#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nwj h THR 343 N 0.00 0.00 -0.37 -3.48 1.03 -1.97 -3.47 112.91 104.64 2nwj h THR 343 Ca 0.00 -0.42 -0.29 0.00 -0.01 0.00 0.00 66.41 65.68 2nwj h THR 343 Cb 0.00 1.30 0.02 0.00 -1.07 0.00 0.00 68.15 68.40 2nwj h THR 343 CO 0.00 0.00 0.03 0.54 -0.01 0.00 0.00 175.52 176.08 2nwj n ARG 344 N -2.52 0.00 -4.22 0.00 1.74 -1.26 -5.00 116.66 105.40 2nwj n ARG 344 Ca 0.03 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.77 2nwj n ARG 344 Cb 0.32 -0.56 -0.11 0.00 -1.02 0.00 0.00 32.46 31.09 2nwj n ARG 344 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2nwj s VAL 345 N 0.04 4.20 -0.42 1.55 1.01 -0.32 -4.98 120.40 121.48 2nwj s VAL 345 Ca 0.34 -0.24 -0.17 0.00 0.00 0.00 0.00 61.98 61.91 2nwj s VAL 345 Cb -0.47 -2.87 0.02 0.00 0.00 0.00 0.00 36.38 33.06 2nwj s VAL 345 CO 0.21 0.47 0.40 -0.69 0.00 0.00 0.00 175.10 175.50 2nwj s VAL 346 N 0.46 5.13 0.38 2.92 1.01 -1.26 -0.68 120.40 128.37 2nwj s VAL 346 Ca -0.01 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.40 2nwj s VAL 346 Cb -0.14 -4.02 -0.08 0.00 0.00 0.00 0.00 36.38 32.15 2nwj s VAL 346 CO 0.02 -0.40 0.78 0.86 0.00 0.00 0.00 175.10 176.36 2nwj s TRP 347 N 2.01 3.43 -0.23 5.22 -0.11 0.51 0.52 118.94 130.29 2nwj s TRP 347 Ca 0.10 1.15 -0.04 0.00 1.22 0.00 0.00 56.10 58.53 2nwj s TRP 347 Cb -0.18 -2.51 -0.00 0.00 -1.50 0.00 0.00 33.47 29.28 2nwj s TRP 347 CO 0.13 -0.06 -0.04 0.00 -4.62 0.00 0.00 176.95 172.36 2nwj s ALA 349 N 1.45 3.76 -0.46 0.00 0.00 0.48 -4.75 121.76 122.24 2nwj s ALA 349 Ca 0.05 -0.55 -0.16 0.00 0.00 0.00 0.00 51.96 51.29 2nwj s ALA 349 Cb -0.15 -2.15 0.06 0.00 0.00 0.00 0.00 23.12 20.88 2nwj s ALA 349 CO -0.03 0.40 0.41 0.08 0.00 0.00 0.00 175.76 176.62 2nwj s VAL 350 N -0.46 5.20 0.00 0.00 1.01 -1.26 -1.14 120.40 123.74 2nwj s VAL 350 Ca 0.15 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.22 2nwj s VAL 350 Cb -0.13 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.14 2nwj s VAL 350 CO 0.04 -0.55 0.00 0.61 0.00 0.00 0.00 175.10 175.20 2nwj n GLY 351 N 5.19 -0.26 0.23 4.51 0.00 0.34 -4.29 105.19 110.91 2nwj n GLY 351 Ca -0.11 -1.72 0.04 0.00 0.00 0.00 0.00 46.02 44.23 2nwj n GLY 351 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2nwj h PRO 352 N 0.00 0.11 -0.12 1.61 0.13 -1.92 -1.92 132.00 129.88 2nwj h PRO 352 Ca 0.00 -0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 64.93 2nwj h PRO 352 Cb 0.00 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 31.12 2nwj h PRO 352 CO 0.00 0.26 -0.61 0.93 -0.23 0.00 0.00 178.00 178.36 2nwj h GLU 353 N 0.10 0.62 -0.27 0.86 5.08 -1.97 -1.27 114.58 117.74 2nwj h GLU 353 Ca 0.02 -0.51 -0.10 0.00 -1.00 0.00 0.00 59.36 57.77 2nwj h GLU 353 Cb 0.33 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2nwj h GLU 353 CO 0.02 1.13 -0.26 0.93 -1.00 0.00 0.00 179.01 179.83 2nwj h GLU 354 N 0.27 0.53 -0.53 2.33 5.08 -1.73 -2.17 114.58 118.35 2nwj h GLU 354 Ca -0.04 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2nwj h GLU 354 Cb 1.25 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 2nwj h GLU 354 CO 0.13 0.75 0.32 0.37 -1.00 0.00 0.00 179.01 179.57 2nwj h GLN 355 N 0.46 0.73 -0.55 2.33 4.15 -1.19 0.11 115.11 121.15 2nwj h GLN 355 Ca 0.06 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2nwj h GLN 355 Cb 0.70 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 2nwj h GLN 355 CO 0.05 0.53 0.26 -0.22 -1.93 0.00 0.00 178.83 177.52 2nwj h LYS 356 N 0.72 0.79 -0.52 1.69 3.64 -0.91 -0.13 116.57 121.84 2nwj h LYS 356 Ca 0.19 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.36 2nwj h LYS 356 Cb -0.01 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 2nwj h LYS 356 CO -0.04 0.64 -0.07 -0.22 -2.27 0.00 0.00 179.45 177.49 2nwj h LYS 357 N 0.74 0.93 -0.72 1.90 3.64 -1.08 -2.02 116.57 119.96 2nwj h LYS 357 Ca 0.19 -0.31 -0.06 0.00 -1.27 0.00 0.00 60.65 59.19 2nwj h LYS 357 Cb 0.12 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 2nwj h LYS 357 CO -0.02 0.97 0.21 0.00 -2.27 0.00 0.00 179.45 178.33 2nwj h GLN 359 N 1.07 0.54 -0.30 0.00 4.20 -0.67 0.28 115.11 120.23 2nwj h GLN 359 Ca 0.23 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 2nwj h GLN 359 Cb 0.32 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 2nwj h GLN 359 CO -0.00 0.60 -0.03 0.37 -0.67 0.00 0.00 178.83 179.10 2nwj h GLN 360 N 0.51 0.55 -0.65 1.46 5.75 -0.94 -1.02 115.11 120.77 2nwj h GLN 360 Ca 0.10 -0.19 -0.04 0.00 -0.15 0.00 0.00 58.65 58.37 2nwj h GLN 360 Cb 0.41 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.89 2nwj h GLN 360 CO 0.02 0.72 0.24 2.35 -2.65 0.00 0.00 178.83 179.51 2nwj h TRP 361 N 0.33 1.02 0.22 3.99 7.01 -0.69 -1.28 115.95 126.55 2nwj h TRP 361 Ca 0.08 -0.09 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 2nwj h TRP 361 Cb 0.49 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 27.25 2nwj h TRP 361 CO 0.04 0.81 -0.13 1.03 -2.79 0.00 0.00 178.44 177.40 2nwj h SER 362 N 0.93 -0.32 -0.21 2.65 0.87 -0.21 -0.21 113.55 117.05 2nwj h SER 362 Ca 0.22 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.85 2nwj h SER 362 Cb 0.24 0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 62.23 2nwj h SER 362 CO -0.01 -0.21 -0.19 -0.61 -0.53 0.00 0.00 176.83 175.27 2nwj h GLN 363 N -0.34 -0.19 0.00 2.24 4.15 -1.00 -1.52 115.11 118.45 2nwj h GLN 363 Ca -0.02 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 2nwj h GLN 363 Cb 0.28 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 2nwj h GLN 363 CO 0.03 -0.13 -0.07 1.96 -1.93 0.00 0.00 178.83 178.69 2nwj h GLN 364 N -0.20 0.00 -0.06 1.69 1.08 -1.05 -2.63 115.11 113.94 2nwj h GLN 364 Ca 0.12 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 2nwj h GLN 364 Cb 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 2nwj h GLN 364 CO -0.33 0.07 0.00 -1.13 -0.95 0.00 0.00 178.83 176.50 2nwj n SER 365 N -3.27 1.56 -2.32 1.46 3.41 -0.11 -4.92 113.62 109.44 2nwj n SER 365 Ca -0.01 -1.57 -0.16 0.00 -0.26 0.00 0.00 58.87 56.88 2nwj n SER 365 Cb 0.29 -0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.23 2nwj n SER 365 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2nwj n GLY 366 N 1.16 -0.15 2.50 5.00 0.00 -0.99 -2.40 105.19 110.31 2nwj n GLY 366 Ca 0.18 -0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 2nwj n GLY 366 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2nwj n GLN 367 N -3.22 -1.57 0.23 1.61 6.02 -0.64 -4.82 117.38 114.99 2nwj n GLN 367 Ca -0.06 1.13 0.14 0.00 -0.01 0.00 0.00 57.00 58.20 2nwj n GLN 367 Cb 0.58 -5.66 0.43 0.00 1.02 0.00 0.00 30.24 26.61 2nwj n GLN 367 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2nwj h ASN 368 N 0.00 0.00 -3.60 1.08 2.35 -1.71 -3.40 115.58 110.30 2nwj h ASN 368 Ca -0.47 0.00 -0.49 0.00 -0.55 0.00 0.00 56.30 54.80 2nwj h ASN 368 Cb 1.37 0.00 -0.32 0.00 0.05 0.00 0.00 38.32 39.42 2nwj h ASN 368 CO 0.61 0.00 -0.81 -0.69 -1.65 0.00 0.00 177.43 174.89 2nwj s VAL 369 N -3.41 1.03 0.41 2.81 1.01 -1.26 -1.18 120.40 119.81 2nwj s VAL 369 Ca 0.04 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.62 2nwj s VAL 369 Cb 0.07 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.47 2nwj s VAL 369 CO 0.59 0.32 0.04 -0.89 0.00 0.00 0.00 175.10 175.17 2nwj s THR 370 N 0.47 1.33 -0.02 3.92 2.01 0.14 -4.24 115.64 119.26 2nwj s THR 370 Ca -0.10 -2.00 0.07 0.00 0.31 0.00 0.00 61.69 59.97 2nwj s THR 370 Cb -0.13 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.72 2nwj s THR 370 CO 0.02 0.00 -0.22 0.00 -0.69 0.00 0.00 174.62 173.73 2nwj s ALA 372 N -0.47 2.04 0.05 0.00 0.00 0.41 -4.92 121.76 118.87 2nwj s ALA 372 Ca 0.07 -1.20 0.05 0.00 0.00 0.00 0.00 51.96 50.88 2nwj s ALA 372 Cb -0.09 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 2nwj s ALA 372 CO -0.00 0.47 -0.15 0.99 0.00 0.00 0.00 175.76 177.06 2nwj s THR 373 N -0.85 1.18 0.09 0.00 2.01 -1.26 -0.38 115.64 116.43 2nwj s THR 373 Ca 0.10 -1.10 -0.04 0.00 0.31 0.00 0.00 61.69 60.96 2nwj s THR 373 Cb -0.09 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.31 2nwj s THR 373 CO 0.02 -0.03 0.09 0.00 -0.69 0.00 0.00 174.62 174.02 2nwj s ALA 374 N -0.94 0.29 -0.27 7.40 0.00 -0.29 -4.93 121.76 123.01 2nwj s ALA 374 Ca 0.02 -1.04 0.24 0.00 0.00 0.00 0.00 51.96 51.17 2nwj s ALA 374 Cb -0.08 0.52 0.50 0.00 0.00 0.00 0.00 23.12 24.06 2nwj s ALA 374 CO 0.02 -0.47 1.66 0.77 0.00 0.00 0.00 175.76 177.74 2nwj h SER 375 N 2.90 0.00 -5.25 0.00 0.02 -1.94 0.98 113.55 110.25 2nwj h SER 375 Ca -0.34 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.49 2nwj h SER 375 Cb 1.18 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.57 2nwj h SER 375 CO 0.60 0.09 -0.61 0.42 -1.14 0.00 0.00 176.83 176.19 2nwj s THR 376 N -3.28 0.18 0.21 -2.27 -4.23 -1.26 -4.40 115.64 100.60 2nwj s THR 376 Ca 0.05 -1.70 -0.09 0.00 -1.18 0.00 0.00 61.69 58.78 2nwj s THR 376 Cb 0.06 -1.57 0.17 0.00 1.34 0.00 0.00 72.50 72.50 2nwj s THR 376 CO 0.66 -0.84 1.82 0.74 -0.54 0.00 0.00 174.62 176.46 2nwj h THR 377 N 3.02 1.24 -0.82 3.99 2.02 -1.90 -1.54 112.91 118.92 2nwj h THR 377 Ca -0.34 -0.63 0.02 0.00 0.77 0.00 0.00 66.41 66.22 2nwj h THR 377 Cb 1.16 0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 2nwj h THR 377 CO 0.63 0.28 0.54 0.44 0.37 0.00 0.00 175.52 177.77 2nwj h ASP 378 N 1.13 0.92 -0.47 4.18 3.32 -1.96 0.31 116.42 123.84 2nwj h ASP 378 Ca 0.28 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 2nwj h ASP 378 Cb 0.06 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 2nwj h ASP 378 CO -0.04 0.65 0.18 0.44 -1.72 0.00 0.00 179.24 178.75 2nwj h ASP 379 N 1.08 0.69 -0.58 6.45 5.19 -1.79 -1.37 116.42 126.10 2nwj h ASP 379 Ca 0.31 -0.09 -0.10 0.00 -0.62 0.00 0.00 57.03 56.53 2nwj h ASP 379 Cb -0.08 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.23 2nwj h ASP 379 CO -0.08 0.64 -0.02 0.00 -3.12 0.00 0.00 179.24 176.65 2nwj h ILE 381 N 0.93 1.25 -0.69 0.00 5.03 -0.22 -1.09 117.51 122.73 2nwj h ILE 381 Ca 0.16 -0.47 -0.06 0.00 -0.12 0.00 0.00 64.86 64.37 2nwj h ILE 381 Cb 0.58 -0.18 -0.03 0.00 -3.03 0.00 0.00 36.82 34.16 2nwj h ILE 381 CO 0.03 0.25 0.21 0.58 -0.68 0.00 0.00 178.15 178.54 2nwj h VAL 382 N 1.33 1.26 -0.95 1.67 2.07 -0.81 0.58 116.25 121.39 2nwj h VAL 382 Ca 0.36 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 2nwj h VAL 382 Cb -0.14 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.11 2nwj h VAL 382 CO -0.08 0.35 0.59 -0.07 0.02 0.00 0.00 177.57 178.38 2nwj h LEU 383 N 1.02 1.13 -0.36 2.57 3.38 -0.32 0.47 115.31 123.21 2nwj h LEU 383 Ca 0.22 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 2nwj h LEU 383 Cb 0.32 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2nwj h LEU 383 CO -0.00 0.86 -0.02 0.58 0.09 0.00 0.00 178.44 179.95 2nwj h VAL 384 N 1.31 1.26 -0.69 1.22 2.07 -0.61 0.32 116.25 121.13 2nwj h VAL 384 Ca 0.34 -1.02 0.02 0.00 0.82 0.00 0.00 66.70 66.87 2nwj h VAL 384 Cb -0.08 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 2nwj h VAL 384 CO -0.07 0.34 0.46 -0.07 0.02 0.00 0.00 177.57 178.25 2nwj h LEU 385 N 0.46 0.75 -0.41 2.57 3.38 -0.31 -1.02 115.31 120.72 2nwj h LEU 385 Ca 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2nwj h LEU 385 Cb 0.49 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2nwj h LEU 385 CO 0.02 0.53 0.00 0.11 0.09 0.00 0.00 178.44 179.19 2nwj h LYS 386 N 0.87 0.00 0.00 1.13 1.57 -0.56 -3.47 116.57 116.12 2nwj h LYS 386 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 2nwj h LYS 386 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2nwj h LYS 386 CO -0.07 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.22 2nwj n GLY 387 N 0.72 0.75 0.11 3.86 0.00 -0.39 -4.93 105.19 105.31 2nwj n GLY 387 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 2nwj n GLY 387 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2nwj n GLU 388 N -2.43 0.48 -3.79 1.61 1.02 0.01 -4.82 120.64 112.72 2nwj n GLU 388 Ca 0.00 -0.22 -0.11 0.00 -0.02 0.00 0.00 57.16 56.81 2nwj n GLU 388 Cb 0.00 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 29.85 2nwj n GLU 388 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2nwj s ALA 389 N -2.67 -0.54 -0.23 0.62 0.00 -1.10 -4.90 121.76 112.93 2nwj s ALA 389 Ca 0.21 -0.18 0.05 0.00 0.00 0.00 0.00 51.96 52.05 2nwj s ALA 389 Cb 0.19 0.37 -0.20 0.00 0.00 0.00 0.00 23.12 23.48 2nwj s ALA 389 CO 0.55 -0.44 -0.10 -0.25 0.00 0.00 0.00 175.76 175.52 2nwj n ASP 390 N 0.42 1.50 -3.64 0.00 8.00 0.18 -4.08 116.55 118.95 2nwj n ASP 390 Ca -0.18 -0.07 -0.08 0.00 0.71 0.00 0.00 54.79 55.17 2nwj n ASP 390 Cb 0.60 -0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.58 2nwj n ASP 390 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nwj s ALA 391 N -2.52 -1.59 0.06 2.24 0.00 -1.07 -4.00 121.76 114.89 2nwj s ALA 391 Ca -0.28 0.34 -0.26 0.00 0.00 0.00 0.00 51.96 51.76 2nwj s ALA 391 Cb 0.08 0.69 0.09 0.00 0.00 0.00 0.00 23.12 23.98 2nwj s ALA 391 CO 0.67 -0.89 0.75 -0.48 0.00 0.00 0.00 175.76 175.81 2nwj s LEU 392 N -2.78 -0.48 -0.17 0.00 2.34 -1.15 -1.17 118.68 115.27 2nwj s LEU 392 Ca 0.07 0.06 -0.17 0.00 0.06 0.00 0.00 54.13 54.16 2nwj s LEU 392 Cb -0.02 2.31 -0.04 0.00 -0.56 0.00 0.00 46.19 47.88 2nwj s LEU 392 CO -0.03 -0.77 0.43 0.21 -1.06 0.00 0.00 176.35 175.13 2nwj s ASN 393 N -2.47 6.54 0.07 1.48 2.47 -1.26 -1.24 114.94 120.52 2nwj s ASN 393 Ca 0.02 0.64 0.08 0.00 0.42 0.00 0.00 52.86 54.01 2nwj s ASN 393 Cb -0.01 -2.25 -0.03 0.00 -1.45 0.00 0.00 41.25 37.51 2nwj s ASN 393 CO -0.09 -0.05 -0.21 -0.76 -3.72 0.00 0.00 177.10 172.27 2nwj s LEU 394 N 1.06 2.23 0.66 3.21 1.43 0.15 -4.89 118.68 122.52 2nwj s LEU 394 Ca 0.22 -0.60 -0.14 0.00 -1.03 0.00 0.00 54.13 52.57 2nwj s LEU 394 Cb -0.15 -0.94 -0.00 0.00 0.03 0.00 0.00 46.19 45.13 2nwj s LEU 394 CO 0.08 0.11 1.09 -0.62 0.23 0.00 0.00 176.35 177.25 2nwj s ASP 395 N -1.54 5.22 0.42 2.29 2.15 -1.26 -1.15 116.67 122.81 2nwj s ASP 395 Ca 0.07 1.92 0.16 0.00 0.43 0.00 0.00 52.55 55.13 2nwj s ASP 395 Cb -0.09 -2.54 1.06 0.00 -0.30 0.00 0.00 42.92 41.04 2nwj s ASP 395 CO 0.03 -1.55 1.90 1.23 -0.17 0.00 0.00 175.17 176.61 2nwj h GLY 396 N -0.04 0.74 1.36 2.66 0.00 -1.83 -0.18 103.07 105.79 2nwj h GLY 396 Ca -0.46 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 46.64 2nwj h GLY 396 CO 0.55 0.05 0.14 -1.33 0.00 0.00 0.00 176.54 175.94 2nwj h GLY 397 N 0.42 0.87 2.00 4.60 0.00 -1.89 -1.45 103.07 107.61 2nwj h GLY 397 Ca 0.39 -0.49 -0.18 0.00 0.00 0.00 0.00 47.33 47.06 2nwj h GLY 397 CO -0.13 0.46 -0.84 -0.97 0.00 0.00 0.00 176.54 175.06 2nwj h TYR 398 N 0.78 0.00 -0.39 5.60 0.05 -1.23 -2.88 116.97 118.90 2nwj h TYR 398 Ca 0.17 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.91 2nwj h TYR 398 Cb 0.27 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 2nwj h TYR 398 CO 0.02 0.84 0.04 0.82 -1.05 0.00 0.00 178.16 178.82 2nwj h ILE 399 N 0.00 1.20 0.20 -2.88 1.08 -0.55 0.18 117.51 116.74 2nwj h ILE 399 Ca -0.01 -0.78 -0.01 0.00 -0.39 0.00 0.00 64.86 63.67 2nwj h ILE 399 Cb 1.54 0.86 0.00 0.00 -3.07 0.00 0.00 36.82 36.15 2nwj h ILE 399 CO 0.11 0.27 -0.09 0.22 -0.69 0.00 0.00 178.15 177.97 2nwj h TYR 400 N 0.58 -0.24 -0.03 1.37 3.20 -1.15 0.43 116.97 121.13 2nwj h TYR 400 Ca 0.13 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.02 2nwj h TYR 400 Cb 0.31 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.63 2nwj h TYR 400 CO 0.01 -0.03 -0.14 1.15 -1.64 0.00 0.00 178.16 177.52 2nwj h THR 401 N -0.42 0.66 -0.50 1.81 2.02 -1.23 -1.60 112.91 113.65 2nwj h THR 401 Ca -0.03 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.16 2nwj h THR 401 Cb 0.32 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 2nwj h THR 401 CO 0.04 0.00 0.33 0.00 0.37 0.00 0.00 175.52 176.26 2nwj h ALA 402 N 0.77 0.63 -0.74 6.16 0.00 -0.56 -2.88 119.26 122.64 2nwj h ALA 402 Ca 0.06 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2nwj h ALA 402 Cb 0.29 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2nwj h ALA 402 CO -0.16 0.07 0.49 0.78 0.00 0.00 0.00 179.25 180.44 2nwj h GLY 403 N 0.67 1.04 2.00 0.00 0.00 0.23 0.43 103.07 107.44 2nwj h GLY 403 Ca 0.18 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 2nwj h GLY 403 CO -0.04 0.35 -0.08 0.50 0.00 0.00 0.00 176.54 177.27 2nwj h LYS 404 N 0.97 0.00 -0.21 4.80 1.79 -1.09 -1.39 116.57 121.44 2nwj h LYS 404 Ca 0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.75 2nwj h LYS 404 Cb -0.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 2nwj h LYS 404 CO -0.07 0.08 0.00 0.00 -1.08 0.00 0.00 179.45 178.38 2nwj n GLY 406 N 1.28 0.56 3.81 0.00 0.00 -0.52 -5.06 105.19 105.25 2nwj n GLY 406 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2nwj n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nwj s LEU 407 N 0.00 3.78 0.22 0.99 1.43 -0.71 -4.16 118.68 120.23 2nwj s LEU 407 Ca 0.00 1.81 0.09 0.00 -1.03 0.00 0.00 54.13 55.00 2nwj s LEU 407 Cb 0.00 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.63 2nwj s LEU 407 CO 0.00 -0.72 -0.17 0.68 0.23 0.00 0.00 176.35 176.37 2nwj s VAL 408 N -2.19 1.99 0.35 -1.59 -7.23 0.25 -3.91 120.40 108.07 2nwj s VAL 408 Ca 0.64 -2.23 -0.29 0.00 -1.81 0.00 0.00 61.98 58.29 2nwj s VAL 408 Cb -0.14 -2.10 -0.11 0.00 0.56 0.00 0.00 36.38 34.59 2nwj s VAL 408 CO 0.23 -0.49 1.45 -2.84 -0.31 0.00 0.00 175.10 173.14 2nwj s PRO 409 N -3.48 4.18 0.00 4.82 0.02 -1.26 -1.73 135.00 137.56 2nwj s PRO 409 Ca 0.24 2.47 0.00 0.00 0.02 0.00 0.00 61.00 63.73 2nwj s PRO 409 Cb -0.03 -3.01 0.00 0.00 0.02 0.00 0.00 34.50 31.48 2nwj s PRO 409 CO 0.09 -0.45 0.00 0.28 -0.33 0.00 0.00 177.00 176.59 2nwj n VAL 410 N 0.88 0.00 -3.72 3.83 0.31 0.27 -4.87 118.33 115.02 2nwj n VAL 410 Ca 0.02 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.21 2nwj n VAL 410 Cb 0.40 -1.16 -0.08 0.00 -0.91 0.00 0.00 33.84 32.08 2nwj n VAL 410 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2nwj s LEU 411 N -5.62 0.62 0.12 7.52 1.43 -1.24 -4.52 118.68 116.99 2nwj s LEU 411 Ca 0.00 0.19 0.08 0.00 -1.03 0.00 0.00 54.13 53.37 2nwj s LEU 411 Cb 0.00 1.46 -0.04 0.00 0.03 0.00 0.00 46.19 47.64 2nwj s LEU 411 CO 0.00 -0.47 -0.13 0.00 0.23 0.00 0.00 176.35 175.98 2nwj s ALA 412 N -1.29 2.85 0.29 4.21 0.00 -0.45 -0.13 121.76 127.24 2nwj s ALA 412 Ca -0.13 -1.33 -0.29 0.00 0.00 0.00 0.00 51.96 50.21 2nwj s ALA 412 Cb -0.04 -0.77 -0.10 0.00 0.00 0.00 0.00 23.12 22.21 2nwj s ALA 412 CO 0.05 0.59 1.28 -1.21 0.00 0.00 0.00 175.76 176.47 2nwj s GLU 413 N -2.31 4.41 -0.17 0.00 2.02 -0.08 0.34 118.70 122.91 2nwj s GLU 413 Ca 0.21 2.12 -0.00 0.00 0.02 0.00 0.00 54.97 57.31 2nwj s GLU 413 Cb -0.10 -3.12 0.04 0.00 0.10 0.00 0.00 34.13 31.05 2nwj s GLU 413 CO 0.13 -0.14 -0.05 1.21 0.02 0.00 0.00 175.26 176.42 2nwj s ASN 414 N -0.35 2.94 0.17 -0.19 3.04 -0.08 -4.74 114.94 115.73 2nwj s ASN 414 Ca 0.50 -0.73 -0.26 0.00 0.04 0.00 0.00 52.86 52.41 2nwj s ASN 414 Cb -0.38 -0.92 -0.08 0.00 -1.54 0.00 0.00 41.25 38.33 2nwj s ASN 414 CO 0.48 -0.20 0.81 -0.60 -3.04 0.00 0.00 177.10 174.55 2nwj s ARG 415 N 1.62 4.62 -0.94 0.43 3.52 -1.26 -0.24 118.95 126.70 2nwj s ARG 415 Ca -0.00 1.22 -0.24 0.00 -0.13 0.00 0.00 55.73 56.58 2nwj s ARG 415 Cb -0.16 -3.27 -0.23 0.00 -1.56 0.00 0.00 34.95 29.73 2nwj s ARG 415 CO -0.08 0.54 2.51 1.63 -0.81 0.00 0.00 175.30 179.10 2nwj n LYS 416 N 1.65 0.13 -3.96 5.12 5.02 -1.25 -4.82 118.16 120.05 2nwj n LYS 416 Ca -0.05 -0.04 -0.24 0.00 -2.02 0.00 0.00 58.31 55.96 2nwj n LYS 416 Cb 0.48 -1.66 -0.17 0.00 -0.02 0.00 0.00 35.03 33.66 2nwj n LYS 416 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2nwj s SER 417 N 6.92 1.74 0.45 4.39 0.15 -1.26 -5.03 113.70 121.06 2nwj s SER 417 Ca 1.29 -0.20 0.27 0.00 0.70 0.00 0.00 55.95 58.02 2nwj s SER 417 Cb -0.98 -0.64 1.48 0.00 -1.71 0.00 0.00 66.02 64.17 2nwj s SER 417 CO 0.47 -0.12 1.81 0.28 1.20 0.00 0.00 173.24 176.88 2nwj h SER 418 N 7.97 0.00 -4.09 5.45 0.02 -1.96 -3.45 113.55 117.50 2nwj h SER 418 Ca -0.28 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.15 2nwj h SER 418 Cb 1.14 0.00 0.11 0.00 0.14 0.00 0.00 62.40 63.78 2nwj h SER 418 CO 0.37 0.00 0.47 -0.54 -1.14 0.00 0.00 176.83 175.99 2nwj s LYS 419 N -3.73 3.06 -0.14 3.45 -0.14 -1.26 -4.10 119.74 116.89 2nwj s LYS 419 Ca -0.03 1.81 -0.00 0.00 -1.36 0.00 0.00 55.97 56.39 2nwj s LYS 419 Cb 0.08 -1.97 -0.00 0.00 -1.68 0.00 0.00 37.83 34.26 2nwj s LYS 419 CO 0.25 -1.13 0.13 0.72 -0.76 0.00 0.00 175.35 174.55 2nwj n HIS 420 N -1.48 -0.48 0.00 3.18 8.25 -1.26 -4.96 115.22 118.46 2nwj n HIS 420 Ca 0.13 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 2nwj n HIS 420 Cb 0.50 -2.13 0.00 0.00 1.12 0.00 0.00 29.99 29.48 2nwj n HIS 420 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2nwj n SER 421 N -1.28 0.00 -1.60 0.41 7.64 -1.26 -2.73 113.62 114.80 2nwj n SER 421 Ca -0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 2nwj n SER 421 Cb 0.50 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.79 2nwj n SER 421 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2nwj n SER 422 N 0.00 3.41 -4.59 6.43 2.88 -1.26 -4.89 113.62 115.60 2nwj n SER 422 Ca 0.00 -3.57 -0.41 0.00 -1.33 0.00 0.00 58.87 53.56 2nwj n SER 422 Cb 0.00 -0.41 -0.03 0.00 -0.75 0.00 0.00 64.21 63.02 2nwj n SER 422 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2nwj s LEU 423 N -3.32 3.44 -0.02 2.46 2.96 -1.10 -4.82 118.68 118.28 2nwj s LEU 423 Ca 0.44 1.36 -0.39 0.00 -0.22 0.00 0.00 54.13 55.32 2nwj s LEU 423 Cb 0.39 -3.26 -0.18 0.00 0.50 0.00 0.00 46.19 43.64 2nwj s LEU 423 CO -0.01 -2.03 1.34 -0.67 -1.32 0.00 0.00 176.35 173.65 2nwj n ASP 424 N 11.83 1.30 0.00 3.68 2.03 -1.26 -4.24 116.55 129.89 2nwj n ASP 424 Ca 0.27 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.71 2nwj n ASP 424 Cb 0.48 -1.10 0.00 0.00 -0.72 0.00 0.00 41.12 39.78 2nwj n ASP 424 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2nwj h VAL 426 N 0.00 0.10 -0.00 0.00 2.07 -1.88 -2.65 116.25 113.89 2nwj h VAL 426 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2nwj h VAL 426 Cb 0.00 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2nwj h VAL 426 CO 0.00 0.02 -0.63 0.18 0.02 0.00 0.00 177.57 177.16 2nwj n LEU 427 N -3.19 0.69 -4.73 2.57 4.77 0.16 -0.63 117.00 116.64 2nwj n LEU 427 Ca -0.02 -0.51 -0.41 0.00 -0.03 0.00 0.00 56.01 55.04 2nwj n LEU 427 Cb 0.18 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2nwj n LEU 427 CO 0.24 0.17 0.96 -0.60 -1.33 0.00 0.00 177.39 176.83 2nwj s ARG 428 N -2.27 4.41 0.43 3.23 3.52 -0.77 -4.95 118.95 122.56 2nwj s ARG 428 Ca 0.06 1.99 -0.23 0.00 -0.13 0.00 0.00 55.73 57.42 2nwj s ARG 428 Cb 0.10 -3.22 -0.08 0.00 -1.56 0.00 0.00 34.95 30.19 2nwj s ARG 428 CO 0.55 -0.22 1.10 -1.25 -0.81 0.00 0.00 175.30 174.67 2nwj s PRO 429 N 0.01 3.96 0.55 5.12 0.04 -1.26 -4.84 135.00 138.57 2nwj s PRO 429 Ca 0.56 1.61 -0.17 0.00 0.04 0.00 0.00 61.00 63.04 2nwj s PRO 429 Cb -0.35 -2.44 -0.05 0.00 0.04 0.00 0.00 34.50 31.69 2nwj s PRO 429 CO 0.37 -0.34 1.04 0.95 0.04 0.00 0.00 177.00 179.06 2nwj s THR 430 N -1.64 3.87 -0.47 1.26 -4.23 -1.26 -4.97 115.64 108.20 2nwj s THR 430 Ca 0.61 0.97 0.07 0.00 -1.18 0.00 0.00 61.69 62.15 2nwj s THR 430 Cb -0.24 -3.44 -0.03 0.00 1.34 0.00 0.00 72.50 70.13 2nwj s THR 430 CO 0.30 -0.45 0.40 -0.62 -0.54 0.00 0.00 174.62 173.71 2nwj n GLU 431 N -1.68 3.55 0.00 3.99 1.02 -1.26 -5.08 120.64 121.17 2nwj n GLU 431 Ca 0.09 -0.26 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 2nwj n GLU 431 Cb 0.53 -0.89 0.00 0.00 -0.02 0.00 0.00 31.44 31.05 2nwj n GLU 431 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2nwj n GLY 432 N 0.94 -1.07 3.31 0.62 0.00 -1.26 -4.93 105.19 102.81 2nwj n GLY 432 Ca 0.02 -1.63 -0.17 0.00 0.00 0.00 0.00 46.02 44.24 2nwj n GLY 432 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2nwj s TYR 433 N -1.30 1.58 -0.34 1.61 -0.85 -0.20 -4.89 117.35 112.96 2nwj s TYR 433 Ca 0.00 -0.62 -0.20 0.00 -0.52 0.00 0.00 57.07 55.73 2nwj s TYR 433 Cb 0.00 -0.75 -0.00 0.00 0.38 0.00 0.00 41.96 41.58 2nwj s TYR 433 CO 0.00 0.28 0.61 -0.51 -1.52 0.00 0.00 175.55 174.41 2nwj s LEU 434 N -3.22 4.23 -0.01 -3.49 1.43 -1.26 0.29 118.68 116.65 2nwj s LEU 434 Ca 0.20 0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 53.20 2nwj s LEU 434 Cb -0.00 -2.76 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 2nwj s LEU 434 CO 0.05 -0.54 1.01 0.00 0.23 0.00 0.00 176.35 177.10 2nwj s ALA 435 N 2.62 3.22 0.22 4.21 0.00 -0.30 -0.48 121.76 131.26 2nwj s ALA 435 Ca 0.24 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.77 2nwj s ALA 435 Cb -0.15 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.55 2nwj s ALA 435 CO 0.14 -0.31 -0.00 0.14 0.00 0.00 0.00 175.76 175.72 2nwj s VAL 436 N 1.19 0.97 -0.18 0.00 -7.23 0.17 -0.14 120.40 115.18 2nwj s VAL 436 Ca 0.52 -2.03 -0.01 0.00 -1.81 0.00 0.00 61.98 58.66 2nwj s VAL 436 Cb -0.21 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.41 2nwj s VAL 436 CO 0.27 -0.34 -0.14 0.00 -0.31 0.00 0.00 175.10 174.58 2nwj s ALA 437 N -3.46 2.53 -0.06 1.32 0.00 -1.26 -2.29 121.76 118.54 2nwj s ALA 437 Ca 0.28 -1.13 0.04 0.00 0.00 0.00 0.00 51.96 51.15 2nwj s ALA 437 Cb 0.06 -1.33 -0.02 0.00 0.00 0.00 0.00 23.12 21.82 2nwj s ALA 437 CO 0.08 -0.22 -0.18 0.08 0.00 0.00 0.00 175.76 175.52 2nwj s VAL 438 N 1.12 2.70 0.31 0.00 1.01 0.10 -0.63 120.40 125.02 2nwj s VAL 438 Ca 0.01 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.17 2nwj s VAL 438 Cb -0.14 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 2nwj s VAL 438 CO -0.05 0.57 0.12 0.68 0.00 0.00 0.00 175.10 176.43 2nwj s VAL 439 N -0.40 0.57 0.11 2.92 -7.23 -0.19 -0.87 120.40 115.30 2nwj s VAL 439 Ca 0.04 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.97 2nwj s VAL 439 Cb -0.12 -2.56 -0.07 0.00 0.56 0.00 0.00 36.38 34.19 2nwj s VAL 439 CO 0.02 0.00 0.71 -0.54 -0.31 0.00 0.00 175.10 174.98 2nwj s LYS 440 N -3.87 4.45 0.25 4.82 -0.14 -1.26 -1.36 119.74 122.63 2nwj s LYS 440 Ca 0.34 1.01 -0.05 0.00 -1.36 0.00 0.00 55.97 55.91 2nwj s LYS 440 Cb 0.06 -3.28 0.30 0.00 -1.68 0.00 0.00 37.83 33.22 2nwj s LYS 440 CO 0.16 0.51 1.90 -0.22 -0.76 0.00 0.00 175.35 176.94 2nwj h LYS 441 N 4.76 1.18 0.00 1.68 3.64 -0.86 -1.07 116.57 125.91 2nwj h LYS 441 Ca -0.47 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 58.84 2nwj h LYS 441 Cb 1.21 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.76 2nwj h LYS 441 CO 0.67 0.78 -0.00 0.00 -2.27 0.00 0.00 179.45 178.63 2nwj h ALA 442 N 1.39 1.22 -0.77 5.00 0.00 -1.93 -3.20 119.26 120.97 2nwj h ALA 442 Ca 0.38 -0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.57 2nwj h ALA 442 Cb -0.02 -0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.67 2nwj h ALA 442 CO -0.12 0.00 2.28 -1.71 0.00 0.00 0.00 179.25 179.70 2nwj n ASN 443 N -3.40 4.71 -4.77 0.00 2.85 -0.41 -4.97 115.26 109.27 2nwj n ASN 443 Ca -0.03 -2.96 -0.35 0.00 -0.11 0.00 0.00 54.58 51.13 2nwj n ASN 443 Cb 0.07 -1.61 0.01 0.00 1.24 0.00 0.00 39.78 39.49 2nwj n ASN 443 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2nwj s GLU 444 N 2.32 3.32 0.00 1.20 2.02 -1.21 -3.39 118.70 122.96 2nwj s GLU 444 Ca 0.46 1.57 0.00 0.00 0.02 0.00 0.00 54.97 57.02 2nwj s GLU 444 Cb 0.07 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 32.30 2nwj s GLU 444 CO -0.01 -0.87 0.00 0.41 0.02 0.00 0.00 175.26 174.81 2nwj n GLY 445 N 0.05 2.66 3.68 -1.39 0.00 -1.26 -4.99 105.19 103.94 2nwj n GLY 445 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2nwj n GLY 445 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2nwj s LEU 446 N 0.00 4.20 0.34 0.99 2.96 -1.22 -4.87 118.68 121.08 2nwj s LEU 446 Ca 0.00 1.34 0.05 0.00 -0.22 0.00 0.00 54.13 55.30 2nwj s LEU 446 Cb 0.00 -3.40 -0.03 0.00 0.50 0.00 0.00 46.19 43.26 2nwj s LEU 446 CO 0.00 -0.44 0.19 0.42 -1.32 0.00 0.00 176.35 175.20 2nwj s THR 447 N 2.17 0.28 0.48 3.68 -4.23 -1.26 -4.96 115.64 111.80 2nwj s THR 447 Ca 0.43 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.11 2nwj s THR 447 Cb -0.17 -2.46 0.34 0.00 1.34 0.00 0.00 72.50 71.55 2nwj s THR 447 CO 0.14 0.00 2.01 -0.25 -0.54 0.00 0.00 174.62 175.98 2nwj h TRP 448 N 2.07 0.24 -0.00 3.99 2.91 -1.81 -1.47 115.95 121.87 2nwj h TRP 448 Ca -0.31 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.72 2nwj h TRP 448 Cb 1.25 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 29.82 2nwj h TRP 448 CO 1.39 0.11 -0.03 0.09 -1.03 0.00 0.00 178.44 178.97 2nwj n ASN 449 N -4.45 0.40 -0.97 2.65 3.02 -1.26 -3.61 115.26 111.03 2nwj n ASN 449 Ca 0.08 -0.86 0.04 0.00 -0.03 0.00 0.00 54.58 53.80 2nwj n ASN 449 Cb 0.39 -0.06 0.15 0.00 -0.61 0.00 0.00 39.78 39.65 2nwj n ASN 449 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2nwj n SER 450 N -0.82 1.71 0.14 6.41 3.41 -0.56 -4.78 113.62 119.13 2nwj n SER 450 Ca 0.19 -3.36 0.01 0.00 -0.26 0.00 0.00 58.87 55.45 2nwj n SER 450 Cb 0.22 -0.46 0.09 0.00 -0.26 0.00 0.00 64.21 63.80 2nwj n SER 450 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2nwj h LEU 451 N 1.11 0.00 -9.60 1.04 3.38 -1.61 -3.44 115.31 106.18 2nwj h LEU 451 Ca -0.04 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.34 2nwj h LEU 451 Cb 1.27 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.12 2nwj h LEU 451 CO 0.07 0.58 0.47 1.17 0.09 0.00 0.00 178.44 180.82 2nwj n LYS 452 N -3.38 1.88 -0.91 1.13 4.81 -1.26 -1.78 118.16 118.65 2nwj n LYS 452 Ca 0.01 0.66 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 2nwj n LYS 452 Cb 0.71 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.53 2nwj n LYS 452 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2nwj n ASP 453 N 1.50 -2.67 -4.60 3.14 10.43 0.04 -4.95 116.55 119.44 2nwj n ASP 453 Ca 0.09 0.00 -0.24 0.00 2.57 0.00 0.00 54.79 57.21 2nwj n ASP 453 Cb 0.33 -1.62 0.12 0.00 1.84 0.00 0.00 41.12 41.79 2nwj n ASP 453 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2nwj s LYS 454 N -0.75 1.53 -0.17 -1.24 -0.14 -0.74 -3.72 119.74 114.51 2nwj s LYS 454 Ca 0.00 -1.01 -0.08 0.00 -1.36 0.00 0.00 55.97 53.52 2nwj s LYS 454 Cb 0.00 -2.26 -0.04 0.00 -1.68 0.00 0.00 37.83 33.85 2nwj s LYS 454 CO 0.00 -1.59 0.10 0.15 -0.76 0.00 0.00 175.35 173.25 2nwj s LYS 455 N -5.25 3.88 0.18 1.68 1.02 -1.26 -0.83 119.74 119.15 2nwj s LYS 455 Ca 0.67 -0.25 0.11 0.00 0.02 0.00 0.00 55.97 56.52 2nwj s LYS 455 Cb -0.05 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 2nwj s LYS 455 CO 0.46 0.43 -0.23 -1.54 -0.92 0.00 0.00 175.35 173.55 2nwj s SER 456 N -0.04 3.26 -0.12 2.83 1.04 -0.83 0.73 113.70 120.57 2nwj s SER 456 Ca 0.09 -0.85 0.02 0.00 0.48 0.00 0.00 55.95 55.68 2nwj s SER 456 Cb -0.12 -0.23 0.01 0.00 0.10 0.00 0.00 66.02 65.79 2nwj s SER 456 CO 0.00 0.10 -0.17 0.00 0.98 0.00 0.00 173.24 174.15 2nwj s HIS 458 N 1.01 2.18 0.09 0.00 3.76 -0.04 -1.19 115.29 121.09 2nwj s HIS 458 Ca -0.05 -0.39 -0.27 0.00 -0.15 0.00 0.00 55.06 54.19 2nwj s HIS 458 Cb -0.15 -1.23 -0.15 0.00 1.11 0.00 0.00 32.58 32.16 2nwj s HIS 458 CO -0.03 0.22 1.68 1.79 -0.85 0.00 0.00 174.74 177.55 2nwj h THR 459 N 4.07 0.63 -1.73 1.30 1.35 -1.73 -3.40 112.91 113.40 2nwj h THR 459 Ca -0.48 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 65.48 2nwj h THR 459 Cb 1.16 0.63 -0.21 0.00 -1.73 0.00 0.00 68.15 68.00 2nwj h THR 459 CO 0.41 0.00 0.55 0.00 -0.25 0.00 0.00 175.52 176.23 2nwj s ALA 460 N -6.12 -1.91 0.58 6.62 0.00 -1.26 -1.12 121.76 118.55 2nwj s ALA 460 Ca -0.15 1.45 -0.21 0.00 0.00 0.00 0.00 51.96 53.05 2nwj s ALA 460 Cb 0.05 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2nwj s ALA 460 CO 0.64 -0.42 1.35 0.28 0.00 0.00 0.00 175.76 177.62 2nwj n VAL 461 N 0.44 4.20 -0.45 0.00 0.31 0.19 -2.69 118.33 120.32 2nwj n VAL 461 Ca -0.09 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 2nwj n VAL 461 Cb 0.59 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 2nwj n VAL 461 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2nwj n ASP 462 N -1.29 0.00 -4.90 4.52 8.00 -1.26 -4.95 116.55 116.67 2nwj n ASP 462 Ca 0.12 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.34 2nwj n ASP 462 Cb 0.46 -0.24 -0.01 0.00 -0.02 0.00 0.00 41.12 41.30 2nwj n ASP 462 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2nwj s ARG 463 N -0.06 3.62 -0.00 -1.24 0.52 -1.10 -4.03 118.95 116.66 2nwj s ARG 463 Ca 0.00 0.30 -0.25 0.00 -0.52 0.00 0.00 55.73 55.26 2nwj s ARG 463 Cb 0.00 -2.38 -0.19 0.00 0.52 0.00 0.00 34.95 32.90 2nwj s ARG 463 CO 0.00 -0.16 1.33 1.15 0.02 0.00 0.00 175.30 177.64 2nwj h THR 464 N 0.50 1.26 0.08 0.02 2.02 -1.92 0.22 112.91 115.09 2nwj h THR 464 Ca -0.47 -0.93 -0.32 0.00 0.77 0.00 0.00 66.41 65.47 2nwj h THR 464 Cb 1.20 1.88 -0.02 0.00 -1.74 0.00 0.00 68.15 69.46 2nwj h THR 464 CO 0.62 0.24 -1.71 0.00 0.37 0.00 0.00 175.52 175.04 2nwj h ALA 465 N 0.50 0.47 0.00 6.16 0.00 -1.90 -2.30 119.26 122.19 2nwj h ALA 465 Ca -0.00 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 53.61 2nwj h ALA 465 Cb 0.42 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2nwj h ALA 465 CO 0.01 1.32 0.00 0.78 0.00 0.00 0.00 179.25 181.36 2nwj h GLY 466 N 2.06 0.00 0.00 0.00 0.00 -1.67 -3.40 103.07 100.06 2nwj h GLY 466 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2nwj h GLY 466 CO 0.12 0.00 0.00 1.87 0.00 0.00 0.00 176.54 178.53 2nwj n TRP 467 N -2.56 -2.33 -0.14 5.60 -0.00 -0.46 -4.19 117.44 113.35 2nwj n TRP 467 Ca 0.04 0.51 -0.03 0.00 -0.00 0.00 0.00 57.50 58.02 2nwj n TRP 467 Cb 0.41 1.10 0.04 0.00 -0.00 0.00 0.00 31.31 32.87 2nwj n TRP 467 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 2nwj h ASN 468 N 0.00 -0.21 0.57 5.87 2.35 -0.72 0.12 115.58 123.56 2nwj h ASN 468 Ca 0.00 0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 2nwj h ASN 468 Cb 0.00 0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.57 2nwj h ASN 468 CO 0.00 -0.07 -0.27 0.40 -1.65 0.00 0.00 177.43 175.84 2nwj h ILE 469 N 0.10 0.11 -0.34 2.81 1.08 -1.65 -0.85 117.51 118.78 2nwj h ILE 469 Ca 0.23 -0.43 -0.00 0.00 -0.39 0.00 0.00 64.86 64.26 2nwj h ILE 469 Cb 0.34 0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 34.23 2nwj h ILE 469 CO -0.39 0.02 0.20 1.55 -0.69 0.00 0.00 178.15 178.84 2nwj h PRO 470 N -1.15 0.46 -0.15 2.37 0.13 -1.76 -0.47 132.00 131.44 2nwj h PRO 470 Ca -0.08 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 64.92 2nwj h PRO 470 Cb 0.62 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 2nwj h PRO 470 CO 0.13 0.36 -0.28 0.52 -0.23 0.00 0.00 178.00 178.51 2nwj h MET 471 N 0.43 0.28 -0.24 0.86 2.86 -1.08 0.42 114.93 118.46 2nwj h MET 471 Ca 0.12 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 2nwj h MET 471 Cb 0.03 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2nwj h MET 471 CO -0.02 0.54 0.05 0.78 1.06 0.00 0.00 176.91 179.32 2nwj h GLY 472 N 1.02 0.41 1.15 8.32 0.00 -0.83 0.19 103.07 113.32 2nwj h GLY 472 Ca 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 2nwj h GLY 472 CO 0.05 0.25 0.37 1.41 0.00 0.00 0.00 176.54 178.61 2nwj h LEU 473 N 0.21 1.00 -0.14 3.11 3.38 -0.69 -0.91 115.31 121.27 2nwj h LEU 473 Ca 0.07 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 2nwj h LEU 473 Cb 0.29 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2nwj h LEU 473 CO 0.00 0.85 -0.32 0.40 0.09 0.00 0.00 178.44 179.45 2nwj h ILE 474 N 1.09 1.36 -0.51 1.22 1.08 -0.67 -1.05 117.51 120.04 2nwj h ILE 474 Ca 0.27 -1.60 0.02 0.00 -0.39 0.00 0.00 64.86 63.16 2nwj h ILE 474 Cb 0.11 2.02 -0.03 0.00 -3.07 0.00 0.00 36.82 35.86 2nwj h ILE 474 CO -0.03 0.48 0.32 0.58 -0.69 0.00 0.00 178.15 178.80 2nwj h VAL 475 N 0.08 1.08 0.08 1.67 2.07 -0.53 0.15 116.25 120.85 2nwj h VAL 475 Ca -0.00 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.32 2nwj h VAL 475 Cb 0.93 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 2nwj h VAL 475 CO 0.07 0.12 -0.47 0.78 0.02 0.00 0.00 177.57 178.08 2nwj h ASN 476 N 0.64 -1.43 0.09 0.57 -0.26 -1.10 0.24 115.58 114.33 2nwj h ASN 476 Ca 0.20 0.16 -0.11 0.00 -0.56 0.00 0.00 56.30 55.99 2nwj h ASN 476 Cb -0.01 0.54 -0.01 0.00 -1.06 0.00 0.00 38.32 37.77 2nwj h ASN 476 CO -0.08 -0.52 -0.38 1.56 -1.06 0.00 0.00 177.43 176.96 2nwj h GLN 477 N -0.68 0.39 -0.00 0.81 4.20 -0.84 -2.76 115.11 116.23 2nwj h GLN 477 Ca 0.02 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2nwj h GLN 477 Cb 0.71 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 2nwj h GLN 477 CO -0.29 0.71 -0.29 0.25 -0.67 0.00 0.00 178.83 178.55 2nwj n THR 478 N -4.04 0.00 -0.96 -0.54 -2.24 0.49 -4.90 114.28 102.08 2nwj n THR 478 Ca -0.01 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2nwj n THR 478 Cb 0.48 0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 2nwj n THR 478 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nwj n GLY 479 N 1.39 0.07 3.33 3.38 0.00 0.81 -4.95 105.19 109.23 2nwj n GLY 479 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 2nwj n GLY 479 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2nwj s SER 480 N -2.01 2.99 0.00 1.61 0.15 -1.07 -4.99 113.70 110.38 2nwj s SER 480 Ca 0.00 -0.63 0.29 0.00 0.70 0.00 0.00 55.95 56.31 2nwj s SER 480 Cb 0.00 -0.23 1.23 0.00 -1.71 0.00 0.00 66.02 65.30 2nwj s SER 480 CO 0.00 0.19 1.85 0.00 1.20 0.00 0.00 173.24 176.49 2nwj n ALA 482 N -0.81 6.41 0.76 0.00 0.00 -1.26 -4.51 120.51 121.09 2nwj n ALA 482 Ca 0.16 -2.36 0.08 0.00 0.00 0.00 0.00 53.44 51.32 2nwj n ALA 482 Cb 0.28 -2.75 0.41 0.00 0.00 0.00 0.00 19.45 17.38 2nwj n ALA 482 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2nwj n PHE 483 N 3.05 0.00 1.53 0.00 -0.00 -1.26 -0.71 117.46 120.07 2nwj n PHE 483 Ca 0.54 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 58.14 2nwj n PHE 483 Cb 0.56 -0.32 0.72 0.00 -0.00 0.00 0.00 39.48 40.45 2nwj n PHE 483 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 2nwj n ASP 484 N -1.32 0.26 -0.04 5.98 5.75 -1.26 -3.46 116.55 122.46 2nwj n ASP 484 Ca 0.07 -0.55 0.04 0.00 -0.01 0.00 0.00 54.79 54.34 2nwj n ASP 484 Cb 0.14 -0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.07 2nwj n ASP 484 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2nwj n GLU 485 N -1.03 4.10 0.35 0.11 1.02 0.11 -4.74 120.64 120.56 2nwj n GLU 485 Ca 0.16 -0.11 -0.16 0.00 -0.02 0.00 0.00 57.16 57.03 2nwj n GLU 485 Cb 0.24 -0.88 -0.08 0.00 -0.02 0.00 0.00 31.44 30.69 2nwj n GLU 485 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2nwj h PHE 486 N 0.18 -0.81 -3.47 -0.32 3.57 -1.58 -3.43 116.94 111.07 2nwj h PHE 486 Ca 0.00 -0.02 -0.53 0.00 3.53 0.00 0.00 57.97 60.95 2nwj h PHE 486 Cb 0.19 0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 2nwj h PHE 486 CO 0.00 -0.47 0.02 -0.06 -2.23 0.00 0.00 178.31 175.57 2nwj s PHE 487 N -5.39 3.60 0.17 0.41 0.08 -1.26 -0.78 117.98 114.81 2nwj s PHE 487 Ca -0.16 1.22 -0.13 0.00 0.12 0.00 0.00 56.93 57.98 2nwj s PHE 487 Cb 0.02 -2.50 0.06 0.00 -0.57 0.00 0.00 43.02 40.04 2nwj s PHE 487 CO 0.55 0.36 1.75 0.66 -0.10 0.00 0.00 175.22 178.44 2nwj h SER 488 N 3.37 0.73 -5.11 1.36 4.64 -1.07 -3.45 113.55 114.03 2nwj h SER 488 Ca -0.48 -0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 60.63 2nwj h SER 488 Cb 1.19 -0.19 -0.15 0.00 -0.31 0.00 0.00 62.40 62.95 2nwj h SER 488 CO 0.66 0.65 -0.26 -1.10 -0.87 0.00 0.00 176.83 175.91 2nwj s GLN 489 N -5.71 0.89 0.26 4.77 -0.21 -1.25 -4.91 119.66 113.50 2nwj s GLN 489 Ca -0.13 -0.77 -0.15 0.00 0.02 0.00 0.00 55.36 54.33 2nwj s GLN 489 Cb 0.12 0.38 0.00 0.00 1.00 0.00 0.00 33.01 34.51 2nwj s GLN 489 CO 0.78 -0.30 0.56 -1.12 -2.12 0.00 0.00 175.29 173.08 2nwj s SER 490 N -2.62 -0.12 -0.27 5.90 0.01 0.22 -1.96 113.70 114.86 2nwj s SER 490 Ca 0.02 -0.85 0.01 0.00 1.31 0.00 0.00 55.95 56.43 2nwj s SER 490 Cb 0.02 0.64 0.08 0.00 0.21 0.00 0.00 66.02 66.97 2nwj s SER 490 CO -0.09 -1.22 -0.00 0.00 0.41 0.00 0.00 173.24 172.34 2nwj s ALA 492 N 1.35 2.45 0.10 0.00 0.00 0.10 -0.86 121.76 124.90 2nwj s ALA 492 Ca 0.01 -2.99 -0.36 0.00 0.00 0.00 0.00 51.96 48.62 2nwj s ALA 492 Cb -0.19 -1.87 -0.17 0.00 0.00 0.00 0.00 23.12 20.89 2nwj s ALA 492 CO -0.10 -2.04 1.22 -2.30 0.00 0.00 0.00 175.76 172.53 2nwj n PRO 493 N 2.69 0.92 0.00 0.00 -0.02 -1.26 -1.70 135.00 135.63 2nwj n PRO 493 Ca 0.21 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2nwj n PRO 493 Cb 0.40 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 2nwj n PRO 493 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nwj n GLY 494 N 2.19 1.23 3.95 -1.23 0.00 0.37 0.54 105.19 112.24 2nwj n GLY 494 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 2nwj n GLY 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nwj s ALA 495 N -2.23 2.65 -0.06 4.61 0.00 -0.69 -4.91 121.76 121.12 2nwj s ALA 495 Ca 0.00 -1.38 -0.30 0.00 0.00 0.00 0.00 51.96 50.28 2nwj s ALA 495 Cb 0.00 -2.54 -0.06 0.00 0.00 0.00 0.00 23.12 20.52 2nwj s ALA 495 CO 0.00 -2.19 1.70 0.34 0.00 0.00 0.00 175.76 175.61 2nwj s ASP 496 N -4.86 6.59 0.55 0.00 2.15 -1.26 -4.89 116.67 114.95 2nwj s ASP 496 Ca 0.72 2.23 0.30 0.00 0.43 0.00 0.00 52.55 56.23 2nwj s ASP 496 Cb -0.04 -2.53 1.46 0.00 -0.30 0.00 0.00 42.92 41.51 2nwj s ASP 496 CO 0.51 -0.99 1.90 -0.65 -0.17 0.00 0.00 175.17 175.77 2nwj h PRO 497 N 9.88 0.00 -0.01 4.34 0.11 -1.93 0.52 132.00 144.92 2nwj h PRO 497 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2nwj h PRO 497 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2nwj h PRO 497 CO 0.96 0.00 -0.12 0.36 -0.21 0.00 0.00 178.00 178.99 2nwj n LYS 498 N -4.11 1.23 -2.28 1.05 2.85 -1.26 -4.66 118.16 110.97 2nwj n LYS 498 Ca 0.14 -0.68 -0.27 0.00 -1.05 0.00 0.00 58.31 56.44 2nwj n LYS 498 Cb 0.82 -1.49 0.04 0.00 -0.65 0.00 0.00 35.03 33.75 2nwj n LYS 498 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2nwj s SER 499 N -2.25 5.54 0.56 -5.58 1.04 0.17 -4.95 113.70 108.23 2nwj s SER 499 Ca 0.32 0.80 0.32 0.00 0.48 0.00 0.00 55.95 57.87 2nwj s SER 499 Cb 0.20 -1.74 1.63 0.00 0.10 0.00 0.00 66.02 66.22 2nwj s SER 499 CO 0.42 -1.14 2.12 0.08 0.98 0.00 0.00 173.24 175.70 2nwj h ARG 500 N -0.29 0.00 0.00 4.02 0.11 -1.90 -1.57 114.38 114.75 2nwj h ARG 500 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2nwj h ARG 500 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 2nwj h ARG 500 CO 0.61 0.07 0.00 1.28 0.10 0.00 0.00 179.97 182.03 2nwj n LEU 501 N -3.42 0.51 -0.10 0.08 4.77 -1.26 -0.61 117.00 116.97 2nwj n LEU 501 Ca -0.02 0.65 0.02 0.00 -0.03 0.00 0.00 56.01 56.63 2nwj n LEU 501 Cb 0.22 -0.60 0.01 0.00 -2.33 0.00 0.00 43.42 40.71 2nwj n LEU 501 CO 0.27 -0.57 0.22 0.00 -1.33 0.00 0.00 177.39 175.99 2nwj h ALA 503 N 0.62 2.34 0.00 0.00 0.00 -0.94 -1.65 119.26 119.63 2nwj h ALA 503 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2nwj h ALA 503 Cb 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2nwj h ALA 503 CO 0.00 -0.63 -0.58 1.28 0.00 0.00 0.00 179.25 179.32 2nwj n LEU 504 N -4.47 0.55 -4.76 0.00 4.32 0.03 -4.93 117.00 107.74 2nwj n LEU 504 Ca 0.20 0.00 -0.36 0.00 -0.02 0.00 0.00 56.01 55.83 2nwj n LEU 504 Cb 0.77 -0.22 0.02 0.00 -1.62 0.00 0.00 43.42 42.37 2nwj n LEU 504 CO 0.32 0.10 0.81 0.00 -1.22 0.00 0.00 177.39 177.41 2nwj n ALA 506 N -1.39 2.65 -0.21 0.00 0.00 -1.26 -4.80 120.51 115.51 2nwj n ALA 506 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2nwj n ALA 506 Cb 0.50 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.71 2nwj n ALA 506 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nwj n GLY 507 N 1.49 -1.18 4.00 0.00 0.00 -1.26 -4.36 105.19 103.88 2nwj n GLY 507 Ca 0.00 -1.24 -0.23 0.00 0.00 0.00 0.00 46.02 44.56 2nwj n GLY 507 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2nwj s ASP 508 N -4.00 4.43 0.45 1.61 1.47 0.17 -1.55 116.67 119.24 2nwj s ASP 508 Ca 0.00 -0.51 0.40 0.00 1.18 0.00 0.00 52.55 53.62 2nwj s ASP 508 Cb 0.00 0.14 1.43 0.00 -0.34 0.00 0.00 42.92 44.15 2nwj s ASP 508 CO 0.00 -1.81 1.31 -0.90 0.68 0.00 0.00 175.17 174.45 2nwj n ASP 509 N -2.75 0.03 -0.98 2.11 5.68 -1.26 1.00 116.55 120.38 2nwj n ASP 509 Ca 0.16 0.89 0.10 0.00 -0.50 0.00 0.00 54.79 55.45 2nwj n ASP 509 Cb 0.61 -0.44 0.17 0.00 -1.14 0.00 0.00 41.12 40.31 2nwj n ASP 509 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2nwj n GLN 510 N -3.74 2.24 -0.32 0.11 6.02 -1.26 -4.96 117.38 115.47 2nwj n GLN 510 Ca 0.37 -2.06 0.00 0.00 -0.01 0.00 0.00 57.00 55.30 2nwj n GLN 510 Cb 1.64 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 31.46 2nwj n GLN 510 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nwj n GLY 511 N 1.26 1.61 3.85 1.08 0.00 0.28 -5.01 105.19 108.25 2nwj n GLY 511 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2nwj n GLY 511 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nwj s LEU 512 N 0.00 3.07 -1.90 0.99 1.43 -1.26 -3.92 118.68 117.10 2nwj s LEU 512 Ca 0.00 1.43 0.00 0.00 -1.03 0.00 0.00 54.13 54.53 2nwj s LEU 512 Cb 0.00 -4.33 0.00 0.00 0.03 0.00 0.00 46.19 41.89 2nwj s LEU 512 CO 0.00 -1.26 0.00 0.47 0.23 0.00 0.00 176.35 175.79 2nwj n ASP 513 N -3.00 -5.40 -4.63 2.29 8.00 -1.26 -0.66 116.55 111.89 2nwj n ASP 513 Ca 0.07 0.29 -0.49 0.00 0.71 0.00 0.00 54.79 55.36 2nwj n ASP 513 Cb 0.55 -4.54 -0.05 0.00 -0.02 0.00 0.00 41.12 37.05 2nwj n ASP 513 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2nwj n LYS 514 N -2.59 1.63 -0.92 -1.24 4.81 -1.25 -1.07 118.16 117.53 2nwj n LYS 514 Ca -0.21 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 2nwj n LYS 514 Cb 0.65 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 33.40 2nwj n LYS 514 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2nwj s VAL 516 N -1.93 2.87 -1.14 0.00 -7.23 -0.23 -0.47 120.40 112.25 2nwj s VAL 516 Ca 0.00 0.86 -0.08 0.00 -1.81 0.00 0.00 61.98 60.94 2nwj s VAL 516 Cb 0.00 -3.54 -0.11 0.00 0.56 0.00 0.00 36.38 33.29 2nwj s VAL 516 CO 0.00 0.19 3.08 -0.81 -0.31 0.00 0.00 175.10 177.25 2nwj n PRO 517 N 0.75 3.31 -4.05 4.82 -0.04 -1.26 -4.42 135.00 134.11 2nwj n PRO 517 Ca 0.00 -2.01 -0.10 0.00 -0.04 0.00 0.00 63.50 61.35 2nwj n PRO 517 Cb 0.43 -2.56 -0.06 0.00 -0.04 0.00 0.00 33.50 31.27 2nwj n PRO 517 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2nwj s ASN 518 N 1.90 0.06 0.00 3.54 2.20 -1.26 -4.53 114.94 116.85 2nwj s ASN 518 Ca 0.67 -1.08 0.01 0.00 -0.94 0.00 0.00 52.86 51.52 2nwj s ASN 518 Cb 0.22 0.55 0.04 0.00 -2.00 0.00 0.00 41.25 40.06 2nwj s ASN 518 CO -0.05 -1.10 0.86 -1.54 -2.94 0.00 0.00 177.10 172.32 2nwj n SER 519 N -0.47 0.00 0.19 3.54 3.41 -1.26 -1.79 113.62 117.24 2nwj n SER 519 Ca -0.01 0.32 0.05 0.00 -0.26 0.00 0.00 58.87 58.97 2nwj n SER 519 Cb 0.63 -0.33 0.39 0.00 -0.26 0.00 0.00 64.21 64.64 2nwj n SER 519 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2nwj h LYS 520 N 0.00 0.00 -6.11 4.33 1.57 -1.94 -3.40 116.57 111.01 2nwj h LYS 520 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 2nwj h LYS 520 Cb 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 2nwj h LYS 520 CO 0.00 0.36 0.84 -2.00 -0.57 0.00 0.00 179.45 178.08 2nwj s GLU 521 N -3.95 4.25 0.30 3.15 2.56 -0.74 -2.88 118.70 121.39 2nwj s GLU 521 Ca -0.02 1.49 0.05 0.00 0.00 0.00 0.00 54.97 56.49 2nwj s GLU 521 Cb 0.13 -3.69 0.79 0.00 2.00 0.00 0.00 34.13 33.35 2nwj s GLU 521 CO 0.70 -0.66 1.67 -0.22 -0.56 0.00 0.00 175.26 176.18 2nwj h LYS 522 N 7.77 0.29 -0.13 4.30 3.64 -1.51 -1.25 116.57 129.67 2nwj h LYS 522 Ca -0.22 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2nwj h LYS 522 Cb 1.08 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 2nwj h LYS 522 CO 0.97 0.19 0.00 0.66 -2.27 0.00 0.00 179.45 179.00 2nwj n TYR 523 N -5.13 0.15 -1.69 1.91 4.01 -1.26 -4.45 117.16 110.70 2nwj n TYR 523 Ca 0.23 -0.07 -0.40 0.00 -0.16 0.00 0.00 57.90 57.50 2nwj n TYR 523 Cb 0.73 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.78 2nwj n TYR 523 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 2nwj n TYR 524 N 0.68 1.89 -3.44 -0.72 9.36 -0.47 -1.29 117.16 123.17 2nwj n TYR 524 Ca 0.17 0.48 0.03 0.00 3.32 0.00 0.00 57.90 61.90 2nwj n TYR 524 Cb 0.44 -2.32 -0.01 0.00 -0.63 0.00 0.00 39.34 36.82 2nwj n TYR 524 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2nwj n GLY 525 N 0.90 -1.70 0.23 2.98 0.00 -0.27 -1.79 105.19 105.54 2nwj n GLY 525 Ca 0.09 -1.26 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 2nwj n GLY 525 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2nwj h TYR 526 N -0.17 -0.51 -0.71 1.61 0.05 -1.90 0.25 116.97 115.59 2nwj h TYR 526 Ca 0.00 0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.72 2nwj h TYR 526 Cb 0.17 0.20 -0.03 0.00 1.01 0.00 0.00 36.73 38.08 2nwj h TYR 526 CO 0.00 -0.29 0.17 1.79 -1.05 0.00 0.00 178.16 178.79 2nwj h THR 527 N -0.40 1.26 -0.45 -2.88 1.35 -1.87 -1.57 112.91 108.35 2nwj h THR 527 Ca 0.01 -0.97 -0.10 0.00 -0.55 0.00 0.00 66.41 64.79 2nwj h THR 527 Cb 0.39 0.53 -0.01 0.00 -1.73 0.00 0.00 68.15 67.33 2nwj h THR 527 CO -0.07 0.38 -0.12 1.23 -0.25 0.00 0.00 175.52 176.68 2nwj h GLY 528 N 1.09 0.95 1.50 5.82 0.00 -1.17 0.04 103.07 111.29 2nwj h GLY 528 Ca 0.22 -0.79 -0.11 0.00 0.00 0.00 0.00 47.33 46.65 2nwj h GLY 528 CO 0.00 0.73 -0.30 0.00 0.00 0.00 0.00 176.54 176.96 2nwj h ALA 529 N 0.87 0.96 -0.23 3.60 0.00 0.42 -0.10 119.26 124.78 2nwj h ALA 529 Ca 0.11 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 2nwj h ALA 529 Cb 0.67 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2nwj h ALA 529 CO 0.05 0.61 -0.38 0.35 0.00 0.00 0.00 179.25 179.87 2nwj h PHE 530 N 0.49 0.60 -0.65 0.00 3.57 -1.09 -2.57 116.94 117.29 2nwj h PHE 530 Ca 0.06 -0.17 -0.07 0.00 3.53 0.00 0.00 57.97 61.33 2nwj h PHE 530 Cb 0.77 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 2nwj h PHE 530 CO 0.03 0.82 0.13 -0.09 -2.23 0.00 0.00 178.31 176.98 2nwj h ARG 531 N 0.43 1.04 -0.57 1.11 2.43 -0.46 0.14 114.38 118.51 2nwj h ARG 531 Ca 0.04 -0.25 0.04 0.00 -0.81 0.00 0.00 59.98 59.00 2nwj h ARG 531 Cb 0.86 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 2nwj h ARG 531 CO 0.07 0.94 0.38 0.00 -1.51 0.00 0.00 179.97 179.85 2nwj h LEU 533 N 0.64 0.20 -1.15 0.00 5.85 -0.98 0.64 115.31 120.52 2nwj h LEU 533 Ca 0.23 -0.88 0.11 0.00 0.84 0.00 0.00 57.88 58.18 2nwj h LEU 533 Cb 0.13 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 2nwj h LEU 533 CO -0.06 1.07 0.60 0.00 -0.34 0.00 0.00 178.44 179.70 2nwj h ALA 534 N 0.14 1.62 -0.12 1.25 0.00 -0.30 0.59 119.26 122.45 2nwj h ALA 534 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2nwj h ALA 534 Cb 1.14 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2nwj h ALA 534 CO 0.06 0.17 0.00 0.39 0.00 0.00 0.00 179.25 179.87 2nwj n GLU 535 N -4.56 1.41 -2.77 0.00 1.02 -0.02 -4.90 120.64 110.82 2nwj n GLU 535 Ca 0.17 -0.62 -0.21 0.00 -0.02 0.00 0.00 57.16 56.48 2nwj n GLU 535 Cb 0.34 -1.29 0.01 0.00 -0.02 0.00 0.00 31.44 30.48 2nwj n GLU 535 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2nwj n ASP 536 N -0.12 -5.72 0.12 1.62 8.00 0.20 -4.86 116.55 115.80 2nwj n ASP 536 Ca 0.12 -0.16 -0.19 0.00 0.71 0.00 0.00 54.79 55.28 2nwj n ASP 536 Cb 0.19 -4.69 -0.14 0.00 -0.02 0.00 0.00 41.12 36.46 2nwj n ASP 536 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2nwj h VAL 537 N -0.74 1.42 -2.22 2.53 2.07 -1.11 -3.46 116.25 114.73 2nwj h VAL 537 Ca -0.49 -2.92 -0.58 0.00 0.82 0.00 0.00 66.70 63.52 2nwj h VAL 537 Cb 1.35 2.96 -0.14 0.00 -1.52 0.00 0.00 31.29 33.94 2nwj h VAL 537 CO 0.56 0.86 -0.72 -0.83 0.02 0.00 0.00 177.57 177.46 2nwj s GLY 538 N -4.63 1.96 0.02 2.17 0.00 -0.63 -4.91 107.32 101.30 2nwj s GLY 538 Ca -0.06 -1.94 0.14 0.00 0.00 0.00 0.00 44.72 42.85 2nwj s GLY 538 CO 0.91 -1.96 0.80 -0.55 0.00 0.00 0.00 173.10 172.30 2nwj h ASP 539 N 2.20 0.00 -4.49 1.64 3.32 -0.02 -3.41 116.42 115.65 2nwj h ASP 539 Ca -0.41 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.46 2nwj h ASP 539 Cb 1.25 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.56 2nwj h ASP 539 CO 0.65 0.85 -0.68 0.54 -1.72 0.00 0.00 179.24 178.88 2nwj s VAL 540 N -2.73 0.06 -0.07 -1.35 0.11 -0.82 -4.33 120.40 111.28 2nwj s VAL 540 Ca -0.03 -0.53 0.04 0.00 -2.93 0.00 0.00 61.98 58.52 2nwj s VAL 540 Cb 0.08 -0.19 0.00 0.00 -1.53 0.00 0.00 36.38 34.74 2nwj s VAL 540 CO 0.82 -0.29 -0.20 0.00 -3.33 0.00 0.00 175.10 172.10 2nwj s ALA 541 N -0.88 1.79 -0.55 1.54 0.00 -0.05 -0.28 121.76 123.34 2nwj s ALA 541 Ca -0.10 -0.77 -0.13 0.00 0.00 0.00 0.00 51.96 50.96 2nwj s ALA 541 Cb -0.06 -0.66 0.14 0.00 0.00 0.00 0.00 23.12 22.54 2nwj s ALA 541 CO -0.00 0.26 0.47 -0.06 0.00 0.00 0.00 175.76 176.43 2nwj s PHE 542 N 0.29 3.37 0.00 0.00 0.08 -0.34 -0.72 117.98 120.66 2nwj s PHE 542 Ca -0.12 -1.60 0.00 0.00 0.12 0.00 0.00 56.93 55.33 2nwj s PHE 542 Cb -0.15 -3.69 0.00 0.00 -0.57 0.00 0.00 43.02 38.61 2nwj s PHE 542 CO 0.05 -1.00 0.00 1.33 -0.10 0.00 0.00 175.22 175.50 2nwj n VAL 543 N 4.96 0.00 -4.47 -0.44 0.24 -0.97 -3.56 118.33 114.10 2nwj n VAL 543 Ca -0.09 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 61.97 2nwj n VAL 543 Cb 0.41 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.68 2nwj n VAL 543 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2nwj s LYS 544 N 1.52 1.84 0.24 7.34 -2.85 -1.26 -0.65 119.74 125.91 2nwj s LYS 544 Ca 0.00 -1.81 -0.05 0.00 -1.00 0.00 0.00 55.97 53.12 2nwj s LYS 544 Cb 0.00 -1.80 0.43 0.00 -2.06 0.00 0.00 37.83 34.40 2nwj s LYS 544 CO 0.00 0.23 1.74 -0.97 0.10 0.00 0.00 175.35 176.45 2nwj h ASN 545 N 2.07 0.33 -0.72 0.03 -1.24 -1.12 -2.08 115.58 112.85 2nwj h ASN 545 Ca -0.42 0.10 0.09 0.00 0.71 0.00 0.00 56.30 56.78 2nwj h ASN 545 Cb 1.25 0.06 -0.05 0.00 0.73 0.00 0.00 38.32 40.32 2nwj h ASN 545 CO 0.65 0.15 0.47 0.44 -1.29 0.00 0.00 177.43 177.85 2nwj h ASP 546 N 0.49 0.58 -0.46 1.15 3.32 -1.96 -2.55 116.42 116.99 2nwj h ASP 546 Ca 0.40 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.49 2nwj h ASP 546 Cb 0.56 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 2nwj h ASP 546 CO -0.37 0.36 0.25 0.74 -1.72 0.00 0.00 179.24 178.50 2nwj h THR 547 N 0.65 1.00 -0.10 0.35 2.02 -1.78 0.23 112.91 115.29 2nwj h THR 547 Ca 0.32 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.34 2nwj h THR 547 Cb 0.40 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2nwj h THR 547 CO -0.11 0.09 0.05 0.58 0.37 0.00 0.00 175.52 176.50 2nwj h VAL 548 N 0.49 1.01 -0.54 3.16 2.07 -1.52 -2.50 116.25 118.42 2nwj h VAL 548 Ca 0.19 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 2nwj h VAL 548 Cb 0.07 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 2nwj h VAL 548 CO -0.12 0.02 0.22 -0.50 0.02 0.00 0.00 177.57 177.22 2nwj h TRP 549 N 0.11 0.81 0.00 1.57 4.06 -1.42 -2.94 115.95 118.14 2nwj h TRP 549 Ca 0.04 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 60.93 2nwj h TRP 549 Cb -0.00 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 27.91 2nwj h TRP 549 CO -0.08 0.66 0.00 0.39 -3.56 0.00 0.00 178.44 175.85 2nwj n GLU 550 N -4.53 0.03 -0.35 0.49 1.02 0.04 -3.16 120.64 114.18 2nwj n GLU 550 Ca 0.02 0.25 0.08 0.00 -0.02 0.00 0.00 57.16 57.49 2nwj n GLU 550 Cb 0.15 -1.55 0.15 0.00 -0.02 0.00 0.00 31.44 30.17 2nwj n GLU 550 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2nwj n ASN 551 N -1.60 1.90 -4.24 1.62 3.02 -0.95 -3.48 115.26 111.52 2nwj n ASN 551 Ca 0.04 -3.25 -0.13 0.00 -0.03 0.00 0.00 54.58 51.21 2nwj n ASN 551 Cb 0.20 -0.44 -0.10 0.00 -0.61 0.00 0.00 39.78 38.82 2nwj n ASN 551 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2nwj s THR 552 N -2.66 0.27 -1.60 3.41 -4.23 -1.18 -4.73 115.64 104.90 2nwj s THR 552 Ca 0.32 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.71 2nwj s THR 552 Cb 0.30 -2.45 0.11 0.00 1.34 0.00 0.00 72.50 71.79 2nwj s THR 552 CO -0.02 -0.11 0.70 0.59 -0.54 0.00 0.00 174.62 175.24 2nwj n ASN 553 N -0.31 -2.58 0.00 3.99 4.13 0.65 -1.13 115.26 120.00 2nwj n ASN 553 Ca -0.00 -0.99 0.00 0.00 1.68 0.00 0.00 54.58 55.27 2nwj n ASN 553 Cb 0.66 -2.94 0.00 0.00 -1.54 0.00 0.00 39.78 35.96 2nwj n ASN 553 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2nwj n GLY 554 N -1.61 1.41 0.27 7.41 0.00 -1.26 -4.88 105.19 106.54 2nwj n GLY 554 Ca -0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.12 2nwj n GLY 554 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2nwj h GLU 555 N 2.62 0.00 -6.05 1.61 4.39 -1.39 -3.39 114.58 112.37 2nwj h GLU 555 Ca 0.00 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 59.05 2nwj h GLU 555 Cb 0.00 0.00 -0.31 0.00 -0.10 0.00 0.00 28.75 28.34 2nwj h GLU 555 CO 0.00 0.09 -0.87 0.45 -1.16 0.00 0.00 179.01 177.52 2nwj s SER 556 N -5.97 2.74 0.00 1.42 0.15 -1.23 -4.83 113.70 105.98 2nwj s SER 556 Ca -0.02 -0.44 0.20 0.00 0.70 0.00 0.00 55.95 56.38 2nwj s SER 556 Cb 0.12 -0.52 0.21 0.00 -1.71 0.00 0.00 66.02 64.12 2nwj s SER 556 CO 0.56 0.25 1.16 0.35 1.20 0.00 0.00 173.24 176.77 2nwj n THR 557 N 2.74 0.13 -1.71 6.45 -2.24 -1.26 -3.76 114.28 114.63 2nwj n THR 557 Ca -0.17 -0.56 -0.39 0.00 -2.27 0.00 0.00 64.05 60.66 2nwj n THR 557 Cb 0.52 1.29 0.03 0.00 -2.10 0.00 0.00 70.33 70.08 2nwj n THR 557 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nwj n ALA 558 N 1.13 1.29 -0.33 6.98 0.00 -1.26 -4.57 120.51 123.75 2nwj n ALA 558 Ca 0.13 0.15 0.05 0.00 0.00 0.00 0.00 53.44 53.77 2nwj n ALA 558 Cb 0.50 -2.29 0.23 0.00 0.00 0.00 0.00 19.45 17.89 2nwj n ALA 558 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2nwj h ASP 559 N 1.49 0.93 1.57 0.00 1.82 -2.00 0.65 116.42 120.88 2nwj h ASP 559 Ca -0.50 0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.13 2nwj h ASP 559 Cb 1.31 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 41.14 2nwj h ASP 559 CO 0.57 0.56 -0.14 4.11 -1.61 0.00 0.00 179.24 182.73 2nwj h TRP 560 N 1.03 0.00 0.00 0.28 5.08 -1.98 -3.33 115.95 117.03 2nwj h TRP 560 Ca 0.43 0.00 -0.29 0.00 1.08 0.00 0.00 58.89 60.11 2nwj h TRP 560 Cb 0.30 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.40 2nwj h TRP 560 CO -0.00 0.14 -2.30 0.00 -1.28 0.00 0.00 178.44 175.00 2nwj n ALA 561 N -2.14 1.77 -0.33 0.11 0.00 -0.71 -4.64 120.51 114.56 2nwj n ALA 561 Ca 0.02 -1.17 -0.04 0.00 0.00 0.00 0.00 53.44 52.26 2nwj n ALA 561 Cb 0.52 -0.30 -0.01 0.00 0.00 0.00 0.00 19.45 19.66 2nwj n ALA 561 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2nwj n LYS 562 N -2.65 -0.26 -0.18 0.00 5.02 0.22 -1.07 118.16 119.25 2nwj n LYS 562 Ca -0.27 1.25 0.04 0.00 -2.02 0.00 0.00 58.31 57.30 2nwj n LYS 562 Cb 1.04 -1.84 0.12 0.00 -0.02 0.00 0.00 35.03 34.32 2nwj n LYS 562 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2nwj n ASN 563 N -5.13 1.68 -4.77 4.39 5.15 -1.26 -4.20 115.26 111.12 2nwj n ASN 563 Ca 0.06 -2.09 -0.39 0.00 -0.60 0.00 0.00 54.58 51.56 2nwj n ASN 563 Cb 0.28 -0.28 -0.06 0.00 -0.53 0.00 0.00 39.78 39.20 2nwj n ASN 563 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2nwj s LEU 564 N -0.98 4.58 -0.08 1.20 1.43 -0.23 -4.99 118.68 119.61 2nwj s LEU 564 Ca 0.17 1.63 0.05 0.00 -1.03 0.00 0.00 54.13 54.95 2nwj s LEU 564 Cb 0.10 -3.30 -0.00 0.00 0.03 0.00 0.00 46.19 43.02 2nwj s LEU 564 CO 0.10 0.18 -0.23 -0.75 0.23 0.00 0.00 176.35 175.88 2nwj s LYS 565 N -1.01 2.77 0.36 1.70 2.36 -1.26 -0.26 119.74 124.40 2nwj s LYS 565 Ca 0.36 -0.85 0.10 0.00 -2.55 0.00 0.00 55.97 53.03 2nwj s LYS 565 Cb -0.23 -2.18 0.86 0.00 -1.05 0.00 0.00 37.83 35.24 2nwj s LYS 565 CO 0.26 0.24 1.85 0.00 1.55 0.00 0.00 175.35 179.25 2nwj h ARG 566 N 6.49 0.62 0.00 4.03 3.08 -1.93 0.27 114.38 126.95 2nwj h ARG 566 Ca -0.24 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.77 2nwj h ARG 566 Cb 1.21 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2nwj h ARG 566 CO 0.47 0.41 0.00 -1.91 -1.07 0.00 0.00 179.97 177.87 2nwj n GLU 567 N -4.58 0.01 -0.03 0.04 4.07 -1.26 -1.46 120.64 117.42 2nwj n GLU 567 Ca 0.19 0.27 0.12 0.00 -0.06 0.00 0.00 57.16 57.68 2nwj n GLU 567 Cb 0.53 -1.50 0.49 0.00 -0.06 0.00 0.00 31.44 30.91 2nwj n GLU 567 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2nwj n ASP 568 N -1.49 1.40 -4.35 4.31 8.00 0.08 -4.80 116.55 119.70 2nwj n ASP 568 Ca 0.03 -1.55 -0.25 0.00 0.71 0.00 0.00 54.79 53.74 2nwj n ASP 568 Cb 0.15 -0.04 -0.12 0.00 -0.02 0.00 0.00 41.12 41.09 2nwj n ASP 568 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2nwj s PHE 569 N -1.91 2.00 0.03 1.24 0.08 -0.54 -0.20 117.98 118.67 2nwj s PHE 569 Ca 0.36 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 57.01 2nwj s PHE 569 Cb 0.19 -1.04 -0.02 0.00 -0.57 0.00 0.00 43.02 41.59 2nwj s PHE 569 CO 0.30 0.33 -0.06 1.03 -0.10 0.00 0.00 175.22 176.72 2nwj s ARG 570 N -2.36 0.42 0.06 0.44 1.81 -0.46 -4.28 118.95 114.57 2nwj s ARG 570 Ca 0.14 -0.57 -0.08 0.00 -1.72 0.00 0.00 55.73 53.49 2nwj s ARG 570 Cb -0.08 -0.20 -0.05 0.00 -0.45 0.00 0.00 34.95 34.17 2nwj s ARG 570 CO 0.06 0.03 0.35 -0.51 -0.68 0.00 0.00 175.30 174.56 2nwj s LEU 571 N -1.19 4.35 -0.35 2.53 1.43 0.18 -1.02 118.68 124.61 2nwj s LEU 571 Ca -0.09 0.69 -0.15 0.00 -1.03 0.00 0.00 54.13 53.55 2nwj s LEU 571 Cb -0.08 -2.88 -0.01 0.00 0.03 0.00 0.00 46.19 43.25 2nwj s LEU 571 CO -0.00 0.20 0.36 -0.76 0.23 0.00 0.00 176.35 176.37 2nwj s LEU 572 N -1.90 4.53 0.36 1.79 1.43 0.20 -1.40 118.68 123.68 2nwj s LEU 572 Ca 0.31 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 52.96 2nwj s LEU 572 Cb -0.14 -2.32 -0.08 0.00 0.03 0.00 0.00 46.19 43.69 2nwj s LEU 572 CO 0.18 -0.36 0.74 0.00 0.23 0.00 0.00 176.35 177.14 2nwj h LEU 574 N 1.77 0.00 -1.28 0.00 3.38 -1.86 -2.29 115.31 115.03 2nwj h LEU 574 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2nwj h LEU 574 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2nwj h LEU 574 CO 0.65 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.28 2nwj n ASP 575 N -2.89 1.79 0.00 -0.43 5.68 -1.26 -4.87 116.55 114.57 2nwj n ASP 575 Ca -0.01 -2.14 0.00 0.00 -0.50 0.00 0.00 54.79 52.14 2nwj n ASP 575 Cb 0.15 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 2nwj n ASP 575 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2nwj n GLY 576 N 0.52 1.16 3.96 6.12 0.00 -0.86 -5.05 105.19 111.05 2nwj n GLY 576 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 2nwj n GLY 576 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2nwj s THR 577 N -3.19 3.35 -0.05 2.61 -4.23 -1.25 -4.60 115.64 108.28 2nwj s THR 577 Ca 0.00 -0.57 0.06 0.00 -1.18 0.00 0.00 61.69 60.00 2nwj s THR 577 Cb 0.00 -3.25 -0.01 0.00 1.34 0.00 0.00 72.50 70.58 2nwj s THR 577 CO 0.00 -0.18 -0.23 -0.13 -0.54 0.00 0.00 174.62 173.55 2nwj s ARG 578 N -4.66 2.29 0.21 3.99 0.52 -1.26 -0.92 118.95 119.11 2nwj s ARG 578 Ca 0.53 -0.83 -0.00 0.00 -0.52 0.00 0.00 55.73 54.91 2nwj s ARG 578 Cb -0.10 -1.97 -0.04 0.00 0.52 0.00 0.00 34.95 33.35 2nwj s ARG 578 CO 0.38 0.36 0.10 0.15 0.02 0.00 0.00 175.30 176.31 2nwj s LYS 579 N -0.16 1.22 0.51 3.54 1.02 -0.49 -4.94 119.74 120.43 2nwj s LYS 579 Ca -0.02 -1.63 -0.21 0.00 0.02 0.00 0.00 55.97 54.12 2nwj s LYS 579 Cb -0.13 0.06 -0.06 0.00 -0.52 0.00 0.00 37.83 37.18 2nwj s LYS 579 CO 0.03 -0.32 1.16 -2.14 -0.92 0.00 0.00 175.35 173.15 2nwj s PRO 580 N -4.09 3.50 0.66 -1.68 0.02 -1.26 0.52 135.00 132.67 2nwj s PRO 580 Ca 0.35 1.71 0.42 0.00 0.02 0.00 0.00 61.00 63.50 2nwj s PRO 580 Cb 0.07 -2.18 2.30 0.00 0.02 0.00 0.00 34.50 34.71 2nwj s PRO 580 CO 0.10 -0.75 2.32 -0.39 -0.33 0.00 0.00 177.00 177.95 2nwj h VAL 581 N 1.48 0.06 0.00 3.83 -1.51 -1.83 0.46 116.25 118.73 2nwj h VAL 581 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.97 2nwj h VAL 581 Cb 1.26 0.97 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 2nwj h VAL 581 CO 0.58 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.27 2nwj n THR 582 N -3.15 0.98 1.12 7.19 -2.24 -1.26 -2.69 114.28 114.23 2nwj n THR 582 Ca -0.03 0.55 0.12 0.00 -2.27 0.00 0.00 64.05 62.42 2nwj n THR 582 Cb 0.11 -1.52 0.28 0.00 -2.10 0.00 0.00 70.33 67.09 2nwj n THR 582 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2nwj n GLU 583 N -2.24 0.46 0.00 -0.78 -0.58 0.16 -4.66 120.64 113.00 2nwj n GLU 583 Ca -0.00 -0.28 0.00 0.00 -0.42 0.00 0.00 57.16 56.46 2nwj n GLU 583 Cb 0.11 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.48 2nwj n GLU 583 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2nwj n ALA 584 N -1.03 0.00 0.31 0.62 0.00 -1.10 0.16 120.51 119.47 2nwj n ALA 584 Ca 0.09 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.73 2nwj n ALA 584 Cb 0.35 0.00 0.95 0.00 0.00 0.00 0.00 19.45 20.75 2nwj n ALA 584 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2nwj h GLN 585 N 0.00 0.00 -0.06 0.00 5.75 -1.90 -2.51 115.11 116.38 2nwj h GLN 585 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2nwj h GLN 585 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 2nwj h GLN 585 CO 0.00 0.00 0.00 -1.13 -2.65 0.00 0.00 178.83 175.05 2nwj n SER 586 N -3.08 1.81 -3.09 -0.69 3.41 0.41 -4.79 113.62 107.61 2nwj n SER 586 Ca -0.01 -1.56 -0.17 0.00 -0.26 0.00 0.00 58.87 56.86 2nwj n SER 586 Cb 0.19 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.09 2nwj n SER 586 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nwj s HIS 588 N -1.45 1.90 -0.11 0.00 -0.00 -1.20 -4.61 115.29 109.82 2nwj s HIS 588 Ca 0.35 -0.76 -0.19 0.00 -0.00 0.00 0.00 55.06 54.46 2nwj s HIS 588 Cb 0.28 -1.12 -0.27 0.00 -0.00 0.00 0.00 32.58 31.48 2nwj s HIS 588 CO -0.10 0.20 0.61 -0.07 -0.00 0.00 0.00 174.74 175.38 2nwj h LEU 589 N 2.28 0.32 -7.99 5.38 3.38 -0.85 -3.42 115.31 114.40 2nwj h LEU 589 Ca -0.40 -0.85 0.04 0.00 0.09 0.00 0.00 57.88 56.76 2nwj h LEU 589 Cb 1.23 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 2nwj h LEU 589 CO 0.67 1.50 0.25 0.00 0.09 0.00 0.00 178.44 180.96 2nwj s ALA 590 N -2.43 -1.07 -0.25 1.53 0.00 -1.22 -5.01 121.76 113.31 2nwj s ALA 590 Ca -0.19 -0.45 -0.09 0.00 0.00 0.00 0.00 51.96 51.23 2nwj s ALA 590 Cb 0.03 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 2nwj s ALA 590 CO 0.75 -1.02 0.12 0.08 0.00 0.00 0.00 175.76 175.69 2nwj s VAL 591 N -3.35 4.88 -0.03 0.00 1.01 -1.26 -1.14 120.40 120.51 2nwj s VAL 591 Ca 0.13 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 2nwj s VAL 591 Cb -0.06 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 2nwj s VAL 591 CO 0.08 0.33 0.18 0.00 0.00 0.00 0.00 175.10 175.69 2nwj s ALA 592 N 1.38 3.93 0.89 5.51 0.00 0.14 -4.87 121.76 128.74 2nwj s ALA 592 Ca 0.06 -0.72 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 2nwj s ALA 592 Cb -0.15 -1.92 0.12 0.00 0.00 0.00 0.00 23.12 21.17 2nwj s ALA 592 CO 0.06 0.71 1.09 -2.30 0.00 0.00 0.00 175.76 175.32 2nwj n PRO 593 N 1.20 -0.28 -2.21 0.00 -0.02 -1.26 -1.04 135.00 131.39 2nwj n PRO 593 Ca -0.13 -0.01 -0.29 0.00 -2.02 0.00 0.00 63.50 61.05 2nwj n PRO 593 Cb 0.53 -2.34 0.01 0.00 -0.02 0.00 0.00 33.50 31.68 2nwj n PRO 593 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 2nwj s ASN 594 N -2.44 6.14 0.59 2.55 0.01 -1.26 -4.62 114.94 115.91 2nwj s ASN 594 Ca 0.68 1.15 -0.19 0.00 -0.71 0.00 0.00 52.86 53.79 2nwj s ASN 594 Cb -0.25 -2.29 -0.04 0.00 0.41 0.00 0.00 41.25 39.09 2nwj s ASN 594 CO 0.57 -0.80 1.20 -1.00 -1.51 0.00 0.00 177.10 175.56 2nwj s HIS 595 N -3.00 2.43 0.07 2.20 3.76 -1.26 -4.54 115.29 114.95 2nwj s HIS 595 Ca 0.52 1.52 -0.10 0.00 -0.15 0.00 0.00 55.06 56.85 2nwj s HIS 595 Cb -0.11 -3.45 0.01 0.00 1.11 0.00 0.00 32.58 30.14 2nwj s HIS 595 CO 0.50 -2.13 0.23 0.00 -0.85 0.00 0.00 174.74 172.49 2nwj s ALA 596 N -1.63 -0.40 0.10 -1.40 0.00 -0.30 -0.90 121.76 117.22 2nwj s ALA 596 Ca 0.77 -0.38 -0.30 0.00 0.00 0.00 0.00 51.96 52.05 2nwj s ALA 596 Cb -0.29 0.43 -0.05 0.00 0.00 0.00 0.00 23.12 23.20 2nwj s ALA 596 CO 0.32 -0.47 0.97 0.08 0.00 0.00 0.00 175.76 176.67 2nwj s VAL 597 N -3.31 4.53 0.16 0.00 1.01 0.82 0.30 120.40 123.91 2nwj s VAL 597 Ca 0.01 2.05 0.09 0.00 0.00 0.00 0.00 61.98 64.13 2nwj s VAL 597 Cb 0.02 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 2nwj s VAL 597 CO -0.08 0.29 -0.20 0.68 0.00 0.00 0.00 175.10 175.80 2nwj s VAL 598 N 0.14 1.88 0.30 2.92 -7.23 -0.38 0.95 120.40 118.99 2nwj s VAL 598 Ca 0.48 -1.87 -0.13 0.00 -1.81 0.00 0.00 61.98 58.65 2nwj s VAL 598 Cb -0.23 -1.84 0.02 0.00 0.56 0.00 0.00 36.38 34.89 2nwj s VAL 598 CO 0.30 -0.24 0.60 -0.94 -0.31 0.00 0.00 175.10 174.51 2nwj s SER 599 N -2.53 0.08 0.43 4.85 1.04 -0.70 -2.94 113.70 113.93 2nwj s SER 599 Ca 0.15 -1.01 -0.24 0.00 0.48 0.00 0.00 55.95 55.32 2nwj s SER 599 Cb -0.07 0.69 -0.08 0.00 0.10 0.00 0.00 66.02 66.66 2nwj s SER 599 CO 0.07 -1.34 1.15 -0.13 0.98 0.00 0.00 173.24 173.97 2nwj s ARG 600 N -3.43 3.92 0.27 4.02 0.52 -1.26 -0.58 118.95 122.41 2nwj s ARG 600 Ca 0.20 1.76 0.01 0.00 -0.52 0.00 0.00 55.73 57.18 2nwj s ARG 600 Cb -0.03 -2.52 0.60 0.00 0.52 0.00 0.00 34.95 33.53 2nwj s ARG 600 CO 0.11 -0.42 1.74 1.03 0.02 0.00 0.00 175.30 177.79 2nwj h SER 601 N 2.31 0.49 0.50 0.23 0.87 -1.93 -0.38 113.55 115.64 2nwj h SER 601 Ca -0.49 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 2nwj h SER 601 Cb 1.24 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 2nwj h SER 601 CO 0.61 0.16 0.00 -0.90 -0.53 0.00 0.00 176.83 176.17 2nwj n ASP 602 N -4.91 0.17 -0.12 6.23 5.75 -1.26 -2.57 116.55 119.83 2nwj n ASP 602 Ca 0.19 0.54 0.04 0.00 -0.01 0.00 0.00 54.79 55.55 2nwj n ASP 602 Cb 0.51 -0.58 -0.01 0.00 -1.03 0.00 0.00 41.12 40.01 2nwj n ASP 602 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2nwj n ARG 603 N -1.69 2.95 -0.18 0.11 5.12 -0.24 -4.78 116.66 117.95 2nwj n ARG 603 Ca 0.03 -0.37 -0.01 0.00 -1.93 0.00 0.00 57.85 55.57 2nwj n ARG 603 Cb 0.17 -0.95 0.07 0.00 -1.16 0.00 0.00 32.46 30.58 2nwj n ARG 603 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2nwj h ALA 604 N 1.22 0.47 -0.77 7.54 0.00 -1.04 -1.05 119.26 125.63 2nwj h ALA 604 Ca 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2nwj h ALA 604 Cb 0.23 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2nwj h ALA 604 CO 0.00 -0.41 0.38 0.00 0.00 0.00 0.00 179.25 179.23 2nwj h ALA 605 N 1.51 1.22 -0.28 0.00 0.00 -1.86 -0.20 119.26 119.64 2nwj h ALA 605 Ca 0.27 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 2nwj h ALA 605 Cb 0.43 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2nwj h ALA 605 CO -0.49 0.60 -0.56 1.25 0.00 0.00 0.00 179.25 180.05 2nwj h HIS 606 N 1.09 1.07 -0.48 0.00 6.17 -1.75 -2.19 115.15 119.07 2nwj h HIS 606 Ca 0.27 -0.39 -0.07 0.00 0.71 0.00 0.00 60.37 60.89 2nwj h HIS 606 Cb 0.09 -0.20 -0.02 0.00 2.52 0.00 0.00 27.41 29.80 2nwj h HIS 606 CO 0.01 1.21 0.03 0.28 0.71 0.00 0.00 177.93 180.18 2nwj h VAL 607 N 0.65 1.26 -0.17 5.26 2.07 -0.99 -1.85 116.25 122.47 2nwj h VAL 607 Ca 0.01 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.53 2nwj h VAL 607 Cb 1.16 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 2nwj h VAL 607 CO 0.12 0.35 0.10 -0.08 0.02 0.00 0.00 177.57 178.09 2nwj h GLU 608 N 0.69 0.20 0.09 1.57 4.81 -0.98 -0.78 114.58 120.18 2nwj h GLU 608 Ca 0.14 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.38 2nwj h GLU 608 Cb 0.46 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 2nwj h GLU 608 CO 0.02 0.13 -0.21 0.37 -0.73 0.00 0.00 179.01 178.59 2nwj h GLN 609 N 0.21 -0.37 -0.62 1.92 4.15 -1.26 -1.20 115.11 117.95 2nwj h GLN 609 Ca 0.07 0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.53 2nwj h GLN 609 Cb -0.01 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.73 2nwj h GLN 609 CO -0.03 -0.24 0.39 0.28 -1.93 0.00 0.00 178.83 177.29 2nwj h VAL 610 N -0.38 1.10 -0.74 2.39 2.07 -1.21 -2.49 116.25 116.99 2nwj h VAL 610 Ca 0.03 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 2nwj h VAL 610 Cb 0.41 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2nwj h VAL 610 CO -0.13 0.14 0.26 -0.07 0.02 0.00 0.00 177.57 177.79 2nwj h LEU 611 N 0.77 1.05 -0.91 2.57 4.07 -0.89 0.25 115.31 122.22 2nwj h LEU 611 Ca 0.24 -0.19 -0.02 0.00 0.08 0.00 0.00 57.88 57.98 2nwj h LEU 611 Cb -0.01 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.41 2nwj h LEU 611 CO -0.09 0.96 0.44 -0.07 -1.08 0.00 0.00 178.44 178.60 2nwj h LEU 612 N 1.08 1.10 -0.45 1.67 3.38 -1.01 -0.29 115.31 120.79 2nwj h LEU 612 Ca 0.24 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 2nwj h LEU 612 Cb 0.27 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2nwj h LEU 612 CO -0.01 0.90 -0.40 -0.74 0.09 0.00 0.00 178.44 178.28 2nwj h HIS 613 N 1.21 1.02 -0.32 1.13 2.76 -0.98 -2.64 115.15 117.33 2nwj h HIS 613 Ca 0.30 -0.31 -0.09 0.00 -2.20 0.00 0.00 60.37 58.07 2nwj h HIS 613 Cb 0.08 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.80 2nwj h HIS 613 CO 0.01 1.11 -0.17 1.96 -1.30 0.00 0.00 177.93 179.55 2nwj h GLN 614 N 0.69 0.58 0.00 5.26 1.08 0.08 -2.84 115.11 119.97 2nwj h GLN 614 Ca 0.05 -0.19 -0.12 0.00 -1.45 0.00 0.00 58.65 56.94 2nwj h GLN 614 Cb 0.98 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.34 2nwj h GLN 614 CO 0.09 0.73 -0.59 -0.56 -0.95 0.00 0.00 178.83 177.55 2nwj h GLN 615 N 0.53 0.00 -0.38 1.46 3.07 -1.03 0.23 115.11 118.99 2nwj h GLN 615 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.83 2nwj h GLN 615 Cb 0.59 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.13 2nwj h GLN 615 CO 0.04 0.59 0.25 0.00 0.09 0.00 0.00 178.83 179.80 2nwj h ALA 616 N 1.41 1.73 0.07 0.06 0.00 -1.24 0.41 119.26 121.70 2nwj h ALA 616 Ca -0.01 -0.03 -0.29 0.00 0.00 0.00 0.00 54.91 54.58 2nwj h ALA 616 Cb 1.32 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 2nwj h ALA 616 CO 0.08 0.25 -1.57 -0.07 0.00 0.00 0.00 179.25 177.94 2nwj h LEU 617 N 0.52 0.24 -1.36 0.00 3.38 -1.30 -1.13 115.31 115.67 2nwj h LEU 617 Ca 0.14 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.35 2nwj h LEU 617 Cb -0.06 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2nwj h LEU 617 CO -0.03 1.66 0.00 0.49 0.09 0.00 0.00 178.44 180.65 2nwj n PHE 618 N -3.96 0.02 -0.85 1.13 3.72 0.78 0.40 117.46 118.70 2nwj n PHE 618 Ca -0.30 -0.03 -0.06 0.00 -0.05 0.00 0.00 57.45 57.00 2nwj n PHE 618 Cb 0.87 -0.00 0.05 0.00 -0.94 0.00 0.00 39.48 39.45 2nwj n PHE 618 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nwj n GLY 619 N 0.35 -1.97 0.40 1.37 0.00 0.14 -0.73 105.19 104.76 2nwj n GLY 619 Ca 0.04 -1.55 -0.09 0.00 0.00 0.00 0.00 46.02 44.43 2nwj n GLY 619 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2nwj h LYS 620 N 0.00 -0.17 -0.69 1.61 3.64 -1.81 0.75 116.57 119.89 2nwj h LYS 620 Ca -0.08 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2nwj h LYS 620 Cb 0.25 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2nwj h LYS 620 CO 0.06 -0.12 0.00 0.09 -2.27 0.00 0.00 179.45 177.21 2nwj n ASN 621 N -5.38 3.80 -4.37 4.20 5.03 -1.26 -4.87 115.26 112.41 2nwj n ASN 621 Ca 0.02 -2.05 -0.46 0.00 0.87 0.00 0.00 54.58 52.96 2nwj n ASN 621 Cb 0.34 -0.48 -0.02 0.00 -1.02 0.00 0.00 39.78 38.60 2nwj n ASN 621 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2nwj n GLY 622 N 1.54 -2.07 0.38 7.41 0.00 0.25 -4.87 105.19 107.84 2nwj n GLY 622 Ca 0.23 0.22 0.15 0.00 0.00 0.00 0.00 46.02 46.63 2nwj n GLY 622 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nwj h LYS 623 N 0.78 0.58 -0.28 1.61 6.56 -0.71 -2.22 116.57 122.90 2nwj h LYS 623 Ca -0.31 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.25 2nwj h LYS 623 Cb 1.44 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.97 2nwj h LYS 623 CO 0.54 0.38 0.00 0.09 -2.06 0.00 0.00 179.45 178.40 2nwj n ASN 624 N -4.60 3.55 -4.48 0.86 5.03 0.16 -4.98 115.26 110.81 2nwj n ASN 624 Ca 0.20 -2.70 -0.33 0.00 0.87 0.00 0.00 54.58 52.61 2nwj n ASN 624 Cb 0.60 -0.44 -0.13 0.00 -1.02 0.00 0.00 39.78 38.79 2nwj n ASN 624 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2nwj n PRO 626 N 3.27 0.00 -0.14 0.00 -0.02 -1.26 -4.54 135.00 132.31 2nwj n PRO 626 Ca -0.18 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.27 2nwj n PRO 626 Cb 0.53 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 34.05 2nwj n PRO 626 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2nwj h ASP 627 N 1.46 -0.02 0.00 2.55 1.82 -1.93 -3.40 116.42 116.90 2nwj h ASP 627 Ca 0.00 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 2nwj h ASP 627 Cb 0.00 0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.13 2nwj h ASP 627 CO 0.00 0.02 -0.67 0.29 -1.61 0.00 0.00 179.24 177.27 2nwj n LYS 628 N -5.12 0.86 -3.56 0.28 4.76 0.28 -5.10 118.16 110.56 2nwj n LYS 628 Ca 0.04 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.32 2nwj n LYS 628 Cb 0.22 -0.84 -0.06 0.00 -1.84 0.00 0.00 35.03 32.51 2nwj n LYS 628 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 2nwj s PHE 629 N -1.67 -0.70 -0.14 2.13 5.36 -0.76 -5.06 117.98 117.14 2nwj s PHE 629 Ca 0.00 1.39 -0.00 0.00 -0.96 0.00 0.00 56.93 57.36 2nwj s PHE 629 Cb 0.00 0.36 0.03 0.00 -0.34 0.00 0.00 43.02 43.07 2nwj s PHE 629 CO 0.00 -0.52 -0.07 0.00 -1.46 0.00 0.00 175.22 173.17 2nwj h LEU 631 N 8.15 0.29 -3.67 0.00 6.46 -1.24 -3.17 115.31 122.12 2nwj h LEU 631 Ca -0.28 -0.09 -0.16 0.00 -0.12 0.00 0.00 57.88 57.24 2nwj h LEU 631 Cb 1.12 -0.08 -0.09 0.00 -0.73 0.00 0.00 40.66 40.88 2nwj h LEU 631 CO 0.41 0.54 0.19 0.49 -0.62 0.00 0.00 178.44 179.45 2nwj n PHE 632 N -4.16 2.27 -4.39 1.25 3.72 -1.26 -4.67 117.46 110.22 2nwj n PHE 632 Ca -0.01 -1.09 -0.21 0.00 -0.05 0.00 0.00 57.45 56.09 2nwj n PHE 632 Cb 0.36 -0.63 -0.13 0.00 -0.94 0.00 0.00 39.48 38.14 2nwj n PHE 632 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2nwj s LYS 633 N -2.95 1.01 -0.12 -1.08 -0.14 -1.20 -4.20 119.74 111.07 2nwj s LYS 633 Ca 0.54 -0.81 0.04 0.00 -1.36 0.00 0.00 55.97 54.39 2nwj s LYS 633 Cb 0.43 -1.05 0.14 0.00 -1.68 0.00 0.00 37.83 35.67 2nwj s LYS 633 CO 0.13 0.26 0.85 -1.13 -0.76 0.00 0.00 175.35 174.70 2nwj n SER 634 N 1.83 -0.52 -3.58 2.83 3.41 -1.26 -4.89 113.62 111.44 2nwj n SER 634 Ca -0.18 -1.40 -0.23 0.00 -0.26 0.00 0.00 58.87 56.80 2nwj n SER 634 Cb 0.54 0.24 0.02 0.00 -0.26 0.00 0.00 64.21 64.76 2nwj n SER 634 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2nwj n GLU 635 N -0.53 -1.30 -0.84 4.33 1.02 -1.26 -1.90 120.64 120.16 2nwj n GLU 635 Ca -0.07 0.76 -0.04 0.00 -0.02 0.00 0.00 57.16 57.80 2nwj n GLU 635 Cb 0.62 -3.97 -0.02 0.00 -0.02 0.00 0.00 31.44 28.06 2nwj n GLU 635 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2nwj n THR 636 N -3.25 0.00 1.15 2.62 -2.24 -1.26 -4.76 114.28 106.54 2nwj n THR 636 Ca -0.13 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.77 2nwj n THR 636 Cb 0.60 -0.81 0.34 0.00 -2.10 0.00 0.00 70.33 68.36 2nwj n THR 636 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2nwj n LYS 637 N -0.02 0.49 -3.92 -0.78 5.02 -0.80 -4.79 118.16 113.35 2nwj n LYS 637 Ca -0.04 -0.28 -0.26 0.00 -2.02 0.00 0.00 58.31 55.72 2nwj n LYS 637 Cb 0.35 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.85 2nwj n LYS 637 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2nwj n ASN 638 N -1.02 -0.84 -4.69 4.39 3.02 -1.26 -4.92 115.26 109.95 2nwj n ASN 638 Ca 0.10 -1.01 -0.40 0.00 -0.03 0.00 0.00 54.58 53.23 2nwj n ASN 638 Cb 0.34 -3.08 -0.05 0.00 -0.61 0.00 0.00 39.78 36.38 2nwj n ASN 638 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2nwj s LEU 639 N -6.92 4.22 0.00 3.41 1.43 -1.26 -4.30 118.68 115.26 2nwj s LEU 639 Ca 0.05 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.21 2nwj s LEU 639 Cb -0.02 -3.04 0.00 0.00 0.03 0.00 0.00 46.19 43.16 2nwj s LEU 639 CO 0.89 -0.23 0.00 0.18 0.23 0.00 0.00 176.35 177.42 2nwj n LEU 640 N 4.54 0.00 -4.09 1.79 4.77 -1.26 -4.75 117.00 118.00 2nwj n LEU 640 Ca -0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 2nwj n LEU 640 Cb 0.50 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 2nwj n LEU 640 CO 0.46 0.00 -0.36 -0.36 -1.33 0.00 0.00 177.39 175.80 2nwj s PHE 641 N 0.00 0.51 0.33 -1.77 0.08 -1.26 -4.45 117.98 111.42 2nwj s PHE 641 Ca 0.00 -1.04 -0.28 0.00 0.12 0.00 0.00 56.93 55.73 2nwj s PHE 641 Cb 0.00 -0.38 -0.09 0.00 -0.57 0.00 0.00 43.02 41.97 2nwj s PHE 641 CO 0.00 -0.37 1.17 -0.80 -0.10 0.00 0.00 175.22 175.12 2nwj s ASN 642 N -2.85 6.94 0.63 1.36 0.01 -1.26 -4.44 114.94 115.32 2nwj s ASN 642 Ca 0.06 2.39 0.41 0.00 -0.71 0.00 0.00 52.86 55.01 2nwj s ASN 642 Cb 0.07 -2.63 2.14 0.00 0.41 0.00 0.00 41.25 41.24 2nwj s ASN 642 CO -0.10 -0.39 2.27 0.44 -1.51 0.00 0.00 177.10 177.82 2nwj h ASP 643 N 3.36 0.00 -0.35 -1.22 3.32 -1.90 -2.02 116.42 117.61 2nwj h ASP 643 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2nwj h ASP 643 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2nwj h ASP 643 CO 0.65 0.01 0.00 -0.46 -1.72 0.00 0.00 179.24 177.72 2nwj n ASN 644 N -3.15 2.16 -4.68 6.45 6.94 -1.26 -4.73 115.26 116.98 2nwj n ASN 644 Ca -0.02 -1.92 -0.42 0.00 -0.02 0.00 0.00 54.58 52.19 2nwj n ASN 644 Cb 0.13 -0.23 -0.03 0.00 -2.36 0.00 0.00 39.78 37.29 2nwj n ASN 644 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2nwj s THR 645 N -1.54 3.62 -0.03 5.53 2.01 -0.76 -3.82 115.64 120.65 2nwj s THR 645 Ca 0.30 0.97 -0.12 0.00 0.31 0.00 0.00 61.69 63.14 2nwj s THR 645 Cb 0.16 -3.62 -0.32 0.00 0.01 0.00 0.00 72.50 68.73 2nwj s THR 645 CO 0.22 -0.02 0.74 -0.08 -0.69 0.00 0.00 174.62 174.79 2nwj h GLU 646 N 8.21 0.43 -2.48 4.92 4.81 -0.93 -3.45 114.58 126.09 2nwj h GLU 646 Ca -0.38 -0.74 0.16 0.00 -0.13 0.00 0.00 59.36 58.26 2nwj h GLU 646 Cb 1.18 0.28 -0.07 0.00 0.63 0.00 0.00 28.75 30.76 2nwj h GLU 646 CO 0.92 1.36 0.43 0.00 -0.73 0.00 0.00 179.01 180.99 2nwj s LEU 648 N -2.94 3.89 0.07 0.00 1.43 -1.26 -0.91 118.68 118.96 2nwj s LEU 648 Ca 0.12 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 2nwj s LEU 648 Cb -0.02 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 2nwj s LEU 648 CO 0.03 0.00 0.18 0.00 0.23 0.00 0.00 176.35 176.79 2nwj s ALA 649 N 1.43 3.90 0.49 4.21 0.00 0.15 -4.67 121.76 127.26 2nwj s ALA 649 Ca 0.07 -0.88 -0.22 0.00 0.00 0.00 0.00 51.96 50.92 2nwj s ALA 649 Cb -0.15 -1.73 -0.07 0.00 0.00 0.00 0.00 23.12 21.18 2nwj s ALA 649 CO 0.07 0.81 1.20 0.15 0.00 0.00 0.00 175.76 177.98 2nwj s LYS 650 N -2.48 3.59 0.49 0.00 1.02 0.20 -1.34 119.74 121.21 2nwj s LYS 650 Ca 0.34 1.85 -0.07 0.00 0.02 0.00 0.00 55.97 58.11 2nwj s LYS 650 Cb -0.13 -2.33 -0.04 0.00 -0.52 0.00 0.00 37.83 34.81 2nwj s LYS 650 CO 0.26 -0.71 0.81 -0.51 -0.92 0.00 0.00 175.35 174.29 2nwj s LEU 651 N -3.21 3.60 -0.28 3.17 1.43 -1.26 -4.84 118.68 117.29 2nwj s LEU 651 Ca 0.66 1.01 -0.14 0.00 -1.03 0.00 0.00 54.13 54.63 2nwj s LEU 651 Cb -0.30 -3.97 -0.04 0.00 0.03 0.00 0.00 46.19 41.91 2nwj s LEU 651 CO 0.36 -0.59 0.34 -0.83 0.23 0.00 0.00 176.35 175.86 2nwj s GLY 652 N -4.00 1.89 -0.76 -3.19 0.00 -1.26 -4.51 107.32 95.49 2nwj s GLY 652 Ca 0.49 -0.91 -0.01 0.00 0.00 0.00 0.00 44.72 44.29 2nwj s GLY 652 CO 0.44 0.92 0.64 0.61 0.00 0.00 0.00 173.10 175.72 2nwj n GLY 653 N 4.79 -0.04 3.15 0.20 0.00 -1.26 -4.26 105.19 107.77 2nwj n GLY 653 Ca -0.10 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 2nwj n GLY 653 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nwj n ARG 654 N -3.01 -0.72 -1.84 1.61 1.74 -1.26 -4.78 116.66 108.40 2nwj n ARG 654 Ca -0.14 0.31 -0.40 0.00 -0.77 0.00 0.00 57.85 56.85 2nwj n ARG 654 Cb 0.59 -1.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.03 2nwj n ARG 654 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2nwj s PRO 655 N -3.53 3.88 0.78 5.56 0.02 -1.26 -5.03 135.00 135.42 2nwj s PRO 655 Ca 0.01 2.43 -0.10 0.00 0.02 0.00 0.00 61.00 63.36 2nwj s PRO 655 Cb -0.01 -2.79 0.07 0.00 0.02 0.00 0.00 34.50 31.80 2nwj s PRO 655 CO 0.42 -0.67 1.13 0.95 -0.33 0.00 0.00 177.00 178.51 2nwj s THR 656 N -1.18 2.09 0.42 0.99 -4.23 -1.26 -4.56 115.64 107.91 2nwj s THR 656 Ca 0.57 -0.07 0.12 0.00 -1.18 0.00 0.00 61.69 61.13 2nwj s THR 656 Cb -0.44 -3.01 0.18 0.00 1.34 0.00 0.00 72.50 70.57 2nwj s THR 656 CO 0.58 -0.01 1.96 0.10 -0.54 0.00 0.00 174.62 176.71 2nwj h TYR 657 N -0.93 0.12 -0.30 3.99 -0.00 -1.94 -0.54 116.97 117.39 2nwj h TYR 657 Ca -0.46 -0.01 -0.15 0.00 0.00 0.00 0.00 58.73 58.11 2nwj h TYR 657 Cb 1.33 -0.04 -0.01 0.00 0.00 0.00 0.00 36.73 38.01 2nwj h TYR 657 CO 0.32 0.27 -0.42 0.93 -0.00 0.00 0.00 178.16 179.25 2nwj h GLU 658 N 0.12 0.73 -0.36 0.10 5.08 -1.96 -1.48 114.58 116.82 2nwj h GLU 658 Ca 0.02 -0.39 -0.16 0.00 -1.00 0.00 0.00 59.36 57.83 2nwj h GLU 658 Cb 0.33 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2nwj h GLU 658 CO 0.02 1.02 -0.39 0.93 -1.00 0.00 0.00 179.01 179.59 2nwj h GLU 659 N 0.59 0.87 -0.22 2.33 5.08 -1.78 -1.25 114.58 120.21 2nwj h GLU 659 Ca 0.04 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 57.94 2nwj h GLU 659 Cb 0.97 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 2nwj h GLU 659 CO 0.09 1.10 0.11 -0.92 -1.00 0.00 0.00 179.01 178.39 2nwj h TYR 660 N 0.71 0.31 0.00 4.33 3.20 -0.96 -2.87 116.97 121.68 2nwj h TYR 660 Ca 0.06 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.83 2nwj h TYR 660 Cb 0.97 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 2nwj h TYR 660 CO 0.06 0.29 -0.41 -0.07 -1.64 0.00 0.00 178.16 176.39 2nwj h LEU 661 N 0.24 0.00 0.00 2.82 3.38 -1.26 -3.47 115.31 117.02 2nwj h LEU 661 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2nwj h LEU 661 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2nwj h LEU 661 CO -0.01 0.41 0.00 0.61 0.09 0.00 0.00 178.44 179.53 2nwj n GLY 662 N 0.26 -0.06 0.36 0.83 0.00 -0.48 -4.38 105.19 101.72 2nwj n GLY 662 Ca -0.00 -1.38 0.07 0.00 0.00 0.00 0.00 46.02 44.71 2nwj n GLY 662 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2nwj h THR 663 N 0.00 0.98 0.00 2.61 1.35 -1.87 -1.94 112.91 114.05 2nwj h THR 663 Ca 0.00 -0.31 0.02 0.00 -0.55 0.00 0.00 66.41 65.57 2nwj h THR 663 Cb 0.00 -0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 66.40 2nwj h THR 663 CO 0.00 0.16 -0.10 -0.08 -0.25 0.00 0.00 175.52 175.25 2nwj h GLU 664 N 0.90 -0.17 -0.44 4.72 4.81 -1.95 -2.26 114.58 120.20 2nwj h GLU 664 Ca 0.41 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.58 2nwj h GLU 664 Cb 0.38 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2nwj h GLU 664 CO -0.17 -0.11 -0.02 -0.92 -0.73 0.00 0.00 179.01 177.06 2nwj h TYR 665 N -0.17 0.86 -0.89 0.92 3.20 -1.67 -2.73 116.97 116.49 2nwj h TYR 665 Ca 0.04 -0.16 0.05 0.00 3.14 0.00 0.00 58.73 61.80 2nwj h TYR 665 Cb 0.22 -0.22 -0.06 0.00 1.54 0.00 0.00 36.73 38.21 2nwj h TYR 665 CO -0.16 0.85 0.57 0.28 -1.64 0.00 0.00 178.16 178.05 2nwj h VAL 666 N 0.62 1.08 -0.44 1.81 2.07 -1.26 -1.41 116.25 118.71 2nwj h VAL 666 Ca 0.12 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 2nwj h VAL 666 Cb 0.52 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 2nwj h VAL 666 CO 0.03 0.19 -0.00 0.71 0.02 0.00 0.00 177.57 178.51 2nwj h THR 667 N 1.05 1.26 -0.58 2.57 1.35 -1.34 -2.14 112.91 115.09 2nwj h THR 667 Ca 0.38 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 2nwj h THR 667 Cb 0.12 1.06 -0.03 0.00 -1.73 0.00 0.00 68.15 67.57 2nwj h THR 667 CO -0.16 0.36 0.38 0.00 -0.25 0.00 0.00 175.52 175.85 2nwj h ALA 668 N 0.90 0.74 -0.22 6.62 0.00 -1.12 -0.24 119.26 125.94 2nwj h ALA 668 Ca 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2nwj h ALA 668 Cb 0.50 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2nwj h ALA 668 CO 0.02 0.19 0.03 0.82 0.00 0.00 0.00 179.25 180.32 2nwj h ILE 669 N 0.79 1.23 -0.70 0.00 1.08 -1.17 -0.90 117.51 117.84 2nwj h ILE 669 Ca 0.21 -0.76 0.02 0.00 -0.39 0.00 0.00 64.86 63.93 2nwj h ILE 669 Cb -0.07 1.31 -0.04 0.00 -3.07 0.00 0.00 36.82 34.95 2nwj h ILE 669 CO -0.04 0.24 0.46 0.00 -0.69 0.00 0.00 178.15 178.11 2nwj h ALA 670 N 0.84 0.90 -0.70 1.87 0.00 -1.18 0.20 119.26 121.19 2nwj h ALA 670 Ca 0.07 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2nwj h ALA 670 Cb 0.33 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2nwj h ALA 670 CO 0.00 0.28 0.22 -0.91 0.00 0.00 0.00 179.25 178.84 2nwj h ASN 671 N 0.92 1.00 -0.19 0.00 2.35 -0.91 -2.63 115.58 116.12 2nwj h ASN 671 Ca 0.27 -0.18 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 2nwj h ASN 671 Cb -0.06 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.04 2nwj h ASN 671 CO -0.07 0.94 -0.28 0.25 -1.65 0.00 0.00 177.43 176.61 2nwj h LEU 672 N 1.04 0.58 0.00 1.61 5.85 -0.59 -3.03 115.31 120.77 2nwj h LEU 672 Ca 0.23 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2nwj h LEU 672 Cb 0.29 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2nwj h LEU 672 CO -0.01 0.98 0.00 0.29 -0.34 0.00 0.00 178.44 179.37 2nwj n LYS 673 N -4.36 0.06 0.00 1.25 5.02 0.64 -1.56 118.16 119.20 2nwj n LYS 673 Ca -0.06 0.29 0.10 0.00 -2.02 0.00 0.00 58.31 56.62 2nwj n LYS 673 Cb 0.46 -1.50 0.52 0.00 -0.02 0.00 0.00 35.03 34.49 2nwj n LYS 673 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2nwj n LYS 674 N -1.40 0.29 -0.00 1.97 5.02 -1.01 -2.18 118.16 120.85 2nwj n LYS 674 Ca 0.03 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2nwj n LYS 674 Cb 0.08 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.48 2nwj n LYS 674 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nwj n SER 676 N -2.73 1.90 0.00 0.00 7.64 -0.93 -5.03 113.62 114.48 2nwj n SER 676 Ca -0.13 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.16 2nwj n SER 676 Cb 0.85 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2nwj n SER 676 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2nwj n LEU 681 N -4.42 0.00 -3.42 -3.43 7.94 -1.26 -5.15 117.00 107.26 2nwj n LEU 681 Ca -0.30 0.00 -0.32 0.00 -1.11 0.00 0.00 56.01 54.29 2nwj n LEU 681 Cb 0.62 0.08 -0.04 0.00 0.53 0.00 0.00 43.42 44.62 2nwj n LEU 681 CO 0.13 -0.12 0.48 1.21 -1.11 0.00 0.00 177.39 177.98 2nwj n GLU 682 N -1.73 3.50 0.00 1.96 4.07 -1.26 -5.02 120.64 122.15 2nwj n GLU 682 Ca 0.00 -4.71 0.00 0.00 -0.06 0.00 0.00 57.16 52.39 2nwj n GLU 682 Cb 0.00 -2.33 0.00 0.00 -0.06 0.00 0.00 31.44 29.05 2nwj n GLU 682 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2nwj n ALA 683 N 0.49 0.00 -0.50 4.31 0.00 -1.26 -5.05 120.51 118.50 2nwj n ALA 683 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2nwj n ALA 683 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 2nwj n ALA 683 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nwj n ALA 685 N 0.61 1.41 1.01 0.00 0.00 -1.26 -5.00 120.51 117.28 2nwj n ALA 685 Ca 0.00 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.64 2nwj n ALA 685 Cb 0.00 -1.29 0.11 0.00 0.00 0.00 0.00 19.45 18.28 2nwj n ALA 685 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69