#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nup n GLY 347 N 0.00 3.47 2.26 0.62 0.00 -1.26 -4.94 105.19 105.34 2nup n GLY 347 Ca 0.00 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 2nup n GLY 347 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2nup n LEU 348 N 0.00 7.22 -4.89 0.99 7.94 -1.26 -4.76 117.00 122.24 2nup n LEU 348 Ca 0.00 -4.31 -0.32 0.00 -1.11 0.00 0.00 56.01 50.27 2nup n LEU 348 Cb 0.00 -0.88 -0.05 0.00 0.53 0.00 0.00 43.42 43.02 2nup n LEU 348 CO 0.00 1.53 0.03 0.00 -1.11 0.00 0.00 177.39 177.84 2nup s ARG 349 N -3.76 3.64 0.39 1.96 1.70 -1.26 -4.95 118.95 116.67 2nup s ARG 349 Ca 0.62 -0.03 -0.08 0.00 -0.47 0.00 0.00 55.73 55.77 2nup s ARG 349 Cb 0.49 -2.90 -0.06 0.00 -0.57 0.00 0.00 34.95 31.92 2nup s ARG 349 CO 0.00 0.50 0.72 0.08 -1.08 0.00 0.00 175.30 175.53 2nup s VAL 350 N -1.57 4.86 0.05 4.99 1.01 -1.26 -1.77 120.40 126.71 2nup s VAL 350 Ca 0.38 0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.81 2nup s VAL 350 Cb -0.13 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 2nup s VAL 350 CO 0.22 -0.53 -0.11 -0.69 0.00 0.00 0.00 175.10 173.99 2nup s VAL 351 N -2.36 0.84 -0.41 2.92 1.01 0.27 -4.88 120.40 117.79 2nup s VAL 351 Ca 0.49 -1.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 2nup s VAL 351 Cb -0.10 -0.84 0.10 0.00 0.00 0.00 0.00 36.38 35.53 2nup s VAL 351 CO 0.33 -0.26 0.23 0.21 0.00 0.00 0.00 175.10 175.61 2nup s ASN 352 N -1.57 5.42 0.65 3.32 3.84 -1.26 -1.46 114.94 123.89 2nup s ASN 352 Ca -0.05 -1.76 0.40 0.00 0.21 0.00 0.00 52.86 51.66 2nup s ASN 352 Cb -0.10 -1.90 2.17 0.00 -0.55 0.00 0.00 41.25 40.88 2nup s ASN 352 CO 0.01 -0.54 2.22 -0.07 -2.79 0.00 0.00 177.10 175.94 2nup h LEU 353 N 8.23 0.00 0.00 3.21 3.38 -1.48 -1.50 115.31 127.15 2nup h LEU 353 Ca -0.19 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.63 2nup h LEU 353 Cb 1.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 2nup h LEU 353 CO 0.73 0.00 -0.83 -0.07 0.09 0.00 0.00 178.44 178.36 2nup h LEU 354 N 0.00 0.00 0.07 1.67 3.38 -1.93 -3.29 115.31 115.21 2nup h LEU 354 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 2nup h LEU 354 Cb 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2nup h LEU 354 CO 0.00 0.68 -1.95 0.00 0.09 0.00 0.00 178.44 177.27 2nup n GLN 355 N -3.21 0.68 0.08 1.13 1.13 -0.61 -4.58 117.38 112.01 2nup n GLN 355 Ca -0.01 0.32 -0.03 0.00 -1.94 0.00 0.00 57.00 55.33 2nup n GLN 355 Cb 0.82 -1.67 -0.02 0.00 0.11 0.00 0.00 30.24 29.49 2nup n GLN 355 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2nup h GLU 356 N -0.28 -0.21 -1.50 -1.09 4.39 -1.61 -3.45 114.58 110.83 2nup h GLU 356 Ca -0.45 0.01 -0.23 0.00 0.34 0.00 0.00 59.36 59.03 2nup h GLU 356 Cb 1.81 0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 30.42 2nup h GLU 356 CO -0.05 -0.14 -0.21 -2.13 -1.16 0.00 0.00 179.01 175.32 2nup n ARG 357 N -2.64 -1.26 -1.45 2.33 0.63 -1.24 -4.56 116.66 108.48 2nup n ARG 357 Ca -0.03 0.66 -0.03 0.00 -0.92 0.00 0.00 57.85 57.53 2nup n ARG 357 Cb 0.09 -4.87 -0.01 0.00 0.45 0.00 0.00 32.46 28.11 2nup n ARG 357 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2nup n ASN 358 N -0.29 -0.29 -0.16 6.15 3.02 -1.26 -4.98 115.26 117.45 2nup n ASN 358 Ca -0.11 -2.03 0.01 0.00 -0.03 0.00 0.00 54.58 52.42 2nup n ASN 358 Cb 0.37 0.11 0.28 0.00 -0.61 0.00 0.00 39.78 39.93 2nup n ASN 358 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2nup h MET 359 N 0.57 0.87 -6.53 3.52 -0.00 -1.94 -3.44 114.93 107.98 2nup h MET 359 Ca -0.43 -0.07 -0.58 0.00 -0.00 0.00 0.00 59.70 58.63 2nup h MET 359 Cb 1.54 -0.19 0.06 0.00 -0.00 0.00 0.00 31.60 33.01 2nup h MET 359 CO -0.13 0.60 0.80 -0.11 -0.00 0.00 0.00 176.91 178.07 2nup n LEU 360 N -4.41 3.20 -4.80 -0.10 7.94 -1.26 -4.95 117.00 112.61 2nup n LEU 360 Ca 0.07 1.09 -0.34 0.00 -1.11 0.00 0.00 56.01 55.71 2nup n LEU 360 Cb 0.06 -1.44 -0.05 0.00 0.53 0.00 0.00 43.42 42.51 2nup n LEU 360 CO 0.36 -0.26 0.69 -2.16 -1.11 0.00 0.00 177.39 174.91 2nup s PRO 361 N 0.75 4.13 0.47 1.96 0.04 -1.26 -4.95 135.00 136.13 2nup s PRO 361 Ca 0.77 1.29 0.26 0.00 0.04 0.00 0.00 61.00 63.36 2nup s PRO 361 Cb -0.66 -2.29 0.91 0.00 0.04 0.00 0.00 34.50 32.50 2nup s PRO 361 CO 0.39 -0.14 1.81 0.66 0.04 0.00 0.00 177.00 179.77 2nup h SER 362 N 2.05 0.00 -2.37 6.66 4.64 -1.93 -3.42 113.55 119.18 2nup h SER 362 Ca -0.49 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.27 2nup h SER 362 Cb 1.20 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.20 2nup h SER 362 CO 0.61 0.13 -0.63 0.42 -0.87 0.00 0.00 176.83 176.49 2nup s THR 363 N -3.53 3.70 0.51 2.95 -4.23 -1.26 -1.08 115.64 112.69 2nup s THR 363 Ca 0.02 -1.70 -0.20 0.00 -1.18 0.00 0.00 61.69 58.63 2nup s THR 363 Cb 0.09 -2.95 -0.11 0.00 1.34 0.00 0.00 72.50 70.87 2nup s THR 363 CO 0.62 -0.31 0.51 -2.65 -0.54 0.00 0.00 174.62 172.25 2nup n PRO 364 N -0.76 0.54 -2.67 3.99 -0.02 -1.26 -4.94 135.00 129.88 2nup n PRO 364 Ca -0.07 0.20 -0.33 0.00 -2.02 0.00 0.00 63.50 61.28 2nup n PRO 364 Cb 0.58 -1.60 -0.05 0.00 -0.02 0.00 0.00 33.50 32.41 2nup n PRO 364 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2nup s LEU 365 N 1.34 3.87 -0.01 2.45 1.43 -1.26 -5.06 118.68 121.44 2nup s LEU 365 Ca 0.66 1.76 0.07 0.00 -1.03 0.00 0.00 54.13 55.59 2nup s LEU 365 Cb -0.51 -4.54 -0.02 0.00 0.03 0.00 0.00 46.19 41.15 2nup s LEU 365 CO 0.57 -0.55 -0.23 -0.54 0.23 0.00 0.00 176.35 175.83 2nup s LYS 366 N -3.30 1.81 0.51 1.70 1.02 -1.26 -5.12 119.74 115.10 2nup s LYS 366 Ca 0.64 -0.83 -0.23 0.00 0.02 0.00 0.00 55.97 55.57 2nup s LYS 366 Cb -0.12 -1.77 -0.07 0.00 -0.52 0.00 0.00 37.83 35.36 2nup s LYS 366 CO 0.18 0.48 1.29 -0.35 -0.92 0.00 0.00 175.35 176.03 2nup n PRO 367 N 2.45 1.71 -0.92 -1.68 -0.04 -1.26 -4.95 135.00 130.30 2nup n PRO 367 Ca -0.16 0.62 -0.33 0.00 -0.04 0.00 0.00 63.50 63.60 2nup n PRO 367 Cb 0.52 -2.47 0.14 0.00 -0.04 0.00 0.00 33.50 31.65 2nup n PRO 367 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2nup n PRO 368 N -0.63 -0.10 -3.79 0.54 -0.02 -1.26 -5.01 135.00 124.74 2nup n PRO 368 Ca 0.09 0.04 -0.37 0.00 -2.02 0.00 0.00 63.50 61.24 2nup n PRO 368 Cb 0.43 -2.29 -0.13 0.00 -0.02 0.00 0.00 33.50 31.49 2nup n PRO 368 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2nup s VAL 369 N -2.33 3.64 0.23 -1.45 1.01 -1.26 -5.06 120.40 115.19 2nup s VAL 369 Ca 0.68 -1.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 2nup s VAL 369 Cb -0.26 -3.03 -0.15 0.00 0.00 0.00 0.00 36.38 32.93 2nup s VAL 369 CO 0.56 -0.11 0.95 -2.65 0.00 0.00 0.00 175.10 173.85 2nup n PRO 370 N 4.78 0.98 -2.37 2.72 -0.02 -1.26 -4.74 135.00 135.09 2nup n PRO 370 Ca -0.13 0.35 -0.37 0.00 -2.02 0.00 0.00 63.50 61.33 2nup n PRO 370 Cb 0.45 -1.68 -0.03 0.00 -0.02 0.00 0.00 33.50 32.23 2nup n PRO 370 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2nup s ASN 371 N -0.48 6.10 0.17 2.55 2.47 -1.26 -4.90 114.94 119.59 2nup s ASN 371 Ca 0.65 -2.04 0.07 0.00 0.42 0.00 0.00 52.86 51.96 2nup s ASN 371 Cb -0.80 -2.58 -0.04 0.00 -1.45 0.00 0.00 41.25 36.37 2nup s ASN 371 CO 0.57 -1.94 -0.15 -0.76 -3.72 0.00 0.00 177.10 171.10 2nup s LEU 372 N 6.95 2.49 0.51 3.21 1.43 -1.26 -4.68 118.68 127.32 2nup s LEU 372 Ca 0.59 -0.94 -0.21 0.00 -1.03 0.00 0.00 54.13 52.55 2nup s LEU 372 Cb 0.02 -0.65 -0.09 0.00 0.03 0.00 0.00 46.19 45.50 2nup s LEU 372 CO 0.08 -0.15 0.81 1.57 0.23 0.00 0.00 176.35 178.89 2nup n HIS 373 N -0.02 0.37 -0.14 0.29 -0.00 -1.26 -4.63 115.22 109.82 2nup n HIS 373 Ca -0.11 0.50 -0.09 0.00 -0.00 0.00 0.00 57.72 58.02 2nup n HIS 373 Cb 0.59 -2.10 -0.04 0.00 -0.00 0.00 0.00 29.99 28.44 2nup n HIS 373 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 2nup h GLU 374 N 0.81 -0.29 -0.78 1.57 4.81 -1.99 -1.53 114.58 117.18 2nup h GLU 374 Ca -0.45 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 58.87 2nup h GLU 374 Cb 1.37 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 30.76 2nup h GLU 374 CO 0.52 -0.19 0.51 -0.44 -0.73 0.00 0.00 179.01 178.68 2nup h ASP 375 N -0.30 0.72 -0.00 1.04 3.32 -2.00 -2.34 116.42 116.86 2nup h ASP 375 Ca 0.15 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 2nup h ASP 375 Cb 0.58 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2nup h ASP 375 CO -0.60 0.45 -0.05 0.40 -1.72 0.00 0.00 179.24 177.72 2nup h ILE 376 N 0.81 1.57 -0.93 0.35 2.04 -1.79 -3.28 117.51 116.29 2nup h ILE 376 Ca 0.35 -1.75 0.15 0.00 1.00 0.00 0.00 64.86 64.61 2nup h ILE 376 Cb 0.30 2.73 -0.08 0.00 -0.74 0.00 0.00 36.82 39.03 2nup h ILE 376 CO -0.12 0.46 0.59 -0.61 0.00 0.00 0.00 178.15 178.47 2nup h GLN 377 N -0.67 0.71 0.00 2.37 5.75 -1.12 -0.32 115.11 121.83 2nup h GLN 377 Ca -0.01 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 2nup h GLN 377 Cb 0.78 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.17 2nup h GLN 377 CO 0.01 0.47 0.00 0.36 -2.65 0.00 0.00 178.83 177.02 2nup n LYS 378 N -4.59 0.04 0.00 1.69 2.85 -0.90 -1.31 118.16 115.94 2nup n LYS 378 Ca 0.19 0.34 0.05 0.00 -1.05 0.00 0.00 58.31 57.84 2nup n LYS 378 Cb 0.48 -1.58 -0.02 0.00 -0.65 0.00 0.00 35.03 33.26 2nup n LYS 378 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2nup n LEU 379 N -1.66 1.06 -4.65 -5.58 4.77 -0.18 -5.02 117.00 105.73 2nup n LEU 379 Ca 0.02 -0.69 -0.37 0.00 -0.03 0.00 0.00 56.01 54.94 2nup n LEU 379 Cb 0.14 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.29 2nup n LEU 379 CO 0.12 0.22 0.66 -3.20 -1.33 0.00 0.00 177.39 173.86 2nup n ASN 380 N -0.51 1.19 -4.60 -1.43 2.85 -0.43 -4.02 115.26 108.31 2nup n ASN 380 Ca 0.04 0.81 -0.33 0.00 -0.11 0.00 0.00 54.58 54.99 2nup n ASN 380 Cb 0.21 -1.45 0.14 0.00 1.24 0.00 0.00 39.78 39.92 2nup n ASN 380 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2nup s ASN 382 N -2.21 7.00 0.63 0.00 3.04 -1.26 -4.90 114.94 117.24 2nup s ASN 382 Ca 0.67 2.03 0.35 0.00 0.04 0.00 0.00 52.86 55.95 2nup s ASN 382 Cb -0.26 -2.57 2.00 0.00 -1.54 0.00 0.00 41.25 38.88 2nup s ASN 382 CO 0.57 -0.56 2.23 1.55 -3.04 0.00 0.00 177.10 177.85 2nup h PRO 383 N 7.14 0.00 0.00 0.43 0.13 -1.92 0.40 132.00 138.19 2nup h PRO 383 Ca -0.39 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.68 2nup h PRO 383 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2nup h PRO 383 CO 0.85 0.00 -0.25 0.93 -0.23 0.00 0.00 178.00 179.30 2nup h GLU 384 N 0.00 0.00 0.03 0.86 5.08 -1.99 -3.29 114.58 115.28 2nup h GLU 384 Ca 0.02 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.01 2nup h GLU 384 Cb 0.18 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 2nup h GLU 384 CO -0.00 0.25 -2.28 1.28 -1.00 0.00 0.00 179.01 177.26 2nup n LEU 385 N -3.44 2.35 -3.76 1.33 4.77 0.04 -4.50 117.00 113.79 2nup n LEU 385 Ca -0.00 0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 2nup n LEU 385 Cb 0.44 -0.71 -0.13 0.00 -2.33 0.00 0.00 43.42 40.70 2nup n LEU 385 CO 0.34 0.82 -0.12 0.12 -1.33 0.00 0.00 177.39 177.22 2nup s PHE 386 N -2.53 -0.29 0.11 -1.77 2.19 -0.64 -1.26 117.98 113.79 2nup s PHE 386 Ca -0.26 0.69 -0.23 0.00 0.33 0.00 0.00 56.93 57.46 2nup s PHE 386 Cb 0.08 0.06 0.06 0.00 -1.31 0.00 0.00 43.02 41.91 2nup s PHE 386 CO 0.69 -0.18 0.57 -0.98 1.83 0.00 0.00 175.22 177.16 2nup s ARG 387 N 0.77 1.19 0.04 10.12 1.70 -0.70 -4.02 118.95 128.05 2nup s ARG 387 Ca -0.05 -0.36 0.08 0.00 -0.47 0.00 0.00 55.73 54.92 2nup s ARG 387 Cb -0.07 0.54 -0.03 0.00 -0.57 0.00 0.00 34.95 34.83 2nup s ARG 387 CO -0.05 -0.48 -0.21 0.00 -1.08 0.00 0.00 175.30 173.48 2nup h THR 389 N 4.05 1.15 -3.25 0.00 1.35 -1.64 -3.37 112.91 111.20 2nup h THR 389 Ca -0.47 -0.69 -0.60 0.00 -0.55 0.00 0.00 66.41 64.10 2nup h THR 389 Cb 1.15 1.28 -0.40 0.00 -1.73 0.00 0.00 68.15 68.45 2nup h THR 389 CO 0.46 0.21 -0.75 -0.76 -0.25 0.00 0.00 175.52 174.43 2nup s LEU 390 N -8.70 2.81 0.56 3.87 1.43 -1.26 -1.03 118.68 116.36 2nup s LEU 390 Ca -0.05 -1.85 0.37 0.00 -1.03 0.00 0.00 54.13 51.57 2nup s LEU 390 Cb 0.16 -1.04 1.90 0.00 0.03 0.00 0.00 46.19 47.23 2nup s LEU 390 CO 0.71 -0.39 2.12 0.71 0.23 0.00 0.00 176.35 179.73 2nup h THR 391 N 6.38 0.00 -3.50 5.49 1.35 -1.67 -3.27 112.91 117.68 2nup h THR 391 Ca -0.10 -0.12 -0.69 0.00 -0.55 0.00 0.00 66.41 64.94 2nup h THR 391 Cb 1.01 1.01 -0.35 0.00 -1.73 0.00 0.00 68.15 68.09 2nup h THR 391 CO 0.48 0.00 -0.53 -0.44 -0.25 0.00 0.00 175.52 174.78 2nup s SER 392 N -5.01 5.20 0.02 5.36 0.01 -1.26 -3.96 113.70 114.07 2nup s SER 392 Ca -0.03 -2.18 -0.30 0.00 1.31 0.00 0.00 55.95 54.75 2nup s SER 392 Cb 0.11 -1.82 -0.07 0.00 0.21 0.00 0.00 66.02 64.45 2nup s SER 392 CO 0.40 -0.50 1.66 -0.63 0.41 0.00 0.00 173.24 174.57 2nup s ILE 393 N 0.92 3.26 0.09 1.44 -1.09 -0.80 -4.69 121.20 120.32 2nup s ILE 393 Ca 0.10 0.57 -0.31 0.00 -2.23 0.00 0.00 60.65 58.78 2nup s ILE 393 Cb -0.22 -3.37 -0.09 0.00 -1.58 0.00 0.00 42.46 37.20 2nup s ILE 393 CO -0.04 -0.02 1.81 -2.84 -1.23 0.00 0.00 174.94 172.62 2nup s PRO 394 N 3.18 4.15 0.50 2.79 0.02 -1.26 -1.68 135.00 142.69 2nup s PRO 394 Ca 0.74 2.52 0.18 0.00 0.02 0.00 0.00 61.00 64.47 2nup s PRO 394 Cb -0.37 -3.72 1.23 0.00 0.02 0.00 0.00 34.50 31.66 2nup s PRO 394 CO 0.32 -0.84 2.04 0.37 -0.33 0.00 0.00 177.00 178.56 2nup h GLN 395 N 8.97 0.13 -4.63 5.54 4.15 -1.31 -3.44 115.11 124.52 2nup h GLN 395 Ca -0.46 -0.01 -0.27 0.00 0.77 0.00 0.00 58.65 58.68 2nup h GLN 395 Cb 1.22 -0.03 -0.20 0.00 0.21 0.00 0.00 27.48 28.67 2nup h GLN 395 CO 0.94 0.09 -0.73 0.95 -1.93 0.00 0.00 178.83 178.15 2nup s THR 396 N -5.16 0.60 0.39 2.39 -4.23 -1.26 0.34 115.64 108.72 2nup s THR 396 Ca -0.06 -1.24 0.08 0.00 -1.18 0.00 0.00 61.69 59.30 2nup s THR 396 Cb 0.19 -0.81 0.29 0.00 1.34 0.00 0.00 72.50 73.51 2nup s THR 396 CO 0.72 -0.45 1.99 -0.61 -0.54 0.00 0.00 174.62 175.73 2nup h GLN 397 N 4.23 0.60 -0.00 3.99 5.75 -1.84 0.76 115.11 128.59 2nup h GLN 397 Ca -0.36 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.11 2nup h GLN 397 Cb 1.20 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.60 2nup h GLN 397 CO 0.45 0.40 -0.04 0.00 -2.65 0.00 0.00 178.83 176.98 2nup h ALA 398 N 1.67 -0.03 -0.85 3.38 0.00 -1.95 0.12 119.26 121.60 2nup h ALA 398 Ca 0.26 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2nup h ALA 398 Cb 0.24 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2nup h ALA 398 CO -0.08 -0.53 0.44 1.25 0.00 0.00 0.00 179.25 180.34 2nup h LEU 399 N -0.06 1.07 -0.79 0.00 5.85 -1.49 -1.90 115.31 117.98 2nup h LEU 399 Ca 0.02 -0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2nup h LEU 399 Cb 0.09 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 2nup h LEU 399 CO -0.04 0.87 0.48 0.25 -0.34 0.00 0.00 178.44 179.66 2nup h LEU 400 N 1.19 0.95 -0.85 2.25 5.85 -0.29 -2.65 115.31 121.76 2nup h LEU 400 Ca 0.30 -0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.84 2nup h LEU 400 Cb 0.06 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 2nup h LEU 400 CO -0.04 0.73 -0.45 0.78 -0.34 0.00 0.00 178.44 179.11 2nup h ASN 401 N 1.08 0.29 -0.57 1.25 2.35 -0.24 -3.00 115.58 116.75 2nup h ASN 401 Ca 0.29 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.82 2nup h ASN 401 Cb -0.05 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 2nup h ASN 401 CO -0.05 0.71 0.05 0.11 -1.65 0.00 0.00 177.43 176.59 2nup h LYS 402 N 0.22 0.96 0.00 0.81 1.57 -1.13 -2.64 116.57 116.36 2nup h LYS 402 Ca 0.02 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 2nup h LYS 402 Cb 0.89 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 2nup h LYS 402 CO 0.07 0.94 -0.07 0.00 -0.57 0.00 0.00 179.45 179.83 2nup h ALA 403 N 0.98 1.53 -5.06 3.86 0.00 -1.34 -3.45 119.26 115.78 2nup h ALA 403 Ca 0.17 -0.06 -0.40 0.00 0.00 0.00 0.00 54.91 54.61 2nup h ALA 403 Cb 0.48 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.28 2nup h ALA 403 CO 0.02 0.08 -0.62 1.63 0.00 0.00 0.00 179.25 180.37 2nup n LYS 404 N -3.94 -4.90 -4.86 0.00 4.76 -1.00 -4.56 118.16 103.68 2nup n LYS 404 Ca -0.03 0.76 -0.26 0.00 -2.87 0.00 0.00 58.31 55.92 2nup n LYS 404 Cb 0.16 -5.60 -0.16 0.00 -1.84 0.00 0.00 35.03 27.59 2nup n LYS 404 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2nup s LEU 405 N -6.76 1.99 0.23 -0.35 1.43 -1.26 -4.30 118.68 109.65 2nup s LEU 405 Ca 0.40 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 52.86 2nup s LEU 405 Cb -0.19 -0.95 -0.09 0.00 0.03 0.00 0.00 46.19 45.00 2nup s LEU 405 CO 0.49 0.19 1.22 -2.16 0.23 0.00 0.00 176.35 176.32 2nup s PRO 406 N -0.24 4.48 -0.22 1.29 0.04 -1.26 -4.93 135.00 134.15 2nup s PRO 406 Ca 0.03 1.95 -0.08 0.00 0.04 0.00 0.00 61.00 62.94 2nup s PRO 406 Cb -0.09 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 2nup s PRO 406 CO 0.00 -0.07 0.10 -1.17 0.04 0.00 0.00 177.00 175.90 2nup s LEU 407 N -0.73 3.81 -0.05 -3.56 2.96 -1.26 -4.70 118.68 115.15 2nup s LEU 407 Ca 0.51 0.00 -0.31 0.00 -0.22 0.00 0.00 54.13 54.11 2nup s LEU 407 Cb -0.34 -2.00 0.13 0.00 0.50 0.00 0.00 46.19 44.47 2nup s LEU 407 CO 0.41 0.07 1.35 -0.83 -1.32 0.00 0.00 176.35 176.03 2nup s GLY 408 N 1.01 -0.44 0.20 7.98 0.00 -1.26 -0.60 107.32 114.21 2nup s GLY 408 Ca 0.05 0.78 0.10 0.00 0.00 0.00 0.00 44.72 45.65 2nup s GLY 408 CO 0.03 0.38 -0.16 1.08 0.00 0.00 0.00 173.10 174.44 2nup s LEU 409 N -3.02 2.73 -0.05 0.66 1.43 -0.11 -1.70 118.68 118.61 2nup s LEU 409 Ca 0.15 -0.73 0.04 0.00 -1.03 0.00 0.00 54.13 52.56 2nup s LEU 409 Cb 0.06 -1.42 -0.00 0.00 0.03 0.00 0.00 46.19 44.85 2nup s LEU 409 CO -0.05 0.10 -0.18 -0.76 0.23 0.00 0.00 176.35 175.69 2nup s LEU 410 N -2.85 1.93 0.03 1.79 1.02 -0.34 0.17 118.68 120.43 2nup s LEU 410 Ca 0.24 -0.38 0.00 0.00 0.02 0.00 0.00 54.13 54.01 2nup s LEU 410 Cb -0.08 -1.04 -0.02 0.00 0.02 0.00 0.00 46.19 45.06 2nup s LEU 410 CO 0.13 0.16 -0.04 -1.48 0.02 0.00 0.00 176.35 175.14 2nup s LEU 411 N 0.07 2.29 -0.37 1.79 2.34 0.51 -1.72 118.68 123.59 2nup s LEU 411 Ca -0.05 -0.60 0.14 0.00 0.06 0.00 0.00 54.13 53.67 2nup s LEU 411 Cb -0.12 0.06 0.43 0.00 -0.56 0.00 0.00 46.19 45.99 2nup s LEU 411 CO 0.03 -0.33 0.94 1.57 -1.06 0.00 0.00 176.35 177.50 2nup n HIS 412 N 1.29 1.60 -0.47 3.48 -0.00 -0.39 -0.89 115.22 119.85 2nup n HIS 412 Ca -0.22 -3.11 0.42 0.00 0.46 0.00 0.00 57.72 55.27 2nup n HIS 412 Cb 0.56 -0.34 0.77 0.00 -0.12 0.00 0.00 29.99 30.87 2nup n HIS 412 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2nup h PRO 413 N 2.92 0.01 -0.32 1.57 0.13 -1.84 -2.00 132.00 132.47 2nup h PRO 413 Ca 0.03 -0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.10 2nup h PRO 413 Cb 1.05 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.14 2nup h PRO 413 CO 0.59 0.01 0.01 0.34 -0.23 0.00 0.00 178.00 178.72 2nup n PHE 414 N -4.12 1.10 -1.81 1.56 7.35 -1.26 -5.00 117.46 115.28 2nup n PHE 414 Ca 0.33 -1.07 -0.38 0.00 -0.76 0.00 0.00 57.45 55.56 2nup n PHE 414 Cb 1.53 -0.39 0.04 0.00 0.35 0.00 0.00 39.48 41.01 2nup n PHE 414 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 2nup s LYS 415 N -2.94 3.22 0.03 -4.13 2.20 -0.75 -4.08 119.74 113.29 2nup s LYS 415 Ca 0.44 2.23 -0.30 0.00 -0.36 0.00 0.00 55.97 57.97 2nup s LYS 415 Cb 0.36 -2.30 -0.08 0.00 -1.51 0.00 0.00 37.83 34.31 2nup s LYS 415 CO 0.07 -1.12 1.75 -0.51 -0.36 0.00 0.00 175.35 175.18 2nup s ASP 416 N -0.93 6.57 0.21 1.43 1.01 -1.26 -4.98 116.67 118.72 2nup s ASP 416 Ca 0.70 2.48 0.04 0.00 0.71 0.00 0.00 52.55 56.49 2nup s ASP 416 Cb -0.40 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 40.95 2nup s ASP 416 CO 0.48 -0.95 0.34 -0.76 0.21 0.00 0.00 175.17 174.49 2nup s LEU 417 N 3.53 4.32 0.03 1.23 1.43 -1.26 -5.03 118.68 122.92 2nup s LEU 417 Ca 0.78 0.11 0.05 0.00 -1.03 0.00 0.00 54.13 54.05 2nup s LEU 417 Cb -0.39 -2.89 -0.24 0.00 0.03 0.00 0.00 46.19 42.70 2nup s LEU 417 CO 0.34 -0.04 0.94 0.58 0.23 0.00 0.00 176.35 178.40 2nup h VAL 418 N 1.30 1.25 -2.40 -1.59 2.07 -2.06 -3.45 116.25 111.37 2nup h VAL 418 Ca -0.51 -2.98 -0.10 0.00 0.82 0.00 0.00 66.70 63.94 2nup h VAL 418 Cb 1.22 2.68 -0.27 0.00 -1.52 0.00 0.00 31.29 33.39 2nup h VAL 418 CO 0.63 0.77 -0.38 0.00 0.02 0.00 0.00 177.57 178.62 2nup s GLN 419 N -2.64 0.33 -0.13 1.57 -2.07 -1.26 -5.16 119.66 110.30 2nup s GLN 419 Ca -0.04 0.98 0.03 0.00 -1.82 0.00 0.00 55.36 54.50 2nup s GLN 419 Cb 0.08 0.24 0.00 0.00 -1.09 0.00 0.00 33.01 32.25 2nup s GLN 419 CO 0.83 -0.31 -0.21 -1.17 -1.32 0.00 0.00 175.29 173.11 2nup s LEU 420 N 2.61 2.17 0.10 2.60 2.96 -1.26 -5.09 118.68 122.77 2nup s LEU 420 Ca 0.01 -0.57 -0.30 0.00 -0.22 0.00 0.00 54.13 53.05 2nup s LEU 420 Cb -0.12 -1.46 -0.06 0.00 0.50 0.00 0.00 46.19 45.05 2nup s LEU 420 CO -0.13 0.11 1.13 -2.84 -1.32 0.00 0.00 176.35 173.30 2nup s PRO 421 N 0.66 4.51 -0.30 0.98 0.02 -1.26 -4.92 135.00 134.69 2nup s PRO 421 Ca -0.10 1.71 0.03 0.00 0.02 0.00 0.00 61.00 62.66 2nup s PRO 421 Cb -0.16 -3.33 0.08 0.00 0.02 0.00 0.00 34.50 31.11 2nup s PRO 421 CO 0.02 -0.10 -0.03 0.08 -0.33 0.00 0.00 177.00 176.64 2nup s VAL 422 N 0.53 2.20 -0.07 3.83 1.01 -1.26 -0.53 120.40 126.11 2nup s VAL 422 Ca 0.54 -1.98 -0.26 0.00 0.00 0.00 0.00 61.98 60.28 2nup s VAL 422 Cb -0.28 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 2nup s VAL 422 CO 0.31 -0.32 0.84 -0.69 0.00 0.00 0.00 175.10 175.25 2nup s VAL 423 N 1.01 4.93 -0.22 2.92 1.01 -0.54 -4.92 120.40 124.60 2nup s VAL 423 Ca 0.01 1.73 0.15 0.00 0.00 0.00 0.00 61.98 63.87 2nup s VAL 423 Cb -0.19 -4.17 0.62 0.00 0.00 0.00 0.00 36.38 32.64 2nup s VAL 423 CO -0.07 0.15 1.55 0.35 0.00 0.00 0.00 175.10 177.08 2nup n THR 424 N 4.09 2.50 -1.68 3.92 -2.24 -1.26 -2.78 114.28 116.83 2nup n THR 424 Ca 0.03 -1.80 -0.65 0.00 -2.27 0.00 0.00 64.05 59.36 2nup n THR 424 Cb 0.50 -0.28 -0.09 0.00 -2.10 0.00 0.00 70.33 68.36 2nup n THR 424 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2nup n SER 425 N -0.25 0.91 0.00 3.42 7.64 -1.26 -4.74 113.62 119.35 2nup n SER 425 Ca 0.26 1.18 0.03 0.00 1.01 0.00 0.00 58.87 61.35 2nup n SER 425 Cb 1.03 -0.90 0.17 0.00 -1.01 0.00 0.00 64.21 63.50 2nup n SER 425 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2nup n SER 426 N 3.33 0.00 -3.75 6.43 7.64 -1.26 -4.44 113.62 121.57 2nup n SER 426 Ca 0.28 0.23 -0.12 0.00 1.01 0.00 0.00 58.87 60.26 2nup n SER 426 Cb -0.01 -0.31 -0.12 0.00 -1.01 0.00 0.00 64.21 62.75 2nup n SER 426 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2nup s THR 427 N -2.63 -0.02 -0.30 0.44 -1.32 -1.26 -5.07 115.64 105.48 2nup s THR 427 Ca 0.06 0.07 -0.13 0.00 -1.21 0.00 0.00 61.69 60.48 2nup s THR 427 Cb 0.05 -0.42 -0.03 0.00 -1.51 0.00 0.00 72.50 70.58 2nup s THR 427 CO 0.11 0.03 0.27 -0.63 -2.21 0.00 0.00 174.62 172.18 2nup s ILE 428 N 0.74 5.25 -0.37 5.08 -1.09 -1.26 -5.04 121.20 124.52 2nup s ILE 428 Ca -0.05 0.16 -0.29 0.00 -2.23 0.00 0.00 60.65 58.24 2nup s ILE 428 Cb -0.06 -3.65 0.01 0.00 -1.58 0.00 0.00 42.46 37.18 2nup s ILE 428 CO -0.05 0.12 1.29 -0.69 -1.23 0.00 0.00 174.94 174.38 2nup s VAL 429 N 1.86 4.12 -0.10 2.92 1.01 -1.26 -4.99 120.40 123.96 2nup s VAL 429 Ca 0.09 1.21 -0.03 0.00 0.00 0.00 0.00 61.98 63.25 2nup s VAL 429 Cb -0.16 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 31.99 2nup s VAL 429 CO 0.11 -0.65 0.07 -0.13 0.00 0.00 0.00 175.10 174.50 2nup s ARG 430 N 4.40 -0.00 0.03 2.72 0.52 -1.26 -1.52 118.95 123.84 2nup s ARG 430 Ca 0.55 0.17 -0.16 0.00 -0.52 0.00 0.00 55.73 55.77 2nup s ARG 430 Cb -0.14 -1.11 -0.08 0.00 0.52 0.00 0.00 34.95 34.14 2nup s ARG 430 CO 0.27 -0.48 0.39 0.00 0.02 0.00 0.00 175.30 175.50 2nup h ARG 432 N 1.03 0.00 0.00 0.00 3.08 -1.93 -1.90 114.38 114.67 2nup h ARG 432 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.86 2nup h ARG 432 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 2nup h ARG 432 CO 0.28 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.61 2nup n SER 433 N -2.77 0.00 -0.50 7.04 7.64 -1.26 -4.67 113.62 119.10 2nup n SER 433 Ca 0.01 0.16 0.11 0.00 1.01 0.00 0.00 58.87 60.16 2nup n SER 433 Cb 0.24 -0.33 0.43 0.00 -1.01 0.00 0.00 64.21 63.54 2nup n SER 433 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nup n ARG 435 N 0.21 -1.24 -2.19 0.00 5.12 -0.71 -4.98 116.66 112.88 2nup n ARG 435 Ca 0.17 0.98 -0.41 0.00 -1.93 0.00 0.00 57.85 56.66 2nup n ARG 435 Cb 0.32 -5.18 -0.03 0.00 -1.16 0.00 0.00 32.46 26.41 2nup n ARG 435 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2nup s THR 436 N -2.39 2.93 0.02 0.55 2.01 -1.26 -4.61 115.64 112.90 2nup s THR 436 Ca 0.00 0.89 -0.30 0.00 0.31 0.00 0.00 61.69 62.59 2nup s THR 436 Cb 0.00 -3.57 -0.05 0.00 0.01 0.00 0.00 72.50 68.89 2nup s THR 436 CO 0.00 0.20 1.32 -0.31 -0.69 0.00 0.00 174.62 175.13 2nup s TYR 437 N -0.86 3.11 -0.52 4.92 2.02 -1.26 -1.13 117.35 123.63 2nup s TYR 437 Ca 0.50 1.02 -0.36 0.00 -0.37 0.00 0.00 57.07 57.86 2nup s TYR 437 Cb -0.38 -3.57 -0.15 0.00 -0.40 0.00 0.00 41.96 37.47 2nup s TYR 437 CO 0.48 -1.97 2.30 1.51 -1.57 0.00 0.00 175.55 176.30 2nup n ILE 438 N 4.38 0.08 -4.02 2.71 0.13 -0.58 -4.88 119.36 117.19 2nup n ILE 438 Ca 0.12 -0.21 -0.26 0.00 -1.10 0.00 0.00 62.75 61.30 2nup n ILE 438 Cb 0.44 -1.28 -0.03 0.00 -0.84 0.00 0.00 39.64 37.93 2nup n ILE 438 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2nup s ASN 439 N 7.83 4.56 0.50 9.51 4.22 -1.26 -4.51 114.94 135.79 2nup s ASN 439 Ca 1.16 -1.20 0.34 0.00 -2.14 0.00 0.00 52.86 51.02 2nup s ASN 439 Cb -1.02 0.09 1.76 0.00 1.28 0.00 0.00 41.25 43.36 2nup s ASN 439 CO 0.51 -0.88 2.03 -0.65 -2.04 0.00 0.00 177.10 176.07 2nup h PRO 440 N 1.03 0.00 -0.62 3.55 0.11 -1.67 -2.79 132.00 131.61 2nup h PRO 440 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2nup h PRO 440 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2nup h PRO 440 CO 0.63 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.61 2nup n PHE 441 N -2.73 1.28 -1.03 0.65 3.72 -1.26 -4.95 117.46 113.14 2nup n PHE 441 Ca -0.02 -0.59 -0.30 0.00 -0.05 0.00 0.00 57.45 56.49 2nup n PHE 441 Cb 0.10 -0.18 0.25 0.00 -0.94 0.00 0.00 39.48 38.71 2nup n PHE 441 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2nup s VAL 442 N -1.66 1.53 -0.30 -4.37 -7.23 -1.05 -4.66 120.40 102.65 2nup s VAL 442 Ca 0.48 0.00 0.01 0.00 -1.81 0.00 0.00 61.98 60.66 2nup s VAL 442 Cb 0.30 -2.46 0.09 0.00 0.56 0.00 0.00 36.38 34.87 2nup s VAL 442 CO 0.25 0.00 0.05 -0.44 -0.31 0.00 0.00 175.10 174.65 2nup s SER 443 N -3.91 4.26 -0.09 4.85 0.01 -0.88 -4.97 113.70 112.98 2nup s SER 443 Ca 0.71 -1.73 -0.30 0.00 1.31 0.00 0.00 55.95 55.94 2nup s SER 443 Cb -0.09 -1.21 -0.02 0.00 0.21 0.00 0.00 66.02 64.91 2nup s SER 443 CO 0.56 -0.37 1.11 -0.36 0.41 0.00 0.00 173.24 174.59 2nup s PHE 444 N 1.31 3.33 0.00 2.43 0.08 -1.26 -0.80 117.98 123.07 2nup s PHE 444 Ca 0.07 1.39 0.00 0.00 0.12 0.00 0.00 56.93 58.51 2nup s PHE 444 Cb -0.18 -3.31 0.00 0.00 -0.57 0.00 0.00 43.02 38.96 2nup s PHE 444 CO -0.15 -0.79 0.00 -0.11 -0.10 0.00 0.00 175.22 174.08 2nup n LEU 445 N 5.24 0.00 -0.58 -0.37 7.94 -1.02 -4.78 117.00 123.41 2nup n LEU 445 Ca 0.10 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.00 2nup n LEU 445 Cb 0.47 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.42 2nup n LEU 445 CO 0.54 0.00 0.04 0.47 -1.11 0.00 0.00 177.39 177.33 2nup n ASP 446 N -0.56 0.20 -1.13 1.96 8.00 -1.19 -4.69 116.55 119.13 2nup n ASP 446 Ca 0.00 -0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.21 2nup n ASP 446 Cb 0.00 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 2nup n ASP 446 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2nup n GLN 447 N 0.51 -1.24 0.00 -1.24 7.27 -1.26 -3.63 117.38 117.79 2nup n GLN 447 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2nup n GLN 447 Cb 0.04 -3.43 0.00 0.00 2.41 0.00 0.00 30.24 29.26 2nup n GLN 447 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2nup n ARG 448 N -1.11 0.00 -4.05 3.69 1.74 -1.26 -4.83 116.66 110.83 2nup n ARG 448 Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 2nup n ARG 448 Cb 0.09 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.38 2nup n ARG 448 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2nup s ARG 449 N 0.00 0.47 -0.02 5.56 0.52 -1.24 -0.32 118.95 123.92 2nup s ARG 449 Ca 0.00 -0.04 0.05 0.00 -0.52 0.00 0.00 55.73 55.21 2nup s ARG 449 Cb 0.00 -0.55 -0.01 0.00 0.52 0.00 0.00 34.95 34.91 2nup s ARG 449 CO 0.00 -0.05 -0.16 1.67 0.02 0.00 0.00 175.30 176.78 2nup s TRP 450 N 0.67 1.50 -0.22 -0.53 1.48 0.82 -2.45 118.94 120.21 2nup s TRP 450 Ca -0.07 -0.33 -0.21 0.00 -1.06 0.00 0.00 56.10 54.43 2nup s TRP 450 Cb -0.11 -0.99 -0.02 0.00 -1.16 0.00 0.00 33.47 31.19 2nup s TRP 450 CO -0.01 -0.07 0.63 0.21 -4.06 0.00 0.00 176.95 173.66 2nup s LYS 451 N -0.24 4.18 0.17 3.25 2.20 0.02 0.59 119.74 129.90 2nup s LYS 451 Ca 0.03 0.60 -0.32 0.00 -0.36 0.00 0.00 55.97 55.92 2nup s LYS 451 Cb -0.08 -3.60 -0.11 0.00 -1.51 0.00 0.00 37.83 32.53 2nup s LYS 451 CO 0.00 -0.30 1.78 0.00 -0.36 0.00 0.00 175.35 176.47 2nup n ASN 453 N 4.77 0.35 -0.02 0.00 6.94 -1.26 -1.10 115.26 124.94 2nup n ASN 453 Ca 0.17 -1.57 -0.02 0.00 -0.02 0.00 0.00 54.58 53.14 2nup n ASN 453 Cb 0.36 -0.03 -0.03 0.00 -2.36 0.00 0.00 39.78 37.73 2nup n ASN 453 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2nup n LEU 454 N -0.52 0.06 -0.25 -4.53 4.32 -1.26 -4.36 117.00 110.47 2nup n LEU 454 Ca 0.12 -0.00 0.02 0.00 -0.02 0.00 0.00 56.01 56.13 2nup n LEU 454 Cb 0.11 0.09 0.03 0.00 -1.62 0.00 0.00 43.42 42.03 2nup n LEU 454 CO 0.09 0.11 0.34 0.00 -1.22 0.00 0.00 177.39 176.72 2nup n TYR 456 N -0.35 0.00 -2.23 0.00 4.01 -0.26 -4.93 117.16 113.41 2nup n TYR 456 Ca 0.03 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.42 2nup n TYR 456 Cb 0.60 -1.02 0.00 0.00 -0.31 0.00 0.00 39.34 38.61 2nup n TYR 456 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2nup s ARG 457 N -0.63 3.43 -0.08 -0.72 3.52 -1.26 -4.41 118.95 118.80 2nup s ARG 457 Ca 0.00 1.69 -0.16 0.00 -0.13 0.00 0.00 55.73 57.14 2nup s ARG 457 Cb 0.00 -2.12 -0.05 0.00 -1.56 0.00 0.00 34.95 31.22 2nup s ARG 457 CO 0.00 -0.81 0.40 0.08 -0.81 0.00 0.00 175.30 174.17 2nup s VAL 458 N -1.68 5.16 0.14 7.11 1.01 -1.26 0.41 120.40 131.28 2nup s VAL 458 Ca 0.71 0.81 0.11 0.00 0.00 0.00 0.00 61.98 63.60 2nup s VAL 458 Cb -0.26 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 2nup s VAL 458 CO 0.30 0.44 -0.24 0.20 0.00 0.00 0.00 175.10 175.80 2nup s ASN 459 N -0.10 3.47 -0.42 3.32 0.01 0.20 -4.91 114.94 116.50 2nup s ASN 459 Ca 0.23 -0.73 -0.23 0.00 -0.71 0.00 0.00 52.86 51.42 2nup s ASN 459 Cb -0.15 -0.30 0.02 0.00 0.41 0.00 0.00 41.25 41.23 2nup s ASN 459 CO 0.10 0.17 0.76 -1.81 -1.51 0.00 0.00 177.10 174.80 2nup s ASP 460 N -2.21 6.44 0.14 -1.22 1.01 -1.26 -0.13 116.67 119.44 2nup s ASP 460 Ca 0.16 0.01 -0.31 0.00 0.71 0.00 0.00 52.55 53.12 2nup s ASP 460 Cb -0.10 -2.38 -0.10 0.00 1.01 0.00 0.00 42.92 41.36 2nup s ASP 460 CO 0.08 -0.83 1.65 -0.69 0.21 0.00 0.00 175.17 175.59 2nup s VAL 461 N 3.14 2.60 0.57 -1.27 1.01 0.56 -4.96 120.40 122.05 2nup s VAL 461 Ca 0.29 0.33 -0.16 0.00 0.00 0.00 0.00 61.98 62.44 2nup s VAL 461 Cb -0.13 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 2nup s VAL 461 CO 0.20 0.02 1.03 -2.16 0.00 0.00 0.00 175.10 174.18 2nup s PRO 462 N 1.71 3.56 -1.17 2.72 0.04 -1.26 -4.88 135.00 135.72 2nup s PRO 462 Ca 0.73 1.07 -0.17 0.00 0.04 0.00 0.00 61.00 62.68 2nup s PRO 462 Cb -0.44 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 31.97 2nup s PRO 462 CO 0.32 -0.60 2.15 -1.91 0.04 0.00 0.00 177.00 177.00 2nup n GLU 463 N -1.93 2.33 0.00 4.56 4.07 -1.26 -1.18 120.64 127.22 2nup n GLU 463 Ca 0.08 -2.22 0.00 0.00 -0.06 0.00 0.00 57.16 54.96 2nup n GLU 463 Cb 0.53 -3.07 0.00 0.00 -0.06 0.00 0.00 31.44 28.84 2nup n GLU 463 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2nup n GLU 464 N 6.21 0.00 0.00 5.31 1.02 -1.26 -4.88 120.64 127.04 2nup n GLU 464 Ca 0.52 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.82 2nup n GLU 464 Cb 0.37 0.00 0.83 0.00 -0.02 0.00 0.00 31.44 32.63 2nup n GLU 464 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2nup n PHE 465 N -0.34 0.00 -4.03 -0.32 7.35 -0.33 -5.10 117.46 114.69 2nup n PHE 465 Ca 0.00 0.00 -0.24 0.00 -0.76 0.00 0.00 57.45 56.45 2nup n PHE 465 Cb 0.00 -0.13 -0.04 0.00 0.35 0.00 0.00 39.48 39.66 2nup n PHE 465 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 2nup s LEU 466 N -2.27 4.08 0.00 -2.13 2.96 -1.26 -4.62 118.68 115.44 2nup s LEU 466 Ca 0.38 -0.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 2nup s LEU 466 Cb 0.21 -2.64 0.00 0.00 0.50 0.00 0.00 46.19 44.26 2nup s LEU 466 CO 0.41 0.00 0.00 -0.62 -1.32 0.00 0.00 176.35 174.83 2nup n GLU 476 N -0.88 0.00 0.28 1.98 1.02 -1.26 -5.09 120.64 116.69 2nup n GLU 476 Ca -0.08 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.20 2nup n GLU 476 Cb 0.56 0.00 0.81 0.00 -0.02 0.00 0.00 31.44 32.79 2nup n GLU 476 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2nup h PRO 477 N 0.17 0.00 0.00 3.49 0.13 -1.88 -1.73 132.00 132.18 2nup h PRO 477 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2nup h PRO 477 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2nup h PRO 477 CO 0.00 0.08 0.00 -2.39 -0.23 0.00 0.00 178.00 175.46 2nup n HIS 478 N -3.60 0.00 0.36 1.56 1.44 -1.26 -2.69 115.22 111.03 2nup n HIS 478 Ca -0.02 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.80 2nup n HIS 478 Cb 0.19 -0.05 -0.09 0.00 0.12 0.00 0.00 29.99 30.16 2nup n HIS 478 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 2nup n ARG 479 N -1.05 0.42 -1.56 -1.40 3.00 -0.65 -4.79 116.66 110.63 2nup n ARG 479 Ca 0.19 -0.08 -0.43 0.00 -0.00 0.00 0.00 57.85 57.54 2nup n ARG 479 Cb 0.11 -1.56 -0.00 0.00 0.00 0.00 0.00 32.46 31.01 2nup n ARG 479 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2nup n ARG 480 N -2.06 1.15 -0.36 -0.14 3.00 -1.10 -4.82 116.66 112.34 2nup n ARG 480 Ca -0.00 0.41 0.07 0.00 -0.00 0.00 0.00 57.85 58.33 2nup n ARG 480 Cb 0.48 -1.83 0.24 0.00 0.00 0.00 0.00 32.46 31.36 2nup n ARG 480 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 2nup h PRO 481 N 1.55 0.96 0.00 -0.14 0.11 -1.93 -2.21 132.00 130.34 2nup h PRO 481 Ca -0.41 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2nup h PRO 481 Cb 1.35 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2nup h PRO 481 CO 0.57 0.63 0.00 0.39 -0.21 0.00 0.00 178.00 179.39 2nup n GLU 482 N -4.63 0.01 0.00 1.05 4.71 -1.26 -1.01 120.64 119.51 2nup n GLU 482 Ca 0.19 0.50 0.03 0.00 -0.01 0.00 0.00 57.16 57.87 2nup n GLU 482 Cb 0.37 -1.54 0.00 0.00 -1.01 0.00 0.00 31.44 29.26 2nup n GLU 482 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2nup n VAL 483 N -1.56 0.00 0.76 2.62 0.31 -0.84 -3.76 118.33 115.86 2nup n VAL 483 Ca 0.00 -0.43 0.09 0.00 -0.01 0.00 0.00 64.34 63.98 2nup n VAL 483 Cb 0.01 1.09 0.04 0.00 -0.91 0.00 0.00 33.84 34.07 2nup n VAL 483 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nup n GLN 484 N -0.25 1.57 -3.96 5.55 1.13 -0.18 -3.85 117.38 117.38 2nup n GLN 484 Ca 0.03 -1.22 -0.21 0.00 -1.94 0.00 0.00 57.00 53.66 2nup n GLN 484 Cb 0.15 -1.33 -0.17 0.00 0.11 0.00 0.00 30.24 29.00 2nup n GLN 484 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2nup s ASN 485 N -1.76 1.15 0.24 1.08 0.01 -1.00 -4.99 114.94 109.67 2nup s ASN 485 Ca 0.18 -0.10 0.06 0.00 -0.71 0.00 0.00 52.86 52.29 2nup s ASN 485 Cb 0.15 -0.42 0.25 0.00 0.41 0.00 0.00 41.25 41.63 2nup s ASN 485 CO 0.33 -0.12 1.55 0.00 -1.51 0.00 0.00 177.10 177.35 2nup h ALA 486 N 7.68 0.84 -3.19 0.60 0.00 -1.89 -3.42 119.26 119.88 2nup h ALA 486 Ca -0.31 -0.58 -0.65 0.00 0.00 0.00 0.00 54.91 53.37 2nup h ALA 486 Cb 1.14 -0.09 -0.26 0.00 0.00 0.00 0.00 17.79 18.57 2nup h ALA 486 CO 0.38 0.77 -0.74 0.99 0.00 0.00 0.00 179.25 180.66 2nup s THR 487 N -3.63 3.28 -0.03 0.00 2.01 -1.26 -1.71 115.64 114.29 2nup s THR 487 Ca -0.03 -0.56 -0.29 0.00 0.31 0.00 0.00 61.69 61.12 2nup s THR 487 Cb 0.12 -2.43 0.07 0.00 0.01 0.00 0.00 72.50 70.27 2nup s THR 487 CO 0.79 0.48 0.65 -0.51 -0.69 0.00 0.00 174.62 175.34 2nup s ILE 488 N 0.78 0.00 -0.17 1.82 2.07 -0.80 -4.53 121.20 120.37 2nup s ILE 488 Ca -0.03 -0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.18 2nup s ILE 488 Cb -0.15 -0.98 0.01 0.00 0.13 0.00 0.00 42.46 41.47 2nup s ILE 488 CO 0.01 -0.02 -0.17 -0.70 -1.91 0.00 0.00 174.94 172.16 2nup s GLU 489 N -1.37 3.11 0.47 3.50 2.12 0.31 -1.14 118.70 125.70 2nup s GLU 489 Ca -0.10 -0.79 0.00 0.00 0.36 0.00 0.00 54.97 54.44 2nup s GLU 489 Cb -0.00 -2.61 0.00 0.00 0.26 0.00 0.00 34.13 31.78 2nup s GLU 489 CO 0.08 -0.11 0.70 -0.06 -0.54 0.00 0.00 175.26 175.33 2nup s PHE 490 N 1.09 3.16 -0.39 5.30 0.08 0.21 -1.46 117.98 125.96 2nup s PHE 490 Ca -0.00 0.20 -0.07 0.00 0.12 0.00 0.00 56.93 57.18 2nup s PHE 490 Cb -0.14 -2.40 0.07 0.00 -0.57 0.00 0.00 43.02 39.98 2nup s PHE 490 CO -0.06 -0.46 0.21 -1.64 -0.10 0.00 0.00 175.22 173.16 2nup s MET 491 N -4.60 2.52 0.46 0.44 -1.94 -1.12 -1.41 119.30 113.66 2nup s MET 491 Ca 0.50 -1.43 -0.24 0.00 -1.71 0.00 0.00 55.69 52.81 2nup s MET 491 Cb -0.10 -3.66 -0.08 0.00 2.01 0.00 0.00 34.83 33.00 2nup s MET 491 CO 0.38 -0.89 1.21 0.00 -0.01 0.00 0.00 175.02 175.71 2nup n ALA 492 N 4.84 1.03 -1.96 3.03 0.00 -0.35 -4.90 120.51 122.20 2nup n ALA 492 Ca -0.10 0.20 -0.28 0.00 0.00 0.00 0.00 53.44 53.27 2nup n ALA 492 Cb 0.43 -2.23 0.17 0.00 0.00 0.00 0.00 19.45 17.82 2nup n ALA 492 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2nup s PRO 493 N -2.35 0.80 0.63 0.00 0.04 -1.26 -4.82 135.00 128.04 2nup s PRO 493 Ca 0.65 -0.79 0.33 0.00 0.04 0.00 0.00 61.00 61.23 2nup s PRO 493 Cb -0.49 -2.01 1.86 0.00 0.04 0.00 0.00 34.50 33.89 2nup s PRO 493 CO 0.55 -2.20 2.13 1.03 0.04 0.00 0.00 177.00 178.55 2nup h SER 494 N -1.33 0.00 -0.24 6.66 0.87 -1.97 -2.19 113.55 115.35 2nup h SER 494 Ca -0.40 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 2nup h SER 494 Cb 1.23 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2nup h SER 494 CO 0.34 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 176.02 2nup n GLU 495 N -3.39 2.20 -0.91 2.24 4.71 -1.26 -4.13 120.64 120.10 2nup n GLU 495 Ca -0.00 -1.80 -0.04 0.00 -0.01 0.00 0.00 57.16 55.31 2nup n GLU 495 Cb 0.27 -1.47 0.29 0.00 -1.01 0.00 0.00 31.44 29.52 2nup n GLU 495 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2nup n TYR 496 N 1.05 2.17 -3.79 -0.32 0.53 -0.82 -4.87 117.16 111.11 2nup n TYR 496 Ca 0.18 -1.02 -0.13 0.00 -1.02 0.00 0.00 57.90 55.91 2nup n TYR 496 Cb 0.51 -0.61 -0.12 0.00 -1.03 0.00 0.00 39.34 38.09 2nup n TYR 496 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2nup s MET 497 N -2.70 0.29 0.00 -0.72 0.23 -1.26 -4.98 119.30 110.16 2nup s MET 497 Ca 0.49 0.33 0.26 0.00 -1.03 0.00 0.00 55.69 55.74 2nup s MET 497 Cb 0.39 0.14 0.75 0.00 -1.53 0.00 0.00 34.83 34.58 2nup s MET 497 CO 0.13 -0.04 1.58 1.28 -2.03 0.00 0.00 175.02 175.94 2nup n LEU 498 N 2.93 0.46 -3.61 0.18 4.32 -1.26 -4.95 117.00 115.07 2nup n LEU 498 Ca -0.13 0.07 -0.06 0.00 -0.02 0.00 0.00 56.01 55.87 2nup n LEU 498 Cb 0.58 -0.28 -0.02 0.00 -1.62 0.00 0.00 43.42 42.09 2nup n LEU 498 CO 0.18 0.10 0.73 0.00 -1.22 0.00 0.00 177.39 177.19 2nup s ARG 499 N -2.89 0.92 0.24 3.23 1.70 -1.26 -5.13 118.95 115.76 2nup s ARG 499 Ca 0.15 -0.43 -0.31 0.00 -0.47 0.00 0.00 55.73 54.67 2nup s ARG 499 Cb 0.18 0.37 -0.14 0.00 -0.57 0.00 0.00 34.95 34.79 2nup s ARG 499 CO 0.62 -0.41 1.19 -2.30 -1.08 0.00 0.00 175.30 173.32 2nup n PRO 500 N -0.34 1.51 -1.69 3.89 -0.02 -1.26 -4.72 135.00 132.36 2nup n PRO 500 Ca -0.07 0.53 -0.59 0.00 -2.02 0.00 0.00 63.50 61.35 2nup n PRO 500 Cb 0.61 -2.04 -0.08 0.00 -0.02 0.00 0.00 33.50 31.98 2nup n PRO 500 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2nup n PRO 501 N 1.43 0.85 -2.10 0.52 -0.02 -1.26 -4.86 135.00 129.55 2nup n PRO 501 Ca 0.12 0.31 -0.35 0.00 -2.02 0.00 0.00 63.50 61.55 2nup n PRO 501 Cb 0.29 -1.94 0.02 0.00 -0.02 0.00 0.00 33.50 31.85 2nup n PRO 501 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2nup s GLN 502 N 2.84 3.13 0.87 -0.52 -2.07 -1.26 -4.96 119.66 117.68 2nup s GLN 502 Ca 0.98 1.69 -0.12 0.00 -1.82 0.00 0.00 55.36 56.08 2nup s GLN 502 Cb -1.16 -1.97 0.15 0.00 -1.09 0.00 0.00 33.01 28.94 2nup s GLN 502 CO 0.66 -1.05 1.22 -1.25 -1.32 0.00 0.00 175.29 173.55 2nup s PRO 503 N -3.37 1.26 -0.14 9.60 0.04 -1.26 -4.77 135.00 136.36 2nup s PRO 503 Ca 0.74 -0.34 -0.27 0.00 0.04 0.00 0.00 61.00 61.17 2nup s PRO 503 Cb -0.26 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 2nup s PRO 503 CO 0.31 -1.97 0.92 -1.25 0.04 0.00 0.00 177.00 175.04 2nup s PRO 504 N -5.66 4.36 -0.13 0.56 0.04 -1.26 -4.92 135.00 127.99 2nup s PRO 504 Ca 0.69 1.20 0.01 0.00 0.04 0.00 0.00 61.00 62.93 2nup s PRO 504 Cb -0.07 -3.56 0.02 0.00 0.04 0.00 0.00 34.50 30.94 2nup s PRO 504 CO 0.50 -0.32 -0.15 0.08 0.04 0.00 0.00 177.00 177.15 2nup s VAL 505 N 2.07 1.57 -0.23 -0.36 1.01 -1.26 -0.38 120.40 122.82 2nup s VAL 505 Ca 0.43 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.76 2nup s VAL 505 Cb -0.17 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 34.78 2nup s VAL 505 CO 0.15 0.46 -0.11 -0.31 0.00 0.00 0.00 175.10 175.29 2nup s TYR 506 N 1.29 3.04 -0.25 5.22 2.02 -0.17 -0.84 117.35 127.65 2nup s TYR 506 Ca 0.00 -1.73 0.01 0.00 -0.37 0.00 0.00 57.07 54.99 2nup s TYR 506 Cb -0.14 -2.00 0.05 0.00 -0.40 0.00 0.00 41.96 39.47 2nup s TYR 506 CO -0.07 -0.78 -0.10 -1.17 -1.57 0.00 0.00 175.55 171.86 2nup s LEU 507 N 1.27 3.27 0.00 -1.29 2.96 -0.21 0.34 118.68 125.01 2nup s LEU 507 Ca -0.00 -1.20 -0.17 0.00 -0.22 0.00 0.00 54.13 52.54 2nup s LEU 507 Cb -0.16 -1.57 -0.06 0.00 0.50 0.00 0.00 46.19 44.90 2nup s LEU 507 CO -0.07 -0.16 0.47 -0.36 -1.32 0.00 0.00 176.35 174.91 2nup s PHE 508 N 1.18 3.72 -0.21 5.38 0.08 -0.99 -1.69 117.98 125.44 2nup s PHE 508 Ca -0.05 1.06 -0.01 0.00 0.12 0.00 0.00 56.93 58.05 2nup s PHE 508 Cb -0.18 -2.40 0.06 0.00 -0.57 0.00 0.00 43.02 39.93 2nup s PHE 508 CO -0.06 0.55 -0.02 0.08 -0.10 0.00 0.00 175.22 175.67 2nup s VAL 509 N -0.80 1.13 -0.08 -0.44 1.01 0.13 -1.33 120.40 120.01 2nup s VAL 509 Ca 0.26 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.32 2nup s VAL 509 Cb -0.17 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 2nup s VAL 509 CO 0.15 -0.11 -0.04 -0.36 0.00 0.00 0.00 175.10 174.74 2nup s PHE 510 N 1.59 3.02 -0.30 5.22 2.99 0.37 -0.54 117.98 130.33 2nup s PHE 510 Ca -0.03 0.07 -0.20 0.00 0.00 0.00 0.00 56.93 56.76 2nup s PHE 510 Cb -0.18 -1.75 -0.01 0.00 0.00 0.00 0.00 43.02 41.08 2nup s PHE 510 CO -0.07 0.36 0.62 0.34 -0.00 0.00 0.00 175.22 176.47 2nup s ASP 511 N -0.78 6.49 -0.37 1.36 2.15 -0.74 -1.51 116.67 123.27 2nup s ASP 511 Ca 0.12 0.44 0.06 0.00 0.43 0.00 0.00 52.55 53.60 2nup s ASP 511 Cb -0.11 -2.33 0.57 0.00 -0.30 0.00 0.00 42.92 40.76 2nup s ASP 511 CO 0.02 -0.46 1.67 1.33 -0.17 0.00 0.00 175.17 177.56 2nup n VAL 512 N 5.36 2.87 -0.57 1.11 0.24 0.46 -4.74 118.33 123.06 2nup n VAL 512 Ca -0.01 -2.45 -0.29 0.00 -2.04 0.00 0.00 64.34 59.55 2nup n VAL 512 Cb 0.49 -0.43 0.26 0.00 -1.47 0.00 0.00 33.84 32.69 2nup n VAL 512 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2nup s SER 513 N -2.02 0.22 0.09 -1.34 1.04 -1.26 -4.59 113.70 105.83 2nup s SER 513 Ca 0.51 1.13 -0.28 0.00 0.48 0.00 0.00 55.95 57.79 2nup s SER 513 Cb 0.44 -1.70 -0.15 0.00 0.10 0.00 0.00 66.02 64.71 2nup s SER 513 CO 0.04 -4.62 1.67 -0.74 0.98 0.00 0.00 173.24 170.58 2nup h HIS 514 N -2.91 -0.47 -0.25 5.02 -0.00 -0.97 0.21 115.15 115.78 2nup h HIS 514 Ca -0.53 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 59.87 2nup h HIS 514 Cb 1.34 0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 28.88 2nup h HIS 514 CO -1.34 -0.28 0.05 -0.97 -0.00 0.00 0.00 177.93 175.39 2nup h ASN 515 N -0.46 0.01 -0.35 3.26 -0.73 -1.89 -1.11 115.58 114.31 2nup h ASN 515 Ca -0.03 0.04 0.07 0.00 1.87 0.00 0.00 56.30 58.24 2nup h ASN 515 Cb 0.38 0.05 -0.06 0.00 0.27 0.00 0.00 38.32 38.96 2nup h ASN 515 CO 0.04 0.04 -0.04 0.00 -0.37 0.00 0.00 177.43 177.10 2nup h ALA 516 N 1.18 0.28 -0.78 1.57 0.00 -1.79 0.28 119.26 120.00 2nup h ALA 516 Ca 0.11 0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.23 2nup h ALA 516 Cb 0.11 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 2nup h ALA 516 CO -0.15 -0.43 0.51 0.28 0.00 0.00 0.00 179.25 179.46 2nup h VAL 517 N 0.05 0.98 0.00 0.00 2.07 -0.12 -0.88 116.25 118.35 2nup h VAL 517 Ca 0.17 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 2nup h VAL 517 Cb 0.25 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 2nup h VAL 517 CO -0.32 0.14 -0.24 -0.08 0.02 0.00 0.00 177.57 177.09 2nup h GLU 518 N 0.76 0.00 0.00 1.57 4.57 0.29 -2.96 114.58 118.82 2nup h GLU 518 Ca 0.35 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.40 2nup h GLU 518 Cb 0.38 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 2nup h GLU 518 CO -0.13 0.24 -0.61 1.79 -1.18 0.00 0.00 179.01 179.12 2nup h THR 519 N 0.00 1.17 -0.95 0.32 1.35 -0.07 -3.44 112.91 111.29 2nup h THR 519 Ca -0.00 -2.30 -0.25 0.00 -0.55 0.00 0.00 66.41 63.31 2nup h THR 519 Cb 0.72 2.34 -0.07 0.00 -1.73 0.00 0.00 68.15 69.41 2nup h THR 519 CO 0.03 0.59 -0.25 0.61 -0.25 0.00 0.00 175.52 176.25 2nup n GLY 520 N 0.81 0.84 0.19 5.82 0.00 -1.12 -0.80 105.19 110.93 2nup n GLY 520 Ca 0.00 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.42 2nup n GLY 520 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2nup h TYR 521 N 0.00 0.81 -0.99 1.61 -0.00 -1.88 -3.29 116.97 113.24 2nup h TYR 521 Ca -0.26 -0.35 0.35 0.00 0.00 0.00 0.00 58.73 58.47 2nup h TYR 521 Cb 0.93 -0.13 -0.17 0.00 0.00 0.00 0.00 36.73 37.36 2nup h TYR 521 CO 0.33 1.14 0.44 1.25 -0.00 0.00 0.00 178.16 181.32 2nup h LEU 522 N 0.25 0.22 0.49 0.10 6.46 -1.91 -2.04 115.31 118.89 2nup h LEU 522 Ca -0.03 0.24 -0.02 0.00 -0.12 0.00 0.00 57.88 57.94 2nup h LEU 522 Cb 1.19 0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 41.38 2nup h LEU 522 CO 0.12 -0.31 -0.36 0.78 -0.62 0.00 0.00 178.44 178.04 2nup h ASN 523 N 0.12 -0.95 -0.23 1.25 4.21 -1.94 -1.98 115.58 116.06 2nup h ASN 523 Ca 0.75 0.06 -0.00 0.00 1.21 0.00 0.00 56.30 58.32 2nup h ASN 523 Cb 1.82 0.29 -0.01 0.00 -1.12 0.00 0.00 38.32 39.30 2nup h ASN 523 CO -0.73 -0.52 0.14 0.77 -1.29 0.00 0.00 177.43 175.79 2nup h SER 524 N -0.82 0.30 0.09 5.81 4.64 -1.57 -0.65 113.55 121.34 2nup h SER 524 Ca -0.07 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2nup h SER 524 Cb 0.68 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2nup h SER 524 CO 0.03 0.24 -0.04 0.58 -0.87 0.00 0.00 176.83 176.76 2nup h VAL 525 N 0.34 0.99 -1.00 0.95 2.07 -1.37 0.39 116.25 118.62 2nup h VAL 525 Ca 0.09 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 67.37 2nup h VAL 525 Cb 0.01 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 2nup h VAL 525 CO -0.02 0.07 0.65 0.00 0.02 0.00 0.00 177.57 178.30 2nup h GLN 527 N 1.23 -0.44 -0.49 0.00 5.75 -0.57 0.11 115.11 120.71 2nup h GLN 527 Ca 0.41 0.03 0.10 0.00 -0.15 0.00 0.00 58.65 59.04 2nup h GLN 527 Cb 0.07 0.10 -0.08 0.00 1.07 0.00 0.00 27.48 28.63 2nup h GLN 527 CO -0.14 -0.26 -0.02 0.77 -2.65 0.00 0.00 178.83 176.53 2nup h SER 528 N -0.50 -0.24 -0.41 -0.69 0.02 0.39 0.62 113.55 112.73 2nup h SER 528 Ca -0.05 0.12 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2nup h SER 528 Cb 0.38 0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 2nup h SER 528 CO 0.08 -0.08 0.23 -0.07 -1.14 0.00 0.00 176.83 175.84 2nup h LEU 529 N 0.10 0.37 -0.17 5.07 3.38 -0.76 -0.41 115.31 122.89 2nup h LEU 529 Ca 0.25 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.25 2nup h LEU 529 Cb 0.37 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2nup h LEU 529 CO -0.42 0.26 0.01 -0.07 0.09 0.00 0.00 178.44 178.31 2nup h LEU 530 N 0.47 -0.04 -2.03 1.67 3.38 0.17 0.19 115.31 119.12 2nup h LEU 530 Ca 0.17 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2nup h LEU 530 Cb 0.03 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2nup h LEU 530 CO -0.09 0.00 -0.05 0.44 0.09 0.00 0.00 178.44 178.84 2nup h ASP 531 N 0.07 0.00 -0.20 -0.43 3.32 -0.43 -3.01 116.42 115.74 2nup h ASP 531 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2nup h ASP 531 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2nup h ASP 531 CO -0.12 0.05 0.00 0.59 -1.72 0.00 0.00 179.24 178.04 2nup n ASN 532 N -4.26 2.88 -0.10 6.45 3.02 -0.21 -4.73 115.26 118.31 2nup n ASN 532 Ca -0.03 -2.40 -0.06 0.00 -0.03 0.00 0.00 54.58 52.06 2nup n ASN 532 Cb 0.13 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.02 2nup n ASN 532 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2nup h LEU 533 N 1.24 -0.69 -1.58 3.41 5.85 -0.51 0.02 115.31 123.06 2nup h LEU 533 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2nup h LEU 533 Cb 0.90 0.36 0.00 0.00 0.37 0.00 0.00 40.66 42.29 2nup h LEU 533 CO 0.06 -0.24 0.00 0.44 -0.34 0.00 0.00 178.44 178.36 2nup h ASP 534 N -0.15 0.00 -0.34 1.25 3.32 -1.84 -3.02 116.42 115.64 2nup h ASP 534 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2nup h ASP 534 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2nup h ASP 534 CO -0.46 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.24 2nup n LEU 535 N -2.86 2.69 -4.72 1.55 4.77 -0.03 -4.92 117.00 113.48 2nup n LEU 535 Ca 0.00 -1.19 -0.42 0.00 -0.03 0.00 0.00 56.01 54.37 2nup n LEU 535 Cb 0.23 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 2nup n LEU 535 CO 0.23 0.60 0.95 -0.76 -1.33 0.00 0.00 177.39 177.08 2nup s LEU 536 N -1.40 4.40 0.14 2.23 1.43 -1.07 -4.58 118.68 119.81 2nup s LEU 536 Ca 0.36 2.23 -0.35 0.00 -1.03 0.00 0.00 54.13 55.33 2nup s LEU 536 Cb 0.20 -3.59 -0.15 0.00 0.03 0.00 0.00 46.19 42.68 2nup s LEU 536 CO 0.28 -0.51 1.50 -2.65 0.23 0.00 0.00 176.35 175.20 2nup n PRO 537 N 3.38 1.83 0.00 1.29 -0.02 -1.26 -4.86 135.00 135.35 2nup n PRO 537 Ca 0.08 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2nup n PRO 537 Cb 0.44 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2nup n PRO 537 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nup n GLY 538 N 3.13 4.30 0.00 -1.23 0.00 -1.26 -4.91 105.19 105.22 2nup n GLY 538 Ca 0.17 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2nup n GLY 538 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2nup n ASN 539 N 0.00 0.00 0.00 1.61 0.23 -1.18 -4.92 115.26 111.00 2nup n ASN 539 Ca 0.00 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.13 2nup n ASN 539 Cb 0.00 0.00 0.41 0.00 -2.08 0.00 0.00 39.78 38.11 2nup n ASN 539 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2nup n THR 540 N 0.00 0.37 1.19 5.53 -2.24 -1.26 -2.40 114.28 115.47 2nup n THR 540 Ca 0.00 0.09 0.13 0.00 -2.27 0.00 0.00 64.05 62.00 2nup n THR 540 Cb 0.00 -0.84 0.39 0.00 -2.10 0.00 0.00 70.33 67.78 2nup n THR 540 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2nup n ARG 541 N -1.19 0.55 -1.68 -0.78 1.74 -1.26 -4.76 116.66 109.29 2nup n ARG 541 Ca 0.09 -0.29 -0.45 0.00 -0.77 0.00 0.00 57.85 56.43 2nup n ARG 541 Cb 0.10 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 2nup n ARG 541 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2nup n THR 542 N -0.97 0.75 -4.91 0.55 -1.04 -1.01 -4.42 114.28 103.22 2nup n THR 542 Ca 0.11 -0.19 -0.29 0.00 -2.04 0.00 0.00 64.05 61.64 2nup n THR 542 Cb 0.33 -1.54 -0.15 0.00 -1.82 0.00 0.00 70.33 67.15 2nup n THR 542 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2nup s LYS 543 N -0.12 1.74 0.07 -2.82 1.02 0.49 -1.38 119.74 118.73 2nup s LYS 543 Ca 0.70 -1.01 0.05 0.00 0.02 0.00 0.00 55.97 55.72 2nup s LYS 543 Cb -0.64 -1.85 -0.03 0.00 -0.52 0.00 0.00 37.83 34.80 2nup s LYS 543 CO 0.47 0.48 -0.13 -1.50 -0.92 0.00 0.00 175.35 173.75 2nup s ILE 544 N -0.75 1.05 0.27 2.17 1.10 0.95 -1.00 121.20 124.99 2nup s ILE 544 Ca 0.10 -1.25 -0.02 0.00 -0.51 0.00 0.00 60.65 58.97 2nup s ILE 544 Cb -0.10 -1.01 -0.02 0.00 0.15 0.00 0.00 42.46 41.48 2nup s ILE 544 CO 0.01 -0.22 0.31 -0.83 -2.11 0.00 0.00 174.94 172.10 2nup s GLY 545 N -1.67 1.44 -0.18 1.50 0.00 0.15 -1.29 107.32 107.28 2nup s GLY 545 Ca -0.03 -1.56 -0.21 0.00 0.00 0.00 0.00 44.72 42.92 2nup s GLY 545 CO 0.02 -1.17 0.56 -1.36 0.00 0.00 0.00 173.10 171.15 2nup s PHE 546 N -3.75 -0.59 -0.17 1.90 0.08 -1.26 -2.35 117.98 111.85 2nup s PHE 546 Ca 0.34 1.37 -0.08 0.00 0.12 0.00 0.00 56.93 58.68 2nup s PHE 546 Cb 0.03 0.23 0.07 0.00 -0.57 0.00 0.00 43.02 42.77 2nup s PHE 546 CO 0.16 -0.35 0.38 0.42 -0.10 0.00 0.00 175.22 175.74 2nup s ILE 547 N -0.02 -0.26 0.39 0.64 1.01 -0.45 -3.73 121.20 118.79 2nup s ILE 547 Ca -0.03 0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.84 2nup s ILE 547 Cb -0.04 -0.59 -0.03 0.00 0.01 0.00 0.00 42.46 41.81 2nup s ILE 547 CO 0.02 0.06 0.29 0.42 0.00 0.00 0.00 174.94 175.73 2nup s THR 548 N 1.86 2.82 -0.13 2.92 -4.23 -0.58 -0.48 115.64 117.83 2nup s THR 548 Ca -0.06 -1.46 -0.31 0.00 -1.18 0.00 0.00 61.69 58.68 2nup s THR 548 Cb -0.10 -3.03 0.13 0.00 1.34 0.00 0.00 72.50 70.84 2nup s THR 548 CO -0.12 -0.06 1.06 0.72 -0.54 0.00 0.00 174.62 175.68 2nup s PHE 549 N -2.46 -0.26 0.00 3.99 -0.12 -0.57 -0.32 117.98 118.26 2nup s PHE 549 Ca 0.44 0.26 0.00 0.00 -0.05 0.00 0.00 56.93 57.58 2nup s PHE 549 Cb -0.02 0.50 0.00 0.00 -0.63 0.00 0.00 43.02 42.87 2nup s PHE 549 CO 0.26 -0.34 0.00 -0.40 -0.05 0.00 0.00 175.22 174.69 2nup n ASP 550 N 0.11 0.00 -0.00 1.98 5.68 -1.26 -0.41 116.55 122.65 2nup n ASP 550 Ca -0.05 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.35 2nup n ASP 550 Cb 0.59 0.00 0.13 0.00 -1.14 0.00 0.00 41.12 40.70 2nup n ASP 550 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2nup n SER 551 N 0.00 0.68 -4.14 -1.12 3.41 -1.24 0.77 113.62 111.98 2nup n SER 551 Ca 0.00 -0.51 -0.10 0.00 -0.26 0.00 0.00 58.87 58.00 2nup n SER 551 Cb 0.00 0.50 -0.10 0.00 -0.26 0.00 0.00 64.21 64.35 2nup n SER 551 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2nup s THR 552 N -3.00 0.59 -0.14 6.66 -4.23 -1.26 -4.75 115.64 109.52 2nup s THR 552 Ca 0.10 -1.78 -0.21 0.00 -1.18 0.00 0.00 61.69 58.63 2nup s THR 552 Cb 0.17 -1.48 -0.03 0.00 1.34 0.00 0.00 72.50 72.49 2nup s THR 552 CO 0.76 -0.82 0.60 -0.63 -0.54 0.00 0.00 174.62 173.99 2nup s ILE 553 N -3.32 5.08 -0.45 2.99 1.09 -0.90 -4.38 121.20 121.32 2nup s ILE 553 Ca 0.08 1.18 -0.05 0.00 -1.10 0.00 0.00 60.65 60.76 2nup s ILE 553 Cb 0.03 -3.93 0.12 0.00 -1.06 0.00 0.00 42.46 37.62 2nup s ILE 553 CO -0.05 0.22 0.27 -1.00 -0.10 0.00 0.00 174.94 174.28 2nup s HIS 554 N 1.20 3.53 0.70 3.97 3.76 0.57 -1.38 115.29 127.64 2nup s HIS 554 Ca 0.30 -2.28 -0.11 0.00 -0.15 0.00 0.00 55.06 52.82 2nup s HIS 554 Cb -0.16 -3.31 0.02 0.00 1.11 0.00 0.00 32.58 30.23 2nup s HIS 554 CO 0.12 -0.97 1.07 -0.06 -0.85 0.00 0.00 174.74 174.06 2nup s PHE 555 N 1.09 3.28 -0.11 1.40 0.08 -0.15 -1.52 117.98 122.05 2nup s PHE 555 Ca 0.08 0.96 -0.03 0.00 0.12 0.00 0.00 56.93 58.06 2nup s PHE 555 Cb -0.23 -3.06 0.04 0.00 -0.57 0.00 0.00 43.02 39.20 2nup s PHE 555 CO -0.03 -1.18 0.06 0.71 -0.10 0.00 0.00 175.22 174.68 2nup s TYR 556 N -3.32 0.29 0.22 0.36 2.02 -1.24 -0.30 117.35 115.38 2nup s TYR 556 Ca 0.58 -0.13 -0.11 0.00 -0.37 0.00 0.00 57.07 57.03 2nup s TYR 556 Cb -0.11 -0.66 -0.07 0.00 -0.40 0.00 0.00 41.96 40.72 2nup s TYR 556 CO 0.50 -0.38 0.57 0.20 -1.57 0.00 0.00 175.55 174.88 2nup s GLY 557 N 2.10 2.33 -0.29 0.71 0.00 0.72 -4.51 107.32 108.37 2nup s GLY 557 Ca 0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 44.72 44.51 2nup s GLY 557 CO -0.06 -0.03 0.19 1.08 0.00 0.00 0.00 173.10 174.27 2nup s LEU 558 N -2.63 0.27 0.01 0.66 1.43 -0.85 -1.86 118.68 115.70 2nup s LEU 558 Ca 0.46 -1.10 0.08 0.00 -1.03 0.00 0.00 54.13 52.54 2nup s LEU 558 Cb -0.12 -0.05 -0.02 0.00 0.03 0.00 0.00 46.19 46.02 2nup s LEU 558 CO 0.20 -0.42 -0.26 -1.10 0.23 0.00 0.00 176.35 175.00 2nup s GLN 559 N 2.19 1.94 0.34 1.70 -0.21 -1.26 -4.89 119.66 119.47 2nup s GLN 559 Ca 0.09 -1.00 0.27 0.00 0.02 0.00 0.00 55.36 54.73 2nup s GLN 559 Cb -0.15 -1.98 1.02 0.00 1.00 0.00 0.00 33.01 32.90 2nup s GLN 559 CO -0.36 0.53 1.79 1.49 -2.12 0.00 0.00 175.29 176.62 2nup h GLU 560 N 5.17 0.00 0.00 2.91 4.81 -2.00 -2.95 114.58 122.53 2nup h GLU 560 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2nup h GLU 560 Cb 1.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2nup h GLU 560 CO 0.45 0.00 -0.04 0.66 -0.73 0.00 0.00 179.01 179.35 2nup h SER 561 N 0.00 0.00 -2.76 1.04 4.64 -2.01 -3.46 113.55 111.00 2nup h SER 561 Ca 0.00 -0.01 -0.58 0.00 -0.47 0.00 0.00 61.79 60.72 2nup h SER 561 Cb 0.50 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.55 2nup h SER 561 CO 0.00 0.01 -0.48 -0.76 -0.87 0.00 0.00 176.83 174.73 2nup s LEU 562 N -4.66 4.35 0.53 5.97 1.43 -1.12 -5.00 118.68 120.17 2nup s LEU 562 Ca 0.10 0.24 0.34 0.00 -1.03 0.00 0.00 54.13 53.78 2nup s LEU 562 Cb 0.12 -2.95 1.57 0.00 0.03 0.00 0.00 46.19 44.96 2nup s LEU 562 CO 0.61 0.11 2.03 0.28 0.23 0.00 0.00 176.35 179.61 2nup h SER 563 N 2.63 0.00 -4.46 2.29 0.02 -1.89 -3.46 113.55 108.69 2nup h SER 563 Ca -0.47 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 60.64 2nup h SER 563 Cb 1.18 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.54 2nup h SER 563 CO 0.72 0.00 0.60 0.00 -1.14 0.00 0.00 176.83 177.01 2nup s GLN 564 N -3.73 0.64 1.03 3.45 -2.07 -1.26 -5.16 119.66 112.55 2nup s GLN 564 Ca -0.00 -0.20 -0.15 0.00 -1.82 0.00 0.00 55.36 53.19 2nup s GLN 564 Cb 0.10 0.29 0.07 0.00 -1.09 0.00 0.00 33.01 32.39 2nup s GLN 564 CO 0.47 -0.27 0.26 -0.35 -1.32 0.00 0.00 175.29 174.07 2nup n PRO 565 N -0.10 -0.92 -3.94 9.60 -0.04 -1.26 -4.92 135.00 133.42 2nup n PRO 565 Ca -0.06 -0.24 -0.28 0.00 -0.04 0.00 0.00 63.50 62.88 2nup n PRO 565 Cb 0.60 -1.80 -0.17 0.00 -0.04 0.00 0.00 33.50 32.09 2nup n PRO 565 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2nup s GLN 566 N -3.59 1.73 -0.65 0.54 -2.07 -0.78 -4.94 119.66 109.90 2nup s GLN 566 Ca 0.57 -0.35 -0.25 0.00 -1.82 0.00 0.00 55.36 53.50 2nup s GLN 566 Cb -0.17 -1.75 0.04 0.00 -1.09 0.00 0.00 33.01 30.04 2nup s GLN 566 CO 0.67 -0.27 1.11 1.41 -1.32 0.00 0.00 175.29 176.89 2nup s MET 567 N 1.64 3.25 -0.51 9.60 1.75 -1.26 -0.20 119.30 133.58 2nup s MET 567 Ca 0.05 -0.32 -0.18 0.00 -1.25 0.00 0.00 55.69 53.99 2nup s MET 567 Cb -0.13 -4.14 0.07 0.00 2.84 0.00 0.00 34.83 33.48 2nup s MET 567 CO -0.09 -1.85 0.55 -0.51 -0.65 0.00 0.00 175.02 172.47 2nup s LEU 568 N 4.80 5.34 -0.13 4.11 1.43 0.59 -4.88 118.68 129.95 2nup s LEU 568 Ca 0.32 -1.19 -0.22 0.00 -1.03 0.00 0.00 54.13 52.00 2nup s LEU 568 Cb -0.11 -2.32 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 2nup s LEU 568 CO 0.16 -0.84 0.67 -0.63 0.23 0.00 0.00 176.35 175.95 2nup s ILE 569 N 2.23 5.03 -0.28 -0.59 1.01 -1.26 -0.98 121.20 126.36 2nup s ILE 569 Ca 0.10 1.34 -0.04 0.00 0.00 0.00 0.00 60.65 62.04 2nup s ILE 569 Cb -0.22 -4.00 0.02 0.00 0.01 0.00 0.00 42.46 38.27 2nup s ILE 569 CO 0.09 0.18 0.02 0.54 0.00 0.00 0.00 174.94 175.76 2nup s VAL 570 N 1.36 3.41 -0.97 2.92 0.11 -0.48 -4.95 120.40 121.80 2nup s VAL 570 Ca 0.33 -0.93 0.23 0.00 -2.93 0.00 0.00 61.98 58.69 2nup s VAL 570 Cb -0.17 -2.78 -0.13 0.00 -1.53 0.00 0.00 36.38 31.78 2nup s VAL 570 CO 0.14 0.09 1.12 -1.54 -3.33 0.00 0.00 175.10 171.58 2nup n SER 571 N 4.76 0.76 -4.53 3.54 3.41 -1.26 -2.12 113.62 118.18 2nup n SER 571 Ca -0.15 -0.64 -0.40 0.00 -0.26 0.00 0.00 58.87 57.43 2nup n SER 571 Cb 0.47 0.69 -0.01 0.00 -0.26 0.00 0.00 64.21 65.09 2nup n SER 571 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2nup n ASP 572 N -1.53 4.44 -0.23 4.04 -0.08 -1.26 -4.77 116.55 117.16 2nup n ASP 572 Ca 0.04 -2.86 0.15 0.00 -1.51 0.00 0.00 54.79 50.62 2nup n ASP 572 Cb 0.34 -1.74 0.46 0.00 2.34 0.00 0.00 41.12 42.53 2nup n ASP 572 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2nup h ILE 573 N 5.62 0.77 -0.06 5.18 1.08 -1.90 -1.57 117.51 126.63 2nup h ILE 573 Ca 0.40 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.70 2nup h ILE 573 Cb 0.87 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 2nup h ILE 573 CO 1.43 0.09 0.00 -0.62 -0.69 0.00 0.00 178.15 178.36 2nup n GLU 574 N -4.52 1.44 -2.76 2.37 4.71 -1.26 -4.45 120.64 116.16 2nup n GLU 574 Ca 0.17 -0.65 -0.07 0.00 -0.01 0.00 0.00 57.16 56.61 2nup n GLU 574 Cb 0.57 -1.42 0.03 0.00 -1.01 0.00 0.00 31.44 29.61 2nup n GLU 574 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2nup n ASP 575 N -0.18 -3.10 -4.77 1.62 2.03 -0.59 -5.14 116.55 106.41 2nup n ASP 575 Ca 0.18 -3.13 -0.30 0.00 0.52 0.00 0.00 54.79 52.05 2nup n ASP 575 Cb 0.25 1.77 0.10 0.00 -0.72 0.00 0.00 41.12 42.51 2nup n ASP 575 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2nup s VAL 576 N 0.75 3.17 0.06 5.18 1.01 -1.20 -4.82 120.40 124.55 2nup s VAL 576 Ca 0.31 0.38 -0.27 0.00 0.00 0.00 0.00 61.98 62.40 2nup s VAL 576 Cb 0.13 -2.99 0.09 0.00 0.00 0.00 0.00 36.38 33.61 2nup s VAL 576 CO -0.16 -0.50 0.95 0.72 0.00 0.00 0.00 175.10 176.10 2nup s PHE 577 N -3.01 -0.23 -0.17 5.22 -0.12 -1.26 -5.05 117.98 113.35 2nup s PHE 577 Ca 0.61 0.02 -0.21 0.00 -0.05 0.00 0.00 56.93 57.30 2nup s PHE 577 Cb -0.16 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 42.79 2nup s PHE 577 CO 0.56 -0.65 0.65 0.42 -0.05 0.00 0.00 175.22 176.14 2nup s ILE 578 N -3.15 5.02 -0.47 -4.49 1.01 -1.26 -4.96 121.20 112.90 2nup s ILE 578 Ca 0.09 1.24 0.24 0.00 0.00 0.00 0.00 60.65 62.22 2nup s ILE 578 Cb -0.01 -3.97 0.25 0.00 0.01 0.00 0.00 42.46 38.75 2nup s ILE 578 CO -0.04 0.13 1.72 -0.81 0.00 0.00 0.00 174.94 175.95 2nup n PRO 579 N 4.82 0.21 -3.66 2.79 -0.04 -1.26 -4.85 135.00 133.01 2nup n PRO 579 Ca -0.01 0.42 -0.12 0.00 -0.04 0.00 0.00 63.50 63.75 2nup n PRO 579 Cb 0.50 -1.88 -0.06 0.00 -0.04 0.00 0.00 33.50 32.02 2nup n PRO 579 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 2nup s MET 580 N -3.32 0.97 -0.00 0.54 1.75 -1.26 -5.08 119.30 112.90 2nup s MET 580 Ca 0.04 -0.49 0.19 0.00 -1.25 0.00 0.00 55.69 54.19 2nup s MET 580 Cb 0.09 0.43 -0.21 0.00 2.84 0.00 0.00 34.83 37.98 2nup s MET 580 CO 0.41 -0.35 0.81 -0.35 -0.65 0.00 0.00 175.02 174.89 2nup n PRO 581 N 0.26 0.65 0.00 4.11 -0.04 -1.26 -4.85 135.00 133.87 2nup n PRO 581 Ca -0.18 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2nup n PRO 581 Cb 0.61 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 2nup n PRO 581 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2nup n GLU 582 N -1.46 0.89 -0.72 0.54 2.13 -1.26 -4.91 120.64 115.86 2nup n GLU 582 Ca 0.04 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.84 2nup n GLU 582 Cb 0.30 -0.97 0.22 0.00 0.27 0.00 0.00 31.44 31.26 2nup n GLU 582 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2nup n ASN 583 N -2.32 3.05 -0.02 4.31 3.02 -1.26 -4.56 115.26 117.48 2nup n ASN 583 Ca 0.00 -3.51 -0.20 0.00 -0.03 0.00 0.00 54.58 50.84 2nup n ASN 583 Cb 0.47 -0.62 -0.13 0.00 -0.61 0.00 0.00 39.78 38.89 2nup n ASN 583 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2nup h LEU 584 N 1.27 0.28 -8.33 3.41 3.38 -1.89 -2.27 115.31 111.16 2nup h LEU 584 Ca 0.18 -0.83 -0.71 0.00 0.09 0.00 0.00 57.88 56.61 2nup h LEU 584 Cb 1.68 -0.09 -0.25 0.00 0.09 0.00 0.00 40.66 42.09 2nup h LEU 584 CO 0.39 1.48 -0.51 -0.76 0.09 0.00 0.00 178.44 179.13 2nup s LEU 585 N -7.73 4.77 0.24 1.67 1.43 -1.26 -4.43 118.68 113.37 2nup s LEU 585 Ca -0.20 -1.07 0.08 0.00 -1.03 0.00 0.00 54.13 51.91 2nup s LEU 585 Cb 0.03 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 2nup s LEU 585 CO 0.74 -0.41 0.10 0.68 0.23 0.00 0.00 176.35 177.69 2nup s VAL 586 N 1.53 4.02 -0.21 -1.59 -7.23 -0.41 -4.85 120.40 111.67 2nup s VAL 586 Ca 0.02 -1.55 -0.29 0.00 -1.81 0.00 0.00 61.98 58.34 2nup s VAL 586 Cb -0.20 -3.14 -0.02 0.00 0.56 0.00 0.00 36.38 33.59 2nup s VAL 586 CO 0.06 -0.31 1.39 0.21 -0.31 0.00 0.00 175.10 176.14 2nup s ASN 587 N -3.62 6.71 0.16 4.85 3.84 -1.26 -0.03 114.94 125.59 2nup s ASN 587 Ca 0.32 1.59 -0.16 0.00 0.21 0.00 0.00 52.86 54.81 2nup s ASN 587 Cb -0.08 -2.54 0.03 0.00 -0.55 0.00 0.00 41.25 38.12 2nup s ASN 587 CO 0.22 -0.98 1.80 0.25 -2.79 0.00 0.00 177.10 175.61 2nup h LEU 588 N 10.54 0.40 0.35 3.21 5.85 -1.56 -0.52 115.31 133.58 2nup h LEU 588 Ca -0.29 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 2nup h LEU 588 Cb 1.12 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 2nup h LEU 588 CO 0.99 0.29 -0.35 -1.13 -0.34 0.00 0.00 178.44 177.91 2nup h ASN 589 N 0.50 -0.95 -0.92 1.25 -0.00 -1.86 0.22 115.58 113.81 2nup h ASN 589 Ca 0.16 0.08 0.03 0.00 -0.00 0.00 0.00 56.30 56.57 2nup h ASN 589 Cb -0.01 0.31 -0.05 0.00 -0.00 0.00 0.00 38.32 38.57 2nup h ASN 589 CO -0.06 -0.46 0.61 -0.33 -0.00 0.00 0.00 177.43 177.18 2nup h GLU 590 N -0.70 1.13 -0.56 6.67 5.08 -1.91 -3.12 114.58 121.18 2nup h GLU 590 Ca -0.04 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 2nup h GLU 590 Cb 0.60 -0.25 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 2nup h GLU 590 CO -0.04 0.75 0.08 0.43 -1.00 0.00 0.00 179.01 179.23 2nup n SER 591 N -4.44 4.97 -0.38 1.42 7.64 -0.21 -4.74 113.62 117.88 2nup n SER 591 Ca 0.12 -3.08 -0.11 0.00 1.01 0.00 0.00 58.87 56.81 2nup n SER 591 Cb 0.10 -0.68 -0.10 0.00 -1.01 0.00 0.00 64.21 62.53 2nup n SER 591 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2nup h LYS 592 N 3.02 -0.05 -0.45 1.43 1.63 -0.50 -1.44 116.57 120.21 2nup h LYS 592 Ca 0.09 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 59.98 2nup h LYS 592 Cb 1.98 0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 33.55 2nup h LYS 592 CO 0.52 -0.03 -0.03 0.93 -3.45 0.00 0.00 179.45 177.38 2nup h GLU 593 N -0.05 0.08 -0.33 1.90 4.39 -1.86 -1.77 114.58 116.92 2nup h GLU 593 Ca 0.15 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.88 2nup h GLU 593 Cb 0.44 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.04 2nup h GLU 593 CO -0.90 0.05 0.14 -0.07 -1.16 0.00 0.00 179.01 177.08 2nup h LEU 594 N 0.08 0.19 -0.78 1.33 3.38 -1.64 -2.68 115.31 115.19 2nup h LEU 594 Ca 0.22 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.09 2nup h LEU 594 Cb 0.33 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2nup h LEU 594 CO -0.39 0.15 -0.59 -0.37 0.09 0.00 0.00 178.44 177.32 2nup h VAL 595 N 0.30 1.37 -0.78 1.22 -1.51 -1.21 -3.09 116.25 112.55 2nup h VAL 595 Ca 0.14 -2.04 -0.01 0.00 -1.23 0.00 0.00 66.70 63.56 2nup h VAL 595 Cb 0.09 2.12 -0.04 0.00 -2.13 0.00 0.00 31.29 31.33 2nup h VAL 595 CO -0.12 0.57 0.43 1.56 -1.23 0.00 0.00 177.57 178.78 2nup h GLN 596 N 0.00 1.08 -0.40 5.19 4.20 -1.00 -0.70 115.11 123.48 2nup h GLN 596 Ca -0.01 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.48 2nup h GLN 596 Cb 1.07 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 2nup h GLN 596 CO 0.08 0.79 -0.18 -0.44 -0.67 0.00 0.00 178.83 178.41 2nup h ASP 597 N 1.09 0.85 -0.35 1.46 3.32 -1.43 -2.37 116.42 118.98 2nup h ASP 597 Ca 0.28 -0.40 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 2nup h ASP 597 Cb 0.02 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 2nup h ASP 597 CO -0.04 1.06 0.13 0.25 -1.72 0.00 0.00 179.24 178.92 2nup h LEU 598 N 0.64 0.55 -0.95 1.55 5.85 -1.37 0.47 115.31 122.04 2nup h LEU 598 Ca 0.09 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 2nup h LEU 598 Cb 0.73 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2nup h LEU 598 CO 0.06 0.53 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.28 2nup h LEU 599 N 0.60 0.00 0.00 2.25 3.38 -0.95 0.14 115.31 120.72 2nup h LEU 599 Ca 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2nup h LEU 599 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2nup h LEU 599 CO -0.01 0.33 -0.78 0.11 0.09 0.00 0.00 178.44 178.18 2nup h LYS 600 N 0.00 0.00 0.07 1.13 1.57 -0.52 -3.38 116.57 115.44 2nup h LYS 600 Ca -0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 2nup h LYS 600 Cb 0.87 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 2nup h LYS 600 CO 0.04 0.08 -1.99 2.41 -0.57 0.00 0.00 179.45 179.42 2nup n THR 601 N -2.85 1.68 -0.12 -0.16 -1.04 0.15 -4.57 114.28 107.36 2nup n THR 601 Ca -0.00 -0.70 -0.07 0.00 -2.04 0.00 0.00 64.05 61.23 2nup n THR 601 Cb 0.60 -1.41 -0.01 0.00 -1.82 0.00 0.00 70.33 67.69 2nup n THR 601 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2nup h LEU 602 N 0.04 -1.03 -1.99 -4.42 3.38 -0.90 -1.69 115.31 108.70 2nup h LEU 602 Ca -0.41 0.19 0.16 0.00 0.09 0.00 0.00 57.88 57.91 2nup h LEU 602 Cb 2.03 0.49 -0.02 0.00 0.09 0.00 0.00 40.66 43.24 2nup h LEU 602 CO 0.06 -0.31 0.47 -0.65 0.09 0.00 0.00 178.44 178.10 2nup h PRO 603 N -0.24 0.00 0.00 1.13 0.11 -1.80 -1.00 132.00 130.20 2nup h PRO 603 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2nup h PRO 603 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 2nup h PRO 603 CO -0.53 0.00 -0.45 1.04 -0.21 0.00 0.00 178.00 177.85 2nup n GLN 604 N -4.03 0.01 0.00 1.05 6.02 -0.65 -4.23 117.38 115.55 2nup n GLN 604 Ca 0.10 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.24 2nup n GLN 604 Cb 0.69 -1.51 0.76 0.00 1.02 0.00 0.00 30.24 31.20 2nup n GLN 604 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2nup n MET 605 N -1.53 0.53 -0.03 -1.09 2.81 -0.38 -4.10 117.12 113.33 2nup n MET 605 Ca 0.06 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 2nup n MET 605 Cb 0.34 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 2nup n MET 605 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2nup n PHE 606 N -1.22 0.00 -0.39 2.03 3.72 -1.26 -4.89 117.46 115.46 2nup n PHE 606 Ca 0.16 -0.09 0.34 0.00 -0.05 0.00 0.00 57.45 57.80 2nup n PHE 606 Cb 0.20 -0.01 0.66 0.00 -0.94 0.00 0.00 39.48 39.39 2nup n PHE 606 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 2nup h THR 607 N 2.77 0.34 -0.83 4.37 2.02 -1.78 -1.80 112.91 118.00 2nup h THR 607 Ca 0.00 -0.05 -0.57 0.00 0.77 0.00 0.00 66.41 66.56 2nup h THR 607 Cb 0.95 0.19 -0.33 0.00 -1.74 0.00 0.00 68.15 67.21 2nup h THR 607 CO 0.00 0.03 0.03 0.29 0.37 0.00 0.00 175.52 176.24 2nup n LYS 608 N -4.40 3.00 -2.82 6.66 5.02 -1.26 -5.04 118.16 119.32 2nup n LYS 608 Ca 0.30 -3.66 -0.34 0.00 -2.02 0.00 0.00 58.31 52.59 2nup n LYS 608 Cb 1.25 -2.24 -0.07 0.00 -0.02 0.00 0.00 35.03 33.96 2nup n LYS 608 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2nup s THR 609 N -4.53 4.35 -0.16 -0.18 2.01 -0.68 -4.97 115.64 111.49 2nup s THR 609 Ca 0.57 1.56 0.02 0.00 0.31 0.00 0.00 61.69 64.14 2nup s THR 609 Cb 0.46 -3.71 0.04 0.00 0.01 0.00 0.00 72.50 69.30 2nup s THR 609 CO 0.02 -0.19 0.92 0.18 -0.69 0.00 0.00 174.62 174.85 2nup n LEU 610 N -0.31 1.90 -4.56 4.42 4.77 -1.26 -4.71 117.00 117.25 2nup n LEU 610 Ca 0.06 -1.76 -0.28 0.00 -0.03 0.00 0.00 56.01 54.00 2nup n LEU 610 Cb 0.53 -0.03 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 2nup n LEU 610 CO 0.39 0.47 1.39 -1.61 -1.33 0.00 0.00 177.39 176.70 2nup s GLU 611 N -0.79 2.52 0.29 3.23 0.41 -1.26 -4.79 118.70 118.32 2nup s GLU 611 Ca 0.03 -0.09 0.15 0.00 -0.41 0.00 0.00 54.97 54.66 2nup s GLU 611 Cb 0.02 -4.93 0.23 0.00 -1.78 0.00 0.00 34.13 27.66 2nup s GLU 611 CO 0.02 -3.31 1.52 0.00 -0.49 0.00 0.00 175.26 173.00 2nup h THR 612 N 7.22 0.96 -2.02 3.63 1.03 -1.95 0.15 112.91 121.93 2nup h THR 612 Ca 0.03 -2.13 -0.45 0.00 -0.01 0.00 0.00 66.41 63.85 2nup h THR 612 Cb 1.03 2.32 -0.00 0.00 -1.07 0.00 0.00 68.15 70.43 2nup h THR 612 CO 1.20 0.51 -0.37 -1.10 -0.01 0.00 0.00 175.52 175.75 2nup s GLN 613 N -3.13 3.27 -0.05 0.00 -0.21 -1.26 -4.80 119.66 113.47 2nup s GLN 613 Ca 0.02 -0.87 -0.01 0.00 0.02 0.00 0.00 55.36 54.52 2nup s GLN 613 Cb 0.09 -2.84 0.03 0.00 1.00 0.00 0.00 33.01 31.29 2nup s GLN 613 CO 0.73 0.21 0.02 0.45 -2.12 0.00 0.00 175.29 174.59 2nup s SER 614 N -4.09 1.27 -0.84 5.90 0.15 -1.25 -3.71 113.70 111.13 2nup s SER 614 Ca 0.40 -0.02 -0.03 0.00 0.70 0.00 0.00 55.95 57.00 2nup s SER 614 Cb -0.09 -0.31 0.25 0.00 -1.71 0.00 0.00 66.02 64.16 2nup s SER 614 CO 0.30 -0.20 2.20 0.00 1.20 0.00 0.00 173.24 176.75 2nup n ALA 615 N 5.04 6.45 -0.35 5.45 0.00 0.23 -2.36 120.51 134.97 2nup n ALA 615 Ca -0.09 -3.96 0.26 0.00 0.00 0.00 0.00 53.44 49.65 2nup n ALA 615 Cb 0.50 -2.15 0.54 0.00 0.00 0.00 0.00 19.45 18.34 2nup n ALA 615 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2nup h LEU 616 N 3.72 0.41 0.35 0.00 5.85 -1.82 -1.85 115.31 121.97 2nup h LEU 616 Ca 0.54 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 59.35 2nup h LEU 616 Cb 0.27 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 2nup h LEU 616 CO 1.26 0.01 -0.32 1.23 -0.34 0.00 0.00 178.44 180.28 2nup h GLY 617 N 0.32 -1.04 0.84 3.75 0.00 -1.81 0.20 103.07 105.33 2nup h GLY 617 Ca 0.65 0.47 0.05 0.00 0.00 0.00 0.00 47.33 48.50 2nup h GLY 617 CO -0.34 -0.33 0.64 -2.55 0.00 0.00 0.00 176.54 173.95 2nup h PRO 618 N -0.66 1.16 -0.26 4.80 0.11 -1.53 -2.27 132.00 133.35 2nup h PRO 618 Ca -0.05 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 66.03 2nup h PRO 618 Cb 0.56 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 31.38 2nup h PRO 618 CO -0.02 0.77 0.05 0.00 -0.21 0.00 0.00 178.00 178.58 2nup h ALA 619 N 1.45 0.26 0.00 -0.75 0.00 -1.15 -0.54 119.26 118.53 2nup h ALA 619 Ca 0.41 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 2nup h ALA 619 Cb 0.09 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2nup h ALA 619 CO -0.14 -0.37 -0.17 -0.07 0.00 0.00 0.00 179.25 178.50 2nup h LEU 620 N 0.14 0.00 -0.63 0.00 3.38 -0.48 0.18 115.31 117.90 2nup h LEU 620 Ca 0.12 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 2nup h LEU 620 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2nup h LEU 620 CO -0.16 0.17 -0.51 1.56 0.09 0.00 0.00 178.44 179.58 2nup h GLN 621 N 0.00 0.45 -0.07 1.13 4.20 -0.68 -0.23 115.11 119.91 2nup h GLN 621 Ca -0.00 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.38 2nup h GLN 621 Cb 0.30 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2nup h GLN 621 CO 0.02 0.86 -0.20 0.00 -0.67 0.00 0.00 178.83 178.84 2nup h ALA 622 N 1.10 0.12 -0.90 3.87 0.00 -0.28 -1.16 119.26 122.00 2nup h ALA 622 Ca 0.01 -0.38 0.18 0.00 0.00 0.00 0.00 54.91 54.72 2nup h ALA 622 Cb 1.02 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 2nup h ALA 622 CO 0.09 0.07 0.59 0.00 0.00 0.00 0.00 179.25 180.00 2nup h ALA 623 N 0.45 2.04 -0.13 0.00 0.00 -0.56 -0.97 119.26 120.09 2nup h ALA 623 Ca -0.01 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2nup h ALA 623 Cb 0.82 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2nup h ALA 623 CO 0.04 -0.32 -0.29 0.35 0.00 0.00 0.00 179.25 179.04 2nup h PHE 624 N 0.53 0.54 -0.59 0.00 3.57 -0.77 -2.99 116.94 117.22 2nup h PHE 624 Ca 0.47 -0.20 -0.05 0.00 3.53 0.00 0.00 57.97 61.72 2nup h PHE 624 Cb 1.00 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 2nup h PHE 624 CO -0.00 0.91 0.19 0.87 -2.23 0.00 0.00 178.31 178.04 2nup h LYS 625 N 0.03 0.90 -0.12 1.11 1.57 -0.33 0.34 116.57 120.07 2nup h LYS 625 Ca 0.00 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.55 2nup h LYS 625 Cb 0.88 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 2nup h LYS 625 CO 0.06 0.77 -0.23 1.25 -0.57 0.00 0.00 179.45 180.74 2nup h LEU 626 N 0.87 0.19 0.00 2.94 5.85 -1.25 -3.18 115.31 120.73 2nup h LEU 626 Ca 0.20 -0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.74 2nup h LEU 626 Cb 0.25 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2nup h LEU 626 CO -0.01 0.43 -1.87 0.23 -0.34 0.00 0.00 178.44 176.88 2nup n MET 627 N -4.20 0.65 -0.28 1.25 2.81 -0.97 -4.52 117.12 111.87 2nup n MET 627 Ca -0.01 -0.03 0.05 0.00 -1.81 0.00 0.00 57.70 55.90 2nup n MET 627 Cb 0.33 -1.61 0.12 0.00 -0.71 0.00 0.00 33.22 31.35 2nup n MET 627 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2nup n SER 628 N -2.55 -0.27 -0.21 7.83 2.88 0.11 -0.07 113.62 121.34 2nup n SER 628 Ca -0.12 1.35 0.16 0.00 -1.33 0.00 0.00 58.87 58.94 2nup n SER 628 Cb 0.77 -0.41 0.49 0.00 -0.75 0.00 0.00 64.21 64.30 2nup n SER 628 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2nup h PRO 629 N 0.00 0.44 0.00 -1.46 0.11 -1.79 -3.33 132.00 125.96 2nup h PRO 629 Ca 0.38 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.47 2nup h PRO 629 Cb 0.59 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.61 2nup h PRO 629 CO -0.81 0.29 -0.80 0.25 -0.21 0.00 0.00 178.00 176.72 2nup n THR 630 N -4.50 0.00 0.00 -1.15 -2.24 0.08 -5.15 114.28 101.33 2nup n THR 630 Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 2nup n THR 630 Cb 0.58 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2nup n THR 630 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nup n GLY 631 N 2.42 -1.21 0.00 3.38 0.00 0.91 -4.87 105.19 105.81 2nup n GLY 631 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 2nup n GLY 631 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nup n GLY 632 N -1.23 0.74 3.48 -0.02 0.00 -0.32 -4.52 105.19 103.32 2nup n GLY 632 Ca 0.00 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 2nup n GLY 632 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2nup s ARG 633 N -2.00 3.65 -0.35 1.61 3.52 -0.02 -1.84 118.95 123.52 2nup s ARG 633 Ca 0.00 -0.53 -0.04 0.00 -0.13 0.00 0.00 55.73 55.03 2nup s ARG 633 Cb 0.00 -2.93 0.07 0.00 -1.56 0.00 0.00 34.95 30.53 2nup s ARG 633 CO 0.00 0.20 0.10 1.41 -0.81 0.00 0.00 175.30 176.20 2nup s MET 634 N 0.47 2.37 -0.21 5.12 -2.45 -0.69 -1.05 119.30 122.86 2nup s MET 634 Ca -0.03 -1.41 -0.21 0.00 -1.25 0.00 0.00 55.69 52.79 2nup s MET 634 Cb -0.14 -3.41 -0.02 0.00 1.25 0.00 0.00 34.83 32.50 2nup s MET 634 CO 0.03 -0.78 0.63 -1.12 1.05 0.00 0.00 175.02 174.82 2nup s SER 635 N 1.52 6.65 -0.14 1.11 0.01 -0.68 -0.92 113.70 121.25 2nup s SER 635 Ca 0.00 0.80 0.01 0.00 1.31 0.00 0.00 55.95 58.07 2nup s SER 635 Cb -0.21 -2.34 -0.00 0.00 0.21 0.00 0.00 66.02 63.68 2nup s SER 635 CO -0.01 -0.30 -0.17 -0.69 0.41 0.00 0.00 173.24 172.48 2nup s VAL 636 N 2.08 2.54 -0.34 3.43 1.01 -0.30 0.18 120.40 129.01 2nup s VAL 636 Ca 0.28 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 2nup s VAL 636 Cb -0.16 -2.05 0.08 0.00 0.00 0.00 0.00 36.38 34.25 2nup s VAL 636 CO 0.10 0.53 0.06 -0.36 0.00 0.00 0.00 175.10 175.43 2nup s PHE 637 N 0.66 3.45 0.03 5.22 0.08 0.30 -0.39 117.98 127.33 2nup s PHE 637 Ca -0.09 -2.26 0.09 0.00 0.12 0.00 0.00 56.93 54.79 2nup s PHE 637 Cb -0.16 -2.57 -0.03 0.00 -0.57 0.00 0.00 43.02 39.69 2nup s PHE 637 CO 0.02 -0.89 -0.25 -1.14 -0.10 0.00 0.00 175.22 172.87 2nup s GLN 638 N 1.15 1.92 0.00 0.44 2.00 -0.03 -1.80 119.66 123.34 2nup s GLN 638 Ca 0.01 -1.05 0.03 0.00 -2.00 0.00 0.00 55.36 52.35 2nup s GLN 638 Cb -0.21 -2.04 -0.02 0.00 0.80 0.00 0.00 33.01 31.54 2nup s GLN 638 CO -0.03 0.53 0.16 0.25 -0.50 0.00 0.00 175.29 175.69 2nup n THR 639 N 1.86 0.00 -4.02 -0.34 -2.24 -1.26 -1.25 114.28 107.04 2nup n THR 639 Ca -0.17 -0.45 -0.10 0.00 -2.27 0.00 0.00 64.05 61.07 2nup n THR 639 Cb 0.52 1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 69.70 2nup n THR 639 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nup s GLN 640 N -1.14 1.60 0.23 -0.78 -2.07 -1.26 -3.57 119.66 112.67 2nup s GLN 640 Ca 0.01 -1.35 -0.32 0.00 -1.82 0.00 0.00 55.36 51.89 2nup s GLN 640 Cb 0.02 0.46 -0.13 0.00 -1.09 0.00 0.00 33.01 32.27 2nup s GLN 640 CO 0.10 -0.66 1.48 -0.11 -1.32 0.00 0.00 175.29 174.77 2nup n LEU 641 N -0.41 3.33 -4.70 2.60 0.00 -1.26 -4.93 117.00 111.63 2nup n LEU 641 Ca -0.01 1.13 -0.42 0.00 0.00 0.00 0.00 56.01 56.70 2nup n LEU 641 Cb 0.62 -1.46 -0.03 0.00 0.00 0.00 0.00 43.42 42.55 2nup n LEU 641 CO 0.24 -0.33 0.87 -2.84 0.00 0.00 0.00 177.39 175.33 2nup s PRO 642 N -0.12 4.42 0.00 1.96 0.02 -1.26 -4.74 135.00 135.28 2nup s PRO 642 Ca 0.70 1.63 0.00 0.00 0.02 0.00 0.00 61.00 63.35 2nup s PRO 642 Cb -0.63 -3.47 0.00 0.00 0.02 0.00 0.00 34.50 30.42 2nup s PRO 642 CO 0.47 -0.30 0.06 0.25 -0.33 0.00 0.00 177.00 177.14 2nup n THR 643 N 4.26 0.00 -4.78 0.99 -2.24 -1.07 -0.52 114.28 110.92 2nup n THR 643 Ca 0.09 -0.16 -0.33 0.00 -2.27 0.00 0.00 64.05 61.39 2nup n THR 643 Cb 0.47 1.25 -0.14 0.00 -2.10 0.00 0.00 70.33 69.81 2nup n THR 643 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2nup s LEU 644 N -0.40 2.74 0.00 3.22 2.96 -0.99 -4.87 118.68 121.34 2nup s LEU 644 Ca 0.00 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 2nup s LEU 644 Cb 0.00 -1.61 0.00 0.00 0.50 0.00 0.00 46.19 45.08 2nup s LEU 644 CO 0.00 0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.84 2nup n GLY 645 N 3.30 -2.03 3.66 7.98 0.00 -1.26 -4.02 105.19 112.82 2nup n GLY 645 Ca -0.18 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 2nup n GLY 645 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2nup n VAL 646 N -1.45 2.49 -0.52 1.61 3.14 -1.26 -2.09 118.33 120.25 2nup n VAL 646 Ca 0.00 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 2nup n VAL 646 Cb 0.12 -1.36 0.00 0.00 -1.06 0.00 0.00 33.84 31.54 2nup n VAL 646 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2nup n GLY 647 N 0.99 0.76 3.77 7.55 0.00 -1.26 -3.73 105.19 113.26 2nup n GLY 647 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 2nup n GLY 647 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nup s ALA 648 N -2.88 3.51 0.05 4.61 0.00 -0.89 -4.76 121.76 121.41 2nup s ALA 648 Ca 0.00 1.28 0.07 0.00 0.00 0.00 0.00 51.96 53.31 2nup s ALA 648 Cb 0.00 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 2nup s ALA 648 CO 0.00 -0.67 -0.18 -0.51 0.00 0.00 0.00 175.76 174.40 2nup s LEU 649 N -1.63 2.61 0.45 0.00 1.43 0.32 -4.96 118.68 116.90 2nup s LEU 649 Ca 0.50 -0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 53.00 2nup s LEU 649 Cb -0.40 -1.52 -0.08 0.00 0.03 0.00 0.00 46.19 44.22 2nup s LEU 649 CO 0.52 0.24 0.89 -0.54 0.23 0.00 0.00 176.35 177.70 2nup s LYS 650 N -1.53 3.96 0.69 1.70 -0.14 -1.26 -4.69 119.74 118.46 2nup s LYS 650 Ca 0.15 0.82 -0.12 0.00 -1.36 0.00 0.00 55.97 55.46 2nup s LYS 650 Cb -0.10 -2.24 0.01 0.00 -1.68 0.00 0.00 37.83 33.81 2nup s LYS 650 CO 0.06 -0.12 1.07 -2.14 -0.76 0.00 0.00 175.35 173.45 2nup s PRO 651 N -3.74 2.90 0.04 -1.68 0.02 -1.26 -4.90 135.00 126.38 2nup s PRO 651 Ca 0.57 1.05 0.03 0.00 0.02 0.00 0.00 61.00 62.67 2nup s PRO 651 Cb -0.10 -1.98 -0.02 0.00 0.02 0.00 0.00 34.50 32.42 2nup s PRO 651 CO 0.27 -1.13 -0.09 0.50 -0.33 0.00 0.00 177.00 176.22 2nup s ARG 652 N -4.79 0.57 -0.19 5.54 6.06 -1.26 -5.13 118.95 119.75 2nup s ARG 652 Ca 0.60 -0.70 -0.20 0.00 -2.50 0.00 0.00 55.73 52.93 2nup s ARG 652 Cb -0.15 -0.41 -0.03 0.00 0.06 0.00 0.00 34.95 34.42 2nup s ARG 652 CO 0.51 0.09 0.60 -2.00 -2.50 0.00 0.00 175.30 172.00 2nup s GLU 653 N -1.37 4.21 0.34 5.12 2.12 -1.26 -4.94 118.70 122.93 2nup s GLU 653 Ca -0.07 0.58 -0.29 0.00 0.36 0.00 0.00 54.97 55.55 2nup s GLU 653 Cb -0.09 -3.57 -0.11 0.00 0.26 0.00 0.00 34.13 30.62 2nup s GLU 653 CO 0.01 -0.21 1.53 -1.21 -0.54 0.00 0.00 175.26 174.84 2nup s GLU 654 N 1.80 4.12 0.92 4.30 0.41 -1.26 -5.01 118.70 123.98 2nup s GLU 654 Ca 0.28 2.57 -0.15 0.00 -0.41 0.00 0.00 54.97 57.26 2nup s GLU 654 Cb -0.16 -2.99 0.23 0.00 -1.78 0.00 0.00 34.13 29.43 2nup s GLU 654 CO 0.10 -0.57 0.81 -2.30 -0.49 0.00 0.00 175.26 172.82 2nup n PRO 655 N 1.14 -2.63 -4.14 0.39 -0.02 -1.26 -5.08 135.00 123.40 2nup n PRO 655 Ca 0.04 -1.30 -0.11 0.00 -2.02 0.00 0.00 63.50 60.11 2nup n PRO 655 Cb 0.38 -1.22 -0.09 0.00 -0.02 0.00 0.00 33.50 32.55 2nup n PRO 655 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2nup s ASN 656 N -3.69 0.11 0.64 2.55 2.20 -1.26 -4.96 114.94 110.54 2nup s ASN 656 Ca 0.53 -1.24 0.28 0.00 -0.94 0.00 0.00 52.86 51.48 2nup s ASN 656 Cb -0.05 0.41 1.48 0.00 -2.00 0.00 0.00 41.25 41.09 2nup s ASN 656 CO 0.41 -0.89 1.85 1.12 -2.94 0.00 0.00 177.10 176.65 2nup h HIS 657 N 2.57 0.00 0.27 1.54 2.07 -1.75 -2.69 115.15 117.15 2nup h HIS 657 Ca -0.34 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.17 2nup h HIS 657 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 2nup h HIS 657 CO 0.37 0.00 -0.13 -0.09 -3.07 0.00 0.00 177.93 175.01 2nup h ARG 658 N 0.00 -0.35 -6.04 5.12 2.43 -1.87 -3.44 114.38 110.23 2nup h ARG 658 Ca 0.07 0.02 -0.75 0.00 -0.81 0.00 0.00 59.98 58.51 2nup h ARG 658 Cb 0.92 0.08 0.06 0.00 -0.42 0.00 0.00 29.97 30.61 2nup h ARG 658 CO -0.00 -0.23 -0.03 -1.13 -1.51 0.00 0.00 179.97 177.07 2nup n SER 659 N -5.01 -0.09 -3.09 -3.80 3.41 -1.02 -4.97 113.62 99.06 2nup n SER 659 Ca -0.04 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.72 2nup n SER 659 Cb 0.14 -0.96 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 2nup n SER 659 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2nup n SER 660 N 1.70 -0.20 -2.30 4.04 3.41 -1.26 -4.85 113.62 114.15 2nup n SER 660 Ca 0.19 -0.17 -0.25 0.00 -0.26 0.00 0.00 58.87 58.37 2nup n SER 660 Cb 0.13 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.08 2nup n SER 660 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nup n ALA 661 N -3.00 5.99 -3.12 7.33 0.00 -1.26 -5.09 120.51 121.36 2nup n ALA 661 Ca 0.00 -2.71 -0.39 0.00 0.00 0.00 0.00 53.44 50.34 2nup n ALA 661 Cb 0.00 -1.83 -0.01 0.00 0.00 0.00 0.00 19.45 17.61 2nup n ALA 661 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2nup n LYS 662 N 0.36 3.96 0.00 0.00 5.02 -1.26 -4.38 118.16 121.86 2nup n LYS 662 Ca 0.44 -4.59 0.00 0.00 -2.02 0.00 0.00 58.31 52.14 2nup n LYS 662 Cb 0.54 -2.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 2nup n LYS 662 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2nup n MET 666 N 1.20 0.00 -1.52 1.97 2.81 -1.26 -5.13 117.12 115.19 2nup n MET 666 Ca 0.27 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.86 2nup n MET 666 Cb 0.35 0.00 0.08 0.00 -0.71 0.00 0.00 33.22 32.94 2nup n MET 666 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2nup s THR 667 N 0.00 3.40 0.29 2.03 -4.23 -1.26 -4.74 115.64 111.12 2nup s THR 667 Ca 0.00 0.45 -0.29 0.00 -1.18 0.00 0.00 61.69 60.67 2nup s THR 667 Cb 0.00 -3.17 -0.10 0.00 1.34 0.00 0.00 72.50 70.58 2nup s THR 667 CO 0.00 -0.59 1.18 -2.84 -0.54 0.00 0.00 174.62 171.83 2nup s PRO 668 N -5.09 4.53 0.00 3.99 0.02 -1.23 -4.69 135.00 132.53 2nup s PRO 668 Ca 0.60 1.96 0.28 0.00 0.02 0.00 0.00 61.00 63.86 2nup s PRO 668 Cb -0.15 -3.15 1.14 0.00 0.02 0.00 0.00 34.50 32.36 2nup s PRO 668 CO 0.55 0.04 1.80 -1.13 -0.33 0.00 0.00 177.00 177.93 2nup n SER 669 N 1.19 0.99 -3.79 2.53 3.41 -1.26 -4.88 113.62 111.80 2nup n SER 669 Ca -0.00 -1.11 -0.09 0.00 -0.26 0.00 0.00 58.87 57.41 2nup n SER 669 Cb 0.44 0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 2nup n SER 669 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2nup s THR 670 N -2.20 0.01 -0.83 6.66 -1.32 -1.26 -5.06 115.64 111.64 2nup s THR 670 Ca 0.35 -0.87 0.07 0.00 -1.21 0.00 0.00 61.69 60.03 2nup s THR 670 Cb 0.21 -1.77 0.03 0.00 -1.51 0.00 0.00 72.50 69.46 2nup s THR 670 CO 0.41 -0.04 0.65 -0.90 -2.21 0.00 0.00 174.62 172.53 2nup n ASP 671 N -0.40 1.37 -0.27 8.08 5.75 -1.26 -4.73 116.55 125.10 2nup n ASP 671 Ca -0.07 -1.19 -0.02 0.00 -0.01 0.00 0.00 54.79 53.50 2nup n ASP 671 Cb 0.61 0.20 0.04 0.00 -1.03 0.00 0.00 41.12 40.95 2nup n ASP 671 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2nup h PHE 672 N 1.20 -0.79 0.00 2.11 3.57 -1.97 0.17 116.94 121.23 2nup h PHE 672 Ca 0.00 0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 2nup h PHE 672 Cb 0.29 0.46 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 2nup h PHE 672 CO 0.00 -0.37 -0.15 1.88 -2.23 0.00 0.00 178.31 177.43 2nup h TYR 673 N -0.07 0.00 0.00 0.41 0.05 -1.85 -0.67 116.97 114.84 2nup h TYR 673 Ca 0.31 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.94 2nup h TYR 673 Cb 0.57 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.32 2nup h TYR 673 CO -0.69 0.15 -0.58 -0.22 -1.05 0.00 0.00 178.16 175.78 2nup h LYS 674 N 0.00 0.39 -0.10 4.88 3.64 -1.01 -2.66 116.57 121.71 2nup h LYS 674 Ca -0.00 -0.42 -0.01 0.00 -1.27 0.00 0.00 60.65 58.95 2nup h LYS 674 Cb 0.48 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2nup h LYS 674 CO 0.02 1.09 0.04 0.87 -2.27 0.00 0.00 179.45 179.20 2nup h LYS 675 N -0.15 0.15 -0.99 1.90 1.57 -0.74 -2.32 116.57 116.00 2nup h LYS 675 Ca -0.07 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.76 2nup h LYS 675 Cb 1.30 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.51 2nup h LYS 675 CO 0.11 0.26 0.63 1.25 -0.57 0.00 0.00 179.45 181.13 2nup h LEU 676 N 0.01 0.98 -0.59 2.94 5.85 -1.23 -0.78 115.31 122.49 2nup h LEU 676 Ca 0.03 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2nup h LEU 676 Cb 0.16 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2nup h LEU 676 CO -0.00 0.59 0.33 0.00 -0.34 0.00 0.00 178.44 179.02 2nup h ALA 677 N 1.48 0.76 -0.43 1.25 0.00 -1.22 0.13 119.26 121.23 2nup h ALA 677 Ca 0.45 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 2nup h ALA 677 Cb 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2nup h ALA 677 CO -0.20 0.27 0.05 -0.07 0.00 0.00 0.00 179.25 179.30 2nup h LEU 678 N 0.80 0.62 -0.26 0.00 3.38 -0.75 0.18 115.31 119.29 2nup h LEU 678 Ca 0.21 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2nup h LEU 678 Cb 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2nup h LEU 678 CO -0.03 0.65 0.00 0.44 0.09 0.00 0.00 178.44 179.59 2nup h ASP 679 N 0.63 0.44 -0.11 -0.43 5.19 -0.38 -0.85 116.42 120.91 2nup h ASP 679 Ca 0.14 -0.30 0.02 0.00 -0.62 0.00 0.00 57.03 56.26 2nup h ASP 679 Cb 0.32 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 2nup h ASP 679 CO 0.01 0.63 0.01 0.00 -3.12 0.00 0.00 179.24 176.77 2nup h SER 681 N 0.05 0.07 0.42 0.00 0.87 -0.45 0.30 113.55 114.80 2nup h SER 681 Ca 0.05 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2nup h SER 681 Cb 0.05 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2nup h SER 681 CO -0.08 -0.01 0.00 0.61 -0.53 0.00 0.00 176.83 176.83 2nup n GLY 682 N -1.34 -0.93 0.56 5.77 0.00 -0.34 -2.04 105.19 106.87 2nup n GLY 682 Ca 0.14 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.20 2nup n GLY 682 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2nup n GLN 683 N -1.60 2.80 -2.60 1.61 1.13 0.93 -4.96 117.38 114.69 2nup n GLN 683 Ca 0.03 -2.20 -0.15 0.00 -1.94 0.00 0.00 57.00 52.73 2nup n GLN 683 Cb 0.14 -1.39 0.01 0.00 0.11 0.00 0.00 30.24 29.11 2nup n GLN 683 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2nup n GLN 684 N -0.05 -2.61 -3.93 -1.09 1.13 -0.86 -3.86 117.38 106.11 2nup n GLN 684 Ca 0.13 0.67 -0.35 0.00 -1.94 0.00 0.00 57.00 55.51 2nup n GLN 684 Cb 0.53 -4.99 -0.14 0.00 0.11 0.00 0.00 30.24 25.75 2nup n GLN 684 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2nup s VAL 685 N -2.89 3.19 0.07 5.09 1.01 -0.51 -1.17 120.40 125.19 2nup s VAL 685 Ca 0.13 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.52 2nup s VAL 685 Cb -0.06 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 2nup s VAL 685 CO 0.16 0.39 0.09 0.00 0.00 0.00 0.00 175.10 175.74 2nup s ALA 686 N 1.44 3.59 -0.12 5.51 0.00 -0.77 -3.30 121.76 128.13 2nup s ALA 686 Ca 0.05 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.05 2nup s ALA 686 Cb -0.15 -1.47 0.01 0.00 0.00 0.00 0.00 23.12 21.51 2nup s ALA 686 CO -0.04 0.75 -0.21 0.08 0.00 0.00 0.00 175.76 176.34 2nup s VAL 687 N -1.38 1.91 -0.23 0.00 1.01 -1.26 -1.70 120.40 118.75 2nup s VAL 687 Ca 0.29 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 2nup s VAL 687 Cb -0.12 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 2nup s VAL 687 CO 0.22 0.52 0.06 -1.81 0.00 0.00 0.00 175.10 174.09 2nup s ASP 688 N 0.66 5.18 -0.23 3.32 1.01 -0.10 -3.80 116.67 122.70 2nup s ASP 688 Ca -0.12 -0.16 -0.15 0.00 0.71 0.00 0.00 52.55 52.83 2nup s ASP 688 Cb -0.16 -1.92 -0.04 0.00 1.01 0.00 0.00 42.92 41.81 2nup s ASP 688 CO 0.02 0.01 0.37 -0.22 0.21 0.00 0.00 175.17 175.57 2nup s LEU 689 N 1.32 4.10 -0.49 1.23 2.96 -0.50 -1.15 118.68 126.15 2nup s LEU 689 Ca 0.05 0.39 -0.00 0.00 -0.22 0.00 0.00 54.13 54.35 2nup s LEU 689 Cb -0.15 -2.45 0.13 0.00 0.50 0.00 0.00 46.19 44.22 2nup s LEU 689 CO 0.03 -0.12 0.27 -0.36 -1.32 0.00 0.00 176.35 174.85 2nup s PHE 690 N 1.64 3.47 -0.35 5.38 0.08 0.48 0.18 117.98 128.85 2nup s PHE 690 Ca 0.17 -2.79 -0.13 0.00 0.12 0.00 0.00 56.93 54.29 2nup s PHE 690 Cb -0.15 -3.07 -0.01 0.00 -0.57 0.00 0.00 43.02 39.22 2nup s PHE 690 CO 0.08 -0.87 0.26 -1.17 -0.10 0.00 0.00 175.22 173.42 2nup s LEU 691 N 0.38 4.62 -0.66 -0.37 2.96 -0.67 -0.85 118.68 124.08 2nup s LEU 691 Ca 0.14 -0.49 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 2nup s LEU 691 Cb -0.22 -2.16 0.29 0.00 0.50 0.00 0.00 46.19 44.60 2nup s LEU 691 CO -0.04 -0.28 0.94 0.18 -1.32 0.00 0.00 176.35 175.83 2nup n LEU 692 N 5.14 4.43 -4.86 -0.68 4.32 -0.38 -1.31 117.00 123.67 2nup n LEU 692 Ca -0.12 -5.53 -0.37 0.00 -0.02 0.00 0.00 56.01 49.97 2nup n LEU 692 Cb 0.49 -0.69 -0.06 0.00 -1.62 0.00 0.00 43.42 41.55 2nup n LEU 692 CO 0.38 2.16 -0.01 -0.94 -1.22 0.00 0.00 177.39 177.76 2nup s SER 693 N -2.79 6.61 0.00 -1.43 1.04 -1.23 -4.50 113.70 111.38 2nup s SER 693 Ca 0.43 0.72 0.24 0.00 0.48 0.00 0.00 55.95 57.82 2nup s SER 693 Cb 0.20 -2.16 0.20 0.00 0.10 0.00 0.00 66.02 64.36 2nup s SER 693 CO -0.06 0.32 1.24 0.61 0.98 0.00 0.00 173.24 176.32 2nup n GLY 694 N 1.62 0.46 3.36 7.32 0.00 -1.25 -1.19 105.19 115.50 2nup n GLY 694 Ca -0.14 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.14 2nup n GLY 694 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nup s GLN 695 N -2.22 1.22 0.19 1.61 -0.21 -1.26 -4.82 119.66 114.17 2nup s GLN 695 Ca 0.25 -1.23 -0.30 0.00 0.02 0.00 0.00 55.36 54.09 2nup s GLN 695 Cb 0.19 0.38 -0.16 0.00 1.00 0.00 0.00 33.01 34.42 2nup s GLN 695 CO 0.42 -0.45 0.83 0.98 -2.12 0.00 0.00 175.29 174.96 2nup n TYR 696 N -0.24 0.44 -0.97 0.91 9.36 -1.26 -4.75 117.16 120.65 2nup n TYR 696 Ca -0.06 0.86 0.00 0.00 3.32 0.00 0.00 57.90 62.02 2nup n TYR 696 Cb 0.63 -2.11 0.00 0.00 -0.63 0.00 0.00 39.34 37.23 2nup n TYR 696 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2nup n SER 697 N 1.75 0.28 -3.50 2.98 7.64 -1.26 -4.02 113.62 117.49 2nup n SER 697 Ca 0.16 -1.24 -0.19 0.00 1.01 0.00 0.00 58.87 58.60 2nup n SER 697 Cb 0.25 -0.02 0.06 0.00 -1.01 0.00 0.00 64.21 63.49 2nup n SER 697 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2nup n ASP 698 N -0.08 -2.96 0.30 6.43 -0.08 -1.26 -4.64 116.55 114.26 2nup n ASP 698 Ca 0.00 -0.74 0.17 0.00 -1.51 0.00 0.00 54.79 52.72 2nup n ASP 698 Cb 0.49 -4.64 0.91 0.00 2.34 0.00 0.00 41.12 40.21 2nup n ASP 698 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2nup h LEU 699 N -1.72 0.00 -2.64 -2.67 5.85 -1.95 -0.64 115.31 111.54 2nup h LEU 699 Ca -0.61 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.11 2nup h LEU 699 Cb 1.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.37 2nup h LEU 699 CO 0.51 0.04 0.00 0.00 -0.34 0.00 0.00 178.44 178.66 2nup h ALA 700 N 1.96 1.00 0.00 1.25 0.00 -1.88 0.31 119.26 121.90 2nup h ALA 700 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 2nup h ALA 700 Cb 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 2nup h ALA 700 CO 0.01 -0.00 -2.05 0.43 0.00 0.00 0.00 179.25 177.63 2nup n SER 701 N -2.89 1.43 -0.01 0.00 7.64 -0.34 -3.58 113.62 115.86 2nup n SER 701 Ca -0.03 0.25 0.18 0.00 1.01 0.00 0.00 58.87 60.28 2nup n SER 701 Cb 0.07 -0.59 0.65 0.00 -1.01 0.00 0.00 64.21 63.32 2nup n SER 701 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2nup h LEU 702 N -0.72 0.08 -1.59 -3.43 3.38 -1.00 -1.60 115.31 110.43 2nup h LEU 702 Ca -0.48 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 2nup h LEU 702 Cb 1.41 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 2nup h LEU 702 CO -0.29 0.04 -0.14 1.23 0.09 0.00 0.00 178.44 179.37 2nup h GLY 703 N 0.08 0.10 1.02 0.83 0.00 -0.63 -2.76 103.07 101.71 2nup h GLY 703 Ca 0.26 -0.06 0.13 0.00 0.00 0.00 0.00 47.33 47.66 2nup h GLY 703 CO -0.02 0.05 0.37 0.00 0.00 0.00 0.00 176.54 176.94 2nup h ILE 705 N 0.00 1.14 0.05 0.00 6.09 -1.49 -2.84 117.51 120.46 2nup h ILE 705 Ca 0.21 -0.56 -0.37 0.00 -1.37 0.00 0.00 64.86 62.77 2nup h ILE 705 Cb 0.94 0.99 -0.05 0.00 0.47 0.00 0.00 36.82 39.17 2nup h ILE 705 CO -0.00 0.19 -2.20 -1.20 -3.07 0.00 0.00 178.15 171.86 2nup n SER 706 N -4.35 1.68 -0.17 2.19 7.64 0.26 -4.11 113.62 116.76 2nup n SER 706 Ca 0.00 0.07 -0.04 0.00 1.01 0.00 0.00 58.87 59.91 2nup n SER 706 Cb 0.20 -0.38 0.06 0.00 -1.01 0.00 0.00 64.21 63.08 2nup n SER 706 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2nup h ARG 707 N 0.03 0.50 -0.45 1.43 3.08 -1.12 -0.38 114.38 117.47 2nup h ARG 707 Ca -0.49 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2nup h ARG 707 Cb 2.01 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.94 2nup h ARG 707 CO 0.01 0.33 0.00 0.66 -1.07 0.00 0.00 179.97 179.90 2nup n TYR 708 N -4.88 0.60 -0.42 3.04 4.01 -1.08 -1.53 117.16 116.90 2nup n TYR 708 Ca 0.05 -0.30 0.02 0.00 -0.16 0.00 0.00 57.90 57.50 2nup n TYR 708 Cb 0.14 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.20 2nup n TYR 708 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2nup n SER 709 N 0.85 1.63 -2.32 7.72 3.41 -1.09 -4.29 113.62 119.53 2nup n SER 709 Ca 0.16 -2.00 -0.18 0.00 -0.26 0.00 0.00 58.87 56.58 2nup n SER 709 Cb 0.39 -0.08 0.02 0.00 -0.26 0.00 0.00 64.21 64.29 2nup n SER 709 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nup n ALA 710 N -0.54 -0.71 -1.71 7.33 0.00 -1.12 -4.03 120.51 119.73 2nup n ALA 710 Ca 0.03 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2nup n ALA 710 Cb 0.37 -2.88 0.00 0.00 0.00 0.00 0.00 19.45 16.95 2nup n ALA 710 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nup n GLY 711 N -1.28 1.61 3.60 0.00 0.00 -0.17 -4.57 105.19 104.39 2nup n GLY 711 Ca -0.12 -1.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.07 2nup n GLY 711 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2nup s SER 712 N -1.00 -0.51 -0.03 1.61 1.04 -1.25 -4.85 113.70 108.72 2nup s SER 712 Ca 0.00 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.25 2nup s SER 712 Cb 0.00 0.77 -0.04 0.00 0.10 0.00 0.00 66.02 66.86 2nup s SER 712 CO 0.00 -0.28 0.02 0.68 0.98 0.00 0.00 173.24 174.63 2nup s VAL 713 N -0.31 4.32 -0.02 5.02 -7.23 -1.26 -1.41 120.40 119.50 2nup s VAL 713 Ca -0.01 -0.46 0.07 0.00 -1.81 0.00 0.00 61.98 59.78 2nup s VAL 713 Cb -0.03 -2.90 -0.02 0.00 0.56 0.00 0.00 36.38 33.99 2nup s VAL 713 CO -0.01 0.44 -0.24 -0.31 -0.31 0.00 0.00 175.10 174.68 2nup s TYR 714 N -1.05 2.16 -0.10 2.82 2.02 0.46 -4.93 117.35 118.74 2nup s TYR 714 Ca 0.18 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.46 2nup s TYR 714 Cb -0.12 -1.40 0.02 0.00 -0.40 0.00 0.00 41.96 40.07 2nup s TYR 714 CO 0.08 -0.06 -0.11 -0.47 -1.57 0.00 0.00 175.55 173.43 2nup s TYR 715 N -0.51 1.66 -0.54 2.71 5.04 -1.26 -1.68 117.35 122.76 2nup s TYR 715 Ca 0.08 -0.78 0.04 0.00 -2.44 0.00 0.00 57.07 53.97 2nup s TYR 715 Cb -0.10 -1.27 0.15 0.00 0.35 0.00 0.00 41.96 41.10 2nup s TYR 715 CO -0.00 -0.45 0.35 0.71 -1.34 0.00 0.00 175.55 174.81 2nup s TYR 716 N 1.22 2.65 0.06 4.97 2.02 -0.42 -5.02 117.35 122.83 2nup s TYR 716 Ca -0.03 -2.88 -0.30 0.00 -0.37 0.00 0.00 57.07 53.48 2nup s TYR 716 Cb -0.14 -2.22 -0.09 0.00 -0.40 0.00 0.00 41.96 39.11 2nup s TYR 716 CO -0.04 -0.70 1.93 -1.25 -1.57 0.00 0.00 175.55 173.93 2nup s PRO 717 N -0.45 4.14 -1.29 -1.71 0.04 -1.26 -3.04 135.00 131.43 2nup s PRO 717 Ca 0.22 2.62 -0.02 0.00 0.04 0.00 0.00 61.00 63.85 2nup s PRO 717 Cb -0.14 -4.01 0.01 0.00 0.04 0.00 0.00 34.50 30.40 2nup s PRO 717 CO -0.09 -0.93 0.92 0.43 0.04 0.00 0.00 177.00 177.38 2nup n SER 718 N 7.04 -2.54 -4.76 6.66 7.64 -0.34 -4.94 113.62 122.38 2nup n SER 718 Ca 0.19 -0.69 -0.41 0.00 1.01 0.00 0.00 58.87 58.97 2nup n SER 718 Cb 0.40 -4.65 -0.02 0.00 -1.01 0.00 0.00 64.21 58.93 2nup n SER 718 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2nup s TYR 719 N -3.46 3.05 -0.23 1.43 5.04 -1.17 -4.71 117.35 117.31 2nup s TYR 719 Ca 0.13 1.24 -0.17 0.00 -2.44 0.00 0.00 57.07 55.84 2nup s TYR 719 Cb -0.06 -3.73 0.07 0.00 0.35 0.00 0.00 41.96 38.58 2nup s TYR 719 CO 0.77 -2.19 0.59 -1.58 -1.34 0.00 0.00 175.55 171.79 2nup s HIS 720 N -0.56 -0.78 0.37 4.97 2.46 -1.26 -4.75 115.29 115.74 2nup s HIS 720 Ca 0.54 1.71 0.05 0.00 0.47 0.00 0.00 55.06 57.82 2nup s HIS 720 Cb -0.40 0.36 0.70 0.00 -0.13 0.00 0.00 32.58 33.11 2nup s HIS 720 CO 0.48 -0.39 1.96 1.12 -2.47 0.00 0.00 174.74 175.44 2nup h HIS 721 N 6.16 0.57 0.00 3.88 2.07 -1.24 -2.89 115.15 123.70 2nup h HIS 721 Ca -0.31 -0.02 -0.20 0.00 -2.85 0.00 0.00 60.37 57.00 2nup h HIS 721 Cb 1.19 -0.18 -0.03 0.00 2.57 0.00 0.00 27.41 30.96 2nup h HIS 721 CO 0.25 0.45 -1.57 1.04 -3.07 0.00 0.00 177.93 175.04 2nup n GLN 722 N -4.38 0.47 -0.16 5.12 6.02 -1.26 -4.76 117.38 118.43 2nup n GLN 722 Ca 0.03 0.20 -0.05 0.00 -0.01 0.00 0.00 57.00 57.17 2nup n GLN 722 Cb 0.15 -1.31 0.05 0.00 1.02 0.00 0.00 30.24 30.15 2nup n GLN 722 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2nup h HIS 723 N -0.84 0.43 -2.60 1.08 3.86 -1.98 -3.35 115.15 111.76 2nup h HIS 723 Ca -0.30 0.02 -0.72 0.00 -1.16 0.00 0.00 60.37 58.21 2nup h HIS 723 Cb 1.18 -0.12 -0.34 0.00 1.06 0.00 0.00 27.41 29.19 2nup h HIS 723 CO -0.22 0.21 0.22 -1.71 0.86 0.00 0.00 177.93 177.29 2nup n ASN 724 N -4.90 5.36 -0.30 2.45 2.85 -1.09 -4.91 115.26 114.73 2nup n ASN 724 Ca 0.04 -3.44 0.26 0.00 -0.11 0.00 0.00 54.58 51.33 2nup n ASN 724 Cb 0.13 -1.02 0.60 0.00 1.24 0.00 0.00 39.78 40.74 2nup n ASN 724 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2nup h PRO 725 N 4.85 0.23 -0.18 1.20 0.13 -1.77 -2.08 132.00 134.38 2nup h PRO 725 Ca 0.21 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 65.27 2nup h PRO 725 Cb 0.62 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.70 2nup h PRO 725 CO 1.13 0.15 -0.10 0.28 -0.23 0.00 0.00 178.00 179.23 2nup h VAL 726 N 0.24 1.31 -0.69 1.56 2.07 -1.93 -2.18 116.25 116.63 2nup h VAL 726 Ca 0.55 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 2nup h VAL 726 Cb 1.70 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 33.13 2nup h VAL 726 CO -0.17 0.35 0.33 1.56 0.02 0.00 0.00 177.57 179.66 2nup h GLN 727 N 0.07 0.98 0.82 1.57 1.08 -1.76 -1.31 115.11 116.55 2nup h GLN 727 Ca 0.04 -0.13 -0.04 0.00 -1.45 0.00 0.00 58.65 57.07 2nup h GLN 727 Cb 0.59 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 27.83 2nup h GLN 727 CO 0.03 0.76 -0.49 0.28 -0.95 0.00 0.00 178.83 178.46 2nup h VAL 728 N 0.98 0.02 -0.49 -0.54 2.07 -1.37 0.93 116.25 117.84 2nup h VAL 728 Ca 0.24 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.77 2nup h VAL 728 Cb 0.10 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 2nup h VAL 728 CO -0.03 0.00 0.33 -0.61 0.02 0.00 0.00 177.57 177.27 2nup h GLN 729 N -1.22 0.64 0.56 1.57 4.15 -1.29 -1.33 115.11 118.19 2nup h GLN 729 Ca -0.11 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.24 2nup h GLN 729 Cb 0.97 -0.14 0.01 0.00 0.21 0.00 0.00 27.48 28.52 2nup h GLN 729 CO 0.12 0.42 -0.27 -0.22 -1.93 0.00 0.00 178.83 176.95 2nup h LYS 730 N 0.65 -0.72 -0.98 1.69 3.64 -0.92 -1.71 116.57 118.23 2nup h LYS 730 Ca 0.18 0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.75 2nup h LYS 730 Cb -0.06 0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 31.84 2nup h LYS 730 CO -0.04 -0.44 0.62 1.25 -2.27 0.00 0.00 179.45 178.56 2nup h LEU 731 N -0.84 0.83 0.55 5.20 5.85 -0.51 0.07 115.31 126.46 2nup h LEU 731 Ca -0.08 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 2nup h LEU 731 Cb 0.61 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2nup h LEU 731 CO 0.13 0.41 -0.44 -0.61 -0.34 0.00 0.00 178.44 177.58 2nup h GLN 732 N 0.87 -0.94 0.00 1.25 5.75 -0.82 0.20 115.11 121.42 2nup h GLN 732 Ca 0.50 0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 59.00 2nup h GLN 732 Cb 0.64 0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.39 2nup h GLN 732 CO -0.27 -0.63 -0.33 0.87 -2.65 0.00 0.00 178.83 175.82 2nup h LYS 733 N -0.97 0.00 -0.03 1.69 1.79 -0.83 -1.15 116.57 117.06 2nup h LYS 733 Ca -0.06 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.22 2nup h LYS 733 Cb 0.83 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.47 2nup h LYS 733 CO -0.01 0.33 -0.79 0.93 -1.08 0.00 0.00 179.45 178.84 2nup h GLU 734 N 0.00 0.26 -0.09 3.15 5.08 -0.74 -2.61 114.58 119.63 2nup h GLU 734 Ca -0.00 -0.25 -0.15 0.00 -1.00 0.00 0.00 59.36 57.96 2nup h GLU 734 Cb 0.61 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2nup h GLU 734 CO 0.04 0.92 -0.60 -0.07 -1.00 0.00 0.00 179.01 178.30 2nup h LEU 735 N 0.17 0.34 0.28 1.33 3.38 -0.20 -1.45 115.31 119.15 2nup h LEU 735 Ca -0.04 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 2nup h LEU 735 Cb 1.38 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 2nup h LEU 735 CO 0.13 0.86 -0.25 -0.61 0.09 0.00 0.00 178.44 178.65 2nup h GLN 736 N 0.22 -0.53 0.60 1.13 5.75 -1.08 0.55 115.11 121.75 2nup h GLN 736 Ca -0.01 0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 2nup h GLN 736 Cb 1.12 0.12 -0.01 0.00 1.07 0.00 0.00 27.48 29.78 2nup h GLN 736 CO 0.10 -0.35 -0.42 -0.09 -2.65 0.00 0.00 178.83 175.41 2nup h ARG 737 N -0.55 -0.95 -0.81 1.69 9.65 -1.39 -1.84 114.38 120.19 2nup h ARG 737 Ca -0.01 0.06 0.19 0.00 -1.10 0.00 0.00 59.98 59.12 2nup h ARG 737 Cb 0.50 0.22 -0.14 0.00 -1.39 0.00 0.00 29.97 29.15 2nup h ARG 737 CO -0.04 -0.63 -0.01 -0.92 2.80 0.00 0.00 179.97 181.17 2nup h TYR 738 N -0.99 -0.08 0.00 2.20 3.20 -1.14 -0.10 116.97 120.07 2nup h TYR 738 Ca -0.07 0.06 -0.13 0.00 3.14 0.00 0.00 58.73 61.73 2nup h TYR 738 Cb 0.82 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.23 2nup h TYR 738 CO -0.15 -0.28 -0.61 -0.07 -1.64 0.00 0.00 178.16 175.41 2nup h LEU 739 N 0.08 0.00 -0.85 2.82 3.38 -0.70 -3.35 115.31 116.69 2nup h LEU 739 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 2nup h LEU 739 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2nup h LEU 739 CO -0.73 0.61 -0.23 0.35 0.09 0.00 0.00 178.44 178.53 2nup n THR 740 N -3.45 0.00 -1.56 0.22 -2.24 -0.71 -4.29 114.28 102.25 2nup n THR 740 Ca 0.00 -0.38 -0.31 0.00 -2.27 0.00 0.00 64.05 61.09 2nup n THR 740 Cb 0.70 1.15 0.06 0.00 -2.10 0.00 0.00 70.33 70.14 2nup n THR 740 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nup s ARG 741 N -1.50 2.75 0.97 -0.78 1.70 -0.12 -4.85 118.95 117.12 2nup s ARG 741 Ca 0.10 0.89 -0.12 0.00 -0.47 0.00 0.00 55.73 56.13 2nup s ARG 741 Cb 0.10 -1.97 0.17 0.00 -0.57 0.00 0.00 34.95 32.67 2nup s ARG 741 CO 0.29 -1.21 1.09 -1.59 -1.08 0.00 0.00 175.30 172.80 2nup s LYS 742 N -5.07 0.66 -0.09 3.89 -2.85 -1.26 -4.71 119.74 110.32 2nup s LYS 742 Ca 0.59 0.59 -0.23 0.00 -1.00 0.00 0.00 55.97 55.92 2nup s LYS 742 Cb -0.14 -1.76 0.05 0.00 -2.06 0.00 0.00 37.83 33.92 2nup s LYS 742 CO 0.55 -2.59 0.53 -1.50 0.10 0.00 0.00 175.35 172.44 2nup s ILE 743 N -2.97 0.02 0.10 3.79 2.07 -1.26 -4.42 121.20 118.53 2nup s ILE 743 Ca 0.65 -0.14 0.10 0.00 -1.41 0.00 0.00 60.65 59.85 2nup s ILE 743 Cb -0.18 -0.82 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 2nup s ILE 743 CO 0.57 -0.08 -0.26 -0.83 -1.91 0.00 0.00 174.94 172.44 2nup s GLY 744 N -0.78 1.48 0.20 1.50 0.00 -1.01 -3.84 107.32 104.87 2nup s GLY 744 Ca -0.08 -1.38 0.11 0.00 0.00 0.00 0.00 44.72 43.37 2nup s GLY 744 CO 0.05 -1.34 -0.19 -1.36 0.00 0.00 0.00 173.10 170.27 2nup s PHE 745 N -1.00 2.40 -1.09 1.90 0.08 0.22 -2.11 117.98 118.38 2nup s PHE 745 Ca 0.12 -0.32 -0.25 0.00 0.12 0.00 0.00 56.93 56.60 2nup s PHE 745 Cb -0.10 -1.16 0.04 0.00 -0.57 0.00 0.00 43.02 41.23 2nup s PHE 745 CO 0.05 0.54 0.48 -0.85 -0.10 0.00 0.00 175.22 175.33 2nup n GLU 746 N 0.05 -0.42 -3.80 0.44 0.28 -1.07 -0.94 120.64 115.19 2nup n GLU 746 Ca -0.11 -0.01 -0.22 0.00 -0.16 0.00 0.00 57.16 56.66 2nup n GLU 746 Cb 0.56 -2.13 -0.05 0.00 1.43 0.00 0.00 31.44 31.26 2nup n GLU 746 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2nup s ALA 747 N -3.82 3.85 0.00 -1.84 0.00 -0.83 -4.54 121.76 114.58 2nup s ALA 747 Ca 0.35 -1.89 -0.08 0.00 0.00 0.00 0.00 51.96 50.34 2nup s ALA 747 Cb -0.20 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.07 2nup s ALA 747 CO 0.84 -0.14 0.16 0.14 0.00 0.00 0.00 175.76 176.76 2nup s VAL 748 N -2.47 0.08 0.03 0.00 -7.23 -0.14 -0.91 120.40 109.77 2nup s VAL 748 Ca 0.44 -0.66 0.04 0.00 -1.81 0.00 0.00 61.98 59.99 2nup s VAL 748 Cb -0.02 -0.45 -0.02 0.00 0.56 0.00 0.00 36.38 36.45 2nup s VAL 748 CO 0.26 -0.36 -0.11 -0.32 -0.31 0.00 0.00 175.10 174.26 2nup s MET 749 N -1.36 0.73 0.04 4.82 1.75 -0.10 -0.67 119.30 124.51 2nup s MET 749 Ca -0.14 -0.65 0.04 0.00 -1.25 0.00 0.00 55.69 53.68 2nup s MET 749 Cb -0.07 -0.67 -0.02 0.00 2.84 0.00 0.00 34.83 36.91 2nup s MET 749 CO 0.02 0.16 -0.12 0.50 -0.65 0.00 0.00 175.02 174.93 2nup s ARG 750 N -1.06 0.79 -0.20 4.11 6.06 -1.01 0.98 118.95 128.61 2nup s ARG 750 Ca -0.01 -0.70 0.01 0.00 -2.50 0.00 0.00 55.73 52.52 2nup s ARG 750 Cb -0.07 -0.75 0.03 0.00 0.06 0.00 0.00 34.95 34.22 2nup s ARG 750 CO 0.01 0.18 -0.16 0.42 -2.50 0.00 0.00 175.30 173.25 2nup s ILE 751 N -0.89 2.23 0.22 4.11 -1.09 -1.26 -1.39 121.20 123.13 2nup s ILE 751 Ca -0.01 -1.07 0.06 0.00 -2.23 0.00 0.00 60.65 57.41 2nup s ILE 751 Cb -0.08 -2.04 -0.04 0.00 -1.58 0.00 0.00 42.46 38.73 2nup s ILE 751 CO 0.01 0.39 0.19 -0.13 -1.23 0.00 0.00 174.94 174.17 2nup s ARG 752 N 1.26 2.96 -0.29 2.79 0.52 0.51 -4.93 118.95 121.78 2nup s ARG 752 Ca 0.02 -0.96 -0.03 0.00 -0.52 0.00 0.00 55.73 54.23 2nup s ARG 752 Cb -0.15 -2.62 0.19 0.00 0.52 0.00 0.00 34.95 32.89 2nup s ARG 752 CO -0.10 0.43 0.83 0.00 0.02 0.00 0.00 175.30 176.48 2nup n THR 754 N 5.28 0.00 -1.61 0.00 -1.04 -1.01 -4.13 114.28 111.78 2nup n THR 754 Ca 0.06 0.00 -0.53 0.00 -2.04 0.00 0.00 64.05 61.53 2nup n THR 754 Cb 0.55 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.00 2nup n THR 754 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2nup n LYS 755 N 0.00 1.08 0.00 -2.82 4.81 0.17 -1.36 118.16 120.04 2nup n LYS 755 Ca 0.00 0.39 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 2nup n LYS 755 Cb 0.00 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.02 2nup n LYS 755 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2nup n GLY 756 N 2.76 2.45 3.64 3.14 0.00 -1.26 -4.98 105.19 110.94 2nup n GLY 756 Ca 0.20 -0.88 -0.37 0.00 0.00 0.00 0.00 46.02 44.97 2nup n GLY 756 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nup s LEU 757 N 0.00 4.10 -0.06 0.99 1.43 -0.46 -0.25 118.68 124.42 2nup s LEU 757 Ca 0.00 0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.28 2nup s LEU 757 Cb 0.00 -2.16 -0.00 0.00 0.03 0.00 0.00 46.19 44.05 2nup s LEU 757 CO 0.00 0.02 -0.20 -0.55 0.23 0.00 0.00 176.35 175.85 2nup s SER 758 N 1.23 2.54 -0.05 2.29 0.15 -0.82 -4.72 113.70 114.31 2nup s SER 758 Ca 0.09 -0.43 -0.25 0.00 0.70 0.00 0.00 55.95 56.06 2nup s SER 758 Cb -0.14 -0.85 -0.03 0.00 -1.71 0.00 0.00 66.02 63.29 2nup s SER 758 CO 0.06 0.17 0.77 -0.63 1.20 0.00 0.00 173.24 174.81 2nup s ILE 759 N 0.11 5.00 -0.00 6.45 1.01 -1.26 -1.69 121.20 130.82 2nup s ILE 759 Ca -0.08 1.60 0.02 0.00 0.00 0.00 0.00 60.65 62.19 2nup s ILE 759 Cb -0.14 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.19 2nup s ILE 759 CO 0.04 0.23 0.03 0.00 0.00 0.00 0.00 174.94 175.24 2nup n HIS 760 N 3.83 0.00 -4.06 3.97 1.44 0.91 -4.98 115.22 116.33 2nup n HIS 760 Ca 0.01 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.56 2nup n HIS 760 Cb 0.51 -0.04 -0.15 0.00 0.12 0.00 0.00 29.99 30.44 2nup n HIS 760 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2nup s THR 761 N -2.11 0.30 0.03 0.61 2.01 -1.17 -5.01 115.64 110.30 2nup s THR 761 Ca -0.01 -0.11 0.04 0.00 0.31 0.00 0.00 61.69 61.92 2nup s THR 761 Cb 0.01 -0.29 -0.04 0.00 0.01 0.00 0.00 72.50 72.20 2nup s THR 761 CO 0.07 0.11 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.68 2nup s PHE 762 N 0.20 2.87 -0.10 4.92 0.40 -1.26 -1.29 117.98 123.72 2nup s PHE 762 Ca -0.02 -0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.25 2nup s PHE 762 Cb -0.05 -1.57 0.02 0.00 0.51 0.00 0.00 43.02 41.93 2nup s PHE 762 CO -0.00 0.39 -0.09 -1.01 0.70 0.00 0.00 175.22 175.20 2nup s HIS 763 N -1.05 1.53 -5.00 0.36 3.76 0.12 -4.99 115.29 110.01 2nup s HIS 763 Ca 0.18 -0.72 0.00 0.00 -0.15 0.00 0.00 55.06 54.37 2nup s HIS 763 Cb -0.11 -1.21 0.00 0.00 1.11 0.00 0.00 32.58 32.36 2nup s HIS 763 CO 0.09 -0.46 0.00 0.41 -0.85 0.00 0.00 174.74 173.93 2nup n GLY 764 N 4.61 -0.40 3.47 -2.22 0.00 -1.23 -1.22 105.19 108.21 2nup n GLY 764 Ca -0.16 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 2nup n GLY 764 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2nup s ASN 765 N -0.04 6.26 -0.06 1.61 -0.87 -1.26 -4.93 114.94 115.64 2nup s ASN 765 Ca 0.00 -0.72 -0.20 0.00 -1.57 0.00 0.00 52.86 50.37 2nup s ASN 765 Cb 0.00 -2.33 0.07 0.00 -0.02 0.00 0.00 41.25 38.97 2nup s ASN 765 CO 0.00 -0.97 0.90 2.22 -2.57 0.00 0.00 177.10 176.68 2nup n PHE 766 N 6.51 -0.01 -3.95 2.20 1.16 -0.58 -3.84 117.46 118.95 2nup n PHE 766 Ca -0.04 -0.33 -0.28 0.00 -1.87 0.00 0.00 57.45 54.93 2nup n PHE 766 Cb 0.46 0.14 -0.17 0.00 -1.61 0.00 0.00 39.48 38.30 2nup n PHE 766 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 2nup s PHE 767 N -2.01 1.80 -0.53 2.97 5.36 -0.91 -4.41 117.98 120.25 2nup s PHE 767 Ca 0.22 -1.00 -0.26 0.00 -0.96 0.00 0.00 56.93 54.93 2nup s PHE 767 Cb -0.00 -1.39 0.04 0.00 -0.34 0.00 0.00 43.02 41.33 2nup s PHE 767 CO -0.02 -0.59 1.00 0.08 -1.46 0.00 0.00 175.22 174.23 2nup s VAL 768 N 1.61 4.32 0.00 3.12 1.01 -1.26 -0.14 120.40 129.06 2nup s VAL 768 Ca 0.04 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.58 2nup s VAL 768 Cb -0.13 -4.56 0.00 0.00 0.00 0.00 0.00 36.38 31.69 2nup s VAL 768 CO -0.09 -1.09 0.00 0.54 0.00 0.00 0.00 175.10 174.46 2nup n ARG 769 N 7.62 0.00 -3.31 2.72 5.12 -0.95 -4.86 116.66 123.01 2nup n ARG 769 Ca 0.05 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.60 2nup n ARG 769 Cb 0.48 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.72 2nup n ARG 769 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2nup s SER 770 N -1.45 6.92 0.05 0.55 0.15 -1.26 -4.94 113.70 113.71 2nup s SER 770 Ca 0.00 1.17 -0.16 0.00 0.70 0.00 0.00 55.95 57.66 2nup s SER 770 Cb 0.00 -2.32 -0.09 0.00 -1.71 0.00 0.00 66.02 61.90 2nup s SER 770 CO 0.00 0.15 0.38 0.41 1.20 0.00 0.00 173.24 175.39 2nup n THR 771 N 1.09 0.46 -2.82 6.45 -1.04 -1.26 -3.12 114.28 114.04 2nup n THR 771 Ca -0.07 -0.11 -0.02 0.00 -2.04 0.00 0.00 64.05 61.81 2nup n THR 771 Cb 0.51 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.01 2nup n THR 771 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2nup n ASP 772 N 0.83 -5.43 0.00 8.00 8.00 -1.26 -4.99 116.55 121.70 2nup n ASP 772 Ca 0.09 1.17 0.00 0.00 0.71 0.00 0.00 54.79 56.76 2nup n ASP 772 Cb 0.08 -4.15 0.00 0.00 -0.02 0.00 0.00 41.12 37.03 2nup n ASP 772 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2nup n LEU 773 N 1.36 0.00 -4.70 0.64 7.94 -1.18 -4.86 117.00 116.21 2nup n LEU 773 Ca -0.13 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.36 2nup n LEU 773 Cb 0.29 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.20 2nup n LEU 773 CO 0.30 0.00 0.61 -0.76 -1.11 0.00 0.00 177.39 176.43 2nup s LEU 774 N 0.00 4.28 -0.10 -1.96 1.43 0.28 -2.24 118.68 120.36 2nup s LEU 774 Ca 0.00 1.38 -0.22 0.00 -1.03 0.00 0.00 54.13 54.26 2nup s LEU 774 Cb 0.00 -3.35 -0.03 0.00 0.03 0.00 0.00 46.19 42.83 2nup s LEU 774 CO 0.00 -0.30 0.64 -0.55 0.23 0.00 0.00 176.35 176.37 2nup s SER 775 N 1.01 6.87 -0.47 2.29 0.15 0.80 -0.92 113.70 123.44 2nup s SER 775 Ca 0.44 1.05 0.03 0.00 0.70 0.00 0.00 55.95 58.16 2nup s SER 775 Cb -0.18 -2.38 0.15 0.00 -1.71 0.00 0.00 66.02 61.90 2nup s SER 775 CO 0.19 -0.13 0.30 -0.76 1.20 0.00 0.00 173.24 174.04 2nup s LEU 776 N 0.99 2.66 0.60 3.45 1.43 -0.09 -2.14 118.68 125.59 2nup s LEU 776 Ca 0.34 -2.88 0.29 0.00 -1.03 0.00 0.00 54.13 50.84 2nup s LEU 776 Cb -0.17 -0.97 1.29 0.00 0.03 0.00 0.00 46.19 46.37 2nup s LEU 776 CO 0.15 -0.22 1.67 -0.65 0.23 0.00 0.00 176.35 177.53 2nup h PRO 777 N 6.32 0.00 -3.49 1.29 0.11 -1.76 -2.20 132.00 132.27 2nup h PRO 777 Ca 0.07 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.08 2nup h PRO 777 Cb 0.90 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 31.84 2nup h PRO 777 CO 0.48 0.00 -0.35 -0.80 -0.21 0.00 0.00 178.00 177.12 2nup s ASN 778 N -4.52 -0.01 -0.18 -2.05 0.01 -1.26 -2.59 114.94 104.33 2nup s ASN 778 Ca -0.04 -0.32 -0.03 0.00 -0.71 0.00 0.00 52.86 51.76 2nup s ASN 778 Cb 0.15 0.31 0.06 0.00 0.41 0.00 0.00 41.25 42.18 2nup s ASN 778 CO 0.52 -0.58 0.05 0.54 -1.51 0.00 0.00 177.10 176.12 2nup s VAL 779 N -2.59 0.38 0.11 1.60 0.11 -0.89 -4.87 120.40 114.24 2nup s VAL 779 Ca -0.05 -0.44 0.03 0.00 -2.93 0.00 0.00 61.98 58.59 2nup s VAL 779 Cb -0.01 -0.91 -0.04 0.00 -1.53 0.00 0.00 36.38 33.90 2nup s VAL 779 CO -0.04 -0.20 0.16 0.54 -3.33 0.00 0.00 175.10 172.23 2nup s ASN 780 N 1.92 5.87 0.00 3.54 4.22 -1.26 -2.41 114.94 126.83 2nup s ASN 780 Ca -0.00 0.06 0.13 0.00 -2.14 0.00 0.00 52.86 50.91 2nup s ASN 780 Cb -0.17 -1.67 0.77 0.00 1.28 0.00 0.00 41.25 41.47 2nup s ASN 780 CO -0.08 0.12 1.21 -0.81 -2.04 0.00 0.00 177.10 175.51 2nup n PRO 781 N 0.02 0.57 -0.07 3.55 -0.04 -1.26 -2.89 135.00 134.88 2nup n PRO 781 Ca -0.07 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.41 2nup n PRO 781 Cb 0.53 -1.35 0.06 0.00 -0.04 0.00 0.00 33.50 32.69 2nup n PRO 781 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2nup n ASP 782 N -0.85 2.37 -4.85 3.54 8.00 -1.26 -4.29 116.55 119.20 2nup n ASP 782 Ca 0.10 -2.01 -0.35 0.00 0.71 0.00 0.00 54.79 53.23 2nup n ASP 782 Cb 0.04 -0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 40.99 2nup n ASP 782 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nup s ALA 783 N -1.02 3.62 0.13 2.24 0.00 -1.14 -4.55 121.76 121.04 2nup s ALA 783 Ca 0.09 -0.19 0.10 0.00 0.00 0.00 0.00 51.96 51.96 2nup s ALA 783 Cb 0.05 -2.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 2nup s ALA 783 CO 0.06 0.48 -0.24 0.20 0.00 0.00 0.00 175.76 176.26 2nup s GLY 784 N -1.67 1.45 0.07 0.00 0.00 0.36 -4.67 107.32 102.86 2nup s GLY 784 Ca 0.36 -1.40 0.02 0.00 0.00 0.00 0.00 44.72 43.69 2nup s GLY 784 CO 0.19 -1.40 -0.07 -0.19 0.00 0.00 0.00 173.10 171.63 2nup s TYR 785 N -1.21 0.78 0.01 1.90 1.51 -0.06 -4.51 117.35 115.76 2nup s TYR 785 Ca 0.12 -0.73 -0.02 0.00 -1.01 0.00 0.00 57.07 55.43 2nup s TYR 785 Cb -0.10 -0.46 -0.01 0.00 -0.11 0.00 0.00 41.96 41.28 2nup s TYR 785 CO 0.06 -0.12 0.02 0.00 -1.11 0.00 0.00 175.55 174.39 2nup s ALA 786 N -2.60 -0.01 0.04 3.71 0.00 -0.35 -0.37 121.76 122.19 2nup s ALA 786 Ca 0.02 -0.34 0.03 0.00 0.00 0.00 0.00 51.96 51.67 2nup s ALA 786 Cb -0.02 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 2nup s ALA 786 CO -0.02 -0.13 -0.09 0.08 0.00 0.00 0.00 175.76 175.60 2nup s VAL 787 N -1.07 0.64 -0.13 0.00 1.01 0.13 0.14 120.40 121.11 2nup s VAL 787 Ca -0.12 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 60.83 2nup s VAL 787 Cb -0.07 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 2nup s VAL 787 CO -0.00 -0.29 -0.13 -1.58 0.00 0.00 0.00 175.10 173.09 2nup s GLN 788 N -1.45 3.34 0.33 2.72 0.74 -0.41 -0.94 119.66 123.99 2nup s GLN 788 Ca -0.07 -0.69 0.04 0.00 0.05 0.00 0.00 55.36 54.69 2nup s GLN 788 Cb -0.09 -2.61 -0.06 0.00 1.10 0.00 0.00 33.01 31.34 2nup s GLN 788 CO 0.01 0.23 0.04 0.00 -0.55 0.00 0.00 175.29 175.02 2nup s MET 789 N 0.30 1.66 0.10 1.67 0.23 0.24 -0.07 119.30 123.43 2nup s MET 789 Ca -0.10 -1.91 -0.14 0.00 -1.03 0.00 0.00 55.69 52.51 2nup s MET 789 Cb -0.16 -0.95 0.02 0.00 -1.53 0.00 0.00 34.83 32.22 2nup s MET 789 CO 0.06 -0.15 0.32 -1.54 -2.03 0.00 0.00 175.02 171.68 2nup s SER 790 N -3.50 -0.11 -0.69 -1.18 1.04 -0.68 -4.45 113.70 104.13 2nup s SER 790 Ca 0.36 -0.38 -0.24 0.00 0.48 0.00 0.00 55.95 56.16 2nup s SER 790 Cb 0.08 0.41 0.06 0.00 0.10 0.00 0.00 66.02 66.67 2nup s SER 790 CO 0.15 -0.77 1.07 -0.69 0.98 0.00 0.00 173.24 173.98 2nup s VAL 791 N -3.58 4.11 0.17 5.02 1.01 -1.26 -1.95 120.40 123.92 2nup s VAL 791 Ca 0.02 -0.08 0.10 0.00 0.00 0.00 0.00 61.98 62.02 2nup s VAL 791 Cb 0.02 -4.77 -0.08 0.00 0.00 0.00 0.00 36.38 31.55 2nup s VAL 791 CO -0.10 -1.60 1.47 -0.08 0.00 0.00 0.00 175.10 174.80 2nup h GLU 792 N 9.73 0.00 -3.51 2.72 4.81 -0.98 -3.39 114.58 123.97 2nup h GLU 792 Ca -0.28 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.59 2nup h GLU 792 Cb 1.06 0.00 -0.36 0.00 0.63 0.00 0.00 28.75 30.08 2nup h GLU 792 CO 1.22 0.75 -0.74 -1.21 -0.73 0.00 0.00 179.01 178.29 2nup s GLU 793 N -3.20 0.10 0.18 1.92 2.02 -0.98 -5.03 118.70 113.70 2nup s GLU 793 Ca 0.00 0.23 -0.33 0.00 0.02 0.00 0.00 54.97 54.89 2nup s GLU 793 Cb 0.11 -0.49 -0.16 0.00 0.10 0.00 0.00 34.13 33.70 2nup s GLU 793 CO 0.78 -0.24 1.18 0.43 0.02 0.00 0.00 175.26 177.43 2nup n SER 794 N 4.72 1.44 -2.27 -0.19 7.64 -1.26 -4.57 113.62 119.13 2nup n SER 794 Ca -0.16 1.14 -0.21 0.00 1.01 0.00 0.00 58.87 60.66 2nup n SER 794 Cb 0.50 -1.23 -0.08 0.00 -1.01 0.00 0.00 64.21 62.39 2nup n SER 794 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2nup n LEU 795 N 2.02 6.08 -0.08 -3.43 4.77 0.15 -4.50 117.00 122.02 2nup n LEU 795 Ca 0.15 -3.69 -0.14 0.00 -0.03 0.00 0.00 56.01 52.30 2nup n LEU 795 Cb 0.25 -1.27 -0.05 0.00 -2.33 0.00 0.00 43.42 40.03 2nup n LEU 795 CO 0.61 1.65 0.52 0.71 -1.33 0.00 0.00 177.39 179.56 2nup h THR 796 N 1.88 1.30 0.00 -5.08 1.35 -1.89 -3.34 112.91 107.13 2nup h THR 796 Ca 0.31 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 2nup h THR 796 Cb 0.97 1.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 2nup h THR 796 CO 0.65 0.49 0.00 0.47 -0.25 0.00 0.00 175.52 176.89 2nup n ASP 797 N -4.22 0.00 -4.78 5.36 9.92 -1.26 -4.82 116.55 116.76 2nup n ASP 797 Ca -0.04 0.71 -0.30 0.00 -0.53 0.00 0.00 54.79 54.62 2nup n ASP 797 Cb 0.51 -0.21 0.10 0.00 -0.64 0.00 0.00 41.12 40.88 2nup n ASP 797 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2nup s THR 798 N -1.83 3.09 0.00 -3.53 -4.23 -1.26 -4.98 115.64 102.90 2nup s THR 798 Ca 0.00 0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 2nup s THR 798 Cb 0.00 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.84 2nup s THR 798 CO 0.00 -0.46 0.40 0.00 -0.54 0.00 0.00 174.62 174.02 2nup n GLN 799 N -3.53 -0.03 -3.83 3.99 10.64 -1.26 -4.89 117.38 118.46 2nup n GLN 799 Ca 0.07 -0.47 -0.12 0.00 -1.83 0.00 0.00 57.00 54.65 2nup n GLN 799 Cb 0.55 -0.78 -0.11 0.00 -0.86 0.00 0.00 30.24 29.04 2nup n GLN 799 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2nup s LEU 800 N -0.13 1.40 0.02 2.61 1.43 -1.26 -1.52 118.68 121.23 2nup s LEU 800 Ca 0.00 0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 2nup s LEU 800 Cb 0.00 0.64 -0.02 0.00 0.03 0.00 0.00 46.19 46.84 2nup s LEU 800 CO 0.00 -0.18 -0.02 0.68 0.23 0.00 0.00 176.35 177.06 2nup s VAL 801 N -0.47 0.12 0.20 -1.59 -7.23 -0.39 -4.94 120.40 106.10 2nup s VAL 801 Ca -0.06 -1.00 0.05 0.00 -1.81 0.00 0.00 61.98 59.16 2nup s VAL 801 Cb -0.04 -0.42 -0.05 0.00 0.56 0.00 0.00 36.38 36.44 2nup s VAL 801 CO 0.01 -0.55 -0.08 -0.44 -0.31 0.00 0.00 175.10 173.73 2nup s SER 802 N -1.63 2.08 -0.04 4.85 0.01 -1.26 -0.78 113.70 116.94 2nup s SER 802 Ca -0.13 -1.10 0.01 0.00 1.31 0.00 0.00 55.95 56.04 2nup s SER 802 Cb -0.08 -0.05 0.02 0.00 0.21 0.00 0.00 66.02 66.12 2nup s SER 802 CO -0.02 -0.35 -0.06 -0.36 0.41 0.00 0.00 173.24 172.86 2nup s PHE 803 N -3.24 0.81 -0.08 2.43 0.08 0.24 -2.42 117.98 115.80 2nup s PHE 803 Ca 0.23 -0.22 -0.01 0.00 0.12 0.00 0.00 56.93 57.05 2nup s PHE 803 Cb 0.03 -0.66 0.03 0.00 -0.57 0.00 0.00 43.02 41.84 2nup s PHE 803 CO 0.06 -0.16 -0.03 -1.14 -0.10 0.00 0.00 175.22 173.85 2nup s GLN 804 N 0.67 0.88 -0.02 0.44 0.74 -0.53 0.10 119.66 121.95 2nup s GLN 804 Ca -0.10 -0.02 -0.00 0.00 0.05 0.00 0.00 55.36 55.29 2nup s GLN 804 Cb -0.13 -1.10 -0.04 0.00 1.10 0.00 0.00 33.01 32.85 2nup s GLN 804 CO 0.01 -0.25 0.06 -1.54 -0.55 0.00 0.00 175.29 173.02 2nup s SER 805 N 1.69 5.54 -0.07 6.67 1.04 -0.75 -0.36 113.70 127.46 2nup s SER 805 Ca 0.02 0.13 0.01 0.00 0.48 0.00 0.00 55.95 56.58 2nup s SER 805 Cb -0.13 -1.57 0.02 0.00 0.10 0.00 0.00 66.02 64.45 2nup s SER 805 CO -0.05 0.29 -0.08 0.00 0.98 0.00 0.00 173.24 174.39 2nup s ALA 806 N -1.13 1.06 -0.34 5.32 0.00 -0.49 -2.04 121.76 124.14 2nup s ALA 806 Ca 0.21 -0.32 -0.07 0.00 0.00 0.00 0.00 51.96 51.78 2nup s ALA 806 Cb -0.12 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.40 2nup s ALA 806 CO 0.11 -0.12 0.11 -1.17 0.00 0.00 0.00 175.76 174.70 2nup s LEU 807 N 1.13 4.29 -0.34 0.00 1.98 0.14 -2.42 118.68 123.46 2nup s LEU 807 Ca -0.07 -1.07 -0.12 0.00 -2.89 0.00 0.00 54.13 49.98 2nup s LEU 807 Cb -0.14 -1.88 -0.01 0.00 0.66 0.00 0.00 46.19 44.82 2nup s LEU 807 CO -0.01 -0.31 0.22 -0.22 -1.89 0.00 0.00 176.35 174.14 2nup s LEU 808 N 1.43 4.49 0.31 -0.68 2.96 0.15 -0.49 118.68 126.85 2nup s LEU 808 Ca -0.01 -0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 53.35 2nup s LEU 808 Cb -0.19 -2.10 -0.00 0.00 0.50 0.00 0.00 46.19 44.39 2nup s LEU 808 CO 0.03 -0.25 0.43 -0.72 -1.32 0.00 0.00 176.35 174.51 2nup s TYR 809 N 1.68 1.01 -0.14 5.38 -0.85 -0.22 -0.96 117.35 123.25 2nup s TYR 809 Ca 0.05 -1.24 -0.02 0.00 -0.52 0.00 0.00 57.07 55.34 2nup s TYR 809 Cb -0.18 -0.13 -0.02 0.00 0.38 0.00 0.00 41.96 42.01 2nup s TYR 809 CO 0.09 -1.05 -0.08 0.99 -1.52 0.00 0.00 175.55 173.99 2nup s THR 810 N -3.34 3.53 0.76 -3.49 2.01 -0.12 -0.80 115.64 114.19 2nup s THR 810 Ca 0.31 -0.49 -0.12 0.00 0.31 0.00 0.00 61.69 61.70 2nup s THR 810 Cb 0.00 -2.52 0.05 0.00 0.01 0.00 0.00 72.50 70.04 2nup s THR 810 CO 0.18 0.51 1.13 -0.94 -0.69 0.00 0.00 174.62 174.81 2nup s SER 811 N 0.32 4.95 0.33 3.53 1.04 -0.76 0.71 113.70 123.81 2nup s SER 811 Ca -0.07 1.00 0.25 0.00 0.48 0.00 0.00 55.95 57.61 2nup s SER 811 Cb -0.15 -1.66 1.15 0.00 0.10 0.00 0.00 66.02 65.46 2nup s SER 811 CO 0.04 -1.65 1.76 0.77 0.98 0.00 0.00 173.24 175.14 2nup h SER 812 N -0.87 0.00 -0.56 7.02 4.64 -1.92 -1.51 113.55 120.35 2nup h SER 812 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2nup h SER 812 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2nup h SER 812 CO 0.64 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.89 2nup n LYS 813 N -2.38 4.48 -2.71 4.77 4.76 -1.26 -3.11 118.16 122.71 2nup n LYS 813 Ca 0.01 -3.08 -0.16 0.00 -2.87 0.00 0.00 58.31 52.21 2nup n LYS 813 Cb 0.17 -2.15 0.02 0.00 -1.84 0.00 0.00 35.03 31.23 2nup n LYS 813 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2nup n GLY 814 N 0.60 -0.19 3.15 0.72 0.00 -0.57 -4.98 105.19 103.91 2nup n GLY 814 Ca 0.27 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 2nup n GLY 814 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nup s GLU 815 N -5.26 2.80 -0.11 1.61 2.02 -1.26 -4.77 118.70 113.73 2nup s GLU 815 Ca 0.18 -0.78 -0.30 0.00 0.02 0.00 0.00 54.97 54.10 2nup s GLU 815 Cb -0.08 -2.25 -0.03 0.00 0.10 0.00 0.00 34.13 31.87 2nup s GLU 815 CO 0.22 0.01 1.27 1.03 0.02 0.00 0.00 175.26 177.82 2nup s ARG 816 N 0.76 4.27 0.12 1.61 1.81 -1.26 -1.83 118.95 124.43 2nup s ARG 816 Ca -0.09 1.72 0.04 0.00 -1.72 0.00 0.00 55.73 55.67 2nup s ARG 816 Cb -0.16 -3.69 -0.04 0.00 -0.45 0.00 0.00 34.95 30.61 2nup s ARG 816 CO 0.00 -0.62 -0.10 1.03 -0.68 0.00 0.00 175.30 174.94 2nup s ARG 817 N 3.01 0.97 -0.14 3.54 0.52 0.02 -1.21 118.95 125.67 2nup s ARG 817 Ca 0.57 -1.35 0.00 0.00 -0.52 0.00 0.00 55.73 54.43 2nup s ARG 817 Cb -0.24 -0.54 0.02 0.00 0.52 0.00 0.00 34.95 34.72 2nup s ARG 817 CO 0.19 0.06 -0.13 0.42 0.02 0.00 0.00 175.30 175.86 2nup s ILE 818 N -3.12 1.43 -0.21 1.52 1.01 -0.50 -1.06 121.20 120.28 2nup s ILE 818 Ca 0.13 -0.55 -0.07 0.00 0.00 0.00 0.00 60.65 60.16 2nup s ILE 818 Cb 0.01 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.08 2nup s ILE 818 CO -0.00 0.44 0.06 -0.60 0.00 0.00 0.00 174.94 174.83 2nup s ARG 819 N 1.50 3.84 -0.05 2.79 3.52 0.36 0.66 118.95 131.57 2nup s ARG 819 Ca 0.04 -0.40 0.04 0.00 -0.13 0.00 0.00 55.73 55.28 2nup s ARG 819 Cb -0.13 -3.24 -0.00 0.00 -1.56 0.00 0.00 34.95 30.01 2nup s ARG 819 CO -0.09 0.10 -0.19 0.08 -0.81 0.00 0.00 175.30 174.39 2nup s VAL 820 N 0.84 1.60 0.06 7.11 1.01 -0.29 0.25 120.40 130.97 2nup s VAL 820 Ca 0.03 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.30 2nup s VAL 820 Cb -0.14 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 2nup s VAL 820 CO 0.02 0.46 -0.24 -1.00 0.00 0.00 0.00 175.10 174.34 2nup s HIS 821 N 0.08 2.06 -0.02 5.22 3.76 -0.87 -1.90 115.29 123.63 2nup s HIS 821 Ca -0.06 -0.39 0.01 0.00 -0.15 0.00 0.00 55.06 54.46 2nup s HIS 821 Cb -0.13 -1.21 0.01 0.00 1.11 0.00 0.00 32.58 32.36 2nup s HIS 821 CO 0.03 0.14 -0.03 0.99 -0.85 0.00 0.00 174.74 175.02 2nup s THR 822 N -0.85 0.32 -0.12 1.30 2.01 -0.70 -1.81 115.64 115.80 2nup s THR 822 Ca 0.10 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.05 2nup s THR 822 Cb -0.09 -0.34 0.01 0.00 0.01 0.00 0.00 72.50 72.09 2nup s THR 822 CO 0.02 0.14 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.66 2nup s LEU 823 N 0.48 2.01 -0.11 4.42 2.96 0.29 -3.49 118.68 125.24 2nup s LEU 823 Ca -0.05 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.34 2nup s LEU 823 Cb -0.08 -1.33 -0.01 0.00 0.50 0.00 0.00 46.19 45.27 2nup s LEU 823 CO -0.01 0.09 -0.19 0.00 -1.32 0.00 0.00 176.35 174.93 2nup s LEU 825 N 0.27 2.39 0.35 0.00 1.43 0.04 -4.99 118.68 118.18 2nup s LEU 825 Ca -0.14 -1.05 -0.05 0.00 -1.03 0.00 0.00 54.13 51.86 2nup s LEU 825 Cb -0.17 -0.07 -0.05 0.00 0.03 0.00 0.00 46.19 45.94 2nup s LEU 825 CO 0.07 -0.49 0.64 -2.16 0.23 0.00 0.00 176.35 174.64 2nup s PRO 826 N -3.86 3.63 -0.03 1.29 0.04 -1.25 -1.26 135.00 133.56 2nup s PRO 826 Ca 0.15 0.09 -0.01 0.00 0.04 0.00 0.00 61.00 61.27 2nup s PRO 826 Cb 0.05 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 2nup s PRO 826 CO -0.02 0.08 0.05 0.08 0.04 0.00 0.00 177.00 177.23 2nup s VAL 827 N -2.29 4.56 0.17 -0.36 1.01 -0.57 -1.90 120.40 121.01 2nup s VAL 827 Ca 0.45 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.08 2nup s VAL 827 Cb -0.10 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 2nup s VAL 827 CO 0.34 0.43 0.00 0.68 0.00 0.00 0.00 175.10 176.55 2nup s VAL 828 N -1.09 0.64 -0.03 2.92 -7.23 -0.68 -4.92 120.40 110.00 2nup s VAL 828 Ca 0.19 -1.97 0.05 0.00 -1.81 0.00 0.00 61.98 58.44 2nup s VAL 828 Cb -0.12 -2.10 0.08 0.00 0.56 0.00 0.00 36.38 34.80 2nup s VAL 828 CO 0.10 -0.49 0.95 -1.54 -0.31 0.00 0.00 175.10 173.81 2nup n SER 829 N -0.22 1.52 -4.40 4.85 3.41 -1.26 -0.78 113.62 116.73 2nup n SER 829 Ca -0.07 -2.11 -0.33 0.00 -0.26 0.00 0.00 58.87 56.10 2nup n SER 829 Cb 0.63 -0.14 -0.14 0.00 -0.26 0.00 0.00 64.21 64.31 2nup n SER 829 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2nup s THR 830 N -1.21 3.22 0.16 6.66 2.01 -1.26 -4.99 115.64 120.22 2nup s THR 830 Ca 0.09 -0.60 -0.21 0.00 0.31 0.00 0.00 61.69 61.28 2nup s THR 830 Cb 0.07 -2.36 0.07 0.00 0.01 0.00 0.00 72.50 70.29 2nup s THR 830 CO 0.01 0.52 1.63 0.25 -0.69 0.00 0.00 174.62 176.34 2nup h LEU 831 N 6.70 -0.72 -0.94 4.42 6.46 -1.96 0.72 115.31 130.00 2nup h LEU 831 Ca -0.27 0.15 0.17 0.00 -0.12 0.00 0.00 57.88 57.81 2nup h LEU 831 Cb 1.21 0.37 -0.10 0.00 -0.73 0.00 0.00 40.66 41.40 2nup h LEU 831 CO 0.57 -0.25 0.53 -1.13 -0.62 0.00 0.00 178.44 177.54 2nup h ASN 832 N -0.18 0.67 -0.61 1.25 -0.73 -1.95 0.10 115.58 114.12 2nup h ASN 832 Ca 0.17 0.09 -0.06 0.00 1.87 0.00 0.00 56.30 58.37 2nup h ASN 832 Cb 0.44 -0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.99 2nup h ASN 832 CO -0.44 0.25 0.13 0.44 -0.37 0.00 0.00 177.43 177.45 2nup h ASP 833 N 0.70 0.94 -0.82 1.15 3.32 -1.33 0.15 116.42 120.53 2nup h ASP 833 Ca 0.53 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 57.35 2nup h ASP 833 Cb 0.78 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.04 2nup h ASP 833 CO -0.37 0.94 0.54 0.58 -1.72 0.00 0.00 179.24 179.21 2nup h VAL 834 N 0.90 1.19 -0.23 -1.35 2.07 0.33 -2.04 116.25 117.11 2nup h VAL 834 Ca 0.19 -0.37 -0.14 0.00 0.82 0.00 0.00 66.70 67.20 2nup h VAL 834 Cb 0.38 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2nup h VAL 834 CO 0.01 0.20 -0.41 -0.26 0.02 0.00 0.00 177.57 177.13 2nup h PHE 835 N 1.09 0.86 0.00 1.57 -1.00 -0.68 -3.06 116.94 115.71 2nup h PHE 835 Ca 0.31 -0.30 0.00 0.00 2.81 0.00 0.00 57.97 60.79 2nup h PHE 835 Cb -0.08 -0.16 0.00 0.00 3.61 0.00 0.00 35.95 39.32 2nup h PHE 835 CO -0.00 1.07 0.07 -0.07 -1.61 0.00 0.00 178.31 177.77 2nup h LEU 836 N 0.41 0.00 -1.59 1.54 3.38 -0.01 -1.53 115.31 117.50 2nup h LEU 836 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2nup h LEU 836 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2nup h LEU 836 CO 0.09 0.00 -0.02 0.61 0.09 0.00 0.00 178.44 179.21 2nup n GLY 837 N -1.11 0.20 3.63 0.83 0.00 -1.01 -4.92 105.19 102.81 2nup n GLY 837 Ca -0.03 -0.47 -0.47 0.00 0.00 0.00 0.00 46.02 45.05 2nup n GLY 837 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nup n ALA 838 N 0.86 0.20 -3.54 4.61 0.00 -0.58 -2.74 120.51 119.32 2nup n ALA 838 Ca 0.09 0.44 -0.40 0.00 0.00 0.00 0.00 53.44 53.57 2nup n ALA 838 Cb 0.41 -2.16 -0.09 0.00 0.00 0.00 0.00 19.45 17.61 2nup n ALA 838 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2nup s ASP 839 N 0.17 5.63 0.18 0.00 -1.08 -0.20 -4.90 116.67 116.47 2nup s ASP 839 Ca 0.71 -1.87 -0.13 0.00 -0.52 0.00 0.00 52.55 50.74 2nup s ASP 839 Cb -0.75 -1.98 0.15 0.00 -1.46 0.00 0.00 42.92 38.88 2nup s ASP 839 CO 0.50 -0.65 1.74 1.62 0.52 0.00 0.00 175.17 178.91 2nup h VAL 840 N 6.16 0.83 -0.40 1.11 3.04 -1.86 -1.45 116.25 123.68 2nup h VAL 840 Ca -0.20 -0.11 -0.03 0.00 -1.01 0.00 0.00 66.70 65.35 2nup h VAL 840 Cb 1.07 0.48 -0.02 0.00 -2.01 0.00 0.00 31.29 30.81 2nup h VAL 840 CO 0.82 0.06 0.15 1.56 -1.01 0.00 0.00 177.57 179.15 2nup h GLN 841 N 0.32 0.61 -0.47 4.17 4.20 -1.94 -1.20 115.11 120.81 2nup h GLN 841 Ca 0.23 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 58.84 2nup h GLN 841 Cb 0.24 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 2nup h GLN 841 CO -0.24 0.59 0.27 0.00 -0.67 0.00 0.00 178.83 178.78 2nup h ALA 842 N 0.99 0.60 -0.38 3.87 0.00 -1.87 0.24 119.26 122.72 2nup h ALA 842 Ca 0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2nup h ALA 842 Cb 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2nup h ALA 842 CO -0.01 -0.06 0.22 0.82 0.00 0.00 0.00 179.25 180.23 2nup h ILE 843 N 0.53 1.13 -0.35 0.00 2.04 -1.14 0.36 117.51 120.08 2nup h ILE 843 Ca 0.19 -0.32 0.07 0.00 1.00 0.00 0.00 64.86 65.80 2nup h ILE 843 Cb 0.04 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 36.72 2nup h ILE 843 CO -0.10 0.13 -0.13 0.28 0.00 0.00 0.00 178.15 178.33 2nup h SER 844 N 0.49 -0.47 0.26 1.72 0.02 -0.58 0.19 113.55 115.18 2nup h SER 844 Ca 0.13 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 2nup h SER 844 Cb 0.02 0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 2nup h SER 844 CO -0.02 -0.17 -0.15 1.23 -1.14 0.00 0.00 176.83 176.58 2nup h GLY 845 N -0.07 -0.40 1.24 -3.77 0.00 -0.56 -0.42 103.07 99.10 2nup h GLY 845 Ca 0.17 0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.71 2nup h GLY 845 CO -0.40 -0.15 0.41 -2.00 0.00 0.00 0.00 176.54 174.40 2nup h LEU 846 N -0.39 0.61 -0.44 3.11 5.85 -0.56 -1.81 115.31 121.68 2nup h LEU 846 Ca -0.03 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.58 2nup h LEU 846 Cb 0.32 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2nup h LEU 846 CO 0.04 0.42 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.34 2nup h LEU 847 N 0.71 0.88 -0.28 2.25 3.38 -0.31 -2.09 115.31 119.86 2nup h LEU 847 Ca 0.26 -0.38 0.05 0.00 0.09 0.00 0.00 57.88 57.90 2nup h LEU 847 Cb 0.13 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 2nup h LEU 847 CO -0.07 1.06 -0.02 0.00 0.09 0.00 0.00 178.44 179.50 2nup h ALA 848 N 0.85 0.22 -0.60 1.53 0.00 -0.23 0.74 119.26 121.78 2nup h ALA 848 Ca 0.11 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2nup h ALA 848 Cb 0.69 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2nup h ALA 848 CO 0.05 -0.43 0.39 -0.91 0.00 0.00 0.00 179.25 178.35 2nup h ASN 849 N 0.05 0.68 -0.61 0.00 2.35 -1.43 -0.10 115.58 116.53 2nup h ASN 849 Ca 0.13 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 2nup h ASN 849 Cb 0.18 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 2nup h ASN 849 CO -0.24 0.49 0.35 0.24 -1.65 0.00 0.00 177.43 176.62 2nup h MET 850 N 0.81 0.84 -0.82 0.81 2.86 -0.57 -2.44 114.93 116.42 2nup h MET 850 Ca 0.22 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 2nup h MET 850 Cb -0.09 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.37 2nup h MET 850 CO -0.05 0.62 0.44 0.00 1.06 0.00 0.00 176.91 178.98 2nup h ALA 851 N 1.17 1.22 -0.26 6.32 0.00 0.12 -0.37 119.26 127.46 2nup h ALA 851 Ca 0.22 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2nup h ALA 851 Cb 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2nup h ALA 851 CO -0.04 0.62 0.13 0.28 0.00 0.00 0.00 179.25 180.24 2nup h VAL 852 N 1.15 1.14 -0.75 0.00 2.07 -0.71 -1.75 116.25 117.41 2nup h VAL 852 Ca 0.29 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 2nup h VAL 852 Cb 0.05 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2nup h VAL 852 CO -0.04 0.14 0.28 0.44 0.02 0.00 0.00 177.57 178.41 2nup h ASP 853 N 0.30 1.04 -0.75 0.57 5.19 -1.12 -2.23 116.42 119.42 2nup h ASP 853 Ca 0.09 -0.16 0.07 0.00 -0.62 0.00 0.00 57.03 56.41 2nup h ASP 853 Cb 0.10 -0.27 -0.06 0.00 0.18 0.00 0.00 39.33 39.28 2nup h ASP 853 CO -0.01 0.93 0.43 -0.09 -3.12 0.00 0.00 179.24 177.38 2nup h ARG 854 N 1.09 0.75 0.86 3.56 9.65 -0.76 -0.47 114.38 129.06 2nup h ARG 854 Ca 0.25 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 59.04 2nup h ARG 854 Cb 0.23 -0.17 0.01 0.00 -1.39 0.00 0.00 29.97 28.65 2nup h ARG 854 CO -0.02 0.49 -0.41 0.77 2.80 0.00 0.00 179.97 183.60 2nup h SER 855 N 0.77 -0.98 -0.87 -3.80 0.02 -0.74 0.76 113.55 108.71 2nup h SER 855 Ca 0.34 0.03 0.17 0.00 -0.84 0.00 0.00 61.79 61.49 2nup h SER 855 Cb 0.23 0.25 -0.07 0.00 0.14 0.00 0.00 62.40 62.96 2nup h SER 855 CO -0.20 -0.67 0.57 0.24 -1.14 0.00 0.00 176.83 175.63 2nup h MET 856 N -1.21 0.50 0.19 3.45 2.86 -1.26 -2.69 114.93 116.78 2nup h MET 856 Ca -0.12 -0.03 -0.31 0.00 -2.06 0.00 0.00 59.70 57.18 2nup h MET 856 Cb 0.89 -0.11 0.02 0.00 0.06 0.00 0.00 31.60 32.46 2nup h MET 856 CO 0.19 0.33 -1.45 1.15 1.06 0.00 0.00 176.91 178.19 2nup h THR 857 N 0.52 1.17 0.00 2.22 2.02 -0.89 -3.46 112.91 114.48 2nup h THR 857 Ca 0.44 -2.57 0.00 0.00 0.77 0.00 0.00 66.41 65.06 2nup h THR 857 Cb 0.93 2.93 0.00 0.00 -1.74 0.00 0.00 68.15 70.27 2nup h THR 857 CO -0.18 0.79 0.00 0.00 0.37 0.00 0.00 175.52 176.50 2nup n ALA 858 N -2.80 0.14 -3.41 6.16 0.00 0.26 -5.07 120.51 115.79 2nup n ALA 858 Ca -0.20 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.14 2nup n ALA 858 Cb 1.02 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.44 2nup n ALA 858 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2nup s SER 859 N 0.97 0.05 0.28 0.00 1.04 -1.15 -4.87 113.70 110.02 2nup s SER 859 Ca 0.00 -0.98 -0.01 0.00 0.48 0.00 0.00 55.95 55.43 2nup s SER 859 Cb 0.00 0.68 0.41 0.00 0.10 0.00 0.00 66.02 67.22 2nup s SER 859 CO 0.00 -1.32 1.86 0.25 0.98 0.00 0.00 173.24 175.01 2nup h LEU 860 N 2.12 0.81 0.25 2.42 5.85 -1.80 -0.64 115.31 124.32 2nup h LEU 860 Ca -0.26 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 2nup h LEU 860 Cb 1.25 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2nup h LEU 860 CO 0.34 0.74 -0.12 0.28 -0.34 0.00 0.00 178.44 179.34 2nup h SER 861 N 0.87 -0.28 -0.78 1.25 0.02 -1.96 0.15 113.55 112.81 2nup h SER 861 Ca 0.20 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2nup h SER 861 Cb 0.20 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 2nup h SER 861 CO -0.01 -0.18 0.50 0.44 -1.14 0.00 0.00 176.83 176.44 2nup h ASP 862 N -0.36 0.91 0.18 3.07 3.32 -1.88 -0.02 116.42 121.64 2nup h ASP 862 Ca -0.03 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2nup h ASP 862 Cb 0.28 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.60 2nup h ASP 862 CO 0.06 0.67 -0.09 0.00 -1.72 0.00 0.00 179.24 178.16 2nup h ALA 863 N 1.49 -0.24 -0.80 3.45 0.00 -0.69 -0.91 119.26 121.56 2nup h ALA 863 Ca 0.29 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2nup h ALA 863 Cb -0.10 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2nup h ALA 863 CO -0.06 -0.58 0.53 0.00 0.00 0.00 0.00 179.25 179.13 2nup h ARG 864 N -0.34 0.97 0.05 0.00 3.08 -0.14 -2.41 114.38 115.59 2nup h ARG 864 Ca -0.02 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 2nup h ARG 864 Cb 0.27 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2nup h ARG 864 CO 0.04 0.64 -0.02 -0.44 -1.07 0.00 0.00 179.97 179.12 2nup h ASP 865 N 1.00 -0.06 -0.93 7.04 3.32 -0.82 -1.76 116.42 124.21 2nup h ASP 865 Ca 0.31 -0.42 0.17 0.00 0.02 0.00 0.00 57.03 57.12 2nup h ASP 865 Cb 0.02 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 39.50 2nup h ASP 865 CO -0.09 0.40 0.60 0.00 -1.72 0.00 0.00 179.24 178.43 2nup h ALA 866 N 0.37 1.88 0.83 3.45 0.00 -1.04 1.05 119.26 125.79 2nup h ALA 866 Ca -0.01 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2nup h ALA 866 Cb 0.47 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.18 2nup h ALA 866 CO 0.01 -0.17 -0.40 -0.07 0.00 0.00 0.00 179.25 178.63 2nup h LEU 867 N 0.65 -0.94 -1.17 0.00 3.38 -1.31 -0.91 115.31 115.01 2nup h LEU 867 Ca 0.49 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.60 2nup h LEU 867 Cb 0.88 0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 2nup h LEU 867 CO -0.24 -0.61 0.59 0.58 0.09 0.00 0.00 178.44 178.85 2nup h VAL 868 N -1.23 0.90 0.00 1.22 2.07 -0.20 -0.53 116.25 118.49 2nup h VAL 868 Ca -0.11 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 2nup h VAL 868 Cb 0.86 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2nup h VAL 868 CO 0.19 0.16 -0.24 0.78 0.02 0.00 0.00 177.57 178.47 2nup h ASN 869 N 0.85 0.00 -0.62 0.57 2.35 0.13 -2.74 115.58 116.13 2nup h ASN 869 Ca 0.45 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.15 2nup h ASN 869 Cb 0.55 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.89 2nup h ASN 869 CO -0.22 0.24 0.17 0.00 -1.65 0.00 0.00 177.43 175.97 2nup h ALA 870 N 1.76 0.81 -0.07 -0.83 0.00 0.35 0.13 119.26 121.41 2nup h ALA 870 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2nup h ALA 870 Cb 0.47 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2nup h ALA 870 CO 0.03 0.51 -0.04 0.28 0.00 0.00 0.00 179.25 180.03 2nup h VAL 871 N 0.90 1.33 0.70 0.00 2.07 -1.49 -2.83 116.25 116.92 2nup h VAL 871 Ca 0.20 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.63 2nup h VAL 871 Cb 0.32 1.87 0.01 0.00 -1.52 0.00 0.00 31.29 31.97 2nup h VAL 871 CO -0.00 0.29 -0.34 0.40 0.02 0.00 0.00 177.57 177.94 2nup h ILE 872 N -0.22 0.30 -0.01 4.57 2.04 -1.40 -1.64 117.51 121.15 2nup h ILE 872 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2nup h ILE 872 Cb 0.48 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2nup h ILE 872 CO 0.01 0.00 0.01 0.44 0.00 0.00 0.00 178.15 178.62 2nup h ASP 873 N -0.95 0.00 0.13 1.72 3.32 -0.83 0.27 116.42 120.07 2nup h ASP 873 Ca -0.10 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.68 2nup h ASP 873 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2nup h ASP 873 CO 0.16 0.00 -1.39 0.77 -1.72 0.00 0.00 179.24 177.06 2nup h SER 874 N 0.00 0.41 0.81 6.45 4.64 -1.37 -2.14 113.55 122.36 2nup h SER 874 Ca 0.01 -0.87 -0.11 0.00 -0.47 0.00 0.00 61.79 60.35 2nup h SER 874 Cb 0.03 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 2nup h SER 874 CO -0.00 1.61 -0.52 -0.07 -0.87 0.00 0.00 176.83 176.99 2nup h LEU 875 N -0.27 0.00 -0.06 5.97 3.38 -1.08 0.30 115.31 123.54 2nup h LEU 875 Ca -0.29 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.57 2nup h LEU 875 Cb 1.78 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.54 2nup h LEU 875 CO 0.08 0.52 -0.38 -1.28 0.09 0.00 0.00 178.44 177.47 2nup h SER 876 N 0.00 0.45 -0.82 -0.43 0.87 -0.58 -1.30 113.55 111.74 2nup h SER 876 Ca -0.01 -0.67 0.03 0.00 -1.23 0.00 0.00 61.79 59.92 2nup h SER 876 Cb 1.07 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.85 2nup h SER 876 CO 0.07 1.04 0.54 0.00 -0.53 0.00 0.00 176.83 177.95 2nup h ALA 877 N 0.42 1.47 0.51 6.23 0.00 -1.19 -1.13 119.26 125.57 2nup h ALA 877 Ca -0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2nup h ALA 877 Cb 1.04 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2nup h ALA 877 CO 0.08 0.46 -0.24 -0.92 0.00 0.00 0.00 179.25 178.62 2nup h TYR 878 N 1.04 -0.63 -0.56 0.00 3.20 -0.79 -3.11 116.97 116.12 2nup h TYR 878 Ca 0.32 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.24 2nup h TYR 878 Cb -0.02 0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.40 2nup h TYR 878 CO -0.00 -0.39 0.24 -0.09 -1.64 0.00 0.00 178.16 176.27 2nup h ARG 879 N -0.69 0.43 0.00 1.82 2.43 -0.68 -0.14 114.38 117.56 2nup h ARG 879 Ca -0.07 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2nup h ARG 879 Cb 0.53 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2nup h ARG 879 CO 0.11 0.29 0.04 0.43 -1.51 0.00 0.00 179.97 179.33 2nup n SER 880 N -4.95 0.00 -1.67 -3.80 7.64 -0.48 -1.64 113.62 108.73 2nup n SER 880 Ca 0.07 0.41 -0.08 0.00 1.01 0.00 0.00 58.87 60.28 2nup n SER 880 Cb 0.21 -0.41 0.08 0.00 -1.01 0.00 0.00 64.21 63.08 2nup n SER 880 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2nup n SER 881 N -1.41 2.94 0.00 6.43 2.88 -0.07 -5.10 113.62 119.29 2nup n SER 881 Ca 0.00 -3.30 0.00 0.00 -1.33 0.00 0.00 58.87 54.24 2nup n SER 881 Cb 0.04 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 2nup n SER 881 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2nup n VAL 882 N -0.67 0.00 -0.00 2.46 0.24 -0.65 -5.03 118.33 114.68 2nup n VAL 882 Ca 0.26 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.56 2nup n VAL 882 Cb 0.88 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 33.25 2nup n VAL 882 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2nup n PRO 888 N 0.00 -0.00 0.00 7.34 -0.04 -1.26 -5.07 135.00 135.97 2nup n PRO 888 Ca 0.00 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 2nup n PRO 888 Cb 0.00 -0.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 2nup n PRO 888 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nup n GLY 889 N -1.00 -1.16 3.40 0.55 0.00 -1.26 -4.97 105.19 100.75 2nup n GLY 889 Ca 0.00 -1.61 -0.45 0.00 0.00 0.00 0.00 46.02 43.96 2nup n GLY 889 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2nup s LEU 890 N 0.00 5.54 -0.07 0.99 2.96 -1.26 -5.02 118.68 121.82 2nup s LEU 890 Ca 0.00 -2.00 -0.20 0.00 -0.22 0.00 0.00 54.13 51.71 2nup s LEU 890 Cb 0.00 -2.33 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 2nup s LEU 890 CO 0.00 -0.97 0.56 -0.04 -1.32 0.00 0.00 176.35 174.58 2nup s MET 891 N 2.12 4.33 0.05 1.98 -1.94 -1.25 -1.04 119.30 123.55 2nup s MET 891 Ca 0.23 0.63 -0.07 0.00 -1.71 0.00 0.00 55.69 54.77 2nup s MET 891 Cb -0.12 -3.40 -0.01 0.00 2.01 0.00 0.00 34.83 33.32 2nup s MET 891 CO -0.04 0.23 0.15 0.14 -0.01 0.00 0.00 175.02 175.48 2nup s VAL 892 N 0.32 0.13 0.68 -6.03 -7.23 -0.54 -4.78 120.40 102.95 2nup s VAL 892 Ca 0.30 -1.10 -0.12 0.00 -1.81 0.00 0.00 61.98 59.25 2nup s VAL 892 Cb -0.17 -1.06 0.00 0.00 0.56 0.00 0.00 36.38 35.71 2nup s VAL 892 CO 0.14 -0.61 1.06 -2.16 -0.31 0.00 0.00 175.10 173.23 2nup s PRO 893 N -3.02 2.97 0.30 4.82 0.04 -1.26 -0.56 135.00 138.29 2nup s PRO 893 Ca -0.02 1.04 0.06 0.00 0.04 0.00 0.00 61.00 62.11 2nup s PRO 893 Cb 0.01 -1.99 0.75 0.00 0.04 0.00 0.00 34.50 33.31 2nup s PRO 893 CO -0.06 -1.08 1.74 0.35 0.04 0.00 0.00 177.00 177.99 2nup h PHE 894 N -0.48 0.91 0.00 0.56 3.57 -1.64 -0.25 116.94 119.61 2nup h PHE 894 Ca -0.44 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.09 2nup h PHE 894 Cb 1.21 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.70 2nup h PHE 894 CO 0.61 0.10 0.00 0.66 -2.23 0.00 0.00 178.31 177.45 2nup h SER 895 N 0.60 0.00 -0.19 0.41 4.64 -1.88 -2.96 113.55 114.16 2nup h SER 895 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 2nup h SER 895 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2nup h SER 895 CO -0.45 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.69 2nup n LEU 896 N -2.75 2.69 0.25 5.97 4.77 -0.11 -4.27 117.00 123.55 2nup n LEU 896 Ca -0.02 -2.21 0.17 0.00 -0.03 0.00 0.00 56.01 53.92 2nup n LEU 896 Cb 0.10 -0.21 0.89 0.00 -2.33 0.00 0.00 43.42 41.87 2nup n LEU 896 CO 0.18 0.65 1.00 0.08 -1.33 0.00 0.00 177.39 177.96 2nup h ARG 897 N 1.16 0.00 -0.26 3.23 0.11 -1.46 -0.39 114.38 116.77 2nup h ARG 897 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2nup h ARG 897 Cb 0.76 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.84 2nup h ARG 897 CO 0.03 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.38 2nup n LEU 898 N -2.64 3.01 -0.05 0.08 4.77 -1.26 -4.68 117.00 116.23 2nup n LEU 898 Ca -0.02 -2.30 -0.14 0.00 -0.03 0.00 0.00 56.01 53.52 2nup n LEU 898 Cb 0.06 -0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 40.78 2nup n LEU 898 CO 0.14 0.69 0.54 0.15 -1.33 0.00 0.00 177.39 177.58 2nup h PHE 899 N 1.61 0.50 -0.30 -1.77 3.57 -1.39 -2.40 116.94 116.75 2nup h PHE 899 Ca 0.00 -0.17 -0.12 0.00 3.53 0.00 0.00 57.97 61.21 2nup h PHE 899 Cb 0.89 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 2nup h PHE 899 CO 0.25 0.85 -0.29 -1.35 -2.23 0.00 0.00 178.31 175.54 2nup h PRO 900 N 0.00 0.63 -0.56 6.41 0.11 -1.83 -2.60 132.00 134.16 2nup h PRO 900 Ca 0.01 -0.27 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 2nup h PRO 900 Cb 0.80 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.87 2nup h PRO 900 CO 0.05 0.85 0.25 1.25 -0.21 0.00 0.00 178.00 180.19 2nup h LEU 901 N 0.54 0.76 -0.36 2.35 5.85 -1.85 0.16 115.31 122.77 2nup h LEU 901 Ca 0.07 -0.15 -0.19 0.00 0.84 0.00 0.00 57.88 58.44 2nup h LEU 901 Cb 0.78 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 2nup h LEU 901 CO 0.06 0.70 -0.74 -0.26 -0.34 0.00 0.00 178.44 177.87 2nup h PHE 902 N 0.77 0.66 -0.33 1.25 0.05 -1.44 -1.06 116.94 116.84 2nup h PHE 902 Ca 0.19 -0.29 -0.06 0.00 3.82 0.00 0.00 57.97 61.64 2nup h PHE 902 Cb 0.16 -0.10 -0.01 0.00 2.00 0.00 0.00 35.95 38.00 2nup h PHE 902 CO 0.00 1.06 -0.01 0.28 -0.18 0.00 0.00 178.31 179.46 2nup h VAL 903 N 0.33 1.26 -0.40 -0.55 2.07 -1.34 0.15 116.25 117.78 2nup h VAL 903 Ca -0.03 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.51 2nup h VAL 903 Cb 1.32 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 2nup h VAL 903 CO 0.13 0.32 0.23 0.25 0.02 0.00 0.00 177.57 178.53 2nup h LEU 904 N 0.39 0.37 -1.14 2.57 5.85 -0.93 0.39 115.31 122.81 2nup h LEU 904 Ca 0.09 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.86 2nup h LEU 904 Cb 0.47 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 2nup h LEU 904 CO 0.02 0.27 0.59 0.00 -0.34 0.00 0.00 178.44 178.97 2nup h ALA 905 N 1.18 1.46 -0.25 1.25 0.00 -0.86 0.48 119.26 122.53 2nup h ALA 905 Ca 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2nup h ALA 905 Cb 0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2nup h ALA 905 CO -0.08 0.44 0.10 1.25 0.00 0.00 0.00 179.25 180.96 2nup h LEU 906 N 1.09 0.34 -2.21 0.00 5.85 0.32 -0.82 115.31 119.87 2nup h LEU 906 Ca 0.37 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 2nup h LEU 906 Cb 0.07 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 2nup h LEU 906 CO -0.12 0.40 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.26 2nup h LEU 907 N 0.25 0.00 0.00 2.25 3.38 0.18 -2.39 115.31 118.98 2nup h LEU 907 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2nup h LEU 907 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2nup h LEU 907 CO -0.01 0.06 -1.02 0.29 0.09 0.00 0.00 178.44 177.85 2nup n LYS 908 N -3.76 0.23 -0.86 1.13 5.02 -0.21 -2.59 118.16 117.11 2nup n LYS 908 Ca -0.02 -0.01 -0.33 0.00 -2.02 0.00 0.00 58.31 55.93 2nup n LYS 908 Cb 0.15 -1.56 0.14 0.00 -0.02 0.00 0.00 35.03 33.74 2nup n LYS 908 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 2nup n GLN 909 N -1.85 -0.19 0.00 1.97 7.27 -0.36 -4.43 117.38 119.79 2nup n GLN 909 Ca 0.02 0.01 0.04 0.00 0.07 0.00 0.00 57.00 57.14 2nup n GLN 909 Cb 0.41 -2.22 0.21 0.00 2.41 0.00 0.00 30.24 31.05 2nup n GLN 909 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2nup n LYS 910 N -3.09 0.11 0.06 3.69 4.81 -1.26 0.02 118.16 122.49 2nup n LYS 910 Ca 0.11 0.22 -0.22 0.00 -0.87 0.00 0.00 58.31 57.55 2nup n LYS 910 Cb 0.52 -1.50 -0.15 0.00 0.02 0.00 0.00 35.03 33.92 2nup n LYS 910 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 2nup h SER 911 N 0.00 0.54 0.00 3.14 0.02 -1.87 -3.37 113.55 112.02 2nup h SER 911 Ca 0.00 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.04 2nup h SER 911 Cb 0.08 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.45 2nup h SER 911 CO 0.00 1.60 0.00 0.49 -1.14 0.00 0.00 176.83 177.78 2nup n PHE 912 N -3.89 0.00 -1.08 3.45 3.72 -1.07 -4.89 117.46 113.70 2nup n PHE 912 Ca -0.20 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.85 2nup n PHE 912 Cb 0.95 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.58 2nup n PHE 912 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2nup n GLN 913 N -0.79 0.07 0.00 -1.08 10.64 0.10 -4.88 117.38 121.44 2nup n GLN 913 Ca 0.00 0.07 0.00 0.00 -1.83 0.00 0.00 57.00 55.24 2nup n GLN 913 Cb 0.00 -1.80 0.00 0.00 -0.86 0.00 0.00 30.24 27.58 2nup n GLN 913 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 2nup n THR 914 N -2.83 0.00 -0.53 -0.39 -2.24 -1.26 -4.83 114.28 102.21 2nup n THR 914 Ca 0.08 0.00 0.43 0.00 -2.27 0.00 0.00 64.05 62.29 2nup n THR 914 Cb 0.51 -0.74 0.65 0.00 -2.10 0.00 0.00 70.33 68.66 2nup n THR 914 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nup n GLY 915 N 3.37 -0.85 3.29 3.38 0.00 -1.26 -4.66 105.19 108.47 2nup n GLY 915 Ca 0.00 0.55 -0.32 0.00 0.00 0.00 0.00 46.02 46.26 2nup n GLY 915 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2nup n THR 916 N -3.57 0.00 -0.86 2.61 -1.04 -1.26 -4.33 114.28 105.83 2nup n THR 916 Ca 0.35 -0.32 0.08 0.00 -2.04 0.00 0.00 64.05 62.12 2nup n THR 916 Cb 1.74 -0.66 0.38 0.00 -1.82 0.00 0.00 70.33 69.96 2nup n THR 916 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 2nup n ASN 917 N -2.19 5.28 -4.77 8.00 5.15 -1.26 -3.69 115.26 121.78 2nup n ASN 917 Ca 0.01 -2.84 -0.40 0.00 -0.60 0.00 0.00 54.58 50.75 2nup n ASN 917 Cb 0.61 -0.64 0.02 0.00 -0.53 0.00 0.00 39.78 39.24 2nup n ASN 917 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2nup n ALA 918 N 0.57 2.08 -2.09 5.20 0.00 -1.26 -4.87 120.51 120.14 2nup n ALA 918 Ca 0.26 0.25 -0.25 0.00 0.00 0.00 0.00 53.44 53.70 2nup n ALA 918 Cb 1.09 -2.40 0.03 0.00 0.00 0.00 0.00 19.45 18.17 2nup n ALA 918 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2nup s ARG 919 N -2.46 2.76 0.02 0.00 0.52 -1.26 -4.78 118.95 113.75 2nup s ARG 919 Ca 0.61 -0.29 -0.08 0.00 -0.52 0.00 0.00 55.73 55.46 2nup s ARG 919 Cb -0.45 -2.35 -0.03 0.00 0.52 0.00 0.00 34.95 32.64 2nup s ARG 919 CO 0.57 -0.70 1.12 -0.07 0.02 0.00 0.00 175.30 176.24 2nup h LEU 920 N -0.08 -0.35 -2.04 2.53 4.07 -1.96 -2.76 115.31 114.73 2nup h LEU 920 Ca -0.45 0.04 0.12 0.00 0.08 0.00 0.00 57.88 57.67 2nup h LEU 920 Cb 1.27 0.13 -0.02 0.00 1.08 0.00 0.00 40.66 43.12 2nup h LEU 920 CO 0.58 -0.12 0.34 0.44 -1.08 0.00 0.00 178.44 178.60 2nup h ASP 921 N -0.17 0.00 0.23 -0.43 3.32 -1.98 -1.86 116.42 115.53 2nup h ASP 921 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2nup h ASP 921 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2nup h ASP 921 CO -0.06 0.00 -0.11 -0.33 -1.72 0.00 0.00 179.24 177.02 2nup h GLU 922 N 0.00 -0.29 -0.25 3.56 5.08 -1.90 0.04 114.58 120.82 2nup h GLU 922 Ca 0.20 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.60 2nup h GLU 922 Cb 0.88 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 2nup h GLU 922 CO -0.00 -0.11 0.09 -0.09 -1.00 0.00 0.00 179.01 177.90 2nup h ARG 923 N -0.42 0.20 -0.26 2.33 2.43 -1.14 0.38 114.38 117.90 2nup h ARG 923 Ca -0.03 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2nup h ARG 923 Cb 0.32 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 2nup h ARG 923 CO 0.05 0.13 0.04 0.82 -1.51 0.00 0.00 179.97 179.50 2nup h ILE 924 N 0.20 0.86 -0.39 1.20 1.08 -1.38 -0.14 117.51 118.95 2nup h ILE 924 Ca 0.11 -0.04 -0.00 0.00 -0.39 0.00 0.00 64.86 64.53 2nup h ILE 924 Cb 0.07 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 34.52 2nup h ILE 924 CO -0.11 0.02 0.23 0.15 -0.69 0.00 0.00 178.15 177.76 2nup h PHE 925 N 0.13 0.50 -0.39 1.37 3.57 -0.61 0.21 116.94 121.73 2nup h PHE 925 Ca 0.12 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.54 2nup h PHE 925 Cb 0.13 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2nup h PHE 925 CO -0.17 0.34 -0.10 0.00 -2.23 0.00 0.00 178.31 176.15 2nup h ALA 926 N 1.72 1.11 0.00 2.41 0.00 0.42 -1.59 119.26 123.33 2nup h ALA 926 Ca 0.14 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.58 2nup h ALA 926 Cb -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2nup h ALA 926 CO -0.03 0.56 -0.88 0.52 0.00 0.00 0.00 179.25 179.42 2nup h MET 927 N 0.62 0.01 -0.57 0.00 2.86 0.38 -2.57 114.93 115.65 2nup h MET 927 Ca 0.11 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.64 2nup h MET 927 Cb 0.53 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 2nup h MET 927 CO 0.03 0.88 -0.03 0.00 1.06 0.00 0.00 176.91 178.85 2nup h GLN 929 N 0.92 0.85 -0.71 0.00 1.08 -1.28 -1.76 115.11 114.22 2nup h GLN 929 Ca 0.16 -0.38 -0.02 0.00 -1.45 0.00 0.00 58.65 56.96 2nup h GLN 929 Cb 0.59 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.96 2nup h GLN 929 CO 0.04 1.02 0.36 0.28 -0.95 0.00 0.00 178.83 179.57 2nup h VAL 930 N 0.73 1.23 0.00 -0.54 2.07 -1.25 0.12 116.25 118.61 2nup h VAL 930 Ca 0.09 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 2nup h VAL 930 Cb 0.82 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2nup h VAL 930 CO 0.07 0.26 -0.15 0.11 0.02 0.00 0.00 177.57 177.88 2nup h LYS 931 N 0.98 0.00 0.00 1.57 1.79 -1.14 -3.35 116.57 116.42 2nup h LYS 931 Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 2nup h LYS 931 Cb 0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2nup h LYS 931 CO -0.03 0.15 -1.13 -1.71 -1.08 0.00 0.00 179.45 175.64 2nup n ASN 932 N -3.25 2.69 -4.86 0.86 4.05 -0.68 -3.54 115.26 110.53 2nup n ASN 932 Ca 0.01 -0.14 -0.33 0.00 0.45 0.00 0.00 54.58 54.57 2nup n ASN 932 Cb 0.43 1.27 -0.06 0.00 1.23 0.00 0.00 39.78 42.65 2nup n ASN 932 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2nup s GLN 933 N -2.34 3.90 0.30 1.20 -0.21 0.40 0.13 119.66 123.04 2nup s GLN 933 Ca -0.02 0.43 -0.29 0.00 0.02 0.00 0.00 55.36 55.51 2nup s GLN 933 Cb 0.05 -2.67 -0.10 0.00 1.00 0.00 0.00 33.01 31.29 2nup s GLN 933 CO 0.31 0.32 1.26 -2.14 -2.12 0.00 0.00 175.29 172.91 2nup s PRO 934 N -2.63 4.43 0.11 2.91 0.02 -1.26 -4.46 135.00 134.12 2nup s PRO 934 Ca 0.47 2.09 -0.05 0.00 0.02 0.00 0.00 61.00 63.53 2nup s PRO 934 Cb -0.12 -3.12 0.16 0.00 0.02 0.00 0.00 34.50 31.44 2nup s PRO 934 CO 0.20 -0.10 0.67 -0.11 -0.33 0.00 0.00 177.00 177.32 2nup n LEU 935 N 1.20 -0.20 -0.22 -5.54 0.00 -1.26 -1.16 117.00 109.83 2nup n LEU 935 Ca 0.01 0.74 -0.00 0.00 0.00 0.00 0.00 56.01 56.76 2nup n LEU 935 Cb 0.43 -0.20 0.07 0.00 0.00 0.00 0.00 43.42 43.71 2nup n LEU 935 CO 0.58 -0.70 0.74 1.62 0.00 0.00 0.00 177.39 179.63 2nup h VAL 936 N 0.00 0.37 0.00 1.96 3.04 -1.97 -1.09 116.25 118.56 2nup h VAL 936 Ca 0.19 -0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.77 2nup h VAL 936 Cb 0.29 0.36 -0.01 0.00 -2.01 0.00 0.00 31.29 29.92 2nup h VAL 936 CO -0.44 0.00 -0.49 1.88 -1.01 0.00 0.00 177.57 177.52 2nup h TYR 937 N 0.01 0.00 0.03 3.17 0.99 -1.50 -0.52 116.97 119.14 2nup h TYR 937 Ca 0.31 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 61.04 2nup h TYR 937 Cb 0.48 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.21 2nup h TYR 937 CO -0.51 0.49 -0.01 1.25 -0.00 0.00 0.00 178.16 179.38 2nup h LEU 938 N 0.00 -0.03 -0.45 3.88 5.85 -1.17 -0.12 115.31 123.28 2nup h LEU 938 Ca -0.00 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 2nup h LEU 938 Cb 1.10 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 2nup h LEU 938 CO 0.06 0.10 0.27 0.24 -0.34 0.00 0.00 178.44 178.77 2nup h MET 939 N -0.15 0.60 -0.49 1.25 2.86 -1.12 0.96 114.93 118.84 2nup h MET 939 Ca -0.00 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2nup h MET 939 Cb 0.14 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 2nup h MET 939 CO 0.01 0.44 0.23 -0.07 1.06 0.00 0.00 176.91 178.57 2nup h LEU 940 N 0.59 0.61 0.15 1.22 -0.00 -0.93 0.23 115.31 117.18 2nup h LEU 940 Ca 0.16 -0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 57.98 2nup h LEU 940 Cb -0.02 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 40.49 2nup h LEU 940 CO -0.03 0.53 -0.07 0.74 -0.00 0.00 0.00 178.44 179.61 2nup h THR 941 N 0.69 0.77 -0.20 0.22 2.02 -0.63 -2.91 112.91 112.86 2nup h THR 941 Ca 0.17 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 66.16 2nup h THR 941 Cb 0.08 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2nup h THR 941 CO -0.02 0.22 0.13 0.74 0.37 0.00 0.00 175.52 176.95 2nup h THR 942 N -0.91 1.07 -2.86 3.16 2.02 -0.74 -3.35 112.91 111.29 2nup h THR 942 Ca -0.02 -0.16 -0.61 0.00 0.77 0.00 0.00 66.41 66.39 2nup h THR 942 Cb 0.50 0.81 -0.41 0.00 -1.74 0.00 0.00 68.15 67.32 2nup h THR 942 CO 0.03 0.07 -0.71 -2.28 0.37 0.00 0.00 175.52 173.00 2nup s HIS 943 N -6.08 2.68 0.57 3.16 5.65 0.80 -4.78 115.29 117.29 2nup s HIS 943 Ca -0.13 -2.96 -0.19 0.00 0.25 0.00 0.00 55.06 52.03 2nup s HIS 943 Cb 0.08 -2.09 -0.05 0.00 -1.18 0.00 0.00 32.58 29.33 2nup s HIS 943 CO 0.69 -0.66 1.01 -2.30 -0.65 0.00 0.00 174.74 172.84 2nup n PRO 944 N 2.38 1.03 -3.09 2.88 -0.02 -1.10 -4.49 135.00 132.59 2nup n PRO 944 Ca 0.22 0.39 -0.39 0.00 -2.02 0.00 0.00 63.50 61.70 2nup n PRO 944 Cb 0.39 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.62 2nup n PRO 944 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2nup s SER 945 N -1.15 6.93 -0.17 2.55 0.01 -0.14 -4.85 113.70 116.88 2nup s SER 945 Ca 0.74 1.12 -0.01 0.00 1.31 0.00 0.00 55.95 59.11 2nup s SER 945 Cb -0.43 -2.39 -0.00 0.00 0.21 0.00 0.00 66.02 63.41 2nup s SER 945 CO 0.48 -0.10 -0.13 -0.22 0.41 0.00 0.00 173.24 173.69 2nup s LEU 946 N 0.79 2.56 0.09 2.44 2.96 -1.26 0.10 118.68 126.37 2nup s LEU 946 Ca 0.35 -0.46 0.08 0.00 -0.22 0.00 0.00 54.13 53.88 2nup s LEU 946 Cb -0.17 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 2nup s LEU 946 CO 0.17 0.05 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.74 2nup s TYR 947 N 1.02 1.70 -0.00 5.38 2.02 0.15 -0.63 117.35 126.99 2nup s TYR 947 Ca -0.01 -0.42 -0.19 0.00 -0.37 0.00 0.00 57.07 56.08 2nup s TYR 947 Cb -0.15 -0.94 -0.05 0.00 -0.40 0.00 0.00 41.96 40.42 2nup s TYR 947 CO -0.03 0.17 0.56 0.50 -1.57 0.00 0.00 175.55 175.18 2nup s ARG 948 N -1.81 4.25 -0.00 -0.62 3.52 -1.26 -0.57 118.95 122.46 2nup s ARG 948 Ca 0.05 0.66 0.00 0.00 -0.13 0.00 0.00 55.73 56.32 2nup s ARG 948 Cb -0.10 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 2nup s ARG 948 CO 0.04 0.43 0.79 1.33 -0.81 0.00 0.00 175.30 177.07 2nup n VAL 949 N 2.56 0.58 0.39 7.11 0.24 -0.48 -4.74 118.33 123.98 2nup n VAL 949 Ca -0.08 -0.58 0.08 0.00 -2.04 0.00 0.00 64.34 61.71 2nup n VAL 949 Cb 0.51 0.70 0.22 0.00 -1.47 0.00 0.00 33.84 33.80 2nup n VAL 949 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2nup n ASP 950 N -0.30 2.72 -2.70 -1.34 5.75 -1.24 -4.25 116.55 115.20 2nup n ASP 950 Ca 0.00 -2.03 -0.04 0.00 -0.01 0.00 0.00 54.79 52.71 2nup n ASP 950 Cb 0.37 -0.34 0.11 0.00 -1.03 0.00 0.00 41.12 40.22 2nup n ASP 950 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2nup n ASN 951 N 0.93 -0.93 -4.77 -1.12 6.94 -1.26 -4.92 115.26 110.13 2nup n ASN 951 Ca 0.17 -2.31 -0.34 0.00 -0.02 0.00 0.00 54.58 52.07 2nup n ASN 951 Cb 0.44 0.52 0.03 0.00 -2.36 0.00 0.00 39.78 38.41 2nup n ASN 951 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2nup s LEU 952 N -3.70 3.54 0.00 -4.53 1.43 -1.26 -5.03 118.68 109.12 2nup s LEU 952 Ca 0.17 2.10 0.00 0.00 -1.03 0.00 0.00 54.13 55.37 2nup s LEU 952 Cb 0.42 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 42.07 2nup s LEU 952 CO -0.09 -1.50 0.00 -1.54 0.23 0.00 0.00 176.35 173.45 2nup n SER 953 N -1.96 0.00 -0.72 2.29 3.41 -1.26 -5.08 113.62 110.30 2nup n SER 953 Ca 0.11 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.80 2nup n SER 953 Cb 0.51 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.59 2nup n SER 953 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2nup n ASP 954 N 0.00 2.72 -0.48 4.04 8.00 -1.26 -4.39 116.55 125.18 2nup n ASP 954 Ca 0.00 -1.80 0.00 0.00 0.71 0.00 0.00 54.79 53.70 2nup n ASP 954 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 2nup n ASP 954 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2nup n GLU 955 N 0.84 0.71 -0.43 -1.24 4.71 -1.26 -4.79 120.64 119.18 2nup n GLU 955 Ca 0.12 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.19 2nup n GLU 955 Cb 0.43 -1.34 0.06 0.00 -1.01 0.00 0.00 31.44 29.57 2nup n GLU 955 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2nup n GLY 956 N 0.15 -1.60 2.67 0.62 0.00 -1.26 -4.43 105.19 101.34 2nup n GLY 956 Ca 0.00 -1.62 -0.38 0.00 0.00 0.00 0.00 46.02 44.03 2nup n GLY 956 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nup n ALA 957 N -3.30 6.43 -0.99 4.61 0.00 -0.10 -4.83 120.51 122.33 2nup n ALA 957 Ca -0.05 -4.04 -0.30 0.00 0.00 0.00 0.00 53.44 49.04 2nup n ALA 957 Cb 0.15 -2.23 -0.02 0.00 0.00 0.00 0.00 19.45 17.35 2nup n ALA 957 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2nup n LEU 958 N 0.29 6.63 -0.02 0.00 -0.00 -0.84 -3.31 117.00 119.75 2nup n LEU 958 Ca 0.52 -3.55 -0.02 0.00 -0.00 0.00 0.00 56.01 52.97 2nup n LEU 958 Cb 0.31 -1.30 -0.03 0.00 -0.00 0.00 0.00 43.42 42.39 2nup n LEU 958 CO 0.51 1.26 -0.62 -3.20 -0.00 0.00 0.00 177.39 175.33 2nup n ASN 959 N 3.96 4.04 -3.25 1.45 2.85 -1.26 -4.82 115.26 118.23 2nup n ASN 959 Ca 0.60 0.00 -0.22 0.00 -0.11 0.00 0.00 54.58 54.84 2nup n ASN 959 Cb 0.18 0.62 -0.05 0.00 1.24 0.00 0.00 39.78 41.76 2nup n ASN 959 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 2nup n ILE 960 N -2.13 0.21 0.00 -1.44 2.08 -1.21 -4.76 119.36 112.11 2nup n ILE 960 Ca -0.06 -0.15 0.00 0.00 0.56 0.00 0.00 62.75 63.10 2nup n ILE 960 Cb 0.61 -1.78 0.00 0.00 -0.75 0.00 0.00 39.64 37.71 2nup n ILE 960 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 2nup n SER 961 N 6.77 0.00 -0.00 4.38 3.41 -1.26 -1.18 113.62 125.74 2nup n SER 961 Ca 0.24 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.93 2nup n SER 961 Cb 0.20 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.05 2nup n SER 961 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2nup n ASP 962 N 0.35 0.96 -4.92 4.04 5.68 -1.26 -4.97 116.55 116.43 2nup n ASP 962 Ca 0.00 -0.54 -0.31 0.00 -0.50 0.00 0.00 54.79 53.44 2nup n ASP 962 Cb 0.00 1.28 -0.04 0.00 -1.14 0.00 0.00 41.12 41.22 2nup n ASP 962 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2nup s ARG 963 N -2.72 3.45 0.00 0.11 0.52 -0.32 -5.05 118.95 114.93 2nup s ARG 963 Ca 0.01 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 54.80 2nup s ARG 963 Cb 0.11 -3.03 0.00 0.00 0.52 0.00 0.00 34.95 32.55 2nup s ARG 963 CO 0.65 0.60 0.00 2.41 0.02 0.00 0.00 175.30 178.98 2nup n THR 964 N 0.26 0.00 -1.22 0.02 -1.04 -1.26 -3.95 114.28 107.09 2nup n THR 964 Ca -0.05 0.48 0.00 0.00 -2.04 0.00 0.00 64.05 62.44 2nup n THR 964 Cb 0.51 -1.48 0.00 0.00 -1.82 0.00 0.00 70.33 67.54 2nup n THR 964 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2nup n ILE 965 N -2.43 -1.79 -1.77 12.58 5.41 -1.26 -1.99 119.36 128.11 2nup n ILE 965 Ca 0.00 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.39 2nup n ILE 965 Cb 0.00 -3.18 0.06 0.00 -0.71 0.00 0.00 39.64 35.81 2nup n ILE 965 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2nup s PRO 966 N -0.16 2.62 -0.65 0.38 0.04 -1.26 -0.92 135.00 135.04 2nup s PRO 966 Ca 0.00 1.86 0.05 0.00 0.04 0.00 0.00 61.00 62.95 2nup s PRO 966 Cb 0.00 -1.88 0.18 0.00 0.04 0.00 0.00 34.50 32.84 2nup s PRO 966 CO 0.00 -1.49 0.51 1.04 0.04 0.00 0.00 177.00 177.10 2nup n GLN 967 N -2.02 1.71 -2.40 4.56 1.13 -1.26 -4.77 117.38 114.33 2nup n GLN 967 Ca 0.14 -4.33 -0.36 0.00 -1.94 0.00 0.00 57.00 50.51 2nup n GLN 967 Cb 0.49 -2.18 -0.02 0.00 0.11 0.00 0.00 30.24 28.64 2nup n GLN 967 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2nup s PRO 968 N -1.42 3.88 0.38 -1.09 0.04 -1.26 -4.81 135.00 130.72 2nup s PRO 968 Ca 0.28 1.61 -0.27 0.00 0.04 0.00 0.00 61.00 62.67 2nup s PRO 968 Cb 0.00 -2.39 -0.09 0.00 0.04 0.00 0.00 34.50 32.06 2nup s PRO 968 CO -0.15 -0.41 1.30 -1.25 0.04 0.00 0.00 177.00 176.53 2nup s PRO 969 N -2.74 4.10 0.09 0.56 0.04 -1.26 -4.96 135.00 130.84 2nup s PRO 969 Ca 0.63 2.17 -0.31 0.00 0.04 0.00 0.00 61.00 63.53 2nup s PRO 969 Cb -0.24 -2.86 -0.07 0.00 0.04 0.00 0.00 34.50 31.37 2nup s PRO 969 CO 0.30 -0.38 1.25 0.42 0.04 0.00 0.00 177.00 178.62 2nup s ILE 970 N -1.23 3.78 0.10 0.56 1.01 -0.24 -4.52 121.20 120.67 2nup s ILE 970 Ca 0.54 1.31 0.05 0.00 0.00 0.00 0.00 60.65 62.55 2nup s ILE 970 Cb -0.38 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 2nup s ILE 970 CO 0.50 0.12 0.04 -0.76 0.00 0.00 0.00 174.94 174.84 2nup s LEU 971 N 0.86 3.59 0.40 2.97 1.43 0.19 -4.41 118.68 123.71 2nup s LEU 971 Ca 0.59 -0.14 -0.24 0.00 -1.03 0.00 0.00 54.13 53.31 2nup s LEU 971 Cb -0.32 -2.28 -0.09 0.00 0.03 0.00 0.00 46.19 43.53 2nup s LEU 971 CO 0.31 0.15 1.02 -1.10 0.23 0.00 0.00 176.35 176.96 2nup s GLN 972 N -2.49 4.21 -0.97 1.70 -0.21 -1.26 -4.15 119.66 116.49 2nup s GLN 972 Ca 0.28 1.43 -0.24 0.00 0.02 0.00 0.00 55.36 56.84 2nup s GLN 972 Cb -0.11 -2.50 -0.15 0.00 1.00 0.00 0.00 33.01 31.24 2nup s GLN 972 CO 0.20 -0.09 1.93 1.28 -2.12 0.00 0.00 175.29 176.49 2nup n LEU 973 N -0.11 2.87 -3.74 2.90 4.77 -1.26 -4.82 117.00 117.61 2nup n LEU 973 Ca 0.05 -2.86 -0.13 0.00 -0.03 0.00 0.00 56.01 53.05 2nup n LEU 973 Cb 0.50 -1.48 -0.11 0.00 -2.33 0.00 0.00 43.42 40.01 2nup n LEU 973 CO 0.44 -1.78 0.03 -0.55 -1.33 0.00 0.00 177.39 174.20 2nup s SER 974 N 6.48 -0.40 0.62 -1.43 0.15 -1.26 -1.69 113.70 116.17 2nup s SER 974 Ca 0.68 0.75 0.40 0.00 0.70 0.00 0.00 55.95 58.48 2nup s SER 974 Cb 0.04 0.74 2.15 0.00 -1.71 0.00 0.00 66.02 67.24 2nup s SER 974 CO 0.16 -0.14 2.21 0.58 1.20 0.00 0.00 173.24 177.25 2nup h VAL 975 N 4.77 0.00 0.00 4.45 2.07 -1.89 0.13 116.25 125.78 2nup h VAL 975 Ca -0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2nup h VAL 975 Cb 1.18 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 2nup h VAL 975 CO 0.28 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.25 2nup n GLU 976 N -2.93 0.14 -0.02 1.57 1.02 -1.26 -1.93 120.64 117.23 2nup n GLU 976 Ca -0.03 0.19 0.06 0.00 -0.02 0.00 0.00 57.16 57.36 2nup n GLU 976 Cb 0.11 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.91 2nup n GLU 976 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2nup n LYS 977 N -1.28 0.63 0.00 3.49 4.76 0.45 -4.99 118.16 121.23 2nup n LYS 977 Ca 0.05 -0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 2nup n LYS 977 Cb 0.08 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 31.89 2nup n LYS 977 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2nup n LEU 978 N -2.11 0.00 -3.65 -0.35 4.77 -0.81 -5.08 117.00 109.76 2nup n LEU 978 Ca -0.06 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.90 2nup n LEU 978 Cb 0.49 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.51 2nup n LEU 978 CO 0.33 -0.87 0.86 -0.55 -1.33 0.00 0.00 177.39 175.83 2nup s SER 979 N -1.63 -0.29 0.00 -1.43 0.15 -1.26 -5.02 113.70 104.22 2nup s SER 979 Ca 0.00 0.50 0.20 0.00 0.70 0.00 0.00 55.95 57.35 2nup s SER 979 Cb 0.00 0.91 0.87 0.00 -1.71 0.00 0.00 66.02 66.09 2nup s SER 979 CO 0.00 -0.08 1.65 0.54 1.20 0.00 0.00 173.24 176.55 2nup n ARG 980 N 2.92 0.00 0.04 5.44 1.74 -1.26 -2.58 116.66 122.97 2nup n ARG 980 Ca -0.16 0.15 0.11 0.00 -0.77 0.00 0.00 57.85 57.19 2nup n ARG 980 Cb 0.57 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.58 2nup n ARG 980 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2nup n ASP 981 N -1.50 0.64 -1.30 0.55 8.00 -1.26 0.12 116.55 121.80 2nup n ASP 981 Ca 0.05 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.45 2nup n ASP 981 Cb 0.24 0.57 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 2nup n ASP 981 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nup n GLY 982 N 1.36 5.35 3.01 0.44 0.00 -1.06 -3.03 105.19 111.27 2nup n GLY 982 Ca 0.02 -2.12 -0.20 0.00 0.00 0.00 0.00 46.02 43.73 2nup n GLY 982 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nup s ALA 983 N -2.00 0.81 -0.05 4.61 0.00 -1.26 -1.14 121.76 122.73 2nup s ALA 983 Ca 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.64 2nup s ALA 983 Cb 0.00 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 2nup s ALA 983 CO 0.00 0.16 -0.16 -0.06 0.00 0.00 0.00 175.76 175.70 2nup s PHE 984 N 0.01 1.64 -0.17 0.00 0.08 0.16 -1.38 117.98 118.33 2nup s PHE 984 Ca -0.00 -0.50 -0.05 0.00 0.12 0.00 0.00 56.93 56.50 2nup s PHE 984 Cb -0.06 -1.12 -0.03 0.00 -0.57 0.00 0.00 43.02 41.23 2nup s PHE 984 CO 0.00 -0.18 0.00 -1.17 -0.10 0.00 0.00 175.22 173.77 2nup s LEU 985 N 0.14 3.49 -0.19 -0.37 0.20 0.26 0.51 118.68 122.72 2nup s LEU 985 Ca -0.06 -0.04 -0.03 0.00 0.69 0.00 0.00 54.13 54.70 2nup s LEU 985 Cb -0.12 -1.86 -0.01 0.00 -0.43 0.00 0.00 46.19 43.77 2nup s LEU 985 CO 0.02 0.18 -0.07 -0.32 -0.29 0.00 0.00 176.35 175.87 2nup s MET 986 N 0.34 3.37 -0.48 1.98 -2.45 -0.35 -0.67 119.30 121.04 2nup s MET 986 Ca -0.01 -0.65 -0.19 0.00 -1.25 0.00 0.00 55.69 53.60 2nup s MET 986 Cb -0.13 -2.89 0.05 0.00 1.25 0.00 0.00 34.83 33.10 2nup s MET 986 CO 0.02 -0.09 0.57 0.34 1.05 0.00 0.00 175.02 176.91 2nup s ASP 987 N 1.16 6.23 -0.18 1.11 -1.08 0.29 -2.96 116.67 121.23 2nup s ASP 987 Ca 0.02 -0.82 0.15 0.00 -0.52 0.00 0.00 52.55 51.38 2nup s ASP 987 Cb -0.14 -2.27 0.76 0.00 -1.46 0.00 0.00 42.92 39.81 2nup s ASP 987 CO -0.02 -0.80 1.67 0.00 0.52 0.00 0.00 175.17 176.55 2nup n ALA 988 N 6.00 3.53 0.00 3.66 0.00 -0.67 -0.96 120.51 132.07 2nup n ALA 988 Ca -0.06 -1.73 0.00 0.00 0.00 0.00 0.00 53.44 51.65 2nup n ALA 988 Cb 0.46 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2nup n ALA 988 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nup n GLY 989 N 0.84 1.62 0.10 0.00 0.00 -1.26 -3.79 105.19 102.70 2nup n GLY 989 Ca 0.26 -0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.23 2nup n GLY 989 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2nup n SER 990 N 3.59 0.84 -4.01 1.61 3.41 -1.26 -4.76 113.62 113.04 2nup n SER 990 Ca 0.00 0.36 -0.14 0.00 -0.26 0.00 0.00 58.87 58.84 2nup n SER 990 Cb 0.00 0.23 -0.10 0.00 -0.26 0.00 0.00 64.21 64.09 2nup n SER 990 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2nup s VAL 991 N -3.00 0.01 -0.38 -3.33 -7.23 -1.26 -3.82 120.40 101.38 2nup s VAL 991 Ca -0.03 -2.00 0.13 0.00 -1.81 0.00 0.00 61.98 58.27 2nup s VAL 991 Cb 0.09 -2.50 0.39 0.00 0.56 0.00 0.00 36.38 34.92 2nup s VAL 991 CO 0.81 0.00 0.87 0.18 -0.31 0.00 0.00 175.10 176.65 2nup n LEU 992 N -0.35 1.86 -4.68 1.32 4.77 -0.79 -1.68 117.00 117.46 2nup n LEU 992 Ca 0.03 -4.65 -0.58 0.00 -0.03 0.00 0.00 56.01 50.78 2nup n LEU 992 Cb 0.65 0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 42.02 2nup n LEU 992 CO 0.33 2.03 1.15 0.23 -1.33 0.00 0.00 177.39 179.81 2nup n MET 993 N 0.02 0.91 -3.60 3.23 2.81 -1.16 -4.25 117.12 115.09 2nup n MET 993 Ca 0.21 0.33 -0.40 0.00 -1.81 0.00 0.00 57.70 56.03 2nup n MET 993 Cb 0.68 -1.97 -0.10 0.00 -0.71 0.00 0.00 33.22 31.13 2nup n MET 993 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 2nup s LEU 994 N 2.54 5.18 -0.07 4.03 2.96 -0.80 -1.21 118.68 131.31 2nup s LEU 994 Ca 0.96 -1.52 -0.24 0.00 -0.22 0.00 0.00 54.13 53.11 2nup s LEU 994 Cb -1.12 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 43.55 2nup s LEU 994 CO 0.63 -0.54 0.74 0.86 -1.32 0.00 0.00 176.35 176.71 2nup s TRP 995 N 1.43 3.56 0.06 5.38 -0.00 0.18 -4.25 118.94 125.30 2nup s TRP 995 Ca 0.03 1.28 0.03 0.00 -0.00 0.00 0.00 56.10 57.44 2nup s TRP 995 Cb -0.23 -2.85 -0.04 0.00 -0.00 0.00 0.00 33.47 30.35 2nup s TRP 995 CO 0.02 0.04 0.05 0.08 -0.00 0.00 0.00 176.95 177.15 2nup s VAL 996 N 0.97 4.41 0.44 5.86 1.01 -0.96 0.41 120.40 132.55 2nup s VAL 996 Ca 0.39 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 2nup s VAL 996 Cb -0.18 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 2nup s VAL 996 CO 0.18 0.19 0.73 -0.83 0.00 0.00 0.00 175.10 175.37 2nup s GLY 997 N -2.17 1.52 -0.02 4.51 0.00 -0.29 -4.29 107.32 106.57 2nup s GLY 997 Ca 0.26 -0.56 -0.24 0.00 0.00 0.00 0.00 44.72 44.18 2nup s GLY 997 CO 0.19 -0.41 1.13 1.70 0.00 0.00 0.00 173.10 175.70 2nup h LYS 998 N 0.48 -0.17 -0.97 2.90 3.64 -1.85 -2.96 116.57 117.64 2nup h LYS 998 Ca -0.47 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 2nup h LYS 998 Cb 1.21 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 2nup h LYS 998 CO 0.62 0.26 0.04 -1.71 -2.27 0.00 0.00 179.45 176.38 2nup n ASN 999 N -4.95 2.28 -4.57 4.20 5.15 0.12 -4.88 115.26 112.62 2nup n ASN 999 Ca -0.08 -2.16 -0.42 0.00 -0.60 0.00 0.00 54.58 51.32 2nup n ASN 999 Cb 0.26 -0.53 0.01 0.00 -0.53 0.00 0.00 39.78 38.98 2nup n ASN 999 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2nup s THR 1001N -1.29 2.43 0.12 0.00 -1.32 -1.17 -4.96 115.64 109.46 2nup s THR 1001Ca 0.63 0.22 -0.12 0.00 -1.21 0.00 0.00 61.69 61.22 2nup s THR 1001Cb -0.59 -2.87 -0.10 0.00 -1.51 0.00 0.00 72.50 67.44 2nup s THR 1001CO 0.57 -0.10 1.39 1.56 -2.21 0.00 0.00 174.62 175.84 2nup h GLN 1002N 0.04 0.88 -0.92 7.08 1.08 -1.96 -3.00 115.11 118.31 2nup h GLN 1002Ca -0.48 -0.57 0.12 0.00 -1.45 0.00 0.00 58.65 56.26 2nup h GLN 1002Cb 1.30 0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 28.73 2nup h GLN 1002CO 0.51 1.21 0.59 -0.97 -0.95 0.00 0.00 178.83 179.22 2nup h ASN 1003N 0.67 0.78 0.14 1.46 -1.24 -1.98 -0.94 115.58 114.46 2nup h ASN 1003Ca 0.01 0.04 -0.16 0.00 0.71 0.00 0.00 56.30 56.90 2nup h ASN 1003Cb 1.18 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 40.11 2nup h ASN 1003CO 0.13 0.42 -0.57 0.15 -1.29 0.00 0.00 177.43 176.27 2nup h PHE 1004N 0.84 0.56 0.57 0.67 3.57 -1.90 -1.80 116.94 119.45 2nup h PHE 1004Ca 0.45 -0.20 -0.03 0.00 3.53 0.00 0.00 57.97 61.72 2nup h PHE 1004Cb 0.55 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 39.19 2nup h PHE 1004CO -0.00 0.91 -0.28 -0.07 -2.23 0.00 0.00 178.31 176.64 2nup h LEU 1005N 0.34 -0.65 -0.08 0.59 3.38 -1.05 -1.35 115.31 116.48 2nup h LEU 1005Ca 0.00 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 2nup h LEU 1005Cb 1.09 0.17 0.01 0.00 0.09 0.00 0.00 40.66 42.02 2nup h LEU 1005CO 0.10 -0.31 -0.61 0.77 0.09 0.00 0.00 178.44 178.48 2nup h SER 1006N -1.02 0.68 1.39 -0.43 4.64 -0.59 0.60 113.55 118.82 2nup h SER 1006Ca -0.08 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.57 2nup h SER 1006Cb 0.65 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2nup h SER 1006CO 0.13 1.25 -0.52 1.56 -0.87 0.00 0.00 176.83 178.38 2nup h GLN 1007N 0.17 0.00 0.00 4.77 1.08 -1.47 -3.03 115.11 116.63 2nup h GLN 1007Ca -0.05 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.08 2nup h GLN 1007Cb 1.27 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.69 2nup h GLN 1007CO 0.13 0.00 -1.25 0.28 -0.95 0.00 0.00 178.83 177.04 2nup n VAL 1008N -2.75 0.25 -0.00 -0.54 0.31 -0.75 -4.00 118.33 110.85 2nup n VAL 1008Ca 0.02 -0.10 -0.01 0.00 -0.01 0.00 0.00 64.34 64.25 2nup n VAL 1008Cb 0.52 -0.66 -0.11 0.00 -0.91 0.00 0.00 33.84 32.68 2nup n VAL 1008CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2nup n LEU 1009N -2.62 0.56 -0.47 7.52 4.77 -0.59 -4.48 117.00 121.69 2nup n LEU 1009Ca -0.08 0.25 -0.01 0.00 -0.03 0.00 0.00 56.01 56.14 2nup n LEU 1009Cb 0.58 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 2nup n LEU 1009CO 0.04 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 2nup n GLY 1010N 1.46 0.67 3.34 -0.72 0.00 0.19 -4.70 105.19 105.43 2nup n GLY 1010Ca -0.14 -0.71 -0.18 0.00 0.00 0.00 0.00 46.02 45.00 2nup n GLY 1010CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nup s VAL 1011N -2.66 1.15 -0.43 1.61 1.01 -0.08 -4.93 120.40 116.06 2nup s VAL 1011Ca 0.02 -2.05 0.20 0.00 0.00 0.00 0.00 61.98 60.15 2nup s VAL 1011Cb -0.01 -2.33 -0.27 0.00 0.00 0.00 0.00 36.38 33.77 2nup s VAL 1011CO 0.02 -0.35 0.62 0.00 0.00 0.00 0.00 175.10 175.39 2nup n GLN 1012N -0.43 0.58 -3.53 2.72 1.13 -1.26 -1.50 117.38 115.09 2nup n GLN 1012Ca -0.05 -0.10 -0.14 0.00 -1.94 0.00 0.00 57.00 54.76 2nup n GLN 1012Cb 0.64 -1.45 -0.05 0.00 0.11 0.00 0.00 30.24 29.48 2nup n GLN 1012CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2nup s ASN 1013N -3.67 -0.54 0.28 1.08 2.20 -1.26 -4.89 114.94 108.14 2nup s ASN 1013Ca -0.01 0.50 -0.07 0.00 -0.94 0.00 0.00 52.86 52.35 2nup s ASN 1013Cb 0.14 0.46 0.50 0.00 -2.00 0.00 0.00 41.25 40.35 2nup s ASN 1013CO 0.82 -0.57 1.57 0.22 -2.94 0.00 0.00 177.10 176.21 2nup h TYR 1014N 2.70 -0.42 -0.84 1.54 3.20 -1.93 -0.90 116.97 120.32 2nup h TYR 1014Ca -0.25 0.08 0.23 0.00 3.14 0.00 0.00 58.73 61.94 2nup h TYR 1014Cb 1.17 0.34 -0.04 0.00 1.54 0.00 0.00 36.73 39.74 2nup h TYR 1014CO 0.33 -0.42 0.59 0.00 -1.64 0.00 0.00 178.16 177.03 2nup h ALA 1015N 1.97 2.69 -0.70 1.82 0.00 -1.96 -2.23 119.26 120.85 2nup h ALA 1015Ca 0.49 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 55.18 2nup h ALA 1015Cb 0.81 0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.52 2nup h ALA 1015CO -0.98 -0.93 0.26 -1.13 0.00 0.00 0.00 179.25 176.46 2nup n SER 1016N -4.33 4.68 -4.50 0.00 3.41 -0.34 -4.84 113.62 107.70 2nup n SER 1016Ca 0.17 -3.12 -0.42 0.00 -0.26 0.00 0.00 58.87 55.24 2nup n SER 1016Cb 0.86 -0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 2nup n SER 1016CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2nup s ILE 1017N -2.80 4.12 -0.12 -1.33 1.01 -0.84 -4.90 121.20 116.33 2nup s ILE 1017Ca 0.51 -0.35 -0.19 0.00 0.00 0.00 0.00 60.65 60.62 2nup s ILE 1017Cb 0.41 -4.83 -0.08 0.00 0.01 0.00 0.00 42.46 37.96 2nup s ILE 1017CO 0.13 -1.67 0.59 -0.81 0.00 0.00 0.00 174.94 173.17 2nup n PRO 1018N 8.27 0.00 0.00 2.79 -0.04 -1.26 -4.90 135.00 139.86 2nup n PRO 1018Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2nup n PRO 1018Cb 0.48 -0.64 0.00 0.00 -0.04 0.00 0.00 33.50 33.30 2nup n PRO 1018CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2nup n GLN 1019N 1.25 0.00 -2.38 0.54 7.27 -1.26 -3.69 117.38 119.11 2nup n GLN 1019Ca 0.11 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.76 2nup n GLN 1019Cb -0.00 -0.16 -0.02 0.00 2.41 0.00 0.00 30.24 32.47 2nup n GLN 1019CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 2nup s PRO 1020N 0.00 4.24 -0.41 3.69 0.02 -1.26 -4.30 135.00 136.97 2nup s PRO 1020Ca 0.00 1.72 -0.04 0.00 0.02 0.00 0.00 61.00 62.70 2nup s PRO 1020Cb 0.00 -3.76 0.11 0.00 0.02 0.00 0.00 34.50 30.87 2nup s PRO 1020CO 0.00 -0.69 0.22 1.41 -0.33 0.00 0.00 177.00 177.61 2nup s MET 1021N 3.39 2.13 0.63 5.54 1.75 -1.24 -4.96 119.30 126.53 2nup s MET 1021Ca 0.57 -1.77 0.42 0.00 -1.25 0.00 0.00 55.69 53.66 2nup s MET 1021Cb -0.23 -3.63 2.22 0.00 2.84 0.00 0.00 34.83 36.03 2nup s MET 1021CO 0.17 -1.07 2.28 0.00 -0.65 0.00 0.00 175.02 175.75 2nup h THR 1022N 6.32 0.00 -1.15 10.11 1.03 -1.91 -2.93 112.91 124.38 2nup h THR 1022Ca -0.15 -0.06 0.34 0.00 -0.01 0.00 0.00 66.41 66.52 2nup h THR 1022Cb 1.05 1.02 -0.18 0.00 -1.07 0.00 0.00 68.15 68.98 2nup h THR 1022CO 0.72 0.00 0.94 -0.62 -0.01 0.00 0.00 175.52 176.55 2nup s ASP 1023N -5.13 -0.03 0.52 0.00 -1.08 -1.21 -4.21 116.67 105.52 2nup s ASP 1023Ca -0.04 -0.02 -0.17 0.00 -0.52 0.00 0.00 52.55 51.80 2nup s ASP 1023Cb 0.12 0.05 -0.07 0.00 -1.46 0.00 0.00 42.92 41.55 2nup s ASP 1023CO 0.41 -0.08 1.00 -0.76 0.52 0.00 0.00 175.17 176.25 2nup s LEU 1024N -2.43 3.63 0.41 -1.34 1.43 -1.26 -4.96 118.68 114.15 2nup s LEU 1024Ca 0.13 1.62 -0.08 0.00 -1.03 0.00 0.00 54.13 54.77 2nup s LEU 1024Cb 0.02 -4.52 -0.05 0.00 0.03 0.00 0.00 46.19 41.67 2nup s LEU 1024CO -0.04 -0.67 0.75 -2.16 0.23 0.00 0.00 176.35 174.46 2nup s PRO 1025N -4.00 3.70 -0.79 1.29 0.04 -1.26 -5.01 135.00 128.96 2nup s PRO 1025Ca 0.60 0.33 -0.11 0.00 0.04 0.00 0.00 61.00 61.86 2nup s PRO 1025Cb -0.11 -2.42 0.21 0.00 0.04 0.00 0.00 34.50 32.22 2nup s PRO 1025CO 0.31 -0.05 0.70 -1.21 0.04 0.00 0.00 177.00 176.79 2nup s GLU 1026N -4.05 3.38 0.32 4.56 2.02 -1.26 -4.96 118.70 118.72 2nup s GLU 1026Ca 0.49 -2.50 -0.09 0.00 0.02 0.00 0.00 54.97 52.90 2nup s GLU 1026Cb -0.10 -4.27 -0.06 0.00 0.10 0.00 0.00 34.13 29.79 2nup s GLU 1026CO 0.35 -1.26 0.64 -0.51 0.02 0.00 0.00 175.26 174.50 2nup s LEU 1027N 0.08 4.00 -1.32 1.80 1.43 -1.26 -4.98 118.68 118.42 2nup s LEU 1027Ca 0.18 0.95 -0.17 0.00 -1.03 0.00 0.00 54.13 54.05 2nup s LEU 1027Cb -0.12 -3.77 0.05 0.00 0.03 0.00 0.00 46.19 42.38 2nup s LEU 1027CO -0.08 -0.24 1.85 -0.67 0.23 0.00 0.00 176.35 177.44 2nup n ASP 1028N -0.86 4.61 -3.83 2.29 -0.08 -1.26 -4.52 116.55 112.91 2nup n ASP 1028Ca 0.01 -2.89 -0.12 0.00 -1.51 0.00 0.00 54.79 50.27 2nup n ASP 1028Cb 0.54 -1.72 -0.11 0.00 2.34 0.00 0.00 41.12 42.16 2nup n ASP 1028CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2nup s THR 1029N 4.28 0.04 0.40 5.18 -4.23 -1.26 -5.03 115.64 115.02 2nup s THR 1029Ca 0.53 -0.29 0.08 0.00 -1.18 0.00 0.00 61.69 60.83 2nup s THR 1029Cb 0.06 -0.35 0.21 0.00 1.34 0.00 0.00 72.50 73.76 2nup s THR 1029CO 0.05 -0.16 1.98 1.55 -0.54 0.00 0.00 174.62 177.50 2nup h PRO 1030N 5.15 0.37 -0.20 3.99 0.13 -1.93 -1.40 132.00 138.11 2nup h PRO 1030Ca -0.28 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.79 2nup h PRO 1030Cb 1.19 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2nup h PRO 1030CO 0.40 0.36 0.08 0.93 -0.23 0.00 0.00 178.00 179.54 2nup h GLU 1031N 0.37 0.29 -0.45 0.86 3.07 -1.95 -1.25 114.58 115.52 2nup h GLU 1031Ca 0.09 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.89 2nup h GLU 1031Cb 0.17 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 2nup h GLU 1031CO -0.00 0.34 0.24 1.03 -1.40 0.00 0.00 179.01 179.22 2nup h SER 1032N 0.17 0.57 -0.87 1.42 0.87 -1.57 -1.22 113.55 112.93 2nup h SER 1032Ca 0.07 -0.10 0.09 0.00 -1.23 0.00 0.00 61.79 60.62 2nup h SER 1032Cb 0.16 -0.15 -0.06 0.00 -0.44 0.00 0.00 62.40 61.91 2nup h SER 1032CO -0.01 0.51 0.56 0.00 -0.53 0.00 0.00 176.83 177.36 2nup h ALA 1033N 1.09 1.65 -0.03 6.23 0.00 -1.08 0.14 119.26 127.26 2nup h ALA 1033Ca 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2nup h ALA 1033Cb 0.07 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2nup h ALA 1033CO -0.02 0.17 -0.02 0.00 0.00 0.00 0.00 179.25 179.39 2nup h ARG 1034N 0.86 0.07 -0.23 0.00 3.08 -0.45 -1.44 114.38 116.28 2nup h ARG 1034Ca 0.40 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.30 2nup h ARG 1034Cb 0.39 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2nup h ARG 1034CO -0.16 0.46 -0.35 0.97 -1.07 0.00 0.00 179.97 179.83 2nup h ILE 1035N -0.33 1.29 -0.04 2.04 2.10 -0.77 -1.62 117.51 120.18 2nup h ILE 1035Ca 0.01 -1.45 -0.09 0.00 1.08 0.00 0.00 64.86 64.41 2nup h ILE 1035Cb 0.44 1.49 -0.01 0.00 -1.09 0.00 0.00 36.82 37.66 2nup h ILE 1035CO 0.00 0.45 -0.38 0.40 -1.08 0.00 0.00 178.15 177.55 2nup h ILE 1036N 0.41 1.28 -0.29 2.19 1.08 -0.77 -1.60 117.51 119.82 2nup h ILE 1036Ca 0.05 -1.36 -0.12 0.00 -0.39 0.00 0.00 64.86 63.03 2nup h ILE 1036Cb 0.80 1.68 -0.00 0.00 -3.07 0.00 0.00 36.82 36.23 2nup h ILE 1036CO 0.06 0.40 -0.30 0.00 -0.69 0.00 0.00 178.15 177.62 2nup h ALA 1037N 1.54 0.42 -0.32 1.87 0.00 -0.76 -1.65 119.26 120.36 2nup h ALA 1037Ca 0.01 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 2nup h ALA 1037Cb 0.71 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2nup h ALA 1037CO 0.05 0.45 0.05 0.35 0.00 0.00 0.00 179.25 180.15 2nup h PHE 1038N 0.45 0.57 -0.44 0.00 3.57 -0.99 -2.34 116.94 117.76 2nup h PHE 1038Ca 0.04 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 2nup h PHE 1038Cb 0.87 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.44 2nup h PHE 1038CO 0.07 0.62 0.13 0.82 -2.23 0.00 0.00 178.31 177.72 2nup h ILE 1039N 0.36 1.23 -0.19 1.41 2.04 -1.31 -1.92 117.51 119.12 2nup h ILE 1039Ca 0.10 -0.77 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 2nup h ILE 1039Cb 0.36 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2nup h ILE 1039CO 0.01 0.27 -0.16 0.77 0.00 0.00 0.00 178.15 179.04 2nup h SER 1040N 0.58 0.31 0.26 1.72 4.64 -1.28 -1.95 113.55 117.84 2nup h SER 1040Ca 0.14 -0.08 -0.15 0.00 -0.47 0.00 0.00 61.79 61.24 2nup h SER 1040Cb 0.29 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 2nup h SER 1040CO -0.00 0.50 -0.57 -0.25 -0.87 0.00 0.00 176.83 175.63 2nup h TRP 1041N 0.30 0.41 0.36 4.77 7.01 -1.21 -2.23 115.95 125.37 2nup h TRP 1041Ca 0.06 -0.15 -0.02 0.00 2.11 0.00 0.00 58.89 60.89 2nup h TRP 1041Cb 0.47 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.45 2nup h TRP 1041CO 0.01 0.82 -0.17 -0.07 -2.79 0.00 0.00 178.44 176.24 2nup h LEU 1042N 0.25 -0.41 0.00 0.65 3.38 -0.70 -3.10 115.31 115.37 2nup h LEU 1042Ca -0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2nup h LEU 1042Cb 1.08 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2nup h LEU 1042CO 0.09 -0.11 0.00 -2.11 0.09 0.00 0.00 178.44 176.40 2nup n ARG 1043N -5.20 0.08 0.02 1.13 1.85 -0.79 -1.59 116.66 112.15 2nup n ARG 1043Ca -0.10 0.19 0.13 0.00 -1.00 0.00 0.00 57.85 57.07 2nup n ARG 1043Cb 0.27 -1.50 0.33 0.00 -1.05 0.00 0.00 32.46 30.50 2nup n ARG 1043CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2nup n GLU 1044N -1.43 0.10 -0.09 2.89 1.02 -0.84 -3.36 120.64 118.93 2nup n GLU 1044Ca 0.05 0.04 0.07 0.00 -0.02 0.00 0.00 57.16 57.30 2nup n GLU 1044Cb 0.17 -1.57 0.25 0.00 -0.02 0.00 0.00 31.44 30.26 2nup n GLU 1044CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2nup n GLN 1045N -1.72 1.52 -3.72 3.49 1.13 -0.62 -4.87 117.38 112.59 2nup n GLN 1045Ca 0.05 -0.80 -0.10 0.00 -1.94 0.00 0.00 57.00 54.21 2nup n GLN 1045Cb 0.37 -1.26 -0.06 0.00 0.11 0.00 0.00 30.24 29.40 2nup n GLN 1045CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 2nup s ARG 1046N -1.76 0.97 0.00 -1.09 1.70 -1.21 -5.06 118.95 112.50 2nup s ARG 1046Ca 0.22 -0.77 0.24 0.00 -0.47 0.00 0.00 55.73 54.95 2nup s ARG 1046Cb 0.12 0.42 0.30 0.00 -0.57 0.00 0.00 34.95 35.21 2nup s ARG 1046CO 0.17 -0.35 1.28 -0.35 -1.08 0.00 0.00 175.30 174.96 2nup n PRO 1047N -0.10 0.89 -3.33 3.89 -0.04 -1.26 -4.65 135.00 130.40 2nup n PRO 1047Ca -0.16 -0.66 -0.39 0.00 -0.04 0.00 0.00 63.50 62.26 2nup n PRO 1047Cb 0.63 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.57 2nup n PRO 1047CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2nup n PHE 1048N -0.48 3.65 -0.73 0.54 -0.00 -1.26 -4.89 117.46 114.29 2nup n PHE 1048Ca 0.10 -3.57 -0.34 0.00 -0.00 0.00 0.00 57.45 53.64 2nup n PHE 1048Cb 0.40 -1.18 -0.07 0.00 -0.00 0.00 0.00 39.48 38.63 2nup n PHE 1048CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2nup n PHE 1049N 1.78 0.69 -3.17 -5.13 7.35 -1.26 -4.87 117.46 112.85 2nup n PHE 1049Ca 0.25 0.46 -0.39 0.00 -0.76 0.00 0.00 57.45 57.00 2nup n PHE 1049Cb 0.37 -1.27 -0.06 0.00 0.35 0.00 0.00 39.48 38.87 2nup n PHE 1049CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2nup s PRO 1050N 3.13 4.29 0.85 -7.13 0.04 -1.26 -4.82 135.00 130.09 2nup s PRO 1050Ca 0.66 0.60 -0.10 0.00 0.04 0.00 0.00 61.00 62.20 2nup s PRO 1050Cb -0.84 -3.51 0.10 0.00 0.04 0.00 0.00 34.50 30.30 2nup s PRO 1050CO 0.38 -0.06 1.11 0.96 0.04 0.00 0.00 177.00 179.43 2nup s ILE 1051N 1.31 2.75 -0.12 0.56 -0.00 -1.25 -4.69 121.20 119.77 2nup s ILE 1051Ca 0.29 0.25 -0.01 0.00 -0.00 0.00 0.00 60.65 61.18 2nup s ILE 1051Cb -0.16 -2.54 0.03 0.00 -0.00 0.00 0.00 42.46 39.79 2nup s ILE 1051CO 0.12 -0.32 -0.05 -0.22 -0.00 0.00 0.00 174.94 174.46 2nup s LEU 1052N -6.25 1.17 -0.11 0.37 2.96 -1.26 -1.88 118.68 113.68 2nup s LEU 1052Ca 0.64 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.22 2nup s LEU 1052Cb -0.20 -0.78 0.01 0.00 0.50 0.00 0.00 46.19 45.73 2nup s LEU 1052CO 0.57 -0.15 -0.18 -0.72 -1.32 0.00 0.00 176.35 174.54 2nup s TYR 1053N 1.74 2.24 -0.81 5.38 -0.85 -1.26 -3.35 117.35 120.45 2nup s TYR 1053Ca 0.04 -1.04 0.26 0.00 -0.52 0.00 0.00 57.07 55.81 2nup s TYR 1053Cb -0.13 -1.56 0.76 0.00 0.38 0.00 0.00 41.96 41.40 2nup s TYR 1053CO -0.08 -0.49 1.65 0.28 -1.52 0.00 0.00 175.55 175.39 2nup n VAL 1054N 4.02 0.32 -0.23 -3.49 0.31 -1.10 -1.91 118.33 116.25 2nup n VAL 1054Ca -0.20 -0.18 0.24 0.00 -0.01 0.00 0.00 64.34 64.19 2nup n VAL 1054Cb 0.52 -0.35 0.37 0.00 -0.91 0.00 0.00 33.84 33.47 2nup n VAL 1054CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2nup n ILE 1055N -1.95 0.00 -1.58 2.52 5.41 -1.26 -3.70 119.36 118.81 2nup n ILE 1055Ca 0.05 0.95 -0.14 0.00 1.00 0.00 0.00 62.75 64.62 2nup n ILE 1055Cb 0.40 -1.68 -0.09 0.00 -0.71 0.00 0.00 39.64 37.57 2nup n ILE 1055CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2nup s ARG 1056N -3.90 1.39 0.52 0.38 1.81 -1.26 -4.56 118.95 113.34 2nup s ARG 1056Ca -0.02 0.13 0.08 0.00 -1.72 0.00 0.00 55.73 54.19 2nup s ARG 1056Cb 0.12 -4.86 0.08 0.00 -0.45 0.00 0.00 34.95 29.84 2nup s ARG 1056CO 0.40 -4.93 0.65 -0.25 -0.68 0.00 0.00 175.30 170.50 2nup n ASP 1057N 19.24 2.09 -1.05 0.23 8.00 -1.24 -2.25 116.55 141.56 2nup n ASP 1057Ca 0.45 -2.48 0.03 0.00 0.71 0.00 0.00 54.79 53.49 2nup n ASP 1057Cb 0.45 -0.31 0.16 0.00 -0.02 0.00 0.00 41.12 41.40 2nup n ASP 1057CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2nup n GLU 1058N -2.05 2.55 -1.97 -1.24 4.07 -1.26 -4.13 120.64 116.61 2nup n GLU 1058Ca 0.11 -1.26 -0.01 0.00 -0.06 0.00 0.00 57.16 55.94 2nup n GLU 1058Cb 0.55 -1.80 -0.00 0.00 -0.06 0.00 0.00 31.44 30.13 2nup n GLU 1058CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 2nup n SER 1059N 0.25 -0.45 -0.94 4.31 3.41 -1.26 -4.99 113.62 113.96 2nup n SER 1059Ca 0.11 -1.26 0.11 0.00 -0.26 0.00 0.00 58.87 57.57 2nup n SER 1059Cb 0.62 0.39 0.12 0.00 -0.26 0.00 0.00 64.21 65.09 2nup n SER 1059CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2nup n PRO 1060N -0.25 2.15 -3.39 4.33 -0.04 -1.26 -4.94 135.00 131.60 2nup n PRO 1060Ca -0.12 -1.93 -0.23 0.00 -0.04 0.00 0.00 63.50 61.19 2nup n PRO 1060Cb 0.56 -1.44 0.06 0.00 -0.04 0.00 0.00 33.50 32.65 2nup n PRO 1060CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2nup n MET 1061N 1.27 -6.87 -1.31 0.54 2.81 -1.26 -4.83 117.12 107.47 2nup n MET 1061Ca 0.14 0.84 0.01 0.00 -1.81 0.00 0.00 57.70 56.88 2nup n MET 1061Cb 0.55 -5.79 -0.01 0.00 -0.71 0.00 0.00 33.22 27.27 2nup n MET 1061CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2nup n LYS 1062N -4.62 0.00 -0.03 0.03 5.02 -1.26 -4.91 118.16 112.39 2nup n LYS 1062Ca -0.03 -1.64 0.00 0.00 -2.02 0.00 0.00 58.31 54.62 2nup n LYS 1062Cb 0.58 0.13 0.00 0.00 -0.02 0.00 0.00 35.03 35.72 2nup n LYS 1062CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nup n ALA 1063N 0.33 2.48 0.81 7.82 0.00 -1.26 -4.11 120.51 126.58 2nup n ALA 1063Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2nup n ALA 1063Cb 0.99 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.44 2nup n ALA 1063CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2nup n ASN 1064N 0.63 0.01 -0.01 0.00 0.23 -1.26 -0.61 115.26 114.25 2nup n ASN 1064Ca 0.00 -0.83 -0.17 0.00 -0.53 0.00 0.00 54.58 53.05 2nup n ASN 1064Cb 0.44 -0.01 -0.07 0.00 -2.08 0.00 0.00 39.78 38.07 2nup n ASN 1064CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 2nup h PHE 1065N 0.02 1.03 -0.25 -2.53 3.57 -2.02 -3.12 116.94 113.65 2nup h PHE 1065Ca 0.00 -0.47 -0.11 0.00 3.53 0.00 0.00 57.97 60.92 2nup h PHE 1065Cb 0.01 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 2nup h PHE 1065CO 0.00 1.30 -0.29 -0.07 -2.23 0.00 0.00 178.31 177.02 2nup h LEU 1066N 0.50 0.51 -0.66 0.59 3.38 -1.22 -2.47 115.31 115.94 2nup h LEU 1066Ca -0.06 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2nup h LEU 1066Cb 1.45 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2nup h LEU 1066CO 0.16 0.79 0.17 0.00 0.09 0.00 0.00 178.44 179.66 2nup n GLN 1067N -4.09 0.07 0.00 1.13 6.02 -1.18 0.34 117.38 119.66 2nup n GLN 1067Ca -0.01 0.51 0.12 0.00 -0.01 0.00 0.00 57.00 57.61 2nup n GLN 1067Cb 0.44 -1.89 0.16 0.00 1.02 0.00 0.00 30.24 29.96 2nup n GLN 1067CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2nup n ASN 1068N -1.83 2.65 -3.86 1.08 3.02 -0.93 -4.63 115.26 110.76 2nup n ASN 1068Ca -0.01 -1.86 -0.42 0.00 -0.03 0.00 0.00 54.58 52.26 2nup n ASN 1068Cb 0.19 0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 2nup n ASN 1068CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2nup n MET 1069N 1.00 3.14 0.00 3.52 2.81 0.15 -4.79 117.12 122.95 2nup n MET 1069Ca 0.14 -2.98 0.04 0.00 -1.81 0.00 0.00 57.70 53.09 2nup n MET 1069Cb 0.55 -3.18 0.26 0.00 -0.71 0.00 0.00 33.22 30.14 2nup n MET 1069CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 2nup n ILE 1070N 4.62 0.00 -0.06 2.02 -6.64 -1.14 -2.90 119.36 115.26 2nup n ILE 1070Ca 0.47 0.00 -0.03 0.00 -1.77 0.00 0.00 62.75 61.42 2nup n ILE 1070Cb 0.39 -0.62 -0.16 0.00 -1.44 0.00 0.00 39.64 37.81 2nup n ILE 1070CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 2nup n GLU 1071N -0.83 0.67 -1.60 6.28 1.02 -0.68 -4.38 120.64 121.12 2nup n GLU 1071Ca 0.07 -0.03 -0.31 0.00 -0.02 0.00 0.00 57.16 56.87 2nup n GLU 1071Cb 0.03 -1.55 0.06 0.00 -0.02 0.00 0.00 31.44 29.96 2nup n GLU 1071CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2nup s ASP 1072N -5.27 5.18 0.34 1.62 1.01 -1.14 0.41 116.67 118.82 2nup s ASP 1072Ca -0.09 1.49 -0.01 0.00 0.71 0.00 0.00 52.55 54.65 2nup s ASP 1072Cb 0.09 -2.33 -0.04 0.00 1.01 0.00 0.00 42.92 41.65 2nup s ASP 1072CO 0.85 -1.55 0.55 0.00 0.21 0.00 0.00 175.17 175.23 2nup s ARG 1073N -5.10 3.51 0.27 8.23 1.70 -1.26 -4.31 118.95 121.98 2nup s ARG 1073Ca 0.59 -0.26 0.04 0.00 -0.47 0.00 0.00 55.73 55.62 2nup s ARG 1073Cb -0.14 -2.66 -0.06 0.00 -0.57 0.00 0.00 34.95 31.53 2nup s ARG 1073CO 0.55 0.15 0.02 -0.08 -1.08 0.00 0.00 175.30 174.86 2nup s THR 1074N -2.28 1.15 0.48 4.99 -1.32 -0.40 -4.91 115.64 113.35 2nup s THR 1074Ca 0.41 -2.03 0.26 0.00 -1.21 0.00 0.00 61.69 59.11 2nup s THR 1074Cb -0.10 -2.55 0.44 0.00 -1.51 0.00 0.00 72.50 68.79 2nup s THR 1074CO 0.35 -0.18 1.86 -0.33 -2.21 0.00 0.00 174.62 174.12 2nup h GLU 1075N 2.30 0.17 0.00 7.08 3.07 -2.01 -2.55 114.58 122.65 2nup h GLU 1075Ca -0.39 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.45 2nup h GLU 1075Cb 1.23 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 29.09 2nup h GLU 1075CO 0.67 0.11 -0.22 -1.13 -1.40 0.00 0.00 179.01 177.03 2nup n SER 1076N -4.38 1.88 -3.76 1.42 3.41 -1.26 -5.04 113.62 105.89 2nup n SER 1076Ca 0.20 -3.12 -0.13 0.00 -0.26 0.00 0.00 58.87 55.56 2nup n SER 1076Cb 0.89 -0.42 -0.10 0.00 -0.26 0.00 0.00 64.21 64.32 2nup n SER 1076CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nup s ALA 1077N -2.53 -0.79 0.66 7.33 0.00 -0.96 -4.26 121.76 121.21 2nup s ALA 1077Ca 0.30 0.60 -0.11 0.00 0.00 0.00 0.00 51.96 52.75 2nup s ALA 1077Cb 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 2nup s ALA 1077CO -0.01 -0.21 1.05 -0.51 0.00 0.00 0.00 175.76 176.08 2nup s LEU 1078N -0.63 3.20 0.63 0.00 1.43 -1.26 -1.27 118.68 120.79 2nup s LEU 1078Ca -0.07 1.59 -0.06 0.00 -1.03 0.00 0.00 54.13 54.56 2nup s LEU 1078Cb -0.04 -4.49 0.03 0.00 0.03 0.00 0.00 46.19 41.72 2nup s LEU 1078CO 0.02 -1.26 0.94 -0.94 0.23 0.00 0.00 176.35 175.34 2nup s SER 1079N -3.76 5.25 0.32 2.29 1.04 -1.26 -4.54 113.70 113.05 2nup s SER 1079Ca 0.58 0.56 0.03 0.00 0.48 0.00 0.00 55.95 57.60 2nup s SER 1079Cb -0.13 -1.41 0.60 0.00 0.10 0.00 0.00 66.02 65.18 2nup s SER 1079CO 0.52 -1.29 1.92 0.22 0.98 0.00 0.00 173.24 175.59 2nup h TYR 1080N -0.34 0.96 -0.30 5.02 3.20 -0.25 -0.55 116.97 124.70 2nup h TYR 1080Ca -0.45 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.37 2nup h TYR 1080Cb 1.28 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 2nup h TYR 1080CO 0.41 0.49 -0.11 -0.92 -1.64 0.00 0.00 178.16 176.39 2nup h TYR 1081N 0.93 0.70 0.02 -3.82 3.20 -1.93 -1.80 116.97 114.27 2nup h TYR 1081Ca 0.37 -0.16 0.01 0.00 3.14 0.00 0.00 58.73 62.09 2nup h TYR 1081Cb 0.24 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 2nup h TYR 1081CO -0.00 0.82 -0.06 0.93 -1.64 0.00 0.00 178.16 178.21 2nup h GLU 1082N 0.37 -0.11 -0.99 1.82 5.08 -1.79 -0.15 114.58 118.81 2nup h GLU 1082Ca 0.07 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.60 2nup h GLU 1082Cb 0.62 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.79 2nup h GLU 1082CO 0.04 -0.07 0.61 0.35 -1.00 0.00 0.00 179.01 178.94 2nup h PHE 1083N -0.11 1.08 -0.43 4.33 3.57 -1.04 0.47 116.94 124.81 2nup h PHE 1083Ca 0.02 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 2nup h PHE 1083Cb 0.13 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 2nup h PHE 1083CO -0.12 0.32 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.10 2nup h LEU 1084N 0.85 0.85 -1.16 0.59 3.38 -0.77 -1.32 115.31 117.73 2nup h LEU 1084Ca 0.54 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2nup h LEU 1084Cb 0.72 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2nup h LEU 1084CO -0.34 1.02 0.29 0.25 0.09 0.00 0.00 178.44 179.75 2nup h LEU 1085N 0.67 0.79 -0.61 1.67 5.85 0.12 -1.22 115.31 122.58 2nup h LEU 1085Ca 0.11 -0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.60 2nup h LEU 1085Cb 0.65 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2nup h LEU 1085CO 0.04 0.67 -0.66 -0.74 -0.34 0.00 0.00 178.44 177.42 2nup h HIS 1086N 0.87 0.22 -0.01 1.25 2.76 0.04 -2.71 115.15 117.57 2nup h HIS 1086Ca 0.21 -0.09 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 2nup h HIS 1086Cb 0.10 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.03 2nup h HIS 1086CO 0.01 0.77 -0.03 0.82 -1.30 0.00 0.00 177.93 178.20 2nup h ILE 1087N 0.12 1.49 -0.60 6.26 2.04 -0.76 -2.85 117.51 123.20 2nup h ILE 1087Ca -0.01 -1.48 0.10 0.00 1.00 0.00 0.00 64.86 64.47 2nup h ILE 1087Cb 1.18 2.46 -0.04 0.00 -0.74 0.00 0.00 36.82 39.68 2nup h ILE 1087CO 0.10 0.39 0.40 -0.61 0.00 0.00 0.00 178.15 178.43 2nup h GLN 1088N -0.56 0.38 0.00 2.37 4.15 -1.28 0.50 115.11 120.67 2nup h GLN 1088Ca -0.00 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 2nup h GLN 1088Cb 0.65 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 2nup h GLN 1088CO 0.01 0.25 -0.39 0.37 -1.93 0.00 0.00 178.83 177.14 2nup h GLN 1089N 0.39 0.00 0.14 1.69 4.15 -1.43 -3.05 115.11 117.01 2nup h GLN 1089Ca 0.28 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.39 2nup h GLN 1089Cb 0.57 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.26 2nup h GLN 1089CO -0.08 0.39 -1.58 1.96 -1.93 0.00 0.00 178.83 177.60 2nup h GLN 1090N 0.00 0.30 -0.30 1.69 1.08 -0.37 -3.29 115.11 114.22 2nup h GLN 1090Ca -0.00 -0.51 0.07 0.00 -1.45 0.00 0.00 58.65 56.75 2nup h GLN 1090Cb 0.75 0.19 -0.07 0.00 -0.05 0.00 0.00 27.48 28.30 2nup h GLN 1090CO 0.05 1.25 -0.21 0.28 -0.95 0.00 0.00 178.83 179.25 2nup h VAL 1091N -0.13 0.42 -0.90 -0.54 2.07 -0.14 -2.57 116.25 114.46 2nup h VAL 1091Ca -0.33 0.00 -0.54 0.00 0.82 0.00 0.00 66.70 66.65 2nup h VAL 1091Cb 1.90 0.42 -0.29 0.00 -1.52 0.00 0.00 31.29 31.81 2nup h VAL 1091CO 0.10 0.00 0.54 -0.46 0.02 0.00 0.00 177.57 177.78 2nup n ASN 1092N -5.37 5.26 0.00 0.57 0.23 -1.16 -4.78 115.26 110.02 2nup n ASN 1092Ca 0.00 -3.72 0.02 0.00 -0.53 0.00 0.00 54.58 50.35 2nup n ASN 1092Cb 0.28 -0.83 0.10 0.00 -2.08 0.00 0.00 39.78 37.25 2nup n ASN 1092CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62