#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nut n GLY 347 N 0.00 4.51 1.36 0.62 0.00 -1.26 -4.93 105.19 105.49 2nut n GLY 347 Ca 0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 46.02 44.92 2nut n GLY 347 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2nut n LEU 348 N 0.00 4.74 -4.83 0.99 7.94 -1.26 -4.84 117.00 119.74 2nut n LEU 348 Ca 0.00 -3.42 -0.30 0.00 -1.11 0.00 0.00 56.01 51.18 2nut n LEU 348 Cb 0.00 -0.65 0.09 0.00 0.53 0.00 0.00 43.42 43.39 2nut n LEU 348 CO 0.00 0.97 0.73 0.00 -1.11 0.00 0.00 177.39 177.98 2nut s ARG 349 N -3.08 2.00 -0.08 1.96 1.70 -1.26 -4.92 118.95 115.28 2nut s ARG 349 Ca 0.47 0.47 0.01 0.00 -0.47 0.00 0.00 55.73 56.21 2nut s ARG 349 Cb 0.40 -1.92 -0.03 0.00 -0.57 0.00 0.00 34.95 32.83 2nut s ARG 349 CO 0.06 -1.64 -0.10 0.08 -1.08 0.00 0.00 175.30 172.63 2nut s VAL 350 N -3.27 3.44 -0.05 4.99 1.01 -1.26 -2.59 120.40 122.67 2nut s VAL 350 Ca 0.61 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 62.06 2nut s VAL 350 Cb -0.13 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.82 2nut s VAL 350 CO 0.53 0.58 -0.15 -0.69 0.00 0.00 0.00 175.10 175.37 2nut s VAL 351 N -0.56 2.99 -0.55 2.92 1.01 0.01 -4.94 120.40 121.27 2nut s VAL 351 Ca 0.08 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 2nut s VAL 351 Cb -0.12 -2.16 0.14 0.00 0.00 0.00 0.00 36.38 34.24 2nut s VAL 351 CO 0.02 0.59 0.49 0.21 0.00 0.00 0.00 175.10 176.41 2nut s ASN 352 N -0.73 6.12 0.61 3.32 2.47 -1.26 -1.22 114.94 124.25 2nut s ASN 352 Ca 0.11 -1.93 0.29 0.00 0.42 0.00 0.00 52.86 51.75 2nut s ASN 352 Cb -0.11 -2.16 1.50 0.00 -1.45 0.00 0.00 41.25 39.04 2nut s ASN 352 CO 0.00 -0.78 1.89 -0.07 -3.72 0.00 0.00 177.10 174.43 2nut h LEU 353 N 8.64 0.00 -0.05 3.21 3.38 -1.36 -1.29 115.31 127.84 2nut h LEU 353 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2nut h LEU 353 Cb 1.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.83 2nut h LEU 353 CO 0.96 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 179.42 2nut h LEU 354 N 0.00 0.00 0.00 1.67 3.38 -1.93 -3.31 115.31 115.12 2nut h LEU 354 Ca 0.15 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.91 2nut h LEU 354 Cb 1.03 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 2nut h LEU 354 CO -0.00 0.00 -2.06 0.00 0.09 0.00 0.00 178.44 176.47 2nut n GLN 355 N -2.93 1.02 0.00 1.13 1.13 -0.51 -4.73 117.38 112.49 2nut n GLN 355 Ca 0.04 -0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.04 2nut n GLN 355 Cb 0.50 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.42 2nut n GLN 355 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2nut n GLU 356 N -2.47 0.00 -0.63 -1.09 -0.58 -1.10 -4.88 120.64 109.89 2nut n GLU 356 Ca -0.20 0.49 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 2nut n GLU 356 Cb 0.87 -1.15 0.00 0.00 -0.57 0.00 0.00 31.44 30.58 2nut n GLU 356 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2nut n ARG 357 N -1.96 -0.59 -2.73 3.49 0.63 -1.25 -4.65 116.66 109.60 2nut n ARG 357 Ca 0.00 0.14 -0.04 0.00 -0.92 0.00 0.00 57.85 57.03 2nut n ARG 357 Cb 0.00 -4.58 0.04 0.00 0.45 0.00 0.00 32.46 28.37 2nut n ARG 357 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2nut n ASN 358 N -0.27 1.86 0.16 6.15 3.02 -1.26 -4.93 115.26 119.99 2nut n ASN 358 Ca 0.00 -2.33 0.13 0.00 -0.03 0.00 0.00 54.58 52.35 2nut n ASN 358 Cb 0.14 -0.48 0.39 0.00 -0.61 0.00 0.00 39.78 39.22 2nut n ASN 358 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2nut h MET 359 N 2.66 0.00 -6.45 3.52 -0.00 -1.96 -3.45 114.93 109.26 2nut h MET 359 Ca -0.08 0.00 -0.54 0.00 -0.00 0.00 0.00 59.70 59.08 2nut h MET 359 Cb 1.26 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.88 2nut h MET 359 CO 0.31 0.00 0.85 -1.17 -0.00 0.00 0.00 176.91 176.89 2nut s LEU 360 N -5.20 4.34 0.73 -0.10 2.96 -1.26 -4.97 118.68 115.19 2nut s LEU 360 Ca 0.07 2.28 -0.12 0.00 -0.22 0.00 0.00 54.13 56.15 2nut s LEU 360 Cb 0.09 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.25 2nut s LEU 360 CO 0.58 -0.75 1.08 -2.16 -1.32 0.00 0.00 176.35 173.78 2nut s PRO 361 N 2.06 2.55 0.38 0.98 0.04 -1.26 -4.96 135.00 134.79 2nut s PRO 361 Ca 0.67 1.16 0.20 0.00 0.04 0.00 0.00 61.00 63.07 2nut s PRO 361 Cb -0.35 -1.93 0.45 0.00 0.04 0.00 0.00 34.50 32.70 2nut s PRO 361 CO 0.29 -1.42 1.62 0.66 0.04 0.00 0.00 177.00 178.20 2nut h SER 362 N -0.77 0.00 -2.40 6.66 4.64 -1.94 -3.43 113.55 116.31 2nut h SER 362 Ca -0.44 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.33 2nut h SER 362 Cb 1.23 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.25 2nut h SER 362 CO 0.53 0.28 -0.58 0.42 -0.87 0.00 0.00 176.83 176.62 2nut s THR 363 N -3.26 4.13 0.34 2.95 -4.23 -1.26 -1.62 115.64 112.69 2nut s THR 363 Ca 0.03 -1.46 -0.26 0.00 -1.18 0.00 0.00 61.69 58.83 2nut s THR 363 Cb 0.08 -3.18 -0.13 0.00 1.34 0.00 0.00 72.50 70.61 2nut s THR 363 CO 0.69 -0.27 0.89 -2.65 -0.54 0.00 0.00 174.62 172.73 2nut n PRO 364 N -0.80 1.11 -2.47 3.99 -0.02 -1.26 -4.90 135.00 130.65 2nut n PRO 364 Ca -0.08 0.40 -0.41 0.00 -2.02 0.00 0.00 63.50 61.39 2nut n PRO 364 Cb 0.57 -1.78 -0.04 0.00 -0.02 0.00 0.00 33.50 32.24 2nut n PRO 364 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2nut s LEU 365 N 0.60 4.47 -0.09 2.45 1.43 -1.26 -5.04 118.68 121.25 2nut s LEU 365 Ca 0.61 2.12 -0.01 0.00 -1.03 0.00 0.00 54.13 55.82 2nut s LEU 365 Cb -0.66 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 41.93 2nut s LEU 365 CO 0.59 -0.28 -0.03 -0.54 0.23 0.00 0.00 176.35 176.31 2nut s LYS 366 N -0.22 2.95 0.52 1.70 1.02 -1.26 -5.09 119.74 119.36 2nut s LYS 366 Ca 0.51 -0.48 -0.22 0.00 0.02 0.00 0.00 55.97 55.80 2nut s LYS 366 Cb -0.30 -2.72 -0.06 0.00 -0.52 0.00 0.00 37.83 34.23 2nut s LYS 366 CO 0.35 0.64 1.24 -0.35 -0.92 0.00 0.00 175.35 176.30 2nut n PRO 367 N 2.33 1.56 -1.73 -1.68 -0.04 -1.26 -4.94 135.00 129.24 2nut n PRO 367 Ca -0.18 0.57 -0.38 0.00 -0.04 0.00 0.00 63.50 63.47 2nut n PRO 367 Cb 0.53 -2.41 0.05 0.00 -0.04 0.00 0.00 33.50 31.63 2nut n PRO 367 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2nut n PRO 368 N -0.70 1.46 -3.55 0.54 -0.02 -1.26 -4.99 135.00 126.48 2nut n PRO 368 Ca 0.10 0.55 -0.40 0.00 -2.02 0.00 0.00 63.50 61.73 2nut n PRO 368 Cb 0.44 -2.53 -0.11 0.00 -0.02 0.00 0.00 33.50 31.28 2nut n PRO 368 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2nut s VAL 369 N -1.33 5.24 0.34 -1.45 1.01 -1.26 -5.05 120.40 117.89 2nut s VAL 369 Ca 0.75 -0.13 -0.26 0.00 0.00 0.00 0.00 61.98 62.34 2nut s VAL 369 Cb -0.41 -3.64 -0.13 0.00 0.00 0.00 0.00 36.38 32.20 2nut s VAL 369 CO 0.47 0.06 0.81 -2.65 0.00 0.00 0.00 175.10 173.79 2nut n PRO 370 N 5.09 0.95 -2.58 2.72 -0.02 -1.26 -4.79 135.00 135.10 2nut n PRO 370 Ca -0.13 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.26 2nut n PRO 370 Cb 0.50 -1.66 -0.01 0.00 -0.02 0.00 0.00 33.50 32.31 2nut n PRO 370 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2nut s ASN 371 N -0.76 6.75 0.15 2.55 2.47 -1.26 -4.91 114.94 119.92 2nut s ASN 371 Ca 0.61 -2.18 0.07 0.00 0.42 0.00 0.00 52.86 51.79 2nut s ASN 371 Cb -0.68 -2.57 -0.04 0.00 -1.45 0.00 0.00 41.25 36.51 2nut s ASN 371 CO 0.58 -1.26 -0.16 -0.76 -3.72 0.00 0.00 177.10 171.79 2nut s LEU 372 N 4.38 2.43 0.41 3.21 1.43 -1.26 -4.69 118.68 124.60 2nut s LEU 372 Ca 0.51 -0.85 -0.24 0.00 -1.03 0.00 0.00 54.13 52.52 2nut s LEU 372 Cb 0.03 -0.66 -0.11 0.00 0.03 0.00 0.00 46.19 45.48 2nut s LEU 372 CO 0.03 -0.11 1.01 1.57 0.23 0.00 0.00 176.35 179.07 2nut n HIS 373 N 0.34 1.17 -0.21 0.29 -0.00 -1.26 -4.69 115.22 110.86 2nut n HIS 373 Ca -0.14 0.57 -0.02 0.00 -0.00 0.00 0.00 57.72 58.13 2nut n HIS 373 Cb 0.57 -2.23 0.05 0.00 -0.00 0.00 0.00 29.99 28.39 2nut n HIS 373 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.34 177.83 2nut h GLU 374 N 1.57 -0.05 -0.63 1.57 4.81 -1.99 -1.82 114.58 118.03 2nut h GLU 374 Ca -0.44 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 2nut h GLU 374 Cb 1.34 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.70 2nut h GLU 374 CO 0.57 -0.03 0.34 -0.44 -0.73 0.00 0.00 179.01 178.72 2nut h ASP 375 N -0.05 0.78 -0.04 1.04 3.32 -2.01 -2.64 116.42 116.81 2nut h ASP 375 Ca 0.29 -0.06 -0.24 0.00 0.02 0.00 0.00 57.03 57.04 2nut h ASP 375 Cb 0.50 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.87 2nut h ASP 375 CO -0.67 0.63 -0.91 0.40 -1.72 0.00 0.00 179.24 176.97 2nut h ILE 376 N 0.88 1.28 0.00 0.35 1.08 -1.75 -3.29 117.51 116.07 2nut h ILE 376 Ca 0.22 -2.13 -0.08 0.00 -0.39 0.00 0.00 64.86 62.49 2nut h ILE 376 Cb 0.03 2.19 -0.01 0.00 -3.07 0.00 0.00 36.82 35.96 2nut h ILE 376 CO -0.04 0.66 -0.37 -0.61 -0.69 0.00 0.00 178.15 177.11 2nut h GLN 377 N 0.45 0.00 0.00 2.37 5.75 -1.19 -2.49 115.11 120.00 2nut h GLN 377 Ca -0.09 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 2nut h GLN 377 Cb 1.55 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.10 2nut h GLN 377 CO 0.18 0.37 0.00 1.57 -2.65 0.00 0.00 178.83 178.30 2nut h LYS 378 N 0.00 0.00 -0.00 1.69 2.10 -1.54 -2.69 116.57 116.13 2nut h LYS 378 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2nut h LYS 378 Cb 0.70 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.03 2nut h LYS 378 CO 0.05 0.00 -0.97 1.28 -2.00 0.00 0.00 179.45 177.81 2nut n LEU 379 N -2.42 1.04 -4.57 7.07 4.77 -0.96 -5.01 117.00 116.93 2nut n LEU 379 Ca 0.03 -0.51 -0.33 0.00 -0.03 0.00 0.00 56.01 55.17 2nut n LEU 379 Cb 0.29 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.52 2nut n LEU 379 CO 0.23 0.25 0.37 -3.20 -1.33 0.00 0.00 177.39 173.71 2nut n ASN 380 N -1.43 -0.54 -4.77 -1.43 2.85 -1.02 -4.06 115.26 104.87 2nut n ASN 380 Ca 0.04 0.43 -0.40 0.00 -0.11 0.00 0.00 54.58 54.54 2nut n ASN 380 Cb 0.33 -1.37 -0.02 0.00 1.24 0.00 0.00 39.78 39.96 2nut n ASN 380 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2nut n ASN 382 N 0.59 3.40 0.30 0.00 4.05 -1.26 -4.86 115.26 117.49 2nut n ASN 382 Ca 0.01 1.06 0.17 0.00 0.45 0.00 0.00 54.58 56.27 2nut n ASN 382 Cb 0.44 -1.47 0.96 0.00 1.23 0.00 0.00 39.78 40.94 2nut n ASN 382 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 2nut h PRO 383 N 6.56 0.00 0.00 1.20 0.13 -1.92 -1.12 132.00 136.85 2nut h PRO 383 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 2nut h PRO 383 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2nut h PRO 383 CO 0.91 0.01 -0.03 0.93 -0.23 0.00 0.00 178.00 179.60 2nut h GLU 384 N 0.00 0.00 0.00 0.86 5.08 -1.99 -3.22 114.58 115.31 2nut h GLU 384 Ca -0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.00 2nut h GLU 384 Cb 0.04 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.23 2nut h GLU 384 CO 0.00 0.03 -2.31 1.28 -1.00 0.00 0.00 179.01 177.01 2nut n LEU 385 N -3.14 0.46 -3.57 1.33 4.77 -0.46 -4.51 117.00 111.87 2nut n LEU 385 Ca 0.00 0.04 -0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2nut n LEU 385 Cb 0.32 0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 41.66 2nut n LEU 385 CO 0.28 0.54 0.24 0.12 -1.33 0.00 0.00 177.39 177.24 2nut s PHE 386 N -2.51 -1.38 0.09 -1.77 2.19 -0.97 -1.57 117.98 112.06 2nut s PHE 386 Ca -0.12 2.22 -0.05 0.00 0.33 0.00 0.00 56.93 59.31 2nut s PHE 386 Cb 0.07 0.76 -0.02 0.00 -1.31 0.00 0.00 43.02 42.51 2nut s PHE 386 CO 0.80 -0.70 0.10 -0.98 1.83 0.00 0.00 175.22 176.28 2nut s ARG 387 N 2.89 0.81 0.06 10.12 1.70 -0.71 -4.29 118.95 129.52 2nut s ARG 387 Ca -0.02 -1.15 0.07 0.00 -0.47 0.00 0.00 55.73 54.16 2nut s ARG 387 Cb -0.12 0.28 -0.04 0.00 -0.57 0.00 0.00 34.95 34.50 2nut s ARG 387 CO -0.19 -0.23 -0.14 0.00 -1.08 0.00 0.00 175.30 173.66 2nut h THR 389 N 3.70 0.50 -3.15 0.00 1.35 -1.74 -3.38 112.91 110.19 2nut h THR 389 Ca -0.48 -0.80 -0.57 0.00 -0.55 0.00 0.00 66.41 64.01 2nut h THR 389 Cb 1.16 1.54 -0.40 0.00 -1.73 0.00 0.00 68.15 68.73 2nut h THR 389 CO 0.50 0.16 -0.76 -0.76 -0.25 0.00 0.00 175.52 174.40 2nut s LEU 390 N -6.92 1.93 0.34 3.87 1.43 -1.26 -0.76 118.68 117.30 2nut s LEU 390 Ca -0.01 -1.47 0.25 0.00 -1.03 0.00 0.00 54.13 51.88 2nut s LEU 390 Cb 0.11 -0.79 1.18 0.00 0.03 0.00 0.00 46.19 46.73 2nut s LEU 390 CO 0.60 -0.40 1.77 0.71 0.23 0.00 0.00 176.35 179.26 2nut h THR 391 N 6.49 0.00 -3.71 5.49 1.35 -1.63 -3.32 112.91 117.58 2nut h THR 391 Ca -0.15 -0.17 -0.68 0.00 -0.55 0.00 0.00 66.41 64.87 2nut h THR 391 Cb 1.03 0.86 -0.36 0.00 -1.73 0.00 0.00 68.15 67.95 2nut h THR 391 CO 0.45 0.00 -0.69 -0.44 -0.25 0.00 0.00 175.52 174.58 2nut s SER 392 N -4.38 4.84 -0.01 5.36 0.01 -1.26 -3.98 113.70 114.27 2nut s SER 392 Ca 0.01 -1.70 -0.30 0.00 1.31 0.00 0.00 55.95 55.27 2nut s SER 392 Cb 0.08 -1.68 -0.05 0.00 0.21 0.00 0.00 66.02 64.59 2nut s SER 392 CO 0.34 -0.34 1.31 -0.63 0.41 0.00 0.00 173.24 174.33 2nut s ILE 393 N 1.10 3.94 0.24 1.44 -1.09 -0.58 -4.69 121.20 121.56 2nut s ILE 393 Ca 0.01 1.31 -0.31 0.00 -2.23 0.00 0.00 60.65 59.43 2nut s ILE 393 Cb -0.20 -3.84 -0.11 0.00 -1.58 0.00 0.00 42.46 36.73 2nut s ILE 393 CO -0.04 0.01 1.59 -2.84 -1.23 0.00 0.00 174.94 172.42 2nut s PRO 394 N 2.18 4.17 0.43 2.79 0.02 -1.26 -0.90 135.00 142.43 2nut s PRO 394 Ca 0.60 2.48 0.17 0.00 0.02 0.00 0.00 61.00 64.28 2nut s PRO 394 Cb -0.29 -3.08 0.97 0.00 0.02 0.00 0.00 34.50 32.12 2nut s PRO 394 CO 0.25 -0.61 1.92 0.37 -0.33 0.00 0.00 177.00 178.60 2nut h GLN 395 N 5.76 0.00 -4.91 5.54 4.15 -1.30 -3.45 115.11 120.90 2nut h GLN 395 Ca -0.45 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 58.67 2nut h GLN 395 Cb 1.21 0.00 -0.17 0.00 0.21 0.00 0.00 27.48 28.73 2nut h GLN 395 CO 0.85 0.26 -0.72 0.95 -1.93 0.00 0.00 178.83 178.24 2nut s THR 396 N -4.25 0.92 0.38 2.39 -4.23 -1.26 -0.61 115.64 108.97 2nut s THR 396 Ca -0.03 -1.75 0.08 0.00 -1.18 0.00 0.00 61.69 58.81 2nut s THR 396 Cb 0.14 -1.48 0.17 0.00 1.34 0.00 0.00 72.50 72.66 2nut s THR 396 CO 0.68 -0.65 1.92 -0.61 -0.54 0.00 0.00 174.62 175.42 2nut h GLN 397 N 3.34 0.34 -0.37 3.99 5.75 -1.87 -1.46 115.11 124.83 2nut h GLN 397 Ca -0.37 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.06 2nut h GLN 397 Cb 1.19 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.67 2nut h GLN 397 CO 0.57 0.42 0.20 0.00 -2.65 0.00 0.00 178.83 177.37 2nut h ALA 398 N 1.62 0.48 -0.48 3.38 0.00 -1.95 0.11 119.26 122.41 2nut h ALA 398 Ca 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2nut h ALA 398 Cb 0.32 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2nut h ALA 398 CO 0.01 0.00 0.20 1.25 0.00 0.00 0.00 179.25 180.72 2nut h LEU 399 N 0.47 0.65 -0.46 0.00 5.85 -1.82 -1.69 115.31 118.31 2nut h LEU 399 Ca 0.13 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.72 2nut h LEU 399 Cb 0.06 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2nut h LEU 399 CO -0.02 0.63 0.26 0.25 -0.34 0.00 0.00 178.44 179.22 2nut h LEU 400 N 0.63 0.41 -1.31 2.25 5.85 -0.90 -2.53 115.31 119.72 2nut h LEU 400 Ca 0.16 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 2nut h LEU 400 Cb 0.17 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2nut h LEU 400 CO -0.02 0.29 -0.24 0.78 -0.34 0.00 0.00 178.44 178.92 2nut h ASN 401 N 0.52 0.15 -0.48 1.25 2.35 -0.53 -2.96 115.58 115.89 2nut h ASN 401 Ca 0.19 -0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 2nut h ASN 401 Cb 0.04 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2nut h ASN 401 CO -0.10 0.41 0.01 0.11 -1.65 0.00 0.00 177.43 176.21 2nut h LYS 402 N 0.14 0.84 0.00 0.81 1.57 -0.89 -2.92 116.57 116.12 2nut h LYS 402 Ca 0.02 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 2nut h LYS 402 Cb 0.52 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.74 2nut h LYS 402 CO 0.04 0.88 -0.16 0.00 -0.57 0.00 0.00 179.45 179.63 2nut h ALA 403 N 0.93 1.45 -4.29 3.86 0.00 -1.33 -3.45 119.26 116.43 2nut h ALA 403 Ca 0.14 -0.15 -0.37 0.00 0.00 0.00 0.00 54.91 54.53 2nut h ALA 403 Cb 0.49 -0.03 0.07 0.00 0.00 0.00 0.00 17.79 18.32 2nut h ALA 403 CO 0.02 0.20 -0.57 1.63 0.00 0.00 0.00 179.25 180.54 2nut n LYS 404 N -3.94 -4.86 -4.97 0.00 4.76 -1.11 -4.44 118.16 103.61 2nut n LYS 404 Ca -0.02 0.83 -0.28 0.00 -2.87 0.00 0.00 58.31 55.97 2nut n LYS 404 Cb 0.25 -5.56 -0.16 0.00 -1.84 0.00 0.00 35.03 27.72 2nut n LYS 404 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2nut s LEU 405 N -6.25 1.95 0.33 -0.35 1.43 -1.26 -4.37 118.68 110.16 2nut s LEU 405 Ca 0.31 -0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 52.71 2nut s LEU 405 Cb -0.14 -1.11 -0.10 0.00 0.03 0.00 0.00 46.19 44.87 2nut s LEU 405 CO 0.38 0.17 1.28 -2.16 0.23 0.00 0.00 176.35 176.25 2nut s PRO 406 N 0.06 4.39 -0.25 1.29 0.04 -1.26 -4.93 135.00 134.34 2nut s PRO 406 Ca -0.06 2.16 -0.08 0.00 0.04 0.00 0.00 61.00 63.06 2nut s PRO 406 Cb -0.13 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 2nut s PRO 406 CO 0.03 -0.14 0.09 -1.17 0.04 0.00 0.00 177.00 175.86 2nut s LEU 407 N -1.76 3.59 0.18 -3.56 2.96 -1.26 -4.72 118.68 114.11 2nut s LEU 407 Ca 0.48 -0.14 -0.23 0.00 -0.22 0.00 0.00 54.13 54.02 2nut s LEU 407 Cb -0.39 -1.96 0.07 0.00 0.50 0.00 0.00 46.19 44.41 2nut s LEU 407 CO 0.51 -0.02 0.98 -0.83 -1.32 0.00 0.00 176.35 175.68 2nut s GLY 408 N 1.52 -0.05 0.08 7.98 0.00 -1.26 -0.35 107.32 115.23 2nut s GLY 408 Ca 0.06 -0.12 0.10 0.00 0.00 0.00 0.00 44.72 44.76 2nut s GLY 408 CO 0.05 0.94 -0.26 1.08 0.00 0.00 0.00 173.10 174.90 2nut s LEU 409 N -3.14 2.23 -0.07 0.66 1.43 0.76 -2.10 118.68 118.46 2nut s LEU 409 Ca 0.16 -0.65 0.04 0.00 -1.03 0.00 0.00 54.13 52.65 2nut s LEU 409 Cb -0.02 -1.23 -0.00 0.00 0.03 0.00 0.00 46.19 44.97 2nut s LEU 409 CO 0.04 0.22 -0.20 -0.76 0.23 0.00 0.00 176.35 175.87 2nut s LEU 410 N -1.57 1.96 0.05 1.79 1.02 -0.60 0.23 118.68 121.56 2nut s LEU 410 Ca 0.12 -0.45 0.01 0.00 0.02 0.00 0.00 54.13 53.83 2nut s LEU 410 Cb -0.10 -1.18 -0.03 0.00 0.02 0.00 0.00 46.19 44.90 2nut s LEU 410 CO 0.04 0.16 -0.05 -1.48 0.02 0.00 0.00 176.35 175.04 2nut s LEU 411 N 0.19 2.36 -0.42 1.79 2.34 0.20 -1.74 118.68 123.41 2nut s LEU 411 Ca -0.10 -0.74 0.10 0.00 0.06 0.00 0.00 54.13 53.45 2nut s LEU 411 Cb -0.15 0.03 0.32 0.00 -0.56 0.00 0.00 46.19 45.84 2nut s LEU 411 CO 0.05 -0.39 0.72 1.57 -1.06 0.00 0.00 176.35 177.24 2nut n HIS 412 N 0.87 0.75 -0.05 3.48 -0.00 -0.61 -0.63 115.22 119.02 2nut n HIS 412 Ca -0.19 -3.80 0.14 0.00 0.46 0.00 0.00 57.72 54.33 2nut n HIS 412 Cb 0.58 -0.42 0.56 0.00 -0.12 0.00 0.00 29.99 30.58 2nut n HIS 412 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2nut h PRO 413 N 3.27 0.28 -0.49 1.57 0.13 -1.82 -2.83 132.00 132.10 2nut h PRO 413 Ca 0.10 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 2nut h PRO 413 Cb 0.87 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2nut h PRO 413 CO 0.55 0.18 0.00 0.34 -0.23 0.00 0.00 178.00 178.84 2nut n PHE 414 N -4.45 1.72 -1.66 1.56 7.35 -1.26 -5.01 117.46 115.70 2nut n PHE 414 Ca 0.10 -0.76 -0.40 0.00 -0.76 0.00 0.00 57.45 55.62 2nut n PHE 414 Cb 0.44 -0.44 0.03 0.00 0.35 0.00 0.00 39.48 39.85 2nut n PHE 414 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 2nut n LYS 415 N 0.32 1.49 -2.00 -4.13 4.81 -1.07 -4.12 118.16 113.46 2nut n LYS 415 Ca 0.26 0.54 -0.42 0.00 -0.87 0.00 0.00 58.31 57.82 2nut n LYS 415 Cb 1.09 -2.26 -0.03 0.00 0.02 0.00 0.00 35.03 33.85 2nut n LYS 415 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2nut s ASP 416 N -0.81 6.67 0.22 3.14 1.01 -1.26 -5.00 116.67 120.65 2nut s ASP 416 Ca 0.66 2.30 0.06 0.00 0.71 0.00 0.00 52.55 56.28 2nut s ASP 416 Cb -0.49 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 40.86 2nut s ASP 416 CO 0.54 -0.89 0.25 -0.76 0.21 0.00 0.00 175.17 174.52 2nut s LEU 417 N 3.47 4.03 -0.15 1.23 1.43 -1.26 -5.04 118.68 122.38 2nut s LEU 417 Ca 0.73 -0.09 -0.27 0.00 -1.03 0.00 0.00 54.13 53.47 2nut s LEU 417 Cb -0.35 -2.58 -0.25 0.00 0.03 0.00 0.00 46.19 43.05 2nut s LEU 417 CO 0.30 -0.02 0.66 0.58 0.23 0.00 0.00 176.35 178.10 2nut h VAL 418 N 1.49 1.62 -3.30 -1.59 2.07 -2.06 -3.45 116.25 111.03 2nut h VAL 418 Ca -0.49 -2.31 -0.45 0.00 0.82 0.00 0.00 66.70 64.27 2nut h VAL 418 Cb 1.23 3.15 -0.36 0.00 -1.52 0.00 0.00 31.29 33.79 2nut h VAL 418 CO 0.62 0.55 -0.78 0.00 0.02 0.00 0.00 177.57 177.98 2nut s GLN 419 N -2.24 0.93 -0.15 1.57 -2.07 -1.26 -5.13 119.66 111.31 2nut s GLN 419 Ca -0.21 -0.06 -0.00 0.00 -1.82 0.00 0.00 55.36 53.28 2nut s GLN 419 Cb -0.01 -1.10 0.03 0.00 -1.09 0.00 0.00 33.01 30.84 2nut s GLN 419 CO 0.67 -0.22 -0.09 -1.17 -1.32 0.00 0.00 175.29 173.15 2nut s LEU 420 N 1.56 1.60 0.06 2.60 2.96 -1.26 -5.11 118.68 121.09 2nut s LEU 420 Ca -0.00 -0.53 -0.31 0.00 -0.22 0.00 0.00 54.13 53.07 2nut s LEU 420 Cb -0.13 -1.02 -0.07 0.00 0.50 0.00 0.00 46.19 45.47 2nut s LEU 420 CO -0.04 -0.12 1.41 -2.84 -1.32 0.00 0.00 176.35 173.44 2nut s PRO 421 N 1.58 4.30 -0.28 0.98 0.02 -1.26 -4.91 135.00 135.41 2nut s PRO 421 Ca 0.03 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.10 2nut s PRO 421 Cb -0.14 -3.42 0.05 0.00 0.02 0.00 0.00 34.50 31.02 2nut s PRO 421 CO -0.09 -0.52 -0.04 0.08 -0.33 0.00 0.00 177.00 176.10 2nut s VAL 422 N 1.78 2.66 -0.20 3.83 1.01 -1.26 -0.76 120.40 127.46 2nut s VAL 422 Ca 0.65 -1.49 -0.17 0.00 0.00 0.00 0.00 61.98 60.97 2nut s VAL 422 Cb -0.35 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 2nut s VAL 422 CO 0.29 -0.08 0.47 -0.69 0.00 0.00 0.00 175.10 175.10 2nut s VAL 423 N 1.19 5.14 -0.23 2.92 1.01 0.11 -4.95 120.40 125.58 2nut s VAL 423 Ca -0.07 0.86 0.14 0.00 0.00 0.00 0.00 61.98 62.91 2nut s VAL 423 Cb -0.20 -3.80 0.77 0.00 0.00 0.00 0.00 36.38 33.15 2nut s VAL 423 CO -0.03 0.20 1.70 0.35 0.00 0.00 0.00 175.10 177.33 2nut n THR 424 N 4.48 2.71 -1.36 3.92 -2.24 -1.26 -2.52 114.28 118.01 2nut n THR 424 Ca -0.06 -1.51 -0.53 0.00 -2.27 0.00 0.00 64.05 59.68 2nut n THR 424 Cb 0.51 -0.28 -0.07 0.00 -2.10 0.00 0.00 70.33 68.38 2nut n THR 424 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2nut n SER 425 N 0.38 0.36 0.15 3.42 7.64 -1.26 -4.75 113.62 119.56 2nut n SER 425 Ca 0.28 1.00 0.11 0.00 1.01 0.00 0.00 58.87 61.26 2nut n SER 425 Cb 1.16 -0.77 0.55 0.00 -1.01 0.00 0.00 64.21 64.14 2nut n SER 425 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2nut n SER 426 N 2.03 0.54 -3.85 6.43 7.64 -1.26 -4.44 113.62 120.71 2nut n SER 426 Ca 0.20 0.74 -0.12 0.00 1.01 0.00 0.00 58.87 60.71 2nut n SER 426 Cb 0.03 -0.82 -0.13 0.00 -1.01 0.00 0.00 64.21 62.28 2nut n SER 426 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2nut s THR 427 N -3.51 -0.00 -0.22 0.44 -1.32 -1.26 -5.04 115.64 104.73 2nut s THR 427 Ca -0.02 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.38 2nut s THR 427 Cb 0.06 -0.10 -0.04 0.00 -1.51 0.00 0.00 72.50 70.91 2nut s THR 427 CO 0.20 0.00 0.10 -0.63 -2.21 0.00 0.00 174.62 172.08 2nut s ILE 428 N 0.05 4.88 -0.35 5.08 1.09 -1.26 -5.06 121.20 125.63 2nut s ILE 428 Ca -0.00 0.01 -0.26 0.00 -1.10 0.00 0.00 60.65 59.29 2nut s ILE 428 Cb -0.01 -3.25 0.01 0.00 -1.06 0.00 0.00 42.46 38.16 2nut s ILE 428 CO 0.00 0.39 0.95 -0.69 -0.10 0.00 0.00 174.94 175.49 2nut s VAL 429 N 0.90 4.59 0.04 2.92 1.01 -1.26 -5.03 120.40 123.58 2nut s VAL 429 Ca 0.05 1.35 0.02 0.00 0.00 0.00 0.00 61.98 63.41 2nut s VAL 429 Cb -0.13 -4.33 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 2nut s VAL 429 CO 0.03 -0.48 -0.08 -0.13 0.00 0.00 0.00 175.10 174.44 2nut s ARG 430 N 3.46 0.53 0.23 2.72 0.52 -1.26 -1.78 118.95 123.38 2nut s ARG 430 Ca 0.40 -0.78 -0.31 0.00 -0.52 0.00 0.00 55.73 54.52 2nut s ARG 430 Cb -0.12 -0.27 -0.11 0.00 0.52 0.00 0.00 34.95 34.97 2nut s ARG 430 CO 0.17 0.04 1.59 0.00 0.02 0.00 0.00 175.30 177.13 2nut h ARG 432 N 5.82 0.00 0.00 0.00 3.08 -1.94 -1.46 114.38 119.88 2nut h ARG 432 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2nut h ARG 432 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2nut h ARG 432 CO 0.86 0.00 -0.16 0.43 -1.07 0.00 0.00 179.97 180.03 2nut n SER 433 N -2.61 0.41 -1.03 7.04 7.64 -1.26 -4.70 113.62 119.10 2nut n SER 433 Ca -0.01 0.21 0.10 0.00 1.01 0.00 0.00 58.87 60.18 2nut n SER 433 Cb 0.13 -0.57 0.26 0.00 -1.01 0.00 0.00 64.21 63.02 2nut n SER 433 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nut n ARG 435 N 1.15 -1.55 -2.24 0.00 5.12 -0.55 -4.95 116.66 113.64 2nut n ARG 435 Ca 0.19 1.08 -0.41 0.00 -1.93 0.00 0.00 57.85 56.79 2nut n ARG 435 Cb 0.49 -5.48 -0.03 0.00 -1.16 0.00 0.00 32.46 26.27 2nut n ARG 435 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2nut s THR 436 N -2.42 3.00 -0.03 0.55 2.01 -1.26 -4.52 115.64 112.97 2nut s THR 436 Ca 0.00 0.99 -0.30 0.00 0.31 0.00 0.00 61.69 62.69 2nut s THR 436 Cb 0.00 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 2nut s THR 436 CO 0.00 0.23 1.28 -0.31 -0.69 0.00 0.00 174.62 175.13 2nut s TYR 437 N -1.06 3.08 0.19 4.92 2.02 -1.26 -0.10 117.35 125.14 2nut s TYR 437 Ca 0.48 1.07 -0.32 0.00 -0.37 0.00 0.00 57.07 57.93 2nut s TYR 437 Cb -0.37 -3.51 -0.15 0.00 -0.40 0.00 0.00 41.96 37.53 2nut s TYR 437 CO 0.48 -1.74 1.23 1.51 -1.57 0.00 0.00 175.55 175.46 2nut n ILE 438 N 4.58 0.88 -4.28 2.71 3.06 -0.73 -4.94 119.36 120.65 2nut n ILE 438 Ca 0.12 -0.22 -0.18 0.00 -2.50 0.00 0.00 62.75 59.96 2nut n ILE 438 Cb 0.45 -1.01 -0.08 0.00 0.54 0.00 0.00 39.64 39.54 2nut n ILE 438 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2nut s ASN 439 N 0.09 1.45 0.54 9.51 4.22 -1.26 -4.78 114.94 124.71 2nut s ASN 439 Ca 0.72 -1.69 0.34 0.00 -2.14 0.00 0.00 52.86 50.09 2nut s ASN 439 Cb -0.80 0.52 1.86 0.00 1.28 0.00 0.00 41.25 44.11 2nut s ASN 439 CO 0.51 -1.02 2.04 -0.65 -2.04 0.00 0.00 177.10 175.94 2nut h PRO 440 N 2.21 0.00 -0.55 3.55 0.11 -1.66 -2.85 132.00 132.82 2nut h PRO 440 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2nut h PRO 440 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2nut h PRO 440 CO 0.40 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.38 2nut n PHE 441 N -2.74 1.05 -1.02 0.65 3.72 -1.26 -4.96 117.46 112.90 2nut n PHE 441 Ca -0.02 -0.59 -0.19 0.00 -0.05 0.00 0.00 57.45 56.60 2nut n PHE 441 Cb 0.10 -0.14 0.16 0.00 -0.94 0.00 0.00 39.48 38.66 2nut n PHE 441 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2nut n VAL 442 N 0.92 0.00 -3.80 -4.37 0.24 -1.08 -4.62 118.33 105.62 2nut n VAL 442 Ca 0.21 -0.39 -0.29 0.00 -2.04 0.00 0.00 64.34 61.84 2nut n VAL 442 Cb 0.71 -1.27 -0.16 0.00 -1.47 0.00 0.00 33.84 31.65 2nut n VAL 442 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2nut s SER 443 N -3.60 3.25 -0.01 -1.34 0.01 -0.84 -4.96 113.70 106.22 2nut s SER 443 Ca 0.47 -0.96 -0.26 0.00 1.31 0.00 0.00 55.95 56.51 2nut s SER 443 Cb -0.04 -0.79 -0.04 0.00 0.21 0.00 0.00 66.02 65.36 2nut s SER 443 CO 0.35 -0.29 0.82 -0.36 0.41 0.00 0.00 173.24 174.18 2nut s PHE 444 N 1.70 3.65 0.00 2.43 0.08 -1.26 -0.65 117.98 123.93 2nut s PHE 444 Ca -0.02 1.48 0.00 0.00 0.12 0.00 0.00 56.93 58.50 2nut s PHE 444 Cb -0.18 -2.92 0.00 0.00 -0.57 0.00 0.00 43.02 39.35 2nut s PHE 444 CO -0.08 0.11 0.00 -0.11 -0.10 0.00 0.00 175.22 175.04 2nut n LEU 445 N 3.54 0.00 -0.39 -0.37 7.94 -1.06 -4.78 117.00 121.87 2nut n LEU 445 Ca 0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 2nut n LEU 445 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 2nut n LEU 445 CO 0.49 -0.04 0.13 0.47 -1.11 0.00 0.00 177.39 177.33 2nut n ASP 446 N -1.11 0.32 0.00 1.96 8.00 -1.24 -4.74 116.55 119.74 2nut n ASP 446 Ca 0.00 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.68 2nut n ASP 446 Cb 0.00 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 2nut n ASP 446 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2nut n GLN 447 N 0.12 -0.86 -0.05 -1.24 7.27 -1.26 -4.00 117.38 117.36 2nut n GLN 447 Ca 0.00 0.08 0.00 0.00 0.07 0.00 0.00 57.00 57.15 2nut n GLN 447 Cb 0.08 -2.82 0.00 0.00 2.41 0.00 0.00 30.24 29.91 2nut n GLN 447 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2nut n ARG 448 N 0.08 0.00 -3.76 3.69 1.74 -1.26 -4.82 116.66 112.33 2nut n ARG 448 Ca 0.00 -0.45 -0.12 0.00 -0.77 0.00 0.00 57.85 56.51 2nut n ARG 448 Cb 0.08 -0.41 -0.12 0.00 -1.02 0.00 0.00 32.46 30.99 2nut n ARG 448 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2nut s ARG 449 N 0.00 0.25 0.02 5.56 0.52 -1.26 -1.28 118.95 122.77 2nut s ARG 449 Ca 0.00 0.44 0.06 0.00 -0.52 0.00 0.00 55.73 55.71 2nut s ARG 449 Cb 0.00 0.02 -0.02 0.00 0.52 0.00 0.00 34.95 35.47 2nut s ARG 449 CO 0.00 -0.10 -0.17 1.67 0.02 0.00 0.00 175.30 176.72 2nut s TRP 450 N 0.67 1.53 -0.19 -0.53 1.48 0.46 -2.57 118.94 119.79 2nut s TRP 450 Ca -0.04 -0.34 -0.14 0.00 -1.06 0.00 0.00 56.10 54.51 2nut s TRP 450 Cb -0.06 -0.93 -0.04 0.00 -1.16 0.00 0.00 33.47 31.28 2nut s TRP 450 CO -0.04 0.04 0.33 0.21 -4.06 0.00 0.00 176.95 173.43 2nut s LYS 451 N -0.92 4.20 0.03 3.25 2.20 0.17 0.64 119.74 129.31 2nut s LYS 451 Ca 0.05 0.11 -0.30 0.00 -0.36 0.00 0.00 55.97 55.47 2nut s LYS 451 Cb -0.08 -3.49 -0.07 0.00 -1.51 0.00 0.00 37.83 32.68 2nut s LYS 451 CO 0.01 0.08 1.60 0.00 -0.36 0.00 0.00 175.35 176.68 2nut n ASN 453 N 5.84 0.00 -0.03 0.00 6.94 -1.26 -1.34 115.26 125.41 2nut n ASN 453 Ca 0.16 -0.36 -0.03 0.00 -0.02 0.00 0.00 54.58 54.32 2nut n ASN 453 Cb 0.42 -0.12 -0.06 0.00 -2.36 0.00 0.00 39.78 37.66 2nut n ASN 453 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2nut n LEU 454 N -1.12 0.00 0.00 -4.53 4.32 -1.26 -4.34 117.00 110.08 2nut n LEU 454 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.12 2nut n LEU 454 Cb 0.10 0.17 0.00 0.00 -1.62 0.00 0.00 43.42 42.07 2nut n LEU 454 CO 0.13 0.17 0.12 0.00 -1.22 0.00 0.00 177.39 176.58 2nut n TYR 456 N -0.13 0.00 -2.17 0.00 4.01 -0.45 -4.99 117.16 113.44 2nut n TYR 456 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.35 2nut n TYR 456 Cb 0.08 -0.65 -0.01 0.00 -0.31 0.00 0.00 39.34 38.45 2nut n TYR 456 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2nut s ARG 457 N -0.38 3.97 -0.08 -0.72 3.52 -1.26 -4.47 118.95 119.53 2nut s ARG 457 Ca 0.00 1.99 -0.20 0.00 -0.13 0.00 0.00 55.73 57.39 2nut s ARG 457 Cb 0.00 -2.69 -0.04 0.00 -1.56 0.00 0.00 34.95 30.66 2nut s ARG 457 CO 0.00 -0.44 0.56 0.08 -0.81 0.00 0.00 175.30 174.70 2nut s VAL 458 N -1.34 5.09 0.25 7.11 1.01 -1.26 -1.23 120.40 130.02 2nut s VAL 458 Ca 0.58 1.15 0.10 0.00 0.00 0.00 0.00 61.98 63.82 2nut s VAL 458 Cb -0.34 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 2nut s VAL 458 CO 0.43 0.33 -0.11 0.20 0.00 0.00 0.00 175.10 175.96 2nut s ASN 459 N 0.47 4.07 -0.34 3.32 0.01 0.21 -4.93 114.94 117.76 2nut s ASN 459 Ca 0.30 -0.79 -0.17 0.00 -0.71 0.00 0.00 52.86 51.49 2nut s ASN 459 Cb -0.17 -0.59 -0.01 0.00 0.41 0.00 0.00 41.25 40.90 2nut s ASN 459 CO 0.14 0.04 0.48 -1.81 -1.51 0.00 0.00 177.10 174.44 2nut s ASP 460 N -3.41 6.30 -0.14 -1.22 1.01 -1.26 -0.40 116.67 117.53 2nut s ASP 460 Ca 0.29 0.00 -0.29 0.00 0.71 0.00 0.00 52.55 53.26 2nut s ASP 460 Cb -0.06 -2.25 -0.05 0.00 1.01 0.00 0.00 42.92 41.57 2nut s ASP 460 CO 0.17 -0.42 1.75 -0.69 0.21 0.00 0.00 175.17 176.19 2nut s VAL 461 N 2.30 3.48 0.58 -1.27 1.01 -0.40 -4.95 120.40 121.15 2nut s VAL 461 Ca 0.17 0.56 -0.19 0.00 0.00 0.00 0.00 61.98 62.52 2nut s VAL 461 Cb -0.16 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 2nut s VAL 461 CO 0.12 -0.16 1.19 -2.16 0.00 0.00 0.00 175.10 174.09 2nut s PRO 462 N 4.71 3.05 -0.82 2.72 0.04 -1.26 -4.86 135.00 138.58 2nut s PRO 462 Ca 0.78 1.77 -0.14 0.00 0.04 0.00 0.00 61.00 63.46 2nut s PRO 462 Cb -0.30 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.19 2nut s PRO 462 CO 0.32 -1.13 1.99 -1.91 0.04 0.00 0.00 177.00 176.31 2nut n GLU 463 N -1.54 1.75 -2.69 4.56 4.07 -1.26 -5.19 120.64 120.34 2nut n GLU 463 Ca 0.13 -1.63 -0.02 0.00 -0.06 0.00 0.00 57.16 55.58 2nut n GLU 463 Cb 0.50 -2.68 0.12 0.00 -0.06 0.00 0.00 31.44 29.32 2nut n GLU 463 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2nut n GLU 464 N 5.64 1.40 0.00 5.31 1.02 -1.26 -5.23 120.64 127.52 2nut n GLU 464 Ca 0.46 -1.46 0.00 0.00 -0.02 0.00 0.00 57.16 56.13 2nut n GLU 464 Cb 0.27 0.21 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 2nut n GLU 464 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2nut n GLU 476 N -1.42 0.00 0.21 3.49 1.02 -1.26 -5.08 120.64 117.60 2nut n GLU 476 Ca -0.15 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.03 2nut n GLU 476 Cb 0.87 0.00 0.44 0.00 -0.02 0.00 0.00 31.44 32.73 2nut n GLU 476 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2nut h PRO 477 N 0.00 0.00 0.00 3.49 0.13 -2.01 -2.41 132.00 131.20 2nut h PRO 477 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2nut h PRO 477 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2nut h PRO 477 CO 0.00 0.27 0.00 -2.39 -0.23 0.00 0.00 178.00 175.65 2nut n HIS 478 N -4.20 0.00 0.81 1.56 1.44 -1.26 -2.10 115.22 111.47 2nut n HIS 478 Ca -0.02 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.79 2nut n HIS 478 Cb 0.32 -0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.36 2nut n HIS 478 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 2nut n ARG 479 N -1.00 0.12 -1.61 -1.40 3.00 -0.91 -4.69 116.66 110.17 2nut n ARG 479 Ca 0.14 -0.03 -0.38 0.00 -0.00 0.00 0.00 57.85 57.59 2nut n ARG 479 Cb 0.07 -1.52 0.05 0.00 0.00 0.00 0.00 32.46 31.07 2nut n ARG 479 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2nut n ARG 480 N -1.66 0.86 -0.22 -0.14 3.00 -0.89 -4.81 116.66 112.80 2nut n ARG 480 Ca 0.03 0.34 0.03 0.00 -0.00 0.00 0.00 57.85 58.25 2nut n ARG 480 Cb 0.38 -2.17 0.29 0.00 0.00 0.00 0.00 32.46 30.95 2nut n ARG 480 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 2nut h PRO 481 N 0.42 0.89 -0.01 -0.14 0.11 -1.93 -1.97 132.00 129.38 2nut h PRO 481 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2nut h PRO 481 Cb 1.37 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2nut h PRO 481 CO 0.50 0.59 0.04 0.93 -0.21 0.00 0.00 178.00 179.85 2nut h GLU 482 N 0.92 0.00 -0.00 1.05 3.07 -1.90 -1.66 114.58 116.06 2nut h GLU 482 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 2nut h GLU 482 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 2nut h GLU 482 CO -0.09 0.00 -0.71 0.28 -1.40 0.00 0.00 179.01 177.09 2nut n VAL 483 N -3.19 0.00 0.77 3.13 0.31 -0.76 -3.75 118.33 114.84 2nut n VAL 483 Ca -0.03 -0.15 0.08 0.00 -0.01 0.00 0.00 64.34 64.23 2nut n VAL 483 Cb 0.11 1.02 -0.09 0.00 -0.91 0.00 0.00 33.84 33.98 2nut n VAL 483 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2nut n GLN 484 N -1.22 1.61 -4.69 5.55 1.13 -0.68 -3.79 117.38 115.30 2nut n GLN 484 Ca 0.04 -0.05 -0.28 0.00 -1.94 0.00 0.00 57.00 54.77 2nut n GLN 484 Cb 0.26 -1.27 -0.17 0.00 0.11 0.00 0.00 30.24 29.17 2nut n GLN 484 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2nut s ASN 485 N -2.51 2.34 0.31 1.08 0.01 -0.88 -4.98 114.94 110.30 2nut s ASN 485 Ca 0.07 -0.41 0.16 0.00 -0.71 0.00 0.00 52.86 51.97 2nut s ASN 485 Cb 0.12 -1.06 0.30 0.00 0.41 0.00 0.00 41.25 41.02 2nut s ASN 485 CO 0.66 0.06 1.55 0.00 -1.51 0.00 0.00 177.10 177.86 2nut h ALA 486 N 7.08 0.78 -3.19 0.60 0.00 -1.89 -3.42 119.26 119.21 2nut h ALA 486 Ca -0.28 -0.43 -0.67 0.00 0.00 0.00 0.00 54.91 53.53 2nut h ALA 486 Cb 1.20 -0.08 -0.31 0.00 0.00 0.00 0.00 17.79 18.60 2nut h ALA 486 CO 0.48 0.60 -0.81 0.99 0.00 0.00 0.00 179.25 180.50 2nut s THR 487 N -3.20 2.61 0.07 0.00 2.01 -1.26 -1.47 115.64 114.40 2nut s THR 487 Ca 0.02 -0.79 -0.23 0.00 0.31 0.00 0.00 61.69 61.00 2nut s THR 487 Cb 0.09 -2.09 0.06 0.00 0.01 0.00 0.00 72.50 70.56 2nut s THR 487 CO 0.72 0.52 0.55 -0.51 -0.69 0.00 0.00 174.62 175.22 2nut s ILE 488 N 0.81 0.02 -0.12 1.82 2.07 -0.73 -4.51 121.20 120.56 2nut s ILE 488 Ca -0.05 -0.17 0.03 0.00 -1.41 0.00 0.00 60.65 59.04 2nut s ILE 488 Cb -0.15 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.45 2nut s ILE 488 CO -0.00 -0.09 -0.20 -0.70 -1.91 0.00 0.00 174.94 172.03 2nut s GLU 489 N -2.74 2.74 0.12 3.50 2.12 0.06 -0.75 118.70 123.74 2nut s GLU 489 Ca -0.04 -0.76 0.02 0.00 0.36 0.00 0.00 54.97 54.56 2nut s GLU 489 Cb -0.00 -2.21 -0.04 0.00 0.26 0.00 0.00 34.13 32.14 2nut s GLU 489 CO -0.04 0.01 0.23 -0.06 -0.54 0.00 0.00 175.26 174.85 2nut s PHE 490 N 0.78 3.43 -0.12 5.30 0.08 0.15 -0.71 117.98 126.89 2nut s PHE 490 Ca -0.09 0.14 -0.21 0.00 0.12 0.00 0.00 56.93 56.89 2nut s PHE 490 Cb -0.16 -1.67 -0.03 0.00 -0.57 0.00 0.00 43.02 40.58 2nut s PHE 490 CO 0.00 0.54 0.61 -1.64 -0.10 0.00 0.00 175.22 174.63 2nut s MET 491 N -2.93 4.34 0.08 0.44 -1.94 -1.05 -1.08 119.30 117.17 2nut s MET 491 Ca 0.34 0.66 -0.28 0.00 -1.71 0.00 0.00 55.69 54.70 2nut s MET 491 Cb -0.12 -3.48 -0.06 0.00 2.01 0.00 0.00 34.83 33.18 2nut s MET 491 CO 0.27 0.00 0.88 0.00 -0.01 0.00 0.00 175.02 176.16 2nut s ALA 492 N 1.08 3.30 0.93 3.03 0.00 -0.67 -4.90 121.76 124.54 2nut s ALA 492 Ca 0.31 0.45 -0.12 0.00 0.00 0.00 0.00 51.96 52.60 2nut s ALA 492 Cb -0.16 -3.16 0.15 0.00 0.00 0.00 0.00 23.12 19.95 2nut s ALA 492 CO 0.13 0.02 1.11 -1.25 0.00 0.00 0.00 175.76 175.76 2nut s PRO 493 N -0.04 0.97 0.51 0.00 0.04 -1.26 -4.82 135.00 130.41 2nut s PRO 493 Ca 0.43 0.52 0.30 0.00 0.04 0.00 0.00 61.00 62.29 2nut s PRO 493 Cb -0.22 -1.80 1.42 0.00 0.04 0.00 0.00 34.50 33.94 2nut s PRO 493 CO 0.27 -2.36 1.86 1.03 0.04 0.00 0.00 177.00 177.84 2nut h SER 494 N -1.63 0.09 0.55 6.66 0.87 -1.97 -1.11 113.55 117.01 2nut h SER 494 Ca -0.52 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 2nut h SER 494 Cb 1.32 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 2nut h SER 494 CO 0.59 0.03 0.00 -0.62 -0.53 0.00 0.00 176.83 176.29 2nut n GLU 495 N -4.31 0.14 -0.86 2.24 4.71 -1.26 -3.38 120.64 117.91 2nut n GLU 495 Ca 0.20 0.12 -0.01 0.00 -0.01 0.00 0.00 57.16 57.47 2nut n GLU 495 Cb 0.98 -1.50 0.30 0.00 -1.01 0.00 0.00 31.44 30.21 2nut n GLU 495 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2nut n TYR 496 N -1.40 2.06 -3.79 -0.32 0.53 -0.42 -4.86 117.16 108.96 2nut n TYR 496 Ca 0.07 -0.91 -0.14 0.00 -1.02 0.00 0.00 57.90 55.91 2nut n TYR 496 Cb 0.20 -0.57 -0.15 0.00 -1.03 0.00 0.00 39.34 37.79 2nut n TYR 496 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2nut s MET 497 N -2.63 0.03 0.04 -0.72 0.23 -1.22 -5.01 119.30 110.02 2nut s MET 497 Ca 0.48 0.21 0.27 0.00 -1.03 0.00 0.00 55.69 55.63 2nut s MET 497 Cb 0.38 -0.15 0.96 0.00 -1.53 0.00 0.00 34.83 34.49 2nut s MET 497 CO 0.13 -0.12 1.76 1.28 -2.03 0.00 0.00 175.02 176.03 2nut n LEU 498 N 3.87 0.28 -3.70 0.18 4.32 -1.26 -4.92 117.00 115.77 2nut n LEU 498 Ca -0.23 0.39 -0.05 0.00 -0.02 0.00 0.00 56.01 56.10 2nut n LEU 498 Cb 0.53 -0.40 -0.02 0.00 -1.62 0.00 0.00 43.42 41.92 2nut n LEU 498 CO 0.21 -0.01 0.70 0.00 -1.22 0.00 0.00 177.39 177.08 2nut s ARG 499 N -3.03 1.14 0.56 3.23 1.70 -1.26 -5.14 118.95 116.15 2nut s ARG 499 Ca 0.12 -0.59 -0.20 0.00 -0.47 0.00 0.00 55.73 54.59 2nut s ARG 499 Cb 0.17 0.41 -0.06 0.00 -0.57 0.00 0.00 34.95 34.91 2nut s ARG 499 CO 0.59 -0.52 1.08 -2.30 -1.08 0.00 0.00 175.30 173.07 2nut n PRO 500 N -0.43 1.18 -1.67 3.89 -0.02 -1.26 -4.79 135.00 131.90 2nut n PRO 500 Ca -0.07 0.44 -0.52 0.00 -2.02 0.00 0.00 63.50 61.34 2nut n PRO 500 Cb 0.61 -2.26 -0.06 0.00 -0.02 0.00 0.00 33.50 31.77 2nut n PRO 500 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2nut n PRO 501 N -0.84 1.60 -2.31 0.52 -0.02 -1.26 -4.91 135.00 127.78 2nut n PRO 501 Ca 0.12 0.58 -0.36 0.00 -2.02 0.00 0.00 63.50 61.82 2nut n PRO 501 Cb 0.45 -2.31 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 2nut n PRO 501 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2nut s GLN 502 N 2.59 3.73 0.76 -0.52 -2.07 -1.26 -4.97 119.66 117.92 2nut s GLN 502 Ca 0.91 1.69 -0.12 0.00 -1.82 0.00 0.00 55.36 56.02 2nut s GLN 502 Cb -0.88 -2.33 0.05 0.00 -1.09 0.00 0.00 33.01 28.76 2nut s GLN 502 CO 0.53 -0.55 1.12 -1.25 -1.32 0.00 0.00 175.29 173.81 2nut s PRO 503 N -2.81 2.42 0.17 9.60 0.04 -1.26 -4.73 135.00 138.43 2nut s PRO 503 Ca 0.65 0.42 -0.30 0.00 0.04 0.00 0.00 61.00 61.80 2nut s PRO 503 Cb -0.26 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.23 2nut s PRO 503 CO 0.32 -1.34 1.07 -1.25 0.04 0.00 0.00 177.00 175.84 2nut s PRO 504 N -5.36 4.62 -0.08 0.56 0.04 -1.26 -4.91 135.00 128.62 2nut s PRO 504 Ca 0.60 1.66 -0.01 0.00 0.04 0.00 0.00 61.00 63.29 2nut s PRO 504 Cb -0.12 -3.30 0.03 0.00 0.04 0.00 0.00 34.50 31.15 2nut s PRO 504 CO 0.52 0.11 -0.02 0.08 0.04 0.00 0.00 177.00 177.73 2nut s VAL 505 N -0.22 0.51 -0.23 -0.36 1.01 -1.26 -0.90 120.40 118.96 2nut s VAL 505 Ca 0.49 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.49 2nut s VAL 505 Cb -0.28 -0.63 0.03 0.00 0.00 0.00 0.00 36.38 35.50 2nut s VAL 505 CO 0.34 0.28 -0.11 -0.31 0.00 0.00 0.00 175.10 175.29 2nut s TYR 506 N 1.80 3.00 -0.18 5.22 2.02 -0.44 -0.34 117.35 128.44 2nut s TYR 506 Ca 0.03 -1.68 -0.00 0.00 -0.37 0.00 0.00 57.07 55.05 2nut s TYR 506 Cb -0.13 -2.00 0.01 0.00 -0.40 0.00 0.00 41.96 39.45 2nut s TYR 506 CO -0.05 -0.77 -0.16 -1.17 -1.57 0.00 0.00 175.55 171.83 2nut s LEU 507 N 1.28 2.37 -0.21 -1.29 2.96 -0.67 -1.02 118.68 122.11 2nut s LEU 507 Ca 0.00 -0.56 -0.08 0.00 -0.22 0.00 0.00 54.13 53.28 2nut s LEU 507 Cb -0.16 -1.55 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 2nut s LEU 507 CO -0.07 0.01 0.08 -0.36 -1.32 0.00 0.00 176.35 174.69 2nut s PHE 508 N 1.23 3.22 -0.21 5.38 0.08 -0.78 -0.93 117.98 125.96 2nut s PHE 508 Ca 0.03 0.00 -0.00 0.00 0.12 0.00 0.00 56.93 57.08 2nut s PHE 508 Cb -0.14 -2.15 0.02 0.00 -0.57 0.00 0.00 43.02 40.19 2nut s PHE 508 CO -0.08 0.03 -0.13 0.08 -0.10 0.00 0.00 175.22 175.02 2nut s VAL 509 N 0.76 2.46 -0.10 -0.44 1.01 0.01 -0.85 120.40 123.24 2nut s VAL 509 Ca 0.04 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.05 2nut s VAL 509 Cb -0.13 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 2nut s VAL 509 CO 0.02 0.37 -0.16 -0.36 0.00 0.00 0.00 175.10 174.97 2nut s PHE 510 N 1.30 2.72 0.10 5.22 2.99 0.11 -1.26 117.98 129.17 2nut s PHE 510 Ca 0.02 -0.58 -0.30 0.00 0.00 0.00 0.00 56.93 56.07 2nut s PHE 510 Cb -0.15 -1.76 -0.06 0.00 0.00 0.00 0.00 43.02 41.05 2nut s PHE 510 CO -0.09 -0.14 1.08 0.34 -0.00 0.00 0.00 175.22 176.41 2nut s ASP 511 N 0.05 7.28 -0.06 1.36 -1.08 -0.74 -1.18 116.67 122.29 2nut s ASP 511 Ca -0.06 1.94 0.12 0.00 -0.52 0.00 0.00 52.55 54.03 2nut s ASP 511 Cb -0.15 -2.59 0.22 0.00 -1.46 0.00 0.00 42.92 38.95 2nut s ASP 511 CO 0.05 -0.26 1.11 1.33 0.52 0.00 0.00 175.17 177.91 2nut n VAL 512 N 3.11 0.81 -0.59 1.11 0.24 -0.46 -4.79 118.33 117.77 2nut n VAL 512 Ca 0.05 -1.26 -0.29 0.00 -2.04 0.00 0.00 64.34 60.79 2nut n VAL 512 Cb 0.48 0.30 0.26 0.00 -1.47 0.00 0.00 33.84 33.41 2nut n VAL 512 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2nut s SER 513 N -2.02 0.17 0.15 -1.34 1.04 -1.26 -4.51 113.70 105.95 2nut s SER 513 Ca 0.21 1.09 -0.18 0.00 0.48 0.00 0.00 55.95 57.54 2nut s SER 513 Cb 0.21 -1.63 0.06 0.00 0.10 0.00 0.00 66.02 64.75 2nut s SER 513 CO -0.04 -4.64 1.67 -0.74 0.98 0.00 0.00 173.24 170.48 2nut h HIS 514 N -2.92 -0.25 -0.07 5.02 -0.00 0.18 0.18 115.15 117.28 2nut h HIS 514 Ca -0.52 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 59.89 2nut h HIS 514 Cb 1.33 0.16 -0.01 0.00 -0.00 0.00 0.00 27.41 28.90 2nut h HIS 514 CO -1.51 -0.18 0.02 -0.97 -0.00 0.00 0.00 177.93 175.30 2nut h ASN 515 N -0.04 0.02 -0.50 3.26 -0.73 -1.91 0.40 115.58 116.08 2nut h ASN 515 Ca 0.16 0.01 0.05 0.00 1.87 0.00 0.00 56.30 58.39 2nut h ASN 515 Cb 0.29 0.01 -0.05 0.00 0.27 0.00 0.00 38.32 38.84 2nut h ASN 515 CO -0.36 0.02 0.24 0.00 -0.37 0.00 0.00 177.43 176.96 2nut h ALA 516 N 1.05 0.63 -0.72 1.57 0.00 -1.76 -0.35 119.26 119.68 2nut h ALA 516 Ca 0.03 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2nut h ALA 516 Cb 0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2nut h ALA 516 CO -0.04 -0.12 0.42 0.28 0.00 0.00 0.00 179.25 179.80 2nut h VAL 517 N 0.47 1.01 0.00 0.00 2.07 -0.31 -1.66 116.25 117.82 2nut h VAL 517 Ca 0.22 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 2nut h VAL 517 Cb 0.15 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 2nut h VAL 517 CO -0.17 0.14 -0.15 -0.08 0.02 0.00 0.00 177.57 177.34 2nut h GLU 518 N 0.78 0.00 0.00 1.57 4.57 0.69 -2.83 114.58 119.36 2nut h GLU 518 Ca 0.31 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.37 2nut h GLU 518 Cb 0.16 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 2nut h GLU 518 CO -0.17 0.15 -0.59 1.79 -1.18 0.00 0.00 179.01 179.01 2nut h THR 519 N 0.00 1.28 -0.07 0.32 1.35 -0.23 -3.44 112.91 112.13 2nut h THR 519 Ca -0.00 -2.12 -0.03 0.00 -0.55 0.00 0.00 66.41 63.71 2nut h THR 519 Cb 0.32 2.19 -0.01 0.00 -1.73 0.00 0.00 68.15 68.92 2nut h THR 519 CO 0.02 0.58 -0.03 0.61 -0.25 0.00 0.00 175.52 176.45 2nut n GLY 520 N 0.44 0.50 0.34 5.82 0.00 -1.07 0.31 105.19 111.52 2nut n GLY 520 Ca -0.01 -0.29 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 2nut n GLY 520 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2nut h TYR 521 N 0.00 1.20 -1.00 1.61 -0.00 -1.87 -3.14 116.97 113.76 2nut h TYR 521 Ca -0.03 -0.09 0.22 0.00 0.00 0.00 0.00 58.73 58.83 2nut h TYR 521 Cb 0.23 -0.36 -0.11 0.00 0.00 0.00 0.00 36.73 36.49 2nut h TYR 521 CO 0.13 0.90 0.61 1.25 -0.00 0.00 0.00 178.16 181.05 2nut h LEU 522 N 1.14 0.71 0.10 0.10 6.46 -1.92 -1.99 115.31 119.91 2nut h LEU 522 Ca 0.26 0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 58.13 2nut h LEU 522 Cb 0.21 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.12 2nut h LEU 522 CO -0.02 0.20 -0.06 0.78 -0.62 0.00 0.00 178.44 178.71 2nut h ASN 523 N 0.66 -0.16 -0.40 1.25 4.21 -1.90 -0.40 115.58 118.85 2nut h ASN 523 Ca 0.60 0.01 -0.05 0.00 1.21 0.00 0.00 56.30 58.07 2nut h ASN 523 Cb 1.07 0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 38.30 2nut h ASN 523 CO -0.40 -0.10 0.06 0.77 -1.29 0.00 0.00 177.43 176.47 2nut h SER 524 N -0.16 0.65 0.08 5.81 4.64 -1.55 -1.24 113.55 121.78 2nut h SER 524 Ca -0.01 -0.27 0.01 0.00 -0.47 0.00 0.00 61.79 61.05 2nut h SER 524 Cb 0.14 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 2nut h SER 524 CO 0.01 0.75 -0.10 0.58 -0.87 0.00 0.00 176.83 177.19 2nut h VAL 525 N 0.52 0.76 -0.80 0.95 2.07 -1.27 0.26 116.25 118.74 2nut h VAL 525 Ca 0.12 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.68 2nut h VAL 525 Cb 0.38 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 2nut h VAL 525 CO 0.01 0.00 0.53 0.00 0.02 0.00 0.00 177.57 178.13 2nut h GLN 527 N 0.99 0.83 -0.25 0.00 5.75 -0.45 -1.50 115.11 120.48 2nut h GLN 527 Ca 0.32 -0.29 -0.14 0.00 -0.15 0.00 0.00 58.65 58.39 2nut h GLN 527 Cb 0.04 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 2nut h GLN 527 CO -0.09 0.90 -0.44 0.77 -2.65 0.00 0.00 178.83 177.32 2nut h SER 528 N 0.74 0.67 0.05 -0.69 0.02 0.44 -2.47 113.55 112.31 2nut h SER 528 Ca 0.12 -0.31 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2nut h SER 528 Cb 0.62 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2nut h SER 528 CO 0.04 1.02 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.66 2nut h LEU 529 N 0.51 -0.05 -0.37 5.07 3.38 -0.85 -2.07 115.31 120.92 2nut h LEU 529 Ca 0.04 -0.20 0.08 0.00 0.09 0.00 0.00 57.88 57.88 2nut h LEU 529 Cb 0.96 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.65 2nut h LEU 529 CO 0.09 0.17 -0.14 -0.07 0.09 0.00 0.00 178.44 178.58 2nut h LEU 530 N -0.28 -0.49 -1.63 1.67 3.38 -1.25 0.34 115.31 117.06 2nut h LEU 530 Ca -0.01 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2nut h LEU 530 Cb 0.25 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2nut h LEU 530 CO 0.01 -0.17 -0.02 0.44 0.09 0.00 0.00 178.44 178.78 2nut h ASP 531 N -0.06 0.18 -0.46 -0.43 3.32 -1.38 -3.05 116.42 114.53 2nut h ASP 531 Ca 0.18 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2nut h ASP 531 Cb 0.34 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2nut h ASP 531 CO -0.42 0.24 0.00 0.59 -1.72 0.00 0.00 179.24 177.94 2nut n ASN 532 N -4.39 3.25 -0.34 6.45 3.02 -0.70 -4.62 115.26 117.93 2nut n ASN 532 Ca -0.01 -1.99 0.13 0.00 -0.03 0.00 0.00 54.58 52.69 2nut n ASN 532 Cb 0.18 -0.31 0.34 0.00 -0.61 0.00 0.00 39.78 39.37 2nut n ASN 532 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2nut h LEU 533 N 2.81 0.76 0.00 3.41 5.85 -0.25 0.21 115.31 128.09 2nut h LEU 533 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2nut h LEU 533 Cb 0.81 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.80 2nut h LEU 533 CO 0.00 0.28 -0.04 0.47 -0.34 0.00 0.00 178.44 178.80 2nut n ASP 534 N -4.73 0.30 -0.02 1.25 8.00 -1.26 -3.62 116.55 116.47 2nut n ASP 534 Ca 0.23 0.48 0.11 0.00 0.71 0.00 0.00 54.79 56.31 2nut n ASP 534 Cb 0.58 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 2nut n ASP 534 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2nut n LEU 535 N -1.76 0.92 -4.70 0.64 4.77 0.69 -4.93 117.00 112.64 2nut n LEU 535 Ca 0.06 -0.39 -0.44 0.00 -0.03 0.00 0.00 56.01 55.22 2nut n LEU 535 Cb 0.37 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.37 2nut n LEU 535 CO 0.29 0.22 1.33 0.18 -1.33 0.00 0.00 177.39 178.08 2nut n LEU 536 N -1.44 3.66 -4.74 2.23 4.77 -0.91 -4.66 117.00 115.92 2nut n LEU 536 Ca 0.05 1.05 -0.42 0.00 -0.03 0.00 0.00 56.01 56.66 2nut n LEU 536 Cb 0.34 -1.51 -0.00 0.00 -2.33 0.00 0.00 43.42 39.91 2nut n LEU 536 CO 0.40 0.01 1.01 -2.65 -1.33 0.00 0.00 177.39 174.83 2nut n PRO 537 N 4.14 2.37 0.00 3.23 -0.02 -1.26 -4.91 135.00 138.55 2nut n PRO 537 Ca 0.17 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 2nut n PRO 537 Cb 0.33 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 2nut n PRO 537 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nut n GLY 538 N 0.62 3.63 0.00 -1.23 0.00 -1.25 -4.92 105.19 102.04 2nut n GLY 538 Ca 0.03 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.46 2nut n GLY 538 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2nut n ASN 539 N 0.00 0.19 0.01 1.61 0.23 -1.21 -4.94 115.26 111.15 2nut n ASN 539 Ca 0.00 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.11 2nut n ASN 539 Cb 0.00 0.00 0.27 0.00 -2.08 0.00 0.00 39.78 37.97 2nut n ASN 539 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2nut n THR 540 N 0.00 1.18 1.22 5.53 -2.24 -1.26 -2.49 114.28 116.22 2nut n THR 540 Ca 0.00 0.31 0.14 0.00 -2.27 0.00 0.00 64.05 62.22 2nut n THR 540 Cb 0.00 -1.12 0.57 0.00 -2.10 0.00 0.00 70.33 67.67 2nut n THR 540 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2nut n ARG 541 N -1.57 0.33 -1.64 -0.78 1.74 -1.26 -4.71 116.66 108.77 2nut n ARG 541 Ca 0.03 -0.09 -0.47 0.00 -0.77 0.00 0.00 57.85 56.54 2nut n ARG 541 Cb 0.14 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.04 2nut n ARG 541 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2nut n THR 542 N -1.26 0.48 -4.68 0.55 -1.04 -1.04 -4.47 114.28 102.83 2nut n THR 542 Ca 0.11 -0.12 -0.29 0.00 -2.04 0.00 0.00 64.05 61.70 2nut n THR 542 Cb 0.30 -1.24 -0.14 0.00 -1.82 0.00 0.00 70.33 67.43 2nut n THR 542 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2nut s LYS 543 N 0.15 1.61 0.00 -2.82 1.02 -0.08 -1.72 119.74 117.90 2nut s LYS 543 Ca 0.75 -1.20 -0.03 0.00 0.02 0.00 0.00 55.97 55.52 2nut s LYS 543 Cb -0.76 -1.91 -0.01 0.00 -0.52 0.00 0.00 37.83 34.64 2nut s LYS 543 CO 0.46 0.48 0.05 -1.50 -0.92 0.00 0.00 175.35 173.92 2nut s ILE 544 N -0.91 0.07 0.25 2.17 2.07 -0.18 -1.32 121.20 123.34 2nut s ILE 544 Ca 0.12 -0.59 -0.10 0.00 -1.41 0.00 0.00 60.65 58.67 2nut s ILE 544 Cb -0.10 -0.28 -0.01 0.00 0.13 0.00 0.00 42.46 42.21 2nut s ILE 544 CO 0.04 -0.32 0.42 -0.83 -1.91 0.00 0.00 174.94 172.33 2nut s GLY 545 N -1.03 0.76 -0.03 1.50 0.00 -0.19 -1.36 107.32 106.97 2nut s GLY 545 Ca -0.11 -1.06 -0.06 0.00 0.00 0.00 0.00 44.72 43.48 2nut s GLY 545 CO 0.00 -0.78 0.14 -1.36 0.00 0.00 0.00 173.10 171.10 2nut s PHE 546 N -3.97 -0.05 -0.06 1.90 0.08 -1.26 -1.87 117.98 112.76 2nut s PHE 546 Ca 0.26 0.11 -0.04 0.00 0.12 0.00 0.00 56.93 57.37 2nut s PHE 546 Cb 0.01 -0.00 0.02 0.00 -0.57 0.00 0.00 43.02 42.47 2nut s PHE 546 CO 0.10 -0.19 0.14 0.42 -0.10 0.00 0.00 175.22 175.60 2nut s ILE 547 N -0.70 -0.01 0.29 0.64 1.01 -0.03 -3.38 121.20 119.03 2nut s ILE 547 Ca -0.08 0.05 0.08 0.00 0.00 0.00 0.00 60.65 60.70 2nut s ILE 547 Cb -0.05 -0.21 -0.06 0.00 0.01 0.00 0.00 42.46 42.15 2nut s ILE 547 CO 0.01 0.02 -0.10 0.42 0.00 0.00 0.00 174.94 175.29 2nut s THR 548 N 0.37 1.92 -0.04 2.92 -4.23 -0.42 0.06 115.64 116.22 2nut s THR 548 Ca -0.02 -2.19 -0.29 0.00 -1.18 0.00 0.00 61.69 58.00 2nut s THR 548 Cb -0.04 -2.44 0.10 0.00 1.34 0.00 0.00 72.50 71.46 2nut s THR 548 CO -0.02 -0.32 0.82 0.72 -0.54 0.00 0.00 174.62 175.29 2nut s PHE 549 N -2.83 -0.47 0.00 3.99 -0.12 -0.33 -0.31 117.98 117.91 2nut s PHE 549 Ca 0.30 0.61 0.00 0.00 -0.05 0.00 0.00 56.93 57.79 2nut s PHE 549 Cb 0.02 0.48 0.00 0.00 -0.63 0.00 0.00 43.02 42.89 2nut s PHE 549 CO 0.13 -0.54 0.00 -0.40 -0.05 0.00 0.00 175.22 174.36 2nut n ASP 550 N 0.36 0.00 0.03 1.98 5.68 -1.26 -1.35 116.55 121.98 2nut n ASP 550 Ca -0.13 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.29 2nut n ASP 550 Cb 0.60 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 41.07 2nut n ASP 550 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2nut n SER 551 N 0.00 0.29 -4.35 -1.12 3.41 -1.20 -0.53 113.62 110.12 2nut n SER 551 Ca 0.00 0.38 -0.18 0.00 -0.26 0.00 0.00 58.87 58.81 2nut n SER 551 Cb 0.00 -0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 63.44 2nut n SER 551 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2nut s THR 552 N -3.03 0.99 -0.24 6.66 -4.23 -1.26 -4.77 115.64 109.76 2nut s THR 552 Ca 0.12 -2.02 -0.08 0.00 -1.18 0.00 0.00 61.69 58.53 2nut s THR 552 Cb 0.17 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 71.49 2nut s THR 552 CO 0.58 -0.21 0.10 -0.63 -0.54 0.00 0.00 174.62 173.93 2nut s ILE 553 N -3.45 4.69 -0.30 2.99 1.01 -0.61 -4.28 121.20 121.25 2nut s ILE 553 Ca 0.32 -0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.87 2nut s ILE 553 Cb 0.07 -3.19 0.02 0.00 0.01 0.00 0.00 42.46 39.37 2nut s ILE 553 CO 0.11 0.34 0.04 -1.00 0.00 0.00 0.00 174.94 174.44 2nut s HIS 554 N 1.36 3.17 0.28 3.97 3.76 0.57 -0.30 115.29 128.11 2nut s HIS 554 Ca 0.06 -1.32 0.01 0.00 -0.15 0.00 0.00 55.06 53.66 2nut s HIS 554 Cb -0.15 -2.20 -0.04 0.00 1.11 0.00 0.00 32.58 31.31 2nut s HIS 554 CO 0.05 -0.67 0.47 -0.06 -0.85 0.00 0.00 174.74 173.68 2nut s PHE 555 N 1.41 3.48 -0.18 1.40 0.08 0.82 -1.30 117.98 123.69 2nut s PHE 555 Ca 0.00 0.29 0.00 0.00 0.12 0.00 0.00 56.93 57.35 2nut s PHE 555 Cb -0.18 -1.83 0.04 0.00 -0.57 0.00 0.00 43.02 40.48 2nut s PHE 555 CO 0.01 0.26 -0.08 0.71 -0.10 0.00 0.00 175.22 176.01 2nut s TYR 556 N -2.12 2.06 0.13 0.36 2.02 -1.22 -0.32 117.35 118.27 2nut s TYR 556 Ca 0.39 -1.33 -0.20 0.00 -0.37 0.00 0.00 57.07 55.56 2nut s TYR 556 Cb -0.10 -1.48 -0.07 0.00 -0.40 0.00 0.00 41.96 39.91 2nut s TYR 556 CO 0.32 -0.68 0.63 0.20 -1.57 0.00 0.00 175.55 174.46 2nut s GLY 557 N 1.51 2.67 -0.19 0.71 0.00 0.13 -4.51 107.32 107.65 2nut s GLY 557 Ca -0.00 0.09 -0.03 0.00 0.00 0.00 0.00 44.72 44.78 2nut s GLY 557 CO -0.08 0.49 0.04 1.08 0.00 0.00 0.00 173.10 174.63 2nut s LEU 558 N -1.42 1.11 -0.04 0.66 1.43 -0.71 -1.06 118.68 118.65 2nut s LEU 558 Ca 0.34 -0.77 0.02 0.00 -1.03 0.00 0.00 54.13 52.70 2nut s LEU 558 Cb -0.19 -0.57 0.01 0.00 0.03 0.00 0.00 46.19 45.47 2nut s LEU 558 CO 0.21 -0.30 -0.09 -1.10 0.23 0.00 0.00 176.35 175.29 2nut s GLN 559 N 1.88 1.11 0.55 1.70 -0.21 -1.26 -4.82 119.66 118.60 2nut s GLN 559 Ca -0.00 -0.31 0.30 0.00 0.02 0.00 0.00 55.36 55.37 2nut s GLN 559 Cb -0.17 -1.01 1.60 0.00 1.00 0.00 0.00 33.01 34.43 2nut s GLN 559 CO -0.08 0.08 2.12 1.49 -2.12 0.00 0.00 175.29 176.78 2nut h GLU 560 N 6.58 0.00 0.00 2.91 4.81 -1.99 -2.01 114.58 124.88 2nut h GLU 560 Ca -0.34 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.81 2nut h GLU 560 Cb 1.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2nut h GLU 560 CO 0.48 0.08 -0.40 0.66 -0.73 0.00 0.00 179.01 179.11 2nut h SER 561 N 0.00 0.00 -3.28 1.04 4.64 -2.00 -3.45 113.55 110.50 2nut h SER 561 Ca -0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 2nut h SER 561 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 2nut h SER 561 CO 0.01 0.40 -0.12 -0.76 -0.87 0.00 0.00 176.83 175.49 2nut s LEU 562 N -7.04 4.06 0.53 5.97 1.43 -0.76 -5.00 118.68 117.87 2nut s LEU 562 Ca 0.00 0.78 0.32 0.00 -1.03 0.00 0.00 54.13 54.20 2nut s LEU 562 Cb 0.11 -3.59 1.24 0.00 0.03 0.00 0.00 46.19 43.98 2nut s LEU 562 CO 0.69 -0.19 1.94 0.28 0.23 0.00 0.00 176.35 179.31 2nut h SER 563 N 1.81 0.00 -4.93 2.29 0.02 -1.87 -3.47 113.55 107.41 2nut h SER 563 Ca -0.47 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 60.54 2nut h SER 563 Cb 1.19 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.61 2nut h SER 563 CO 0.67 0.03 0.35 0.00 -1.14 0.00 0.00 176.83 176.74 2nut s GLN 564 N -3.64 1.18 0.60 3.45 -2.07 -1.26 -5.16 119.66 112.76 2nut s GLN 564 Ca 0.01 -0.51 -0.19 0.00 -1.82 0.00 0.00 55.36 52.85 2nut s GLN 564 Cb 0.09 0.49 -0.03 0.00 -1.09 0.00 0.00 33.01 32.47 2nut s GLN 564 CO 0.56 -0.53 1.25 -1.25 -1.32 0.00 0.00 175.29 174.00 2nut s PRO 565 N -3.48 2.87 -0.16 9.60 0.04 -1.26 -4.85 135.00 137.75 2nut s PRO 565 Ca 0.06 1.93 -0.04 0.00 0.04 0.00 0.00 61.00 62.99 2nut s PRO 565 Cb -0.02 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 2nut s PRO 565 CO -0.06 -1.32 -0.02 1.14 0.04 0.00 0.00 177.00 176.78 2nut s GLN 566 N -3.30 3.72 -0.52 4.56 -2.07 -0.22 -4.92 119.66 116.90 2nut s GLN 566 Ca 0.78 -0.49 -0.20 0.00 -1.82 0.00 0.00 55.36 53.64 2nut s GLN 566 Cb -0.33 -2.96 0.06 0.00 -1.09 0.00 0.00 33.01 28.69 2nut s GLN 566 CO 0.36 0.25 0.67 1.41 -1.32 0.00 0.00 175.29 176.65 2nut s MET 567 N 0.36 3.14 -0.42 9.60 1.75 -1.26 0.21 119.30 132.69 2nut s MET 567 Ca -0.03 -0.86 -0.16 0.00 -1.25 0.00 0.00 55.69 53.39 2nut s MET 567 Cb -0.14 -4.11 0.02 0.00 2.84 0.00 0.00 34.83 33.44 2nut s MET 567 CO 0.03 -1.28 0.38 -0.51 -0.65 0.00 0.00 175.02 172.98 2nut s LEU 568 N 2.78 4.97 -0.31 4.11 1.43 0.56 -4.92 118.68 127.32 2nut s LEU 568 Ca 0.16 -0.78 -0.14 0.00 -1.03 0.00 0.00 54.13 52.35 2nut s LEU 568 Cb -0.19 -2.29 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 2nut s LEU 568 CO 0.12 -0.53 0.30 -0.63 0.23 0.00 0.00 176.35 175.85 2nut s ILE 569 N 1.94 5.22 -0.35 -0.59 -1.09 -1.26 -0.13 121.20 124.95 2nut s ILE 569 Ca 0.09 0.18 -0.14 0.00 -2.23 0.00 0.00 60.65 58.54 2nut s ILE 569 Cb -0.18 -3.70 -0.01 0.00 -1.58 0.00 0.00 42.46 36.99 2nut s ILE 569 CO 0.12 0.07 0.32 -0.69 -1.23 0.00 0.00 174.94 173.53 2nut s VAL 570 N 1.92 5.21 -1.63 2.92 1.01 0.59 -4.94 120.40 125.48 2nut s VAL 570 Ca 0.11 -0.09 0.22 0.00 0.00 0.00 0.00 61.98 62.22 2nut s VAL 570 Cb -0.16 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 2nut s VAL 570 CO 0.11 -0.09 1.01 -1.54 0.00 0.00 0.00 175.10 174.59 2nut n SER 571 N 5.29 1.64 -4.54 3.32 3.41 -1.26 -1.58 113.62 119.90 2nut n SER 571 Ca -0.10 -1.32 -0.43 0.00 -0.26 0.00 0.00 58.87 56.76 2nut n SER 571 Cb 0.49 0.67 -0.01 0.00 -0.26 0.00 0.00 64.21 65.11 2nut n SER 571 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2nut s ASP 572 N -2.65 6.78 0.52 4.04 -1.08 -1.26 -4.84 116.67 118.18 2nut s ASP 572 Ca 0.14 -2.27 0.25 0.00 -0.52 0.00 0.00 52.55 50.15 2nut s ASP 572 Cb 0.17 -2.52 1.37 0.00 -1.46 0.00 0.00 42.92 40.48 2nut s ASP 572 CO 0.68 -1.16 1.97 0.40 0.52 0.00 0.00 175.17 177.59 2nut h ILE 573 N 5.72 0.72 -0.37 4.11 1.08 -1.91 -2.37 117.51 124.49 2nut h ILE 573 Ca 0.33 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.79 2nut h ILE 573 Cb 0.92 0.67 0.00 0.00 -3.07 0.00 0.00 36.82 35.34 2nut h ILE 573 CO 1.37 0.01 0.00 -0.62 -0.69 0.00 0.00 178.15 178.22 2nut n GLU 574 N -4.37 2.05 -2.72 2.37 4.71 -1.26 -4.55 120.64 116.87 2nut n GLU 574 Ca 0.11 -1.62 -0.07 0.00 -0.01 0.00 0.00 57.16 55.57 2nut n GLU 574 Cb 0.64 -1.40 0.06 0.00 -1.01 0.00 0.00 31.44 29.74 2nut n GLU 574 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 2nut n ASP 575 N 0.82 -2.39 -4.72 1.62 2.03 -0.89 -5.15 116.55 107.87 2nut n ASP 575 Ca 0.17 -2.96 -0.31 0.00 0.52 0.00 0.00 54.79 52.20 2nut n ASP 575 Cb 0.41 1.58 0.13 0.00 -0.72 0.00 0.00 41.12 42.52 2nut n ASP 575 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2nut s VAL 576 N 0.47 2.73 0.16 5.18 -7.23 -1.23 -4.89 120.40 115.60 2nut s VAL 576 Ca 0.29 0.24 -0.24 0.00 -1.81 0.00 0.00 61.98 60.45 2nut s VAL 576 Cb 0.24 -2.51 0.06 0.00 0.56 0.00 0.00 36.38 34.73 2nut s VAL 576 CO -0.18 -0.31 0.79 0.72 -0.31 0.00 0.00 175.10 175.81 2nut s PHE 577 N -2.79 -0.29 -0.33 2.82 -0.12 -1.26 -5.02 117.98 110.99 2nut s PHE 577 Ca 0.64 -0.00 -0.20 0.00 -0.05 0.00 0.00 56.93 57.31 2nut s PHE 577 Cb -0.20 0.62 -0.00 0.00 -0.63 0.00 0.00 43.02 42.81 2nut s PHE 577 CO 0.57 -0.90 0.63 0.42 -0.05 0.00 0.00 175.22 175.89 2nut s ILE 578 N -3.56 4.91 0.39 -4.49 -1.09 -1.26 -4.95 121.20 111.16 2nut s ILE 578 Ca 0.08 0.72 0.23 0.00 -2.23 0.00 0.00 60.65 59.45 2nut s ILE 578 Cb -0.03 -4.04 0.24 0.00 -1.58 0.00 0.00 42.46 37.06 2nut s ILE 578 CO -0.02 -0.23 2.01 1.55 -1.23 0.00 0.00 174.94 177.01 2nut h PRO 579 N 8.33 0.00 -4.13 2.79 0.13 -2.00 -3.44 132.00 133.68 2nut h PRO 579 Ca -0.27 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.64 2nut h PRO 579 Cb 1.11 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.01 2nut h PRO 579 CO 0.82 0.17 -0.72 1.41 -0.23 0.00 0.00 178.00 179.45 2nut s MET 580 N -4.22 0.32 0.36 0.86 1.75 -1.26 -5.06 119.30 112.06 2nut s MET 580 Ca -0.03 -0.48 0.22 0.00 -1.25 0.00 0.00 55.69 54.15 2nut s MET 580 Cb 0.13 -0.09 0.22 0.00 2.84 0.00 0.00 34.83 37.94 2nut s MET 580 CO 0.63 0.01 1.45 -1.00 -0.65 0.00 0.00 175.02 175.45 2nut h PRO 581 N 5.07 0.00 -4.65 4.11 0.13 -2.05 -3.47 132.00 131.14 2nut h PRO 581 Ca -0.31 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.57 2nut h PRO 581 Cb 1.21 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.19 2nut h PRO 581 CO 0.44 0.07 -0.66 -2.00 -0.23 0.00 0.00 178.00 175.62 2nut s GLU 582 N -3.21 1.03 -0.42 0.86 2.12 -1.26 -4.91 118.70 112.92 2nut s GLU 582 Ca 0.05 -1.49 0.00 0.00 0.36 0.00 0.00 54.97 53.88 2nut s GLU 582 Cb 0.06 -0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.38 2nut s GLU 582 CO 0.71 -0.18 0.00 0.09 -0.54 0.00 0.00 175.26 175.34 2nut n ASN 583 N -0.18 -4.38 -0.13 -1.70 3.02 -1.26 -4.86 115.26 105.76 2nut n ASN 583 Ca -0.06 0.10 -0.26 0.00 -0.03 0.00 0.00 54.58 54.32 2nut n ASN 583 Cb 0.63 -2.23 -0.11 0.00 -0.61 0.00 0.00 39.78 37.46 2nut n ASN 583 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2nut n LEU 584 N -0.45 2.19 -4.26 3.41 4.77 -1.26 -1.74 117.00 119.66 2nut n LEU 584 Ca -0.04 0.24 -0.43 0.00 -0.03 0.00 0.00 56.01 55.75 2nut n LEU 584 Cb 0.28 -0.87 -0.07 0.00 -2.33 0.00 0.00 43.42 40.43 2nut n LEU 584 CO 0.06 0.63 0.06 -0.76 -1.33 0.00 0.00 177.39 176.05 2nut s LEU 585 N -7.33 5.95 0.20 2.23 1.43 -1.26 -4.30 118.68 115.60 2nut s LEU 585 Ca -0.36 -1.87 0.04 0.00 -1.03 0.00 0.00 54.13 50.92 2nut s LEU 585 Cb 0.12 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 2nut s LEU 585 CO 0.54 -0.77 0.28 0.68 0.23 0.00 0.00 176.35 177.31 2nut s VAL 586 N 1.46 5.06 -0.18 -1.59 -7.23 -0.47 -4.81 120.40 112.65 2nut s VAL 586 Ca 0.05 -0.96 -0.29 0.00 -1.81 0.00 0.00 61.98 58.96 2nut s VAL 586 Cb -0.28 -3.68 -0.02 0.00 0.56 0.00 0.00 36.38 32.96 2nut s VAL 586 CO 0.01 -0.23 1.35 0.21 -0.31 0.00 0.00 175.10 176.13 2nut s ASN 587 N -3.60 6.82 0.13 4.85 3.84 -1.26 -1.01 114.94 124.71 2nut s ASN 587 Ca 0.34 1.69 -0.19 0.00 0.21 0.00 0.00 52.86 54.90 2nut s ASN 587 Cb -0.10 -2.54 -0.05 0.00 -0.55 0.00 0.00 41.25 38.02 2nut s ASN 587 CO 0.27 -0.87 1.78 0.25 -2.79 0.00 0.00 177.10 175.74 2nut h LEU 588 N 10.12 0.24 0.26 3.21 5.85 -1.67 -0.07 115.31 133.26 2nut h LEU 588 Ca -0.29 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.44 2nut h LEU 588 Cb 1.12 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 2nut h LEU 588 CO 0.98 0.17 -0.31 -1.13 -0.34 0.00 0.00 178.44 177.81 2nut h ASN 589 N 0.29 -0.86 -0.67 1.25 -0.00 -1.84 0.22 115.58 113.97 2nut h ASN 589 Ca 0.09 0.08 -0.04 0.00 -0.00 0.00 0.00 56.30 56.43 2nut h ASN 589 Cb -0.02 0.30 -0.03 0.00 -0.00 0.00 0.00 38.32 38.58 2nut h ASN 589 CO -0.03 -0.43 0.25 -0.33 -0.00 0.00 0.00 177.43 176.89 2nut h GLU 590 N -0.62 1.04 -0.49 6.67 5.08 -1.89 -3.23 114.58 121.13 2nut h GLU 590 Ca -0.00 -0.19 -0.20 0.00 -1.00 0.00 0.00 59.36 57.97 2nut h GLU 590 Cb 0.59 -0.17 -0.12 0.00 0.50 0.00 0.00 28.75 29.55 2nut h GLU 590 CO -0.10 0.86 0.11 0.43 -1.00 0.00 0.00 179.01 179.31 2nut n SER 591 N -4.28 3.33 -0.21 1.42 7.64 -0.05 -4.76 113.62 116.71 2nut n SER 591 Ca 0.06 -3.50 -0.04 0.00 1.01 0.00 0.00 58.87 56.40 2nut n SER 591 Cb 0.19 -0.66 0.03 0.00 -1.01 0.00 0.00 64.21 62.75 2nut n SER 591 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2nut h LYS 592 N 1.41 -0.11 -0.90 1.43 1.63 -0.58 -1.12 116.57 118.32 2nut h LYS 592 Ca 0.25 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 60.08 2nut h LYS 592 Cb 1.91 0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 33.51 2nut h LYS 592 CO 0.52 -0.08 0.60 0.93 -3.45 0.00 0.00 179.45 177.97 2nut h GLU 593 N -0.12 1.14 -0.05 1.90 4.39 -1.86 -0.44 114.58 119.55 2nut h GLU 593 Ca 0.26 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.77 2nut h GLU 593 Cb 0.54 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 2nut h GLU 593 CO -0.68 0.75 -0.52 -0.07 -1.16 0.00 0.00 179.01 177.34 2nut h LEU 594 N 1.17 0.15 0.05 1.33 3.38 -1.61 -2.20 115.31 117.59 2nut h LEU 594 Ca 0.35 -0.08 -0.26 0.00 0.09 0.00 0.00 57.88 57.98 2nut h LEU 594 Cb -0.05 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 40.68 2nut h LEU 594 CO -0.09 0.64 -1.05 0.58 0.09 0.00 0.00 178.44 178.61 2nut h VAL 595 N 0.11 1.31 -0.59 1.22 2.07 -0.75 -2.96 116.25 116.65 2nut h VAL 595 Ca 0.00 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.21 2nut h VAL 595 Cb 0.95 2.56 -0.03 0.00 -1.52 0.00 0.00 31.29 33.25 2nut h VAL 595 CO 0.07 0.70 0.38 1.56 0.02 0.00 0.00 177.57 180.31 2nut h GLN 596 N 0.25 0.79 -0.93 1.57 4.20 -1.02 -1.44 115.11 118.54 2nut h GLN 596 Ca -0.15 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.51 2nut h GLN 596 Cb 1.72 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 29.28 2nut h GLN 596 CO 0.20 0.54 0.57 -0.44 -0.67 0.00 0.00 178.83 179.04 2nut h ASP 597 N 0.80 1.10 -0.05 1.46 3.32 -1.45 -2.35 116.42 119.26 2nut h ASP 597 Ca 0.22 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 2nut h ASP 597 Cb -0.06 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.21 2nut h ASP 597 CO -0.04 0.83 0.03 0.25 -1.72 0.00 0.00 179.24 178.58 2nut h LEU 598 N 1.27 0.07 -2.05 1.55 5.85 -1.26 -1.86 115.31 118.87 2nut h LEU 598 Ca 0.33 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.96 2nut h LEU 598 Cb -0.08 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 40.93 2nut h LEU 598 CO -0.07 0.16 0.04 -0.07 -0.34 0.00 0.00 178.44 178.16 2nut h LEU 599 N -0.03 0.00 -0.16 2.25 3.38 -1.08 0.56 115.31 120.23 2nut h LEU 599 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2nut h LEU 599 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2nut h LEU 599 CO -0.00 0.00 -0.18 0.11 0.09 0.00 0.00 178.44 178.45 2nut h LYS 600 N 0.00 0.00 0.05 1.13 1.57 -0.99 -3.36 116.57 114.97 2nut h LYS 600 Ca 0.02 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.44 2nut h LYS 600 Cb 0.10 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 2nut h LYS 600 CO -0.00 0.18 -2.16 2.41 -0.57 0.00 0.00 179.45 179.31 2nut n THR 601 N -3.16 1.61 -0.20 -0.16 -1.04 -0.00 -4.62 114.28 106.72 2nut n THR 601 Ca 0.03 -0.68 -0.03 0.00 -2.04 0.00 0.00 64.05 61.33 2nut n THR 601 Cb 0.58 -1.36 0.04 0.00 -1.82 0.00 0.00 70.33 67.77 2nut n THR 601 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2nut h LEU 602 N 0.03 -0.83 0.00 -4.42 3.38 -1.19 -1.44 115.31 110.83 2nut h LEU 602 Ca -0.47 0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2nut h LEU 602 Cb 2.02 0.46 0.00 0.00 0.09 0.00 0.00 40.66 43.23 2nut h LEU 602 CO 0.02 -0.26 0.01 -2.65 0.09 0.00 0.00 178.44 175.65 2nut n PRO 603 N -5.43 0.00 -0.00 1.13 -0.02 -1.26 -2.02 135.00 127.39 2nut n PRO 603 Ca 0.06 0.15 0.02 0.00 -2.02 0.00 0.00 63.50 61.71 2nut n PRO 603 Cb 0.34 -1.51 -0.02 0.00 -0.02 0.00 0.00 33.50 32.29 2nut n PRO 603 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2nut n GLN 604 N -1.14 4.96 0.15 -0.52 6.02 -0.55 -4.71 117.38 121.59 2nut n GLN 604 Ca 0.00 -0.01 0.13 0.00 -0.01 0.00 0.00 57.00 57.11 2nut n GLN 604 Cb 0.01 -0.73 0.43 0.00 1.02 0.00 0.00 30.24 30.97 2nut n GLN 604 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 2nut h MET 605 N 0.00 0.00 0.00 -1.09 2.86 -1.35 -3.32 114.93 112.02 2nut h MET 605 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2nut h MET 605 Cb 0.09 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 2nut h MET 605 CO 0.00 0.00 -0.25 1.19 1.06 0.00 0.00 176.91 178.91 2nut n PHE 606 N -2.45 0.00 -0.12 -0.22 3.72 -1.26 -4.85 117.46 112.28 2nut n PHE 606 Ca 0.04 -0.92 -0.05 0.00 -0.05 0.00 0.00 57.45 56.48 2nut n PHE 606 Cb 0.37 -0.15 0.03 0.00 -0.94 0.00 0.00 39.48 38.79 2nut n PHE 606 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 2nut h THR 607 N 1.75 0.72 -0.95 4.37 2.02 -1.86 -2.78 112.91 116.19 2nut h THR 607 Ca -0.01 -0.04 -0.48 0.00 0.77 0.00 0.00 66.41 66.65 2nut h THR 607 Cb 1.12 0.59 -0.29 0.00 -1.74 0.00 0.00 68.15 67.83 2nut h THR 607 CO 0.01 0.02 0.61 2.29 0.37 0.00 0.00 175.52 178.82 2nut n LYS 608 N -5.17 2.34 -2.35 6.66 2.85 -1.26 -4.99 118.16 116.23 2nut n LYS 608 Ca 0.03 -2.92 -0.35 0.00 -1.05 0.00 0.00 58.31 54.02 2nut n LYS 608 Cb 0.20 -2.15 -0.01 0.00 -0.65 0.00 0.00 35.03 32.42 2nut n LYS 608 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2nut s THR 609 N -3.17 3.37 -0.20 0.58 2.01 -1.05 -4.97 115.64 112.22 2nut s THR 609 Ca 0.55 0.85 0.02 0.00 0.31 0.00 0.00 61.69 63.42 2nut s THR 609 Cb 0.46 -3.34 0.03 0.00 0.01 0.00 0.00 72.50 69.66 2nut s THR 609 CO 0.11 -0.19 0.76 -0.11 -0.69 0.00 0.00 174.62 174.50 2nut n LEU 610 N -1.20 1.56 -4.64 4.42 0.00 -1.26 -4.68 117.00 111.20 2nut n LEU 610 Ca 0.11 -1.41 -0.43 0.00 0.00 0.00 0.00 56.01 54.28 2nut n LEU 610 Cb 0.51 -0.02 -0.03 0.00 0.00 0.00 0.00 43.42 43.89 2nut n LEU 610 CO 0.41 0.38 1.51 -1.61 0.00 0.00 0.00 177.39 178.08 2nut s GLU 611 N -0.50 3.82 -0.03 1.96 0.41 -1.26 -4.84 118.70 118.26 2nut s GLU 611 Ca 0.03 2.02 0.19 0.00 -0.41 0.00 0.00 54.97 56.80 2nut s GLU 611 Cb 0.02 -4.12 -0.29 0.00 -1.78 0.00 0.00 34.13 27.96 2nut s GLU 611 CO 0.02 -1.29 0.42 0.25 -0.49 0.00 0.00 175.26 174.17 2nut n THR 612 N 6.30 0.00 -3.59 3.63 -2.24 -1.26 0.85 114.28 117.97 2nut n THR 612 Ca 0.21 -0.43 -0.35 0.00 -2.27 0.00 0.00 64.05 61.21 2nut n THR 612 Cb 0.44 0.07 -0.05 0.00 -2.10 0.00 0.00 70.33 68.69 2nut n THR 612 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2nut s GLN 613 N -3.31 3.75 -0.22 -0.78 -0.21 -1.26 -4.86 119.66 112.77 2nut s GLN 613 Ca -0.07 0.15 0.01 0.00 0.02 0.00 0.00 55.36 55.48 2nut s GLN 613 Cb 0.12 -3.00 0.05 0.00 1.00 0.00 0.00 33.01 31.17 2nut s GLN 613 CO 0.79 0.57 -0.11 0.45 -2.12 0.00 0.00 175.29 174.86 2nut s SER 614 N -1.76 3.71 -1.25 5.90 0.15 -1.26 -3.22 113.70 115.97 2nut s SER 614 Ca 0.33 -1.03 -0.08 0.00 0.70 0.00 0.00 55.95 55.86 2nut s SER 614 Cb -0.14 -1.35 0.18 0.00 -1.71 0.00 0.00 66.02 63.01 2nut s SER 614 CO 0.18 -0.15 1.87 0.00 1.20 0.00 0.00 173.24 176.34 2nut n ALA 615 N 4.60 5.50 -0.10 5.45 0.00 0.31 -2.55 120.51 133.73 2nut n ALA 615 Ca -0.15 -4.37 -0.09 0.00 0.00 0.00 0.00 53.44 48.83 2nut n ALA 615 Cb 0.45 -2.86 -0.02 0.00 0.00 0.00 0.00 19.45 17.02 2nut n ALA 615 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2nut h LEU 616 N 7.26 0.41 -0.36 0.00 5.85 -1.85 -2.69 115.31 123.92 2nut h LEU 616 Ca 0.40 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 59.08 2nut h LEU 616 Cb 0.59 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 2nut h LEU 616 CO 1.57 0.40 -0.05 1.23 -0.34 0.00 0.00 178.44 181.25 2nut h GLY 617 N 0.39 0.30 1.21 3.75 0.00 -1.82 -0.74 103.07 106.16 2nut h GLY 617 Ca 0.11 0.09 -0.10 0.00 0.00 0.00 0.00 47.33 47.43 2nut h GLY 617 CO -0.02 -0.12 -0.08 -2.55 0.00 0.00 0.00 176.54 173.78 2nut h PRO 618 N 0.04 0.94 -0.78 4.80 0.11 -1.70 -2.16 132.00 133.25 2nut h PRO 618 Ca 0.18 -0.32 -0.03 0.00 0.11 0.00 0.00 66.00 65.94 2nut h PRO 618 Cb 0.26 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.26 2nut h PRO 618 CO -0.34 0.97 0.35 0.00 -0.21 0.00 0.00 178.00 178.78 2nut h ALA 619 N 1.06 1.16 -0.27 -0.75 0.00 -1.12 -1.09 119.26 118.25 2nut h ALA 619 Ca 0.14 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2nut h ALA 619 Cb 0.61 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2nut h ALA 619 CO 0.04 0.63 -0.24 -0.07 0.00 0.00 0.00 179.25 179.61 2nut h LEU 620 N 1.11 0.50 -0.53 0.00 3.38 -0.93 0.01 115.31 118.86 2nut h LEU 620 Ca 0.27 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 2nut h LEU 620 Cb 0.14 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2nut h LEU 620 CO -0.03 0.74 -0.11 1.56 0.09 0.00 0.00 178.44 180.68 2nut h GLN 621 N 0.45 1.01 -0.38 1.13 4.20 -0.79 -0.51 115.11 120.21 2nut h GLN 621 Ca 0.07 -0.38 -0.10 0.00 0.06 0.00 0.00 58.65 58.29 2nut h GLN 621 Cb 0.65 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 2nut h GLN 621 CO 0.05 1.06 -0.16 0.00 -0.67 0.00 0.00 178.83 179.11 2nut h ALA 622 N 0.92 0.53 -0.94 3.87 0.00 -0.95 -0.61 119.26 122.08 2nut h ALA 622 Ca 0.14 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.72 2nut h ALA 622 Cb 0.68 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2nut h ALA 622 CO 0.05 0.45 0.62 0.00 0.00 0.00 0.00 179.25 180.37 2nut h ALA 623 N 0.81 1.21 0.08 0.00 0.00 -0.89 -0.06 119.26 120.40 2nut h ALA 623 Ca 0.09 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2nut h ALA 623 Cb 0.70 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2nut h ALA 623 CO 0.05 0.55 -0.04 0.35 0.00 0.00 0.00 179.25 180.16 2nut h PHE 624 N 1.24 -0.10 -0.86 0.00 3.57 -0.66 -1.66 116.94 118.47 2nut h PHE 624 Ca 0.35 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.93 2nut h PHE 624 Cb -0.10 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.61 2nut h PHE 624 CO -0.01 -0.00 0.52 0.87 -2.23 0.00 0.00 178.31 177.46 2nut h LYS 625 N -0.17 0.88 -0.78 1.11 1.57 -0.65 0.45 116.57 118.97 2nut h LYS 625 Ca -0.01 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2nut h LYS 625 Cb 0.14 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 2nut h LYS 625 CO 0.02 0.58 0.36 1.25 -0.57 0.00 0.00 179.45 181.09 2nut h LEU 626 N 0.91 1.03 0.00 2.94 5.85 -0.70 -3.12 115.31 122.20 2nut h LEU 626 Ca 0.40 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2nut h LEU 626 Cb 0.28 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2nut h LEU 626 CO -0.21 0.88 -0.95 0.23 -0.34 0.00 0.00 178.44 178.05 2nut n MET 627 N -4.31 0.31 -0.31 1.25 2.81 -0.65 -4.51 117.12 111.70 2nut n MET 627 Ca 0.07 0.02 0.18 0.00 -1.81 0.00 0.00 57.70 56.16 2nut n MET 627 Cb 0.15 -1.62 0.36 0.00 -0.71 0.00 0.00 33.22 31.40 2nut n MET 627 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2nut h SER 628 N 0.00 0.09 -0.48 7.83 0.87 -0.07 0.49 113.55 122.27 2nut h SER 628 Ca 0.00 0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 2nut h SER 628 Cb 0.75 0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.95 2nut h SER 628 CO 0.00 -0.21 0.24 -0.65 -0.53 0.00 0.00 176.83 175.68 2nut h PRO 629 N 0.19 0.73 0.00 2.24 0.11 -1.79 -3.37 132.00 130.12 2nut h PRO 629 Ca 0.63 -0.09 -0.17 0.00 0.11 0.00 0.00 66.00 66.48 2nut h PRO 629 Cb 1.38 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 2nut h PRO 629 CO -0.69 0.58 -1.62 0.25 -0.21 0.00 0.00 178.00 176.31 2nut n THR 630 N -4.36 0.63 -0.11 -1.15 -2.24 -0.73 -5.13 114.28 101.17 2nut n THR 630 Ca 0.04 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2nut n THR 630 Cb 0.14 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.51 2nut n THR 630 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nut n GLY 631 N 2.79 -3.64 0.00 3.38 0.00 0.08 -4.90 105.19 102.91 2nut n GLY 631 Ca -0.18 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.87 2nut n GLY 631 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nut n GLY 632 N -0.22 0.98 3.31 -0.02 0.00 -0.21 -4.62 105.19 104.41 2nut n GLY 632 Ca 0.00 -1.89 -0.35 0.00 0.00 0.00 0.00 46.02 43.78 2nut n GLY 632 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2nut s ARG 633 N -1.99 3.38 -0.23 1.61 3.52 0.54 -1.79 118.95 123.99 2nut s ARG 633 Ca 0.00 -0.63 -0.11 0.00 -0.13 0.00 0.00 55.73 54.86 2nut s ARG 633 Cb 0.00 -3.02 -0.05 0.00 -1.56 0.00 0.00 34.95 30.32 2nut s ARG 633 CO 0.00 -0.20 0.19 1.41 -0.81 0.00 0.00 175.30 175.89 2nut s MET 634 N 1.48 4.10 -0.37 5.12 -2.45 -0.12 -1.66 119.30 125.40 2nut s MET 634 Ca 0.06 -0.20 -0.05 0.00 -1.25 0.00 0.00 55.69 54.24 2nut s MET 634 Cb -0.14 -3.53 0.07 0.00 1.25 0.00 0.00 34.83 32.48 2nut s MET 634 CO -0.03 0.07 0.14 -1.12 1.05 0.00 0.00 175.02 175.13 2nut s SER 635 N 0.99 5.30 -0.17 1.11 0.01 -0.11 -0.94 113.70 119.89 2nut s SER 635 Ca 0.09 -1.46 -0.08 0.00 1.31 0.00 0.00 55.95 55.82 2nut s SER 635 Cb -0.13 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.19 2nut s SER 635 CO 0.04 -0.41 0.10 -0.69 0.41 0.00 0.00 173.24 172.69 2nut s VAL 636 N 1.32 5.13 -0.24 3.43 1.01 -0.27 -0.81 120.40 129.96 2nut s VAL 636 Ca 0.01 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.07 2nut s VAL 636 Cb -0.21 -3.30 0.03 0.00 0.00 0.00 0.00 36.38 32.90 2nut s VAL 636 CO 0.00 0.49 -0.09 -0.36 0.00 0.00 0.00 175.10 175.15 2nut s PHE 637 N 0.01 3.07 0.02 5.22 0.08 -0.39 -0.37 117.98 125.63 2nut s PHE 637 Ca 0.08 -1.74 0.06 0.00 0.12 0.00 0.00 56.93 55.45 2nut s PHE 637 Cb -0.12 -2.01 -0.02 0.00 -0.57 0.00 0.00 43.02 40.30 2nut s PHE 637 CO 0.00 -0.78 -0.18 -1.14 -0.10 0.00 0.00 175.22 173.03 2nut s GLN 638 N 1.27 1.28 0.00 0.44 2.00 -0.32 -1.79 119.66 122.54 2nut s GLN 638 Ca -0.01 -0.74 0.00 0.00 -2.00 0.00 0.00 55.36 52.60 2nut s GLN 638 Cb -0.17 -1.30 0.00 0.00 0.80 0.00 0.00 33.01 32.34 2nut s GLN 638 CO -0.06 0.34 0.57 0.25 -0.50 0.00 0.00 175.29 175.90 2nut n THR 639 N 2.24 0.21 -3.87 -0.34 -2.24 -1.26 -0.64 114.28 108.38 2nut n THR 639 Ca -0.16 -0.56 -0.08 0.00 -2.27 0.00 0.00 64.05 60.98 2nut n THR 639 Cb 0.54 0.96 -0.01 0.00 -2.10 0.00 0.00 70.33 69.72 2nut n THR 639 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nut s GLN 640 N -0.21 1.91 0.21 -0.78 -2.07 -1.26 -3.88 119.66 113.58 2nut s GLN 640 Ca 0.00 -1.18 -0.31 0.00 -1.82 0.00 0.00 55.36 52.05 2nut s GLN 640 Cb 0.00 0.60 -0.10 0.00 -1.09 0.00 0.00 33.01 32.41 2nut s GLN 640 CO 0.00 -0.87 1.53 -1.17 -1.32 0.00 0.00 175.29 173.46 2nut s LEU 641 N -2.99 4.37 0.10 2.60 0.20 -1.26 -4.90 118.68 116.80 2nut s LEU 641 Ca 0.14 2.69 -0.30 0.00 0.69 0.00 0.00 54.13 57.35 2nut s LEU 641 Cb -0.05 -3.61 -0.06 0.00 -0.43 0.00 0.00 46.19 42.04 2nut s LEU 641 CO 0.09 -0.80 1.11 -2.84 -0.29 0.00 0.00 176.35 173.63 2nut s PRO 642 N 0.36 4.53 0.00 0.98 0.02 -1.26 -4.71 135.00 134.92 2nut s PRO 642 Ca 0.65 1.67 0.00 0.00 0.02 0.00 0.00 61.00 63.35 2nut s PRO 642 Cb -0.44 -3.34 0.00 0.00 0.02 0.00 0.00 34.50 30.74 2nut s PRO 642 CO 0.38 -0.07 0.12 0.25 -0.33 0.00 0.00 177.00 177.35 2nut n THR 643 N 3.29 0.00 -5.19 0.99 -2.24 -1.05 -0.97 114.28 109.10 2nut n THR 643 Ca 0.06 -0.18 -0.32 0.00 -2.27 0.00 0.00 64.05 61.34 2nut n THR 643 Cb 0.47 1.42 -0.16 0.00 -2.10 0.00 0.00 70.33 69.96 2nut n THR 643 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2nut s LEU 644 N -0.25 2.17 0.00 3.22 2.96 -1.18 -4.84 118.68 120.76 2nut s LEU 644 Ca 0.00 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.42 2nut s LEU 644 Cb 0.00 -1.41 0.00 0.00 0.50 0.00 0.00 46.19 45.28 2nut s LEU 644 CO 0.00 0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.86 2nut n GLY 645 N 3.09 -2.02 3.76 7.98 0.00 -1.26 -4.24 105.19 112.50 2nut n GLY 645 Ca -0.18 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 2nut n GLY 645 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nut s VAL 646 N 0.00 2.68 0.00 1.61 -7.23 -1.26 -2.58 120.40 113.62 2nut s VAL 646 Ca 0.00 0.45 0.00 0.00 -1.81 0.00 0.00 61.98 60.62 2nut s VAL 646 Cb 0.00 -3.19 0.00 0.00 0.56 0.00 0.00 36.38 33.75 2nut s VAL 646 CO 0.00 -0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.33 2nut n GLY 647 N 0.49 0.57 3.77 2.32 0.00 -1.26 -3.67 105.19 107.41 2nut n GLY 647 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2nut n GLY 647 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nut s ALA 648 N -2.09 3.30 0.02 4.61 0.00 -1.07 -4.67 121.76 121.87 2nut s ALA 648 Ca 0.00 1.00 0.08 0.00 0.00 0.00 0.00 51.96 53.05 2nut s ALA 648 Cb 0.00 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 2nut s ALA 648 CO 0.00 -0.44 -0.25 -0.51 0.00 0.00 0.00 175.76 174.56 2nut s LEU 649 N -2.05 2.13 0.38 0.00 1.43 -0.14 -4.97 118.68 115.45 2nut s LEU 649 Ca 0.52 -0.54 -0.24 0.00 -1.03 0.00 0.00 54.13 52.84 2nut s LEU 649 Cb -0.33 -1.24 -0.10 0.00 0.03 0.00 0.00 46.19 44.55 2nut s LEU 649 CO 0.42 0.26 0.96 -0.54 0.23 0.00 0.00 176.35 177.68 2nut s LYS 650 N -1.02 4.36 0.87 1.70 -0.14 -1.26 -4.71 119.74 119.53 2nut s LYS 650 Ca 0.10 1.27 -0.11 0.00 -1.36 0.00 0.00 55.97 55.88 2nut s LYS 650 Cb -0.10 -2.49 0.12 0.00 -1.68 0.00 0.00 37.83 33.68 2nut s LYS 650 CO 0.01 0.08 1.11 -2.14 -0.76 0.00 0.00 175.35 173.65 2nut s PRO 651 N -2.60 1.44 -0.02 -1.68 0.02 -1.26 -4.92 135.00 125.98 2nut s PRO 651 Ca 0.57 1.26 -0.08 0.00 0.02 0.00 0.00 61.00 62.76 2nut s PRO 651 Cb -0.15 -1.80 0.01 0.00 0.02 0.00 0.00 34.50 32.58 2nut s PRO 651 CO 0.20 -2.24 0.18 0.50 -0.33 0.00 0.00 177.00 175.30 2nut s ARG 652 N -4.78 0.45 -0.20 5.54 3.52 -1.26 -5.13 118.95 117.09 2nut s ARG 652 Ca 0.64 -0.21 -0.22 0.00 -0.13 0.00 0.00 55.73 55.82 2nut s ARG 652 Cb -0.20 0.19 -0.02 0.00 -1.56 0.00 0.00 34.95 33.36 2nut s ARG 652 CO 0.57 -0.10 0.69 -2.00 -0.81 0.00 0.00 175.30 173.65 2nut s GLU 653 N -1.02 4.21 0.38 5.12 2.12 -1.26 -4.94 118.70 123.32 2nut s GLU 653 Ca -0.11 0.72 -0.27 0.00 0.36 0.00 0.00 54.97 55.66 2nut s GLU 653 Cb -0.06 -3.59 -0.10 0.00 0.26 0.00 0.00 34.13 30.64 2nut s GLU 653 CO 0.02 -0.31 1.40 -1.21 -0.54 0.00 0.00 175.26 174.62 2nut s GLU 654 N 2.12 4.08 0.53 4.30 0.41 -1.26 -5.01 118.70 123.86 2nut s GLU 654 Ca 0.31 2.39 -0.09 0.00 -0.41 0.00 0.00 54.97 57.17 2nut s GLU 654 Cb -0.16 -2.91 0.13 0.00 -1.78 0.00 0.00 34.13 29.41 2nut s GLU 654 CO 0.10 -0.49 0.50 -2.30 -0.49 0.00 0.00 175.26 172.58 2nut n PRO 655 N 0.38 -1.77 -3.95 0.39 -0.02 -1.26 -5.07 135.00 123.70 2nut n PRO 655 Ca 0.02 -0.80 -0.10 0.00 -2.02 0.00 0.00 63.50 60.61 2nut n PRO 655 Cb 0.41 -0.71 -0.06 0.00 -0.02 0.00 0.00 33.50 33.12 2nut n PRO 655 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2nut s ASN 656 N -2.86 -0.03 0.64 2.55 2.20 -1.26 -4.96 114.94 111.22 2nut s ASN 656 Ca 0.32 -0.85 0.23 0.00 -0.94 0.00 0.00 52.86 51.62 2nut s ASN 656 Cb -0.03 0.49 1.20 0.00 -2.00 0.00 0.00 41.25 40.91 2nut s ASN 656 CO 0.24 -0.97 1.67 1.12 -2.94 0.00 0.00 177.10 176.22 2nut h HIS 657 N 2.43 0.00 0.34 1.54 2.07 -1.78 -2.52 115.15 117.23 2nut h HIS 657 Ca -0.30 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.20 2nut h HIS 657 Cb 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 2nut h HIS 657 CO 0.39 0.00 -0.16 -0.09 -3.07 0.00 0.00 177.93 174.99 2nut h ARG 658 N 0.00 -0.44 -6.01 5.12 2.43 -1.87 -3.43 114.38 110.18 2nut h ARG 658 Ca 0.10 0.03 -0.75 0.00 -0.81 0.00 0.00 59.98 58.55 2nut h ARG 658 Cb 1.27 0.10 0.07 0.00 -0.42 0.00 0.00 29.97 30.99 2nut h ARG 658 CO -0.00 -0.29 -0.13 -1.13 -1.51 0.00 0.00 179.97 176.91 2nut n SER 659 N -5.08 -0.39 -2.69 -3.80 3.41 -0.95 -4.97 113.62 99.15 2nut n SER 659 Ca -0.06 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 2nut n SER 659 Cb 0.18 -0.94 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 2nut n SER 659 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2nut n SER 660 N 1.68 0.00 -4.26 4.04 3.41 -1.26 -4.89 113.62 112.33 2nut n SER 660 Ca 0.19 -0.23 -0.43 0.00 -0.26 0.00 0.00 58.87 58.13 2nut n SER 660 Cb 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 2nut n SER 660 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nut n ALA 661 N -3.00 4.38 -3.08 7.33 0.00 -1.26 -5.10 120.51 119.78 2nut n ALA 661 Ca 0.00 -4.28 -0.21 0.00 0.00 0.00 0.00 53.44 48.95 2nut n ALA 661 Cb 0.00 -3.01 -0.03 0.00 0.00 0.00 0.00 19.45 16.41 2nut n ALA 661 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2nut n LYS 662 N 4.97 1.77 0.00 0.00 5.02 -1.26 -4.50 118.16 124.16 2nut n LYS 662 Ca 0.37 -3.89 0.00 0.00 -2.02 0.00 0.00 58.31 52.77 2nut n LYS 662 Cb 0.40 -1.88 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 2nut n LYS 662 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2nut n MET 666 N 0.08 0.00 -2.01 1.97 2.81 -1.26 -5.12 117.12 113.59 2nut n MET 666 Ca 0.27 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.87 2nut n MET 666 Cb 0.57 0.00 0.05 0.00 -0.71 0.00 0.00 33.22 33.13 2nut n MET 666 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2nut s THR 667 N 0.00 3.23 0.43 2.03 -4.23 -1.26 -4.82 115.64 111.02 2nut s THR 667 Ca 0.00 0.26 -0.24 0.00 -1.18 0.00 0.00 61.69 60.54 2nut s THR 667 Cb 0.00 -3.37 -0.08 0.00 1.34 0.00 0.00 72.50 70.39 2nut s THR 667 CO 0.00 -0.46 1.15 -2.84 -0.54 0.00 0.00 174.62 171.92 2nut s PRO 668 N -5.31 3.91 0.20 3.99 0.02 -1.26 -4.71 135.00 131.85 2nut s PRO 668 Ca 0.58 1.75 0.25 0.00 0.02 0.00 0.00 61.00 63.60 2nut s PRO 668 Cb -0.11 -2.51 0.59 0.00 0.02 0.00 0.00 34.50 32.49 2nut s PRO 668 CO 0.50 -0.41 1.58 0.77 -0.33 0.00 0.00 177.00 179.11 2nut h SER 669 N 2.30 0.00 -5.01 2.53 0.02 -1.94 -3.47 113.55 107.98 2nut h SER 669 Ca -0.49 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 60.39 2nut h SER 669 Cb 1.24 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.68 2nut h SER 669 CO 0.61 0.04 0.20 0.28 -1.14 0.00 0.00 176.83 176.82 2nut s THR 670 N -3.14 0.00 -2.29 -2.27 -1.32 -1.26 -5.05 115.64 100.32 2nut s THR 670 Ca 0.09 -0.34 0.21 0.00 -1.21 0.00 0.00 61.69 60.43 2nut s THR 670 Cb 0.12 -1.33 0.37 0.00 -1.51 0.00 0.00 72.50 70.15 2nut s THR 670 CO 0.65 -0.01 1.33 -0.90 -2.21 0.00 0.00 174.62 173.48 2nut n ASP 671 N -0.40 3.26 -0.11 8.08 5.75 -1.26 -4.62 116.55 127.25 2nut n ASP 671 Ca -0.13 -1.95 -0.06 0.00 -0.01 0.00 0.00 54.79 52.64 2nut n ASP 671 Cb 0.63 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 2nut n ASP 671 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2nut h PHE 672 N 4.10 -0.62 0.00 2.11 3.57 -1.96 0.43 116.94 124.58 2nut h PHE 672 Ca 0.00 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 2nut h PHE 672 Cb 0.92 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 2nut h PHE 672 CO 0.21 -0.31 -0.39 1.88 -2.23 0.00 0.00 178.31 177.47 2nut h TYR 673 N -0.17 0.00 -0.01 0.41 0.05 -1.84 -0.35 116.97 115.06 2nut h TYR 673 Ca 0.19 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.96 2nut h TYR 673 Cb 0.47 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.21 2nut h TYR 673 CO -0.46 0.39 -0.01 -0.22 -1.05 0.00 0.00 178.16 176.81 2nut h LYS 674 N 0.00 0.02 -0.93 4.88 3.64 -1.61 0.16 116.57 122.73 2nut h LYS 674 Ca -0.00 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2nut h LYS 674 Cb 0.79 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.56 2nut h LYS 674 CO 0.05 0.56 0.61 0.87 -2.27 0.00 0.00 179.45 179.27 2nut h LYS 675 N -0.52 1.16 -0.46 1.90 1.57 -0.80 -0.16 116.57 119.25 2nut h LYS 675 Ca 0.00 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 2nut h LYS 675 Cb 0.56 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2nut h LYS 675 CO 0.00 0.77 0.07 1.25 -0.57 0.00 0.00 179.45 180.97 2nut h LEU 676 N 1.19 0.74 -1.28 2.94 5.85 -1.03 -1.83 115.31 121.89 2nut h LEU 676 Ca 0.36 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 2nut h LEU 676 Cb -0.04 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 2nut h LEU 676 CO -0.11 0.82 0.25 0.00 -0.34 0.00 0.00 178.44 179.06 2nut h ALA 677 N 0.95 1.44 -0.24 1.25 0.00 -0.28 -1.16 119.26 121.22 2nut h ALA 677 Ca 0.14 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 2nut h ALA 677 Cb 0.40 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2nut h ALA 677 CO 0.01 0.44 -0.33 -0.07 0.00 0.00 0.00 179.25 179.30 2nut h LEU 678 N 0.75 0.54 -0.12 0.00 3.38 -0.65 -1.37 115.31 117.84 2nut h LEU 678 Ca 0.19 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2nut h LEU 678 Cb 0.08 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2nut h LEU 678 CO -0.02 0.83 0.01 0.44 0.09 0.00 0.00 178.44 179.79 2nut h ASP 679 N 0.44 0.19 -0.49 -0.43 5.19 -0.52 -2.45 116.42 118.36 2nut h ASP 679 Ca 0.05 -0.29 0.07 0.00 -0.62 0.00 0.00 57.03 56.24 2nut h ASP 679 Cb 0.79 -0.05 -0.06 0.00 0.18 0.00 0.00 39.33 40.20 2nut h ASP 679 CO 0.06 0.43 0.17 0.00 -3.12 0.00 0.00 179.24 176.79 2nut h SER 681 N 0.35 0.63 0.65 0.00 0.87 -1.08 0.11 113.55 115.06 2nut h SER 681 Ca 0.24 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 2nut h SER 681 Cb 0.25 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2nut h SER 681 CO -0.24 0.35 0.00 1.23 -0.53 0.00 0.00 176.83 177.63 2nut h GLY 682 N 0.74 0.00 -1.97 5.77 0.00 -0.95 -2.27 103.07 104.39 2nut h GLY 682 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2nut h GLY 682 CO -0.27 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.21 2nut n GLN 683 N -2.47 2.95 -3.17 4.80 1.13 -0.13 -4.96 117.38 115.53 2nut n GLN 683 Ca 0.01 -2.41 -0.19 0.00 -1.94 0.00 0.00 57.00 52.47 2nut n GLN 683 Cb 0.21 -1.48 0.05 0.00 0.11 0.00 0.00 30.24 29.12 2nut n GLN 683 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2nut n GLN 684 N 0.87 -5.39 -4.00 -1.09 1.13 -0.86 -3.76 117.38 104.28 2nut n GLN 684 Ca 0.18 0.69 -0.35 0.00 -1.94 0.00 0.00 57.00 55.59 2nut n GLN 684 Cb 0.58 -5.22 -0.14 0.00 0.11 0.00 0.00 30.24 25.57 2nut n GLN 684 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2nut s VAL 685 N -3.17 3.47 -0.08 5.09 1.01 0.18 -1.04 120.40 125.86 2nut s VAL 685 Ca 0.38 -0.46 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 2nut s VAL 685 Cb -0.17 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 2nut s VAL 685 CO 0.47 0.43 0.07 0.00 0.00 0.00 0.00 175.10 176.07 2nut s ALA 686 N 1.32 3.59 -0.23 5.51 0.00 -0.74 -3.61 121.76 127.59 2nut s ALA 686 Ca 0.04 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.25 2nut s ALA 686 Cb -0.14 -1.69 0.04 0.00 0.00 0.00 0.00 23.12 21.33 2nut s ALA 686 CO -0.02 0.63 -0.14 0.08 0.00 0.00 0.00 175.76 176.31 2nut s VAL 687 N -1.02 2.20 -0.15 0.00 1.01 -1.26 -0.95 120.40 120.23 2nut s VAL 687 Ca 0.17 -1.29 -0.13 0.00 0.00 0.00 0.00 61.98 60.73 2nut s VAL 687 Cb -0.12 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 2nut s VAL 687 CO 0.06 0.23 0.27 -1.81 0.00 0.00 0.00 175.10 173.85 2nut s ASP 688 N 1.20 6.43 -0.20 3.32 1.01 -0.12 -3.73 116.67 124.59 2nut s ASP 688 Ca -0.02 0.51 -0.04 0.00 0.71 0.00 0.00 52.55 53.70 2nut s ASP 688 Cb -0.17 -2.17 -0.02 0.00 1.01 0.00 0.00 42.92 41.58 2nut s ASP 688 CO -0.08 0.15 -0.03 -0.22 0.21 0.00 0.00 175.17 175.20 2nut s LEU 689 N 0.20 3.05 -0.41 1.23 2.96 0.28 -1.12 118.68 124.87 2nut s LEU 689 Ca 0.16 -0.29 -0.07 0.00 -0.22 0.00 0.00 54.13 53.70 2nut s LEU 689 Cb -0.13 -1.77 0.09 0.00 0.50 0.00 0.00 46.19 44.88 2nut s LEU 689 CO 0.04 0.04 0.23 -0.36 -1.32 0.00 0.00 176.35 174.98 2nut s PHE 690 N 1.15 3.40 -0.32 5.38 0.08 0.50 0.19 117.98 128.37 2nut s PHE 690 Ca 0.02 -1.81 -0.11 0.00 0.12 0.00 0.00 56.93 55.15 2nut s PHE 690 Cb -0.15 -3.01 -0.02 0.00 -0.57 0.00 0.00 43.02 39.28 2nut s PHE 690 CO 0.00 -0.89 0.20 -1.17 -0.10 0.00 0.00 175.22 173.26 2nut s LEU 691 N 1.34 4.32 -0.45 -0.37 2.96 0.57 -1.18 118.68 125.87 2nut s LEU 691 Ca 0.04 -0.43 0.05 0.00 -0.22 0.00 0.00 54.13 53.56 2nut s LEU 691 Cb -0.23 -2.08 0.42 0.00 0.50 0.00 0.00 46.19 44.80 2nut s LEU 691 CO -0.00 -0.21 1.18 0.18 -1.32 0.00 0.00 176.35 176.18 2nut n LEU 692 N 5.05 4.93 -4.82 -0.68 4.32 0.18 -0.55 117.00 125.43 2nut n LEU 692 Ca -0.13 -5.13 -0.36 0.00 -0.02 0.00 0.00 56.01 50.36 2nut n LEU 692 Cb 0.50 -0.48 -0.06 0.00 -1.62 0.00 0.00 43.42 41.75 2nut n LEU 692 CO 0.35 2.19 0.39 -0.94 -1.22 0.00 0.00 177.39 178.17 2nut s SER 693 N -3.39 7.04 0.05 -1.43 1.04 -1.25 -4.23 113.70 111.52 2nut s SER 693 Ca 0.49 1.38 0.23 0.00 0.48 0.00 0.00 55.95 58.52 2nut s SER 693 Cb 0.40 -2.40 -0.03 0.00 0.10 0.00 0.00 66.02 64.09 2nut s SER 693 CO -0.17 0.05 0.94 0.61 0.98 0.00 0.00 173.24 175.65 2nut n GLY 694 N 0.79 -1.19 3.28 7.32 0.00 -1.26 -1.69 105.19 112.45 2nut n GLY 694 Ca -0.03 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 2nut n GLY 694 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nut s GLN 695 N -3.24 1.17 -0.00 1.61 -0.21 -1.26 -4.74 119.66 112.99 2nut s GLN 695 Ca 0.02 -1.53 -0.39 0.00 0.02 0.00 0.00 55.36 53.47 2nut s GLN 695 Cb 0.14 -0.66 -0.19 0.00 1.00 0.00 0.00 33.01 33.30 2nut s GLN 695 CO 0.82 0.03 1.22 0.98 -2.12 0.00 0.00 175.29 176.22 2nut n TYR 696 N -0.28 1.08 -1.32 0.91 9.36 -1.26 -4.76 117.16 120.88 2nut n TYR 696 Ca -0.08 0.89 0.04 0.00 3.32 0.00 0.00 57.90 62.06 2nut n TYR 696 Cb 0.62 -2.20 0.05 0.00 -0.63 0.00 0.00 39.34 37.18 2nut n TYR 696 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2nut n SER 697 N 2.16 1.07 -3.61 2.98 7.64 -1.26 -4.23 113.62 118.37 2nut n SER 697 Ca 0.20 -2.27 -0.23 0.00 1.01 0.00 0.00 58.87 57.58 2nut n SER 697 Cb 0.12 -0.24 0.04 0.00 -1.01 0.00 0.00 64.21 63.12 2nut n SER 697 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2nut n ASP 698 N -0.58 -3.43 0.29 6.43 -0.08 -1.26 -4.57 116.55 113.36 2nut n ASP 698 Ca 0.06 -0.86 0.15 0.00 -1.51 0.00 0.00 54.79 52.62 2nut n ASP 698 Cb 0.60 -4.07 0.87 0.00 2.34 0.00 0.00 41.12 40.87 2nut n ASP 698 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2nut h LEU 699 N -1.73 0.00 -1.80 -2.67 5.85 -1.95 -1.67 115.31 111.34 2nut h LEU 699 Ca -0.63 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.15 2nut h LEU 699 Cb 1.35 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 2nut h LEU 699 CO 0.52 0.04 0.24 0.00 -0.34 0.00 0.00 178.44 178.89 2nut h ALA 700 N 1.96 2.02 0.09 1.25 0.00 -1.89 0.15 119.26 122.84 2nut h ALA 700 Ca -0.00 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.54 2nut h ALA 700 Cb 0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2nut h ALA 700 CO 0.00 -0.09 -1.99 0.43 0.00 0.00 0.00 179.25 177.61 2nut n SER 701 N -4.48 2.07 -0.05 0.00 7.64 -0.68 -4.27 113.62 113.85 2nut n SER 701 Ca 0.04 0.19 -0.04 0.00 1.01 0.00 0.00 58.87 60.07 2nut n SER 701 Cb 0.25 -0.82 0.17 0.00 -1.01 0.00 0.00 64.21 62.80 2nut n SER 701 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2nut h LEU 702 N -0.09 0.64 -2.08 -3.43 3.38 -1.18 -3.02 115.31 109.54 2nut h LEU 702 Ca -0.44 -0.19 0.10 0.00 0.09 0.00 0.00 57.88 57.43 2nut h LEU 702 Cb 1.92 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 2nut h LEU 702 CO 0.02 0.81 0.31 1.23 0.09 0.00 0.00 178.44 180.90 2nut h GLY 703 N 0.97 0.00 1.06 0.83 0.00 -0.90 -2.08 103.07 102.96 2nut h GLY 703 Ca 0.10 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.53 2nut h GLY 703 CO 0.04 0.00 0.40 0.00 0.00 0.00 0.00 176.54 176.97 2nut h ILE 705 N 0.40 0.93 0.07 0.00 6.09 -1.48 -2.70 117.51 120.82 2nut h ILE 705 Ca 0.27 -0.17 -0.35 0.00 -1.37 0.00 0.00 64.86 63.24 2nut h ILE 705 Cb 0.54 0.38 -0.03 0.00 0.47 0.00 0.00 36.82 38.18 2nut h ILE 705 CO -0.07 0.09 -2.00 -1.20 -3.07 0.00 0.00 178.15 171.90 2nut n SER 706 N -4.48 1.68 -0.01 2.19 7.64 -0.49 -3.89 113.62 116.27 2nut n SER 706 Ca 0.10 0.21 -0.10 0.00 1.01 0.00 0.00 58.87 60.09 2nut n SER 706 Cb 0.32 -0.51 -0.05 0.00 -1.01 0.00 0.00 64.21 62.96 2nut n SER 706 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2nut h ARG 707 N 0.04 0.04 -0.00 1.43 3.08 -1.17 0.40 114.38 118.19 2nut h ARG 707 Ca -0.41 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.63 2nut h ARG 707 Cb 2.03 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.07 2nut h ARG 707 CO 0.06 0.03 -0.16 0.66 -1.07 0.00 0.00 179.97 179.49 2nut n TYR 708 N -5.11 0.00 0.26 3.04 4.01 -1.04 -1.27 117.16 117.04 2nut n TYR 708 Ca -0.04 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.76 2nut n TYR 708 Cb 0.07 -0.35 0.11 0.00 -0.31 0.00 0.00 39.34 38.86 2nut n TYR 708 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2nut n SER 709 N -1.37 2.55 -0.87 7.72 3.41 -1.17 -4.06 113.62 119.84 2nut n SER 709 Ca 0.09 -1.74 -0.09 0.00 -0.26 0.00 0.00 58.87 56.86 2nut n SER 709 Cb 0.32 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.13 2nut n SER 709 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nut n ALA 710 N 0.77 -0.20 -1.58 7.33 0.00 -0.99 -3.98 120.51 121.86 2nut n ALA 710 Ca 0.11 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2nut n ALA 710 Cb 0.39 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2nut n ALA 710 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nut n GLY 711 N -1.44 0.98 3.39 0.00 0.00 0.09 -4.64 105.19 103.57 2nut n GLY 711 Ca -0.10 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 43.99 2nut n GLY 711 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2nut s SER 712 N -1.00 -0.06 -0.07 1.61 0.01 -1.24 -4.66 113.70 108.29 2nut s SER 712 Ca 0.00 -0.72 0.03 0.00 1.31 0.00 0.00 55.95 56.57 2nut s SER 712 Cb 0.00 0.48 -0.02 0.00 0.21 0.00 0.00 66.02 66.69 2nut s SER 712 CO 0.00 -0.93 -0.16 0.68 0.41 0.00 0.00 173.24 173.24 2nut s VAL 713 N -3.93 2.89 -0.09 3.43 -7.23 -1.26 -0.56 120.40 113.65 2nut s VAL 713 Ca 0.14 -0.77 0.04 0.00 -1.81 0.00 0.00 61.98 59.58 2nut s VAL 713 Cb 0.02 -2.14 -0.00 0.00 0.56 0.00 0.00 36.38 34.82 2nut s VAL 713 CO -0.02 0.57 -0.23 -0.31 -0.31 0.00 0.00 175.10 174.80 2nut s TYR 714 N -0.35 2.42 -0.04 2.82 2.02 0.13 -4.97 117.35 119.38 2nut s TYR 714 Ca 0.03 -0.93 0.06 0.00 -0.37 0.00 0.00 57.07 55.86 2nut s TYR 714 Cb -0.12 -1.62 -0.01 0.00 -0.40 0.00 0.00 41.96 39.81 2nut s TYR 714 CO 0.02 -0.36 -0.23 -0.47 -1.57 0.00 0.00 175.55 172.95 2nut s TYR 715 N 0.26 2.16 -0.46 2.71 5.04 -1.26 -0.32 117.35 125.48 2nut s TYR 715 Ca -0.15 -0.58 0.04 0.00 -2.44 0.00 0.00 57.07 53.94 2nut s TYR 715 Cb -0.17 -1.42 0.17 0.00 0.35 0.00 0.00 41.96 40.89 2nut s TYR 715 CO 0.07 -0.16 0.35 0.71 -1.34 0.00 0.00 175.55 175.19 2nut s TYR 716 N -0.21 1.52 0.10 4.97 2.02 0.28 -4.97 117.35 121.06 2nut s TYR 716 Ca -0.00 -2.45 -0.35 0.00 -0.37 0.00 0.00 57.07 53.89 2nut s TYR 716 Cb -0.12 -1.26 -0.14 0.00 -0.40 0.00 0.00 41.96 40.03 2nut s TYR 716 CO 0.02 -0.78 1.55 -0.35 -1.57 0.00 0.00 175.55 174.43 2nut n PRO 717 N 2.81 1.85 -3.82 -1.71 -0.04 -1.26 -2.40 135.00 130.43 2nut n PRO 717 Ca 0.26 0.67 -0.29 0.00 -0.04 0.00 0.00 63.50 64.09 2nut n PRO 717 Cb 0.44 -2.41 0.03 0.00 -0.04 0.00 0.00 33.50 31.52 2nut n PRO 717 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2nut n SER 718 N 3.60 -4.87 -4.75 3.54 7.64 -0.68 -4.91 113.62 113.20 2nut n SER 718 Ca 0.18 -0.72 -0.42 0.00 1.01 0.00 0.00 58.87 58.93 2nut n SER 718 Cb 0.26 -3.89 -0.01 0.00 -1.01 0.00 0.00 64.21 59.55 2nut n SER 718 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nut n TYR 719 N -4.63 2.88 -3.66 1.43 9.36 -1.01 -4.71 117.16 116.83 2nut n TYR 719 Ca 0.03 0.26 -0.06 0.00 3.32 0.00 0.00 57.90 61.45 2nut n TYR 719 Cb 0.53 -2.60 -0.07 0.00 -0.63 0.00 0.00 39.34 36.57 2nut n TYR 719 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 2nut s HIS 720 N -0.06 -1.01 0.52 2.98 2.46 -1.26 -4.76 115.29 114.15 2nut s HIS 720 Ca 0.63 1.95 0.27 0.00 0.47 0.00 0.00 55.06 58.39 2nut s HIS 720 Cb -0.49 0.57 1.39 0.00 -0.13 0.00 0.00 32.58 33.92 2nut s HIS 720 CO 0.49 -0.52 1.92 1.12 -2.47 0.00 0.00 174.74 175.29 2nut h HIS 721 N 7.38 0.08 0.00 3.88 2.07 -0.44 -1.69 115.15 126.43 2nut h HIS 721 Ca -0.27 0.00 -0.26 0.00 -2.85 0.00 0.00 60.37 56.99 2nut h HIS 721 Cb 1.18 -0.02 -0.04 0.00 2.57 0.00 0.00 27.41 31.09 2nut h HIS 721 CO 0.14 0.02 -1.87 1.04 -3.07 0.00 0.00 177.93 174.19 2nut n GLN 722 N -4.34 0.33 0.23 5.12 6.02 -1.26 -4.73 117.38 118.75 2nut n GLN 722 Ca 0.16 0.15 0.08 0.00 -0.01 0.00 0.00 57.00 57.37 2nut n GLN 722 Cb 0.80 -1.06 0.56 0.00 1.02 0.00 0.00 30.24 31.56 2nut n GLN 722 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2nut h HIS 723 N -0.56 0.00 -2.19 1.08 3.86 -1.96 -3.35 115.15 112.02 2nut h HIS 723 Ca -0.40 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.22 2nut h HIS 723 Cb 1.34 0.00 -0.42 0.00 1.06 0.00 0.00 27.41 29.39 2nut h HIS 723 CO -0.05 0.21 -0.63 -1.71 0.86 0.00 0.00 177.93 176.60 2nut n ASN 724 N -3.95 3.64 0.34 2.45 2.85 -0.64 -4.91 115.26 115.04 2nut n ASN 724 Ca -0.02 -3.43 0.16 0.00 -0.11 0.00 0.00 54.58 51.18 2nut n ASN 724 Cb 0.29 -0.65 0.85 0.00 1.24 0.00 0.00 39.78 41.50 2nut n ASN 724 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2nut h PRO 725 N 3.99 0.00 0.14 1.20 0.13 -1.78 -2.10 132.00 133.58 2nut h PRO 725 Ca 0.18 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.13 2nut h PRO 725 Cb 0.65 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.81 2nut h PRO 725 CO 0.81 0.00 -0.80 0.28 -0.23 0.00 0.00 178.00 178.06 2nut h VAL 726 N 0.00 1.52 0.00 1.56 2.07 -1.93 -3.11 116.25 116.35 2nut h VAL 726 Ca 0.00 -2.53 -0.04 0.00 0.82 0.00 0.00 66.70 64.95 2nut h VAL 726 Cb 0.62 3.21 -0.01 0.00 -1.52 0.00 0.00 31.29 33.59 2nut h VAL 726 CO 0.00 0.71 -0.20 1.56 0.02 0.00 0.00 177.57 179.66 2nut h GLN 727 N -0.39 0.00 0.03 1.57 1.08 -1.77 -2.10 115.11 113.53 2nut h GLN 727 Ca -0.14 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.06 2nut h GLN 727 Cb 1.62 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.06 2nut h GLN 727 CO 0.15 0.20 -0.02 0.28 -0.95 0.00 0.00 178.83 178.49 2nut h VAL 728 N 0.00 1.21 -0.05 -0.54 2.07 -1.52 -1.63 116.25 115.78 2nut h VAL 728 Ca -0.00 -0.77 -0.11 0.00 0.82 0.00 0.00 66.70 66.63 2nut h VAL 728 Cb 0.58 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 2nut h VAL 728 CO 0.03 0.20 -0.48 -0.61 0.02 0.00 0.00 177.57 176.72 2nut h GLN 729 N -0.39 0.13 0.23 1.57 4.15 -1.46 -1.72 115.11 117.62 2nut h GLN 729 Ca -0.00 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 2nut h GLN 729 Cb 0.36 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.05 2nut h GLN 729 CO 0.01 0.58 -0.11 -0.22 -1.93 0.00 0.00 178.83 177.16 2nut h LYS 730 N 0.10 -0.29 -0.79 1.69 3.64 -1.31 -0.86 116.57 118.75 2nut h LYS 730 Ca 0.00 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 2nut h LYS 730 Cb 0.89 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.72 2nut h LYS 730 CO 0.07 -0.09 0.49 1.25 -2.27 0.00 0.00 179.45 178.90 2nut h LEU 731 N -0.45 0.78 0.14 5.20 5.85 -1.23 0.12 115.31 125.72 2nut h LEU 731 Ca -0.03 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.72 2nut h LEU 731 Cb 0.34 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 2nut h LEU 731 CO 0.05 0.52 -0.34 -0.61 -0.34 0.00 0.00 178.44 177.72 2nut h GLN 732 N 0.92 -0.56 -0.11 1.25 5.75 -0.97 0.39 115.11 121.76 2nut h GLN 732 Ca 0.33 0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.78 2nut h GLN 732 Cb 0.11 0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 2nut h GLN 732 CO -0.15 -0.37 -0.35 0.87 -2.65 0.00 0.00 178.83 176.18 2nut h LYS 733 N -0.58 0.23 -0.08 1.69 1.79 -0.84 -1.63 116.57 117.15 2nut h LYS 733 Ca 0.02 -0.09 -0.21 0.00 -2.18 0.00 0.00 60.65 58.19 2nut h LYS 733 Cb 0.60 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.25 2nut h LYS 733 CO -0.19 0.55 -0.81 0.93 -1.08 0.00 0.00 179.45 178.86 2nut h GLU 734 N 0.20 0.54 -0.49 3.15 5.08 -0.34 -2.60 114.58 120.12 2nut h GLU 734 Ca 0.02 -0.47 -0.08 0.00 -1.00 0.00 0.00 59.36 57.83 2nut h GLU 734 Cb 0.72 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 2nut h GLU 734 CO 0.05 1.10 0.00 -0.07 -1.00 0.00 0.00 179.01 179.10 2nut h LEU 735 N 0.35 0.84 -0.34 1.33 3.38 -0.09 -0.98 115.31 119.80 2nut h LEU 735 Ca -0.05 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 57.69 2nut h LEU 735 Cb 1.41 -0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.86 2nut h LEU 735 CO 0.15 0.94 -0.17 -0.61 0.09 0.00 0.00 178.44 178.84 2nut h GLN 736 N 0.71 -0.11 -0.18 1.13 5.75 -1.24 0.26 115.11 121.43 2nut h GLN 736 Ca 0.14 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 2nut h GLN 736 Cb 0.51 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 2nut h GLN 736 CO 0.02 -0.07 0.06 -0.09 -2.65 0.00 0.00 178.83 176.10 2nut h ARG 737 N -0.11 0.28 -0.83 1.69 9.65 -1.29 -2.73 114.38 121.03 2nut h ARG 737 Ca 0.17 -0.06 0.10 0.00 -1.10 0.00 0.00 59.98 59.09 2nut h ARG 737 Cb 0.38 -0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 28.84 2nut h ARG 737 CO -0.41 0.37 0.47 -0.92 2.80 0.00 0.00 179.97 182.28 2nut h TYR 738 N 0.13 0.86 0.00 2.20 3.20 -0.49 -0.19 116.97 122.67 2nut h TYR 738 Ca 0.06 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 2nut h TYR 738 Cb 0.20 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 2nut h TYR 738 CO -0.01 0.35 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.52 2nut h LEU 739 N 0.79 0.00 0.00 2.82 3.38 -0.46 -3.38 115.31 118.46 2nut h LEU 739 Ca 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 2nut h LEU 739 Cb 0.37 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2nut h LEU 739 CO -0.25 0.08 -1.61 0.35 0.09 0.00 0.00 178.44 177.10 2nut n THR 740 N -3.04 0.02 -0.90 0.22 -2.24 -1.04 -4.06 114.28 103.25 2nut n THR 740 Ca 0.03 -0.31 -0.31 0.00 -2.27 0.00 0.00 64.05 61.19 2nut n THR 740 Cb 0.57 0.17 0.14 0.00 -2.10 0.00 0.00 70.33 69.11 2nut n THR 740 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nut s ARG 741 N -2.90 1.45 0.83 -0.78 1.70 -0.11 -4.81 118.95 114.33 2nut s ARG 741 Ca -0.05 1.44 -0.11 0.00 -0.47 0.00 0.00 55.73 56.54 2nut s ARG 741 Cb 0.08 -1.79 0.09 0.00 -0.57 0.00 0.00 34.95 32.77 2nut s ARG 741 CO 0.55 -2.29 1.10 -1.59 -1.08 0.00 0.00 175.30 171.99 2nut s LYS 742 N -4.70 1.80 0.02 3.89 -2.85 -1.26 -4.74 119.74 111.89 2nut s LYS 742 Ca 0.65 1.17 -0.07 0.00 -1.00 0.00 0.00 55.97 56.72 2nut s LYS 742 Cb -0.21 -1.84 -0.00 0.00 -2.06 0.00 0.00 37.83 33.71 2nut s LYS 742 CO 0.57 -1.97 0.12 -1.50 0.10 0.00 0.00 175.35 172.67 2nut s ILE 743 N -2.86 0.10 0.05 3.79 2.07 -1.26 -4.36 121.20 118.73 2nut s ILE 743 Ca 0.63 -0.84 0.07 0.00 -1.41 0.00 0.00 60.65 59.10 2nut s ILE 743 Cb -0.18 -0.59 -0.03 0.00 0.13 0.00 0.00 42.46 41.79 2nut s ILE 743 CO 0.57 -0.46 -0.21 -0.83 -1.91 0.00 0.00 174.94 172.09 2nut s GLY 744 N -1.66 1.15 0.29 1.50 0.00 -0.93 -3.84 107.32 103.82 2nut s GLY 744 Ca -0.11 -1.08 0.10 0.00 0.00 0.00 0.00 44.72 43.62 2nut s GLY 744 CO -0.01 -1.01 -0.02 -1.36 0.00 0.00 0.00 173.10 170.70 2nut s PHE 745 N -0.82 2.60 -0.82 1.90 0.08 0.85 -1.71 117.98 120.06 2nut s PHE 745 Ca 0.08 -0.29 -0.19 0.00 0.12 0.00 0.00 56.93 56.65 2nut s PHE 745 Cb -0.09 -1.26 0.03 0.00 -0.57 0.00 0.00 43.02 41.13 2nut s PHE 745 CO 0.02 0.59 0.35 -0.85 -0.10 0.00 0.00 175.22 175.23 2nut n GLU 746 N -0.88 -0.59 -3.95 0.44 0.28 -0.43 -1.56 120.64 113.94 2nut n GLU 746 Ca -0.05 -0.12 -0.21 0.00 -0.16 0.00 0.00 57.16 56.62 2nut n GLU 746 Cb 0.60 -1.41 -0.03 0.00 1.43 0.00 0.00 31.44 32.02 2nut n GLU 746 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2nut s ALA 747 N -4.03 3.80 0.02 -1.84 0.00 -0.61 -4.59 121.76 114.51 2nut s ALA 747 Ca 0.26 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.81 2nut s ALA 747 Cb -0.15 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 2nut s ALA 747 CO 0.63 0.17 -0.04 0.14 0.00 0.00 0.00 175.76 176.67 2nut s VAL 748 N -2.13 0.19 0.00 0.00 -7.23 -0.47 -0.28 120.40 110.49 2nut s VAL 748 Ca 0.36 -0.81 0.04 0.00 -1.81 0.00 0.00 61.98 59.76 2nut s VAL 748 Cb -0.08 -0.30 -0.01 0.00 0.56 0.00 0.00 36.38 36.55 2nut s VAL 748 CO 0.27 -0.39 -0.11 -0.32 -0.31 0.00 0.00 175.10 174.23 2nut s MET 749 N -1.26 0.88 -0.02 4.82 1.75 0.88 -1.24 119.30 125.10 2nut s MET 749 Ca -0.12 -0.48 0.04 0.00 -1.25 0.00 0.00 55.69 53.88 2nut s MET 749 Cb -0.08 -0.85 -0.01 0.00 2.84 0.00 0.00 34.83 36.73 2nut s MET 749 CO -0.01 0.23 -0.14 0.50 -0.65 0.00 0.00 175.02 174.95 2nut s ARG 750 N -0.48 1.31 -0.20 4.11 6.06 -0.88 -0.44 118.95 128.42 2nut s ARG 750 Ca 0.03 -0.51 -0.01 0.00 -2.50 0.00 0.00 55.73 52.74 2nut s ARG 750 Cb -0.05 -1.22 0.01 0.00 0.06 0.00 0.00 34.95 33.75 2nut s ARG 750 CO -0.00 0.26 -0.13 0.42 -2.50 0.00 0.00 175.30 173.35 2nut s ILE 751 N -0.14 2.64 -0.02 4.11 1.01 -1.26 -1.04 121.20 126.50 2nut s ILE 751 Ca 0.01 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.92 2nut s ILE 751 Cb -0.08 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.19 2nut s ILE 751 CO 0.00 0.46 -0.09 -0.13 0.00 0.00 0.00 174.94 175.18 2nut s ARG 752 N 1.36 2.54 0.03 2.79 0.52 0.22 -4.95 118.95 121.47 2nut s ARG 752 Ca 0.05 -0.70 -0.02 0.00 -0.52 0.00 0.00 55.73 54.53 2nut s ARG 752 Cb -0.14 -2.47 -0.02 0.00 0.52 0.00 0.00 34.95 32.85 2nut s ARG 752 CO -0.08 0.62 0.02 0.00 0.02 0.00 0.00 175.30 175.87 2nut n THR 754 N 1.16 1.95 -1.62 0.00 -1.04 -0.71 -4.80 114.28 109.21 2nut n THR 754 Ca -0.21 -0.50 -0.51 0.00 -2.04 0.00 0.00 64.05 60.79 2nut n THR 754 Cb 0.57 -0.66 -0.06 0.00 -1.82 0.00 0.00 70.33 68.36 2nut n THR 754 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2nut n LYS 755 N 0.69 1.44 0.00 -2.82 4.81 0.10 -1.73 118.16 120.66 2nut n LYS 755 Ca 0.12 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 2nut n LYS 755 Cb 0.34 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.18 2nut n LYS 755 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2nut n GLY 756 N 2.95 1.70 3.85 3.14 0.00 -1.26 -4.97 105.19 110.61 2nut n GLY 756 Ca 0.19 -0.55 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 2nut n GLY 756 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nut s LEU 757 N 0.00 4.31 -0.02 0.99 1.43 -0.70 0.10 118.68 124.79 2nut s LEU 757 Ca 0.00 0.42 0.02 0.00 -1.03 0.00 0.00 54.13 53.54 2nut s LEU 757 Cb 0.00 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.17 2nut s LEU 757 CO 0.00 0.39 -0.06 -0.55 0.23 0.00 0.00 176.35 176.35 2nut s SER 758 N -0.91 0.88 -0.13 2.29 0.15 -0.16 -4.78 113.70 111.05 2nut s SER 758 Ca 0.14 -0.13 -0.22 0.00 0.70 0.00 0.00 55.95 56.44 2nut s SER 758 Cb -0.12 -0.21 -0.03 0.00 -1.71 0.00 0.00 66.02 63.95 2nut s SER 758 CO 0.03 0.05 0.66 -0.63 1.20 0.00 0.00 173.24 174.55 2nut s ILE 759 N 0.17 5.04 -0.01 6.45 1.09 -1.26 -1.00 121.20 131.68 2nut s ILE 759 Ca -0.02 1.32 0.05 0.00 -1.10 0.00 0.00 60.65 60.90 2nut s ILE 759 Cb -0.07 -3.99 -0.08 0.00 -1.06 0.00 0.00 42.46 37.26 2nut s ILE 759 CO -0.00 0.19 0.11 0.00 -0.10 0.00 0.00 174.94 175.15 2nut n HIS 760 N 4.32 0.00 -4.09 3.97 1.44 -0.49 -4.99 115.22 115.38 2nut n HIS 760 Ca -0.01 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.53 2nut n HIS 760 Cb 0.51 -0.12 -0.15 0.00 0.12 0.00 0.00 29.99 30.34 2nut n HIS 760 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 2nut s THR 761 N -2.36 0.35 -0.06 0.61 2.01 -1.17 -5.02 115.64 109.99 2nut s THR 761 Ca -0.02 -0.12 0.03 0.00 0.31 0.00 0.00 61.69 61.89 2nut s THR 761 Cb 0.03 -0.34 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 2nut s THR 761 CO 0.22 0.13 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.80 2nut s PHE 762 N 0.32 2.78 -0.05 4.92 0.40 -1.26 -1.74 117.98 123.34 2nut s PHE 762 Ca -0.03 -0.13 0.04 0.00 -0.60 0.00 0.00 56.93 56.20 2nut s PHE 762 Cb -0.07 -1.67 -0.00 0.00 0.51 0.00 0.00 43.02 41.80 2nut s PHE 762 CO -0.00 0.20 -0.18 -1.01 0.70 0.00 0.00 175.22 174.93 2nut s HIS 763 N -0.68 1.83 -4.43 0.36 3.76 0.62 -5.00 115.29 111.74 2nut s HIS 763 Ca 0.10 -0.58 0.00 0.00 -0.15 0.00 0.00 55.06 54.44 2nut s HIS 763 Cb -0.11 -1.24 0.00 0.00 1.11 0.00 0.00 32.58 32.34 2nut s HIS 763 CO 0.01 -0.21 0.00 0.41 -0.85 0.00 0.00 174.74 174.10 2nut n GLY 764 N 3.27 0.98 3.47 -2.22 0.00 -1.24 -1.68 105.19 107.76 2nut n GLY 764 Ca -0.19 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.42 2nut n GLY 764 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2nut s ASN 765 N -1.38 6.19 -0.03 1.61 -0.87 -1.26 -4.96 114.94 114.25 2nut s ASN 765 Ca 0.00 -0.79 -0.10 0.00 -1.57 0.00 0.00 52.86 50.40 2nut s ASN 765 Cb 0.00 -2.23 0.03 0.00 -0.02 0.00 0.00 41.25 39.03 2nut s ASN 765 CO 0.00 -0.64 0.46 2.22 -2.57 0.00 0.00 177.10 176.57 2nut n PHE 766 N 5.64 -0.04 -4.17 2.20 1.16 -0.40 -4.24 117.46 117.62 2nut n PHE 766 Ca -0.08 -0.18 -0.24 0.00 -1.87 0.00 0.00 57.45 55.09 2nut n PHE 766 Cb 0.47 0.08 -0.17 0.00 -1.61 0.00 0.00 39.48 38.25 2nut n PHE 766 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 2nut s PHE 767 N -2.12 1.15 -0.27 2.97 5.36 -1.09 -4.33 117.98 119.65 2nut s PHE 767 Ca 0.11 -0.44 -0.23 0.00 -0.96 0.00 0.00 56.93 55.41 2nut s PHE 767 Cb -0.00 -0.96 -0.01 0.00 -0.34 0.00 0.00 43.02 41.72 2nut s PHE 767 CO -0.01 -0.32 0.76 0.08 -1.46 0.00 0.00 175.22 174.27 2nut s VAL 768 N 1.18 4.86 0.00 3.12 1.01 -1.26 -1.38 120.40 127.93 2nut s VAL 768 Ca -0.06 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.24 2nut s VAL 768 Cb -0.14 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.16 2nut s VAL 768 CO -0.02 -0.11 0.00 0.54 0.00 0.00 0.00 175.10 175.52 2nut n ARG 769 N 5.99 2.65 -3.08 2.72 5.12 -0.08 -4.90 116.66 125.08 2nut n ARG 769 Ca 0.03 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.62 2nut n ARG 769 Cb 0.48 0.00 -0.06 0.00 -1.16 0.00 0.00 32.46 31.72 2nut n ARG 769 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2nut s SER 770 N -1.00 6.88 -1.38 0.55 1.04 -1.26 -3.83 113.70 114.69 2nut s SER 770 Ca 0.00 1.37 -0.06 0.00 0.48 0.00 0.00 55.95 57.74 2nut s SER 770 Cb 0.00 -2.41 0.03 0.00 0.10 0.00 0.00 66.02 63.74 2nut s SER 770 CO 0.00 -0.16 0.91 0.41 0.98 0.00 0.00 173.24 175.38 2nut n THR 771 N -0.09 -3.55 -3.63 2.02 -1.04 -1.26 -3.65 114.28 103.08 2nut n THR 771 Ca 0.02 -0.25 -0.32 0.00 -2.04 0.00 0.00 64.05 61.47 2nut n THR 771 Cb 0.53 -3.62 0.02 0.00 -1.82 0.00 0.00 70.33 65.44 2nut n THR 771 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2nut n ASP 772 N -2.98 -5.00 -4.37 8.00 8.00 -1.25 -4.99 116.55 113.96 2nut n ASP 772 Ca -0.13 -0.58 -0.34 0.00 0.71 0.00 0.00 54.79 54.45 2nut n ASP 772 Cb 0.60 -1.56 -0.14 0.00 -0.02 0.00 0.00 41.12 40.01 2nut n ASP 772 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2nut s LEU 773 N -3.71 2.91 -0.40 0.64 0.20 -1.24 -4.72 118.68 112.36 2nut s LEU 773 Ca 0.18 -0.31 -0.20 0.00 0.69 0.00 0.00 54.13 54.49 2nut s LEU 773 Cb -0.02 -1.70 0.01 0.00 -0.43 0.00 0.00 46.19 44.05 2nut s LEU 773 CO 0.87 0.09 0.62 -0.76 -0.29 0.00 0.00 176.35 176.89 2nut s LEU 774 N 0.81 4.40 -0.17 -0.68 1.43 0.42 -0.90 118.68 123.97 2nut s LEU 774 Ca -0.03 -0.13 -0.24 0.00 -1.03 0.00 0.00 54.13 52.71 2nut s LEU 774 Cb -0.15 -2.73 -0.02 0.00 0.03 0.00 0.00 46.19 43.32 2nut s LEU 774 CO 0.01 -0.67 0.76 -0.55 0.23 0.00 0.00 176.35 176.12 2nut s SER 775 N 1.90 6.86 -0.49 2.29 0.15 -0.48 -0.08 113.70 123.84 2nut s SER 775 Ca 0.23 1.06 0.03 0.00 0.70 0.00 0.00 55.95 57.96 2nut s SER 775 Cb -0.14 -2.42 0.15 0.00 -1.71 0.00 0.00 66.02 61.90 2nut s SER 775 CO 0.17 -0.34 0.32 -0.76 1.20 0.00 0.00 173.24 173.82 2nut s LEU 776 N 2.01 2.87 0.41 3.45 1.43 0.62 -2.66 118.68 126.80 2nut s LEU 776 Ca 0.35 -2.99 0.24 0.00 -1.03 0.00 0.00 54.13 50.70 2nut s LEU 776 Cb -0.16 -1.03 1.30 0.00 0.03 0.00 0.00 46.19 46.32 2nut s LEU 776 CO 0.12 -0.21 1.65 -0.65 0.23 0.00 0.00 176.35 177.49 2nut h PRO 777 N 6.21 0.17 -4.53 1.29 0.11 -1.75 -1.63 132.00 131.86 2nut h PRO 777 Ca 0.08 -0.01 -0.25 0.00 0.11 0.00 0.00 66.00 65.93 2nut h PRO 777 Cb 0.89 -0.04 -0.20 0.00 0.11 0.00 0.00 31.00 31.76 2nut h PRO 777 CO 0.51 0.11 -0.72 -0.80 -0.21 0.00 0.00 178.00 176.89 2nut s ASN 778 N -4.69 0.86 -0.11 -2.05 -0.87 -1.26 -1.31 114.94 105.50 2nut s ASN 778 Ca -0.08 -0.65 0.00 0.00 -1.57 0.00 0.00 52.86 50.56 2nut s ASN 778 Cb 0.30 0.06 0.02 0.00 -0.02 0.00 0.00 41.25 41.60 2nut s ASN 778 CO 0.81 -0.27 -0.10 0.54 -2.57 0.00 0.00 177.10 175.50 2nut s VAL 779 N -1.90 1.18 0.11 1.60 0.11 -0.69 -4.87 120.40 115.94 2nut s VAL 779 Ca -0.06 -0.41 0.07 0.00 -2.93 0.00 0.00 61.98 58.66 2nut s VAL 779 Cb -0.06 -1.15 -0.04 0.00 -1.53 0.00 0.00 36.38 33.59 2nut s VAL 779 CO -0.01 0.39 -0.10 0.54 -3.33 0.00 0.00 175.10 172.59 2nut s ASN 780 N 1.45 4.36 0.00 3.54 4.22 -1.26 -2.19 114.94 125.06 2nut s ASN 780 Ca 0.01 -0.42 0.15 0.00 -2.14 0.00 0.00 52.86 50.47 2nut s ASN 780 Cb -0.13 -0.81 0.86 0.00 1.28 0.00 0.00 41.25 42.44 2nut s ASN 780 CO -0.06 0.17 1.38 -0.81 -2.04 0.00 0.00 177.10 175.74 2nut n PRO 781 N 0.62 0.37 -0.20 3.55 -0.04 -1.26 -2.91 135.00 135.13 2nut n PRO 781 Ca -0.13 0.07 0.06 0.00 -0.04 0.00 0.00 63.50 63.45 2nut n PRO 781 Cb 0.53 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.65 2nut n PRO 781 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2nut n ASP 782 N -1.13 3.02 -4.87 3.54 8.00 -1.26 -4.20 116.55 119.65 2nut n ASP 782 Ca 0.10 -2.06 -0.37 0.00 0.71 0.00 0.00 54.79 53.17 2nut n ASP 782 Cb 0.08 -0.26 -0.06 0.00 -0.02 0.00 0.00 41.12 40.87 2nut n ASP 782 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2nut s ALA 783 N -1.11 3.80 0.19 2.24 0.00 -1.15 -4.49 121.76 121.25 2nut s ALA 783 Ca 0.25 -0.47 0.10 0.00 0.00 0.00 0.00 51.96 51.84 2nut s ALA 783 Cb 0.14 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 2nut s ALA 783 CO 0.16 0.58 -0.14 0.20 0.00 0.00 0.00 175.76 176.56 2nut s GLY 784 N -1.28 1.73 0.12 0.00 0.00 0.11 -4.62 107.32 103.39 2nut s GLY 784 Ca 0.22 -1.56 0.01 0.00 0.00 0.00 0.00 44.72 43.40 2nut s GLY 784 CO 0.11 -1.59 -0.02 -0.19 0.00 0.00 0.00 173.10 171.41 2nut s TYR 785 N -1.77 0.95 0.01 1.90 1.51 0.19 -4.53 117.35 115.61 2nut s TYR 785 Ca 0.24 -1.01 -0.09 0.00 -1.01 0.00 0.00 57.07 55.20 2nut s TYR 785 Cb -0.08 -0.55 0.00 0.00 -0.11 0.00 0.00 41.96 41.22 2nut s TYR 785 CO 0.14 -0.25 0.18 0.00 -1.11 0.00 0.00 175.55 174.50 2nut s ALA 786 N -3.73 -0.38 0.02 3.71 0.00 -0.68 -0.63 121.76 120.06 2nut s ALA 786 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.99 2nut s ALA 786 Cb 0.06 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 2nut s ALA 786 CO -0.02 -0.27 -0.03 0.08 0.00 0.00 0.00 175.76 175.53 2nut s VAL 787 N -1.79 0.13 -0.11 0.00 1.01 0.14 -0.27 120.40 119.50 2nut s VAL 787 Ca -0.11 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.23 2nut s VAL 787 Cb -0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 2nut s VAL 787 CO 0.00 -0.34 -0.18 -1.58 0.00 0.00 0.00 175.10 173.01 2nut s GLN 788 N -1.03 3.17 0.40 2.72 0.74 -0.71 -0.17 119.66 124.78 2nut s GLN 788 Ca -0.11 -0.77 0.04 0.00 0.05 0.00 0.00 55.36 54.57 2nut s GLN 788 Cb -0.07 -2.47 -0.04 0.00 1.10 0.00 0.00 33.01 31.53 2nut s GLN 788 CO -0.01 0.23 0.06 0.00 -0.55 0.00 0.00 175.29 175.03 2nut s MET 789 N 0.26 1.90 0.08 1.67 0.23 0.52 -1.40 119.30 122.57 2nut s MET 789 Ca -0.12 -2.13 -0.08 0.00 -1.03 0.00 0.00 55.69 52.32 2nut s MET 789 Cb -0.16 -1.03 -0.00 0.00 -1.53 0.00 0.00 34.83 32.11 2nut s MET 789 CO 0.07 -0.30 0.18 -1.54 -2.03 0.00 0.00 175.02 171.39 2nut s SER 790 N -3.64 0.14 -0.76 -1.18 1.04 -0.17 -4.51 113.70 104.63 2nut s SER 790 Ca 0.26 -0.66 -0.21 0.00 0.48 0.00 0.00 55.95 55.82 2nut s SER 790 Cb 0.05 0.33 0.10 0.00 0.10 0.00 0.00 66.02 66.60 2nut s SER 790 CO 0.13 -0.71 1.00 -0.69 0.98 0.00 0.00 173.24 173.95 2nut s VAL 791 N -3.81 4.53 0.17 5.02 1.01 -1.26 -0.99 120.40 125.07 2nut s VAL 791 Ca 0.05 -0.89 0.17 0.00 0.00 0.00 0.00 61.98 61.30 2nut s VAL 791 Cb 0.05 -4.70 0.10 0.00 0.00 0.00 0.00 36.38 31.82 2nut s VAL 791 CO -0.11 -1.45 1.69 -0.08 0.00 0.00 0.00 175.10 175.16 2nut h GLU 792 N 9.25 0.00 -3.63 2.72 4.81 0.33 -3.39 114.58 124.68 2nut h GLU 792 Ca -0.12 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.77 2nut h GLU 792 Cb 1.05 0.00 -0.35 0.00 0.63 0.00 0.00 28.75 30.09 2nut h GLU 792 CO 1.15 0.44 -0.74 -1.21 -0.73 0.00 0.00 179.01 177.91 2nut s GLU 793 N -3.56 0.19 0.16 1.92 2.02 -0.52 -5.02 118.70 113.89 2nut s GLU 793 Ca 0.00 0.13 -0.33 0.00 0.02 0.00 0.00 54.97 54.79 2nut s GLU 793 Cb 0.11 -0.44 -0.15 0.00 0.10 0.00 0.00 34.13 33.74 2nut s GLU 793 CO 0.71 -0.17 1.26 0.43 0.02 0.00 0.00 175.26 177.51 2nut n SER 794 N 4.29 1.71 -1.79 -0.19 7.64 -1.26 -4.67 113.62 119.34 2nut n SER 794 Ca -0.24 1.13 -0.13 0.00 1.01 0.00 0.00 58.87 60.64 2nut n SER 794 Cb 0.50 -1.25 0.03 0.00 -1.01 0.00 0.00 64.21 62.48 2nut n SER 794 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2nut n LEU 795 N 2.22 6.10 0.15 -3.43 4.77 0.22 -4.46 117.00 122.56 2nut n LEU 795 Ca 0.15 -3.06 0.04 0.00 -0.03 0.00 0.00 56.01 53.12 2nut n LEU 795 Cb 0.25 -1.04 0.46 0.00 -2.33 0.00 0.00 43.42 40.76 2nut n LEU 795 CO 0.62 1.15 0.95 0.71 -1.33 0.00 0.00 177.39 179.48 2nut h THR 796 N 0.95 1.13 0.00 -5.08 1.35 -1.88 -3.29 112.91 106.10 2nut h THR 796 Ca 0.23 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2nut h THR 796 Cb 0.99 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 2nut h THR 796 CO 0.59 0.18 0.00 0.47 -0.25 0.00 0.00 175.52 176.51 2nut n ASP 797 N -4.35 0.00 -4.90 5.36 9.92 -1.26 -4.90 116.55 116.42 2nut n ASP 797 Ca -0.01 0.87 -0.29 0.00 -0.53 0.00 0.00 54.79 54.83 2nut n ASP 797 Cb 0.21 -0.41 0.09 0.00 -0.64 0.00 0.00 41.12 40.37 2nut n ASP 797 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2nut s THR 798 N -2.50 2.09 0.00 -3.53 -4.23 -1.24 -5.01 115.64 101.21 2nut s THR 798 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 60.53 2nut s THR 798 Cb 0.00 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.81 2nut s THR 798 CO 0.00 -0.04 0.25 0.00 -0.54 0.00 0.00 174.62 174.30 2nut n GLN 799 N -3.30 1.90 -3.92 3.99 6.02 -1.26 -4.90 117.38 115.91 2nut n GLN 799 Ca 0.08 -0.25 -0.10 0.00 -0.01 0.00 0.00 57.00 56.71 2nut n GLN 799 Cb 0.61 -0.72 -0.12 0.00 1.02 0.00 0.00 30.24 31.03 2nut n GLN 799 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2nut s LEU 800 N -0.69 2.01 0.04 1.08 1.43 -1.26 -1.71 118.68 119.58 2nut s LEU 800 Ca 0.00 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 52.89 2nut s LEU 800 Cb 0.00 0.17 -0.02 0.00 0.03 0.00 0.00 46.19 46.37 2nut s LEU 800 CO 0.00 -0.19 -0.10 0.68 0.23 0.00 0.00 176.35 176.97 2nut s VAL 801 N -0.86 0.75 0.29 -1.59 -7.23 -0.50 -4.94 120.40 106.31 2nut s VAL 801 Ca -0.09 -1.01 0.12 0.00 -1.81 0.00 0.00 61.98 59.18 2nut s VAL 801 Cb -0.06 -0.75 -0.05 0.00 0.56 0.00 0.00 36.38 36.08 2nut s VAL 801 CO -0.00 -0.22 -0.19 -0.44 -0.31 0.00 0.00 175.10 173.95 2nut s SER 802 N -1.36 3.59 -0.04 4.85 0.01 -1.26 -1.26 113.70 118.24 2nut s SER 802 Ca -0.05 -1.05 0.01 0.00 1.31 0.00 0.00 55.95 56.17 2nut s SER 802 Cb -0.09 -0.30 0.02 0.00 0.21 0.00 0.00 66.02 65.86 2nut s SER 802 CO 0.01 0.00 -0.03 -0.36 0.41 0.00 0.00 173.24 173.27 2nut s PHE 803 N -2.53 0.60 -0.05 2.43 0.08 0.31 -1.75 117.98 117.08 2nut s PHE 803 Ca 0.30 -0.14 -0.00 0.00 0.12 0.00 0.00 56.93 57.21 2nut s PHE 803 Cb -0.04 -0.58 0.03 0.00 -0.57 0.00 0.00 43.02 41.86 2nut s PHE 803 CO 0.15 -0.17 -0.00 -1.14 -0.10 0.00 0.00 175.22 173.96 2nut s GLN 804 N 0.96 0.50 -0.13 0.44 0.74 0.29 -0.32 119.66 122.13 2nut s GLN 804 Ca -0.11 0.08 -0.03 0.00 0.05 0.00 0.00 55.36 55.36 2nut s GLN 804 Cb -0.14 -0.76 -0.03 0.00 1.10 0.00 0.00 33.01 33.18 2nut s GLN 804 CO -0.00 -0.21 -0.03 -1.54 -0.55 0.00 0.00 175.29 172.95 2nut s SER 805 N 1.50 4.86 -0.17 6.67 1.04 -0.72 0.73 113.70 127.61 2nut s SER 805 Ca -0.03 -0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.36 2nut s SER 805 Cb -0.13 -1.61 0.02 0.00 0.10 0.00 0.00 66.02 64.39 2nut s SER 805 CO -0.03 0.24 -0.20 0.00 0.98 0.00 0.00 173.24 174.23 2nut s ALA 806 N -0.08 2.32 -0.39 5.32 0.00 -0.20 -2.07 121.76 126.65 2nut s ALA 806 Ca 0.02 -1.20 -0.07 0.00 0.00 0.00 0.00 51.96 50.71 2nut s ALA 806 Cb -0.13 -1.16 0.07 0.00 0.00 0.00 0.00 23.12 21.91 2nut s ALA 806 CO 0.02 -0.31 0.20 -1.17 0.00 0.00 0.00 175.76 174.50 2nut s LEU 807 N 1.24 4.90 -0.29 0.00 2.96 0.60 -2.08 118.68 126.01 2nut s LEU 807 Ca 0.04 -1.49 -0.15 0.00 -0.22 0.00 0.00 54.13 52.31 2nut s LEU 807 Cb -0.13 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 2nut s LEU 807 CO -0.12 -0.47 0.39 -0.22 -1.32 0.00 0.00 176.35 174.61 2nut s LEU 808 N 1.37 4.12 0.29 -0.68 2.96 -0.38 -0.89 118.68 125.47 2nut s LEU 808 Ca 0.02 0.20 -0.09 0.00 -0.22 0.00 0.00 54.13 54.05 2nut s LEU 808 Cb -0.22 -2.44 0.00 0.00 0.50 0.00 0.00 46.19 44.03 2nut s LEU 808 CO 0.01 -0.23 0.49 -0.72 -1.32 0.00 0.00 176.35 174.57 2nut s TYR 809 N 2.10 0.64 -0.19 5.38 -0.85 0.05 -1.37 117.35 123.11 2nut s TYR 809 Ca 0.15 -0.97 -0.05 0.00 -0.52 0.00 0.00 57.07 55.68 2nut s TYR 809 Cb -0.16 0.11 -0.03 0.00 0.38 0.00 0.00 41.96 42.26 2nut s TYR 809 CO 0.10 -1.08 0.00 0.99 -1.52 0.00 0.00 175.55 174.05 2nut s THR 810 N -3.52 4.04 0.98 -3.49 2.01 -0.60 0.21 115.64 115.26 2nut s THR 810 Ca 0.26 -0.29 -0.14 0.00 0.31 0.00 0.00 61.69 61.83 2nut s THR 810 Cb -0.01 -2.82 0.18 0.00 0.01 0.00 0.00 72.50 69.86 2nut s THR 810 CO 0.13 0.44 1.14 -0.94 -0.69 0.00 0.00 174.62 174.70 2nut s SER 811 N 0.87 2.90 0.00 3.53 1.04 -0.56 -0.11 113.70 121.37 2nut s SER 811 Ca 0.01 0.90 0.15 0.00 0.48 0.00 0.00 55.95 57.49 2nut s SER 811 Cb -0.14 -1.40 0.67 0.00 0.10 0.00 0.00 66.02 65.25 2nut s SER 811 CO 0.02 -2.92 1.46 -1.54 0.98 0.00 0.00 173.24 171.24 2nut n SER 812 N -4.00 0.00 -1.16 7.02 3.41 -1.25 -1.79 113.62 115.85 2nut n SER 812 Ca 0.08 0.40 0.11 0.00 -0.26 0.00 0.00 58.87 59.20 2nut n SER 812 Cb 0.59 -0.45 0.24 0.00 -0.26 0.00 0.00 64.21 64.33 2nut n SER 812 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2nut n LYS 813 N -1.45 2.54 -0.97 4.33 5.02 -1.26 -3.35 118.16 123.01 2nut n LYS 813 Ca 0.04 -2.36 0.00 0.00 -2.02 0.00 0.00 58.31 53.98 2nut n LYS 813 Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 2nut n LYS 813 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2nut n GLY 814 N 1.45 0.41 3.52 0.72 0.00 -0.74 -4.95 105.19 105.59 2nut n GLY 814 Ca 0.20 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 2nut n GLY 814 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nut s GLU 815 N -1.81 3.76 -0.01 1.61 2.02 -1.26 -4.69 118.70 118.32 2nut s GLU 815 Ca 0.00 -0.44 -0.30 0.00 0.02 0.00 0.00 54.97 54.25 2nut s GLU 815 Cb 0.00 -3.21 -0.06 0.00 0.10 0.00 0.00 34.13 30.96 2nut s GLU 815 CO 0.00 0.04 1.48 1.03 0.02 0.00 0.00 175.26 177.83 2nut s ARG 816 N 0.98 4.25 0.19 1.61 1.81 -1.26 -1.50 118.95 125.02 2nut s ARG 816 Ca 0.03 2.04 0.05 0.00 -1.72 0.00 0.00 55.73 56.14 2nut s ARG 816 Cb -0.14 -3.66 -0.05 0.00 -0.45 0.00 0.00 34.95 30.65 2nut s ARG 816 CO 0.03 -0.66 -0.09 1.03 -0.68 0.00 0.00 175.30 174.93 2nut s ARG 817 N 2.80 1.23 -0.14 3.54 0.52 0.13 -1.67 118.95 125.37 2nut s ARG 817 Ca 0.67 -1.56 -0.02 0.00 -0.52 0.00 0.00 55.73 54.29 2nut s ARG 817 Cb -0.32 -0.80 0.04 0.00 0.52 0.00 0.00 34.95 34.39 2nut s ARG 817 CO 0.27 0.07 0.02 0.42 0.02 0.00 0.00 175.30 176.09 2nut s ILE 818 N -3.22 0.48 -0.21 1.52 1.01 -0.24 -0.77 121.20 119.78 2nut s ILE 818 Ca 0.22 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.52 2nut s ILE 818 Cb 0.02 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.63 2nut s ILE 818 CO 0.05 0.02 0.10 -0.60 0.00 0.00 0.00 174.94 174.50 2nut s ARG 819 N 1.90 3.99 -0.02 2.79 3.52 -0.07 0.32 118.95 131.37 2nut s ARG 819 Ca 0.02 -0.33 0.06 0.00 -0.13 0.00 0.00 55.73 55.36 2nut s ARG 819 Cb -0.15 -3.34 -0.01 0.00 -1.56 0.00 0.00 34.95 29.89 2nut s ARG 819 CO -0.07 0.16 -0.21 0.08 -0.81 0.00 0.00 175.30 174.45 2nut s VAL 820 N 0.71 1.69 -0.05 7.11 1.01 0.07 -0.29 120.40 130.65 2nut s VAL 820 Ca 0.05 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.17 2nut s VAL 820 Cb -0.13 -1.41 -0.00 0.00 0.00 0.00 0.00 36.38 34.84 2nut s VAL 820 CO 0.02 0.48 -0.16 -1.00 0.00 0.00 0.00 175.10 174.43 2nut s HIS 821 N -0.39 1.65 -0.03 5.22 3.76 -0.88 -1.77 115.29 122.85 2nut s HIS 821 Ca 0.05 -0.50 0.05 0.00 -0.15 0.00 0.00 55.06 54.51 2nut s HIS 821 Cb -0.09 -1.13 -0.01 0.00 1.11 0.00 0.00 32.58 32.46 2nut s HIS 821 CO 0.00 -0.19 -0.17 0.99 -0.85 0.00 0.00 174.74 174.52 2nut s THR 822 N 0.15 1.42 -0.04 1.30 2.01 -0.55 -1.75 115.64 118.17 2nut s THR 822 Ca -0.06 -0.73 0.06 0.00 0.31 0.00 0.00 61.69 61.27 2nut s THR 822 Cb -0.12 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.18 2nut s THR 822 CO 0.03 0.41 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.93 2nut s LEU 823 N -0.12 2.00 -0.08 4.42 2.96 0.57 -3.52 118.68 124.91 2nut s LEU 823 Ca -0.00 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.54 2nut s LEU 823 Cb -0.10 -1.13 0.00 0.00 0.50 0.00 0.00 46.19 45.46 2nut s LEU 823 CO 0.01 0.22 -0.21 0.00 -1.32 0.00 0.00 176.35 175.04 2nut s LEU 825 N 0.28 2.39 0.41 0.00 1.43 -0.39 -5.00 118.68 117.80 2nut s LEU 825 Ca -0.14 -0.78 -0.16 0.00 -1.03 0.00 0.00 54.13 52.02 2nut s LEU 825 Cb -0.16 -0.15 -0.09 0.00 0.03 0.00 0.00 46.19 45.83 2nut s LEU 825 CO 0.06 -0.32 0.85 -2.16 0.23 0.00 0.00 176.35 175.01 2nut s PRO 826 N -2.72 3.98 -0.17 1.29 0.04 -1.26 -1.42 135.00 134.75 2nut s PRO 826 Ca 0.02 0.78 -0.07 0.00 0.04 0.00 0.00 61.00 61.77 2nut s PRO 826 Cb -0.02 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 2nut s PRO 826 CO -0.02 -0.03 0.05 0.08 0.04 0.00 0.00 177.00 177.13 2nut s VAL 827 N -2.26 4.72 0.20 -0.36 1.01 -0.70 -1.52 120.40 121.49 2nut s VAL 827 Ca 0.56 -0.06 0.10 0.00 0.00 0.00 0.00 61.98 62.58 2nut s VAL 827 Cb -0.10 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 2nut s VAL 827 CO 0.23 0.48 -0.20 0.68 0.00 0.00 0.00 175.10 176.29 2nut s VAL 828 N 0.20 2.12 -0.55 2.92 -7.23 -0.08 -4.92 120.40 112.86 2nut s VAL 828 Ca 0.04 -2.09 0.05 0.00 -1.81 0.00 0.00 61.98 58.17 2nut s VAL 828 Cb -0.12 -2.05 0.07 0.00 0.56 0.00 0.00 36.38 34.84 2nut s VAL 828 CO 0.01 -0.30 0.82 -1.54 -0.31 0.00 0.00 175.10 173.78 2nut n SER 829 N 0.02 1.77 -4.49 4.85 3.41 -1.26 -0.74 113.62 117.17 2nut n SER 829 Ca -0.11 -1.49 -0.27 0.00 -0.26 0.00 0.00 58.87 56.75 2nut n SER 829 Cb 0.58 -0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 64.38 2nut n SER 829 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2nut s THR 830 N -0.62 2.76 0.24 6.66 -4.23 -1.26 -4.94 115.64 114.25 2nut s THR 830 Ca 0.07 -1.84 -0.06 0.00 -1.18 0.00 0.00 61.69 58.68 2nut s THR 830 Cb 0.05 -2.34 0.23 0.00 1.34 0.00 0.00 72.50 71.77 2nut s THR 830 CO 0.07 -0.10 1.88 -0.07 -0.54 0.00 0.00 174.62 175.85 2nut h LEU 831 N 3.09 1.12 -0.90 4.79 3.38 -1.96 -2.77 115.31 122.07 2nut h LEU 831 Ca -0.47 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 2nut h LEU 831 Cb 1.20 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 2nut h LEU 831 CO 0.51 0.87 0.31 -1.13 0.09 0.00 0.00 178.44 179.09 2nut h ASN 832 N 1.28 1.02 0.03 -0.43 -0.73 -1.95 -2.17 115.58 112.62 2nut h ASN 832 Ca 0.33 -0.15 -0.08 0.00 1.87 0.00 0.00 56.30 58.27 2nut h ASN 832 Cb -0.03 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.29 2nut h ASN 832 CO -0.06 0.90 -0.22 0.44 -0.37 0.00 0.00 177.43 178.12 2nut h ASP 833 N 1.08 0.33 -0.38 1.15 3.32 -1.92 0.25 116.42 120.26 2nut h ASP 833 Ca 0.25 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 2nut h ASP 833 Cb 0.19 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 2nut h ASP 833 CO -0.02 0.57 0.02 0.58 -1.72 0.00 0.00 179.24 178.66 2nut h VAL 834 N 0.31 1.25 -0.36 -1.35 2.07 -1.18 -2.76 116.25 114.23 2nut h VAL 834 Ca 0.05 -0.95 -0.09 0.00 0.82 0.00 0.00 66.70 66.53 2nut h VAL 834 Cb 0.57 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 2nut h VAL 834 CO 0.04 0.32 -0.11 -0.26 0.02 0.00 0.00 177.57 177.57 2nut h PHE 835 N 0.48 0.81 -0.79 1.57 -1.00 -1.14 -2.91 116.94 113.97 2nut h PHE 835 Ca 0.11 -0.18 0.12 0.00 2.81 0.00 0.00 57.97 60.83 2nut h PHE 835 Cb 0.43 -0.19 -0.06 0.00 3.61 0.00 0.00 35.95 39.74 2nut h PHE 835 CO 0.03 0.88 0.52 -0.07 -1.61 0.00 0.00 178.31 178.06 2nut h LEU 836 N 0.51 0.56 -1.53 1.54 3.38 -0.86 -2.17 115.31 116.75 2nut h LEU 836 Ca 0.09 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2nut h LEU 836 Cb 0.64 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2nut h LEU 836 CO 0.04 0.31 0.00 0.61 0.09 0.00 0.00 178.44 179.49 2nut n GLY 837 N -1.47 0.65 3.68 0.83 0.00 -1.05 -4.82 105.19 103.01 2nut n GLY 837 Ca 0.14 -0.57 -0.44 0.00 0.00 0.00 0.00 46.02 45.15 2nut n GLY 837 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nut n ALA 838 N 0.81 1.24 -3.50 4.61 0.00 -0.82 -2.26 120.51 120.60 2nut n ALA 838 Ca 0.17 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.59 2nut n ALA 838 Cb 0.48 -2.29 -0.07 0.00 0.00 0.00 0.00 19.45 17.57 2nut n ALA 838 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2nut s ASP 839 N 0.23 5.91 0.30 0.00 -1.08 0.06 -4.86 116.67 117.22 2nut s ASP 839 Ca 0.66 -2.18 0.04 0.00 -0.52 0.00 0.00 52.55 50.55 2nut s ASP 839 Cb -0.63 -2.06 0.66 0.00 -1.46 0.00 0.00 42.92 39.44 2nut s ASP 839 CO 0.51 -0.65 1.81 1.62 0.52 0.00 0.00 175.17 178.98 2nut h VAL 840 N 5.71 0.81 -0.22 1.11 3.04 -1.85 -0.87 116.25 123.98 2nut h VAL 840 Ca -0.14 -0.30 -0.12 0.00 -1.01 0.00 0.00 66.70 65.14 2nut h VAL 840 Cb 1.05 -0.14 -0.00 0.00 -2.01 0.00 0.00 31.29 30.19 2nut h VAL 840 CO 0.85 0.16 -0.31 1.56 -1.01 0.00 0.00 177.57 178.81 2nut h GLN 841 N 0.87 0.61 -0.71 4.17 4.20 -1.93 -2.06 115.11 120.25 2nut h GLN 841 Ca 0.54 -0.35 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 2nut h GLN 841 Cb 0.71 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.49 2nut h GLN 841 CO -0.32 0.96 0.33 0.00 -0.67 0.00 0.00 178.83 179.13 2nut h ALA 842 N 0.64 0.92 -0.79 3.87 0.00 -1.78 -1.08 119.26 121.04 2nut h ALA 842 Ca 0.02 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2nut h ALA 842 Cb 0.89 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2nut h ALA 842 CO 0.07 0.50 0.33 0.82 0.00 0.00 0.00 179.25 180.97 2nut h ILE 843 N 1.00 1.26 -0.47 0.00 2.04 -1.16 -1.25 117.51 118.93 2nut h ILE 843 Ca 0.24 -0.79 -0.08 0.00 1.00 0.00 0.00 64.86 65.23 2nut h ILE 843 Cb 0.14 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 2nut h ILE 843 CO -0.03 0.33 -0.04 0.28 0.00 0.00 0.00 178.15 178.69 2nut h SER 844 N 1.14 0.78 -0.17 1.72 0.02 -0.94 -1.02 113.55 115.08 2nut h SER 844 Ca 0.26 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2nut h SER 844 Cb 0.20 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2nut h SER 844 CO -0.02 0.87 0.01 1.23 -1.14 0.00 0.00 176.83 177.77 2nut h GLY 845 N 0.98 0.33 1.42 -3.77 0.00 -0.73 -1.39 103.07 99.90 2nut h GLY 845 Ca 0.14 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 2nut h GLY 845 CO 0.03 0.22 0.00 -2.00 0.00 0.00 0.00 176.54 174.79 2nut h LEU 846 N 0.06 0.68 -0.76 3.11 5.85 -1.12 -2.30 115.31 120.84 2nut h LEU 846 Ca 0.05 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.52 2nut h LEU 846 Cb 0.37 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2nut h LEU 846 CO 0.01 0.75 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.75 2nut h LEU 847 N 0.68 0.89 -0.51 2.25 3.38 -1.06 -0.67 115.31 120.26 2nut h LEU 847 Ca 0.14 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 2nut h LEU 847 Cb 0.42 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2nut h LEU 847 CO 0.02 0.97 0.29 0.00 0.09 0.00 0.00 178.44 179.81 2nut h ALA 848 N 1.12 0.65 -0.57 1.53 0.00 -0.89 0.17 119.26 121.27 2nut h ALA 848 Ca 0.15 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2nut h ALA 848 Cb 0.55 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2nut h ALA 848 CO 0.03 0.16 0.22 -0.91 0.00 0.00 0.00 179.25 178.75 2nut h ASN 849 N 0.68 0.80 -0.70 0.00 2.35 -1.12 -1.60 115.58 115.99 2nut h ASN 849 Ca 0.18 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 2nut h ASN 849 Cb 0.02 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 2nut h ASN 849 CO -0.03 0.76 0.23 0.24 -1.65 0.00 0.00 177.43 176.98 2nut h MET 850 N 0.79 1.10 -0.13 0.81 2.86 -0.73 -2.79 114.93 116.84 2nut h MET 850 Ca 0.19 -0.23 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 2nut h MET 850 Cb 0.22 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2nut h MET 850 CO -0.01 0.94 -0.33 0.00 1.06 0.00 0.00 176.91 178.57 2nut h ALA 851 N 1.18 1.20 -0.41 6.32 0.00 -0.36 -1.32 119.26 125.86 2nut h ALA 851 Ca 0.23 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 2nut h ALA 851 Cb 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2nut h ALA 851 CO -0.01 0.53 -0.15 0.28 0.00 0.00 0.00 179.25 179.90 2nut h VAL 852 N 0.23 1.28 -0.66 0.00 2.07 -1.06 -1.11 116.25 117.00 2nut h VAL 852 Ca 0.03 -1.28 -0.08 0.00 0.82 0.00 0.00 66.70 66.20 2nut h VAL 852 Cb 0.69 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 2nut h VAL 852 CO 0.05 0.43 0.11 0.44 0.02 0.00 0.00 177.57 178.62 2nut h ASP 853 N 0.65 1.04 -0.43 0.57 3.32 -1.26 -2.61 116.42 117.69 2nut h ASP 853 Ca 0.10 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 2nut h ASP 853 Cb 0.70 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 2nut h ASP 853 CO 0.05 1.03 0.19 -0.09 -1.72 0.00 0.00 179.24 178.70 2nut h ARG 854 N 1.00 0.68 -0.68 3.56 9.65 -1.08 0.33 114.38 127.85 2nut h ARG 854 Ca 0.20 -0.09 -0.07 0.00 -1.10 0.00 0.00 59.98 58.91 2nut h ARG 854 Cb 0.43 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.86 2nut h ARG 854 CO 0.01 0.56 0.14 0.77 2.80 0.00 0.00 179.97 184.26 2nut h SER 855 N 0.68 1.05 0.69 -3.80 0.02 -0.84 0.44 113.55 111.80 2nut h SER 855 Ca 0.16 -0.24 -0.20 0.00 -0.84 0.00 0.00 61.79 60.67 2nut h SER 855 Cb 0.14 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 2nut h SER 855 CO -0.02 1.03 -0.92 0.24 -1.14 0.00 0.00 176.83 176.02 2nut h MET 856 N 1.03 0.14 0.14 3.45 2.86 -1.17 -3.22 114.93 118.16 2nut h MET 856 Ca 0.21 -0.17 -0.19 0.00 -2.06 0.00 0.00 59.70 57.49 2nut h MET 856 Cb 0.40 0.05 0.02 0.00 0.06 0.00 0.00 31.60 32.13 2nut h MET 856 CO 0.01 0.96 -0.83 1.15 1.06 0.00 0.00 176.91 179.25 2nut h THR 857 N 0.07 1.50 0.00 2.22 2.02 -0.76 -3.46 112.91 114.49 2nut h THR 857 Ca -0.04 -2.54 0.00 0.00 0.77 0.00 0.00 66.41 64.60 2nut h THR 857 Cb 1.57 3.19 0.00 0.00 -1.74 0.00 0.00 68.15 71.18 2nut h THR 857 CO 0.13 0.72 0.00 0.00 0.37 0.00 0.00 175.52 176.74 2nut n ALA 858 N -2.68 1.21 -3.63 6.16 0.00 0.15 -5.06 120.51 116.66 2nut n ALA 858 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.27 2nut n ALA 858 Cb 0.83 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.26 2nut n ALA 858 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2nut s SER 859 N 0.54 -0.16 0.24 0.00 1.04 -1.08 -4.95 113.70 109.33 2nut s SER 859 Ca 0.00 -0.16 -0.06 0.00 0.48 0.00 0.00 55.95 56.21 2nut s SER 859 Cb 0.00 0.29 0.33 0.00 0.10 0.00 0.00 66.02 66.74 2nut s SER 859 CO 0.00 -0.51 1.83 0.25 0.98 0.00 0.00 173.24 175.79 2nut h LEU 860 N 2.00 0.75 -0.01 2.42 5.85 -1.86 -0.86 115.31 123.60 2nut h LEU 860 Ca -0.23 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.54 2nut h LEU 860 Cb 1.21 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 2nut h LEU 860 CO 0.27 0.47 -0.13 0.28 -0.34 0.00 0.00 178.44 178.99 2nut h SER 861 N 0.88 -0.37 -0.35 1.25 0.02 -1.96 -0.27 113.55 112.76 2nut h SER 861 Ca 0.37 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.38 2nut h SER 861 Cb 0.22 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 2nut h SER 861 CO -0.19 -0.18 0.23 0.44 -1.14 0.00 0.00 176.83 175.99 2nut h ASP 862 N -0.21 0.38 0.06 3.07 3.32 -1.76 -0.93 116.42 120.34 2nut h ASP 862 Ca 0.05 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 2nut h ASP 862 Cb 0.27 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2nut h ASP 862 CO -0.13 0.27 -0.03 0.00 -1.72 0.00 0.00 179.24 177.63 2nut h ALA 863 N 1.79 -0.08 -0.76 3.45 0.00 -0.36 -2.21 119.26 121.08 2nut h ALA 863 Ca 0.13 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2nut h ALA 863 Cb -0.01 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2nut h ALA 863 CO -0.03 -0.34 0.50 0.00 0.00 0.00 0.00 179.25 179.38 2nut h ARG 864 N -0.48 0.95 -0.11 0.00 3.08 -0.69 -2.05 114.38 115.09 2nut h ARG 864 Ca -0.01 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 2nut h ARG 864 Cb 0.42 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 2nut h ARG 864 CO 0.01 0.63 0.01 -0.44 -1.07 0.00 0.00 179.97 179.11 2nut h ASP 865 N 0.98 0.18 0.07 7.04 3.32 -1.15 -2.51 116.42 124.34 2nut h ASP 865 Ca 0.29 -0.28 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2nut h ASP 865 Cb -0.03 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 2nut h ASP 865 CO -0.07 0.42 -0.07 0.00 -1.72 0.00 0.00 179.24 177.79 2nut h ALA 866 N 0.77 1.88 -0.10 3.45 0.00 -1.10 0.17 119.26 124.33 2nut h ALA 866 Ca 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2nut h ALA 866 Cb 0.32 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2nut h ALA 866 CO 0.00 0.09 -0.03 -0.07 0.00 0.00 0.00 179.25 179.25 2nut h LEU 867 N 0.00 0.20 -1.00 0.00 3.38 -1.18 -1.81 115.31 114.90 2nut h LEU 867 Ca 0.00 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.52 2nut h LEU 867 Cb 0.13 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2nut h LEU 867 CO 0.01 0.53 -0.02 0.58 0.09 0.00 0.00 178.44 179.63 2nut h VAL 868 N -0.14 1.23 0.00 1.22 2.07 -0.95 -2.87 116.25 116.81 2nut h VAL 868 Ca 0.02 -0.97 -0.08 0.00 0.82 0.00 0.00 66.70 66.49 2nut h VAL 868 Cb 0.45 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2nut h VAL 868 CO 0.01 0.34 -0.38 0.78 0.02 0.00 0.00 177.57 178.34 2nut h ASN 869 N 0.65 0.00 -0.07 0.57 2.35 -0.59 -1.96 115.58 116.54 2nut h ASN 869 Ca 0.13 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.77 2nut h ASN 869 Cb 0.44 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 2nut h ASN 869 CO 0.02 0.38 -0.28 0.00 -1.65 0.00 0.00 177.43 175.90 2nut h ALA 870 N 1.62 1.03 0.04 -0.83 0.00 -1.10 0.31 119.26 120.33 2nut h ALA 870 Ca -0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2nut h ALA 870 Cb 0.85 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2nut h ALA 870 CO 0.05 0.58 -0.02 0.28 0.00 0.00 0.00 179.25 180.15 2nut h VAL 871 N 0.46 1.36 0.10 0.00 2.07 -1.48 -2.65 116.25 116.11 2nut h VAL 871 Ca 0.06 -1.47 0.01 0.00 0.82 0.00 0.00 66.70 66.12 2nut h VAL 871 Cb 0.72 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 2nut h VAL 871 CO 0.06 0.36 -0.13 0.40 0.02 0.00 0.00 177.57 178.28 2nut h ILE 872 N -0.72 0.71 -0.91 4.57 1.08 -1.31 -1.83 117.51 119.09 2nut h ILE 872 Ca -0.01 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.53 2nut h ILE 872 Cb 0.63 0.71 -0.06 0.00 -3.07 0.00 0.00 36.82 35.03 2nut h ILE 872 CO 0.01 0.00 0.59 0.44 -0.69 0.00 0.00 178.15 178.50 2nut h ASP 873 N -0.26 0.91 -0.08 1.72 3.32 -0.49 0.44 116.42 121.98 2nut h ASP 873 Ca 0.01 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.91 2nut h ASP 873 Cb 0.27 -0.19 0.01 0.00 0.22 0.00 0.00 39.33 39.64 2nut h ASP 873 CO -0.06 0.58 -0.59 -1.28 -1.72 0.00 0.00 179.24 176.18 2nut h SER 874 N 1.04 0.66 -0.13 6.45 0.87 -1.30 -1.16 113.55 119.97 2nut h SER 874 Ca 0.40 -0.67 -0.14 0.00 -1.23 0.00 0.00 61.79 60.14 2nut h SER 874 Cb 0.21 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2nut h SER 874 CO -0.15 1.23 -0.42 -0.07 -0.53 0.00 0.00 176.83 176.89 2nut h LEU 875 N 0.13 0.71 -0.20 2.23 3.38 -1.16 -1.32 115.31 119.08 2nut h LEU 875 Ca -0.05 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 2nut h LEU 875 Cb 1.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2nut h LEU 875 CO 0.12 1.04 0.12 -1.28 0.09 0.00 0.00 178.44 178.52 2nut h SER 876 N 0.54 0.25 -0.89 -0.43 0.87 -0.93 0.31 113.55 113.27 2nut h SER 876 Ca 0.04 -0.07 0.02 0.00 -1.23 0.00 0.00 61.79 60.55 2nut h SER 876 Cb 0.95 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.80 2nut h SER 876 CO 0.09 0.25 0.59 0.00 -0.53 0.00 0.00 176.83 177.23 2nut h ALA 877 N 1.01 1.15 0.29 6.23 0.00 -1.08 -1.05 119.26 125.82 2nut h ALA 877 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2nut h ALA 877 Cb 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2nut h ALA 877 CO -0.01 0.49 -0.15 -0.92 0.00 0.00 0.00 179.25 178.66 2nut h TYR 878 N 1.18 -0.39 -0.77 0.00 3.20 -0.60 -2.99 116.97 116.59 2nut h TYR 878 Ca 0.34 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.31 2nut h TYR 878 Cb -0.08 0.13 -0.08 0.00 1.54 0.00 0.00 36.73 38.24 2nut h TYR 878 CO -0.01 -0.24 0.39 -0.09 -1.64 0.00 0.00 178.16 176.57 2nut h ARG 879 N -0.41 0.61 0.00 1.82 2.43 0.20 -0.58 114.38 118.45 2nut h ARG 879 Ca -0.04 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2nut h ARG 879 Cb 0.32 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2nut h ARG 879 CO 0.06 0.40 0.00 0.43 -1.51 0.00 0.00 179.97 179.35 2nut n SER 880 N -4.85 0.00 -2.45 -3.80 7.64 -0.45 -2.76 113.62 106.95 2nut n SER 880 Ca 0.13 -0.52 -0.02 0.00 1.01 0.00 0.00 58.87 59.47 2nut n SER 880 Cb 0.33 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.57 2nut n SER 880 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2nut n SER 881 N -0.83 1.92 0.00 6.43 2.88 -0.23 -5.09 113.62 118.71 2nut n SER 881 Ca 0.06 -2.30 0.00 0.00 -1.33 0.00 0.00 58.87 55.30 2nut n SER 881 Cb 0.03 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 2nut n SER 881 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2nut n VAL 882 N -0.45 0.00 -0.21 2.46 0.24 -1.11 -5.02 118.33 114.23 2nut n VAL 882 Ca 0.12 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.37 2nut n VAL 882 Cb 0.88 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 33.20 2nut n VAL 882 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2nut n PRO 888 N 0.00 -0.22 0.00 7.34 -0.04 -1.26 -5.02 135.00 135.80 2nut n PRO 888 Ca 0.00 0.89 0.00 0.00 -0.04 0.00 0.00 63.50 64.35 2nut n PRO 888 Cb 0.00 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 2nut n PRO 888 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nut n GLY 889 N -1.12 -0.30 3.31 0.55 0.00 -1.26 -5.00 105.19 101.37 2nut n GLY 889 Ca 0.01 -1.66 -0.46 0.00 0.00 0.00 0.00 46.02 43.91 2nut n GLY 889 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2nut s LEU 890 N 0.00 6.42 0.04 0.99 2.96 -1.26 -5.03 118.68 122.79 2nut s LEU 890 Ca 0.00 -2.25 -0.20 0.00 -0.22 0.00 0.00 54.13 51.47 2nut s LEU 890 Cb 0.00 -2.19 -0.06 0.00 0.50 0.00 0.00 46.19 44.44 2nut s LEU 890 CO 0.00 -0.71 0.57 -0.04 -1.32 0.00 0.00 176.35 174.86 2nut s MET 891 N 0.87 4.25 -0.02 1.98 -1.94 -1.26 -0.82 119.30 122.36 2nut s MET 891 Ca 0.10 0.72 -0.17 0.00 -1.71 0.00 0.00 55.69 54.64 2nut s MET 891 Cb -0.20 -3.28 0.03 0.00 2.01 0.00 0.00 34.83 33.38 2nut s MET 891 CO -0.03 0.52 0.35 0.14 -0.01 0.00 0.00 175.02 175.99 2nut s VAL 892 N -0.70 0.05 0.77 -6.03 -7.23 -0.35 -4.80 120.40 102.10 2nut s VAL 892 Ca 0.30 -0.41 -0.11 0.00 -1.81 0.00 0.00 61.98 59.95 2nut s VAL 892 Cb -0.19 -0.65 0.05 0.00 0.56 0.00 0.00 36.38 36.15 2nut s VAL 892 CO 0.18 -0.23 1.09 -2.16 -0.31 0.00 0.00 175.10 173.68 2nut s PRO 893 N -1.28 2.29 0.21 4.82 0.04 -1.26 -0.81 135.00 139.01 2nut s PRO 893 Ca -0.13 1.18 -0.10 0.00 0.04 0.00 0.00 61.00 61.99 2nut s PRO 893 Cb -0.05 -1.90 0.30 0.00 0.04 0.00 0.00 34.50 32.90 2nut s PRO 893 CO 0.05 -1.62 1.69 0.35 0.04 0.00 0.00 177.00 177.51 2nut h PHE 894 N -1.06 0.15 -0.25 0.56 3.57 -1.82 -1.02 116.94 117.07 2nut h PHE 894 Ca -0.44 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.17 2nut h PHE 894 Cb 1.23 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.99 2nut h PHE 894 CO 0.58 -0.07 0.34 0.66 -2.23 0.00 0.00 178.31 177.59 2nut h SER 895 N 0.22 0.00 -0.24 0.41 4.64 -1.87 -1.96 113.55 114.75 2nut h SER 895 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2nut h SER 895 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2nut h SER 895 CO -0.44 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.70 2nut n LEU 896 N -3.56 3.05 0.30 5.97 4.77 -0.41 -4.25 117.00 122.87 2nut n LEU 896 Ca 0.03 -2.43 0.19 0.00 -0.03 0.00 0.00 56.01 53.78 2nut n LEU 896 Cb 0.47 -0.32 1.03 0.00 -2.33 0.00 0.00 43.42 42.27 2nut n LEU 896 CO 0.24 0.68 1.16 0.08 -1.33 0.00 0.00 177.39 178.22 2nut h ARG 897 N 1.47 0.00 -0.07 3.23 0.11 -1.11 -0.91 114.38 117.09 2nut h ARG 897 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2nut h ARG 897 Cb 0.95 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.03 2nut h ARG 897 CO 0.07 0.00 0.00 1.28 0.10 0.00 0.00 179.97 181.42 2nut n LEU 898 N -3.39 2.84 -0.05 0.08 4.77 -1.26 -4.64 117.00 115.35 2nut n LEU 898 Ca -0.02 -1.08 -0.09 0.00 -0.03 0.00 0.00 56.01 54.80 2nut n LEU 898 Cb 0.16 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 2nut n LEU 898 CO 0.22 0.51 0.91 0.15 -1.33 0.00 0.00 177.39 177.85 2nut h PHE 899 N 4.13 0.12 -0.33 -1.77 3.57 -1.48 -1.44 116.94 119.73 2nut h PHE 899 Ca 0.00 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.44 2nut h PHE 899 Cb 0.89 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 2nut h PHE 899 CO 0.03 0.06 -0.12 -1.35 -2.23 0.00 0.00 178.31 174.70 2nut h PRO 900 N 0.17 0.57 -0.36 6.41 0.11 -1.82 -2.22 132.00 134.85 2nut h PRO 900 Ca 0.10 -0.17 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 2nut h PRO 900 Cb 0.07 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 2nut h PRO 900 CO -0.11 0.68 0.10 1.25 -0.21 0.00 0.00 178.00 179.71 2nut h LEU 901 N 0.53 0.54 -0.70 2.35 5.85 -1.75 -1.34 115.31 120.78 2nut h LEU 901 Ca 0.10 -0.22 -0.13 0.00 0.84 0.00 0.00 57.88 58.46 2nut h LEU 901 Cb 0.51 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2nut h LEU 901 CO 0.03 0.62 -0.46 -0.26 -0.34 0.00 0.00 178.44 178.02 2nut h PHE 902 N 0.44 0.53 -0.35 1.25 0.05 -1.17 -1.75 116.94 115.94 2nut h PHE 902 Ca 0.12 -0.16 -0.15 0.00 3.82 0.00 0.00 57.97 61.59 2nut h PHE 902 Cb 0.28 -0.11 -0.01 0.00 2.00 0.00 0.00 35.95 38.11 2nut h PHE 902 CO 0.01 0.82 -0.39 0.28 -0.18 0.00 0.00 178.31 178.86 2nut h VAL 903 N 0.35 1.28 -0.88 -0.55 2.07 -1.31 -1.17 116.25 116.03 2nut h VAL 903 Ca 0.02 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 65.96 2nut h VAL 903 Cb 0.95 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 2nut h VAL 903 CO 0.08 0.51 0.47 0.25 0.02 0.00 0.00 177.57 178.91 2nut h LEU 904 N 0.69 1.11 -0.57 2.57 5.85 -1.09 0.36 115.31 124.24 2nut h LEU 904 Ca 0.06 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 2nut h LEU 904 Cb 0.96 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 2nut h LEU 904 CO 0.09 0.90 0.34 0.00 -0.34 0.00 0.00 178.44 179.43 2nut h ALA 905 N 1.26 0.73 -0.69 1.25 0.00 -1.05 -1.22 119.26 119.54 2nut h ALA 905 Ca 0.31 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.15 2nut h ALA 905 Cb 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2nut h ALA 905 CO -0.05 0.21 0.45 -0.07 0.00 0.00 0.00 179.25 179.80 2nut h LEU 906 N 0.77 0.78 -1.60 0.00 4.07 -0.46 -0.36 115.31 118.50 2nut h LEU 906 Ca 0.20 -0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.12 2nut h LEU 906 Cb -0.01 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 41.53 2nut h LEU 906 CO -0.04 0.56 -0.14 -0.07 -1.08 0.00 0.00 178.44 177.68 2nut h LEU 907 N 0.92 0.00 -0.69 1.67 3.38 -0.31 -2.69 115.31 117.60 2nut h LEU 907 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2nut h LEU 907 Cb -0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.65 2nut h LEU 907 CO -0.06 0.14 -0.53 0.29 0.09 0.00 0.00 178.44 178.37 2nut n LYS 908 N -3.43 0.87 -0.77 1.13 5.02 -0.52 -2.61 118.16 117.86 2nut n LYS 908 Ca -0.01 -0.69 -0.29 0.00 -2.02 0.00 0.00 58.31 55.30 2nut n LYS 908 Cb 0.31 -1.49 0.20 0.00 -0.02 0.00 0.00 35.03 34.04 2nut n LYS 908 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2nut s GLN 909 N -2.60 0.12 0.55 1.97 0.74 -0.22 -4.55 119.66 115.67 2nut s GLN 909 Ca 0.17 1.00 0.35 0.00 0.05 0.00 0.00 55.36 56.93 2nut s GLN 909 Cb 0.18 -1.66 1.54 0.00 1.10 0.00 0.00 33.01 34.16 2nut s GLN 909 CO 0.62 -3.07 2.03 -0.22 -0.55 0.00 0.00 175.29 174.10 2nut h LYS 910 N -2.16 0.00 -0.15 1.67 3.64 -1.91 -0.40 116.57 117.26 2nut h LYS 910 Ca -0.54 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.64 2nut h LYS 910 Cb 1.31 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.13 2nut h LYS 910 CO 0.49 0.00 -0.69 0.77 -2.27 0.00 0.00 179.45 177.76 2nut h SER 911 N 0.00 0.86 -0.00 4.20 0.02 -1.88 -3.40 113.55 113.35 2nut h SER 911 Ca 0.00 -0.63 0.00 0.00 -0.84 0.00 0.00 61.79 60.32 2nut h SER 911 Cb 0.39 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2nut h SER 911 CO 0.00 1.34 -0.22 0.49 -1.14 0.00 0.00 176.83 177.31 2nut n PHE 912 N -4.03 0.00 -1.45 3.45 3.72 -1.13 -4.94 117.46 113.08 2nut n PHE 912 Ca -0.08 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.96 2nut n PHE 912 Cb 0.70 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.31 2nut n PHE 912 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2nut n GLN 913 N -0.93 0.61 0.00 -1.08 10.64 -0.18 -4.86 117.38 121.59 2nut n GLN 913 Ca 0.01 0.25 -0.01 0.00 -1.83 0.00 0.00 57.00 55.43 2nut n GLN 913 Cb 0.09 -2.09 -0.00 0.00 -0.86 0.00 0.00 30.24 27.38 2nut n GLN 913 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 2nut n THR 914 N -2.14 0.25 0.39 -0.39 -2.24 -1.26 -4.78 114.28 104.10 2nut n THR 914 Ca 0.13 0.19 0.02 0.00 -2.27 0.00 0.00 64.05 62.11 2nut n THR 914 Cb 0.49 -1.28 0.11 0.00 -2.10 0.00 0.00 70.33 67.55 2nut n THR 914 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2nut n GLY 915 N 2.88 -0.20 3.95 3.38 0.00 -1.26 -4.80 105.19 109.14 2nut n GLY 915 Ca -0.01 -0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 2nut n GLY 915 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nut s THR 916 N -2.00 2.08 -0.80 2.61 2.01 -1.26 -4.50 115.64 113.78 2nut s THR 916 Ca 0.06 -0.21 0.16 0.00 0.31 0.00 0.00 61.69 62.00 2nut s THR 916 Cb 0.03 -2.86 0.73 0.00 0.01 0.00 0.00 72.50 70.40 2nut s THR 916 CO 0.04 0.00 1.63 -3.20 -0.69 0.00 0.00 174.62 172.40 2nut n ASN 917 N -3.35 4.95 -4.70 3.53 5.15 -1.26 -3.41 115.26 116.17 2nut n ASN 917 Ca 0.14 -2.62 -0.42 0.00 -0.60 0.00 0.00 54.58 51.09 2nut n ASN 917 Cb 0.60 -0.61 0.00 0.00 -0.53 0.00 0.00 39.78 39.24 2nut n ASN 917 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2nut n ALA 918 N 0.87 1.37 -2.26 5.20 0.00 -1.26 -4.90 120.51 119.53 2nut n ALA 918 Ca 0.25 0.31 -0.27 0.00 0.00 0.00 0.00 53.44 53.73 2nut n ALA 918 Cb 0.98 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 18.16 2nut n ALA 918 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2nut s ARG 919 N -2.07 3.41 0.12 0.00 0.52 -1.26 -4.75 118.95 114.92 2nut s ARG 919 Ca 0.58 0.11 -0.34 0.00 -0.52 0.00 0.00 55.73 55.56 2nut s ARG 919 Cb -0.53 -2.38 -0.13 0.00 0.52 0.00 0.00 34.95 32.43 2nut s ARG 919 CO 0.60 -0.28 1.56 1.25 0.02 0.00 0.00 175.30 178.45 2nut h LEU 920 N 0.19 -1.69 -1.92 2.53 5.85 -1.95 -2.36 115.31 115.95 2nut h LEU 920 Ca -0.47 0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 2nut h LEU 920 Cb 1.22 0.65 -0.00 0.00 0.37 0.00 0.00 40.66 42.90 2nut h LEU 920 CO 0.61 -0.50 -0.11 0.44 -0.34 0.00 0.00 178.44 178.55 2nut h ASP 921 N -0.61 0.00 -0.07 1.25 3.32 -1.98 -2.31 116.42 116.02 2nut h ASP 921 Ca 0.03 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 2nut h ASP 921 Cb 0.70 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 2nut h ASP 921 CO -0.41 0.11 0.03 -0.33 -1.72 0.00 0.00 179.24 176.92 2nut h GLU 922 N 0.00 0.09 0.06 3.56 5.08 -1.83 -0.31 114.58 121.23 2nut h GLU 922 Ca -0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2nut h GLU 922 Cb 0.23 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2nut h GLU 922 CO 0.01 0.16 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.06 2nut h ARG 923 N 0.00 -0.08 -0.43 2.33 2.43 -1.10 -1.75 114.38 115.78 2nut h ARG 923 Ca 0.02 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.27 2nut h ARG 923 Cb 0.10 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.61 2nut h ARG 923 CO -0.00 -0.03 0.09 0.82 -1.51 0.00 0.00 179.97 179.34 2nut h ILE 924 N -0.11 0.78 -0.66 1.20 1.08 -1.36 -1.53 117.51 116.90 2nut h ILE 924 Ca -0.01 -0.08 0.03 0.00 -0.39 0.00 0.00 64.86 64.41 2nut h ILE 924 Cb 0.09 0.53 -0.04 0.00 -3.07 0.00 0.00 36.82 34.33 2nut h ILE 924 CO 0.01 0.04 0.41 0.15 -0.69 0.00 0.00 178.15 178.07 2nut h PHE 925 N 0.23 0.76 -0.54 1.37 3.57 -0.83 0.14 116.94 121.64 2nut h PHE 925 Ca 0.21 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 2nut h PHE 925 Cb 0.26 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 2nut h PHE 925 CO -0.20 0.44 0.30 0.00 -2.23 0.00 0.00 178.31 176.62 2nut h ALA 926 N 1.28 1.51 -0.12 2.41 0.00 -0.76 -0.51 119.26 123.08 2nut h ALA 926 Ca 0.26 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 2nut h ALA 926 Cb 0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2nut h ALA 926 CO -0.11 0.41 -0.60 0.52 0.00 0.00 0.00 179.25 179.47 2nut h MET 927 N 0.75 0.41 -0.59 0.00 2.86 -0.24 -1.87 114.93 116.25 2nut h MET 927 Ca 0.19 -0.28 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 2nut h MET 927 Cb 0.01 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 2nut h MET 927 CO -0.03 0.89 0.22 0.00 1.06 0.00 0.00 176.91 179.04 2nut h GLN 929 N 0.82 0.88 -0.70 0.00 1.08 -0.98 -0.74 115.11 115.48 2nut h GLN 929 Ca 0.19 -0.19 0.06 0.00 -1.45 0.00 0.00 58.65 57.27 2nut h GLN 929 Cb 0.24 -0.13 -0.06 0.00 -0.05 0.00 0.00 27.48 27.48 2nut h GLN 929 CO -0.01 0.79 0.40 0.28 -0.95 0.00 0.00 178.83 179.34 2nut h VAL 930 N 0.80 0.99 0.00 -0.54 2.07 -1.08 0.85 116.25 119.33 2nut h VAL 930 Ca 0.18 -0.25 -0.10 0.00 0.82 0.00 0.00 66.70 67.35 2nut h VAL 930 Cb 0.27 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2nut h VAL 930 CO -0.01 0.14 -0.49 0.11 0.02 0.00 0.00 177.57 177.34 2nut h LYS 931 N 0.74 0.00 0.00 1.57 1.79 -1.03 -3.37 116.57 116.27 2nut h LYS 931 Ca 0.31 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.78 2nut h LYS 931 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 2nut h LYS 931 CO -0.18 0.49 -1.41 -1.71 -1.08 0.00 0.00 179.45 175.57 2nut n ASN 932 N -3.50 1.60 -4.88 0.86 4.05 -0.31 -3.68 115.26 109.40 2nut n ASN 932 Ca 0.00 -0.18 -0.30 0.00 0.45 0.00 0.00 54.58 54.55 2nut n ASN 932 Cb 0.61 1.49 -0.04 0.00 1.23 0.00 0.00 39.78 43.07 2nut n ASN 932 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2nut s GLN 933 N -2.80 3.76 0.32 1.20 -0.21 0.25 0.08 119.66 122.27 2nut s GLN 933 Ca -0.03 0.31 -0.27 0.00 0.02 0.00 0.00 55.36 55.39 2nut s GLN 933 Cb 0.09 -2.52 -0.09 0.00 1.00 0.00 0.00 33.01 31.49 2nut s GLN 933 CO 0.56 0.13 1.08 -2.14 -2.12 0.00 0.00 175.29 172.80 2nut s PRO 934 N -3.48 4.46 0.17 2.91 0.02 -1.26 -4.30 135.00 133.51 2nut s PRO 934 Ca 0.49 1.70 -0.09 0.00 0.02 0.00 0.00 61.00 63.12 2nut s PRO 934 Cb -0.11 -2.95 0.22 0.00 0.02 0.00 0.00 34.50 31.68 2nut s PRO 934 CO 0.28 0.08 1.03 -0.11 -0.33 0.00 0.00 177.00 177.94 2nut n LEU 935 N 0.72 -0.35 -0.20 -5.54 0.00 -1.26 -1.29 117.00 109.08 2nut n LEU 935 Ca 0.01 1.14 0.01 0.00 0.00 0.00 0.00 56.01 57.17 2nut n LEU 935 Cb 0.46 -0.30 0.10 0.00 0.00 0.00 0.00 43.42 43.68 2nut n LEU 935 CO 0.51 -1.06 0.84 1.62 0.00 0.00 0.00 177.39 179.30 2nut h VAL 936 N 0.00 0.51 0.00 1.96 3.04 -1.96 -1.26 116.25 118.53 2nut h VAL 936 Ca 0.27 -0.04 -0.09 0.00 -1.01 0.00 0.00 66.70 65.83 2nut h VAL 936 Cb 0.43 0.38 -0.01 0.00 -2.01 0.00 0.00 31.29 30.07 2nut h VAL 936 CO -0.67 0.02 -0.43 1.88 -1.01 0.00 0.00 177.57 177.37 2nut h TYR 937 N 0.12 0.00 -0.57 3.17 -1.99 -1.57 -2.39 116.97 113.74 2nut h TYR 937 Ca 0.32 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.95 2nut h TYR 937 Cb 0.51 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.22 2nut h TYR 937 CO -0.36 0.43 -0.03 1.25 -0.00 0.00 0.00 178.16 179.45 2nut h LEU 938 N 0.00 1.01 -0.39 3.88 5.85 -1.09 -1.88 115.31 122.68 2nut h LEU 938 Ca -0.00 -0.32 -0.10 0.00 0.84 0.00 0.00 57.88 58.29 2nut h LEU 938 Cb 1.11 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2nut h LEU 938 CO 0.06 1.09 -0.16 0.24 -0.34 0.00 0.00 178.44 179.32 2nut h MET 939 N 0.91 0.80 -0.69 1.25 2.86 -1.17 -0.17 114.93 118.72 2nut h MET 939 Ca 0.16 -0.34 -0.03 0.00 -2.06 0.00 0.00 59.70 57.43 2nut h MET 939 Cb 0.59 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 2nut h MET 939 CO 0.04 0.96 0.32 -0.07 1.06 0.00 0.00 176.91 179.21 2nut h LEU 940 N 0.61 0.90 -0.11 1.22 -0.00 -1.32 0.30 115.31 116.90 2nut h LEU 940 Ca 0.09 -0.11 -0.12 0.00 -0.00 0.00 0.00 57.88 57.75 2nut h LEU 940 Cb 0.70 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 2nut h LEU 940 CO 0.05 0.78 -0.39 0.74 -0.00 0.00 0.00 178.44 179.62 2nut h THR 941 N 0.99 1.38 -0.19 0.22 2.02 -1.22 -2.56 112.91 113.53 2nut h THR 941 Ca 0.24 -1.71 -0.12 0.00 0.77 0.00 0.00 66.41 65.59 2nut h THR 941 Cb 0.13 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2nut h THR 941 CO -0.03 0.51 -0.34 0.74 0.37 0.00 0.00 175.52 176.77 2nut h THR 942 N 0.05 1.33 -2.50 3.16 2.02 -0.87 -3.39 112.91 112.71 2nut h THR 942 Ca -0.02 -1.57 -0.60 0.00 0.77 0.00 0.00 66.41 65.00 2nut h THR 942 Cb 1.02 1.86 -0.40 0.00 -1.74 0.00 0.00 68.15 68.90 2nut h THR 942 CO 0.08 0.48 -0.84 1.57 0.37 0.00 0.00 175.52 177.19 2nut n HIS 943 N -4.30 0.85 -1.54 3.16 -0.00 0.10 -4.76 115.22 108.73 2nut n HIS 943 Ca -0.06 -3.73 -0.40 0.00 -0.00 0.00 0.00 57.72 53.53 2nut n HIS 943 Cb 0.50 -0.17 0.02 0.00 -0.00 0.00 0.00 29.99 30.34 2nut n HIS 943 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2nut n PRO 944 N 2.16 0.92 -3.10 1.57 -0.02 -0.97 -4.58 135.00 130.98 2nut n PRO 944 Ca 0.26 0.34 -0.39 0.00 -2.02 0.00 0.00 63.50 61.68 2nut n PRO 944 Cb 0.44 -1.86 -0.05 0.00 -0.02 0.00 0.00 33.50 32.01 2nut n PRO 944 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2nut s SER 945 N -0.95 7.04 -0.12 2.55 0.01 -0.76 -4.87 113.70 116.60 2nut s SER 945 Ca 0.66 1.24 0.02 0.00 1.31 0.00 0.00 55.95 59.18 2nut s SER 945 Cb -0.53 -2.40 -0.01 0.00 0.21 0.00 0.00 66.02 63.29 2nut s SER 945 CO 0.55 0.02 -0.18 -0.22 0.41 0.00 0.00 173.24 173.82 2nut s LEU 946 N 0.13 2.43 0.03 2.44 2.96 -1.26 -0.07 118.68 125.35 2nut s LEU 946 Ca 0.35 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 2nut s LEU 946 Cb -0.19 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 2nut s LEU 946 CO 0.19 0.16 -0.12 -0.31 -1.32 0.00 0.00 176.35 174.95 2nut s TYR 947 N 0.35 1.03 0.07 5.38 2.02 0.05 0.16 117.35 126.41 2nut s TYR 947 Ca -0.15 -0.34 -0.24 0.00 -0.37 0.00 0.00 57.07 55.97 2nut s TYR 947 Cb -0.17 -0.62 -0.06 0.00 -0.40 0.00 0.00 41.96 40.71 2nut s TYR 947 CO 0.07 0.01 0.74 0.50 -1.57 0.00 0.00 175.55 175.30 2nut s ARG 948 N -1.04 4.48 0.00 -0.62 3.52 -1.26 -0.48 118.95 123.56 2nut s ARG 948 Ca -0.00 1.04 0.00 0.00 -0.13 0.00 0.00 55.73 56.64 2nut s ARG 948 Cb -0.07 -3.33 0.00 0.00 -1.56 0.00 0.00 34.95 29.98 2nut s ARG 948 CO 0.01 0.37 0.73 1.33 -0.81 0.00 0.00 175.30 176.93 2nut n VAL 949 N 2.49 0.48 1.32 7.11 0.24 -0.30 -4.74 118.33 124.94 2nut n VAL 949 Ca -0.04 -0.50 0.13 0.00 -2.04 0.00 0.00 64.34 61.90 2nut n VAL 949 Cb 0.50 0.78 0.46 0.00 -1.47 0.00 0.00 33.84 34.11 2nut n VAL 949 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 2nut n ASP 950 N -0.24 0.89 -2.70 -1.34 5.75 -1.24 -4.21 116.55 113.45 2nut n ASP 950 Ca 0.00 -0.84 -0.07 0.00 -0.01 0.00 0.00 54.79 53.87 2nut n ASP 950 Cb 0.36 0.06 0.04 0.00 -1.03 0.00 0.00 41.12 40.55 2nut n ASP 950 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2nut n ASN 951 N -0.68 1.60 -4.77 -1.12 6.94 -1.26 -4.91 115.26 111.06 2nut n ASN 951 Ca 0.13 -2.53 -0.34 0.00 -0.02 0.00 0.00 54.58 51.82 2nut n ASN 951 Cb 0.33 -0.51 0.03 0.00 -2.36 0.00 0.00 39.78 37.27 2nut n ASN 951 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2nut s LEU 952 N -3.35 3.51 0.00 -4.53 1.43 -1.26 -5.04 118.68 109.45 2nut s LEU 952 Ca 0.28 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.44 2nut s LEU 952 Cb 0.41 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 42.07 2nut s LEU 952 CO 0.01 -1.50 0.00 -1.54 0.23 0.00 0.00 176.35 173.55 2nut n SER 953 N -2.04 0.52 -1.48 2.29 3.41 -1.26 -5.08 113.62 109.99 2nut n SER 953 Ca 0.11 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.77 2nut n SER 953 Cb 0.52 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.79 2nut n SER 953 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2nut n ASP 954 N 0.00 4.69 -0.30 4.04 8.00 -1.26 -4.43 116.55 127.29 2nut n ASP 954 Ca 0.00 -3.06 0.02 0.00 0.71 0.00 0.00 54.79 52.45 2nut n ASP 954 Cb 0.00 -0.64 0.05 0.00 -0.02 0.00 0.00 41.12 40.51 2nut n ASP 954 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2nut n GLU 955 N -0.06 1.32 0.00 -1.24 4.71 -1.26 -4.88 120.64 119.23 2nut n GLU 955 Ca 0.28 -0.41 0.00 0.00 -0.01 0.00 0.00 57.16 57.02 2nut n GLU 955 Cb 1.11 -1.19 0.00 0.00 -1.01 0.00 0.00 31.44 30.35 2nut n GLU 955 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2nut n GLY 956 N 0.56 -1.10 2.53 0.62 0.00 -1.26 -4.59 105.19 101.96 2nut n GLY 956 Ca 0.04 -1.62 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 2nut n GLY 956 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nut n ALA 957 N -3.00 6.59 -0.82 4.61 0.00 0.24 -4.76 120.51 123.37 2nut n ALA 957 Ca 0.00 -3.84 -0.14 0.00 0.00 0.00 0.00 53.44 49.46 2nut n ALA 957 Cb 0.00 -2.45 -0.10 0.00 0.00 0.00 0.00 19.45 16.90 2nut n ALA 957 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2nut n LEU 958 N 1.07 4.66 -0.02 0.00 -0.00 0.16 -2.93 117.00 119.94 2nut n LEU 958 Ca 0.56 -2.79 0.00 0.00 -0.00 0.00 0.00 56.01 53.78 2nut n LEU 958 Cb 0.34 -1.14 -0.05 0.00 -0.00 0.00 0.00 43.42 42.58 2nut n LEU 958 CO 0.54 1.20 -0.64 -3.20 -0.00 0.00 0.00 177.39 175.29 2nut n ASN 959 N 2.95 3.51 -3.61 1.45 2.85 -1.25 -4.81 115.26 116.34 2nut n ASN 959 Ca 0.40 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.43 2nut n ASN 959 Cb 0.57 0.98 -0.08 0.00 1.24 0.00 0.00 39.78 42.49 2nut n ASN 959 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 2nut n ILE 960 N -1.97 1.22 0.00 -1.44 2.08 -1.15 -4.81 119.36 113.29 2nut n ILE 960 Ca -0.05 -1.07 0.00 0.00 0.56 0.00 0.00 62.75 62.19 2nut n ILE 960 Cb 0.43 -2.21 0.00 0.00 -0.75 0.00 0.00 39.64 37.11 2nut n ILE 960 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 2nut n SER 961 N 8.23 0.00 -1.22 4.38 3.41 -1.26 -0.56 113.62 126.60 2nut n SER 961 Ca 0.49 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 59.19 2nut n SER 961 Cb 0.41 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.65 2nut n SER 961 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2nut n ASP 962 N 0.71 3.86 -4.33 4.04 5.68 -1.26 -4.95 116.55 120.30 2nut n ASP 962 Ca 0.00 -2.10 -0.27 0.00 -0.50 0.00 0.00 54.79 51.92 2nut n ASP 962 Cb 0.00 -0.45 -0.13 0.00 -1.14 0.00 0.00 41.12 39.40 2nut n ASP 962 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2nut s ARG 963 N -1.19 1.36 -0.26 0.11 0.52 0.27 -5.07 118.95 114.68 2nut s ARG 963 Ca 0.43 -1.19 -0.13 0.00 -0.52 0.00 0.00 55.73 54.32 2nut s ARG 963 Cb 0.24 -1.68 -0.14 0.00 0.52 0.00 0.00 34.95 33.89 2nut s ARG 963 CO 0.27 0.41 -0.23 2.41 0.02 0.00 0.00 175.30 178.17 2nut n THR 964 N 1.23 1.53 -2.52 0.02 -1.04 -1.26 -3.73 114.28 108.51 2nut n THR 964 Ca -0.18 -0.37 -0.02 0.00 -2.04 0.00 0.00 64.05 61.43 2nut n THR 964 Cb 0.53 -1.83 -0.02 0.00 -1.82 0.00 0.00 70.33 67.19 2nut n THR 964 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2nut n ILE 965 N -4.11-11.34 -1.96 12.58 -0.00 -1.26 0.38 119.36 113.65 2nut n ILE 965 Ca -0.50 2.04 -0.36 0.00 -0.00 0.00 0.00 62.75 63.94 2nut n ILE 965 Cb 0.88 -6.42 0.04 0.00 -0.00 0.00 0.00 39.64 34.13 2nut n ILE 965 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 2nut s PRO 966 N -1.10 2.91 -0.58 0.38 0.04 -1.26 -0.59 135.00 134.80 2nut s PRO 966 Ca -0.12 1.81 0.06 0.00 0.04 0.00 0.00 61.00 62.79 2nut s PRO 966 Cb 0.01 -1.92 0.24 0.00 0.04 0.00 0.00 34.50 32.87 2nut s PRO 966 CO 0.70 -1.25 0.67 1.04 0.04 0.00 0.00 177.00 178.20 2nut n GLN 967 N -1.70 2.01 -1.77 4.56 1.13 -1.26 -4.77 117.38 115.59 2nut n GLN 967 Ca 0.14 -4.29 -0.35 0.00 -1.94 0.00 0.00 57.00 50.56 2nut n GLN 967 Cb 0.50 -1.99 0.06 0.00 0.11 0.00 0.00 30.24 28.91 2nut n GLN 967 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2nut s PRO 968 N -2.07 2.67 0.25 -1.09 0.04 -1.26 -4.81 135.00 128.72 2nut s PRO 968 Ca 0.38 1.68 -0.30 0.00 0.04 0.00 0.00 61.00 62.81 2nut s PRO 968 Cb 0.14 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.69 2nut s PRO 968 CO -0.05 -1.41 1.09 -1.25 0.04 0.00 0.00 177.00 175.42 2nut s PRO 969 N -3.71 4.65 0.15 0.56 0.04 -1.26 -5.00 135.00 130.43 2nut s PRO 969 Ca 0.74 1.76 -0.31 0.00 0.04 0.00 0.00 61.00 63.22 2nut s PRO 969 Cb -0.27 -3.22 -0.09 0.00 0.04 0.00 0.00 34.50 30.96 2nut s PRO 969 CO 0.39 0.20 1.43 0.42 0.04 0.00 0.00 177.00 179.48 2nut s ILE 970 N -0.94 3.07 0.15 0.56 1.09 -0.64 -4.53 121.20 119.96 2nut s ILE 970 Ca 0.45 0.79 0.04 0.00 -1.10 0.00 0.00 60.65 60.83 2nut s ILE 970 Cb -0.31 -3.50 -0.04 0.00 -1.06 0.00 0.00 42.46 37.55 2nut s ILE 970 CO 0.39 0.07 0.17 -0.76 -0.10 0.00 0.00 174.94 174.71 2nut s LEU 971 N 0.87 3.94 0.48 2.97 1.43 0.12 -4.56 118.68 123.94 2nut s LEU 971 Ca 0.65 -0.04 -0.19 0.00 -1.03 0.00 0.00 54.13 53.52 2nut s LEU 971 Cb -0.39 -2.55 -0.09 0.00 0.03 0.00 0.00 46.19 43.19 2nut s LEU 971 CO 0.32 0.08 0.98 -1.10 0.23 0.00 0.00 176.35 176.86 2nut s GLN 972 N -3.07 3.99 -0.94 1.70 -0.21 -1.26 -4.00 119.66 115.87 2nut s GLN 972 Ca 0.32 1.09 -0.21 0.00 0.02 0.00 0.00 55.36 56.58 2nut s GLN 972 Cb -0.11 -2.14 -0.12 0.00 1.00 0.00 0.00 33.01 31.65 2nut s GLN 972 CO 0.25 -0.24 1.95 1.28 -2.12 0.00 0.00 175.29 176.40 2nut n LEU 973 N -1.17 4.23 -3.82 2.90 4.77 -1.26 -4.82 117.00 117.83 2nut n LEU 973 Ca 0.07 -3.12 -0.13 0.00 -0.03 0.00 0.00 56.01 52.81 2nut n LEU 973 Cb 0.54 -1.31 -0.13 0.00 -2.33 0.00 0.00 43.42 40.19 2nut n LEU 973 CO 0.42 -0.45 -0.23 -0.55 -1.33 0.00 0.00 177.39 175.25 2nut s SER 974 N 5.05 -0.12 0.32 -1.43 0.15 -1.26 -2.09 113.70 114.31 2nut s SER 974 Ca 0.58 0.25 0.23 0.00 0.70 0.00 0.00 55.95 57.71 2nut s SER 974 Cb 0.11 0.24 1.17 0.00 -1.71 0.00 0.00 66.02 65.83 2nut s SER 974 CO 0.10 -0.06 1.69 0.52 1.20 0.00 0.00 173.24 176.69 2nut n VAL 975 N 3.20 0.98 0.51 4.45 0.31 -1.26 -0.22 118.33 126.30 2nut n VAL 975 Ca -0.15 0.65 0.11 0.00 -0.01 0.00 0.00 64.34 64.95 2nut n VAL 975 Cb 0.58 -1.64 0.45 0.00 -0.91 0.00 0.00 33.84 32.32 2nut n VAL 975 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2nut n GLU 976 N -2.28 0.15 0.01 5.55 1.02 -1.26 -2.28 120.64 121.54 2nut n GLU 976 Ca -0.01 0.32 0.11 0.00 -0.02 0.00 0.00 57.16 57.56 2nut n GLU 976 Cb 0.07 -1.75 -0.11 0.00 -0.02 0.00 0.00 31.44 29.63 2nut n GLU 976 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2nut n LYS 977 N -2.03 0.41 -0.47 3.49 4.76 0.70 -4.95 118.16 120.07 2nut n LYS 977 Ca 0.03 -0.09 -0.11 0.00 -2.87 0.00 0.00 58.31 55.27 2nut n LYS 977 Cb 0.26 -1.54 0.09 0.00 -1.84 0.00 0.00 35.03 32.00 2nut n LYS 977 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2nut n LEU 978 N -2.02 0.00 -3.64 -0.35 4.77 -0.97 -5.08 117.00 109.71 2nut n LEU 978 Ca -0.01 -0.46 -0.03 0.00 -0.03 0.00 0.00 56.01 55.49 2nut n LEU 978 Cb 0.48 -0.38 -0.07 0.00 -2.33 0.00 0.00 43.42 41.12 2nut n LEU 978 CO 0.44 -1.31 0.80 -0.55 -1.33 0.00 0.00 177.39 175.44 2nut s SER 979 N -2.67 -0.36 0.00 -1.43 0.15 -1.26 -5.01 113.70 103.12 2nut s SER 979 Ca 0.27 0.61 0.20 0.00 0.70 0.00 0.00 55.95 57.72 2nut s SER 979 Cb -0.02 1.01 1.04 0.00 -1.71 0.00 0.00 66.02 66.33 2nut s SER 979 CO 0.20 -0.10 1.61 0.54 1.20 0.00 0.00 173.24 176.69 2nut n ARG 980 N 3.12 0.36 0.00 5.44 1.74 -1.26 -2.62 116.66 123.44 2nut n ARG 980 Ca -0.16 0.08 0.12 0.00 -0.77 0.00 0.00 57.85 57.12 2nut n ARG 980 Cb 0.57 -1.50 0.22 0.00 -1.02 0.00 0.00 32.46 30.73 2nut n ARG 980 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 2nut n ASP 981 N -1.22 1.71 -0.85 0.55 8.00 -1.26 -0.40 116.55 123.08 2nut n ASP 981 Ca 0.11 -1.34 0.00 0.00 0.71 0.00 0.00 54.79 54.26 2nut n ASP 981 Cb 0.14 0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.46 2nut n ASP 981 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nut n GLY 982 N 1.35 4.39 3.18 0.44 0.00 -1.08 -3.94 105.19 109.54 2nut n GLY 982 Ca 0.12 -1.67 -0.24 0.00 0.00 0.00 0.00 46.02 44.23 2nut n GLY 982 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nut s ALA 983 N -2.00 1.48 -0.04 4.61 0.00 -1.26 -0.73 121.76 123.82 2nut s ALA 983 Ca 0.00 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.15 2nut s ALA 983 Cb 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.79 2nut s ALA 983 CO 0.00 0.34 -0.14 -0.06 0.00 0.00 0.00 175.76 175.91 2nut s PHE 984 N -0.59 1.39 -0.16 0.00 0.08 0.14 -1.15 117.98 117.69 2nut s PHE 984 Ca 0.06 -0.39 -0.06 0.00 0.12 0.00 0.00 56.93 56.66 2nut s PHE 984 Cb -0.07 -0.96 -0.04 0.00 -0.57 0.00 0.00 43.02 41.38 2nut s PHE 984 CO 0.00 -0.15 0.05 -1.17 -0.10 0.00 0.00 175.22 173.86 2nut s LEU 985 N 0.14 3.79 -0.18 -0.37 2.96 0.37 0.42 118.68 125.81 2nut s LEU 985 Ca -0.04 0.11 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 2nut s LEU 985 Cb -0.11 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.66 2nut s LEU 985 CO 0.02 0.23 -0.16 -0.32 -1.32 0.00 0.00 176.35 174.79 2nut s MET 986 N 0.03 3.11 -0.48 1.98 -2.45 0.13 -0.77 119.30 120.86 2nut s MET 986 Ca 0.05 -0.78 -0.16 0.00 -1.25 0.00 0.00 55.69 53.56 2nut s MET 986 Cb -0.12 -2.65 0.08 0.00 1.25 0.00 0.00 34.83 33.39 2nut s MET 986 CO 0.01 -0.14 0.41 0.34 1.05 0.00 0.00 175.02 176.69 2nut s ASP 987 N 1.18 6.15 -0.19 1.11 2.15 0.91 -1.29 116.67 126.69 2nut s ASP 987 Ca 0.02 -1.34 0.15 0.00 0.43 0.00 0.00 52.55 51.82 2nut s ASP 987 Cb -0.14 -2.19 0.78 0.00 -0.30 0.00 0.00 42.92 41.07 2nut s ASP 987 CO -0.07 -0.67 1.70 0.00 -0.17 0.00 0.00 175.17 175.96 2nut n ALA 988 N 5.25 3.61 0.00 3.66 0.00 -0.12 -1.82 120.51 131.08 2nut n ALA 988 Ca -0.12 -1.78 0.00 0.00 0.00 0.00 0.00 53.44 51.54 2nut n ALA 988 Cb 0.44 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.79 2nut n ALA 988 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nut n GLY 989 N 0.81 1.53 0.09 0.00 0.00 -1.26 -3.76 105.19 102.59 2nut n GLY 989 Ca 0.27 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.33 2nut n GLY 989 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2nut n SER 990 N 3.51 0.68 -3.91 1.61 3.41 -1.26 -4.74 113.62 112.92 2nut n SER 990 Ca 0.00 0.28 -0.08 0.00 -0.26 0.00 0.00 58.87 58.80 2nut n SER 990 Cb 0.00 0.61 -0.08 0.00 -0.26 0.00 0.00 64.21 64.48 2nut n SER 990 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2nut s VAL 991 N -3.19 0.16 -0.25 -3.33 0.11 -1.26 -3.74 120.40 108.90 2nut s VAL 991 Ca -0.03 -1.31 0.00 0.00 -2.93 0.00 0.00 61.98 57.71 2nut s VAL 991 Cb 0.10 -1.37 0.07 0.00 -1.53 0.00 0.00 36.38 33.65 2nut s VAL 991 CO 0.82 -0.72 -0.00 -0.76 -3.33 0.00 0.00 175.10 171.10 2nut s LEU 992 N -2.86 2.49 -0.17 2.54 1.43 -0.08 -0.94 118.68 121.09 2nut s LEU 992 Ca 0.05 -1.29 -0.10 0.00 -1.03 0.00 0.00 54.13 51.76 2nut s LEU 992 Cb 0.05 -1.07 -0.05 0.00 0.03 0.00 0.00 46.19 45.16 2nut s LEU 992 CO -0.11 -0.29 0.16 -0.04 0.23 0.00 0.00 176.35 176.30 2nut s MET 993 N 1.46 3.96 -0.39 1.70 -1.94 -0.41 -2.34 119.30 121.34 2nut s MET 993 Ca -0.01 -0.14 -0.02 0.00 -1.71 0.00 0.00 55.69 53.81 2nut s MET 993 Cb -0.18 -3.34 0.10 0.00 2.01 0.00 0.00 34.83 33.41 2nut s MET 993 CO -0.10 0.45 0.16 -1.17 -0.01 0.00 0.00 175.02 174.35 2nut s LEU 994 N -0.10 5.00 0.12 -0.03 2.96 -1.12 0.22 118.68 125.72 2nut s LEU 994 Ca 0.11 -1.91 -0.28 0.00 -0.22 0.00 0.00 54.13 51.84 2nut s LEU 994 Cb -0.12 -1.80 -0.06 0.00 0.50 0.00 0.00 46.19 44.71 2nut s LEU 994 CO 0.01 -0.48 0.87 0.86 -1.32 0.00 0.00 176.35 176.28 2nut s TRP 995 N 1.14 3.83 -0.13 5.38 -0.00 0.17 -4.28 118.94 125.04 2nut s TRP 995 Ca 0.06 1.69 0.02 0.00 -0.00 0.00 0.00 56.10 57.87 2nut s TRP 995 Cb -0.22 -2.92 0.00 0.00 -0.00 0.00 0.00 33.47 30.33 2nut s TRP 995 CO -0.04 0.31 -0.21 0.08 -0.00 0.00 0.00 176.95 177.10 2nut s VAL 996 N -0.37 2.24 0.52 5.86 1.01 -1.02 0.27 120.40 128.90 2nut s VAL 996 Ca 0.42 -0.93 -0.20 0.00 0.00 0.00 0.00 61.98 61.26 2nut s VAL 996 Cb -0.23 -1.90 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 2nut s VAL 996 CO 0.27 0.54 1.13 -0.83 0.00 0.00 0.00 175.10 176.22 2nut s GLY 997 N 0.67 2.67 0.30 4.51 0.00 0.09 -4.34 107.32 111.21 2nut s GLY 997 Ca -0.10 0.84 -0.01 0.00 0.00 0.00 0.00 44.72 45.44 2nut s GLY 997 CO 0.02 1.22 1.96 1.70 0.00 0.00 0.00 173.10 177.99 2nut h LYS 998 N 1.46 1.06 -0.99 2.90 3.64 -1.88 -2.40 116.57 120.36 2nut h LYS 998 Ca -0.50 -0.06 -0.67 0.00 -1.27 0.00 0.00 60.65 58.14 2nut h LYS 998 Cb 1.25 -0.24 -0.30 0.00 -0.41 0.00 0.00 32.23 32.54 2nut h LYS 998 CO 0.58 0.70 0.80 -1.71 -2.27 0.00 0.00 179.45 177.55 2nut n ASN 999 N -4.42 7.59 -4.78 4.20 5.15 0.46 -4.89 115.26 118.57 2nut n ASN 999 Ca 0.10 -3.79 -0.32 0.00 -0.60 0.00 0.00 54.58 49.97 2nut n ASN 999 Cb 0.06 -0.95 0.06 0.00 -0.53 0.00 0.00 39.78 38.42 2nut n ASN 999 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2nut s THR 1001N -2.66 2.90 0.37 0.00 -4.23 -1.25 -4.94 115.64 105.82 2nut s THR 1001Ca 0.63 0.57 0.11 0.00 -1.18 0.00 0.00 61.69 61.83 2nut s THR 1001Cb -0.18 -3.24 0.10 0.00 1.34 0.00 0.00 72.50 70.52 2nut s THR 1001CO 0.49 -0.11 1.84 1.56 -0.54 0.00 0.00 174.62 177.86 2nut h GLN 1002N 1.17 0.08 -0.51 3.99 1.08 -1.97 -2.63 115.11 116.31 2nut h GLN 1002Ca -0.50 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 56.64 2nut h GLN 1002Cb 1.28 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.68 2nut h GLN 1002CO 0.56 0.39 0.20 -0.97 -0.95 0.00 0.00 178.83 178.06 2nut h ASN 1003N 0.07 0.71 -0.50 1.46 -1.24 -1.98 -1.95 115.58 112.15 2nut h ASN 1003Ca 0.01 -0.17 -0.11 0.00 0.71 0.00 0.00 56.30 56.74 2nut h ASN 1003Cb 0.60 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.45 2nut h ASN 1003CO 0.04 0.69 -0.10 0.15 -1.29 0.00 0.00 177.43 176.92 2nut h PHE 1004N 0.68 1.09 -0.03 0.67 3.57 -1.84 0.17 116.94 121.26 2nut h PHE 1004Ca 0.17 -0.22 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 2nut h PHE 1004Cb 0.20 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 2nut h PHE 1004CO 0.01 1.02 0.01 -0.07 -2.23 0.00 0.00 178.31 177.05 2nut h LEU 1005N 0.88 0.04 0.14 0.59 3.38 -1.28 -1.02 115.31 118.04 2nut h LEU 1005Ca 0.14 -0.15 -0.25 0.00 0.09 0.00 0.00 57.88 57.71 2nut h LEU 1005Cb 0.65 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.40 2nut h LEU 1005CO 0.05 0.18 -1.17 0.77 0.09 0.00 0.00 178.44 178.35 2nut h SER 1006N -0.11 0.47 1.28 -0.43 4.64 -0.60 0.52 113.55 119.31 2nut h SER 1006Ca 0.01 -0.90 -0.11 0.00 -0.47 0.00 0.00 61.79 60.31 2nut h SER 1006Cb 0.15 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2nut h SER 1006CO -0.00 1.54 -0.54 1.56 -0.87 0.00 0.00 176.83 178.52 2nut h GLN 1007N -0.28 0.00 0.00 4.77 1.08 -0.78 -3.05 115.11 116.85 2nut h GLN 1007Ca -0.23 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 56.80 2nut h GLN 1007Cb 1.76 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 29.16 2nut h GLN 1007CO 0.12 0.54 -1.59 0.28 -0.95 0.00 0.00 178.83 177.23 2nut n VAL 1008N -3.31 0.58 0.11 -0.54 0.31 -0.59 -3.91 118.33 110.98 2nut n VAL 1008Ca 0.01 -0.17 0.03 0.00 -0.01 0.00 0.00 64.34 64.20 2nut n VAL 1008Cb 0.71 -1.44 -0.01 0.00 -0.91 0.00 0.00 33.84 32.19 2nut n VAL 1008CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2nut h LEU 1009N -0.29 0.00 -0.97 7.52 3.38 -0.88 -3.41 115.31 120.67 2nut h LEU 1009Ca -0.26 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 2nut h LEU 1009Cb 1.26 0.00 0.04 0.00 0.09 0.00 0.00 40.66 42.05 2nut h LEU 1009CO -0.13 0.46 -0.17 0.61 0.09 0.00 0.00 178.44 179.30 2nut n GLY 1010N 1.27 0.58 3.19 0.83 0.00 0.15 -4.73 105.19 106.48 2nut n GLY 1010Ca -0.02 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 2nut n GLY 1010CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nut s VAL 1011N -3.08 0.92 -0.84 1.61 1.01 0.65 -4.94 120.40 115.73 2nut s VAL 1011Ca 0.15 -1.85 0.23 0.00 0.00 0.00 0.00 61.98 60.51 2nut s VAL 1011Cb -0.06 -1.59 -0.13 0.00 0.00 0.00 0.00 36.38 34.60 2nut s VAL 1011CO 0.18 -0.71 1.08 0.00 0.00 0.00 0.00 175.10 175.64 2nut n GLN 1012N 0.16 0.11 -3.54 2.72 1.13 -1.26 -1.86 117.38 114.84 2nut n GLN 1012Ca -0.13 -0.01 -0.09 0.00 -1.94 0.00 0.00 57.00 54.83 2nut n GLN 1012Cb 0.59 -1.53 -0.03 0.00 0.11 0.00 0.00 30.24 29.38 2nut n GLN 1012CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2nut s ASN 1013N -3.35 -0.34 0.23 1.08 2.20 -1.26 -4.93 114.94 108.56 2nut s ASN 1013Ca 0.07 0.17 -0.13 0.00 -0.94 0.00 0.00 52.86 52.03 2nut s ASN 1013Cb 0.16 0.33 0.28 0.00 -2.00 0.00 0.00 41.25 40.02 2nut s ASN 1013CO 0.80 -0.46 1.60 0.22 -2.94 0.00 0.00 177.10 176.32 2nut h TYR 1014N 2.24 -0.48 -1.10 1.54 3.20 -1.94 -1.01 116.97 119.42 2nut h TYR 1014Ca -0.19 0.07 0.30 0.00 3.14 0.00 0.00 58.73 62.05 2nut h TYR 1014Cb 1.20 0.32 -0.09 0.00 1.54 0.00 0.00 36.73 39.70 2nut h TYR 1014CO 0.27 -0.33 0.73 0.00 -1.64 0.00 0.00 178.16 177.19 2nut h ALA 1015N 1.64 2.46 -0.79 1.82 0.00 -1.96 -1.83 119.26 120.60 2nut h ALA 1015Ca 0.34 0.05 -0.39 0.00 0.00 0.00 0.00 54.91 54.91 2nut h ALA 1015Cb 0.55 0.06 -0.23 0.00 0.00 0.00 0.00 17.79 18.17 2nut h ALA 1015CO -0.76 -0.88 0.50 -1.13 0.00 0.00 0.00 179.25 176.97 2nut n SER 1016N -4.55 3.73 -4.50 0.00 3.41 -0.38 -4.86 113.62 106.47 2nut n SER 1016Ca 0.27 -3.28 -0.43 0.00 -0.26 0.00 0.00 58.87 55.17 2nut n SER 1016Cb 1.02 -0.77 -0.06 0.00 -0.26 0.00 0.00 64.21 64.14 2nut n SER 1016CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2nut s ILE 1017N -2.70 4.71 0.14 -1.33 1.01 -0.69 -4.88 121.20 117.46 2nut s ILE 1017Ca 0.47 0.02 -0.27 0.00 0.00 0.00 0.00 60.65 60.87 2nut s ILE 1017Cb 0.39 -4.33 -0.16 0.00 0.01 0.00 0.00 42.46 38.37 2nut s ILE 1017CO 0.09 -0.80 0.57 -0.81 0.00 0.00 0.00 174.94 173.99 2nut n PRO 1018N 6.59 0.00 0.00 2.79 -0.04 -1.26 -4.93 135.00 138.15 2nut n PRO 1018Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 2nut n PRO 1018Cb 0.47 -0.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.95 2nut n PRO 1018CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2nut n GLN 1019N 0.98 0.00 -2.20 0.54 7.27 -1.26 -3.96 117.38 118.75 2nut n GLN 1019Ca 0.16 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.80 2nut n GLN 1019Cb 0.19 -0.26 -0.02 0.00 2.41 0.00 0.00 30.24 32.55 2nut n GLN 1019CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 2nut s PRO 1020N 0.00 3.82 -0.52 3.69 0.02 -1.26 -4.31 135.00 136.44 2nut s PRO 1020Ca 0.00 1.54 -0.06 0.00 0.02 0.00 0.00 61.00 62.50 2nut s PRO 1020Cb 0.00 -4.00 0.13 0.00 0.02 0.00 0.00 34.50 30.66 2nut s PRO 1020CO 0.00 -1.26 0.36 1.41 -0.33 0.00 0.00 177.00 177.18 2nut s MET 1021N 4.56 2.43 0.04 5.54 1.75 -1.25 -4.96 119.30 127.40 2nut s MET 1021Ca 0.67 -2.03 0.05 0.00 -1.25 0.00 0.00 55.69 53.12 2nut s MET 1021Cb -0.22 -3.80 0.22 0.00 2.84 0.00 0.00 34.83 33.87 2nut s MET 1021CO 0.28 -1.16 1.14 -2.37 -0.65 0.00 0.00 175.02 172.26 2nut n THR 1022N 4.37 1.75 0.00 10.11 5.66 -1.26 -2.58 114.28 132.33 2nut n THR 1022Ca -0.00 0.49 0.00 0.00 -3.05 0.00 0.00 64.05 61.49 2nut n THR 1022Cb 0.41 -1.46 0.00 0.00 -1.55 0.00 0.00 70.33 67.72 2nut n THR 1022CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2nut n ASP 1023N -1.60 0.00 -4.85 1.09 -0.08 -1.23 -4.36 116.55 105.51 2nut n ASP 1023Ca 0.00 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.97 2nut n ASP 1023Cb 0.03 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.45 2nut n ASP 1023CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2nut s LEU 1024N 0.00 3.80 0.54 -2.67 1.43 -1.26 -4.93 118.68 115.58 2nut s LEU 1024Ca 0.00 1.40 -0.04 0.00 -1.03 0.00 0.00 54.13 54.46 2nut s LEU 1024Cb 0.00 -4.29 0.00 0.00 0.03 0.00 0.00 46.19 41.93 2nut s LEU 1024CO 0.00 -0.44 0.82 -2.16 0.23 0.00 0.00 176.35 174.80 2nut s PRO 1025N -3.72 3.02 -0.60 1.29 0.04 -1.26 -5.03 135.00 128.73 2nut s PRO 1025Ca 0.56 -0.13 -0.09 0.00 0.04 0.00 0.00 61.00 61.38 2nut s PRO 1025Cb -0.10 -2.37 0.16 0.00 0.04 0.00 0.00 34.50 32.23 2nut s PRO 1025CO 0.27 -0.53 0.48 -1.21 0.04 0.00 0.00 177.00 176.05 2nut s GLU 1026N -4.84 2.79 0.40 4.56 2.02 -1.26 -4.98 118.70 117.39 2nut s GLU 1026Ca 0.52 -2.16 -0.05 0.00 0.02 0.00 0.00 54.97 53.30 2nut s GLU 1026Cb -0.10 -4.00 -0.04 0.00 0.10 0.00 0.00 34.13 30.08 2nut s GLU 1026CO 0.43 -1.22 0.68 -0.51 0.02 0.00 0.00 175.26 174.67 2nut s LEU 1027N 0.66 3.83 -1.38 1.80 1.43 -1.26 -4.99 118.68 118.77 2nut s LEU 1027Ca 0.12 0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 53.93 2nut s LEU 1027Cb -0.21 -3.71 0.09 0.00 0.03 0.00 0.00 46.19 42.39 2nut s LEU 1027CO -0.03 -0.41 2.17 -0.67 0.23 0.00 0.00 176.35 177.63 2nut n ASP 1028N -1.73 5.36 -4.00 2.29 -0.08 -1.26 -4.62 116.55 112.51 2nut n ASP 1028Ca -0.01 -2.97 -0.09 0.00 -1.51 0.00 0.00 54.79 50.22 2nut n ASP 1028Cb 0.55 -1.54 -0.11 0.00 2.34 0.00 0.00 41.12 42.37 2nut n ASP 1028CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2nut s THR 1029N 1.38 0.13 0.30 5.18 -4.23 -1.26 -5.03 115.64 112.10 2nut s THR 1029Ca 0.47 -1.09 0.21 0.00 -1.18 0.00 0.00 61.69 60.09 2nut s THR 1029Cb 0.13 -0.55 0.19 0.00 1.34 0.00 0.00 72.50 73.61 2nut s THR 1029CO -0.05 -0.60 1.88 1.55 -0.54 0.00 0.00 174.62 176.87 2nut h PRO 1030N 4.29 0.00 -0.40 3.99 0.13 -1.92 -2.72 132.00 135.37 2nut h PRO 1030Ca -0.32 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.66 2nut h PRO 1030Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2nut h PRO 1030CO 0.46 0.27 -0.31 0.93 -0.23 0.00 0.00 178.00 179.13 2nut h GLU 1031N 0.00 0.91 -0.33 0.86 3.07 -1.95 -2.44 114.58 114.70 2nut h GLU 1031Ca -0.00 -0.45 -0.04 0.00 -0.50 0.00 0.00 59.36 58.37 2nut h GLU 1031Cb 0.63 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 2nut h GLU 1031CO 0.04 1.10 0.05 1.03 -1.40 0.00 0.00 179.01 179.83 2nut h SER 1032N 0.73 0.54 -0.87 1.42 0.87 -1.63 -2.72 113.55 111.90 2nut h SER 1032Ca 0.08 -0.27 0.07 0.00 -1.23 0.00 0.00 61.79 60.44 2nut h SER 1032Cb 0.89 -0.14 -0.07 0.00 -0.44 0.00 0.00 62.40 62.64 2nut h SER 1032CO 0.08 0.67 0.53 0.00 -0.53 0.00 0.00 176.83 177.58 2nut h ALA 1033N 0.89 1.21 0.27 6.23 0.00 -1.45 -0.35 119.26 126.06 2nut h ALA 1033Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2nut h ALA 1033Cb 0.36 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2nut h ALA 1033CO 0.01 0.25 -0.13 0.00 0.00 0.00 0.00 179.25 179.38 2nut h ARG 1034N 0.95 -0.34 -0.57 0.00 3.08 -1.27 -0.19 114.38 116.03 2nut h ARG 1034Ca 0.39 0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.38 2nut h ARG 1034Cb 0.22 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2nut h ARG 1034CO -0.19 -0.11 0.03 0.97 -1.07 0.00 0.00 179.97 179.60 2nut h ILE 1035N -0.53 1.26 0.00 2.04 2.10 -1.32 -0.70 117.51 120.35 2nut h ILE 1035Ca -0.04 -1.06 -0.08 0.00 1.08 0.00 0.00 64.86 64.77 2nut h ILE 1035Cb 0.39 0.78 -0.01 0.00 -1.09 0.00 0.00 36.82 36.89 2nut h ILE 1035CO 0.06 0.38 -0.38 0.40 -1.08 0.00 0.00 178.15 177.53 2nut h ILE 1036N 0.89 1.03 -0.12 2.19 1.08 -1.06 -1.05 117.51 120.48 2nut h ILE 1036Ca 0.17 -1.44 -0.18 0.00 -0.39 0.00 0.00 64.86 63.03 2nut h ILE 1036Cb 0.48 1.83 0.01 0.00 -3.07 0.00 0.00 36.82 36.07 2nut h ILE 1036CO 0.02 0.38 -0.61 0.00 -0.69 0.00 0.00 178.15 177.24 2nut h ALA 1037N 1.62 0.23 0.50 1.87 0.00 -0.50 -1.44 119.26 121.54 2nut h ALA 1037Ca -0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 2nut h ALA 1037Cb 0.80 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2nut h ALA 1037CO 0.05 0.49 -0.32 0.35 0.00 0.00 0.00 179.25 179.82 2nut h PHE 1038N 0.27 -0.84 -0.78 0.00 3.57 -0.82 -1.40 116.94 116.93 2nut h PHE 1038Ca -0.04 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.50 2nut h PHE 1038Cb 1.25 0.30 -0.06 0.00 2.79 0.00 0.00 35.95 40.24 2nut h PHE 1038CO 0.11 -0.48 0.48 0.82 -2.23 0.00 0.00 178.31 177.00 2nut h ILE 1039N -0.78 1.03 -0.80 1.41 2.04 -1.27 -1.47 117.51 117.66 2nut h ILE 1039Ca -0.06 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.53 2nut h ILE 1039Cb 0.64 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 2nut h ILE 1039CO 0.05 0.16 0.53 0.28 0.00 0.00 0.00 178.15 179.17 2nut h SER 1040N 0.88 0.87 -0.44 1.72 0.02 -1.03 -1.74 113.55 113.82 2nut h SER 1040Ca 0.34 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.18 2nut h SER 1040Cb 0.15 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2nut h SER 1040CO -0.16 0.60 -0.11 -0.25 -1.14 0.00 0.00 176.83 175.76 2nut h TRP 1041N 1.01 0.96 -0.37 3.45 7.01 -0.27 -2.26 115.95 125.48 2nut h TRP 1041Ca 0.32 -0.21 0.01 0.00 2.11 0.00 0.00 58.89 61.11 2nut h TRP 1041Cb 0.01 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 26.82 2nut h TRP 1041CO -0.00 0.96 0.24 -0.07 -2.79 0.00 0.00 178.44 176.78 2nut h LEU 1042N 0.69 0.40 0.00 0.65 3.38 -0.65 -2.64 115.31 117.14 2nut h LEU 1042Ca 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2nut h LEU 1042Cb 0.66 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2nut h LEU 1042CO 0.05 0.29 0.00 -2.11 0.09 0.00 0.00 178.44 176.76 2nut n ARG 1043N -4.85 0.17 0.00 1.13 1.85 -0.72 -2.71 116.66 111.53 2nut n ARG 1043Ca 0.00 0.03 0.12 0.00 -1.00 0.00 0.00 57.85 57.01 2nut n ARG 1043Cb 0.03 -1.50 0.33 0.00 -1.05 0.00 0.00 32.46 30.28 2nut n ARG 1043CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2nut n GLU 1044N -1.41 0.07 0.00 2.89 1.02 -0.86 -3.44 120.64 118.91 2nut n GLU 1044Ca 0.09 -0.04 0.15 0.00 -0.02 0.00 0.00 57.16 57.35 2nut n GLU 1044Cb 0.28 -1.50 0.75 0.00 -0.02 0.00 0.00 31.44 30.95 2nut n GLU 1044CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2nut n GLN 1045N -1.43 0.93 -4.12 3.49 1.13 -1.10 -4.89 117.38 111.38 2nut n GLN 1045Ca 0.06 -0.23 -0.11 0.00 -1.94 0.00 0.00 57.00 54.79 2nut n GLN 1045Cb 0.33 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 29.11 2nut n GLN 1045CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 2nut s ARG 1046N -2.23 1.38 -0.10 -1.09 1.70 -1.22 -5.08 118.95 112.31 2nut s ARG 1046Ca 0.38 -1.51 0.18 0.00 -0.47 0.00 0.00 55.73 54.31 2nut s ARG 1046Cb 0.21 0.35 -0.24 0.00 -0.57 0.00 0.00 34.95 34.70 2nut s ARG 1046CO 0.41 -0.51 0.37 -0.35 -1.08 0.00 0.00 175.30 174.14 2nut n PRO 1047N -0.34 0.66 -2.80 3.89 -0.04 -1.26 -4.77 135.00 130.34 2nut n PRO 1047Ca 0.01 0.04 -0.43 0.00 -0.04 0.00 0.00 63.50 63.08 2nut n PRO 1047Cb 0.64 -1.61 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 2nut n PRO 1047CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2nut s PHE 1048N -2.78 2.94 -0.62 0.54 2.99 -1.26 -4.92 117.98 114.87 2nut s PHE 1048Ca -0.08 -1.25 -0.40 0.00 0.00 0.00 0.00 56.93 55.20 2nut s PHE 1048Cb 0.08 -4.43 -0.19 0.00 0.00 0.00 0.00 43.02 38.48 2nut s PHE 1048CO 0.84 -1.64 2.29 0.34 -0.00 0.00 0.00 175.22 177.05 2nut n PHE 1049N 7.29 1.04 -2.78 0.36 7.35 -1.26 -4.86 117.46 124.60 2nut n PHE 1049Ca 0.28 0.64 -0.42 0.00 -0.76 0.00 0.00 57.45 57.19 2nut n PHE 1049Cb 0.49 -2.33 -0.03 0.00 0.35 0.00 0.00 39.48 37.96 2nut n PHE 1049CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2nut s PRO 1050N 6.80 4.46 0.50 -7.13 0.04 -1.26 -4.89 135.00 133.52 2nut s PRO 1050Ca 1.23 1.28 -0.20 0.00 0.04 0.00 0.00 61.00 63.35 2nut s PRO 1050Cb -1.39 -3.50 -0.08 0.00 0.04 0.00 0.00 34.50 29.58 2nut s PRO 1050CO 0.60 -0.15 1.07 0.42 0.04 0.00 0.00 177.00 178.98 2nut s ILE 1051N 1.45 3.55 0.01 0.56 1.09 -1.25 -4.73 121.20 121.88 2nut s ILE 1051Ca 0.47 0.98 0.08 0.00 -1.10 0.00 0.00 60.65 61.09 2nut s ILE 1051Cb -0.19 -3.41 -0.02 0.00 -1.06 0.00 0.00 42.46 37.78 2nut s ILE 1051CO 0.21 -0.19 -0.26 -0.22 -0.10 0.00 0.00 174.94 174.39 2nut s LEU 1052N -3.53 2.11 -0.15 2.97 2.96 -1.26 -0.90 118.68 120.88 2nut s LEU 1052Ca 0.69 -0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 54.02 2nut s LEU 1052Cb -0.20 -1.28 0.07 0.00 0.50 0.00 0.00 46.19 45.28 2nut s LEU 1052CO 0.23 0.28 0.31 -0.72 -1.32 0.00 0.00 176.35 175.13 2nut s TYR 1053N -0.70 -0.53 -0.97 5.38 -0.85 -0.99 -3.54 117.35 115.14 2nut s TYR 1053Ca 0.11 1.14 0.28 0.00 -0.52 0.00 0.00 57.07 58.08 2nut s TYR 1053Cb -0.10 0.07 1.18 0.00 0.38 0.00 0.00 41.96 43.48 2nut s TYR 1053CO 0.01 -0.39 1.90 0.28 -1.52 0.00 0.00 175.55 175.83 2nut n VAL 1054N 5.35 0.09 -0.03 -3.49 0.31 -1.07 -2.80 118.33 116.69 2nut n VAL 1054Ca -0.07 -0.03 0.14 0.00 -0.01 0.00 0.00 64.34 64.37 2nut n VAL 1054Cb 0.50 -0.52 0.22 0.00 -0.91 0.00 0.00 33.84 33.12 2nut n VAL 1054CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2nut n ILE 1055N -1.59 0.00 -1.84 2.52 5.41 -1.26 -3.68 119.36 118.93 2nut n ILE 1055Ca 0.07 0.86 -0.21 0.00 1.00 0.00 0.00 62.75 64.47 2nut n ILE 1055Cb 0.35 -1.59 -0.07 0.00 -0.71 0.00 0.00 39.64 37.61 2nut n ILE 1055CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2nut s ARG 1056N -3.61 1.98 0.00 0.38 1.81 -1.26 -4.60 118.95 113.66 2nut s ARG 1056Ca -0.01 -0.38 0.00 0.00 -1.72 0.00 0.00 55.73 53.61 2nut s ARG 1056Cb 0.07 -5.03 0.00 0.00 -0.45 0.00 0.00 34.95 29.54 2nut s ARG 1056CO 0.24 -4.31 0.00 -0.25 -0.68 0.00 0.00 175.30 170.29 2nut n ASP 1057N 16.57 0.00 -1.72 0.23 8.00 -1.24 -2.44 116.55 135.95 2nut n ASP 1057Ca 0.43 -0.54 -0.01 0.00 0.71 0.00 0.00 54.79 55.38 2nut n ASP 1057Cb 0.46 0.00 0.31 0.00 -0.02 0.00 0.00 41.12 41.86 2nut n ASP 1057CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2nut n GLU 1058N -0.54 3.61 -1.07 -1.24 2.13 -1.26 -4.41 120.64 117.86 2nut n GLU 1058Ca 0.00 -3.07 -0.02 0.00 0.66 0.00 0.00 57.16 54.73 2nut n GLU 1058Cb 0.00 -2.13 -0.00 0.00 0.27 0.00 0.00 31.44 29.58 2nut n GLU 1058CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2nut n SER 1059N -0.19 -0.37 -0.33 4.31 3.41 -1.26 -4.98 113.62 114.21 2nut n SER 1059Ca 0.35 -0.90 0.13 0.00 -0.26 0.00 0.00 58.87 58.19 2nut n SER 1059Cb 1.25 0.14 0.36 0.00 -0.26 0.00 0.00 64.21 65.70 2nut n SER 1059CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2nut n PRO 1060N -0.17 1.07 -3.59 4.33 -0.04 -1.26 -4.92 135.00 130.42 2nut n PRO 1060Ca -0.08 -0.67 -0.23 0.00 -0.04 0.00 0.00 63.50 62.48 2nut n PRO 1060Cb 0.47 -1.49 0.08 0.00 -0.04 0.00 0.00 33.50 32.52 2nut n PRO 1060CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2nut n MET 1061N -0.38 -7.35 -0.25 0.54 2.81 -1.26 -4.79 117.12 106.44 2nut n MET 1061Ca 0.13 0.81 0.00 0.00 -1.81 0.00 0.00 57.70 56.83 2nut n MET 1061Cb 0.37 -5.82 0.00 0.00 -0.71 0.00 0.00 33.22 27.05 2nut n MET 1061CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2nut n LYS 1062N -4.75 0.00 -0.37 0.03 5.02 -1.26 -4.93 118.16 111.90 2nut n LYS 1062Ca -0.07 -0.32 -0.01 0.00 -2.02 0.00 0.00 58.31 55.89 2nut n LYS 1062Cb 0.59 -0.21 -0.01 0.00 -0.02 0.00 0.00 35.03 35.37 2nut n LYS 1062CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2nut n ALA 1063N 0.00 3.33 1.10 7.82 0.00 -1.26 -4.13 120.51 127.38 2nut n ALA 1063Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2nut n ALA 1063Cb 0.54 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.54 2nut n ALA 1063CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2nut n ASN 1064N 1.79 0.03 -0.08 0.00 0.23 -1.26 -1.71 115.26 114.25 2nut n ASN 1064Ca 0.03 -1.13 -0.05 0.00 -0.53 0.00 0.00 54.58 52.90 2nut n ASN 1064Cb 0.37 -0.01 0.15 0.00 -2.08 0.00 0.00 39.78 38.20 2nut n ASN 1064CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 2nut h PHE 1065N 0.02 0.80 -0.28 -2.53 3.57 -2.01 -2.95 116.94 113.57 2nut h PHE 1065Ca 0.00 -0.14 -0.11 0.00 3.53 0.00 0.00 57.97 61.25 2nut h PHE 1065Cb 0.01 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 2nut h PHE 1065CO 0.00 0.80 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.51 2nut h LEU 1066N 0.67 0.59 -1.96 0.59 3.38 -1.71 -2.76 115.31 114.11 2nut h LEU 1066Ca 0.12 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2nut h LEU 1066Cb 0.55 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2nut h LEU 1066CO 0.03 0.86 0.24 1.56 0.09 0.00 0.00 178.44 181.22 2nut h GLN 1067N 0.49 0.00 -0.00 1.13 4.20 -1.72 0.29 115.11 119.50 2nut h GLN 1067Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2nut h GLN 1067Cb 0.77 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.55 2nut h GLN 1067CO 0.06 0.00 -0.38 0.09 -0.67 0.00 0.00 178.83 177.93 2nut n ASN 1068N -2.74 0.66 -3.49 1.46 3.02 -1.04 -4.45 115.26 108.67 2nut n ASN 1068Ca -0.02 -0.45 -0.38 0.00 -0.03 0.00 0.00 54.58 53.70 2nut n ASN 1068Cb 0.28 0.17 -0.02 0.00 -0.61 0.00 0.00 39.78 39.60 2nut n ASN 1068CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2nut n MET 1069N -1.19 2.64 0.05 3.52 2.81 0.10 -4.71 117.12 120.34 2nut n MET 1069Ca 0.08 -2.12 0.03 0.00 -1.81 0.00 0.00 57.70 53.89 2nut n MET 1069Cb 0.34 -2.93 0.18 0.00 -0.71 0.00 0.00 33.22 30.10 2nut n MET 1069CO 0.00 0.00 0.00 0.44 1.51 0.00 0.00 175.97 177.92 2nut n ILE 1070N 4.73 1.60 0.09 2.02 -6.64 -1.21 -2.08 119.36 117.87 2nut n ILE 1070Ca 0.57 0.58 0.03 0.00 -1.77 0.00 0.00 62.75 62.16 2nut n ILE 1070Cb 0.30 -1.58 -0.02 0.00 -1.44 0.00 0.00 39.64 36.90 2nut n ILE 1070CO 0.00 0.00 0.00 -0.33 -1.77 0.00 0.00 176.55 174.45 2nut h GLU 1071N 0.00 0.00 -7.43 6.28 5.08 -1.70 -3.40 114.58 113.40 2nut h GLU 1071Ca 0.00 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.88 2nut h GLU 1071Cb 0.06 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.39 2nut h GLU 1071CO 0.00 0.31 0.36 -0.51 -1.00 0.00 0.00 179.01 178.17 2nut s ASP 1072N -5.97 5.25 0.31 1.42 1.01 -0.88 -0.10 116.67 117.70 2nut s ASP 1072Ca 0.00 0.95 -0.02 0.00 0.71 0.00 0.00 52.55 54.19 2nut s ASP 1072Cb 0.08 -1.71 -0.04 0.00 1.01 0.00 0.00 42.92 42.26 2nut s ASP 1072CO 0.78 -1.42 0.54 0.00 0.21 0.00 0.00 175.17 175.28 2nut s ARG 1073N -5.33 3.55 0.26 8.23 1.70 -1.26 -4.25 118.95 121.85 2nut s ARG 1073Ca 0.58 -0.17 0.01 0.00 -0.47 0.00 0.00 55.73 55.68 2nut s ARG 1073Cb -0.11 -2.67 -0.05 0.00 -0.57 0.00 0.00 34.95 31.55 2nut s ARG 1073CO 0.50 0.20 0.10 -0.08 -1.08 0.00 0.00 175.30 174.93 2nut s THR 1074N -2.18 0.56 0.47 4.99 -1.32 -0.57 -4.95 115.64 112.64 2nut s THR 1074Ca 0.42 -2.00 0.41 0.00 -1.21 0.00 0.00 61.69 59.30 2nut s THR 1074Cb -0.10 -2.64 0.42 0.00 -1.51 0.00 0.00 72.50 68.67 2nut s THR 1074CO 0.33 0.00 2.24 -0.33 -2.21 0.00 0.00 174.62 174.65 2nut h GLU 1075N 2.38 0.00 0.00 7.08 3.07 -1.99 -2.94 114.58 122.18 2nut h GLU 1075Ca -0.38 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.48 2nut h GLU 1075Cb 1.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 2nut h GLU 1075CO 0.61 0.00 -0.11 -1.13 -1.40 0.00 0.00 179.01 176.98 2nut n SER 1076N -3.01 1.51 -3.60 1.42 3.41 -1.26 -5.06 113.62 107.03 2nut n SER 1076Ca -0.02 -2.39 -0.16 0.00 -0.26 0.00 0.00 58.87 56.03 2nut n SER 1076Cb 0.12 -0.24 -0.07 0.00 -0.26 0.00 0.00 64.21 63.76 2nut n SER 1076CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nut s ALA 1077N -1.54 -1.47 0.69 7.33 0.00 -1.11 -4.23 121.76 121.42 2nut s ALA 1077Ca 0.15 1.06 -0.12 0.00 0.00 0.00 0.00 51.96 53.05 2nut s ALA 1077Cb 0.13 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.22 2nut s ALA 1077CO 0.01 -0.33 1.06 -0.51 0.00 0.00 0.00 175.76 175.99 2nut s LEU 1078N -1.15 3.18 0.83 0.00 1.43 -1.26 -1.51 118.68 120.20 2nut s LEU 1078Ca -0.11 1.68 -0.09 0.00 -1.03 0.00 0.00 54.13 54.58 2nut s LEU 1078Cb -0.02 -4.51 0.15 0.00 0.03 0.00 0.00 46.19 41.85 2nut s LEU 1078CO 0.08 -1.47 1.15 -0.94 0.23 0.00 0.00 176.35 175.39 2nut s SER 1079N -3.56 3.86 0.13 2.29 1.04 -1.26 -4.57 113.70 111.64 2nut s SER 1079Ca 0.59 0.05 -0.15 0.00 0.48 0.00 0.00 55.95 56.92 2nut s SER 1079Cb -0.15 -0.31 -0.00 0.00 0.10 0.00 0.00 66.02 65.66 2nut s SER 1079CO 0.52 -2.22 1.67 0.22 0.98 0.00 0.00 173.24 174.41 2nut h TYR 1080N -1.04 0.65 -0.52 5.02 3.20 -0.73 -1.52 116.97 122.04 2nut h TYR 1080Ca -0.41 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.39 2nut h TYR 1080Cb 1.26 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.31 2nut h TYR 1080CO -0.54 0.58 0.28 -0.92 -1.64 0.00 0.00 178.16 175.92 2nut h TYR 1081N 0.53 0.71 -0.45 -3.82 3.20 -1.94 -1.26 116.97 113.93 2nut h TYR 1081Ca 0.14 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 2nut h TYR 1081Cb 0.22 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 2nut h TYR 1081CO 0.01 0.52 0.25 0.93 -1.64 0.00 0.00 178.16 178.23 2nut h GLU 1082N 0.69 0.64 -0.95 1.82 5.08 -1.91 -1.02 114.58 118.93 2nut h GLU 1082Ca 0.18 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.54 2nut h GLU 1082Cb 0.05 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.11 2nut h GLU 1082CO -0.03 0.50 0.61 0.35 -1.00 0.00 0.00 179.01 179.45 2nut h PHE 1083N 0.60 1.10 -0.34 4.33 3.57 -0.92 0.64 116.94 125.91 2nut h PHE 1083Ca 0.16 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.58 2nut h PHE 1083Cb 0.05 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 2nut h PHE 1083CO -0.02 0.56 -0.20 -0.07 -2.23 0.00 0.00 178.31 176.35 2nut h LEU 1084N 1.07 0.77 -0.76 0.59 3.38 -0.68 -1.40 115.31 118.27 2nut h LEU 1084Ca 0.42 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2nut h LEU 1084Cb 0.24 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 2nut h LEU 1084CO -0.17 1.02 0.48 -0.07 0.09 0.00 0.00 178.44 179.79 2nut h LEU 1085N 0.52 0.80 -0.28 1.67 4.07 -0.29 -0.85 115.31 120.94 2nut h LEU 1085Ca 0.07 -0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.01 2nut h LEU 1085Cb 0.74 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 2nut h LEU 1085CO 0.06 0.56 0.11 -0.74 -1.08 0.00 0.00 178.44 177.34 2nut h HIS 1086N 0.95 0.44 -0.39 1.13 2.76 -0.74 -2.16 115.15 117.14 2nut h HIS 1086Ca 0.30 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 2nut h HIS 1086Cb -0.00 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 28.81 2nut h HIS 1086CO -0.03 0.44 0.25 0.82 -1.30 0.00 0.00 177.93 178.10 2nut h ILE 1087N 0.31 1.11 -0.83 6.26 1.08 -0.82 -2.53 117.51 122.09 2nut h ILE 1087Ca 0.09 -0.22 0.02 0.00 -0.39 0.00 0.00 64.86 64.36 2nut h ILE 1087Cb 0.19 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 34.47 2nut h ILE 1087CO -0.01 0.11 0.55 -0.61 -0.69 0.00 0.00 178.15 177.50 2nut h GLN 1088N 0.52 1.06 -0.75 2.37 4.15 -1.04 0.51 115.11 121.93 2nut h GLN 1088Ca 0.14 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.48 2nut h GLN 1088Cb -0.04 -0.24 -0.04 0.00 0.21 0.00 0.00 27.48 27.38 2nut h GLN 1088CO -0.03 0.70 0.39 0.37 -1.93 0.00 0.00 178.83 178.34 2nut h GLN 1089N 1.09 1.04 0.18 1.69 4.15 -1.12 -2.74 115.11 119.41 2nut h GLN 1089Ca 0.32 -0.12 -0.31 0.00 0.77 0.00 0.00 58.65 59.31 2nut h GLN 1089Cb -0.07 -0.20 0.02 0.00 0.21 0.00 0.00 27.48 27.43 2nut h GLN 1089CO -0.08 0.78 -1.39 1.96 -1.93 0.00 0.00 178.83 178.17 2nut h GLN 1090N 1.05 0.38 -0.75 1.69 1.08 -0.69 -3.04 115.11 114.82 2nut h GLN 1090Ca 0.26 -0.64 0.03 0.00 -1.45 0.00 0.00 58.65 56.85 2nut h GLN 1090Cb 0.05 0.24 -0.05 0.00 -0.05 0.00 0.00 27.48 27.68 2nut h GLN 1090CO -0.04 1.30 0.48 0.28 -0.95 0.00 0.00 178.83 179.89 2nut h VAL 1091N 0.10 1.12 -0.50 -0.54 2.07 0.10 -2.88 116.25 115.71 2nut h VAL 1091Ca -0.20 -0.32 -0.22 0.00 0.82 0.00 0.00 66.70 66.78 2nut h VAL 1091Cb 2.06 0.10 -0.13 0.00 -1.52 0.00 0.00 31.29 31.80 2nut h VAL 1091CO 0.23 0.17 0.11 -0.46 0.02 0.00 0.00 177.57 177.64 2nut n ASN 1092N -4.62 3.20 0.00 0.57 0.23 -1.05 -4.77 115.26 108.82 2nut n ASN 1092Ca 0.08 -3.56 0.00 0.00 -0.53 0.00 0.00 54.58 50.57 2nut n ASN 1092Cb 0.08 -0.67 0.00 0.00 -2.08 0.00 0.00 39.78 37.11 2nut n ASN 1092CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62