#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nrx s ARG 343 N 0.00 4.37 0.20 3.23 0.52 -1.26 -4.73 118.95 121.28 2nrx s ARG 343 Ca 0.00 1.90 -0.11 0.00 -0.52 0.00 0.00 55.73 57.00 2nrx s ARG 343 Cb 0.00 -3.35 0.25 0.00 0.52 0.00 0.00 34.95 32.37 2nrx s ARG 343 CO 0.00 -0.38 1.70 -0.22 0.02 0.00 0.00 175.30 176.42 2nrx h LYS 344 N 6.98 0.21 -0.34 3.54 3.64 -1.99 -0.29 116.57 128.31 2nrx h LYS 344 Ca -0.41 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.01 2nrx h LYS 344 Cb 1.20 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.93 2nrx h LYS 344 CO 0.85 0.14 0.05 0.93 -2.27 0.00 0.00 179.45 179.15 2nrx h GLU 345 N 0.22 0.16 -0.47 1.90 5.08 -1.99 0.27 114.58 119.74 2nrx h GLU 345 Ca 0.29 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.58 2nrx h GLU 345 Cb 0.43 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2nrx h GLU 345 CO -0.40 0.11 0.04 0.00 -1.00 0.00 0.00 179.01 177.76 2nrx h ALA 346 N 1.26 1.20 -0.67 3.43 0.00 -1.71 -1.39 119.26 121.38 2nrx h ALA 346 Ca 0.16 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2nrx h ALA 346 Cb 0.19 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2nrx h ALA 346 CO -0.23 0.53 0.19 -0.07 0.00 0.00 0.00 179.25 179.68 2nrx h LEU 347 N 0.71 0.99 -1.02 0.00 3.38 -0.66 0.71 115.31 119.42 2nrx h LEU 347 Ca 0.15 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2nrx h LEU 347 Cb 0.37 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2nrx h LEU 347 CO 0.01 0.95 0.22 -0.33 0.09 0.00 0.00 178.44 179.38 2nrx h GLU 348 N 0.98 0.93 -0.41 1.13 5.08 -0.63 0.76 114.58 122.42 2nrx h GLU 348 Ca 0.21 -0.16 -0.15 0.00 -1.00 0.00 0.00 59.36 58.26 2nrx h GLU 348 Cb 0.33 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2nrx h GLU 348 CO -0.00 0.78 -0.32 0.93 -1.00 0.00 0.00 179.01 179.40 2nrx h GLU 349 N 0.91 0.94 -0.34 2.33 5.08 -0.90 -0.77 114.58 121.82 2nrx h GLU 349 Ca 0.21 -0.46 0.05 0.00 -1.00 0.00 0.00 59.36 58.15 2nrx h GLU 349 Cb 0.22 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2nrx h GLU 349 CO -0.01 1.12 0.09 1.25 -1.00 0.00 0.00 179.01 180.46 2nrx h LEU 350 N 0.77 0.06 -0.69 1.33 5.85 -0.62 0.13 115.31 122.13 2nrx h LEU 350 Ca 0.08 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.90 2nrx h LEU 350 Cb 0.91 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 2nrx h LEU 350 CO 0.08 0.07 0.40 -0.03 -0.34 0.00 0.00 178.44 178.62 2nrx h MET 351 N 0.22 0.71 -0.52 1.25 4.05 -0.55 -0.67 114.93 119.42 2nrx h MET 351 Ca 0.16 -0.04 -0.10 0.00 -0.28 0.00 0.00 59.70 59.44 2nrx h MET 351 Cb 0.16 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 2nrx h MET 351 CO -0.19 0.47 -0.05 0.87 0.23 0.00 0.00 176.91 178.24 2nrx h LYS 352 N 0.73 0.95 -0.54 0.39 1.57 -0.69 -1.76 116.57 117.21 2nrx h LYS 352 Ca 0.31 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 2nrx h LYS 352 Cb 0.17 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2nrx h LYS 352 CO -0.17 0.99 0.13 1.25 -0.57 0.00 0.00 179.45 181.07 2nrx h LEU 353 N 0.81 0.78 -1.16 2.94 5.85 0.01 -2.59 115.31 121.94 2nrx h LEU 353 Ca 0.14 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2nrx h LEU 353 Cb 0.59 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2nrx h LEU 353 CO 0.04 0.76 0.00 0.18 -0.34 0.00 0.00 178.44 179.08 2nrx n LEU 354 N -4.27 1.76 -3.80 2.25 4.77 -0.33 -4.95 117.00 112.43 2nrx n LEU 354 Ca 0.04 -0.69 -0.29 0.00 -0.03 0.00 0.00 56.01 55.04 2nrx n LEU 354 Cb 0.23 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 2nrx n LEU 354 CO 0.40 0.34 0.07 0.59 -1.33 0.00 0.00 177.39 177.47 2nrx n ASN 355 N 0.38 -4.70 -4.73 -1.43 3.02 -0.95 -4.94 115.26 101.91 2nrx n ASN 355 Ca 0.17 -0.70 -0.41 0.00 -0.03 0.00 0.00 54.58 53.61 2nrx n ASN 355 Cb 0.36 -3.77 -0.04 0.00 -0.61 0.00 0.00 39.78 35.72 2nrx n ASN 355 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2nrx s MET 356 N -6.50 4.65 0.15 3.52 -1.94 -0.70 -4.96 119.30 113.52 2nrx s MET 356 Ca 0.61 1.59 0.05 0.00 -1.71 0.00 0.00 55.69 56.24 2nrx s MET 356 Cb -0.31 -3.32 -0.07 0.00 2.01 0.00 0.00 34.83 33.14 2nrx s MET 356 CO 0.76 0.15 1.35 0.87 -0.01 0.00 0.00 175.02 178.13 2nrx h LYS 357 N 5.31 0.08 -6.16 2.03 1.57 -1.92 -3.46 116.57 114.02 2nrx h LYS 357 Ca -0.44 -0.11 -0.64 0.00 -1.87 0.00 0.00 60.65 57.60 2nrx h LYS 357 Cb 1.21 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 33.47 2nrx h LYS 357 CO 0.72 0.95 -0.60 -0.51 -0.57 0.00 0.00 179.45 179.44 2nrx s ASP 358 N -6.84 5.57 0.30 0.86 1.01 -1.26 -5.10 116.67 111.22 2nrx s ASP 358 Ca -0.01 0.01 -0.29 0.00 0.71 0.00 0.00 52.55 52.97 2nrx s ASP 358 Cb 0.10 -1.51 -0.10 0.00 1.01 0.00 0.00 42.92 42.42 2nrx s ASP 358 CO 0.82 0.18 1.30 0.12 0.21 0.00 0.00 175.17 177.79 2nrx s PHE 359 N -1.38 3.12 -1.33 4.23 5.36 -1.26 -4.91 117.98 121.80 2nrx s PHE 359 Ca 0.29 1.39 -0.16 0.00 -0.96 0.00 0.00 56.93 57.49 2nrx s PHE 359 Cb -0.12 -3.65 0.01 0.00 -0.34 0.00 0.00 43.02 38.92 2nrx s PHE 359 CO 0.22 -1.80 2.13 -0.35 -1.46 0.00 0.00 175.22 173.96 2nrx n PRO 360 N 1.17 2.65 -0.08 10.12 -0.04 -1.26 -4.68 135.00 142.88 2nrx n PRO 360 Ca 0.01 -2.55 -0.13 0.00 -0.04 0.00 0.00 63.50 60.79 2nrx n PRO 360 Cb 0.42 -3.26 -0.05 0.00 -0.04 0.00 0.00 33.50 30.57 2nrx n PRO 360 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 2nrx h TYR 361 N 6.50 0.80 -3.28 0.54 3.20 -1.93 -3.42 116.97 119.38 2nrx h TYR 361 Ca 0.53 -0.25 -0.66 0.00 3.14 0.00 0.00 58.73 61.49 2nrx h TYR 361 Cb 0.67 -0.16 -0.30 0.00 1.54 0.00 0.00 36.73 38.48 2nrx h TYR 361 CO 1.42 0.98 -0.77 0.50 -1.64 0.00 0.00 178.16 178.65 2nrx s ARG 362 N -4.31 3.25 -0.09 1.82 3.52 -1.26 -0.91 118.95 120.97 2nrx s ARG 362 Ca -0.12 -0.70 0.04 0.00 -0.13 0.00 0.00 55.73 54.82 2nrx s ARG 362 Cb 0.08 -2.84 -0.00 0.00 -1.56 0.00 0.00 34.95 30.63 2nrx s ARG 362 CO 0.82 -0.17 -0.23 0.42 -0.81 0.00 0.00 175.30 175.33 2nrx s ILE 363 N 1.33 1.99 -0.01 4.11 1.01 -0.04 -0.84 121.20 128.76 2nrx s ILE 363 Ca 0.04 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.74 2nrx s ILE 363 Cb -0.14 -1.72 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 2nrx s ILE 363 CO -0.06 0.55 -0.10 -1.61 0.00 0.00 0.00 174.94 173.72 2nrx s GLU 364 N 0.32 2.49 -0.06 2.79 2.02 -0.63 -0.53 118.70 125.09 2nrx s GLU 364 Ca -0.17 -0.74 0.04 0.00 0.02 0.00 0.00 54.97 54.12 2nrx s GLU 364 Cb -0.17 -2.44 -0.00 0.00 0.10 0.00 0.00 34.13 31.61 2nrx s GLU 364 CO 0.08 0.60 -0.18 0.20 0.02 0.00 0.00 175.26 175.98 2nrx s GLY 365 N -1.22 1.01 -0.10 -1.39 0.00 -0.19 0.34 107.32 105.77 2nrx s GLY 365 Ca 0.15 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 44.16 2nrx s GLY 365 CO 0.05 -0.33 -0.19 -0.42 0.00 0.00 0.00 173.10 172.21 2nrx s ILE 366 N 0.13 2.57 -0.10 0.90 1.01 -0.08 -1.00 121.20 124.63 2nrx s ILE 366 Ca -0.07 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.75 2nrx s ILE 366 Cb -0.13 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 2nrx s ILE 366 CO 0.03 0.55 -0.18 -0.62 0.00 0.00 0.00 174.94 174.73 2nrx s ASP 367 N 0.13 3.65 -0.24 3.58 2.15 -0.61 -1.31 116.67 124.03 2nrx s ASP 367 Ca -0.10 -0.39 -0.07 0.00 0.43 0.00 0.00 52.55 52.43 2nrx s ASP 367 Cb -0.16 -1.33 -0.02 0.00 -0.30 0.00 0.00 42.92 41.11 2nrx s ASP 367 CO 0.06 0.20 0.04 -0.63 -0.17 0.00 0.00 175.17 174.68 2nrx s ILE 368 N 0.10 4.13 0.15 4.11 -1.09 -1.26 -0.32 121.20 127.02 2nrx s ILE 368 Ca -0.08 -0.24 0.05 0.00 -2.23 0.00 0.00 60.65 58.15 2nrx s ILE 368 Cb -0.15 -2.92 -0.04 0.00 -1.58 0.00 0.00 42.46 37.77 2nrx s ILE 368 CO 0.05 0.36 -0.11 -0.44 -1.23 0.00 0.00 174.94 173.58 2nrx s SER 369 N 1.52 1.88 0.06 3.58 0.01 -0.23 -5.02 113.70 115.51 2nrx s SER 369 Ca 0.06 -1.01 0.09 0.00 1.31 0.00 0.00 55.95 56.40 2nrx s SER 369 Cb -0.15 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.03 2nrx s SER 369 CO 0.02 -0.31 -0.24 -2.28 0.41 0.00 0.00 173.24 170.84 2nrx s HIS 370 N -3.26 2.11 -0.29 2.43 2.46 -1.26 0.01 115.29 117.49 2nrx s HIS 370 Ca 0.17 -0.40 -0.05 0.00 0.47 0.00 0.00 55.06 55.26 2nrx s HIS 370 Cb 0.02 -1.23 0.02 0.00 -0.13 0.00 0.00 32.58 31.27 2nrx s HIS 370 CO 0.01 0.16 0.04 -0.51 -2.47 0.00 0.00 174.74 171.97 2nrx s LEU 371 N -1.42 3.77 0.16 8.88 1.02 0.53 -4.90 118.68 126.71 2nrx s LEU 371 Ca 0.10 -0.91 -0.32 0.00 0.02 0.00 0.00 54.13 53.02 2nrx s LEU 371 Cb -0.10 -1.80 -0.17 0.00 0.02 0.00 0.00 46.19 44.15 2nrx s LEU 371 CO 0.03 -0.21 0.88 0.00 0.02 0.00 0.00 176.35 177.07 2nrx n GLN 372 N 4.77 0.48 -1.48 1.70 6.02 -1.26 -1.69 117.38 125.92 2nrx n GLN 372 Ca -0.14 0.17 -0.17 0.00 -0.01 0.00 0.00 57.00 56.85 2nrx n GLN 372 Cb 0.46 -1.47 -0.07 0.00 1.02 0.00 0.00 30.24 30.18 2nrx n GLN 372 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2nrx n GLY 373 N 1.81 1.61 0.00 1.08 0.00 -0.68 -4.77 105.19 104.24 2nrx n GLY 373 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2nrx n GLY 373 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2nrx n LYS 374 N -2.00 0.00 -3.52 1.61 5.02 -0.68 -4.79 118.16 113.80 2nrx n LYS 374 Ca -0.17 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.02 2nrx n LYS 374 Cb 0.58 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.57 2nrx n LYS 374 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2nrx s TYR 375 N 0.00 -0.44 0.11 2.13 -0.85 -1.11 -2.21 117.35 114.98 2nrx s TYR 375 Ca 0.00 0.19 -0.12 0.00 -0.52 0.00 0.00 57.07 56.62 2nrx s TYR 375 Cb 0.00 0.59 -0.06 0.00 0.38 0.00 0.00 41.96 42.87 2nrx s TYR 375 CO 0.00 -0.90 0.47 0.95 -1.52 0.00 0.00 175.55 174.56 2nrx s THR 376 N -3.71 4.98 -0.18 -3.49 -4.23 -0.51 -0.35 115.64 108.15 2nrx s THR 376 Ca 0.04 0.64 -0.01 0.00 -1.18 0.00 0.00 61.69 61.17 2nrx s THR 376 Cb -0.02 -3.69 -0.01 0.00 1.34 0.00 0.00 72.50 70.12 2nrx s THR 376 CO -0.08 0.27 -0.11 0.54 -0.54 0.00 0.00 174.62 174.70 2nrx s VAL 377 N -1.43 2.99 -0.13 2.29 0.11 0.10 -1.59 120.40 122.75 2nrx s VAL 377 Ca 0.35 -0.65 -0.07 0.00 -2.93 0.00 0.00 61.98 58.69 2nrx s VAL 377 Cb -0.14 -2.30 -0.04 0.00 -1.53 0.00 0.00 36.38 32.36 2nrx s VAL 377 CO 0.19 0.49 0.13 0.00 -3.33 0.00 0.00 175.10 172.57 2nrx s ALA 378 N 0.98 3.83 -0.10 1.54 0.00 0.12 -1.06 121.76 127.07 2nrx s ALA 378 Ca -0.01 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.33 2nrx s ALA 378 Cb -0.15 -1.96 -0.00 0.00 0.00 0.00 0.00 23.12 21.01 2nrx s ALA 378 CO -0.01 0.58 -0.23 -1.12 0.00 0.00 0.00 175.76 174.98 2nrx s SER 379 N -0.89 3.21 -0.20 0.00 0.01 0.56 -0.62 113.70 115.77 2nrx s SER 379 Ca 0.14 -0.52 0.01 0.00 1.31 0.00 0.00 55.95 56.89 2nrx s SER 379 Cb -0.12 -1.36 0.03 0.00 0.21 0.00 0.00 66.02 64.78 2nrx s SER 379 CO 0.03 0.17 -0.16 -0.22 0.41 0.00 0.00 173.24 173.48 2nrx s LEU 380 N 0.27 2.53 0.22 2.44 2.96 0.44 -1.57 118.68 125.98 2nrx s LEU 380 Ca -0.16 -0.79 0.07 0.00 -0.22 0.00 0.00 54.13 53.04 2nrx s LEU 380 Cb -0.17 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 2nrx s LEU 380 CO 0.08 -0.05 0.11 0.68 -1.32 0.00 0.00 176.35 175.85 2nrx s VAL 381 N 1.27 4.11 -0.05 1.68 -7.23 -0.17 -1.75 120.40 118.26 2nrx s VAL 381 Ca 0.02 -1.46 0.02 0.00 -1.81 0.00 0.00 61.98 58.75 2nrx s VAL 381 Cb -0.15 -3.16 0.02 0.00 0.56 0.00 0.00 36.38 33.65 2nrx s VAL 381 CO -0.10 -0.27 -0.08 -0.69 -0.31 0.00 0.00 175.10 173.66 2nrx s VAL 382 N -2.03 0.75 -0.12 1.32 1.01 -1.26 -1.02 120.40 119.05 2nrx s VAL 382 Ca 0.31 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 2nrx s VAL 382 Cb -0.08 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 2nrx s VAL 382 CO 0.22 0.27 -0.07 -0.36 0.00 0.00 0.00 175.10 175.16 2nrx s PHE 383 N 0.71 2.96 -0.04 5.22 0.08 0.31 -0.18 117.98 127.02 2nrx s PHE 383 Ca -0.11 -0.27 0.01 0.00 0.12 0.00 0.00 56.93 56.68 2nrx s PHE 383 Cb -0.14 -1.86 0.02 0.00 -0.57 0.00 0.00 43.02 40.47 2nrx s PHE 383 CO 0.01 0.04 -0.06 -2.00 -0.10 0.00 0.00 175.22 173.11 2nrx s GLU 384 N -0.00 0.99 -1.51 0.44 2.12 0.08 -0.86 118.70 119.97 2nrx s GLU 384 Ca -0.01 -0.19 -0.04 0.00 0.36 0.00 0.00 54.97 55.10 2nrx s GLU 384 Cb -0.14 -0.93 0.01 0.00 0.26 0.00 0.00 34.13 33.34 2nrx s GLU 384 CO 0.03 -0.03 0.37 -3.47 -0.54 0.00 0.00 175.26 171.62 2nrx n ASP 385 N 3.87 -5.42 0.00 -1.70 2.03 -0.08 -2.35 116.55 112.89 2nrx n ASP 385 Ca -0.24 -0.18 0.00 0.00 0.52 0.00 0.00 54.79 54.89 2nrx n ASP 385 Cb 0.52 -4.45 0.00 0.00 -0.72 0.00 0.00 41.12 36.47 2nrx n ASP 385 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2nrx n GLY 386 N -1.26 0.89 3.28 0.27 0.00 -1.26 -4.93 105.19 102.18 2nrx n GLY 386 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 2nrx n GLY 386 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nrx s PHE 387 N -3.56 1.71 0.28 1.61 0.08 -0.99 0.04 117.98 117.15 2nrx s PHE 387 Ca 0.00 -0.44 -0.29 0.00 0.12 0.00 0.00 56.93 56.32 2nrx s PHE 387 Cb 0.00 -0.92 -0.14 0.00 -0.57 0.00 0.00 43.02 41.39 2nrx s PHE 387 CO 0.00 0.21 1.18 -2.30 -0.10 0.00 0.00 175.22 174.21 2nrx n PRO 388 N 0.93 1.67 -3.76 0.24 -0.02 -1.26 -0.74 135.00 132.06 2nrx n PRO 388 Ca -0.18 0.59 -0.34 0.00 -2.02 0.00 0.00 63.50 61.54 2nrx n PRO 388 Cb 0.54 -2.08 -0.10 0.00 -0.02 0.00 0.00 33.50 31.84 2nrx n PRO 388 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2nrx s LYS 389 N -1.28 2.62 0.47 -0.52 2.20 0.74 -4.79 119.74 119.19 2nrx s LYS 389 Ca 0.61 -2.82 0.24 0.00 -0.36 0.00 0.00 55.97 53.64 2nrx s LYS 389 Cb -0.67 -3.68 1.16 0.00 -1.51 0.00 0.00 37.83 33.13 2nrx s LYS 389 CO 0.58 -1.20 1.95 0.87 -0.36 0.00 0.00 175.35 177.19 2nrx h LYS 390 N 6.50 0.00 -0.08 4.03 1.79 -1.93 -1.56 116.57 125.32 2nrx h LYS 390 Ca 0.03 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.53 2nrx h LYS 390 Cb 0.89 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.53 2nrx h LYS 390 CO 0.74 0.20 0.09 0.78 -1.08 0.00 0.00 179.45 180.18 2nrx h GLY 391 N 1.25 0.00 -1.37 3.86 0.00 -1.97 -2.19 103.07 102.65 2nrx h GLY 391 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2nrx h GLY 391 CO 0.03 0.00 -0.16 1.22 0.00 0.00 0.00 176.54 177.62 2nrx n ASP 392 N -3.78 2.44 -4.76 0.19 9.92 -0.59 -4.96 116.55 115.00 2nrx n ASP 392 Ca -0.01 -1.74 -0.38 0.00 -0.53 0.00 0.00 54.79 52.13 2nrx n ASP 392 Cb 0.19 0.16 0.01 0.00 -0.64 0.00 0.00 41.12 40.84 2nrx n ASP 392 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2nrx s TYR 393 N -2.18 2.60 0.04 1.24 1.51 -0.82 -4.80 117.35 114.94 2nrx s TYR 393 Ca 0.26 1.44 -0.04 0.00 -1.01 0.00 0.00 57.07 57.72 2nrx s TYR 393 Cb 0.19 -3.62 -0.02 0.00 -0.11 0.00 0.00 41.96 38.40 2nrx s TYR 393 CO 0.40 -2.24 0.05 1.03 -1.11 0.00 0.00 175.55 173.68 2nrx s ARG 394 N -2.71 0.58 0.18 -0.62 1.81 -0.72 -5.01 118.95 112.46 2nrx s ARG 394 Ca 0.66 -0.89 0.07 0.00 -1.72 0.00 0.00 55.73 53.85 2nrx s ARG 394 Cb -0.36 0.22 -0.04 0.00 -0.45 0.00 0.00 34.95 34.32 2nrx s ARG 394 CO 0.43 -0.14 0.03 1.03 -0.68 0.00 0.00 175.30 175.98 2nrx s ARG 395 N -2.97 2.51 -0.03 3.54 0.52 -1.26 -0.42 118.95 120.84 2nrx s ARG 395 Ca -0.02 -1.07 0.04 0.00 -0.52 0.00 0.00 55.73 54.16 2nrx s ARG 395 Cb 0.01 -2.41 -0.00 0.00 0.52 0.00 0.00 34.95 33.07 2nrx s ARG 395 CO -0.06 0.46 -0.14 0.71 0.02 0.00 0.00 175.30 176.28 2nrx s TYR 396 N -1.77 1.41 -0.07 -0.53 2.02 0.21 -4.97 117.35 113.65 2nrx s TYR 396 Ca 0.28 -0.35 0.04 0.00 -0.37 0.00 0.00 57.07 56.67 2nrx s TYR 396 Cb -0.09 -0.94 0.00 0.00 -0.40 0.00 0.00 41.96 40.52 2nrx s TYR 396 CO 0.20 -0.10 -0.19 0.15 -1.57 0.00 0.00 175.55 174.03 2nrx s LYS 397 N -0.05 2.23 -0.26 -0.62 1.02 -1.26 0.15 119.74 120.95 2nrx s LYS 397 Ca -0.00 -0.68 0.01 0.00 0.02 0.00 0.00 55.97 55.32 2nrx s LYS 397 Cb -0.09 -1.81 0.05 0.00 -0.52 0.00 0.00 37.83 35.46 2nrx s LYS 397 CO 0.01 0.19 -0.09 0.42 -0.92 0.00 0.00 175.35 174.96 2nrx s ILE 398 N 0.26 2.47 -0.11 2.17 -1.09 -0.62 -4.99 121.20 119.30 2nrx s ILE 398 Ca -0.11 -1.39 -0.29 0.00 -2.23 0.00 0.00 60.65 56.62 2nrx s ILE 398 Cb -0.15 -2.37 -0.03 0.00 -1.58 0.00 0.00 42.46 38.33 2nrx s ILE 398 CO 0.05 0.06 1.46 -0.70 -1.23 0.00 0.00 174.94 174.57 2nrx s GLU 399 N 1.20 4.21 0.00 2.79 2.12 -1.26 -1.42 118.70 126.33 2nrx s GLU 399 Ca -0.05 1.92 0.00 0.00 0.36 0.00 0.00 54.97 57.20 2nrx s GLU 399 Cb -0.19 -3.87 0.00 0.00 0.26 0.00 0.00 34.13 30.33 2nrx s GLU 399 CO -0.05 -0.78 0.00 0.00 -0.54 0.00 0.00 175.26 173.90 2nrx n GLN 400 N 6.86 0.00 0.00 4.30 10.64 -0.94 -4.96 117.38 133.29 2nrx n GLN 400 Ca 0.16 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.27 2nrx n GLN 400 Cb 0.44 0.00 0.14 0.00 -0.86 0.00 0.00 30.24 29.96 2nrx n GLN 400 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 2nrx h ASP 401 N 0.00 0.54 -4.29 2.61 3.32 -1.87 -2.95 116.42 113.77 2nrx h ASP 401 Ca 0.00 -0.22 -0.51 0.00 0.02 0.00 0.00 57.03 56.33 2nrx h ASP 401 Cb 0.00 -0.15 -0.22 0.00 0.22 0.00 0.00 39.33 39.18 2nrx h ASP 401 CO 0.00 0.85 -0.81 -1.00 -1.72 0.00 0.00 179.24 176.55 2nrx s HIS 402 N -4.33 1.57 0.43 4.55 3.76 -1.26 -1.69 115.29 118.31 2nrx s HIS 402 Ca -0.07 -0.42 -0.25 0.00 -0.15 0.00 0.00 55.06 54.17 2nrx s HIS 402 Cb 0.13 -0.88 -0.08 0.00 1.11 0.00 0.00 32.58 32.86 2nrx s HIS 402 CO 0.81 0.13 1.25 -1.25 -0.85 0.00 0.00 174.74 174.83 2nrx s PRO 403 N -1.69 3.88 -0.43 8.40 0.04 -1.26 -4.93 135.00 139.00 2nrx s PRO 403 Ca 0.04 2.01 0.05 0.00 0.04 0.00 0.00 61.00 63.13 2nrx s PRO 403 Cb -0.10 -2.63 0.17 0.00 0.04 0.00 0.00 34.50 31.99 2nrx s PRO 403 CO 0.03 -0.52 0.46 0.34 0.04 0.00 0.00 177.00 177.35 2nrx s ASP 404 N -0.98 0.54 0.46 6.66 -1.08 -1.26 -5.04 116.67 115.98 2nrx s ASP 404 Ca 0.59 -2.36 0.12 0.00 -0.52 0.00 0.00 52.55 50.39 2nrx s ASP 404 Cb -0.35 0.46 1.04 0.00 -1.46 0.00 0.00 42.92 42.61 2nrx s ASP 404 CO 0.43 -0.16 2.07 0.44 0.52 0.00 0.00 175.17 178.47 2nrx h ASP 405 N 5.77 0.17 -0.03 -0.34 3.32 -1.98 0.49 116.42 123.81 2nrx h ASP 405 Ca 0.16 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 2nrx h ASP 405 Cb 1.00 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 2nrx h ASP 405 CO 0.23 0.18 -0.05 1.88 -1.72 0.00 0.00 179.24 179.76 2nrx h TYR 406 N 0.19 0.12 -0.92 4.55 0.05 -1.96 0.09 116.97 119.09 2nrx h TYR 406 Ca 0.05 -0.04 0.02 0.00 0.05 0.00 0.00 58.73 58.81 2nrx h TYR 406 Cb 0.09 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 37.76 2nrx h TYR 406 CO 0.00 0.61 0.61 1.49 -1.05 0.00 0.00 178.16 179.82 2nrx h GLU 407 N -0.41 1.18 -0.30 4.88 4.57 -1.81 -1.95 114.58 120.75 2nrx h GLU 407 Ca 0.00 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2nrx h GLU 407 Cb 0.60 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 2nrx h GLU 407 CO 0.01 0.78 0.19 0.77 -1.18 0.00 0.00 179.01 179.58 2nrx h SER 408 N 1.22 0.36 -0.38 1.04 0.02 0.10 -0.77 113.55 115.13 2nrx h SER 408 Ca 0.35 -0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.28 2nrx h SER 408 Cb -0.09 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 2nrx h SER 408 CO -0.09 0.29 0.21 0.40 -1.14 0.00 0.00 176.83 176.51 2nrx h ILE 409 N 0.39 1.02 -0.34 3.27 1.08 -0.75 -1.23 117.51 120.95 2nrx h ILE 409 Ca 0.11 -0.15 0.05 0.00 -0.39 0.00 0.00 64.86 64.48 2nrx h ILE 409 Cb -0.00 0.56 -0.05 0.00 -3.07 0.00 0.00 36.82 34.25 2nrx h ILE 409 CO -0.02 0.08 0.05 -0.09 -0.69 0.00 0.00 178.15 177.48 2nrx h ARG 410 N 0.43 0.16 -0.20 2.37 2.43 -1.11 -0.90 114.38 117.56 2nrx h ARG 410 Ca 0.15 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.32 2nrx h ARG 410 Cb 0.02 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 2nrx h ARG 410 CO -0.08 0.10 0.10 1.15 -1.51 0.00 0.00 179.97 179.74 2nrx h THR 411 N 0.16 1.00 -0.28 0.20 2.02 -0.80 -2.22 112.91 113.00 2nrx h THR 411 Ca 0.16 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 2nrx h THR 411 Cb 0.19 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2nrx h THR 411 CO -0.23 0.04 0.08 0.58 0.37 0.00 0.00 175.52 176.36 2nrx h VAL 412 N 0.22 1.21 -0.07 3.16 2.07 -1.00 0.15 116.25 121.99 2nrx h VAL 412 Ca 0.08 -0.66 0.03 0.00 0.82 0.00 0.00 66.70 66.96 2nrx h VAL 412 Cb 0.02 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2nrx h VAL 412 CO -0.05 0.22 -0.12 0.58 0.02 0.00 0.00 177.57 178.22 2nrx h VAL 413 N 0.29 0.69 -0.73 2.57 2.07 -1.18 0.34 116.25 120.30 2nrx h VAL 413 Ca 0.09 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 2nrx h VAL 413 Cb 0.26 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2nrx h VAL 413 CO -0.00 0.00 0.24 0.11 0.02 0.00 0.00 177.57 177.94 2nrx h LYS 414 N -0.17 1.12 -0.01 1.57 1.57 -1.23 -0.01 116.57 119.41 2nrx h LYS 414 Ca 0.07 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2nrx h LYS 414 Cb 0.26 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 2nrx h LYS 414 CO -0.17 0.94 0.00 -0.09 -0.57 0.00 0.00 179.45 179.56 2nrx h ARG 415 N 1.08 0.02 -0.02 3.15 9.65 -0.37 -1.88 114.38 126.00 2nrx h ARG 415 Ca 0.24 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.10 2nrx h ARG 415 Cb 0.28 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.85 2nrx h ARG 415 CO -0.01 0.25 -0.05 -0.09 2.80 0.00 0.00 179.97 182.86 2nrx h ARG 416 N -0.22 0.08 -0.00 0.20 2.43 -0.26 -3.30 114.38 113.31 2nrx h ARG 416 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2nrx h ARG 416 Cb 0.24 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2nrx h ARG 416 CO 0.00 0.64 -0.02 0.66 -1.51 0.00 0.00 179.97 179.74 2nrx n TYR 417 N -4.74 0.00 0.42 2.20 4.01 -0.03 -0.43 117.16 118.59 2nrx n TYR 417 Ca -0.08 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.79 2nrx n TYR 417 Cb 0.32 -0.10 0.44 0.00 -0.31 0.00 0.00 39.34 39.70 2nrx n TYR 417 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2nrx h SER 418 N 0.26 0.00 0.00 7.72 4.64 -1.41 -3.36 113.55 121.40 2nrx h SER 418 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 2nrx h SER 418 Cb 0.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 2nrx h SER 418 CO 0.00 0.00 -1.48 1.17 -0.87 0.00 0.00 176.83 175.65 2nrx n LYS 419 N -2.56 0.31 -4.20 4.77 4.81 -0.68 -5.08 118.16 115.54 2nrx n LYS 419 Ca 0.03 0.05 -0.28 0.00 -0.87 0.00 0.00 58.31 57.24 2nrx n LYS 419 Cb 0.36 -1.17 -0.08 0.00 0.02 0.00 0.00 35.03 34.16 2nrx n LYS 419 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 2nrx s HIS 420 N -2.17 2.84 0.68 5.64 3.76 0.43 -5.10 115.29 121.36 2nrx s HIS 420 Ca -0.11 -0.12 -0.13 0.00 -0.15 0.00 0.00 55.06 54.55 2nrx s HIS 420 Cb 0.03 -1.42 0.01 0.00 1.11 0.00 0.00 32.58 32.30 2nrx s HIS 420 CO 0.20 0.49 1.09 -1.25 -0.85 0.00 0.00 174.74 174.41 2nrx s PRO 421 N -2.61 2.78 0.53 8.40 0.04 -1.26 -4.43 135.00 138.46 2nrx s PRO 421 Ca 0.25 1.22 -0.21 0.00 0.04 0.00 0.00 61.00 62.31 2nrx s PRO 421 Cb -0.10 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 2nrx s PRO 421 CO 0.17 -1.24 1.18 -0.51 0.04 0.00 0.00 177.00 176.64 2nrx s LEU 422 N -5.18 3.82 0.00 -3.56 1.43 -1.26 -4.97 118.68 108.95 2nrx s LEU 422 Ca 0.63 2.32 -0.15 0.00 -1.03 0.00 0.00 54.13 55.90 2nrx s LEU 422 Cb -0.18 -4.46 0.20 0.00 0.03 0.00 0.00 46.19 41.79 2nrx s LEU 422 CO 0.47 -1.24 1.15 -0.81 0.23 0.00 0.00 176.35 176.14 2nrx n PRO 423 N -1.10 -1.24 0.17 1.29 -0.04 -1.26 -4.97 135.00 127.85 2nrx n PRO 423 Ca 0.11 -1.78 0.04 0.00 -0.04 0.00 0.00 63.50 61.83 2nrx n PRO 423 Cb 0.49 -1.21 0.27 0.00 -0.04 0.00 0.00 33.50 33.01 2nrx n PRO 423 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2nrx h ASN 424 N -1.59 0.00 -3.51 3.54 2.35 -1.34 -3.45 115.58 111.58 2nrx h ASN 424 Ca -0.37 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.24 2nrx h ASN 424 Cb 1.04 0.00 -0.26 0.00 0.05 0.00 0.00 38.32 39.14 2nrx h ASN 424 CO 0.26 0.43 -0.33 -0.22 -1.65 0.00 0.00 177.43 175.92 2nrx s LEU 425 N -7.02 0.31 -0.18 1.61 2.96 -1.12 -4.34 118.68 110.89 2nrx s LEU 425 Ca 0.00 0.75 -0.07 0.00 -0.22 0.00 0.00 54.13 54.59 2nrx s LEU 425 Cb 0.11 1.18 -0.04 0.00 0.50 0.00 0.00 46.19 47.93 2nrx s LEU 425 CO 0.70 -0.16 0.06 -0.22 -1.32 0.00 0.00 176.35 175.41 2nrx s LEU 426 N 0.87 3.79 -0.12 -0.68 2.96 -0.54 -1.61 118.68 123.35 2nrx s LEU 426 Ca -0.06 0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 53.90 2nrx s LEU 426 Cb -0.06 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 2nrx s LEU 426 CO -0.06 0.17 -0.01 0.12 -1.32 0.00 0.00 176.35 175.25 2nrx s PHE 427 N 0.37 3.12 -0.07 5.38 5.36 0.15 -0.85 117.98 131.44 2nrx s PHE 427 Ca 0.03 0.04 0.05 0.00 -0.96 0.00 0.00 56.93 56.08 2nrx s PHE 427 Cb -0.12 -1.87 -0.00 0.00 -0.34 0.00 0.00 43.02 40.69 2nrx s PHE 427 CO 0.00 0.29 -0.21 0.08 -1.46 0.00 0.00 175.22 173.92 2nrx s VAL 428 N -0.39 1.79 -1.05 3.12 1.01 0.37 -0.90 120.40 124.35 2nrx s VAL 428 Ca 0.07 -0.90 -0.18 0.00 0.00 0.00 0.00 61.98 60.98 2nrx s VAL 428 Cb -0.12 -1.54 0.13 0.00 0.00 0.00 0.00 36.38 34.85 2nrx s VAL 428 CO 0.02 0.50 1.31 -0.62 0.00 0.00 0.00 175.10 176.31 2nrx s ASP 429 N 0.11 6.76 0.00 3.32 -1.08 -0.43 -2.59 116.67 122.77 2nrx s ASP 429 Ca -0.09 -2.29 0.00 0.00 -0.52 0.00 0.00 52.55 49.65 2nrx s ASP 429 Cb -0.14 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 38.88 2nrx s ASP 429 CO 0.05 -1.03 0.00 0.61 0.52 0.00 0.00 175.17 175.32 2nrx n GLY 430 N 5.24 -0.13 0.00 2.66 0.00 -1.04 -4.75 105.19 107.17 2nrx n GLY 430 Ca 0.31 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2nrx n GLY 430 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nrx n GLY 431 N -0.30 1.82 0.34 -0.02 0.00 -1.26 -2.94 105.19 102.82 2nrx n GLY 431 Ca 0.00 -1.87 0.02 0.00 0.00 0.00 0.00 46.02 44.17 2nrx n GLY 431 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2nrx h ILE 432 N 0.00 1.04 -0.34 -0.61 3.07 -1.96 -1.63 117.51 117.08 2nrx h ILE 432 Ca 0.00 -0.35 -0.04 0.00 1.55 0.00 0.00 64.86 66.02 2nrx h ILE 432 Cb 0.00 -0.09 -0.01 0.00 -0.27 0.00 0.00 36.82 36.45 2nrx h ILE 432 CO 0.00 0.19 0.06 1.23 -1.05 0.00 0.00 178.15 178.58 2nrx h GLY 433 N 1.03 0.60 0.98 0.16 0.00 -1.99 -0.57 103.07 103.29 2nrx h GLY 433 Ca 0.41 -0.39 -0.12 0.00 0.00 0.00 0.00 47.33 47.22 2nrx h GLY 433 CO -0.19 0.37 -0.29 1.46 0.00 0.00 0.00 176.54 177.89 2nrx h GLN 434 N 0.40 0.72 -0.16 4.80 4.20 -1.82 -1.56 115.11 121.69 2nrx h GLN 434 Ca 0.10 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.44 2nrx h GLN 434 Cb 0.34 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2nrx h GLN 434 CO 0.01 0.99 0.09 0.28 -0.67 0.00 0.00 178.83 179.53 2nrx h VAL 435 N 0.47 1.02 -0.68 -0.54 2.07 -1.25 -1.12 116.25 116.23 2nrx h VAL 435 Ca 0.05 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 2nrx h VAL 435 Cb 0.86 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 2nrx h VAL 435 CO 0.07 0.04 0.13 0.78 0.02 0.00 0.00 177.57 178.61 2nrx h ASN 436 N 0.19 1.05 -0.51 0.57 -0.26 -1.10 -0.87 115.58 114.64 2nrx h ASN 436 Ca 0.06 -0.24 0.10 0.00 -0.56 0.00 0.00 56.30 55.66 2nrx h ASN 436 Cb -0.01 -0.28 -0.08 0.00 -1.06 0.00 0.00 38.32 36.89 2nrx h ASN 436 CO -0.03 1.02 0.00 0.00 -1.06 0.00 0.00 177.43 177.37 2nrx h ALA 437 N 1.10 0.49 -0.10 -0.83 0.00 -1.18 0.32 119.26 119.05 2nrx h ALA 437 Ca 0.21 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 2nrx h ALA 437 Cb 0.41 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2nrx h ALA 437 CO 0.01 -0.39 0.06 0.00 0.00 0.00 0.00 179.25 178.93 2nrx h ALA 438 N 1.46 0.13 -0.36 0.00 0.00 -0.18 -1.35 119.26 118.95 2nrx h ALA 438 Ca 0.26 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.17 2nrx h ALA 438 Cb 0.39 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2nrx h ALA 438 CO -0.43 -0.34 0.11 0.82 0.00 0.00 0.00 179.25 179.41 2nrx h ILE 439 N 0.08 0.87 -0.37 0.00 2.04 -0.98 -1.25 117.51 117.89 2nrx h ILE 439 Ca 0.04 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 2nrx h ILE 439 Cb 0.07 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 2nrx h ILE 439 CO -0.01 0.05 -0.00 -0.33 0.00 0.00 0.00 178.15 177.86 2nrx h GLU 440 N 0.25 0.59 -0.52 2.37 4.39 -0.79 -1.66 114.58 119.20 2nrx h GLU 440 Ca 0.17 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.69 2nrx h GLU 440 Cb 0.16 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2nrx h GLU 440 CO -0.19 0.61 0.16 0.00 -1.16 0.00 0.00 179.01 178.44 2nrx h ALA 441 N 1.44 0.68 0.05 3.43 0.00 -0.44 -1.87 119.26 122.55 2nrx h ALA 441 Ca 0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2nrx h ALA 441 Cb 0.36 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2nrx h ALA 441 CO 0.01 0.34 -0.02 -0.07 0.00 0.00 0.00 179.25 179.50 2nrx h LEU 442 N 0.71 -0.06 -0.92 0.00 3.38 -0.93 -2.45 115.31 115.04 2nrx h LEU 442 Ca 0.17 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.30 2nrx h LEU 442 Cb 0.28 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.94 2nrx h LEU 442 CO -0.01 -0.04 0.51 0.11 0.09 0.00 0.00 178.44 179.11 2nrx h LYS 443 N -0.07 0.68 -0.26 1.13 1.57 -1.31 0.39 116.57 118.71 2nrx h LYS 443 Ca -0.01 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2nrx h LYS 443 Cb 0.05 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2nrx h LYS 443 CO 0.01 0.45 0.06 1.49 -0.57 0.00 0.00 179.45 180.90 2nrx h GLU 444 N 0.70 0.37 -0.52 3.15 4.81 -0.98 -2.72 114.58 119.39 2nrx h GLU 444 Ca 0.51 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 2nrx h GLU 444 Cb 0.73 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.04 2nrx h GLU 444 CO -0.36 0.34 0.00 0.44 -0.73 0.00 0.00 179.01 178.70 2nrx n ILE 445 N -4.39 1.45 -0.87 2.32 -5.35 -0.62 -4.97 119.36 106.93 2nrx n ILE 445 Ca 0.01 -1.18 0.00 0.00 -0.27 0.00 0.00 62.75 61.31 2nrx n ILE 445 Cb 0.16 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 2nrx n ILE 445 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nrx n GLY 446 N 0.84 0.54 3.39 3.28 0.00 -0.47 -5.04 105.19 107.73 2nrx n GLY 446 Ca 0.20 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 2nrx n GLY 446 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2nrx s LYS 447 N -1.75 1.41 -0.06 1.61 1.02 0.00 -4.99 119.74 116.98 2nrx s LYS 447 Ca 0.00 -1.37 0.02 0.00 0.02 0.00 0.00 55.97 54.64 2nrx s LYS 447 Cb 0.00 -1.89 0.01 0.00 -0.52 0.00 0.00 37.83 35.44 2nrx s LYS 447 CO 0.00 0.44 -0.12 0.34 -0.92 0.00 0.00 175.35 175.09 2nrx s ASP 448 N -2.15 1.74 -0.27 2.83 -1.08 -1.26 -3.62 116.67 112.86 2nrx s ASP 448 Ca 0.15 -0.29 -0.23 0.00 -0.52 0.00 0.00 52.55 51.65 2nrx s ASP 448 Cb -0.10 -0.81 0.07 0.00 -1.46 0.00 0.00 42.92 40.63 2nrx s ASP 448 CO 0.07 0.03 0.72 0.00 0.52 0.00 0.00 175.17 176.51 2nrx s PRO 450 N 0.60 3.65 -0.05 0.00 0.04 -1.26 -4.90 135.00 133.07 2nrx s PRO 450 Ca -0.02 2.08 0.03 0.00 0.04 0.00 0.00 61.00 63.13 2nrx s PRO 450 Cb -0.05 -2.50 0.01 0.00 0.04 0.00 0.00 34.50 32.00 2nrx s PRO 450 CO -0.03 -0.73 -0.11 0.08 0.04 0.00 0.00 177.00 176.24 2nrx s VAL 451 N -1.35 1.02 0.03 -0.36 1.01 -1.26 -1.47 120.40 118.02 2nrx s VAL 451 Ca 0.63 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 62.21 2nrx s VAL 451 Cb -0.36 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 2nrx s VAL 451 CO 0.45 0.32 -0.14 0.54 0.00 0.00 0.00 175.10 176.27 2nrx s VAL 452 N 0.46 1.07 0.28 2.92 0.11 -0.03 -4.52 120.40 120.69 2nrx s VAL 452 Ca -0.09 -0.95 0.09 0.00 -2.93 0.00 0.00 61.98 58.10 2nrx s VAL 452 Cb -0.13 -0.97 -0.06 0.00 -1.53 0.00 0.00 36.38 33.69 2nrx s VAL 452 CO 0.02 0.02 -0.12 -0.83 -3.33 0.00 0.00 175.10 170.86 2nrx s GLY 453 N -1.07 1.87 -0.11 6.54 0.00 -0.20 -0.48 107.32 113.89 2nrx s GLY 453 Ca 0.01 -1.91 -0.00 0.00 0.00 0.00 0.00 44.72 42.83 2nrx s GLY 453 CO 0.01 -1.91 -0.08 -2.27 0.00 0.00 0.00 173.10 168.85 2nrx s LEU 454 N -3.48 1.23 0.00 0.66 2.96 -1.07 -1.28 118.68 117.70 2nrx s LEU 454 Ca 0.29 -0.29 0.00 0.00 -0.22 0.00 0.00 54.13 53.91 2nrx s LEU 454 Cb 0.00 -0.82 0.00 0.00 0.50 0.00 0.00 46.19 45.87 2nrx s LEU 454 CO 0.13 -0.10 0.00 0.00 -1.32 0.00 0.00 176.35 175.06 2nrx n ALA 455 N 4.79 0.00 0.00 5.97 0.00 0.49 -2.51 120.51 129.26 2nrx n ALA 455 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2nrx n ALA 455 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2nrx n ALA 455 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2nrx n GLU 458 N 0.00 0.00 -4.01 0.00 -0.58 -1.26 -3.23 120.64 111.56 2nrx n GLU 458 Ca 0.00 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.31 2nrx n GLU 458 Cb 0.00 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 30.89 2nrx n GLU 458 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2nrx n GLU 459 N 0.00 -0.50 -3.73 3.49 1.02 -1.26 -4.95 120.64 114.72 2nrx n GLU 459 Ca 0.00 0.21 -0.36 0.00 -0.02 0.00 0.00 57.16 56.98 2nrx n GLU 459 Cb 0.00 -2.53 -0.07 0.00 -0.02 0.00 0.00 31.44 28.82 2nrx n GLU 459 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2nrx s THR 460 N -3.43 5.38 0.18 2.62 -4.23 -1.20 -4.75 115.64 110.21 2nrx s THR 460 Ca 0.41 0.35 -0.27 0.00 -1.18 0.00 0.00 61.69 61.00 2nrx s THR 460 Cb -0.22 -3.50 -0.08 0.00 1.34 0.00 0.00 72.50 70.03 2nrx s THR 460 CO 0.96 0.52 0.83 -0.69 -0.54 0.00 0.00 174.62 175.69 2nrx s VAL 461 N -0.36 4.30 -0.17 2.29 1.01 -0.62 -0.38 120.40 126.47 2nrx s VAL 461 Ca 0.14 1.82 0.01 0.00 0.00 0.00 0.00 61.98 63.95 2nrx s VAL 461 Cb -0.12 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.08 2nrx s VAL 461 CO 0.03 0.51 -0.18 -0.69 0.00 0.00 0.00 175.10 174.77 2nrx s VAL 462 N -1.10 1.88 -0.18 2.92 1.01 -0.40 0.25 120.40 124.78 2nrx s VAL 462 Ca 0.38 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 61.42 2nrx s VAL 462 Cb -0.24 -1.71 0.06 0.00 0.00 0.00 0.00 36.38 34.49 2nrx s VAL 462 CO 0.28 0.51 0.44 0.12 0.00 0.00 0.00 175.10 176.45 2nrx s PHE 463 N 1.32 -0.62 -1.44 5.22 5.36 -0.38 -1.03 117.98 126.41 2nrx s PHE 463 Ca 0.04 1.34 -0.02 0.00 -0.96 0.00 0.00 56.93 57.34 2nrx s PHE 463 Cb -0.13 0.28 0.01 0.00 -0.34 0.00 0.00 43.02 42.85 2nrx s PHE 463 CO -0.11 -0.34 0.43 0.39 -1.46 0.00 0.00 175.22 174.12 2nrx n GLU 464 N 4.08 -3.19 -1.36 10.12 1.02 -1.26 -1.44 120.64 128.61 2nrx n GLU 464 Ca -0.22 0.39 -0.12 0.00 -0.02 0.00 0.00 57.16 57.19 2nrx n GLU 464 Cb 0.56 -4.53 -0.05 0.00 -0.02 0.00 0.00 31.44 27.39 2nrx n GLU 464 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2nrx n ASN 465 N -2.96 -4.78 -4.34 1.62 5.15 -1.26 -4.99 115.26 103.70 2nrx n ASN 465 Ca -0.28 0.31 -0.23 0.00 -0.60 0.00 0.00 54.58 53.78 2nrx n ASN 465 Cb 0.67 -3.38 -0.12 0.00 -0.53 0.00 0.00 39.78 36.43 2nrx n ASN 465 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2nrx s ARG 466 N -2.97 1.30 -0.04 1.20 1.70 -0.52 -5.13 118.95 114.48 2nrx s ARG 466 Ca 0.00 -1.38 -0.15 0.00 -0.47 0.00 0.00 55.73 53.73 2nrx s ARG 466 Cb 0.00 -1.45 -0.05 0.00 -0.57 0.00 0.00 34.95 32.88 2nrx s ARG 466 CO 0.00 0.31 0.40 -1.21 -1.08 0.00 0.00 175.30 173.71 2nrx s GLU 467 N -2.59 4.01 -0.17 3.89 2.02 -1.26 -1.25 118.70 123.34 2nrx s GLU 467 Ca 0.15 0.36 -0.00 0.00 0.02 0.00 0.00 54.97 55.50 2nrx s GLU 467 Cb -0.07 -3.28 0.00 0.00 0.10 0.00 0.00 34.13 30.88 2nrx s GLU 467 CO 0.07 0.55 -0.15 0.42 0.02 0.00 0.00 175.26 176.17 2nrx s ILE 468 N -0.61 2.61 -0.58 -1.63 1.01 0.14 -4.98 121.20 117.16 2nrx s ILE 468 Ca 0.23 -0.77 -0.09 0.00 0.00 0.00 0.00 60.65 60.02 2nrx s ILE 468 Cb -0.16 -2.12 0.15 0.00 0.01 0.00 0.00 42.46 40.34 2nrx s ILE 468 CO 0.11 0.51 0.45 -1.00 0.00 0.00 0.00 174.94 175.01 2nrx s HIS 469 N 1.07 3.48 0.20 3.97 3.76 -1.26 -1.59 115.29 124.93 2nrx s HIS 469 Ca -0.00 -2.08 -0.11 0.00 -0.15 0.00 0.00 55.06 52.71 2nrx s HIS 469 Cb -0.14 -3.50 -0.07 0.00 1.11 0.00 0.00 32.58 29.98 2nrx s HIS 469 CO -0.04 -0.96 0.55 -0.51 -0.85 0.00 0.00 174.74 172.92 2nrx s LEU 470 N 0.81 4.22 0.69 0.89 1.43 -1.26 -5.05 118.68 120.41 2nrx s LEU 470 Ca 0.11 0.97 -0.16 0.00 -1.03 0.00 0.00 54.13 54.01 2nrx s LEU 470 Cb -0.22 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.48 2nrx s LEU 470 CO -0.03 -0.01 1.22 -2.84 0.23 0.00 0.00 176.35 174.92 2nrx s PRO 471 N -2.54 2.34 0.32 1.29 0.02 -1.26 -4.87 135.00 130.30 2nrx s PRO 471 Ca 0.44 1.83 0.08 0.00 0.02 0.00 0.00 61.00 63.36 2nrx s PRO 471 Cb -0.12 -1.85 0.90 0.00 0.02 0.00 0.00 34.50 33.45 2nrx s PRO 471 CO 0.20 -1.70 1.63 1.12 -0.33 0.00 0.00 177.00 177.93 2nrx h HIS 472 N 0.04 0.50 -0.65 6.54 2.07 -1.97 -0.44 115.15 121.24 2nrx h HIS 472 Ca -0.49 0.05 0.00 0.00 -2.85 0.00 0.00 60.37 57.08 2nrx h HIS 472 Cb 1.30 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 31.22 2nrx h HIS 472 CO 0.46 -0.27 0.00 -0.40 -3.07 0.00 0.00 177.93 174.65 2nrx n ASP 473 N -5.23 4.34 -4.72 3.10 5.68 -1.26 -4.67 116.55 113.79 2nrx n ASP 473 Ca 0.27 -2.30 -0.42 0.00 -0.50 0.00 0.00 54.79 51.83 2nrx n ASP 473 Cb 0.85 -0.54 -0.03 0.00 -1.14 0.00 0.00 41.12 40.26 2nrx n ASP 473 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 2nrx s HIS 474 N -1.62 2.93 0.49 2.11 2.46 -0.18 -4.86 115.29 116.62 2nrx s HIS 474 Ca 0.48 0.42 0.21 0.00 0.47 0.00 0.00 55.06 56.65 2nrx s HIS 474 Cb 0.29 -4.10 1.25 0.00 -0.13 0.00 0.00 32.58 29.90 2nrx s HIS 474 CO 0.26 -4.10 1.96 -1.00 -2.47 0.00 0.00 174.74 169.39 2nrx h PRO 475 N 6.68 0.18 -0.03 2.88 0.13 -1.92 -0.19 132.00 139.72 2nrx h PRO 475 Ca -0.43 -0.01 -0.22 0.00 -0.87 0.00 0.00 66.00 64.47 2nrx h PRO 475 Cb 1.20 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2nrx h PRO 475 CO 0.94 0.12 -0.89 0.28 -0.23 0.00 0.00 178.00 178.22 2nrx h VAL 476 N 0.18 1.37 -0.12 1.56 2.07 -1.90 -1.39 116.25 118.02 2nrx h VAL 476 Ca 0.30 -2.31 -0.00 0.00 0.82 0.00 0.00 66.70 65.51 2nrx h VAL 476 Cb 0.94 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 2nrx h VAL 476 CO -0.05 0.70 0.06 0.25 0.02 0.00 0.00 177.57 178.55 2nrx h LEU 477 N 0.29 0.14 -1.66 2.57 5.85 -1.47 -1.40 115.31 119.64 2nrx h LEU 477 Ca -0.07 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.57 2nrx h LEU 477 Cb 1.52 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 2nrx h LEU 477 CO 0.16 0.18 0.23 0.03 -0.34 0.00 0.00 178.44 178.70 2nrx h ARG 478 N 0.10 0.45 -0.13 1.25 3.08 -1.03 -0.93 114.38 117.16 2nrx h ARG 478 Ca 0.04 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 2nrx h ARG 478 Cb 0.07 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 2nrx h ARG 478 CO -0.01 0.30 -0.06 1.25 -1.07 0.00 0.00 179.97 180.38 2nrx h LEU 479 N 0.46 0.29 -1.21 3.04 5.85 -0.96 -2.19 115.31 120.59 2nrx h LEU 479 Ca 0.13 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 2nrx h LEU 479 Cb -0.04 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2nrx h LEU 479 CO -0.03 0.64 0.23 -0.07 -0.34 0.00 0.00 178.44 178.87 2nrx h LEU 480 N -0.06 0.71 -0.60 2.25 3.38 -0.92 -1.85 115.31 118.23 2nrx h LEU 480 Ca 0.03 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2nrx h LEU 480 Cb 0.53 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 2nrx h LEU 480 CO 0.02 0.63 0.29 0.58 0.09 0.00 0.00 178.44 180.05 2nrx h VAL 481 N 0.78 1.21 -0.41 1.22 2.07 -1.09 0.33 116.25 120.36 2nrx h VAL 481 Ca 0.19 -0.60 0.07 0.00 0.82 0.00 0.00 66.70 67.19 2nrx h VAL 481 Cb 0.13 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 2nrx h VAL 481 CO -0.02 0.24 0.04 1.56 0.02 0.00 0.00 177.57 179.41 2nrx h GLN 482 N 0.81 0.15 0.04 1.57 4.20 -0.78 0.64 115.11 121.75 2nrx h GLN 482 Ca 0.20 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 2nrx h GLN 482 Cb 0.12 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.86 2nrx h GLN 482 CO -0.03 0.10 -0.02 0.82 -0.67 0.00 0.00 178.83 179.04 2nrx h ILE 483 N 0.16 1.07 -0.60 2.54 2.04 -1.08 -1.51 117.51 120.14 2nrx h ILE 483 Ca 0.20 -0.36 0.06 0.00 1.00 0.00 0.00 64.86 65.76 2nrx h ILE 483 Cb 0.27 1.31 -0.05 0.00 -0.74 0.00 0.00 36.82 37.61 2nrx h ILE 483 CO -0.30 0.09 0.31 -0.09 0.00 0.00 0.00 178.15 178.16 2nrx h ARG 484 N -0.21 0.55 -0.51 2.37 1.12 -0.12 -1.19 114.38 116.40 2nrx h ARG 484 Ca -0.01 -0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 58.80 2nrx h ARG 484 Cb 0.19 -0.13 -0.02 0.00 -0.01 0.00 0.00 29.97 30.00 2nrx h ARG 484 CO 0.01 0.37 0.17 -0.44 -3.11 0.00 0.00 179.97 176.97 2nrx h ASP 485 N 0.57 0.68 -0.26 -3.80 3.32 0.53 -0.33 116.42 117.13 2nrx h ASP 485 Ca 0.27 -0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.12 2nrx h ASP 485 Cb 0.19 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 2nrx h ASP 485 CO -0.19 0.63 -0.25 -0.08 -1.72 0.00 0.00 179.24 177.63 2nrx h GLU 486 N 0.73 0.64 -0.40 3.56 4.57 -0.88 -0.32 114.58 122.48 2nrx h GLU 486 Ca 0.17 -0.33 0.05 0.00 -1.18 0.00 0.00 59.36 58.07 2nrx h GLU 486 Cb 0.19 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.74 2nrx h GLU 486 CO -0.01 0.93 0.12 1.15 -1.18 0.00 0.00 179.01 180.02 2nrx h THR 487 N 0.36 0.85 -0.47 0.32 2.02 -0.93 -1.44 112.91 113.62 2nrx h THR 487 Ca 0.04 -0.09 -0.09 0.00 0.77 0.00 0.00 66.41 67.04 2nrx h THR 487 Cb 0.81 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 2nrx h THR 487 CO 0.06 0.05 -0.04 -0.74 0.37 0.00 0.00 175.52 175.22 2nrx h HIS 488 N 0.27 0.95 -0.23 3.16 -0.00 -1.06 -0.56 115.15 117.68 2nrx h HIS 488 Ca 0.19 -0.18 0.02 0.00 -0.00 0.00 0.00 60.37 60.39 2nrx h HIS 488 Cb 0.19 -0.24 -0.02 0.00 -0.00 0.00 0.00 27.41 27.33 2nrx h HIS 488 CO -0.16 0.91 0.10 -0.09 -0.00 0.00 0.00 177.93 178.69 2nrx h ARG 489 N 0.71 0.21 -0.42 5.26 2.43 -0.82 0.10 114.38 121.85 2nrx h ARG 489 Ca 0.13 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2nrx h ARG 489 Cb 0.57 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 2nrx h ARG 489 CO 0.03 0.14 0.27 0.35 -1.51 0.00 0.00 179.97 179.25 2nrx h PHE 490 N 0.22 0.54 -0.28 2.20 3.57 -1.19 -1.21 116.94 120.79 2nrx h PHE 490 Ca 0.10 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.65 2nrx h PHE 490 Cb 0.04 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.56 2nrx h PHE 490 CO -0.11 0.36 -0.00 0.00 -2.23 0.00 0.00 178.31 176.33 2nrx h ALA 491 N 1.14 0.25 -0.32 2.41 0.00 -0.73 -2.61 119.26 119.40 2nrx h ALA 491 Ca 0.15 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 2nrx h ALA 491 Cb -0.04 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2nrx h ALA 491 CO -0.03 -0.41 -0.06 0.28 0.00 0.00 0.00 179.25 179.03 2nrx h VAL 492 N 0.08 1.21 -0.00 0.00 2.07 -0.67 -2.50 116.25 116.44 2nrx h VAL 492 Ca 0.14 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.77 2nrx h VAL 492 Cb 0.18 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2nrx h VAL 492 CO -0.23 0.30 0.00 0.77 0.02 0.00 0.00 177.57 178.43 2nrx h SER 493 N 0.48 0.00 -0.20 0.57 4.64 -0.82 -1.48 113.55 116.74 2nrx h SER 493 Ca 0.10 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.48 2nrx h SER 493 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2nrx h SER 493 CO 0.02 0.00 0.20 0.22 -0.87 0.00 0.00 176.83 176.40 2nrx h TYR 494 N 0.00 0.00 0.05 4.77 3.20 -1.44 -3.42 116.97 120.13 2nrx h TYR 494 Ca 0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2nrx h TYR 494 Cb 0.01 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.28 2nrx h TYR 494 CO 0.00 0.00 -0.02 0.45 -1.64 0.00 0.00 178.16 176.95 2nrx h HIS 495 N 0.00 -0.06 -4.18 -3.82 3.86 -1.47 -3.54 115.15 105.94 2nrx h HIS 495 Ca 0.10 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2nrx h HIS 495 Cb 0.49 0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.98 2nrx h HIS 495 CO 0.00 -0.04 -0.47 0.54 0.86 0.00 0.00 177.93 178.82 2nrx n ARG 496 N -2.92 -1.74 0.00 2.45 5.12 -1.26 -4.80 116.66 113.52 2nrx n ARG 496 Ca -0.01 1.65 0.00 0.00 -1.93 0.00 0.00 57.85 57.56 2nrx n ARG 496 Cb 0.03 -3.49 0.00 0.00 -1.16 0.00 0.00 32.46 27.83 2nrx n ARG 496 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2nrx n SER 503 N 0.17 0.00 -0.13 0.55 3.41 -1.26 -4.95 113.62 111.41 2nrx n SER 503 Ca 0.02 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.56 2nrx n SER 503 Cb 0.07 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.04 2nrx n SER 503 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2nrx h LEU 504 N 0.00 0.36 0.10 1.04 5.85 -1.93 -2.02 115.31 118.72 2nrx h LEU 504 Ca 0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2nrx h LEU 504 Cb 0.00 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2nrx h LEU 504 CO 0.00 0.26 -0.05 -0.09 -0.34 0.00 0.00 178.44 178.22 2nrx h ARG 505 N 0.46 -0.13 -0.62 1.25 1.12 -1.98 -1.76 114.38 112.72 2nrx h ARG 505 Ca 0.17 0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 59.01 2nrx h ARG 505 Cb 0.03 0.03 -0.03 0.00 -0.01 0.00 0.00 29.97 30.00 2nrx h ARG 505 CO -0.09 -0.07 0.23 0.66 -3.11 0.00 0.00 179.97 177.59 2nrx h SER 506 N -0.16 0.83 -0.55 -3.80 4.64 -1.98 0.97 113.55 113.51 2nrx h SER 506 Ca -0.01 -0.12 -0.06 0.00 -0.47 0.00 0.00 61.79 61.13 2nrx h SER 506 Cb 0.12 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 61.97 2nrx h SER 506 CO 0.02 0.76 0.10 0.58 -0.87 0.00 0.00 176.83 177.42 2nrx h VAL 507 N 0.89 1.25 -0.06 0.95 2.07 -1.28 -3.04 116.25 117.04 2nrx h VAL 507 Ca 0.21 -0.95 -0.15 0.00 0.82 0.00 0.00 66.70 66.63 2nrx h VAL 507 Cb 0.20 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2nrx h VAL 507 CO -0.02 0.35 -0.63 -0.07 0.02 0.00 0.00 177.57 177.22 2nrx h LEU 508 N 0.80 0.26 -2.57 2.57 3.38 -0.85 -2.05 115.31 116.84 2nrx h LEU 508 Ca 0.17 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2nrx h LEU 508 Cb 0.40 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2nrx h LEU 508 CO 0.01 0.83 0.00 0.44 0.09 0.00 0.00 178.44 179.80 2nrx h ASP 509 N 0.17 0.00 0.01 -0.43 3.32 -0.71 -2.16 116.42 116.61 2nrx h ASP 509 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2nrx h ASP 509 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2nrx h ASP 509 CO 0.10 0.00 -0.05 0.59 -1.72 0.00 0.00 179.24 178.16 2nrx n ASN 510 N -2.94 1.85 -4.63 6.45 3.02 -0.77 -4.90 115.26 113.34 2nrx n ASN 510 Ca -0.02 -1.56 -0.38 0.00 -0.03 0.00 0.00 54.58 52.59 2nrx n ASN 510 Cb 0.09 0.03 -0.10 0.00 -0.61 0.00 0.00 39.78 39.20 2nrx n ASN 510 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2nrx s VAL 511 N -2.07 5.29 0.07 2.41 0.11 -0.82 -4.43 120.40 120.97 2nrx s VAL 511 Ca 0.33 0.30 -0.32 0.00 -2.93 0.00 0.00 61.98 59.36 2nrx s VAL 511 Cb 0.20 -3.57 -0.11 0.00 -1.53 0.00 0.00 36.38 31.37 2nrx s VAL 511 CO 0.36 0.27 1.83 -2.65 -3.33 0.00 0.00 175.10 171.57 2nrx n PRO 512 N 4.77 2.58 -0.05 1.54 -0.02 -1.26 -2.57 135.00 139.99 2nrx n PRO 512 Ca -0.13 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 2nrx n PRO 512 Cb 0.52 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 2nrx n PRO 512 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nrx n GLY 513 N 4.20 0.67 3.21 -1.23 0.00 -1.26 -4.96 105.19 105.82 2nrx n GLY 513 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2nrx n GLY 513 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nrx s ILE 514 N -2.07 4.52 0.17 -0.61 1.01 -1.06 -5.00 121.20 118.16 2nrx s ILE 514 Ca 0.00 -2.37 -0.03 0.00 0.00 0.00 0.00 60.65 58.25 2nrx s ILE 514 Cb 0.00 -3.90 0.04 0.00 0.01 0.00 0.00 42.46 38.61 2nrx s ILE 514 CO 0.00 -0.89 0.24 0.61 0.00 0.00 0.00 174.94 174.89 2nrx n GLY 515 N 4.17 -1.05 0.23 6.18 0.00 -1.26 -4.75 105.19 108.70 2nrx n GLY 515 Ca 0.04 -1.70 -0.03 0.00 0.00 0.00 0.00 46.02 44.33 2nrx n GLY 515 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2nrx h PRO 516 N 0.00 0.58 0.26 1.61 0.13 -1.98 -0.88 132.00 131.72 2nrx h PRO 516 Ca -0.08 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 2nrx h PRO 516 Cb 0.21 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.21 2nrx h PRO 516 CO 0.06 0.39 -0.12 0.82 -0.23 0.00 0.00 178.00 178.91 2nrx h ILE 517 N 0.60 0.76 -0.58 -3.56 1.08 -2.00 -1.59 117.51 112.23 2nrx h ILE 517 Ca 0.26 -0.06 -0.09 0.00 -0.39 0.00 0.00 64.86 64.58 2nrx h ILE 517 Cb 0.15 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 34.68 2nrx h ILE 517 CO -0.17 0.01 0.00 0.03 -0.69 0.00 0.00 178.15 177.34 2nrx h ARG 518 N -0.37 1.03 -0.42 2.37 3.08 -1.93 -2.20 114.38 115.94 2nrx h ARG 518 Ca -0.04 -0.33 0.07 0.00 0.07 0.00 0.00 59.98 59.76 2nrx h ARG 518 Cb 0.29 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.18 2nrx h ARG 518 CO 0.06 1.02 0.04 0.87 -1.07 0.00 0.00 179.97 180.88 2nrx h LYS 519 N 0.92 0.15 -0.31 0.04 1.57 -1.09 -1.24 116.57 116.60 2nrx h LYS 519 Ca 0.17 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2nrx h LYS 519 Cb 0.55 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2nrx h LYS 519 CO 0.03 0.10 0.18 -0.22 -0.57 0.00 0.00 179.45 178.97 2nrx h LYS 520 N 0.15 0.42 -0.38 3.15 3.64 -1.11 -1.59 116.57 120.85 2nrx h LYS 520 Ca 0.21 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 2nrx h LYS 520 Cb 0.28 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 2nrx h LYS 520 CO -0.31 0.33 0.17 0.87 -2.27 0.00 0.00 179.45 178.24 2nrx h LYS 521 N 0.40 0.34 -0.81 1.90 1.57 -1.07 -0.14 116.57 118.75 2nrx h LYS 521 Ca 0.11 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2nrx h LYS 521 Cb 0.02 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 2nrx h LYS 521 CO -0.02 0.23 0.45 -0.07 -0.57 0.00 0.00 179.45 179.46 2nrx h LEU 522 N 0.35 1.01 -0.17 2.94 3.38 -1.00 -0.78 115.31 121.04 2nrx h LEU 522 Ca 0.17 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 2nrx h LEU 522 Cb 0.11 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2nrx h LEU 522 CO -0.14 0.81 -0.13 0.40 0.09 0.00 0.00 178.44 179.47 2nrx h ILE 523 N 1.12 1.33 -0.73 1.22 2.04 -1.00 -0.91 117.51 120.58 2nrx h ILE 523 Ca 0.29 -1.25 -0.04 0.00 1.00 0.00 0.00 64.86 64.85 2nrx h ILE 523 Cb 0.03 1.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 2nrx h ILE 523 CO -0.05 0.37 0.29 -0.33 0.00 0.00 0.00 178.15 178.44 2nrx h GLU 524 N 0.04 1.10 -0.05 2.37 5.08 -0.96 0.16 114.58 122.32 2nrx h GLU 524 Ca 0.03 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.16 2nrx h GLU 524 Cb 0.65 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 2nrx h GLU 524 CO 0.03 0.90 -0.07 1.25 -1.00 0.00 0.00 179.01 180.13 2nrx h HIS 525 N 1.06 0.16 0.03 4.33 2.76 -1.14 -3.39 115.15 118.96 2nrx h HIS 525 Ca 0.24 -0.05 -0.37 0.00 -2.20 0.00 0.00 60.37 57.99 2nrx h HIS 525 Cb 0.21 -0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.09 2nrx h HIS 525 CO 0.02 0.64 -2.29 1.19 -1.30 0.00 0.00 177.93 176.19 2nrx n PHE 526 N -4.71 0.40 0.00 5.26 3.72 -0.35 -5.00 117.46 116.78 2nrx n PHE 526 Ca -0.08 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2nrx n PHE 526 Cb 0.32 -1.06 0.00 0.00 -0.94 0.00 0.00 39.48 37.81 2nrx n PHE 526 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nrx n GLY 527 N 2.08 1.59 3.16 1.37 0.00 0.54 -4.67 105.19 109.27 2nrx n GLY 527 Ca -0.39 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 2nrx n GLY 527 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2nrx s SER 528 N 0.00 0.10 0.21 1.61 1.04 -1.26 -4.89 113.70 110.51 2nrx s SER 528 Ca 0.00 -0.49 -0.09 0.00 0.48 0.00 0.00 55.95 55.85 2nrx s SER 528 Cb 0.00 0.28 0.24 0.00 0.10 0.00 0.00 66.02 66.64 2nrx s SER 528 CO 0.00 -0.58 1.82 -0.07 0.98 0.00 0.00 173.24 175.39 2nrx h LEU 529 N 3.36 0.62 -0.61 2.42 3.38 -1.92 -2.34 115.31 120.23 2nrx h LEU 529 Ca -0.33 0.02 0.10 0.00 0.09 0.00 0.00 57.88 57.77 2nrx h LEU 529 Cb 1.19 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.76 2nrx h LEU 529 CO 0.51 0.41 0.20 -0.08 0.09 0.00 0.00 178.44 179.56 2nrx h GLU 530 N 0.75 0.35 -0.35 1.13 4.81 -1.96 -1.07 114.58 118.24 2nrx h GLU 530 Ca 0.30 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.40 2nrx h GLU 530 Cb 0.15 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2nrx h GLU 530 CO -0.16 0.23 -0.21 -0.91 -0.73 0.00 0.00 179.01 177.23 2nrx h ASN 531 N 0.36 0.78 -0.01 1.04 2.35 -1.72 -3.03 115.58 115.35 2nrx h ASN 531 Ca 0.31 -0.42 -0.15 0.00 -0.55 0.00 0.00 56.30 55.49 2nrx h ASN 531 Cb 0.41 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2nrx h ASN 531 CO -0.34 1.04 -0.49 -0.29 -1.65 0.00 0.00 177.43 175.70 2nrx h ILE 532 N 0.53 1.31 0.00 2.81 2.10 -1.08 -2.56 117.51 120.63 2nrx h ILE 532 Ca 0.07 -1.70 -0.02 0.00 1.08 0.00 0.00 64.86 64.30 2nrx h ILE 532 Cb 0.76 1.67 -0.00 0.00 -1.09 0.00 0.00 36.82 38.16 2nrx h ILE 532 CO 0.06 0.53 -0.08 0.03 -1.08 0.00 0.00 178.15 177.61 2nrx h ARG 533 N 0.45 0.00 0.00 2.19 3.08 -1.24 -1.52 114.38 117.34 2nrx h ARG 533 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2nrx h ARG 533 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 2nrx h ARG 533 CO 0.09 0.08 -0.04 -1.13 -1.07 0.00 0.00 179.97 177.90 2nrx n SER 534 N -3.50 0.20 -4.87 7.04 3.41 -0.97 -4.95 113.62 109.98 2nrx n SER 534 Ca -0.02 0.46 -0.32 0.00 -0.26 0.00 0.00 58.87 58.74 2nrx n SER 534 Cb 0.21 -0.50 -0.06 0.00 -0.26 0.00 0.00 64.21 63.60 2nrx n SER 534 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nrx s ALA 535 N -3.02 3.48 0.71 7.33 0.00 -0.57 -5.07 121.76 124.61 2nrx s ALA 535 Ca 0.13 -0.16 -0.11 0.00 0.00 0.00 0.00 51.96 51.82 2nrx s ALA 535 Cb 0.18 -2.55 0.02 0.00 0.00 0.00 0.00 23.12 20.76 2nrx s ALA 535 CO 0.56 0.44 1.07 -1.54 0.00 0.00 0.00 175.76 176.29 2nrx s SER 536 N -2.34 5.30 0.20 0.00 1.04 -1.26 -4.93 113.70 111.72 2nrx s SER 536 Ca 0.50 1.48 -0.13 0.00 0.48 0.00 0.00 55.95 58.27 2nrx s SER 536 Cb -0.11 -2.34 0.23 0.00 0.10 0.00 0.00 66.02 63.89 2nrx s SER 536 CO 0.20 -1.47 1.65 0.25 0.98 0.00 0.00 173.24 174.84 2nrx h LEU 537 N -0.74 -0.45 -0.89 2.42 6.46 -1.97 -2.55 115.31 117.59 2nrx h LEU 537 Ca -0.45 0.16 -0.06 0.00 -0.12 0.00 0.00 57.88 57.42 2nrx h LEU 537 Cb 1.22 0.33 -0.03 0.00 -0.73 0.00 0.00 40.66 41.45 2nrx h LEU 537 CO 0.59 -0.17 0.16 -0.33 -0.62 0.00 0.00 178.44 178.07 2nrx h GLU 538 N 0.03 0.98 -0.08 1.25 3.07 -1.98 0.30 114.58 118.16 2nrx h GLU 538 Ca 0.29 -0.21 -0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2nrx h GLU 538 Cb 0.45 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.21 2nrx h GLU 538 CO -0.56 0.87 0.03 1.49 -1.40 0.00 0.00 179.01 179.44 2nrx h GLU 539 N 0.94 0.11 -0.59 2.33 4.81 -1.91 -1.26 114.58 119.02 2nrx h GLU 539 Ca 0.20 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 2nrx h GLU 539 Cb 0.32 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 2nrx h GLU 539 CO -0.00 0.23 0.37 0.82 -0.73 0.00 0.00 179.01 179.70 2nrx h ILE 540 N -0.03 1.10 -0.99 2.32 2.04 -1.05 -1.69 117.51 119.20 2nrx h ILE 540 Ca 0.03 -0.25 0.07 0.00 1.00 0.00 0.00 64.86 65.71 2nrx h ILE 540 Cb 0.16 0.30 -0.07 0.00 -0.74 0.00 0.00 36.82 36.47 2nrx h ILE 540 CO -0.00 0.13 0.64 0.00 0.00 0.00 0.00 178.15 178.92 2nrx h ALA 541 N 1.24 1.39 -0.07 1.87 0.00 -0.89 -1.95 119.26 120.85 2nrx h ALA 541 Ca 0.23 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 2nrx h ALA 541 Cb -0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2nrx h ALA 541 CO -0.08 0.40 -0.49 0.00 0.00 0.00 0.00 179.25 179.08 2nrx h ARG 542 N 1.14 0.19 -0.37 0.00 3.08 -0.52 0.46 114.38 118.36 2nrx h ARG 542 Ca 0.44 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 60.32 2nrx h ARG 542 Cb 0.21 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2nrx h ARG 542 CO -0.19 0.64 -0.03 0.28 -1.07 0.00 0.00 179.97 179.60 2nrx h VAL 543 N 0.15 1.27 -0.01 2.04 2.07 -0.61 -3.32 116.25 117.84 2nrx h VAL 543 Ca 0.01 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.47 2nrx h VAL 543 Cb 0.93 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2nrx h VAL 543 CO 0.07 0.35 -0.49 2.30 0.02 0.00 0.00 177.57 179.83 2nrx n ILE 544 N -4.44 0.00 -1.89 4.57 -5.35 -0.84 -4.87 119.36 106.54 2nrx n ILE 544 Ca -0.02 -0.26 -0.09 0.00 -0.27 0.00 0.00 62.75 62.11 2nrx n ILE 544 Cb 0.31 1.17 -0.02 0.00 -1.74 0.00 0.00 39.64 39.36 2nrx n ILE 544 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2nrx n GLY 545 N 1.30 0.35 3.35 3.28 0.00 0.16 -5.00 105.19 108.62 2nrx n GLY 545 Ca 0.07 -0.53 -0.08 0.00 0.00 0.00 0.00 46.02 45.49 2nrx n GLY 545 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2nrx s SER 546 N -2.68 -0.47 0.14 1.61 0.15 -0.96 -5.03 113.70 106.45 2nrx s SER 546 Ca 0.00 1.10 -0.15 0.00 0.70 0.00 0.00 55.95 57.59 2nrx s SER 546 Cb 0.00 1.41 0.00 0.00 -1.71 0.00 0.00 66.02 65.72 2nrx s SER 546 CO 0.00 -0.22 1.67 0.74 1.20 0.00 0.00 173.24 176.63 2nrx h THR 547 N 5.98 1.21 -0.61 6.45 2.02 -1.94 -2.47 112.91 123.55 2nrx h THR 547 Ca -0.20 -0.66 -0.09 0.00 0.77 0.00 0.00 66.41 66.22 2nrx h THR 547 Cb 1.13 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 2nrx h THR 547 CO 0.15 0.24 0.02 -0.08 0.37 0.00 0.00 175.52 176.22 2nrx h GLU 548 N 0.54 1.06 -0.38 6.66 4.81 -1.99 0.02 114.58 125.30 2nrx h GLU 548 Ca 0.14 -0.33 -0.14 0.00 -0.13 0.00 0.00 59.36 58.90 2nrx h GLU 548 Cb 0.22 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2nrx h GLU 548 CO -0.01 1.03 -0.33 0.82 -0.73 0.00 0.00 179.01 179.79 2nrx h ILE 549 N 0.97 1.28 -0.89 2.32 2.04 -1.94 -2.37 117.51 118.92 2nrx h ILE 549 Ca 0.18 -1.49 0.10 0.00 1.00 0.00 0.00 64.86 64.65 2nrx h ILE 549 Cb 0.53 1.37 -0.08 0.00 -0.74 0.00 0.00 36.82 37.90 2nrx h ILE 549 CO 0.03 0.50 0.53 0.00 0.00 0.00 0.00 178.15 179.21 2nrx h ALA 550 N 0.78 1.30 -0.66 1.87 0.00 -1.16 0.50 119.26 121.89 2nrx h ALA 550 Ca 0.07 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2nrx h ALA 550 Cb 0.91 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2nrx h ALA 550 CO 0.08 0.15 0.40 0.00 0.00 0.00 0.00 179.25 179.88 2nrx h ARG 551 N 0.87 0.75 -0.77 0.00 3.08 -0.71 -0.95 114.38 116.64 2nrx h ARG 551 Ca 0.43 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.39 2nrx h ARG 551 Cb 0.41 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 2nrx h ARG 551 CO -0.26 0.49 0.30 0.00 -1.07 0.00 0.00 179.97 179.44 2nrx h ARG 552 N 0.77 1.16 0.02 0.04 3.08 -0.71 0.11 114.38 118.84 2nrx h ARG 552 Ca 0.27 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 2nrx h ARG 552 Cb 0.06 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.92 2nrx h ARG 552 CO -0.12 0.94 -0.01 0.28 -1.07 0.00 0.00 179.97 179.99 2nrx h VAL 553 N 1.13 1.02 -0.30 2.04 2.07 -0.66 -0.59 116.25 120.95 2nrx h VAL 553 Ca 0.26 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.71 2nrx h VAL 553 Cb 0.23 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 2nrx h VAL 553 CO -0.02 0.03 -0.08 -0.07 0.02 0.00 0.00 177.57 177.45 2nrx h LEU 554 N -0.08 -0.31 -0.11 2.57 3.38 -0.91 0.67 115.31 120.53 2nrx h LEU 554 Ca -0.00 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2nrx h LEU 554 Cb 0.07 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 2nrx h LEU 554 CO 0.00 -0.11 -0.10 0.44 0.09 0.00 0.00 178.44 178.76 2nrx h ASP 555 N -0.01 -0.32 -0.13 -0.43 5.19 -0.61 -2.70 116.42 117.42 2nrx h ASP 555 Ca 0.15 0.06 -0.11 0.00 -0.62 0.00 0.00 57.03 56.51 2nrx h ASP 555 Cb 0.24 0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.89 2nrx h ASP 555 CO -0.32 -0.14 -0.27 0.40 -3.12 0.00 0.00 179.24 175.79 2nrx h ILE 556 N -0.12 1.27 0.00 0.35 2.04 -0.77 -3.51 117.51 116.78 2nrx h ILE 556 Ca 0.08 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.59 2nrx h ILE 556 Cb 0.23 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2nrx h ILE 556 CO -0.18 0.43 0.00 0.18 0.00 0.00 0.00 178.15 178.58