#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgw s SER 502 N 0.00 3.53 0.00 0.00 0.01 -1.26 -4.47 113.70 111.51 2hgw s SER 502 Ca 0.00 -2.10 0.15 0.00 1.31 0.00 0.00 55.95 55.30 2hgw s SER 502 Cb 0.00 -0.72 0.02 0.00 0.21 0.00 0.00 66.02 65.52 2hgw s SER 502 CO 0.00 -0.34 0.83 -1.20 0.41 0.00 0.00 173.24 172.94 2hgw n SER 503 N 4.20 1.65 -1.17 2.44 7.64 -1.26 -5.01 113.62 122.11 2hgw n SER 503 Ca 0.05 -1.33 0.00 0.00 1.01 0.00 0.00 58.87 58.61 2hgw n SER 503 Cb 0.38 0.38 -0.00 0.00 -1.01 0.00 0.00 64.21 63.96 2hgw n SER 503 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2hgw n SER 504 N 0.03 -6.31 -4.85 6.43 2.88 -1.26 -4.99 113.62 105.55 2hgw n SER 504 Ca 0.06 1.40 -0.32 0.00 -1.33 0.00 0.00 58.87 58.69 2hgw n SER 504 Cb 0.32 -3.55 -0.02 0.00 -0.75 0.00 0.00 64.21 60.21 2hgw n SER 504 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2hgw s PHE 505 N -5.04 3.51 0.00 0.66 -0.71 -1.26 -4.90 117.98 110.24 2hgw s PHE 505 Ca 0.00 1.36 0.08 0.00 -1.04 0.00 0.00 56.93 57.33 2hgw s PHE 505 Cb 0.00 -2.73 -0.03 0.00 -1.21 0.00 0.00 43.02 39.06 2hgw s PHE 505 CO 0.00 -0.43 -0.23 0.15 -1.34 0.00 0.00 175.22 173.37 2hgw s LYS 506 N -4.38 2.07 0.54 1.99 1.02 -1.26 -4.81 119.74 114.91 2hgw s LYS 506 Ca 0.57 -0.96 0.32 0.00 0.02 0.00 0.00 55.97 55.92 2hgw s LYS 506 Cb -0.10 -2.10 1.42 0.00 -0.52 0.00 0.00 37.83 36.53 2hgw s LYS 506 CO 0.38 0.55 2.01 0.00 -0.92 0.00 0.00 175.35 177.37 2hgw h ALA 507 N 5.11 1.04 0.00 5.17 0.00 -1.97 -2.11 119.26 126.50 2hgw h ALA 507 Ca -0.45 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 2hgw h ALA 507 Cb 1.14 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2hgw h ALA 507 CO 0.47 0.07 -0.11 0.00 0.00 0.00 0.00 179.25 179.67 2hgw h ALA 508 N 1.94 1.01 -0.69 0.00 0.00 -1.96 -2.78 119.26 116.77 2hgw h ALA 508 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2hgw h ALA 508 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2hgw h ALA 508 CO 0.01 0.14 0.00 -0.25 0.00 0.00 0.00 179.25 179.15 2hgw n ASP 509 N -3.24 4.23 -4.70 0.00 10.43 -0.80 -4.98 116.55 117.50 2hgw n ASP 509 Ca 0.01 -2.19 -0.42 0.00 2.57 0.00 0.00 54.79 54.76 2hgw n ASP 509 Cb 0.39 -0.53 -0.03 0.00 1.84 0.00 0.00 41.12 42.79 2hgw n ASP 509 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 2hgw s LEU 510 N -1.34 4.35 -0.13 0.64 2.96 -1.05 -4.30 118.68 119.81 2hgw s LEU 510 Ca 0.49 2.39 -0.06 0.00 -0.22 0.00 0.00 54.13 56.73 2hgw s LEU 510 Cb 0.28 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.36 2hgw s LEU 510 CO 0.29 -0.80 0.09 -1.10 -1.32 0.00 0.00 176.35 173.51 2hgw s GLN 511 N 2.15 3.53 -0.15 1.98 -1.52 -0.54 -5.01 119.66 120.09 2hgw s GLN 511 Ca 0.69 -0.24 -0.00 0.00 -1.95 0.00 0.00 55.36 53.86 2hgw s GLN 511 Cb -0.38 -3.13 -0.01 0.00 -0.22 0.00 0.00 33.01 29.27 2hgw s GLN 511 CO 0.30 0.61 -0.14 -1.17 -0.25 0.00 0.00 175.29 174.65 2hgw s LEU 512 N -0.57 2.60 -0.30 2.90 2.96 -1.26 -1.41 118.68 123.60 2hgw s LEU 512 Ca 0.12 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 2hgw s LEU 512 Cb -0.12 -1.60 0.09 0.00 0.50 0.00 0.00 46.19 45.07 2hgw s LEU 512 CO 0.02 0.11 0.05 -0.70 -1.32 0.00 0.00 176.35 174.52 2hgw s GLU 513 N 0.68 1.06 0.45 1.98 2.12 -0.03 -5.00 118.70 119.95 2hgw s GLU 513 Ca -0.07 -1.21 -0.22 0.00 0.36 0.00 0.00 54.97 53.84 2hgw s GLU 513 Cb -0.15 -2.40 -0.09 0.00 0.26 0.00 0.00 34.13 31.74 2hgw s GLU 513 CO 0.02 -0.88 1.03 1.41 -0.54 0.00 0.00 175.26 176.30 2hgw s MET 514 N 1.42 3.99 0.34 4.30 1.75 -1.26 -3.68 119.30 126.16 2hgw s MET 514 Ca 0.06 1.38 -0.28 0.00 -1.25 0.00 0.00 55.69 55.61 2hgw s MET 514 Cb -0.18 -2.26 -0.09 0.00 2.84 0.00 0.00 34.83 35.13 2hgw s MET 514 CO -0.16 -0.27 1.17 -0.08 -0.65 0.00 0.00 175.02 175.03 2hgw s THR 515 N -1.89 3.19 0.06 10.11 -1.32 -1.26 -4.86 115.64 119.67 2hgw s THR 515 Ca 0.63 1.12 0.07 0.00 -1.21 0.00 0.00 61.69 62.30 2hgw s THR 515 Cb -0.17 -3.68 -0.22 0.00 -1.51 0.00 0.00 72.50 66.91 2hgw s THR 515 CO 0.22 0.21 1.07 1.56 -2.21 0.00 0.00 174.62 175.46 2hgw h GLN 516 N 3.25 0.03 -3.73 7.08 4.20 -1.99 -3.42 115.11 120.53 2hgw h GLN 516 Ca -0.48 -0.05 -0.61 0.00 0.06 0.00 0.00 58.65 57.57 2hgw h GLN 516 Cb 1.22 0.02 -0.40 0.00 0.30 0.00 0.00 27.48 28.62 2hgw h GLN 516 CO 0.65 0.88 -0.74 0.21 -0.67 0.00 0.00 178.83 179.16 2hgw s LYS 517 N -2.67 1.01 0.10 1.46 2.47 -1.26 -5.11 119.74 115.74 2hgw s LYS 517 Ca -0.02 -1.45 -0.31 0.00 -1.56 0.00 0.00 55.97 52.64 2hgw s LYS 517 Cb 0.09 -2.36 -0.08 0.00 -1.46 0.00 0.00 37.83 34.02 2hgw s LYS 517 CO 0.83 -1.01 1.36 -2.14 0.16 0.00 0.00 175.35 174.55 2hgw s PRO 518 N 1.20 4.33 0.99 4.03 0.02 -1.26 -5.01 135.00 139.30 2hgw s PRO 518 Ca 0.11 2.03 -0.12 0.00 0.02 0.00 0.00 61.00 63.05 2hgw s PRO 518 Cb -0.19 -3.27 0.18 0.00 0.02 0.00 0.00 34.50 31.24 2hgw s PRO 518 CO -0.16 -0.42 1.08 -1.01 -0.33 0.00 0.00 177.00 176.16 2hgw s HIS 519 N 1.13 1.96 -0.28 6.54 3.76 -1.26 -4.97 115.29 122.16 2hgw s HIS 519 Ca 0.64 1.22 -0.29 0.00 -0.15 0.00 0.00 55.06 56.48 2hgw s HIS 519 Cb -0.36 -3.19 -0.00 0.00 1.11 0.00 0.00 32.58 30.14 2hgw s HIS 519 CO 0.30 -2.92 1.36 0.15 -0.85 0.00 0.00 174.74 172.77 2hgw s LYS 520 N -4.80 3.91 0.26 1.40 1.02 -1.26 -5.02 119.74 115.24 2hgw s LYS 520 Ca 0.65 1.34 -0.30 0.00 0.02 0.00 0.00 55.97 57.69 2hgw s LYS 520 Cb -0.20 -3.90 -0.09 0.00 -0.52 0.00 0.00 37.83 33.11 2hgw s LYS 520 CO 0.59 -1.13 0.99 0.15 -0.92 0.00 0.00 175.35 175.03 2hgw s LYS 521 N 4.23 4.78 0.21 1.68 1.02 -1.26 -4.99 119.74 125.41 2hgw s LYS 521 Ca 0.59 1.58 -0.13 0.00 0.02 0.00 0.00 55.97 58.03 2hgw s LYS 521 Cb -0.18 -3.24 0.24 0.00 -0.52 0.00 0.00 37.83 34.13 2hgw s LYS 521 CO 0.24 0.42 1.63 -1.35 -0.92 0.00 0.00 175.35 175.36 2hgw h PRO 522 N 4.01 0.01 0.00 -1.68 0.11 -1.97 -3.49 132.00 128.99 2hgw h PRO 522 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2hgw h PRO 522 Cb 1.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2hgw h PRO 522 CO 0.68 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.88 2hgw n GLY 523 N -1.42 1.46 3.70 -0.55 0.00 -1.26 -4.77 105.19 102.35 2hgw n GLY 523 Ca 0.08 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 2hgw n GLY 523 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2hgw n PRO 524 N 1.37 2.70 0.00 1.61 -0.02 -1.26 -2.84 135.00 136.56 2hgw n PRO 524 Ca 0.00 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 2hgw n PRO 524 Cb 0.00 -2.83 0.00 0.00 -0.02 0.00 0.00 33.50 30.65 2hgw n PRO 524 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hgw n GLY 525 N 3.98 3.05 3.70 -1.23 0.00 -1.26 -5.03 105.19 108.39 2hgw n GLY 525 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2hgw n GLY 525 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hgw s GLU 526 N -0.47 4.34 0.10 1.61 0.41 -1.13 -4.98 118.70 118.57 2hgw s GLU 526 Ca 0.00 1.85 -0.31 0.00 -0.41 0.00 0.00 54.97 56.09 2hgw s GLU 526 Cb 0.00 -3.50 -0.10 0.00 -1.78 0.00 0.00 34.13 28.75 2hgw s GLU 526 CO 0.00 -0.46 1.87 -2.30 -0.49 0.00 0.00 175.26 173.88 2hgw n PRO 527 N 4.92 2.78 -3.41 0.39 -0.02 -1.26 -4.91 135.00 133.48 2hgw n PRO 527 Ca 0.11 1.01 -0.44 0.00 -2.02 0.00 0.00 63.50 62.16 2hgw n PRO 527 Cb 0.45 -2.92 -0.05 0.00 -0.02 0.00 0.00 33.50 30.96 2hgw n PRO 527 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2hgw s LEU 528 N 3.16 6.22 0.24 2.45 1.43 -1.26 -5.04 118.68 125.89 2hgw s LEU 528 Ca 0.84 -2.30 -0.30 0.00 -1.03 0.00 0.00 54.13 51.34 2hgw s LEU 528 Cb -0.48 -2.13 -0.09 0.00 0.03 0.00 0.00 46.19 43.52 2hgw s LEU 528 CO 0.39 -0.66 1.16 -0.69 0.23 0.00 0.00 176.35 176.78 2hgw s VAL 529 N 0.78 3.46 -0.00 -1.59 1.01 -1.26 -2.07 120.40 120.73 2hgw s VAL 529 Ca 0.11 1.36 -0.35 0.00 0.00 0.00 0.00 61.98 63.10 2hgw s VAL 529 Cb -0.20 -3.87 -0.14 0.00 0.00 0.00 0.00 36.38 32.17 2hgw s VAL 529 CO -0.03 0.28 1.67 0.33 0.00 0.00 0.00 175.10 177.34 2hgw n PHE 530 N 1.72 2.13 -2.20 5.22 7.35 -1.26 -3.07 117.46 127.36 2hgw n PHE 530 Ca 0.01 0.28 -0.18 0.00 -0.76 0.00 0.00 57.45 56.80 2hgw n PHE 530 Cb 0.44 -2.54 -0.03 0.00 0.35 0.00 0.00 39.48 37.71 2hgw n PHE 530 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2hgw n GLY 531 N 3.71 0.04 0.03 7.13 0.00 -1.26 -4.87 105.19 109.97 2hgw n GLY 531 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.22 2hgw n GLY 531 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hgw n LYS 532 N -2.76 1.35 -4.31 1.61 5.02 -1.17 -4.96 118.16 112.93 2hgw n LYS 532 Ca -0.20 -0.05 -0.34 0.00 -2.02 0.00 0.00 58.31 55.69 2hgw n LYS 532 Cb 0.64 -1.30 -0.12 0.00 -0.02 0.00 0.00 35.03 34.24 2hgw n LYS 532 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2hgw s THR 533 N -2.54 4.07 0.10 -0.18 2.01 -1.26 -5.11 115.64 112.73 2hgw s THR 533 Ca -0.05 -0.29 0.10 0.00 0.31 0.00 0.00 61.69 61.75 2hgw s THR 533 Cb 0.05 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 2hgw s THR 533 CO 0.50 0.48 -0.23 -0.36 -0.69 0.00 0.00 174.62 174.32 2hgw s PHE 534 N 0.39 2.41 0.92 4.92 0.40 -1.26 -3.92 117.98 121.84 2hgw s PHE 534 Ca -0.03 -0.33 -0.14 0.00 -0.60 0.00 0.00 56.93 55.83 2hgw s PHE 534 Cb -0.14 -1.33 0.15 0.00 0.51 0.00 0.00 43.02 42.22 2hgw s PHE 534 CO 0.02 0.31 1.21 0.95 0.70 0.00 0.00 175.22 178.41 2hgw s THR 535 N -1.03 1.96 0.36 0.64 -4.23 -1.02 -4.99 115.64 107.32 2hgw s THR 535 Ca 0.15 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.72 2hgw s THR 535 Cb -0.10 -2.88 0.17 0.00 1.34 0.00 0.00 72.50 71.02 2hgw s THR 535 CO 0.07 0.00 1.90 0.44 -0.54 0.00 0.00 174.62 176.49 2hgw h ASP 536 N -1.51 0.39 -2.49 3.99 3.32 -1.96 -3.43 116.42 114.74 2hgw h ASP 536 Ca -0.47 -0.07 -0.55 0.00 0.02 0.00 0.00 57.03 55.97 2hgw h ASP 536 Cb 1.30 -0.10 -0.14 0.00 0.22 0.00 0.00 39.33 40.61 2hgw h ASP 536 CO 0.53 0.48 -0.64 -1.00 -1.72 0.00 0.00 179.24 176.89 2hgw s HIS 537 N -4.93 2.19 0.06 4.55 3.76 -1.26 -0.63 115.29 119.04 2hgw s HIS 537 Ca -0.07 -0.72 -0.06 0.00 -0.15 0.00 0.00 55.06 54.05 2hgw s HIS 537 Cb 0.16 -1.39 -0.01 0.00 1.11 0.00 0.00 32.58 32.45 2hgw s HIS 537 CO 0.75 0.31 0.12 0.00 -0.85 0.00 0.00 174.74 175.07 2hgw s MET 538 N -3.75 0.72 -0.06 1.40 0.23 -0.40 -4.60 119.30 112.84 2hgw s MET 538 Ca 0.33 -0.92 -0.04 0.00 -1.03 0.00 0.00 55.69 54.03 2hgw s MET 538 Cb 0.07 0.28 -0.04 0.00 -1.53 0.00 0.00 34.83 33.61 2hgw s MET 538 CO 0.15 -0.20 0.16 -1.17 -2.03 0.00 0.00 175.02 171.93 2hgw s LEU 539 N -2.60 4.35 -0.07 0.18 2.96 -0.73 -1.69 118.68 121.09 2hgw s LEU 539 Ca 0.02 0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 54.29 2hgw s LEU 539 Cb 0.03 -2.37 0.04 0.00 0.50 0.00 0.00 46.19 44.40 2hgw s LEU 539 CO -0.08 0.33 0.16 -0.32 -1.32 0.00 0.00 176.35 175.11 2hgw s MET 540 N -1.54 0.09 -0.03 1.98 -2.45 0.30 -1.89 119.30 115.76 2hgw s MET 540 Ca 0.22 0.41 0.00 0.00 -1.25 0.00 0.00 55.69 55.07 2hgw s MET 540 Cb -0.12 -0.19 0.03 0.00 1.25 0.00 0.00 34.83 35.80 2hgw s MET 540 CO 0.12 -0.19 0.01 0.08 1.05 0.00 0.00 175.02 176.09 2hgw s VAL 541 N 1.35 0.15 0.02 10.11 1.01 0.54 -0.92 120.40 132.66 2hgw s VAL 541 Ca -0.07 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.04 2hgw s VAL 541 Cb -0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 2hgw s VAL 541 CO -0.06 0.15 0.03 -1.61 0.00 0.00 0.00 175.10 173.61 2hgw s GLU 542 N 1.18 2.85 0.06 2.72 2.02 -1.26 -0.30 118.70 125.96 2hgw s GLU 542 Ca -0.08 -0.61 0.05 0.00 0.02 0.00 0.00 54.97 54.36 2hgw s GLU 542 Cb -0.13 -2.71 -0.03 0.00 0.10 0.00 0.00 34.13 31.36 2hgw s GLU 542 CO -0.02 0.62 -0.15 -0.46 0.02 0.00 0.00 175.26 175.26 2hgw s TRP 543 N -1.17 1.29 0.21 1.61 -0.00 -0.15 -0.77 118.94 119.97 2hgw s TRP 543 Ca 0.22 -0.42 -0.02 0.00 -0.00 0.00 0.00 56.10 55.88 2hgw s TRP 543 Cb -0.12 -0.74 0.01 0.00 -0.00 0.00 0.00 33.47 32.62 2hgw s TRP 543 CO 0.13 0.07 0.31 0.27 -0.00 0.00 0.00 176.95 177.73 2hgw n ASN 544 N 1.46 -0.87 -0.01 5.86 0.23 -1.00 -1.19 115.26 119.74 2hgw n ASN 544 Ca -0.20 -2.13 0.18 0.00 -0.53 0.00 0.00 54.58 51.89 2hgw n ASN 544 Cb 0.54 1.60 0.64 0.00 -2.08 0.00 0.00 39.78 40.48 2hgw n ASN 544 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2hgw h ASP 545 N 1.19 0.10 0.54 0.53 3.32 -1.88 -1.58 116.42 118.64 2hgw h ASP 545 Ca -0.17 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.74 2hgw h ASP 545 Cb 0.72 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 2hgw h ASP 545 CO 0.23 0.05 -0.67 0.50 -1.72 0.00 0.00 179.24 177.63 2hgw h LYS 546 N 0.10 0.12 0.00 3.56 3.64 -1.92 -3.40 116.57 118.68 2hgw h LYS 546 Ca 0.25 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2hgw h LYS 546 Cb 0.86 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 2hgw h LYS 546 CO -0.03 0.74 0.00 0.41 -2.27 0.00 0.00 179.45 178.30 2hgw n GLY 547 N 0.40 0.99 3.78 5.01 0.00 -0.60 -4.51 105.19 110.26 2hgw n GLY 547 Ca -0.02 -1.91 -0.37 0.00 0.00 0.00 0.00 46.02 43.73 2hgw n GLY 547 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2hgw s TRP 548 N -2.25 3.64 0.66 1.61 0.52 -1.26 -2.38 118.94 119.47 2hgw s TRP 548 Ca 0.00 1.76 -0.03 0.00 0.02 0.00 0.00 56.10 57.85 2hgw s TRP 548 Cb 0.00 -2.96 0.14 0.00 -1.15 0.00 0.00 33.47 29.50 2hgw s TRP 548 CO 0.00 0.08 0.91 0.41 0.02 0.00 0.00 176.95 178.37 2hgw n GLY 549 N 0.55 0.21 3.74 0.98 0.00 0.05 -4.87 105.19 105.85 2hgw n GLY 549 Ca 0.02 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 2hgw n GLY 549 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hgw s GLN 550 N -4.86 4.56 0.41 1.61 -0.21 -1.26 -4.74 119.66 115.17 2hgw s GLN 550 Ca 0.58 1.80 -0.23 0.00 0.02 0.00 0.00 55.36 57.52 2hgw s GLN 550 Cb -0.03 -3.24 -0.09 0.00 1.00 0.00 0.00 33.01 30.65 2hgw s GLN 550 CO 0.39 0.04 1.04 -1.25 -2.12 0.00 0.00 175.29 173.39 2hgw s PRO 551 N -0.56 4.12 -0.03 2.91 0.04 -1.26 -4.71 135.00 135.52 2hgw s PRO 551 Ca 0.50 1.46 -0.03 0.00 0.04 0.00 0.00 61.00 62.97 2hgw s PRO 551 Cb -0.31 -2.46 0.01 0.00 0.04 0.00 0.00 34.50 31.77 2hgw s PRO 551 CO 0.37 -0.17 0.09 -0.98 0.04 0.00 0.00 177.00 176.35 2hgw s ARG 552 N -2.63 0.10 -0.40 4.56 1.70 -0.09 -1.46 118.95 120.73 2hgw s ARG 552 Ca 0.59 0.11 -0.15 0.00 -0.47 0.00 0.00 55.73 55.81 2hgw s ARG 552 Cb -0.20 0.05 0.01 0.00 -0.57 0.00 0.00 34.95 34.24 2hgw s ARG 552 CO 0.26 -0.01 0.32 0.42 -1.08 0.00 0.00 175.30 175.20 2hgw s ILE 553 N 0.03 5.23 0.28 4.99 1.01 -0.50 -0.54 121.20 131.70 2hgw s ILE 553 Ca -0.00 -0.51 0.07 0.00 0.00 0.00 0.00 60.65 60.20 2hgw s ILE 553 Cb -0.01 -3.91 -0.06 0.00 0.01 0.00 0.00 42.46 38.49 2hgw s ILE 553 CO 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 174.94 174.60 2hgw s GLN 554 N 1.78 1.57 0.65 2.79 -2.07 -0.68 -0.85 119.66 122.84 2hgw s GLN 554 Ca 0.07 -1.79 -0.17 0.00 -1.82 0.00 0.00 55.36 51.64 2hgw s GLN 554 Cb -0.18 -1.21 -0.00 0.00 -1.09 0.00 0.00 33.01 30.52 2hgw s GLN 554 CO 0.11 0.06 1.25 -2.14 -1.32 0.00 0.00 175.29 173.24 2hgw s PRO 555 N -3.71 2.56 -0.09 9.60 0.02 -1.24 -1.28 135.00 140.87 2hgw s PRO 555 Ca 0.29 1.91 -0.29 0.00 0.02 0.00 0.00 61.00 62.94 2hgw s PRO 555 Cb 0.03 -1.87 -0.07 0.00 0.02 0.00 0.00 34.50 32.62 2hgw s PRO 555 CO 0.12 -1.55 2.07 0.12 -0.33 0.00 0.00 177.00 177.43 2hgw s PHE 556 N -1.61 1.26 0.15 6.54 5.36 0.20 -4.59 117.98 125.28 2hgw s PHE 556 Ca 0.79 0.02 -0.06 0.00 -0.96 0.00 0.00 56.93 56.72 2hgw s PHE 556 Cb -0.33 -4.09 -0.02 0.00 -0.34 0.00 0.00 43.02 38.23 2hgw s PHE 556 CO 0.39 -4.81 0.20 1.14 -1.46 0.00 0.00 175.22 170.68 2hgw s GLN 557 N 5.32 1.07 0.60 10.12 -2.07 -1.26 -5.01 119.66 128.43 2hgw s GLN 557 Ca 0.93 -1.27 -0.17 0.00 -1.82 0.00 0.00 55.36 53.03 2hgw s GLN 557 Cb -0.38 0.33 -0.03 0.00 -1.09 0.00 0.00 33.01 31.84 2hgw s GLN 557 CO 0.38 -0.36 1.11 -0.80 -1.32 0.00 0.00 175.29 174.29 2hgw s ASN 558 N -3.00 5.50 0.11 12.60 0.01 -1.26 -5.03 114.94 123.87 2hgw s ASN 558 Ca 0.20 2.04 -0.17 0.00 -0.71 0.00 0.00 52.86 54.22 2hgw s ASN 558 Cb 0.05 -2.56 -0.07 0.00 0.41 0.00 0.00 41.25 39.08 2hgw s ASN 558 CO 0.01 -1.36 0.56 -0.76 -1.51 0.00 0.00 177.10 174.03 2hgw s LEU 559 N -4.34 4.42 -0.38 0.60 1.43 -1.26 -5.06 118.68 114.10 2hgw s LEU 559 Ca 0.69 1.16 -0.08 0.00 -1.03 0.00 0.00 54.13 54.87 2hgw s LEU 559 Cb -0.21 -3.09 0.06 0.00 0.03 0.00 0.00 46.19 42.98 2hgw s LEU 559 CO 0.34 0.18 0.19 -0.89 0.23 0.00 0.00 176.35 176.41 2hgw s THR 560 N -1.30 4.07 -0.03 5.49 2.01 -1.26 -5.08 115.64 119.54 2hgw s THR 560 Ca 0.34 -1.26 0.06 0.00 0.31 0.00 0.00 61.69 61.14 2hgw s THR 560 Cb -0.17 -3.40 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 2hgw s THR 560 CO 0.19 -0.36 -0.23 -0.76 -0.69 0.00 0.00 174.62 172.77 2hgw s LEU 561 N 1.42 2.03 0.38 4.42 1.02 -1.26 -5.13 118.68 121.56 2hgw s LEU 561 Ca 0.01 -0.43 -0.27 0.00 0.02 0.00 0.00 54.13 53.46 2hgw s LEU 561 Cb -0.21 -1.20 -0.09 0.00 0.02 0.00 0.00 46.19 44.70 2hgw s LEU 561 CO 0.03 0.26 1.31 -2.28 0.02 0.00 0.00 176.35 175.68 2hgw s HIS 562 N -0.37 2.89 0.66 0.29 5.65 -1.26 -4.90 115.29 118.25 2hgw s HIS 562 Ca 0.04 1.40 0.40 0.00 0.25 0.00 0.00 55.06 57.15 2hgw s HIS 562 Cb -0.10 -3.68 2.17 0.00 -1.18 0.00 0.00 32.58 29.78 2hgw s HIS 562 CO 0.01 -2.03 2.24 -1.35 -0.65 0.00 0.00 174.74 172.96 2hgw h PRO 563 N 2.94 0.00 -0.66 2.88 0.11 -1.98 -1.34 132.00 133.95 2hgw h PRO 563 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2hgw h PRO 563 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2hgw h PRO 563 CO 0.64 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.43 2hgw n ALA 564 N -2.06 2.63 -1.68 -0.75 0.00 -1.26 -4.94 120.51 112.45 2hgw n ALA 564 Ca -0.02 -1.26 -0.48 0.00 0.00 0.00 0.00 53.44 51.68 2hgw n ALA 564 Cb 0.16 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 2hgw n ALA 564 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2hgw n SER 565 N 1.29 3.24 0.26 0.00 2.88 -0.51 -3.43 113.62 117.36 2hgw n SER 565 Ca 0.23 1.02 0.16 0.00 -1.33 0.00 0.00 58.87 58.95 2hgw n SER 565 Cb 0.65 -1.38 0.88 0.00 -0.75 0.00 0.00 64.21 63.61 2hgw n SER 565 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2hgw h SER 566 N 7.82 0.00 0.54 -3.46 4.64 -1.65 -1.52 113.55 119.92 2hgw h SER 566 Ca -0.47 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.76 2hgw h SER 566 Cb 1.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 2hgw h SER 566 CO 0.92 0.00 -0.43 0.77 -0.87 0.00 0.00 176.83 177.23 2hgw h SER 567 N 0.00 0.00 0.42 4.97 4.64 -1.71 -1.33 113.55 120.54 2hgw h SER 567 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2hgw h SER 567 Cb 0.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2hgw h SER 567 CO 0.00 0.43 -1.64 0.18 -0.87 0.00 0.00 176.83 174.93 2hgw n LEU 568 N -3.86 0.40 -0.12 5.97 4.77 -0.58 -3.88 117.00 119.70 2hgw n LEU 568 Ca -0.01 0.16 -0.20 0.00 -0.03 0.00 0.00 56.01 55.93 2hgw n LEU 568 Cb 0.48 0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 2hgw n LEU 568 CO 0.39 0.02 -1.30 1.41 -1.33 0.00 0.00 177.39 176.57 2hgw n HIS 569 N -2.54 0.00 -1.07 -1.77 8.25 -1.15 -4.73 115.22 112.21 2hgw n HIS 569 Ca -0.07 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.49 2hgw n HIS 569 Cb 0.67 -0.91 0.18 0.00 1.12 0.00 0.00 29.99 31.05 2hgw n HIS 569 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2hgw n TYR 570 N -3.49 0.29 -3.99 4.41 4.01 -0.51 -5.01 117.16 112.86 2hgw n TYR 570 Ca -0.44 -0.99 -0.30 0.00 -0.16 0.00 0.00 57.90 56.01 2hgw n TYR 570 Cb 0.92 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 39.74 2hgw n TYR 570 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2hgw n SER 571 N -1.16 -2.86 -4.27 7.72 2.88 -1.15 -4.86 113.62 109.92 2hgw n SER 571 Ca 0.18 -0.90 -0.43 0.00 -1.33 0.00 0.00 58.87 56.38 2hgw n SER 571 Cb 0.72 -3.39 0.00 0.00 -0.75 0.00 0.00 64.21 60.79 2hgw n SER 571 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2hgw n LEU 572 N -4.48 5.67 -3.75 2.46 4.77 -1.17 -4.76 117.00 115.73 2hgw n LEU 572 Ca -0.07 -4.29 -0.13 0.00 -0.03 0.00 0.00 56.01 51.48 2hgw n LEU 572 Cb 0.57 -1.64 -0.10 0.00 -2.33 0.00 0.00 43.42 39.93 2hgw n LEU 572 CO 0.78 0.74 0.04 0.00 -1.33 0.00 0.00 177.39 177.62 2hgw s GLN 573 N 2.36 0.55 0.14 3.23 -2.07 -1.26 -0.27 119.66 122.34 2hgw s GLN 573 Ca 0.46 0.19 -0.11 0.00 -1.82 0.00 0.00 55.36 54.08 2hgw s GLN 573 Cb 0.04 0.25 0.00 0.00 -1.09 0.00 0.00 33.01 32.22 2hgw s GLN 573 CO 0.01 -0.12 0.31 -0.48 -1.32 0.00 0.00 175.29 173.70 2hgw s LEU 574 N -0.51 0.87 0.28 2.60 0.05 -0.82 -2.62 118.68 118.53 2hgw s LEU 574 Ca -0.06 -0.68 -0.11 0.00 0.05 0.00 0.00 54.13 53.33 2hgw s LEU 574 Cb -0.04 1.38 0.00 0.00 -2.05 0.00 0.00 46.19 45.49 2hgw s LEU 574 CO 0.02 -0.87 0.50 0.72 -0.55 0.00 0.00 176.35 176.17 2hgw s PHE 575 N -3.90 0.51 0.24 3.48 -0.71 -0.93 -2.19 117.98 114.47 2hgw s PHE 575 Ca 0.11 -0.87 0.00 0.00 -1.04 0.00 0.00 56.93 55.14 2hgw s PHE 575 Cb 0.03 0.17 -0.05 0.00 -1.21 0.00 0.00 43.02 41.97 2hgw s PHE 575 CO -0.05 -1.07 0.11 -1.21 -1.34 0.00 0.00 175.22 171.67 2hgw s GLU 576 N -3.66 1.34 -0.26 1.99 0.41 -0.49 -4.74 118.70 113.29 2hgw s GLU 576 Ca 0.24 -1.72 -0.07 0.00 -0.41 0.00 0.00 54.97 53.01 2hgw s GLU 576 Cb -0.01 -0.03 0.12 0.00 -1.78 0.00 0.00 34.13 32.43 2hgw s GLU 576 CO 0.12 -0.34 0.53 0.20 -0.49 0.00 0.00 175.26 175.28 2hgw s GLY 577 N -3.25 -0.59 0.10 -1.39 0.00 -1.26 -3.79 107.32 97.15 2hgw s GLY 577 Ca 0.38 1.87 -0.05 0.00 0.00 0.00 0.00 44.72 46.92 2hgw s GLY 577 CO 0.13 2.81 0.11 -3.16 0.00 0.00 0.00 173.10 173.00 2hgw s MET 578 N 2.76 0.86 0.05 2.90 0.23 -1.07 -4.90 119.30 120.13 2hgw s MET 578 Ca -0.00 -1.20 0.09 0.00 -1.03 0.00 0.00 55.69 53.55 2hgw s MET 578 Cb -0.13 0.29 -0.03 0.00 -1.53 0.00 0.00 34.83 33.43 2hgw s MET 578 CO -0.16 -0.25 -0.25 0.15 -2.03 0.00 0.00 175.02 172.47 2hgw s LYS 579 N -3.95 1.83 -0.10 3.16 1.02 -1.26 -0.64 119.74 119.81 2hgw s LYS 579 Ca 0.13 -1.10 0.01 0.00 0.02 0.00 0.00 55.97 55.03 2hgw s LYS 579 Cb 0.06 -2.01 -0.02 0.00 -0.52 0.00 0.00 37.83 35.34 2hgw s LYS 579 CO -0.05 0.51 -0.14 0.00 -0.92 0.00 0.00 175.35 174.75 2hgw s ALA 580 N -0.84 2.61 0.05 5.17 0.00 -0.08 -1.66 121.76 127.01 2hgw s ALA 580 Ca 0.12 -0.92 0.09 0.00 0.00 0.00 0.00 51.96 51.25 2hgw s ALA 580 Cb -0.10 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 2hgw s ALA 580 CO 0.03 0.35 -0.25 -0.06 0.00 0.00 0.00 175.76 175.83 2hgw s PHE 581 N 0.01 2.36 -0.19 0.00 0.40 0.11 -1.04 117.98 119.62 2hgw s PHE 581 Ca -0.04 -0.39 -0.02 0.00 -0.60 0.00 0.00 56.93 55.88 2hgw s PHE 581 Cb -0.14 -1.40 -0.01 0.00 0.51 0.00 0.00 43.02 41.98 2hgw s PHE 581 CO 0.04 0.15 -0.08 0.21 0.70 0.00 0.00 175.22 176.24 2hgw s LYS 582 N -1.28 3.35 0.27 0.44 2.20 -1.26 -0.72 119.74 122.74 2hgw s LYS 582 Ca 0.12 -0.66 -0.03 0.00 -0.36 0.00 0.00 55.97 55.05 2hgw s LYS 582 Cb -0.10 -2.87 0.06 0.00 -1.51 0.00 0.00 37.83 33.41 2hgw s LYS 582 CO 0.03 -0.08 0.36 0.41 -0.36 0.00 0.00 175.35 175.71 2hgw n GLY 583 N 4.42 -0.25 0.24 5.54 0.00 -1.06 -4.55 105.19 109.53 2hgw n GLY 583 Ca -0.18 -1.83 0.05 0.00 0.00 0.00 0.00 46.02 44.05 2hgw n GLY 583 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hgw h LYS 584 N 0.00 0.07 -0.06 1.61 1.79 -1.88 -2.54 116.57 115.57 2hgw h LYS 584 Ca -0.12 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 2hgw h LYS 584 Cb 0.38 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 2hgw h LYS 584 CO 0.10 0.20 0.00 -0.40 -1.08 0.00 0.00 179.45 178.27 2hgw n ASP 585 N -4.35 0.35 -0.10 0.86 5.75 -1.26 -4.89 116.55 112.91 2hgw n ASP 585 Ca -0.02 -1.89 -0.01 0.00 -0.01 0.00 0.00 54.79 52.86 2hgw n ASP 585 Cb 0.22 -0.04 -0.01 0.00 -1.03 0.00 0.00 41.12 40.26 2hgw n ASP 585 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2hgw n GLN 586 N -0.36 -1.58 -2.98 0.11 1.13 -0.96 -4.98 117.38 107.76 2hgw n GLN 586 Ca 0.05 0.46 -0.41 0.00 -1.94 0.00 0.00 57.00 55.16 2hgw n GLN 586 Cb 0.07 -4.67 -0.04 0.00 0.11 0.00 0.00 30.24 25.70 2hgw n GLN 586 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2hgw s GLN 587 N -1.75 4.36 -0.05 -1.09 -1.52 -1.26 -4.85 119.66 113.49 2hgw s GLN 587 Ca 0.00 0.92 -0.16 0.00 -1.95 0.00 0.00 55.36 54.17 2hgw s GLN 587 Cb 0.00 -3.51 -0.05 0.00 -0.22 0.00 0.00 33.01 29.22 2hgw s GLN 587 CO 0.00 -0.14 0.44 0.08 -0.25 0.00 0.00 175.29 175.42 2hgw s VAL 588 N 1.48 5.09 -0.04 1.09 1.01 -1.26 -2.55 120.40 125.22 2hgw s VAL 588 Ca 0.37 0.89 0.01 0.00 0.00 0.00 0.00 61.98 63.26 2hgw s VAL 588 Cb -0.17 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.47 2hgw s VAL 588 CO 0.15 0.47 -0.04 -0.13 0.00 0.00 0.00 175.10 175.55 2hgw s ARG 589 N -0.31 0.79 0.04 2.72 0.52 0.10 -1.28 118.95 121.53 2hgw s ARG 589 Ca 0.24 -0.10 -0.20 0.00 -0.52 0.00 0.00 55.73 55.16 2hgw s ARG 589 Cb -0.16 -0.80 -0.06 0.00 0.52 0.00 0.00 34.95 34.45 2hgw s ARG 589 CO 0.12 -0.07 0.57 -0.51 0.02 0.00 0.00 175.30 175.43 2hgw s LEU 590 N 0.86 4.49 -0.34 2.53 1.43 0.35 -0.72 118.68 127.28 2hgw s LEU 590 Ca -0.11 1.22 -0.24 0.00 -1.03 0.00 0.00 54.13 53.96 2hgw s LEU 590 Cb -0.14 -2.90 0.01 0.00 0.03 0.00 0.00 46.19 43.19 2hgw s LEU 590 CO 0.00 0.22 0.84 0.12 0.23 0.00 0.00 176.35 177.76 2hgw s PHE 591 N -0.80 3.14 -0.82 0.29 5.36 -0.66 -1.42 117.98 123.06 2hgw s PHE 591 Ca 0.29 0.73 -0.08 0.00 -0.96 0.00 0.00 56.93 56.92 2hgw s PHE 591 Cb -0.19 -3.42 0.01 0.00 -0.34 0.00 0.00 43.02 39.08 2hgw s PHE 591 CO 0.18 -0.70 0.15 0.54 -1.46 0.00 0.00 175.22 173.92 2hgw n ARG 592 N 6.47 -0.81 0.31 10.12 1.74 -0.07 -4.70 116.66 129.72 2hgw n ARG 592 Ca 0.05 -0.04 0.19 0.00 -0.77 0.00 0.00 57.85 57.28 2hgw n ARG 592 Cb 0.48 -1.66 1.03 0.00 -1.02 0.00 0.00 32.46 31.30 2hgw n ARG 592 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2hgw h PRO 593 N -0.45 0.00 -0.45 5.56 0.13 -1.81 -2.49 132.00 132.48 2hgw h PRO 593 Ca -0.39 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.70 2hgw h PRO 593 Cb 0.81 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 2hgw h PRO 593 CO 0.37 0.02 0.12 -1.49 -0.23 0.00 0.00 178.00 176.78 2hgw h TRP 594 N 0.00 0.68 -0.32 1.56 6.55 -1.95 -1.46 115.95 121.01 2hgw h TRP 594 Ca -0.00 -0.05 -0.13 0.00 0.95 0.00 0.00 58.89 59.66 2hgw h TRP 594 Cb 0.11 -0.21 -0.01 0.00 -0.86 0.00 0.00 29.16 28.20 2hgw h TRP 594 CO 0.00 0.58 -0.34 -0.07 -1.05 0.00 0.00 178.44 177.56 2hgw h LEU 595 N 0.66 0.75 -0.63 -4.49 4.07 -1.83 -1.30 115.31 112.55 2hgw h LEU 595 Ca 0.15 -0.31 -0.15 0.00 0.08 0.00 0.00 57.88 57.65 2hgw h LEU 595 Cb 0.23 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 2hgw h LEU 595 CO -0.00 1.02 -0.52 0.78 -1.08 0.00 0.00 178.44 178.64 2hgw h ASN 596 N 0.60 0.48 -0.25 -0.43 2.35 -1.55 -1.50 115.58 115.29 2hgw h ASN 596 Ca 0.06 -0.25 -0.11 0.00 -0.55 0.00 0.00 56.30 55.45 2hgw h ASN 596 Cb 0.86 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.08 2hgw h ASN 596 CO 0.08 0.92 -0.22 0.24 -1.65 0.00 0.00 177.43 176.79 2hgw h MET 597 N 0.34 0.72 -0.25 0.81 2.86 -1.04 -0.28 114.93 118.09 2hgw h MET 597 Ca 0.01 -0.28 -0.04 0.00 -2.06 0.00 0.00 59.70 57.33 2hgw h MET 597 Cb 1.03 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 2hgw h MET 597 CO 0.09 0.88 0.00 -0.44 1.06 0.00 0.00 176.91 178.50 2hgw h ASP 598 N 0.63 0.43 -0.60 1.22 3.32 -0.96 -2.45 116.42 117.99 2hgw h ASP 598 Ca 0.09 -0.31 -0.10 0.00 0.02 0.00 0.00 57.03 56.74 2hgw h ASP 598 Cb 0.71 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 2hgw h ASP 598 CO 0.05 0.63 0.00 -0.09 -1.72 0.00 0.00 179.24 178.12 2hgw h ARG 599 N 0.21 1.07 -0.51 3.56 2.43 -1.16 -2.60 114.38 117.38 2hgw h ARG 599 Ca 0.07 -0.34 -0.02 0.00 -0.81 0.00 0.00 59.98 58.89 2hgw h ARG 599 Cb 0.41 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 2hgw h ARG 599 CO 0.01 1.04 0.25 1.98 -1.51 0.00 0.00 179.97 181.75 2hgw h MET 600 N 0.98 0.73 -0.77 0.20 4.05 -1.00 -1.79 114.93 117.33 2hgw h MET 600 Ca 0.17 -0.10 -0.05 0.00 -0.28 0.00 0.00 59.70 59.44 2hgw h MET 600 Cb 0.55 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.19 2hgw h MET 600 CO 0.03 0.59 0.28 1.25 0.23 0.00 0.00 176.91 179.29 2hgw h LEU 601 N 0.68 1.08 -0.86 3.39 5.85 -1.34 -0.48 115.31 123.63 2hgw h LEU 601 Ca 0.18 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 2hgw h LEU 601 Cb 0.10 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 2hgw h LEU 601 CO -0.02 0.98 0.13 0.03 -0.34 0.00 0.00 178.44 179.22 2hgw h ARG 602 N 1.13 0.98 -0.33 1.25 3.08 -1.19 -1.37 114.38 117.93 2hgw h ARG 602 Ca 0.25 -0.23 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 2hgw h ARG 602 Cb 0.26 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2hgw h ARG 602 CO -0.02 0.88 -0.28 0.77 -1.07 0.00 0.00 179.97 180.26 2hgw h SER 603 N 0.93 0.71 -0.34 7.04 0.02 -0.93 -2.20 113.55 118.78 2hgw h SER 603 Ca 0.20 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 2hgw h SER 603 Cb 0.36 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2hgw h SER 603 CO 0.00 0.95 0.05 0.00 -1.14 0.00 0.00 176.83 176.70 2hgw h ALA 604 N 1.09 0.45 -0.56 3.77 0.00 -0.61 -2.82 119.26 120.59 2hgw h ALA 604 Ca 0.07 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2hgw h ALA 604 Cb 0.78 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2hgw h ALA 604 CO 0.06 0.15 0.08 0.52 0.00 0.00 0.00 179.25 180.07 2hgw h MET 605 N 0.39 0.89 -0.17 0.00 2.07 -1.18 0.41 114.93 117.34 2hgw h MET 605 Ca 0.10 -0.21 -0.06 0.00 -2.07 0.00 0.00 59.70 57.46 2hgw h MET 605 Cb 0.36 -0.12 -0.01 0.00 -1.87 0.00 0.00 31.60 29.96 2hgw h MET 605 CO 0.01 0.84 -0.14 -0.09 1.07 0.00 0.00 176.91 178.59 2hgw h ARG 606 N 0.85 0.28 -0.67 1.72 9.65 -1.27 -2.63 114.38 122.30 2hgw h ARG 606 Ca 0.17 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 2hgw h ARG 606 Cb 0.38 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.93 2hgw h ARG 606 CO 0.01 0.42 0.00 1.28 2.80 0.00 0.00 179.97 184.48 2hgw n LEU 607 N -4.25 4.60 -2.70 3.80 4.77 -1.05 -4.94 117.00 117.23 2hgw n LEU 607 Ca -0.00 -2.35 -0.20 0.00 -0.03 0.00 0.00 56.01 53.43 2hgw n LEU 607 Cb 0.28 -0.56 0.01 0.00 -2.33 0.00 0.00 43.42 40.82 2hgw n LEU 607 CO 0.38 0.86 -0.14 0.00 -1.33 0.00 0.00 177.39 177.16 2hgw s LEU 609 N -6.21 4.11 0.46 0.00 1.43 0.10 -4.46 118.68 114.11 2hgw s LEU 609 Ca 0.14 0.72 -0.24 0.00 -1.03 0.00 0.00 54.13 53.72 2hgw s LEU 609 Cb -0.06 -3.52 -0.09 0.00 0.03 0.00 0.00 46.19 42.55 2hgw s LEU 609 CO 0.17 -0.14 1.10 -0.81 0.23 0.00 0.00 176.35 176.89 2hgw n PRO 610 N -0.68 1.47 -2.49 1.29 -0.04 -1.26 -4.28 135.00 129.01 2hgw n PRO 610 Ca -0.02 0.53 -0.31 0.00 -0.04 0.00 0.00 63.50 63.67 2hgw n PRO 610 Cb 0.53 -2.19 -0.02 0.00 -0.04 0.00 0.00 33.50 31.78 2hgw n PRO 610 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2hgw s SER 611 N -0.77 6.50 0.17 3.54 0.01 -1.26 -4.88 113.70 117.01 2hgw s SER 611 Ca 0.65 1.34 -0.07 0.00 1.31 0.00 0.00 55.95 59.18 2hgw s SER 611 Cb -0.51 -2.42 -0.02 0.00 0.21 0.00 0.00 66.02 63.28 2hgw s SER 611 CO 0.55 -0.57 0.23 0.72 0.41 0.00 0.00 173.24 174.59 2hgw s PHE 612 N -2.63 0.59 -0.22 2.43 -0.12 -1.26 -4.71 117.98 112.06 2hgw s PHE 612 Ca 0.55 -0.94 -0.21 0.00 -0.05 0.00 0.00 56.93 56.27 2hgw s PHE 612 Cb -0.10 -0.19 -0.02 0.00 -0.63 0.00 0.00 43.02 42.08 2hgw s PHE 612 CO 0.36 -0.69 0.67 0.34 -0.05 0.00 0.00 175.22 175.85 2hgw s ASP 613 N -3.01 6.69 0.26 1.98 -1.08 -1.26 -4.96 116.67 115.29 2hgw s ASP 613 Ca 0.22 0.85 -0.04 0.00 -0.52 0.00 0.00 52.55 53.06 2hgw s ASP 613 Cb 0.04 -2.36 0.34 0.00 -1.46 0.00 0.00 42.92 39.48 2hgw s ASP 613 CO 0.03 -0.34 1.91 0.11 0.52 0.00 0.00 175.17 177.40 2hgw h LYS 614 N 7.61 1.23 0.00 4.34 1.57 -1.99 -2.32 116.57 127.01 2hgw h LYS 614 Ca -0.29 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.30 2hgw h LYS 614 Cb 1.13 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 2hgw h LYS 614 CO 0.79 0.81 -0.56 -0.07 -0.57 0.00 0.00 179.45 179.85 2hgw h LEU 615 N 1.27 0.00 -0.29 2.94 3.38 -1.99 -1.70 115.31 118.92 2hgw h LEU 615 Ca 0.40 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.17 2hgw h LEU 615 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2hgw h LEU 615 CO -0.13 0.56 -0.80 -0.33 0.09 0.00 0.00 178.44 177.83 2hgw h GLU 616 N 0.00 0.48 -0.36 1.13 4.39 -1.82 -2.02 114.58 116.38 2hgw h GLU 616 Ca -0.01 -0.42 -0.16 0.00 0.34 0.00 0.00 59.36 59.11 2hgw h GLU 616 Cb 1.10 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 2hgw h GLU 616 CO 0.07 1.06 -0.42 1.25 -1.16 0.00 0.00 179.01 179.82 2hgw h LEU 617 N 0.31 0.98 -0.58 1.33 5.85 -1.31 -2.34 115.31 119.55 2hgw h LEU 617 Ca -0.05 -0.46 0.01 0.00 0.84 0.00 0.00 57.88 58.22 2hgw h LEU 617 Cb 1.40 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 2hgw h LEU 617 CO 0.14 1.25 0.38 0.25 -0.34 0.00 0.00 178.44 180.13 2hgw h LEU 618 N 0.73 0.65 -0.86 2.25 5.85 -1.25 -0.77 115.31 121.91 2hgw h LEU 618 Ca 0.05 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 2hgw h LEU 618 Cb 1.01 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 2hgw h LEU 618 CO 0.10 0.47 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.27 2hgw h GLU 619 N 0.77 0.78 -0.44 1.25 4.39 -1.29 0.02 114.58 120.06 2hgw h GLU 619 Ca 0.22 -0.24 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 2hgw h GLU 619 Cb -0.07 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 2hgw h GLU 619 CO -0.06 0.83 -0.14 0.00 -1.16 0.00 0.00 179.01 178.48 2hgw h ILE 621 N 0.74 1.28 -0.80 0.00 2.04 -0.90 -2.01 117.51 117.85 2hgw h ILE 621 Ca 0.12 -1.78 0.03 0.00 1.00 0.00 0.00 64.86 64.22 2hgw h ILE 621 Cb 0.65 1.70 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 2hgw h ILE 621 CO 0.05 0.58 0.52 -0.09 0.00 0.00 0.00 178.15 179.20 2hgw h ARG 622 N 0.63 0.98 -0.24 2.37 2.43 -0.81 -0.53 114.38 119.21 2hgw h ARG 622 Ca 0.00 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.00 2hgw h ARG 622 Cb 1.20 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 2hgw h ARG 622 CO 0.13 0.65 -0.31 0.00 -1.51 0.00 0.00 179.97 178.93 2hgw h ARG 623 N 1.01 0.50 -0.31 0.20 2.47 -1.15 -1.29 114.38 115.80 2hgw h ARG 623 Ca 0.32 -0.21 -0.08 0.00 -1.26 0.00 0.00 59.98 58.75 2hgw h ARG 623 Cb -0.00 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 2hgw h ARG 623 CO -0.11 0.75 -0.10 1.25 0.56 0.00 0.00 179.97 182.32 2hgw h LEU 624 N 0.43 0.63 -1.07 3.04 5.85 -0.58 -2.08 115.31 121.52 2hgw h LEU 624 Ca 0.05 -0.38 -0.08 0.00 0.84 0.00 0.00 57.88 58.31 2hgw h LEU 624 Cb 0.76 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 2hgw h LEU 624 CO 0.06 0.87 -0.20 0.40 -0.34 0.00 0.00 178.44 179.23 2hgw h ILE 625 N 0.39 1.24 -0.50 4.05 2.04 -1.00 -2.06 117.51 121.67 2hgw h ILE 625 Ca 0.08 -1.12 -0.07 0.00 1.00 0.00 0.00 64.86 64.75 2hgw h ILE 625 Cb 0.61 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 2hgw h ILE 625 CO 0.04 0.35 0.03 -0.08 0.00 0.00 0.00 178.15 178.49 2hgw h GLU 626 N 0.39 0.87 -0.61 2.37 4.81 -1.07 0.68 114.58 122.02 2hgw h GLU 626 Ca 0.07 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 58.99 2hgw h GLU 626 Cb 0.57 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 2hgw h GLU 626 CO 0.04 0.89 0.20 0.28 -0.73 0.00 0.00 179.01 179.69 2hgw h VAL 627 N 0.73 1.24 -0.94 0.32 2.07 -1.12 -2.76 116.25 115.80 2hgw h VAL 627 Ca 0.15 -0.80 -0.54 0.00 0.82 0.00 0.00 66.70 66.33 2hgw h VAL 627 Cb 0.48 0.62 -0.29 0.00 -1.52 0.00 0.00 31.29 30.57 2hgw h VAL 627 CO 0.02 0.31 0.62 0.47 0.02 0.00 0.00 177.57 179.01 2hgw n ASP 628 N -4.41 4.75 -0.28 0.57 10.43 -0.80 -4.70 116.55 122.11 2hgw n ASP 628 Ca 0.04 -3.68 0.05 0.00 2.57 0.00 0.00 54.79 53.76 2hgw n ASP 628 Cb 0.20 -0.85 0.26 0.00 1.84 0.00 0.00 41.12 42.57 2hgw n ASP 628 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 2hgw h LYS 629 N 1.30 0.95 0.00 -1.24 1.79 -0.55 -2.28 116.57 116.54 2hgw h LYS 629 Ca 0.59 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 59.00 2hgw h LYS 629 Cb 2.18 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 32.62 2hgw h LYS 629 CO 1.18 0.63 0.00 -0.44 -1.08 0.00 0.00 179.45 179.73 2hgw h ASP 630 N 0.97 0.00 1.69 0.86 3.32 -1.86 -2.25 116.42 119.16 2hgw h ASP 630 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 2hgw h ASP 630 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2hgw h ASP 630 CO -0.14 0.00 -0.19 -0.50 -1.72 0.00 0.00 179.24 176.69 2hgw h TRP 631 N 0.00 0.00 -3.12 4.55 4.06 -1.79 -3.44 115.95 116.21 2hgw h TRP 631 Ca 0.00 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.38 2hgw h TRP 631 Cb 0.27 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.38 2hgw h TRP 631 CO 0.00 0.00 0.90 0.08 -3.56 0.00 0.00 178.44 175.86 2hgw s VAL 632 N -3.21 4.34 0.54 1.49 1.01 -0.85 -4.72 120.40 119.01 2hgw s VAL 632 Ca 0.06 1.57 -0.16 0.00 0.00 0.00 0.00 61.98 63.45 2hgw s VAL 632 Cb 0.07 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.19 2hgw s VAL 632 CO 0.68 -0.35 1.01 -2.16 0.00 0.00 0.00 175.10 174.28 2hgw s PRO 633 N 3.73 3.71 0.00 2.72 0.04 -1.26 -4.92 135.00 139.02 2hgw s PRO 633 Ca 0.51 1.06 0.10 0.00 0.04 0.00 0.00 61.00 62.71 2hgw s PRO 633 Cb -0.17 -2.10 0.17 0.00 0.04 0.00 0.00 34.50 32.45 2hgw s PRO 633 CO 0.17 -0.47 1.01 -0.40 0.04 0.00 0.00 177.00 177.34 2hgw n ASP 634 N -1.73 2.30 -4.83 6.66 5.68 -1.26 -4.09 116.55 119.28 2hgw n ASP 634 Ca 0.07 -1.68 -0.31 0.00 -0.50 0.00 0.00 54.79 52.37 2hgw n ASP 634 Cb 0.54 -0.09 0.04 0.00 -1.14 0.00 0.00 41.12 40.46 2hgw n ASP 634 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2hgw s ALA 635 N -0.92 2.77 0.13 2.12 0.00 -1.26 -4.82 121.76 119.79 2hgw s ALA 635 Ca 0.16 0.07 -0.31 0.00 0.00 0.00 0.00 51.96 51.88 2hgw s ALA 635 Cb 0.10 -3.16 -0.09 0.00 0.00 0.00 0.00 23.12 19.97 2hgw s ALA 635 CO 0.14 -1.08 1.46 0.00 0.00 0.00 0.00 175.76 176.28 2hgw s ALA 636 N -3.04 3.66 0.00 0.00 0.00 -1.26 -2.44 121.76 118.69 2hgw s ALA 636 Ca 0.58 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.75 2hgw s ALA 636 Cb -0.13 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2hgw s ALA 636 CO 0.54 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 176.02 2hgw n GLY 637 N 3.60 0.78 3.67 0.00 0.00 -1.26 -4.72 105.19 107.25 2hgw n GLY 637 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 2hgw n GLY 637 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hgw s THR 638 N -2.88 3.80 0.17 2.61 -4.23 -1.02 -2.79 115.64 111.29 2hgw s THR 638 Ca 0.00 -1.31 -0.08 0.00 -1.18 0.00 0.00 61.69 59.12 2hgw s THR 638 Cb 0.00 -2.88 0.03 0.00 1.34 0.00 0.00 72.50 70.99 2hgw s THR 638 CO 0.00 -0.05 0.43 -1.54 -0.54 0.00 0.00 174.62 172.92 2hgw n SER 639 N 0.05 -1.08 -4.18 3.99 3.41 -0.24 -4.77 113.62 110.80 2hgw n SER 639 Ca -0.10 -1.71 -0.33 0.00 -0.26 0.00 0.00 58.87 56.47 2hgw n SER 639 Cb 0.54 1.79 -0.16 0.00 -0.26 0.00 0.00 64.21 66.13 2hgw n SER 639 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2hgw s LEU 640 N 0.00 2.32 -0.16 1.04 2.96 -0.20 -0.15 118.68 124.48 2hgw s LEU 640 Ca 0.09 -0.57 -0.20 0.00 -0.22 0.00 0.00 54.13 53.23 2hgw s LEU 640 Cb -0.02 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 2hgw s LEU 640 CO 0.05 0.02 0.57 -0.47 -1.32 0.00 0.00 176.35 175.20 2hgw s TYR 641 N 1.18 3.43 -0.21 5.38 5.04 0.19 -0.90 117.35 131.46 2hgw s TYR 641 Ca 0.02 0.92 -0.08 0.00 -2.44 0.00 0.00 57.07 55.49 2hgw s TYR 641 Cb -0.14 -2.70 -0.04 0.00 0.35 0.00 0.00 41.96 39.43 2hgw s TYR 641 CO -0.08 -0.03 0.08 0.08 -1.34 0.00 0.00 175.55 174.26 2hgw s VAL 642 N 1.37 4.71 -0.54 3.14 1.01 0.19 -0.71 120.40 129.57 2hgw s VAL 642 Ca 0.28 -0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.25 2hgw s VAL 642 Cb -0.16 -3.16 0.14 0.00 0.00 0.00 0.00 36.38 33.19 2hgw s VAL 642 CO 0.11 0.40 0.29 -0.60 0.00 0.00 0.00 175.10 175.30 2hgw s ARG 643 N 0.91 2.00 0.29 2.72 6.06 0.13 -2.60 118.95 128.47 2hgw s ARG 643 Ca 0.04 -2.69 -0.28 0.00 -2.50 0.00 0.00 55.73 50.31 2hgw s ARG 643 Cb -0.14 -3.27 -0.09 0.00 0.06 0.00 0.00 34.95 31.51 2hgw s ARG 643 CO 0.03 -1.14 0.98 -2.14 -2.50 0.00 0.00 175.30 170.53 2hgw s PRO 644 N -0.42 4.66 -0.02 5.12 0.02 -1.25 -1.91 135.00 141.21 2hgw s PRO 644 Ca 0.18 1.48 -0.02 0.00 0.02 0.00 0.00 61.00 62.67 2hgw s PRO 644 Cb -0.23 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.28 2hgw s PRO 644 CO -0.02 0.32 0.05 0.08 -0.33 0.00 0.00 177.00 177.09 2hgw s VAL 645 N -1.38 0.00 -0.09 3.83 1.01 0.12 -1.39 120.40 122.50 2hgw s VAL 645 Ca 0.47 -0.03 -0.00 0.00 0.00 0.00 0.00 61.98 62.41 2hgw s VAL 645 Cb -0.24 -0.08 0.02 0.00 0.00 0.00 0.00 36.38 36.08 2hgw s VAL 645 CO 0.30 -0.02 -0.06 -0.22 0.00 0.00 0.00 175.10 175.10 2hgw s LEU 646 N -0.02 1.10 0.10 3.92 2.96 -0.93 -0.80 118.68 125.00 2hgw s LEU 646 Ca -0.01 -0.24 0.07 0.00 -0.22 0.00 0.00 54.13 53.74 2hgw s LEU 646 Cb -0.01 -0.72 -0.03 0.00 0.50 0.00 0.00 46.19 45.94 2hgw s LEU 646 CO 0.00 -0.12 -0.19 0.27 -1.32 0.00 0.00 176.35 174.99 2hgw s ILE 647 N 1.60 1.56 0.28 6.68 -4.36 -0.08 -1.95 121.20 124.94 2hgw s ILE 647 Ca 0.02 -1.49 -0.28 0.00 -0.26 0.00 0.00 60.65 58.64 2hgw s ILE 647 Cb -0.13 -1.44 -0.09 0.00 1.25 0.00 0.00 42.46 42.05 2hgw s ILE 647 CO -0.06 -0.10 0.96 -0.83 0.24 0.00 0.00 174.94 175.15 2hgw s GLY 648 N -1.87 2.97 -0.28 6.27 0.00 0.63 -0.88 107.32 114.16 2hgw s GLY 648 Ca 0.04 0.61 0.19 0.00 0.00 0.00 0.00 44.72 45.57 2hgw s GLY 648 CO 0.04 1.13 1.10 -2.01 0.00 0.00 0.00 173.10 173.36 2hgw n ASN 649 N 1.02 2.24 -4.67 1.64 5.15 0.16 -2.72 115.26 118.08 2hgw n ASN 649 Ca -0.00 -2.47 -0.43 0.00 -0.60 0.00 0.00 54.58 51.08 2hgw n ASN 649 Cb 0.48 -0.46 -0.02 0.00 -0.53 0.00 0.00 39.78 39.25 2hgw n ASN 649 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2hgw s GLU 650 N -3.67 4.30 0.00 1.20 2.56 -1.24 -4.65 118.70 117.20 2hgw s GLU 650 Ca 0.32 1.50 -0.02 0.00 0.00 0.00 0.00 54.97 56.77 2hgw s GLU 650 Cb 0.36 -3.64 -0.09 0.00 2.00 0.00 0.00 34.13 32.75 2hgw s GLU 650 CO -0.02 -0.56 2.42 -2.30 -0.56 0.00 0.00 175.26 174.24 2hgw n PRO 651 N 5.97 1.27 -4.06 4.30 -0.02 -1.26 -2.39 135.00 138.81 2hgw n PRO 651 Ca 0.12 -0.35 -0.08 0.00 -2.02 0.00 0.00 63.50 61.17 2hgw n PRO 651 Cb 0.46 -1.39 -0.10 0.00 -0.02 0.00 0.00 33.50 32.45 2hgw n PRO 651 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2hgw s SER 652 N 2.03 0.45 -0.05 2.55 0.01 -1.22 -4.87 113.70 112.60 2hgw s SER 652 Ca 0.23 -0.85 0.16 0.00 1.31 0.00 0.00 55.95 56.80 2hgw s SER 652 Cb 0.11 0.16 0.55 0.00 0.21 0.00 0.00 66.02 67.06 2hgw s SER 652 CO 0.00 -0.50 1.44 0.18 0.41 0.00 0.00 173.24 174.77 2hgw n LEU 653 N 0.55 3.59 -4.83 2.44 4.77 -1.26 -4.53 117.00 117.73 2hgw n LEU 653 Ca -0.17 -1.81 -0.38 0.00 -0.03 0.00 0.00 56.01 53.63 2hgw n LEU 653 Cb 0.59 -0.47 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 2hgw n LEU 653 CO 0.26 0.71 0.19 -0.83 -1.33 0.00 0.00 177.39 176.39 2hgw s GLY 654 N -0.89 2.55 -0.85 -0.72 0.00 -1.26 -5.00 107.32 101.16 2hgw s GLY 654 Ca 0.40 -0.11 -0.25 0.00 0.00 0.00 0.00 44.72 44.76 2hgw s GLY 654 CO 0.22 0.26 1.41 0.14 0.00 0.00 0.00 173.10 175.14 2hgw s VAL 655 N -1.16 3.77 0.37 1.40 1.01 -1.26 -4.90 120.40 119.62 2hgw s VAL 655 Ca 0.28 -0.11 -0.13 0.00 0.00 0.00 0.00 61.98 62.02 2hgw s VAL 655 Cb -0.18 -4.88 0.04 0.00 0.00 0.00 0.00 36.38 31.37 2hgw s VAL 655 CO 0.17 -1.80 0.72 -0.94 0.00 0.00 0.00 175.10 173.25 2hgw s SER 656 N 4.68 0.17 0.07 3.32 1.04 -1.26 -5.14 113.70 116.59 2hgw s SER 656 Ca 0.43 -1.17 -0.30 0.00 0.48 0.00 0.00 55.95 55.38 2hgw s SER 656 Cb -0.05 0.80 -0.09 0.00 0.10 0.00 0.00 66.02 66.78 2hgw s SER 656 CO 0.05 -1.58 1.88 -1.58 0.98 0.00 0.00 173.24 172.99 2hgw s GLN 657 N -2.60 4.14 0.31 4.02 2.00 -1.26 -4.96 119.66 121.30 2hgw s GLN 657 Ca 0.18 2.58 -0.29 0.00 -2.00 0.00 0.00 55.36 55.83 2hgw s GLN 657 Cb -0.04 -3.88 -0.10 0.00 0.80 0.00 0.00 33.01 29.79 2hgw s GLN 657 CO 0.13 -0.89 1.28 -2.14 -0.50 0.00 0.00 175.29 173.17 2hgw s PRO 658 N 3.60 4.40 0.00 1.67 0.02 -1.26 -4.92 135.00 138.51 2hgw s PRO 658 Ca 0.84 2.14 0.23 0.00 0.02 0.00 0.00 61.00 64.23 2hgw s PRO 658 Cb -0.44 -3.10 0.47 0.00 0.02 0.00 0.00 34.50 31.45 2hgw s PRO 658 CO 0.38 -0.14 1.42 0.54 -0.33 0.00 0.00 177.00 178.88 2hgw n ARG 659 N 1.12 2.39 -3.71 5.54 1.74 -1.26 -4.90 116.66 117.57 2hgw n ARG 659 Ca 0.01 -2.09 -0.14 0.00 -0.77 0.00 0.00 57.85 54.85 2hgw n ARG 659 Cb 0.42 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 30.28 2hgw n ARG 659 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2hgw s ARG 660 N -1.55 0.63 0.13 5.56 3.52 -1.26 -2.54 118.95 123.43 2hgw s ARG 660 Ca 0.38 0.31 -0.13 0.00 -0.13 0.00 0.00 55.73 56.15 2hgw s ARG 660 Cb 0.22 0.30 0.02 0.00 -1.56 0.00 0.00 34.95 33.92 2hgw s ARG 660 CO 0.31 -0.13 0.33 0.00 -0.81 0.00 0.00 175.30 175.00 2hgw s ALA 661 N -0.44 -0.59 -0.05 6.12 0.00 -0.33 -0.67 121.76 125.79 2hgw s ALA 661 Ca -0.06 -0.35 -0.00 0.00 0.00 0.00 0.00 51.96 51.55 2hgw s ALA 661 Cb -0.03 0.67 0.03 0.00 0.00 0.00 0.00 23.12 23.78 2hgw s ALA 661 CO 0.03 -0.62 -0.00 -1.17 0.00 0.00 0.00 175.76 174.00 2hgw s LEU 662 N -2.85 0.91 -0.20 0.00 2.96 -0.05 -0.98 118.68 118.47 2hgw s LEU 662 Ca 0.06 -0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 53.87 2hgw s LEU 662 Cb 0.03 -0.34 -0.01 0.00 0.50 0.00 0.00 46.19 46.36 2hgw s LEU 662 CO -0.09 -0.14 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.53 2hgw s LEU 663 N 1.44 2.96 0.03 -0.68 0.20 0.59 -0.91 118.68 122.31 2hgw s LEU 663 Ca -0.04 -0.33 0.01 0.00 0.69 0.00 0.00 54.13 54.47 2hgw s LEU 663 Cb -0.13 -1.74 -0.02 0.00 -0.43 0.00 0.00 46.19 43.87 2hgw s LEU 663 CO -0.03 0.04 -0.05 0.72 -0.29 0.00 0.00 176.35 176.74 2hgw s PHE 664 N 1.14 0.47 -0.08 5.38 -0.71 0.02 -0.34 117.98 123.86 2hgw s PHE 664 Ca 0.02 -0.56 0.01 0.00 -1.04 0.00 0.00 56.93 55.36 2hgw s PHE 664 Cb -0.15 -0.30 0.02 0.00 -1.21 0.00 0.00 43.02 41.38 2hgw s PHE 664 CO -0.00 -0.15 -0.10 0.08 -1.34 0.00 0.00 175.22 173.70 2hgw s VAL 665 N -1.65 1.02 0.17 -2.49 1.01 -0.79 0.12 120.40 117.79 2hgw s VAL 665 Ca -0.11 -0.37 0.11 0.00 0.00 0.00 0.00 61.98 61.61 2hgw s VAL 665 Cb -0.08 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 2hgw s VAL 665 CO -0.01 0.34 -0.24 0.27 0.00 0.00 0.00 175.10 175.46 2hgw s ILE 666 N 1.05 2.36 0.09 2.22 -4.36 -0.80 -1.77 121.20 119.99 2hgw s ILE 666 Ca -0.08 -1.91 0.10 0.00 -0.26 0.00 0.00 60.65 58.51 2hgw s ILE 666 Cb -0.15 -2.10 -0.03 0.00 1.25 0.00 0.00 42.46 41.43 2hgw s ILE 666 CO -0.01 -0.03 -0.26 -0.76 0.24 0.00 0.00 174.94 174.12 2hgw s LEU 667 N -2.44 2.29 -0.08 0.37 1.43 -1.26 -0.69 118.68 118.29 2hgw s LEU 667 Ca 0.18 -0.65 -0.03 0.00 -1.03 0.00 0.00 54.13 52.60 2hgw s LEU 667 Cb -0.09 -1.28 0.05 0.00 0.03 0.00 0.00 46.19 44.89 2hgw s LEU 667 CO 0.09 0.22 0.13 0.00 0.23 0.00 0.00 176.35 177.01 2hgw s PRO 669 N 2.24 4.31 0.01 0.00 0.04 -1.25 0.53 135.00 140.88 2hgw s PRO 669 Ca 0.04 1.74 0.07 0.00 0.04 0.00 0.00 61.00 62.89 2hgw s PRO 669 Cb -0.13 -3.61 -0.03 0.00 0.04 0.00 0.00 34.50 30.77 2hgw s PRO 669 CO -0.06 -0.53 -0.20 0.14 0.04 0.00 0.00 177.00 176.39 2hgw s VAL 670 N 2.56 2.64 0.16 -0.36 -7.23 0.78 -4.77 120.40 114.17 2hgw s VAL 670 Ca 0.58 -1.09 0.02 0.00 -1.81 0.00 0.00 61.98 59.68 2hgw s VAL 670 Cb -0.26 -2.05 0.02 0.00 0.56 0.00 0.00 36.38 34.66 2hgw s VAL 670 CO 0.21 0.45 0.20 0.61 -0.31 0.00 0.00 175.10 176.26 2hgw n GLY 671 N 1.92 2.15 3.87 2.32 0.00 -0.88 -1.07 105.19 113.49 2hgw n GLY 671 Ca -0.16 -2.17 -0.29 0.00 0.00 0.00 0.00 46.02 43.40 2hgw n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgw s ALA 672 N -2.20 2.48 -0.34 4.61 0.00 -1.12 -4.70 121.76 120.50 2hgw s ALA 672 Ca 0.15 -0.54 -0.21 0.00 0.00 0.00 0.00 51.96 51.36 2hgw s ALA 672 Cb -0.01 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.11 2hgw s ALA 672 CO 0.10 -1.72 0.68 0.14 0.00 0.00 0.00 175.76 174.95 2hgw s VAL 679 N -3.45 4.87 -0.30 0.00 -7.23 -1.26 -5.05 120.40 107.98 2hgw s VAL 679 Ca 0.62 0.79 -0.11 0.00 -1.81 0.00 0.00 61.98 61.46 2hgw s VAL 679 Cb -0.12 -4.08 -0.04 0.00 0.56 0.00 0.00 36.38 32.70 2hgw s VAL 679 CO 0.51 -0.28 0.19 0.42 -0.31 0.00 0.00 175.10 175.63 2hgw s THR 680 N 2.78 5.17 0.34 5.32 -4.23 -1.26 -4.99 115.64 118.76 2hgw s THR 680 Ca 0.27 -0.01 -0.28 0.00 -1.18 0.00 0.00 61.69 60.49 2hgw s THR 680 Cb -0.14 -3.53 -0.09 0.00 1.34 0.00 0.00 72.50 70.08 2hgw s THR 680 CO 0.14 0.17 1.21 -2.16 -0.54 0.00 0.00 174.62 173.44 2hgw s PRO 681 N 1.73 4.33 0.12 3.99 0.04 -1.26 -4.37 135.00 139.58 2hgw s PRO 681 Ca 0.07 1.98 0.10 0.00 0.04 0.00 0.00 61.00 63.18 2hgw s PRO 681 Cb -0.16 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 2hgw s PRO 681 CO 0.10 -0.12 -0.22 0.14 0.04 0.00 0.00 177.00 176.94 2hgw s VAL 682 N -1.24 2.61 -0.11 -0.36 -7.23 -0.19 -4.89 120.40 109.00 2hgw s VAL 682 Ca 0.50 -1.60 -0.05 0.00 -1.81 0.00 0.00 61.98 59.02 2hgw s VAL 682 Cb -0.35 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 2hgw s VAL 682 CO 0.45 0.10 0.10 -0.94 -0.31 0.00 0.00 175.10 174.50 2hgw s SER 683 N -2.10 6.07 0.04 4.85 1.04 -1.26 -1.82 113.70 120.52 2hgw s SER 683 Ca 0.16 0.37 0.09 0.00 0.48 0.00 0.00 55.95 57.06 2hgw s SER 683 Cb -0.10 -1.90 -0.03 0.00 0.10 0.00 0.00 66.02 64.09 2hgw s SER 683 CO 0.08 0.40 -0.26 -0.76 0.98 0.00 0.00 173.24 173.68 2hgw s LEU 684 N -1.03 2.16 -0.25 2.42 1.43 0.11 -1.38 118.68 122.15 2hgw s LEU 684 Ca 0.15 -0.58 -0.10 0.00 -1.03 0.00 0.00 54.13 52.57 2hgw s LEU 684 Cb -0.12 -1.26 -0.05 0.00 0.03 0.00 0.00 46.19 44.79 2hgw s LEU 684 CO 0.04 0.25 0.15 -0.22 0.23 0.00 0.00 176.35 176.81 2hgw s LEU 685 N -1.20 4.01 -0.54 1.79 2.96 -0.45 0.01 118.68 125.27 2hgw s LEU 685 Ca 0.11 0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 54.07 2hgw s LEU 685 Cb -0.10 -2.08 0.14 0.00 0.50 0.00 0.00 46.19 44.65 2hgw s LEU 685 CO 0.02 0.03 0.32 0.00 -1.32 0.00 0.00 176.35 175.41 2hgw s ALA 686 N 1.24 3.39 -0.18 5.97 0.00 0.44 -0.90 121.76 131.71 2hgw s ALA 686 Ca 0.07 -3.08 0.01 0.00 0.00 0.00 0.00 51.96 48.95 2hgw s ALA 686 Cb -0.14 -2.44 0.02 0.00 0.00 0.00 0.00 23.12 20.55 2hgw s ALA 686 CO 0.06 -2.00 -0.18 0.34 0.00 0.00 0.00 175.76 173.98 2hgw s ASP 687 N 0.67 3.27 0.35 0.00 -1.08 -1.26 -4.37 116.67 114.25 2hgw s ASP 687 Ca 0.15 -0.61 0.25 0.00 -0.52 0.00 0.00 52.55 51.81 2hgw s ASP 687 Cb -0.22 -1.51 1.28 0.00 -1.46 0.00 0.00 42.92 41.01 2hgw s ASP 687 CO -0.03 0.00 1.75 -0.65 0.52 0.00 0.00 175.17 176.77 2hgw h PRO 688 N 7.91 0.00 0.00 4.34 0.11 -1.93 -3.02 132.00 139.40 2hgw h PRO 688 Ca -0.44 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 2hgw h PRO 688 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2hgw h PRO 688 CO 0.63 0.00 -0.31 0.00 -0.21 0.00 0.00 178.00 178.10 2hgw h ALA 689 N 2.04 0.97 -2.62 -0.75 0.00 -1.95 -3.43 119.26 113.52 2hgw h ALA 689 Ca 0.00 -0.29 -0.69 0.00 0.00 0.00 0.00 54.91 53.94 2hgw h ALA 689 Cb 0.07 -0.05 -0.19 0.00 0.00 0.00 0.00 17.79 17.62 2hgw h ALA 689 CO 0.00 0.39 -0.41 -0.06 0.00 0.00 0.00 179.25 179.17 2hgw s PHE 690 N -3.54 3.22 -0.21 0.00 0.40 -1.14 -5.06 117.98 111.65 2hgw s PHE 690 Ca 0.01 -0.28 -0.03 0.00 -0.60 0.00 0.00 56.93 56.03 2hgw s PHE 690 Cb 0.10 -2.57 -0.01 0.00 0.51 0.00 0.00 43.02 41.05 2hgw s PHE 690 CO 0.67 -0.45 -0.06 0.42 0.70 0.00 0.00 175.22 176.50 2hgw s ILE 691 N 1.80 3.30 -0.05 0.64 -1.09 -1.26 -4.46 121.20 120.08 2hgw s ILE 691 Ca 0.07 -0.52 -0.24 0.00 -2.23 0.00 0.00 60.65 57.73 2hgw s ILE 691 Cb -0.18 -2.49 -0.26 0.00 -1.58 0.00 0.00 42.46 37.96 2hgw s ILE 691 CO 0.11 0.44 0.97 -0.09 -1.23 0.00 0.00 174.94 175.13 2hgw h ARG 692 N 7.93 0.22 -3.97 2.79 2.43 -1.97 -3.48 114.38 118.33 2hgw h ARG 692 Ca -0.40 -0.28 -0.10 0.00 -0.81 0.00 0.00 59.98 58.38 2hgw h ARG 692 Cb 1.16 0.09 -0.14 0.00 -0.42 0.00 0.00 29.97 30.67 2hgw h ARG 692 CO 0.60 1.05 -0.45 0.00 -1.51 0.00 0.00 179.97 179.66 2hgw s ALA 693 N -2.82 0.06 0.10 2.80 0.00 -1.26 -4.89 121.76 115.75 2hgw s ALA 693 Ca -0.15 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 50.99 2hgw s ALA 693 Cb 0.01 0.53 -0.03 0.00 0.00 0.00 0.00 23.12 23.62 2hgw s ALA 693 CO 0.77 -0.50 -0.13 -0.46 0.00 0.00 0.00 175.76 175.44 2hgw s TRP 694 N -3.91 1.22 0.10 0.00 -0.11 -1.26 -4.96 118.94 110.03 2hgw s TRP 694 Ca 0.09 -0.56 -0.31 0.00 1.22 0.00 0.00 56.10 56.54 2hgw s TRP 694 Cb 0.06 -0.66 -0.09 0.00 -1.50 0.00 0.00 33.47 31.28 2hgw s TRP 694 CO -0.08 0.07 1.59 0.08 -4.62 0.00 0.00 176.95 173.99 2hgw s VAL 695 N -2.00 2.94 0.00 5.86 1.01 -1.26 -1.17 120.40 125.78 2hgw s VAL 695 Ca 0.05 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.55 2hgw s VAL 695 Cb -0.06 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.98 2hgw s VAL 695 CO 0.02 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.74 2hgw n GLY 696 N 3.86 0.74 0.00 4.51 0.00 -1.26 -5.05 105.19 107.99 2hgw n GLY 696 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2hgw n GLY 696 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgw n GLY 697 N -2.14 1.79 0.27 -0.02 0.00 -0.31 -5.08 105.19 99.70 2hgw n GLY 697 Ca 0.00 -1.86 0.06 0.00 0.00 0.00 0.00 46.02 44.23 2hgw n GLY 697 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hgw n VAL 698 N 0.00 1.25 0.46 1.61 0.24 -1.26 -4.79 118.33 115.84 2hgw n VAL 698 Ca 0.00 -1.56 0.09 0.00 -2.04 0.00 0.00 64.34 60.84 2hgw n VAL 698 Cb 0.00 0.03 0.40 0.00 -1.47 0.00 0.00 33.84 32.80 2hgw n VAL 698 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2hgw n GLY 699 N -0.91 -1.14 0.69 7.63 0.00 -1.26 -2.29 105.19 107.89 2hgw n GLY 699 Ca 0.11 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.23 2hgw n GLY 699 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hgw n ASN 700 N -1.85 2.04 -4.27 1.61 2.04 -1.24 -3.69 115.26 109.90 2hgw n ASN 700 Ca 0.03 -1.83 -0.27 0.00 -0.44 0.00 0.00 54.58 52.07 2hgw n ASN 700 Cb 0.20 -0.17 -0.14 0.00 -2.53 0.00 0.00 39.78 37.14 2hgw n ASN 700 CO 0.00 0.00 0.00 -0.31 -0.44 0.00 0.00 177.26 176.51 2hgw s TYR 701 N -1.65 1.93 -1.30 -2.53 2.02 -0.97 -4.44 117.35 110.40 2hgw s TYR 701 Ca 0.31 -0.38 -0.11 0.00 -0.37 0.00 0.00 57.07 56.52 2hgw s TYR 701 Cb 0.17 -1.15 0.15 0.00 -0.40 0.00 0.00 41.96 40.72 2hgw s TYR 701 CO 0.25 0.10 1.88 1.17 -1.57 0.00 0.00 175.55 177.38 2hgw n LYS 702 N 1.83 3.47 -4.10 -0.62 4.81 -1.26 -4.95 118.16 117.34 2hgw n LYS 702 Ca -0.17 -3.41 -0.33 0.00 -0.87 0.00 0.00 58.31 53.52 2hgw n LYS 702 Cb 0.53 -3.01 -0.07 0.00 0.02 0.00 0.00 35.03 32.50 2hgw n LYS 702 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2hgw s LEU 703 N 0.52 3.94 0.32 3.14 1.43 -1.26 -2.20 118.68 124.57 2hgw s LEU 703 Ca 0.41 0.18 0.07 0.00 -1.03 0.00 0.00 54.13 53.77 2hgw s LEU 703 Cb 0.09 -2.24 0.76 0.00 0.03 0.00 0.00 46.19 44.83 2hgw s LEU 703 CO -0.01 0.29 1.82 1.23 0.23 0.00 0.00 176.35 179.92 2hgw h GLY 704 N 4.24 1.50 1.32 -3.19 0.00 -1.83 -2.33 103.07 102.78 2hgw h GLY 704 Ca -0.50 -0.34 0.06 0.00 0.00 0.00 0.00 47.33 46.56 2hgw h GLY 704 CO 0.62 0.04 0.28 -1.33 0.00 0.00 0.00 176.54 176.14 2hgw h GLY 705 N 0.76 0.00 2.00 4.60 0.00 -1.86 -1.53 103.07 107.05 2hgw h GLY 705 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 2hgw h GLY 705 CO -0.29 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.95 2hgw n ASN 706 N -3.65 0.79 -0.12 0.19 5.03 -0.88 -4.34 115.26 112.28 2hgw n ASN 706 Ca 0.03 0.57 -0.17 0.00 0.87 0.00 0.00 54.58 55.88 2hgw n ASN 706 Cb 0.41 -0.79 -0.11 0.00 -1.02 0.00 0.00 39.78 38.27 2hgw n ASN 706 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2hgw n TYR 707 N -2.24 0.00 -0.15 3.10 4.02 -0.58 -4.58 117.16 116.74 2hgw n TYR 707 Ca 0.06 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.92 2hgw n TYR 707 Cb 0.43 -0.93 0.05 0.00 -0.02 0.00 0.00 39.34 38.86 2hgw n TYR 707 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2hgw h GLY 708 N 1.87 0.50 1.56 2.72 0.00 -1.75 -2.02 103.07 105.95 2hgw h GLY 708 Ca -0.54 0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2hgw h GLY 708 CO -0.08 -0.11 0.00 -1.55 0.00 0.00 0.00 176.54 174.79 2hgw n PRO 709 N -5.20 0.20 0.09 4.80 -0.04 -1.26 -2.78 135.00 130.82 2hgw n PRO 709 Ca 0.05 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.78 2hgw n PRO 709 Cb 0.25 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.37 2hgw n PRO 709 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2hgw h THR 710 N 0.00 0.00 -0.47 0.52 1.35 -1.61 -3.37 112.91 109.33 2hgw h THR 710 Ca 0.00 -0.64 0.02 0.00 -0.55 0.00 0.00 66.41 65.24 2hgw h THR 710 Cb 0.13 1.28 -0.03 0.00 -1.73 0.00 0.00 68.15 67.80 2hgw h THR 710 CO 0.00 0.00 0.29 0.58 -0.25 0.00 0.00 175.52 176.14 2hgw h VAL 711 N 0.00 1.06 -0.35 6.82 2.07 -1.61 -1.70 116.25 122.55 2hgw h VAL 711 Ca 0.00 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 2hgw h VAL 711 Cb 0.82 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2hgw h VAL 711 CO 0.00 0.10 -0.09 0.25 0.02 0.00 0.00 177.57 177.86 2hgw h LEU 712 N 0.57 0.56 -0.73 2.57 5.85 -1.80 -1.67 115.31 120.66 2hgw h LEU 712 Ca 0.18 -0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.65 2hgw h LEU 712 Cb -0.00 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 2hgw h LEU 712 CO -0.08 0.69 -0.19 0.58 -0.34 0.00 0.00 178.44 179.11 2hgw h VAL 713 N 0.54 1.27 -0.30 1.05 2.07 -1.68 -0.50 116.25 118.71 2hgw h VAL 713 Ca 0.10 -1.28 -0.15 0.00 0.82 0.00 0.00 66.70 66.20 2hgw h VAL 713 Cb 0.48 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2hgw h VAL 713 CO 0.03 0.43 -0.40 -0.61 0.02 0.00 0.00 177.57 177.03 2hgw h GLN 714 N 0.68 0.73 -0.17 1.57 -0.00 -0.95 -1.50 115.11 115.47 2hgw h GLN 714 Ca 0.10 -0.38 -0.09 0.00 -0.00 0.00 0.00 58.65 58.28 2hgw h GLN 714 Cb 0.69 0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.16 2hgw h GLN 714 CO 0.05 1.00 -0.30 1.96 0.00 0.00 0.00 178.83 181.54 2hgw h GLN 715 N 0.60 0.32 -0.02 1.69 1.08 -1.00 -1.85 115.11 115.93 2hgw h GLN 715 Ca 0.05 -0.12 -0.12 0.00 -1.45 0.00 0.00 58.65 57.00 2hgw h GLN 715 Cb 0.95 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.34 2hgw h GLN 715 CO 0.09 0.60 -0.55 1.49 -0.95 0.00 0.00 178.83 179.50 2hgw h GLU 716 N 0.28 0.06 -0.38 1.46 4.57 -0.77 -2.23 114.58 117.57 2hgw h GLU 716 Ca 0.04 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.05 2hgw h GLU 716 Cb 0.67 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 2hgw h GLU 716 CO 0.05 0.60 -0.27 0.00 -1.18 0.00 0.00 179.01 178.21 2hgw h ALA 717 N 1.39 0.55 -0.25 2.92 0.00 -0.71 -2.96 119.26 120.20 2hgw h ALA 717 Ca -0.00 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.43 2hgw h ALA 717 Cb 0.99 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2hgw h ALA 717 CO 0.08 0.56 -0.18 -0.07 0.00 0.00 0.00 179.25 179.64 2hgw h LEU 718 N 0.66 0.43 -0.85 0.00 3.38 -1.09 0.63 115.31 118.47 2hgw h LEU 718 Ca 0.07 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2hgw h LEU 718 Cb 0.84 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 2hgw h LEU 718 CO 0.07 0.63 -0.04 0.11 0.09 0.00 0.00 178.44 179.30 2hgw h LYS 719 N 0.40 0.00 -0.73 1.13 1.79 -1.33 -2.79 116.57 115.05 2hgw h LYS 719 Ca 0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2hgw h LYS 719 Cb 0.54 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 2hgw h LYS 719 CO 0.04 0.04 0.00 0.54 -1.08 0.00 0.00 179.45 178.99 2hgw n ARG 720 N -3.13 2.94 -0.77 3.15 1.74 -1.03 -4.95 116.66 114.60 2hgw n ARG 720 Ca 0.02 -2.73 0.00 0.00 -0.77 0.00 0.00 57.85 54.37 2hgw n ARG 720 Cb 0.42 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 2hgw n ARG 720 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hgw n GLY 721 N 1.58 0.61 3.81 -0.13 0.00 -1.05 -5.07 105.19 104.94 2hgw n GLY 721 Ca 0.25 -0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.03 2hgw n GLY 721 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgw n GLU 723 N -0.84 0.72 -4.47 0.00 1.02 -0.48 -2.81 120.64 113.78 2hgw n GLU 723 Ca -0.08 0.30 -0.24 0.00 -0.02 0.00 0.00 57.16 57.11 2hgw n GLU 723 Cb 0.57 -1.69 -0.08 0.00 -0.02 0.00 0.00 31.44 30.21 2hgw n GLU 723 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2hgw s GLN 724 N -2.53 1.90 -0.13 3.49 -1.52 -0.56 -4.79 119.66 115.52 2hgw s GLN 724 Ca -0.25 -2.15 -0.03 0.00 -1.95 0.00 0.00 55.36 50.98 2hgw s GLN 724 Cb 0.07 -0.41 -0.03 0.00 -0.22 0.00 0.00 33.01 32.41 2hgw s GLN 724 CO 0.72 -0.52 -0.00 0.08 -0.25 0.00 0.00 175.29 175.32 2hgw s VAL 725 N -3.26 4.24 -0.40 1.09 1.01 -1.26 -1.34 120.40 120.48 2hgw s VAL 725 Ca 0.27 -0.25 -0.13 0.00 0.00 0.00 0.00 61.98 61.87 2hgw s VAL 725 Cb 0.02 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.60 2hgw s VAL 725 CO 0.17 0.54 0.27 -0.22 0.00 0.00 0.00 175.10 175.86 2hgw s LEU 726 N -0.23 4.99 -0.39 3.92 2.96 -0.08 -0.72 118.68 129.13 2hgw s LEU 726 Ca 0.05 -1.01 -0.29 0.00 -0.22 0.00 0.00 54.13 52.66 2hgw s LEU 726 Cb -0.12 -2.09 0.02 0.00 0.50 0.00 0.00 46.19 44.49 2hgw s LEU 726 CO 0.02 -0.44 1.22 0.26 -1.32 0.00 0.00 176.35 176.08 2hgw s TRP 727 N 1.61 2.77 0.13 5.38 0.52 -0.36 -4.39 118.94 124.61 2hgw s TRP 727 Ca 0.03 0.84 -0.02 0.00 0.02 0.00 0.00 56.10 56.98 2hgw s TRP 727 Cb -0.20 -4.13 -0.05 0.00 -1.15 0.00 0.00 33.47 27.94 2hgw s TRP 727 CO 0.08 -1.41 0.32 -0.51 0.02 0.00 0.00 176.95 175.46 2hgw s LEU 728 N 4.46 4.29 -0.04 2.99 1.43 -1.26 -1.19 118.68 129.36 2hgw s LEU 728 Ca 0.52 0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 53.99 2hgw s LEU 728 Cb -0.12 -3.14 0.01 0.00 0.03 0.00 0.00 46.19 42.97 2hgw s LEU 728 CO 0.26 0.06 0.12 -0.47 0.23 0.00 0.00 176.35 176.56 2hgw s TYR 729 N -1.68 -0.10 0.09 0.29 5.04 -0.43 -4.73 117.35 115.84 2hgw s TYR 729 Ca 0.38 0.24 0.00 0.00 -2.44 0.00 0.00 57.07 55.25 2hgw s TYR 729 Cb -0.12 0.03 0.00 0.00 0.35 0.00 0.00 41.96 42.22 2hgw s TYR 729 CO 0.27 -0.10 0.00 0.41 -1.34 0.00 0.00 175.55 174.79 2hgw n GLY 730 N 2.77 -1.95 0.27 8.97 0.00 -1.26 -0.48 105.19 113.50 2hgw n GLY 730 Ca -0.14 -1.43 0.15 0.00 0.00 0.00 0.00 46.02 44.60 2hgw n GLY 730 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hgw h PRO 731 N -0.27 0.00 -0.23 1.61 0.13 -2.01 -2.59 132.00 128.63 2hgw h PRO 731 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2hgw h PRO 731 Cb 0.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.40 2hgw h PRO 731 CO 0.01 0.08 0.00 -0.40 -0.23 0.00 0.00 178.00 177.46 2hgw n ASP 732 N -3.34 2.15 -3.44 1.44 5.75 -1.26 -4.99 116.55 112.86 2hgw n ASP 732 Ca -0.01 -1.80 -0.20 0.00 -0.01 0.00 0.00 54.79 52.77 2hgw n ASP 732 Cb 0.27 -0.15 0.04 0.00 -1.03 0.00 0.00 41.12 40.25 2hgw n ASP 732 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2hgw n HIS 733 N 0.65 -2.31 -2.34 2.11 8.25 -0.98 -3.96 115.22 116.65 2hgw n HIS 733 Ca 0.17 0.75 -0.42 0.00 -0.26 0.00 0.00 57.72 57.96 2hgw n HIS 733 Cb 0.40 -3.69 -0.03 0.00 1.12 0.00 0.00 29.99 27.79 2hgw n HIS 733 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2hgw s GLN 734 N -4.80 4.41 -0.23 -0.41 -0.21 0.37 -1.97 119.66 116.83 2hgw s GLN 734 Ca 0.32 1.89 -0.29 0.00 0.02 0.00 0.00 55.36 57.29 2hgw s GLN 734 Cb -0.09 -3.29 0.00 0.00 1.00 0.00 0.00 33.01 30.64 2hgw s GLN 734 CO 0.81 -0.27 1.13 -0.51 -2.12 0.00 0.00 175.29 174.33 2hgw s LEU 735 N 0.73 4.09 -0.09 2.90 1.02 0.22 -1.31 118.68 126.24 2hgw s LEU 735 Ca 0.59 1.42 -0.12 0.00 0.02 0.00 0.00 54.13 56.04 2hgw s LEU 735 Cb -0.32 -3.54 -0.04 0.00 0.02 0.00 0.00 46.19 42.31 2hgw s LEU 735 CO 0.31 -0.75 -0.23 0.35 0.02 0.00 0.00 176.35 176.05 2hgw n THR 736 N 5.46 1.41 -4.12 5.49 -2.24 -0.33 -4.62 114.28 115.33 2hgw n THR 736 Ca 0.13 0.23 -0.09 0.00 -2.27 0.00 0.00 64.05 62.05 2hgw n THR 736 Cb 0.46 -2.09 -0.10 0.00 -2.10 0.00 0.00 70.33 66.49 2hgw n THR 736 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2hgw s GLU 737 N -2.60 0.76 -0.32 -0.78 0.41 -1.24 -4.12 118.70 110.80 2hgw s GLU 737 Ca -0.19 -1.32 0.03 0.00 -0.41 0.00 0.00 54.97 53.07 2hgw s GLU 737 Cb 0.03 0.17 0.09 0.00 -1.78 0.00 0.00 34.13 32.64 2hgw s GLU 737 CO 0.29 -0.16 0.04 0.14 -0.49 0.00 0.00 175.26 175.08 2hgw s VAL 738 N -3.93 2.00 0.00 2.63 -7.23 0.64 -1.22 120.40 113.29 2hgw s VAL 738 Ca 0.14 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 2hgw s VAL 738 Cb 0.08 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.58 2hgw s VAL 738 CO -0.05 -0.54 0.00 0.61 -0.31 0.00 0.00 175.10 174.82 2hgw n GLY 739 N 4.39 2.92 1.38 2.32 0.00 0.10 -0.85 105.19 115.45 2hgw n GLY 739 Ca 0.01 0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 2hgw n GLY 739 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2hgw n THR 740 N 0.00 2.64 -4.21 2.61 -2.24 -1.26 -4.99 114.28 106.83 2hgw n THR 740 Ca 0.00 -2.98 -0.18 0.00 -2.27 0.00 0.00 64.05 58.62 2hgw n THR 740 Cb 0.00 -0.50 -0.11 0.00 -2.10 0.00 0.00 70.33 67.62 2hgw n THR 740 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2hgw s MET 741 N -3.35 0.93 0.39 -0.78 -1.94 -0.03 -4.86 119.30 109.65 2hgw s MET 741 Ca 0.47 -1.11 -0.23 0.00 -1.71 0.00 0.00 55.69 53.11 2hgw s MET 741 Cb 0.42 -0.86 -0.11 0.00 2.01 0.00 0.00 34.83 36.29 2hgw s MET 741 CO 0.00 0.18 0.95 -0.80 -0.01 0.00 0.00 175.02 175.33 2hgw s ASN 742 N -2.13 7.10 -0.12 3.03 0.01 -0.04 -0.26 114.94 122.53 2hgw s ASN 742 Ca 0.04 1.75 -0.04 0.00 -0.71 0.00 0.00 52.86 53.89 2hgw s ASN 742 Cb -0.07 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.00 2hgw s ASN 742 CO 0.02 -0.24 0.05 -0.51 -1.51 0.00 0.00 177.10 174.91 2hgw s ILE 743 N -1.95 4.72 0.05 0.60 2.07 -1.26 -0.16 121.20 125.26 2hgw s ILE 743 Ca 0.57 -0.08 0.07 0.00 -1.41 0.00 0.00 60.65 59.80 2hgw s ILE 743 Cb -0.13 -3.04 -0.02 0.00 0.13 0.00 0.00 42.46 39.40 2hgw s ILE 743 CO 0.17 0.58 -0.20 -0.36 -1.91 0.00 0.00 174.94 173.22 2hgw s PHE 744 N -0.62 1.71 -0.08 3.50 0.40 0.27 -4.17 117.98 118.99 2hgw s PHE 744 Ca 0.11 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 2hgw s PHE 744 Cb -0.12 -1.01 0.02 0.00 0.51 0.00 0.00 43.02 42.42 2hgw s PHE 744 CO 0.02 0.09 -0.10 0.08 0.70 0.00 0.00 175.22 176.01 2hgw s VAL 745 N -0.82 1.05 -0.30 -0.44 1.01 0.09 -1.68 120.40 119.31 2hgw s VAL 745 Ca 0.06 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.60 2hgw s VAL 745 Cb -0.09 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.30 2hgw s VAL 745 CO 0.02 0.35 0.07 -0.47 0.00 0.00 0.00 175.10 175.07 2hgw s TYR 746 N 1.08 3.16 0.34 5.22 5.04 0.84 -0.90 117.35 132.14 2hgw s TYR 746 Ca -0.07 -1.11 -0.11 0.00 -2.44 0.00 0.00 57.07 53.34 2hgw s TYR 746 Cb -0.14 -2.24 0.02 0.00 0.35 0.00 0.00 41.96 39.95 2hgw s TYR 746 CO -0.01 -0.62 0.62 1.67 -1.34 0.00 0.00 175.55 175.88 2hgw s TRP 747 N 1.47 0.46 -0.38 4.97 -2.14 -0.56 -1.18 118.94 121.58 2hgw s TRP 747 Ca 0.02 -0.91 -0.15 0.00 2.66 0.00 0.00 56.10 57.72 2hgw s TRP 747 Cb -0.17 0.40 0.00 0.00 -3.10 0.00 0.00 33.47 30.60 2hgw s TRP 747 CO 0.02 -1.30 0.30 0.99 -2.66 0.00 0.00 176.95 174.30 2hgw s THR 748 N -3.00 5.24 1.09 0.66 2.01 -0.45 -0.57 115.64 120.62 2hgw s THR 748 Ca 0.21 -0.37 -0.13 0.00 0.31 0.00 0.00 61.69 61.71 2hgw s THR 748 Cb -0.03 -3.85 0.24 0.00 0.01 0.00 0.00 72.50 68.87 2hgw s THR 748 CO 0.14 -0.19 1.07 -2.28 -0.69 0.00 0.00 174.62 172.67 2hgw s HIS 749 N 1.79 1.64 0.63 4.92 2.46 -0.33 -4.81 115.29 121.60 2hgw s HIS 749 Ca 0.07 0.97 0.31 0.00 0.47 0.00 0.00 55.06 56.88 2hgw s HIS 749 Cb -0.18 -3.22 1.70 0.00 -0.13 0.00 0.00 32.58 30.75 2hgw s HIS 749 CO 0.11 -3.40 2.01 0.93 -2.47 0.00 0.00 174.74 171.92 2hgw h GLU 750 N -2.27 0.00 0.00 2.88 5.08 -1.98 -0.91 114.58 117.39 2hgw h GLU 750 Ca -0.56 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 2hgw h GLU 750 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2hgw h GLU 750 CO 0.53 0.00 -0.63 0.38 -1.00 0.00 0.00 179.01 178.30 2hgw h ASP 751 N 0.00 0.00 0.00 1.42 3.04 -2.03 -3.48 116.42 115.37 2hgw h ASP 751 Ca 0.07 -0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 2hgw h ASP 751 Cb 0.65 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.94 2hgw h ASP 751 CO -0.00 0.04 0.00 0.61 -2.04 0.00 0.00 179.24 177.85 2hgw n GLY 752 N 1.23 0.88 3.81 7.15 0.00 -0.35 -5.10 105.19 112.81 2hgw n GLY 752 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 2hgw n GLY 752 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hgw s VAL 753 N -2.00 5.31 -0.08 1.61 1.01 -1.26 -4.83 120.40 120.16 2hgw s VAL 753 Ca 0.00 0.48 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 2hgw s VAL 753 Cb 0.00 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 2hgw s VAL 753 CO 0.00 0.53 1.36 -0.22 0.00 0.00 0.00 175.10 176.77 2hgw s LEU 754 N -0.51 4.26 0.06 3.92 0.20 -1.26 -1.18 118.68 124.17 2hgw s LEU 754 Ca 0.17 1.94 -0.05 0.00 0.69 0.00 0.00 54.13 56.88 2hgw s LEU 754 Cb -0.14 -3.55 -0.02 0.00 -0.43 0.00 0.00 46.19 42.06 2hgw s LEU 754 CO 0.06 -0.75 0.08 -1.83 -0.29 0.00 0.00 176.35 173.62 2hgw s GLU 755 N 3.04 0.68 -0.22 1.98 -1.05 0.26 -2.08 118.70 121.31 2hgw s GLU 755 Ca 0.61 -0.99 -0.02 0.00 -0.15 0.00 0.00 54.97 54.42 2hgw s GLU 755 Cb -0.27 0.26 0.01 0.00 -0.44 0.00 0.00 34.13 33.69 2hgw s GLU 755 CO 0.22 -0.17 -0.09 -1.17 0.95 0.00 0.00 175.26 175.00 2hgw s LEU 756 N -2.66 2.84 0.03 1.83 2.96 0.05 -1.49 118.68 122.24 2hgw s LEU 756 Ca 0.03 -0.67 0.08 0.00 -0.22 0.00 0.00 54.13 53.35 2hgw s LEU 756 Cb 0.04 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 2hgw s LEU 756 CO -0.09 -0.06 -0.24 0.54 -1.32 0.00 0.00 176.35 175.18 2hgw s VAL 757 N 1.36 1.91 0.02 1.68 0.11 -0.07 -1.76 120.40 123.64 2hgw s VAL 757 Ca 0.03 -1.25 -0.01 0.00 -2.93 0.00 0.00 61.98 57.81 2hgw s VAL 757 Cb -0.15 -1.64 -0.01 0.00 -1.53 0.00 0.00 36.38 33.05 2hgw s VAL 757 CO -0.06 0.33 0.00 0.28 -3.33 0.00 0.00 175.10 172.32 2hgw s THR 758 N -0.76 0.10 0.47 5.04 -1.32 -1.09 -0.73 115.64 117.36 2hgw s THR 758 Ca 0.10 -0.81 -0.24 0.00 -1.21 0.00 0.00 61.69 59.52 2hgw s THR 758 Cb -0.09 -0.27 -0.07 0.00 -1.51 0.00 0.00 72.50 70.55 2hgw s THR 758 CO 0.01 -0.45 1.37 -2.84 -2.21 0.00 0.00 174.62 170.51 2hgw s PRO 759 N -1.34 3.57 0.74 7.08 0.02 -1.24 -1.57 135.00 142.25 2hgw s PRO 759 Ca -0.15 2.29 -0.11 0.00 0.02 0.00 0.00 61.00 63.05 2hgw s PRO 759 Cb -0.09 -2.54 0.03 0.00 0.02 0.00 0.00 34.50 31.93 2hgw s PRO 759 CO -0.01 -0.86 1.08 -1.25 -0.33 0.00 0.00 177.00 175.63 2hgw s PRO 760 N -2.57 2.56 -1.27 5.54 0.04 -1.26 -4.76 135.00 133.28 2hgw s PRO 760 Ca 0.64 0.85 -0.16 0.00 0.04 0.00 0.00 61.00 62.37 2hgw s PRO 760 Cb -0.41 -1.96 0.10 0.00 0.04 0.00 0.00 34.50 32.28 2hgw s PRO 760 CO 0.51 -1.34 1.65 1.28 0.04 0.00 0.00 177.00 179.15 2hgw n LEU 761 N -3.28 5.07 -0.94 -3.56 4.77 -1.26 -4.72 117.00 113.09 2hgw n LEU 761 Ca 0.07 -4.10 0.08 0.00 -0.03 0.00 0.00 56.01 52.03 2hgw n LEU 761 Cb 0.54 -1.71 0.23 0.00 -2.33 0.00 0.00 43.42 40.16 2hgw n LEU 761 CO 0.56 0.36 0.69 -0.46 -1.33 0.00 0.00 177.39 177.21 2hgw n ASN 762 N 7.46 3.56 0.00 -1.43 0.23 -1.26 -4.97 115.26 118.84 2hgw n ASN 762 Ca 0.45 -2.28 0.00 0.00 -0.53 0.00 0.00 54.58 52.22 2hgw n ASN 762 Cb 0.45 -0.38 0.00 0.00 -2.08 0.00 0.00 39.78 37.76 2hgw n ASN 762 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2hgw n GLY 763 N 0.55 1.26 0.79 4.83 0.00 -1.26 -4.85 105.19 106.51 2hgw n GLY 763 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.30 2hgw n GLY 763 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hgw n VAL 764 N 0.00 0.00 -4.68 1.61 0.24 -1.26 -3.62 118.33 110.62 2hgw n VAL 764 Ca 0.00 -0.49 -0.33 0.00 -2.04 0.00 0.00 64.34 61.48 2hgw n VAL 764 Cb 0.00 1.41 -0.13 0.00 -1.47 0.00 0.00 33.84 33.65 2hgw n VAL 764 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2hgw s ILE 765 N -1.72 3.31 -0.16 1.34 -1.09 -1.26 -4.76 121.20 116.85 2hgw s ILE 765 Ca 0.23 -0.58 -0.29 0.00 -2.23 0.00 0.00 60.65 57.78 2hgw s ILE 765 Cb 0.17 -2.40 -0.00 0.00 -1.58 0.00 0.00 42.46 38.65 2hgw s ILE 765 CO 0.27 0.53 1.02 -0.22 -1.23 0.00 0.00 174.94 175.31 2hgw s LEU 766 N 0.19 4.18 -0.97 2.97 1.98 -1.24 -4.35 118.68 121.43 2hgw s LEU 766 Ca -0.06 1.46 -0.24 0.00 -2.89 0.00 0.00 54.13 52.40 2hgw s LEU 766 Cb -0.15 -3.55 -0.06 0.00 0.66 0.00 0.00 46.19 43.10 2hgw s LEU 766 CO 0.04 -0.55 1.95 -2.84 -1.89 0.00 0.00 176.35 173.06 2hgw s PRO 767 N 2.55 2.53 0.43 0.98 0.02 -1.26 -4.93 135.00 135.31 2hgw s PRO 767 Ca 0.46 -0.51 -0.24 0.00 0.02 0.00 0.00 61.00 60.73 2hgw s PRO 767 Cb -0.17 -5.11 -0.08 0.00 0.02 0.00 0.00 34.50 29.17 2hgw s PRO 767 CO 0.13 -3.55 1.18 0.20 -0.33 0.00 0.00 177.00 174.63 2hgw s GLY 768 N 7.66 2.84 0.07 0.52 0.00 -1.26 -4.97 107.32 112.17 2hgw s GLY 768 Ca 0.70 0.98 -0.15 0.00 0.00 0.00 0.00 44.72 46.25 2hgw s GLY 768 CO 0.03 1.48 1.24 -2.08 0.00 0.00 0.00 173.10 173.77 2hgw h VAL 769 N 2.15 1.32 -0.36 1.40 2.07 -1.96 -1.99 116.25 118.89 2hgw h VAL 769 Ca -0.49 -1.96 -0.10 0.00 0.82 0.00 0.00 66.70 64.97 2hgw h VAL 769 Cb 1.24 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 33.16 2hgw h VAL 769 CO 0.62 0.60 -0.19 0.58 0.02 0.00 0.00 177.57 179.20 2hgw h VAL 770 N 0.31 1.26 -0.05 2.57 2.07 -1.93 -1.04 116.25 119.44 2hgw h VAL 770 Ca -0.06 -1.25 0.01 0.00 0.82 0.00 0.00 66.70 66.22 2hgw h VAL 770 Cb 1.34 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 2hgw h VAL 770 CO 0.14 0.41 -0.00 -0.09 0.02 0.00 0.00 177.57 178.06 2hgw h ARG 771 N 0.60 0.02 -0.71 1.57 2.43 -1.85 -0.07 114.38 116.37 2hgw h ARG 771 Ca 0.09 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 2hgw h ARG 771 Cb 0.66 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 2hgw h ARG 771 CO 0.05 0.01 0.31 0.37 -1.51 0.00 0.00 179.97 179.20 2hgw h GLN 772 N 0.02 1.03 -0.57 0.20 5.75 -1.15 -2.35 115.11 118.04 2hgw h GLN 772 Ca 0.02 -0.16 -0.10 0.00 -0.15 0.00 0.00 58.65 58.26 2hgw h GLN 772 Cb 0.03 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.38 2hgw h GLN 772 CO -0.04 0.82 -0.04 0.77 -2.65 0.00 0.00 178.83 177.69 2hgw h SER 773 N 1.02 1.00 0.07 -0.69 0.02 -0.58 -1.29 113.55 113.10 2hgw h SER 773 Ca 0.24 -0.30 -0.13 0.00 -0.84 0.00 0.00 61.79 60.77 2hgw h SER 773 Cb 0.16 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2hgw h SER 773 CO -0.03 1.07 -0.44 -0.07 -1.14 0.00 0.00 176.83 176.23 2hgw h LEU 774 N 0.92 0.48 -0.35 5.07 3.38 -0.78 -1.44 115.31 122.59 2hgw h LEU 774 Ca 0.16 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 2hgw h LEU 774 Cb 0.58 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2hgw h LEU 774 CO 0.04 0.86 -0.21 -0.07 0.09 0.00 0.00 178.44 179.14 2hgw h LEU 775 N 0.37 0.79 -0.24 1.67 3.38 -1.19 -1.67 115.31 118.42 2hgw h LEU 775 Ca 0.03 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2hgw h LEU 775 Cb 0.92 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2hgw h LEU 775 CO 0.08 1.04 0.10 0.44 0.09 0.00 0.00 178.44 180.19 2hgw h ASP 776 N 0.54 0.33 -0.22 -0.43 3.45 -1.10 -1.90 116.42 117.09 2hgw h ASP 776 Ca 0.07 -0.16 -0.01 0.00 0.43 0.00 0.00 57.03 57.36 2hgw h ASP 776 Cb 0.76 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.44 2hgw h ASP 776 CO 0.06 0.40 0.09 -0.03 -1.57 0.00 0.00 179.24 178.20 2hgw h MET 777 N 0.23 0.33 -0.11 3.56 4.05 -1.27 -1.94 114.93 119.78 2hgw h MET 777 Ca 0.08 -0.06 -0.09 0.00 -0.28 0.00 0.00 59.70 59.36 2hgw h MET 777 Cb 0.18 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 2hgw h MET 777 CO -0.01 0.37 -0.32 0.00 0.23 0.00 0.00 176.91 177.18 2hgw h ALA 778 N 0.94 1.27 0.00 0.39 0.00 -1.27 -2.72 119.26 117.87 2hgw h ALA 778 Ca 0.07 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.47 2hgw h ALA 778 Cb 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2hgw h ALA 778 CO -0.01 0.50 -0.81 0.37 0.00 0.00 0.00 179.25 179.31 2hgw h GLN 779 N 0.18 0.04 -0.14 0.00 4.15 -1.22 -3.10 115.11 115.02 2hgw h GLN 779 Ca 0.02 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.28 2hgw h GLN 779 Cb 0.66 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 2hgw h GLN 779 CO 0.05 0.82 -0.48 1.15 -1.93 0.00 0.00 178.83 178.45 2hgw h THR 780 N 0.02 1.33 -0.29 2.39 2.02 -1.07 -3.13 112.91 114.17 2hgw h THR 780 Ca -0.01 -1.69 -0.05 0.00 0.77 0.00 0.00 66.41 65.43 2hgw h THR 780 Cb 1.42 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 69.57 2hgw h THR 780 CO 0.11 0.51 -0.02 -0.50 0.37 0.00 0.00 175.52 175.99 2hgw h TRP 781 N 0.28 0.59 -1.37 3.16 6.55 -1.46 -3.48 115.95 120.23 2hgw h TRP 781 Ca 0.02 -0.11 -0.26 0.00 0.95 0.00 0.00 58.89 59.49 2hgw h TRP 781 Cb 0.95 -0.15 -0.05 0.00 -0.86 0.00 0.00 29.16 29.05 2hgw h TRP 781 CO 0.02 0.69 -0.29 0.41 -1.05 0.00 0.00 178.44 178.22 2hgw n GLY 782 N -0.27 0.41 0.11 1.49 0.00 -1.17 -4.92 105.19 100.83 2hgw n GLY 782 Ca -0.03 -0.38 0.10 0.00 0.00 0.00 0.00 46.02 45.71 2hgw n GLY 782 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hgw n GLU 783 N -2.38 0.61 -4.00 1.61 1.02 -1.26 -4.98 120.64 111.26 2hgw n GLU 783 Ca -0.14 0.13 -0.09 0.00 -0.02 0.00 0.00 57.16 57.03 2hgw n GLU 783 Cb 0.54 -1.82 -0.05 0.00 -0.02 0.00 0.00 31.44 30.09 2hgw n GLU 783 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2hgw s PHE 784 N -3.32 0.40 0.11 -0.32 -0.71 -1.26 -5.04 117.98 107.84 2hgw s PHE 784 Ca -0.01 -0.76 -0.30 0.00 -1.04 0.00 0.00 56.93 54.82 2hgw s PHE 784 Cb 0.10 0.19 -0.06 0.00 -1.21 0.00 0.00 43.02 42.04 2hgw s PHE 784 CO 0.80 -1.02 1.07 0.50 -1.34 0.00 0.00 175.22 175.22 2hgw s ARG 785 N -3.90 4.58 -0.19 1.99 3.52 -0.88 -4.93 118.95 119.15 2hgw s ARG 785 Ca 0.23 1.61 0.01 0.00 -0.13 0.00 0.00 55.73 57.45 2hgw s ARG 785 Cb -0.01 -3.34 0.02 0.00 -1.56 0.00 0.00 34.95 30.06 2hgw s ARG 785 CO 0.10 0.03 -0.18 0.08 -0.81 0.00 0.00 175.30 174.52 2hgw s VAL 786 N 0.26 2.20 0.03 7.11 1.01 -1.26 -0.77 120.40 128.98 2hgw s VAL 786 Ca 0.51 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 2hgw s VAL 786 Cb -0.27 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 2hgw s VAL 786 CO 0.31 0.49 0.05 0.54 0.00 0.00 0.00 175.10 176.49 2hgw s VAL 787 N 1.30 0.13 -0.41 2.92 0.11 -0.72 -5.00 120.40 118.73 2hgw s VAL 787 Ca 0.04 -1.09 -0.06 0.00 -2.93 0.00 0.00 61.98 57.93 2hgw s VAL 787 Cb -0.14 -0.75 0.09 0.00 -1.53 0.00 0.00 36.38 34.06 2hgw s VAL 787 CO -0.11 -0.60 0.22 -1.61 -3.33 0.00 0.00 175.10 169.66 2hgw s GLU 788 N -2.32 2.38 0.02 1.54 2.02 -1.26 -2.66 118.70 118.42 2hgw s GLU 788 Ca -0.08 -1.59 -0.08 0.00 0.02 0.00 0.00 54.97 53.25 2hgw s GLU 788 Cb -0.03 -3.67 -0.00 0.00 0.10 0.00 0.00 34.13 30.53 2hgw s GLU 788 CO -0.04 -0.98 0.15 0.50 0.02 0.00 0.00 175.26 174.91 2hgw s ARG 789 N 1.31 0.57 0.28 1.61 3.52 -0.61 -4.59 118.95 121.03 2hgw s ARG 789 Ca 0.04 -0.55 -0.30 0.00 -0.13 0.00 0.00 55.73 54.80 2hgw s ARG 789 Cb -0.23 0.23 -0.10 0.00 -1.56 0.00 0.00 34.95 33.29 2hgw s ARG 789 CO -0.01 -0.15 1.43 0.99 -0.81 0.00 0.00 175.30 176.76 2hgw s THR 790 N -2.00 2.59 -0.17 4.11 2.01 -1.26 -3.73 115.64 117.19 2hgw s THR 790 Ca -0.10 0.51 0.01 0.00 0.31 0.00 0.00 61.69 62.43 2hgw s THR 790 Cb -0.04 -3.33 0.02 0.00 0.01 0.00 0.00 72.50 69.16 2hgw s THR 790 CO -0.01 0.09 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.18 2hgw s ILE 791 N -0.30 2.04 0.25 1.82 1.01 -1.26 -5.03 121.20 119.73 2hgw s ILE 791 Ca 0.57 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 60.34 2hgw s ILE 791 Cb -0.42 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 2hgw s ILE 791 CO 0.47 0.54 0.30 0.42 0.00 0.00 0.00 174.94 176.67 2hgw s THR 792 N 1.15 4.90 0.42 2.92 -4.23 -1.26 -0.61 115.64 118.92 2hgw s THR 792 Ca 0.01 -1.16 0.15 0.00 -1.18 0.00 0.00 61.69 59.51 2hgw s THR 792 Cb -0.14 -3.67 0.16 0.00 1.34 0.00 0.00 72.50 70.20 2hgw s THR 792 CO -0.10 -0.33 1.94 0.24 -0.54 0.00 0.00 174.62 175.84 2hgw h MET 793 N 1.29 0.00 -0.44 3.99 2.86 -1.52 -2.30 114.93 118.82 2hgw h MET 793 Ca -0.50 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.05 2hgw h MET 793 Cb 1.23 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 2hgw h MET 793 CO 0.61 0.24 -0.05 -0.22 1.06 0.00 0.00 176.91 178.54 2hgw h LYS 794 N 0.00 0.81 -0.61 1.72 3.64 -1.87 0.09 116.57 120.35 2hgw h LYS 794 Ca -0.00 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 59.06 2hgw h LYS 794 Cb 0.43 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 2hgw h LYS 794 CO 0.03 0.90 0.26 1.96 -2.27 0.00 0.00 179.45 180.33 2hgw h GLN 795 N 0.64 0.90 -0.34 1.90 4.20 -1.89 -1.20 115.11 119.33 2hgw h GLN 795 Ca 0.12 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 2hgw h GLN 795 Cb 0.57 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 2hgw h GLN 795 CO 0.03 0.76 -0.02 1.25 -0.67 0.00 0.00 178.83 180.18 2hgw h LEU 796 N 0.84 0.60 -0.45 1.46 7.12 -1.27 -1.43 115.31 122.18 2hgw h LEU 796 Ca 0.20 -0.32 -0.02 0.00 0.13 0.00 0.00 57.88 57.87 2hgw h LEU 796 Cb 0.18 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 40.13 2hgw h LEU 796 CO -0.02 0.78 0.20 -0.07 -0.13 0.00 0.00 178.44 179.20 2hgw h LEU 797 N 0.41 0.61 -0.92 2.25 3.38 -0.84 -0.36 115.31 119.84 2hgw h LEU 797 Ca 0.09 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 2hgw h LEU 797 Cb 0.48 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2hgw h LEU 797 CO 0.02 0.59 -0.34 -0.09 0.09 0.00 0.00 178.44 178.70 2hgw h ARG 798 N 0.59 0.37 -0.11 1.13 9.65 -1.18 -2.09 114.38 122.74 2hgw h ARG 798 Ca 0.15 -0.16 -0.16 0.00 -1.10 0.00 0.00 59.98 58.71 2hgw h ARG 798 Cb 0.15 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.71 2hgw h ARG 798 CO -0.02 0.67 -0.62 0.00 2.80 0.00 0.00 179.97 182.80 2hgw h ALA 799 N 1.32 0.72 -0.20 2.80 0.00 -0.95 -2.59 119.26 120.37 2hgw h ALA 799 Ca 0.04 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 2hgw h ALA 799 Cb 0.76 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2hgw h ALA 799 CO 0.06 0.72 -0.07 -0.07 0.00 0.00 0.00 179.25 179.89 2hgw h LEU 800 N 0.29 0.40 -1.03 0.00 3.38 -0.77 0.17 115.31 117.74 2hgw h LEU 800 Ca -0.01 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 2hgw h LEU 800 Cb 1.16 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2hgw h LEU 800 CO 0.11 0.70 -0.17 1.05 0.09 0.00 0.00 178.44 180.22 2hgw h GLU 801 N 0.10 0.00 -0.02 1.13 4.11 -1.41 -2.65 114.58 115.84 2hgw h GLU 801 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 2hgw h GLU 801 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2hgw h GLU 801 CO 0.02 0.17 -0.09 0.39 0.07 0.00 0.00 179.01 179.57 2hgw n GLU 802 N -3.28 1.52 -2.32 1.06 1.02 -0.98 -4.95 120.64 112.70 2hgw n GLU 802 Ca 0.01 -0.97 -0.14 0.00 -0.02 0.00 0.00 57.16 56.04 2hgw n GLU 802 Cb 0.43 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.36 2hgw n GLU 802 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hgw n GLY 803 N 1.25 -0.17 0.04 0.62 0.00 -0.87 -4.94 105.19 101.11 2hgw n GLY 803 Ca 0.16 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.99 2hgw n GLY 803 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgw n ARG 804 N -2.37 0.27 -2.88 1.61 1.74 0.54 -4.91 116.66 110.66 2hgw n ARG 804 Ca -0.15 0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.54 2hgw n ARG 804 Cb 0.62 -1.60 -0.04 0.00 -1.02 0.00 0.00 32.46 30.41 2hgw n ARG 804 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2hgw s VAL 805 N -3.18 4.87 -0.18 1.55 1.01 -1.22 -1.34 120.40 121.91 2hgw s VAL 805 Ca 0.05 1.77 -0.14 0.00 0.00 0.00 0.00 61.98 63.65 2hgw s VAL 805 Cb 0.14 -4.19 -0.07 0.00 0.00 0.00 0.00 36.38 32.27 2hgw s VAL 805 CO 0.78 0.25 -0.30 0.54 0.00 0.00 0.00 175.10 176.37 2hgw n ARG 806 N 3.54 0.47 -3.83 2.72 1.74 -0.33 -4.77 116.66 116.21 2hgw n ARG 806 Ca 0.02 0.19 -0.12 0.00 -0.77 0.00 0.00 57.85 57.17 2hgw n ARG 806 Cb 0.51 -1.30 -0.12 0.00 -1.02 0.00 0.00 32.46 30.52 2hgw n ARG 806 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2hgw s GLU 807 N -2.64 0.21 -0.05 5.56 2.02 -0.82 -3.67 118.70 119.32 2hgw s GLU 807 Ca -0.28 0.14 0.02 0.00 0.02 0.00 0.00 54.97 54.88 2hgw s GLU 807 Cb 0.07 0.10 0.01 0.00 0.10 0.00 0.00 34.13 34.41 2hgw s GLU 807 CO 0.38 -0.03 -0.11 0.08 0.02 0.00 0.00 175.26 175.60 2hgw s VAL 808 N -0.09 0.99 0.17 2.63 1.01 -1.26 -0.11 120.40 123.74 2hgw s VAL 808 Ca -0.02 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 2hgw s VAL 808 Cb -0.02 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.47 2hgw s VAL 808 CO 0.00 0.32 0.45 0.72 0.00 0.00 0.00 175.10 176.60 2hgw s PHE 809 N 0.58 -0.07 0.06 5.22 -0.71 -0.68 -1.19 117.98 121.20 2hgw s PHE 809 Ca -0.12 -0.27 0.03 0.00 -1.04 0.00 0.00 56.93 55.54 2hgw s PHE 809 Cb -0.14 0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.92 2hgw s PHE 809 CO 0.03 -0.83 0.04 0.20 -1.34 0.00 0.00 175.22 173.32 2hgw s GLY 810 N -2.87 1.97 -0.02 1.99 0.00 -0.04 -0.56 107.32 107.79 2hgw s GLY 810 Ca 0.08 -1.02 0.03 0.00 0.00 0.00 0.00 44.72 43.82 2hgw s GLY 810 CO -0.05 -0.97 -0.12 -1.35 0.00 0.00 0.00 173.10 170.61 2hgw s SER 811 N -2.15 1.51 -0.24 1.64 1.04 0.77 -1.12 113.70 115.14 2hgw s SER 811 Ca 0.26 -0.24 -0.37 0.00 0.48 0.00 0.00 55.95 56.08 2hgw s SER 811 Cb -0.12 -0.32 0.16 0.00 0.10 0.00 0.00 66.02 65.83 2hgw s SER 811 CO 0.18 0.12 1.40 -0.83 0.98 0.00 0.00 173.24 175.09 2hgw s GLY 812 N -0.01 -0.27 0.13 7.32 0.00 -1.06 -0.86 107.32 112.56 2hgw s GLY 812 Ca -0.00 1.69 -0.20 0.00 0.00 0.00 0.00 44.72 46.20 2hgw s GLY 812 CO 0.00 0.53 1.69 -0.84 0.00 0.00 0.00 173.10 174.48 2hgw h THR 813 N 2.00 0.72 0.48 0.90 2.02 -1.90 0.18 112.91 117.31 2hgw h THR 813 Ca -0.10 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 2hgw h THR 813 Cb 1.14 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2hgw h THR 813 CO 0.21 0.00 -0.24 0.00 0.37 0.00 0.00 175.52 175.87 2hgw h ALA 814 N 1.11 -0.65 -0.01 6.16 0.00 -1.97 -3.25 119.26 120.65 2hgw h ALA 814 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2hgw h ALA 814 Cb 0.21 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2hgw h ALA 814 CO -0.23 -0.87 -0.32 0.00 0.00 0.00 0.00 179.25 177.83 2hgw n GLN 816 N -0.16 0.00 -3.74 0.00 1.13 0.05 -4.30 117.38 110.37 2hgw n GLN 816 Ca 0.11 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.93 2hgw n GLN 816 Cb 0.42 0.00 -0.17 0.00 0.11 0.00 0.00 30.24 30.60 2hgw n GLN 816 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2hgw s VAL 817 N 0.00 0.33 -0.27 5.09 1.01 -1.26 -2.56 120.40 122.73 2hgw s VAL 817 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 61.98 61.91 2hgw s VAL 817 Cb 0.00 -0.64 0.05 0.00 0.00 0.00 0.00 36.38 35.79 2hgw s VAL 817 CO 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 175.10 175.12 2hgw s ALA 818 N 1.98 2.70 0.43 5.51 0.00 -0.28 -4.89 121.76 127.20 2hgw s ALA 818 Ca 0.03 -1.69 -0.25 0.00 0.00 0.00 0.00 51.96 50.05 2hgw s ALA 818 Cb -0.14 -1.76 -0.08 0.00 0.00 0.00 0.00 23.12 21.14 2hgw s ALA 818 CO -0.06 -1.14 1.21 -1.25 0.00 0.00 0.00 175.76 174.52 2hgw s PRO 819 N 1.22 3.90 -0.16 0.00 0.04 -1.26 -0.86 135.00 137.88 2hgw s PRO 819 Ca -0.05 1.91 -0.04 0.00 0.04 0.00 0.00 61.00 62.86 2hgw s PRO 819 Cb -0.19 -2.60 -0.03 0.00 0.04 0.00 0.00 34.50 31.73 2hgw s PRO 819 CO -0.03 -0.47 -0.04 0.08 0.04 0.00 0.00 177.00 176.58 2hgw s VAL 820 N -1.41 3.84 -0.13 -0.36 1.01 -0.33 -1.02 120.40 122.00 2hgw s VAL 820 Ca 0.60 -0.37 0.07 0.00 0.00 0.00 0.00 61.98 62.27 2hgw s VAL 820 Cb -0.32 -2.69 -0.10 0.00 0.00 0.00 0.00 36.38 33.27 2hgw s VAL 820 CO 0.40 0.48 0.21 0.00 0.00 0.00 0.00 175.10 176.19 2hgw n HIS 821 N 3.67 0.00 -3.72 5.22 1.44 -0.76 -4.28 115.22 116.79 2hgw n HIS 821 Ca -0.17 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.41 2hgw n HIS 821 Cb 0.52 -0.10 -0.10 0.00 0.12 0.00 0.00 29.99 30.43 2hgw n HIS 821 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 2hgw s ARG 822 N -2.18 0.50 -0.10 -1.40 3.52 -1.23 -0.98 118.95 117.07 2hgw s ARG 822 Ca -0.01 0.61 0.00 0.00 -0.13 0.00 0.00 55.73 56.20 2hgw s ARG 822 Cb 0.05 0.24 0.02 0.00 -1.56 0.00 0.00 34.95 33.70 2hgw s ARG 822 CO 0.29 -0.06 -0.09 0.42 -0.81 0.00 0.00 175.30 175.05 2hgw s ILE 823 N 0.27 1.05 -0.40 4.11 1.01 -0.33 0.10 121.20 127.01 2hgw s ILE 823 Ca -0.00 -0.33 -0.19 0.00 0.00 0.00 0.00 60.65 60.14 2hgw s ILE 823 Cb -0.03 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.41 2hgw s ILE 823 CO 0.00 0.36 0.52 -0.22 0.00 0.00 0.00 174.94 175.61 2hgw s LEU 824 N 1.50 4.57 -0.02 2.97 2.96 0.10 -0.68 118.68 130.08 2hgw s LEU 824 Ca 0.01 -0.36 0.00 0.00 -0.22 0.00 0.00 54.13 53.57 2hgw s LEU 824 Cb -0.13 -2.55 0.03 0.00 0.50 0.00 0.00 46.19 44.03 2hgw s LEU 824 CO -0.06 -0.61 0.02 -0.47 -1.32 0.00 0.00 176.35 173.92 2hgw s TYR 825 N 2.43 0.13 -1.51 5.38 6.14 -0.71 -0.42 117.35 128.79 2hgw s TYR 825 Ca 0.17 0.09 -0.09 0.00 0.64 0.00 0.00 57.07 57.89 2hgw s TYR 825 Cb -0.16 -0.31 0.07 0.00 0.42 0.00 0.00 41.96 41.99 2hgw s TYR 825 CO 0.15 -0.11 0.72 1.63 0.64 0.00 0.00 175.55 178.58 2hgw n LYS 826 N 4.22 -4.12 -1.20 4.97 5.02 -1.26 -1.78 118.16 124.02 2hgw n LYS 826 Ca -0.26 0.48 -0.07 0.00 -2.02 0.00 0.00 58.31 56.44 2hgw n LYS 826 Cb 0.50 -5.05 -0.03 0.00 -0.02 0.00 0.00 35.03 30.43 2hgw n LYS 826 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2hgw n ASP 827 N -2.86 -5.07 -4.31 4.39 9.92 -1.26 -5.00 116.55 112.36 2hgw n ASP 827 Ca -0.10 0.17 -0.32 0.00 -0.53 0.00 0.00 54.79 54.00 2hgw n ASP 827 Cb 0.59 -3.16 -0.16 0.00 -0.64 0.00 0.00 41.12 37.75 2hgw n ASP 827 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 2hgw s ARG 828 N -2.27 2.92 -0.33 -1.24 3.00 -0.73 -5.10 118.95 115.20 2hgw s ARG 828 Ca 0.00 -0.80 -0.23 0.00 0.00 0.00 0.00 55.73 54.70 2hgw s ARG 828 Cb 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 34.95 32.59 2hgw s ARG 828 CO 0.00 0.31 0.77 -0.80 0.00 0.00 0.00 175.30 175.58 2hgw s ASN 829 N 0.04 6.61 -0.26 0.23 0.01 -1.26 -1.73 114.94 118.57 2hgw s ASN 829 Ca -0.08 0.53 -0.09 0.00 -0.71 0.00 0.00 52.86 52.51 2hgw s ASN 829 Cb -0.15 -2.39 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 2hgw s ASN 829 CO 0.05 -0.64 0.11 -0.76 -1.51 0.00 0.00 177.10 174.35 2hgw s LEU 830 N 2.97 3.65 0.01 0.60 1.43 0.14 -4.98 118.68 122.51 2hgw s LEU 830 Ca 0.31 -0.15 -0.27 0.00 -1.03 0.00 0.00 54.13 52.99 2hgw s LEU 830 Cb -0.14 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 2hgw s LEU 830 CO 0.14 -0.04 0.86 -2.28 0.23 0.00 0.00 176.35 175.26 2hgw s HIS 831 N 1.66 3.68 -0.26 0.29 5.65 -1.26 -1.18 115.29 123.88 2hgw s HIS 831 Ca 0.07 1.56 -0.07 0.00 0.25 0.00 0.00 55.06 56.86 2hgw s HIS 831 Cb -0.15 -2.96 -0.03 0.00 -1.18 0.00 0.00 32.58 28.26 2hgw s HIS 831 CO 0.06 0.12 0.08 0.42 -0.65 0.00 0.00 174.74 174.76 2hgw s ILE 832 N 0.54 4.32 -0.96 0.89 -1.09 -0.15 -4.97 121.20 119.78 2hgw s ILE 832 Ca 0.45 -0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 2hgw s ILE 832 Cb -0.20 -3.04 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 2hgw s ILE 832 CO 0.25 0.31 0.08 -0.81 -1.23 0.00 0.00 174.94 173.54 2hgw n PRO 833 N 4.93 0.15 -2.52 2.79 -0.04 -1.26 -4.49 135.00 134.55 2hgw n PRO 833 Ca -0.16 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.92 2hgw n PRO 833 Cb 0.51 -1.09 -0.04 0.00 -0.04 0.00 0.00 33.50 32.84 2hgw n PRO 833 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2hgw s THR 834 N -0.92 3.64 0.00 0.52 2.01 -1.24 -2.59 115.64 117.06 2hgw s THR 834 Ca 0.00 1.41 0.00 0.00 0.31 0.00 0.00 61.69 63.41 2hgw s THR 834 Cb 0.00 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.71 2hgw s THR 834 CO 0.00 0.16 0.00 0.23 -0.69 0.00 0.00 174.62 174.32 2hgw n MET 835 N 0.45 0.00 0.21 4.92 2.81 -1.26 -4.74 117.12 119.50 2hgw n MET 835 Ca 0.02 0.00 0.10 0.00 -1.81 0.00 0.00 57.70 56.01 2hgw n MET 835 Cb 0.48 0.00 0.26 0.00 -0.71 0.00 0.00 33.22 33.25 2hgw n MET 835 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2hgw h GLU 836 N 0.00 0.00 -0.77 0.03 3.07 -1.87 -3.03 114.58 112.02 2hgw h GLU 836 Ca 0.00 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.65 2hgw h GLU 836 Cb 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 27.78 2hgw h GLU 836 CO 0.00 0.18 0.27 0.09 -1.40 0.00 0.00 179.01 178.15 2hgw n ASN 837 N -3.19 4.82 0.00 1.42 3.02 -1.07 -4.97 115.26 115.29 2hgw n ASN 837 Ca 0.02 -3.18 0.00 0.00 -0.03 0.00 0.00 54.58 51.40 2hgw n ASN 837 Cb 0.53 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 2hgw n ASN 837 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hgw n GLY 838 N -0.11 1.98 3.55 7.41 0.00 -1.14 -1.84 105.19 115.05 2hgw n GLY 838 Ca 0.40 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2hgw n GLY 838 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hgw s PRO 839 N 0.00 3.40 0.22 1.61 0.04 -1.26 -4.80 135.00 134.22 2hgw s PRO 839 Ca 0.00 -0.73 -0.14 0.00 0.04 0.00 0.00 61.00 60.17 2hgw s PRO 839 Cb 0.00 -4.80 0.26 0.00 0.04 0.00 0.00 34.50 30.00 2hgw s PRO 839 CO 0.00 -2.17 1.59 0.93 0.04 0.00 0.00 177.00 177.40 2hgw h GLU 840 N 9.88 -0.04 -0.30 4.56 5.08 -1.75 0.06 114.58 132.08 2hgw h GLU 840 Ca -0.03 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 2hgw h GLU 840 Cb 1.03 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 2hgw h GLU 840 CO 1.35 -0.03 -0.38 1.25 -1.00 0.00 0.00 179.01 180.20 2hgw h LEU 841 N -0.04 0.86 -0.33 1.33 5.85 -1.99 -2.12 115.31 118.86 2hgw h LEU 841 Ca 0.33 -0.49 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2hgw h LEU 841 Cb 0.56 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2hgw h LEU 841 CO -0.78 1.18 0.15 0.40 -0.34 0.00 0.00 178.44 179.05 2hgw h ILE 842 N 0.55 1.17 -0.28 4.05 2.04 -1.88 -0.46 117.51 122.70 2hgw h ILE 842 Ca 0.04 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.35 2hgw h ILE 842 Cb 0.97 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 2hgw h ILE 842 CO 0.09 0.18 -0.09 -0.07 0.00 0.00 0.00 178.15 178.26 2hgw h LEU 843 N 0.39 0.44 -0.23 1.44 3.38 -1.00 0.19 115.31 119.91 2hgw h LEU 843 Ca 0.11 -0.10 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 2hgw h LEU 843 Cb 0.14 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2hgw h LEU 843 CO -0.01 0.57 -0.56 -0.09 0.09 0.00 0.00 178.44 178.44 2hgw h ARG 844 N 0.43 0.79 -0.32 1.13 2.43 -1.07 -0.88 114.38 116.89 2hgw h ARG 844 Ca 0.09 -0.54 -0.03 0.00 -0.81 0.00 0.00 59.98 58.68 2hgw h ARG 844 Cb 0.43 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2hgw h ARG 844 CO 0.02 1.16 0.06 0.74 -1.51 0.00 0.00 179.97 180.45 2hgw h PHE 845 N 0.53 0.55 -0.61 2.20 0.05 -0.80 -1.54 116.94 117.32 2hgw h PHE 845 Ca -0.00 -0.07 -0.04 0.00 3.82 0.00 0.00 57.97 61.68 2hgw h PHE 845 Cb 1.17 -0.15 -0.03 0.00 2.00 0.00 0.00 35.95 38.94 2hgw h PHE 845 CO 0.08 0.59 0.24 0.37 -0.18 0.00 0.00 178.31 179.41 2hgw h GLN 846 N 0.36 0.92 -0.17 1.51 4.15 -0.94 0.52 115.11 121.45 2hgw h GLN 846 Ca 0.10 -0.17 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 2hgw h GLN 846 Cb 0.32 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 2hgw h GLN 846 CO 0.00 0.78 0.06 -0.22 -1.93 0.00 0.00 178.83 177.52 2hgw h LYS 847 N 0.85 0.26 -0.16 1.69 3.64 -1.07 0.03 116.57 121.82 2hgw h LYS 847 Ca 0.20 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.41 2hgw h LYS 847 Cb 0.20 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2hgw h LYS 847 CO -0.02 0.36 -0.43 0.93 -2.27 0.00 0.00 179.45 178.02 2hgw h GLU 848 N 0.11 0.38 -0.30 1.90 5.08 -1.12 -1.76 114.58 118.87 2hgw h GLU 848 Ca 0.06 -0.20 -0.17 0.00 -1.00 0.00 0.00 59.36 58.05 2hgw h GLU 848 Cb 0.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2hgw h GLU 848 CO -0.00 0.75 -0.46 -0.07 -1.00 0.00 0.00 179.01 178.22 2hgw h LEU 849 N 0.31 0.92 -1.10 1.33 3.38 -0.80 -2.45 115.31 116.91 2hgw h LEU 849 Ca 0.02 -0.52 -0.05 0.00 0.09 0.00 0.00 57.88 57.43 2hgw h LEU 849 Cb 0.89 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2hgw h LEU 849 CO 0.07 1.26 0.06 0.11 0.09 0.00 0.00 178.44 180.04 2hgw h LYS 850 N 0.61 0.71 -0.45 1.13 1.57 -0.84 0.11 116.57 119.41 2hgw h LYS 850 Ca 0.03 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 2hgw h LYS 850 Cb 1.07 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 2hgw h LYS 850 CO 0.11 0.68 -0.12 0.93 -0.57 0.00 0.00 179.45 180.47 2hgw h GLU 851 N 0.68 0.88 0.04 3.15 5.08 -1.23 -1.52 114.58 121.65 2hgw h GLU 851 Ca 0.15 -0.34 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2hgw h GLU 851 Cb 0.32 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2hgw h GLU 851 CO 0.01 0.98 -0.02 0.82 -1.00 0.00 0.00 179.01 179.80 2hgw h ILE 852 N 0.71 1.33 -0.83 3.13 2.04 -1.20 0.13 117.51 122.82 2hgw h ILE 852 Ca 0.11 -1.31 0.01 0.00 1.00 0.00 0.00 64.86 64.67 2hgw h ILE 852 Cb 0.66 2.19 -0.04 0.00 -0.74 0.00 0.00 36.82 38.89 2hgw h ILE 852 CO 0.05 0.33 0.55 1.56 0.00 0.00 0.00 178.15 180.63 2hgw h GLN 853 N -0.64 1.10 -0.34 2.37 4.20 -0.81 -2.73 115.11 118.27 2hgw h GLN 853 Ca -0.01 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2hgw h GLN 853 Cb 0.57 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2hgw h GLN 853 CO 0.01 0.74 0.00 0.66 -0.67 0.00 0.00 178.83 179.56 2hgw n TYR 854 N -4.50 0.44 -1.07 2.96 4.02 -0.57 -4.64 117.16 113.80 2hgw n TYR 854 Ca 0.09 -0.22 -0.02 0.00 -0.01 0.00 0.00 57.90 57.73 2hgw n TYR 854 Cb 0.02 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.33 2hgw n TYR 854 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2hgw n GLY 855 N 1.21 0.58 0.19 2.72 0.00 -1.03 -4.25 105.19 104.61 2hgw n GLY 855 Ca 0.16 -0.55 -0.01 0.00 0.00 0.00 0.00 46.02 45.62 2hgw n GLY 855 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2hgw h ILE 856 N 0.00 1.31 -3.26 -0.61 1.08 -1.03 -3.40 117.51 111.59 2hgw h ILE 856 Ca -0.05 -1.49 -0.56 0.00 -0.39 0.00 0.00 64.86 62.37 2hgw h ILE 856 Cb 0.24 1.70 -0.35 0.00 -3.07 0.00 0.00 36.82 35.33 2hgw h ILE 856 CO 0.07 0.44 -0.82 -0.60 -0.69 0.00 0.00 178.15 176.55 2hgw s ARG 857 N -4.14 1.94 0.28 2.37 6.06 -0.74 -5.02 118.95 119.71 2hgw s ARG 857 Ca -0.04 -0.45 -0.29 0.00 -2.50 0.00 0.00 55.73 52.44 2hgw s ARG 857 Cb 0.14 -1.73 -0.10 0.00 0.06 0.00 0.00 34.95 33.32 2hgw s ARG 857 CO 0.76 -0.11 1.26 0.00 -2.50 0.00 0.00 175.30 174.71 2hgw s ALA 858 N 1.15 3.48 -0.12 6.12 0.00 -1.26 -4.36 121.76 126.77 2hgw s ALA 858 Ca -0.04 1.13 -0.19 0.00 0.00 0.00 0.00 51.96 52.86 2hgw s ALA 858 Cb -0.14 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.58 2hgw s ALA 858 CO -0.03 -0.50 0.49 -1.58 0.00 0.00 0.00 175.76 174.14 2hgw s HIS 859 N -0.81 -0.48 -0.70 0.00 2.46 -1.26 -5.03 115.29 109.47 2hgw s HIS 859 Ca 0.50 1.05 0.16 0.00 0.47 0.00 0.00 55.06 57.24 2hgw s HIS 859 Cb -0.37 0.21 0.72 0.00 -0.13 0.00 0.00 32.58 33.01 2hgw s HIS 859 CO 0.46 -0.36 1.50 -0.85 -2.47 0.00 0.00 174.74 173.02 2hgw n GLU 860 N 2.08 0.09 0.23 2.88 0.28 -1.26 -2.10 120.64 122.83 2hgw n GLU 860 Ca -0.16 0.41 0.10 0.00 -0.16 0.00 0.00 57.16 57.35 2hgw n GLU 860 Cb 0.56 -1.70 0.47 0.00 1.43 0.00 0.00 31.44 32.20 2hgw n GLU 860 CO 0.00 0.00 0.00 -1.49 -0.16 0.00 0.00 177.13 175.48 2hgw h TRP 861 N 0.00 0.00 -3.29 -1.84 6.55 -1.95 -3.44 115.95 111.98 2hgw h TRP 861 Ca 0.00 0.00 -0.59 0.00 0.95 0.00 0.00 58.89 59.25 2hgw h TRP 861 Cb 0.20 0.00 -0.09 0.00 -0.86 0.00 0.00 29.16 28.41 2hgw h TRP 861 CO 0.00 0.21 -0.26 -1.64 -1.05 0.00 0.00 178.44 175.69 2hgw s MET 862 N -3.64 4.27 -0.33 0.49 -1.94 -0.89 -0.89 119.30 116.36 2hgw s MET 862 Ca 0.01 0.22 -0.07 0.00 -1.71 0.00 0.00 55.69 54.13 2hgw s MET 862 Cb 0.10 -3.42 0.03 0.00 2.01 0.00 0.00 34.83 33.55 2hgw s MET 862 CO 0.63 0.23 0.12 0.12 -0.01 0.00 0.00 175.02 176.11 2hgw s PHE 863 N 0.46 3.22 0.30 -0.03 5.36 -0.51 -4.92 117.98 121.85 2hgw s PHE 863 Ca 0.20 -1.19 -0.29 0.00 -0.96 0.00 0.00 56.93 54.69 2hgw s PHE 863 Cb -0.14 -2.30 -0.10 0.00 -0.34 0.00 0.00 43.02 40.15 2hgw s PHE 863 CO 0.06 -0.66 1.12 -2.14 -1.46 0.00 0.00 175.22 172.13 2hgw s PRO 864 N 1.46 4.56 0.00 10.12 0.02 -1.26 -0.49 135.00 149.40 2hgw s PRO 864 Ca 0.00 1.82 0.27 0.00 0.02 0.00 0.00 61.00 63.11 2hgw s PRO 864 Cb -0.19 -3.11 0.80 0.00 0.02 0.00 0.00 34.50 32.02 2hgw s PRO 864 CO 0.03 0.13 1.60 1.33 -0.33 0.00 0.00 177.00 179.77