 984 CO -0.06 -0.01 1.17 -0.94 -1.32 0.00 0.00 176.35 175.19 1cwv s SER 985 N 1.47 7.14 0.00 3.68 1.04 -0.55 0.13 113.70 126.61 1cwv s SER 985 Ca 0.06 2.18 0.00 0.00 0.48 0.00 0.00 55.95 58.67 1cwv s SER 985 Cb -0.15 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.37 1cwv s SER 985 CO 0.02 -0.33 0.08 2.30 0.98 0.00 0.00 173.24 176.29