#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgx s SER 504 N 0.00 6.08 0.49 -3.46 0.15 -1.26 -4.32 113.70 111.38 2hgx s SER 504 Ca 0.00 0.60 -0.20 0.00 0.70 0.00 0.00 55.95 57.05 2hgx s SER 504 Cb 0.00 -1.94 -0.08 0.00 -1.71 0.00 0.00 66.02 62.29 2hgx s SER 504 CO 0.00 -0.59 1.07 0.72 1.20 0.00 0.00 173.24 175.64 2hgx s PHE 505 N -2.60 2.91 -0.06 3.44 -0.71 -1.26 -4.96 117.98 114.74 2hgx s PHE 505 Ca 0.46 1.57 0.02 0.00 -1.04 0.00 0.00 56.93 57.94 2hgx s PHE 505 Cb -0.10 -3.15 -0.03 0.00 -1.21 0.00 0.00 43.02 38.53 2hgx s PHE 505 CO 0.41 -1.06 -0.09 0.15 -1.34 0.00 0.00 175.22 173.29 2hgx s LYS 506 N -3.16 2.68 0.51 1.99 -0.14 -1.26 -4.79 119.74 115.56 2hgx s LYS 506 Ca 0.68 -0.59 0.33 0.00 -1.36 0.00 0.00 55.97 55.03 2hgx s LYS 506 Cb -0.20 -2.54 1.43 0.00 -1.68 0.00 0.00 37.83 34.85 2hgx s LYS 506 CO 0.23 0.65 1.97 0.00 -0.76 0.00 0.00 175.35 177.45 2hgx h ALA 507 N 5.23 1.00 0.00 5.17 0.00 -1.96 -2.13 119.26 126.57 2hgx h ALA 507 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2hgx h ALA 507 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2hgx h ALA 507 CO 0.52 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.77 2hgx h ALA 508 N 2.05 1.00 -0.58 0.00 0.00 -1.95 -2.94 119.26 116.84 2hgx h ALA 508 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2hgx h ALA 508 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2hgx h ALA 508 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 2hgx n ASP 509 N -2.92 3.11 -4.70 0.00 8.00 -0.80 -4.98 116.55 114.26 2hgx n ASP 509 Ca 0.03 -2.00 -0.42 0.00 0.71 0.00 0.00 54.79 53.11 2hgx n ASP 509 Cb 0.40 -0.39 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 2hgx n ASP 509 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2hgx s LEU 510 N -1.01 4.37 -0.18 0.64 2.96 -1.11 -4.34 118.68 120.01 2hgx s LEU 510 Ca 0.39 2.59 -0.08 0.00 -0.22 0.00 0.00 54.13 56.82 2hgx s LEU 510 Cb 0.20 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.28 2hgx s LEU 510 CO 0.27 -0.90 0.07 -1.10 -1.32 0.00 0.00 176.35 173.36 2hgx s GLN 511 N 2.25 3.96 -0.22 1.98 -1.52 -0.59 -5.02 119.66 120.50 2hgx s GLN 511 Ca 0.75 -0.32 -0.02 0.00 -1.95 0.00 0.00 55.36 53.81 2hgx s GLN 511 Cb -0.42 -3.23 0.01 0.00 -0.22 0.00 0.00 33.01 29.15 2hgx s GLN 511 CO 0.33 0.31 -0.08 -1.17 -0.25 0.00 0.00 175.29 174.43 2hgx s LEU 512 N 0.27 2.85 -0.28 2.90 2.96 -1.26 -0.71 118.68 125.41 2hgx s LEU 512 Ca 0.04 -0.61 0.01 0.00 -0.22 0.00 0.00 54.13 53.35 2hgx s LEU 512 Cb -0.12 -1.66 0.05 0.00 0.50 0.00 0.00 46.19 44.96 2hgx s LEU 512 CO -0.00 -0.05 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.22 2hgx s GLU 513 N 1.39 2.37 0.43 1.98 2.12 0.16 -5.00 118.70 122.15 2hgx s GLU 513 Ca 0.04 -1.29 -0.21 0.00 0.36 0.00 0.00 54.97 53.87 2hgx s GLU 513 Cb -0.15 -3.03 -0.10 0.00 0.26 0.00 0.00 34.13 31.11 2hgx s GLU 513 CO -0.06 -0.58 0.98 1.41 -0.54 0.00 0.00 175.26 176.47 2hgx s MET 514 N 1.18 4.14 0.23 4.30 -2.45 -1.26 -3.58 119.30 121.87 2hgx s MET 514 Ca -0.07 1.22 -0.30 0.00 -1.25 0.00 0.00 55.69 55.30 2hgx s MET 514 Cb -0.20 -2.23 -0.09 0.00 1.25 0.00 0.00 34.83 33.57 2hgx s MET 514 CO -0.03 -0.12 1.16 -0.08 1.05 0.00 0.00 175.02 177.00 2hgx s THR 515 N -2.06 3.48 -0.14 10.11 -1.32 -1.26 -4.82 115.64 119.64 2hgx s THR 515 Ca 0.62 1.36 0.16 0.00 -1.21 0.00 0.00 61.69 62.62 2hgx s THR 515 Cb -0.12 -3.86 -0.05 0.00 -1.51 0.00 0.00 72.50 66.96 2hgx s THR 515 CO 0.16 0.27 1.09 1.56 -2.21 0.00 0.00 174.62 175.50 2hgx h GLN 516 N 4.53 0.00 -3.06 7.08 1.08 -1.98 -3.41 115.11 119.34 2hgx h GLN 516 Ca -0.46 0.00 -0.62 0.00 -1.45 0.00 0.00 58.65 56.13 2hgx h GLN 516 Cb 1.21 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 28.24 2hgx h GLN 516 CO 0.71 0.36 -0.71 0.15 -0.95 0.00 0.00 178.83 178.39 2hgx s LYS 517 N -2.96 1.49 0.32 1.46 -0.14 -1.26 -5.12 119.74 113.53 2hgx s LYS 517 Ca 0.00 -2.21 -0.28 0.00 -1.36 0.00 0.00 55.97 52.12 2hgx s LYS 517 Cb 0.08 -2.58 -0.10 0.00 -1.68 0.00 0.00 37.83 33.56 2hgx s LYS 517 CO 0.78 -1.16 1.18 -2.14 -0.76 0.00 0.00 175.35 173.25 2hgx s PRO 518 N 0.11 4.42 0.31 -1.68 0.02 -1.26 -5.02 135.00 131.89 2hgx s PRO 518 Ca 0.18 1.95 -0.19 0.00 0.02 0.00 0.00 61.00 62.95 2hgx s PRO 518 Cb -0.23 -3.03 -0.09 0.00 0.02 0.00 0.00 34.50 31.17 2hgx s PRO 518 CO -0.01 -0.03 0.80 -1.01 -0.33 0.00 0.00 177.00 176.41 2hgx s HIS 519 N -1.22 3.51 0.02 6.54 3.76 -1.26 -5.02 115.29 121.63 2hgx s HIS 519 Ca 0.49 1.43 -0.30 0.00 -0.15 0.00 0.00 55.06 56.52 2hgx s HIS 519 Cb -0.34 -2.68 -0.07 0.00 1.11 0.00 0.00 32.58 30.61 2hgx s HIS 519 CO 0.44 0.16 1.55 -1.59 -0.85 0.00 0.00 174.74 174.45 2hgx s LYS 520 N -2.52 4.23 0.41 1.40 -2.85 -1.26 -5.00 119.74 114.15 2hgx s LYS 520 Ca 0.51 2.16 -0.24 0.00 -1.00 0.00 0.00 55.97 57.40 2hgx s LYS 520 Cb -0.14 -3.65 -0.09 0.00 -2.06 0.00 0.00 37.83 31.90 2hgx s LYS 520 CO 0.19 -0.69 1.08 0.15 0.10 0.00 0.00 175.35 176.18 2hgx s LYS 521 N 2.76 4.09 0.17 1.78 1.02 -1.26 -4.99 119.74 123.31 2hgx s LYS 521 Ca 0.70 1.59 -0.15 0.00 0.02 0.00 0.00 55.97 58.13 2hgx s LYS 521 Cb -0.35 -2.53 0.13 0.00 -0.52 0.00 0.00 37.83 34.55 2hgx s LYS 521 CO 0.29 -0.23 1.73 -1.35 -0.92 0.00 0.00 175.35 174.87 2hgx h PRO 522 N 2.44 0.22 0.00 -1.68 0.11 -1.98 -3.49 132.00 127.61 2hgx h PRO 522 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2hgx h PRO 522 Cb 1.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2hgx h PRO 522 CO 0.62 0.15 0.00 0.41 -0.21 0.00 0.00 178.00 178.97 2hgx n GLY 523 N -1.26 -1.94 3.66 -0.55 0.00 -1.26 -4.73 105.19 99.11 2hgx n GLY 523 Ca 0.03 -1.34 -0.46 0.00 0.00 0.00 0.00 46.02 44.26 2hgx n GLY 523 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2hgx n PRO 524 N -0.73 1.94 0.00 1.61 -0.02 -1.26 -2.98 135.00 133.57 2hgx n PRO 524 Ca 0.00 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2hgx n PRO 524 Cb 0.00 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 2hgx n PRO 524 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hgx n GLY 525 N 2.74 2.62 3.73 -1.23 0.00 -1.26 -5.07 105.19 106.71 2hgx n GLY 525 Ca 0.15 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 2hgx n GLY 525 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hgx s GLU 526 N 0.00 4.63 0.19 1.61 2.02 -1.16 -5.01 118.70 120.99 2hgx s GLU 526 Ca 0.00 1.54 -0.32 0.00 0.02 0.00 0.00 54.97 56.22 2hgx s GLU 526 Cb 0.00 -3.36 -0.11 0.00 0.10 0.00 0.00 34.13 30.76 2hgx s GLU 526 CO 0.00 0.11 1.68 -1.25 0.02 0.00 0.00 175.26 175.82 2hgx s PRO 527 N 0.10 4.15 -0.72 0.39 0.04 -1.26 -4.92 135.00 132.78 2hgx s PRO 527 Ca 0.49 2.53 -0.08 0.00 0.04 0.00 0.00 61.00 63.99 2hgx s PRO 527 Cb -0.25 -3.12 0.19 0.00 0.04 0.00 0.00 34.50 31.36 2hgx s PRO 527 CO 0.31 -0.71 0.59 -0.51 0.04 0.00 0.00 177.00 176.72 2hgx s LEU 528 N 1.24 5.91 0.16 -3.56 1.43 -1.26 -5.05 118.68 117.55 2hgx s LEU 528 Ca 0.74 -2.80 -0.31 0.00 -1.03 0.00 0.00 54.13 50.73 2hgx s LEU 528 Cb -0.48 -2.01 -0.08 0.00 0.03 0.00 0.00 46.19 43.65 2hgx s LEU 528 CO 0.32 -0.45 1.36 -0.69 0.23 0.00 0.00 176.35 177.12 2hgx s VAL 529 N 0.00 3.19 -0.04 -1.59 1.01 -1.26 -2.36 120.40 119.35 2hgx s VAL 529 Ca 0.18 0.91 -0.36 0.00 0.00 0.00 0.00 61.98 62.71 2hgx s VAL 529 Cb -0.16 -3.59 -0.15 0.00 0.00 0.00 0.00 36.38 32.49 2hgx s VAL 529 CO -0.06 0.11 1.63 0.33 0.00 0.00 0.00 175.10 177.11 2hgx n PHE 530 N 3.25 2.02 -2.19 5.22 7.35 -1.26 -3.04 117.46 128.81 2hgx n PHE 530 Ca 0.09 0.38 -0.20 0.00 -0.76 0.00 0.00 57.45 56.96 2hgx n PHE 530 Cb 0.42 -2.49 -0.03 0.00 0.35 0.00 0.00 39.48 37.73 2hgx n PHE 530 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2hgx n GLY 531 N 3.62 0.14 0.00 7.13 0.00 -1.26 -4.88 105.19 109.94 2hgx n GLY 531 Ca 0.21 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.26 2hgx n GLY 531 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hgx n LYS 532 N -2.82 1.49 -4.41 1.61 5.02 -1.17 -4.98 118.16 112.90 2hgx n LYS 532 Ca -0.23 -0.04 -0.34 0.00 -2.02 0.00 0.00 58.31 55.69 2hgx n LYS 532 Cb 0.67 -1.04 -0.13 0.00 -0.02 0.00 0.00 35.03 34.51 2hgx n LYS 532 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2hgx s THR 533 N -2.19 3.68 0.15 -0.18 2.01 -1.26 -5.11 115.64 112.75 2hgx s THR 533 Ca -0.01 -0.43 0.10 0.00 0.31 0.00 0.00 61.69 61.66 2hgx s THR 533 Cb 0.04 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 2hgx s THR 533 CO 0.25 0.49 -0.17 -0.36 -0.69 0.00 0.00 174.62 174.13 2hgx s PHE 534 N 0.51 2.50 0.93 4.92 0.40 -1.26 -3.81 117.98 122.18 2hgx s PHE 534 Ca -0.04 -0.28 -0.15 0.00 -0.60 0.00 0.00 56.93 55.86 2hgx s PHE 534 Cb -0.15 -1.28 0.18 0.00 0.51 0.00 0.00 43.02 42.28 2hgx s PHE 534 CO 0.03 0.45 1.29 0.95 0.70 0.00 0.00 175.22 178.64 2hgx s THR 535 N -1.44 2.00 0.32 0.64 -4.23 -0.91 -4.98 115.64 107.05 2hgx s THR 535 Ca 0.21 -0.01 0.09 0.00 -1.18 0.00 0.00 61.69 60.79 2hgx s THR 535 Cb -0.09 -2.99 0.06 0.00 1.34 0.00 0.00 72.50 70.81 2hgx s THR 535 CO 0.11 0.00 1.75 0.44 -0.54 0.00 0.00 174.62 176.39 2hgx h ASP 536 N -1.52 0.17 -2.71 3.99 3.32 -1.95 -3.43 116.42 114.29 2hgx h ASP 536 Ca -0.45 -0.06 -0.52 0.00 0.02 0.00 0.00 57.03 56.02 2hgx h ASP 536 Cb 1.25 -0.05 -0.14 0.00 0.22 0.00 0.00 39.33 40.62 2hgx h ASP 536 CO 0.43 0.54 -0.65 -1.00 -1.72 0.00 0.00 179.24 176.84 2hgx s HIS 537 N -4.20 2.09 0.05 4.55 3.76 -1.26 -0.32 115.29 119.95 2hgx s HIS 537 Ca -0.04 -0.74 -0.06 0.00 -0.15 0.00 0.00 55.06 54.07 2hgx s HIS 537 Cb 0.14 -1.29 -0.01 0.00 1.11 0.00 0.00 32.58 32.53 2hgx s HIS 537 CO 0.75 0.27 0.12 0.00 -0.85 0.00 0.00 174.74 175.03 2hgx s MET 538 N -3.75 0.65 -0.03 1.40 0.23 -0.21 -4.61 119.30 112.97 2hgx s MET 538 Ca 0.32 -0.81 -0.09 0.00 -1.03 0.00 0.00 55.69 54.09 2hgx s MET 538 Cb 0.06 0.26 -0.05 0.00 -1.53 0.00 0.00 34.83 33.57 2hgx s MET 538 CO 0.14 -0.17 0.26 -1.17 -2.03 0.00 0.00 175.02 172.05 2hgx s LEU 539 N -2.31 4.40 -0.07 0.18 2.96 -0.63 -1.46 118.68 121.75 2hgx s LEU 539 Ca -0.02 0.63 -0.03 0.00 -0.22 0.00 0.00 54.13 54.49 2hgx s LEU 539 Cb 0.01 -2.46 0.04 0.00 0.50 0.00 0.00 46.19 44.28 2hgx s LEU 539 CO -0.06 0.32 0.15 -0.04 -1.32 0.00 0.00 176.35 175.40 2hgx s MET 540 N -1.36 0.07 -0.05 1.98 -1.94 0.57 -1.60 119.30 116.98 2hgx s MET 540 Ca 0.23 0.45 0.00 0.00 -1.71 0.00 0.00 55.69 54.66 2hgx s MET 540 Cb -0.14 -0.22 0.02 0.00 2.01 0.00 0.00 34.83 36.51 2hgx s MET 540 CO 0.11 -0.22 -0.03 0.08 -0.01 0.00 0.00 175.02 174.95 2hgx s VAL 541 N 1.63 0.43 0.01 -6.03 1.01 0.41 -0.78 120.40 117.08 2hgx s VAL 541 Ca -0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 2hgx s VAL 541 Cb -0.12 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 2hgx s VAL 541 CO -0.06 0.21 0.12 -1.61 0.00 0.00 0.00 175.10 173.77 2hgx s GLU 542 N 1.14 3.19 -0.02 2.72 2.02 -1.26 -0.71 118.70 125.78 2hgx s GLU 542 Ca -0.08 -0.45 0.05 0.00 0.02 0.00 0.00 54.97 54.51 2hgx s GLU 542 Cb -0.14 -2.94 -0.01 0.00 0.10 0.00 0.00 34.13 31.15 2hgx s GLU 542 CO -0.01 0.65 -0.17 -0.46 0.02 0.00 0.00 175.26 175.28 2hgx s TRP 543 N -1.28 1.58 0.00 1.61 -0.00 -0.40 -0.85 118.94 119.61 2hgx s TRP 543 Ca 0.26 -0.35 0.00 0.00 -0.00 0.00 0.00 56.10 56.01 2hgx s TRP 543 Cb -0.12 -1.03 0.00 0.00 -0.00 0.00 0.00 33.47 32.31 2hgx s TRP 543 CO 0.17 -0.07 0.00 0.27 -0.00 0.00 0.00 176.95 177.32 2hgx n ASN 544 N 2.81 0.00 0.04 5.86 0.23 -0.80 -1.34 115.26 122.06 2hgx n ASN 544 Ca -0.16 -0.08 0.01 0.00 -0.53 0.00 0.00 54.58 53.82 2hgx n ASN 544 Cb 0.54 0.00 0.33 0.00 -2.08 0.00 0.00 39.78 38.57 2hgx n ASN 544 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2hgx h ASP 545 N 0.00 0.41 -0.07 0.53 5.19 -2.00 -2.59 116.42 117.89 2hgx h ASP 545 Ca 0.00 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 2hgx h ASP 545 Cb 0.00 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.40 2hgx h ASP 545 CO 0.00 0.50 0.00 0.29 -3.12 0.00 0.00 179.24 176.91 2hgx n LYS 546 N -4.29 1.35 0.00 3.56 5.02 -1.26 -5.03 118.16 117.51 2hgx n LYS 546 Ca 0.01 -0.52 0.00 0.00 -2.02 0.00 0.00 58.31 55.78 2hgx n LYS 546 Cb 0.24 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 2hgx n LYS 546 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hgx n GLY 547 N 0.97 -1.51 3.77 0.72 0.00 -0.98 -4.99 105.19 103.16 2hgx n GLY 547 Ca 0.16 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.74 2hgx n GLY 547 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2hgx s TRP 548 N 0.00 3.78 0.48 1.61 0.52 -1.26 -1.90 118.94 122.16 2hgx s TRP 548 Ca 0.00 1.82 -0.03 0.00 0.02 0.00 0.00 56.10 57.91 2hgx s TRP 548 Cb 0.00 -3.00 0.10 0.00 -1.15 0.00 0.00 33.47 29.42 2hgx s TRP 548 CO 0.00 0.17 0.66 0.41 0.02 0.00 0.00 176.95 178.21 2hgx n GLY 549 N 1.00 -0.02 3.74 0.98 0.00 -0.03 -4.85 105.19 106.02 2hgx n GLY 549 Ca 0.00 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 2hgx n GLY 549 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hgx s GLN 550 N -4.24 4.72 0.38 1.61 -0.21 -1.26 -4.74 119.66 115.92 2hgx s GLN 550 Ca 0.41 1.57 -0.26 0.00 0.02 0.00 0.00 55.36 57.10 2hgx s GLN 550 Cb -0.02 -3.30 -0.09 0.00 1.00 0.00 0.00 33.01 30.61 2hgx s GLN 550 CO 0.28 0.28 1.19 -1.25 -2.12 0.00 0.00 175.29 173.67 2hgx s PRO 551 N -0.66 4.12 -0.03 2.91 0.04 -1.26 -4.71 135.00 135.41 2hgx s PRO 551 Ca 0.45 1.91 0.03 0.00 0.04 0.00 0.00 61.00 63.43 2hgx s PRO 551 Cb -0.27 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.51 2hgx s PRO 551 CO 0.33 -0.28 -0.12 1.03 0.04 0.00 0.00 177.00 178.00 2hgx s ARG 552 N -2.17 1.22 -0.34 4.56 0.52 0.04 -1.54 118.95 121.24 2hgx s ARG 552 Ca 0.55 -0.40 -0.11 0.00 -0.52 0.00 0.00 55.73 55.25 2hgx s ARG 552 Cb -0.32 -1.11 0.00 0.00 0.52 0.00 0.00 34.95 34.04 2hgx s ARG 552 CO 0.41 0.16 0.19 0.42 0.02 0.00 0.00 175.30 176.49 2hgx s ILE 553 N 0.14 4.72 0.26 1.52 1.01 0.11 -0.31 121.20 128.65 2hgx s ILE 553 Ca -0.03 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.16 2hgx s ILE 553 Cb -0.09 -3.48 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 2hgx s ILE 553 CO 0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 174.94 174.84 2hgx s GLN 554 N 1.62 1.47 0.72 2.79 -2.07 -0.54 -0.67 119.66 122.98 2hgx s GLN 554 Ca 0.04 -1.73 -0.16 0.00 -1.82 0.00 0.00 55.36 51.70 2hgx s GLN 554 Cb -0.18 -1.05 0.03 0.00 -1.09 0.00 0.00 33.01 30.73 2hgx s GLN 554 CO 0.07 0.04 1.25 -2.14 -1.32 0.00 0.00 175.29 173.19 2hgx s PRO 555 N -3.74 2.13 -0.00 9.60 0.02 -1.23 -1.04 135.00 140.73 2hgx s PRO 555 Ca 0.28 1.90 -0.30 0.00 0.02 0.00 0.00 61.00 62.90 2hgx s PRO 555 Cb 0.03 -1.81 -0.08 0.00 0.02 0.00 0.00 34.50 32.66 2hgx s PRO 555 CO 0.10 -1.88 1.89 0.12 -0.33 0.00 0.00 177.00 176.90 2hgx s PHE 556 N -1.77 1.47 0.22 6.54 5.36 0.56 -4.55 117.98 125.81 2hgx s PHE 556 Ca 0.78 -0.24 -0.13 0.00 -0.96 0.00 0.00 56.93 56.39 2hgx s PHE 556 Cb -0.33 -4.14 -0.00 0.00 -0.34 0.00 0.00 43.02 38.21 2hgx s PHE 556 CO 0.45 -5.03 0.45 1.14 -1.46 0.00 0.00 175.22 170.76 2hgx s GLN 557 N 4.43 1.45 0.62 10.12 -2.07 -1.26 -5.00 119.66 127.95 2hgx s GLN 557 Ca 0.85 -1.19 -0.15 0.00 -1.82 0.00 0.00 55.36 53.05 2hgx s GLN 557 Cb -0.39 0.46 -0.02 0.00 -1.09 0.00 0.00 33.01 31.96 2hgx s GLN 557 CO 0.38 -0.59 1.07 -0.80 -1.32 0.00 0.00 175.29 174.03 2hgx s ASN 558 N -2.99 5.55 0.13 12.60 0.01 -1.26 -5.04 114.94 123.94 2hgx s ASN 558 Ca 0.20 1.84 -0.14 0.00 -0.71 0.00 0.00 52.86 54.05 2hgx s ASN 558 Cb 0.00 -2.53 -0.07 0.00 0.41 0.00 0.00 41.25 39.06 2hgx s ASN 558 CO 0.06 -1.33 0.52 -0.76 -1.51 0.00 0.00 177.10 174.08 2hgx s LEU 559 N -4.74 4.34 -0.36 0.60 1.43 -1.26 -5.06 118.68 113.64 2hgx s LEU 559 Ca 0.64 1.03 -0.06 0.00 -1.03 0.00 0.00 54.13 54.71 2hgx s LEU 559 Cb -0.17 -3.21 0.06 0.00 0.03 0.00 0.00 46.19 42.90 2hgx s LEU 559 CO 0.40 0.12 0.14 -0.89 0.23 0.00 0.00 176.35 176.35 2hgx s THR 560 N -1.45 3.72 0.01 5.49 2.01 -1.26 -5.09 115.64 119.08 2hgx s THR 560 Ca 0.37 -1.34 0.08 0.00 0.31 0.00 0.00 61.69 61.11 2hgx s THR 560 Cb -0.15 -3.20 -0.02 0.00 0.01 0.00 0.00 72.50 69.14 2hgx s THR 560 CO 0.19 -0.31 -0.25 -0.76 -0.69 0.00 0.00 174.62 172.80 2hgx s LEU 561 N 1.36 2.10 0.34 4.42 1.43 -1.26 -5.12 118.68 121.95 2hgx s LEU 561 Ca 0.00 -0.50 -0.28 0.00 -1.03 0.00 0.00 54.13 52.32 2hgx s LEU 561 Cb -0.21 -1.25 -0.10 0.00 0.03 0.00 0.00 46.19 44.66 2hgx s LEU 561 CO 0.01 0.28 1.28 -2.28 0.23 0.00 0.00 176.35 175.87 2hgx s HIS 562 N -0.68 3.06 0.62 0.29 5.65 -1.26 -4.90 115.29 118.07 2hgx s HIS 562 Ca 0.10 1.44 0.31 0.00 0.25 0.00 0.00 55.06 57.16 2hgx s HIS 562 Cb -0.10 -3.64 1.70 0.00 -1.18 0.00 0.00 32.58 29.37 2hgx s HIS 562 CO 0.00 -1.77 2.03 -1.35 -0.65 0.00 0.00 174.74 173.01 2hgx h PRO 563 N 3.28 0.00 -0.66 2.88 0.11 -1.99 -1.38 132.00 134.25 2hgx h PRO 563 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2hgx h PRO 563 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2hgx h PRO 563 CO 0.65 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.44 2hgx n ALA 564 N -2.16 2.61 -1.68 -0.75 0.00 -1.26 -4.95 120.51 112.31 2hgx n ALA 564 Ca 0.01 -1.24 -0.48 0.00 0.00 0.00 0.00 53.44 51.73 2hgx n ALA 564 Cb 0.38 -0.97 -0.05 0.00 0.00 0.00 0.00 19.45 18.81 2hgx n ALA 564 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2hgx n SER 565 N 1.30 3.29 0.12 0.00 2.88 -0.52 -3.27 113.62 117.41 2hgx n SER 565 Ca 0.22 1.00 0.07 0.00 -1.33 0.00 0.00 58.87 58.84 2hgx n SER 565 Cb 0.64 -1.37 0.38 0.00 -0.75 0.00 0.00 64.21 63.11 2hgx n SER 565 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2hgx n SER 566 N 5.78 0.36 0.16 -3.46 3.41 -0.92 -1.32 113.62 117.63 2hgx n SER 566 Ca 0.21 0.63 0.02 0.00 -0.26 0.00 0.00 58.87 59.48 2hgx n SER 566 Cb 0.28 -0.66 0.25 0.00 -0.26 0.00 0.00 64.21 63.83 2hgx n SER 566 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2hgx h SER 567 N 0.00 0.00 0.22 4.04 4.64 -1.72 -1.80 113.55 118.93 2hgx h SER 567 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hgx h SER 567 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2hgx h SER 567 CO 0.00 0.50 -1.67 0.18 -0.87 0.00 0.00 176.83 174.97 2hgx n LEU 568 N -3.72 0.28 -0.11 5.97 4.77 -0.43 -3.84 117.00 119.92 2hgx n LEU 568 Ca -0.01 0.03 -0.20 0.00 -0.03 0.00 0.00 56.01 55.80 2hgx n LEU 568 Cb 0.56 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 2hgx n LEU 568 CO 0.40 -0.02 -1.25 1.41 -1.33 0.00 0.00 177.39 176.60 2hgx n HIS 569 N -2.26 0.00 -1.00 -1.77 8.25 -1.18 -4.74 115.22 112.51 2hgx n HIS 569 Ca -0.02 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.53 2hgx n HIS 569 Cb 0.54 -0.83 0.20 0.00 1.12 0.00 0.00 29.99 31.01 2hgx n HIS 569 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2hgx n TYR 570 N -3.58 0.46 -4.03 4.41 4.01 -0.69 -5.01 117.16 112.73 2hgx n TYR 570 Ca -0.42 -0.93 -0.31 0.00 -0.16 0.00 0.00 57.90 56.08 2hgx n TYR 570 Cb 0.87 -0.23 -0.00 0.00 -0.31 0.00 0.00 39.34 39.67 2hgx n TYR 570 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2hgx n SER 571 N -0.95 -3.14 -4.54 7.72 2.88 -1.17 -4.86 113.62 109.57 2hgx n SER 571 Ca 0.18 -0.92 -0.43 0.00 -1.33 0.00 0.00 58.87 56.37 2hgx n SER 571 Cb 0.75 -3.30 0.00 0.00 -0.75 0.00 0.00 64.21 60.92 2hgx n SER 571 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2hgx n LEU 572 N -4.49 5.04 -3.69 2.46 4.77 -1.18 -4.74 117.00 115.17 2hgx n LEU 572 Ca -0.03 -4.11 -0.14 0.00 -0.03 0.00 0.00 56.01 51.70 2hgx n LEU 572 Cb 0.55 -1.71 -0.09 0.00 -2.33 0.00 0.00 43.42 39.85 2hgx n LEU 572 CO 0.79 0.35 0.18 0.00 -1.33 0.00 0.00 177.39 177.38 2hgx s GLN 573 N 3.32 0.66 0.13 3.23 -2.07 -1.26 -0.38 119.66 123.29 2hgx s GLN 573 Ca 0.50 0.44 -0.09 0.00 -1.82 0.00 0.00 55.36 54.39 2hgx s GLN 573 Cb 0.02 0.31 -0.01 0.00 -1.09 0.00 0.00 33.01 32.25 2hgx s GLN 573 CO 0.05 -0.13 0.24 -0.48 -1.32 0.00 0.00 175.29 173.65 2hgx s LEU 574 N -0.28 1.19 0.22 2.60 0.05 -0.79 -2.73 118.68 118.95 2hgx s LEU 574 Ca -0.04 -0.78 -0.12 0.00 0.05 0.00 0.00 54.13 53.24 2hgx s LEU 574 Cb -0.03 1.10 -0.00 0.00 -2.05 0.00 0.00 46.19 45.20 2hgx s LEU 574 CO 0.03 -0.81 0.42 0.72 -0.55 0.00 0.00 176.35 176.15 2hgx s PHE 575 N -3.92 0.36 0.24 3.48 -0.71 -0.93 -2.14 117.98 114.36 2hgx s PHE 575 Ca 0.12 -0.71 0.02 0.00 -1.04 0.00 0.00 56.93 55.32 2hgx s PHE 575 Cb 0.04 0.11 -0.05 0.00 -1.21 0.00 0.00 43.02 41.91 2hgx s PHE 575 CO -0.05 -0.90 0.05 -1.21 -1.34 0.00 0.00 175.22 171.77 2hgx s GLU 576 N -4.00 1.37 -0.22 1.99 0.41 -0.32 -4.76 118.70 113.17 2hgx s GLU 576 Ca 0.21 -1.72 -0.07 0.00 -0.41 0.00 0.00 54.97 52.98 2hgx s GLU 576 Cb 0.01 -0.44 0.10 0.00 -1.78 0.00 0.00 34.13 32.02 2hgx s GLU 576 CO 0.06 -0.20 0.45 0.20 -0.49 0.00 0.00 175.26 175.28 2hgx s GLY 577 N -3.31 -0.42 0.12 -1.39 0.00 -1.26 -3.72 107.32 97.33 2hgx s GLY 577 Ca 0.33 1.58 -0.09 0.00 0.00 0.00 0.00 44.72 46.53 2hgx s GLY 577 CO 0.11 2.53 0.24 -3.16 0.00 0.00 0.00 173.10 172.82 2hgx s MET 578 N 2.65 0.96 0.06 2.90 0.23 -1.01 -4.92 119.30 120.17 2hgx s MET 578 Ca -0.01 -1.00 0.09 0.00 -1.03 0.00 0.00 55.69 53.73 2hgx s MET 578 Cb -0.12 0.36 -0.03 0.00 -1.53 0.00 0.00 34.83 33.51 2hgx s MET 578 CO -0.14 -0.33 -0.23 0.15 -2.03 0.00 0.00 175.02 172.44 2hgx s LYS 579 N -3.89 1.85 -0.10 3.16 1.02 -1.26 -0.17 119.74 120.35 2hgx s LYS 579 Ca 0.09 -1.10 0.00 0.00 0.02 0.00 0.00 55.97 54.98 2hgx s LYS 579 Cb 0.04 -2.06 -0.02 0.00 -0.52 0.00 0.00 37.83 35.27 2hgx s LYS 579 CO -0.08 0.51 -0.09 0.00 -0.92 0.00 0.00 175.35 174.77 2hgx s ALA 580 N -0.91 2.82 0.00 5.17 0.00 -0.27 -2.40 121.76 126.18 2hgx s ALA 580 Ca 0.13 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.29 2hgx s ALA 580 Cb -0.10 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 2hgx s ALA 580 CO 0.04 0.40 -0.26 -0.06 0.00 0.00 0.00 175.76 175.88 2hgx s PHE 581 N -0.20 2.33 -0.23 0.00 0.40 0.42 -1.31 117.98 119.38 2hgx s PHE 581 Ca 0.02 -0.43 -0.06 0.00 -0.60 0.00 0.00 56.93 55.85 2hgx s PHE 581 Cb -0.13 -1.46 -0.02 0.00 0.51 0.00 0.00 43.02 41.91 2hgx s PHE 581 CO 0.03 0.02 0.04 0.21 0.70 0.00 0.00 175.22 176.21 2hgx s LYS 582 N -0.82 3.62 0.89 0.44 2.20 -1.26 -0.85 119.74 123.96 2hgx s LYS 582 Ca 0.11 -0.50 -0.13 0.00 -0.36 0.00 0.00 55.97 55.08 2hgx s LYS 582 Cb -0.10 -3.23 0.13 0.00 -1.51 0.00 0.00 37.83 33.13 2hgx s LYS 582 CO 0.00 -0.14 1.18 0.20 -0.36 0.00 0.00 175.35 176.23 2hgx s GLY 583 N 1.44 1.61 0.59 5.54 0.00 -0.27 -4.69 107.32 111.53 2hgx s GLY 583 Ca 0.05 -0.69 0.29 0.00 0.00 0.00 0.00 44.72 44.37 2hgx s GLY 583 CO 0.02 -0.11 2.22 0.50 0.00 0.00 0.00 173.10 175.73 2hgx h LYS 584 N -1.41 0.00 -0.60 2.90 6.56 -1.89 -1.85 116.57 120.29 2hgx h LYS 584 Ca -0.48 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 2hgx h LYS 584 Cb 1.32 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.98 2hgx h LYS 584 CO 0.59 0.00 0.00 -0.40 -2.06 0.00 0.00 179.45 177.58 2hgx n ASP 585 N -3.88 3.31 0.00 0.86 5.75 -1.26 -4.92 116.55 116.41 2hgx n ASP 585 Ca -0.02 -2.28 0.00 0.00 -0.01 0.00 0.00 54.79 52.48 2hgx n ASP 585 Cb 0.13 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 2hgx n ASP 585 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2hgx n GLN 586 N 0.71 -0.35 -2.59 0.11 1.13 -0.69 -5.03 117.38 110.67 2hgx n GLN 586 Ca 0.17 0.09 -0.42 0.00 -1.94 0.00 0.00 57.00 54.90 2hgx n GLN 586 Cb 0.62 -3.34 -0.03 0.00 0.11 0.00 0.00 30.24 27.61 2hgx n GLN 586 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2hgx s GLN 587 N -0.40 4.46 -0.15 -1.09 2.00 -1.26 -4.78 119.66 118.44 2hgx s GLN 587 Ca 0.00 1.54 -0.08 0.00 -2.00 0.00 0.00 55.36 54.82 2hgx s GLN 587 Cb 0.00 -3.48 -0.04 0.00 0.80 0.00 0.00 33.01 30.29 2hgx s GLN 587 CO 0.00 -0.24 0.12 0.08 -0.50 0.00 0.00 175.29 174.75 2hgx s VAL 588 N 1.53 5.37 -0.00 1.34 1.01 -1.26 -1.12 120.40 127.26 2hgx s VAL 588 Ca 0.53 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.68 2hgx s VAL 588 Cb -0.23 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 32.78 2hgx s VAL 588 CO 0.24 0.55 0.01 -0.13 0.00 0.00 0.00 175.10 175.77 2hgx s ARG 589 N -0.46 0.01 0.01 2.72 0.52 -0.03 -1.01 118.95 120.72 2hgx s ARG 589 Ca 0.12 0.04 -0.15 0.00 -0.52 0.00 0.00 55.73 55.22 2hgx s ARG 589 Cb -0.12 -0.07 -0.06 0.00 0.52 0.00 0.00 34.95 35.22 2hgx s ARG 589 CO 0.02 -0.04 0.42 -0.51 0.02 0.00 0.00 175.30 175.21 2hgx s LEU 590 N 0.25 4.47 -0.34 2.53 1.43 0.65 -0.43 118.68 127.23 2hgx s LEU 590 Ca -0.02 0.98 -0.22 0.00 -1.03 0.00 0.00 54.13 53.84 2hgx s LEU 590 Cb -0.03 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.55 2hgx s LEU 590 CO -0.01 0.31 0.70 0.12 0.23 0.00 0.00 176.35 177.70 2hgx s PHE 591 N -1.11 3.16 -1.07 0.29 5.36 -1.01 -1.02 117.98 122.59 2hgx s PHE 591 Ca 0.25 0.51 -0.04 0.00 -0.96 0.00 0.00 56.93 56.69 2hgx s PHE 591 Cb -0.17 -3.19 0.01 0.00 -0.34 0.00 0.00 43.02 39.33 2hgx s PHE 591 CO 0.14 -0.62 0.08 0.54 -1.46 0.00 0.00 175.22 173.90 2hgx n ARG 592 N 6.14 -0.87 0.31 10.12 1.74 -0.14 -4.77 116.66 129.19 2hgx n ARG 592 Ca 0.01 0.04 0.19 0.00 -0.77 0.00 0.00 57.85 57.31 2hgx n ARG 592 Cb 0.48 -2.39 1.02 0.00 -1.02 0.00 0.00 32.46 30.56 2hgx n ARG 592 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2hgx h PRO 593 N -1.01 0.00 -0.41 5.56 0.13 -1.81 -2.35 132.00 132.10 2hgx h PRO 593 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2hgx h PRO 593 Cb 1.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 2hgx h PRO 593 CO 0.49 0.02 0.18 -1.49 -0.23 0.00 0.00 178.00 176.97 2hgx h TRP 594 N 0.00 0.57 -0.08 1.56 6.55 -1.95 -1.26 115.95 121.34 2hgx h TRP 594 Ca -0.00 -0.01 -0.14 0.00 0.95 0.00 0.00 58.89 59.68 2hgx h TRP 594 Cb 0.11 -0.18 -0.01 0.00 -0.86 0.00 0.00 29.16 28.22 2hgx h TRP 594 CO 0.00 0.43 -0.58 -0.07 -1.05 0.00 0.00 178.44 177.17 2hgx h LEU 595 N 0.58 0.28 -0.50 -4.49 3.38 -1.80 -0.90 115.31 111.86 2hgx h LEU 595 Ca 0.15 -0.16 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 2hgx h LEU 595 Cb 0.09 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2hgx h LEU 595 CO -0.02 0.80 -0.67 0.78 0.09 0.00 0.00 178.44 179.42 2hgx h ASN 596 N 0.19 0.40 -0.21 -0.43 2.35 -1.46 -1.50 115.58 114.91 2hgx h ASN 596 Ca -0.00 -0.25 -0.14 0.00 -0.55 0.00 0.00 56.30 55.36 2hgx h ASN 596 Cb 1.08 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 2hgx h ASN 596 CO 0.09 0.96 -0.38 0.24 -1.65 0.00 0.00 177.43 176.69 2hgx h MET 597 N 0.24 0.74 -0.21 0.81 2.86 -1.04 -0.23 114.93 118.10 2hgx h MET 597 Ca -0.02 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 57.23 2hgx h MET 597 Cb 1.22 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 2hgx h MET 597 CO 0.11 1.00 0.07 -0.44 1.06 0.00 0.00 176.91 178.71 2hgx h ASP 598 N 0.61 0.31 -0.50 1.22 3.32 -1.03 -2.44 116.42 117.91 2hgx h ASP 598 Ca 0.05 -0.19 -0.09 0.00 0.02 0.00 0.00 57.03 56.82 2hgx h ASP 598 Cb 0.92 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 2hgx h ASP 598 CO 0.08 0.42 -0.01 -0.09 -1.72 0.00 0.00 179.24 177.93 2hgx h ARG 599 N 0.18 0.94 -0.74 3.56 2.43 -1.13 -2.63 114.38 116.99 2hgx h ARG 599 Ca 0.07 -0.28 -0.04 0.00 -0.81 0.00 0.00 59.98 58.92 2hgx h ARG 599 Cb 0.22 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 2hgx h ARG 599 CO -0.00 0.93 0.31 1.98 -1.51 0.00 0.00 179.97 181.67 2hgx h MET 600 N 0.86 1.08 -0.42 0.20 4.05 -0.92 -1.57 114.93 118.21 2hgx h MET 600 Ca 0.16 -0.18 -0.15 0.00 -0.28 0.00 0.00 59.70 59.25 2hgx h MET 600 Cb 0.52 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 2hgx h MET 600 CO 0.03 0.87 -0.31 1.25 0.23 0.00 0.00 176.91 178.97 2hgx h LEU 601 N 1.06 0.97 -0.92 3.39 5.85 -1.23 -1.17 115.31 123.26 2hgx h LEU 601 Ca 0.25 -0.41 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 2hgx h LEU 601 Cb 0.18 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2hgx h LEU 601 CO -0.02 1.20 0.09 0.03 -0.34 0.00 0.00 178.44 179.39 2hgx h ARG 602 N 0.78 0.88 -0.55 1.25 3.08 -1.17 -1.44 114.38 117.20 2hgx h ARG 602 Ca 0.08 -0.21 -0.09 0.00 0.07 0.00 0.00 59.98 59.83 2hgx h ARG 602 Cb 0.89 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 2hgx h ARG 602 CO 0.08 0.82 -0.01 0.77 -1.07 0.00 0.00 179.97 180.56 2hgx h SER 603 N 0.84 0.97 -0.75 7.04 0.02 -1.13 -2.35 113.55 118.19 2hgx h SER 603 Ca 0.17 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 2hgx h SER 603 Cb 0.37 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 2hgx h SER 603 CO 0.01 1.05 0.41 0.00 -1.14 0.00 0.00 176.83 177.16 2hgx h ALA 604 N 0.96 0.96 -0.25 3.77 0.00 -0.66 -2.73 119.26 121.30 2hgx h ALA 604 Ca 0.16 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2hgx h ALA 604 Cb 0.56 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2hgx h ALA 604 CO 0.03 0.47 -0.30 0.52 0.00 0.00 0.00 179.25 179.97 2hgx h MET 605 N 1.03 0.52 0.00 0.00 2.07 -1.13 0.15 114.93 117.56 2hgx h MET 605 Ca 0.26 -0.22 -0.08 0.00 -2.07 0.00 0.00 59.70 57.59 2hgx h MET 605 Cb 0.03 -0.02 -0.01 0.00 -1.87 0.00 0.00 31.60 29.73 2hgx h MET 605 CO -0.04 0.77 -0.39 -0.09 1.07 0.00 0.00 176.91 178.22 2hgx h ARG 606 N 0.45 0.00 -0.62 1.72 9.65 -1.14 -2.84 114.38 121.60 2hgx h ARG 606 Ca 0.06 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 2hgx h ARG 606 Cb 0.75 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.33 2hgx h ARG 606 CO 0.06 0.39 0.00 1.28 2.80 0.00 0.00 179.97 184.50 2hgx n LEU 607 N -3.95 3.96 -3.26 3.80 4.77 -1.06 -4.96 117.00 116.29 2hgx n LEU 607 Ca -0.02 -2.15 -0.24 0.00 -0.03 0.00 0.00 56.01 53.58 2hgx n LEU 607 Cb 0.44 -0.46 0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2hgx n LEU 607 CO 0.38 0.89 0.02 0.00 -1.33 0.00 0.00 177.39 177.35 2hgx s LEU 609 N -6.76 4.08 0.43 0.00 1.43 -0.00 -4.37 118.68 113.49 2hgx s LEU 609 Ca 0.40 0.52 -0.26 0.00 -1.03 0.00 0.00 54.13 53.76 2hgx s LEU 609 Cb -0.19 -3.35 -0.09 0.00 0.03 0.00 0.00 46.19 42.59 2hgx s LEU 609 CO 0.49 -0.21 1.44 -2.16 0.23 0.00 0.00 176.35 176.14 2hgx s PRO 610 N -3.85 3.79 0.52 1.29 0.04 -1.26 -4.45 135.00 131.08 2hgx s PRO 610 Ca 0.41 2.45 -0.17 0.00 0.04 0.00 0.00 61.00 63.73 2hgx s PRO 610 Cb -0.10 -2.73 -0.08 0.00 0.04 0.00 0.00 34.50 31.63 2hgx s PRO 610 CO 0.33 -0.75 0.99 -1.54 0.04 0.00 0.00 177.00 176.07 2hgx s SER 611 N -0.43 6.54 0.15 6.66 1.04 -1.26 -4.93 113.70 121.48 2hgx s SER 611 Ca 0.59 1.60 -0.06 0.00 0.48 0.00 0.00 55.95 58.56 2hgx s SER 611 Cb -0.44 -2.51 -0.02 0.00 0.10 0.00 0.00 66.02 63.15 2hgx s SER 611 CO 0.58 -0.64 0.20 0.72 0.98 0.00 0.00 173.24 175.08 2hgx s PHE 612 N -2.60 0.57 -0.19 5.02 -0.12 -1.26 -4.82 117.98 114.59 2hgx s PHE 612 Ca 0.59 -0.94 -0.23 0.00 -0.05 0.00 0.00 56.93 56.31 2hgx s PHE 612 Cb -0.11 -0.21 -0.02 0.00 -0.63 0.00 0.00 43.02 42.05 2hgx s PHE 612 CO 0.31 -0.65 0.73 0.34 -0.05 0.00 0.00 175.22 175.90 2hgx s ASP 613 N -3.00 6.82 0.26 1.98 -1.08 -1.26 -4.96 116.67 115.43 2hgx s ASP 613 Ca 0.20 1.00 -0.04 0.00 -0.52 0.00 0.00 52.55 53.20 2hgx s ASP 613 Cb 0.05 -2.40 0.36 0.00 -1.46 0.00 0.00 42.92 39.47 2hgx s ASP 613 CO 0.01 -0.34 1.91 0.11 0.52 0.00 0.00 175.17 177.38 2hgx h LYS 614 N 7.42 1.20 0.00 4.34 1.57 -1.99 -2.23 116.57 126.89 2hgx h LYS 614 Ca -0.30 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.32 2hgx h LYS 614 Cb 1.14 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 2hgx h LYS 614 CO 0.81 0.80 -0.42 -0.07 -0.57 0.00 0.00 179.45 180.00 2hgx h LEU 615 N 1.24 0.00 -0.05 2.94 3.38 -1.98 -1.65 115.31 119.18 2hgx h LEU 615 Ca 0.40 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.11 2hgx h LEU 615 Cb 0.02 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.79 2hgx h LEU 615 CO -0.13 0.42 -1.02 -0.33 0.09 0.00 0.00 178.44 177.47 2hgx h GLU 616 N 0.00 0.60 -0.41 1.13 4.39 -1.83 -2.10 114.58 116.37 2hgx h GLU 616 Ca -0.00 -0.66 -0.09 0.00 0.34 0.00 0.00 59.36 58.94 2hgx h GLU 616 Cb 1.10 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.93 2hgx h GLU 616 CO 0.05 1.26 -0.11 1.25 -1.16 0.00 0.00 179.01 180.30 2hgx h LEU 617 N 0.34 0.80 -0.93 1.33 5.85 -1.35 -1.90 115.31 119.46 2hgx h LEU 617 Ca -0.12 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.26 2hgx h LEU 617 Cb 1.67 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.43 2hgx h LEU 617 CO 0.19 0.99 0.61 0.25 -0.34 0.00 0.00 178.44 180.14 2hgx h LEU 618 N 0.61 1.04 -0.86 2.25 5.85 -1.29 -0.32 115.31 122.59 2hgx h LEU 618 Ca 0.10 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 2hgx h LEU 618 Cb 0.64 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2hgx h LEU 618 CO 0.04 0.74 -0.40 -0.08 -0.34 0.00 0.00 178.44 178.40 2hgx h GLU 619 N 1.22 0.35 -0.29 1.25 4.57 -1.23 -0.20 114.58 120.25 2hgx h GLU 619 Ca 0.35 -0.17 -0.11 0.00 -1.18 0.00 0.00 59.36 58.25 2hgx h GLU 619 Cb -0.08 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 2hgx h GLU 619 CO -0.09 0.70 -0.29 0.00 -1.18 0.00 0.00 179.01 178.15 2hgx h ILE 621 N 0.52 1.30 -0.83 0.00 2.04 -0.77 -2.26 117.51 117.51 2hgx h ILE 621 Ca 0.07 -1.89 -0.03 0.00 1.00 0.00 0.00 64.86 64.00 2hgx h ILE 621 Cb 0.76 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.66 2hgx h ILE 621 CO 0.06 0.60 0.40 -0.09 0.00 0.00 0.00 178.15 179.12 2hgx h ARG 622 N 0.51 1.20 -0.23 2.37 2.43 -0.76 -1.14 114.38 118.76 2hgx h ARG 622 Ca -0.02 -0.18 -0.11 0.00 -0.81 0.00 0.00 59.98 58.87 2hgx h ARG 622 Cb 1.25 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 2hgx h ARG 622 CO 0.13 0.92 -0.32 0.00 -1.51 0.00 0.00 179.97 179.19 2hgx h ARG 623 N 1.18 0.48 -0.22 0.20 2.47 -1.22 -0.97 114.38 116.30 2hgx h ARG 623 Ca 0.29 -0.21 -0.05 0.00 -1.26 0.00 0.00 59.98 58.75 2hgx h ARG 623 Cb 0.12 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 2hgx h ARG 623 CO -0.04 0.74 -0.06 1.25 0.56 0.00 0.00 179.97 182.43 2hgx h LEU 624 N 0.41 0.43 -1.04 3.04 5.85 -0.88 -2.08 115.31 121.05 2hgx h LEU 624 Ca 0.05 -0.37 -0.08 0.00 0.84 0.00 0.00 57.88 58.32 2hgx h LEU 624 Cb 0.76 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2hgx h LEU 624 CO 0.06 0.70 -0.22 0.40 -0.34 0.00 0.00 178.44 179.04 2hgx h ILE 625 N 0.16 1.25 -0.71 4.05 2.04 -1.11 -2.35 117.51 120.83 2hgx h ILE 625 Ca 0.06 -1.17 -0.05 0.00 1.00 0.00 0.00 64.86 64.70 2hgx h ILE 625 Cb 0.51 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.88 2hgx h ILE 625 CO 0.02 0.37 0.25 -0.08 0.00 0.00 0.00 178.15 178.72 2hgx h GLU 626 N 0.38 1.08 -0.57 2.37 4.81 -0.98 0.24 114.58 121.92 2hgx h GLU 626 Ca 0.06 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 58.99 2hgx h GLU 626 Cb 0.60 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 2hgx h GLU 626 CO 0.04 0.91 0.02 0.28 -0.73 0.00 0.00 179.01 179.53 2hgx h VAL 627 N 1.03 1.26 -0.79 0.32 2.07 -1.14 -3.02 116.25 115.99 2hgx h VAL 627 Ca 0.23 -1.10 -0.38 0.00 0.82 0.00 0.00 66.70 66.26 2hgx h VAL 627 Cb 0.26 0.85 -0.23 0.00 -1.52 0.00 0.00 31.29 30.65 2hgx h VAL 627 CO -0.01 0.40 0.41 0.47 0.02 0.00 0.00 177.57 178.85 2hgx n ASP 628 N -4.25 3.57 -0.06 0.57 10.43 -0.91 -4.72 116.55 121.18 2hgx n ASP 628 Ca 0.02 -3.59 0.09 0.00 2.57 0.00 0.00 54.79 53.88 2hgx n ASP 628 Cb 0.33 -0.77 0.47 0.00 1.84 0.00 0.00 41.12 42.99 2hgx n ASP 628 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 2hgx h LYS 629 N 1.23 0.46 0.00 -1.24 1.79 -0.38 -1.59 116.57 116.83 2hgx h LYS 629 Ca 0.47 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.92 2hgx h LYS 629 Cb 2.47 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 33.02 2hgx h LYS 629 CO 0.86 0.30 0.00 -0.44 -1.08 0.00 0.00 179.45 179.09 2hgx h ASP 630 N 0.47 0.00 1.85 0.86 3.32 -1.86 -2.43 116.42 118.63 2hgx h ASP 630 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2hgx h ASP 630 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2hgx h ASP 630 CO -0.07 0.00 -0.09 -0.50 -1.72 0.00 0.00 179.24 176.87 2hgx h TRP 631 N 0.00 0.00 -2.99 4.55 4.06 -1.67 -3.44 115.95 116.46 2hgx h TRP 631 Ca 0.00 0.00 -0.57 0.00 2.06 0.00 0.00 58.89 60.38 2hgx h TRP 631 Cb 0.33 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.45 2hgx h TRP 631 CO 0.00 0.00 1.01 0.08 -3.56 0.00 0.00 178.44 175.97 2hgx s VAL 632 N -3.21 4.03 0.64 1.49 1.01 -0.92 -4.70 120.40 118.74 2hgx s VAL 632 Ca 0.07 1.17 -0.14 0.00 0.00 0.00 0.00 61.98 63.08 2hgx s VAL 632 Cb 0.06 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 2hgx s VAL 632 CO 0.67 -0.36 1.08 -2.16 0.00 0.00 0.00 175.10 174.33 2hgx s PRO 633 N 4.20 3.01 0.00 2.72 0.04 -1.26 -4.91 135.00 138.79 2hgx s PRO 633 Ca 0.61 1.23 0.04 0.00 0.04 0.00 0.00 61.00 62.92 2hgx s PRO 633 Cb -0.20 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.39 2hgx s PRO 633 CO 0.24 -1.06 0.69 -0.40 0.04 0.00 0.00 177.00 176.50 2hgx n ASP 634 N -2.42 1.47 -4.77 6.66 5.68 -1.26 -4.24 116.55 117.67 2hgx n ASP 634 Ca 0.09 -1.27 -0.33 0.00 -0.50 0.00 0.00 54.79 52.79 2hgx n ASP 634 Cb 0.53 -0.01 0.06 0.00 -1.14 0.00 0.00 41.12 40.56 2hgx n ASP 634 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2hgx s ALA 635 N -0.43 2.40 -0.07 2.12 0.00 -1.26 -4.86 121.76 119.66 2hgx s ALA 635 Ca 0.06 0.49 -0.37 0.00 0.00 0.00 0.00 51.96 52.14 2hgx s ALA 635 Cb 0.04 -3.31 -0.14 0.00 0.00 0.00 0.00 23.12 19.70 2hgx s ALA 635 CO 0.06 -1.43 1.67 0.00 0.00 0.00 0.00 175.76 176.06 2hgx n ALA 636 N -2.71 0.21 -0.42 0.00 0.00 -1.26 -1.70 120.51 114.64 2hgx n ALA 636 Ca 0.10 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2hgx n ALA 636 Cb 0.52 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.68 2hgx n ALA 636 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgx n GLY 637 N 3.75 2.05 3.90 0.00 0.00 -1.26 -4.58 105.19 109.05 2hgx n GLY 637 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 2hgx n GLY 637 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hgx s THR 638 N -3.38 4.86 0.26 2.61 -4.23 -0.69 -3.76 115.64 111.30 2hgx s THR 638 Ca 0.00 0.29 -0.15 0.00 -1.18 0.00 0.00 61.69 60.65 2hgx s THR 638 Cb 0.00 -3.86 0.06 0.00 1.34 0.00 0.00 72.50 70.04 2hgx s THR 638 CO 0.00 -0.88 0.76 -1.54 -0.54 0.00 0.00 174.62 172.41 2hgx n SER 639 N -2.34 -1.75 -4.22 3.99 3.41 -0.77 -4.74 113.62 107.21 2hgx n SER 639 Ca 0.01 -2.11 -0.34 0.00 -0.26 0.00 0.00 58.87 56.18 2hgx n SER 639 Cb 0.55 2.89 -0.15 0.00 -0.26 0.00 0.00 64.21 67.24 2hgx n SER 639 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2hgx s LEU 640 N 0.00 2.66 -0.09 1.04 2.96 -0.43 -0.49 118.68 124.34 2hgx s LEU 640 Ca 0.16 -0.58 -0.25 0.00 -0.22 0.00 0.00 54.13 53.25 2hgx s LEU 640 Cb -0.03 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 2hgx s LEU 640 CO 0.08 -0.03 0.77 -0.47 -1.32 0.00 0.00 176.35 175.38 2hgx s TYR 641 N 1.38 3.54 -0.21 5.38 5.04 0.10 -1.11 117.35 131.47 2hgx s TYR 641 Ca 0.04 1.30 -0.07 0.00 -2.44 0.00 0.00 57.07 55.90 2hgx s TYR 641 Cb -0.14 -2.91 -0.04 0.00 0.35 0.00 0.00 41.96 39.22 2hgx s TYR 641 CO -0.07 -0.03 0.06 0.08 -1.34 0.00 0.00 175.55 174.25 2hgx s VAL 642 N 1.26 4.58 -0.48 3.14 1.01 0.76 -0.84 120.40 129.83 2hgx s VAL 642 Ca 0.39 -0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.31 2hgx s VAL 642 Cb -0.18 -3.09 0.13 0.00 0.00 0.00 0.00 36.38 33.24 2hgx s VAL 642 CO 0.18 0.41 0.23 -0.60 0.00 0.00 0.00 175.10 175.32 2hgx s ARG 643 N 0.86 1.72 0.24 2.72 6.06 -0.09 -2.41 118.95 128.04 2hgx s ARG 643 Ca 0.03 -2.35 -0.25 0.00 -2.50 0.00 0.00 55.73 50.66 2hgx s ARG 643 Cb -0.14 -3.02 -0.09 0.00 0.06 0.00 0.00 34.95 31.77 2hgx s ARG 643 CO 0.02 -1.10 0.85 -2.14 -2.50 0.00 0.00 175.30 170.43 2hgx s PRO 644 N 0.04 4.57 -0.01 5.12 0.02 -1.24 -1.83 135.00 141.67 2hgx s PRO 644 Ca 0.16 1.22 -0.01 0.00 0.02 0.00 0.00 61.00 62.39 2hgx s PRO 644 Cb -0.25 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.21 2hgx s PRO 644 CO -0.01 0.44 0.02 0.08 -0.33 0.00 0.00 177.00 177.20 2hgx s VAL 645 N -1.36 0.01 -0.10 3.83 1.01 0.64 -1.18 120.40 123.25 2hgx s VAL 645 Ca 0.42 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2hgx s VAL 645 Cb -0.21 -0.06 0.02 0.00 0.00 0.00 0.00 36.38 36.13 2hgx s VAL 645 CO 0.26 -0.05 -0.08 -0.22 0.00 0.00 0.00 175.10 175.01 2hgx s LEU 646 N -0.13 1.27 0.10 3.92 2.96 -0.91 -0.93 118.68 124.95 2hgx s LEU 646 Ca -0.02 -0.29 0.07 0.00 -0.22 0.00 0.00 54.13 53.68 2hgx s LEU 646 Cb -0.01 -0.81 -0.03 0.00 0.50 0.00 0.00 46.19 45.84 2hgx s LEU 646 CO -0.00 -0.09 -0.19 0.27 -1.32 0.00 0.00 176.35 175.02 2hgx s ILE 647 N 1.46 1.57 0.33 6.68 -4.36 -0.07 -1.88 121.20 124.93 2hgx s ILE 647 Ca 0.00 -1.53 -0.27 0.00 -0.26 0.00 0.00 60.65 58.59 2hgx s ILE 647 Cb -0.13 -1.47 -0.09 0.00 1.25 0.00 0.00 42.46 42.01 2hgx s ILE 647 CO -0.05 -0.14 1.01 -0.83 0.24 0.00 0.00 174.94 175.17 2hgx s GLY 648 N -1.97 2.88 -0.18 6.27 0.00 0.49 -1.20 107.32 113.61 2hgx s GLY 648 Ca 0.05 0.68 0.22 0.00 0.00 0.00 0.00 44.72 45.67 2hgx s GLY 648 CO 0.04 1.17 1.14 -2.01 0.00 0.00 0.00 173.10 173.44 2hgx n ASN 649 N 0.59 1.70 -4.67 1.64 5.15 0.53 -2.71 115.26 117.48 2hgx n ASN 649 Ca 0.02 -2.25 -0.43 0.00 -0.60 0.00 0.00 54.58 51.32 2hgx n ASN 649 Cb 0.48 -0.42 -0.02 0.00 -0.53 0.00 0.00 39.78 39.29 2hgx n ASN 649 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2hgx s GLU 650 N -2.65 4.31 -0.70 1.20 2.56 -1.24 -4.72 118.70 117.47 2hgx s GLU 650 Ca 0.32 1.33 -0.07 0.00 0.00 0.00 0.00 54.97 56.55 2hgx s GLU 650 Cb 0.35 -3.60 -0.16 0.00 2.00 0.00 0.00 34.13 32.72 2hgx s GLU 650 CO -0.07 -0.50 2.95 -0.35 -0.56 0.00 0.00 175.26 176.73 2hgx n PRO 651 N 5.80 2.45 -3.89 4.30 -0.04 -1.26 -2.17 135.00 140.20 2hgx n PRO 651 Ca 0.10 -1.41 -0.11 0.00 -0.04 0.00 0.00 63.50 62.04 2hgx n PRO 651 Cb 0.47 -2.31 -0.12 0.00 -0.04 0.00 0.00 33.50 31.50 2hgx n PRO 651 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2hgx s SER 652 N 2.35 0.03 0.00 3.54 0.15 -1.20 -4.91 113.70 113.65 2hgx s SER 652 Ca 0.59 -0.09 0.13 0.00 0.70 0.00 0.00 55.95 57.28 2hgx s SER 652 Cb 0.22 0.15 0.41 0.00 -1.71 0.00 0.00 66.02 65.08 2hgx s SER 652 CO -0.03 -0.16 1.32 0.18 1.20 0.00 0.00 173.24 175.76 2hgx n LEU 653 N 2.36 1.78 -4.78 3.45 4.77 -1.26 -4.57 117.00 118.75 2hgx n LEU 653 Ca -0.17 -0.86 -0.39 0.00 -0.03 0.00 0.00 56.01 54.56 2hgx n LEU 653 Cb 0.58 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 2hgx n LEU 653 CO 0.22 0.43 0.43 -0.83 -1.33 0.00 0.00 177.39 176.31 2hgx s GLY 654 N -1.13 2.83 -0.91 -0.72 0.00 -1.26 -4.99 107.32 101.13 2hgx s GLY 654 Ca 0.25 0.26 -0.23 0.00 0.00 0.00 0.00 44.72 45.00 2hgx s GLY 654 CO 0.18 0.83 1.34 0.14 0.00 0.00 0.00 173.10 175.59 2hgx s VAL 655 N -0.84 3.99 0.30 1.40 1.01 -1.26 -4.93 120.40 120.07 2hgx s VAL 655 Ca 0.35 -0.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 2hgx s VAL 655 Cb -0.22 -4.97 0.01 0.00 0.00 0.00 0.00 36.38 31.21 2hgx s VAL 655 CO 0.24 -1.84 0.55 -0.94 0.00 0.00 0.00 175.10 173.11 2hgx s SER 656 N 4.42 0.22 0.04 3.32 1.04 -1.26 -5.13 113.70 116.35 2hgx s SER 656 Ca 0.40 -1.11 -0.30 0.00 0.48 0.00 0.00 55.95 55.41 2hgx s SER 656 Cb -0.04 0.67 -0.08 0.00 0.10 0.00 0.00 66.02 66.68 2hgx s SER 656 CO -0.02 -1.31 1.71 -1.58 0.98 0.00 0.00 173.24 173.02 2hgx s GLN 657 N -3.40 4.18 0.38 4.02 0.74 -1.26 -4.96 119.66 119.37 2hgx s GLN 657 Ca 0.23 2.36 -0.27 0.00 0.05 0.00 0.00 55.36 57.72 2hgx s GLN 657 Cb -0.02 -3.77 -0.10 0.00 1.10 0.00 0.00 33.01 30.22 2hgx s GLN 657 CO 0.13 -0.80 1.36 -2.14 -0.55 0.00 0.00 175.29 173.29 2hgx s PRO 658 N 3.24 4.11 0.00 1.67 0.02 -1.26 -4.92 135.00 137.86 2hgx s PRO 658 Ca 0.76 2.31 0.23 0.00 0.02 0.00 0.00 61.00 64.32 2hgx s PRO 658 Cb -0.39 -2.91 0.32 0.00 0.02 0.00 0.00 34.50 31.54 2hgx s PRO 658 CO 0.33 -0.43 1.32 0.54 -0.33 0.00 0.00 177.00 178.43 2hgx n ARG 659 N 0.42 2.35 -3.78 5.54 1.74 -1.26 -4.90 116.66 116.77 2hgx n ARG 659 Ca 0.02 -2.10 -0.13 0.00 -0.77 0.00 0.00 57.85 54.87 2hgx n ARG 659 Cb 0.42 -1.47 -0.12 0.00 -1.02 0.00 0.00 32.46 30.26 2hgx n ARG 659 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2hgx s ARG 660 N -1.62 0.26 0.18 5.56 3.52 -1.26 -3.47 118.95 122.13 2hgx s ARG 660 Ca 0.33 0.36 -0.06 0.00 -0.13 0.00 0.00 55.73 56.23 2hgx s ARG 660 Cb 0.21 0.09 -0.02 0.00 -1.56 0.00 0.00 34.95 33.66 2hgx s ARG 660 CO 0.30 -0.06 0.23 0.00 -0.81 0.00 0.00 175.30 174.96 2hgx s ALA 661 N 0.32 0.45 -0.05 6.12 0.00 -0.45 -0.35 121.76 127.80 2hgx s ALA 661 Ca -0.02 -1.22 -0.02 0.00 0.00 0.00 0.00 51.96 50.70 2hgx s ALA 661 Cb -0.03 1.04 0.04 0.00 0.00 0.00 0.00 23.12 24.17 2hgx s ALA 661 CO -0.01 -0.64 0.10 -1.17 0.00 0.00 0.00 175.76 174.04 2hgx s LEU 662 N -3.04 0.46 -0.18 0.00 2.96 -0.34 -1.27 118.68 117.26 2hgx s LEU 662 Ca 0.25 0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 54.33 2hgx s LEU 662 Cb 0.04 0.12 -0.01 0.00 0.50 0.00 0.00 46.19 46.84 2hgx s LEU 662 CO 0.05 -0.19 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.59 2hgx s LEU 663 N 1.67 2.83 0.04 -0.68 0.20 0.12 -0.90 118.68 121.96 2hgx s LEU 663 Ca -0.03 -0.36 0.01 0.00 0.69 0.00 0.00 54.13 54.44 2hgx s LEU 663 Cb -0.12 -1.69 -0.03 0.00 -0.43 0.00 0.00 46.19 43.92 2hgx s LEU 663 CO -0.04 0.06 -0.06 0.72 -0.29 0.00 0.00 176.35 176.73 2hgx s PHE 664 N 1.02 0.53 -0.07 5.38 -0.71 -0.11 -0.44 117.98 123.57 2hgx s PHE 664 Ca -0.00 -0.58 0.01 0.00 -1.04 0.00 0.00 56.93 55.32 2hgx s PHE 664 Cb -0.15 -0.33 0.02 0.00 -1.21 0.00 0.00 43.02 41.35 2hgx s PHE 664 CO -0.01 -0.15 -0.08 0.08 -1.34 0.00 0.00 175.22 173.72 2hgx s VAL 665 N -1.76 0.88 0.18 -2.49 1.01 -0.63 -0.26 120.40 117.34 2hgx s VAL 665 Ca -0.09 -0.30 0.11 0.00 0.00 0.00 0.00 61.98 61.69 2hgx s VAL 665 Cb -0.08 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 2hgx s VAL 665 CO -0.01 0.31 -0.23 0.27 0.00 0.00 0.00 175.10 175.44 2hgx s ILE 666 N 0.97 2.23 0.05 2.22 -4.36 -0.76 -1.60 121.20 119.94 2hgx s ILE 666 Ca -0.10 -1.99 0.08 0.00 -0.26 0.00 0.00 60.65 58.38 2hgx s ILE 666 Cb -0.15 -2.05 -0.03 0.00 1.25 0.00 0.00 42.46 41.49 2hgx s ILE 666 CO 0.00 -0.15 -0.22 -0.76 0.24 0.00 0.00 174.94 174.05 2hgx s LEU 667 N -2.64 2.18 -0.07 0.37 1.43 -1.26 -0.91 118.68 117.78 2hgx s LEU 667 Ca 0.19 -0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 52.73 2hgx s LEU 667 Cb -0.08 -1.04 0.03 0.00 0.03 0.00 0.00 46.19 45.14 2hgx s LEU 667 CO 0.09 0.17 0.00 0.00 0.23 0.00 0.00 176.35 176.84 2hgx s PRO 669 N 1.86 4.39 0.10 0.00 0.04 -1.25 0.02 135.00 140.17 2hgx s PRO 669 Ca 0.03 1.69 0.09 0.00 0.04 0.00 0.00 61.00 62.85 2hgx s PRO 669 Cb -0.12 -3.48 -0.03 0.00 0.04 0.00 0.00 34.50 30.90 2hgx s PRO 669 CO -0.05 -0.35 -0.23 0.14 0.04 0.00 0.00 177.00 176.55 2hgx s VAL 670 N 1.74 1.86 0.68 -0.36 -7.23 0.36 -4.75 120.40 112.70 2hgx s VAL 670 Ca 0.57 -1.56 -0.09 0.00 -1.81 0.00 0.00 61.98 59.09 2hgx s VAL 670 Cb -0.26 -1.67 0.15 0.00 0.56 0.00 0.00 36.38 35.17 2hgx s VAL 670 CO 0.25 0.02 0.92 0.61 -0.31 0.00 0.00 175.10 176.59 2hgx n GLY 671 N 1.14 -0.75 3.74 2.32 0.00 -0.99 -1.85 105.19 108.80 2hgx n GLY 671 Ca -0.19 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 2hgx n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgx s ALA 672 N -3.69 3.54 0.28 4.61 0.00 -1.25 -4.63 121.76 120.62 2hgx s ALA 672 Ca 0.55 1.17 0.05 0.00 0.00 0.00 0.00 51.96 53.72 2hgx s ALA 672 Cb -0.02 -3.49 0.41 0.00 0.00 0.00 0.00 23.12 20.02 2hgx s ALA 672 CO 0.38 -0.58 1.68 -0.92 0.00 0.00 0.00 175.76 176.32 2hgx h TYR 673 N 4.99 0.36 -3.15 0.00 3.20 -1.84 -3.32 116.97 117.21 2hgx h TYR 673 Ca -0.46 -0.10 -0.63 0.00 3.14 0.00 0.00 58.73 60.69 2hgx h TYR 673 Cb 1.22 -0.08 -0.41 0.00 1.54 0.00 0.00 36.73 38.99 2hgx h TYR 673 CO 0.61 0.67 -0.55 -0.06 -1.64 0.00 0.00 178.16 177.18 2hgx s PHE 674 N -4.18 3.53 0.26 -3.82 0.40 -1.26 -5.05 117.98 107.85 2hgx s PHE 674 Ca -0.05 -3.29 -0.30 0.00 -0.60 0.00 0.00 56.93 52.68 2hgx s PHE 674 Cb 0.13 -2.76 -0.11 0.00 0.51 0.00 0.00 43.02 40.79 2hgx s PHE 674 CO 0.78 -0.59 1.59 -2.14 0.70 0.00 0.00 175.22 175.56 2hgx s PRO 675 N -1.25 4.15 0.00 0.24 0.02 -1.25 -2.11 135.00 134.81 2hgx s PRO 675 Ca 0.24 2.53 0.00 0.00 0.02 0.00 0.00 61.00 63.78 2hgx s PRO 675 Cb -0.08 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.38 2hgx s PRO 675 CO -0.13 -0.62 0.00 0.41 -0.33 0.00 0.00 177.00 176.33 2hgx n GLY 676 N 2.59 0.45 1.40 0.52 0.00 -1.26 -4.38 105.19 104.51 2hgx n GLY 676 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2hgx n GLY 676 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgx n GLY 677 N -2.00 3.16 3.70 -0.02 0.00 -0.90 -5.03 105.19 104.10 2hgx n GLY 677 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2hgx n GLY 677 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hgx s SER 678 N -0.47 7.06 0.06 1.61 0.01 -1.26 -5.02 113.70 115.69 2hgx s SER 678 Ca 0.00 1.91 -0.30 0.00 1.31 0.00 0.00 55.95 58.87 2hgx s SER 678 Cb 0.00 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 2hgx s SER 678 CO 0.00 -0.54 0.99 0.68 0.41 0.00 0.00 173.24 174.78 2hgx s VAL 679 N 1.72 4.63 -0.04 3.43 -7.23 -1.26 -4.72 120.40 116.93 2hgx s VAL 679 Ca 0.57 2.01 0.05 0.00 -1.81 0.00 0.00 61.98 62.81 2hgx s VAL 679 Cb -0.27 -4.29 -0.01 0.00 0.56 0.00 0.00 36.38 32.37 2hgx s VAL 679 CO 0.25 0.23 -0.20 0.42 -0.31 0.00 0.00 175.10 175.49 2hgx s THR 680 N 0.54 1.66 0.69 5.32 -4.23 -1.26 -5.08 115.64 113.30 2hgx s THR 680 Ca 0.50 -0.86 -0.09 0.00 -1.18 0.00 0.00 61.69 60.07 2hgx s THR 680 Cb -0.23 -1.42 0.04 0.00 1.34 0.00 0.00 72.50 72.24 2hgx s THR 680 CO 0.29 0.47 1.04 -2.16 -0.54 0.00 0.00 174.62 173.72 2hgx s PRO 681 N -0.10 2.52 0.10 3.99 0.04 -1.26 -4.49 135.00 135.80 2hgx s PRO 681 Ca -0.02 0.07 0.10 0.00 0.04 0.00 0.00 61.00 61.19 2hgx s PRO 681 Cb -0.12 -2.12 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 2hgx s PRO 681 CO 0.02 -1.11 -0.26 0.14 0.04 0.00 0.00 177.00 175.84 2hgx s VAL 682 N -3.27 2.29 -0.09 -0.36 -7.23 -0.29 -4.91 120.40 106.54 2hgx s VAL 682 Ca 0.58 -1.58 -0.05 0.00 -1.81 0.00 0.00 61.98 59.12 2hgx s VAL 682 Cb -0.11 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 2hgx s VAL 682 CO 0.47 0.20 0.11 -0.94 -0.31 0.00 0.00 175.10 174.63 2hgx s SER 683 N -1.75 6.09 0.03 4.85 1.04 -1.26 -2.55 113.70 120.15 2hgx s SER 683 Ca 0.14 0.37 0.08 0.00 0.48 0.00 0.00 55.95 57.02 2hgx s SER 683 Cb -0.10 -1.90 -0.03 0.00 0.10 0.00 0.00 66.02 64.09 2hgx s SER 683 CO 0.05 0.38 -0.23 -0.76 0.98 0.00 0.00 173.24 173.66 2hgx s LEU 684 N -1.13 2.31 -0.24 2.42 1.43 0.40 -1.48 118.68 122.39 2hgx s LEU 684 Ca 0.16 -0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 2hgx s LEU 684 Cb -0.12 -1.37 -0.05 0.00 0.03 0.00 0.00 46.19 44.69 2hgx s LEU 684 CO 0.06 0.27 0.25 -0.22 0.23 0.00 0.00 176.35 176.93 2hgx s LEU 685 N -1.21 4.10 -0.50 1.79 2.96 -0.65 0.17 118.68 125.35 2hgx s LEU 685 Ca 0.12 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 2hgx s LEU 685 Cb -0.10 -2.24 0.13 0.00 0.50 0.00 0.00 46.19 44.48 2hgx s LEU 685 CO 0.03 -0.01 0.26 0.00 -1.32 0.00 0.00 176.35 175.31 2hgx s ALA 686 N 1.33 3.29 -0.18 5.97 0.00 -0.20 -0.72 121.76 131.26 2hgx s ALA 686 Ca 0.11 -3.02 0.01 0.00 0.00 0.00 0.00 51.96 49.06 2hgx s ALA 686 Cb -0.14 -2.31 0.03 0.00 0.00 0.00 0.00 23.12 20.69 2hgx s ALA 686 CO 0.07 -1.95 -0.15 0.34 0.00 0.00 0.00 175.76 174.07 2hgx s ASP 687 N 0.55 3.14 0.24 0.00 -1.08 -1.26 -4.31 116.67 113.95 2hgx s ASP 687 Ca 0.14 -0.71 0.19 0.00 -0.52 0.00 0.00 52.55 51.66 2hgx s ASP 687 Cb -0.22 -1.31 0.94 0.00 -1.46 0.00 0.00 42.92 40.87 2hgx s ASP 687 CO -0.03 -0.07 1.59 -0.81 0.52 0.00 0.00 175.17 176.36 2hgx n PRO 688 N 4.68 0.13 0.28 4.34 -0.04 -1.26 -2.66 135.00 140.47 2hgx n PRO 688 Ca -0.17 0.53 0.18 0.00 -0.04 0.00 0.00 63.50 63.99 2hgx n PRO 688 Cb 0.48 -1.85 0.76 0.00 -0.04 0.00 0.00 33.50 32.86 2hgx n PRO 688 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hgx h ALA 689 N 2.12 1.00 -3.00 0.55 0.00 -1.95 -3.41 119.26 114.57 2hgx h ALA 689 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 2hgx h ALA 689 Cb 0.14 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 17.72 2hgx h ALA 689 CO 0.00 0.00 -0.60 -0.06 0.00 0.00 0.00 179.25 178.59 2hgx s PHE 690 N -3.72 3.12 -0.12 0.00 2.99 -1.09 -5.09 117.98 114.07 2hgx s PHE 690 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 56.93 56.67 2hgx s PHE 690 Cb 0.10 -2.22 0.01 0.00 0.00 0.00 0.00 43.02 40.90 2hgx s PHE 690 CO 0.50 -0.25 -0.20 0.42 -0.00 0.00 0.00 175.22 175.69 2hgx s ILE 691 N 1.42 1.89 0.02 0.64 -1.09 -1.26 -4.46 121.20 118.35 2hgx s ILE 691 Ca 0.06 -0.88 -0.16 0.00 -2.23 0.00 0.00 60.65 57.43 2hgx s ILE 691 Cb -0.15 -1.67 -0.35 0.00 -1.58 0.00 0.00 42.46 38.70 2hgx s ILE 691 CO 0.04 0.52 0.98 -0.09 -1.23 0.00 0.00 174.94 175.16 2hgx h ARG 692 N 7.26 0.53 -3.36 2.79 2.43 -1.96 -3.49 114.38 118.58 2hgx h ARG 692 Ca -0.30 -0.90 -0.03 0.00 -0.81 0.00 0.00 59.98 57.94 2hgx h ARG 692 Cb 1.19 0.33 -0.10 0.00 -0.42 0.00 0.00 29.97 30.98 2hgx h ARG 692 CO 0.52 1.43 0.00 0.00 -1.51 0.00 0.00 179.97 180.42 2hgx s ALA 693 N -2.59 -0.83 0.08 2.80 0.00 -1.26 -4.88 121.76 115.08 2hgx s ALA 693 Ca -0.10 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.57 2hgx s ALA 693 Cb 0.04 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.99 2hgx s ALA 693 CO 0.94 -0.81 -0.08 -0.46 0.00 0.00 0.00 175.76 175.35 2hgx s TRP 694 N -3.89 0.88 0.03 0.00 -0.11 -1.26 -4.99 118.94 109.59 2hgx s TRP 694 Ca 0.11 -0.68 -0.30 0.00 1.22 0.00 0.00 56.10 56.44 2hgx s TRP 694 Cb -0.01 -0.50 -0.06 0.00 -1.50 0.00 0.00 33.47 31.39 2hgx s TRP 694 CO -0.01 -0.08 1.46 0.08 -4.62 0.00 0.00 176.95 173.78 2hgx s VAL 695 N -2.45 3.50 0.00 5.86 1.01 -1.26 -0.96 120.40 126.10 2hgx s VAL 695 Ca 0.02 0.93 0.00 0.00 0.00 0.00 0.00 61.98 62.93 2hgx s VAL 695 Cb -0.03 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.76 2hgx s VAL 695 CO -0.01 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.70 2hgx n GLY 696 N 3.71 0.55 0.00 4.51 0.00 -1.26 -5.06 105.19 107.64 2hgx n GLY 696 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2hgx n GLY 696 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgx n GLY 697 N -1.85 1.78 0.24 -0.02 0.00 -0.13 -5.07 105.19 100.14 2hgx n GLY 697 Ca 0.00 -1.91 0.07 0.00 0.00 0.00 0.00 46.02 44.18 2hgx n GLY 697 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hgx n VAL 698 N 0.00 1.29 0.31 1.61 0.24 -1.26 -4.80 118.33 115.72 2hgx n VAL 698 Ca 0.00 -1.58 0.15 0.00 -2.04 0.00 0.00 64.34 60.87 2hgx n VAL 698 Cb 0.00 0.00 0.67 0.00 -1.47 0.00 0.00 33.84 33.04 2hgx n VAL 698 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2hgx h GLY 699 N 0.04 0.00 -0.78 7.63 0.00 -1.84 -2.40 103.07 105.72 2hgx h GLY 699 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2hgx h GLY 699 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.70 2hgx n ASN 700 N -2.59 1.47 -4.32 0.19 2.04 -1.21 -3.95 115.26 106.89 2hgx n ASN 700 Ca 0.00 -1.79 -0.28 0.00 -0.44 0.00 0.00 54.58 52.07 2hgx n ASN 700 Cb 0.19 -0.13 -0.14 0.00 -2.53 0.00 0.00 39.78 37.17 2hgx n ASN 700 CO 0.00 0.00 0.00 -0.31 -0.44 0.00 0.00 177.26 176.51 2hgx s TYR 701 N -1.74 2.14 -1.31 -2.53 2.02 -0.91 -4.39 117.35 110.64 2hgx s TYR 701 Ca 0.27 -0.40 -0.12 0.00 -0.37 0.00 0.00 57.07 56.46 2hgx s TYR 701 Cb 0.14 -1.27 0.13 0.00 -0.40 0.00 0.00 41.96 40.57 2hgx s TYR 701 CO 0.21 0.14 1.87 1.17 -1.57 0.00 0.00 175.55 177.37 2hgx n LYS 702 N 1.68 3.38 -4.26 -0.62 4.81 -1.26 -4.95 118.16 116.94 2hgx n LYS 702 Ca -0.17 -3.37 -0.35 0.00 -0.87 0.00 0.00 58.31 53.56 2hgx n LYS 702 Cb 0.52 -3.06 -0.09 0.00 0.02 0.00 0.00 35.03 32.42 2hgx n LYS 702 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2hgx s LEU 703 N 0.97 3.71 0.35 3.14 1.43 -1.26 -2.19 118.68 124.83 2hgx s LEU 703 Ca 0.43 0.16 0.12 0.00 -1.03 0.00 0.00 54.13 53.81 2hgx s LEU 703 Cb 0.08 -1.94 0.93 0.00 0.03 0.00 0.00 46.19 45.29 2hgx s LEU 703 CO -0.01 0.35 1.77 1.23 0.23 0.00 0.00 176.35 179.93 2hgx h GLY 704 N 4.87 1.51 1.13 -3.19 0.00 -1.84 -1.98 103.07 103.57 2hgx h GLY 704 Ca -0.51 -0.28 0.10 0.00 0.00 0.00 0.00 47.33 46.64 2hgx h GLY 704 CO 0.56 -0.12 0.34 -1.33 0.00 0.00 0.00 176.54 176.00 2hgx h GLY 705 N 0.56 0.00 2.00 4.60 0.00 -1.85 -1.62 103.07 106.76 2hgx h GLY 705 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 2hgx h GLY 705 CO -0.35 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.89 2hgx n ASN 706 N -3.85 0.66 -0.13 0.19 5.03 -0.74 -4.30 115.26 112.11 2hgx n ASN 706 Ca 0.05 0.57 -0.19 0.00 0.87 0.00 0.00 54.58 55.88 2hgx n ASN 706 Cb 0.50 -0.75 -0.11 0.00 -1.02 0.00 0.00 39.78 38.40 2hgx n ASN 706 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2hgx n TYR 707 N -2.13 0.00 -0.20 3.10 4.02 -0.61 -4.53 117.16 116.81 2hgx n TYR 707 Ca 0.05 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.95 2hgx n TYR 707 Cb 0.39 -0.98 0.10 0.00 -0.02 0.00 0.00 39.34 38.83 2hgx n TYR 707 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2hgx h GLY 708 N 1.50 0.69 2.00 2.72 0.00 -1.74 -1.34 103.07 106.90 2hgx h GLY 708 Ca -0.59 0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.80 2hgx h GLY 708 CO -0.14 -0.18 0.00 -1.05 0.00 0.00 0.00 176.54 175.17 2hgx n PRO 709 N -5.24 0.16 0.16 4.80 -0.02 -1.26 -2.70 135.00 130.89 2hgx n PRO 709 Ca 0.09 0.56 0.12 0.00 -2.02 0.00 0.00 63.50 62.25 2hgx n PRO 709 Cb 0.35 -1.93 0.21 0.00 -0.02 0.00 0.00 33.50 32.11 2hgx n PRO 709 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2hgx h THR 710 N 0.00 0.00 -0.41 3.45 1.35 -1.47 -3.37 112.91 112.46 2hgx h THR 710 Ca 0.00 -0.80 0.04 0.00 -0.55 0.00 0.00 66.41 65.10 2hgx h THR 710 Cb 0.14 1.70 -0.04 0.00 -1.73 0.00 0.00 68.15 68.22 2hgx h THR 710 CO 0.00 0.00 0.17 0.58 -0.25 0.00 0.00 175.52 176.02 2hgx h VAL 711 N 0.00 0.92 -0.29 6.82 2.07 -1.59 -0.71 116.25 123.47 2hgx h VAL 711 Ca 0.00 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 67.31 2hgx h VAL 711 Cb 0.90 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2hgx h VAL 711 CO 0.00 0.07 -0.20 0.25 0.02 0.00 0.00 177.57 177.71 2hgx h LEU 712 N 0.36 0.53 -0.48 2.57 5.85 -1.81 -2.22 115.31 120.11 2hgx h LEU 712 Ca 0.18 -0.17 -0.14 0.00 0.84 0.00 0.00 57.88 58.59 2hgx h LEU 712 Cb 0.13 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2hgx h LEU 712 CO -0.16 0.74 -0.28 0.58 -0.34 0.00 0.00 178.44 178.98 2hgx h VAL 713 N 0.48 1.27 -0.45 1.05 2.07 -1.66 -2.33 116.25 116.68 2hgx h VAL 713 Ca 0.08 -1.45 -0.08 0.00 0.82 0.00 0.00 66.70 66.07 2hgx h VAL 713 Cb 0.62 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2hgx h VAL 713 CO 0.04 0.49 -0.05 -0.61 0.02 0.00 0.00 177.57 177.47 2hgx h GLN 714 N 0.81 0.77 -0.15 1.57 5.75 -0.89 -1.52 115.11 121.45 2hgx h GLN 714 Ca 0.09 -0.23 -0.09 0.00 -0.15 0.00 0.00 58.65 58.28 2hgx h GLN 714 Cb 0.86 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.32 2hgx h GLN 714 CO 0.08 0.81 -0.31 1.96 -2.65 0.00 0.00 178.83 178.72 2hgx h GLN 715 N 0.71 0.29 -0.14 1.69 4.20 -1.21 -1.25 115.11 119.41 2hgx h GLN 715 Ca 0.13 -0.11 -0.15 0.00 0.06 0.00 0.00 58.65 58.58 2hgx h GLN 715 Cb 0.50 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2hgx h GLN 715 CO 0.03 0.58 -0.55 1.49 -0.67 0.00 0.00 178.83 179.70 2hgx h GLU 716 N 0.26 0.43 -0.50 1.46 4.57 -0.99 -1.30 114.58 118.51 2hgx h GLU 716 Ca 0.04 -0.27 -0.09 0.00 -1.18 0.00 0.00 59.36 57.86 2hgx h GLU 716 Cb 0.67 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 2hgx h GLU 716 CO 0.05 0.87 -0.03 0.00 -1.18 0.00 0.00 179.01 178.71 2hgx h ALA 717 N 1.08 0.67 -0.38 2.92 0.00 -0.75 -2.11 119.26 120.69 2hgx h ALA 717 Ca 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 2hgx h ALA 717 Cb 1.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2hgx h ALA 717 CO 0.10 0.51 -0.17 -0.07 0.00 0.00 0.00 179.25 179.62 2hgx h LEU 718 N 0.76 0.71 -1.00 0.00 3.38 -1.06 0.84 115.31 118.94 2hgx h LEU 718 Ca 0.14 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 2hgx h LEU 718 Cb 0.57 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2hgx h LEU 718 CO 0.03 0.89 -0.31 0.50 0.09 0.00 0.00 178.44 179.64 2hgx h LYS 719 N 0.63 0.33 -0.22 1.13 3.64 -1.06 -2.21 116.57 118.81 2hgx h LYS 719 Ca 0.10 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2hgx h LYS 719 Cb 0.65 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2hgx h LYS 719 CO 0.05 0.62 0.00 0.54 -2.27 0.00 0.00 179.45 178.38 2hgx n ARG 720 N -4.09 1.52 -0.92 1.90 1.74 -0.81 -4.90 116.66 111.10 2hgx n ARG 720 Ca -0.01 -0.81 0.00 0.00 -0.77 0.00 0.00 57.85 56.26 2hgx n ARG 720 Cb 0.42 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.68 2hgx n ARG 720 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hgx n GLY 721 N 0.87 0.48 3.69 -0.13 0.00 -0.83 -5.06 105.19 104.22 2hgx n GLY 721 Ca 0.08 -0.54 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 2hgx n GLY 721 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgx h GLU 723 N 3.33 0.42 -4.79 0.00 3.07 -1.52 -3.04 114.58 112.05 2hgx h GLU 723 Ca -0.48 -0.72 -0.38 0.00 -0.50 0.00 0.00 59.36 57.29 2hgx h GLU 723 Cb 1.17 0.27 -0.14 0.00 -0.84 0.00 0.00 28.75 29.21 2hgx h GLU 723 CO 0.60 1.33 -0.55 -0.65 -1.40 0.00 0.00 179.01 178.34 2hgx s GLN 724 N -2.62 1.52 -0.17 2.33 -0.21 -0.97 -4.85 119.66 114.70 2hgx s GLN 724 Ca -0.08 -1.85 -0.06 0.00 0.02 0.00 0.00 55.36 53.39 2hgx s GLN 724 Cb 0.05 0.17 -0.04 0.00 1.00 0.00 0.00 33.01 34.20 2hgx s GLN 724 CO 0.91 -0.50 0.03 0.08 -2.12 0.00 0.00 175.29 173.69 2hgx s VAL 725 N -3.74 4.49 -0.41 1.09 1.01 -1.26 -1.63 120.40 119.95 2hgx s VAL 725 Ca 0.39 -0.14 -0.18 0.00 0.00 0.00 0.00 61.98 62.04 2hgx s VAL 725 Cb 0.05 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.45 2hgx s VAL 725 CO 0.19 0.48 0.49 -0.22 0.00 0.00 0.00 175.10 176.04 2hgx s LEU 726 N 0.26 4.71 -0.43 3.92 2.96 0.11 -0.59 118.68 129.62 2hgx s LEU 726 Ca 0.01 -0.51 -0.29 0.00 -0.22 0.00 0.00 54.13 53.12 2hgx s LEU 726 Cb -0.13 -2.48 0.03 0.00 0.50 0.00 0.00 46.19 44.11 2hgx s LEU 726 CO 0.01 -0.60 1.13 0.26 -1.32 0.00 0.00 176.35 175.83 2hgx s TRP 727 N 2.31 2.89 0.09 5.38 0.52 -0.30 -4.37 118.94 125.46 2hgx s TRP 727 Ca 0.15 0.85 -0.04 0.00 0.02 0.00 0.00 56.10 57.08 2hgx s TRP 727 Cb -0.16 -4.23 -0.05 0.00 -1.15 0.00 0.00 33.47 27.88 2hgx s TRP 727 CO 0.15 -1.16 0.30 -0.51 0.02 0.00 0.00 176.95 175.75 2hgx s LEU 728 N 4.26 4.32 0.01 2.99 1.43 -1.26 -1.36 118.68 129.07 2hgx s LEU 728 Ca 0.48 0.48 0.01 0.00 -1.03 0.00 0.00 54.13 54.08 2hgx s LEU 728 Cb -0.09 -3.07 -0.01 0.00 0.03 0.00 0.00 46.19 43.06 2hgx s LEU 728 CO 0.27 0.13 -0.05 -0.47 0.23 0.00 0.00 176.35 176.47 2hgx s TYR 729 N -1.54 0.41 0.10 0.29 5.04 0.03 -4.72 117.35 116.97 2hgx s TYR 729 Ca 0.36 -0.16 0.00 0.00 -2.44 0.00 0.00 57.07 54.83 2hgx s TYR 729 Cb -0.13 -0.26 0.00 0.00 0.35 0.00 0.00 41.96 41.92 2hgx s TYR 729 CO 0.24 -0.03 0.00 0.41 -1.34 0.00 0.00 175.55 174.83 2hgx n GLY 730 N 2.67 -2.03 0.23 8.97 0.00 -1.26 0.01 105.19 113.79 2hgx n GLY 730 Ca -0.15 -1.42 0.16 0.00 0.00 0.00 0.00 46.02 44.61 2hgx n GLY 730 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hgx h PRO 731 N -0.29 0.00 -0.16 1.61 0.13 -2.01 -2.43 132.00 128.85 2hgx h PRO 731 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2hgx h PRO 731 Cb 0.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.41 2hgx h PRO 731 CO 0.01 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.38 2hgx n ASP 732 N -2.83 1.93 -3.62 1.44 5.75 -1.26 -4.98 116.55 112.97 2hgx n ASP 732 Ca 0.01 -1.72 -0.28 0.00 -0.01 0.00 0.00 54.79 52.79 2hgx n ASP 732 Cb 0.28 -0.10 0.04 0.00 -1.03 0.00 0.00 41.12 40.30 2hgx n ASP 732 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 2hgx n HIS 733 N 0.49 -2.03 -2.36 2.11 8.25 -0.91 -4.12 115.22 116.65 2hgx n HIS 733 Ca 0.17 0.55 -0.42 0.00 -0.26 0.00 0.00 57.72 57.76 2hgx n HIS 733 Cb 0.38 -3.45 -0.03 0.00 1.12 0.00 0.00 29.99 28.01 2hgx n HIS 733 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 2hgx s GLN 734 N -5.58 4.45 -0.11 -0.41 -0.21 0.10 -1.72 119.66 116.17 2hgx s GLN 734 Ca 0.40 1.87 -0.30 0.00 0.02 0.00 0.00 55.36 57.35 2hgx s GLN 734 Cb -0.14 -3.27 -0.01 0.00 1.00 0.00 0.00 33.01 30.59 2hgx s GLN 734 CO 0.85 -0.19 1.04 -0.51 -2.12 0.00 0.00 175.29 174.36 2hgx s LEU 735 N 0.35 4.23 -0.02 2.90 1.02 0.57 -0.79 118.68 126.94 2hgx s LEU 735 Ca 0.56 1.55 -0.06 0.00 0.02 0.00 0.00 54.13 56.20 2hgx s LEU 735 Cb -0.32 -3.55 -0.02 0.00 0.02 0.00 0.00 46.19 42.31 2hgx s LEU 735 CO 0.33 -0.49 -0.12 0.35 0.02 0.00 0.00 176.35 176.44 2hgx n THR 736 N 4.65 1.04 -4.19 5.49 -2.24 -0.46 -4.63 114.28 113.95 2hgx n THR 736 Ca 0.09 0.27 -0.11 0.00 -2.27 0.00 0.00 64.05 62.04 2hgx n THR 736 Cb 0.48 -1.77 -0.10 0.00 -2.10 0.00 0.00 70.33 66.84 2hgx n THR 736 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2hgx s GLU 737 N -2.08 0.88 -0.35 -0.78 0.41 -1.24 -4.03 118.70 111.50 2hgx s GLU 737 Ca -0.10 -1.36 0.03 0.00 -0.41 0.00 0.00 54.97 53.13 2hgx s GLU 737 Cb 0.01 -0.27 0.10 0.00 -1.78 0.00 0.00 34.13 32.19 2hgx s GLU 737 CO 0.15 -0.01 0.08 0.08 -0.49 0.00 0.00 175.26 175.07 2hgx s VAL 738 N -3.58 2.45 0.00 2.63 1.01 0.14 -1.15 120.40 121.90 2hgx s VAL 738 Ca 0.13 -2.30 0.00 0.00 0.00 0.00 0.00 61.98 59.81 2hgx s VAL 738 Cb 0.05 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.64 2hgx s VAL 738 CO -0.04 -0.61 0.00 0.61 0.00 0.00 0.00 175.10 175.06 2hgx n GLY 739 N 4.31 2.08 1.32 4.51 0.00 0.24 -0.44 105.19 117.21 2hgx n GLY 739 Ca 0.03 0.24 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 2hgx n GLY 739 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2hgx n THR 740 N 0.00 2.52 -4.28 2.61 -2.24 -1.26 -4.98 114.28 106.65 2hgx n THR 740 Ca 0.00 -3.33 -0.21 0.00 -2.27 0.00 0.00 64.05 58.24 2hgx n THR 740 Cb 0.00 -0.58 -0.12 0.00 -2.10 0.00 0.00 70.33 67.53 2hgx n THR 740 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2hgx s MET 741 N -3.39 1.11 0.39 -0.78 -1.94 0.42 -4.86 119.30 110.25 2hgx s MET 741 Ca 0.46 -1.24 -0.19 0.00 -1.71 0.00 0.00 55.69 53.01 2hgx s MET 741 Cb 0.40 -1.18 -0.10 0.00 2.01 0.00 0.00 34.83 35.96 2hgx s MET 741 CO -0.01 0.25 0.87 -0.80 -0.01 0.00 0.00 175.02 175.32 2hgx s ASN 742 N -2.28 6.88 -0.12 3.03 0.01 -0.33 -0.69 114.94 121.45 2hgx s ASN 742 Ca 0.09 1.54 -0.05 0.00 -0.71 0.00 0.00 52.86 53.73 2hgx s ASN 742 Cb -0.07 -2.48 -0.04 0.00 0.41 0.00 0.00 41.25 39.07 2hgx s ASN 742 CO 0.04 -0.30 0.09 -0.51 -1.51 0.00 0.00 177.10 174.91 2hgx s ILE 743 N -2.10 5.04 0.01 0.60 2.07 -1.26 -0.65 121.20 124.91 2hgx s ILE 743 Ca 0.59 0.04 0.05 0.00 -1.41 0.00 0.00 60.65 59.92 2hgx s ILE 743 Cb -0.10 -3.18 -0.02 0.00 0.13 0.00 0.00 42.46 39.29 2hgx s ILE 743 CO 0.15 0.60 -0.16 -0.36 -1.91 0.00 0.00 174.94 173.25 2hgx s PHE 744 N -0.82 1.41 -0.08 3.50 0.40 0.45 -4.19 117.98 118.65 2hgx s PHE 744 Ca 0.13 -0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.17 2hgx s PHE 744 Cb -0.12 -0.88 0.02 0.00 0.51 0.00 0.00 43.02 42.55 2hgx s PHE 744 CO 0.03 0.02 -0.12 0.08 0.70 0.00 0.00 175.22 175.93 2hgx s VAL 745 N -0.59 1.16 -0.33 -0.44 1.01 -0.20 -1.52 120.40 119.49 2hgx s VAL 745 Ca 0.05 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 2hgx s VAL 745 Cb -0.07 -1.08 0.03 0.00 0.00 0.00 0.00 36.38 35.26 2hgx s VAL 745 CO 0.00 0.37 0.09 -0.47 0.00 0.00 0.00 175.10 175.10 2hgx s TYR 746 N 0.94 3.22 0.35 5.22 5.04 0.11 -0.78 117.35 131.45 2hgx s TYR 746 Ca -0.09 -1.32 -0.07 0.00 -2.44 0.00 0.00 57.07 53.15 2hgx s TYR 746 Cb -0.15 -2.26 0.02 0.00 0.35 0.00 0.00 41.96 39.91 2hgx s TYR 746 CO 0.00 -0.69 0.56 1.67 -1.34 0.00 0.00 175.55 175.75 2hgx s TRP 747 N 1.42 0.76 -0.32 4.97 -2.14 -0.66 -0.93 118.94 122.04 2hgx s TRP 747 Ca -0.01 -1.12 -0.12 0.00 2.66 0.00 0.00 56.10 57.52 2hgx s TRP 747 Cb -0.19 0.18 -0.02 0.00 -3.10 0.00 0.00 33.47 30.34 2hgx s TRP 747 CO 0.02 -1.24 0.21 0.99 -2.66 0.00 0.00 176.95 174.27 2hgx s THR 748 N -2.95 5.10 1.01 0.66 2.01 -0.57 -0.67 115.64 120.23 2hgx s THR 748 Ca 0.26 -0.19 -0.12 0.00 0.31 0.00 0.00 61.69 61.95 2hgx s THR 748 Cb -0.02 -3.57 0.19 0.00 0.01 0.00 0.00 72.50 69.11 2hgx s THR 748 CO 0.17 0.07 1.08 -2.28 -0.69 0.00 0.00 174.62 172.97 2hgx s HIS 749 N 1.70 2.02 0.45 4.92 2.46 -0.23 -4.82 115.29 121.79 2hgx s HIS 749 Ca 0.06 1.07 0.37 0.00 0.47 0.00 0.00 55.06 57.03 2hgx s HIS 749 Cb -0.17 -3.22 2.01 0.00 -0.13 0.00 0.00 32.58 31.06 2hgx s HIS 749 CO 0.09 -2.96 2.13 0.93 -2.47 0.00 0.00 174.74 172.46 2hgx h GLU 750 N -1.95 0.00 -0.38 2.88 5.08 -1.98 -0.03 114.58 118.20 2hgx h GLU 750 Ca -0.55 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 2hgx h GLU 750 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2hgx h GLU 750 CO 0.56 0.00 0.00 -0.40 -1.00 0.00 0.00 179.01 178.17 2hgx n ASP 751 N -2.83 2.65 0.00 1.42 5.68 -1.26 -4.94 116.55 117.26 2hgx n ASP 751 Ca -0.02 -1.91 0.00 0.00 -0.50 0.00 0.00 54.79 52.35 2hgx n ASP 751 Cb 0.10 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 2hgx n ASP 751 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hgx n GLY 752 N 1.32 0.88 3.76 6.12 0.00 -0.03 -5.04 105.19 112.20 2hgx n GLY 752 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2hgx n GLY 752 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hgx s VAL 753 N -3.48 5.26 -0.01 1.61 1.01 -1.26 -4.79 120.40 118.74 2hgx s VAL 753 Ca 0.00 0.62 -0.30 0.00 0.00 0.00 0.00 61.98 62.30 2hgx s VAL 753 Cb 0.00 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 2hgx s VAL 753 CO 0.00 0.43 1.35 -0.22 0.00 0.00 0.00 175.10 176.66 2hgx s LEU 754 N 0.10 4.31 0.12 3.92 2.96 -1.26 -1.06 118.68 127.77 2hgx s LEU 754 Ca 0.19 2.05 -0.07 0.00 -0.22 0.00 0.00 54.13 56.08 2hgx s LEU 754 Cb -0.14 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 42.98 2hgx s LEU 754 CO 0.06 -0.68 0.18 -1.83 -1.32 0.00 0.00 176.35 172.76 2hgx s GLU 755 N 2.31 0.95 -0.18 1.98 -1.05 0.16 -2.33 118.70 120.54 2hgx s GLU 755 Ca 0.62 -1.13 -0.00 0.00 -0.15 0.00 0.00 54.97 54.30 2hgx s GLU 755 Cb -0.30 0.33 0.01 0.00 -0.44 0.00 0.00 34.13 33.73 2hgx s GLU 755 CO 0.26 -0.31 -0.15 -1.17 0.95 0.00 0.00 175.26 174.83 2hgx s LEU 756 N -2.93 2.40 0.07 1.83 2.96 -0.53 -1.66 118.68 120.83 2hgx s LEU 756 Ca 0.13 -0.54 0.08 0.00 -0.22 0.00 0.00 54.13 53.58 2hgx s LEU 756 Cb 0.05 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 2hgx s LEU 756 CO -0.05 0.02 -0.21 0.54 -1.32 0.00 0.00 176.35 175.33 2hgx s VAL 757 N 1.18 1.75 -0.00 1.68 0.11 0.04 -1.99 120.40 123.17 2hgx s VAL 757 Ca 0.02 -1.39 -0.05 0.00 -2.93 0.00 0.00 61.98 57.62 2hgx s VAL 757 Cb -0.14 -1.55 -0.00 0.00 -1.53 0.00 0.00 36.38 33.16 2hgx s VAL 757 CO -0.06 0.09 0.10 0.28 -3.33 0.00 0.00 175.10 172.18 2hgx s THR 758 N -0.97 0.08 0.50 5.04 -1.32 -1.07 -1.03 115.64 116.86 2hgx s THR 758 Ca 0.08 -0.63 -0.23 0.00 -1.21 0.00 0.00 61.69 59.70 2hgx s THR 758 Cb -0.09 -0.35 -0.06 0.00 -1.51 0.00 0.00 72.50 70.48 2hgx s THR 758 CO 0.03 -0.35 1.39 -2.84 -2.21 0.00 0.00 174.62 170.64 2hgx s PRO 759 N -1.17 3.38 0.75 7.08 0.02 -1.24 -1.28 135.00 142.55 2hgx s PRO 759 Ca -0.13 2.31 -0.11 0.00 0.02 0.00 0.00 61.00 63.09 2hgx s PRO 759 Cb -0.07 -2.43 0.04 0.00 0.02 0.00 0.00 34.50 32.06 2hgx s PRO 759 CO 0.01 -1.02 1.08 -1.25 -0.33 0.00 0.00 177.00 175.49 2hgx s PRO 760 N -2.71 2.46 -1.35 5.54 0.04 -1.26 -4.73 135.00 132.99 2hgx s PRO 760 Ca 0.67 0.77 -0.16 0.00 0.04 0.00 0.00 61.00 62.31 2hgx s PRO 760 Cb -0.42 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.24 2hgx s PRO 760 CO 0.51 -1.39 1.91 1.28 0.04 0.00 0.00 177.00 179.36 2hgx n LEU 761 N -3.29 5.66 -0.75 -3.56 4.77 -1.26 -4.66 117.00 113.91 2hgx n LEU 761 Ca 0.07 -4.02 0.12 0.00 -0.03 0.00 0.00 56.01 52.15 2hgx n LEU 761 Cb 0.55 -1.71 0.22 0.00 -2.33 0.00 0.00 43.42 40.15 2hgx n LEU 761 CO 0.56 0.53 0.66 -0.46 -1.33 0.00 0.00 177.39 177.35 2hgx n ASN 762 N 7.44 2.40 0.00 -1.43 0.23 -1.26 -4.96 115.26 117.68 2hgx n ASN 762 Ca 0.50 -1.76 0.00 0.00 -0.53 0.00 0.00 54.58 52.78 2hgx n ASN 762 Cb 0.43 0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 2hgx n ASN 762 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2hgx n GLY 763 N 1.31 2.15 0.00 4.83 0.00 -1.26 -4.91 105.19 107.30 2hgx n GLY 763 Ca 0.15 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.26 2hgx n GLY 763 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hgx n VAL 764 N -0.04 0.00 -4.20 1.61 0.31 -1.26 -3.34 118.33 111.42 2hgx n VAL 764 Ca 0.00 -0.05 -0.34 0.00 -0.01 0.00 0.00 64.34 63.94 2hgx n VAL 764 Cb 0.00 0.95 -0.11 0.00 -0.91 0.00 0.00 33.84 33.78 2hgx n VAL 764 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2hgx s ILE 765 N -2.91 4.39 -0.12 2.52 -1.09 -1.26 -4.67 121.20 118.06 2hgx s ILE 765 Ca 0.07 -0.18 -0.29 0.00 -2.23 0.00 0.00 60.65 58.02 2hgx s ILE 765 Cb 0.15 -2.95 -0.01 0.00 -1.58 0.00 0.00 42.46 38.07 2hgx s ILE 765 CO 0.82 0.49 0.98 -0.22 -1.23 0.00 0.00 174.94 175.77 2hgx s LEU 766 N 0.24 4.23 -1.04 2.97 1.98 -1.25 -4.39 118.68 121.42 2hgx s LEU 766 Ca 0.01 1.46 -0.23 0.00 -2.89 0.00 0.00 54.13 52.48 2hgx s LEU 766 Cb -0.13 -3.50 -0.03 0.00 0.66 0.00 0.00 46.19 43.19 2hgx s LEU 766 CO 0.01 -0.45 1.84 -2.16 -1.89 0.00 0.00 176.35 173.71 2hgx s PRO 767 N 2.08 2.84 0.48 0.98 0.04 -1.26 -4.92 135.00 135.24 2hgx s PRO 767 Ca 0.46 -0.83 -0.23 0.00 0.04 0.00 0.00 61.00 60.45 2hgx s PRO 767 Cb -0.18 -5.21 -0.07 0.00 0.04 0.00 0.00 34.50 29.09 2hgx s PRO 767 CO 0.16 -3.26 1.27 0.20 0.04 0.00 0.00 177.00 175.42 2hgx s GLY 768 N 6.76 2.85 0.13 0.56 0.00 -1.26 -4.95 107.32 111.41 2hgx s GLY 768 Ca 0.64 1.16 -0.09 0.00 0.00 0.00 0.00 44.72 46.43 2hgx s GLY 768 CO 0.02 1.67 1.37 -2.08 0.00 0.00 0.00 173.10 174.09 2hgx h VAL 769 N 1.83 1.30 -0.19 1.40 2.07 -1.96 -2.24 116.25 118.46 2hgx h VAL 769 Ca -0.50 -1.93 -0.15 0.00 0.82 0.00 0.00 66.70 64.93 2hgx h VAL 769 Cb 1.27 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 2hgx h VAL 769 CO 0.59 0.61 -0.53 0.58 0.02 0.00 0.00 177.57 178.85 2hgx h VAL 770 N 0.52 1.32 -0.24 2.57 2.07 -1.92 -1.48 116.25 119.08 2hgx h VAL 770 Ca -0.03 -1.76 0.02 0.00 0.82 0.00 0.00 66.70 65.75 2hgx h VAL 770 Cb 1.31 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.80 2hgx h VAL 770 CO 0.14 0.55 0.10 -0.09 0.02 0.00 0.00 177.57 178.29 2hgx h ARG 771 N 0.42 0.22 -0.34 1.57 2.43 -1.86 0.29 114.38 117.10 2hgx h ARG 771 Ca 0.01 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2hgx h ARG 771 Cb 1.06 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 2hgx h ARG 771 CO 0.10 0.15 -0.14 0.37 -1.51 0.00 0.00 179.97 178.94 2hgx h GLN 772 N 0.23 0.60 -0.41 0.20 5.75 -1.28 -2.29 115.11 117.91 2hgx h GLN 772 Ca 0.10 -0.19 -0.10 0.00 -0.15 0.00 0.00 58.65 58.31 2hgx h GLN 772 Cb 0.05 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 2hgx h GLN 772 CO -0.09 0.72 -0.17 0.77 -2.65 0.00 0.00 178.83 177.42 2hgx h SER 773 N 0.55 0.78 -0.00 -0.69 0.02 -0.40 -0.22 113.55 113.59 2hgx h SER 773 Ca 0.10 -0.26 -0.16 0.00 -0.84 0.00 0.00 61.79 60.63 2hgx h SER 773 Cb 0.56 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 2hgx h SER 773 CO 0.04 0.95 -0.52 -0.07 -1.14 0.00 0.00 176.83 176.08 2hgx h LEU 774 N 0.69 0.63 -0.36 5.07 3.38 -0.74 -0.77 115.31 123.22 2hgx h LEU 774 Ca 0.11 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 2hgx h LEU 774 Cb 0.66 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2hgx h LEU 774 CO 0.05 1.04 -0.07 -0.07 0.09 0.00 0.00 178.44 179.47 2hgx h LEU 775 N 0.45 0.69 -0.62 1.67 3.38 -1.15 -0.98 115.31 118.75 2hgx h LEU 775 Ca 0.01 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 2hgx h LEU 775 Cb 1.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 2hgx h LEU 775 CO 0.10 0.88 0.07 0.44 0.09 0.00 0.00 178.44 180.03 2hgx h ASP 776 N 0.48 1.00 -0.16 -0.43 3.45 -0.94 -1.38 116.42 118.44 2hgx h ASP 776 Ca 0.09 -0.27 -0.04 0.00 0.43 0.00 0.00 57.03 57.24 2hgx h ASP 776 Cb 0.57 -0.27 -0.00 0.00 -0.56 0.00 0.00 39.33 39.07 2hgx h ASP 776 CO 0.03 1.02 -0.06 -0.03 -1.57 0.00 0.00 179.24 178.64 2hgx h MET 777 N 0.94 0.32 -0.26 3.56 4.05 -1.07 -2.25 114.93 120.23 2hgx h MET 777 Ca 0.18 -0.13 -0.09 0.00 -0.28 0.00 0.00 59.70 59.38 2hgx h MET 777 Cb 0.46 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 2hgx h MET 777 CO 0.02 0.62 -0.22 0.00 0.23 0.00 0.00 176.91 177.56 2hgx h ALA 778 N 0.70 1.16 -0.04 0.39 0.00 -1.13 -2.62 119.26 117.71 2hgx h ALA 778 Ca 0.04 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 2hgx h ALA 778 Cb 0.51 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2hgx h ALA 778 CO 0.02 0.53 -0.61 0.37 0.00 0.00 0.00 179.25 179.56 2hgx h GLN 779 N 0.42 0.16 -0.13 0.00 4.15 -1.22 -2.96 115.11 115.53 2hgx h GLN 779 Ca 0.07 -0.11 -0.15 0.00 0.77 0.00 0.00 58.65 59.22 2hgx h GLN 779 Cb 0.61 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 2hgx h GLN 779 CO 0.04 0.72 -0.58 1.15 -1.93 0.00 0.00 178.83 178.23 2hgx h THR 780 N 0.12 1.35 -0.47 2.39 2.02 -1.14 -3.14 112.91 114.03 2hgx h THR 780 Ca -0.01 -1.88 -0.08 0.00 0.77 0.00 0.00 66.41 65.21 2hgx h THR 780 Cb 1.10 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 69.38 2hgx h THR 780 CO 0.09 0.57 -0.03 -0.50 0.37 0.00 0.00 175.52 176.02 2hgx h TRP 781 N 0.31 0.94 -1.66 3.16 6.55 -1.40 -3.47 115.95 120.38 2hgx h TRP 781 Ca -0.00 -0.17 -0.32 0.00 0.95 0.00 0.00 58.89 59.34 2hgx h TRP 781 Cb 1.11 -0.24 -0.06 0.00 -0.86 0.00 0.00 29.16 29.10 2hgx h TRP 781 CO 0.03 0.90 -0.36 0.41 -1.05 0.00 0.00 178.44 178.38 2hgx n GLY 782 N -0.33 0.47 0.10 1.49 0.00 -1.13 -4.91 105.19 100.89 2hgx n GLY 782 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2hgx n GLY 782 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2hgx h GLU 783 N 0.00 0.00 -4.12 1.61 5.08 -1.91 -3.48 114.58 111.76 2hgx h GLU 783 Ca -0.36 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.86 2hgx h GLU 783 Cb 1.18 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.31 2hgx h GLU 783 CO 0.46 0.35 -0.38 -0.59 -1.00 0.00 0.00 179.01 177.85 2hgx s PHE 784 N -2.93 0.74 0.17 4.33 -0.71 -1.26 -5.07 117.98 113.25 2hgx s PHE 784 Ca -0.01 -1.04 -0.30 0.00 -1.04 0.00 0.00 56.93 54.54 2hgx s PHE 784 Cb 0.08 -0.19 -0.08 0.00 -1.21 0.00 0.00 43.02 41.63 2hgx s PHE 784 CO 0.80 -0.79 1.14 0.50 -1.34 0.00 0.00 175.22 175.53 2hgx s ARG 785 N -4.08 4.54 -0.20 1.99 3.52 -0.98 -4.92 118.95 118.81 2hgx s ARG 785 Ca 0.29 1.78 0.00 0.00 -0.13 0.00 0.00 55.73 57.68 2hgx s ARG 785 Cb 0.03 -3.27 0.02 0.00 -1.56 0.00 0.00 34.95 30.18 2hgx s ARG 785 CO 0.09 -0.01 -0.15 0.08 -0.81 0.00 0.00 175.30 174.49 2hgx s VAL 786 N -0.07 2.32 0.03 7.11 1.01 -1.26 -1.45 120.40 128.09 2hgx s VAL 786 Ca 0.51 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.50 2hgx s VAL 786 Cb -0.31 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 2hgx s VAL 786 CO 0.35 0.41 -0.04 0.54 0.00 0.00 0.00 175.10 176.37 2hgx s VAL 787 N 1.29 0.20 -0.37 2.92 0.11 -0.84 -5.01 120.40 118.70 2hgx s VAL 787 Ca 0.03 -1.18 -0.06 0.00 -2.93 0.00 0.00 61.98 57.84 2hgx s VAL 787 Cb -0.14 -0.65 0.07 0.00 -1.53 0.00 0.00 36.38 34.13 2hgx s VAL 787 CO -0.10 -0.62 0.16 -1.61 -3.33 0.00 0.00 175.10 169.60 2hgx s GLU 788 N -2.15 2.43 -0.00 1.54 2.02 -1.26 -2.61 118.70 118.67 2hgx s GLU 788 Ca -0.09 -1.44 -0.14 0.00 0.02 0.00 0.00 54.97 53.32 2hgx s GLU 788 Cb -0.05 -3.54 0.02 0.00 0.10 0.00 0.00 34.13 30.66 2hgx s GLU 788 CO -0.03 -0.85 0.29 0.50 0.02 0.00 0.00 175.26 175.19 2hgx s ARG 789 N 1.32 0.69 0.25 1.61 3.52 -0.40 -4.60 118.95 121.33 2hgx s ARG 789 Ca 0.02 -0.28 -0.30 0.00 -0.13 0.00 0.00 55.73 55.03 2hgx s ARG 789 Cb -0.21 0.30 -0.11 0.00 -1.56 0.00 0.00 34.95 33.37 2hgx s ARG 789 CO 0.00 -0.19 1.54 0.99 -0.81 0.00 0.00 175.30 176.83 2hgx s THR 790 N -1.60 2.38 -0.16 4.11 2.01 -1.26 -3.70 115.64 117.42 2hgx s THR 790 Ca -0.12 0.31 0.01 0.00 0.31 0.00 0.00 61.69 62.20 2hgx s THR 790 Cb -0.04 -3.20 0.01 0.00 0.01 0.00 0.00 72.50 69.28 2hgx s THR 790 CO 0.02 0.04 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.19 2hgx s ILE 791 N 0.27 2.34 0.30 1.82 1.01 -1.26 -5.03 121.20 120.65 2hgx s ILE 791 Ca 0.64 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 60.50 2hgx s ILE 791 Cb -0.45 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 2hgx s ILE 791 CO 0.42 0.53 0.21 0.42 0.00 0.00 0.00 174.94 176.52 2hgx s THR 792 N 1.02 3.77 0.36 2.92 -4.23 -1.26 -0.32 115.64 117.90 2hgx s THR 792 Ca -0.02 -1.48 0.07 0.00 -1.18 0.00 0.00 61.69 59.09 2hgx s THR 792 Cb -0.15 -3.20 0.14 0.00 1.34 0.00 0.00 72.50 70.64 2hgx s THR 792 CO -0.05 -0.26 1.87 0.24 -0.54 0.00 0.00 174.62 175.89 2hgx h MET 793 N 1.43 0.34 -0.01 3.99 2.86 -1.49 -2.08 114.93 119.98 2hgx h MET 793 Ca -0.46 -0.09 -0.13 0.00 -2.06 0.00 0.00 59.70 56.97 2hgx h MET 793 Cb 1.25 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.85 2hgx h MET 793 CO 0.60 0.47 -0.61 0.87 1.06 0.00 0.00 176.91 179.30 2hgx h LYS 794 N 0.32 0.03 -0.26 1.72 1.57 -1.86 0.18 116.57 118.26 2hgx h LYS 794 Ca 0.06 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.65 2hgx h LYS 794 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2hgx h LYS 794 CO 0.02 0.64 -0.49 1.96 -0.57 0.00 0.00 179.45 181.01 2hgx h GLN 795 N 0.02 0.80 -0.41 3.15 4.20 -1.88 -1.60 115.11 119.39 2hgx h GLN 795 Ca -0.01 -0.50 -0.12 0.00 0.06 0.00 0.00 58.65 58.08 2hgx h GLN 795 Cb 1.09 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 2hgx h GLN 795 CO 0.08 1.13 -0.20 1.25 -0.67 0.00 0.00 178.83 180.42 2hgx h LEU 796 N 0.55 0.89 -0.81 1.46 5.85 -1.23 -1.92 115.31 120.10 2hgx h LEU 796 Ca 0.01 -0.40 -0.04 0.00 0.84 0.00 0.00 57.88 58.29 2hgx h LEU 796 Cb 1.09 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.84 2hgx h LEU 796 CO 0.11 1.10 0.37 -0.07 -0.34 0.00 0.00 178.44 179.60 2hgx h LEU 797 N 0.68 1.09 -0.49 2.25 3.38 -0.91 -0.56 115.31 120.75 2hgx h LEU 797 Ca 0.09 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 2hgx h LEU 797 Cb 0.76 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2hgx h LEU 797 CO 0.06 0.94 -0.24 -0.09 0.09 0.00 0.00 178.44 179.20 2hgx h ARG 798 N 1.17 0.99 -0.08 1.13 2.43 -1.20 -2.39 114.38 116.43 2hgx h ARG 798 Ca 0.28 -0.43 -0.12 0.00 -0.81 0.00 0.00 59.98 58.89 2hgx h ARG 798 Cb 0.16 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2hgx h ARG 798 CO -0.03 1.11 -0.49 0.00 -1.51 0.00 0.00 179.97 179.05 2hgx h ALA 799 N 0.87 1.03 -0.28 2.80 0.00 -1.04 -2.44 119.26 120.20 2hgx h ALA 799 Ca 0.10 -0.46 -0.18 0.00 0.00 0.00 0.00 54.91 54.37 2hgx h ALA 799 Cb 0.82 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2hgx h ALA 799 CO 0.07 0.64 -0.53 -0.07 0.00 0.00 0.00 179.25 179.37 2hgx h LEU 800 N 0.17 0.95 -0.84 0.00 3.38 -0.97 0.24 115.31 118.23 2hgx h LEU 800 Ca 0.01 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 2hgx h LEU 800 Cb 0.93 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2hgx h LEU 800 CO 0.07 1.30 -0.07 1.05 0.09 0.00 0.00 178.44 180.89 2hgx h GLU 801 N 0.62 0.00 -0.05 1.13 4.11 -1.38 -2.80 114.58 116.22 2hgx h GLU 801 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2hgx h GLU 801 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2hgx h GLU 801 CO 0.12 0.07 0.00 0.39 0.07 0.00 0.00 179.01 179.66 2hgx n GLU 802 N -3.15 2.15 -2.10 1.06 1.02 -0.92 -4.97 120.64 113.72 2hgx n GLU 802 Ca 0.02 -1.68 -0.16 0.00 -0.02 0.00 0.00 57.16 55.32 2hgx n GLU 802 Cb 0.43 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.36 2hgx n GLU 802 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hgx n GLY 803 N 1.31 0.17 0.09 0.62 0.00 -0.68 -4.93 105.19 101.76 2hgx n GLY 803 Ca 0.16 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.07 2hgx n GLY 803 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2hgx h ARG 804 N 0.00 0.00 -6.10 1.61 3.08 -0.82 -3.46 114.38 108.68 2hgx h ARG 804 Ca -0.37 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.11 2hgx h ARG 804 Cb 1.22 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.22 2hgx h ARG 804 CO 0.46 0.00 0.44 0.08 -1.07 0.00 0.00 179.97 179.88 2hgx s VAL 805 N -3.19 4.85 -0.21 2.04 1.01 -1.22 -1.51 120.40 122.17 2hgx s VAL 805 Ca 0.06 1.81 -0.16 0.00 0.00 0.00 0.00 61.98 63.69 2hgx s VAL 805 Cb 0.12 -4.21 -0.08 0.00 0.00 0.00 0.00 36.38 32.21 2hgx s VAL 805 CO 0.71 0.04 -0.31 0.54 0.00 0.00 0.00 175.10 176.09 2hgx n ARG 806 N 4.96 0.54 -3.87 2.72 1.74 -0.11 -4.72 116.66 117.92 2hgx n ARG 806 Ca 0.06 0.28 -0.11 0.00 -0.77 0.00 0.00 57.85 57.30 2hgx n ARG 806 Cb 0.49 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 30.33 2hgx n ARG 806 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2hgx s GLU 807 N -2.69 0.31 -0.04 5.56 2.02 -0.67 -3.49 118.70 119.70 2hgx s GLU 807 Ca -0.31 -0.21 0.02 0.00 0.02 0.00 0.00 54.97 54.50 2hgx s GLU 807 Cb 0.07 0.13 0.01 0.00 0.10 0.00 0.00 34.13 34.44 2hgx s GLU 807 CO 0.44 -0.06 -0.09 0.08 0.02 0.00 0.00 175.26 175.64 2hgx s VAL 808 N -0.80 0.86 0.15 2.63 1.01 -1.26 0.07 120.40 123.05 2hgx s VAL 808 Ca -0.09 -0.37 -0.15 0.00 0.00 0.00 0.00 61.98 61.38 2hgx s VAL 808 Cb -0.05 -0.78 0.02 0.00 0.00 0.00 0.00 36.38 35.56 2hgx s VAL 808 CO 0.01 0.28 0.40 0.72 0.00 0.00 0.00 175.10 176.50 2hgx s PHE 809 N 0.42 -0.03 0.12 5.22 -0.71 -0.58 -1.18 117.98 121.25 2hgx s PHE 809 Ca -0.07 -0.31 0.05 0.00 -1.04 0.00 0.00 56.93 55.56 2hgx s PHE 809 Cb -0.12 0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.87 2hgx s PHE 809 CO 0.01 -0.76 0.02 0.20 -1.34 0.00 0.00 175.22 173.35 2hgx s GLY 810 N -2.86 1.84 0.03 1.99 0.00 0.40 -0.41 107.32 108.31 2hgx s GLY 810 Ca 0.08 -1.20 0.05 0.00 0.00 0.00 0.00 44.72 43.66 2hgx s GLY 810 CO -0.07 -1.19 -0.16 -1.35 0.00 0.00 0.00 173.10 170.33 2hgx s SER 811 N -2.59 1.89 0.00 1.64 1.04 0.17 -0.63 113.70 115.22 2hgx s SER 811 Ca 0.27 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.27 2hgx s SER 811 Cb -0.11 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.86 2hgx s SER 811 CO 0.19 0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.12 2hgx n GLY 812 N 2.06 0.89 0.29 7.32 0.00 -1.01 -1.19 105.19 113.55 2hgx n GLY 812 Ca -0.17 -0.80 -0.07 0.00 0.00 0.00 0.00 46.02 44.98 2hgx n GLY 812 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2hgx h THR 813 N 0.21 1.24 -0.09 2.61 1.35 -1.91 0.43 112.91 116.75 2hgx h THR 813 Ca 0.00 -0.73 -0.01 0.00 -0.55 0.00 0.00 66.41 65.12 2hgx h THR 813 Cb 0.00 0.47 -0.00 0.00 -1.73 0.00 0.00 68.15 66.89 2hgx h THR 813 CO 0.00 0.29 0.01 0.00 -0.25 0.00 0.00 175.52 175.57 2hgx h ALA 814 N 1.12 0.12 0.00 6.62 0.00 -1.96 -3.33 119.26 121.83 2hgx h ALA 814 Ca 0.22 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2hgx h ALA 814 Cb 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2hgx h ALA 814 CO -0.02 -0.21 -1.33 0.00 0.00 0.00 0.00 179.25 177.69 2hgx n ALA 815 N -2.28 2.33 -0.46 0.00 0.00 -1.23 -4.69 120.51 114.18 2hgx n ALA 815 Ca -0.06 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2hgx n ALA 815 Cb 0.19 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2hgx n ALA 815 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2hgx n GLN 816 N -2.69 0.00 -3.79 0.00 1.13 0.15 -4.38 117.38 107.80 2hgx n GLN 816 Ca -0.05 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.75 2hgx n GLN 816 Cb 0.67 0.00 -0.17 0.00 0.11 0.00 0.00 30.24 30.85 2hgx n GLN 816 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 2hgx s VAL 817 N 0.00 0.60 -0.22 5.09 -7.23 -1.26 -2.41 120.40 114.96 2hgx s VAL 817 Ca 0.00 -0.27 -0.00 0.00 -1.81 0.00 0.00 61.98 59.89 2hgx s VAL 817 Cb 0.00 -0.87 0.02 0.00 0.56 0.00 0.00 36.38 36.09 2hgx s VAL 817 CO 0.00 0.08 -0.12 0.00 -0.31 0.00 0.00 175.10 174.75 2hgx s PRO 819 N 1.31 3.26 -0.13 0.00 0.02 -1.26 -0.45 135.00 137.75 2hgx s PRO 819 Ca 0.02 1.77 0.02 0.00 0.02 0.00 0.00 61.00 62.83 2hgx s PRO 819 Cb -0.15 -2.06 0.01 0.00 0.02 0.00 0.00 34.50 32.32 2hgx s PRO 819 CO -0.08 -0.97 -0.18 0.08 -0.33 0.00 0.00 177.00 175.53 2hgx s VAL 820 N -1.62 1.77 -0.10 3.83 1.01 -0.32 -1.13 120.40 123.83 2hgx s VAL 820 Ca 0.73 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.98 2hgx s VAL 820 Cb -0.29 -1.59 -0.10 0.00 0.00 0.00 0.00 36.38 34.40 2hgx s VAL 820 CO 0.32 0.49 0.20 0.00 0.00 0.00 0.00 175.10 176.11 2hgx n HIS 821 N 4.18 0.00 -3.79 5.22 1.44 -1.05 -4.46 115.22 116.75 2hgx n HIS 821 Ca -0.19 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.39 2hgx n HIS 821 Cb 0.51 -0.12 -0.11 0.00 0.12 0.00 0.00 29.99 30.39 2hgx n HIS 821 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 2hgx s ARG 822 N -2.28 0.32 -0.09 -1.40 3.52 -1.25 -0.43 118.95 117.33 2hgx s ARG 822 Ca -0.01 0.25 -0.00 0.00 -0.13 0.00 0.00 55.73 55.84 2hgx s ARG 822 Cb 0.05 0.15 0.02 0.00 -1.56 0.00 0.00 34.95 33.61 2hgx s ARG 822 CO 0.30 -0.05 -0.05 0.42 -0.81 0.00 0.00 175.30 175.11 2hgx s ILE 823 N -0.06 0.77 -0.49 4.11 1.01 -0.44 -0.45 121.20 125.65 2hgx s ILE 823 Ca -0.02 -0.15 -0.20 0.00 0.00 0.00 0.00 60.65 60.28 2hgx s ILE 823 Cb -0.02 -0.82 0.05 0.00 0.01 0.00 0.00 42.46 41.67 2hgx s ILE 823 CO 0.01 0.32 0.64 -0.22 0.00 0.00 0.00 174.94 175.68 2hgx s LEU 824 N 1.60 4.83 -0.06 2.97 2.96 0.13 -0.57 118.68 130.54 2hgx s LEU 824 Ca 0.01 -0.77 0.01 0.00 -0.22 0.00 0.00 54.13 53.16 2hgx s LEU 824 Cb -0.13 -2.51 0.02 0.00 0.50 0.00 0.00 46.19 44.07 2hgx s LEU 824 CO -0.05 -0.87 -0.07 -0.47 -1.32 0.00 0.00 176.35 173.57 2hgx s TYR 825 N 2.71 1.02 -1.48 5.38 6.14 -0.32 -1.03 117.35 129.77 2hgx s TYR 825 Ca 0.17 -0.35 -0.09 0.00 0.64 0.00 0.00 57.07 57.44 2hgx s TYR 825 Cb -0.18 -0.85 0.06 0.00 0.42 0.00 0.00 41.96 41.42 2hgx s TYR 825 CO 0.14 -0.26 0.82 1.63 0.64 0.00 0.00 175.55 178.52 2hgx n LYS 826 N 4.14 -4.81 -0.95 4.97 5.02 -1.26 -1.63 118.16 123.63 2hgx n LYS 826 Ca -0.22 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 2hgx n LYS 826 Cb 0.51 -5.24 0.00 0.00 -0.02 0.00 0.00 35.03 30.28 2hgx n LYS 826 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2hgx n ASP 827 N -2.89 -4.23 -4.50 4.39 10.43 -1.26 -4.99 116.55 113.49 2hgx n ASP 827 Ca -0.09 0.00 -0.32 0.00 2.57 0.00 0.00 54.79 56.95 2hgx n ASP 827 Cb 0.58 -2.36 -0.12 0.00 1.84 0.00 0.00 41.12 41.05 2hgx n ASP 827 CO 0.00 0.00 0.00 -0.13 -1.07 0.00 0.00 177.20 176.00 2hgx s ARG 828 N -1.22 2.44 -0.32 -1.24 3.00 -0.64 -5.11 118.95 115.86 2hgx s ARG 828 Ca 0.00 -0.74 -0.19 0.00 0.00 0.00 0.00 55.73 54.79 2hgx s ARG 828 Cb 0.00 -2.37 -0.01 0.00 0.00 0.00 0.00 34.95 32.57 2hgx s ARG 828 CO 0.00 0.61 0.58 -0.80 0.00 0.00 0.00 175.30 175.69 2hgx s ASN 829 N -0.98 6.43 -0.29 0.23 0.01 -1.26 -1.17 114.94 117.90 2hgx s ASN 829 Ca 0.13 0.28 -0.12 0.00 -0.71 0.00 0.00 52.86 52.43 2hgx s ASN 829 Cb -0.11 -2.30 -0.04 0.00 0.41 0.00 0.00 41.25 39.21 2hgx s ASN 829 CO 0.03 -0.47 0.25 -0.76 -1.51 0.00 0.00 177.10 174.64 2hgx s LEU 830 N 2.52 4.10 -0.25 0.60 1.43 0.27 -4.97 118.68 122.39 2hgx s LEU 830 Ca 0.23 0.00 -0.17 0.00 -1.03 0.00 0.00 54.13 53.16 2hgx s LEU 830 Cb -0.15 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 2hgx s LEU 830 CO 0.12 -0.12 0.47 -1.00 0.23 0.00 0.00 176.35 176.05 2hgx s HIS 831 N 1.85 3.28 -0.28 0.29 3.76 -1.26 -1.32 115.29 121.60 2hgx s HIS 831 Ca 0.09 0.59 -0.11 0.00 -0.15 0.00 0.00 55.06 55.49 2hgx s HIS 831 Cb -0.16 -2.66 -0.04 0.00 1.11 0.00 0.00 32.58 30.83 2hgx s HIS 831 CO 0.11 -0.23 0.18 0.42 -0.85 0.00 0.00 174.74 174.37 2hgx s ILE 832 N 2.09 5.11 0.00 0.60 -1.09 0.42 -4.99 121.20 123.35 2hgx s ILE 832 Ca 0.20 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.66 2hgx s ILE 832 Cb -0.16 -3.46 0.00 0.00 -1.58 0.00 0.00 42.46 37.26 2hgx s ILE 832 CO 0.09 0.22 1.26 -0.81 -1.23 0.00 0.00 174.94 174.48 2hgx n PRO 833 N 5.04 0.74 0.03 2.79 -0.04 -1.26 -4.49 135.00 137.81 2hgx n PRO 833 Ca -0.14 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.21 2hgx n PRO 833 Cb 0.51 -1.13 -0.05 0.00 -0.04 0.00 0.00 33.50 32.79 2hgx n PRO 833 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2hgx h THR 834 N 0.97 0.78 0.00 0.52 2.02 -1.78 -2.53 112.91 112.90 2hgx h THR 834 Ca 0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 2hgx h THR 834 Cb 0.74 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 2hgx h THR 834 CO 0.00 0.00 -0.52 0.24 0.37 0.00 0.00 175.52 175.61 2hgx h MET 835 N -0.12 0.00 0.00 6.66 2.86 -1.87 -2.77 114.93 119.69 2hgx h MET 835 Ca 0.04 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2hgx h MET 835 Cb 0.18 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 2hgx h MET 835 CO -0.11 0.52 -0.11 0.93 1.06 0.00 0.00 176.91 179.20 2hgx h GLU 836 N 0.00 0.00 -0.69 1.72 3.07 -1.86 -2.79 114.58 114.02 2hgx h GLU 836 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 2hgx h GLU 836 Cb 0.93 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.84 2hgx h GLU 836 CO 0.07 0.11 0.00 0.09 -1.40 0.00 0.00 179.01 177.88 2hgx n ASN 837 N -3.21 4.02 0.00 1.42 3.02 -0.97 -4.96 115.26 114.59 2hgx n ASN 837 Ca 0.01 -2.55 0.00 0.00 -0.03 0.00 0.00 54.58 52.01 2hgx n ASN 837 Cb 0.41 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 2hgx n ASN 837 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hgx n GLY 838 N 0.53 2.07 3.55 7.41 0.00 -1.05 -1.59 105.19 116.11 2hgx n GLY 838 Ca 0.18 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 2hgx n GLY 838 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hgx s PRO 839 N 0.00 3.26 0.21 1.61 0.04 -1.25 -4.89 135.00 133.98 2hgx s PRO 839 Ca 0.00 -0.41 -0.18 0.00 0.04 0.00 0.00 61.00 60.45 2hgx s PRO 839 Cb 0.00 -4.43 0.19 0.00 0.04 0.00 0.00 34.50 30.30 2hgx s PRO 839 CO 0.00 -2.18 1.58 1.49 0.04 0.00 0.00 177.00 177.93 2hgx h GLU 840 N 10.06 -0.09 -0.25 4.56 4.81 -1.58 0.21 114.58 132.29 2hgx h GLU 840 Ca -0.18 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 58.95 2hgx h GLU 840 Cb 1.04 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 2hgx h GLU 840 CO 1.31 -0.06 -0.28 1.25 -0.73 0.00 0.00 179.01 180.51 2hgx h LEU 841 N -0.09 0.68 -0.56 1.64 5.85 -1.98 -2.01 115.31 118.84 2hgx h LEU 841 Ca 0.29 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2hgx h LEU 841 Cb 0.57 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2hgx h LEU 841 CO -0.79 1.02 0.35 0.40 -0.34 0.00 0.00 178.44 179.09 2hgx h ILE 842 N 0.34 1.16 -0.43 4.05 2.04 -1.90 -0.38 117.51 122.39 2hgx h ILE 842 Ca 0.04 -0.32 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 2hgx h ILE 842 Cb 0.84 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2hgx h ILE 842 CO 0.07 0.15 -0.00 -0.07 0.00 0.00 0.00 178.15 178.30 2hgx h LEU 843 N 0.75 0.67 -0.30 1.44 3.38 -0.96 -0.32 115.31 119.98 2hgx h LEU 843 Ca 0.20 -0.15 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2hgx h LEU 843 Cb -0.05 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2hgx h LEU 843 CO -0.04 0.75 -0.27 -0.09 0.09 0.00 0.00 178.44 178.87 2hgx h ARG 844 N 0.66 0.71 -0.26 1.13 2.43 -0.88 -1.24 114.38 116.93 2hgx h ARG 844 Ca 0.13 -0.36 -0.02 0.00 -0.81 0.00 0.00 59.98 58.91 2hgx h ARG 844 Cb 0.42 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2hgx h ARG 844 CO 0.02 0.98 0.07 0.74 -1.51 0.00 0.00 179.97 180.26 2hgx h PHE 845 N 0.45 0.43 -0.46 2.20 0.05 -0.88 -2.04 116.94 116.70 2hgx h PHE 845 Ca 0.05 -0.05 0.02 0.00 3.82 0.00 0.00 57.97 61.81 2hgx h PHE 845 Cb 0.84 -0.12 -0.03 0.00 2.00 0.00 0.00 35.95 38.64 2hgx h PHE 845 CO 0.07 0.49 0.28 0.37 -0.18 0.00 0.00 178.31 179.34 2hgx h GLN 846 N 0.25 0.55 -0.44 1.51 4.15 -1.01 -0.00 115.11 120.12 2hgx h GLN 846 Ca 0.08 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.42 2hgx h GLN 846 Cb 0.27 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 2hgx h GLN 846 CO -0.00 0.36 0.10 -0.22 -1.93 0.00 0.00 178.83 177.14 2hgx h LYS 847 N 0.57 0.71 -0.35 1.69 3.64 -1.17 -0.65 116.57 121.01 2hgx h LYS 847 Ca 0.18 -0.17 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 2hgx h LYS 847 Cb -0.01 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2hgx h LYS 847 CO -0.07 0.72 -0.43 1.49 -2.27 0.00 0.00 179.45 178.89 2hgx h GLU 848 N 0.58 0.88 -0.50 1.90 4.81 -1.16 -1.29 114.58 119.81 2hgx h GLU 848 Ca 0.14 -0.49 -0.05 0.00 -0.13 0.00 0.00 59.36 58.83 2hgx h GLU 848 Cb 0.33 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2hgx h GLU 848 CO 0.00 1.13 0.10 -0.07 -0.73 0.00 0.00 179.01 179.45 2hgx h LEU 849 N 0.71 0.77 -0.54 1.64 3.38 -0.93 -2.21 115.31 118.13 2hgx h LEU 849 Ca 0.05 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2hgx h LEU 849 Cb 1.02 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 2hgx h LEU 849 CO 0.10 0.82 0.35 0.50 0.09 0.00 0.00 178.44 180.31 2hgx h LYS 850 N 0.69 0.72 -0.26 1.13 3.64 -0.99 0.15 116.57 121.65 2hgx h LYS 850 Ca 0.15 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 2hgx h LYS 850 Cb 0.36 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2hgx h LYS 850 CO 0.01 0.49 -0.13 0.93 -2.27 0.00 0.00 179.45 178.47 2hgx h GLU 851 N 0.74 0.44 0.01 1.90 5.08 -1.06 -1.44 114.58 120.25 2hgx h GLU 851 Ca 0.20 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2hgx h GLU 851 Cb -0.07 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2hgx h GLU 851 CO -0.04 0.57 -0.21 0.82 -1.00 0.00 0.00 179.01 179.15 2hgx h ILE 852 N 0.41 1.60 -0.94 3.13 2.04 -0.94 0.13 117.51 122.94 2hgx h ILE 852 Ca 0.08 -2.03 -0.00 0.00 1.00 0.00 0.00 64.86 63.90 2hgx h ILE 852 Cb 0.48 2.91 -0.05 0.00 -0.74 0.00 0.00 36.82 39.42 2hgx h ILE 852 CO 0.03 0.55 0.57 1.56 0.00 0.00 0.00 178.15 180.85 2hgx h GLN 853 N -0.62 1.27 -0.64 2.37 4.20 -0.60 -2.57 115.11 118.53 2hgx h GLN 853 Ca -0.03 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.57 2hgx h GLN 853 Cb 1.01 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 28.53 2hgx h GLN 853 CO 0.04 0.89 0.00 0.66 -0.67 0.00 0.00 178.83 179.75 2hgx n TYR 854 N -4.37 1.27 -1.22 2.96 4.02 -0.55 -4.67 117.16 114.60 2hgx n TYR 854 Ca 0.10 -0.48 -0.08 0.00 -0.01 0.00 0.00 57.90 57.44 2hgx n TYR 854 Cb 0.06 -0.26 -0.03 0.00 -0.02 0.00 0.00 39.34 39.08 2hgx n TYR 854 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2hgx n GLY 855 N 0.80 0.91 0.17 2.72 0.00 -0.97 -4.45 105.19 104.37 2hgx n GLY 855 Ca 0.20 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.88 2hgx n GLY 855 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2hgx h ILE 856 N 0.00 1.37 -3.46 -0.61 1.08 -1.06 -3.41 117.51 111.41 2hgx h ILE 856 Ca -0.16 -1.85 -0.68 0.00 -0.39 0.00 0.00 64.86 61.79 2hgx h ILE 856 Cb 0.69 1.93 -0.31 0.00 -3.07 0.00 0.00 36.82 36.07 2hgx h ILE 856 CO 0.23 0.54 -0.85 -0.13 -0.69 0.00 0.00 178.15 177.25 2hgx s ARG 857 N -3.85 3.03 0.22 2.37 0.52 -0.26 -5.00 118.95 115.99 2hgx s ARG 857 Ca -0.03 -0.83 -0.30 0.00 -0.52 0.00 0.00 55.73 54.05 2hgx s ARG 857 Cb 0.13 -2.36 -0.09 0.00 0.52 0.00 0.00 34.95 33.15 2hgx s ARG 857 CO 0.78 0.23 1.15 0.00 0.02 0.00 0.00 175.30 177.48 2hgx s ALA 858 N 0.23 3.42 -0.20 2.13 0.00 -1.26 -4.51 121.76 121.57 2hgx s ALA 858 Ca -0.14 0.92 -0.24 0.00 0.00 0.00 0.00 51.96 52.50 2hgx s ALA 858 Cb -0.17 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 19.64 2hgx s ALA 858 CO 0.07 -0.28 0.65 -1.58 0.00 0.00 0.00 175.76 174.62 2hgx s HIS 859 N -0.54 -0.69 -0.27 0.00 2.46 -1.26 -5.03 115.29 109.97 2hgx s HIS 859 Ca 0.49 1.58 0.25 0.00 0.47 0.00 0.00 55.06 57.85 2hgx s HIS 859 Cb -0.32 0.27 1.16 0.00 -0.13 0.00 0.00 32.58 33.56 2hgx s HIS 859 CO 0.39 -0.40 1.76 1.05 -2.47 0.00 0.00 174.74 175.07 2hgx h GLU 860 N 4.66 0.00 0.00 2.88 4.11 -2.01 -2.50 114.58 121.72 2hgx h GLU 860 Ca -0.28 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.09 2hgx h GLU 860 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2hgx h GLU 860 CO 0.16 0.00 -0.27 -1.49 0.07 0.00 0.00 179.01 177.48 2hgx h TRP 861 N 0.00 0.00 -3.29 2.06 6.55 -1.96 -3.44 115.95 115.87 2hgx h TRP 861 Ca 0.00 0.00 -0.57 0.00 0.95 0.00 0.00 58.89 59.27 2hgx h TRP 861 Cb 0.26 0.00 -0.06 0.00 -0.86 0.00 0.00 29.16 28.50 2hgx h TRP 861 CO 0.00 0.27 -0.04 -1.64 -1.05 0.00 0.00 178.44 175.97 2hgx s MET 862 N -4.03 4.30 -0.29 0.49 -1.94 -0.94 -0.97 119.30 115.92 2hgx s MET 862 Ca -0.02 0.67 -0.05 0.00 -1.71 0.00 0.00 55.69 54.58 2hgx s MET 862 Cb 0.13 -3.36 0.02 0.00 2.01 0.00 0.00 34.83 33.63 2hgx s MET 862 CO 0.66 0.33 0.04 0.12 -0.01 0.00 0.00 175.02 176.16 2hgx s PHE 863 N -0.03 3.15 0.30 -0.03 5.36 -0.18 -4.94 117.98 121.60 2hgx s PHE 863 Ca 0.30 -1.26 -0.29 0.00 -0.96 0.00 0.00 56.93 54.72 2hgx s PHE 863 Cb -0.17 -2.19 -0.10 0.00 -0.34 0.00 0.00 43.02 40.22 2hgx s PHE 863 CO 0.16 -0.65 1.14 -1.25 -1.46 0.00 0.00 175.22 173.15 2hgx s PRO 864 N 1.42 4.55 0.00 10.12 0.04 -1.26 -0.26 135.00 149.62 2hgx s PRO 864 Ca 0.01 1.88 0.26 0.00 0.04 0.00 0.00 61.00 63.19 2hgx s PRO 864 Cb -0.17 -3.13 0.66 0.00 0.04 0.00 0.00 34.50 31.89 2hgx s PRO 864 CO 0.00 0.11 1.52 0.28 0.04 0.00 0.00 177.00 178.95