#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lwh s ILE 443 N 0.00 3.28 0.26 1.12 1.01 -1.26 -3.93 121.20 121.67 1lwh s ILE 443 Ca 0.00 -0.62 0.08 0.00 0.00 0.00 0.00 60.65 60.11 1lwh s ILE 443 Cb 0.00 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1lwh s ILE 443 CO 0.00 0.57 0.09 -0.83 0.00 0.00 0.00 174.94 174.77 1lwh s GLY 444 N -0.46 1.55 -0.12 6.18 0.00 0.14 -0.51 107.32 114.10 1lwh s GLY 444 Ca 0.06 -1.53 -0.05 0.00 0.00 0.00 0.00 44.72 43.20 1lwh s GLY 444 CO 0.02 -1.59 0.25 -0.47 0.00 0.00 0.00 173.10 171.31 1lwh s TYR 445 N -2.21 -0.37 -0.19 1.90 5.04 -0.88 -1.71 117.35 118.93 1lwh s TYR 445 Ca 0.32 0.88 -0.13 0.00 -2.44 0.00 0.00 57.07 55.70 1lwh s TYR 445 Cb -0.07 -0.04 -0.05 0.00 0.35 0.00 0.00 41.96 42.15 1lwh s TYR 445 CO 0.22 -0.32 0.27 -1.14 -1.34 0.00 0.00 175.55 173.25 1lwh s GLN 446 N 2.12 4.20 -0.04 4.97 0.74 -0.45 -0.39 119.66 130.81 1lwh s GLN 446 Ca -0.01 0.02 0.07 0.00 0.05 0.00 0.00 55.36 55.49 1lwh s GLN 446 Cb -0.12 -3.47 -0.02 0.00 1.10 0.00 0.00 33.01 30.51 1lwh s GLN 446 CO -0.08 0.16 -0.25 0.42 -0.55 0.00 0.00 175.29 174.98 1lwh s ILE 447 N 0.73 2.05 -0.66 -2.34 1.01 -0.04 -0.23 121.20 121.72 1lwh s ILE 447 Ca 0.14 -1.09 -0.15 0.00 0.00 0.00 0.00 60.65 59.55 1lwh s ILE 447 Cb -0.13 -1.71 0.17 0.00 0.01 0.00 0.00 42.46 40.79 1lwh s ILE 447 CO 0.04 0.57 0.62 -0.47 0.00 0.00 0.00 174.94 175.70 1lwh s TYR 448 N -0.40 3.45 0.27 3.97 5.04 -1.26 -1.59 117.35 126.82 1lwh s TYR 448 Ca 0.04 -1.56 -0.10 0.00 -2.44 0.00 0.00 57.07 53.00 1lwh s TYR 448 Cb -0.12 -3.82 0.41 0.00 0.35 0.00 0.00 41.96 38.79 1lwh s TYR 448 CO 0.01 -1.02 1.57 0.28 -1.34 0.00 0.00 175.55 175.05 1lwh h VAL 449 N 5.45 0.04 -0.65 3.14 2.07 -1.95 0.59 116.25 124.94 1lwh h VAL 449 Ca -0.13 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.56 1lwh h VAL 449 Cb 1.08 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1lwh h VAL 449 CO 0.93 0.00 0.46 -0.09 0.02 0.00 0.00 177.57 178.88 1lwh h ARG 450 N -0.00 0.09 -0.01 1.57 2.43 -1.93 -2.39 114.38 114.12 1lwh h ARG 450 Ca 0.45 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 1lwh h ARG 450 Cb 0.69 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1lwh h ARG 450 CO -0.99 0.06 -0.53 0.43 -1.51 0.00 0.00 179.97 177.44 1lwh n SER 451 N -4.38 1.90 0.00 -3.80 7.64 0.17 -0.40 113.62 114.75 1lwh n SER 451 Ca 0.12 -1.44 0.00 0.00 1.01 0.00 0.00 58.87 58.56 1lwh n SER 451 Cb 0.66 0.52 0.00 0.00 -1.01 0.00 0.00 64.21 64.38 1lwh n SER 451 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1lwh n PHE 452 N -0.19 0.00 -3.77 1.43 7.35 -0.90 -0.83 117.46 120.54 1lwh n PHE 452 Ca 0.09 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.64 1lwh n PHE 452 Cb 0.45 -0.20 -0.15 0.00 0.35 0.00 0.00 39.48 39.93 1lwh n PHE 452 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1lwh s ARG 453 N -0.47 0.02 -0.27 -4.13 3.52 -1.26 -4.59 118.95 111.78 1lwh s ARG 453 Ca 0.00 0.24 -0.16 0.00 -0.13 0.00 0.00 55.73 55.68 1lwh s ARG 453 Cb 0.00 -0.19 -0.03 0.00 -1.56 0.00 0.00 34.95 33.17 1lwh s ARG 453 CO 0.00 -0.15 0.44 0.34 -0.81 0.00 0.00 175.30 175.13 1lwh s ASP 454 N 0.97 6.34 -0.09 -2.12 2.15 0.03 -2.50 116.67 121.45 1lwh s ASP 454 Ca -0.08 0.39 0.14 0.00 0.43 0.00 0.00 52.55 53.44 1lwh s ASP 454 Cb -0.11 -2.24 0.47 0.00 -0.30 0.00 0.00 42.92 40.74 1lwh s ASP 454 CO -0.04 -0.24 1.39 0.61 -0.17 0.00 0.00 175.17 176.73 1lwh n GLY 455 N 4.55 3.29 1.26 2.66 0.00 -1.26 -3.71 105.19 111.99 1lwh n GLY 455 Ca -0.06 -0.73 0.04 0.00 0.00 0.00 0.00 46.02 45.27 1lwh n GLY 455 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1lwh n ASN 456 N 0.19 0.97 -3.75 1.61 0.23 -1.26 -4.61 115.26 108.64 1lwh n ASN 456 Ca 0.18 -2.21 -0.29 0.00 -0.53 0.00 0.00 54.58 51.73 1lwh n ASN 456 Cb 0.70 -0.31 -0.01 0.00 -2.08 0.00 0.00 39.78 38.08 1lwh n ASN 456 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1lwh n LEU 457 N 0.24 -1.76 0.00 -4.53 4.77 -1.26 -4.83 117.00 109.63 1lwh n LEU 457 Ca 0.07 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 1lwh n LEU 457 Cb 1.04 -2.17 0.00 0.00 -2.33 0.00 0.00 43.42 39.96 1lwh n LEU 457 CO -0.03 0.25 0.36 -0.90 -1.33 0.00 0.00 177.39 175.74 1lwh n ASP 458 N -2.50 1.42 0.00 -1.43 5.75 -1.26 -4.99 116.55 113.54 1lwh n ASP 458 Ca 0.03 -1.47 0.00 0.00 -0.01 0.00 0.00 54.79 53.34 1lwh n ASP 458 Cb 0.52 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.61 1lwh n ASP 458 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lwh n GLY 459 N -0.24 0.75 3.48 6.12 0.00 -1.26 -4.94 105.19 109.11 1lwh n GLY 459 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1lwh n GLY 459 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lwh s VAL 460 N -3.12 3.88 0.43 1.61 1.01 -1.26 -1.16 120.40 121.79 1lwh s VAL 460 Ca 0.00 -0.36 -0.25 0.00 0.00 0.00 0.00 61.98 61.37 1lwh s VAL 460 Cb 0.00 -2.71 -0.09 0.00 0.00 0.00 0.00 36.38 33.58 1lwh s VAL 460 CO 0.00 0.48 1.35 0.61 0.00 0.00 0.00 175.10 177.54 1lwh n GLY 461 N 3.67 0.77 3.51 4.51 0.00 0.46 -4.33 105.19 113.78 1lwh n GLY 461 Ca -0.17 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 1lwh n GLY 461 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1lwh s ASP 462 N -0.50 0.81 0.40 1.61 1.47 -1.04 -4.31 116.67 115.12 1lwh s ASP 462 Ca 0.61 -1.44 0.15 0.00 1.18 0.00 0.00 52.55 53.05 1lwh s ASP 462 Cb -0.48 0.67 0.84 0.00 -0.34 0.00 0.00 42.92 43.61 1lwh s ASP 462 CO 0.58 -1.31 1.87 -0.26 0.68 0.00 0.00 175.17 176.74 1lwh h PHE 463 N 2.12 0.00 -0.12 2.11 0.04 -0.27 -2.47 116.94 118.35 1lwh h PHE 463 Ca -0.28 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.36 1lwh h PHE 463 Cb 1.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.40 1lwh h PHE 463 CO 1.42 0.31 -0.43 0.00 -0.60 0.00 0.00 178.31 179.01 1lwh h ARG 464 N 0.00 0.51 -0.45 1.51 3.08 -1.84 -2.67 114.38 114.52 1lwh h ARG 464 Ca -0.00 -0.38 0.01 0.00 0.07 0.00 0.00 59.98 59.67 1lwh h ARG 464 Cb 0.58 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1lwh h ARG 464 CO 0.04 1.01 0.29 0.78 -1.07 0.00 0.00 179.97 181.02 1lwh h GLY 465 N 0.11 0.63 0.11 0.04 0.00 -1.65 -1.65 103.07 100.66 1lwh h GLY 465 Ca -0.02 -0.23 0.19 0.00 0.00 0.00 0.00 47.33 47.27 1lwh h GLY 465 CO 0.09 0.21 0.58 -2.00 0.00 0.00 0.00 176.54 175.43 1lwh h LEU 466 N 0.59 0.73 -0.95 3.11 5.85 -1.45 0.38 115.31 123.57 1lwh h LEU 466 Ca 0.17 0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.90 1lwh h LEU 466 Cb -0.05 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1lwh h LEU 466 CO -0.05 0.25 -0.19 0.50 -0.34 0.00 0.00 178.44 178.61 1lwh h LYS 467 N 0.73 0.54 0.00 1.25 3.64 -0.96 -2.47 116.57 119.31 1lwh h LYS 467 Ca 0.57 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1lwh h LYS 467 Cb 0.89 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1lwh h LYS 467 CO -0.39 0.71 0.00 0.09 -2.27 0.00 0.00 179.45 177.59 1lwh n ASN 468 N -4.15 0.00 -0.83 4.20 3.02 0.13 -2.90 115.26 114.73 1lwh n ASN 468 Ca 0.00 0.35 0.11 0.00 -0.03 0.00 0.00 54.58 55.01 1lwh n ASN 468 Cb 0.38 -0.44 0.29 0.00 -0.61 0.00 0.00 39.78 39.40 1lwh n ASN 468 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lwh n ALA 469 N -1.44 2.47 -0.02 5.41 0.00 -0.69 -4.29 120.51 121.95 1lwh n ALA 469 Ca 0.08 -0.73 0.04 0.00 0.00 0.00 0.00 53.44 52.82 1lwh n ALA 469 Cb 0.27 -0.98 0.41 0.00 0.00 0.00 0.00 19.45 19.15 1lwh n ALA 469 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1lwh h VAL 470 N 3.30 1.11 -0.53 0.00 2.07 -1.60 -2.35 116.25 118.24 1lwh h VAL 470 Ca 0.00 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1lwh h VAL 470 Cb 0.72 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1lwh h VAL 470 CO 0.00 0.11 0.32 0.28 0.02 0.00 0.00 177.57 178.30 1lwh h SER 471 N 0.60 0.63 -0.14 0.57 0.02 -1.85 -1.30 113.55 112.08 1lwh h SER 471 Ca 0.17 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1lwh h SER 471 Cb -0.05 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 1lwh h SER 471 CO -0.04 0.50 0.02 0.22 -1.14 0.00 0.00 176.83 176.40 1lwh h TYR 472 N 0.71 0.24 -0.38 3.45 3.20 -1.77 -1.65 116.97 120.77 1lwh h TYR 472 Ca 0.19 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 1lwh h TYR 472 Cb -0.01 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.17 1lwh h TYR 472 CO -0.03 0.40 0.11 -0.07 -1.64 0.00 0.00 178.16 176.94 1lwh h LEU 473 N 0.01 0.50 -0.15 2.82 3.38 -1.33 0.68 115.31 121.22 1lwh h LEU 473 Ca 0.04 -0.06 -0.23 0.00 0.09 0.00 0.00 57.88 57.72 1lwh h LEU 473 Cb 0.29 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.92 1lwh h LEU 473 CO 0.00 0.49 -0.87 0.50 0.09 0.00 0.00 178.44 178.66 1lwh h LYS 474 N 0.54 0.68 0.00 1.13 1.63 -1.20 0.27 116.57 119.63 1lwh h LYS 474 Ca 0.13 -0.62 -0.05 0.00 -0.85 0.00 0.00 60.65 59.26 1lwh h LYS 474 Cb 0.18 0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 1lwh h LYS 474 CO -0.01 1.22 -0.26 1.49 -3.45 0.00 0.00 179.45 178.45 1lwh h GLU 475 N 0.44 0.00 -0.01 1.90 4.81 -0.42 -2.28 114.58 119.02 1lwh h GLU 475 Ca -0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1lwh h GLU 475 Cb 1.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.88 1lwh h GLU 475 CO 0.17 0.26 -0.14 -0.11 -0.73 0.00 0.00 179.01 178.45 1lwh n LEU 476 N -3.41 1.54 -0.07 1.64 7.94 0.23 -4.97 117.00 119.90 1lwh n LEU 476 Ca 0.00 -0.49 -0.01 0.00 -1.11 0.00 0.00 56.01 54.41 1lwh n LEU 476 Cb 0.45 -0.05 -0.00 0.00 0.53 0.00 0.00 43.42 44.36 1lwh n LEU 476 CO 0.34 0.27 -0.01 0.61 -1.11 0.00 0.00 177.39 177.49 1lwh n GLY 477 N 1.28 0.35 3.77 -3.96 0.00 -0.82 -4.80 105.19 101.02 1lwh n GLY 477 Ca 0.15 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 1lwh n GLY 477 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lwh s ILE 478 N -2.03 4.31 -0.24 -0.61 -1.09 0.90 -4.52 121.20 117.92 1lwh s ILE 478 Ca 0.00 1.76 -0.07 0.00 -2.23 0.00 0.00 60.65 60.11 1lwh s ILE 478 Cb 0.00 -4.15 -0.12 0.00 -1.58 0.00 0.00 42.46 36.61 1lwh s ILE 478 CO 0.00 0.48 -0.27 0.47 -1.23 0.00 0.00 174.94 174.39 1lwh n ASP 479 N 1.46 1.89 -3.98 3.58 9.92 0.34 -4.72 116.55 125.03 1lwh n ASP 479 Ca -0.04 0.15 -0.14 0.00 -0.53 0.00 0.00 54.79 54.22 1lwh n ASP 479 Cb 0.49 -0.58 -0.13 0.00 -0.64 0.00 0.00 41.12 40.25 1lwh n ASP 479 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 1lwh s PHE 480 N -2.44 0.47 -0.06 1.24 -0.71 -1.11 0.91 117.98 116.28 1lwh s PHE 480 Ca -0.32 -0.21 0.01 0.00 -1.04 0.00 0.00 56.93 55.36 1lwh s PHE 480 Cb 0.11 -0.29 -0.03 0.00 -1.21 0.00 0.00 43.02 41.60 1lwh s PHE 480 CO 0.45 -0.04 -0.06 0.14 -1.34 0.00 0.00 175.22 174.38 1lwh s VAL 481 N -0.52 3.77 -0.28 -2.49 -7.23 0.11 -2.06 120.40 111.70 1lwh s VAL 481 Ca -0.02 -0.49 -0.06 0.00 -1.81 0.00 0.00 61.98 59.59 1lwh s VAL 481 Cb -0.04 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.34 1lwh s VAL 481 CO -0.00 0.57 0.06 0.86 -0.31 0.00 0.00 175.10 176.28 1lwh s TRP 482 N -0.85 3.12 -0.24 2.82 -0.00 0.48 -0.25 118.94 124.01 1lwh s TRP 482 Ca 0.13 -0.91 -0.12 0.00 -0.00 0.00 0.00 56.10 55.20 1lwh s TRP 482 Cb -0.11 -2.23 -0.05 0.00 -0.00 0.00 0.00 33.47 31.08 1lwh s TRP 482 CO 0.02 -0.55 0.22 -0.51 -0.00 0.00 0.00 176.95 176.14 1lwh s LEU 483 N 1.51 4.11 0.73 5.86 1.43 -0.26 -0.86 118.68 131.20 1lwh s LEU 483 Ca 0.03 0.19 -0.15 0.00 -1.03 0.00 0.00 54.13 53.17 1lwh s LEU 483 Cb -0.17 -2.20 0.04 0.00 0.03 0.00 0.00 46.19 43.89 1lwh s LEU 483 CO 0.02 0.02 1.22 -0.04 0.23 0.00 0.00 176.35 177.79 1lwh s MET 484 N 1.21 2.11 -0.08 1.70 -1.94 -0.62 -1.47 119.30 120.22 1lwh s MET 484 Ca 0.10 1.80 -0.07 0.00 -1.71 0.00 0.00 55.69 55.80 1lwh s MET 484 Cb -0.14 -1.83 -0.03 0.00 2.01 0.00 0.00 34.83 34.84 1lwh s MET 484 CO 0.06 -1.86 0.34 -2.30 -0.01 0.00 0.00 175.02 171.24 1lwh n PRO 485 N -2.71 0.00 -0.54 2.03 -0.02 -1.26 -4.74 135.00 127.76 1lwh n PRO 485 Ca 0.14 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.70 1lwh n PRO 485 Cb 0.50 -0.25 0.30 0.00 -0.02 0.00 0.00 33.50 34.03 1lwh n PRO 485 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1lwh n VAL 486 N 0.99 2.05 -3.36 -1.45 0.24 -1.26 -4.81 118.33 110.73 1lwh n VAL 486 Ca 0.08 -1.46 -0.20 0.00 -2.04 0.00 0.00 64.34 60.72 1lwh n VAL 486 Cb -0.01 -0.03 -0.00 0.00 -1.47 0.00 0.00 33.84 32.33 1lwh n VAL 486 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1lwh s PHE 487 N -2.25 3.19 0.24 6.34 0.08 -1.26 -0.68 117.98 123.64 1lwh s PHE 487 Ca 0.44 -0.05 -0.31 0.00 0.12 0.00 0.00 56.93 57.13 1lwh s PHE 487 Cb 0.32 -2.05 -0.11 0.00 -0.57 0.00 0.00 43.02 40.61 1lwh s PHE 487 CO 0.16 -0.07 1.55 -1.12 -0.10 0.00 0.00 175.22 175.64 1lwh s SER 488 N -4.17 6.51 -0.22 1.36 0.01 -0.95 -4.03 113.70 112.22 1lwh s SER 488 Ca 0.45 2.77 -0.30 0.00 1.31 0.00 0.00 55.95 60.18 1lwh s SER 488 Cb -0.10 -2.62 0.16 0.00 0.21 0.00 0.00 66.02 63.67 1lwh s SER 488 CO 0.33 -0.83 1.16 -0.55 0.41 0.00 0.00 173.24 173.76 1lwh s SER 489 N 0.68 -0.22 0.00 2.44 0.15 -1.26 -0.30 113.70 115.19 1lwh s SER 489 Ca 0.65 0.24 0.23 0.00 0.70 0.00 0.00 55.95 57.76 1lwh s SER 489 Cb -0.45 0.18 0.73 0.00 -1.71 0.00 0.00 66.02 64.77 1lwh s SER 489 CO 0.41 -0.20 1.55 2.30 1.20 0.00 0.00 173.24 178.49 1lwh n ILE 490 N 0.65 0.20 -3.49 6.45 -5.35 -1.26 -4.91 119.36 111.64 1lwh n ILE 490 Ca -0.06 -0.39 -0.32 0.00 -0.27 0.00 0.00 62.75 61.71 1lwh n ILE 490 Cb 0.58 0.54 -0.05 0.00 -1.74 0.00 0.00 39.64 38.97 1lwh n ILE 490 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1lwh s SER 491 N -1.66 6.58 0.47 7.28 1.04 -1.26 -4.96 113.70 121.19 1lwh s SER 491 Ca 0.34 0.81 0.32 0.00 0.48 0.00 0.00 55.95 57.90 1lwh s SER 491 Cb 0.19 -2.18 1.65 0.00 0.10 0.00 0.00 66.02 65.78 1lwh s SER 491 CO 0.28 -0.04 1.97 2.19 0.98 0.00 0.00 173.24 178.63 1lwh h PHE 492 N 2.61 0.00 0.00 5.02 -5.15 -2.03 -2.39 116.94 115.00 1lwh h PHE 492 Ca -0.47 0.00 -0.33 0.00 -0.20 0.00 0.00 57.97 56.98 1lwh h PHE 492 Cb 1.17 0.00 -0.06 0.00 0.22 0.00 0.00 35.95 37.28 1lwh h PHE 492 CO 0.61 0.00 -2.25 -2.39 -2.00 0.00 0.00 178.31 172.28 1lwh n HIS 493 N -2.65 0.00 -1.92 6.09 1.44 -1.26 -5.01 115.22 111.91 1lwh n HIS 493 Ca -0.01 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.60 1lwh n HIS 493 Cb 0.10 -0.90 -0.02 0.00 0.12 0.00 0.00 29.99 29.30 1lwh n HIS 493 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1lwh n GLY 494 N 1.85 0.30 0.11 -1.39 0.00 -0.90 -4.51 105.19 100.65 1lwh n GLY 494 Ca -0.29 -0.51 0.13 0.00 0.00 0.00 0.00 46.02 45.34 1lwh n GLY 494 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1lwh h TYR 495 N 0.00 0.00 -3.58 1.61 0.05 -1.93 -3.39 116.97 109.74 1lwh h TYR 495 Ca -0.22 0.00 -0.74 0.00 0.05 0.00 0.00 58.73 57.82 1lwh h TYR 495 Cb 1.01 0.00 -0.31 0.00 1.01 0.00 0.00 36.73 38.44 1lwh h TYR 495 CO 0.26 0.00 -0.02 0.16 -1.05 0.00 0.00 178.16 177.51 1lwh s ASP 496 N -4.70 6.24 0.34 3.88 -4.77 -1.26 -4.87 116.67 111.53 1lwh s ASP 496 Ca 0.08 -3.17 -0.27 0.00 -3.30 0.00 0.00 52.55 45.89 1lwh s ASP 496 Cb 0.12 -2.03 -0.09 0.00 -1.09 0.00 0.00 42.92 39.82 1lwh s ASP 496 CO 0.65 -0.36 1.11 -0.69 0.70 0.00 0.00 175.17 176.58 1lwh s VAL 497 N -0.55 3.44 -0.19 2.11 1.01 -1.26 -4.33 120.40 120.62 1lwh s VAL 497 Ca 0.22 1.30 0.15 0.00 0.00 0.00 0.00 61.98 63.66 1lwh s VAL 497 Cb -0.12 -3.77 -0.22 0.00 0.00 0.00 0.00 36.38 32.27 1lwh s VAL 497 CO -0.08 0.20 0.41 1.33 0.00 0.00 0.00 175.10 176.96 1lwh n VAL 498 N 0.60 0.00 -3.40 2.92 0.24 0.59 -0.19 118.33 119.09 1lwh n VAL 498 Ca 0.02 -0.30 0.02 0.00 -2.04 0.00 0.00 64.34 62.03 1lwh n VAL 498 Cb 0.46 0.36 -0.03 0.00 -1.47 0.00 0.00 33.84 33.16 1lwh n VAL 498 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1lwh s ASP 499 N -3.44 -0.97 0.00 -1.34 3.68 -1.22 -4.18 116.67 109.20 1lwh s ASP 499 Ca -0.03 1.04 0.28 0.00 2.13 0.00 0.00 52.55 55.97 1lwh s ASP 499 Cb 0.10 1.99 1.14 0.00 -1.45 0.00 0.00 42.92 44.70 1lwh s ASP 499 CO 0.63 -0.18 1.84 0.49 0.13 0.00 0.00 175.17 178.08 1lwh n PHE 500 N 5.32 0.00 -0.08 -5.34 3.01 -1.26 -3.28 117.46 115.83 1lwh n PHE 500 Ca -0.08 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.47 1lwh n PHE 500 Cb 0.51 -0.37 0.28 0.00 -0.01 0.00 0.00 39.48 39.89 1lwh n PHE 500 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1lwh n TYR 501 N -1.38 1.01 -3.91 1.38 4.02 -1.26 -4.88 117.16 112.14 1lwh n TYR 501 Ca 0.09 -0.45 -0.11 0.00 -0.01 0.00 0.00 57.90 57.42 1lwh n TYR 501 Cb 0.31 -0.09 -0.12 0.00 -0.02 0.00 0.00 39.34 39.42 1lwh n TYR 501 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1lwh s SER 502 N -0.93 0.08 0.30 7.72 1.04 -1.23 -5.11 113.70 115.57 1lwh s SER 502 Ca 0.42 -0.19 -0.05 0.00 0.48 0.00 0.00 55.95 56.61 1lwh s SER 502 Cb 0.24 0.09 -0.05 0.00 0.10 0.00 0.00 66.02 66.40 1lwh s SER 502 CO 0.25 -0.16 0.58 -0.36 0.98 0.00 0.00 173.24 174.52 1lwh s PHE 503 N -0.71 3.48 -0.16 5.02 0.40 -1.26 -2.24 117.98 122.51 1lwh s PHE 503 Ca -0.08 0.68 -0.30 0.00 -0.60 0.00 0.00 56.93 56.64 1lwh s PHE 503 Cb -0.05 -2.14 -0.07 0.00 0.51 0.00 0.00 43.02 41.27 1lwh s PHE 503 CO -0.00 0.14 2.13 1.17 0.70 0.00 0.00 175.22 179.36 1lwh n LYS 504 N -0.97 2.13 -0.34 0.44 4.81 0.15 -4.43 118.16 119.95 1lwh n LYS 504 Ca -0.01 0.66 0.23 0.00 -0.87 0.00 0.00 58.31 58.32 1lwh n LYS 504 Cb 0.54 -3.06 0.46 0.00 0.02 0.00 0.00 35.03 32.98 1lwh n LYS 504 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1lwh h ALA 505 N 13.26 1.92 0.00 3.14 0.00 -1.91 0.19 119.26 135.86 1lwh h ALA 505 Ca -0.43 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1lwh h ALA 505 Cb 1.25 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1lwh h ALA 505 CO 0.96 -0.52 -0.05 1.05 0.00 0.00 0.00 179.25 180.69 1lwh h GLU 506 N 0.37 0.00 0.00 0.00 4.11 -1.95 -2.17 114.58 114.94 1lwh h GLU 506 Ca 0.72 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.90 1lwh h GLU 506 Cb 1.59 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.80 1lwh h GLU 506 CO -0.58 0.05 -1.33 1.88 0.07 0.00 0.00 179.01 179.10 1lwh h TYR 507 N 0.00 0.01 0.00 2.06 0.99 -0.84 -3.42 116.97 115.77 1lwh h TYR 507 Ca -0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1lwh h TYR 507 Cb 0.29 -0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.02 1lwh h TYR 507 CO 0.00 1.01 0.00 0.41 -0.00 0.00 0.00 178.16 179.58 1lwh n GLY 508 N 1.45 0.89 3.94 3.88 0.00 -0.82 0.51 105.19 115.04 1lwh n GLY 508 Ca -0.08 -2.10 -0.26 0.00 0.00 0.00 0.00 46.02 43.58 1lwh n GLY 508 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lwh s SER 509 N -1.12 4.45 0.31 1.61 1.04 -1.26 -4.55 113.70 114.18 1lwh s SER 509 Ca 0.00 0.29 0.11 0.00 0.48 0.00 0.00 55.95 56.83 1lwh s SER 509 Cb 0.00 -0.80 0.49 0.00 0.10 0.00 0.00 66.02 65.81 1lwh s SER 509 CO 0.00 -1.83 1.70 -0.08 0.98 0.00 0.00 173.24 174.00 1lwh h GLU 510 N -0.76 0.03 0.26 4.02 4.81 -1.98 0.18 114.58 121.14 1lwh h GLU 510 Ca -0.43 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.79 1lwh h GLU 510 Cb 1.29 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.64 1lwh h GLU 510 CO 0.53 0.54 -0.41 -0.09 -0.73 0.00 0.00 179.01 178.85 1lwh h ARG 511 N 0.03 -0.71 0.00 1.92 9.65 -2.00 -1.75 114.38 121.52 1lwh h ARG 511 Ca -0.00 0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 58.86 1lwh h ARG 511 Cb 0.91 0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.64 1lwh h ARG 511 CO 0.07 -0.48 -0.32 0.93 2.80 0.00 0.00 179.97 182.98 1lwh h GLU 512 N -0.74 0.00 -0.12 0.20 5.08 -1.86 -2.48 114.58 114.65 1lwh h GLU 512 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1lwh h GLU 512 Cb 0.71 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1lwh h GLU 512 CO -0.16 0.32 0.02 0.35 -1.00 0.00 0.00 179.01 178.54 1lwh h PHE 513 N 0.00 0.22 -0.53 4.33 3.57 -0.27 -2.76 116.94 121.51 1lwh h PHE 513 Ca -0.00 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 1lwh h PHE 513 Cb 0.64 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 1lwh h PHE 513 CO 0.00 0.39 0.22 0.87 -2.23 0.00 0.00 178.31 177.56 1lwh h LYS 514 N -0.02 0.75 -0.51 1.11 1.57 -1.21 -0.81 116.57 117.45 1lwh h LYS 514 Ca 0.04 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1lwh h LYS 514 Cb 0.29 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1lwh h LYS 514 CO 0.00 0.61 0.21 0.93 -0.57 0.00 0.00 179.45 180.63 1lwh h GLU 515 N 0.75 0.74 -0.14 3.15 5.08 -1.40 -1.44 114.58 121.32 1lwh h GLU 515 Ca 0.18 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 1lwh h GLU 515 Cb 0.13 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1lwh h GLU 515 CO -0.02 0.60 -0.28 1.98 -1.00 0.00 0.00 179.01 180.29 1lwh h MET 516 N 0.73 0.44 -0.01 2.33 4.05 -0.96 -2.14 114.93 119.36 1lwh h MET 516 Ca 0.18 -0.28 0.02 0.00 -0.28 0.00 0.00 59.70 59.34 1lwh h MET 516 Cb 0.14 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.95 1lwh h MET 516 CO -0.02 0.89 -0.13 0.82 0.23 0.00 0.00 176.91 178.70 1lwh h ILE 517 N 0.04 0.67 -0.67 1.77 1.08 -0.94 -1.80 117.51 117.66 1lwh h ILE 517 Ca 0.00 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.51 1lwh h ILE 517 Cb 0.88 0.67 -0.05 0.00 -3.07 0.00 0.00 36.82 35.25 1lwh h ILE 517 CO 0.06 0.00 0.40 -0.08 -0.69 0.00 0.00 178.15 177.85 1lwh h GLU 518 N -0.22 0.76 -0.41 2.37 4.81 -1.29 -2.16 114.58 118.44 1lwh h GLU 518 Ca 0.05 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1lwh h GLU 518 Cb 0.28 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1lwh h GLU 518 CO -0.14 0.50 0.22 0.00 -0.73 0.00 0.00 179.01 178.86 1lwh h ALA 519 N 1.30 0.53 -0.29 2.92 0.00 -1.11 -1.03 119.26 121.58 1lwh h ALA 519 Ca 0.28 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1lwh h ALA 519 Cb 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1lwh h ALA 519 CO -0.13 0.07 0.18 0.74 0.00 0.00 0.00 179.25 180.11 1lwh h PHE 520 N 0.53 0.38 -0.65 0.00 -1.00 -1.17 -2.33 116.94 112.70 1lwh h PHE 520 Ca 0.14 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.93 1lwh h PHE 520 Cb 0.07 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 39.48 1lwh h PHE 520 CO -0.02 0.27 0.43 0.45 -1.61 0.00 0.00 178.31 177.82 1lwh h HIS 521 N 0.38 0.81 0.00 -0.55 3.86 -1.23 0.49 115.15 118.91 1lwh h HIS 521 Ca 0.10 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1lwh h HIS 521 Cb -0.01 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.19 1lwh h HIS 521 CO -0.05 0.51 -0.02 -0.44 0.86 0.00 0.00 177.93 178.80 1lwh h ASP 522 N 0.88 0.00 -0.40 2.45 3.32 -0.63 0.54 116.42 122.58 1lwh h ASP 522 Ca 0.24 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.21 1lwh h ASP 522 Cb -0.10 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 1lwh h ASP 522 CO -0.05 0.02 0.05 -1.20 -1.72 0.00 0.00 179.24 176.33 1lwh n SER 523 N -3.29 4.02 -3.72 6.45 7.64 -0.41 -4.96 113.62 119.35 1lwh n SER 523 Ca -0.02 -3.18 -0.27 0.00 1.01 0.00 0.00 58.87 56.40 1lwh n SER 523 Cb 0.13 -0.62 0.05 0.00 -1.01 0.00 0.00 64.21 62.76 1lwh n SER 523 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lwh n GLY 524 N -0.45 -0.52 3.35 0.23 0.00 0.18 -4.99 105.19 103.00 1lwh n GLY 524 Ca 0.28 0.21 -0.32 0.00 0.00 0.00 0.00 46.02 46.19 1lwh n GLY 524 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lwh s ILE 525 N -3.28 2.70 0.25 -0.61 1.01 0.03 -4.87 121.20 116.42 1lwh s ILE 525 Ca 0.61 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 60.35 1lwh s ILE 525 Cb -0.29 -2.07 -0.07 0.00 0.01 0.00 0.00 42.46 40.04 1lwh s ILE 525 CO 0.75 0.56 0.55 -0.54 0.00 0.00 0.00 174.94 176.26 1lwh s LYS 526 N -0.04 3.76 -0.25 2.79 1.02 0.26 -3.45 119.74 123.83 1lwh s LYS 526 Ca -0.05 0.21 -0.02 0.00 0.02 0.00 0.00 55.97 56.13 1lwh s LYS 526 Cb -0.14 -2.64 0.02 0.00 -0.52 0.00 0.00 37.83 34.55 1lwh s LYS 526 CO 0.04 0.28 -0.05 0.08 -0.92 0.00 0.00 175.35 174.78 1lwh s VAL 527 N -1.90 3.00 -0.19 3.17 1.01 -1.26 -0.71 120.40 123.51 1lwh s VAL 527 Ca 0.47 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 1lwh s VAL 527 Cb -0.11 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 1lwh s VAL 527 CO 0.24 0.23 -0.05 -0.69 0.00 0.00 0.00 175.10 174.82 1lwh s VAL 528 N 1.36 3.44 -0.19 2.92 1.01 0.65 -0.87 120.40 128.72 1lwh s VAL 528 Ca 0.01 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 1lwh s VAL 528 Cb -0.16 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 1lwh s VAL 528 CO -0.04 0.45 0.10 -0.76 0.00 0.00 0.00 175.10 174.85 1lwh s LEU 529 N 1.07 4.03 0.10 3.92 1.43 -0.63 -1.11 118.68 127.49 1lwh s LEU 529 Ca 0.01 0.16 -0.31 0.00 -1.03 0.00 0.00 54.13 52.96 1lwh s LEU 529 Cb -0.15 -2.04 -0.10 0.00 0.03 0.00 0.00 46.19 43.94 1lwh s LEU 529 CO -0.00 0.17 1.82 -0.62 0.23 0.00 0.00 176.35 177.95 1lwh s ASP 530 N 0.40 6.46 -0.48 2.29 -1.08 -0.54 -2.35 116.67 121.37 1lwh s ASP 530 Ca 0.06 2.70 0.03 0.00 -0.52 0.00 0.00 52.55 54.81 1lwh s ASP 530 Cb -0.12 -2.56 0.14 0.00 -1.46 0.00 0.00 42.92 38.92 1lwh s ASP 530 CO -0.01 -1.00 0.27 -0.22 0.52 0.00 0.00 175.17 174.73 1lwh s LEU 531 N 3.03 3.14 0.00 -1.34 2.96 -0.12 -4.40 118.68 121.95 1lwh s LEU 531 Ca 0.81 -2.82 -0.03 0.00 -0.22 0.00 0.00 54.13 51.87 1lwh s LEU 531 Cb -0.44 -1.18 -0.12 0.00 0.50 0.00 0.00 46.19 44.94 1lwh s LEU 531 CO 0.36 -0.24 2.02 -0.81 -1.32 0.00 0.00 176.35 176.36 1lwh n PRO 532 N 3.30 1.00 0.00 0.98 -0.04 -1.26 -4.40 135.00 134.58 1lwh n PRO 532 Ca 0.10 -0.44 0.04 0.00 -0.04 0.00 0.00 63.50 63.15 1lwh n PRO 532 Cb 0.35 -1.67 0.26 0.00 -0.04 0.00 0.00 33.50 32.40 1lwh n PRO 532 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1lwh n ILE 533 N 2.52 0.00 0.14 0.52 -5.35 -1.26 -2.79 119.36 113.13 1lwh n ILE 533 Ca 0.19 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.67 1lwh n ILE 533 Cb 0.47 -0.44 0.24 0.00 -1.74 0.00 0.00 39.64 38.17 1lwh n ILE 533 CO 0.00 0.00 0.00 -0.74 -1.76 0.00 0.00 176.55 174.05 1lwh h HIS 534 N 0.00 0.11 -3.72 4.28 2.76 -1.84 -3.47 115.15 113.26 1lwh h HIS 534 Ca 0.00 -0.03 -0.22 0.00 -2.20 0.00 0.00 60.37 57.92 1lwh h HIS 534 Cb 0.00 -0.02 -0.05 0.00 1.55 0.00 0.00 27.41 28.89 1lwh h HIS 534 CO 0.00 0.55 -0.05 -2.39 -1.30 0.00 0.00 177.93 174.75 1lwh n HIS 535 N -3.97 -1.64 -4.48 5.26 1.44 -1.12 -2.82 115.22 107.90 1lwh n HIS 535 Ca -0.02 -2.17 -0.24 0.00 -2.01 0.00 0.00 57.72 53.29 1lwh n HIS 535 Cb 0.51 0.62 -0.09 0.00 0.12 0.00 0.00 29.99 31.15 1lwh n HIS 535 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1lwh s THR 536 N -2.65 0.75 0.64 0.61 -4.23 -0.98 -4.76 115.64 105.02 1lwh s THR 536 Ca 0.25 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.73 1lwh s THR 536 Cb -0.02 -2.49 0.05 0.00 1.34 0.00 0.00 72.50 71.38 1lwh s THR 536 CO 0.18 0.00 0.91 -0.83 -0.54 0.00 0.00 174.62 174.34 1lwh s GLY 537 N -3.55 1.76 0.21 3.99 0.00 0.73 -3.09 107.32 107.38 1lwh s GLY 537 Ca 0.28 -1.16 -0.08 0.00 0.00 0.00 0.00 44.72 43.76 1lwh s GLY 537 CO 0.15 -0.79 1.79 -2.75 0.00 0.00 0.00 173.10 171.49 1lwh h PHE 538 N -0.31 1.18 0.00 1.90 3.57 -1.72 -2.85 116.94 118.70 1lwh h PHE 538 Ca -0.43 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 60.99 1lwh h PHE 538 Cb 1.30 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.69 1lwh h PHE 538 CO 0.29 0.88 0.00 1.28 -2.23 0.00 0.00 178.31 178.53 1lwh n LEU 539 N -4.32 0.00 -4.77 0.59 4.77 -1.26 -4.40 117.00 107.61 1lwh n LEU 539 Ca 0.07 0.14 -0.41 0.00 -0.03 0.00 0.00 56.01 55.79 1lwh n LEU 539 Cb 0.17 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1lwh n LEU 539 CO 0.40 -0.03 1.02 -2.28 -1.33 0.00 0.00 177.39 175.18 1lwh s HIS 540 N -2.28 2.88 0.30 -1.77 2.46 -1.08 -4.85 115.29 110.95 1lwh s HIS 540 Ca 0.31 1.34 0.06 0.00 0.47 0.00 0.00 55.06 57.23 1lwh s HIS 540 Cb 0.17 -3.79 0.76 0.00 -0.13 0.00 0.00 32.58 29.59 1lwh s HIS 540 CO 0.33 -2.24 1.74 1.15 -2.47 0.00 0.00 174.74 173.26 1lwh h THR 541 N 2.94 0.61 -0.54 0.89 2.02 -1.90 -1.90 112.91 115.03 1lwh h THR 541 Ca -0.50 -0.21 0.02 0.00 0.77 0.00 0.00 66.41 66.49 1lwh h THR 541 Cb 1.23 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 1lwh h THR 541 CO 0.65 0.11 0.33 -0.50 0.37 0.00 0.00 175.52 176.48 1lwh h TRP 542 N 0.61 0.63 -0.21 3.16 6.55 -1.92 -2.63 115.95 122.13 1lwh h TRP 542 Ca 0.58 0.02 -0.16 0.00 0.95 0.00 0.00 58.89 60.28 1lwh h TRP 542 Cb 1.00 -0.20 -0.01 0.00 -0.86 0.00 0.00 29.16 29.09 1lwh h TRP 542 CO -0.04 0.37 -0.52 0.35 -1.05 0.00 0.00 178.44 177.54 1lwh h PHE 543 N 0.67 0.76 -0.45 0.49 3.57 -1.67 -1.77 116.94 118.54 1lwh h PHE 543 Ca 0.21 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1lwh h PHE 543 Cb -0.00 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1lwh h PHE 543 CO -0.06 1.00 0.29 1.96 -2.23 0.00 0.00 178.31 179.28 1lwh h GLN 544 N 0.48 0.60 -0.56 1.11 1.08 -1.28 0.11 115.11 116.65 1lwh h GLN 544 Ca 0.02 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.12 1lwh h GLN 544 Cb 1.07 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 28.34 1lwh h GLN 544 CO 0.10 0.41 0.11 0.87 -0.95 0.00 0.00 178.83 179.37 1lwh h LYS 545 N 0.61 0.89 0.14 1.46 1.57 -1.40 -2.42 116.57 117.41 1lwh h LYS 545 Ca 0.16 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1lwh h LYS 545 Cb -0.05 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.13 1lwh h LYS 545 CO -0.03 0.81 -0.07 0.00 -0.57 0.00 0.00 179.45 179.58 1lwh h ALA 546 N 1.28 -0.20 -0.89 3.86 0.00 -0.73 -0.48 119.26 122.11 1lwh h ALA 546 Ca 0.18 -0.04 0.26 0.00 0.00 0.00 0.00 54.91 55.31 1lwh h ALA 546 Cb 0.34 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1lwh h ALA 546 CO 0.00 -0.61 0.74 -0.07 0.00 0.00 0.00 179.25 179.31 1lwh h LEU 547 N -0.20 0.00 -1.13 0.00 3.38 -0.40 0.96 115.31 117.94 1lwh h LEU 547 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1lwh h LEU 547 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1lwh h LEU 547 CO 0.03 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.85 1lwh n LYS 548 N -3.97 1.75 -1.32 1.13 5.02 -0.44 -4.92 118.16 115.42 1lwh n LYS 548 Ca 0.19 -1.12 -0.05 0.00 -2.02 0.00 0.00 58.31 55.31 1lwh n LYS 548 Cb 1.04 -1.44 -0.02 0.00 -0.02 0.00 0.00 35.03 34.60 1lwh n LYS 548 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1lwh n GLY 549 N 1.17 0.63 3.68 0.72 0.00 0.33 -4.95 105.19 106.78 1lwh n GLY 549 Ca 0.17 -0.82 -0.45 0.00 0.00 0.00 0.00 46.02 44.92 1lwh n GLY 549 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1lwh n ASP 550 N 1.21 3.72 0.00 1.61 -0.08 -0.32 -4.86 116.55 117.83 1lwh n ASP 550 Ca -0.05 0.97 0.00 0.00 -1.51 0.00 0.00 54.79 54.20 1lwh n ASP 550 Cb 0.23 -1.45 0.00 0.00 2.34 0.00 0.00 41.12 42.24 1lwh n ASP 550 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1lwh n PRO 551 N 6.32 0.00 -0.18 -0.67 -0.04 -1.26 -0.96 135.00 138.20 1lwh n PRO 551 Ca 0.20 0.86 -0.05 0.00 -0.04 0.00 0.00 63.50 64.47 1lwh n PRO 551 Cb 0.34 -1.38 0.01 0.00 -0.04 0.00 0.00 33.50 32.43 1lwh n PRO 551 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1lwh h HIS 552 N 0.00 -0.81 0.00 0.54 -0.00 -1.98 -2.83 115.15 110.06 1lwh h HIS 552 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 1lwh h HIS 552 Cb 0.00 0.44 0.00 0.00 -0.00 0.00 0.00 27.41 27.85 1lwh h HIS 552 CO -0.68 -0.36 0.00 0.66 -0.00 0.00 0.00 177.93 177.55 1lwh n TYR 553 N -5.43 0.76 -0.20 5.26 4.01 -1.12 -3.58 117.16 116.86 1lwh n TYR 553 Ca 0.04 0.23 -0.04 0.00 -0.16 0.00 0.00 57.90 57.97 1lwh n TYR 553 Cb 0.35 -0.87 0.14 0.00 -0.31 0.00 0.00 39.34 38.65 1lwh n TYR 553 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 1lwh h ARG 554 N 0.00 0.98 -0.03 -0.72 2.43 -0.78 -2.42 114.38 113.84 1lwh h ARG 554 Ca 0.00 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1lwh h ARG 554 Cb 0.66 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1lwh h ARG 554 CO 0.00 0.84 0.00 -0.25 -1.51 0.00 0.00 179.97 179.05 1lwh n ASP 555 N -4.27 0.03 0.12 -3.80 8.00 -1.23 -2.58 116.55 112.80 1lwh n ASP 555 Ca 0.05 -1.94 0.12 0.00 0.71 0.00 0.00 54.79 53.73 1lwh n ASP 555 Cb 0.21 -0.02 0.15 0.00 -0.02 0.00 0.00 41.12 41.44 1lwh n ASP 555 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1lwh h TYR 556 N 0.00 0.00 -1.39 1.24 -1.99 -1.61 -3.44 116.97 109.79 1lwh h TYR 556 Ca 0.00 0.00 -0.64 0.00 2.00 0.00 0.00 58.73 60.09 1lwh h TYR 556 Cb 0.02 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 38.62 1lwh h TYR 556 CO 0.00 0.00 -0.58 0.71 -0.00 0.00 0.00 178.16 178.29 1lwh s TYR 557 N -3.23 2.38 -0.51 4.88 1.51 -1.07 -0.24 117.35 121.08 1lwh s TYR 557 Ca 0.05 -0.73 -0.14 0.00 -1.01 0.00 0.00 57.07 55.24 1lwh s TYR 557 Cb 0.10 -1.76 0.12 0.00 -0.11 0.00 0.00 41.96 40.31 1lwh s TYR 557 CO 0.72 0.39 0.44 0.08 -1.11 0.00 0.00 175.55 176.06 1lwh s VAL 558 N -2.74 4.92 -0.13 0.71 1.01 -1.21 -4.69 120.40 118.27 1lwh s VAL 558 Ca 0.29 -1.50 -0.15 0.00 0.00 0.00 0.00 61.98 60.63 1lwh s VAL 558 Cb 0.08 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 1lwh s VAL 558 CO 0.15 -0.79 0.34 0.26 0.00 0.00 0.00 175.10 175.07 1lwh s TRP 559 N 1.54 3.51 0.99 5.22 0.52 -1.26 0.02 118.94 129.48 1lwh s TRP 559 Ca 0.04 0.70 -0.16 0.00 0.02 0.00 0.00 56.10 56.70 1lwh s TRP 559 Cb -0.28 -2.37 -0.03 0.00 -1.15 0.00 0.00 33.47 29.65 1lwh s TRP 559 CO 0.03 0.29 -0.17 0.00 0.02 0.00 0.00 176.95 177.11 1lwh n ALA 560 N 3.32 -3.96 -2.55 0.98 0.00 0.15 -4.97 120.51 113.48 1lwh n ALA 560 Ca -0.11 -0.79 -0.26 0.00 0.00 0.00 0.00 53.44 52.27 1lwh n ALA 560 Cb 0.52 -1.48 -0.09 0.00 0.00 0.00 0.00 19.45 18.40 1lwh n ALA 560 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1lwh s ASN 561 N -1.61 3.00 0.35 0.00 3.84 -1.26 -4.91 114.94 114.35 1lwh s ASN 561 Ca 0.50 -1.60 0.19 0.00 0.21 0.00 0.00 52.86 52.15 1lwh s ASN 561 Cb -0.16 0.36 0.30 0.00 -0.55 0.00 0.00 41.25 41.20 1lwh s ASN 561 CO 0.72 -0.84 1.56 0.07 -2.79 0.00 0.00 177.10 175.82 1lwh h LYS 562 N 1.77 0.00 -0.65 0.43 2.10 -2.04 -3.07 116.57 115.11 1lwh h LYS 562 Ca -0.38 0.00 -0.42 0.00 -2.00 0.00 0.00 60.65 57.84 1lwh h LYS 562 Cb 1.27 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 32.34 1lwh h LYS 562 CO 0.63 0.34 -0.09 -0.85 -2.00 0.00 0.00 179.45 177.49 1lwh n GLU 563 N -3.23 2.61 -4.89 0.07 0.00 -1.26 -4.99 120.64 108.94 1lwh n GLU 563 Ca 0.02 -3.53 -0.31 0.00 0.00 0.00 0.00 57.16 53.35 1lwh n GLU 563 Cb 0.63 -2.08 -0.14 0.00 0.00 0.00 0.00 31.44 29.84 1lwh n GLU 563 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1lwh s THR 564 N -4.04 2.38 -0.89 3.84 2.01 -1.16 -5.08 115.64 112.70 1lwh s THR 564 Ca 0.52 -1.25 -0.20 0.00 0.31 0.00 0.00 61.69 61.07 1lwh s THR 564 Cb 0.43 -1.94 0.11 0.00 0.01 0.00 0.00 72.50 71.12 1lwh s THR 564 CO 0.01 0.40 1.13 -0.62 -0.69 0.00 0.00 174.62 174.86 1lwh s ASP 565 N -1.18 6.54 0.34 3.53 2.15 -1.26 -4.76 116.67 122.03 1lwh s ASP 565 Ca 0.12 -1.80 0.17 0.00 0.43 0.00 0.00 52.55 51.47 1lwh s ASP 565 Cb -0.10 -2.42 0.90 0.00 -0.30 0.00 0.00 42.92 41.00 1lwh s ASP 565 CO 0.02 -1.18 1.44 -0.07 -0.17 0.00 0.00 175.17 175.22 1lwh h LEU 566 N 10.83 0.00 -2.86 -1.34 4.07 -1.98 0.28 115.31 124.31 1lwh h LEU 566 Ca 0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.04 1lwh h LEU 566 Cb 1.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.77 1lwh h LEU 566 CO 1.15 0.00 0.00 -0.67 -1.08 0.00 0.00 178.44 177.84 1lwh n ASP 567 N -2.16 3.39 -4.66 -0.43 -0.08 -1.26 -4.66 116.55 106.69 1lwh n ASP 567 Ca -0.01 -2.05 -0.40 0.00 -1.51 0.00 0.00 54.79 50.83 1lwh n ASP 567 Cb 0.24 -0.35 0.03 0.00 2.34 0.00 0.00 41.12 43.38 1lwh n ASP 567 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1lwh n GLU 568 N 0.91 1.44 -4.32 -0.67 2.13 0.98 -4.84 120.64 116.27 1lwh n GLU 568 Ca 0.17 0.53 -0.17 0.00 0.66 0.00 0.00 57.16 58.35 1lwh n GLU 568 Cb 0.53 -2.28 -0.10 0.00 0.27 0.00 0.00 31.44 29.86 1lwh n GLU 568 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1lwh s ARG 569 N -2.46 1.25 0.17 5.31 0.52 -1.26 -2.83 118.95 119.65 1lwh s ARG 569 Ca 0.68 -1.57 -0.22 0.00 -0.52 0.00 0.00 55.73 54.10 1lwh s ARG 569 Cb -0.47 -0.87 -0.08 0.00 0.52 0.00 0.00 34.95 34.05 1lwh s ARG 569 CO 0.53 0.09 0.71 0.50 0.02 0.00 0.00 175.30 177.15 1lwh s ARG 570 N -3.72 4.36 0.00 3.54 3.52 0.11 -4.79 118.95 121.98 1lwh s ARG 570 Ca 0.22 0.95 0.00 0.00 -0.13 0.00 0.00 55.73 56.77 1lwh s ARG 570 Cb 0.02 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.30 1lwh s ARG 570 CO 0.05 0.52 0.00 -0.85 -0.81 0.00 0.00 175.30 174.21 1lwh n GLU 571 N 1.29 0.00 0.00 5.12 0.28 -1.26 -0.41 120.64 125.65 1lwh n GLU 571 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 1lwh n GLU 571 Cb 0.50 -0.33 0.00 0.00 1.43 0.00 0.00 31.44 33.04 1lwh n GLU 571 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 177.13 174.30 1lwh n TRP 572 N 0.00 0.00 0.31 -1.84 -0.00 -1.26 -0.80 117.44 113.85 1lwh n TRP 572 Ca 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 57.50 57.70 1lwh n TRP 572 Cb 0.00 0.00 1.00 0.00 -0.00 0.00 0.00 31.31 32.31 1lwh n TRP 572 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 177.69 178.07 1lwh h ASP 573 N 0.00 0.00 -4.22 -0.67 -0.00 -2.03 -3.47 116.42 106.04 1lwh h ASP 573 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.03 56.93 1lwh h ASP 573 Cb 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 39.33 39.41 1lwh h ASP 573 CO 0.00 0.01 -0.33 0.61 -0.00 0.00 0.00 179.24 179.53 1lwh n GLY 574 N -0.71 -0.28 3.38 7.15 0.00 0.45 -5.00 105.19 110.18 1lwh n GLY 574 Ca -0.02 0.15 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 1lwh n GLY 574 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1lwh s GLU 575 N -3.53 1.50 0.34 1.61 2.02 -1.22 -4.69 118.70 114.73 1lwh s GLU 575 Ca 0.18 -1.81 -0.29 0.00 0.02 0.00 0.00 54.97 53.07 1lwh s GLU 575 Cb -0.02 -0.66 -0.11 0.00 0.10 0.00 0.00 34.13 33.44 1lwh s GLU 575 CO 0.37 -0.18 1.54 0.15 0.02 0.00 0.00 175.26 177.16 1lwh s LYS 576 N -3.91 4.10 -0.00 1.61 3.01 -1.26 0.07 119.74 123.36 1lwh s LYS 576 Ca 0.34 2.60 0.18 0.00 -1.01 0.00 0.00 55.97 58.09 1lwh s LYS 576 Cb 0.08 -2.98 -0.21 0.00 -1.01 0.00 0.00 37.83 33.71 1lwh s LYS 576 CO 0.13 -0.59 0.78 -0.89 0.51 0.00 0.00 175.35 175.29 1lwh n ILE 577 N 1.16 0.00 -4.22 2.17 2.08 -1.13 -4.78 119.36 114.64 1lwh n ILE 577 Ca 0.04 -0.07 -0.34 0.00 0.56 0.00 0.00 62.75 62.93 1lwh n ILE 577 Cb 0.38 0.97 -0.13 0.00 -0.75 0.00 0.00 39.64 40.11 1lwh n ILE 577 CO 0.00 0.00 0.00 0.26 0.56 0.00 0.00 176.55 177.37 1lwh s TRP 578 N -2.78 3.01 -0.08 1.39 0.52 -1.26 0.17 118.94 119.92 1lwh s TRP 578 Ca 0.07 -0.47 0.04 0.00 0.02 0.00 0.00 56.10 55.76 1lwh s TRP 578 Cb 0.14 -2.02 -0.01 0.00 -1.15 0.00 0.00 33.47 30.42 1lwh s TRP 578 CO 0.77 -0.20 -0.20 -1.01 0.02 0.00 0.00 176.95 176.33 1lwh s HIS 579 N 0.78 2.60 0.71 -1.98 3.76 0.19 -4.95 115.29 116.39 1lwh s HIS 579 Ca -0.01 -0.59 -0.11 0.00 -0.15 0.00 0.00 55.06 54.20 1lwh s HIS 579 Cb -0.14 -1.67 0.02 0.00 1.11 0.00 0.00 32.58 31.89 1lwh s HIS 579 CO 0.02 -0.13 1.07 -1.25 -0.85 0.00 0.00 174.74 173.59 1lwh s PRO 580 N -0.14 2.84 0.06 8.40 0.04 -1.26 -1.02 135.00 143.92 1lwh s PRO 580 Ca -0.03 0.76 0.02 0.00 0.04 0.00 0.00 61.00 61.79 1lwh s PRO 580 Cb -0.14 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 1lwh s PRO 580 CO 0.04 -1.12 -0.08 -0.51 0.04 0.00 0.00 177.00 175.37 1lwh s LEU 581 N -5.50 2.34 0.25 -3.56 1.43 0.57 -4.90 118.68 109.31 1lwh s LEU 581 Ca 0.58 -0.71 -0.05 0.00 -1.03 0.00 0.00 54.13 52.93 1lwh s LEU 581 Cb -0.13 -0.14 0.48 0.00 0.03 0.00 0.00 46.19 46.43 1lwh s LEU 581 CO 0.54 -0.29 1.68 -0.33 0.23 0.00 0.00 176.35 178.18 1lwh h GLU 582 N 3.96 0.25 -1.90 1.70 4.39 -2.00 -2.34 114.58 118.64 1lwh h GLU 582 Ca -0.36 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.22 1lwh h GLU 582 Cb 1.19 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.74 1lwh h GLU 582 CO 0.49 0.16 0.06 -0.40 -1.16 0.00 0.00 179.01 178.16 1lwh n ASP 583 N -5.17 5.62 0.00 1.42 5.75 -1.26 -4.82 116.55 118.09 1lwh n ASP 583 Ca 0.15 -2.59 0.00 0.00 -0.01 0.00 0.00 54.79 52.34 1lwh n ASP 583 Cb 0.48 -1.15 0.00 0.00 -1.03 0.00 0.00 41.12 39.42 1lwh n ASP 583 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lwh n GLY 584 N 1.34 1.36 3.79 6.12 0.00 -0.88 -4.98 105.19 111.95 1lwh n GLY 584 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1lwh n GLY 584 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lwh s ARG 585 N 0.00 2.91 -0.03 1.61 0.52 -1.26 -4.78 118.95 117.92 1lwh s ARG 585 Ca 0.00 1.18 -0.00 0.00 -0.52 0.00 0.00 55.73 56.39 1lwh s ARG 585 Cb 0.00 -1.98 0.03 0.00 0.52 0.00 0.00 34.95 33.52 1lwh s ARG 585 CO 0.00 -1.13 0.01 -0.06 0.02 0.00 0.00 175.30 174.14 1lwh s PHE 586 N -2.65 0.27 0.20 -0.53 0.40 -1.26 -0.31 117.98 114.11 1lwh s PHE 586 Ca 0.63 0.04 0.09 0.00 -0.60 0.00 0.00 56.93 57.08 1lwh s PHE 586 Cb -0.17 -0.43 -0.04 0.00 0.51 0.00 0.00 43.02 42.89 1lwh s PHE 586 CO 0.46 -0.15 -0.08 1.52 0.70 0.00 0.00 175.22 177.67 1lwh s TYR 587 N 1.27 2.64 0.05 0.36 1.13 -0.19 0.30 117.35 122.90 1lwh s TYR 587 Ca -0.06 -0.22 -0.23 0.00 -1.41 0.00 0.00 57.07 55.15 1lwh s TYR 587 Cb -0.13 -1.25 -0.06 0.00 -1.10 0.00 0.00 41.96 39.42 1lwh s TYR 587 CO -0.02 0.55 0.68 0.50 -2.51 0.00 0.00 175.55 174.74 1lwh s ARG 588 N -3.06 4.40 -0.36 -3.49 3.52 0.10 -0.64 118.95 119.42 1lwh s ARG 588 Ca 0.27 0.91 0.02 0.00 -0.13 0.00 0.00 55.73 56.80 1lwh s ARG 588 Cb -0.08 -3.33 0.15 0.00 -1.56 0.00 0.00 34.95 30.14 1lwh s ARG 588 CO 0.16 0.40 0.34 0.20 -0.81 0.00 0.00 175.30 175.60 1lwh s GLY 589 N -0.39 0.13 0.35 8.12 0.00 0.46 -1.42 107.32 114.57 1lwh s GLY 589 Ca 0.34 -1.11 0.12 0.00 0.00 0.00 0.00 44.72 44.07 1lwh s GLY 589 CO 0.21 2.61 1.79 -2.00 0.00 0.00 0.00 173.10 175.70 1lwh h LEU 590 N 7.12 0.62 -3.51 0.66 5.85 -1.76 -0.23 115.31 124.06 1lwh h LEU 590 Ca 0.04 0.09 -0.16 0.00 0.84 0.00 0.00 57.88 58.68 1lwh h LEU 590 Cb 1.04 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.95 1lwh h LEU 590 CO 0.22 0.19 0.12 0.49 -0.34 0.00 0.00 178.44 179.12 1lwh n PHE 591 N -4.69 1.67 0.00 1.25 3.72 -1.26 -4.94 117.46 113.22 1lwh n PHE 591 Ca 0.23 -1.26 0.00 0.00 -0.05 0.00 0.00 57.45 56.37 1lwh n PHE 591 Cb 0.69 -0.54 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 1lwh n PHE 591 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1lwh n GLY 592 N -0.61 2.17 0.35 1.37 0.00 -0.10 -4.47 105.19 103.90 1lwh n GLY 592 Ca 0.34 -2.08 0.18 0.00 0.00 0.00 0.00 46.02 44.47 1lwh n GLY 592 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1lwh h PRO 593 N 0.00 0.00 -0.02 1.61 0.13 -1.93 -1.59 132.00 130.20 1lwh h PRO 593 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1lwh h PRO 593 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1lwh h PRO 593 CO 0.00 0.00 -0.16 1.19 -0.23 0.00 0.00 178.00 178.80 1lwh n PHE 594 N -3.66 0.00 -3.10 1.56 3.01 -1.26 -4.54 117.46 109.46 1lwh n PHE 594 Ca 0.02 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.21 1lwh n PHE 594 Cb 0.39 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.81 1lwh n PHE 594 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1lwh n SER 595 N 0.64 4.22 -4.61 4.37 7.64 -0.60 -2.03 113.62 123.26 1lwh n SER 595 Ca 0.10 -3.60 -0.46 0.00 1.01 0.00 0.00 58.87 55.92 1lwh n SER 595 Cb 0.46 -0.60 -0.02 0.00 -1.01 0.00 0.00 64.21 63.04 1lwh n SER 595 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1lwh n PRO 596 N 0.13 1.45 -2.54 1.43 -0.04 -1.18 -4.30 135.00 129.95 1lwh n PRO 596 Ca 0.31 0.51 -0.42 0.00 -0.04 0.00 0.00 63.50 63.86 1lwh n PRO 596 Cb 0.40 -1.98 -0.03 0.00 -0.04 0.00 0.00 33.50 31.85 1lwh n PRO 596 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1lwh s ASP 597 N -0.25 7.23 0.47 3.54 1.11 -0.51 -2.32 116.67 125.94 1lwh s ASP 597 Ca 0.64 1.95 -0.15 0.00 0.18 0.00 0.00 52.55 55.17 1lwh s ASP 597 Cb -0.73 -2.59 -0.08 0.00 1.07 0.00 0.00 42.92 40.60 1lwh s ASP 597 CO 0.56 -0.31 0.91 -0.76 1.18 0.00 0.00 175.17 176.75 1lwh s LEU 598 N 0.48 3.73 -0.53 1.23 1.43 -1.13 -3.36 118.68 120.54 1lwh s LEU 598 Ca 0.53 1.44 -0.10 0.00 -1.03 0.00 0.00 54.13 54.98 1lwh s LEU 598 Cb -0.27 -4.35 0.13 0.00 0.03 0.00 0.00 46.19 41.73 1lwh s LEU 598 CO 0.31 -0.49 0.41 0.21 0.23 0.00 0.00 176.35 177.02 1lwh s ASN 599 N -2.97 5.81 0.00 2.29 2.47 0.66 -4.81 114.94 118.40 1lwh s ASN 599 Ca 0.57 -2.07 0.06 0.00 0.42 0.00 0.00 52.86 51.84 1lwh s ASN 599 Cb -0.10 -2.04 0.35 0.00 -1.45 0.00 0.00 41.25 38.02 1lwh s ASN 599 CO 0.29 -0.67 1.04 -1.22 -3.72 0.00 0.00 177.10 172.82 1lwh n TYR 600 N 4.72 0.00 0.16 0.43 4.01 -1.26 -1.85 117.16 123.36 1lwh n TYR 600 Ca -0.05 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.75 1lwh n TYR 600 Cb 0.41 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.50 1lwh n TYR 600 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1lwh h ASP 601 N 0.00 0.00 -3.47 7.72 5.19 -1.91 -3.43 116.42 120.52 1lwh h ASP 601 Ca 0.00 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.81 1lwh h ASP 601 Cb 0.00 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 39.42 1lwh h ASP 601 CO 0.00 0.34 0.54 0.21 -3.12 0.00 0.00 179.24 177.21 1lwh s ASN 602 N -6.31 6.68 0.47 6.45 3.84 -0.77 -4.94 114.94 120.35 1lwh s ASN 602 Ca 0.04 0.60 0.22 0.00 0.21 0.00 0.00 52.86 53.93 1lwh s ASN 602 Cb 0.07 -2.45 1.22 0.00 -0.55 0.00 0.00 41.25 39.54 1lwh s ASN 602 CO 0.73 -0.79 1.90 1.55 -2.79 0.00 0.00 177.10 177.70 1lwh h PRO 603 N 8.36 0.24 -0.71 0.43 0.13 -1.87 -1.31 132.00 137.27 1lwh h PRO 603 Ca -0.23 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.84 1lwh h PRO 603 Cb 1.08 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 1lwh h PRO 603 CO 0.95 0.16 0.30 1.96 -0.23 0.00 0.00 178.00 181.14 1lwh h GLN 604 N 0.25 1.06 -0.75 0.86 4.20 -1.93 0.09 115.11 118.89 1lwh h GLN 604 Ca 0.40 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.87 1lwh h GLN 604 Cb 1.19 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.77 1lwh h GLN 604 CO -0.10 0.87 0.26 0.28 -0.67 0.00 0.00 178.83 179.47 1lwh h VAL 605 N 1.02 1.26 0.19 -0.54 2.07 -1.51 0.44 116.25 119.18 1lwh h VAL 605 Ca 0.24 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 1lwh h VAL 605 Cb 0.19 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1lwh h VAL 605 CO -0.02 0.35 -0.09 0.15 0.02 0.00 0.00 177.57 177.97 1lwh h PHE 606 N 1.11 -0.24 0.13 1.57 3.57 -1.17 -1.38 116.94 120.53 1lwh h PHE 606 Ca 0.24 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 1lwh h PHE 606 Cb 0.27 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1lwh h PHE 606 CO 0.02 -0.12 -0.06 -0.44 -2.23 0.00 0.00 178.31 175.48 1lwh h ASP 607 N -0.29 -0.15 -0.73 0.41 3.32 -0.72 0.24 116.42 118.49 1lwh h ASP 607 Ca -0.03 -0.06 0.11 0.00 0.02 0.00 0.00 57.03 57.07 1lwh h ASP 607 Cb 0.23 0.04 -0.12 0.00 0.22 0.00 0.00 39.33 39.69 1lwh h ASP 607 CO 0.04 -0.04 -0.42 -0.08 -1.72 0.00 0.00 179.24 177.02 1lwh h GLU 608 N -0.25 -0.13 0.00 3.56 4.57 -0.01 -0.73 114.58 121.59 1lwh h GLU 608 Ca -0.02 0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.02 1lwh h GLU 608 Cb 0.20 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1lwh h GLU 608 CO 0.03 -0.09 -0.73 0.52 -1.18 0.00 0.00 179.01 177.57 1lwh h MET 609 N -0.14 0.00 -0.65 1.92 2.86 -1.03 -3.05 114.93 114.85 1lwh h MET 609 Ca 0.23 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.89 1lwh h MET 609 Cb 0.55 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1lwh h MET 609 CO -0.79 0.73 0.43 -0.22 1.06 0.00 0.00 176.91 178.11 1lwh h LYS 610 N 0.00 0.80 -0.22 1.72 1.63 0.90 -2.03 116.57 119.38 1lwh h LYS 610 Ca -0.01 -0.05 -0.19 0.00 -0.85 0.00 0.00 60.65 59.55 1lwh h LYS 610 Cb 1.29 -0.18 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 1lwh h LYS 610 CO 0.09 0.53 -0.62 -0.09 -3.45 0.00 0.00 179.45 175.91 1lwh h ARG 611 N 0.83 0.76 -0.23 1.90 1.12 -1.19 -2.71 114.38 114.85 1lwh h ARG 611 Ca 0.25 -0.52 0.02 0.00 -1.11 0.00 0.00 59.98 58.62 1lwh h ARG 611 Cb -0.02 0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.00 1lwh h ARG 611 CO -0.06 1.15 0.08 1.25 -3.11 0.00 0.00 179.97 179.27 1lwh h LEU 612 N 0.56 0.09 -0.38 3.80 5.85 -1.30 0.93 115.31 124.86 1lwh h LEU 612 Ca -0.01 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.81 1lwh h LEU 612 Cb 1.22 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.19 1lwh h LEU 612 CO 0.13 0.08 -0.10 0.58 -0.34 0.00 0.00 178.44 178.79 1lwh h VAL 613 N 0.18 0.60 -0.12 1.05 2.07 -1.33 0.89 116.25 119.59 1lwh h VAL 613 Ca 0.10 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.63 1lwh h VAL 613 Cb 0.07 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1lwh h VAL 613 CO -0.10 0.00 0.05 -0.07 0.02 0.00 0.00 177.57 177.46 1lwh h LEU 614 N -0.01 0.06 -0.65 2.57 -0.00 -1.14 0.50 115.31 116.64 1lwh h LEU 614 Ca 0.18 0.01 0.14 0.00 -0.00 0.00 0.00 57.88 58.21 1lwh h LEU 614 Cb 0.29 -0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 40.85 1lwh h LEU 614 CO -0.40 0.05 0.05 -0.74 -0.00 0.00 0.00 178.44 177.40 1lwh h HIS 615 N 0.11 0.04 -0.22 1.13 2.76 0.23 0.46 115.15 119.66 1lwh h HIS 615 Ca 0.05 0.04 -0.14 0.00 -2.20 0.00 0.00 60.37 58.13 1lwh h HIS 615 Cb 0.02 0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.06 1lwh h HIS 615 CO -0.10 -0.14 -0.40 -0.07 -1.30 0.00 0.00 177.93 175.92 1lwh h LEU 616 N 0.16 0.73 -1.49 0.26 4.07 -0.53 -2.95 115.31 115.54 1lwh h LEU 616 Ca 0.35 -0.54 -0.04 0.00 0.08 0.00 0.00 57.88 57.73 1lwh h LEU 616 Cb 0.57 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 1lwh h LEU 616 CO -0.52 1.13 -0.06 -0.07 -1.08 0.00 0.00 178.44 177.83 1lwh h LEU 617 N 0.36 0.23 -1.16 1.67 3.38 -0.12 -1.40 115.31 118.27 1lwh h LEU 617 Ca 0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1lwh h LEU 617 Cb 0.99 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1lwh h LEU 617 CO 0.09 0.33 0.41 0.44 0.09 0.00 0.00 178.44 179.80 1lwh h ASP 618 N 0.25 0.87 0.27 -0.43 3.32 0.04 -1.53 116.42 119.20 1lwh h ASP 618 Ca 0.05 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1lwh h ASP 618 Cb 0.27 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1lwh h ASP 618 CO 0.01 0.69 0.00 0.23 -1.72 0.00 0.00 179.24 178.45 1lwh n MET 619 N -4.37 0.24 0.00 3.56 2.81 -0.55 -4.82 117.12 113.99 1lwh n MET 619 Ca 0.07 0.13 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 1lwh n MET 619 Cb 0.09 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.10 1lwh n MET 619 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1lwh n GLY 620 N 0.01 0.94 3.72 3.03 0.00 -0.58 -4.95 105.19 107.36 1lwh n GLY 620 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1lwh n GLY 620 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lwh s VAL 621 N -2.00 3.34 -1.98 1.61 1.01 -1.10 -4.84 120.40 116.44 1lwh s VAL 621 Ca 0.00 0.96 0.29 0.00 0.00 0.00 0.00 61.98 63.23 1lwh s VAL 621 Cb 0.00 -3.62 0.53 0.00 0.00 0.00 0.00 36.38 33.29 1lwh s VAL 621 CO 0.00 0.08 1.84 0.47 0.00 0.00 0.00 175.10 177.48 1lwh n ASP 622 N 3.93 0.79 0.00 3.32 8.00 -0.05 -4.51 116.55 128.04 1lwh n ASP 622 Ca 0.11 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.64 1lwh n ASP 622 Cb 0.42 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 1lwh n ASP 622 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lwh n GLY 623 N 1.21 -0.33 3.20 0.44 0.00 -1.22 -1.38 105.19 107.11 1lwh n GLY 623 Ca 0.17 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 1lwh n GLY 623 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lwh s PHE 624 N -2.00 1.05 -0.21 1.61 0.08 0.46 -1.60 117.98 117.36 1lwh s PHE 624 Ca 0.00 -1.02 0.02 0.00 0.12 0.00 0.00 56.93 56.04 1lwh s PHE 624 Cb 0.00 -0.60 0.04 0.00 -0.57 0.00 0.00 43.02 41.89 1lwh s PHE 624 CO 0.00 -0.24 -0.12 0.50 -0.10 0.00 0.00 175.22 175.26 1lwh s ARG 625 N -3.91 2.27 -0.24 0.44 3.00 -0.99 -0.89 118.95 118.62 1lwh s ARG 625 Ca 0.20 -1.00 -0.13 0.00 -1.00 0.00 0.00 55.73 53.80 1lwh s ARG 625 Cb 0.06 -2.59 -0.04 0.00 0.00 0.00 0.00 34.95 32.37 1lwh s ARG 625 CO 0.01 -0.43 0.27 -0.06 0.00 0.00 0.00 175.30 175.09 1lwh s PHE 626 N 1.29 3.30 0.46 5.12 0.40 0.13 -0.95 117.98 127.73 1lwh s PHE 626 Ca -0.02 0.36 -0.02 0.00 -0.60 0.00 0.00 56.93 56.64 1lwh s PHE 626 Cb -0.17 -2.42 -0.02 0.00 0.51 0.00 0.00 43.02 40.93 1lwh s PHE 626 CO -0.08 -0.05 0.71 0.16 0.70 0.00 0.00 175.22 176.66 1lwh s ASP 627 N 1.27 6.00 -0.71 1.36 -4.77 -1.26 -4.05 116.67 114.50 1lwh s ASP 627 Ca 0.12 0.55 -0.05 0.00 -3.30 0.00 0.00 52.55 49.88 1lwh s ASP 627 Cb -0.15 -1.85 0.04 0.00 -1.09 0.00 0.00 42.92 39.88 1lwh s ASP 627 CO 0.07 -0.64 0.17 0.00 0.70 0.00 0.00 175.17 175.47 1lwh n ALA 628 N -2.14 -0.99 0.26 2.11 0.00 -1.26 -4.71 120.51 113.77 1lwh n ALA 628 Ca 0.00 0.01 0.17 0.00 0.00 0.00 0.00 53.44 53.62 1lwh n ALA 628 Cb 0.57 -1.41 0.91 0.00 0.00 0.00 0.00 19.45 19.51 1lwh n ALA 628 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lwh h ALA 629 N 0.98 1.02 0.00 0.00 0.00 -1.73 -1.44 119.26 118.08 1lwh h ALA 629 Ca -0.22 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1lwh h ALA 629 Cb 1.15 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1lwh h ALA 629 CO 0.29 -0.02 -0.34 -0.22 0.00 0.00 0.00 179.25 178.96 1lwh h LYS 630 N 0.00 0.00 -0.89 0.00 3.64 -1.86 -3.33 116.57 114.13 1lwh h LYS 630 Ca 0.00 0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.93 1lwh h LYS 630 Cb 0.04 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 31.59 1lwh h LYS 630 CO 0.00 0.26 0.52 0.72 -2.27 0.00 0.00 179.45 178.68 1lwh n HIS 631 N -3.14 2.74 0.02 1.91 8.25 -0.54 -4.58 115.22 119.88 1lwh n HIS 631 Ca 0.02 -1.78 -0.10 0.00 -0.26 0.00 0.00 57.72 55.61 1lwh n HIS 631 Cb 0.64 -0.87 0.05 0.00 1.12 0.00 0.00 29.99 30.94 1lwh n HIS 631 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1lwh h MET 632 N 1.10 0.52 -5.62 -0.41 2.86 -1.69 -3.44 114.93 108.25 1lwh h MET 632 Ca 0.55 -0.35 -0.46 0.00 -2.06 0.00 0.00 59.70 57.39 1lwh h MET 632 Cb 2.66 0.05 -0.20 0.00 0.06 0.00 0.00 31.60 34.17 1lwh h MET 632 CO 0.98 0.96 -0.78 1.03 1.06 0.00 0.00 176.91 180.16 1lwh s ARG 633 N -3.91 1.00 0.40 1.72 1.81 -1.26 -4.50 118.95 114.21 1lwh s ARG 633 Ca -0.07 -1.13 0.12 0.00 -1.72 0.00 0.00 55.73 52.93 1lwh s ARG 633 Cb 0.11 -1.03 0.94 0.00 -0.45 0.00 0.00 34.95 34.52 1lwh s ARG 633 CO 0.84 0.22 1.92 -0.44 -0.68 0.00 0.00 175.30 177.17 1lwh h ASP 634 N 3.91 0.49 -3.83 0.23 3.45 -1.94 -3.41 116.42 115.32 1lwh h ASP 634 Ca -0.42 0.02 -0.68 0.00 0.43 0.00 0.00 57.03 56.38 1lwh h ASP 634 Cb 1.19 -0.08 -0.27 0.00 -0.56 0.00 0.00 39.33 39.61 1lwh h ASP 634 CO 0.44 0.27 -0.81 0.42 -1.57 0.00 0.00 179.24 177.99 1lwh s THR 635 N -5.51 2.68 -0.27 0.35 -4.23 -1.26 -5.01 115.64 102.39 1lwh s THR 635 Ca -0.09 -0.84 0.17 0.00 -1.18 0.00 0.00 61.69 59.75 1lwh s THR 635 Cb 0.21 -2.05 0.17 0.00 1.34 0.00 0.00 72.50 72.17 1lwh s THR 635 CO 0.77 0.56 1.49 0.00 -0.54 0.00 0.00 174.62 176.91 1lwh n ILE 636 N 2.89 1.09 0.12 2.99 3.06 -1.26 0.30 119.36 128.55 1lwh n ILE 636 Ca -0.18 0.70 0.03 0.00 -2.50 0.00 0.00 62.75 60.81 1lwh n ILE 636 Cb 0.52 -1.70 0.01 0.00 0.54 0.00 0.00 39.64 39.01 1lwh n ILE 636 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 1lwh h GLU 637 N 0.00 0.00 0.18 9.51 3.07 -1.94 -3.18 114.58 122.21 1lwh h GLU 637 Ca 0.00 0.00 -0.34 0.00 -0.50 0.00 0.00 59.36 58.52 1lwh h GLU 637 Cb 0.12 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.04 1lwh h GLU 637 CO 0.00 0.42 -1.67 1.96 -1.40 0.00 0.00 179.01 178.32 1lwh h GLN 638 N 0.00 0.39 -0.11 2.33 4.20 -0.52 -3.23 115.11 118.16 1lwh h GLN 638 Ca -0.03 -0.66 0.04 0.00 0.06 0.00 0.00 58.65 58.06 1lwh h GLN 638 Cb 1.38 0.25 -0.05 0.00 0.30 0.00 0.00 27.48 29.36 1lwh h GLN 638 CO 0.06 1.32 -0.19 -0.97 -0.67 0.00 0.00 178.83 178.37 1lwh h ASN 639 N 0.04 -0.60 -0.76 1.46 -1.24 -1.39 0.58 115.58 113.68 1lwh h ASN 639 Ca -0.33 0.10 0.10 0.00 0.71 0.00 0.00 56.30 56.88 1lwh h ASN 639 Cb 2.05 0.27 -0.07 0.00 0.73 0.00 0.00 38.32 41.30 1lwh h ASN 639 CO 0.17 -0.25 0.39 0.58 -1.29 0.00 0.00 177.43 177.03 1lwh h VAL 640 N -0.26 0.84 -0.19 2.57 2.07 -1.70 -0.72 116.25 118.88 1lwh h VAL 640 Ca 0.09 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.41 1lwh h VAL 640 Cb 0.39 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1lwh h VAL 640 CO -0.26 0.12 0.05 0.03 0.02 0.00 0.00 177.57 177.53 1lwh h ARG 641 N 0.65 0.13 0.00 1.57 2.47 -1.28 -1.68 114.38 116.25 1lwh h ARG 641 Ca 0.38 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.09 1lwh h ARG 641 Cb 0.40 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.69 1lwh h ARG 641 CO -0.28 0.09 0.00 0.34 0.56 0.00 0.00 179.97 180.68 1lwh n PHE 642 N -5.06 0.00 -0.38 3.04 7.35 0.09 -1.89 117.46 120.60 1lwh n PHE 642 Ca -0.03 0.00 0.34 0.00 -0.76 0.00 0.00 57.45 57.00 1lwh n PHE 642 Cb 0.08 -0.28 0.68 0.00 0.35 0.00 0.00 39.48 40.30 1lwh n PHE 642 CO 0.00 0.00 0.00 -1.49 -0.76 0.00 0.00 176.76 174.51 1lwh h TRP 643 N 0.00 0.26 -0.22 -5.13 4.06 -1.36 0.51 115.95 114.07 1lwh h TRP 643 Ca 0.00 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.95 1lwh h TRP 643 Cb 0.00 -0.07 -0.01 0.00 -1.00 0.00 0.00 29.16 28.08 1lwh h TRP 643 CO -0.23 -0.02 0.09 -0.22 -3.56 0.00 0.00 178.44 174.50 1lwh h LYS 644 N 0.12 0.33 -0.09 0.49 3.64 -0.78 -1.94 116.57 118.36 1lwh h LYS 644 Ca 0.65 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.80 1lwh h LYS 644 Cb 2.26 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 34.03 1lwh h LYS 644 CO -0.15 0.39 -0.59 1.88 -2.27 0.00 0.00 179.45 178.71 1lwh h TYR 645 N 0.20 0.76 0.24 1.91 -1.99 0.58 0.11 116.97 118.77 1lwh h TYR 645 Ca 0.07 -0.35 0.00 0.00 2.00 0.00 0.00 58.73 60.45 1lwh h TYR 645 Cb 0.18 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 1lwh h TYR 645 CO -0.01 1.15 -0.21 0.35 -0.00 0.00 0.00 178.16 179.44 1lwh h PHE 646 N 0.16 -0.55 0.00 4.88 3.57 -0.73 -3.01 116.94 121.26 1lwh h PHE 646 Ca -0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1lwh h PHE 646 Cb 1.24 0.21 0.00 0.00 2.79 0.00 0.00 35.95 40.19 1lwh h PHE 646 CO 0.11 -0.32 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.74 1lwh h LEU 647 N -0.47 0.00 -0.44 0.59 3.38 -1.45 -3.41 115.31 113.51 1lwh h LEU 647 Ca -0.01 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1lwh h LEU 647 Cb 0.43 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1lwh h LEU 647 CO -0.03 0.01 -0.26 -1.54 0.09 0.00 0.00 178.44 176.70 1lwh n SER 648 N -2.61 -0.47 -1.71 -0.43 3.41 0.36 -1.60 113.62 110.57 1lwh n SER 648 Ca 0.05 0.88 0.07 0.00 -0.26 0.00 0.00 58.87 59.61 1lwh n SER 648 Cb 0.48 -0.15 0.36 0.00 -0.26 0.00 0.00 64.21 64.64 1lwh n SER 648 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1lwh n ASP 649 N -4.29 5.12 -4.61 4.04 5.75 -1.26 -4.97 116.55 116.33 1lwh n ASP 649 Ca 0.01 -2.74 -0.25 0.00 -0.01 0.00 0.00 54.79 51.80 1lwh n ASP 649 Cb 0.11 -0.64 -0.08 0.00 -1.03 0.00 0.00 41.12 39.48 1lwh n ASP 649 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1lwh s LEU 650 N -2.32 3.08 -0.09 -2.12 1.43 -0.63 -5.14 118.68 112.90 1lwh s LEU 650 Ca 0.49 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 53.02 1lwh s LEU 650 Cb 0.36 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.90 1lwh s LEU 650 CO 0.17 0.06 -0.15 -0.75 0.23 0.00 0.00 176.35 175.91 1lwh s LYS 651 N -3.17 2.10 0.00 1.70 2.20 -1.26 -5.03 119.74 116.27 1lwh s LYS 651 Ca 0.28 -0.53 0.00 0.00 -0.36 0.00 0.00 55.97 55.36 1lwh s LYS 651 Cb -0.08 -1.75 0.00 0.00 -1.51 0.00 0.00 37.83 34.49 1lwh s LYS 651 CO 0.17 -0.01 0.00 0.41 -0.36 0.00 0.00 175.35 175.56 1lwh n GLY 652 N 4.03 -2.24 3.57 5.54 0.00 -1.26 -4.94 105.19 109.89 1lwh n GLY 652 Ca -0.20 -1.21 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1lwh n GLY 652 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lwh s ILE 653 N -2.14 4.68 -0.34 -0.61 1.01 -0.48 -4.96 121.20 118.37 1lwh s ILE 653 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.43 1lwh s ILE 653 Cb 0.00 -4.26 0.08 0.00 0.01 0.00 0.00 42.46 38.29 1lwh s ILE 653 CO 0.00 -0.54 0.06 -0.36 0.00 0.00 0.00 174.94 174.09 1lwh s PHE 654 N 3.22 3.49 0.03 3.97 2.99 -1.26 -0.40 117.98 130.03 1lwh s PHE 654 Ca 0.32 -2.39 -0.15 0.00 0.00 0.00 0.00 56.93 54.71 1lwh s PHE 654 Cb -0.13 -2.63 -0.06 0.00 0.00 0.00 0.00 43.02 40.21 1lwh s PHE 654 CO 0.19 -0.90 0.46 -0.51 -0.00 0.00 0.00 175.22 174.46 1lwh s LEU 655 N 1.11 4.47 0.13 -0.37 1.02 -0.07 -4.00 118.68 120.97 1lwh s LEU 655 Ca 0.02 1.03 -0.16 0.00 0.02 0.00 0.00 54.13 55.05 1lwh s LEU 655 Cb -0.20 -2.74 0.03 0.00 0.02 0.00 0.00 46.19 43.30 1lwh s LEU 655 CO -0.04 0.29 0.41 0.00 0.02 0.00 0.00 176.35 177.02 1lwh s ALA 656 N -1.14 -0.91 -0.24 4.21 0.00 -1.26 -0.69 121.76 121.72 1lwh s ALA 656 Ca 0.27 -0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.15 1lwh s ALA 656 Cb -0.17 0.71 0.04 0.00 0.00 0.00 0.00 23.12 23.70 1lwh s ALA 656 CO 0.16 -0.66 -0.10 -2.00 0.00 0.00 0.00 175.76 173.15 1lwh s GLU 657 N -3.81 2.58 -0.31 0.00 2.12 -1.26 -1.38 118.70 116.64 1lwh s GLU 657 Ca 0.04 -1.13 0.01 0.00 0.36 0.00 0.00 54.97 54.25 1lwh s GLU 657 Cb 0.02 -2.88 0.10 0.00 0.26 0.00 0.00 34.13 31.62 1lwh s GLU 657 CO -0.11 -0.45 0.07 -1.50 -0.54 0.00 0.00 175.26 172.73 1lwh s ILE 658 N 1.22 1.34 0.00 -3.70 -1.16 -1.26 -4.03 121.20 113.60 1lwh s ILE 658 Ca -0.03 -1.66 0.00 0.00 -0.51 0.00 0.00 60.65 58.45 1lwh s ILE 658 Cb -0.18 -1.97 0.00 0.00 0.61 0.00 0.00 42.46 40.92 1lwh s ILE 658 CO -0.06 -0.61 1.02 1.87 -2.81 0.00 0.00 174.94 174.35 1lwh n TRP 659 N 4.66 0.00 0.69 3.50 -0.00 -1.26 -4.43 117.44 120.60 1lwh n TRP 659 Ca -0.01 -0.51 0.00 0.00 -0.00 0.00 0.00 57.50 56.98 1lwh n TRP 659 Cb 0.42 -0.27 0.00 0.00 -0.00 0.00 0.00 31.31 31.46 1lwh n TRP 659 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1lwh n ALA 660 N 0.75 2.07 -4.07 5.87 0.00 -1.26 -4.82 120.51 119.06 1lwh n ALA 660 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1lwh n ALA 660 Cb 0.43 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1lwh n ALA 660 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1lwh n GLU 661 N 0.27 -0.62 -0.87 0.00 -0.58 -1.26 -1.17 120.64 116.42 1lwh n GLU 661 Ca 0.00 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 1lwh n GLU 661 Cb 0.21 -2.98 0.00 0.00 -0.57 0.00 0.00 31.44 28.10 1lwh n GLU 661 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1lwh n ALA 662 N -4.85 0.00 -1.16 0.62 0.00 -1.26 -4.91 120.51 108.95 1lwh n ALA 662 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1lwh n ALA 662 Cb 0.59 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1lwh n ALA 662 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1lwh n ARG 663 N -1.78 0.00 0.21 0.00 0.00 -0.31 -4.53 116.66 110.24 1lwh n ARG 663 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 57.99 1lwh n ARG 663 Cb 0.07 -0.18 0.46 0.00 -0.00 0.00 0.00 32.46 32.81 1lwh n ARG 663 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.63 179.61 1lwh h MET 664 N 0.00 0.00 -1.28 2.89 1.85 -1.91 -3.28 114.93 113.20 1lwh h MET 664 Ca 0.00 0.00 0.41 0.00 -0.61 0.00 0.00 59.70 59.50 1lwh h MET 664 Cb 0.00 0.00 -0.12 0.00 0.43 0.00 0.00 31.60 31.91 1lwh h MET 664 CO 0.00 0.00 0.82 0.28 -0.40 0.00 0.00 176.91 177.61 1lwh h VAL 665 N 0.00 0.18 0.00 -5.77 2.07 -1.80 0.61 116.25 111.55 1lwh h VAL 665 Ca 0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1lwh h VAL 665 Cb 0.66 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1lwh h VAL 665 CO 0.00 0.02 -0.22 0.44 0.02 0.00 0.00 177.57 177.83 1lwh h ASP 666 N 0.13 0.00 -0.13 0.57 3.32 -1.80 -2.63 116.42 115.88 1lwh h ASP 666 Ca 0.78 -0.04 -0.23 0.00 0.02 0.00 0.00 57.03 57.57 1lwh h ASP 666 Cb 2.41 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.97 1lwh h ASP 666 CO -0.40 0.02 -0.81 -0.08 -1.72 0.00 0.00 179.24 176.26 1lwh h GLU 667 N 0.00 0.77 0.00 3.56 4.81 -0.01 -2.94 114.58 120.78 1lwh h GLU 667 Ca 0.00 -0.66 -0.11 0.00 -0.13 0.00 0.00 59.36 58.46 1lwh h GLU 667 Cb 0.85 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 1lwh h GLU 667 CO 0.00 1.26 -0.54 0.45 -0.73 0.00 0.00 179.01 179.46 1lwh h HIS 668 N 0.50 0.00 -0.14 0.92 3.86 -1.56 -3.23 115.15 115.51 1lwh h HIS 668 Ca -0.06 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.08 1lwh h HIS 668 Cb 1.44 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.90 1lwh h HIS 668 CO 0.09 0.54 -0.20 0.78 0.86 0.00 0.00 177.93 180.00 1lwh h GLY 669 N 2.44 0.25 2.00 2.45 0.00 -1.33 -1.46 103.07 107.43 1lwh h GLY 669 Ca -0.01 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 1lwh h GLY 669 CO 0.07 0.16 -0.40 -0.09 0.00 0.00 0.00 176.54 176.28 1lwh h ARG 670 N 0.22 0.00 0.20 4.80 2.43 -1.53 -1.04 114.38 119.46 1lwh h ARG 670 Ca 0.04 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.86 1lwh h ARG 670 Cb 0.48 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1lwh h ARG 670 CO 0.03 0.40 -1.68 0.82 -1.51 0.00 0.00 179.97 178.03 1lwh h ILE 671 N 0.00 1.02 0.14 1.20 2.04 -1.51 -3.38 117.51 117.02 1lwh h ILE 671 Ca -0.00 -2.55 -0.35 0.00 1.00 0.00 0.00 64.86 62.95 1lwh h ILE 671 Cb 0.88 2.83 -0.01 0.00 -0.74 0.00 0.00 36.82 39.78 1lwh h ILE 671 CO 0.05 0.85 -1.88 -0.26 0.00 0.00 0.00 178.15 176.91 1lwh h PHE 672 N 0.11 0.54 0.00 1.37 -1.00 -1.37 -3.48 116.94 113.11 1lwh h PHE 672 Ca -0.32 -0.40 0.00 0.00 2.81 0.00 0.00 57.97 60.06 1lwh h PHE 672 Cb 2.11 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 41.65 1lwh h PHE 672 CO 0.11 1.69 0.00 0.41 -1.61 0.00 0.00 178.31 178.91 1lwh n GLY 673 N 1.91 1.49 2.89 -1.45 0.00 -0.39 -4.13 105.19 105.50 1lwh n GLY 673 Ca -0.28 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 1lwh n GLY 673 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1lwh s TYR 674 N -2.68 0.05 -0.05 1.61 2.02 -1.26 -2.26 117.35 114.79 1lwh s TYR 674 Ca 0.00 -0.05 -0.01 0.00 -0.37 0.00 0.00 57.07 56.64 1lwh s TYR 674 Cb 0.00 -0.03 0.03 0.00 -0.40 0.00 0.00 41.96 41.55 1lwh s TYR 674 CO 0.00 -0.02 0.02 1.41 -1.57 0.00 0.00 175.55 175.39 1lwh s MET 675 N -0.14 0.35 -0.48 -0.62 1.75 -0.39 -4.19 119.30 115.57 1lwh s MET 675 Ca -0.01 0.17 -0.27 0.00 -1.25 0.00 0.00 55.69 54.32 1lwh s MET 675 Cb -0.01 -0.72 -0.02 0.00 2.84 0.00 0.00 34.83 36.92 1lwh s MET 675 CO -0.00 -0.26 1.86 -0.51 -0.65 0.00 0.00 175.02 175.46 1lwh s LEU 676 N 1.76 3.40 -1.31 4.11 1.43 -0.48 0.36 118.68 127.94 1lwh s LEU 676 Ca 0.01 0.80 -0.17 0.00 -1.03 0.00 0.00 54.13 53.74 1lwh s LEU 676 Cb -0.13 -2.96 0.04 0.00 0.03 0.00 0.00 46.19 43.17 1lwh s LEU 676 CO -0.04 -2.11 1.90 -3.20 0.23 0.00 0.00 176.35 173.14 1lwh n ASN 677 N 11.83 4.37 0.27 2.29 4.05 -0.45 -4.74 115.26 132.89 1lwh n ASN 677 Ca 0.22 -2.87 0.10 0.00 0.45 0.00 0.00 54.58 52.49 1lwh n ASN 677 Cb 0.50 -1.69 0.72 0.00 1.23 0.00 0.00 39.78 40.54 1lwh n ASN 677 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 177.26 173.95 1lwh h PHE 678 N 7.32 0.00 0.00 1.20 -1.00 -1.89 -2.87 116.94 119.70 1lwh h PHE 678 Ca 0.46 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.24 1lwh h PHE 678 Cb 0.80 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.36 1lwh h PHE 678 CO 1.41 0.04 0.00 -3.47 -1.61 0.00 0.00 178.31 174.68 1lwh n ASP 679 N -4.20 0.00 0.27 2.17 -0.08 -1.26 -2.46 116.55 110.99 1lwh n ASP 679 Ca -0.03 0.62 0.12 0.00 -1.51 0.00 0.00 54.79 53.99 1lwh n ASP 679 Cb 0.12 -0.12 0.78 0.00 2.34 0.00 0.00 41.12 44.25 1lwh n ASP 679 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1lwh h THR 680 N 0.00 0.75 -0.40 5.18 2.02 -1.87 -0.98 112.91 117.61 1lwh h THR 680 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1lwh h THR 680 Cb 0.00 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1lwh h THR 680 CO 0.00 0.00 0.08 0.28 0.37 0.00 0.00 175.52 176.25 1lwh h SER 681 N 0.00 0.55 0.19 4.18 0.02 -1.56 -1.44 113.55 115.48 1lwh h SER 681 Ca 0.01 -0.08 -0.25 0.00 -0.84 0.00 0.00 61.79 60.62 1lwh h SER 681 Cb 0.04 -0.14 0.03 0.00 0.14 0.00 0.00 62.40 62.47 1lwh h SER 681 CO -0.00 0.56 -1.11 -0.74 -1.14 0.00 0.00 176.83 174.40 1lwh h HIS 682 N 0.58 0.73 0.00 3.45 -0.00 -0.86 -3.34 115.15 115.71 1lwh h HIS 682 Ca 0.13 -0.54 -0.01 0.00 -0.00 0.00 0.00 60.37 59.96 1lwh h HIS 682 Cb 0.24 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 27.62 1lwh h HIS 682 CO 0.01 1.43 -0.05 0.00 -0.00 0.00 0.00 177.93 179.32 1lwh h ILE 684 N 0.00 1.30 -0.55 0.00 2.04 -1.39 -0.66 117.51 118.24 1lwh h ILE 684 Ca -0.00 -0.87 -0.09 0.00 1.00 0.00 0.00 64.86 64.90 1lwh h ILE 684 Cb 0.12 1.88 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1lwh h ILE 684 CO 0.01 0.23 -0.00 0.11 0.00 0.00 0.00 178.15 178.49 1lwh h LYS 685 N -0.36 0.95 0.26 2.37 1.57 -1.49 -1.78 116.57 118.09 1lwh h LYS 685 Ca 0.00 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1lwh h LYS 685 Cb 0.37 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1lwh h LYS 685 CO 0.00 0.94 -0.12 1.49 -0.57 0.00 0.00 179.45 181.19 1lwh h GLU 686 N 0.88 -0.33 0.23 3.15 4.81 -0.82 -2.40 114.58 120.09 1lwh h GLU 686 Ca 0.16 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1lwh h GLU 686 Cb 0.52 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 1lwh h GLU 686 CO 0.03 -0.16 -0.38 0.00 -0.73 0.00 0.00 179.01 177.76 1lwh h ALA 687 N 0.30 -0.73 -0.99 2.92 0.00 -1.03 -2.02 119.26 117.70 1lwh h ALA 687 Ca -0.04 -0.09 0.24 0.00 0.00 0.00 0.00 54.91 55.02 1lwh h ALA 687 Cb 0.32 0.60 -0.12 0.00 0.00 0.00 0.00 17.79 18.59 1lwh h ALA 687 CO 0.06 -0.97 0.57 0.28 0.00 0.00 0.00 179.25 179.19 1lwh h VAL 688 N -0.68 0.53 -0.11 0.00 2.07 -1.33 0.60 116.25 117.33 1lwh h VAL 688 Ca 0.00 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 1lwh h VAL 688 Cb 0.67 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1lwh h VAL 688 CO -0.16 0.10 -0.26 -0.25 0.02 0.00 0.00 177.57 177.03 1lwh h TRP 689 N 0.56 0.21 0.00 1.57 7.01 -0.88 -3.06 115.95 121.35 1lwh h TRP 689 Ca 0.63 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.60 1lwh h TRP 689 Cb 1.21 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 28.21 1lwh h TRP 689 CO -0.02 0.44 -1.05 1.63 -2.79 0.00 0.00 178.44 176.64 1lwh n LYS 690 N -4.17 1.15 -2.91 2.65 5.02 -0.09 -4.97 118.16 114.85 1lwh n LYS 690 Ca -0.01 -0.04 -0.21 0.00 -2.02 0.00 0.00 58.31 56.03 1lwh n LYS 690 Cb 0.35 -1.33 0.03 0.00 -0.02 0.00 0.00 35.03 34.06 1lwh n LYS 690 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1lwh n GLU 691 N -1.58 -4.31 -3.74 1.97 1.02 0.19 -4.98 120.64 109.21 1lwh n GLU 691 Ca 0.02 0.88 -0.28 0.00 -0.02 0.00 0.00 57.16 57.75 1lwh n GLU 691 Cb 0.31 -5.62 -0.16 0.00 -0.02 0.00 0.00 31.44 25.95 1lwh n GLU 691 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1lwh s ASN 692 N -2.65 3.21 0.00 1.62 3.84 -1.15 -4.46 114.94 115.35 1lwh s ASN 692 Ca 0.25 -1.02 0.01 0.00 0.21 0.00 0.00 52.86 52.31 1lwh s ASN 692 Cb -0.11 -0.67 0.04 0.00 -0.55 0.00 0.00 41.25 39.96 1lwh s ASN 692 CO 0.32 -0.33 0.24 0.35 -2.79 0.00 0.00 177.10 174.88 1lwh n THR 693 N 5.00 0.00 0.39 -5.21 -2.24 -0.87 -4.05 114.28 107.30 1lwh n THR 693 Ca -0.08 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.53 1lwh n THR 693 Cb 0.46 -0.62 -0.08 0.00 -2.10 0.00 0.00 70.33 67.98 1lwh n THR 693 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1lwh h ARG 694 N 0.00 -0.95 -0.52 -0.78 2.43 -1.88 -2.88 114.38 109.80 1lwh h ARG 694 Ca 0.00 0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1lwh h ARG 694 Cb 0.00 0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 1lwh h ARG 694 CO 0.00 -0.61 0.35 -0.39 -1.51 0.00 0.00 179.97 177.81 1lwh h VAL 695 N -1.12 1.09 -0.27 0.20 -1.51 -1.93 -2.33 116.25 110.37 1lwh h VAL 695 Ca -0.10 -0.22 -0.16 0.00 -1.23 0.00 0.00 66.70 64.99 1lwh h VAL 695 Cb 0.78 0.40 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 1lwh h VAL 695 CO 0.17 0.12 -0.48 0.25 -1.23 0.00 0.00 177.57 176.40 1lwh h LEU 696 N 0.64 0.80 -0.11 4.19 5.85 -1.76 -0.09 115.31 124.82 1lwh h LEU 696 Ca 0.20 -0.40 -0.09 0.00 0.84 0.00 0.00 57.88 58.44 1lwh h LEU 696 Cb 0.03 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.83 1lwh h LEU 696 CO -0.05 1.15 -0.27 0.40 -0.34 0.00 0.00 178.44 179.32 1lwh h ILE 697 N 0.58 1.39 -0.22 4.05 2.04 -1.29 0.28 117.51 124.34 1lwh h ILE 697 Ca 0.03 -1.58 -0.11 0.00 1.00 0.00 0.00 64.86 64.20 1lwh h ILE 697 Cb 1.04 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 39.23 1lwh h ILE 697 CO 0.10 0.46 -0.35 1.05 0.00 0.00 0.00 178.15 179.42 1lwh h GLU 698 N -0.05 0.48 -0.29 2.37 4.11 -1.49 -1.24 114.58 118.47 1lwh h GLU 698 Ca -0.00 -0.21 -0.07 0.00 0.07 0.00 0.00 59.36 59.14 1lwh h GLU 698 Cb 0.88 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1lwh h GLU 698 CO 0.06 0.76 -0.11 1.03 0.07 0.00 0.00 179.01 180.82 1lwh h SER 699 N 0.41 0.59 -0.79 3.06 0.87 -0.91 -1.12 113.55 115.66 1lwh h SER 699 Ca 0.05 -0.39 0.01 0.00 -1.23 0.00 0.00 61.79 60.23 1lwh h SER 699 Cb 0.80 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.55 1lwh h SER 699 CO 0.06 0.85 0.52 0.40 -0.53 0.00 0.00 176.83 178.13 1lwh h ILE 700 N 0.33 1.18 0.00 2.23 2.04 -0.26 -0.55 117.51 122.48 1lwh h ILE 700 Ca 0.07 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 65.50 1lwh h ILE 700 Cb 0.61 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1lwh h ILE 700 CO 0.04 0.19 -0.32 -0.08 0.00 0.00 0.00 178.15 177.98 1lwh h GLU 701 N 1.04 0.00 0.22 2.37 4.57 -1.08 -2.49 114.58 119.21 1lwh h GLU 701 Ca 0.30 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 58.13 1lwh h GLU 701 Cb -0.09 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.52 1lwh h GLU 701 CO -0.08 0.32 -1.63 -0.09 -1.18 0.00 0.00 179.01 176.35 1lwh h ARG 702 N 0.00 0.46 0.00 1.92 2.43 -0.38 -3.42 114.38 115.39 1lwh h ARG 702 Ca -0.00 -0.78 -0.09 0.00 -0.81 0.00 0.00 59.98 58.30 1lwh h ARG 702 Cb 0.61 0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 1lwh h ARG 702 CO 0.04 1.37 -1.35 0.00 -1.51 0.00 0.00 179.97 178.52 1lwh n ALA 703 N -2.79 1.87 -0.00 2.80 0.00 -0.29 -4.87 120.51 117.22 1lwh n ALA 703 Ca -0.21 -0.30 -0.21 0.00 0.00 0.00 0.00 53.44 52.73 1lwh n ALA 703 Cb 1.09 0.26 -0.14 0.00 0.00 0.00 0.00 19.45 20.66 1lwh n ALA 703 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1lwh h VAL 704 N 0.00 1.12 -3.10 0.00 2.07 -1.63 -3.46 116.25 111.25 1lwh h VAL 704 Ca -0.14 -2.39 -0.53 0.00 0.82 0.00 0.00 66.70 64.46 1lwh h VAL 704 Cb 1.26 2.76 0.01 0.00 -1.52 0.00 0.00 31.29 33.80 1lwh h VAL 704 CO -0.01 0.66 0.65 -0.63 0.02 0.00 0.00 177.57 178.26 1lwh s ILE 705 N -2.44 3.80 -1.16 4.57 1.01 -0.98 -4.13 121.20 121.87 1lwh s ILE 705 Ca -0.20 1.27 -0.03 0.00 0.00 0.00 0.00 60.65 61.70 1lwh s ILE 705 Cb 0.04 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.69 1lwh s ILE 705 CO 0.75 0.08 0.98 0.00 0.00 0.00 0.00 174.94 176.75 1lwh n ALA 706 N 4.16 -1.68 -2.66 9.38 0.00 -1.26 -4.92 120.51 123.53 1lwh n ALA 706 Ca 0.10 0.08 -0.32 0.00 0.00 0.00 0.00 53.44 53.30 1lwh n ALA 706 Cb 0.45 -3.16 -0.09 0.00 0.00 0.00 0.00 19.45 16.65 1lwh n ALA 706 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1lwh s LYS 707 N -5.55 2.71 -0.17 0.00 -0.14 -1.26 -5.02 119.74 110.32 1lwh s LYS 707 Ca 0.17 -0.65 0.03 0.00 -1.36 0.00 0.00 55.97 54.15 1lwh s LYS 707 Cb -0.07 -2.62 0.30 0.00 -1.68 0.00 0.00 37.83 33.76 1lwh s LYS 707 CO 0.68 0.61 1.29 -0.40 -0.76 0.00 0.00 175.35 176.77 1lwh n ASP 708 N 1.38 3.23 -3.70 2.83 5.75 -1.26 -4.84 116.55 119.94 1lwh n ASP 708 Ca -0.15 -2.60 -0.07 0.00 -0.01 0.00 0.00 54.79 51.96 1lwh n ASP 708 Cb 0.53 -0.63 -0.01 0.00 -1.03 0.00 0.00 41.12 39.98 1lwh n ASP 708 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1lwh s TYR 709 N -1.48 -0.11 -0.27 2.11 1.13 -1.26 -4.73 117.35 112.73 1lwh s TYR 709 Ca 0.24 -0.38 -0.17 0.00 -1.41 0.00 0.00 57.07 55.34 1lwh s TYR 709 Cb 0.19 0.71 -0.03 0.00 -1.10 0.00 0.00 41.96 41.74 1lwh s TYR 709 CO 0.05 -1.29 0.49 -0.51 -2.51 0.00 0.00 175.55 171.78 1lwh s LEU 710 N -2.95 4.07 0.15 -3.49 1.43 -0.96 -4.98 118.68 111.95 1lwh s LEU 710 Ca 0.12 0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 53.36 1lwh s LEU 710 Cb -0.06 -2.61 -0.07 0.00 0.03 0.00 0.00 46.19 43.48 1lwh s LEU 710 CO 0.08 -0.28 0.95 -2.84 0.23 0.00 0.00 176.35 174.48 1lwh s PRO 711 N 2.27 4.74 -0.29 1.29 0.02 -1.26 -1.26 135.00 140.51 1lwh s PRO 711 Ca 0.20 1.45 -0.08 0.00 0.02 0.00 0.00 61.00 62.59 1lwh s PRO 711 Cb -0.16 -3.34 -0.01 0.00 0.02 0.00 0.00 34.50 31.01 1lwh s PRO 711 CO 0.10 0.32 0.11 0.08 -0.33 0.00 0.00 177.00 177.27 1lwh s VAL 712 N -0.39 4.35 -0.26 3.83 1.01 0.16 -0.53 120.40 128.56 1lwh s VAL 712 Ca 0.45 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 61.93 1lwh s VAL 712 Cb -0.24 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 1lwh s VAL 712 CO 0.30 0.16 0.15 0.20 0.00 0.00 0.00 175.10 175.92 1lwh s ASN 713 N 1.59 5.84 0.22 3.32 0.01 0.37 -1.34 114.94 124.95 1lwh s ASN 713 Ca 0.05 -0.02 0.11 0.00 -0.71 0.00 0.00 52.86 52.29 1lwh s ASN 713 Cb -0.16 -2.07 -0.05 0.00 0.41 0.00 0.00 41.25 39.38 1lwh s ASN 713 CO 0.04 -0.01 -0.19 0.72 -1.51 0.00 0.00 177.10 176.16 1lwh s PHE 714 N 1.50 2.39 0.12 2.20 -0.71 -1.26 -0.55 117.98 121.67 1lwh s PHE 714 Ca 0.07 -0.32 -0.13 0.00 -1.04 0.00 0.00 56.93 55.51 1lwh s PHE 714 Cb -0.15 -1.14 -0.07 0.00 -1.21 0.00 0.00 43.02 40.45 1lwh s PHE 714 CO 0.08 0.56 1.44 1.79 -1.34 0.00 0.00 175.22 177.75 1lwh h THR 715 N 2.81 1.29 -1.59 -4.49 1.35 -1.68 -3.45 112.91 107.15 1lwh h THR 715 Ca -0.45 -1.52 0.18 0.00 -0.55 0.00 0.00 66.41 64.08 1lwh h THR 715 Cb 1.22 1.51 -0.03 0.00 -1.73 0.00 0.00 68.15 69.11 1lwh h THR 715 CO 0.53 0.50 0.46 -1.54 -0.25 0.00 0.00 175.52 175.22 1lwh n SER 716 N -4.17 -0.56 -3.55 5.36 3.41 -1.26 -4.43 113.62 108.42 1lwh n SER 716 Ca -0.03 -1.08 -0.10 0.00 -0.26 0.00 0.00 58.87 57.39 1lwh n SER 716 Cb 0.51 0.85 -0.03 0.00 -0.26 0.00 0.00 64.21 65.29 1lwh n SER 716 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1lwh s ASN 717 N -2.42 0.15 0.30 4.04 2.20 -1.26 -4.41 114.94 113.54 1lwh s ASN 717 Ca 0.15 -1.07 0.14 0.00 -0.94 0.00 0.00 52.86 51.15 1lwh s ASN 717 Cb -0.00 0.69 0.78 0.00 -2.00 0.00 0.00 41.25 40.71 1lwh s ASN 717 CO -0.01 -1.33 1.36 0.00 -2.94 0.00 0.00 177.10 174.18 1lwh n HIS 718 N -0.47 0.48 0.22 1.54 1.44 -1.26 -2.22 115.22 114.95 1lwh n HIS 718 Ca -0.03 0.25 0.11 0.00 -2.01 0.00 0.00 57.72 56.04 1lwh n HIS 718 Cb 0.61 -0.76 0.27 0.00 0.12 0.00 0.00 29.99 30.23 1lwh n HIS 718 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1lwh n ASP 719 N -2.05 3.21 -3.40 4.39 8.00 -1.26 -4.97 116.55 120.47 1lwh n ASP 719 Ca -0.01 -1.97 -0.12 0.00 0.71 0.00 0.00 54.79 53.40 1lwh n ASP 719 Cb 0.23 -0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 1lwh n ASP 719 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lwh s MET 720 N -1.32 1.88 0.72 -1.24 0.23 -0.94 -5.05 119.30 113.57 1lwh s MET 720 Ca 0.40 -1.53 -0.14 0.00 -1.03 0.00 0.00 55.69 53.39 1lwh s MET 720 Cb 0.22 0.49 0.03 0.00 -1.53 0.00 0.00 34.83 34.04 1lwh s MET 720 CO 0.29 -0.81 1.15 -1.12 -2.03 0.00 0.00 175.02 172.50 1lwh s SER 721 N -3.13 4.54 0.77 -1.18 0.01 -1.26 -4.58 113.70 108.85 1lwh s SER 721 Ca 0.25 2.14 -0.13 0.00 1.31 0.00 0.00 55.95 59.51 1lwh s SER 721 Cb -0.02 -2.56 0.06 0.00 0.21 0.00 0.00 66.02 63.71 1lwh s SER 721 CO 0.15 -2.02 1.17 -0.13 0.41 0.00 0.00 173.24 172.82 1lwh s ARG 722 N -4.13 1.98 0.12 12.44 1.81 -0.02 -4.75 118.95 126.41 1lwh s ARG 722 Ca 0.69 1.61 -0.31 0.00 -1.72 0.00 0.00 55.73 56.01 1lwh s ARG 722 Cb -0.24 -1.83 -0.08 0.00 -0.45 0.00 0.00 34.95 32.35 1lwh s ARG 722 CO 0.45 -1.92 1.58 1.25 -0.68 0.00 0.00 175.30 175.98 1lwh h LEU 723 N -0.68 -1.40 -2.20 2.53 5.85 -1.84 0.59 115.31 118.16 1lwh h LEU 723 Ca -0.46 0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.44 1lwh h LEU 723 Cb 1.28 0.55 -0.00 0.00 0.37 0.00 0.00 40.66 42.86 1lwh h LEU 723 CO 0.49 -0.46 0.27 0.00 -0.34 0.00 0.00 178.44 178.39 1lwh h ALA 724 N -0.06 1.31 -0.48 1.25 0.00 -1.89 -0.74 119.26 118.65 1lwh h ALA 724 Ca 0.05 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 1lwh h ALA 724 Cb 0.66 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.35 1lwh h ALA 724 CO -0.37 -0.28 0.11 0.43 0.00 0.00 0.00 179.25 179.14 1lwh n SER 725 N -2.99 3.58 -4.68 0.00 7.64 0.17 -2.24 113.62 115.11 1lwh n SER 725 Ca -0.02 -3.41 -0.42 0.00 1.01 0.00 0.00 58.87 56.03 1lwh n SER 725 Cb 0.33 -0.66 -0.03 0.00 -1.01 0.00 0.00 64.21 62.84 1lwh n SER 725 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1lwh s PHE 726 N -3.07 2.84 -0.54 1.43 5.36 -0.28 -3.61 117.98 120.09 1lwh s PHE 726 Ca 0.48 0.89 -0.28 0.00 -0.96 0.00 0.00 56.93 57.06 1lwh s PHE 726 Cb 0.40 -3.59 0.04 0.00 -0.34 0.00 0.00 43.02 39.53 1lwh s PHE 726 CO 0.07 -2.13 0.65 0.39 -1.46 0.00 0.00 175.22 172.74 1lwh n GLU 727 N 5.84 -1.86 0.00 10.12 -0.58 -1.26 0.14 120.64 133.04 1lwh n GLU 727 Ca 0.13 1.31 0.00 0.00 -0.42 0.00 0.00 57.16 58.18 1lwh n GLU 727 Cb 0.44 -2.37 0.00 0.00 -0.57 0.00 0.00 31.44 28.94 1lwh n GLU 727 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1lwh n GLY 728 N -0.56 2.37 0.08 0.62 0.00 -1.26 -4.73 105.19 101.71 1lwh n GLY 728 Ca -0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.90 1lwh n GLY 728 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lwh n GLY 729 N -1.96 -1.71 3.39 -0.02 0.00 0.37 -4.97 105.19 100.29 1lwh n GLY 729 Ca 0.00 -1.49 -0.10 0.00 0.00 0.00 0.00 46.02 44.43 1lwh n GLY 729 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1lwh s PHE 730 N -1.68 0.29 0.95 1.61 -0.12 -0.95 -4.74 117.98 113.34 1lwh s PHE 730 Ca 0.00 -0.65 -0.12 0.00 -0.05 0.00 0.00 56.93 56.11 1lwh s PHE 730 Cb 0.00 0.05 0.08 0.00 -0.63 0.00 0.00 43.02 42.52 1lwh s PHE 730 CO 0.00 -0.77 0.68 -1.13 -0.05 0.00 0.00 175.22 173.95 1lwh n SER 731 N -0.25 -1.19 -0.24 1.98 3.41 -1.26 -4.69 113.62 111.39 1lwh n SER 731 Ca -0.08 0.35 0.04 0.00 -0.26 0.00 0.00 58.87 58.92 1lwh n SER 731 Cb 0.63 -1.30 0.16 0.00 -0.26 0.00 0.00 64.21 63.44 1lwh n SER 731 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1lwh h LYS 732 N -1.72 0.30 -0.63 4.33 3.64 -1.99 -0.80 116.57 119.69 1lwh h LYS 732 Ca -0.44 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.00 1lwh h LYS 732 Cb 1.28 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.97 1lwh h LYS 732 CO 0.37 0.20 0.29 0.93 -2.27 0.00 0.00 179.45 178.97 1lwh h GLU 733 N 0.30 0.51 0.01 1.90 5.08 -1.98 -0.65 114.58 119.75 1lwh h GLU 733 Ca 0.39 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.51 1lwh h GLU 733 Cb 0.62 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1lwh h GLU 733 CO -0.46 0.34 -0.90 0.87 -1.00 0.00 0.00 179.01 177.86 1lwh h LYS 734 N 0.52 0.19 -0.48 2.33 1.57 -1.64 -2.58 116.57 116.48 1lwh h LYS 734 Ca 0.30 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1lwh h LYS 734 Cb 0.31 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1lwh h LYS 734 CO -0.25 0.97 0.19 0.82 -0.57 0.00 0.00 179.45 180.60 1lwh h ILE 735 N 0.10 1.21 -0.63 1.86 2.04 -0.81 -1.82 117.51 119.46 1lwh h ILE 735 Ca -0.05 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 1lwh h ILE 735 Cb 1.54 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 1lwh h ILE 735 CO 0.14 0.25 0.22 0.11 0.00 0.00 0.00 178.15 178.87 1lwh h LYS 736 N 0.63 0.94 0.04 2.37 1.57 -1.09 -2.81 116.57 118.23 1lwh h LYS 736 Ca 0.16 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1lwh h LYS 736 Cb 0.20 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1lwh h LYS 736 CO -0.01 0.79 -0.02 1.25 -0.57 0.00 0.00 179.45 180.89 1lwh h LEU 737 N 0.92 -0.04 -0.66 2.94 5.85 -1.15 -1.12 115.31 122.04 1lwh h LEU 737 Ca 0.21 -0.26 0.14 0.00 0.84 0.00 0.00 57.88 58.81 1lwh h LEU 737 Cb 0.22 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 41.16 1lwh h LEU 737 CO -0.01 0.23 0.06 0.28 -0.34 0.00 0.00 178.44 178.66 1lwh h SER 738 N -0.33 -0.18 0.10 1.25 0.02 -1.25 0.37 113.55 113.53 1lwh h SER 738 Ca -0.01 0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1lwh h SER 738 Cb 0.30 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1lwh h SER 738 CO 0.01 -0.09 -0.05 0.40 -1.14 0.00 0.00 176.83 175.96 1lwh h ILE 739 N 0.17 0.93 -0.72 3.27 2.04 -1.43 0.15 117.51 121.92 1lwh h ILE 739 Ca 0.35 -0.12 0.12 0.00 1.00 0.00 0.00 64.86 66.21 1lwh h ILE 739 Cb 0.58 1.01 -0.08 0.00 -0.74 0.00 0.00 36.82 37.59 1lwh h ILE 739 CO -0.52 0.03 0.32 0.28 0.00 0.00 0.00 178.15 178.26 1lwh h SER 740 N -0.19 0.36 0.18 1.72 0.02 0.27 0.12 113.55 116.03 1lwh h SER 740 Ca -0.01 0.08 -0.13 0.00 -0.84 0.00 0.00 61.79 60.89 1lwh h SER 740 Cb 0.15 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1lwh h SER 740 CO 0.02 0.18 -0.49 0.40 -1.14 0.00 0.00 176.83 175.81 1lwh h ILE 741 N 0.52 1.33 -0.47 3.27 2.04 -0.12 -3.10 117.51 120.97 1lwh h ILE 741 Ca 0.38 -1.71 -0.09 0.00 1.00 0.00 0.00 64.86 64.44 1lwh h ILE 741 Cb 0.49 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 1lwh h ILE 741 CO -0.33 0.52 -0.05 0.25 0.00 0.00 0.00 178.15 178.54 1lwh h LEU 742 N 0.29 0.86 -0.40 1.44 5.85 0.17 -2.98 115.31 120.54 1lwh h LEU 742 Ca 0.01 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1lwh h LEU 742 Cb 0.97 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.76 1lwh h LEU 742 CO 0.08 0.99 0.00 0.49 -0.34 0.00 0.00 178.44 179.66 1lwh n PHE 743 N -4.30 0.14 -2.31 1.25 3.72 0.05 -3.65 117.46 112.36 1lwh n PHE 743 Ca 0.00 -0.07 -0.06 0.00 -0.05 0.00 0.00 57.45 57.27 1lwh n PHE 743 Cb 0.34 -0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.94 1lwh n PHE 743 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1lwh n THR 744 N -0.19 1.64 -4.17 4.37 -2.24 -1.13 -4.84 114.28 107.73 1lwh n THR 744 Ca 0.04 -3.10 -0.17 0.00 -2.27 0.00 0.00 64.05 58.54 1lwh n THR 744 Cb 0.09 0.19 -0.12 0.00 -2.10 0.00 0.00 70.33 68.39 1lwh n THR 744 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1lwh s LEU 745 N -3.03 2.26 1.17 3.22 1.43 -1.24 -5.01 118.68 117.48 1lwh s LEU 745 Ca 0.38 -0.58 -0.15 0.00 -1.03 0.00 0.00 54.13 52.75 1lwh s LEU 745 Cb 0.37 -0.45 0.28 0.00 0.03 0.00 0.00 46.19 46.42 1lwh s LEU 745 CO -0.04 -0.09 1.03 -2.84 0.23 0.00 0.00 176.35 174.65 1lwh s PRO 746 N -1.62 -0.98 0.08 1.29 0.02 -1.26 -4.81 135.00 127.72 1lwh s PRO 746 Ca -0.03 0.54 0.00 0.00 0.02 0.00 0.00 61.00 61.53 1lwh s PRO 746 Cb -0.10 -1.57 0.00 0.00 0.02 0.00 0.00 34.50 32.85 1lwh s PRO 746 CO 0.02 -3.69 0.00 0.41 -0.33 0.00 0.00 177.00 173.41 1lwh n GLY 747 N 0.24 -1.71 3.29 0.52 0.00 -0.49 -4.91 105.19 102.13 1lwh n GLY 747 Ca 0.05 -2.01 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 1lwh n GLY 747 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lwh s VAL 748 N 0.00 3.18 0.06 1.61 1.01 0.31 -4.34 120.40 122.23 1lwh s VAL 748 Ca 0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.13 1lwh s VAL 748 Cb 0.00 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 1lwh s VAL 748 CO 0.00 0.44 0.93 -2.16 0.00 0.00 0.00 175.10 174.32 1lwh s PRO 749 N 1.39 4.62 -0.05 2.72 0.04 -1.25 -0.48 135.00 141.99 1lwh s PRO 749 Ca 0.05 1.37 0.02 0.00 0.04 0.00 0.00 61.00 62.48 1lwh s PRO 749 Cb -0.14 -3.41 0.01 0.00 0.04 0.00 0.00 34.50 31.00 1lwh s PRO 749 CO -0.04 0.13 -0.10 -1.17 0.04 0.00 0.00 177.00 175.86 1lwh s LEU 750 N 0.37 1.63 -0.13 -3.56 0.20 0.29 -0.68 118.68 116.79 1lwh s LEU 750 Ca 0.47 -0.23 -0.03 0.00 0.69 0.00 0.00 54.13 55.03 1lwh s LEU 750 Cb -0.22 -0.66 -0.03 0.00 -0.43 0.00 0.00 46.19 44.85 1lwh s LEU 750 CO 0.28 0.03 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.65 1lwh s VAL 751 N 0.54 3.99 -0.05 1.68 1.01 -0.69 -1.62 120.40 125.24 1lwh s VAL 751 Ca -0.10 -0.34 -0.26 0.00 0.00 0.00 0.00 61.98 61.28 1lwh s VAL 751 Cb -0.13 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1lwh s VAL 751 CO 0.02 0.52 0.82 0.12 0.00 0.00 0.00 175.10 176.59 1lwh s PHE 752 N -0.00 3.59 -0.30 5.22 5.36 -1.26 -1.35 117.98 129.24 1lwh s PHE 752 Ca 0.01 1.42 -0.44 0.00 -0.96 0.00 0.00 56.93 56.97 1lwh s PHE 752 Cb -0.13 -2.95 -0.20 0.00 -0.34 0.00 0.00 43.02 39.40 1lwh s PHE 752 CO 0.02 0.01 1.37 2.48 -1.46 0.00 0.00 175.22 177.64 1lwh n TYR 753 N 4.02 1.30 -0.02 10.12 4.11 0.68 -0.86 117.16 136.51 1lwh n TYR 753 Ca 0.02 1.10 0.00 0.00 -0.00 0.00 0.00 57.90 59.02 1lwh n TYR 753 Cb 0.51 -2.14 0.00 0.00 -0.00 0.00 0.00 39.34 37.71 1lwh n TYR 753 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1lwh n GLY 754 N 2.98 0.87 0.16 -7.48 0.00 -1.26 -4.90 105.19 95.55 1lwh n GLY 754 Ca 0.26 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.29 1lwh n GLY 754 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1lwh h ASP 755 N 0.00 0.00 0.00 1.61 3.32 -1.35 -2.10 116.42 117.90 1lwh h ASP 755 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1lwh h ASP 755 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1lwh h ASP 755 CO 0.00 0.51 0.00 -1.84 -1.72 0.00 0.00 179.24 176.19 1lwh n GLU 756 N -3.86 0.33 0.00 3.56 0.00 -1.26 -2.15 120.64 117.26 1lwh n GLU 756 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 1lwh n GLU 756 Cb 0.54 -1.25 0.00 0.00 0.00 0.00 0.00 31.44 30.72 1lwh n GLU 756 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1lwh n LEU 757 N -0.75 0.00 0.00 -1.84 4.77 -0.80 -2.45 117.00 115.92 1lwh n LEU 757 Ca 0.04 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1lwh n LEU 757 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1lwh n LEU 757 CO 0.03 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 1lwh n GLY 758 N 1.85 1.14 3.75 -0.72 0.00 -0.91 -4.80 105.19 105.50 1lwh n GLY 758 Ca 0.00 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 1lwh n GLY 758 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1lwh s MET 759 N -2.33 4.17 0.34 1.61 -1.94 -1.15 -4.85 119.30 115.15 1lwh s MET 759 Ca 0.00 2.48 -0.12 0.00 -1.71 0.00 0.00 55.69 56.34 1lwh s MET 759 Cb 0.00 -3.05 -0.08 0.00 2.01 0.00 0.00 34.83 33.71 1lwh s MET 759 CO 0.00 -0.56 0.72 0.15 -0.01 0.00 0.00 175.02 175.32 1lwh s LYS 760 N -0.44 3.88 0.00 2.03 1.02 -1.26 -4.40 119.74 120.57 1lwh s LYS 760 Ca 0.62 0.53 0.00 0.00 0.02 0.00 0.00 55.97 57.14 1lwh s LYS 760 Cb -0.46 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.41 1lwh s LYS 760 CO 0.46 0.10 0.00 0.41 -0.92 0.00 0.00 175.35 175.40 1lwh n GLY 761 N -0.73 -0.59 3.49 -3.33 0.00 -1.26 -4.66 105.19 98.10 1lwh n GLY 761 Ca 0.03 0.86 -0.43 0.00 0.00 0.00 0.00 46.02 46.47 1lwh n GLY 761 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lwh s VAL 762 N 0.00 4.97 0.39 1.61 1.01 -1.26 -0.84 120.40 126.28 1lwh s VAL 762 Ca 0.00 -0.25 -0.27 0.00 0.00 0.00 0.00 61.98 61.46 1lwh s VAL 762 Cb 0.00 -4.14 -0.10 0.00 0.00 0.00 0.00 36.38 32.14 1lwh s VAL 762 CO 0.00 -0.55 1.48 -0.47 0.00 0.00 0.00 175.10 175.56 1lwh s TYR 763 N 2.42 2.54 0.04 5.22 5.04 -1.26 -4.82 117.35 126.54 1lwh s TYR 763 Ca 0.16 1.18 -0.27 0.00 -2.44 0.00 0.00 57.07 55.70 1lwh s TYR 763 Cb -0.17 -4.01 0.09 0.00 0.35 0.00 0.00 41.96 38.22 1lwh s TYR 763 CO 0.15 -3.02 0.83 1.14 -1.34 0.00 0.00 175.55 173.31 1lwh s GLN 764 N -2.18 0.95 0.32 4.97 -2.07 -1.26 -4.86 119.66 115.53 1lwh s GLN 764 Ca 0.55 -0.36 0.09 0.00 -1.82 0.00 0.00 55.36 53.81 1lwh s GLN 764 Cb -0.46 0.42 -0.05 0.00 -1.09 0.00 0.00 33.01 31.83 1lwh s GLN 764 CO 0.62 -0.42 0.02 0.15 -1.32 0.00 0.00 175.29 174.35 1lwh s LYS 765 N -3.27 2.15 0.00 9.60 1.02 -1.26 -3.53 119.74 124.46 1lwh s LYS 765 Ca 0.05 -1.65 0.27 0.00 0.02 0.00 0.00 55.97 54.66 1lwh s LYS 765 Cb -0.01 -2.01 0.93 0.00 -0.52 0.00 0.00 37.83 36.22 1lwh s LYS 765 CO -0.09 0.18 1.67 -0.35 -0.92 0.00 0.00 175.35 175.85 1lwh n PRO 766 N -0.96 0.81 -1.87 -1.68 -0.04 -1.26 -4.92 135.00 125.07 1lwh n PRO 766 Ca -0.04 -0.42 -0.41 0.00 -0.04 0.00 0.00 63.50 62.59 1lwh n PRO 766 Cb 0.61 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.58 1lwh n PRO 766 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1lwh n ASN 767 N -0.73 6.05 0.00 3.54 6.94 -1.26 -4.74 115.26 125.06 1lwh n ASN 767 Ca 0.13 -2.92 0.04 0.00 -0.02 0.00 0.00 54.58 51.81 1lwh n ASN 767 Cb 0.32 -1.53 0.26 0.00 -2.36 0.00 0.00 39.78 36.48 1lwh n ASN 767 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1lwh n THR 768 N 3.61 0.02 1.07 5.53 -2.24 -1.23 -2.32 114.28 118.72 1lwh n THR 768 Ca 0.56 0.01 0.12 0.00 -2.27 0.00 0.00 64.05 62.46 1lwh n THR 768 Cb 0.32 -0.87 0.59 0.00 -2.10 0.00 0.00 70.33 68.28 1lwh n THR 768 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1lwh n GLU 769 N -1.01 0.25 0.29 -0.78 0.00 -1.26 -3.51 120.64 114.63 1lwh n GLU 769 Ca 0.07 0.06 0.16 0.00 0.00 0.00 0.00 57.16 57.45 1lwh n GLU 769 Cb 0.03 -1.50 0.88 0.00 0.00 0.00 0.00 31.44 30.86 1lwh n GLU 769 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.13 176.74 1lwh h VAL 770 N 0.00 0.39 -0.64 3.84 -1.51 -1.80 -1.27 116.25 115.26 1lwh h VAL 770 Ca 0.00 -0.27 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 1lwh h VAL 770 Cb 0.29 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 30.63 1lwh h VAL 770 CO 0.00 0.05 0.00 1.33 -1.23 0.00 0.00 177.57 177.72 1lwh n VAL 771 N -3.54 1.31 -1.54 7.19 0.24 -1.23 -4.33 118.33 116.43 1lwh n VAL 771 Ca -0.02 -1.09 -0.10 0.00 -2.04 0.00 0.00 64.34 61.08 1lwh n VAL 771 Cb 0.16 0.36 0.16 0.00 -1.47 0.00 0.00 33.84 33.05 1lwh n VAL 771 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1lwh n LEU 772 N 1.25 4.57 -4.55 1.34 4.77 -0.48 -4.98 117.00 118.92 1lwh n LEU 772 Ca 0.23 -4.00 -0.39 0.00 -0.03 0.00 0.00 56.01 51.83 1lwh n LEU 772 Cb 0.69 -0.62 0.04 0.00 -2.33 0.00 0.00 43.42 41.20 1lwh n LEU 772 CO 0.18 1.43 0.34 0.47 -1.33 0.00 0.00 177.39 178.48 1lwh n ASP 773 N -1.05 0.05 -4.73 -1.43 9.92 -1.26 -4.80 116.55 113.26 1lwh n ASP 773 Ca 0.38 0.82 -0.42 0.00 -0.53 0.00 0.00 54.79 55.03 1lwh n ASP 773 Cb 1.00 -1.29 -0.02 0.00 -0.64 0.00 0.00 41.12 40.17 1lwh n ASP 773 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 1lwh n PRO 774 N -0.40 2.58 -2.15 -0.24 -0.02 -1.26 -4.90 135.00 128.61 1lwh n PRO 774 Ca 0.12 0.92 -0.42 0.00 -2.02 0.00 0.00 63.50 62.10 1lwh n PRO 774 Cb 0.46 -2.67 -0.03 0.00 -0.02 0.00 0.00 33.50 31.24 1lwh n PRO 774 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1lwh s PHE 775 N -0.09 2.61 -0.61 6.00 5.36 -0.01 -4.96 117.98 126.28 1lwh s PHE 775 Ca 0.64 0.63 -0.25 0.00 -0.96 0.00 0.00 56.93 56.99 1lwh s PHE 775 Cb -0.52 -3.75 0.04 0.00 -0.34 0.00 0.00 43.02 38.45 1lwh s PHE 775 CO 0.50 -2.88 1.07 -1.25 -1.46 0.00 0.00 175.22 171.19 1lwh s PRO 776 N 2.87 3.32 0.13 10.12 0.04 -1.26 -4.56 135.00 145.65 1lwh s PRO 776 Ca 0.66 -0.22 -0.05 0.00 0.04 0.00 0.00 61.00 61.44 1lwh s PRO 776 Cb -0.32 -4.09 -0.10 0.00 0.04 0.00 0.00 34.50 30.03 1lwh s PRO 776 CO 0.27 -1.70 1.30 -1.49 0.04 0.00 0.00 177.00 175.42 1lwh h TRP 777 N 9.54 0.64 -4.30 0.56 4.06 -1.94 -1.61 115.95 122.90 1lwh h TRP 777 Ca -0.27 -0.34 -0.17 0.00 2.06 0.00 0.00 58.89 60.17 1lwh h TRP 777 Cb 1.06 -0.07 -0.14 0.00 -1.00 0.00 0.00 29.16 29.01 1lwh h TRP 777 CO 0.99 1.16 -0.52 0.54 -3.56 0.00 0.00 178.44 177.05 1lwh s ASN 778 N -7.09 0.17 0.22 -3.49 6.03 -1.26 -1.43 114.94 108.08 1lwh s ASN 778 Ca -0.06 -1.17 -0.08 0.00 -1.03 0.00 0.00 52.86 50.52 1lwh s ASN 778 Cb 0.09 0.38 0.26 0.00 -3.03 0.00 0.00 41.25 38.94 1lwh s ASN 778 CO 0.87 -0.83 1.82 -0.33 -2.03 0.00 0.00 177.10 176.59 1lwh h GLU 779 N 2.67 0.74 0.00 3.55 4.39 -1.91 -1.45 114.58 122.56 1lwh h GLU 779 Ca -0.34 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1lwh h GLU 779 Cb 1.23 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1lwh h GLU 779 CO 0.53 0.49 0.00 -1.13 -1.16 0.00 0.00 179.01 177.73 1lwh n SER 780 N -4.74 0.29 -3.49 1.42 3.41 -1.26 -0.09 113.62 109.16 1lwh n SER 780 Ca 0.09 0.54 -0.26 0.00 -0.26 0.00 0.00 58.87 58.99 1lwh n SER 780 Cb 0.17 -0.62 0.03 0.00 -0.26 0.00 0.00 64.21 63.53 1lwh n SER 780 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1lwh n MET 781 N -1.79 -5.24 -3.59 4.33 2.81 -0.55 -4.91 117.12 108.17 1lwh n MET 781 Ca 0.05 0.69 -0.29 0.00 -1.81 0.00 0.00 57.70 56.34 1lwh n MET 781 Cb 0.30 -5.56 -0.12 0.00 -0.71 0.00 0.00 33.22 27.13 1lwh n MET 781 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1lwh s VAL 783 N 0.49 0.00 0.29 0.00 0.11 -1.26 -5.01 120.40 115.03 1lwh s VAL 783 Ca 0.20 -0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 58.93 1lwh s VAL 783 Cb -0.19 -0.93 -0.13 0.00 -1.53 0.00 0.00 36.38 33.60 1lwh s VAL 783 CO -0.03 -0.01 1.41 -1.84 -3.33 0.00 0.00 175.10 171.30 1lwh n GLU 784 N 2.25 2.21 0.00 1.54 -0.00 -1.26 -0.58 120.64 124.80 1lwh n GLU 784 Ca -0.15 0.78 0.00 0.00 -0.00 0.00 0.00 57.16 57.79 1lwh n GLU 784 Cb 0.56 -2.44 0.00 0.00 -0.00 0.00 0.00 31.44 29.55 1lwh n GLU 784 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1lwh n GLY 785 N 1.68 2.88 3.75 -1.84 0.00 -1.24 -5.04 105.19 105.38 1lwh n GLY 785 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1lwh n GLY 785 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1lwh s GLN 786 N -0.52 4.46 -0.07 1.61 2.00 0.25 -0.79 119.66 126.61 1lwh s GLN 786 Ca 0.00 1.99 -0.05 0.00 -2.00 0.00 0.00 55.36 55.30 1lwh s GLN 786 Cb 0.00 -3.18 -0.04 0.00 0.80 0.00 0.00 33.01 30.59 1lwh s GLN 786 CO 0.00 -0.09 0.16 0.95 -0.50 0.00 0.00 175.29 175.80 1lwh s THR 787 N -0.50 5.45 -0.42 -0.34 -4.23 -1.26 -4.49 115.64 109.84 1lwh s THR 787 Ca 0.51 0.03 0.08 0.00 -1.18 0.00 0.00 61.69 61.14 1lwh s THR 787 Cb -0.35 -3.45 0.35 0.00 1.34 0.00 0.00 72.50 70.39 1lwh s THR 787 CO 0.42 0.49 1.10 0.33 -0.54 0.00 0.00 174.62 176.41 1lwh n PHE 788 N 1.51 -2.02 1.46 3.99 7.35 -0.31 -4.78 117.46 124.66 1lwh n PHE 788 Ca -0.16 -2.40 0.15 0.00 -0.76 0.00 0.00 57.45 54.28 1lwh n PHE 788 Cb 0.54 1.16 0.77 0.00 0.35 0.00 0.00 39.48 42.30 1lwh n PHE 788 CO 0.00 0.00 0.00 -2.67 -0.76 0.00 0.00 176.76 173.33 1lwh n TRP 789 N 0.10 0.00 -3.62 -5.13 4.27 -1.23 -4.85 117.44 106.98 1lwh n TRP 789 Ca 0.07 0.00 -0.06 0.00 -3.89 0.00 0.00 57.50 53.62 1lwh n TRP 789 Cb 0.74 -0.25 -0.02 0.00 -1.36 0.00 0.00 31.31 30.42 1lwh n TRP 789 CO 0.00 0.00 0.00 -1.59 -2.29 0.00 0.00 177.69 173.81 1lwh s LYS 790 N -2.50 1.05 0.15 -2.67 -2.85 -1.26 -5.13 119.74 106.53 1lwh s LYS 790 Ca 0.30 -0.49 -0.30 0.00 -1.00 0.00 0.00 55.97 54.48 1lwh s LYS 790 Cb 0.20 0.41 -0.07 0.00 -2.06 0.00 0.00 37.83 36.31 1lwh s LYS 790 CO 0.44 -0.47 1.16 -0.46 0.10 0.00 0.00 175.35 176.12 1lwh s TRP 791 N -3.26 3.49 0.33 1.78 -0.11 -1.26 -4.94 118.94 114.97 1lwh s TRP 791 Ca 0.08 1.46 -0.27 0.00 1.22 0.00 0.00 56.10 58.59 1lwh s TRP 791 Cb -0.01 -3.37 -0.13 0.00 -1.50 0.00 0.00 33.47 28.46 1lwh s TRP 791 CO -0.04 -1.01 1.08 -2.30 -4.62 0.00 0.00 176.95 170.06 1lwh n PRO 792 N 2.78 1.55 0.02 5.86 -0.02 -1.26 -4.92 135.00 139.02 1lwh n PRO 792 Ca 0.05 0.55 -0.13 0.00 -2.02 0.00 0.00 63.50 61.94 1lwh n PRO 792 Cb 0.46 -2.01 -0.14 0.00 -0.02 0.00 0.00 33.50 31.78 1lwh n PRO 792 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1lwh h ALA 793 N 2.02 0.49 0.00 3.55 0.00 -1.92 -3.42 119.26 119.98 1lwh h ALA 793 Ca -0.42 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.22 1lwh h ALA 793 Cb 1.32 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1lwh h ALA 793 CO 0.60 1.35 0.00 0.66 0.00 0.00 0.00 179.25 181.86 1lwh n TYR 794 N -3.30 0.00 -3.11 0.00 4.02 -1.26 -4.94 117.16 108.57 1lwh n TYR 794 Ca -0.17 -0.06 -0.18 0.00 -0.01 0.00 0.00 57.90 57.48 1lwh n TYR 794 Cb 1.04 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 40.32 1lwh n TYR 794 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1lwh n ASN 795 N -0.06 -0.03 -4.70 7.72 3.02 -1.26 -4.48 115.26 115.46 1lwh n ASN 795 Ca 0.00 -2.99 -0.30 0.00 -0.03 0.00 0.00 54.58 51.26 1lwh n ASN 795 Cb 0.27 -0.17 0.14 0.00 -0.61 0.00 0.00 39.78 39.41 1lwh n ASN 795 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1lwh s GLY 796 N -1.80 1.63 0.67 7.41 0.00 -1.26 -4.78 107.32 109.19 1lwh s GLY 796 Ca 0.36 0.05 -0.17 0.00 0.00 0.00 0.00 44.72 44.96 1lwh s GLY 796 CO -0.10 0.53 1.18 -1.55 0.00 0.00 0.00 173.10 173.16 1lwh n PRO 797 N -3.95 0.87 -3.17 2.90 -0.04 -1.26 -3.86 135.00 126.49 1lwh n PRO 797 Ca 0.07 0.35 -0.16 0.00 -0.04 0.00 0.00 63.50 63.73 1lwh n PRO 797 Cb 0.54 -2.41 0.05 0.00 -0.04 0.00 0.00 33.50 31.64 1lwh n PRO 797 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1lwh n PHE 798 N -2.15 -1.85 -0.11 0.54 3.01 0.88 -4.93 117.46 112.85 1lwh n PHE 798 Ca 0.15 0.63 0.09 0.00 1.01 0.00 0.00 57.45 59.33 1lwh n PHE 798 Cb 0.48 -3.67 0.21 0.00 -0.01 0.00 0.00 39.48 36.50 1lwh n PHE 798 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1lwh n SER 799 N -1.47 3.27 -2.07 4.37 7.64 -1.25 -4.98 113.62 119.13 1lwh n SER 799 Ca -0.01 -1.95 -0.16 0.00 1.01 0.00 0.00 58.87 57.77 1lwh n SER 799 Cb 0.55 -0.30 0.02 0.00 -1.01 0.00 0.00 64.21 63.46 1lwh n SER 799 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lwh n GLY 800 N 1.06 -0.18 0.00 0.23 0.00 -1.26 -4.92 105.19 100.12 1lwh n GLY 800 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1lwh n GLY 800 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1lwh n ILE 801 N -4.11 0.38 -2.09 -0.61 -5.35 -1.26 -4.77 119.36 101.55 1lwh n ILE 801 Ca -0.10 -0.47 -0.34 0.00 -0.27 0.00 0.00 62.75 61.57 1lwh n ILE 801 Cb 0.60 0.95 0.02 0.00 -1.74 0.00 0.00 39.64 39.46 1lwh n ILE 801 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1lwh s SER 802 N -0.38 5.52 0.20 7.28 1.04 -1.26 -4.82 113.70 121.28 1lwh s SER 802 Ca 0.00 2.11 -0.11 0.00 0.48 0.00 0.00 55.95 58.43 1lwh s SER 802 Cb 0.00 -2.57 0.24 0.00 0.10 0.00 0.00 66.02 63.79 1lwh s SER 802 CO 0.00 -1.35 1.72 0.58 0.98 0.00 0.00 173.24 175.17 1lwh h VAL 803 N 0.80 0.72 -0.47 5.02 2.07 -1.28 -0.94 116.25 122.17 1lwh h VAL 803 Ca -0.49 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 66.95 1lwh h VAL 803 Cb 1.26 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1lwh h VAL 803 CO 0.56 0.05 0.29 -0.08 0.02 0.00 0.00 177.57 178.41 1lwh h GLU 804 N 0.30 0.57 -0.11 1.57 4.81 -1.51 -1.26 114.58 118.95 1lwh h GLU 804 Ca 0.28 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1lwh h GLU 804 Cb 0.38 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1lwh h GLU 804 CO -0.34 0.38 -0.03 -0.92 -0.73 0.00 0.00 179.01 177.37 1lwh h TYR 805 N 0.58 0.23 0.00 0.92 5.03 -1.69 -3.24 116.97 118.81 1lwh h TYR 805 Ca 0.19 -0.05 -0.03 0.00 2.58 0.00 0.00 58.73 61.42 1lwh h TYR 805 Cb -0.01 -0.06 -0.00 0.00 1.55 0.00 0.00 36.73 38.21 1lwh h TYR 805 CO -0.06 0.52 -0.12 1.96 -1.32 0.00 0.00 178.16 179.14 1lwh h GLN 806 N -0.12 0.00 -0.15 1.82 4.20 -1.13 -3.19 115.11 116.54 1lwh h GLN 806 Ca 0.03 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 1lwh h GLN 806 Cb 0.45 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1lwh h GLN 806 CO 0.01 0.12 -0.13 -0.22 -0.67 0.00 0.00 178.83 177.95 1lwh h LYS 807 N 0.00 0.23 -1.03 1.46 3.64 -1.25 -2.77 116.57 116.86 1lwh h LYS 807 Ca -0.00 -0.05 -0.57 0.00 -1.27 0.00 0.00 60.65 58.76 1lwh h LYS 807 Cb 0.57 -0.03 -0.28 0.00 -0.41 0.00 0.00 32.23 32.08 1lwh h LYS 807 CO 0.02 0.37 0.73 2.89 -2.27 0.00 0.00 179.45 181.18 1lwh n ARG 808 N -4.28 2.39 -3.42 1.90 1.85 -1.20 -4.77 116.66 109.13 1lwh n ARG 808 Ca -0.01 -2.98 -0.20 0.00 -1.00 0.00 0.00 57.85 53.66 1lwh n ARG 808 Cb 0.26 -2.17 -0.10 0.00 -1.05 0.00 0.00 32.46 29.40 1lwh n ARG 808 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1lwh s ASP 809 N -1.40 1.98 0.00 2.89 -1.08 -1.04 -5.00 116.67 113.01 1lwh s ASP 809 Ca 0.58 -1.09 0.00 0.00 -0.52 0.00 0.00 52.55 51.52 1lwh s ASP 809 Cb 0.47 0.31 0.00 0.00 -1.46 0.00 0.00 42.92 42.24 1lwh s ASP 809 CO 0.05 -0.37 0.17 -0.81 0.52 0.00 0.00 175.17 174.73 1lwh n PRO 810 N 5.02 0.19 0.00 4.34 -0.04 -1.26 -0.85 135.00 142.41 1lwh n PRO 810 Ca 0.01 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.49 1lwh n PRO 810 Cb 0.45 -1.02 -0.01 0.00 -0.04 0.00 0.00 33.50 32.87 1lwh n PRO 810 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1lwh n ASP 811 N -0.28 0.45 -4.73 3.54 -0.08 -1.26 -4.84 116.55 109.35 1lwh n ASP 811 Ca 0.00 -0.73 -0.30 0.00 -1.51 0.00 0.00 54.79 52.25 1lwh n ASP 811 Cb 0.01 0.79 0.12 0.00 2.34 0.00 0.00 41.12 44.38 1lwh n ASP 811 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1lwh s SER 812 N -1.18 3.77 0.26 1.67 1.04 -0.03 -4.91 113.70 114.32 1lwh s SER 812 Ca 0.02 1.74 -0.01 0.00 0.48 0.00 0.00 55.95 58.18 1lwh s SER 812 Cb 0.03 -2.39 0.33 0.00 0.10 0.00 0.00 66.02 64.09 1lwh s SER 812 CO 0.15 -2.49 1.71 0.40 0.98 0.00 0.00 173.24 173.99 1lwh h ILE 813 N -1.44 1.26 -0.61 -1.02 5.03 -1.87 -2.61 117.51 116.25 1lwh h ILE 813 Ca -0.46 -1.19 -0.04 0.00 -0.12 0.00 0.00 64.86 63.05 1lwh h ILE 813 Cb 1.26 1.15 -0.03 0.00 -3.03 0.00 0.00 36.82 36.18 1lwh h ILE 813 CO 0.51 0.40 0.24 0.25 -0.68 0.00 0.00 178.15 178.87 1lwh h LEU 814 N 0.60 0.85 -0.90 1.44 5.85 -1.80 0.15 115.31 121.50 1lwh h LEU 814 Ca 0.10 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 1lwh h LEU 814 Cb 0.61 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1lwh h LEU 814 CO 0.04 0.80 0.29 0.28 -0.34 0.00 0.00 178.44 179.51 1lwh h SER 815 N 0.86 1.01 0.08 1.25 0.02 -1.76 0.12 113.55 115.12 1lwh h SER 815 Ca 0.20 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1lwh h SER 815 Cb 0.21 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1lwh h SER 815 CO -0.02 0.90 -0.04 -0.74 -1.14 0.00 0.00 176.83 175.79 1lwh h HIS 816 N 1.07 -0.10 -0.52 3.45 -0.00 -1.04 -1.60 115.15 116.40 1lwh h HIS 816 Ca 0.25 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.61 1lwh h HIS 816 Cb 0.21 0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.62 1lwh h HIS 816 CO 0.02 0.09 0.31 1.15 -0.00 0.00 0.00 177.93 179.49 1lwh h THR 817 N -0.27 1.16 -0.84 6.26 2.02 -0.46 -1.86 112.91 118.92 1lwh h THR 817 Ca -0.01 -0.39 0.10 0.00 0.77 0.00 0.00 66.41 66.88 1lwh h THR 817 Cb 0.23 0.47 -0.06 0.00 -1.74 0.00 0.00 68.15 67.06 1lwh h THR 817 CO 0.02 0.17 0.55 -0.07 0.37 0.00 0.00 175.52 176.56 1lwh h LEU 818 N 0.70 0.72 -0.62 2.58 3.38 -0.64 0.27 115.31 121.70 1lwh h LEU 818 Ca 0.19 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 1lwh h LEU 818 Cb 0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1lwh h LEU 818 CO -0.03 0.43 0.08 1.23 0.09 0.00 0.00 178.44 180.23 1lwh h GLY 819 N 0.80 1.13 2.00 0.83 0.00 -0.50 -1.11 103.07 106.21 1lwh h GLY 819 Ca 0.39 -0.77 -0.14 0.00 0.00 0.00 0.00 47.33 46.81 1lwh h GLY 819 CO -0.16 0.71 -0.65 1.49 0.00 0.00 0.00 176.54 177.94 1lwh h TRP 820 N 0.95 0.00 0.02 5.60 4.06 -0.64 -2.03 115.95 123.92 1lwh h TRP 820 Ca 0.19 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.93 1lwh h TRP 820 Cb 0.46 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.61 1lwh h TRP 820 CO 0.03 0.65 -0.93 1.79 -3.56 0.00 0.00 178.44 176.42 1lwh h THR 821 N 0.00 1.51 -0.38 1.49 1.35 -0.90 -0.07 112.91 115.92 1lwh h THR 821 Ca -0.01 -2.72 -0.06 0.00 -0.55 0.00 0.00 66.41 63.07 1lwh h THR 821 Cb 1.21 2.55 -0.01 0.00 -1.73 0.00 0.00 68.15 70.16 1lwh h THR 821 CO 0.08 0.79 -0.01 -0.09 -0.25 0.00 0.00 175.52 176.05 1lwh h ARG 822 N 0.10 0.67 0.23 4.72 9.65 -1.11 -0.22 114.38 128.43 1lwh h ARG 822 Ca -0.05 -0.22 -0.01 0.00 -1.10 0.00 0.00 59.98 58.60 1lwh h ARG 822 Cb 1.58 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 30.11 1lwh h ARG 822 CO 0.14 0.78 -0.11 0.35 2.80 0.00 0.00 179.97 183.93 1lwh h PHE 823 N 0.49 -0.29 0.00 2.20 3.04 -1.33 -2.16 116.94 118.89 1lwh h PHE 823 Ca 0.11 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 1lwh h PHE 823 Cb 0.48 0.09 -0.00 0.00 2.56 0.00 0.00 35.95 39.09 1lwh h PHE 823 CO 0.04 -0.05 -0.06 -0.09 -2.02 0.00 0.00 178.31 176.13 1lwh h ARG 824 N -0.48 0.00 -0.05 1.11 9.65 -0.99 -0.62 114.38 123.00 1lwh h ARG 824 Ca -0.03 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.74 1lwh h ARG 824 Cb 0.36 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 1lwh h ARG 824 CO 0.05 0.06 -0.45 -0.22 2.80 0.00 0.00 179.97 182.21 1lwh h LYS 825 N 0.00 0.12 -0.01 0.20 3.64 -0.71 -2.57 116.57 117.23 1lwh h LYS 825 Ca -0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1lwh h LYS 825 Cb 0.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1lwh h LYS 825 CO 0.01 0.55 -0.06 0.39 -2.27 0.00 0.00 179.45 178.07 1lwh n GLU 826 N -4.00 1.47 -3.33 1.90 1.02 -0.30 -4.44 120.64 112.96 1lwh n GLU 826 Ca -0.02 -0.85 -0.26 0.00 -0.02 0.00 0.00 57.16 56.02 1lwh n GLU 826 Cb 0.49 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 30.35 1lwh n GLU 826 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1lwh n ASN 827 N -0.02 1.43 0.22 1.62 4.13 -0.80 -4.96 115.26 116.88 1lwh n ASN 827 Ca 0.17 -2.93 -0.15 0.00 1.68 0.00 0.00 54.58 53.35 1lwh n ASN 827 Cb 0.35 -0.65 -0.07 0.00 -1.54 0.00 0.00 39.78 37.87 1lwh n ASN 827 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 1lwh h GLN 828 N 4.33 -0.67 -0.70 3.52 1.08 -1.78 -3.06 115.11 117.85 1lwh h GLN 828 Ca 0.14 0.05 0.20 0.00 -1.45 0.00 0.00 58.65 57.59 1lwh h GLN 828 Cb 0.81 0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 28.36 1lwh h GLN 828 CO 0.59 -0.44 0.82 -2.67 -0.95 0.00 0.00 178.83 176.17 1lwh n TRP 829 N -5.44 0.00 -0.24 2.96 4.27 -1.26 -2.00 117.44 115.73 1lwh n TRP 829 Ca -0.10 0.00 -0.06 0.00 -3.89 0.00 0.00 57.50 53.45 1lwh n TRP 829 Cb 0.34 -0.17 0.05 0.00 -1.36 0.00 0.00 31.31 30.16 1lwh n TRP 829 CO 0.00 0.00 0.00 0.82 -2.29 0.00 0.00 177.69 176.22 1lwh h ILE 830 N 0.00 1.21 -0.92 -1.67 2.04 -1.92 -2.53 117.51 113.71 1lwh h ILE 830 Ca 0.33 -0.51 0.26 0.00 1.00 0.00 0.00 64.86 65.94 1lwh h ILE 830 Cb 1.96 0.31 -0.14 0.00 -0.74 0.00 0.00 36.82 38.21 1lwh h ILE 830 CO -0.00 0.23 0.37 0.44 0.00 0.00 0.00 178.15 179.18 1lwh h ASP 831 N 0.93 0.22 -0.41 1.72 5.19 -1.59 0.43 116.42 122.90 1lwh h ASP 831 Ca 0.24 0.19 0.00 0.00 -0.62 0.00 0.00 57.03 56.84 1lwh h ASP 831 Cb 0.03 0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1lwh h ASP 831 CO -0.04 -0.12 0.00 0.54 -3.12 0.00 0.00 179.24 176.50 1lwh n ARG 832 N -5.14 3.71 -1.89 3.56 5.12 -1.17 -1.39 116.66 119.46 1lwh n ARG 832 Ca 0.25 -2.93 -0.30 0.00 -1.93 0.00 0.00 57.85 52.94 1lwh n ARG 832 Cb 0.77 -1.97 0.05 0.00 -1.16 0.00 0.00 32.46 30.15 1lwh n ARG 832 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1lwh s ALA 833 N -2.63 2.87 -0.03 7.54 0.00 0.15 -5.01 121.76 124.64 1lwh s ALA 833 Ca 0.47 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 52.04 1lwh s ALA 833 Cb 0.36 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 1lwh s ALA 833 CO 0.13 -1.19 0.05 0.15 0.00 0.00 0.00 175.76 174.90 1lwh s LYS 834 N -5.38 3.02 -0.07 0.00 1.02 -0.46 -4.82 119.74 113.04 1lwh s LYS 834 Ca 0.59 -0.46 0.03 0.00 0.02 0.00 0.00 55.97 56.14 1lwh s LYS 834 Cb -0.11 -2.83 0.01 0.00 -0.52 0.00 0.00 37.83 34.38 1lwh s LYS 834 CO 0.51 0.67 -0.15 -0.48 -0.92 0.00 0.00 175.35 174.99 1lwh s LEU 835 N -1.42 1.73 -0.03 3.17 0.05 -1.25 -0.80 118.68 120.12 1lwh s LEU 835 Ca 0.19 -0.35 0.05 0.00 0.05 0.00 0.00 54.13 54.07 1lwh s LEU 835 Cb -0.12 -0.94 -0.01 0.00 -2.05 0.00 0.00 46.19 43.07 1lwh s LEU 835 CO 0.09 0.06 -0.20 -1.83 -0.55 0.00 0.00 176.35 173.92 1lwh s GLU 836 N 0.62 1.87 0.22 1.48 -1.05 -0.69 -4.94 118.70 116.20 1lwh s GLU 836 Ca -0.15 -0.71 -0.30 0.00 -0.15 0.00 0.00 54.97 53.66 1lwh s GLU 836 Cb -0.16 -1.68 -0.09 0.00 -0.44 0.00 0.00 34.13 31.76 1lwh s GLU 836 CO 0.05 0.35 1.19 -0.06 0.95 0.00 0.00 175.26 177.73 1lwh s PHE 837 N -0.20 3.42 -0.20 4.83 0.08 -1.26 -0.84 117.98 123.82 1lwh s PHE 837 Ca 0.01 1.47 0.09 0.00 0.12 0.00 0.00 56.93 58.62 1lwh s PHE 837 Cb -0.10 -3.43 -0.12 0.00 -0.57 0.00 0.00 43.02 38.80 1lwh s PHE 837 CO 0.01 -1.15 0.28 1.28 -0.10 0.00 0.00 175.22 175.55 1lwh n LEU 838 N 2.12 0.19 -3.64 -0.37 4.77 0.09 -4.91 117.00 115.25 1lwh n LEU 838 Ca 0.03 -0.22 -0.07 0.00 -0.03 0.00 0.00 56.01 55.71 1lwh n LEU 838 Cb 0.44 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 1lwh n LEU 838 CO 0.56 0.05 0.72 0.00 -1.33 0.00 0.00 177.39 177.38 1lwh s LYS 840 N 0.54 0.49 0.15 0.00 1.02 -1.26 -1.76 119.74 118.93 1lwh s LYS 840 Ca -0.00 -0.01 0.05 0.00 0.02 0.00 0.00 55.97 56.02 1lwh s LYS 840 Cb -0.05 -1.29 -0.04 0.00 -0.52 0.00 0.00 37.83 35.93 1lwh s LYS 840 CO -0.09 -0.43 -0.10 -1.21 -0.92 0.00 0.00 175.35 172.60 1lwh s GLU 841 N 1.98 1.09 0.44 1.68 0.41 -1.18 -5.04 118.70 118.09 1lwh s GLU 841 Ca 0.03 -1.47 0.13 0.00 -0.41 0.00 0.00 54.97 53.25 1lwh s GLU 841 Cb -0.14 -0.66 0.98 0.00 -1.78 0.00 0.00 34.13 32.53 1lwh s GLU 841 CO -0.06 0.08 2.01 -0.44 -0.49 0.00 0.00 175.26 176.35 1lwh h ASP 842 N 2.75 0.11 0.31 -0.19 5.19 -1.96 -3.23 116.42 119.40 1lwh h ASP 842 Ca -0.37 -0.02 -0.14 0.00 -0.62 0.00 0.00 57.03 55.88 1lwh h ASP 842 Cb 1.19 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.65 1lwh h ASP 842 CO 0.63 0.22 -1.82 0.29 -3.12 0.00 0.00 179.24 175.44 1lwh n LYS 843 N -4.37 0.65 -2.23 3.56 5.02 -1.26 -2.05 118.16 117.49 1lwh n LYS 843 Ca -0.02 0.01 -0.02 0.00 -2.02 0.00 0.00 58.31 56.26 1lwh n LYS 843 Cb 0.20 -1.64 -0.01 0.00 -0.02 0.00 0.00 35.03 33.57 1lwh n LYS 843 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 1lwh n PHE 844 N -2.61 -0.05 -3.62 2.13 -1.74 -1.22 -1.72 117.46 108.63 1lwh n PHE 844 Ca -0.13 -0.27 -0.12 0.00 -0.56 0.00 0.00 57.45 56.37 1lwh n PHE 844 Cb 0.80 0.02 -0.07 0.00 1.52 0.00 0.00 39.48 41.75 1lwh n PHE 844 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 1lwh s LEU 845 N 0.00 -0.60 -0.02 5.98 2.96 -0.68 -3.08 118.68 123.24 1lwh s LEU 845 Ca 0.03 1.09 -0.01 0.00 -0.22 0.00 0.00 54.13 55.03 1lwh s LEU 845 Cb 0.00 2.22 0.03 0.00 0.50 0.00 0.00 46.19 48.93 1lwh s LEU 845 CO 0.02 -0.26 0.05 -0.69 -1.32 0.00 0.00 176.35 174.15 1lwh s VAL 846 N 0.06 -0.05 0.21 1.68 1.01 -0.72 -1.02 120.40 121.57 1lwh s VAL 846 Ca -0.00 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.07 1lwh s VAL 846 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 36.23 1lwh s VAL 846 CO -0.01 0.07 0.35 -0.72 0.00 0.00 0.00 175.10 174.80 1lwh s TYR 847 N 0.94 0.51 -0.07 5.22 -0.85 -0.82 -0.73 117.35 121.54 1lwh s TYR 847 Ca -0.08 -0.85 0.03 0.00 -0.52 0.00 0.00 57.07 55.66 1lwh s TYR 847 Cb -0.11 -0.03 0.01 0.00 0.38 0.00 0.00 41.96 42.21 1lwh s TYR 847 CO -0.03 -0.84 -0.17 0.50 -1.52 0.00 0.00 175.55 173.49 1lwh s ARG 848 N -4.02 2.17 -0.15 -3.49 3.52 -0.02 -0.51 118.95 116.45 1lwh s ARG 848 Ca 0.24 -0.60 -0.10 0.00 -0.13 0.00 0.00 55.73 55.14 1lwh s ARG 848 Cb 0.02 -1.73 -0.05 0.00 -1.56 0.00 0.00 34.95 31.64 1lwh s ARG 848 CO 0.06 0.11 0.18 -0.51 -0.81 0.00 0.00 175.30 174.34 1lwh s LEU 849 N 0.48 4.30 0.15 -0.88 1.43 0.61 -1.71 118.68 123.07 1lwh s LEU 849 Ca -0.15 0.43 -0.24 0.00 -1.03 0.00 0.00 54.13 53.14 1lwh s LEU 849 Cb -0.16 -2.17 0.06 0.00 0.03 0.00 0.00 46.19 43.95 1lwh s LEU 849 CO 0.05 0.26 0.82 -0.72 0.23 0.00 0.00 176.35 177.00 1lwh s TYR 850 N -0.26 -0.26 0.36 0.29 -0.85 0.02 -0.14 117.35 116.51 1lwh s TYR 850 Ca 0.13 -0.03 -0.05 0.00 -0.52 0.00 0.00 57.07 56.61 1lwh s TYR 850 Cb -0.12 0.62 0.02 0.00 0.38 0.00 0.00 41.96 42.86 1lwh s TYR 850 CO 0.03 -0.87 0.56 -0.40 -1.52 0.00 0.00 175.55 173.34 1lwh n ASP 851 N -0.40 -1.58 -0.45 -0.18 3.85 0.49 -1.35 116.55 116.91 1lwh n ASP 851 Ca -0.08 -2.82 0.37 0.00 -0.71 0.00 0.00 54.79 51.56 1lwh n ASP 851 Cb 0.61 2.84 0.67 0.00 -1.35 0.00 0.00 41.12 43.90 1lwh n ASP 851 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1lwh h ASP 852 N 1.97 0.20 0.00 -1.12 3.45 -2.01 -2.82 116.42 116.09 1lwh h ASP 852 Ca -0.29 0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.26 1lwh h ASP 852 Cb 1.20 0.07 0.00 0.00 -0.56 0.00 0.00 39.33 40.04 1lwh h ASP 852 CO 0.38 -0.09 0.00 0.00 -1.57 0.00 0.00 179.24 177.96 1lwh n GLN 853 N -4.50 1.49 -4.23 3.56 0.00 -1.26 -5.06 117.38 107.39 1lwh n GLN 853 Ca 0.35 -1.02 -0.17 0.00 0.00 0.00 0.00 57.00 56.17 1lwh n GLN 853 Cb 1.43 -0.85 -0.14 0.00 0.00 0.00 0.00 30.24 30.67 1lwh n GLN 853 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1lwh s HIS 854 N -0.55 0.65 -0.08 2.61 3.76 -1.07 -5.14 115.29 115.47 1lwh s HIS 854 Ca 0.00 -0.18 -0.04 0.00 -0.15 0.00 0.00 55.06 54.69 1lwh s HIS 854 Cb 0.00 -0.41 0.04 0.00 1.11 0.00 0.00 32.58 33.31 1lwh s HIS 854 CO 0.00 -0.02 0.19 0.45 -0.85 0.00 0.00 174.74 174.51 1lwh s SER 855 N -0.40 -0.18 -0.09 1.40 0.15 -1.26 -0.38 113.70 112.93 1lwh s SER 855 Ca 0.01 0.39 -0.04 0.00 0.70 0.00 0.00 55.95 57.01 1lwh s SER 855 Cb -0.04 0.30 0.05 0.00 -1.71 0.00 0.00 66.02 64.62 1lwh s SER 855 CO -0.00 -0.13 0.21 -0.22 1.20 0.00 0.00 173.24 174.29 1lwh s LEU 856 N 0.95 0.31 -0.17 3.45 2.96 0.80 -5.00 118.68 121.98 1lwh s LEU 856 Ca -0.07 0.44 -0.14 0.00 -0.22 0.00 0.00 54.13 54.15 1lwh s LEU 856 Cb -0.09 0.55 -0.05 0.00 0.50 0.00 0.00 46.19 47.11 1lwh s LEU 856 CO -0.05 -0.18 0.28 -0.54 -1.32 0.00 0.00 176.35 174.53 1lwh s LYS 857 N 1.58 4.23 -0.11 1.98 1.02 -1.26 -0.28 119.74 126.89 1lwh s LYS 857 Ca -0.06 0.06 0.02 0.00 0.02 0.00 0.00 55.97 56.01 1lwh s LYS 857 Cb -0.11 -3.44 -0.00 0.00 -0.52 0.00 0.00 37.83 33.75 1lwh s LYS 857 CO -0.07 0.20 -0.20 0.08 -0.92 0.00 0.00 175.35 174.44 1lwh s VAL 858 N 0.59 2.39 -0.20 3.17 1.01 0.33 0.11 120.40 127.81 1lwh s VAL 858 Ca 0.15 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 1lwh s VAL 858 Cb -0.13 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.31 1lwh s VAL 858 CO 0.04 0.55 -0.15 -0.36 0.00 0.00 0.00 175.10 175.18 1lwh s PHE 859 N 0.39 2.86 -0.05 5.22 0.08 -0.29 -1.94 117.98 124.25 1lwh s PHE 859 Ca -0.15 -1.49 0.05 0.00 0.12 0.00 0.00 56.93 55.46 1lwh s PHE 859 Cb -0.17 -1.98 -0.02 0.00 -0.57 0.00 0.00 43.02 40.28 1lwh s PHE 859 CO 0.07 -0.74 -0.19 -1.01 -0.10 0.00 0.00 175.22 173.25 1lwh s HIS 860 N 1.33 2.57 -0.24 0.36 3.76 -0.19 -1.60 115.29 121.28 1lwh s HIS 860 Ca 0.04 -0.39 0.02 0.00 -0.15 0.00 0.00 55.06 54.58 1lwh s HIS 860 Cb -0.14 -1.61 0.05 0.00 1.11 0.00 0.00 32.58 31.99 1lwh s HIS 860 CO -0.10 0.01 -0.10 1.21 -0.85 0.00 0.00 174.74 174.91 1lwh s ASN 861 N -0.48 4.10 0.00 1.40 2.47 -0.49 -1.68 114.94 120.26 1lwh s ASN 861 Ca 0.06 -1.24 0.26 0.00 0.42 0.00 0.00 52.86 52.36 1lwh s ASN 861 Cb -0.12 -1.43 0.59 0.00 -1.45 0.00 0.00 41.25 38.85 1lwh s ASN 861 CO 0.01 -0.18 1.46 0.18 -3.72 0.00 0.00 177.10 174.86 1lwh n LEU 862 N 4.52 0.97 -4.97 3.21 4.32 -0.70 -1.85 117.00 122.51 1lwh n LEU 862 Ca -0.14 -0.24 -0.21 0.00 -0.02 0.00 0.00 56.01 55.39 1lwh n LEU 862 Cb 0.44 -0.14 -0.00 0.00 -1.62 0.00 0.00 43.42 42.09 1lwh n LEU 862 CO 0.21 0.19 0.14 -0.94 -1.22 0.00 0.00 177.39 175.77 1lwh s SER 863 N -2.65 6.04 0.00 -1.43 1.04 -1.19 -4.40 113.70 111.11 1lwh s SER 863 Ca 0.20 0.12 0.12 0.00 0.48 0.00 0.00 55.95 56.87 1lwh s SER 863 Cb 0.19 -1.57 0.61 0.00 0.10 0.00 0.00 66.02 65.34 1lwh s SER 863 CO 0.58 -0.44 1.41 0.61 0.98 0.00 0.00 173.24 176.38 1lwh n GLY 864 N -1.77 -0.57 3.21 7.32 0.00 -1.26 -2.50 105.19 109.61 1lwh n GLY 864 Ca -0.02 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 1lwh n GLY 864 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lwh s GLU 865 N -1.90 1.08 0.51 1.61 2.56 -1.26 -4.68 118.70 116.61 1lwh s GLU 865 Ca 0.20 -0.93 -0.23 0.00 0.00 0.00 0.00 54.97 54.01 1lwh s GLU 865 Cb 0.10 -1.17 -0.07 0.00 2.00 0.00 0.00 34.13 34.99 1lwh s GLU 865 CO 0.15 0.29 1.30 -0.85 -0.56 0.00 0.00 175.26 175.58 1lwh n GLU 866 N 1.61 1.72 -4.06 4.30 0.28 -1.26 -4.21 120.64 119.02 1lwh n GLU 866 Ca -0.19 0.63 -0.10 0.00 -0.16 0.00 0.00 57.16 57.34 1lwh n GLU 866 Cb 0.54 -2.48 -0.11 0.00 1.43 0.00 0.00 31.44 30.82 1lwh n GLU 866 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1lwh s VAL 867 N -1.28 0.35 0.09 3.84 0.11 -0.61 -4.95 120.40 117.95 1lwh s VAL 867 Ca 0.68 -1.30 0.08 0.00 -2.93 0.00 0.00 61.98 58.52 1lwh s VAL 867 Cb -0.45 -0.83 -0.03 0.00 -1.53 0.00 0.00 36.38 33.54 1lwh s VAL 867 CO 0.52 -0.62 -0.21 -0.69 -3.33 0.00 0.00 175.10 170.77 1lwh s VAL 868 N -2.25 1.71 -0.15 2.04 1.01 -1.26 0.01 120.40 121.51 1lwh s VAL 868 Ca -0.05 -1.49 -0.06 0.00 0.00 0.00 0.00 61.98 60.38 1lwh s VAL 868 Cb -0.04 -1.54 0.07 0.00 0.00 0.00 0.00 36.38 34.87 1lwh s VAL 868 CO -0.03 -0.02 0.31 0.12 0.00 0.00 0.00 175.10 175.48 1lwh s PHE 869 N -1.10 -0.53 -0.85 5.22 5.36 0.77 -4.96 117.98 121.89 1lwh s PHE 869 Ca 0.07 1.12 -0.03 0.00 -0.96 0.00 0.00 56.93 57.13 1lwh s PHE 869 Cb -0.10 0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.66 1lwh s PHE 869 CO 0.04 -0.38 0.63 0.39 -1.46 0.00 0.00 175.22 174.44 1lwh n GLU 870 N 5.24 -1.41 -1.97 10.12 1.02 -1.26 -1.77 120.64 130.62 1lwh n GLU 870 Ca -0.09 0.81 -0.17 0.00 -0.02 0.00 0.00 57.16 57.69 1lwh n GLU 870 Cb 0.50 -2.89 -0.04 0.00 -0.02 0.00 0.00 31.44 28.99 1lwh n GLU 870 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1lwh n GLY 871 N -1.70 0.57 2.71 0.62 0.00 -1.26 -4.94 105.19 101.19 1lwh n GLY 871 Ca -0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 1lwh n GLY 871 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lwh s VAL 872 N -2.68 0.13 -0.15 1.61 1.01 -0.73 -5.13 120.40 114.45 1lwh s VAL 872 Ca 0.00 0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.16 1lwh s VAL 872 Cb 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 1lwh s VAL 872 CO 0.00 0.18 0.02 -1.59 0.00 0.00 0.00 175.10 173.71 1lwh s LYS 873 N 2.07 3.66 -0.21 2.72 0.00 -1.26 -0.17 119.74 126.56 1lwh s LYS 873 Ca 0.05 -0.41 -0.10 0.00 0.00 0.00 0.00 55.97 55.51 1lwh s LYS 873 Cb -0.12 -3.03 -0.05 0.00 0.00 0.00 0.00 37.83 34.63 1lwh s LYS 873 CO -0.04 0.37 0.12 -1.64 0.00 0.00 0.00 175.35 174.15 1lwh s MET 874 N 0.07 4.09 0.78 1.78 -1.94 0.10 -4.92 119.30 119.26 1lwh s MET 874 Ca 0.03 -0.27 -0.11 0.00 -1.71 0.00 0.00 55.69 53.63 1lwh s MET 874 Cb -0.13 -3.41 0.06 0.00 2.01 0.00 0.00 34.83 33.36 1lwh s MET 874 CO 0.02 0.20 1.09 0.15 -0.01 0.00 0.00 175.02 176.47 1lwh s LYS 875 N 0.62 2.21 0.22 2.03 1.02 -1.26 -1.58 119.74 123.00 1lwh s LYS 875 Ca 0.07 1.08 -0.31 0.00 0.02 0.00 0.00 55.97 56.82 1lwh s LYS 875 Cb -0.12 -1.90 -0.14 0.00 -0.52 0.00 0.00 37.83 35.15 1lwh s LYS 875 CO 0.01 -1.65 1.33 -0.35 -0.92 0.00 0.00 175.35 173.76 1lwh n PRO 876 N -3.52 1.77 -0.92 -1.68 -0.04 -1.26 -1.66 135.00 127.70 1lwh n PRO 876 Ca 0.09 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 1lwh n PRO 876 Cb 0.53 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 1lwh n PRO 876 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1lwh n TYR 877 N 1.71 0.00 -3.06 0.54 4.01 -0.77 -4.97 117.16 114.62 1lwh n TYR 877 Ca 0.12 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.62 1lwh n TYR 877 Cb 0.30 -1.47 0.00 0.00 -0.31 0.00 0.00 39.34 37.86 1lwh n TYR 877 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1lwh s LYS 878 N -1.39 3.29 0.03 -0.72 1.02 -0.66 -4.58 119.74 116.74 1lwh s LYS 878 Ca 0.00 -0.31 0.03 0.00 0.02 0.00 0.00 55.97 55.71 1lwh s LYS 878 Cb 0.00 -2.56 -0.02 0.00 -0.52 0.00 0.00 37.83 34.73 1lwh s LYS 878 CO 0.00 -0.12 -0.10 0.99 -0.92 0.00 0.00 175.35 175.21 1lwh s THR 879 N -2.51 0.74 -0.16 2.17 2.01 -1.26 -1.40 115.64 115.23 1lwh s THR 879 Ca 0.45 -0.89 -0.11 0.00 0.31 0.00 0.00 61.69 61.46 1lwh s THR 879 Cb -0.10 -0.71 0.05 0.00 0.01 0.00 0.00 72.50 71.75 1lwh s THR 879 CO 0.38 -0.14 0.40 -0.70 -0.69 0.00 0.00 174.62 173.87 1lwh s GLU 880 N -1.14 0.41 0.29 4.92 2.12 -0.63 -5.02 118.70 119.66 1lwh s GLU 880 Ca -0.03 0.67 0.09 0.00 0.36 0.00 0.00 54.97 56.06 1lwh s GLU 880 Cb -0.08 0.08 -0.04 0.00 0.26 0.00 0.00 34.13 34.35 1lwh s GLU 880 CO 0.01 -0.12 0.09 0.14 -0.54 0.00 0.00 175.26 174.84 1lwh s VAL 881 N 0.89 3.51 0.00 3.70 -7.23 -1.26 -1.14 120.40 118.87 1lwh s VAL 881 Ca -0.06 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 1lwh s VAL 881 Cb -0.06 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 33.87 1lwh s VAL 881 CO -0.07 -0.30 0.00 0.52 -0.31 0.00 0.00 175.10 174.94