#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1th0 s LEU 368 N 0.00 0.92 0.22 4.31 1.43 -1.26 -5.12 118.68 119.18 1th0 s LEU 368 Ca 0.00 0.57 -0.30 0.00 -1.03 0.00 0.00 54.13 53.37 1th0 s LEU 368 Cb 0.00 0.97 -0.09 0.00 0.03 0.00 0.00 46.19 47.10 1th0 s LEU 368 CO 0.00 -0.10 1.15 0.42 0.23 0.00 0.00 176.35 178.06 1th0 s THR 369 N 0.16 3.56 0.62 5.49 -4.23 -1.26 -4.78 115.64 115.19 1th0 s THR 369 Ca -0.00 1.40 0.26 0.00 -1.18 0.00 0.00 61.69 62.17 1th0 s THR 369 Cb -0.02 -3.89 0.32 0.00 1.34 0.00 0.00 72.50 70.25 1th0 s THR 369 CO 0.00 0.27 1.74 1.05 -0.54 0.00 0.00 174.62 177.14 1th0 h GLU 370 N 4.69 0.00 0.00 3.99 -0.00 -2.00 2.48 114.58 123.75 1th0 h GLU 370 Ca -0.45 0.00 -0.18 0.00 -0.00 0.00 0.00 59.36 58.72 1th0 h GLU 370 Cb 1.21 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.94 1th0 h GLU 370 CO 0.71 0.00 -0.85 0.22 -0.00 0.00 0.00 179.01 179.09 1th0 h ASP 371 N 0.00 0.10 0.40 3.06 1.82 -1.99 -2.80 116.42 117.02 1th0 h ASP 371 Ca 0.17 -0.08 -0.02 0.00 -0.39 0.00 0.00 57.03 56.71 1th0 h ASP 371 Cb 1.35 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.33 1th0 h ASP 371 CO -0.00 0.90 -0.19 0.24 -1.61 0.00 0.00 179.24 178.58 1th0 h MET 372 N 0.04 -0.52 -0.98 0.28 2.86 0.36 -0.96 114.93 116.01 1th0 h MET 372 Ca -0.02 0.04 0.20 0.00 -2.06 0.00 0.00 59.70 57.85 1th0 h MET 372 Cb 1.48 0.12 -0.09 0.00 0.06 0.00 0.00 31.60 33.17 1th0 h MET 372 CO 0.12 -0.21 0.62 0.93 1.06 0.00 0.00 176.91 179.42 1th0 h GLU 373 N -0.96 0.61 -0.24 1.72 4.39 -0.11 0.15 114.58 120.13 1th0 h GLU 373 Ca -0.06 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.45 1th0 h GLU 373 Cb 0.55 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1th0 h GLU 373 CO 0.09 0.40 -0.46 -0.22 -1.16 0.00 0.00 179.01 177.66 1th0 h LYS 374 N 0.63 0.74 -0.09 2.33 3.64 -1.41 0.16 116.57 122.57 1th0 h LYS 374 Ca 0.55 -0.47 -0.11 0.00 -1.27 0.00 0.00 60.65 59.35 1th0 h LYS 374 Cb 1.04 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1th0 h LYS 374 CO -0.32 1.10 -0.43 1.49 -2.27 0.00 0.00 179.45 179.02 1th0 h GLU 375 N 0.48 0.21 0.18 1.90 4.81 0.02 -1.48 114.58 120.69 1th0 h GLU 375 Ca 0.01 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1th0 h GLU 375 Cb 1.06 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1th0 h GLU 375 CO 0.10 0.61 -0.09 0.82 -0.73 0.00 0.00 179.01 179.72 1th0 h ILE 376 N 0.17 0.93 -0.97 2.32 2.04 -0.62 -1.72 117.51 119.65 1th0 h ILE 376 Ca 0.01 -0.82 0.10 0.00 1.00 0.00 0.00 64.86 65.15 1th0 h ILE 376 Cb 0.84 1.39 -0.07 0.00 -0.74 0.00 0.00 36.82 38.24 1th0 h ILE 376 CO 0.07 0.18 0.62 0.28 0.00 0.00 0.00 178.15 179.30 1th0 h SER 377 N -0.67 0.93 -0.48 1.72 0.02 -0.59 0.09 113.55 114.58 1th0 h SER 377 Ca -0.02 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1th0 h SER 377 Cb 0.48 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 1th0 h SER 377 CO 0.04 0.54 0.08 0.78 -1.14 0.00 0.00 176.83 177.13 1th0 h ASN 378 N 1.03 0.76 -0.71 3.07 -0.26 -1.25 0.54 115.58 118.76 1th0 h ASN 378 Ca 0.45 -0.26 -0.04 0.00 -0.56 0.00 0.00 56.30 55.90 1th0 h ASN 378 Cb 0.36 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.39 1th0 h ASN 378 CO -0.21 0.82 0.29 0.00 -1.06 0.00 0.00 177.43 177.27 1th0 h ALA 379 N 0.96 0.92 0.00 -0.83 0.00 -0.30 -2.75 119.26 117.25 1th0 h ALA 379 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1th0 h ALA 379 Cb 0.39 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1th0 h ALA 379 CO 0.01 0.54 -0.17 -0.07 0.00 0.00 0.00 179.25 179.55 1th0 h LEU 380 N 1.01 0.00 0.00 0.00 3.38 -0.84 -3.45 115.31 115.41 1th0 h LEU 380 Ca 0.24 -0.02 -0.30 0.00 0.09 0.00 0.00 57.88 57.88 1th0 h LEU 380 Cb 0.21 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.09 1th0 h LEU 380 CO -0.02 0.01 0.20 0.61 0.09 0.00 0.00 178.44 179.33 1th0 n GLY 381 N 1.20 -2.02 3.75 0.83 0.00 0.19 -4.95 105.19 104.19 1th0 n GLY 381 Ca 0.04 -1.59 -0.37 0.00 0.00 0.00 0.00 46.02 44.09 1th0 n GLY 381 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1th0 s HIS 382 N -2.79 2.39 0.00 1.61 3.76 -1.26 -4.99 115.29 114.01 1th0 s HIS 382 Ca 0.53 1.45 0.00 0.00 -0.15 0.00 0.00 55.06 56.89 1th0 s HIS 382 Cb -0.03 -3.64 0.00 0.00 1.11 0.00 0.00 32.58 30.02 1th0 s HIS 382 CO 0.39 -2.49 0.00 0.41 -0.85 0.00 0.00 174.74 172.20 1th0 n GLY 383 N 0.65 2.08 3.69 -2.22 0.00 -1.26 -5.05 105.19 103.07 1th0 n GLY 383 Ca 0.11 -1.04 -0.44 0.00 0.00 0.00 0.00 46.02 44.65 1th0 n GLY 383 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1th0 n PRO 384 N -0.91 2.45 0.22 1.61 -0.04 -1.26 -4.86 135.00 132.21 1th0 n PRO 384 Ca 0.00 0.88 0.07 0.00 -0.04 0.00 0.00 63.50 64.41 1th0 n PRO 384 Cb 0.00 -2.70 0.50 0.00 -0.04 0.00 0.00 33.50 31.26 1th0 n PRO 384 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1th0 h GLN 385 N 6.70 0.00 0.00 0.54 1.08 -1.98 -2.35 115.11 119.09 1th0 h GLN 385 Ca -0.45 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 1th0 h GLN 385 Cb 1.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 1th0 h GLN 385 CO 0.92 0.25 0.00 -0.40 -0.95 0.00 0.00 178.83 178.65 1th0 n ASP 386 N -3.97 0.00 -4.64 1.46 5.75 -1.26 -2.76 116.55 111.13 1th0 n ASP 386 Ca -0.02 -0.81 -0.43 0.00 -0.01 0.00 0.00 54.79 53.52 1th0 n ASP 386 Cb 0.32 -0.06 -0.03 0.00 -1.03 0.00 0.00 41.12 40.33 1th0 n ASP 386 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1th0 s GLU 387 N -2.12 3.79 -0.29 0.11 2.12 -0.89 -4.83 118.70 116.60 1th0 s GLU 387 Ca 0.44 2.08 -0.29 0.00 0.36 0.00 0.00 54.97 57.56 1th0 s GLU 387 Cb 0.21 -4.14 -0.00 0.00 0.26 0.00 0.00 34.13 30.46 1th0 s GLU 387 CO 0.39 -1.32 1.31 0.42 -0.54 0.00 0.00 175.26 175.51 1th0 s ILE 388 N 5.53 4.13 -0.09 -3.70 1.01 -1.26 -0.84 121.20 125.99 1th0 s ILE 388 Ca 0.83 1.28 0.21 0.00 0.00 0.00 0.00 60.65 62.97 1th0 s ILE 388 Cb -0.33 -4.13 -0.27 0.00 0.01 0.00 0.00 42.46 37.74 1th0 s ILE 388 CO 0.34 -0.45 0.48 0.18 0.00 0.00 0.00 174.94 175.49 1th0 n LEU 389 N 7.59 0.15 -3.64 2.97 4.77 0.76 -4.96 117.00 124.65 1th0 n LEU 389 Ca 0.15 0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 56.09 1th0 n LEU 389 Cb 0.46 0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.59 1th0 n LEU 389 CO 0.63 0.09 0.43 -0.55 -1.33 0.00 0.00 177.39 176.66 1th0 s SER 390 N -4.90 -0.80 -0.02 -1.43 0.15 -1.01 -4.92 113.70 100.77 1th0 s SER 390 Ca -0.07 1.39 0.03 0.00 0.70 0.00 0.00 55.95 58.00 1th0 s SER 390 Cb 0.12 1.37 -0.00 0.00 -1.71 0.00 0.00 66.02 65.79 1th0 s SER 390 CO 0.87 -0.23 -0.11 -0.44 1.20 0.00 0.00 173.24 174.53 1th0 s SER 391 N 1.03 1.40 0.00 5.45 0.01 -1.26 0.00 113.70 120.33 1th0 s SER 391 Ca -0.05 -0.22 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1th0 s SER 391 Cb -0.05 -0.26 0.00 0.00 0.21 0.00 0.00 66.02 65.92 1th0 s SER 391 CO -0.11 0.12 0.00 0.00 0.41 0.00 0.00 173.24 173.66 1th0 n ALA 392 N 3.01 0.00 -2.91 1.44 0.00 -0.81 -4.98 120.51 116.25 1th0 n ALA 392 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.09 1th0 n ALA 392 Cb 0.55 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.01 1th0 n ALA 392 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1th0 n PHE 393 N -0.26 -1.66 -1.43 0.00 3.01 -1.26 -0.03 117.46 115.84 1th0 n PHE 393 Ca 0.00 0.30 -0.15 0.00 1.01 0.00 0.00 57.45 58.62 1th0 n PHE 393 Cb 0.00 -3.40 -0.06 0.00 -0.01 0.00 0.00 39.48 36.00 1th0 n PHE 393 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1th0 n LYS 394 N -3.48 -1.05 -4.57 -1.08 5.02 -1.26 -4.99 118.16 106.75 1th0 n LYS 394 Ca -0.10 1.01 -0.30 0.00 -2.02 0.00 0.00 58.31 56.90 1th0 n LYS 394 Cb 0.60 -5.15 -0.12 0.00 -0.02 0.00 0.00 35.03 30.34 1th0 n LYS 394 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1th0 s LEU 395 N -3.33 2.65 -0.37 -0.35 1.43 0.95 -5.10 118.68 114.56 1th0 s LEU 395 Ca 0.00 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.68 1th0 s LEU 395 Cb 0.00 -1.54 0.11 0.00 0.03 0.00 0.00 46.19 44.79 1th0 s LEU 395 CO 0.00 0.24 0.12 -0.13 0.23 0.00 0.00 176.35 176.81 1th0 s ARG 396 N -1.60 1.33 -0.38 1.70 1.81 -1.26 -1.93 118.95 118.61 1th0 s ARG 396 Ca 0.15 -1.80 -0.29 0.00 -1.72 0.00 0.00 55.73 52.07 1th0 s ARG 396 Cb -0.11 -2.78 0.01 0.00 -0.45 0.00 0.00 34.95 31.63 1th0 s ARG 396 CO 0.06 -1.01 1.31 0.42 -0.68 0.00 0.00 175.30 175.40 1th0 s ILE 397 N 0.82 4.06 0.69 1.52 -1.09 0.10 -4.94 121.20 122.37 1th0 s ILE 397 Ca 0.13 1.13 -0.04 0.00 -2.23 0.00 0.00 60.65 59.63 1th0 s ILE 397 Cb -0.20 -4.28 0.08 0.00 -1.58 0.00 0.00 42.46 36.48 1th0 s ILE 397 CO -0.10 -0.70 0.98 0.42 -1.23 0.00 0.00 174.94 174.30 1th0 s THR 398 N 4.83 2.32 0.41 2.92 -4.23 -1.26 -0.17 115.64 120.46 1th0 s THR 398 Ca 0.56 -0.40 0.13 0.00 -1.18 0.00 0.00 61.69 60.81 1th0 s THR 398 Cb -0.13 -2.92 0.15 0.00 1.34 0.00 0.00 72.50 70.93 1th0 s THR 398 CO 0.29 0.00 1.93 -0.09 -0.54 0.00 0.00 174.62 176.20 1th0 h ARG 399 N -0.51 0.02 -0.22 3.99 2.43 -0.99 -1.97 114.38 117.13 1th0 h ARG 399 Ca -0.42 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 58.63 1th0 h ARG 399 Cb 1.30 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1th0 h ARG 399 CO 0.53 0.27 -0.35 0.78 -1.51 0.00 0.00 179.97 179.69 1th0 h GLY 400 N 0.76 0.51 0.54 2.80 0.00 -1.80 -2.10 103.07 103.79 1th0 h GLY 400 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1th0 h GLY 400 CO 0.03 0.43 -0.04 -0.55 0.00 0.00 0.00 176.54 176.41 1th0 h ASP 401 N 0.40 -0.09 0.18 0.19 3.32 -1.68 -3.14 116.42 115.60 1th0 h ASP 401 Ca 0.04 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 1th0 h ASP 401 Cb 0.80 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.37 1th0 h ASP 401 CO 0.07 0.37 -0.04 -0.29 -1.72 0.00 0.00 179.24 177.62 1th0 h ILE 402 N -0.57 0.42 0.00 0.35 2.10 -1.37 -1.58 117.51 116.87 1th0 h ILE 402 Ca -0.01 -0.21 0.00 0.00 1.08 0.00 0.00 64.86 65.72 1th0 h ILE 402 Cb 0.48 1.15 0.00 0.00 -1.09 0.00 0.00 36.82 37.35 1th0 h ILE 402 CO 0.02 0.04 0.00 1.56 -1.08 0.00 0.00 178.15 178.69 1th0 h GLN 403 N 0.00 0.00 0.00 2.19 4.20 -1.32 -1.38 115.11 118.80 1th0 h GLN 403 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1th0 h GLN 403 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1th0 h GLN 403 CO 0.01 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.42 1th0 n THR 404 N -2.99 0.32 0.92 -0.54 -2.24 -0.59 -1.62 114.28 107.53 1th0 n THR 404 Ca 0.00 0.08 0.12 0.00 -2.27 0.00 0.00 64.05 61.98 1th0 n THR 404 Cb 0.25 -0.75 0.31 0.00 -2.10 0.00 0.00 70.33 68.05 1th0 n THR 404 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1th0 n LEU 405 N -1.23 0.44 -4.71 3.22 4.77 -0.52 -3.85 117.00 115.12 1th0 n LEU 405 Ca 0.11 0.16 -0.39 0.00 -0.03 0.00 0.00 56.01 55.85 1th0 n LEU 405 Cb 0.14 -0.29 0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1th0 n LEU 405 CO 0.15 0.06 0.89 0.29 -1.33 0.00 0.00 177.39 177.45 1th0 n LYS 406 N -1.63 1.72 -1.61 3.23 5.02 -0.64 -4.76 118.16 119.49 1th0 n LYS 406 Ca 0.05 0.62 -0.45 0.00 -2.02 0.00 0.00 58.31 56.52 1th0 n LYS 406 Cb 0.36 -2.45 -0.02 0.00 -0.02 0.00 0.00 35.03 32.89 1th0 n LYS 406 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1th0 n ASN 407 N -0.46 1.68 0.00 4.39 2.85 -1.26 -1.63 115.26 120.82 1th0 n ASN 407 Ca 0.09 1.17 0.00 0.00 -0.11 0.00 0.00 54.58 55.73 1th0 n ASN 407 Cb 0.43 -1.32 0.00 0.00 1.24 0.00 0.00 39.78 40.13 1th0 n ASN 407 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1th0 n TYR 408 N 0.71 0.00 -4.01 1.20 0.53 -1.26 -5.01 117.16 109.32 1th0 n TYR 408 Ca 0.10 0.00 -0.33 0.00 -1.02 0.00 0.00 57.90 56.65 1th0 n TYR 408 Cb 0.31 -0.49 -0.06 0.00 -1.03 0.00 0.00 39.34 38.07 1th0 n TYR 408 CO 0.00 0.00 0.00 -1.01 -1.02 0.00 0.00 176.86 174.83 1th0 s HIS 409 N -2.69 3.40 0.08 -0.72 3.76 -0.64 -4.85 115.29 113.63 1th0 s HIS 409 Ca 0.00 0.27 -0.30 0.00 -0.15 0.00 0.00 55.06 54.88 1th0 s HIS 409 Cb 0.00 -1.77 -0.05 0.00 1.11 0.00 0.00 32.58 31.86 1th0 s HIS 409 CO 0.00 0.59 1.02 -1.58 -0.85 0.00 0.00 174.74 173.92 1th0 s TRP 410 N -1.26 3.69 0.57 1.40 0.51 -1.26 -4.74 118.94 117.85 1th0 s TRP 410 Ca 0.25 1.68 -0.18 0.00 -2.12 0.00 0.00 56.10 55.73 1th0 s TRP 410 Cb -0.12 -3.15 -0.04 0.00 -0.81 0.00 0.00 33.47 29.34 1th0 s TRP 410 CO 0.16 -0.16 1.12 -0.51 -0.51 0.00 0.00 176.95 177.05 1th0 s LEU 411 N 0.36 3.64 0.51 2.99 1.43 -1.25 -4.72 118.68 121.63 1th0 s LEU 411 Ca 0.50 2.10 0.07 0.00 -1.03 0.00 0.00 54.13 55.77 1th0 s LEU 411 Cb -0.24 -4.57 0.03 0.00 0.03 0.00 0.00 46.19 41.44 1th0 s LEU 411 CO 0.30 -1.31 0.49 0.54 0.23 0.00 0.00 176.35 176.60 1th0 s ASN 412 N -2.05 4.90 0.22 2.29 2.20 -1.26 -4.94 114.94 116.30 1th0 s ASN 412 Ca 0.70 -0.98 -0.08 0.00 -0.94 0.00 0.00 52.86 51.57 1th0 s ASN 412 Cb -0.22 0.05 0.30 0.00 -2.00 0.00 0.00 41.25 39.38 1th0 s ASN 412 CO 0.31 -1.01 1.79 0.44 -2.94 0.00 0.00 177.10 175.69 1th0 h ASP 413 N 0.70 0.51 -0.09 3.54 3.32 -1.99 -2.32 116.42 120.09 1th0 h ASP 413 Ca -0.37 0.05 0.04 0.00 0.02 0.00 0.00 57.03 56.77 1th0 h ASP 413 Cb 1.29 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.74 1th0 h ASP 413 CO 0.53 0.31 -0.22 -0.08 -1.72 0.00 0.00 179.24 178.06 1th0 h GLU 414 N 0.65 -0.29 -0.06 3.56 4.57 -1.97 0.15 114.58 121.19 1th0 h GLU 414 Ca 0.33 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.53 1th0 h GLU 414 Cb 0.29 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1th0 h GLU 414 CO -0.23 -0.19 0.04 0.28 -1.18 0.00 0.00 179.01 177.73 1th0 h VAL 415 N -0.30 1.04 -0.26 0.32 2.07 -1.84 -0.50 116.25 116.78 1th0 h VAL 415 Ca 0.09 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1th0 h VAL 415 Cb 0.43 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1th0 h VAL 415 CO -0.26 0.03 0.11 0.40 0.02 0.00 0.00 177.57 177.87 1th0 h ILE 416 N 0.07 1.17 -0.62 4.57 2.04 -1.18 -1.37 117.51 122.19 1th0 h ILE 416 Ca 0.02 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.37 1th0 h ILE 416 Cb 0.02 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1th0 h ILE 416 CO -0.00 0.18 0.40 0.78 0.00 0.00 0.00 178.15 179.50 1th0 h ASN 417 N 0.28 0.72 -0.41 1.72 2.35 -0.61 -0.89 115.58 118.74 1th0 h ASN 417 Ca 0.09 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 1th0 h ASN 417 Cb 0.18 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1th0 h ASN 417 CO -0.01 0.53 -0.04 0.15 -1.65 0.00 0.00 177.43 176.41 1th0 h PHE 418 N 0.84 0.83 -0.27 1.19 3.57 -0.70 -2.59 116.94 119.81 1th0 h PHE 418 Ca 0.23 -0.16 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 1th0 h PHE 418 Cb -0.07 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 1th0 h PHE 418 CO 0.00 0.85 -0.36 -0.92 -2.23 0.00 0.00 178.31 175.64 1th0 h TYR 419 N 0.57 0.72 -0.58 0.41 3.20 -0.80 -2.24 116.97 118.25 1th0 h TYR 419 Ca 0.11 -0.20 -0.03 0.00 3.14 0.00 0.00 58.73 61.76 1th0 h TYR 419 Cb 0.55 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 1th0 h TYR 419 CO 0.04 0.89 0.27 0.52 -1.64 0.00 0.00 178.16 178.24 1th0 h MET 420 N 0.51 0.85 -0.27 1.82 2.86 -1.09 -1.89 114.93 117.73 1th0 h MET 420 Ca 0.05 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 1th0 h MET 420 Cb 0.87 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 1th0 h MET 420 CO 0.07 0.70 -0.14 -0.91 1.06 0.00 0.00 176.91 177.70 1th0 h ASN 421 N 0.80 0.44 -0.25 1.22 2.35 -1.32 -1.95 115.58 116.86 1th0 h ASN 421 Ca 0.20 -0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 55.77 1th0 h ASN 421 Cb 0.15 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.38 1th0 h ASN 421 CO -0.02 0.61 -0.04 -0.07 -1.65 0.00 0.00 177.43 176.25 1th0 h LEU 422 N 0.42 0.58 -0.80 1.61 3.38 -0.94 -2.37 115.31 117.19 1th0 h LEU 422 Ca 0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1th0 h LEU 422 Cb 0.49 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1th0 h LEU 422 CO 0.03 0.68 0.43 -0.07 0.09 0.00 0.00 178.44 179.60 1th0 h LEU 423 N 0.57 1.00 0.31 1.67 3.38 -0.58 0.12 115.31 121.77 1th0 h LEU 423 Ca 0.11 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1th0 h LEU 423 Cb 0.43 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1th0 h LEU 423 CO 0.02 0.82 -0.15 0.58 0.09 0.00 0.00 178.44 179.80 1th0 h VAL 424 N 1.11 0.70 -0.30 1.22 2.07 -1.10 -0.22 116.25 119.73 1th0 h VAL 424 Ca 0.28 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.78 1th0 h VAL 424 Cb 0.04 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1th0 h VAL 424 CO -0.04 0.00 0.19 -0.33 0.02 0.00 0.00 177.57 177.41 1th0 h GLU 425 N -0.43 0.39 -1.00 1.57 4.39 -1.21 -2.27 114.58 116.03 1th0 h GLU 425 Ca -0.04 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.71 1th0 h GLU 425 Cb 0.33 -0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 28.82 1th0 h GLU 425 CO 0.07 0.26 0.64 -0.09 -1.16 0.00 0.00 179.01 178.73 1th0 h ARG 426 N 0.40 1.09 -0.24 2.33 1.12 -0.64 -1.63 114.38 116.80 1th0 h ARG 426 Ca 0.11 -0.07 -0.09 0.00 -1.11 0.00 0.00 59.98 58.82 1th0 h ARG 426 Cb -0.04 -0.25 -0.01 0.00 -0.01 0.00 0.00 29.97 29.66 1th0 h ARG 426 CO -0.02 0.72 -0.24 -0.91 -3.11 0.00 0.00 179.97 176.41 1th0 h ASN 427 N 1.12 0.45 1.21 -3.80 4.21 -0.51 -2.74 115.58 115.52 1th0 h ASN 427 Ca 0.44 -0.15 -0.09 0.00 1.21 0.00 0.00 56.30 57.72 1th0 h ASN 427 Cb 0.25 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.31 1th0 h ASN 427 CO -0.19 0.70 -0.41 0.50 -1.29 0.00 0.00 177.43 176.73 1th0 h LYS 428 N 0.40 0.00 0.08 0.81 3.11 -0.78 0.14 116.57 120.33 1th0 h LYS 428 Ca 0.06 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.65 1th0 h LYS 428 Cb 0.64 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.88 1th0 h LYS 428 CO 0.05 0.41 -1.12 0.87 -2.81 0.00 0.00 179.45 176.85 1th0 h LYS 429 N 0.00 0.29 -0.56 1.90 1.57 -1.22 -3.34 116.57 115.21 1th0 h LYS 429 Ca -0.00 -0.42 -0.13 0.00 -1.87 0.00 0.00 60.65 58.23 1th0 h LYS 429 Cb 1.13 0.14 -0.08 0.00 0.08 0.00 0.00 32.23 33.50 1th0 h LYS 429 CO 0.05 1.16 0.13 1.04 -0.57 0.00 0.00 179.45 181.26 1th0 n GLN 430 N -3.59 3.49 -3.67 3.15 6.02 -1.05 -4.96 117.38 116.76 1th0 n GLN 430 Ca -0.07 -3.06 -0.26 0.00 -0.01 0.00 0.00 57.00 53.60 1th0 n GLN 430 Cb 0.95 -2.09 0.06 0.00 1.02 0.00 0.00 30.24 30.18 1th0 n GLN 430 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1th0 n GLY 431 N -0.25 -0.53 3.98 1.08 0.00 -1.14 -5.01 105.19 103.33 1th0 n GLY 431 Ca 0.34 0.23 -0.20 0.00 0.00 0.00 0.00 46.02 46.39 1th0 n GLY 431 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1th0 s TYR 432 N -3.30 2.94 0.23 1.61 4.12 0.48 -5.03 117.35 118.40 1th0 s TYR 432 Ca 0.60 -0.12 -0.30 0.00 0.02 0.00 0.00 57.07 57.27 1th0 s TYR 432 Cb -0.28 -2.47 -0.15 0.00 -1.52 0.00 0.00 41.96 37.54 1th0 s TYR 432 CO 0.74 -0.54 0.99 -2.30 0.02 0.00 0.00 175.55 174.46 1th0 n PRO 433 N -2.06 1.06 -1.68 -1.71 -0.02 -1.26 -4.66 135.00 124.68 1th0 n PRO 433 Ca 0.06 0.38 -0.45 0.00 -2.02 0.00 0.00 63.50 61.46 1th0 n PRO 433 Cb 0.59 -1.74 -0.04 0.00 -0.02 0.00 0.00 33.50 32.29 1th0 n PRO 433 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1th0 n ALA 434 N 0.64 1.51 -2.43 3.55 0.00 -1.26 -4.84 120.51 117.68 1th0 n ALA 434 Ca 0.13 0.34 -0.32 0.00 0.00 0.00 0.00 53.44 53.59 1th0 n ALA 434 Cb 0.28 -2.49 -0.14 0.00 0.00 0.00 0.00 19.45 17.10 1th0 n ALA 434 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1th0 s LEU 435 N 2.62 2.48 -0.07 0.00 2.96 -1.26 -1.75 118.68 123.66 1th0 s LEU 435 Ca 0.84 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 54.47 1th0 s LEU 435 Cb -0.61 -1.47 0.02 0.00 0.50 0.00 0.00 46.19 44.62 1th0 s LEU 435 CO 0.42 0.33 -0.10 -2.28 -1.32 0.00 0.00 176.35 173.40 1th0 s HIS 436 N -0.66 1.39 -0.13 5.38 5.65 -0.51 -4.88 115.29 121.53 1th0 s HIS 436 Ca 0.10 -0.54 0.03 0.00 0.25 0.00 0.00 55.06 54.90 1th0 s HIS 436 Cb -0.11 -1.06 0.01 0.00 -1.18 0.00 0.00 32.58 30.24 1th0 s HIS 436 CO 0.00 -0.31 -0.22 0.14 -0.65 0.00 0.00 174.74 173.70 1th0 s VAL 437 N 0.90 1.99 0.39 0.89 -7.23 -1.26 -0.88 120.40 115.19 1th0 s VAL 437 Ca -0.10 -0.95 -0.17 0.00 -1.81 0.00 0.00 61.98 58.95 1th0 s VAL 437 Cb -0.15 -1.76 -0.09 0.00 0.56 0.00 0.00 36.38 34.94 1th0 s VAL 437 CO 0.01 0.54 0.84 -0.36 -0.31 0.00 0.00 175.10 175.82 1th0 s PHE 438 N 0.71 3.37 0.77 2.82 0.40 -0.61 -4.98 117.98 120.45 1th0 s PHE 438 Ca -0.10 1.36 -0.14 0.00 -0.60 0.00 0.00 56.93 57.45 1th0 s PHE 438 Cb -0.16 -2.66 0.06 0.00 0.51 0.00 0.00 43.02 40.77 1th0 s PHE 438 CO 0.01 -0.04 1.19 0.45 0.70 0.00 0.00 175.22 177.53 1th0 s SER 439 N -2.40 3.94 0.44 1.36 0.15 -1.26 -4.47 113.70 111.45 1th0 s SER 439 Ca 0.57 2.31 0.30 0.00 0.70 0.00 0.00 55.95 59.83 1th0 s SER 439 Cb -0.10 -2.58 1.44 0.00 -1.71 0.00 0.00 66.02 63.07 1th0 s SER 439 CO 0.18 -2.43 1.91 0.71 1.20 0.00 0.00 173.24 174.81 1th0 h THR 440 N -0.65 0.00 -0.00 6.45 1.35 -1.91 -2.00 112.91 116.15 1th0 h THR 440 Ca -0.47 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1th0 h THR 440 Cb 1.29 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 1th0 h THR 440 CO 0.48 0.00 -0.44 0.49 -0.25 0.00 0.00 175.52 175.80 1th0 n PHE 441 N -2.64 0.00 0.49 4.73 3.01 -1.26 -4.43 117.46 117.37 1th0 n PHE 441 Ca -0.00 0.00 -0.20 0.00 1.01 0.00 0.00 57.45 58.26 1th0 n PHE 441 Cb 0.17 -0.17 -0.10 0.00 -0.01 0.00 0.00 39.48 39.37 1th0 n PHE 441 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 1th0 h PHE 442 N 0.60 -1.16 -0.33 1.38 3.57 -1.71 -3.16 116.94 116.14 1th0 h PHE 442 Ca 0.00 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.52 1th0 h PHE 442 Cb 0.51 0.38 -0.04 0.00 2.79 0.00 0.00 35.95 39.60 1th0 h PHE 442 CO 0.00 -0.72 0.08 -0.92 -2.23 0.00 0.00 178.31 174.52 1th0 h TYR 443 N -1.29 0.14 -0.33 0.41 3.20 -1.77 -0.82 116.97 116.51 1th0 h TYR 443 Ca -0.13 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.78 1th0 h TYR 443 Cb 0.96 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 1th0 h TYR 443 CO -0.00 0.04 0.22 -1.35 -1.64 0.00 0.00 178.16 175.43 1th0 h PRO 444 N 0.20 0.38 -0.15 1.82 0.11 -1.82 -0.54 132.00 132.01 1th0 h PRO 444 Ca 0.15 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 66.02 1th0 h PRO 444 Cb 0.15 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.19 1th0 h PRO 444 CO -0.19 0.25 -0.78 -0.22 -0.21 0.00 0.00 178.00 176.86 1th0 h LYS 445 N 0.39 0.79 -0.55 1.05 1.63 -1.37 -2.62 116.57 115.89 1th0 h LYS 445 Ca 0.13 -0.65 -0.04 0.00 -0.85 0.00 0.00 60.65 59.24 1th0 h LYS 445 Cb 0.03 0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 1th0 h LYS 445 CO -0.03 1.25 0.19 1.25 -3.45 0.00 0.00 179.45 178.66 1th0 h LEU 446 N 0.52 0.78 -1.45 5.20 5.85 -0.64 -2.20 115.31 123.37 1th0 h LEU 446 Ca -0.06 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.42 1th0 h LEU 446 Cb 1.41 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1th0 h LEU 446 CO 0.16 0.77 -0.26 0.50 -0.34 0.00 0.00 178.44 179.26 1th0 h LYS 447 N 0.75 0.00 -1.11 1.25 3.64 -1.10 -0.16 116.57 119.84 1th0 h LYS 447 Ca 0.18 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 59.00 1th0 h LYS 447 Cb 0.25 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 31.65 1th0 h LYS 447 CO -0.01 0.26 -0.79 -1.13 -2.27 0.00 0.00 179.45 175.51 1th0 n SER 448 N -3.81 4.66 0.00 4.20 3.41 -0.99 -4.65 113.62 116.44 1th0 n SER 448 Ca -0.01 -3.67 0.00 0.00 -0.26 0.00 0.00 58.87 54.93 1th0 n SER 448 Cb 0.36 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1th0 n SER 448 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1th0 n GLY 449 N -0.58 0.23 0.96 5.00 0.00 -0.85 -4.93 105.19 105.02 1th0 n GLY 449 Ca 0.40 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.55 1th0 n GLY 449 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1th0 n GLY 450 N 0.00 -1.72 0.32 -0.02 0.00 -0.08 -3.16 105.19 100.53 1th0 n GLY 450 Ca 0.00 -1.28 0.10 0.00 0.00 0.00 0.00 46.02 44.84 1th0 n GLY 450 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1th0 h TYR 451 N -0.89 0.84 -0.94 1.61 3.20 -1.94 -1.78 116.97 117.06 1th0 h TYR 451 Ca 0.02 0.04 0.11 0.00 3.14 0.00 0.00 58.73 62.03 1th0 h TYR 451 Cb 0.88 -0.24 -0.07 0.00 1.54 0.00 0.00 36.73 38.84 1th0 h TYR 451 CO -2.18 0.15 0.60 1.96 -1.64 0.00 0.00 178.16 177.05 1th0 h GLN 452 N 0.62 0.90 0.00 1.82 1.08 -1.97 0.48 115.11 118.03 1th0 h GLN 452 Ca 0.52 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.67 1th0 h GLN 452 Cb 0.83 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 1th0 h GLN 452 CO -0.40 0.59 0.00 0.00 -0.95 0.00 0.00 178.83 178.07 1th0 n ALA 453 N -2.38 1.50 -0.69 3.87 0.00 -0.67 -3.64 120.51 118.50 1th0 n ALA 453 Ca 0.17 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1th0 n ALA 453 Cb 0.34 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.42 1th0 n ALA 453 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1th0 n VAL 454 N -2.23 0.27 0.25 0.00 0.24 -0.18 -4.85 118.33 111.83 1th0 n VAL 454 Ca 0.01 -0.29 0.10 0.00 -2.04 0.00 0.00 64.34 62.12 1th0 n VAL 454 Cb 0.18 0.94 0.63 0.00 -1.47 0.00 0.00 33.84 34.13 1th0 n VAL 454 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1th0 h LYS 455 N 0.00 0.00 0.00 7.34 2.10 -1.05 -1.77 116.57 123.18 1th0 h LYS 455 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1th0 h LYS 455 Cb 0.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 1th0 h LYS 455 CO 0.00 0.15 0.00 -2.13 -2.00 0.00 0.00 179.45 175.47 1th0 n ARG 456 N -3.92 0.08 0.08 0.07 0.00 -1.26 -3.42 116.66 108.29 1th0 n ARG 456 Ca -0.02 0.10 0.10 0.00 -0.00 0.00 0.00 57.85 58.03 1th0 n ARG 456 Cb 0.24 -1.60 0.43 0.00 0.00 0.00 0.00 32.46 31.53 1th0 n ARG 456 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.63 178.54 1th0 n TRP 457 N -1.74 0.50 -1.35 -0.14 7.02 -0.67 -2.30 117.44 118.77 1th0 n TRP 457 Ca 0.06 0.19 0.04 0.00 -1.02 0.00 0.00 57.50 56.77 1th0 n TRP 457 Cb 0.34 -0.81 0.20 0.00 -2.42 0.00 0.00 31.31 28.62 1th0 n TRP 457 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1th0 n THR 458 N -1.95 2.27 -1.68 -0.99 -2.24 -1.22 -5.01 114.28 103.46 1th0 n THR 458 Ca 0.03 -2.67 -0.42 0.00 -2.27 0.00 0.00 64.05 58.72 1th0 n THR 458 Cb 0.22 -0.27 -0.03 0.00 -2.10 0.00 0.00 70.33 68.15 1th0 n THR 458 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1th0 n LYS 459 N -1.10 2.83 -0.97 -0.78 0.00 -0.97 -1.22 118.16 115.95 1th0 n LYS 459 Ca 0.24 1.03 0.00 0.00 0.00 0.00 0.00 58.31 59.58 1th0 n LYS 459 Cb 0.83 -2.94 0.00 0.00 0.00 0.00 0.00 35.03 32.92 1th0 n LYS 459 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1th0 n GLY 460 N 4.32 0.80 3.62 3.14 0.00 -1.26 -5.02 105.19 110.78 1th0 n GLY 460 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1th0 n GLY 460 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1th0 s VAL 461 N -3.27 3.63 -0.59 1.61 1.01 -0.36 -5.08 120.40 117.35 1th0 s VAL 461 Ca 0.00 -1.09 0.02 0.00 0.00 0.00 0.00 61.98 60.91 1th0 s VAL 461 Cb 0.00 -2.68 0.15 0.00 0.00 0.00 0.00 36.38 33.84 1th0 s VAL 461 CO 0.00 0.17 0.36 0.20 0.00 0.00 0.00 175.10 175.83 1th0 s ASN 462 N -2.09 4.72 0.18 3.32 -0.87 -1.26 -4.99 114.94 113.95 1th0 s ASN 462 Ca 0.22 -3.09 -0.24 0.00 -1.57 0.00 0.00 52.86 48.17 1th0 s ASN 462 Cb -0.11 -1.72 0.06 0.00 -0.02 0.00 0.00 41.25 39.46 1th0 s ASN 462 CO 0.14 -0.25 1.57 -0.07 -2.57 0.00 0.00 177.10 175.92 1th0 h LEU 463 N 6.51 -1.42 0.00 0.60 4.07 -1.98 -0.86 115.31 122.24 1th0 h LEU 463 Ca -0.03 0.25 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1th0 h LEU 463 Cb 0.89 0.66 0.00 0.00 1.08 0.00 0.00 40.66 43.29 1th0 h LEU 463 CO 0.71 -0.33 0.00 0.49 -1.08 0.00 0.00 178.44 178.23 1th0 n PHE 464 N -5.41 0.00 0.08 1.13 3.01 -1.26 -1.61 117.46 113.39 1th0 n PHE 464 Ca 0.03 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.60 1th0 n PHE 464 Cb 0.35 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.79 1th0 n PHE 464 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1th0 n GLU 465 N -0.90 0.62 -2.10 -1.08 1.02 -0.33 -4.90 120.64 112.97 1th0 n GLU 465 Ca 0.09 0.06 -0.28 0.00 -0.02 0.00 0.00 57.16 57.01 1th0 n GLU 465 Cb 0.04 -1.77 0.18 0.00 -0.02 0.00 0.00 31.44 29.87 1th0 n GLU 465 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1th0 s GLN 466 N -3.38 0.76 -0.06 3.49 -1.52 -0.63 -5.01 119.66 113.30 1th0 s GLN 466 Ca -0.02 -0.65 0.03 0.00 -1.95 0.00 0.00 55.36 52.77 1th0 s GLN 466 Cb 0.10 -1.95 -0.06 0.00 -0.22 0.00 0.00 33.01 30.88 1th0 s GLN 466 CO 0.81 -2.27 -0.02 0.39 -0.25 0.00 0.00 175.29 173.96 1th0 n GLU 467 N -3.59 1.78 -4.15 2.91 1.02 -0.72 -4.83 120.64 113.06 1th0 n GLU 467 Ca 0.16 0.02 -0.22 0.00 -0.02 0.00 0.00 57.16 57.10 1th0 n GLU 467 Cb 0.60 -1.14 -0.17 0.00 -0.02 0.00 0.00 31.44 30.71 1th0 n GLU 467 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1th0 s ILE 468 N -2.14 0.68 -0.13 -3.67 1.01 -0.77 -1.09 121.20 115.09 1th0 s ILE 468 Ca -0.06 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.44 1th0 s ILE 468 Cb 0.02 -0.70 -0.00 0.00 0.01 0.00 0.00 42.46 41.79 1th0 s ILE 468 CO 0.20 0.27 -0.18 -0.63 0.00 0.00 0.00 174.94 174.60 1th0 s ILE 469 N 1.12 2.55 -0.12 2.92 1.01 0.35 -1.43 121.20 127.60 1th0 s ILE 469 Ca -0.08 -0.83 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 1th0 s ILE 469 Cb -0.14 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 1th0 s ILE 469 CO -0.01 0.53 -0.02 -0.76 0.00 0.00 0.00 174.94 174.69 1th0 s LEU 470 N 0.55 3.42 -0.29 2.97 1.43 -0.06 -0.06 118.68 126.65 1th0 s LEU 470 Ca -0.11 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.02 1th0 s LEU 470 Cb -0.16 -1.80 0.09 0.00 0.03 0.00 0.00 46.19 44.34 1th0 s LEU 470 CO 0.04 0.28 0.03 -0.69 0.23 0.00 0.00 176.35 176.24 1th0 s VAL 471 N -0.27 1.53 0.32 -1.59 1.01 -0.45 -1.58 120.40 119.38 1th0 s VAL 471 Ca 0.05 -1.63 -0.29 0.00 0.00 0.00 0.00 61.98 60.11 1th0 s VAL 471 Cb -0.12 -2.03 -0.10 0.00 0.00 0.00 0.00 36.38 34.13 1th0 s VAL 471 CO 0.02 -0.46 1.32 -2.84 0.00 0.00 0.00 175.10 173.15 1th0 s PRO 472 N 1.32 4.34 -0.28 2.72 0.02 -1.26 -1.93 135.00 139.93 1th0 s PRO 472 Ca 0.05 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.30 1th0 s PRO 472 Cb -0.18 -3.07 0.05 0.00 0.02 0.00 0.00 34.50 31.31 1th0 s PRO 472 CO -0.13 -0.22 -0.05 0.42 -0.33 0.00 0.00 177.00 176.69 1th0 s ILE 473 N -0.99 2.66 -0.32 2.83 -1.09 1.00 -4.68 121.20 120.60 1th0 s ILE 473 Ca 0.50 -1.47 -0.09 0.00 -2.23 0.00 0.00 60.65 57.36 1th0 s ILE 473 Cb -0.40 -2.53 0.01 0.00 -1.58 0.00 0.00 42.46 37.95 1th0 s ILE 473 CO 0.52 -0.06 0.15 -2.28 -1.23 0.00 0.00 174.94 172.04 1th0 s HIS 474 N 1.20 3.19 -0.21 3.97 2.46 -1.26 -0.62 115.29 124.01 1th0 s HIS 474 Ca -0.06 -0.75 0.01 0.00 0.47 0.00 0.00 55.06 54.72 1th0 s HIS 474 Cb -0.20 -2.36 0.05 0.00 -0.13 0.00 0.00 32.58 29.95 1th0 s HIS 474 CO -0.03 -0.53 -0.07 1.03 -2.47 0.00 0.00 174.74 172.68 1th0 s ARG 475 N 1.57 1.70 6.41 2.88 0.52 -0.37 -4.82 118.95 126.85 1th0 s ARG 475 Ca 0.03 -0.86 0.00 0.00 -0.52 0.00 0.00 55.73 54.39 1th0 s ARG 475 Cb -0.18 -2.43 0.00 0.00 0.52 0.00 0.00 34.95 32.86 1th0 s ARG 475 CO 0.06 -0.52 0.00 1.63 0.02 0.00 0.00 175.30 176.49 1th0 n LYS 476 N 4.71 0.00 0.00 3.54 5.02 -1.26 -0.99 118.16 129.19 1th0 n LYS 476 Ca -0.13 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.29 1th0 n LYS 476 Cb 0.45 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 35.67 1th0 n LYS 476 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1th0 n VAL 477 N 0.00 0.00 -4.12 -0.18 3.14 -1.26 -4.96 118.33 110.95 1th0 n VAL 477 Ca 0.00 -0.41 -0.32 0.00 -2.96 0.00 0.00 64.34 60.64 1th0 n VAL 477 Cb 0.00 1.21 -0.07 0.00 -1.06 0.00 0.00 33.84 33.92 1th0 n VAL 477 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 1th0 s HIS 478 N -2.05 3.24 -0.06 1.45 5.04 -0.16 -5.02 115.29 117.73 1th0 s HIS 478 Ca 0.30 0.17 0.03 0.00 -1.54 0.00 0.00 55.06 54.02 1th0 s HIS 478 Cb 0.20 -1.71 -0.02 0.00 0.04 0.00 0.00 32.58 31.09 1th0 s HIS 478 CO 0.33 0.53 -0.15 -1.58 -2.34 0.00 0.00 174.74 171.54 1th0 s TRP 479 N -1.21 2.69 0.32 3.88 0.52 -1.26 -1.23 118.94 122.66 1th0 s TRP 479 Ca 0.23 -0.26 0.02 0.00 0.02 0.00 0.00 56.10 56.10 1th0 s TRP 479 Cb -0.12 -1.66 -0.01 0.00 -1.15 0.00 0.00 33.47 30.54 1th0 s TRP 479 CO 0.15 0.10 0.38 -1.13 0.02 0.00 0.00 176.95 176.47 1th0 n SER 480 N 2.53 -1.05 -3.85 2.95 3.41 0.21 -4.72 113.62 113.09 1th0 n SER 480 Ca -0.17 -2.87 -0.12 0.00 -0.26 0.00 0.00 58.87 55.45 1th0 n SER 480 Cb 0.52 2.07 -0.14 0.00 -0.26 0.00 0.00 64.21 66.41 1th0 n SER 480 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1th0 s LEU 481 N 0.00 1.79 -0.12 1.04 2.96 -0.14 -0.00 118.68 124.20 1th0 s LEU 481 Ca 0.31 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.32 1th0 s LEU 481 Cb 0.00 0.15 -0.01 0.00 0.50 0.00 0.00 46.19 46.83 1th0 s LEU 481 CO 0.22 -0.02 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.38 1th0 s VAL 482 N 0.07 2.74 -0.21 1.68 1.01 -0.81 0.37 120.40 125.25 1th0 s VAL 482 Ca -0.00 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 1th0 s VAL 482 Cb -0.01 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 1th0 s VAL 482 CO -0.00 0.53 0.01 -0.69 0.00 0.00 0.00 175.10 174.96 1th0 s VAL 483 N 0.38 4.01 -0.38 2.92 1.01 0.12 -1.34 120.40 127.11 1th0 s VAL 483 Ca -0.13 -0.29 -0.09 0.00 0.00 0.00 0.00 61.98 61.47 1th0 s VAL 483 Cb -0.16 -2.82 0.05 0.00 0.00 0.00 0.00 36.38 33.44 1th0 s VAL 483 CO 0.06 0.41 0.20 -0.63 0.00 0.00 0.00 175.10 175.14 1th0 s ILE 484 N 1.14 4.26 -0.60 2.22 1.01 0.92 -0.42 121.20 129.73 1th0 s ILE 484 Ca 0.03 -1.10 -0.17 0.00 0.00 0.00 0.00 60.65 59.41 1th0 s ILE 484 Cb -0.14 -3.46 0.13 0.00 0.01 0.00 0.00 42.46 39.00 1th0 s ILE 484 CO 0.02 -0.31 0.60 -0.62 0.00 0.00 0.00 174.94 174.63 1th0 s ASP 485 N 1.69 6.27 0.51 3.58 -1.08 0.68 -0.49 116.67 127.82 1th0 s ASP 485 Ca 0.01 -1.82 0.23 0.00 -0.52 0.00 0.00 52.55 50.45 1th0 s ASP 485 Cb -0.20 -2.24 1.37 0.00 -1.46 0.00 0.00 42.92 40.39 1th0 s ASP 485 CO 0.04 -0.89 2.10 -0.07 0.52 0.00 0.00 175.17 176.86 1th0 h LEU 486 N 9.06 0.00 -1.05 -1.34 3.38 -1.38 -0.70 115.31 123.29 1th0 h LEU 486 Ca -0.24 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 1th0 h LEU 486 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1th0 h LEU 486 CO 1.02 0.10 -0.26 0.03 0.09 0.00 0.00 178.44 179.42 1th0 h ARG 487 N 0.00 0.36 -0.20 1.13 3.08 -1.90 -3.09 114.38 113.75 1th0 h ARG 487 Ca -0.00 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1th0 h ARG 487 Cb 0.22 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1th0 h ARG 487 CO 0.01 0.60 0.00 1.63 -1.07 0.00 0.00 179.97 181.14 1th0 n LYS 488 N -4.13 2.80 -4.11 0.04 5.02 -1.05 -4.99 118.16 111.73 1th0 n LYS 488 Ca -0.01 -2.03 -0.40 0.00 -2.02 0.00 0.00 58.31 53.85 1th0 n LYS 488 Cb 0.39 -1.28 -0.02 0.00 -0.02 0.00 0.00 35.03 34.10 1th0 n LYS 488 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1th0 n LYS 489 N -0.08 -0.72 -4.24 1.97 5.02 -0.33 -4.79 118.16 114.99 1th0 n LYS 489 Ca 0.10 0.13 -0.18 0.00 -2.02 0.00 0.00 58.31 56.34 1th0 n LYS 489 Cb 0.45 -3.09 -0.13 0.00 -0.02 0.00 0.00 35.03 32.25 1th0 n LYS 489 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1th0 s LEU 491 N -1.21 1.99 -0.05 0.00 1.02 -0.39 -0.23 118.68 119.81 1th0 s LEU 491 Ca -0.01 -0.56 0.04 0.00 0.02 0.00 0.00 54.13 53.62 1th0 s LEU 491 Cb -0.08 -1.35 -0.02 0.00 0.02 0.00 0.00 46.19 44.76 1th0 s LEU 491 CO 0.01 0.05 -0.17 -0.54 0.02 0.00 0.00 176.35 175.71 1th0 s LYS 492 N 0.96 2.47 -0.22 1.70 1.02 0.44 -1.06 119.74 125.05 1th0 s LYS 492 Ca -0.05 -0.76 -0.05 0.00 0.02 0.00 0.00 55.97 55.14 1th0 s LYS 492 Cb -0.15 -2.31 -0.02 0.00 -0.52 0.00 0.00 37.83 34.84 1th0 s LYS 492 CO -0.04 0.58 -0.01 -0.47 -0.92 0.00 0.00 175.35 174.49 1th0 s TYR 493 N -0.62 3.00 -0.26 3.18 5.04 -0.49 0.10 117.35 127.30 1th0 s TYR 493 Ca 0.09 -0.69 -0.02 0.00 -2.44 0.00 0.00 57.07 54.01 1th0 s TYR 493 Cb -0.11 -2.12 0.03 0.00 0.35 0.00 0.00 41.96 40.11 1th0 s TYR 493 CO 0.01 -0.41 -0.04 -0.51 -1.34 0.00 0.00 175.55 173.25 1th0 s LEU 494 N 1.33 3.34 -0.12 6.97 1.02 0.16 -1.35 118.68 130.03 1th0 s LEU 494 Ca 0.04 -0.92 0.00 0.00 0.02 0.00 0.00 54.13 53.27 1th0 s LEU 494 Cb -0.15 -1.69 0.02 0.00 0.02 0.00 0.00 46.19 44.40 1th0 s LEU 494 CO -0.00 -0.15 -0.09 -0.62 0.02 0.00 0.00 176.35 175.50 1th0 s ASP 495 N 1.33 2.25 0.00 2.29 -1.08 -1.26 -0.97 116.67 119.23 1th0 s ASP 495 Ca -0.00 -0.34 0.18 0.00 -0.52 0.00 0.00 52.55 51.87 1th0 s ASP 495 Cb -0.17 -0.91 0.94 0.00 -1.46 0.00 0.00 42.92 41.32 1th0 s ASP 495 CO -0.03 -0.09 1.56 -1.54 0.52 0.00 0.00 175.17 175.58 1th0 n SER 496 N 4.79 0.00 -1.34 -0.34 3.41 -1.26 -2.41 113.62 116.47 1th0 n SER 496 Ca -0.14 -0.02 -0.05 0.00 -0.26 0.00 0.00 58.87 58.40 1th0 n SER 496 Cb 0.50 -0.27 0.22 0.00 -0.26 0.00 0.00 64.21 64.40 1th0 n SER 496 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1th0 n MET 497 N -1.27 2.28 -3.81 4.33 2.81 -1.26 -0.54 117.12 119.66 1th0 n MET 497 Ca 0.09 -3.08 -0.23 0.00 -1.81 0.00 0.00 57.70 52.66 1th0 n MET 497 Cb 0.14 -1.91 0.01 0.00 -0.71 0.00 0.00 33.22 30.75 1th0 n MET 497 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1th0 n GLY 498 N -0.92 -0.29 3.56 3.03 0.00 -1.01 -5.02 105.19 104.54 1th0 n GLY 498 Ca 0.36 0.15 -0.24 0.00 0.00 0.00 0.00 46.02 46.29 1th0 n GLY 498 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1th0 s GLN 499 N -6.23 1.99 0.07 1.61 -1.52 -1.26 -4.91 119.66 109.41 1th0 s GLN 499 Ca 0.02 -1.61 0.02 0.00 -1.95 0.00 0.00 55.36 51.84 1th0 s GLN 499 Cb -0.01 -1.96 -0.04 0.00 -0.22 0.00 0.00 33.01 30.78 1th0 s GLN 499 CO 0.85 0.33 0.15 0.15 -0.25 0.00 0.00 175.29 176.52 1th0 s LYS 500 N -3.60 3.15 -0.52 2.91 1.02 -1.26 -4.58 119.74 116.86 1th0 s LYS 500 Ca 0.31 -0.58 0.07 0.00 0.02 0.00 0.00 55.97 55.79 1th0 s LYS 500 Cb -0.05 -2.88 0.35 0.00 -0.52 0.00 0.00 37.83 34.73 1th0 s LYS 500 CO 0.18 0.58 0.92 0.41 -0.92 0.00 0.00 175.35 176.52 1th0 n GLY 501 N 0.34 5.18 0.37 -3.33 0.00 -1.26 -4.91 105.19 101.57 1th0 n GLY 501 Ca -0.07 -2.55 -0.17 0.00 0.00 0.00 0.00 46.02 43.23 1th0 n GLY 501 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1th0 h HIS 502 N 2.96 -0.83 -0.33 1.61 3.86 -1.99 -1.89 115.15 118.54 1th0 h HIS 502 Ca 0.13 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.25 1th0 h HIS 502 Cb 0.63 0.27 -0.02 0.00 1.06 0.00 0.00 27.41 29.36 1th0 h HIS 502 CO 0.76 -0.50 -0.10 0.00 0.86 0.00 0.00 177.93 178.95 1th0 h ARG 503 N -0.95 0.56 -0.49 2.45 2.47 -1.99 -1.46 114.38 114.96 1th0 h ARG 503 Ca -0.09 -0.16 0.05 0.00 -1.26 0.00 0.00 59.98 58.51 1th0 h ARG 503 Cb 0.70 -0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 28.92 1th0 h ARG 503 CO 0.15 0.66 0.24 0.82 0.56 0.00 0.00 179.97 182.40 1th0 h ILE 504 N 0.52 0.95 -0.62 2.04 2.04 -1.93 0.10 117.51 120.61 1th0 h ILE 504 Ca 0.10 -0.16 -0.10 0.00 1.00 0.00 0.00 64.86 65.70 1th0 h ILE 504 Cb 0.49 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1th0 h ILE 504 CO 0.03 0.09 0.00 0.00 0.00 0.00 0.00 178.15 178.27 1th0 h GLU 506 N 0.99 0.54 -0.89 0.00 5.08 -0.71 0.15 114.58 119.74 1th0 h GLU 506 Ca 0.17 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1th0 h GLU 506 Cb 0.57 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1th0 h GLU 506 CO 0.03 0.39 0.53 0.82 -1.00 0.00 0.00 179.01 179.79 1th0 h ILE 507 N 0.53 1.25 0.00 3.13 2.04 -0.85 -0.97 117.51 122.65 1th0 h ILE 507 Ca 0.15 -0.55 -0.13 0.00 1.00 0.00 0.00 64.86 65.33 1th0 h ILE 507 Cb -0.01 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.05 1th0 h ILE 507 CO -0.03 0.26 -0.60 -0.07 0.00 0.00 0.00 178.15 177.72 1th0 h LEU 508 N 1.23 0.00 -0.53 1.44 3.38 -0.94 -1.67 115.31 118.22 1th0 h LEU 508 Ca 0.32 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.15 1th0 h LEU 508 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1th0 h LEU 508 CO -0.06 0.60 -0.33 -0.07 0.09 0.00 0.00 178.44 178.67 1th0 h LEU 509 N 0.00 0.87 -0.89 1.67 3.38 -0.03 -1.50 115.31 118.80 1th0 h LEU 509 Ca -0.01 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.50 1th0 h LEU 509 Cb 1.12 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1th0 h LEU 509 CO 0.08 1.12 -0.17 -0.61 0.09 0.00 0.00 178.44 178.95 1th0 h GLN 510 N 0.69 0.63 -0.42 1.13 5.75 -1.04 -2.20 115.11 119.65 1th0 h GLN 510 Ca 0.07 -0.22 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 1th0 h GLN 510 Cb 0.89 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.37 1th0 h GLN 510 CO 0.08 0.77 0.27 -0.92 -2.65 0.00 0.00 178.83 176.38 1th0 h TYR 511 N 0.57 0.54 -0.69 3.99 3.20 -0.89 -1.35 116.97 122.35 1th0 h TYR 511 Ca 0.09 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1th0 h TYR 511 Cb 0.61 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 1th0 h TYR 511 CO 0.03 0.36 0.39 -0.07 -1.64 0.00 0.00 178.16 177.23 1th0 h LEU 512 N 0.57 0.83 -0.14 2.82 3.38 -0.96 0.15 115.31 121.96 1th0 h LEU 512 Ca 0.15 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1th0 h LEU 512 Cb -0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1th0 h LEU 512 CO -0.03 0.65 0.05 -0.61 0.09 0.00 0.00 178.44 178.59 1th0 h GLN 513 N 0.95 0.21 -0.37 1.13 5.75 -0.82 0.50 115.11 122.46 1th0 h GLN 513 Ca 0.25 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.66 1th0 h GLN 513 Cb -0.01 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 1th0 h GLN 513 CO -0.04 0.32 0.07 -0.44 -2.65 0.00 0.00 178.83 176.09 1th0 h ASP 514 N 0.06 0.57 -0.93 -0.69 3.32 -0.88 0.39 116.42 118.26 1th0 h ASP 514 Ca 0.05 -0.25 0.02 0.00 0.02 0.00 0.00 57.03 56.86 1th0 h ASP 514 Cb 0.19 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.54 1th0 h ASP 514 CO -0.00 0.68 0.62 -0.08 -1.72 0.00 0.00 179.24 178.73 1th0 h GLU 515 N 0.45 1.21 0.10 3.56 4.57 -0.60 0.37 114.58 124.23 1th0 h GLU 515 Ca 0.11 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1th0 h GLU 515 Cb 0.34 -0.27 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1th0 h GLU 515 CO 0.01 0.80 -0.05 1.03 -1.18 0.00 0.00 179.01 179.62 1th0 h SER 516 N 1.24 -0.11 -0.41 1.04 0.87 -0.59 -0.34 113.55 115.25 1th0 h SER 516 Ca 0.35 -0.36 0.02 0.00 -1.23 0.00 0.00 61.79 60.56 1th0 h SER 516 Cb -0.11 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 1th0 h SER 516 CO -0.08 0.32 0.27 0.50 -0.53 0.00 0.00 176.83 177.31 1th0 h LYS 517 N -0.58 0.49 0.14 2.24 3.64 -0.33 0.86 116.57 123.03 1th0 h LYS 517 Ca -0.01 -0.03 -0.24 0.00 -1.27 0.00 0.00 60.65 59.10 1th0 h LYS 517 Cb 0.47 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1th0 h LYS 517 CO 0.02 0.32 -1.16 1.15 -2.27 0.00 0.00 179.45 177.52 1th0 h THR 518 N 0.51 1.25 0.10 1.00 2.02 -0.92 -3.05 112.91 113.82 1th0 h THR 518 Ca 0.16 -2.48 -0.32 0.00 0.77 0.00 0.00 66.41 64.54 1th0 h THR 518 Cb 0.01 2.94 -0.02 0.00 -1.74 0.00 0.00 68.15 69.35 1th0 h THR 518 CO -0.04 0.71 -1.65 0.11 0.37 0.00 0.00 175.52 175.02 1th0 h LYS 519 N -0.31 0.22 -0.00 6.66 6.56 -0.97 -3.39 116.57 125.34 1th0 h LYS 519 Ca -0.23 -0.37 0.00 0.00 -1.06 0.00 0.00 60.65 58.99 1th0 h LYS 519 Cb 1.74 0.14 0.00 0.00 -0.57 0.00 0.00 32.23 33.53 1th0 h LYS 519 CO 0.11 1.04 -0.49 0.54 -2.06 0.00 0.00 179.45 178.59 1th0 n ARG 520 N -3.40 2.80 -3.37 3.15 1.74 0.26 -5.01 116.66 112.83 1th0 n ARG 520 Ca -0.20 -0.16 -0.16 0.00 -0.77 0.00 0.00 57.85 56.56 1th0 n ARG 520 Cb 1.05 -1.09 0.08 0.00 -1.02 0.00 0.00 32.46 31.48 1th0 n ARG 520 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1th0 n ASN 521 N -1.03 -2.83 -3.50 0.55 5.15 -0.95 -4.99 115.26 107.66 1th0 n ASN 521 Ca 0.03 -0.62 -0.14 0.00 -0.60 0.00 0.00 54.58 53.24 1th0 n ASN 521 Cb 0.20 -5.05 -0.04 0.00 -0.53 0.00 0.00 39.78 34.36 1th0 n ASN 521 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1th0 s SER 522 N -4.17 -0.55 0.16 1.20 1.04 -1.23 -4.99 113.70 105.16 1th0 s SER 522 Ca 0.08 0.26 -0.04 0.00 0.48 0.00 0.00 55.95 56.72 1th0 s SER 522 Cb -0.01 0.55 -0.05 0.00 0.10 0.00 0.00 66.02 66.60 1th0 s SER 522 CO 0.72 -0.79 0.39 -1.81 0.98 0.00 0.00 173.24 172.73 1th0 s ASP 523 N -2.07 6.48 0.48 7.02 1.01 -1.26 -2.06 116.67 126.28 1th0 s ASP 523 Ca -0.04 0.58 -0.19 0.00 0.71 0.00 0.00 52.55 53.61 1th0 s ASP 523 Cb -0.01 -2.09 -0.09 0.00 1.01 0.00 0.00 42.92 41.75 1th0 s ASP 523 CO -0.03 0.03 0.99 -0.76 0.21 0.00 0.00 175.17 175.61 1th0 s LEU 524 N -2.76 3.79 -0.88 1.23 1.43 -1.26 -4.97 118.68 115.25 1th0 s LEU 524 Ca 0.41 1.73 -0.14 0.00 -1.03 0.00 0.00 54.13 55.10 1th0 s LEU 524 Cb -0.12 -4.54 0.21 0.00 0.03 0.00 0.00 46.19 41.78 1th0 s LEU 524 CO 0.25 -0.59 0.88 0.21 0.23 0.00 0.00 176.35 177.32 1th0 s ASN 525 N -2.42 6.81 0.51 2.29 2.47 -1.26 -4.88 114.94 118.46 1th0 s ASN 525 Ca 0.63 -2.70 0.28 0.00 0.42 0.00 0.00 52.86 51.49 1th0 s ASN 525 Cb -0.12 -2.24 1.40 0.00 -1.45 0.00 0.00 41.25 38.84 1th0 s ASN 525 CO 0.22 -0.62 1.88 -0.07 -3.72 0.00 0.00 177.10 174.78 1th0 h LEU 526 N 8.12 0.09 -2.51 3.21 3.38 -1.96 -1.84 115.31 123.80 1th0 h LEU 526 Ca 0.13 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1th0 h LEU 526 Cb 1.02 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1th0 h LEU 526 CO 0.84 0.03 -0.00 -0.07 0.09 0.00 0.00 178.44 179.33 1th0 h LEU 527 N 0.09 0.00 -1.89 1.67 4.07 -2.04 -1.78 115.31 115.43 1th0 h LEU 527 Ca 0.44 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.40 1th0 h LEU 527 Cb 1.60 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.34 1th0 h LEU 527 CO -0.05 0.00 0.00 -1.84 -1.08 0.00 0.00 178.44 175.48 1th0 n GLU 528 N -3.76 2.26 -3.69 1.13 0.28 -0.69 -4.95 120.64 111.23 1th0 n GLU 528 Ca -0.03 -1.88 -0.32 0.00 -0.16 0.00 0.00 57.16 54.77 1th0 n GLU 528 Cb 0.09 -1.48 -0.05 0.00 1.43 0.00 0.00 31.44 31.43 1th0 n GLU 528 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1th0 s TRP 529 N -1.70 3.50 0.16 -1.84 0.52 -0.67 -4.81 118.94 114.08 1th0 s TRP 529 Ca 0.35 0.56 0.02 0.00 0.02 0.00 0.00 56.10 57.06 1th0 s TRP 529 Cb 0.21 -2.00 -0.05 0.00 -1.15 0.00 0.00 33.47 30.48 1th0 s TRP 529 CO 0.30 0.47 -0.03 0.99 0.02 0.00 0.00 176.95 178.70 1th0 s THR 530 N -1.59 0.78 -0.01 2.01 2.01 -0.46 -5.03 115.64 113.36 1th0 s THR 530 Ca 0.39 -1.99 -0.15 0.00 0.31 0.00 0.00 61.69 60.25 1th0 s THR 530 Cb -0.12 -1.99 0.02 0.00 0.01 0.00 0.00 72.50 70.42 1th0 s THR 530 CO 0.23 -0.60 0.32 -1.38 -0.69 0.00 0.00 174.62 172.50 1th0 s HIS 531 N -3.58 -0.18 -0.21 4.92 -3.43 -1.26 -1.26 115.29 110.29 1th0 s HIS 531 Ca 0.20 0.24 -0.16 0.00 -0.80 0.00 0.00 55.06 54.55 1th0 s HIS 531 Cb 0.05 0.11 0.06 0.00 -1.43 0.00 0.00 32.58 31.37 1th0 s HIS 531 CO 0.02 -0.42 0.54 -1.58 -2.00 0.00 0.00 174.74 171.30 1th0 s HIS 532 N -1.52 -0.70 -0.20 0.38 5.04 -0.22 -4.94 115.29 113.13 1th0 s HIS 532 Ca -0.12 1.56 -0.13 0.00 -1.54 0.00 0.00 55.06 54.82 1th0 s HIS 532 Cb -0.04 0.31 -0.05 0.00 0.04 0.00 0.00 32.58 32.84 1th0 s HIS 532 CO 0.03 -0.35 0.28 -1.12 -2.34 0.00 0.00 174.74 171.24 1th0 s SER 533 N 0.86 6.32 0.24 9.88 0.01 -1.26 -1.40 113.70 128.36 1th0 s SER 533 Ca -0.05 0.37 -0.30 0.00 1.31 0.00 0.00 55.95 57.28 1th0 s SER 533 Cb -0.05 -2.17 -0.10 0.00 0.21 0.00 0.00 66.02 63.91 1th0 s SER 533 CO -0.07 0.03 1.46 -0.04 0.41 0.00 0.00 173.24 175.03 1th0 s MET 534 N 0.94 4.25 0.52 12.44 -1.94 -0.46 -4.93 119.30 130.13 1th0 s MET 534 Ca 0.14 2.32 -0.10 0.00 -1.71 0.00 0.00 55.69 56.34 1th0 s MET 534 Cb -0.14 -3.11 -0.05 0.00 2.01 0.00 0.00 34.83 33.54 1th0 s MET 534 CO 0.05 -0.45 0.90 0.15 -0.01 0.00 0.00 175.02 175.66 1th0 s LYS 535 N -0.21 3.67 0.64 2.03 1.02 -1.26 -4.78 119.74 120.85 1th0 s LYS 535 Ca 0.61 0.55 0.29 0.00 0.02 0.00 0.00 55.97 57.43 1th0 s LYS 535 Cb -0.42 -2.24 1.53 0.00 -0.52 0.00 0.00 37.83 36.18 1th0 s LYS 535 CO 0.42 -0.31 1.88 -1.35 -0.92 0.00 0.00 175.35 175.08 1th0 h PRO 536 N 0.33 0.00 -0.01 -1.68 0.11 -1.91 0.11 132.00 128.96 1th0 h PRO 536 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1th0 h PRO 536 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1th0 h PRO 536 CO 0.62 0.00 -0.72 -2.39 -0.21 0.00 0.00 178.00 175.30 1th0 n HIS 537 N -3.11 0.00 0.13 0.65 1.44 -1.26 -4.23 115.22 108.85 1th0 n HIS 537 Ca 0.01 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.80 1th0 n HIS 537 Cb 0.48 -0.02 0.04 0.00 0.12 0.00 0.00 29.99 30.61 1th0 n HIS 537 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1th0 h GLU 538 N 1.09 0.00 -3.55 -1.40 5.08 -1.14 -3.47 114.58 111.19 1th0 h GLU 538 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1th0 h GLU 538 Cb 0.61 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.65 1th0 h GLU 538 CO 0.00 0.13 -0.51 0.96 -1.00 0.00 0.00 179.01 178.60 1th0 s ILE 539 N -3.18 0.09 0.37 3.13 -4.36 -1.20 -4.97 121.20 111.08 1th0 s ILE 539 Ca 0.02 -0.72 -0.28 0.00 -0.26 0.00 0.00 60.65 59.41 1th0 s ILE 539 Cb 0.08 -0.43 -0.11 0.00 1.25 0.00 0.00 42.46 43.25 1th0 s ILE 539 CO 0.75 -0.39 1.45 -0.81 0.24 0.00 0.00 174.94 176.18 1th0 n PRO 540 N 1.44 2.57 -3.98 0.37 -0.04 -1.26 -4.79 135.00 129.30 1th0 n PRO 540 Ca -0.23 0.90 -0.25 0.00 -0.04 0.00 0.00 63.50 63.88 1th0 n PRO 540 Cb 0.55 -2.61 -0.03 0.00 -0.04 0.00 0.00 33.50 31.38 1th0 n PRO 540 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1th0 s GLN 541 N -2.00 3.32 0.06 0.54 -1.52 -1.26 -4.77 119.66 114.02 1th0 s GLN 541 Ca 0.54 -0.69 -0.30 0.00 -1.95 0.00 0.00 55.36 52.96 1th0 s GLN 541 Cb -0.49 -2.88 -0.05 0.00 -0.22 0.00 0.00 33.01 29.37 1th0 s GLN 541 CO 0.63 0.50 1.04 -1.14 -0.25 0.00 0.00 175.29 176.07 1th0 s GLN 542 N -3.33 4.56 0.00 2.91 0.74 0.29 -4.46 119.66 120.38 1th0 s GLN 542 Ca 0.34 1.54 0.07 0.00 0.05 0.00 0.00 55.36 57.36 1th0 s GLN 542 Cb -0.10 -3.40 0.20 0.00 1.10 0.00 0.00 33.01 30.80 1th0 s GLN 542 CO 0.27 -0.03 1.13 1.28 -0.55 0.00 0.00 175.29 177.39 1th0 n LEU 543 N 3.51 2.53 0.00 3.68 4.77 -1.26 -4.89 117.00 125.35 1th0 n LEU 543 Ca 0.06 -1.88 -0.16 0.00 -0.03 0.00 0.00 56.01 53.99 1th0 n LEU 543 Cb 0.49 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.38 1th0 n LEU 543 CO 0.53 0.62 -0.09 -0.46 -1.33 0.00 0.00 177.39 176.66 1th0 n ASN 544 N 0.24 -0.10 -1.87 -1.43 0.23 -1.26 -5.07 115.26 106.00 1th0 n ASN 544 Ca 0.08 -2.67 -0.19 0.00 -0.53 0.00 0.00 54.58 51.27 1th0 n ASN 544 Cb 0.35 1.15 0.16 0.00 -2.08 0.00 0.00 39.78 39.36 1th0 n ASN 544 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1th0 n GLY 545 N -0.38 4.96 0.00 4.83 0.00 -1.26 -4.58 105.19 108.76 1th0 n GLY 545 Ca 0.03 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1th0 n GLY 545 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1th0 n SER 546 N -1.08 0.00 -1.07 1.61 3.41 -1.26 -4.92 113.62 110.31 1th0 n SER 546 Ca 0.50 -0.09 0.10 0.00 -0.26 0.00 0.00 58.87 59.12 1th0 n SER 546 Cb 1.27 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 65.48 1th0 n SER 546 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1th0 n ASP 547 N 0.00 3.13 -0.34 4.04 8.00 -1.26 -4.30 116.55 125.82 1th0 n ASP 547 Ca 0.00 -1.97 0.15 0.00 0.71 0.00 0.00 54.79 53.68 1th0 n ASP 547 Cb 0.02 -0.33 0.36 0.00 -0.02 0.00 0.00 41.12 41.15 1th0 n ASP 547 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1th0 h GLY 549 N 0.69 1.12 0.97 0.00 0.00 -1.85 -1.92 103.07 102.08 1th0 h GLY 549 Ca 0.58 -0.88 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 1th0 h GLY 549 CO -0.37 0.81 0.01 -0.33 0.00 0.00 0.00 176.54 176.65 1th0 h MET 550 N 0.93 0.76 -0.57 4.80 2.07 -1.31 -2.08 114.93 119.53 1th0 h MET 550 Ca 0.15 -0.24 0.00 0.00 -2.07 0.00 0.00 59.70 57.54 1th0 h MET 550 Cb 0.64 -0.07 -0.03 0.00 -1.87 0.00 0.00 31.60 30.27 1th0 h MET 550 CO 0.04 0.83 0.36 0.74 1.07 0.00 0.00 176.91 179.94 1th0 h PHE 551 N 0.60 0.73 -0.59 -0.22 -1.00 -1.04 -0.03 116.94 115.39 1th0 h PHE 551 Ca 0.12 0.01 0.05 0.00 2.81 0.00 0.00 57.97 60.96 1th0 h PHE 551 Cb 0.48 -0.24 -0.05 0.00 3.61 0.00 0.00 35.95 39.75 1th0 h PHE 551 CO 0.04 0.49 0.32 1.15 -1.61 0.00 0.00 178.31 178.70 1th0 h THR 552 N 0.77 0.98 -0.42 -1.55 2.02 -1.16 0.34 112.91 113.88 1th0 h THR 552 Ca 0.21 -0.21 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 1th0 h THR 552 Cb -0.05 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 1th0 h THR 552 CO -0.04 0.11 -0.04 0.00 0.37 0.00 0.00 175.52 175.92 1th0 h LYS 554 N 0.61 0.68 0.07 0.00 1.79 -0.61 0.54 116.57 119.65 1th0 h LYS 554 Ca 0.11 -0.44 0.02 0.00 -2.18 0.00 0.00 60.65 58.16 1th0 h LYS 554 Cb 0.55 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.23 1th0 h LYS 554 CO 0.03 1.06 -0.16 1.88 -1.08 0.00 0.00 179.45 181.18 1th0 h TYR 555 N 0.52 -0.43 -0.25 -1.35 0.99 -0.33 -1.95 116.97 114.17 1th0 h TYR 555 Ca 0.00 0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.80 1th0 h TYR 555 Cb 1.15 0.18 -0.05 0.00 1.00 0.00 0.00 36.73 39.01 1th0 h TYR 555 CO 0.06 -0.24 -0.09 0.00 -0.00 0.00 0.00 178.16 177.88 1th0 h ALA 556 N 0.57 0.12 -0.26 3.88 0.00 -1.28 0.14 119.26 122.44 1th0 h ALA 556 Ca 0.03 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1th0 h ALA 556 Cb 0.34 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1th0 h ALA 556 CO -0.11 -0.50 -0.13 0.22 0.00 0.00 0.00 179.25 178.72 1th0 h ASP 557 N -0.05 -0.44 -0.25 0.00 3.58 -0.60 0.14 116.42 118.80 1th0 h ASP 557 Ca 0.13 0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.63 1th0 h ASP 557 Cb 0.24 0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 1th0 h ASP 557 CO -0.28 -0.17 -0.04 1.88 -2.88 0.00 0.00 179.24 177.75 1th0 h TYR 558 N -0.10 0.51 -0.29 0.28 -1.99 -1.07 -3.18 116.97 111.13 1th0 h TYR 558 Ca 0.14 -0.10 -0.07 0.00 2.00 0.00 0.00 58.73 60.69 1th0 h TYR 558 Cb 0.31 -0.13 -0.02 0.00 2.00 0.00 0.00 36.73 38.90 1th0 h TYR 558 CO -0.31 0.66 -0.14 0.82 -0.00 0.00 0.00 178.16 179.19 1th0 h ILE 559 N 0.21 1.23 0.00 -2.88 2.04 -0.78 -1.18 117.51 116.15 1th0 h ILE 559 Ca 0.07 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 64.87 1th0 h ILE 559 Cb 0.48 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1th0 h ILE 559 CO 0.02 0.34 0.00 0.77 0.00 0.00 0.00 178.15 179.28 1th0 h SER 560 N 0.46 0.00 0.00 1.72 4.64 -0.69 -1.81 113.55 117.87 1th0 h SER 560 Ca 0.08 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 1th0 h SER 560 Cb 0.52 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.53 1th0 h SER 560 CO 0.03 0.00 -0.52 -2.11 -0.87 0.00 0.00 176.83 173.36 1th0 n ARG 561 N -2.61 1.17 -1.39 4.77 1.85 -0.95 -4.29 116.66 115.21 1th0 n ARG 561 Ca -0.01 -2.84 -0.11 0.00 -1.00 0.00 0.00 57.85 53.89 1th0 n ARG 561 Cb 0.09 -1.24 -0.04 0.00 -1.05 0.00 0.00 32.46 30.21 1th0 n ARG 561 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1th0 n ASP 562 N -0.81 -2.87 -4.69 2.89 8.00 -0.68 -4.92 116.55 113.46 1th0 n ASP 562 Ca 0.15 0.26 -0.41 0.00 0.71 0.00 0.00 54.79 55.51 1th0 n ASP 562 Cb 0.77 -2.76 -0.04 0.00 -0.02 0.00 0.00 41.12 39.07 1th0 n ASP 562 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1th0 s LYS 563 N -3.05 4.38 0.24 -1.24 2.20 -0.49 -5.00 119.74 116.78 1th0 s LYS 563 Ca 0.00 0.98 -0.31 0.00 -0.36 0.00 0.00 55.97 56.28 1th0 s LYS 563 Cb 0.00 -3.51 -0.14 0.00 -1.51 0.00 0.00 37.83 32.67 1th0 s LYS 563 CO 0.00 -0.12 1.28 -2.30 -0.36 0.00 0.00 175.35 173.85 1th0 n PRO 564 N 4.45 1.74 -2.43 4.03 -0.02 -1.26 -4.26 135.00 137.25 1th0 n PRO 564 Ca 0.02 0.62 -0.37 0.00 -2.02 0.00 0.00 63.50 61.74 1th0 n PRO 564 Cb 0.50 -2.19 -0.04 0.00 -0.02 0.00 0.00 33.50 31.76 1th0 n PRO 564 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1th0 s ILE 565 N -0.34 3.80 -1.21 4.25 1.01 -1.26 -4.78 121.20 122.67 1th0 s ILE 565 Ca 0.67 -0.66 0.13 0.00 0.00 0.00 0.00 60.65 60.79 1th0 s ILE 565 Cb -0.70 -4.79 0.31 0.00 0.01 0.00 0.00 42.46 37.30 1th0 s ILE 565 CO 0.53 -1.68 1.23 0.35 0.00 0.00 0.00 174.94 175.37 1th0 n THR 566 N 7.14 0.81 -2.06 2.92 -2.24 -1.26 -4.63 114.28 114.96 1th0 n THR 566 Ca 0.35 -0.91 -0.28 0.00 -2.27 0.00 0.00 64.05 60.94 1th0 n THR 566 Cb 0.50 0.65 0.11 0.00 -2.10 0.00 0.00 70.33 69.49 1th0 n THR 566 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1th0 s PHE 567 N -1.02 2.44 0.25 4.78 -0.12 -1.26 -5.10 117.98 117.95 1th0 s PHE 567 Ca 0.25 0.44 -0.01 0.00 -0.05 0.00 0.00 56.93 57.57 1th0 s PHE 567 Cb 0.14 -3.54 -0.03 0.00 -0.63 0.00 0.00 43.02 38.96 1th0 s PHE 567 CO 0.18 -1.91 0.24 0.95 -0.05 0.00 0.00 175.22 174.64 1th0 s THR 568 N -3.53 0.00 0.46 -4.49 -4.23 -1.26 -4.63 115.64 97.97 1th0 s THR 568 Ca 0.65 -1.88 0.26 0.00 -1.18 0.00 0.00 61.69 59.53 1th0 s THR 568 Cb -0.08 -2.48 0.45 0.00 1.34 0.00 0.00 72.50 71.73 1th0 s THR 568 CO 0.48 0.00 1.81 -0.61 -0.54 0.00 0.00 174.62 175.76 1th0 h GLN 569 N 2.41 0.21 -0.00 3.99 5.75 -1.95 -1.69 115.11 123.83 1th0 h GLN 569 Ca -0.31 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.17 1th0 h GLN 569 Cb 1.24 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.75 1th0 h GLN 569 CO 0.45 0.14 0.00 1.25 -2.65 0.00 0.00 178.83 178.03 1th0 h HIS 570 N 0.22 0.00 0.00 3.99 2.76 -1.95 -2.27 115.15 117.89 1th0 h HIS 570 Ca 0.54 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.71 1th0 h HIS 570 Cb 1.72 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.68 1th0 h HIS 570 CO -0.00 0.00 -0.25 1.04 -1.30 0.00 0.00 177.93 177.42 1th0 n GLN 571 N -4.16 0.06 -0.21 5.26 3.00 -0.64 -4.33 117.38 116.36 1th0 n GLN 571 Ca -0.03 0.03 0.01 0.00 -0.01 0.00 0.00 57.00 57.01 1th0 n GLN 571 Cb 0.09 -1.55 0.12 0.00 0.00 0.00 0.00 30.24 28.90 1th0 n GLN 571 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 1th0 h MET 572 N 0.00 0.26 -0.66 -1.09 2.86 -1.54 -0.45 114.93 114.32 1th0 h MET 572 Ca 0.00 -0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.69 1th0 h MET 572 Cb 0.55 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 32.09 1th0 h MET 572 CO 0.00 0.17 0.35 -1.35 1.06 0.00 0.00 176.91 177.14 1th0 h PRO 573 N 0.27 0.61 -0.42 -0.22 0.11 -1.80 -0.25 132.00 130.31 1th0 h PRO 573 Ca 0.33 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.28 1th0 h PRO 573 Cb 0.50 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1th0 h PRO 573 CO -0.42 0.41 -0.22 1.25 -0.21 0.00 0.00 178.00 178.81 1th0 h LEU 574 N 0.63 0.91 -0.99 2.35 5.85 -1.65 -2.68 115.31 119.73 1th0 h LEU 574 Ca 0.30 -0.41 0.11 0.00 0.84 0.00 0.00 57.88 58.72 1th0 h LEU 574 Cb 0.23 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 40.93 1th0 h LEU 574 CO -0.21 1.12 0.62 -0.26 -0.34 0.00 0.00 178.44 179.38 1th0 h PHE 575 N 0.70 1.14 -0.57 1.25 0.05 -0.50 0.16 116.94 119.18 1th0 h PHE 575 Ca 0.09 0.03 -0.03 0.00 3.82 0.00 0.00 57.97 61.89 1th0 h PHE 575 Cb 0.79 -0.36 -0.03 0.00 2.00 0.00 0.00 35.95 38.35 1th0 h PHE 575 CO 0.06 0.48 0.26 0.00 -0.18 0.00 0.00 178.31 178.92 1th0 h ARG 576 N 1.02 0.83 0.04 1.51 3.08 -0.84 0.35 114.38 120.36 1th0 h ARG 576 Ca 0.48 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.40 1th0 h ARG 576 Cb 0.42 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1th0 h ARG 576 CO -0.25 0.69 -0.02 0.87 -1.07 0.00 0.00 179.97 180.19 1th0 h LYS 577 N 0.77 -0.06 -0.38 0.04 1.79 -0.83 -2.51 116.57 115.40 1th0 h LYS 577 Ca 0.19 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.73 1th0 h LYS 577 Cb 0.15 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.76 1th0 h LYS 577 CO -0.02 0.08 0.06 0.87 -1.08 0.00 0.00 179.45 179.36 1th0 h LYS 578 N -0.18 0.18 -0.28 3.15 1.57 -0.57 -2.24 116.57 118.20 1th0 h LYS 578 Ca -0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1th0 h LYS 578 Cb 0.16 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1th0 h LYS 578 CO 0.01 0.12 0.18 1.98 -0.57 0.00 0.00 179.45 181.17 1th0 h MET 579 N 0.18 0.37 -0.30 3.15 4.05 -0.79 0.17 114.93 121.77 1th0 h MET 579 Ca 0.18 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.57 1th0 h MET 579 Cb 0.22 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.92 1th0 h MET 579 CO -0.25 0.25 0.17 0.28 0.23 0.00 0.00 176.91 177.59 1th0 h VAL 580 N 0.38 1.12 0.39 -5.77 2.07 -0.95 -0.06 116.25 113.43 1th0 h VAL 580 Ca 0.10 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1th0 h VAL 580 Cb -0.04 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1th0 h VAL 580 CO -0.02 0.12 -0.19 -0.25 0.02 0.00 0.00 177.57 177.25 1th0 h TRP 581 N 0.37 -0.48 -0.96 1.57 7.01 -1.04 -1.74 115.95 120.66 1th0 h TRP 581 Ca 0.11 -0.01 0.19 0.00 2.11 0.00 0.00 58.89 61.29 1th0 h TRP 581 Cb 0.04 0.16 -0.09 0.00 -2.10 0.00 0.00 29.16 27.18 1th0 h TRP 581 CO -0.04 -0.20 0.61 0.93 -2.79 0.00 0.00 178.44 176.96 1th0 h GLU 582 N -0.72 0.60 -0.03 2.65 5.08 -0.64 0.01 114.58 121.53 1th0 h GLU 582 Ca -0.05 -0.04 -0.24 0.00 -1.00 0.00 0.00 59.36 58.03 1th0 h GLU 582 Cb 0.51 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.63 1th0 h GLU 582 CO 0.09 0.40 -0.95 0.82 -1.00 0.00 0.00 179.01 178.37 1th0 h ILE 583 N 0.62 1.33 -0.51 3.13 2.04 -0.91 0.35 117.51 123.56 1th0 h ILE 583 Ca 0.53 -2.28 -0.08 0.00 1.00 0.00 0.00 64.86 64.03 1th0 h ILE 583 Cb 1.00 2.32 -0.02 0.00 -0.74 0.00 0.00 36.82 39.38 1th0 h ILE 583 CO -0.28 0.70 0.00 -0.07 0.00 0.00 0.00 178.15 178.49 1th0 h LEU 584 N 0.34 0.82 -1.11 1.44 3.38 -0.18 -3.13 115.31 116.88 1th0 h LEU 584 Ca -0.09 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1th0 h LEU 584 Cb 1.59 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1th0 h LEU 584 CO 0.18 0.89 -0.41 1.41 0.09 0.00 0.00 178.44 180.60 1th0 n HIS 585 N -4.20 0.00 -3.76 1.13 8.25 -0.17 -4.91 115.22 111.55 1th0 n HIS 585 Ca 0.03 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.22 1th0 n HIS 585 Cb 0.31 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.47 1th0 n HIS 585 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1th0 n GLN 586 N 0.14 -6.68 -3.77 -0.41 6.02 0.11 -4.98 117.38 107.82 1th0 n GLN 586 Ca 0.10 0.71 -0.13 0.00 -0.01 0.00 0.00 57.00 57.66 1th0 n GLN 586 Cb 0.47 -5.67 -0.14 0.00 1.02 0.00 0.00 30.24 25.92 1th0 n GLN 586 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1th0 s GLN 587 N -6.45 0.11 0.13 -1.09 -1.52 -0.64 -5.03 119.66 105.17 1th0 s GLN 587 Ca 0.61 0.32 -0.12 0.00 -1.95 0.00 0.00 55.36 54.21 1th0 s GLN 587 Cb -0.29 -0.11 -0.07 0.00 -0.22 0.00 0.00 33.01 32.33 1th0 s GLN 587 CO 0.78 -0.12 0.50 -0.51 -0.25 0.00 0.00 175.29 175.69 1th0 s LEU 588 N 0.87 4.33 0.00 2.90 1.43 -1.26 -4.19 118.68 122.75 1th0 s LEU 588 Ca -0.07 0.97 0.27 0.00 -1.03 0.00 0.00 54.13 54.28 1th0 s LEU 588 Cb -0.09 -3.22 0.84 0.00 0.03 0.00 0.00 46.19 43.75 1th0 s LEU 588 CO -0.04 0.11 1.63 0.18 0.23 0.00 0.00 176.35 178.45