#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1th0 s LEU 365 N 0.00 1.53 0.00 -2.67 1.43 -1.26 -5.07 118.68 112.65 1th0 s LEU 365 Ca 0.00 1.42 0.00 0.00 -1.03 0.00 0.00 54.13 54.52 1th0 s LEU 365 Cb 0.00 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1th0 s LEU 365 CO 0.00 -3.41 0.00 0.00 0.23 0.00 0.00 176.35 173.17 1th0 n LEU 366 N -4.38 0.00 -4.58 1.79 -0.00 -1.26 -5.14 117.00 103.42 1th0 n LEU 366 Ca 0.05 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.70 1th0 n LEU 366 Cb 0.55 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.87 1th0 n LEU 366 CO 0.57 0.00 -0.22 -0.70 -0.00 0.00 0.00 177.39 177.03 1th0 s GLU 367 N -2.00 3.91 0.40 1.47 2.12 -1.26 -5.08 118.70 118.26 1th0 s GLU 367 Ca 0.00 -0.36 -0.23 0.00 0.36 0.00 0.00 54.97 54.74 1th0 s GLU 367 Cb 0.00 -3.41 -0.10 0.00 0.26 0.00 0.00 34.13 30.88 1th0 s GLU 367 CO 0.00 0.01 0.99 -0.51 -0.54 0.00 0.00 175.26 175.21 1th0 s LEU 368 N 1.14 4.09 0.45 2.70 1.43 -1.26 -5.06 118.68 122.17 1th0 s LEU 368 Ca 0.06 1.86 -0.02 0.00 -1.03 0.00 0.00 54.13 54.99 1th0 s LEU 368 Cb -0.14 -4.31 -0.02 0.00 0.03 0.00 0.00 46.19 41.75 1th0 s LEU 368 CO 0.04 -0.38 0.70 -0.89 0.23 0.00 0.00 176.35 176.06 1th0 s THR 369 N -1.86 4.54 0.19 5.49 2.01 -1.26 -4.91 115.64 119.85 1th0 s THR 369 Ca 0.58 -0.20 -0.12 0.00 0.31 0.00 0.00 61.69 62.26 1th0 s THR 369 Cb -0.16 -3.70 0.10 0.00 0.01 0.00 0.00 72.50 68.75 1th0 s THR 369 CO 0.21 -0.58 1.85 -0.08 -0.69 0.00 0.00 174.62 175.33 1th0 h GLU 370 N 0.36 0.77 0.00 4.92 4.57 -1.98 0.86 114.58 124.08 1th0 h GLU 370 Ca -0.47 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 57.64 1th0 h GLU 370 Cb 1.23 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.64 1th0 h GLU 370 CO 0.60 0.51 -0.11 -0.44 -1.18 0.00 0.00 179.01 178.39 1th0 h ASP 371 N 0.80 0.00 0.01 1.04 3.32 -1.99 0.96 116.42 120.56 1th0 h ASP 371 Ca 0.24 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 1th0 h ASP 371 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1th0 h ASP 371 CO -0.07 0.11 -0.01 0.24 -1.72 0.00 0.00 179.24 177.79 1th0 h MET 372 N 0.00 -0.02 -0.28 3.56 2.86 -1.70 -2.77 114.93 116.59 1th0 h MET 372 Ca -0.00 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 1th0 h MET 372 Cb 0.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1th0 h MET 372 CO 0.01 0.65 0.24 0.93 1.06 0.00 0.00 176.91 179.81 1th0 h GLU 373 N -0.98 0.00 0.57 1.72 5.08 -0.67 0.11 114.58 120.42 1th0 h GLU 373 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1th0 h GLU 373 Cb 0.68 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.93 1th0 h GLU 373 CO 0.00 0.00 -0.28 -0.22 -1.00 0.00 0.00 179.01 177.52 1th0 h LYS 374 N 0.00 -0.74 0.00 2.33 3.64 -0.84 -0.81 116.57 120.15 1th0 h LYS 374 Ca 0.13 0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 1th0 h LYS 374 Cb 0.61 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1th0 h LYS 374 CO -0.00 -0.45 -0.14 1.49 -2.27 0.00 0.00 179.45 178.08 1th0 h GLU 375 N -1.12 0.00 -0.06 1.90 4.81 -1.05 -0.03 114.58 119.04 1th0 h GLU 375 Ca -0.08 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1th0 h GLU 375 Cb 0.64 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 1th0 h GLU 375 CO 0.13 0.14 -0.09 0.82 -0.73 0.00 0.00 179.01 179.27 1th0 h ILE 376 N 0.00 1.41 -0.07 2.32 2.04 -0.80 -1.72 117.51 120.69 1th0 h ILE 376 Ca -0.00 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.48 1th0 h ILE 376 Cb 0.28 2.19 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1th0 h ILE 376 CO 0.02 0.38 -0.00 0.28 0.00 0.00 0.00 178.15 178.82 1th0 h SER 377 N -0.33 0.09 0.16 1.72 0.02 -0.69 -1.84 113.55 112.68 1th0 h SER 377 Ca 0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1th0 h SER 377 Cb 0.66 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1th0 h SER 377 CO 0.02 0.11 -0.08 -1.13 -1.14 0.00 0.00 176.83 174.62 1th0 h ASN 378 N 0.10 -0.19 -0.45 3.07 -1.24 -0.75 0.17 115.58 116.30 1th0 h ASN 378 Ca 0.03 -0.10 -0.11 0.00 0.71 0.00 0.00 56.30 56.83 1th0 h ASN 378 Cb 0.08 0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.16 1th0 h ASN 378 CO 0.00 -0.02 -0.12 0.00 -1.29 0.00 0.00 177.43 176.01 1th0 h ALA 379 N 0.47 0.86 0.12 1.57 0.00 -0.78 -3.19 119.26 118.31 1th0 h ALA 379 Ca -0.02 -0.34 -0.30 0.00 0.00 0.00 0.00 54.91 54.25 1th0 h ALA 379 Cb 0.27 -0.18 0.03 0.00 0.00 0.00 0.00 17.79 17.91 1th0 h ALA 379 CO 0.04 0.64 -1.23 -0.07 0.00 0.00 0.00 179.25 178.63 1th0 h LEU 380 N 0.82 0.88 -9.64 0.00 3.38 -1.37 -3.45 115.31 105.93 1th0 h LEU 380 Ca 0.13 -0.82 -0.45 0.00 0.09 0.00 0.00 57.88 56.83 1th0 h LEU 380 Cb 0.65 -0.28 0.23 0.00 0.09 0.00 0.00 40.66 41.36 1th0 h LEU 380 CO 0.05 1.61 -1.14 0.61 0.09 0.00 0.00 178.44 179.66 1th0 n GLY 381 N 1.38 -2.53 3.60 0.83 0.00 0.60 -4.92 105.19 104.15 1th0 n GLY 381 Ca -0.14 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.77 1th0 n GLY 381 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1th0 n HIS 382 N -4.44 0.41 0.00 1.61 8.25 -1.26 -4.98 115.22 114.81 1th0 n HIS 382 Ca 0.00 0.37 0.00 0.00 -0.26 0.00 0.00 57.72 57.84 1th0 n HIS 382 Cb 0.63 -2.03 0.00 0.00 1.12 0.00 0.00 29.99 29.71 1th0 n HIS 382 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1th0 n GLY 383 N 1.03 0.54 3.76 -1.41 0.00 -1.26 -5.03 105.19 102.82 1th0 n GLY 383 Ca 0.12 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 1th0 n GLY 383 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1th0 s PRO 384 N -1.92 3.40 0.16 1.61 0.04 -1.26 -4.93 135.00 132.10 1th0 s PRO 384 Ca 0.00 2.30 -0.03 0.00 0.04 0.00 0.00 61.00 63.31 1th0 s PRO 384 Cb 0.00 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1th0 s PRO 384 CO 0.00 -1.00 1.39 0.37 0.04 0.00 0.00 177.00 177.79 1th0 h GLN 385 N 1.86 0.42 -0.05 4.56 5.75 -2.00 -3.25 115.11 122.40 1th0 h GLN 385 Ca -0.51 -0.38 0.00 0.00 -0.15 0.00 0.00 58.65 57.61 1th0 h GLN 385 Cb 1.28 0.09 0.00 0.00 1.07 0.00 0.00 27.48 29.92 1th0 h GLN 385 CO 0.59 1.02 0.00 -0.25 -2.65 0.00 0.00 178.83 177.54 1th0 n ASP 386 N -3.81 0.91 -4.60 -0.69 8.00 -1.26 -2.11 116.55 112.98 1th0 n ASP 386 Ca -0.05 -1.44 -0.43 0.00 0.71 0.00 0.00 54.79 53.58 1th0 n ASP 386 Cb 0.75 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.79 1th0 n ASP 386 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1th0 s GLU 387 N -1.94 3.27 -0.14 -1.24 2.12 -1.23 -4.78 118.70 114.77 1th0 s GLU 387 Ca 0.36 1.65 -0.29 0.00 0.36 0.00 0.00 54.97 57.05 1th0 s GLU 387 Cb 0.18 -4.26 -0.04 0.00 0.26 0.00 0.00 34.13 30.27 1th0 s GLU 387 CO 0.29 -1.93 1.66 0.42 -0.54 0.00 0.00 175.26 175.16 1th0 s ILE 388 N 7.36 3.62 -0.05 -3.70 1.01 -1.26 -1.51 121.20 126.67 1th0 s ILE 388 Ca 0.87 0.72 0.22 0.00 0.00 0.00 0.00 60.65 62.46 1th0 s ILE 388 Cb -0.26 -3.56 -0.32 0.00 0.01 0.00 0.00 42.46 38.33 1th0 s ILE 388 CO 0.34 -0.16 0.44 0.18 0.00 0.00 0.00 174.94 175.74 1th0 n LEU 389 N 7.93 0.01 -3.67 2.97 4.77 0.40 -4.97 117.00 124.44 1th0 n LEU 389 Ca 0.18 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.05 1th0 n LEU 389 Cb 0.44 0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.51 1th0 n LEU 389 CO 0.63 0.06 0.28 -0.55 -1.33 0.00 0.00 177.39 176.48 1th0 s SER 390 N -4.65 -0.67 -0.03 -1.43 0.15 -1.15 -4.90 113.70 101.02 1th0 s SER 390 Ca -0.08 1.23 0.01 0.00 0.70 0.00 0.00 55.95 57.81 1th0 s SER 390 Cb 0.13 1.21 0.02 0.00 -1.71 0.00 0.00 66.02 65.67 1th0 s SER 390 CO 0.90 -0.21 -0.03 -0.55 1.20 0.00 0.00 173.24 174.54 1th0 s SER 391 N 0.65 0.74 0.00 5.45 0.15 -1.26 -1.23 113.70 118.20 1th0 s SER 391 Ca -0.03 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1th0 s SER 391 Cb -0.05 -0.34 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 1th0 s SER 391 CO -0.04 -0.05 0.00 0.00 1.20 0.00 0.00 173.24 174.35 1th0 n ALA 392 N 3.94 0.00 -2.08 5.45 0.00 -0.85 -4.99 120.51 121.99 1th0 n ALA 392 Ca -0.25 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.06 1th0 n ALA 392 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.04 -1.01 -1.22 0.00 3.01 -1.26 0.35 117.46 117.30 1th0 n PHE 393 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.38 1th0 n PHE 393 Cb 0.00 -2.82 -0.03 0.00 -0.01 0.00 0.00 39.48 36.61 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 -2.51 -0.72 -4.35 -1.08 5.02 -1.26 -5.01 118.16 108.26 1th0 n LYS 394 Ca -0.15 0.71 -0.30 0.00 -2.02 0.00 0.00 58.31 56.55 1th0 n LYS 394 Cb 0.56 -4.57 -0.11 0.00 -0.02 0.00 0.00 35.03 30.90 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 -1.72 2.90 -0.33 -0.35 2.01 0.15 -5.10 118.68 116.23 1th0 s LEU 395 Ca 0.00 -0.41 -0.00 0.00 0.01 0.00 0.00 54.13 53.73 1th0 s LEU 395 Cb 0.00 -1.71 0.11 0.00 0.01 0.00 0.00 46.19 44.60 1th0 s LEU 395 CO 0.00 0.20 0.12 -0.13 1.01 0.00 0.00 176.35 177.56 1th0 s ARG 396 N -1.97 0.85 -0.31 1.70 0.52 -1.26 -2.00 118.95 116.48 1th0 s ARG 396 Ca 0.19 -1.28 -0.29 0.00 -0.52 0.00 0.00 55.73 53.83 1th0 s ARG 396 Cb -0.11 -2.10 -0.01 0.00 0.52 0.00 0.00 34.95 33.26 1th0 s ARG 396 CO 0.11 -1.02 1.55 0.42 0.02 0.00 0.00 175.30 176.38 1th0 s ILE 397 N 1.35 3.77 0.56 1.52 -1.09 -0.36 -4.95 121.20 121.99 1th0 s ILE 397 Ca 0.11 0.83 0.00 0.00 -2.23 0.00 0.00 60.65 59.37 1th0 s ILE 397 Cb -0.19 -3.90 0.03 0.00 -1.58 0.00 0.00 42.46 36.82 1th0 s ILE 397 CO -0.19 -0.48 0.79 0.42 -1.23 0.00 0.00 174.94 174.25 1th0 s THR 398 N 5.52 2.75 0.44 2.92 -4.23 -1.26 -0.46 115.64 121.32 1th0 s THR 398 Ca 0.68 -0.60 0.12 0.00 -1.18 0.00 0.00 61.69 60.71 1th0 s THR 398 Cb -0.20 -3.04 0.22 0.00 1.34 0.00 0.00 72.50 70.81 1th0 s THR 398 CO 0.30 -0.03 2.03 -0.09 -0.54 0.00 0.00 174.62 176.29 1th0 h ARG 399 N 0.02 0.20 -0.79 3.99 2.43 -1.19 -1.05 114.38 117.99 1th0 h ARG 399 Ca -0.43 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 58.67 1th0 h ARG 399 Cb 1.29 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 1th0 h ARG 399 CO 0.53 0.23 0.32 0.78 -1.51 0.00 0.00 179.97 180.32 1th0 h GLY 400 N 0.45 1.26 0.78 2.80 0.00 -1.70 -1.95 103.07 104.72 1th0 h GLY 400 Ca 0.05 -0.68 -0.07 0.00 0.00 0.00 0.00 47.33 46.63 1th0 h GLY 400 CO 0.00 0.64 -0.16 -0.55 0.00 0.00 0.00 176.54 176.48 1th0 h ASP 401 N 1.15 0.44 0.44 0.19 3.32 -1.52 -3.12 116.42 117.31 1th0 h ASP 401 Ca 0.26 -0.47 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 1th0 h ASP 401 Cb 0.21 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1th0 h ASP 401 CO -0.02 0.82 -0.08 -0.29 -1.72 0.00 0.00 179.24 177.95 1th0 h ILE 402 N 0.06 0.35 0.00 0.35 2.10 -1.18 -1.86 117.51 117.33 1th0 h ILE 402 Ca 0.03 -0.45 0.00 0.00 1.08 0.00 0.00 64.86 65.52 1th0 h ILE 402 Cb 0.69 1.33 0.00 0.00 -1.09 0.00 0.00 36.82 37.75 1th0 h ILE 402 CO 0.04 0.08 0.00 0.00 -1.08 0.00 0.00 178.15 177.19 1th0 n GLN 403 N -3.43 0.05 0.00 2.19 6.02 -0.74 -1.68 117.38 119.80 1th0 n GLN 403 Ca -0.01 0.25 0.10 0.00 -0.01 0.00 0.00 57.00 57.32 1th0 n GLN 403 Cb 0.23 -1.59 0.45 0.00 1.02 0.00 0.00 30.24 30.35 1th0 n GLN 403 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1th0 n THR 404 N -1.68 0.54 0.63 5.09 -2.24 -0.70 -1.98 114.28 113.95 1th0 n THR 404 Ca 0.04 0.14 0.12 0.00 -2.27 0.00 0.00 64.05 62.08 1th0 n THR 404 Cb 0.22 -0.78 0.28 0.00 -2.10 0.00 0.00 70.33 67.95 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 -1.49 0.70 -4.72 3.22 4.77 -0.68 -3.84 117.00 114.95 1th0 n LEU 405 Ca 0.05 0.35 -0.39 0.00 -0.03 0.00 0.00 56.01 55.99 1th0 n LEU 405 Cb 0.24 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1th0 n LEU 405 CO 0.19 -0.09 0.93 0.29 -1.33 0.00 0.00 177.39 177.39 1th0 n LYS 406 N -2.10 1.79 -1.56 3.23 5.02 -0.84 -4.75 118.16 118.94 1th0 n LYS 406 Ca 0.04 0.65 -0.42 0.00 -2.02 0.00 0.00 58.31 56.56 1th0 n LYS 406 Cb 0.43 -2.50 0.01 0.00 -0.02 0.00 0.00 35.03 32.94 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 -0.52 0.67 0.00 4.39 4.05 -1.26 -1.91 115.26 120.68 1th0 n ASN 407 Ca 0.09 1.01 0.00 0.00 0.45 0.00 0.00 54.58 56.13 1th0 n ASN 407 Cb 0.43 -1.28 0.00 0.00 1.23 0.00 0.00 39.78 40.16 1th0 n ASN 407 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1th0 n TYR 408 N -0.54 0.00 -4.10 1.20 0.53 -1.26 -5.00 117.16 107.99 1th0 n TYR 408 Ca 0.10 0.00 -0.31 0.00 -1.02 0.00 0.00 57.90 56.67 1th0 n TYR 408 Cb 0.38 -0.94 -0.07 0.00 -1.03 0.00 0.00 39.34 37.68 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 -1.57 3.14 -0.10 -0.72 3.76 -0.80 -4.88 115.29 114.11 1th0 s HIS 409 Ca 0.00 0.07 -0.23 0.00 -0.15 0.00 0.00 55.06 54.75 1th0 s HIS 409 Cb 0.00 -1.62 -0.03 0.00 1.11 0.00 0.00 32.58 32.04 1th0 s HIS 409 CO 0.00 0.51 0.70 -1.58 -0.85 0.00 0.00 174.74 173.51 1th0 s TRP 410 N -1.31 3.52 0.54 1.40 0.51 -1.26 -4.78 118.94 117.58 1th0 s TRP 410 Ca 0.26 1.19 -0.21 0.00 -2.12 0.00 0.00 56.10 55.22 1th0 s TRP 410 Cb -0.12 -2.82 -0.05 0.00 -0.81 0.00 0.00 33.47 29.67 1th0 s TRP 410 CO 0.19 0.01 1.22 -0.51 -0.51 0.00 0.00 176.95 177.35 1th0 s LEU 411 N 1.13 3.80 0.56 2.99 1.43 -1.25 -4.75 118.68 122.59 1th0 s LEU 411 Ca 0.36 2.43 0.09 0.00 -1.03 0.00 0.00 54.13 55.98 1th0 s LEU 411 Cb -0.17 -4.43 0.08 0.00 0.03 0.00 0.00 46.19 41.69 1th0 s LEU 411 CO 0.16 -1.38 0.73 0.54 0.23 0.00 0.00 176.35 176.62 1th0 s ASN 412 N -1.40 5.06 0.17 2.29 2.20 -1.26 -4.95 114.94 117.05 1th0 s ASN 412 Ca 0.72 -0.88 -0.14 0.00 -0.94 0.00 0.00 52.86 51.62 1th0 s ASN 412 Cb -0.32 0.27 0.13 0.00 -2.00 0.00 0.00 41.25 39.33 1th0 s ASN 412 CO 0.36 -1.28 1.77 0.44 -2.94 0.00 0.00 177.10 175.45 1th0 h ASP 413 N 0.28 0.26 -0.09 3.54 3.32 -1.99 -2.78 116.42 118.97 1th0 h ASP 413 Ca -0.31 0.04 0.04 0.00 0.02 0.00 0.00 57.03 56.82 1th0 h ASP 413 Cb 1.29 -0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.79 1th0 h ASP 413 CO 0.43 0.19 -0.21 -0.33 -1.72 0.00 0.00 179.24 177.60 1th0 h GLU 414 N 0.41 -0.27 -0.34 3.56 4.39 -1.97 0.97 114.58 121.32 1th0 h GLU 414 Ca 0.21 0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.98 1th0 h GLU 414 Cb 0.16 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.83 1th0 h GLU 414 CO -0.18 -0.18 0.08 0.28 -1.16 0.00 0.00 179.01 177.85 1th0 h VAL 415 N -0.28 0.85 -0.09 3.13 2.07 -1.85 0.50 116.25 120.58 1th0 h VAL 415 Ca 0.09 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 1th0 h VAL 415 Cb 0.41 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1th0 h VAL 415 CO -0.25 0.04 0.02 0.40 0.02 0.00 0.00 177.57 177.80 1th0 h ILE 416 N 0.20 1.19 -0.67 4.57 2.04 -1.18 -0.78 117.51 122.88 1th0 h ILE 416 Ca 0.16 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.47 1th0 h ILE 416 Cb 0.17 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 1th0 h ILE 416 CO -0.20 0.16 0.43 0.78 0.00 0.00 0.00 178.15 179.32 1th0 h ASN 417 N -0.06 0.72 -0.11 1.72 2.35 -0.68 0.36 115.58 119.88 1th0 h ASN 417 Ca 0.03 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.78 1th0 h ASN 417 Cb 0.24 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1th0 h ASN 417 CO -0.00 0.51 0.02 0.15 -1.65 0.00 0.00 177.43 176.46 1th0 h PHE 418 N 0.85 0.03 -0.79 1.19 3.57 -0.73 -1.23 116.94 119.84 1th0 h PHE 418 Ca 0.26 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 1th0 h PHE 418 Cb -0.03 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 1th0 h PHE 418 CO -0.04 0.01 0.33 -0.92 -2.23 0.00 0.00 178.31 175.46 1th0 h TYR 419 N 0.06 1.18 -0.58 0.41 3.20 -0.82 -2.11 116.97 118.31 1th0 h TYR 419 Ca 0.05 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 61.84 1th0 h TYR 419 Cb 0.04 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 37.92 1th0 h TYR 419 CO -0.12 0.89 0.39 0.52 -1.64 0.00 0.00 178.16 178.19 1th0 h MET 420 N 1.14 0.76 -0.14 1.82 2.86 -0.50 -1.88 114.93 119.00 1th0 h MET 420 Ca 0.27 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.81 1th0 h MET 420 Cb 0.19 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1th0 h MET 420 CO -0.02 0.51 -0.12 -0.91 1.06 0.00 0.00 176.91 177.42 1th0 h ASN 421 N 0.79 0.21 0.49 1.22 2.35 -0.91 -2.06 115.58 117.66 1th0 h ASN 421 Ca 0.21 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.84 1th0 h ASN 421 Cb -0.09 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1th0 h ASN 421 CO -0.05 0.36 -0.40 -0.07 -1.65 0.00 0.00 177.43 175.62 1th0 h LEU 422 N 0.21 0.00 -0.71 1.61 3.38 -0.69 -2.63 115.31 116.48 1th0 h LEU 422 Ca 0.04 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1th0 h LEU 422 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1th0 h LEU 422 CO 0.02 0.40 -0.38 -0.07 0.09 0.00 0.00 178.44 178.50 1th0 h LEU 423 N 0.00 0.58 -0.21 1.67 3.38 -0.77 -1.08 115.31 118.88 1th0 h LEU 423 Ca -0.00 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1th0 h LEU 423 Cb 0.75 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1th0 h LEU 423 CO 0.05 0.90 0.12 0.58 0.09 0.00 0.00 178.44 180.19 1th0 h VAL 424 N 0.46 1.10 -0.36 1.22 2.07 -1.32 -0.79 116.25 118.63 1th0 h VAL 424 Ca 0.04 -0.28 -0.09 0.00 0.82 0.00 0.00 66.70 67.20 1th0 h VAL 424 Cb 0.87 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1th0 h VAL 424 CO 0.07 0.10 -0.13 -0.33 0.02 0.00 0.00 177.57 177.30 1th0 h GLU 425 N 0.24 0.72 -0.74 1.57 4.39 -1.42 -2.41 114.58 116.94 1th0 h GLU 425 Ca 0.08 -0.30 0.05 0.00 0.34 0.00 0.00 59.36 59.53 1th0 h GLU 425 Cb 0.06 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.62 1th0 h GLU 425 CO -0.01 0.90 0.44 -0.09 -1.16 0.00 0.00 179.01 179.08 1th0 h ARG 426 N 0.51 0.80 -0.38 2.33 1.12 -1.08 -1.61 114.38 116.06 1th0 h ARG 426 Ca 0.08 -0.05 -0.02 0.00 -1.11 0.00 0.00 59.98 58.89 1th0 h ARG 426 Cb 0.66 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 30.42 1th0 h ARG 426 CO 0.04 0.53 0.17 -0.91 -3.11 0.00 0.00 179.97 176.70 1th0 h ASN 427 N 0.82 0.50 0.55 -3.80 -0.26 -0.97 -1.32 115.58 111.11 1th0 h ASN 427 Ca 0.32 -0.14 -0.02 0.00 -0.56 0.00 0.00 56.30 55.90 1th0 h ASN 427 Cb 0.13 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.26 1th0 h ASN 427 CO -0.16 0.50 -0.35 0.11 -1.06 0.00 0.00 177.43 176.48 1th0 h LYS 428 N 0.47 -0.82 -0.08 0.81 1.57 -0.94 0.24 116.57 117.82 1th0 h LYS 428 Ca 0.13 0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1th0 h LYS 428 Cb 0.14 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1th0 h LYS 428 CO -0.01 -0.55 0.02 0.87 -0.57 0.00 0.00 179.45 179.20 1th0 h LYS 429 N -0.85 0.11 -0.47 3.15 1.57 -1.30 -2.84 116.57 115.94 1th0 h LYS 429 Ca -0.07 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1th0 h LYS 429 Cb 0.70 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1th0 h LYS 429 CO 0.06 0.11 0.00 1.04 -0.57 0.00 0.00 179.45 180.09 1th0 n GLN 430 N -4.48 2.42 -2.62 3.15 1.13 -0.50 -4.96 117.38 111.52 1th0 n GLN 430 Ca -0.02 -2.17 -0.10 0.00 -1.94 0.00 0.00 57.00 52.77 1th0 n GLN 430 Cb 0.12 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 28.99 1th0 n GLN 430 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1th0 n GLY 431 N 1.48 0.16 4.00 1.08 0.00 -0.79 -5.03 105.19 106.08 1th0 n GLY 431 Ca 0.20 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.83 2.97 0.34 1.61 1.51 0.77 -5.04 117.35 116.68 1th0 s TYR 432 Ca 0.14 -0.27 -0.26 0.00 -1.01 0.00 0.00 57.07 55.68 1th0 s TYR 432 Cb -0.06 -2.22 -0.13 0.00 -0.11 0.00 0.00 41.96 39.43 1th0 s TYR 432 CO 0.18 -0.26 0.80 -2.30 -1.11 0.00 0.00 175.55 172.86 1th0 n PRO 433 N -1.79 0.93 -1.68 -1.71 -0.02 -1.26 -4.59 135.00 124.88 1th0 n PRO 433 Ca 0.04 0.33 -0.42 0.00 -2.02 0.00 0.00 63.50 61.43 1th0 n PRO 433 Cb 0.59 -1.66 -0.03 0.00 -0.02 0.00 0.00 33.50 32.38 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 -0.26 2.04 -2.82 3.55 0.00 -1.26 -4.80 120.51 116.96 1th0 n ALA 434 Ca 0.11 0.29 -0.33 0.00 0.00 0.00 0.00 53.44 53.52 1th0 n ALA 434 Cb 0.34 -2.61 -0.14 0.00 0.00 0.00 0.00 19.45 17.04 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 3.10 2.58 -0.09 0.00 2.96 -1.26 -1.27 118.68 124.70 1th0 s LEU 435 Ca 0.84 -0.33 0.04 0.00 -0.22 0.00 0.00 54.13 54.45 1th0 s LEU 435 Cb -0.48 -1.54 0.00 0.00 0.50 0.00 0.00 46.19 44.68 1th0 s LEU 435 CO 0.39 0.24 -0.21 -2.28 -1.32 0.00 0.00 176.35 173.17 1th0 s HIS 436 N -0.10 2.24 -0.15 5.38 5.65 0.34 -4.87 115.29 123.78 1th0 s HIS 436 Ca -0.03 -0.89 0.01 0.00 0.25 0.00 0.00 55.06 54.41 1th0 s HIS 436 Cb -0.14 -1.52 0.01 0.00 -1.18 0.00 0.00 32.58 29.75 1th0 s HIS 436 CO 0.04 -0.37 -0.19 0.08 -0.65 0.00 0.00 174.74 173.64 1th0 s VAL 437 N 0.41 2.24 0.34 0.89 1.01 -1.26 -0.68 120.40 123.36 1th0 s VAL 437 Ca -0.17 -0.91 -0.18 0.00 0.00 0.00 0.00 61.98 60.72 1th0 s VAL 437 Cb -0.17 -1.92 -0.09 0.00 0.00 0.00 0.00 36.38 34.19 1th0 s VAL 437 CO 0.07 0.54 0.80 -0.36 0.00 0.00 0.00 175.10 176.15 1th0 s PHE 438 N 0.93 3.40 0.74 5.22 0.40 -0.42 -4.97 117.98 123.28 1th0 s PHE 438 Ca -0.04 1.37 -0.15 0.00 -0.60 0.00 0.00 56.93 57.51 1th0 s PHE 438 Cb -0.15 -2.65 0.04 0.00 0.51 0.00 0.00 43.02 40.78 1th0 s PHE 438 CO -0.04 0.07 1.23 0.45 0.70 0.00 0.00 175.22 177.63 1th0 s SER 439 N -2.14 4.05 0.53 1.36 0.15 -1.26 -4.44 113.70 111.95 1th0 s SER 439 Ca 0.55 2.43 0.35 0.00 0.70 0.00 0.00 55.95 59.97 1th0 s SER 439 Cb -0.11 -2.60 1.71 0.00 -1.71 0.00 0.00 66.02 63.32 1th0 s SER 439 CO 0.17 -2.37 2.06 0.71 1.20 0.00 0.00 173.24 175.01 1th0 h THR 440 N -0.34 0.00 0.00 6.45 1.35 -1.92 -2.14 112.91 116.31 1th0 h THR 440 Ca -0.48 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 1th0 h THR 440 Cb 1.31 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1th0 h THR 440 CO 0.49 0.00 -0.56 0.49 -0.25 0.00 0.00 175.52 175.69 1th0 n PHE 441 N -2.86 0.42 0.41 4.73 3.01 -1.26 -4.44 117.46 117.47 1th0 n PHE 441 Ca -0.01 0.12 -0.18 0.00 1.01 0.00 0.00 57.45 58.39 1th0 n PHE 441 Cb 0.17 -0.57 -0.09 0.00 -0.01 0.00 0.00 39.48 38.97 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 0.00 -1.22 -0.47 1.38 3.57 -1.74 -2.97 116.94 115.49 1th0 h PHE 442 Ca 0.00 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.58 1th0 h PHE 442 Cb 0.68 0.43 -0.08 0.00 2.79 0.00 0.00 35.95 39.78 1th0 h PHE 442 CO 0.00 -0.69 -0.05 -0.92 -2.23 0.00 0.00 178.31 174.42 1th0 h TYR 443 N -1.13 -0.13 -0.84 0.41 3.20 -1.78 -0.63 116.97 116.08 1th0 h TYR 443 Ca -0.10 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1th0 h TYR 443 Cb 0.90 0.13 -0.04 0.00 1.54 0.00 0.00 36.73 39.26 1th0 h TYR 443 CO -0.09 -0.15 0.54 -1.35 -1.64 0.00 0.00 178.16 175.47 1th0 h PRO 444 N 0.06 1.12 -0.59 1.82 0.11 -1.82 -0.07 132.00 132.63 1th0 h PRO 444 Ca 0.23 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.23 1th0 h PRO 444 Cb 0.35 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 1th0 h PRO 444 CO -0.43 0.76 0.23 -0.22 -0.21 0.00 0.00 178.00 178.13 1th0 h LYS 445 N 1.14 0.88 -0.24 1.05 1.63 -1.12 -2.38 116.57 117.53 1th0 h LYS 445 Ca 0.31 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 1th0 h LYS 445 Cb -0.10 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.38 1th0 h LYS 445 CO -0.06 0.75 0.10 1.25 -3.45 0.00 0.00 179.45 178.04 1th0 h LEU 446 N 0.81 0.33 -1.44 5.20 5.85 -0.54 0.98 115.31 126.51 1th0 h LEU 446 Ca 0.20 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1th0 h LEU 446 Cb 0.20 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1th0 h LEU 446 CO -0.02 0.41 0.25 0.50 -0.34 0.00 0.00 178.44 179.25 1th0 h LYS 447 N 0.24 0.63 0.00 1.25 3.64 -0.88 0.74 116.57 122.19 1th0 h LYS 447 Ca 0.08 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.23 1th0 h LYS 447 Cb 0.18 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 1th0 h LYS 447 CO -0.01 0.47 -2.04 -1.13 -2.27 0.00 0.00 179.45 174.47 1th0 n SER 448 N -4.42 0.14 -0.13 4.20 3.41 -0.91 -4.59 113.62 111.33 1th0 n SER 448 Ca 0.04 0.06 0.04 0.00 -0.26 0.00 0.00 58.87 58.75 1th0 n SER 448 Cb 0.10 1.31 -0.01 0.00 -0.26 0.00 0.00 64.21 65.34 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 1.47 -0.05 2.22 5.00 0.00 0.33 -5.10 105.19 109.06 1th0 n GLY 449 Ca -0.16 -0.22 0.01 0.00 0.00 0.00 0.00 46.02 45.65 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 0.91 -2.18 0.22 -0.02 0.00 0.25 -3.78 105.19 100.58 1th0 n GLY 450 Ca 0.03 -1.48 -0.03 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.06 0.51 -0.89 1.61 3.20 -1.93 -2.60 116.97 116.82 1th0 h TYR 451 Ca 0.00 0.02 0.19 0.00 3.14 0.00 0.00 58.73 62.08 1th0 h TYR 451 Cb 0.06 -0.15 -0.07 0.00 1.54 0.00 0.00 36.73 38.11 1th0 h TYR 451 CO 0.00 0.24 0.58 1.96 -1.64 0.00 0.00 178.16 179.31 1th0 h GLN 452 N 0.54 0.43 0.00 1.82 1.08 -1.97 0.16 115.11 117.16 1th0 h GLN 452 Ca 0.25 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 1th0 h GLN 452 Cb 0.17 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1th0 h GLN 452 CO -0.18 0.28 0.00 0.00 -0.95 0.00 0.00 178.83 177.99 1th0 h ALA 453 N 1.61 1.00 0.00 3.87 0.00 -1.55 -3.22 119.26 120.97 1th0 h ALA 453 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1th0 h ALA 453 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1th0 h ALA 453 CO -0.18 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.40 1th0 n VAL 454 N -2.97 0.19 -0.41 0.00 0.24 0.05 -4.79 118.33 110.64 1th0 n VAL 454 Ca 0.01 -0.50 0.33 0.00 -2.04 0.00 0.00 64.34 62.14 1th0 n VAL 454 Cb 0.28 1.05 0.61 0.00 -1.47 0.00 0.00 33.84 34.31 1th0 n VAL 454 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1th0 h LYS 455 N 0.00 0.14 -0.01 7.34 3.64 -0.80 0.11 116.57 126.99 1th0 h LYS 455 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1th0 h LYS 455 Cb 0.21 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1th0 h LYS 455 CO 0.00 0.09 -0.19 0.54 -2.27 0.00 0.00 179.45 177.62 1th0 n ARG 456 N -4.77 0.89 0.00 1.90 1.74 -1.26 -4.11 116.66 111.05 1th0 n ARG 456 Ca 0.35 -0.48 0.09 0.00 -0.77 0.00 0.00 57.85 57.04 1th0 n ARG 456 Cb 1.30 -1.49 0.46 0.00 -1.02 0.00 0.00 32.46 31.70 1th0 n ARG 456 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1th0 n TRP 457 N -0.64 0.00 -1.28 -1.55 7.02 0.37 -2.17 117.44 119.19 1th0 n TRP 457 Ca 0.14 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.70 1th0 n TRP 457 Cb 0.33 -0.24 0.16 0.00 -2.42 0.00 0.00 31.31 29.14 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 -1.24 1.95 -1.69 -0.99 -2.24 -1.26 -5.03 114.28 103.79 1th0 n THR 458 Ca 0.09 -2.56 -0.44 0.00 -2.27 0.00 0.00 64.05 58.87 1th0 n THR 458 Cb 0.13 -0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.11 1th0 n THR 458 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1th0 n LYS 459 N -1.29 2.32 -0.97 -0.78 2.85 -0.92 -1.55 118.16 117.82 1th0 n LYS 459 Ca 0.17 0.83 0.00 0.00 -1.05 0.00 0.00 58.31 58.26 1th0 n LYS 459 Cb 0.66 -2.58 0.00 0.00 -0.65 0.00 0.00 35.03 32.46 1th0 n LYS 459 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1th0 n GLY 460 N 2.86 0.64 2.96 2.58 0.00 -1.26 -5.02 105.19 107.95 1th0 n GLY 460 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 1th0 n GLY 460 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1th0 s VAL 461 N -2.53 0.05 -0.39 1.61 0.11 -0.59 -5.10 120.40 113.56 1th0 s VAL 461 Ca 0.00 -0.44 -0.05 0.00 -2.93 0.00 0.00 61.98 58.57 1th0 s VAL 461 Cb 0.00 -0.18 0.09 0.00 -1.53 0.00 0.00 36.38 34.76 1th0 s VAL 461 CO 0.00 -0.24 0.18 0.21 -3.33 0.00 0.00 175.10 171.92 1th0 s ASN 462 N -0.72 5.30 0.37 3.54 3.04 -1.26 -4.93 114.94 120.27 1th0 s ASN 462 Ca -0.08 -1.69 0.16 0.00 0.04 0.00 0.00 52.86 51.29 1th0 s ASN 462 Cb -0.05 -1.85 1.06 0.00 -1.54 0.00 0.00 41.25 38.87 1th0 s ASN 462 CO -0.00 -0.48 1.73 -0.07 -3.04 0.00 0.00 177.10 175.24 1th0 h LEU 463 N 8.15 0.51 0.00 3.21 3.38 -1.98 -1.14 115.31 127.45 1th0 h LEU 463 Ca -0.18 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1th0 h LEU 463 Cb 1.06 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.86 1th0 h LEU 463 CO 0.68 0.03 0.00 0.49 0.09 0.00 0.00 178.44 179.73 1th0 n PHE 464 N -4.78 0.00 1.13 1.13 3.01 -1.26 -1.85 117.46 114.84 1th0 n PHE 464 Ca 0.28 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.86 1th0 n PHE 464 Cb 0.91 -0.24 0.19 0.00 -0.01 0.00 0.00 39.48 40.33 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 -1.24 1.04 -2.43 -1.08 1.02 -0.43 -4.90 120.64 112.62 1th0 n GLU 465 Ca 0.10 -0.76 -0.25 0.00 -0.02 0.00 0.00 57.16 56.24 1th0 n GLU 465 Cb 0.14 -1.48 0.10 0.00 -0.02 0.00 0.00 31.44 30.18 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 -2.48 1.74 -0.08 3.49 -1.52 -0.77 -4.99 119.66 115.05 1th0 s GLN 466 Ca 0.22 -0.81 0.04 0.00 -1.95 0.00 0.00 55.36 52.86 1th0 s GLN 466 Cb 0.19 -2.25 -0.08 0.00 -0.22 0.00 0.00 33.01 30.65 1th0 s GLN 466 CO 0.54 -1.45 -0.02 0.39 -0.25 0.00 0.00 175.29 174.50 1th0 n GLU 467 N -2.92 1.69 -4.08 2.91 1.02 -0.40 -4.80 120.64 114.06 1th0 n GLU 467 Ca 0.13 0.02 -0.20 0.00 -0.02 0.00 0.00 57.16 57.09 1th0 n GLU 467 Cb 0.60 -1.18 -0.17 0.00 -0.02 0.00 0.00 31.44 30.67 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 -2.18 0.50 -0.14 -3.67 1.01 -0.47 -1.35 121.20 114.90 1th0 s ILE 468 Ca -0.07 -0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.51 1th0 s ILE 468 Cb 0.03 -0.55 -0.00 0.00 0.01 0.00 0.00 42.46 41.94 1th0 s ILE 468 CO 0.26 0.23 -0.16 -0.63 0.00 0.00 0.00 174.94 174.63 1th0 s ILE 469 N 1.09 2.65 -0.13 2.92 1.01 0.19 -0.50 121.20 128.43 1th0 s ILE 469 Ca -0.08 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 59.75 1th0 s ILE 469 Cb -0.14 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 1th0 s ILE 469 CO -0.01 0.52 -0.02 -0.76 0.00 0.00 0.00 174.94 174.67 1th0 s LEU 470 N 0.66 3.37 -0.29 2.97 1.43 0.15 -0.34 118.68 126.63 1th0 s LEU 470 Ca -0.08 -0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1th0 s LEU 470 Cb -0.16 -1.79 0.09 0.00 0.03 0.00 0.00 46.19 44.36 1th0 s LEU 470 CO 0.02 0.25 0.03 -0.69 0.23 0.00 0.00 176.35 176.19 1th0 s VAL 471 N -0.11 1.53 0.31 -1.59 1.01 -0.25 -1.31 120.40 120.01 1th0 s VAL 471 Ca 0.03 -1.64 -0.29 0.00 0.00 0.00 0.00 61.98 60.08 1th0 s VAL 471 Cb -0.13 -2.03 -0.10 0.00 0.00 0.00 0.00 36.38 34.12 1th0 s VAL 471 CO 0.02 -0.47 1.34 -2.84 0.00 0.00 0.00 175.10 173.15 1th0 s PRO 472 N 1.32 4.33 -0.27 2.72 0.02 -1.26 -1.98 135.00 139.88 1th0 s PRO 472 Ca 0.05 2.24 -0.03 0.00 0.02 0.00 0.00 61.00 63.28 1th0 s PRO 472 Cb -0.18 -3.08 0.03 0.00 0.02 0.00 0.00 34.50 31.28 1th0 s PRO 472 CO -0.13 -0.25 -0.01 0.42 -0.33 0.00 0.00 177.00 176.70 1th0 s ILE 473 N -0.87 3.21 -0.28 2.83 -1.09 0.57 -4.67 121.20 120.91 1th0 s ILE 473 Ca 0.51 -1.01 -0.06 0.00 -2.23 0.00 0.00 60.65 57.86 1th0 s ILE 473 Cb -0.40 -2.69 0.01 0.00 -1.58 0.00 0.00 42.46 37.80 1th0 s ILE 473 CO 0.51 0.09 0.05 -2.28 -1.23 0.00 0.00 174.94 172.08 1th0 s HIS 474 N 1.36 3.11 -0.19 3.97 2.46 -1.26 -1.03 115.29 123.71 1th0 s HIS 474 Ca -0.00 -1.00 -0.01 0.00 0.47 0.00 0.00 55.06 54.52 1th0 s HIS 474 Cb -0.17 -2.21 0.05 0.00 -0.13 0.00 0.00 32.58 30.12 1th0 s HIS 474 CO -0.02 -0.57 -0.01 0.50 -2.47 0.00 0.00 174.74 172.17 1th0 s ARG 475 N 1.49 1.10 7.97 2.88 3.52 -0.52 -4.84 118.95 130.55 1th0 s ARG 475 Ca 0.03 -0.55 0.00 0.00 -0.13 0.00 0.00 55.73 55.08 1th0 s ARG 475 Cb -0.17 -2.13 0.00 0.00 -1.56 0.00 0.00 34.95 31.10 1th0 s ARG 475 CO 0.01 -0.55 0.00 1.63 -0.81 0.00 0.00 175.30 175.58 1th0 n LYS 476 N 4.92 0.00 -0.15 5.12 5.02 -1.26 -1.18 118.16 130.63 1th0 n LYS 476 Ca -0.10 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.30 1th0 n LYS 476 Cb 0.47 0.00 0.26 0.00 -0.02 0.00 0.00 35.03 35.74 1th0 n LYS 476 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1th0 n VAL 477 N 0.00 0.38 -3.83 -0.18 0.24 -1.26 -4.95 118.33 108.73 1th0 n VAL 477 Ca 0.00 -0.60 -0.35 0.00 -2.04 0.00 0.00 64.34 61.35 1th0 n VAL 477 Cb 0.00 0.79 -0.05 0.00 -1.47 0.00 0.00 33.84 33.10 1th0 n VAL 477 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1th0 s HIS 478 N -1.62 3.59 -0.08 6.34 5.04 -0.32 -5.00 115.29 123.24 1th0 s HIS 478 Ca 0.36 0.52 0.02 0.00 -1.54 0.00 0.00 55.06 54.42 1th0 s HIS 478 Cb 0.21 -1.94 -0.02 0.00 0.04 0.00 0.00 32.58 30.86 1th0 s HIS 478 CO 0.30 0.67 -0.14 -1.58 -2.34 0.00 0.00 174.74 171.65 1th0 s TRP 479 N -1.19 2.75 0.34 3.88 0.52 -1.26 -1.43 118.94 122.54 1th0 s TRP 479 Ca 0.23 -0.32 0.01 0.00 0.02 0.00 0.00 56.10 56.03 1th0 s TRP 479 Cb -0.13 -1.71 -0.01 0.00 -1.15 0.00 0.00 33.47 30.47 1th0 s TRP 479 CO 0.12 0.05 0.40 -1.54 0.02 0.00 0.00 176.95 176.01 1th0 s SER 480 N -0.35 1.16 -0.01 2.95 1.04 -0.20 -4.68 113.70 113.61 1th0 s SER 480 Ca 0.04 -1.58 0.01 0.00 0.48 0.00 0.00 55.95 54.90 1th0 s SER 480 Cb -0.12 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1th0 s SER 480 CO 0.02 -1.21 -0.03 -0.22 0.98 0.00 0.00 173.24 172.78 1th0 s LEU 481 N -3.28 1.89 -0.14 2.42 2.96 0.63 -0.31 118.68 122.84 1th0 s LEU 481 Ca 0.34 -0.05 -0.00 0.00 -0.22 0.00 0.00 54.13 54.20 1th0 s LEU 481 Cb 0.01 -0.16 -0.01 0.00 0.50 0.00 0.00 46.19 46.52 1th0 s LEU 481 CO 0.23 0.02 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.45 1th0 s VAL 482 N 0.09 2.94 -0.17 1.68 1.01 -0.84 0.63 120.40 125.74 1th0 s VAL 482 Ca -0.01 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 1th0 s VAL 482 Cb -0.03 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 1th0 s VAL 482 CO -0.00 0.52 -0.05 -0.69 0.00 0.00 0.00 175.10 174.87 1th0 s VAL 483 N 0.50 3.62 -0.31 2.92 1.01 0.11 -1.09 120.40 127.16 1th0 s VAL 483 Ca -0.09 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 1th0 s VAL 483 Cb -0.16 -2.60 0.04 0.00 0.00 0.00 0.00 36.38 33.67 1th0 s VAL 483 CO 0.04 0.47 0.05 -0.63 0.00 0.00 0.00 175.10 175.03 1th0 s ILE 484 N 0.70 3.39 -0.51 2.22 1.01 0.54 -0.18 121.20 128.38 1th0 s ILE 484 Ca -0.03 -1.20 -0.16 0.00 0.00 0.00 0.00 60.65 59.27 1th0 s ILE 484 Cb -0.15 -2.91 0.11 0.00 0.01 0.00 0.00 42.46 39.52 1th0 s ILE 484 CO 0.02 -0.10 0.45 -0.62 0.00 0.00 0.00 174.94 174.69 1th0 s ASP 485 N 1.34 6.17 0.49 3.58 -1.08 0.05 -0.64 116.67 126.58 1th0 s ASP 485 Ca -0.03 -1.59 0.27 0.00 -0.52 0.00 0.00 52.55 50.68 1th0 s ASP 485 Cb -0.19 -2.20 1.22 0.00 -1.46 0.00 0.00 42.92 40.29 1th0 s ASP 485 CO 0.01 -0.77 1.96 -0.07 0.52 0.00 0.00 175.17 176.82 1th0 h LEU 486 N 8.83 0.00 -1.20 -1.34 4.07 -1.49 0.75 115.31 124.92 1th0 h LEU 486 Ca -0.29 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.58 1th0 h LEU 486 Cb 1.10 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.83 1th0 h LEU 486 CO 0.97 0.16 -0.38 0.03 -1.08 0.00 0.00 178.44 178.14 1th0 h ARG 487 N 0.00 0.04 -0.01 1.13 3.08 -1.89 -3.21 114.38 113.52 1th0 h ARG 487 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1th0 h ARG 487 Cb 0.53 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1th0 h ARG 487 CO 0.02 0.41 -0.19 1.63 -1.07 0.00 0.00 179.97 180.77 1th0 n LYS 488 N -4.08 2.29 -3.50 0.04 5.02 -1.02 -5.01 118.16 111.89 1th0 n LYS 488 Ca -0.02 -0.53 -0.20 0.00 -2.02 0.00 0.00 58.31 55.54 1th0 n LYS 488 Cb 0.42 -1.03 0.06 0.00 -0.02 0.00 0.00 35.03 34.45 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 -0.33 -3.68 -4.02 1.97 5.02 0.22 -4.82 118.16 112.51 1th0 n LYS 489 Ca 0.03 0.71 -0.12 0.00 -2.02 0.00 0.00 58.31 56.91 1th0 n LYS 489 Cb 0.18 -5.32 -0.13 0.00 -0.02 0.00 0.00 35.03 29.74 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 -0.85 2.01 -0.09 0.00 1.02 -0.47 -0.77 118.68 119.53 1th0 s LEU 491 Ca -0.07 -0.57 0.02 0.00 0.02 0.00 0.00 54.13 53.53 1th0 s LEU 491 Cb -0.06 -1.37 -0.02 0.00 0.02 0.00 0.00 46.19 44.76 1th0 s LEU 491 CO -0.00 0.05 -0.14 -0.54 0.02 0.00 0.00 176.35 175.74 1th0 s LYS 492 N 0.96 2.90 -0.25 1.70 1.02 0.75 -0.75 119.74 126.06 1th0 s LYS 492 Ca -0.04 -0.69 -0.08 0.00 0.02 0.00 0.00 55.97 55.18 1th0 s LYS 492 Cb -0.15 -2.49 -0.03 0.00 -0.52 0.00 0.00 37.83 34.64 1th0 s LYS 492 CO -0.04 0.44 0.08 -0.47 -0.92 0.00 0.00 175.35 174.44 1th0 s TYR 493 N -0.24 3.10 -0.20 3.18 5.04 -0.43 0.05 117.35 127.84 1th0 s TYR 493 Ca 0.01 -0.38 -0.03 0.00 -2.44 0.00 0.00 57.07 54.23 1th0 s TYR 493 Cb -0.13 -2.25 -0.01 0.00 0.35 0.00 0.00 41.96 39.92 1th0 s TYR 493 CO 0.03 -0.34 -0.07 -0.51 -1.34 0.00 0.00 175.55 173.32 1th0 s LEU 494 N 1.63 2.82 -0.05 6.97 1.02 0.20 -2.28 118.68 129.00 1th0 s LEU 494 Ca 0.06 -0.39 -0.00 0.00 0.02 0.00 0.00 54.13 53.83 1th0 s LEU 494 Cb -0.15 -1.70 0.03 0.00 0.02 0.00 0.00 46.19 44.39 1th0 s LEU 494 CO 0.04 0.03 -0.01 -0.62 0.02 0.00 0.00 176.35 175.80 1th0 s ASP 495 N 1.20 1.13 0.00 2.29 -1.08 -1.26 -0.27 116.67 118.67 1th0 s ASP 495 Ca 0.02 -0.08 0.20 0.00 -0.52 0.00 0.00 52.55 52.17 1th0 s ASP 495 Cb -0.14 -0.39 1.00 0.00 -1.46 0.00 0.00 42.92 41.92 1th0 s ASP 495 CO -0.02 -0.13 1.63 -1.54 0.52 0.00 0.00 175.17 175.63 1th0 n SER 496 N 4.57 0.00 -1.22 -0.34 3.41 -1.26 -2.49 113.62 116.29 1th0 n SER 496 Ca -0.17 0.03 0.03 0.00 -0.26 0.00 0.00 58.87 58.50 1th0 n SER 496 Cb 0.50 -0.30 0.26 0.00 -0.26 0.00 0.00 64.21 64.42 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 -1.30 2.93 -1.18 4.33 2.81 -1.26 -1.35 117.12 122.10 1th0 n MET 497 Ca 0.09 -2.98 -0.06 0.00 -1.81 0.00 0.00 57.70 52.94 1th0 n MET 497 Cb 0.16 -1.94 -0.03 0.00 -0.71 0.00 0.00 33.22 30.71 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 -0.53 0.68 3.80 3.03 0.00 -1.04 -4.99 105.19 106.14 1th0 n GLY 498 Ca 0.28 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 1th0 n GLY 498 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1th0 s GLN 499 N -2.32 3.42 0.03 1.61 2.00 -1.26 -4.76 119.66 118.37 1th0 s GLN 499 Ca 0.00 1.24 -0.03 0.00 -2.00 0.00 0.00 55.36 54.57 1th0 s GLN 499 Cb 0.00 -2.05 -0.04 0.00 0.80 0.00 0.00 33.01 31.72 1th0 s GLN 499 CO 0.00 -0.73 0.23 0.15 -0.50 0.00 0.00 175.29 174.44 1th0 s LYS 500 N -3.89 3.50 -0.41 1.67 1.02 -1.26 -4.62 119.74 115.74 1th0 s LYS 500 Ca 0.64 -0.26 0.09 0.00 0.02 0.00 0.00 55.97 56.47 1th0 s LYS 500 Cb -0.16 -3.05 0.42 0.00 -0.52 0.00 0.00 37.83 34.52 1th0 s LYS 500 CO 0.33 0.63 1.03 0.41 -0.92 0.00 0.00 175.35 176.83 1th0 n GLY 501 N 0.76 4.47 0.19 -3.33 0.00 -1.26 -4.89 105.19 101.13 1th0 n GLY 501 Ca -0.09 -2.26 -0.15 0.00 0.00 0.00 0.00 46.02 43.52 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 2.77 -0.37 -0.72 1.61 3.86 -1.98 -1.68 115.15 118.65 1th0 h HIS 502 Ca 0.15 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.38 1th0 h HIS 502 Cb 0.96 0.12 -0.04 0.00 1.06 0.00 0.00 27.41 29.51 1th0 h HIS 502 CO 0.71 -0.21 0.46 -0.09 0.86 0.00 0.00 177.93 179.66 1th0 h ARG 503 N -0.42 0.88 -0.30 2.45 9.65 -1.99 -0.65 114.38 124.01 1th0 h ARG 503 Ca -0.04 -0.05 0.01 0.00 -1.10 0.00 0.00 59.98 58.79 1th0 h ARG 503 Cb 0.32 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.69 1th0 h ARG 503 CO 0.07 0.58 0.19 0.82 2.80 0.00 0.00 179.97 184.43 1th0 h ILE 504 N 0.91 1.06 -0.61 1.20 2.04 -1.91 0.55 117.51 120.75 1th0 h ILE 504 Ca 0.28 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.97 1th0 h ILE 504 Cb -0.03 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1th0 h ILE 504 CO -0.09 0.07 0.21 0.00 0.00 0.00 0.00 178.15 178.34 1th0 h GLU 506 N 0.89 0.49 -0.65 0.00 4.81 -0.65 0.16 114.58 119.63 1th0 h GLU 506 Ca 0.20 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.28 1th0 h GLU 506 Cb 0.22 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 1th0 h GLU 506 CO -0.01 0.46 0.11 0.82 -0.73 0.00 0.00 179.01 179.66 1th0 h ILE 507 N 0.41 1.26 -0.04 2.32 2.04 -0.39 -2.24 117.51 120.87 1th0 h ILE 507 Ca 0.12 -1.00 -0.14 0.00 1.00 0.00 0.00 64.86 64.84 1th0 h ILE 507 Cb 0.14 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1th0 h ILE 507 CO -0.01 0.38 -0.60 -0.07 0.00 0.00 0.00 178.15 177.85 1th0 h LEU 508 N 0.99 0.15 -0.57 1.44 3.38 -0.79 -2.00 115.31 117.90 1th0 h LEU 508 Ca 0.20 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 1th0 h LEU 508 Cb 0.41 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1th0 h LEU 508 CO 0.01 0.71 -0.23 0.25 0.09 0.00 0.00 178.44 179.27 1th0 h LEU 509 N 0.10 0.92 -1.07 1.67 5.85 -0.46 -1.28 115.31 121.04 1th0 h LEU 509 Ca -0.01 -0.35 -0.07 0.00 0.84 0.00 0.00 57.88 58.29 1th0 h LEU 509 Cb 1.08 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1th0 h LEU 509 CO 0.09 1.11 -0.14 -0.61 -0.34 0.00 0.00 178.44 178.54 1th0 h GLN 510 N 0.78 0.49 -0.51 1.25 5.75 -1.28 -2.05 115.11 119.53 1th0 h GLN 510 Ca 0.10 -0.15 -0.03 0.00 -0.15 0.00 0.00 58.65 58.42 1th0 h GLN 510 Cb 0.78 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.26 1th0 h GLN 510 CO 0.06 0.63 0.20 -0.92 -2.65 0.00 0.00 178.83 176.15 1th0 h TYR 511 N 0.45 0.79 -0.86 3.99 3.20 -0.83 -1.59 116.97 122.13 1th0 h TYR 511 Ca 0.08 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.92 1th0 h TYR 511 Cb 0.52 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.50 1th0 h TYR 511 CO 0.02 0.66 0.55 -0.07 -1.64 0.00 0.00 178.16 177.68 1th0 h LEU 512 N 0.69 0.92 -0.67 2.82 3.38 -0.78 0.64 115.31 122.31 1th0 h LEU 512 Ca 0.17 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1th0 h LEU 512 Cb 0.21 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1th0 h LEU 512 CO -0.01 0.64 0.26 -0.61 0.09 0.00 0.00 178.44 178.80 1th0 h GLN 513 N 1.08 1.01 -0.42 1.13 5.75 -1.05 0.60 115.11 123.21 1th0 h GLN 513 Ca 0.34 -0.19 -0.14 0.00 -0.15 0.00 0.00 58.65 58.51 1th0 h GLN 513 Cb -0.00 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.38 1th0 h GLN 513 CO -0.11 0.85 -0.28 -0.44 -2.65 0.00 0.00 178.83 176.20 1th0 h ASP 514 N 0.96 0.94 -0.32 -0.69 3.32 -0.65 -0.39 116.42 119.59 1th0 h ASP 514 Ca 0.22 -0.38 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 1th0 h ASP 514 Cb 0.23 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1th0 h ASP 514 CO -0.02 1.15 0.03 -0.08 -1.72 0.00 0.00 179.24 178.60 1th0 h GLU 515 N 0.77 0.54 -0.30 3.56 4.57 -0.64 -0.62 114.58 122.46 1th0 h GLU 515 Ca 0.09 -0.16 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 1th0 h GLU 515 Cb 0.85 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 1th0 h GLU 515 CO 0.07 0.65 0.10 1.03 -1.18 0.00 0.00 179.01 179.68 1th0 h SER 516 N 0.36 0.43 0.13 1.04 0.87 -0.77 0.24 113.55 115.85 1th0 h SER 516 Ca 0.09 -0.20 -0.09 0.00 -1.23 0.00 0.00 61.79 60.36 1th0 h SER 516 Cb 0.39 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1th0 h SER 516 CO 0.01 0.52 -0.31 0.50 -0.53 0.00 0.00 176.83 177.02 1th0 h LYS 517 N 0.33 0.27 0.01 2.24 1.63 -0.84 0.11 116.57 120.32 1th0 h LYS 517 Ca 0.10 -0.10 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1th0 h LYS 517 Cb 0.24 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1th0 h LYS 517 CO -0.00 0.56 -0.00 1.15 -3.45 0.00 0.00 179.45 177.70 1th0 h THR 518 N 0.24 1.60 0.00 1.00 2.02 -0.92 -2.87 112.91 113.97 1th0 h THR 518 Ca 0.03 -1.94 -0.13 0.00 0.77 0.00 0.00 66.41 65.15 1th0 h THR 518 Cb 0.67 2.89 -0.02 0.00 -1.74 0.00 0.00 68.15 69.94 1th0 h THR 518 CO 0.05 0.49 -1.14 0.11 0.37 0.00 0.00 175.52 175.41 1th0 h LYS 519 N -0.86 0.00 0.00 6.66 1.79 -0.54 -3.38 116.57 120.23 1th0 h LYS 519 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1th0 h LYS 519 Cb 0.81 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 1th0 h LYS 519 CO 0.00 0.29 0.00 0.54 -1.08 0.00 0.00 179.45 179.20 1th0 n ARG 520 N -2.94 1.15 -3.87 3.15 1.74 0.33 -5.00 116.66 111.22 1th0 n ARG 520 Ca -0.06 -0.36 -0.28 0.00 -0.77 0.00 0.00 57.85 56.38 1th0 n ARG 520 Cb 0.77 -0.86 0.02 0.00 -1.02 0.00 0.00 32.46 31.37 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 -0.27 -3.58 -3.82 0.55 5.15 -0.86 -4.97 115.26 107.46 1th0 n ASN 521 Ca 0.00 -0.81 -0.12 0.00 -0.60 0.00 0.00 54.58 53.05 1th0 n ASN 521 Cb 0.00 -3.85 -0.11 0.00 -0.53 0.00 0.00 39.78 35.29 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 -3.64 -0.15 0.40 1.20 1.04 -1.17 -4.97 113.70 106.41 1th0 s SER 522 Ca 0.46 0.24 -0.16 0.00 0.48 0.00 0.00 55.95 56.98 1th0 s SER 522 Cb -0.23 0.35 -0.09 0.00 0.10 0.00 0.00 66.02 66.15 1th0 s SER 522 CO 0.83 -0.16 0.83 -1.81 0.98 0.00 0.00 173.24 173.92 1th0 s ASP 523 N -0.31 6.74 0.49 7.02 1.01 -1.26 -2.67 116.67 127.70 1th0 s ASP 523 Ca -0.04 1.40 -0.19 0.00 0.71 0.00 0.00 52.55 54.43 1th0 s ASP 523 Cb -0.03 -2.43 -0.08 0.00 1.01 0.00 0.00 42.92 41.39 1th0 s ASP 523 CO 0.01 -0.34 1.02 -0.76 0.21 0.00 0.00 175.17 175.30 1th0 s LEU 524 N -3.37 3.79 -1.10 1.23 1.43 -1.26 -4.94 118.68 114.45 1th0 s LEU 524 Ca 0.56 1.82 -0.15 0.00 -1.03 0.00 0.00 54.13 55.33 1th0 s LEU 524 Cb -0.10 -4.55 0.16 0.00 0.03 0.00 0.00 46.19 41.74 1th0 s LEU 524 CO 0.21 -0.73 1.31 0.21 0.23 0.00 0.00 176.35 177.58 1th0 s ASN 525 N -2.26 6.93 0.43 2.29 3.04 -1.26 -4.85 114.94 119.25 1th0 s ASN 525 Ca 0.65 -2.69 0.22 0.00 0.04 0.00 0.00 52.86 51.08 1th0 s ASN 525 Cb -0.14 -2.39 1.21 0.00 -1.54 0.00 0.00 41.25 38.39 1th0 s ASN 525 CO 0.22 -0.83 1.77 0.25 -3.04 0.00 0.00 177.10 175.47 1th0 h LEU 526 N 9.81 0.35 -2.67 3.21 5.85 -1.96 -1.00 115.31 128.91 1th0 h LEU 526 Ca 0.26 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 1th0 h LEU 526 Cb 0.93 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 1th0 h LEU 526 CO 1.18 0.05 -0.00 -0.07 -0.34 0.00 0.00 178.44 179.26 1th0 h LEU 527 N 0.30 0.00 -1.02 2.25 3.38 -2.04 -2.20 115.31 115.98 1th0 h LEU 527 Ca 0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.57 1th0 h LEU 527 Cb 1.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.44 1th0 h LEU 527 CO -0.25 0.00 -0.37 -0.62 0.09 0.00 0.00 178.44 177.30 1th0 n GLU 528 N -3.10 1.29 -3.52 1.13 -0.58 -0.38 -4.94 120.64 110.54 1th0 n GLU 528 Ca -0.02 -1.02 -0.34 0.00 -0.42 0.00 0.00 57.16 55.35 1th0 n GLU 528 Cb 0.12 -1.48 -0.05 0.00 -0.57 0.00 0.00 31.44 29.46 1th0 n GLU 528 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1th0 s TRP 529 N -2.41 3.56 0.07 -0.32 0.52 -0.83 -4.81 118.94 114.72 1th0 s TRP 529 Ca 0.21 0.84 0.01 0.00 0.02 0.00 0.00 56.10 57.19 1th0 s TRP 529 Cb 0.19 -2.20 -0.03 0.00 -1.15 0.00 0.00 33.47 30.27 1th0 s TRP 529 CO 0.52 0.46 -0.06 -0.08 0.02 0.00 0.00 176.95 177.81 1th0 s THR 530 N -1.48 0.55 0.06 2.01 -1.32 -0.57 -5.02 115.64 109.87 1th0 s THR 530 Ca 0.36 -1.59 0.02 0.00 -1.21 0.00 0.00 61.69 59.28 1th0 s THR 530 Cb -0.14 -1.24 -0.03 0.00 -1.51 0.00 0.00 72.50 69.58 1th0 s THR 530 CO 0.19 -0.71 -0.08 -1.38 -2.21 0.00 0.00 174.62 170.43 1th0 s HIS 531 N -2.82 0.79 -0.17 9.09 -3.43 -1.26 -1.37 115.29 116.12 1th0 s HIS 531 Ca 0.03 -0.64 -0.13 0.00 -0.80 0.00 0.00 55.06 53.51 1th0 s HIS 531 Cb -0.00 -0.46 0.05 0.00 -1.43 0.00 0.00 32.58 30.74 1th0 s HIS 531 CO -0.04 -0.10 0.43 -1.58 -2.00 0.00 0.00 174.74 171.46 1th0 s HIS 532 N -2.18 -0.53 -0.32 0.38 5.04 0.07 -4.93 115.29 112.82 1th0 s HIS 532 Ca -0.02 1.22 -0.12 0.00 -1.54 0.00 0.00 55.06 54.61 1th0 s HIS 532 Cb -0.05 0.20 -0.03 0.00 0.04 0.00 0.00 32.58 32.75 1th0 s HIS 532 CO -0.01 -0.27 0.22 -1.12 -2.34 0.00 0.00 174.74 171.22 1th0 s SER 533 N 0.61 6.02 0.12 9.88 0.01 -1.26 -1.32 113.70 127.76 1th0 s SER 533 Ca -0.03 -0.28 -0.31 0.00 1.31 0.00 0.00 55.95 56.64 1th0 s SER 533 Cb -0.05 -2.13 -0.09 0.00 0.21 0.00 0.00 66.02 63.96 1th0 s SER 533 CO -0.04 -0.17 1.67 -0.04 0.41 0.00 0.00 173.24 175.08 1th0 s MET 534 N 1.73 4.18 0.79 12.44 -1.94 -0.96 -4.96 119.30 130.58 1th0 s MET 534 Ca 0.06 2.41 -0.11 0.00 -1.71 0.00 0.00 55.69 56.34 1th0 s MET 534 Cb -0.17 -3.44 0.06 0.00 2.01 0.00 0.00 34.83 33.29 1th0 s MET 534 CO 0.10 -0.72 1.09 0.15 -0.01 0.00 0.00 175.02 175.63 1th0 s LYS 535 N 2.15 2.19 0.64 2.03 1.02 -1.26 -4.79 119.74 121.71 1th0 s LYS 535 Ca 0.74 0.74 0.30 0.00 0.02 0.00 0.00 55.97 57.77 1th0 s LYS 535 Cb -0.43 -1.92 1.62 0.00 -0.52 0.00 0.00 37.83 36.58 1th0 s LYS 535 CO 0.33 -1.57 1.95 -1.35 -0.92 0.00 0.00 175.35 173.79 1th0 h PRO 536 N -1.06 0.00 0.00 -1.68 0.11 -1.87 -0.26 132.00 127.24 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 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1th0 h PRO 536 CO 0.58 0.00 -0.98 -2.39 -0.21 0.00 0.00 178.00 175.00 1th0 n HIS 537 N -3.23 0.43 0.15 0.65 1.44 -1.26 -4.16 115.22 109.24 1th0 n HIS 537 Ca 0.01 0.13 0.06 0.00 -2.01 0.00 0.00 57.72 55.91 1th0 n HIS 537 Cb 0.44 -0.58 0.05 0.00 0.12 0.00 0.00 29.99 30.03 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 0.00 0.00 -3.65 -1.40 5.08 -1.38 -3.46 114.58 109.76 1th0 h GLU 538 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1th0 h GLU 538 Cb 0.79 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.83 1th0 h GLU 538 CO 0.00 0.26 -0.57 0.96 -1.00 0.00 0.00 179.01 178.67 1th0 s ILE 539 N -3.08 0.08 0.36 3.13 -4.36 -1.21 -4.93 121.20 111.20 1th0 s ILE 539 Ca 0.04 -0.68 -0.28 0.00 -0.26 0.00 0.00 60.65 59.46 1th0 s ILE 539 Cb 0.07 -0.35 -0.11 0.00 1.25 0.00 0.00 42.46 43.32 1th0 s ILE 539 CO 0.74 -0.38 1.51 -2.16 0.24 0.00 0.00 174.94 174.89 1th0 s PRO 540 N -1.25 4.11 0.23 0.37 0.04 -1.26 -4.80 135.00 132.43 1th0 s PRO 540 Ca -0.14 2.58 0.06 0.00 0.04 0.00 0.00 61.00 63.54 1th0 s PRO 540 Cb -0.08 -2.98 -0.03 0.00 0.04 0.00 0.00 34.50 31.45 1th0 s PRO 540 CO 0.01 -0.55 0.26 -0.65 0.04 0.00 0.00 177.00 176.10 1th0 s GLN 541 N -1.83 3.16 0.30 4.56 -1.52 -1.26 -4.75 119.66 118.32 1th0 s GLN 541 Ca 0.55 -0.88 -0.15 0.00 -1.95 0.00 0.00 55.36 52.92 1th0 s GLN 541 Cb -0.47 -2.73 -0.09 0.00 -0.22 0.00 0.00 33.01 29.50 1th0 s GLN 541 CO 0.61 0.43 0.72 1.14 -0.25 0.00 0.00 175.29 177.94 1th0 s GLN 542 N -3.76 4.03 -0.12 2.91 -2.07 -0.46 -4.49 119.66 115.70 1th0 s GLN 542 Ca 0.33 0.67 0.15 0.00 -1.82 0.00 0.00 55.36 54.69 1th0 s GLN 542 Cb -0.09 -2.53 0.33 0.00 -1.09 0.00 0.00 33.01 29.63 1th0 s GLN 542 CO 0.27 0.21 1.22 1.28 -1.32 0.00 0.00 175.29 176.95 1th0 n LEU 543 N -0.15 2.83 0.00 2.60 4.77 -1.26 -4.91 117.00 120.87 1th0 n LEU 543 Ca 0.02 -2.83 -0.05 0.00 -0.03 0.00 0.00 56.01 53.12 1th0 n LEU 543 Cb 0.53 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1th0 n LEU 543 CO 0.42 0.67 0.03 -0.46 -1.33 0.00 0.00 177.39 176.72 1th0 n ASN 544 N -0.86 -0.36 -0.99 -1.43 0.23 -1.26 -5.07 115.26 105.52 1th0 n ASN 544 Ca 0.15 -1.62 0.02 0.00 -0.53 0.00 0.00 54.58 52.60 1th0 n ASN 544 Cb 0.65 0.71 0.22 0.00 -2.08 0.00 0.00 39.78 39.28 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 -0.19 4.53 0.00 4.83 0.00 -1.26 -4.63 105.19 108.47 1th0 n GLY 545 Ca 0.01 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.89 0.33 -1.16 1.61 3.41 -1.26 -4.87 113.62 110.80 1th0 n SER 546 Ca 0.27 -0.15 0.08 0.00 -0.26 0.00 0.00 58.87 58.82 1th0 n SER 546 Cb 0.96 0.36 0.26 0.00 -0.26 0.00 0.00 64.21 65.53 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 -0.39 3.37 -0.21 4.04 8.00 -1.26 -4.35 116.55 125.74 1th0 n ASP 547 Ca 0.00 -2.15 0.01 0.00 0.71 0.00 0.00 54.79 53.36 1th0 n ASP 547 Cb 0.00 -0.43 0.26 0.00 -0.02 0.00 0.00 41.12 40.92 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 0.99 0.24 1.29 0.00 0.00 -1.83 -2.21 103.07 101.55 1th0 h GLY 549 Ca 0.28 -0.23 -0.22 0.00 0.00 0.00 0.00 47.33 47.16 1th0 h GLY 549 CO -0.06 0.20 -0.83 -0.33 0.00 0.00 0.00 176.54 175.52 1th0 h MET 550 N 0.19 0.68 -0.65 4.80 2.07 -1.66 -2.44 114.93 117.92 1th0 h MET 550 Ca 0.02 -0.60 -0.05 0.00 -2.07 0.00 0.00 59.70 57.00 1th0 h MET 550 Cb 0.79 0.14 -0.03 0.00 -1.87 0.00 0.00 31.60 30.63 1th0 h MET 550 CO 0.06 1.21 0.22 0.74 1.07 0.00 0.00 176.91 180.21 1th0 h PHE 551 N 0.45 1.00 -0.33 -0.22 -1.00 -1.08 -0.12 116.94 115.64 1th0 h PHE 551 Ca -0.06 -0.08 -0.02 0.00 2.81 0.00 0.00 57.97 60.62 1th0 h PHE 551 Cb 1.45 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 40.70 1th0 h PHE 551 CO 0.08 0.79 0.15 1.15 -1.61 0.00 0.00 178.31 178.87 1th0 h THR 552 N 0.95 1.17 -0.52 -1.55 2.02 -1.35 0.18 112.91 113.81 1th0 h THR 552 Ca 0.22 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 1th0 h THR 552 Cb 0.25 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1th0 h THR 552 CO -0.01 0.18 0.22 0.00 0.37 0.00 0.00 175.52 176.28 1th0 h LYS 554 N 0.70 0.00 0.12 0.00 1.79 -0.87 -0.01 116.57 118.31 1th0 h LYS 554 Ca 0.18 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.64 1th0 h LYS 554 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1th0 h LYS 554 CO -0.02 0.63 -0.06 1.88 -1.08 0.00 0.00 179.45 180.80 1th0 h TYR 555 N 0.00 -0.15 -0.67 -1.35 0.99 -0.47 -1.93 116.97 113.39 1th0 h TYR 555 Ca -0.01 -0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.81 1th0 h TYR 555 Cb 1.22 0.05 -0.07 0.00 1.00 0.00 0.00 36.73 38.93 1th0 h TYR 555 CO 0.00 0.09 0.32 0.00 -0.00 0.00 0.00 178.16 178.57 1th0 h ALA 556 N 0.46 0.90 0.45 3.88 0.00 -1.06 0.39 119.26 124.29 1th0 h ALA 556 Ca -0.02 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1th0 h ALA 556 Cb 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1th0 h ALA 556 CO 0.03 -0.07 -0.22 0.22 0.00 0.00 0.00 179.25 179.21 1th0 h ASP 557 N 0.56 -0.52 -0.32 0.00 3.58 -0.84 -1.79 116.42 117.10 1th0 h ASP 557 Ca 0.33 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.75 1th0 h ASP 557 Cb 0.33 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.50 1th0 h ASP 557 CO -0.26 -0.37 0.02 1.88 -2.88 0.00 0.00 179.24 177.64 1th0 h TYR 558 N -0.61 0.59 -0.94 0.28 -1.99 -1.13 -3.18 116.97 109.98 1th0 h TYR 558 Ca -0.06 -0.09 0.01 0.00 2.00 0.00 0.00 58.73 60.58 1th0 h TYR 558 Cb 0.47 -0.16 -0.05 0.00 2.00 0.00 0.00 36.73 39.00 1th0 h TYR 558 CO -0.04 0.65 0.62 0.97 -0.00 0.00 0.00 178.16 180.36 1th0 h ILE 559 N 0.36 1.24 0.00 -2.88 6.09 -0.95 -1.76 117.51 119.61 1th0 h ILE 559 Ca 0.09 -0.45 0.00 0.00 -1.37 0.00 0.00 64.86 63.14 1th0 h ILE 559 Cb 0.40 -0.14 0.00 0.00 0.47 0.00 0.00 36.82 37.55 1th0 h ILE 559 CO 0.01 0.24 0.00 -1.54 -3.07 0.00 0.00 178.15 173.79 1th0 n SER 560 N -4.42 0.00 -0.41 2.19 3.41 -0.68 -1.56 113.62 112.14 1th0 n SER 560 Ca 0.11 0.34 0.05 0.00 -0.26 0.00 0.00 58.87 59.10 1th0 n SER 560 Cb 0.01 -0.41 0.12 0.00 -0.26 0.00 0.00 64.21 63.67 1th0 n SER 560 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1th0 n ARG 561 N -1.41 2.77 -2.48 4.33 1.74 -0.80 -4.30 116.66 116.50 1th0 n ARG 561 Ca 0.04 -2.03 -0.14 0.00 -0.77 0.00 0.00 57.85 54.95 1th0 n ARG 561 Cb 0.13 -1.28 -0.01 0.00 -1.02 0.00 0.00 32.46 30.28 1th0 n ARG 561 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1th0 n ASP 562 N -0.14 -4.20 -4.75 0.55 8.00 -0.60 -4.94 116.55 110.45 1th0 n ASP 562 Ca 0.10 0.13 -0.36 0.00 0.71 0.00 0.00 54.79 55.37 1th0 n ASP 562 Cb 0.45 -3.55 -0.07 0.00 -0.02 0.00 0.00 41.12 37.93 1th0 n ASP 562 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1th0 s LYS 563 N -5.09 4.15 0.36 -1.24 0.00 -0.73 -5.04 119.74 112.16 1th0 s LYS 563 Ca 0.02 0.05 -0.28 0.00 0.00 0.00 0.00 55.97 55.76 1th0 s LYS 563 Cb -0.01 -3.39 -0.11 0.00 0.00 0.00 0.00 37.83 34.32 1th0 s LYS 563 CO 0.03 0.33 1.42 -0.35 0.00 0.00 0.00 175.35 176.78 1th0 n PRO 564 N 3.29 2.50 -2.48 1.78 -0.04 -1.26 -4.32 135.00 134.47 1th0 n PRO 564 Ca -0.13 0.88 -0.39 0.00 -0.04 0.00 0.00 63.50 63.81 1th0 n PRO 564 Cb 0.52 -2.56 -0.03 0.00 -0.04 0.00 0.00 33.50 31.39 1th0 n PRO 564 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1th0 s ILE 565 N -1.10 3.78 -2.16 0.52 1.01 -1.26 -4.79 121.20 117.21 1th0 s ILE 565 Ca 0.54 -0.31 0.18 0.00 0.00 0.00 0.00 60.65 61.06 1th0 s ILE 565 Cb -0.51 -4.85 0.18 0.00 0.01 0.00 0.00 42.46 37.29 1th0 s ILE 565 CO 0.63 -1.76 1.10 0.35 0.00 0.00 0.00 174.94 175.26 1th0 n THR 566 N 6.85 0.10 -1.50 2.92 -2.24 -1.26 -4.67 114.28 114.48 1th0 n THR 566 Ca 0.24 -0.55 -0.29 0.00 -2.27 0.00 0.00 64.05 61.18 1th0 n THR 566 Cb 0.50 1.29 0.12 0.00 -2.10 0.00 0.00 70.33 70.14 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 -1.44 2.57 0.29 4.78 -0.12 -1.26 -5.08 117.98 117.72 1th0 s PHE 567 Ca 0.22 0.97 0.04 0.00 -0.05 0.00 0.00 56.93 58.11 1th0 s PHE 567 Cb 0.15 -3.29 -0.04 0.00 -0.63 0.00 0.00 43.02 39.22 1th0 s PHE 567 CO 0.23 -2.23 0.19 0.95 -0.05 0.00 0.00 175.22 174.31 1th0 s THR 568 N -3.21 0.11 0.31 -4.49 -4.23 -1.26 -4.60 115.64 98.28 1th0 s THR 568 Ca 0.63 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 1th0 s THR 568 Cb -0.15 -2.50 0.28 0.00 1.34 0.00 0.00 72.50 71.47 1th0 s THR 568 CO 0.54 0.00 1.93 -0.61 -0.54 0.00 0.00 174.62 175.94 1th0 h GLN 569 N 2.30 0.98 -0.86 3.99 5.75 -1.95 -2.30 115.11 123.01 1th0 h GLN 569 Ca -0.31 -0.06 0.16 0.00 -0.15 0.00 0.00 58.65 58.29 1th0 h GLN 569 Cb 1.24 -0.22 -0.07 0.00 1.07 0.00 0.00 27.48 29.51 1th0 h GLN 569 CO 0.46 0.65 0.56 1.25 -2.65 0.00 0.00 178.83 179.10 1th0 h HIS 570 N 1.01 0.67 -0.00 3.99 2.76 -1.96 -1.61 115.15 120.00 1th0 h HIS 570 Ca 0.36 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.55 1th0 h HIS 570 Cb 0.13 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 28.88 1th0 h HIS 570 CO -0.00 0.23 -0.08 1.04 -1.30 0.00 0.00 177.93 177.82 1th0 n GLN 571 N -4.53 0.52 -0.30 5.26 6.02 -0.87 -4.21 117.38 119.26 1th0 n GLN 571 Ca 0.17 -0.12 0.02 0.00 -0.01 0.00 0.00 57.00 57.06 1th0 n GLN 571 Cb 0.54 -1.50 0.21 0.00 1.02 0.00 0.00 30.24 30.51 1th0 n GLN 571 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1th0 h MET 572 N 0.30 1.08 -0.80 -1.09 2.86 -1.36 -2.15 114.93 113.77 1th0 h MET 572 Ca 0.00 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1th0 h MET 572 Cb 0.35 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 31.72 1th0 h MET 572 CO 0.00 0.72 0.50 -1.35 1.06 0.00 0.00 176.91 177.84 1th0 h PRO 573 N 1.12 1.08 -0.36 -0.22 0.11 -1.79 -0.52 132.00 131.41 1th0 h PRO 573 Ca 0.36 -0.09 -0.15 0.00 0.11 0.00 0.00 66.00 66.24 1th0 h PRO 573 Cb 0.03 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 30.90 1th0 h PRO 573 CO -0.11 0.74 -0.34 1.25 -0.21 0.00 0.00 178.00 179.33 1th0 h LEU 574 N 1.10 0.93 -0.88 2.35 7.12 -1.75 -2.87 115.31 121.30 1th0 h LEU 574 Ca 0.29 -0.46 0.02 0.00 0.13 0.00 0.00 57.88 57.86 1th0 h LEU 574 Cb -0.07 -0.26 -0.05 0.00 -0.53 0.00 0.00 40.66 39.75 1th0 h LEU 574 CO -0.06 1.20 0.58 -0.26 -0.13 0.00 0.00 178.44 179.77 1th0 h PHE 575 N 0.67 1.09 -0.49 1.25 0.04 -0.75 0.69 116.94 119.44 1th0 h PHE 575 Ca 0.06 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.86 1th0 h PHE 575 Cb 0.93 -0.37 -0.03 0.00 2.20 0.00 0.00 35.95 38.69 1th0 h PHE 575 CO 0.07 0.65 0.32 0.00 -0.60 0.00 0.00 178.31 178.75 1th0 h ARG 576 N 1.15 0.64 -0.42 1.51 3.08 -1.03 0.16 114.38 119.47 1th0 h ARG 576 Ca 0.34 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.27 1th0 h ARG 576 Cb -0.06 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 1th0 h ARG 576 CO -0.10 0.43 -0.05 0.87 -1.07 0.00 0.00 179.97 180.05 1th0 h LYS 577 N 0.66 0.78 -0.60 0.04 1.57 -1.20 -2.78 116.57 115.04 1th0 h LYS 577 Ca 0.18 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1th0 h LYS 577 Cb -0.07 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 1th0 h LYS 577 CO -0.04 0.88 0.40 -0.22 -0.57 0.00 0.00 179.45 179.89 1th0 h LYS 578 N 0.60 0.80 -0.25 3.15 3.64 -0.52 -2.71 116.57 121.28 1th0 h LYS 578 Ca 0.11 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1th0 h LYS 578 Cb 0.56 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1th0 h LYS 578 CO 0.03 0.53 -0.01 1.98 -2.27 0.00 0.00 179.45 179.72 1th0 h MET 579 N 0.82 0.37 -0.44 1.90 4.05 -0.55 -0.34 114.93 120.73 1th0 h MET 579 Ca 0.22 -0.06 -0.07 0.00 -0.28 0.00 0.00 59.70 59.50 1th0 h MET 579 Cb -0.09 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.64 1th0 h MET 579 CO -0.05 0.40 -0.01 -0.24 0.23 0.00 0.00 176.91 177.24 1th0 h VAL 580 N 0.36 1.26 0.01 -5.77 3.04 -1.21 0.11 116.25 114.05 1th0 h VAL 580 Ca 0.08 -1.06 -0.00 0.00 -1.01 0.00 0.00 66.70 64.71 1th0 h VAL 580 Cb 0.25 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 1th0 h VAL 580 CO 0.01 0.36 -0.01 -0.25 -1.01 0.00 0.00 177.57 176.67 1th0 h TRP 581 N 0.62 -0.02 -0.97 3.17 7.01 -1.34 0.11 115.95 124.53 1th0 h TRP 581 Ca 0.12 -0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.23 1th0 h TRP 581 Cb 0.51 0.01 -0.08 0.00 -2.10 0.00 0.00 29.16 27.49 1th0 h TRP 581 CO 0.04 0.09 0.60 0.93 -2.79 0.00 0.00 178.44 177.32 1th0 h GLU 582 N -0.12 0.95 -0.17 2.65 5.08 -0.87 0.29 114.58 122.38 1th0 h GLU 582 Ca -0.00 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.11 1th0 h GLU 582 Cb 0.12 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1th0 h GLU 582 CO 0.00 0.63 -0.67 0.82 -1.00 0.00 0.00 179.01 178.79 1th0 h ILE 583 N 0.98 1.31 -0.46 3.13 2.04 -0.51 0.19 117.51 124.19 1th0 h ILE 583 Ca 0.47 -1.93 -0.03 0.00 1.00 0.00 0.00 64.86 64.38 1th0 h ILE 583 Cb 0.43 1.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 1th0 h ILE 583 CO -0.25 0.60 0.18 -0.07 0.00 0.00 0.00 178.15 178.62 1th0 h LEU 584 N 0.48 0.64 -1.11 1.44 3.38 0.05 -3.04 115.31 117.16 1th0 h LEU 584 Ca -0.02 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1th0 h LEU 584 Cb 1.27 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1th0 h LEU 584 CO 0.13 0.63 -0.10 1.41 0.09 0.00 0.00 178.44 180.61 1th0 n HIS 585 N -4.59 0.00 -3.84 1.13 8.25 -0.01 -4.86 115.22 111.30 1th0 n HIS 585 Ca 0.01 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.20 1th0 n HIS 585 Cb 0.15 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.26 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 0.28 -5.10 -3.69 -0.41 6.02 0.59 -4.98 117.38 110.08 1th0 n GLN 586 Ca 0.16 0.59 -0.12 0.00 -0.01 0.00 0.00 57.00 57.62 1th0 n GLN 586 Cb 0.42 -5.30 -0.09 0.00 1.02 0.00 0.00 30.24 26.29 1th0 n GLN 586 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1th0 s GLN 587 N -6.38 0.53 0.17 -1.09 2.00 -0.68 -5.04 119.66 109.17 1th0 s GLN 587 Ca 0.37 0.79 -0.05 0.00 -2.00 0.00 0.00 55.36 54.47 1th0 s GLN 587 Cb -0.19 0.17 -0.06 0.00 0.80 0.00 0.00 33.01 33.73 1th0 s GLN 587 CO 0.83 -0.11 0.41 -0.51 -0.50 0.00 0.00 175.29 175.42 1th0 s LEU 588 N 0.80 4.23 0.00 3.68 1.43 -1.26 -4.26 118.68 123.30 1th0 s LEU 588 Ca -0.04 0.61 0.25 0.00 -1.03 0.00 0.00 54.13 53.92 1th0 s LEU 588 Cb -0.05 -3.36 0.31 0.00 0.03 0.00 0.00 46.19 43.11 1th0 s LEU 588 CO -0.06 0.00 1.32 0.18 0.23 0.00 0.00 176.35 178.02