#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2puw s TYR 350 N 0.00 3.08 -0.20 6.00 1.51 -1.26 -5.06 117.35 121.42 2puw s TYR 350 Ca 0.00 -0.10 0.17 0.00 -1.01 0.00 0.00 57.07 56.12 2puw s TYR 350 Cb 0.00 -1.41 0.09 0.00 -0.11 0.00 0.00 41.96 40.54 2puw s TYR 350 CO 0.00 0.53 1.42 1.57 -1.11 0.00 0.00 175.55 177.96 2puw h LYS 351 N 1.71 0.00 -5.61 -0.62 2.10 -2.03 -3.46 116.57 108.66 2puw h LYS 351 Ca -0.48 0.00 -0.46 0.00 -2.00 0.00 0.00 60.65 57.71 2puw h LYS 351 Cb 1.23 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 32.35 2puw h LYS 351 CO 0.61 0.40 -0.79 -1.01 -2.00 0.00 0.00 179.45 176.65 2puw s HIS 352 N -3.01 1.41 0.16 0.07 3.76 -1.26 -5.05 115.29 111.36 2puw s HIS 352 Ca 0.04 -0.45 -0.16 0.00 -0.15 0.00 0.00 55.06 54.33 2puw s HIS 352 Cb 0.07 -0.78 0.06 0.00 1.11 0.00 0.00 32.58 33.05 2puw s HIS 352 CO 0.74 0.11 1.74 0.74 -0.85 0.00 0.00 174.74 177.21 2puw h PHE 353 N 4.18 0.15 -0.54 1.40 0.04 -1.94 -2.03 116.94 118.20 2puw h PHE 353 Ca -0.42 0.02 0.05 0.00 2.80 0.00 0.00 57.97 60.42 2puw h PHE 353 Cb 1.19 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 39.27 2puw h PHE 353 CO 0.63 0.04 0.26 1.98 -0.60 0.00 0.00 178.31 180.62 2puw h MET 354 N 0.22 0.49 -0.98 1.51 4.05 -1.87 -0.55 114.93 117.80 2puw h MET 354 Ca 0.16 -0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.66 2puw h MET 354 Cb 0.17 -0.11 -0.08 0.00 -0.80 0.00 0.00 31.60 30.78 2puw h MET 354 CO -0.20 0.32 0.61 0.37 0.23 0.00 0.00 176.91 178.25 2puw h GLN 355 N 0.51 0.99 0.31 0.39 4.15 -1.85 -2.55 115.11 117.04 2puw h GLN 355 Ca 0.24 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 2puw h GLN 355 Cb 0.17 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 2puw h GLN 355 CO -0.18 0.65 -0.33 -0.22 -1.93 0.00 0.00 178.83 176.83 2puw h LYS 356 N 1.01 -0.61 0.00 1.69 3.64 -0.41 -2.93 116.57 118.96 2puw h LYS 356 Ca 0.47 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 2puw h LYS 356 Cb 0.39 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 2puw h LYS 356 CO -0.24 -0.41 0.00 -0.85 -2.27 0.00 0.00 179.45 175.68 2puw n GLU 357 N -4.35 0.15 -0.02 1.90 0.28 -0.77 -0.32 120.64 117.50 2puw n GLU 357 Ca -0.08 0.53 -0.12 0.00 -0.16 0.00 0.00 57.16 57.34 2puw n GLU 357 Cb 0.29 -1.88 -0.07 0.00 1.43 0.00 0.00 31.44 31.21 2puw n GLU 357 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 2puw h ILE 358 N 0.00 1.23 0.00 3.84 2.04 -1.27 -2.87 117.51 120.48 2puw h ILE 358 Ca 0.00 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.14 2puw h ILE 358 Cb 0.15 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 2puw h ILE 358 CO 0.00 0.20 0.00 0.49 0.00 0.00 0.00 178.15 178.84 2puw n PHE 359 N -4.85 0.00 0.20 1.37 3.01 0.56 -1.59 117.46 116.16 2puw n PHE 359 Ca -0.06 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.48 2puw n PHE 359 Cb 0.18 -0.07 0.32 0.00 -0.01 0.00 0.00 39.48 39.89 2puw n PHE 359 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 2puw h GLU 360 N 0.00 0.00 -0.45 -1.08 4.22 -1.06 -3.37 114.58 112.84 2puw h GLU 360 Ca 0.00 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.46 2puw h GLU 360 Cb 0.07 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2puw h GLU 360 CO 0.00 0.27 0.26 1.96 -2.18 0.00 0.00 179.01 179.32 2puw h GLN 361 N 0.00 0.51 0.00 1.92 4.20 -1.26 0.30 115.11 120.78 2puw h GLN 361 Ca -0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2puw h GLN 361 Cb 0.94 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.60 2puw h GLN 361 CO 0.03 0.34 0.00 -0.35 -0.67 0.00 0.00 178.83 178.18 2puw n PRO 362 N -4.84 0.14 -0.05 1.46 -0.04 -1.26 -1.18 135.00 129.23 2puw n PRO 362 Ca 0.02 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.37 2puw n PRO 362 Cb 0.07 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.01 2puw n PRO 362 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2puw n ASP 363 N -0.99 0.88 -0.26 3.54 9.92 0.48 -4.21 116.55 125.92 2puw n ASP 363 Ca 0.03 0.15 0.05 0.00 -0.53 0.00 0.00 54.79 54.49 2puw n ASP 363 Cb 0.01 -0.35 0.19 0.00 -0.64 0.00 0.00 41.12 40.33 2puw n ASP 363 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 2puw h SER 364 N -0.41 0.33 -0.38 -2.24 4.64 -0.36 -1.80 113.55 113.34 2puw h SER 364 Ca -0.25 0.10 0.04 0.00 -0.47 0.00 0.00 61.79 61.21 2puw h SER 364 Cb 1.15 0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.27 2puw h SER 364 CO -0.15 0.13 0.16 0.00 -0.87 0.00 0.00 176.83 176.10 2puw h ALA 365 N 1.54 0.45 -0.86 5.18 0.00 -1.39 -2.23 119.26 121.96 2puw h ALA 365 Ca 0.41 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.39 2puw h ALA 365 Cb 0.61 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 2puw h ALA 365 CO -0.38 -0.22 0.55 0.35 0.00 0.00 0.00 179.25 179.54 2puw h PHE 366 N 0.33 1.02 0.00 0.00 3.57 -1.52 -2.41 116.94 117.93 2puw h PHE 366 Ca 0.17 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 2puw h PHE 366 Cb 0.11 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 2puw h PHE 366 CO -0.12 0.58 -0.25 -0.91 -2.23 0.00 0.00 178.31 175.38 2puw h ASN 367 N 1.05 0.00 0.28 0.41 2.35 -1.18 0.59 115.58 119.08 2puw h ASN 367 Ca 0.35 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.97 2puw h ASN 367 Cb 0.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 2puw h ASN 367 CO -0.13 0.25 -0.51 0.74 -1.65 0.00 0.00 177.43 176.13 2puw h THR 368 N 0.00 1.35 0.02 2.81 2.02 -0.89 -3.03 112.91 115.19 2puw h THR 368 Ca -0.00 -1.76 -0.32 0.00 0.77 0.00 0.00 66.41 65.09 2puw h THR 368 Cb 0.74 1.84 -0.05 0.00 -1.74 0.00 0.00 68.15 68.94 2puw h THR 368 CO 0.03 0.53 -1.89 0.23 0.37 0.00 0.00 175.52 174.78 2puw n MET 369 N -3.95 0.66 -1.66 6.66 2.81 -1.08 -4.83 117.12 115.74 2puw n MET 369 Ca -0.02 0.24 -0.64 0.00 -1.81 0.00 0.00 57.70 55.47 2puw n MET 369 Cb 0.55 -1.73 -0.10 0.00 -0.71 0.00 0.00 33.22 31.24 2puw n MET 369 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2puw n ARG 370 N -3.07 0.27 -0.18 0.03 0.63 0.20 -0.01 116.66 114.53 2puw n ARG 370 Ca -0.23 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 2puw n ARG 370 Cb 1.07 -1.65 0.00 0.00 0.45 0.00 0.00 32.46 32.32 2puw n ARG 370 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2puw n GLY 371 N 4.64 0.65 0.11 5.14 0.00 -1.26 -4.69 105.19 109.78 2puw n GLY 371 Ca 0.34 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.47 2puw n GLY 371 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2puw h ARG 372 N 0.61 0.00 -5.26 1.61 -0.00 -0.67 -3.46 114.38 107.20 2puw h ARG 372 Ca 0.00 0.00 -0.58 0.00 -0.50 0.00 0.00 59.98 58.90 2puw h ARG 372 Cb 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 29.97 29.65 2puw h ARG 372 CO 0.00 0.00 -0.84 0.42 0.00 0.00 0.00 179.97 179.55 2puw s ILE 373 N -3.34 1.49 -0.28 2.04 1.01 -0.72 0.14 121.20 121.55 2puw s ILE 373 Ca 0.00 -0.74 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 2puw s ILE 373 Cb 0.10 -1.29 -0.05 0.00 0.01 0.00 0.00 42.46 41.23 2puw s ILE 373 CO 0.78 0.43 0.19 -0.62 0.00 0.00 0.00 174.94 175.72 2puw s ASP 374 N 0.13 6.02 0.12 3.58 2.15 -0.23 -4.93 116.67 123.50 2puw s ASP 374 Ca -0.06 -0.01 0.17 0.00 0.43 0.00 0.00 52.55 53.08 2puw s ASP 374 Cb -0.13 -2.12 -0.08 0.00 -0.30 0.00 0.00 42.92 40.29 2puw s ASP 374 CO 0.03 -0.05 0.95 -0.26 -0.17 0.00 0.00 175.17 175.67 2puw h PHE 375 N 8.34 0.00 0.06 -5.34 0.04 -1.96 -1.83 116.94 116.25 2puw h PHE 375 Ca -0.35 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.42 2puw h PHE 375 Cb 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 2puw h PHE 375 CO 0.76 0.47 -0.03 0.93 -0.60 0.00 0.00 178.31 179.84 2puw h GLU 376 N 0.00 -0.08 -0.22 1.51 3.07 -1.97 -3.36 114.58 113.54 2puw h GLU 376 Ca -0.12 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 2puw h GLU 376 Cb 1.46 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.39 2puw h GLU 376 CO 0.04 0.29 0.00 0.09 -1.40 0.00 0.00 179.01 178.03 2puw n ASN 377 N -4.95 2.53 -3.69 1.42 4.13 -1.26 -5.02 115.26 108.42 2puw n ASN 377 Ca -0.08 -1.84 -0.22 0.00 1.68 0.00 0.00 54.58 54.12 2puw n ASN 377 Cb 0.21 -0.15 0.03 0.00 -1.54 0.00 0.00 39.78 38.34 2puw n ASN 377 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2puw s VAL 379 N -3.66 1.85 -0.11 0.00 1.01 -1.16 -4.88 120.40 113.45 2puw s VAL 379 Ca 0.05 -2.22 0.02 0.00 0.00 0.00 0.00 61.98 59.83 2puw s VAL 379 Cb -0.01 -2.21 0.01 0.00 0.00 0.00 0.00 36.38 34.17 2puw s VAL 379 CO 0.82 -0.48 -0.17 -0.69 0.00 0.00 0.00 175.10 174.58 2puw s VAL 380 N -2.90 1.63 -0.35 2.92 1.01 -1.26 -1.07 120.40 120.37 2puw s VAL 380 Ca 0.26 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 2puw s VAL 380 Cb -0.00 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.95 2puw s VAL 380 CO 0.10 0.47 0.14 -0.89 0.00 0.00 0.00 175.10 174.91 2puw s THR 381 N 0.90 3.95 -0.49 3.92 2.01 0.38 -4.76 115.64 121.56 2puw s THR 381 Ca -0.08 -1.14 -0.06 0.00 0.31 0.00 0.00 61.69 60.73 2puw s THR 381 Cb -0.15 -3.26 0.13 0.00 0.01 0.00 0.00 72.50 69.22 2puw s THR 381 CO -0.01 -0.24 0.32 -0.76 -0.69 0.00 0.00 174.62 173.25 2puw s LEU 382 N 1.42 5.49 0.16 4.42 1.43 -1.26 -4.57 118.68 125.77 2puw s LEU 382 Ca -0.00 -2.16 -0.27 0.00 -1.03 0.00 0.00 54.13 50.66 2puw s LEU 382 Cb -0.20 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 2puw s LEU 382 CO 0.03 -0.57 1.57 1.23 0.23 0.00 0.00 176.35 178.84 2puw h GLY 383 N 8.01 -0.60 -0.14 -3.19 0.00 -1.96 -2.93 103.07 102.25 2puw h GLY 383 Ca -0.13 0.59 0.18 0.00 0.00 0.00 0.00 47.33 47.97 2puw h GLY 383 CO 0.77 -0.16 0.25 -1.33 0.00 0.00 0.00 176.54 176.06 2puw h GLY 384 N -0.30 1.20 2.00 4.60 0.00 -1.95 0.17 103.07 108.79 2puw h GLY 384 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.40 2puw h GLY 384 CO -0.62 -0.23 0.00 1.41 0.00 0.00 0.00 176.54 177.10 2puw h LEU 385 N 0.31 0.00 -1.10 3.11 3.38 -1.72 -3.39 115.31 115.90 2puw h LEU 385 Ca 0.47 0.00 0.39 0.00 0.09 0.00 0.00 57.88 58.82 2puw h LEU 385 Cb 0.84 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.47 2puw h LEU 385 CO -0.53 0.00 0.70 1.17 0.09 0.00 0.00 178.44 179.87 2puw n LYS 386 N -2.80 -0.03 -0.10 1.13 0.00 0.59 0.24 118.16 117.18 2puw n LYS 386 Ca 0.04 1.03 0.12 0.00 0.00 0.00 0.00 58.31 59.50 2puw n LYS 386 Cb 0.47 -2.01 0.21 0.00 0.00 0.00 0.00 35.03 33.70 2puw n LYS 386 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2puw n SER 387 N -4.36 3.00 -0.11 3.14 3.41 -1.26 -4.27 113.62 113.17 2puw n SER 387 Ca 0.33 -1.94 0.02 0.00 -0.26 0.00 0.00 58.87 57.02 2puw n SER 387 Cb 1.26 -0.14 0.01 0.00 -0.26 0.00 0.00 64.21 65.08 2puw n SER 387 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 2puw n TRP 388 N 1.24 0.00 0.00 7.33 7.02 0.66 -4.91 117.44 128.78 2puw n TRP 388 Ca 0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.65 2puw n TRP 388 Cb 0.56 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.45 2puw n TRP 388 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2puw n LEU 389 N -0.11 0.02 0.32 -0.99 4.77 -0.77 -1.47 117.00 118.76 2puw n LEU 389 Ca 0.02 0.90 0.06 0.00 -0.03 0.00 0.00 56.01 56.96 2puw n LEU 389 Cb 0.08 -0.48 0.34 0.00 -2.33 0.00 0.00 43.42 41.03 2puw n LEU 389 CO 0.03 -0.48 1.03 0.77 -1.33 0.00 0.00 177.39 177.41 2puw h SER 390 N 0.00 0.00 0.13 -1.43 4.64 -1.90 1.19 113.55 116.17 2puw h SER 390 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2puw h SER 390 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2puw h SER 390 CO 0.00 0.00 -0.06 0.74 -0.87 0.00 0.00 176.83 176.64 2puw h THR 391 N 0.00 0.85 -0.79 2.95 2.02 -1.84 -3.11 112.91 113.00 2puw h THR 391 Ca 0.00 -1.27 0.13 0.00 0.77 0.00 0.00 66.41 66.04 2puw h THR 391 Cb 1.40 1.49 -0.06 0.00 -1.74 0.00 0.00 68.15 69.24 2puw h THR 391 CO 0.00 0.24 0.52 0.40 0.37 0.00 0.00 175.52 177.05 2puw h ILE 392 N -0.90 0.86 -0.67 3.11 2.04 0.25 -2.23 117.51 119.97 2puw h ILE 392 Ca -0.02 -0.20 0.07 0.00 1.00 0.00 0.00 64.86 65.71 2puw h ILE 392 Cb 0.52 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 2puw h ILE 392 CO 0.03 0.11 0.35 0.03 0.00 0.00 0.00 178.15 178.67 2puw h ARG 393 N 0.60 0.62 -0.69 2.37 3.08 -1.04 -3.07 114.38 116.25 2puw h ARG 393 Ca 0.38 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.40 2puw h ARG 393 Cb 0.66 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.57 2puw h ARG 393 CO -0.15 0.41 0.00 -2.13 -1.07 0.00 0.00 179.97 177.03 2puw n ARG 394 N -4.82 2.95 -3.86 0.04 3.00 -0.84 -4.96 116.66 108.16 2puw n ARG 394 Ca 0.09 -1.72 -0.28 0.00 -0.00 0.00 0.00 57.85 55.93 2puw n ARG 394 Cb 0.20 -1.81 -0.03 0.00 0.00 0.00 0.00 32.46 30.82 2puw n ARG 394 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2puw h ARG 396 N 2.47 -0.61 -3.41 0.00 2.43 -1.88 -3.47 114.38 109.91 2puw h ARG 396 Ca -0.47 0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 58.70 2puw h ARG 396 Cb 1.18 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.81 2puw h ARG 396 CO 0.71 -0.40 0.04 -0.98 -1.51 0.00 0.00 179.97 177.83 2puw s ARG 397 N -5.03 1.79 -0.15 0.20 1.70 -1.26 -4.28 118.95 111.92 2puw s ARG 397 Ca -0.12 -1.28 0.00 0.00 -0.47 0.00 0.00 55.73 53.86 2puw s ARG 397 Cb 0.04 0.54 0.02 0.00 -0.57 0.00 0.00 34.95 34.98 2puw s ARG 397 CO 0.44 -0.79 -0.14 0.42 -1.08 0.00 0.00 175.30 174.15 2puw s ILE 398 N -3.55 1.60 -0.26 4.99 1.01 0.13 -2.32 121.20 122.80 2puw s ILE 398 Ca 0.19 -0.67 -0.11 0.00 0.00 0.00 0.00 60.65 60.06 2puw s ILE 398 Cb -0.03 -1.51 -0.05 0.00 0.01 0.00 0.00 42.46 40.88 2puw s ILE 398 CO 0.10 0.45 0.20 -0.63 0.00 0.00 0.00 174.94 175.06 2puw s ILE 399 N 1.47 5.31 -0.18 2.92 1.09 -0.62 0.31 121.20 131.51 2puw s ILE 399 Ca 0.05 0.21 -0.15 0.00 -1.10 0.00 0.00 60.65 59.66 2puw s ILE 399 Cb -0.13 -3.54 -0.04 0.00 -1.06 0.00 0.00 42.46 37.69 2puw s ILE 399 CO -0.11 0.27 0.34 -0.04 -0.10 0.00 0.00 174.94 175.31 2puw s MET 400 N 1.55 4.22 -0.12 2.79 -1.94 0.14 -1.35 119.30 124.58 2puw s MET 400 Ca 0.08 0.15 0.03 0.00 -1.71 0.00 0.00 55.69 54.24 2puw s MET 400 Cb -0.15 -3.48 0.00 0.00 2.01 0.00 0.00 34.83 33.21 2puw s MET 400 CO 0.09 0.10 -0.22 0.42 -0.01 0.00 0.00 175.02 175.40 2puw s ILE 401 N 0.88 2.13 0.34 2.53 1.09 -0.33 0.66 121.20 128.49 2puw s ILE 401 Ca 0.18 -0.98 -0.18 0.00 -1.10 0.00 0.00 60.65 58.57 2puw s ILE 401 Cb -0.14 -1.84 0.04 0.00 -1.06 0.00 0.00 42.46 39.47 2puw s ILE 401 CO 0.06 0.55 0.76 0.00 -0.10 0.00 0.00 174.94 176.21 2puw s ALA 402 N 0.58 -0.95 0.33 9.38 0.00 -1.04 -2.40 121.76 127.66 2puw s ALA 402 Ca -0.13 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.31 2puw s ALA 402 Cb -0.17 0.75 -0.05 0.00 0.00 0.00 0.00 23.12 23.66 2puw s ALA 402 CO 0.03 -1.01 0.09 0.00 0.00 0.00 0.00 175.76 174.88 2puw n GLY 404 N -0.68 0.00 0.28 0.00 0.00 -1.26 -0.53 105.19 102.99 2puw n GLY 404 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 2puw n GLY 404 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2puw h THR 405 N 0.00 1.25 -0.87 2.61 2.02 -1.98 -2.49 112.91 113.46 2puw h THR 405 Ca 0.00 -0.92 0.22 0.00 0.77 0.00 0.00 66.41 66.48 2puw h THR 405 Cb 0.00 0.72 -0.05 0.00 -1.74 0.00 0.00 68.15 67.08 2puw h THR 405 CO 0.00 0.34 0.60 0.28 0.37 0.00 0.00 175.52 177.11 2puw h SER 406 N 0.86 0.20 -0.24 4.18 0.02 -1.37 0.23 113.55 117.43 2puw h SER 406 Ca 0.18 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.08 2puw h SER 406 Cb 0.37 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 2puw h SER 406 CO 0.00 0.08 -0.10 0.22 -1.14 0.00 0.00 176.83 175.89 2puw h TYR 407 N 0.20 0.68 0.05 3.45 3.20 -0.33 -2.93 116.97 121.30 2puw h TYR 407 Ca 0.43 -0.11 -0.25 0.00 3.14 0.00 0.00 58.73 61.94 2puw h TYR 407 Cb 1.38 -0.18 0.01 0.00 1.54 0.00 0.00 36.73 39.48 2puw h TYR 407 CO -0.00 0.71 -1.07 0.45 -1.64 0.00 0.00 178.16 176.61 2puw h HIS 408 N 0.58 0.71 -0.91 -3.82 3.86 -0.60 -1.23 115.15 113.74 2puw h HIS 408 Ca 0.11 -0.42 0.05 0.00 -1.16 0.00 0.00 60.37 58.94 2puw h HIS 408 Cb 0.52 -0.07 -0.06 0.00 1.06 0.00 0.00 27.41 28.86 2puw h HIS 408 CO 0.02 1.27 0.59 0.66 0.86 0.00 0.00 177.93 181.33 2puw h SER 409 N 0.23 0.96 -0.67 2.45 4.64 -1.31 -0.04 113.55 119.81 2puw h SER 409 Ca -0.12 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.14 2puw h SER 409 Cb 1.73 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 63.59 2puw h SER 409 CO 0.19 0.64 0.18 0.00 -0.87 0.00 0.00 176.83 176.97 2puw h LEU 411 N 0.99 -0.43 -2.10 0.00 3.38 -0.40 -1.07 115.31 115.68 2puw h LEU 411 Ca 0.21 -0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.27 2puw h LEU 411 Cb 0.34 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2puw h LEU 411 CO -0.00 -0.28 0.28 0.00 0.09 0.00 0.00 178.44 178.52 2puw h ALA 412 N 0.08 2.09 0.00 1.53 0.00 -0.81 -1.82 119.26 120.33 2puw h ALA 412 Ca -0.05 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 2puw h ALA 412 Cb 0.41 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2puw h ALA 412 CO 0.09 -0.44 -1.86 0.25 0.00 0.00 0.00 179.25 177.29 2puw n THR 413 N -4.03 0.86 -0.32 0.00 -2.24 -0.96 -4.50 114.28 103.10 2puw n THR 413 Ca 0.05 -0.68 0.03 0.00 -2.27 0.00 0.00 64.05 61.18 2puw n THR 413 Cb 0.44 -0.41 0.11 0.00 -2.10 0.00 0.00 70.33 68.37 2puw n THR 413 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2puw h ARG 414 N 0.00 -0.01 -0.80 -0.78 2.43 -0.29 0.58 114.38 115.51 2puw h ARG 414 Ca -0.22 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.07 2puw h ARG 414 Cb 1.58 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 31.05 2puw h ARG 414 CO 0.02 -0.00 0.42 0.66 -1.51 0.00 0.00 179.97 179.56 2puw h SER 415 N -0.01 0.54 0.43 -3.80 4.64 -1.79 -3.11 113.55 110.45 2puw h SER 415 Ca 0.42 0.07 -0.31 0.00 -0.47 0.00 0.00 61.79 61.50 2puw h SER 415 Cb 0.65 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 2puw h SER 415 CO -0.92 0.27 -1.64 -0.29 -0.87 0.00 0.00 176.83 173.38 2puw h ILE 416 N 0.66 1.00 -0.10 0.95 6.09 -0.27 -2.68 117.51 123.15 2puw h ILE 416 Ca 0.41 -2.71 0.03 0.00 -1.37 0.00 0.00 64.86 61.23 2puw h ILE 416 Cb 0.50 2.62 -0.06 0.00 0.47 0.00 0.00 36.82 40.35 2puw h ILE 416 CO -0.31 0.76 -0.49 -0.26 -3.07 0.00 0.00 178.15 174.77 2puw h PHE 417 N 0.05 -1.45 -0.45 2.19 0.04 -0.74 -1.01 116.94 115.56 2puw h PHE 417 Ca -0.28 0.05 0.05 0.00 2.80 0.00 0.00 57.97 60.60 2puw h PHE 417 Cb 2.01 0.65 -0.08 0.00 2.20 0.00 0.00 35.95 40.72 2puw h PHE 417 CO 0.05 -0.53 -0.52 0.93 -0.60 0.00 0.00 178.31 177.64 2puw h GLU 418 N -0.57 -0.31 -0.68 1.51 5.08 -1.62 0.13 114.58 118.12 2puw h GLU 418 Ca 0.05 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.56 2puw h GLU 418 Cb 0.67 0.07 -0.13 0.00 0.50 0.00 0.00 28.75 29.86 2puw h GLU 418 CO -0.41 -0.21 -0.20 1.49 -1.00 0.00 0.00 179.01 178.69 2puw h GLU 419 N -0.32 -0.03 -0.08 2.33 4.81 -1.17 0.83 114.58 120.96 2puw h GLU 419 Ca 0.08 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.14 2puw h GLU 419 Cb 0.53 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.93 2puw h GLU 419 CO -0.60 -0.02 -0.63 -0.07 -0.73 0.00 0.00 179.01 176.97 2puw h LEU 420 N -0.03 0.69 0.00 1.64 3.38 -0.41 -3.38 115.31 117.21 2puw h LEU 420 Ca 0.32 -0.67 -0.29 0.00 0.09 0.00 0.00 57.88 57.33 2puw h LEU 420 Cb 0.52 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 2puw h LEU 420 CO -0.71 1.26 -2.16 0.35 0.09 0.00 0.00 178.44 177.27 2puw n THR 421 N -4.14 1.08 -1.13 0.22 -2.24 0.40 -4.66 114.28 103.81 2puw n THR 421 Ca -0.09 -0.71 -0.04 0.00 -2.27 0.00 0.00 64.05 60.94 2puw n THR 421 Cb 0.67 -0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 68.40 2puw n THR 421 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2puw n GLU 422 N -2.60 -1.62 -2.60 -0.78 1.02 0.29 -4.98 120.64 109.37 2puw n GLU 422 Ca -0.26 0.61 -0.41 0.00 -0.02 0.00 0.00 57.16 57.08 2puw n GLU 422 Cb 1.01 -4.90 -0.04 0.00 -0.02 0.00 0.00 31.44 27.48 2puw n GLU 422 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2puw s ILE 423 N -1.51 4.01 0.01 -3.67 -1.09 -1.26 -4.99 121.20 112.70 2puw s ILE 423 Ca 0.00 1.79 -0.35 0.00 -2.23 0.00 0.00 60.65 59.85 2puw s ILE 423 Cb 0.00 -4.14 -0.14 0.00 -1.58 0.00 0.00 42.46 36.60 2puw s ILE 423 CO 0.00 0.33 1.66 -2.65 -1.23 0.00 0.00 174.94 173.05 2puw n PRO 424 N 2.22 1.85 -4.38 2.79 -0.02 -1.26 -4.36 135.00 131.84 2puw n PRO 424 Ca 0.01 0.67 -0.32 0.00 -2.02 0.00 0.00 63.50 61.84 2puw n PRO 424 Cb 0.47 -2.43 -0.16 0.00 -0.02 0.00 0.00 33.50 31.35 2puw n PRO 424 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2puw s VAL 425 N 2.22 1.99 -0.09 -1.45 1.01 -1.26 -0.70 120.40 122.13 2puw s VAL 425 Ca 0.87 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.95 2puw s VAL 425 Cb -0.78 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 2puw s VAL 425 CO 0.48 0.53 -0.15 -0.94 0.00 0.00 0.00 175.10 175.02 2puw s SER 426 N 1.07 3.95 -0.14 3.32 1.04 0.15 -4.97 113.70 118.11 2puw s SER 426 Ca -0.01 -0.28 -0.07 0.00 0.48 0.00 0.00 55.95 56.07 2puw s SER 426 Cb -0.14 -1.23 -0.04 0.00 0.10 0.00 0.00 66.02 64.71 2puw s SER 426 CO -0.07 0.25 0.10 -0.69 0.98 0.00 0.00 173.24 173.81 2puw s VAL 427 N -0.16 5.15 0.06 5.02 1.01 -1.26 0.24 120.40 130.45 2puw s VAL 427 Ca -0.01 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.09 2puw s VAL 427 Cb -0.13 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 2puw s VAL 427 CO 0.03 0.55 -0.10 -1.61 0.00 0.00 0.00 175.10 173.97 2puw s GLU 428 N -0.43 0.64 -0.22 2.72 0.41 0.21 -4.89 118.70 117.14 2puw s GLU 428 Ca 0.11 -0.85 -0.19 0.00 -0.41 0.00 0.00 54.97 53.62 2puw s GLU 428 Cb -0.12 -0.47 -0.03 0.00 -1.78 0.00 0.00 34.13 31.73 2puw s GLU 428 CO 0.02 0.09 0.57 -1.17 -0.49 0.00 0.00 175.26 174.27 2puw s LEU 429 N -1.70 4.11 0.15 1.80 2.96 -1.26 -2.49 118.68 122.25 2puw s LEU 429 Ca -0.06 0.69 -0.30 0.00 -0.22 0.00 0.00 54.13 54.24 2puw s LEU 429 Cb -0.09 -2.77 -0.07 0.00 0.50 0.00 0.00 46.19 43.76 2puw s LEU 429 CO 0.01 -0.26 1.52 0.00 -1.32 0.00 0.00 176.35 176.30 2puw h ALA 430 N 7.65 -0.53 -0.25 5.97 0.00 -0.83 0.19 119.26 131.46 2puw h ALA 430 Ca -0.31 0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.76 2puw h ALA 430 Cb 1.14 1.36 -0.04 0.00 0.00 0.00 0.00 17.79 20.25 2puw h ALA 430 CO 0.75 -0.93 0.00 0.66 0.00 0.00 0.00 179.25 179.72 2puw h SER 431 N -0.01 -0.10 0.51 0.00 4.64 -1.85 -2.94 113.55 113.80 2puw h SER 431 Ca 0.15 0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.50 2puw h SER 431 Cb 0.40 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2puw h SER 431 CO -0.90 -0.02 -0.24 -0.78 -0.87 0.00 0.00 176.83 174.02 2puw h ASP 432 N 0.08 -0.58 -0.77 4.97 3.58 -1.71 -2.96 116.42 119.03 2puw h ASP 432 Ca 0.12 -0.04 0.21 0.00 0.42 0.00 0.00 57.03 57.73 2puw h ASP 432 Cb 0.15 0.15 -0.14 0.00 1.72 0.00 0.00 39.33 41.21 2puw h ASP 432 CO -0.20 -0.17 -0.01 0.33 -2.88 0.00 0.00 179.24 176.31 2puw n PHE 433 N -5.24 0.47 0.07 0.28 7.35 0.59 0.04 117.46 121.02 2puw n PHE 433 Ca -0.10 0.93 -0.13 0.00 -0.76 0.00 0.00 57.45 57.40 2puw n PHE 433 Cb 0.30 -1.07 -0.07 0.00 0.35 0.00 0.00 39.48 38.99 2puw n PHE 433 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2puw h LEU 434 N 0.00 -0.09 -1.92 -2.13 3.38 -1.42 -2.69 115.31 110.45 2puw h LEU 434 Ca 0.46 -0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.52 2puw h LEU 434 Cb 0.92 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 2puw h LEU 434 CO -0.73 -0.04 0.32 0.44 0.09 0.00 0.00 178.44 178.52 2puw h ASP 435 N -0.13 0.08 1.17 -0.43 3.32 -0.23 -1.46 116.42 118.75 2puw h ASP 435 Ca -0.01 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 2puw h ASP 435 Cb 0.10 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 2puw h ASP 435 CO 0.02 0.05 -0.56 0.03 -1.72 0.00 0.00 179.24 177.05 2puw h ARG 436 N 0.09 0.00 -5.75 3.56 3.08 -1.06 -3.48 114.38 110.83 2puw h ARG 436 Ca 0.22 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.93 2puw h ARG 436 Cb 0.74 0.00 0.14 0.00 0.08 0.00 0.00 29.97 30.94 2puw h ARG 436 CO -0.02 0.56 -0.83 0.54 -1.07 0.00 0.00 179.97 179.15 2puw n ARG 437 N -3.36 -4.37 -1.92 0.04 1.74 -0.55 -4.94 116.66 103.30 2puw n ARG 437 Ca 0.01 0.76 -0.42 0.00 -0.77 0.00 0.00 57.85 57.44 2puw n ARG 437 Cb 0.70 -5.53 -0.02 0.00 -1.02 0.00 0.00 32.46 26.59 2puw n ARG 437 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 2puw s SER 438 N -3.98 6.54 0.08 0.55 0.01 -1.25 -4.94 113.70 110.71 2puw s SER 438 Ca 0.19 2.76 -0.31 0.00 1.31 0.00 0.00 55.95 59.89 2puw s SER 438 Cb -0.03 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.51 2puw s SER 438 CO 0.76 -0.80 1.26 -2.84 0.41 0.00 0.00 173.24 172.03 2puw s PRO 439 N -0.12 4.40 0.07 12.44 0.02 -1.26 -5.01 135.00 145.53 2puw s PRO 439 Ca 0.63 1.86 0.05 0.00 0.02 0.00 0.00 61.00 63.56 2puw s PRO 439 Cb -0.44 -3.32 -0.03 0.00 0.02 0.00 0.00 34.50 30.73 2puw s PRO 439 CO 0.42 -0.31 -0.14 0.08 -0.33 0.00 0.00 177.00 176.72 2puw s VAL 440 N 1.07 1.10 0.32 3.83 1.01 -1.26 -5.15 120.40 121.31 2puw s VAL 440 Ca 0.60 -1.29 0.03 0.00 0.00 0.00 0.00 61.98 61.33 2puw s VAL 440 Cb -0.32 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 2puw s VAL 440 CO 0.30 -0.22 0.15 -0.36 0.00 0.00 0.00 175.10 174.96 2puw s PHE 441 N -1.26 1.66 0.15 5.22 0.08 -1.26 -4.80 117.98 117.76 2puw s PHE 441 Ca -0.02 -1.32 -0.17 0.00 0.12 0.00 0.00 56.93 55.54 2puw s PHE 441 Cb -0.10 -0.94 0.03 0.00 -0.57 0.00 0.00 43.02 41.44 2puw s PHE 441 CO 0.02 -0.45 1.77 -0.09 -0.10 0.00 0.00 175.22 176.38 2puw h ARG 442 N 2.14 0.32 0.00 0.44 2.43 -1.76 -1.99 114.38 115.96 2puw h ARG 442 Ca -0.34 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.81 2puw h ARG 442 Cb 1.25 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.73 2puw h ARG 442 CO 0.54 0.21 -0.00 -0.44 -1.51 0.00 0.00 179.97 178.77 2puw h ASP 443 N 0.33 0.00 -4.05 -3.80 3.32 -1.97 -3.35 116.42 106.90 2puw h ASP 443 Ca 0.14 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.68 2puw h ASP 443 Cb 0.06 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.70 2puw h ASP 443 CO -0.10 0.00 0.48 -1.81 -1.72 0.00 0.00 179.24 176.09 2puw s ASP 444 N -5.48 5.71 -0.12 6.45 1.01 -0.75 -3.02 116.67 120.47 2puw s ASP 444 Ca -0.05 2.33 0.00 0.00 0.71 0.00 0.00 52.55 55.55 2puw s ASP 444 Cb 0.14 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.49 2puw s ASP 444 CO 0.46 -1.23 -0.10 -0.89 0.21 0.00 0.00 175.17 173.61 2puw s THR 445 N -1.60 1.18 -0.36 -1.27 2.01 -0.98 -1.90 115.64 112.72 2puw s THR 445 Ca 0.70 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 62.33 2puw s THR 445 Cb -0.29 -1.15 0.10 0.00 0.01 0.00 0.00 72.50 71.17 2puw s THR 445 CO 0.33 0.39 0.09 0.00 -0.69 0.00 0.00 174.62 174.74 2puw s VAL 447 N 0.93 4.40 -0.24 0.00 1.01 -0.46 -0.76 120.40 125.28 2puw s VAL 447 Ca 0.11 1.70 -0.09 0.00 0.00 0.00 0.00 61.98 63.69 2puw s VAL 447 Cb -0.20 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 2puw s VAL 447 CO -0.07 -0.15 0.12 -0.36 0.00 0.00 0.00 175.10 174.65 2puw s PHE 448 N 3.38 3.22 -0.22 5.22 0.40 0.25 -1.19 117.98 129.04 2puw s PHE 448 Ca 0.51 0.01 -0.04 0.00 -0.60 0.00 0.00 56.93 56.81 2puw s PHE 448 Cb -0.20 -2.24 -0.01 0.00 0.51 0.00 0.00 43.02 41.08 2puw s PHE 448 CO 0.12 -0.07 -0.04 0.08 0.70 0.00 0.00 175.22 176.01 2puw s VAL 449 N 1.20 3.39 0.00 -0.44 1.01 -1.01 -0.44 120.40 124.12 2puw s VAL 449 Ca 0.06 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.56 2puw s VAL 449 Cb -0.14 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.69 2puw s VAL 449 CO 0.05 0.42 -0.02 -0.55 0.00 0.00 0.00 175.10 175.00 2puw s SER 450 N 1.44 0.26 -0.08 3.32 0.15 0.76 -4.57 113.70 114.97 2puw s SER 450 Ca 0.05 -0.10 -0.25 0.00 0.70 0.00 0.00 55.95 56.35 2puw s SER 450 Cb -0.14 -0.01 -0.21 0.00 -1.71 0.00 0.00 66.02 63.94 2puw s SER 450 CO -0.03 -0.01 0.93 -0.61 1.20 0.00 0.00 173.24 174.71 2puw h GLN 451 N 5.90 -0.04 0.03 5.44 -0.00 -1.94 -2.81 115.11 121.70 2puw h GLN 451 Ca -0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.39 2puw h GLN 451 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.69 2puw h GLN 451 CO 0.49 0.65 -0.01 0.66 0.00 0.00 0.00 178.83 180.62 2puw h SER 452 N -0.80 -0.03 0.00 -0.69 4.64 -1.95 -1.68 113.55 113.04 2puw h SER 452 Ca -0.00 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.64 2puw h SER 452 Cb 0.70 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2puw h SER 452 CO 0.01 0.76 0.00 0.61 -0.87 0.00 0.00 176.83 177.34 2puw n GLY 453 N 1.33 0.49 0.17 -0.77 0.00 -1.26 -4.35 105.19 100.79 2puw n GLY 453 Ca -0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.99 2puw n GLY 453 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2puw n GLU 454 N -2.00 2.30 -1.90 1.61 -0.58 -1.26 -2.33 120.64 116.48 2puw n GLU 454 Ca 0.00 -2.10 -0.42 0.00 -0.42 0.00 0.00 57.16 54.22 2puw n GLU 454 Cb 0.00 -1.30 -0.03 0.00 -0.57 0.00 0.00 31.44 29.54 2puw n GLU 454 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 2puw s THR 455 N -1.91 2.85 0.13 2.62 2.01 -1.26 -4.90 115.64 115.17 2puw s THR 455 Ca 0.19 0.41 -0.20 0.00 0.31 0.00 0.00 61.69 62.39 2puw s THR 455 Cb 0.15 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 2puw s THR 455 CO 0.03 0.01 1.70 0.00 -0.69 0.00 0.00 174.62 175.67 2puw h ALA 456 N 7.95 0.09 -0.19 7.40 0.00 -2.00 -2.26 119.26 130.25 2puw h ALA 456 Ca -0.43 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 2puw h ALA 456 Cb 1.20 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2puw h ALA 456 CO 0.93 -0.50 -0.59 -0.44 0.00 0.00 0.00 179.25 178.65 2puw h ASP 457 N -0.04 0.68 -0.99 0.00 5.19 -1.96 -2.30 116.42 117.01 2puw h ASP 457 Ca 0.09 -0.38 0.16 0.00 -0.62 0.00 0.00 57.03 56.28 2puw h ASP 457 Cb 0.18 -0.20 -0.10 0.00 0.18 0.00 0.00 39.33 39.40 2puw h ASP 457 CO -0.21 1.12 0.61 0.28 -3.12 0.00 0.00 179.24 177.91 2puw h SER 458 N 0.46 0.82 0.07 6.45 0.02 -1.82 -2.70 113.55 116.85 2puw h SER 458 Ca 0.00 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2puw h SER 458 Cb 1.15 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2puw h SER 458 CO 0.11 0.36 -0.03 0.40 -1.14 0.00 0.00 176.83 176.53 2puw h ILE 459 N 0.85 1.23 -0.65 3.27 1.08 -0.86 -1.51 117.51 120.91 2puw h ILE 459 Ca 0.54 -1.15 0.13 0.00 -0.39 0.00 0.00 64.86 63.99 2puw h ILE 459 Cb 0.72 1.96 -0.04 0.00 -3.07 0.00 0.00 36.82 36.39 2puw h ILE 459 CO -0.34 0.28 0.44 -0.07 -0.69 0.00 0.00 178.15 177.77 2puw h LEU 460 N -0.62 0.29 -0.30 1.44 3.38 -1.33 0.47 115.31 118.63 2puw h LEU 460 Ca -0.01 0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 2puw h LEU 460 Cb 0.53 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2puw h LEU 460 CO 0.02 0.16 -0.50 0.00 0.09 0.00 0.00 178.44 178.21 2puw h ALA 461 N 1.68 0.47 -0.38 1.53 0.00 -1.40 0.24 119.26 121.41 2puw h ALA 461 Ca 0.31 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2puw h ALA 461 Cb 0.79 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2puw h ALA 461 CO -0.08 0.65 -0.08 1.25 0.00 0.00 0.00 179.25 180.99 2puw h LEU 462 N 0.66 0.62 0.14 0.00 5.85 0.66 1.00 115.31 124.24 2puw h LEU 462 Ca 0.02 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2puw h LEU 462 Cb 1.10 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.97 2puw h LEU 462 CO 0.11 0.74 -0.07 1.56 -0.34 0.00 0.00 178.44 180.45 2puw h GLN 463 N 0.59 -0.19 -0.69 1.25 4.20 -0.18 -1.06 115.11 119.03 2puw h GLN 463 Ca 0.11 0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.96 2puw h GLN 463 Cb 0.49 0.04 -0.13 0.00 0.30 0.00 0.00 27.48 28.19 2puw h GLN 463 CO 0.03 0.25 -0.30 -0.92 -0.67 0.00 0.00 178.83 177.21 2puw h TYR 464 N -0.73 -0.81 -0.11 2.96 5.03 -0.36 1.41 116.97 124.37 2puw h TYR 464 Ca -0.02 0.08 -0.07 0.00 2.58 0.00 0.00 58.73 61.29 2puw h TYR 464 Cb 0.52 0.46 -0.01 0.00 1.55 0.00 0.00 36.73 39.25 2puw h TYR 464 CO 0.08 -0.37 -0.27 0.00 -1.32 0.00 0.00 178.16 176.28 2puw h LEU 466 N 0.18 0.11 -1.22 0.00 3.38 0.60 -2.55 115.31 115.81 2puw h LEU 466 Ca 0.03 -0.60 0.30 0.00 0.09 0.00 0.00 57.88 57.70 2puw h LEU 466 Cb 0.57 -0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.17 2puw h LEU 466 CO 0.04 0.68 0.66 -0.33 0.09 0.00 0.00 178.44 179.59 2puw h GLU 467 N -0.46 0.35 -0.63 1.13 5.08 0.20 -2.00 114.58 118.26 2puw h GLU 467 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2puw h GLU 467 Cb 0.67 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2puw h GLU 467 CO 0.01 0.23 0.00 0.54 -1.00 0.00 0.00 179.01 178.80 2puw n ARG 468 N -4.78 3.11 0.00 2.33 1.74 -0.95 -4.97 116.66 113.15 2puw n ARG 468 Ca 0.29 -2.31 0.00 0.00 -0.77 0.00 0.00 57.85 55.06 2puw n ARG 468 Cb 0.97 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 2puw n ARG 468 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2puw n GLY 469 N 1.06 1.28 3.76 -0.13 0.00 -0.75 -4.35 105.19 106.05 2puw n GLY 469 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 2puw n GLY 469 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2puw s ALA 470 N -2.32 2.46 0.12 4.61 0.00 -0.97 -4.27 121.76 121.40 2puw s ALA 470 Ca 0.00 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 52.47 2puw s ALA 470 Cb 0.00 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.66 2puw s ALA 470 CO 0.00 -1.28 1.13 -1.17 0.00 0.00 0.00 175.76 174.44 2puw s LEU 471 N -4.48 4.43 -0.12 0.00 2.96 -0.80 -4.67 118.68 116.00 2puw s LEU 471 Ca 0.73 2.03 0.03 0.00 -0.22 0.00 0.00 54.13 56.70 2puw s LEU 471 Cb -0.26 -3.59 -0.00 0.00 0.50 0.00 0.00 46.19 42.84 2puw s LEU 471 CO 0.37 -0.32 -0.21 0.42 -1.32 0.00 0.00 176.35 175.29 2puw s THR 472 N 0.34 2.28 -0.03 3.68 -4.23 -1.26 -1.27 115.64 115.15 2puw s THR 472 Ca 0.53 -0.93 0.06 0.00 -1.18 0.00 0.00 61.69 60.17 2puw s THR 472 Cb -0.29 -1.91 -0.02 0.00 1.34 0.00 0.00 72.50 71.62 2puw s THR 472 CO 0.32 0.55 -0.21 -0.69 -0.54 0.00 0.00 174.62 174.05 2puw s VAL 473 N 0.49 2.47 -0.31 2.29 1.01 0.06 -1.54 120.40 124.86 2puw s VAL 473 Ca -0.14 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 60.90 2puw s VAL 473 Cb -0.17 -1.91 0.08 0.00 0.00 0.00 0.00 36.38 34.38 2puw s VAL 473 CO 0.05 0.58 0.00 -0.83 0.00 0.00 0.00 175.10 174.91 2puw s GLY 474 N -0.68 1.81 -0.57 4.51 0.00 0.05 0.84 107.32 113.28 2puw s GLY 474 Ca 0.11 -2.12 -0.17 0.00 0.00 0.00 0.00 44.72 42.54 2puw s GLY 474 CO -0.00 0.79 0.58 -0.42 0.00 0.00 0.00 173.10 174.04 2puw s ILE 475 N 1.07 5.10 0.19 0.90 -1.09 0.42 -0.63 121.20 127.16 2puw s ILE 475 Ca 0.00 -1.38 0.07 0.00 -2.23 0.00 0.00 60.65 57.11 2puw s ILE 475 Cb -0.20 -4.40 -0.05 0.00 -1.58 0.00 0.00 42.46 36.24 2puw s ILE 475 CO -0.05 -0.96 -0.12 -0.69 -1.23 0.00 0.00 174.94 171.88 2puw s VAL 476 N 1.89 1.55 -0.20 2.92 1.01 0.40 -0.17 120.40 127.80 2puw s VAL 476 Ca 0.06 -2.16 -0.17 0.00 0.00 0.00 0.00 61.98 59.71 2puw s VAL 476 Cb -0.27 -2.02 -0.13 0.00 0.00 0.00 0.00 36.38 33.96 2puw s VAL 476 CO 0.03 -0.62 -0.00 -3.20 0.00 0.00 0.00 175.10 171.31 2puw n ASN 477 N -0.34 1.86 -4.59 3.32 2.85 -0.93 -0.38 115.26 117.05 2puw n ASN 477 Ca -0.08 0.46 -0.42 0.00 -0.11 0.00 0.00 54.58 54.43 2puw n ASN 477 Cb 0.61 -0.91 0.00 0.00 1.24 0.00 0.00 39.78 40.72 2puw n ASN 477 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2puw n SER 478 N -4.46 0.99 -4.72 1.20 7.64 -0.68 -4.49 113.62 109.11 2puw n SER 478 Ca -0.27 1.05 -0.38 0.00 1.01 0.00 0.00 58.87 60.27 2puw n SER 478 Cb 0.59 -1.31 -0.06 0.00 -1.01 0.00 0.00 64.21 62.42 2puw n SER 478 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2puw s VAL 479 N -1.25 5.15 0.00 0.44 -7.23 -1.26 -4.36 120.40 111.88 2puw s VAL 479 Ca 0.62 1.09 0.00 0.00 -1.81 0.00 0.00 61.98 61.88 2puw s VAL 479 Cb -0.60 -3.88 0.00 0.00 0.56 0.00 0.00 36.38 32.46 2puw s VAL 479 CO 0.58 0.30 0.00 0.61 -0.31 0.00 0.00 175.10 176.27 2puw n GLY 480 N 3.25 2.85 1.15 2.32 0.00 -1.26 -4.98 105.19 108.51 2puw n GLY 480 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 2puw n GLY 480 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2puw n SER 481 N 0.00 -0.29 -0.28 1.61 3.41 -1.26 -4.77 113.62 112.04 2puw n SER 481 Ca 0.00 0.38 0.09 0.00 -0.26 0.00 0.00 58.87 59.08 2puw n SER 481 Cb 0.00 -0.31 0.22 0.00 -0.26 0.00 0.00 64.21 63.86 2puw n SER 481 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2puw h SER 482 N 0.54 -0.18 0.00 4.04 0.02 -1.90 -2.41 113.55 113.66 2puw h SER 482 Ca -0.12 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2puw h SER 482 Cb 0.48 0.31 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2puw h SER 482 CO 0.20 -0.17 0.00 0.80 -1.14 0.00 0.00 176.83 176.52 2puw n MET 483 N -5.29 0.00 0.18 3.45 0.00 -0.98 -2.66 117.12 111.82 2puw n MET 483 Ca 0.17 0.73 0.18 0.00 0.00 0.00 0.00 57.70 58.78 2puw n MET 483 Cb 0.58 -1.38 0.70 0.00 0.00 0.00 0.00 33.22 33.11 2puw n MET 483 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2puw h SER 484 N 0.00 0.00 0.19 6.12 4.64 -1.73 0.36 113.55 123.13 2puw h SER 484 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2puw h SER 484 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2puw h SER 484 CO 0.00 0.00 -0.09 0.03 -0.87 0.00 0.00 176.83 175.90 2puw h ARG 485 N 0.00 -0.24 0.00 4.77 3.08 -1.45 -3.38 114.38 117.16 2puw h ARG 485 Ca 0.13 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2puw h ARG 485 Cb 1.12 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2puw h ARG 485 CO -0.00 -0.16 0.00 1.96 -1.07 0.00 0.00 179.97 180.70 2puw h GLN 486 N -0.32 0.00 -6.93 0.04 4.20 -0.18 -3.45 115.11 108.48 2puw h GLN 486 Ca -0.03 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.16 2puw h GLN 486 Cb 0.19 0.00 0.07 0.00 0.30 0.00 0.00 27.48 28.05 2puw h GLN 486 CO 0.04 0.00 0.61 0.95 -0.67 0.00 0.00 178.83 179.76 2puw s THR 487 N -3.36 2.71 0.17 -0.54 -4.23 -0.29 -4.93 115.64 105.18 2puw s THR 487 Ca 0.05 0.66 -0.15 0.00 -1.18 0.00 0.00 61.69 61.07 2puw s THR 487 Cb 0.08 -3.39 0.07 0.00 1.34 0.00 0.00 72.50 70.60 2puw s THR 487 CO 0.57 0.11 1.72 0.45 -0.54 0.00 0.00 174.62 176.92 2puw h HIS 488 N 2.89 0.09 -1.51 3.99 3.86 -1.59 -3.46 115.15 119.42 2puw h HIS 488 Ca -0.49 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 2puw h HIS 488 Cb 1.24 0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.73 2puw h HIS 488 CO 0.54 -0.02 0.00 0.00 0.86 0.00 0.00 177.93 179.31 2puw n GLY 490 N 0.00 -0.43 3.21 0.00 0.00 -1.26 -0.77 105.19 105.94 2puw n GLY 490 Ca 0.00 -1.65 -0.17 0.00 0.00 0.00 0.00 46.02 44.21 2puw n GLY 490 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2puw s VAL 491 N -1.89 1.16 -0.34 1.61 1.01 0.19 -4.20 120.40 117.94 2puw s VAL 491 Ca 0.00 -1.60 -0.09 0.00 0.00 0.00 0.00 61.98 60.28 2puw s VAL 491 Cb 0.00 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 35.02 2puw s VAL 491 CO 0.00 -0.42 0.16 -1.00 0.00 0.00 0.00 175.10 173.84 2puw s HIS 492 N -2.05 3.21 0.37 5.22 0.09 -1.24 -0.45 115.29 120.43 2puw s HIS 492 Ca 0.05 -0.87 0.18 0.00 -0.00 0.00 0.00 55.06 54.42 2puw s HIS 492 Cb -0.05 -2.37 1.15 0.00 -0.00 0.00 0.00 32.58 31.31 2puw s HIS 492 CO 0.02 -0.58 1.68 -0.84 -0.00 0.00 0.00 174.74 175.02 2puw h ILE 493 N 5.83 0.32 -5.31 0.60 3.07 -1.01 -3.45 117.51 117.55 2puw h ILE 493 Ca -0.28 -0.10 -0.11 0.00 1.55 0.00 0.00 64.86 65.91 2puw h ILE 493 Cb 1.12 -0.01 0.09 0.00 -0.27 0.00 0.00 36.82 37.75 2puw h ILE 493 CO 0.63 0.06 -0.38 -3.20 -1.05 0.00 0.00 178.15 174.20 2puw n ASN 494 N -4.88 -7.06 -0.00 2.16 2.85 -1.26 -4.15 115.26 102.90 2puw n ASN 494 Ca 0.31 -0.35 0.02 0.00 -0.11 0.00 0.00 54.58 54.45 2puw n ASN 494 Cb 1.04 -5.09 -0.03 0.00 1.24 0.00 0.00 39.78 36.94 2puw n ASN 494 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2puw n ALA 495 N -2.40 2.31 0.00 5.20 0.00 -1.26 -4.04 120.51 120.31 2puw n ALA 495 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2puw n ALA 495 Cb 0.55 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.86 2puw n ALA 495 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2puw n GLY 496 N 1.79 0.48 3.55 0.00 0.00 -1.26 -4.56 105.19 105.18 2puw n GLY 496 Ca -0.00 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 2puw n GLY 496 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2puw s PRO 497 N -0.62 3.57 -0.37 1.61 0.05 -1.26 -4.85 135.00 133.13 2puw s PRO 497 Ca 0.00 -0.24 -0.24 0.00 0.05 0.00 0.00 61.00 60.56 2puw s PRO 497 Cb 0.00 -3.82 0.01 0.00 0.05 0.00 0.00 34.50 30.74 2puw s PRO 497 CO 0.00 -0.65 0.86 -2.00 0.05 0.00 0.00 177.00 175.25 2puw s GLU 498 N 2.34 3.77 -0.01 4.56 2.12 -1.26 -4.92 118.70 125.30 2puw s GLU 498 Ca 0.17 0.41 0.18 0.00 0.36 0.00 0.00 54.97 56.09 2puw s GLU 498 Cb -0.16 -3.82 -0.22 0.00 0.26 0.00 0.00 34.13 30.20 2puw s GLU 498 CO 0.13 -0.93 0.65 0.44 -0.54 0.00 0.00 175.26 175.01 2puw n ILE 499 N 5.92 0.00 -1.94 -3.70 -5.35 -1.26 -4.96 119.36 108.07 2puw n ILE 499 Ca 0.05 -0.18 -0.32 0.00 -0.27 0.00 0.00 62.75 62.03 2puw n ILE 499 Cb 0.48 0.73 0.02 0.00 -1.74 0.00 0.00 39.64 39.13 2puw n ILE 499 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2puw s GLY 500 N -3.08 2.03 0.00 3.28 0.00 -1.26 -4.80 107.32 103.48 2puw s GLY 500 Ca 0.03 0.33 0.18 0.00 0.00 0.00 0.00 44.72 45.26 2puw s GLY 500 CO 0.73 0.64 1.58 1.55 0.00 0.00 0.00 173.10 177.60 2puw n VAL 501 N -2.26 0.60 -3.94 1.40 3.14 -1.24 -4.79 118.33 111.25 2puw n VAL 501 Ca 0.08 0.15 -0.09 0.00 -2.96 0.00 0.00 64.34 61.52 2puw n VAL 501 Cb 0.53 -0.84 -0.07 0.00 -1.06 0.00 0.00 33.84 32.40 2puw n VAL 501 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2puw s ALA 502 N -2.80 -0.00 -0.82 1.55 0.00 -1.26 -5.08 121.76 113.34 2puw s ALA 502 Ca 0.13 -0.84 -0.25 0.00 0.00 0.00 0.00 51.96 50.99 2puw s ALA 502 Cb 0.12 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.99 2puw s ALA 502 CO 0.31 -0.58 1.48 0.45 0.00 0.00 0.00 175.76 177.42 2puw s SER 503 N -2.94 6.03 0.00 0.00 0.15 -1.26 -4.86 113.70 110.83 2puw s SER 503 Ca 0.13 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 56.12 2puw s SER 503 Cb 0.04 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2puw s SER 503 CO -0.04 -1.91 0.00 0.35 1.20 0.00 0.00 173.24 172.84 2puw n THR 504 N 6.81 0.00 -0.32 6.45 -2.24 -1.26 -4.19 114.28 119.52 2puw n THR 504 Ca 0.18 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 62.16 2puw n THR 504 Cb 0.50 -0.38 0.45 0.00 -2.10 0.00 0.00 70.33 68.80 2puw n THR 504 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 2puw h LYS 505 N 0.00 0.49 -0.01 -0.78 2.10 -1.89 -2.59 116.57 113.89 2puw h LYS 505 Ca 0.00 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2puw h LYS 505 Cb 0.00 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 31.22 2puw h LYS 505 CO 0.00 0.33 0.01 0.00 -2.00 0.00 0.00 179.45 177.78 2puw h ALA 506 N 1.64 0.02 -0.06 0.07 0.00 -1.94 -0.98 119.26 118.01 2puw h ALA 506 Ca 0.58 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.42 2puw h ALA 506 Cb 1.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2puw h ALA 506 CO -0.32 -0.41 -0.04 -0.92 0.00 0.00 0.00 179.25 177.56 2puw h TYR 507 N -0.12 -0.13 -0.83 0.00 3.20 -1.63 0.56 116.97 118.03 2puw h TYR 507 Ca 0.00 0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.05 2puw h TYR 507 Cb 0.14 0.06 -0.10 0.00 1.54 0.00 0.00 36.73 38.37 2puw h TYR 507 CO -0.03 -0.03 0.38 1.79 -1.64 0.00 0.00 178.16 178.63 2puw h THR 508 N -0.01 0.63 0.07 1.81 1.35 -1.50 0.18 112.91 115.44 2puw h THR 508 Ca 0.01 -0.17 -0.00 0.00 -0.55 0.00 0.00 66.41 65.69 2puw h THR 508 Cb 0.03 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 66.54 2puw h THR 508 CO -0.06 0.09 -0.03 0.28 -0.25 0.00 0.00 175.52 175.55 2puw h SER 509 N 0.50 -0.08 -0.35 5.36 0.02 -0.64 0.12 113.55 118.48 2puw h SER 509 Ca 0.47 -0.24 0.04 0.00 -0.84 0.00 0.00 61.79 61.23 2puw h SER 509 Cb 0.76 0.02 -0.07 0.00 0.14 0.00 0.00 62.40 63.25 2puw h SER 509 CO -0.42 0.20 -0.46 1.56 -1.14 0.00 0.00 176.83 176.56 2puw h GLN 510 N -0.36 -0.30 0.00 3.45 4.20 0.14 0.79 115.11 123.03 2puw h GLN 510 Ca -0.01 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2puw h GLN 510 Cb 0.31 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2puw h GLN 510 CO 0.02 -0.20 0.00 0.98 -0.67 0.00 0.00 178.83 178.95 2puw n TYR 511 N -4.89 0.00 -0.34 2.96 4.19 0.50 0.64 117.16 120.23 2puw n TYR 511 Ca -0.03 0.00 0.07 0.00 3.31 0.00 0.00 57.90 61.25 2puw n TYR 511 Cb 0.28 -0.13 0.16 0.00 0.49 0.00 0.00 39.34 40.13 2puw n TYR 511 CO 0.00 0.00 0.00 -0.89 0.91 0.00 0.00 176.86 176.88 2puw n ILE 512 N -1.54 -0.39 0.01 2.97 5.41 0.40 -0.00 119.36 126.21 2puw n ILE 512 Ca 0.00 2.14 -0.02 0.00 1.00 0.00 0.00 62.75 65.87 2puw n ILE 512 Cb 0.00 -2.99 -0.01 0.00 -0.71 0.00 0.00 39.64 35.93 2puw n ILE 512 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2puw h ALA 513 N 1.88 -0.61 -1.10 -1.39 0.00 0.40 -0.60 119.26 117.85 2puw h ALA 513 Ca 0.47 -0.01 0.38 0.00 0.00 0.00 0.00 54.91 55.76 2puw h ALA 513 Cb 0.77 0.48 -0.15 0.00 0.00 0.00 0.00 17.79 18.89 2puw h ALA 513 CO -0.95 -0.62 0.65 -0.07 0.00 0.00 0.00 179.25 178.25 2puw h LEU 514 N -0.07 0.37 -0.20 0.00 3.38 0.40 0.35 115.31 119.54 2puw h LEU 514 Ca -0.00 0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 2puw h LEU 514 Cb 0.07 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2puw h LEU 514 CO -0.03 -0.24 -0.07 0.58 0.09 0.00 0.00 178.44 178.78 2puw h VAL 515 N 0.15 1.29 0.00 1.22 2.07 -0.05 0.28 116.25 121.21 2puw h VAL 515 Ca 0.79 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 2puw h VAL 515 Cb 2.12 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 33.48 2puw h VAL 515 CO -0.59 0.33 -0.12 0.24 0.02 0.00 0.00 177.57 177.44 2puw h MET 516 N 0.11 0.00 0.09 1.57 2.86 0.10 0.50 114.93 120.17 2puw h MET 516 Ca 0.05 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2puw h MET 516 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2puw h MET 516 CO 0.02 0.12 -0.04 0.35 1.06 0.00 0.00 176.91 178.42 2puw h PHE 517 N 0.00 -0.12 -0.23 -0.22 3.57 0.24 -0.52 116.94 119.66 2puw h PHE 517 Ca -0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 2puw h PHE 517 Cb 0.26 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2puw h PHE 517 CO 0.00 0.11 0.05 0.00 -2.23 0.00 0.00 178.31 176.25 2puw h ALA 518 N 0.55 1.66 -0.01 2.41 0.00 0.13 -2.57 119.26 121.44 2puw h ALA 518 Ca -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2puw h ALA 518 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2puw h ALA 518 CO 0.02 0.26 -0.02 -0.07 0.00 0.00 0.00 179.25 179.45 2puw h LEU 519 N 0.33 0.03 -0.78 0.00 3.38 0.13 -3.14 115.31 115.25 2puw h LEU 519 Ca 0.08 -0.60 0.14 0.00 0.09 0.00 0.00 57.88 57.60 2puw h LEU 519 Cb 0.14 -0.01 -0.14 0.00 0.09 0.00 0.00 40.66 40.73 2puw h LEU 519 CO -0.00 0.62 -0.28 0.28 0.09 0.00 0.00 178.44 179.15 2puw h SER 520 N -0.56 -1.00 0.03 -0.43 0.02 -0.80 -0.21 113.55 110.60 2puw h SER 520 Ca -0.00 0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 61.16 2puw h SER 520 Cb 0.62 0.57 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 2puw h SER 520 CO 0.00 -0.28 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.24 2puw h LEU 521 N -0.05 0.16 -3.20 5.07 3.38 -1.51 -2.78 115.31 116.37 2puw h LEU 521 Ca 0.34 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2puw h LEU 521 Cb 0.58 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2puw h LEU 521 CO -0.82 0.29 0.00 -1.54 0.09 0.00 0.00 178.44 176.45 2puw n SER 522 N -4.33 4.58 0.29 -0.43 3.41 -0.18 -4.53 113.62 112.44 2puw n SER 522 Ca -0.01 -2.58 0.18 0.00 -0.26 0.00 0.00 58.87 56.20 2puw n SER 522 Cb 0.23 -0.55 0.83 0.00 -0.26 0.00 0.00 64.21 64.45 2puw n SER 522 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2puw h ASN 523 N 3.45 0.00 -0.41 4.04 -1.07 -1.03 -3.05 115.58 117.52 2puw h ASN 523 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2puw h ASN 523 Cb 1.46 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.71 2puw h ASN 523 CO 0.25 0.03 0.00 -0.67 0.07 0.00 0.00 177.43 177.11 2puw n ASP 524 N -3.18 3.83 -4.47 6.14 2.03 -1.26 -4.88 116.55 114.76 2puw n ASP 524 Ca -0.01 -2.49 -0.36 0.00 0.52 0.00 0.00 54.79 52.45 2puw n ASP 524 Cb 0.24 -0.56 -0.12 0.00 -0.72 0.00 0.00 41.12 39.96 2puw n ASP 524 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2puw s SER 525 N -0.62 5.22 0.12 1.67 0.15 -1.16 -4.99 113.70 114.10 2puw s SER 525 Ca 0.36 -0.17 0.07 0.00 0.70 0.00 0.00 55.95 56.91 2puw s SER 525 Cb 0.25 -1.93 -0.20 0.00 -1.71 0.00 0.00 66.02 62.43 2puw s SER 525 CO 0.13 -0.01 1.29 0.40 1.20 0.00 0.00 173.24 176.25 2puw h ILE 526 N 5.46 1.71 -0.02 6.45 2.04 -1.91 -2.95 117.51 128.29 2puw h ILE 526 Ca -0.38 -3.40 0.00 0.00 1.00 0.00 0.00 64.86 62.08 2puw h ILE 526 Cb 1.18 2.84 0.00 0.00 -0.74 0.00 0.00 36.82 40.09 2puw h ILE 526 CO 0.59 0.97 0.00 -1.54 0.00 0.00 0.00 178.15 178.17 2puw n SER 527 N -3.35 0.19 -0.00 1.72 3.41 -1.26 -3.28 113.62 111.04 2puw n SER 527 Ca 0.00 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 2puw n SER 527 Cb 0.93 -0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.81 2puw n SER 527 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2puw n ARG 528 N -0.41 1.33 -0.36 4.33 5.12 -1.13 -4.73 116.66 120.81 2puw n ARG 528 Ca 0.01 -0.02 0.28 0.00 -1.93 0.00 0.00 57.85 56.19 2puw n ARG 528 Cb 0.04 -1.06 0.53 0.00 -1.16 0.00 0.00 32.46 30.81 2puw n ARG 528 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2puw h LYS 529 N 0.00 0.24 -0.03 5.56 1.63 -1.51 0.29 116.57 122.74 2puw h LYS 529 Ca -0.02 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.78 2puw h LYS 529 Cb 0.48 -0.05 -0.05 0.00 -0.60 0.00 0.00 32.23 32.00 2puw h LYS 529 CO 0.00 0.16 -0.48 0.78 -3.45 0.00 0.00 179.45 176.46 2puw h GLY 530 N 0.25 -1.16 2.00 5.01 0.00 -1.85 0.60 103.07 107.92 2puw h GLY 530 Ca 0.75 0.67 0.00 0.00 0.00 0.00 0.00 47.33 48.75 2puw h GLY 530 CO -0.54 -0.26 0.00 -2.13 0.00 0.00 0.00 176.54 173.61 2puw n ARG 531 N -5.13 0.14 0.12 4.80 0.63 0.71 -0.84 116.66 117.09 2puw n ARG 531 Ca -0.06 0.18 -0.10 0.00 -0.92 0.00 0.00 57.85 56.95 2puw n ARG 531 Cb 0.35 -1.68 -0.06 0.00 0.45 0.00 0.00 32.46 31.51 2puw n ARG 531 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2puw h HIS 532 N 0.00 -0.36 0.00 -0.14 2.76 -0.21 -1.39 115.15 115.81 2puw h HIS 532 Ca 0.00 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.11 2puw h HIS 532 Cb 0.55 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.62 2puw h HIS 532 CO 0.00 -0.03 -0.27 0.93 -1.30 0.00 0.00 177.93 177.26 2puw h GLU 533 N -0.97 0.00 0.30 5.26 5.08 -0.80 0.35 114.58 123.81 2puw h GLU 533 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2puw h GLU 533 Cb 0.48 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2puw h GLU 533 CO 0.06 0.27 -0.30 1.49 -1.00 0.00 0.00 179.01 179.53 2puw h GLU 534 N 0.00 -0.61 -0.26 2.33 4.81 -1.02 -2.96 114.58 116.86 2puw h GLU 534 Ca -0.00 0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.13 2puw h GLU 534 Cb 0.61 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.13 2puw h GLU 534 CO 0.03 -0.41 -0.39 0.82 -0.73 0.00 0.00 179.01 178.34 2puw h ILE 535 N -0.64 1.30 -0.23 2.32 2.04 0.23 -2.83 117.51 119.70 2puw h ILE 535 Ca -0.01 -1.58 -0.04 0.00 1.00 0.00 0.00 64.86 64.22 2puw h ILE 535 Cb 0.58 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 2puw h ILE 535 CO -0.06 0.50 -0.02 0.40 0.00 0.00 0.00 178.15 178.97 2puw h ILE 536 N 0.46 1.27 0.14 -0.67 2.04 -0.51 -0.64 117.51 119.60 2puw h ILE 536 Ca 0.03 -0.97 0.01 0.00 1.00 0.00 0.00 64.86 64.92 2puw h ILE 536 Cb 0.98 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 2puw h ILE 536 CO 0.09 0.30 -0.16 0.11 0.00 0.00 0.00 178.15 178.49 2puw h LYS 537 N 0.18 -0.33 -0.02 2.37 1.79 -1.59 -1.72 116.57 117.26 2puw h LYS 537 Ca 0.06 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.56 2puw h LYS 537 Cb 0.46 0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.18 2puw h LYS 537 CO 0.02 -0.22 0.03 0.78 -1.08 0.00 0.00 179.45 178.97 2puw h GLY 538 N -0.34 0.00 0.93 3.86 0.00 -1.43 0.32 103.07 106.41 2puw h GLY 538 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 2puw h GLY 538 CO -0.06 0.00 0.11 1.41 0.00 0.00 0.00 176.54 178.01 2puw h LEU 539 N 0.00 0.55 -1.78 3.11 3.38 -0.21 -2.84 115.31 117.53 2puw h LEU 539 Ca 0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 2puw h LEU 539 Cb 0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2puw h LEU 539 CO -0.00 0.61 -0.03 -0.61 0.09 0.00 0.00 178.44 178.51 2puw h GLN 540 N 0.46 0.10 0.00 1.13 4.15 -0.50 -1.11 115.11 119.34 2puw h GLN 540 Ca 0.12 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 2puw h GLN 540 Cb 0.26 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.93 2puw h GLN 540 CO -0.00 0.14 -0.16 0.87 -1.93 0.00 0.00 178.83 177.75 2puw h LYS 541 N 0.10 0.00 -0.41 1.69 1.79 -1.30 -3.39 116.57 115.04 2puw h LYS 541 Ca 0.03 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.54 2puw h LYS 541 Cb 0.12 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.69 2puw h LYS 541 CO 0.00 0.16 -0.55 0.82 -1.08 0.00 0.00 179.45 178.81 2puw h ILE 542 N 0.00 0.00 -0.49 1.86 1.08 -0.96 -2.98 117.51 116.01 2puw h ILE 542 Ca -0.00 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.55 2puw h ILE 542 Cb 0.95 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.63 2puw h ILE 542 CO 0.02 0.00 0.13 -0.65 -0.69 0.00 0.00 178.15 176.96 2puw h PRO 543 N -0.39 0.27 -0.86 2.37 0.11 -1.77 0.59 132.00 132.33 2puw h PRO 543 Ca 0.07 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 2puw h PRO 543 Cb 0.58 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.59 2puw h PRO 543 CO -0.59 0.18 0.51 1.05 -0.21 0.00 0.00 178.00 178.94 2puw h GLU 544 N 0.28 1.16 -0.08 1.05 4.11 -1.84 -1.94 114.58 117.33 2puw h GLU 544 Ca 0.24 -0.11 -0.05 0.00 0.07 0.00 0.00 59.36 59.52 2puw h GLU 544 Cb 0.30 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2puw h GLU 544 CO -0.29 0.82 -0.16 1.96 0.07 0.00 0.00 179.01 181.40 2puw h GLN 545 N 1.18 0.12 -0.94 1.06 4.20 -0.80 0.52 115.11 120.45 2puw h GLN 545 Ca 0.31 -0.03 0.07 0.00 0.06 0.00 0.00 58.65 59.06 2puw h GLN 545 Cb -0.04 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.65 2puw h GLN 545 CO -0.06 0.29 0.60 0.82 -0.67 0.00 0.00 178.83 179.81 2puw h ILE 546 N 0.12 1.06 -0.60 2.54 1.08 -0.34 -2.88 117.51 118.48 2puw h ILE 546 Ca 0.02 -0.37 -0.02 0.00 -0.39 0.00 0.00 64.86 64.10 2puw h ILE 546 Cb 0.37 -0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 33.97 2puw h ILE 546 CO 0.02 0.20 0.28 0.11 -0.69 0.00 0.00 178.15 178.07 2puw h LYS 547 N 1.08 0.85 0.00 2.37 1.57 0.25 -0.10 116.57 122.59 2puw h LYS 547 Ca 0.41 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 59.05 2puw h LYS 547 Cb 0.19 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 2puw h LYS 547 CO -0.18 0.67 -0.15 1.96 -0.57 0.00 0.00 179.45 181.18 2puw h GLN 548 N 0.85 0.00 0.07 3.15 7.50 -1.32 -1.73 115.11 123.63 2puw h GLN 548 Ca 0.21 0.00 -0.28 0.00 0.50 0.00 0.00 58.65 59.08 2puw h GLN 548 Cb 0.11 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.62 2puw h GLN 548 CO -0.03 0.15 -1.44 0.28 -1.50 0.00 0.00 178.83 176.29 2puw h VAL 549 N 0.00 1.23 0.00 -0.54 2.07 -1.20 -3.21 116.25 114.59 2puw h VAL 549 Ca -0.00 -2.92 -0.08 0.00 0.82 0.00 0.00 66.70 64.51 2puw h VAL 549 Cb 0.54 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 2puw h VAL 549 CO 0.02 0.80 -0.40 -0.07 0.02 0.00 0.00 177.57 177.94 2puw h LEU 550 N 0.04 0.00 -1.61 2.57 3.38 -0.73 -0.75 115.31 118.21 2puw h LEU 550 Ca -0.20 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 2puw h LEU 550 Cb 1.96 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.70 2puw h LEU 550 CO 0.14 0.40 0.05 0.11 0.09 0.00 0.00 178.44 179.23 2puw h LYS 551 N 0.00 0.30 -0.09 1.13 1.57 -1.36 -1.39 116.57 116.74 2puw h LYS 551 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2puw h LYS 551 Cb 0.80 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2puw h LYS 551 CO 0.05 0.29 0.00 1.28 -0.57 0.00 0.00 179.45 180.50 2puw n LEU 552 N -4.41 0.09 -0.12 2.94 4.77 -0.29 -3.30 117.00 116.67 2puw n LEU 552 Ca 0.00 -0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 55.82 2puw n LEU 552 Cb 0.15 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2puw n LEU 552 CO 0.36 0.02 0.59 -0.08 -1.33 0.00 0.00 177.39 176.95 2puw h GLU 553 N 0.24 0.93 0.68 3.23 4.81 -1.36 -3.10 114.58 120.01 2puw h GLU 553 Ca 0.00 -0.46 -0.03 0.00 -0.13 0.00 0.00 59.36 58.74 2puw h GLU 553 Cb 0.04 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2puw h GLU 553 CO 0.00 1.12 -0.46 -0.91 -0.73 0.00 0.00 179.01 178.03 2puw h ASN 554 N 0.78 -1.17 -0.74 1.04 4.21 -1.82 -1.64 115.58 116.22 2puw h ASN 554 Ca 0.08 0.07 0.13 0.00 1.21 0.00 0.00 56.30 57.78 2puw h ASN 554 Cb 0.92 0.35 -0.13 0.00 -1.12 0.00 0.00 38.32 38.34 2puw h ASN 554 CO 0.09 -0.68 -0.33 0.50 -1.29 0.00 0.00 177.43 175.71 2puw h LYS 555 N -1.08 -0.09 -0.86 0.81 3.64 -1.85 0.11 116.57 117.26 2puw h LYS 555 Ca -0.09 0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.47 2puw h LYS 555 Cb 0.87 0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.61 2puw h LYS 555 CO 0.07 -0.06 0.41 0.82 -2.27 0.00 0.00 179.45 178.42 2puw h ILE 556 N -0.09 0.63 0.32 2.00 2.04 -1.43 -1.99 117.51 118.99 2puw h ILE 556 Ca 0.29 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.97 2puw h ILE 556 Cb 0.57 0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 2puw h ILE 556 CO -0.79 0.10 -0.49 0.11 0.00 0.00 0.00 178.15 177.07 2puw h LYS 557 N 0.53 -0.83 -0.67 2.37 1.57 0.20 -2.68 116.57 117.06 2puw h LYS 557 Ca 0.49 0.06 0.13 0.00 -1.87 0.00 0.00 60.65 59.46 2puw h LYS 557 Cb 0.80 0.19 -0.04 0.00 0.08 0.00 0.00 32.23 33.25 2puw h LYS 557 CO -0.43 -0.55 0.45 -0.44 -0.57 0.00 0.00 179.45 177.91 2puw h ASP 558 N -0.86 0.33 -1.00 0.86 5.19 -1.13 -0.91 116.42 118.90 2puw h ASP 558 Ca -0.03 0.01 0.06 0.00 -0.62 0.00 0.00 57.03 56.45 2puw h ASP 558 Cb 0.80 -0.05 -0.06 0.00 0.18 0.00 0.00 39.33 40.19 2puw h ASP 558 CO -0.16 0.18 0.65 0.25 -3.12 0.00 0.00 179.24 177.04 2puw h LEU 559 N 0.36 1.05 -0.76 1.55 5.85 -1.03 -2.69 115.31 119.64 2puw h LEU 559 Ca 0.32 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.04 2puw h LEU 559 Cb 0.75 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2puw h LEU 559 CO -0.09 0.69 0.00 0.00 -0.34 0.00 0.00 178.44 178.70 2puw h ASN 561 N 0.00 0.00 -0.64 0.00 2.35 -1.61 -3.16 115.58 112.52 2puw h ASN 561 Ca 0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.49 2puw h ASN 561 Cb 0.06 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 38.27 2puw h ASN 561 CO 0.00 0.49 0.33 -1.54 -1.65 0.00 0.00 177.43 175.06 2puw n SER 562 N -2.87 3.87 -3.22 5.81 3.41 -0.31 -5.15 113.62 115.17 2puw n SER 562 Ca -0.08 -3.03 0.04 0.00 -0.26 0.00 0.00 58.87 55.54 2puw n SER 562 Cb 0.79 -0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 2puw n SER 562 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2puw s SER 563 N -0.66 -0.22 0.00 4.04 1.04 -1.12 -5.00 113.70 111.79 2puw s SER 563 Ca 0.42 0.25 0.00 0.00 0.48 0.00 0.00 55.95 57.10 2puw s SER 563 Cb 0.34 1.23 0.00 0.00 0.10 0.00 0.00 66.02 67.69 2puw s SER 563 CO 0.09 -0.04 0.00 1.67 0.98 0.00 0.00 173.24 175.94 2puw n GLN 567 N 4.87 0.00 0.00 4.02 0.00 -1.26 -4.97 117.38 120.05 2puw n GLN 567 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.93 2puw n GLN 567 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.79 2puw n GLN 567 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2puw n LYS 568 N -1.76 0.00 -3.66 3.69 4.76 -1.26 -5.05 118.16 114.89 2puw n LYS 568 Ca 0.00 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.30 2puw n LYS 568 Cb 0.00 -0.46 -0.08 0.00 -1.84 0.00 0.00 35.03 32.65 2puw n LYS 568 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2puw s SER 569 N -3.65 -0.64 -0.09 4.39 0.15 -1.26 -3.00 113.70 109.60 2puw s SER 569 Ca 0.00 1.19 0.03 0.00 0.70 0.00 0.00 55.95 57.87 2puw s SER 569 Cb 0.00 1.20 0.01 0.00 -1.71 0.00 0.00 66.02 65.52 2puw s SER 569 CO 0.00 -0.25 -0.18 -0.22 1.20 0.00 0.00 173.24 173.79 2puw s LEU 570 N 0.20 1.86 -0.37 3.45 0.20 0.13 -4.49 118.68 119.66 2puw s LEU 570 Ca -0.01 -0.44 -0.14 0.00 0.69 0.00 0.00 54.13 54.24 2puw s LEU 570 Cb -0.04 -1.13 -0.00 0.00 -0.43 0.00 0.00 46.19 44.59 2puw s LEU 570 CO 0.02 0.09 0.27 -0.76 -0.29 0.00 0.00 176.35 175.68 2puw s LEU 571 N 0.56 4.72 0.11 -0.68 1.43 -1.00 -2.71 118.68 121.12 2puw s LEU 571 Ca -0.16 -0.58 -0.16 0.00 -1.03 0.00 0.00 54.13 52.20 2puw s LEU 571 Cb -0.17 -2.16 -0.07 0.00 0.03 0.00 0.00 46.19 43.82 2puw s LEU 571 CO 0.05 -0.32 0.55 -0.76 0.23 0.00 0.00 176.35 176.11 2puw s LEU 572 N 1.73 4.42 -0.09 1.79 1.02 -0.82 -1.21 118.68 125.52 2puw s LEU 572 Ca 0.06 1.16 -0.00 0.00 0.02 0.00 0.00 54.13 55.37 2puw s LEU 572 Cb -0.18 -3.09 0.02 0.00 0.02 0.00 0.00 46.19 42.96 2puw s LEU 572 CO 0.10 0.18 -0.07 -0.76 0.02 0.00 0.00 176.35 175.83 2puw s LEU 573 N -1.57 1.16 0.11 1.79 2.01 0.24 -1.82 118.68 120.59 2puw s LEU 573 Ca 0.34 -0.24 -0.16 0.00 0.01 0.00 0.00 54.13 54.08 2puw s LEU 573 Cb -0.17 -0.72 0.03 0.00 0.01 0.00 0.00 46.19 45.34 2puw s LEU 573 CO 0.19 -0.10 0.38 -0.83 1.01 0.00 0.00 176.35 176.99 2puw s GLY 574 N 1.51 -0.24 0.07 -3.19 0.00 -0.85 -2.17 107.32 102.46 2puw s GLY 574 Ca 0.00 -0.06 -0.26 0.00 0.00 0.00 0.00 44.72 44.41 2puw s GLY 574 CO -0.05 -0.31 0.62 -1.60 0.00 0.00 0.00 173.10 171.76 2puw s ARG 575 N -3.61 1.16 3.50 2.90 3.52 -1.26 -1.02 118.95 124.14 2puw s ARG 575 Ca 0.02 -0.17 0.00 0.00 -0.13 0.00 0.00 55.73 55.45 2puw s ARG 575 Cb 0.02 0.54 0.00 0.00 -1.56 0.00 0.00 34.95 33.95 2puw s ARG 575 CO -0.11 -0.45 0.00 0.41 -0.81 0.00 0.00 175.30 174.35 2puw n GLY 576 N 0.21 0.29 0.30 8.12 0.00 -1.26 -3.38 105.19 109.47 2puw n GLY 576 Ca -0.18 -0.87 0.10 0.00 0.00 0.00 0.00 46.02 45.07 2puw n GLY 576 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2puw h TYR 577 N 0.00 0.12 0.00 1.61 0.05 -1.94 0.36 116.97 117.18 2puw h TYR 577 Ca 0.00 0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.84 2puw h TYR 577 Cb 0.00 0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.82 2puw h TYR 577 CO 0.00 -0.26 0.00 1.04 -1.05 0.00 0.00 178.16 177.89 2puw n GLN 578 N -5.32 0.97 0.17 4.88 1.13 -1.22 -3.45 117.38 114.55 2puw n GLN 578 Ca 0.18 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.37 2puw n GLN 578 Cb 0.61 -1.22 0.32 0.00 0.11 0.00 0.00 30.24 30.06 2puw n GLN 578 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 2puw h PHE 579 N 0.02 0.00 -0.05 1.08 3.57 -1.01 -2.95 116.94 117.60 2puw h PHE 579 Ca 0.00 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 2puw h PHE 579 Cb 0.22 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.96 2puw h PHE 579 CO 0.00 0.00 -0.24 0.00 -2.23 0.00 0.00 178.31 175.84 2puw h ALA 580 N 2.22 0.09 -0.84 2.41 0.00 -1.79 -3.26 119.26 118.09 2puw h ALA 580 Ca 0.00 -0.42 0.10 0.00 0.00 0.00 0.00 54.91 54.59 2puw h ALA 580 Cb 0.82 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 2puw h ALA 580 CO 0.00 0.09 0.54 1.79 0.00 0.00 0.00 179.25 181.68 2puw h THR 581 N -0.31 0.95 0.20 0.00 1.35 -1.80 0.08 112.91 113.38 2puw h THR 581 Ca -0.02 -0.27 0.01 0.00 -0.55 0.00 0.00 66.41 65.58 2puw h THR 581 Cb 0.90 0.09 -0.04 0.00 -1.73 0.00 0.00 68.15 67.37 2puw h THR 581 CO 0.05 0.14 -0.50 0.00 -0.25 0.00 0.00 175.52 174.97 2puw h ALA 582 N 1.58 -0.96 0.00 6.62 0.00 -1.59 -0.12 119.26 124.79 2puw h ALA 582 Ca 0.39 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2puw h ALA 582 Cb 0.45 0.81 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2puw h ALA 582 CO -0.16 -1.10 -0.01 -0.07 0.00 0.00 0.00 179.25 177.91 2puw h LEU 583 N -0.78 0.00 0.45 0.00 3.38 -1.40 -0.88 115.31 116.08 2puw h LEU 583 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2puw h LEU 583 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2puw h LEU 583 CO -0.23 0.01 -0.22 -0.08 0.09 0.00 0.00 178.44 178.01 2puw h GLU 584 N 0.00 -0.58 -0.59 1.13 4.57 -0.60 -1.52 114.58 116.99 2puw h GLU 584 Ca -0.00 0.04 0.12 0.00 -1.18 0.00 0.00 59.36 58.34 2puw h GLU 584 Cb 0.46 0.13 -0.09 0.00 -0.16 0.00 0.00 28.75 29.10 2puw h GLU 584 CO 0.00 -0.38 0.09 0.78 -1.18 0.00 0.00 179.01 178.32 2puw h GLY 585 N -1.15 0.72 -0.28 1.92 0.00 -1.01 0.46 103.07 103.73 2puw h GLY 585 Ca -0.06 0.01 0.23 0.00 0.00 0.00 0.00 47.33 47.51 2puw h GLY 585 CO 0.10 -0.14 0.38 0.00 0.00 0.00 0.00 176.54 176.88 2puw h ALA 586 N 1.49 1.46 -0.01 3.60 0.00 -1.22 0.35 119.26 124.93 2puw h ALA 586 Ca 0.31 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.35 2puw h ALA 586 Cb 0.48 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2puw h ALA 586 CO -0.43 -0.39 -0.18 1.25 0.00 0.00 0.00 179.25 179.50 2puw h LEU 587 N 0.35 0.17 -0.02 0.00 5.85 0.21 -0.81 115.31 121.07 2puw h LEU 587 Ca 0.58 -0.75 0.03 0.00 0.84 0.00 0.00 57.88 58.58 2puw h LEU 587 Cb 1.14 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.06 2puw h LEU 587 CO -0.56 0.90 -0.41 0.11 -0.34 0.00 0.00 178.44 178.14 2puw h LYS 588 N -0.54 -0.53 -0.24 1.25 1.79 0.52 0.79 116.57 119.61 2puw h LYS 588 Ca -0.02 0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.55 2puw h LYS 588 Cb 0.92 0.12 -0.07 0.00 -1.58 0.00 0.00 32.23 31.62 2puw h LYS 588 CO 0.04 -0.35 -0.20 0.82 -1.08 0.00 0.00 179.45 178.68 2puw h ILE 589 N -0.55 0.47 -0.06 1.86 1.08 -0.42 0.43 117.51 120.32 2puw h ILE 589 Ca 0.05 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.56 2puw h ILE 589 Cb 0.64 0.47 -0.05 0.00 -3.07 0.00 0.00 36.82 34.81 2puw h ILE 589 CO -0.32 0.00 -0.25 0.11 -0.69 0.00 0.00 178.15 177.00 2puw h LYS 590 N -0.19 -0.34 0.08 2.37 1.57 -0.35 -2.38 116.57 117.34 2puw h LYS 590 Ca 0.14 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2puw h LYS 590 Cb 0.40 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2puw h LYS 590 CO -0.36 -0.23 -0.04 0.93 -0.57 0.00 0.00 179.45 179.19 2puw h GLU 591 N -0.35 -0.11 0.00 3.15 5.08 0.13 -3.29 114.58 119.19 2puw h GLU 591 Ca 0.08 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2puw h GLU 591 Cb 0.47 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2puw h GLU 591 CO -0.26 -0.07 0.00 -0.89 -1.00 0.00 0.00 179.01 176.79 2puw n ILE 592 N -3.79 0.00 0.88 3.13 -0.00 0.14 -3.59 119.36 116.14 2puw n ILE 592 Ca -0.01 1.31 0.09 0.00 -0.00 0.00 0.00 62.75 64.13 2puw n ILE 592 Cb 0.04 -2.29 0.45 0.00 -0.00 0.00 0.00 39.64 37.85 2puw n ILE 592 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 2puw n SER 593 N -1.70 0.00 -3.93 4.38 3.41 -1.10 -4.77 113.62 109.92 2puw n SER 593 Ca 0.00 -0.11 -0.32 0.00 -0.26 0.00 0.00 58.87 58.19 2puw n SER 593 Cb 0.00 -0.21 -0.00 0.00 -0.26 0.00 0.00 64.21 63.73 2puw n SER 593 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2puw n TYR 594 N -1.21 -1.94 -2.69 7.33 4.01 -0.91 -4.45 117.16 117.29 2puw n TYR 594 Ca 0.09 0.76 0.00 0.00 -0.16 0.00 0.00 57.90 58.60 2puw n TYR 594 Cb 0.12 -3.28 0.00 0.00 -0.31 0.00 0.00 39.34 35.86 2puw n TYR 594 CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 2puw n MET 595 N -4.34 1.18 -4.63 -0.72 1.56 -1.20 -5.06 117.12 103.92 2puw n MET 595 Ca 0.05 0.00 -0.32 0.00 -0.27 0.00 0.00 57.70 57.16 2puw n MET 595 Cb 0.51 0.00 -0.12 0.00 2.15 0.00 0.00 33.22 35.77 2puw n MET 595 CO 0.00 0.00 0.00 -1.58 -0.73 0.00 0.00 175.97 173.66 2puw s HIS 596 N 0.97 2.79 0.24 1.12 2.46 -1.16 -4.41 115.29 117.30 2puw s HIS 596 Ca 0.00 -0.09 0.02 0.00 0.47 0.00 0.00 55.06 55.45 2puw s HIS 596 Cb 0.00 -1.61 -0.04 0.00 -0.13 0.00 0.00 32.58 30.80 2puw s HIS 596 CO 0.00 0.30 0.18 0.45 -2.47 0.00 0.00 174.74 173.20 2puw s SER 597 N -1.13 0.67 -0.29 9.88 0.15 -1.26 0.21 113.70 121.93 2puw s SER 597 Ca 0.14 -1.51 -0.15 0.00 0.70 0.00 0.00 55.95 55.13 2puw s SER 597 Cb -0.11 0.44 0.13 0.00 -1.71 0.00 0.00 66.02 64.76 2puw s SER 597 CO 0.04 -0.91 0.87 -0.70 1.20 0.00 0.00 173.24 173.74 2puw s GLU 598 N -3.92 0.48 0.05 5.44 2.12 -1.10 -4.91 118.70 116.86 2puw s GLU 598 Ca 0.40 0.90 -0.18 0.00 0.36 0.00 0.00 54.97 56.44 2puw s GLU 598 Cb 0.05 0.21 -0.06 0.00 0.26 0.00 0.00 34.13 34.59 2puw s GLU 598 CO 0.17 -0.11 0.54 0.20 -0.54 0.00 0.00 175.26 175.52 2puw s GLY 599 N 1.69 2.63 0.11 -1.50 0.00 -1.26 -1.94 107.32 107.05 2puw s GLY 599 Ca -0.08 -0.02 0.08 0.00 0.00 0.00 0.00 44.72 44.70 2puw s GLY 599 CO -0.17 0.41 -0.19 0.14 0.00 0.00 0.00 173.10 173.29 2puw s VAL 600 N -1.06 1.65 0.12 1.40 1.01 -0.75 -4.80 120.40 117.97 2puw s VAL 600 Ca 0.28 -1.60 -0.31 0.00 0.00 0.00 0.00 61.98 60.35 2puw s VAL 600 Cb -0.19 -1.56 -0.09 0.00 0.00 0.00 0.00 36.38 34.54 2puw s VAL 600 CO 0.18 -0.14 1.65 -0.22 0.00 0.00 0.00 175.10 176.56 2puw s LEU 601 N -2.06 4.37 0.43 3.92 2.96 -1.24 -2.01 118.68 125.06 2puw s LEU 601 Ca 0.07 2.59 -0.22 0.00 -0.22 0.00 0.00 54.13 56.35 2puw s LEU 601 Cb -0.09 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 42.93 2puw s LEU 601 CO 0.04 -0.88 1.04 0.00 -1.32 0.00 0.00 176.35 175.23 2puw s ALA 602 N 2.01 3.01 -1.19 5.97 0.00 -0.19 -3.75 121.76 127.62 2puw s ALA 602 Ca 0.73 0.65 0.00 0.00 0.00 0.00 0.00 51.96 53.34 2puw s ALA 602 Cb -0.43 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2puw s ALA 602 CO 0.32 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.27 2puw n GLY 603 N 0.07 0.50 0.20 0.00 0.00 -1.19 -4.63 105.19 100.14 2puw n GLY 603 Ca 0.07 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 2puw n GLY 603 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2puw h GLU 604 N 0.00 0.66 0.00 1.61 4.39 -1.90 -3.49 114.58 115.85 2puw h GLU 604 Ca -0.28 -0.61 0.00 0.00 0.34 0.00 0.00 59.36 58.81 2puw h GLU 604 Cb 1.04 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2puw h GLU 604 CO 0.36 1.22 0.00 1.28 -1.16 0.00 0.00 179.01 180.71 2puw n LEU 605 N -3.87 0.00 -0.03 1.33 4.77 -1.26 -5.20 117.00 112.74 2puw n LEU 605 Ca -0.08 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.88 2puw n LEU 605 Cb 0.80 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.88 2puw n LEU 605 CO 0.53 0.00 -0.16 1.21 -1.33 0.00 0.00 177.39 177.64 2puw n GLU 615 N 0.00 0.20 -3.67 3.23 0.00 -1.26 -5.12 120.64 114.02 2puw n GLU 615 Ca 0.00 0.36 -0.29 0.00 0.00 0.00 0.00 57.16 57.23 2puw n GLU 615 Cb 0.00 -1.16 -0.13 0.00 0.00 0.00 0.00 31.44 30.15 2puw n GLU 615 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2puw s ASP 616 N -4.52 3.57 0.42 4.31 2.15 -1.26 -5.08 116.67 116.27 2puw s ASP 616 Ca -0.07 -2.40 0.03 0.00 0.43 0.00 0.00 52.55 50.54 2puw s ASP 616 Cb 0.01 -0.89 -0.03 0.00 -0.30 0.00 0.00 42.92 41.71 2puw s ASP 616 CO 0.10 -0.30 0.08 -1.48 -0.17 0.00 0.00 175.17 173.40 2puw s LEU 617 N 0.67 2.15 0.57 -1.34 0.05 -1.26 -5.10 118.68 114.42 2puw s LEU 617 Ca 0.17 -1.61 -0.21 0.00 0.05 0.00 0.00 54.13 52.53 2puw s LEU 617 Cb -0.23 -0.36 -0.04 0.00 -2.05 0.00 0.00 46.19 43.51 2puw s LEU 617 CO -0.03 -0.83 1.30 -2.84 -0.55 0.00 0.00 176.35 173.40 2puw s PRO 618 N -3.78 3.03 -0.23 1.48 0.02 -1.26 -4.82 135.00 129.44 2puw s PRO 618 Ca 0.22 2.09 -0.03 0.00 0.02 0.00 0.00 61.00 63.30 2puw s PRO 618 Cb 0.04 -2.12 0.07 0.00 0.02 0.00 0.00 34.50 32.51 2puw s PRO 618 CO 0.12 -1.23 0.07 0.42 -0.33 0.00 0.00 177.00 176.05 2puw s ILE 619 N -1.39 0.41 0.31 2.83 -1.09 -1.26 -2.36 121.20 118.65 2puw s ILE 619 Ca 0.74 -0.70 -0.27 0.00 -2.23 0.00 0.00 60.65 58.19 2puw s ILE 619 Cb -0.37 -1.08 -0.09 0.00 -1.58 0.00 0.00 42.46 39.33 2puw s ILE 619 CO 0.42 -0.40 1.01 -0.63 -1.23 0.00 0.00 174.94 174.12 2puw s ILE 620 N 1.89 3.86 -0.10 2.92 -1.09 -0.35 0.20 121.20 128.52 2puw s ILE 620 Ca 0.03 1.67 -0.05 0.00 -2.23 0.00 0.00 60.65 60.07 2puw s ILE 620 Cb -0.17 -3.99 0.05 0.00 -1.58 0.00 0.00 42.46 36.77 2puw s ILE 620 CO -0.16 0.25 0.24 0.00 -1.23 0.00 0.00 174.94 174.04 2puw s ALA 621 N -1.40 -0.54 -0.49 9.38 0.00 0.25 -0.59 121.76 128.37 2puw s ALA 621 Ca 0.48 0.98 -0.16 0.00 0.00 0.00 0.00 51.96 53.26 2puw s ALA 621 Cb -0.25 -0.64 0.09 0.00 0.00 0.00 0.00 23.12 22.32 2puw s ALA 621 CO 0.31 -0.21 0.43 -0.06 0.00 0.00 0.00 175.76 176.23 2puw s PHE 622 N 1.31 3.24 -0.36 0.00 0.40 -0.92 0.09 117.98 121.74 2puw s PHE 622 Ca -0.09 -1.00 0.06 0.00 -0.60 0.00 0.00 56.93 55.30 2puw s PHE 622 Cb -0.11 -3.33 0.45 0.00 0.51 0.00 0.00 43.02 40.55 2puw s PHE 622 CO -0.08 -0.86 1.29 0.00 0.70 0.00 0.00 175.22 176.27 2puw n ALA 623 N 5.25 5.19 -1.62 5.36 0.00 0.41 -4.80 120.51 130.31 2puw n ALA 623 Ca -0.13 -3.82 -0.34 0.00 0.00 0.00 0.00 53.44 49.16 2puw n ALA 623 Cb 0.43 -0.53 0.03 0.00 0.00 0.00 0.00 19.45 19.38 2puw n ALA 623 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2puw s THR 624 N -4.73 3.28 -0.97 0.00 -4.23 -1.25 -4.44 115.64 103.30 2puw s THR 624 Ca 0.52 0.66 0.21 0.00 -1.18 0.00 0.00 61.69 61.91 2puw s THR 624 Cb 0.42 -3.20 0.18 0.00 1.34 0.00 0.00 72.50 71.25 2puw s THR 624 CO 0.00 -0.30 1.68 0.54 -0.54 0.00 0.00 174.62 176.00 2puw n ARG 625 N -1.99 0.02 -0.00 3.99 1.74 -1.26 -1.39 116.66 117.76 2puw n ARG 625 Ca 0.11 0.15 -0.06 0.00 -0.77 0.00 0.00 57.85 57.27 2puw n ARG 625 Cb 0.52 -1.52 0.13 0.00 -1.02 0.00 0.00 32.46 30.56 2puw n ARG 625 CO 0.00 0.00 0.00 0.38 -1.52 0.00 0.00 177.63 176.49 2puw h ASP 626 N 0.00 0.57 -0.84 0.55 2.03 -1.92 -3.34 116.42 113.46 2puw h ASP 626 Ca 0.00 -0.24 -0.55 0.00 -0.73 0.00 0.00 57.03 55.51 2puw h ASP 626 Cb 0.38 -0.16 -0.43 0.00 -0.83 0.00 0.00 39.33 38.29 2puw h ASP 626 CO 0.00 0.88 -0.81 -1.20 -1.03 0.00 0.00 179.24 177.08 2puw n SER 627 N -4.05 4.88 -4.31 4.15 7.64 -0.49 -4.57 113.62 116.87 2puw n SER 627 Ca -0.01 -3.74 -0.38 0.00 1.01 0.00 0.00 58.87 55.75 2puw n SER 627 Cb 0.49 -0.36 -0.12 0.00 -1.01 0.00 0.00 64.21 63.21 2puw n SER 627 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2puw s LEU 628 N -3.59 4.31 0.13 -3.43 2.96 -1.09 -4.67 118.68 113.30 2puw s LEU 628 Ca 0.50 -1.01 0.06 0.00 -0.22 0.00 0.00 54.13 53.47 2puw s LEU 628 Cb 0.41 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 2puw s LEU 628 CO 0.01 -0.31 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.22 2puw s PHE 629 N 1.46 1.46 0.32 5.38 0.40 -1.26 -5.04 117.98 120.70 2puw s PHE 629 Ca 0.00 -0.54 0.10 0.00 -0.60 0.00 0.00 56.93 55.90 2puw s PHE 629 Cb -0.19 -0.76 0.98 0.00 0.51 0.00 0.00 43.02 43.56 2puw s PHE 629 CO 0.04 0.17 1.48 -2.30 0.70 0.00 0.00 175.22 175.30 2puw n PRO 630 N 0.53 -0.07 0.15 0.24 -0.02 -1.26 -0.93 135.00 133.63 2puw n PRO 630 Ca -0.15 1.35 -0.00 0.00 -2.02 0.00 0.00 63.50 62.68 2puw n PRO 630 Cb 0.57 -2.28 0.22 0.00 -0.02 0.00 0.00 33.50 31.99 2puw n PRO 630 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2puw h LYS 631 N 0.00 0.01 0.00 -0.52 1.57 -1.95 0.12 116.57 115.80 2puw h LYS 631 Ca 0.68 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 59.39 2puw h LYS 631 Cb 1.62 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.92 2puw h LYS 631 CO -0.81 0.56 -0.29 0.28 -0.57 0.00 0.00 179.45 178.62 2puw h VAL 632 N 0.01 0.90 0.16 0.50 2.07 -1.30 -1.66 116.25 116.92 2puw h VAL 632 Ca -0.01 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 2puw h VAL 632 Cb 0.97 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 2puw h VAL 632 CO 0.07 0.28 -0.08 -0.03 0.02 0.00 0.00 177.57 177.84 2puw h MET 633 N 0.00 -0.20 -0.66 1.57 4.05 -0.29 -2.89 114.93 116.50 2puw h MET 633 Ca -0.00 0.01 0.13 0.00 -0.28 0.00 0.00 59.70 59.56 2puw h MET 633 Cb 0.64 0.05 -0.13 0.00 -0.80 0.00 0.00 31.60 31.36 2puw h MET 633 CO 0.04 -0.03 -0.17 0.66 0.23 0.00 0.00 176.91 177.64 2puw h SER 634 N -1.03 -0.63 -0.90 1.39 4.64 -1.00 0.29 113.55 116.30 2puw h SER 634 Ca -0.02 0.20 0.12 0.00 -0.47 0.00 0.00 61.79 61.62 2puw h SER 634 Cb 0.27 0.42 -0.13 0.00 -0.31 0.00 0.00 62.40 62.64 2puw h SER 634 CO 0.04 -0.22 -0.40 0.00 -0.87 0.00 0.00 176.83 175.37 2puw n ALA 635 N -3.12 -0.24 0.33 5.18 0.00 -0.63 -1.40 120.51 120.64 2puw n ALA 635 Ca 0.08 0.86 -0.13 0.00 0.00 0.00 0.00 53.44 54.25 2puw n ALA 635 Cb 0.34 -0.32 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 2puw n ALA 635 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2puw h ILE 636 N 0.00 0.00 -0.41 0.00 2.04 -0.34 -3.27 117.51 115.54 2puw h ILE 636 Ca 0.27 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 66.04 2puw h ILE 636 Cb 0.49 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 2puw h ILE 636 CO -0.88 0.00 -0.24 -0.62 0.00 0.00 0.00 178.15 176.41 2puw n GLU 637 N -4.65 -0.18 0.27 2.37 1.02 0.27 0.16 120.64 119.90 2puw n GLU 637 Ca -0.11 0.64 0.16 0.00 -0.02 0.00 0.00 57.16 57.83 2puw n GLU 637 Cb 0.34 -0.95 0.75 0.00 -0.02 0.00 0.00 31.44 31.56 2puw n GLU 637 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 2puw h GLN 638 N 0.00 0.00 0.02 3.49 3.07 -1.56 0.93 115.11 121.06 2puw h GLN 638 Ca 0.07 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.72 2puw h GLN 638 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.72 2puw h GLN 638 CO -0.38 0.08 -0.45 0.28 0.09 0.00 0.00 178.83 178.45 2puw h VAL 639 N 0.00 1.53 0.00 1.86 2.07 0.15 -1.17 116.25 120.69 2puw h VAL 639 Ca -0.00 -2.34 -0.00 0.00 0.82 0.00 0.00 66.70 65.18 2puw h VAL 639 Cb 0.41 3.08 -0.00 0.00 -1.52 0.00 0.00 31.29 33.26 2puw h VAL 639 CO 0.01 0.56 -0.01 0.71 0.02 0.00 0.00 177.57 178.87 2puw h THR 640 N -0.89 0.06 0.07 2.57 1.35 -0.45 -1.68 112.91 113.94 2puw h THR 640 Ca -0.11 -0.13 -0.28 0.00 -0.55 0.00 0.00 66.41 65.34 2puw h THR 640 Cb 1.18 1.12 -0.02 0.00 -1.73 0.00 0.00 68.15 68.71 2puw h THR 640 CO -0.03 0.01 -1.40 0.00 -0.25 0.00 0.00 175.52 173.85 2puw h ALA 641 N 1.99 0.35 0.00 6.62 0.00 0.85 -2.98 119.26 126.09 2puw h ALA 641 Ca -0.00 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.82 2puw h ALA 641 Cb 0.12 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2puw h ALA 641 CO 0.00 1.22 0.00 -2.13 0.00 0.00 0.00 179.25 178.34 2puw n ARG 642 N -3.38 0.63 -2.98 0.00 0.00 -0.44 -4.83 116.66 105.66 2puw n ARG 642 Ca -0.12 0.00 -0.21 0.00 -0.00 0.00 0.00 57.85 57.53 2puw n ARG 642 Cb 1.02 -1.09 0.04 0.00 0.00 0.00 0.00 32.46 32.42 2puw n ARG 642 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2puw n ASP 643 N -0.59 -5.78 -4.41 6.15 8.00 -1.09 -5.01 116.55 113.82 2puw n ASP 643 Ca 0.03 -0.28 -0.31 0.00 0.71 0.00 0.00 54.79 54.94 2puw n ASP 643 Cb 0.01 -4.59 -0.14 0.00 -0.02 0.00 0.00 41.12 36.38 2puw n ASP 643 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2puw s GLY 644 N -2.76 1.45 -0.33 0.44 0.00 -1.11 -5.05 107.32 99.95 2puw s GLY 644 Ca 0.29 -1.10 -0.23 0.00 0.00 0.00 0.00 44.72 43.68 2puw s GLY 644 CO 0.36 -0.93 0.74 0.50 0.00 0.00 0.00 173.10 173.77 2puw s ARG 645 N -0.92 3.86 0.79 2.90 3.00 -1.26 -4.21 118.95 123.12 2puw s ARG 645 Ca 0.12 0.41 -0.10 0.00 0.00 0.00 0.00 55.73 56.16 2puw s ARG 645 Cb -0.10 -3.76 0.10 0.00 0.00 0.00 0.00 34.95 31.19 2puw s ARG 645 CO 0.01 -0.72 1.13 -1.25 0.00 0.00 0.00 175.30 174.48 2puw s PRO 646 N 2.92 1.74 -0.21 3.54 0.04 -1.26 -4.25 135.00 137.51 2puw s PRO 646 Ca 0.30 -0.26 0.01 0.00 0.04 0.00 0.00 61.00 61.09 2puw s PRO 646 Cb -0.14 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.40 2puw s PRO 646 CO 0.14 -1.62 -0.11 0.42 0.04 0.00 0.00 177.00 175.86 2puw s ILE 647 N -3.48 1.79 -0.55 0.56 1.09 0.53 -2.85 121.20 118.30 2puw s ILE 647 Ca 0.64 -1.13 -0.14 0.00 -1.10 0.00 0.00 60.65 58.92 2puw s ILE 647 Cb -0.09 -1.85 0.14 0.00 -1.06 0.00 0.00 42.46 39.60 2puw s ILE 647 CO 0.48 0.17 0.49 -0.69 -0.10 0.00 0.00 174.94 175.29 2puw s VAL 648 N 1.32 5.02 0.06 2.92 1.01 -1.19 -0.59 120.40 128.95 2puw s VAL 648 Ca -0.02 -1.67 -0.31 0.00 0.00 0.00 0.00 61.98 59.99 2puw s VAL 648 Cb -0.17 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 31.93 2puw s VAL 648 CO -0.08 -0.87 1.30 -0.63 0.00 0.00 0.00 175.10 174.82 2puw s ILE 649 N 1.40 3.75 -0.07 2.22 -1.09 0.11 -2.51 121.20 125.02 2puw s ILE 649 Ca 0.05 1.23 -0.32 0.00 -2.23 0.00 0.00 60.65 59.38 2puw s ILE 649 Cb -0.27 -3.79 0.14 0.00 -1.58 0.00 0.00 42.46 36.95 2puw s ILE 649 CO 0.01 0.07 1.39 0.00 -1.23 0.00 0.00 174.94 175.18 2puw s ASN 651 N -3.01 6.67 -0.16 0.00 0.02 -1.25 -1.14 114.94 116.07 2puw s ASN 651 Ca 0.15 2.50 -0.38 0.00 -1.02 0.00 0.00 52.86 54.11 2puw s ASN 651 Cb 0.07 -2.63 -0.15 0.00 0.02 0.00 0.00 41.25 38.56 2puw s ASN 651 CO -0.06 -0.59 1.73 -0.62 0.02 0.00 0.00 177.10 177.58 2puw n GLU 652 N 0.47 1.49 -0.50 -0.60 1.02 -0.92 -2.98 120.64 118.63 2puw n GLU 652 Ca 0.02 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 2puw n GLU 652 Cb 0.44 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.59 2puw n GLU 652 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2puw n GLY 653 N 4.02 1.25 3.01 0.62 0.00 -1.26 -5.01 105.19 107.81 2puw n GLY 653 Ca 0.24 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2puw n GLY 653 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2puw s ASP 654 N -2.21 3.07 -1.12 1.61 1.01 -1.16 -5.05 116.67 112.82 2puw s ASP 654 Ca 0.00 -0.70 -0.21 0.00 0.71 0.00 0.00 52.55 52.35 2puw s ASP 654 Cb 0.00 -1.21 0.07 0.00 1.01 0.00 0.00 42.92 42.79 2puw s ASP 654 CO 0.00 -0.10 1.53 0.00 0.21 0.00 0.00 175.17 176.81 2puw s ALA 655 N 1.44 3.02 -0.10 5.23 0.00 -1.26 -4.74 121.76 125.35 2puw s ALA 655 Ca 0.02 -2.57 -0.03 0.00 0.00 0.00 0.00 51.96 49.38 2puw s ALA 655 Cb -0.15 -4.53 -0.26 0.00 0.00 0.00 0.00 23.12 18.19 2puw s ALA 655 CO -0.09 -3.44 0.46 0.82 0.00 0.00 0.00 175.76 173.51 2puw h ILE 656 N 6.23 0.70 -3.33 0.00 1.08 -1.97 -3.44 117.51 116.77 2puw h ILE 656 Ca 0.29 -2.44 -0.64 0.00 -0.39 0.00 0.00 64.86 61.68 2puw h ILE 656 Cb 0.96 2.52 -0.23 0.00 -3.07 0.00 0.00 36.82 36.99 2puw h ILE 656 CO 1.41 0.82 -0.68 -0.63 -0.69 0.00 0.00 178.15 178.38 2puw s ILE 657 N -2.57 3.75 -0.58 -0.67 1.01 -1.26 -5.03 121.20 115.84 2puw s ILE 657 Ca -0.18 -0.40 -0.31 0.00 0.00 0.00 0.00 60.65 59.75 2puw s ILE 657 Cb 0.07 -2.65 -0.13 0.00 0.01 0.00 0.00 42.46 39.76 2puw s ILE 657 CO 0.79 0.48 2.41 -0.24 0.00 0.00 0.00 174.94 178.38 2puw n SER 658 N 3.72 1.64 0.20 3.58 2.88 -1.26 -4.70 113.62 119.68 2puw n SER 658 Ca -0.17 0.05 0.12 0.00 -1.33 0.00 0.00 58.87 57.53 2puw n SER 658 Cb 0.52 -1.26 0.62 0.00 -0.75 0.00 0.00 64.21 63.34 2puw n SER 658 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2puw h ASN 659 N 14.56 0.00 -0.76 -3.46 -0.00 -1.96 -2.73 115.58 121.22 2puw h ASN 659 Ca -0.19 0.00 0.22 0.00 -0.00 0.00 0.00 56.30 56.33 2puw h ASN 659 Cb 1.30 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 39.59 2puw h ASN 659 CO 1.17 0.00 0.66 -2.24 -0.00 0.00 0.00 177.43 177.03 2puw h ASP 660 N 0.00 0.00 -3.91 6.14 2.03 -2.03 -3.43 116.42 115.22 2puw h ASP 660 Ca 0.00 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 55.84 2puw h ASP 660 Cb 0.23 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.70 2puw h ASP 660 CO 0.00 0.00 0.24 -0.54 -1.03 0.00 0.00 179.24 177.91 2puw s LYS 661 N -4.76 4.14 -0.03 4.15 1.02 -1.03 -5.05 119.74 118.17 2puw s LYS 661 Ca -0.04 0.94 -0.23 0.00 0.02 0.00 0.00 55.97 56.65 2puw s LYS 661 Cb 0.18 -2.30 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 2puw s LYS 661 CO 0.65 0.06 0.67 0.54 -0.92 0.00 0.00 175.35 176.35 2puw s VAL 662 N -2.08 4.96 -0.30 3.17 0.11 -1.26 -5.00 120.40 120.00 2puw s VAL 662 Ca 0.58 1.40 -0.22 0.00 -2.93 0.00 0.00 61.98 60.81 2puw s VAL 662 Cb -0.10 -4.01 0.20 0.00 -1.53 0.00 0.00 36.38 30.94 2puw s VAL 662 CO 0.15 0.32 1.41 -1.38 -3.33 0.00 0.00 175.10 172.27 2puw s HIS 663 N 0.37 -0.04 0.93 1.54 -3.43 -1.26 -4.21 115.29 109.19 2puw s HIS 663 Ca 0.35 0.10 -0.13 0.00 -0.80 0.00 0.00 55.06 54.58 2puw s HIS 663 Cb -0.18 0.36 0.15 0.00 -1.43 0.00 0.00 32.58 31.48 2puw s HIS 663 CO 0.18 -0.02 1.14 0.99 -2.00 0.00 0.00 174.74 175.03 2puw s THR 664 N 0.30 1.99 -0.19 -5.38 2.01 -1.13 -5.00 115.64 108.24 2puw s THR 664 Ca 0.03 0.00 -0.04 0.00 0.31 0.00 0.00 61.69 61.99 2puw s THR 664 Cb -0.04 -2.73 0.09 0.00 0.01 0.00 0.00 72.50 69.83 2puw s THR 664 CO -0.14 0.00 0.26 0.42 -0.69 0.00 0.00 174.62 174.47 2puw s THR 665 N -3.27 -0.40 0.18 -0.82 -4.23 -1.26 -3.20 115.64 102.63 2puw s THR 665 Ca 0.64 0.02 -0.24 0.00 -1.18 0.00 0.00 61.69 60.93 2puw s THR 665 Cb -0.14 -0.62 -0.08 0.00 1.34 0.00 0.00 72.50 72.99 2puw s THR 665 CO 0.54 -0.09 0.77 -0.76 -0.54 0.00 0.00 174.62 174.54 2puw s LEU 666 N 2.39 4.55 -0.21 4.79 1.43 -1.04 -4.95 118.68 125.63 2puw s LEU 666 Ca 0.06 1.62 -0.02 0.00 -1.03 0.00 0.00 54.13 54.76 2puw s LEU 666 Cb -0.14 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.72 2puw s LEU 666 CO -0.12 0.18 -0.09 -1.61 0.23 0.00 0.00 176.35 174.94 2puw s GLU 667 N -1.30 3.23 -0.03 1.70 0.41 -1.26 -2.32 118.70 119.14 2puw s GLU 667 Ca 0.37 -0.71 0.07 0.00 -0.41 0.00 0.00 54.97 54.29 2puw s GLU 667 Cb -0.22 -2.89 -0.01 0.00 -1.78 0.00 0.00 34.13 29.23 2puw s GLU 667 CO 0.25 -0.22 -0.22 0.14 -0.49 0.00 0.00 175.26 174.73 2puw s VAL 668 N 1.42 1.77 0.54 2.63 -7.23 -0.29 -4.83 120.40 114.40 2puw s VAL 668 Ca 0.05 -0.94 -0.19 0.00 -1.81 0.00 0.00 61.98 59.09 2puw s VAL 668 Cb -0.14 -1.47 -0.09 0.00 0.56 0.00 0.00 36.38 35.24 2puw s VAL 668 CO -0.06 0.50 0.62 -2.65 -0.31 0.00 0.00 175.10 173.19 2puw n PRO 669 N 2.65 0.63 -3.45 4.82 -0.02 -1.26 -2.17 135.00 136.20 2puw n PRO 669 Ca -0.16 0.24 -0.39 0.00 -2.02 0.00 0.00 63.50 61.18 2puw n PRO 669 Cb 0.52 -1.75 -0.09 0.00 -0.02 0.00 0.00 33.50 32.16 2puw n PRO 669 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2puw s GLU 670 N -2.07 4.01 0.30 -0.52 2.12 -1.26 -4.88 118.70 116.40 2puw s GLU 670 Ca 0.68 -0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.96 2puw s GLU 670 Cb -0.47 -3.65 -0.00 0.00 0.26 0.00 0.00 34.13 30.27 2puw s GLU 670 CO 0.54 -0.23 0.01 -2.37 -0.54 0.00 0.00 175.26 172.67 2puw n THR 671 N 5.03 0.00 -1.64 -1.70 5.66 -1.26 -5.10 114.28 115.27 2puw n THR 671 Ca -0.10 -1.45 -0.46 0.00 -3.05 0.00 0.00 64.05 58.98 2puw n THR 671 Cb 0.51 0.30 -0.03 0.00 -1.55 0.00 0.00 70.33 69.56 2puw n THR 671 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2puw n VAL 672 N -0.75 0.74 -0.16 1.08 0.31 -1.26 -4.71 118.33 113.57 2puw n VAL 672 Ca -0.12 -0.18 -0.02 0.00 -0.01 0.00 0.00 64.34 64.00 2puw n VAL 672 Cb 0.39 -1.29 0.06 0.00 -0.91 0.00 0.00 33.84 32.09 2puw n VAL 672 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 2puw h ASP 673 N 4.28 -0.08 0.68 4.52 3.04 -1.99 0.19 116.42 127.06 2puw h ASP 673 Ca -0.45 0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.44 2puw h ASP 673 Cb 1.29 0.15 0.00 0.00 -1.04 0.00 0.00 39.33 39.74 2puw h ASP 673 CO 0.76 -0.01 0.00 0.00 -2.04 0.00 0.00 179.24 177.95 2puw n LEU 675 N -2.09 1.59 -0.24 0.00 4.77 0.58 -4.52 117.00 117.09 2puw n LEU 675 Ca 0.02 0.28 0.16 0.00 -0.03 0.00 0.00 56.01 56.45 2puw n LEU 675 Cb 0.22 -0.35 0.30 0.00 -2.33 0.00 0.00 43.42 41.26 2puw n LEU 675 CO 0.18 0.60 0.65 1.67 -1.33 0.00 0.00 177.39 179.17 2puw n GLN 676 N -3.20 -0.05 -0.33 3.23 -0.06 -0.55 -0.56 117.38 115.85 2puw n GLN 676 Ca -0.25 1.03 0.18 0.00 -2.00 0.00 0.00 57.00 55.96 2puw n GLN 676 Cb 1.06 -1.73 0.41 0.00 -4.06 0.00 0.00 30.24 25.91 2puw n GLN 676 CO 0.00 0.00 0.00 0.78 -0.20 0.00 0.00 177.06 177.64 2puw h GLY 677 N 0.00 1.59 1.27 1.69 0.00 -1.79 0.20 103.07 106.03 2puw h GLY 677 Ca 0.51 -0.29 0.10 0.00 0.00 0.00 0.00 47.33 47.66 2puw h GLY 677 CO -0.62 -0.14 0.26 1.41 0.00 0.00 0.00 176.54 177.45 2puw h LEU 678 N 0.57 0.00 0.00 3.11 3.38 -1.15 -1.44 115.31 119.77 2puw h LEU 678 Ca 0.60 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.49 2puw h LEU 678 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2puw h LEU 678 CO -0.37 0.00 -0.85 0.18 0.09 0.00 0.00 178.44 177.49 2puw n LEU 679 N -4.42 1.84 -0.09 1.67 4.77 0.54 -4.20 117.00 117.12 2puw n LEU 679 Ca 0.06 0.54 0.25 0.00 -0.03 0.00 0.00 56.01 56.83 2puw n LEU 679 Cb 0.44 -0.88 0.58 0.00 -2.33 0.00 0.00 43.42 41.23 2puw n LEU 679 CO 0.36 -0.21 1.23 0.78 -1.33 0.00 0.00 177.39 178.22 2puw h ASN 680 N -1.00 0.00 0.86 -1.43 4.21 -1.09 0.84 115.58 117.97 2puw h ASN 680 Ca -0.12 0.00 -0.22 0.00 1.21 0.00 0.00 56.30 57.17 2puw h ASN 680 Cb 0.82 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.00 2puw h ASN 680 CO -0.08 0.00 -1.01 1.62 -1.29 0.00 0.00 177.43 176.68 2puw h VAL 681 N 0.00 1.63 -0.13 2.81 3.04 -1.43 -3.36 116.25 118.82 2puw h VAL 681 Ca 0.37 -3.18 0.02 0.00 -1.01 0.00 0.00 66.70 62.90 2puw h VAL 681 Cb 2.15 2.78 -0.02 0.00 -2.01 0.00 0.00 31.29 34.18 2puw h VAL 681 CO -0.00 0.91 0.01 0.40 -1.01 0.00 0.00 177.57 177.88 2puw h ILE 682 N 0.03 0.92 -0.72 3.17 2.04 -1.00 -0.73 117.51 121.22 2puw h ILE 682 Ca -0.04 -0.02 0.17 0.00 1.00 0.00 0.00 64.86 65.97 2puw h ILE 682 Cb 1.73 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.63 2puw h ILE 682 CO 0.14 0.01 0.49 -0.65 0.00 0.00 0.00 178.15 178.15 2puw h PRO 683 N 0.06 0.22 0.00 2.37 0.11 -1.71 0.24 132.00 133.29 2puw h PRO 683 Ca 0.06 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.07 2puw h PRO 683 Cb 0.07 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 2puw h PRO 683 CO -0.10 0.15 -0.41 -0.07 -0.21 0.00 0.00 178.00 177.36 2puw h LEU 684 N 0.23 0.00 0.25 2.35 -0.00 -1.35 0.46 115.31 117.24 2puw h LEU 684 Ca 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.22 2puw h LEU 684 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.72 2puw h LEU 684 CO -0.07 0.41 -0.12 1.56 -0.00 0.00 0.00 178.44 180.22 2puw h GLN 685 N 0.00 -0.32 -0.76 1.13 4.20 0.45 -1.75 115.11 118.06 2puw h GLN 685 Ca -0.00 0.02 0.18 0.00 0.06 0.00 0.00 58.65 58.90 2puw h GLN 685 Cb 1.29 0.07 -0.13 0.00 0.30 0.00 0.00 27.48 29.01 2puw h GLN 685 CO 0.05 0.03 0.02 -0.07 -0.67 0.00 0.00 178.83 178.19 2puw h LEU 686 N -0.92 -0.33 0.23 1.46 3.38 -0.52 0.29 115.31 118.91 2puw h LEU 686 Ca -0.03 0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2puw h LEU 686 Cb 0.50 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2puw h LEU 686 CO 0.06 -0.18 -0.18 0.40 0.09 0.00 0.00 178.44 178.63 2puw h ILE 687 N 0.11 0.00 0.00 1.22 2.04 -0.18 -2.61 117.51 118.09 2puw h ILE 687 Ca 0.42 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.28 2puw h ILE 687 Cb 0.75 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2puw h ILE 687 CO -0.67 0.00 0.23 0.77 0.00 0.00 0.00 178.15 178.48 2puw h SER 688 N -0.40 0.00 0.00 1.72 4.64 0.36 -1.56 113.55 118.31 2puw h SER 688 Ca -0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2puw h SER 688 Cb 0.33 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2puw h SER 688 CO 0.00 0.00 -0.09 0.22 -0.87 0.00 0.00 176.83 176.10 2puw h TYR 689 N 0.00 0.00 -0.58 4.77 3.20 -0.54 -3.04 116.97 120.78 2puw h TYR 689 Ca 0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2puw h TYR 689 Cb 0.46 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 2puw h TYR 689 CO 0.00 0.25 0.34 -1.49 -1.64 0.00 0.00 178.16 175.63 2puw h TRP 690 N -1.00 0.77 -0.72 -3.82 4.06 -0.90 -0.18 115.95 114.16 2puw h TRP 690 Ca -0.01 -0.00 0.16 0.00 2.06 0.00 0.00 58.89 61.10 2puw h TRP 690 Cb 0.30 -0.25 -0.12 0.00 -1.00 0.00 0.00 29.16 28.09 2puw h TRP 690 CO 0.04 0.53 0.06 -0.07 -3.56 0.00 0.00 178.44 175.44 2puw h LEU 691 N 0.78 -0.21 -0.91 -4.49 3.38 -1.69 0.39 115.31 112.56 2puw h LEU 691 Ca 0.21 0.17 -0.06 0.00 0.09 0.00 0.00 57.88 58.29 2puw h LEU 691 Cb -0.01 0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2puw h LEU 691 CO -0.04 -0.12 0.15 0.00 0.09 0.00 0.00 178.44 178.52 2puw h ALA 692 N 1.65 1.11 0.35 1.53 0.00 -1.21 0.28 119.26 122.97 2puw h ALA 692 Ca 0.40 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2puw h ALA 692 Cb 0.69 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2puw h ALA 692 CO -0.58 0.60 -0.17 0.28 0.00 0.00 0.00 179.25 179.37 2puw h VAL 693 N 0.91 0.00 -0.95 0.00 2.07 0.53 0.10 116.25 118.91 2puw h VAL 693 Ca 0.20 -0.03 0.22 0.00 0.82 0.00 0.00 66.70 67.90 2puw h VAL 693 Cb 0.32 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.91 2puw h VAL 693 CO -0.00 0.00 -0.15 0.59 0.02 0.00 0.00 177.57 178.03 2puw n ASN 694 N -3.38 -0.26 -0.21 0.57 4.13 0.12 0.16 115.26 116.40 2puw n ASN 694 Ca -0.06 1.63 0.00 0.00 1.68 0.00 0.00 54.58 57.84 2puw n ASN 694 Cb 0.19 -0.53 0.00 0.00 -1.54 0.00 0.00 39.78 37.90 2puw n ASN 694 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2puw n ARG 695 N -5.51 0.39 0.00 3.52 1.74 0.97 -4.79 116.66 112.98 2puw n ARG 695 Ca 0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 2puw n ARG 695 Cb 0.57 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.93 2puw n ARG 695 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2puw n GLY 696 N 0.06 1.84 3.71 -0.13 0.00 0.42 -4.96 105.19 106.13 2puw n GLY 696 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2puw n GLY 696 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2puw n ILE 697 N 0.00 0.08 -1.87 -0.61 5.41 0.34 -4.83 119.36 117.88 2puw n ILE 697 Ca 0.00 -0.01 -0.39 0.00 1.00 0.00 0.00 62.75 63.35 2puw n ILE 697 Cb 0.00 -1.97 -0.03 0.00 -0.71 0.00 0.00 39.64 36.93 2puw n ILE 697 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2puw s ASP 698 N 1.49 5.15 0.00 4.38 2.15 -1.26 -4.09 116.67 124.49 2puw s ASP 698 Ca 0.77 0.81 0.00 0.00 0.43 0.00 0.00 52.55 54.56 2puw s ASP 698 Cb -0.52 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.58 2puw s ASP 698 CO 0.34 -2.38 0.55 1.33 -0.17 0.00 0.00 175.17 174.84 2puw n VAL 699 N 7.51 0.00 -0.46 1.11 0.24 -1.26 -5.07 118.33 120.40 2puw n VAL 699 Ca 0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.56 2puw n VAL 699 Cb 0.52 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 2puw n VAL 699 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16