#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ade s ARG 326 N 0.00 2.43 0.15 1.61 0.52 -1.26 -4.09 118.95 118.31 3ade s ARG 326 Ca 0.00 -1.56 0.02 0.00 -0.52 0.00 0.00 55.73 53.67 3ade s ARG 326 Cb 0.00 -2.65 -0.04 0.00 0.52 0.00 0.00 34.95 32.77 3ade s ARG 326 CO 0.00 -0.71 -0.02 -0.51 0.02 0.00 0.00 175.30 174.08 3ade s LEU 327 N -4.58 2.24 -0.33 2.53 1.43 0.28 -4.72 118.68 115.53 3ade s LEU 327 Ca 0.59 -1.12 -0.11 0.00 -1.03 0.00 0.00 54.13 52.46 3ade s LEU 327 Cb -0.07 -0.08 -0.00 0.00 0.03 0.00 0.00 46.19 46.07 3ade s LEU 327 CO 0.37 -0.53 0.19 -0.63 0.23 0.00 0.00 176.35 175.98 3ade s ILE 328 N -3.63 4.82 -0.08 -0.59 1.01 -0.22 -2.38 121.20 120.14 3ade s ILE 328 Ca 0.20 -0.44 -0.10 0.00 0.00 0.00 0.00 60.65 60.32 3ade s ILE 328 Cb 0.06 -3.51 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 3ade s ILE 328 CO 0.02 -0.02 0.23 -0.31 0.00 0.00 0.00 174.94 174.86 3ade s TYR 329 N 1.64 3.63 -0.15 3.97 1.51 0.11 -0.07 117.35 127.99 3ade s TYR 329 Ca 0.05 0.68 -0.00 0.00 -1.01 0.00 0.00 57.07 56.78 3ade s TYR 329 Cb -0.18 -2.07 0.03 0.00 -0.11 0.00 0.00 41.96 39.64 3ade s TYR 329 CO 0.08 0.68 -0.09 -0.08 -1.11 0.00 0.00 175.55 175.03 3ade s THR 330 N -0.97 1.25 -0.07 -0.71 -1.32 0.69 -1.62 115.64 112.89 3ade s THR 330 Ca 0.18 -0.56 0.03 0.00 -1.21 0.00 0.00 61.69 60.13 3ade s THR 330 Cb -0.14 -1.30 -0.02 0.00 -1.51 0.00 0.00 72.50 69.54 3ade s THR 330 CO 0.07 0.29 -0.14 0.00 -2.21 0.00 0.00 174.62 172.62 3ade s ALA 331 N 1.60 2.64 0.00 11.08 0.00 -0.15 -1.27 121.76 135.67 3ade s ALA 331 Ca 0.03 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.03 3ade s ALA 331 Cb -0.14 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 21.97 3ade s ALA 331 CO -0.09 0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.57 3ade n GLY 332 N 2.58 1.41 0.00 0.00 0.00 0.15 -1.80 105.19 107.53 3ade n GLY 332 Ca -0.17 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.25 3ade n GLY 332 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ade n GLY 333 N 0.00 0.56 2.79 -0.02 0.00 -0.62 -4.59 105.19 103.30 3ade n GLY 333 Ca 0.00 -2.31 -0.16 0.00 0.00 0.00 0.00 46.02 43.56 3ade n GLY 333 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ade s TYR 334 N -0.53 -0.02 -0.28 1.61 5.04 0.99 -0.27 117.35 123.89 3ade s TYR 334 Ca 0.00 0.26 -0.00 0.00 -2.44 0.00 0.00 57.07 54.89 3ade s TYR 334 Cb 0.00 -0.26 0.18 0.00 0.35 0.00 0.00 41.96 42.23 3ade s TYR 334 CO 0.00 -0.14 0.53 0.12 -1.34 0.00 0.00 175.55 174.72 3ade s PHE 335 N 1.39 -1.42 0.00 4.97 5.36 -1.26 -1.34 117.98 125.68 3ade s PHE 335 Ca -0.06 1.29 0.00 0.00 -0.96 0.00 0.00 56.93 57.21 3ade s PHE 335 Cb -0.12 0.34 0.00 0.00 -0.34 0.00 0.00 43.02 42.90 3ade s PHE 335 CO -0.04 -0.89 0.00 0.54 -1.46 0.00 0.00 175.22 173.38 3ade n ARG 336 N 5.41 0.00 -3.57 10.12 1.74 -1.26 -4.76 116.66 124.34 3ade n ARG 336 Ca -0.01 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 3ade n ARG 336 Cb 0.51 -0.81 -0.02 0.00 -1.02 0.00 0.00 32.46 31.12 3ade n ARG 336 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 3ade s GLN 337 N 0.00 0.59 0.33 5.56 -2.07 -1.26 -4.97 119.66 117.85 3ade s GLN 337 Ca 0.00 -0.24 -0.29 0.00 -1.82 0.00 0.00 55.36 53.01 3ade s GLN 337 Cb 0.00 0.26 -0.12 0.00 -1.09 0.00 0.00 33.01 32.06 3ade s GLN 337 CO 0.00 -0.26 1.46 0.43 -1.32 0.00 0.00 175.29 175.60 3ade n SER 338 N -0.21 3.47 -4.72 12.60 7.64 -0.82 -4.54 113.62 127.03 3ade n SER 338 Ca -0.05 1.19 -0.25 0.00 1.01 0.00 0.00 58.87 60.78 3ade n SER 338 Cb 0.60 -1.56 -0.06 0.00 -1.01 0.00 0.00 64.21 62.17 3ade n SER 338 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ade s LEU 339 N -1.20 3.51 -0.20 -3.43 1.43 0.62 -4.64 118.68 114.76 3ade s LEU 339 Ca 0.58 -0.34 0.15 0.00 -1.03 0.00 0.00 54.13 53.48 3ade s LEU 339 Cb -0.52 -2.11 0.46 0.00 0.03 0.00 0.00 46.19 44.05 3ade s LEU 339 CO 0.58 0.05 1.35 -1.54 0.23 0.00 0.00 176.35 177.02 3ade n SER 340 N -0.50 2.95 -4.77 2.29 3.41 -1.26 -2.68 113.62 113.06 3ade n SER 340 Ca -0.08 -3.31 -0.40 0.00 -0.26 0.00 0.00 58.87 54.81 3ade n SER 340 Cb 0.56 -0.54 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 3ade n SER 340 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 3ade s TYR 341 N -2.99 3.09 -0.29 7.33 4.12 -1.26 -0.22 117.35 127.12 3ade s TYR 341 Ca 0.40 1.45 0.00 0.00 0.02 0.00 0.00 57.07 58.94 3ade s TYR 341 Cb 0.35 -3.63 0.09 0.00 -1.52 0.00 0.00 41.96 37.24 3ade s TYR 341 CO 0.04 -1.72 0.05 -1.17 0.02 0.00 0.00 175.55 172.76 3ade s LEU 342 N -1.82 2.80 0.15 -1.29 2.96 -1.26 0.31 118.68 120.52 3ade s LEU 342 Ca 0.49 -1.59 0.11 0.00 -0.22 0.00 0.00 54.13 52.92 3ade s LEU 342 Cb -0.39 -1.09 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 3ade s LEU 342 CO 0.51 -0.36 -0.25 -1.61 -1.32 0.00 0.00 176.35 173.32 3ade s GLU 343 N 1.42 1.40 -0.01 1.98 2.02 -0.40 0.26 118.70 125.38 3ade s GLU 343 Ca 0.06 -1.39 0.04 0.00 0.02 0.00 0.00 54.97 53.70 3ade s GLU 343 Cb -0.18 -1.82 -0.01 0.00 0.10 0.00 0.00 34.13 32.22 3ade s GLU 343 CO -0.16 0.42 -0.14 0.00 0.02 0.00 0.00 175.26 175.40 3ade s ALA 344 N -1.28 1.15 -0.07 5.21 0.00 0.47 -0.22 121.76 127.03 3ade s ALA 344 Ca 0.15 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.53 3ade s ALA 344 Cb -0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 3ade s ALA 344 CO 0.07 0.28 -0.13 -0.47 0.00 0.00 0.00 175.76 175.50 3ade s TYR 345 N -0.36 2.74 -0.34 0.00 5.04 0.90 -0.57 117.35 124.76 3ade s TYR 345 Ca 0.05 -0.22 -0.05 0.00 -2.44 0.00 0.00 57.07 54.41 3ade s TYR 345 Cb -0.06 -1.68 0.05 0.00 0.35 0.00 0.00 41.96 40.63 3ade s TYR 345 CO -0.00 0.13 0.10 1.21 -1.34 0.00 0.00 175.55 175.64 3ade s ASN 346 N -0.54 5.22 0.65 4.32 3.84 -0.55 -1.05 114.94 126.82 3ade s ASN 346 Ca 0.08 -1.28 0.43 0.00 0.21 0.00 0.00 52.86 52.29 3ade s ASN 346 Cb -0.12 -1.83 2.27 0.00 -0.55 0.00 0.00 41.25 41.03 3ade s ASN 346 CO 0.01 -0.34 2.32 -0.65 -2.79 0.00 0.00 177.10 175.65 3ade h PRO 347 N 8.16 0.00 -0.23 0.43 0.11 -1.88 0.20 132.00 138.79 3ade h PRO 347 Ca -0.22 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.73 3ade h PRO 347 Cb 1.07 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3ade h PRO 347 CO 0.60 0.00 -0.51 0.77 -0.21 0.00 0.00 178.00 178.65 3ade h SER 348 N 0.00 0.73 0.00 -2.05 0.02 -1.93 -3.35 113.55 106.97 3ade h SER 348 Ca -0.00 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 3ade h SER 348 Cb 0.07 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.40 3ade h SER 348 CO 0.00 1.11 0.00 -0.46 -1.14 0.00 0.00 176.83 176.34 3ade n ASN 349 N -3.99 0.92 -0.90 3.07 0.23 -1.08 -5.02 115.26 108.50 3ade n ASN 349 Ca -0.03 -1.29 -0.12 0.00 -0.53 0.00 0.00 54.58 52.61 3ade n ASN 349 Cb 0.59 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.24 3ade n ASN 349 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ade n GLY 350 N -0.14 1.22 3.97 4.83 0.00 0.69 -5.00 105.19 110.75 3ade n GLY 350 Ca 0.00 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 3ade n GLY 350 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ade s SER 351 N -2.62 6.03 0.29 1.61 1.04 -1.23 -4.87 113.70 113.95 3ade s SER 351 Ca 0.00 0.09 0.11 0.00 0.48 0.00 0.00 55.95 56.64 3ade s SER 351 Cb 0.00 -1.54 -0.05 0.00 0.10 0.00 0.00 66.02 64.53 3ade s SER 351 CO 0.00 -0.44 -0.17 0.26 0.98 0.00 0.00 173.24 173.87 3ade s TRP 352 N -2.28 2.34 -0.03 5.02 0.52 -1.26 -1.49 118.94 121.77 3ade s TRP 352 Ca 0.44 -0.34 -0.01 0.00 0.02 0.00 0.00 56.10 56.21 3ade s TRP 352 Cb -0.10 -1.05 0.03 0.00 -1.15 0.00 0.00 33.47 31.20 3ade s TRP 352 CO 0.34 0.69 0.05 -0.51 0.02 0.00 0.00 176.95 177.54 3ade s LEU 353 N -3.54 1.20 -0.10 2.99 1.43 0.26 -4.95 118.68 115.97 3ade s LEU 353 Ca 0.30 0.10 -0.15 0.00 -1.03 0.00 0.00 54.13 53.36 3ade s LEU 353 Cb -0.04 0.06 -0.05 0.00 0.03 0.00 0.00 46.19 46.19 3ade s LEU 353 CO 0.16 -0.10 0.36 -0.60 0.23 0.00 0.00 176.35 176.39 3ade s ARG 354 N 0.84 4.14 0.47 1.70 3.52 -1.26 -0.39 118.95 127.96 3ade s ARG 354 Ca -0.07 0.26 0.00 0.00 -0.13 0.00 0.00 55.73 55.79 3ade s ARG 354 Cb -0.10 -3.36 -0.00 0.00 -1.56 0.00 0.00 34.95 29.93 3ade s ARG 354 CO -0.03 0.37 0.01 1.28 -0.81 0.00 0.00 175.30 176.12 3ade n LEU 355 N 3.05 0.00 -4.66 -0.88 4.77 0.14 -5.00 117.00 114.42 3ade n LEU 355 Ca -0.12 -2.94 -0.57 0.00 -0.03 0.00 0.00 56.01 52.35 3ade n LEU 355 Cb 0.52 0.36 -0.07 0.00 -2.33 0.00 0.00 43.42 41.89 3ade n LEU 355 CO 0.40 -0.42 1.12 0.00 -1.33 0.00 0.00 177.39 177.15 3ade n ALA 356 N -1.50 -0.87 -1.11 -1.18 0.00 -1.26 -4.34 120.51 110.26 3ade n ALA 356 Ca -0.19 0.46 -0.31 0.00 0.00 0.00 0.00 53.44 53.40 3ade n ALA 356 Cb 0.59 -2.10 0.12 0.00 0.00 0.00 0.00 19.45 18.06 3ade n ALA 356 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ade s ASP 357 N 2.30 3.85 0.41 0.00 1.01 -1.26 -4.49 116.67 118.49 3ade s ASP 357 Ca 0.95 1.82 -0.25 0.00 0.71 0.00 0.00 52.55 55.78 3ade s ASP 357 Cb -1.11 -2.45 -0.08 0.00 1.01 0.00 0.00 42.92 40.28 3ade s ASP 357 CO 0.62 -2.45 1.20 -0.76 0.21 0.00 0.00 175.17 173.98 3ade s LEU 358 N -6.17 4.18 0.25 1.23 1.43 0.69 -4.88 118.68 115.42 3ade s LEU 358 Ca 0.63 2.42 -0.03 0.00 -1.03 0.00 0.00 54.13 56.11 3ade s LEU 358 Cb -0.19 -4.01 0.42 0.00 0.03 0.00 0.00 46.19 42.44 3ade s LEU 358 CO 0.57 -0.74 1.83 -0.61 0.23 0.00 0.00 176.35 177.62 3ade h GLN 359 N 2.59 0.86 -4.88 1.70 4.15 -1.93 -3.41 115.11 114.19 3ade h GLN 359 Ca -0.49 -0.05 -0.49 0.00 0.77 0.00 0.00 58.65 58.38 3ade h GLN 359 Cb 1.24 -0.19 -0.31 0.00 0.21 0.00 0.00 27.48 28.42 3ade h GLN 359 CO 0.62 0.57 -0.81 0.08 -1.93 0.00 0.00 178.83 177.36 3ade s VAL 360 N -6.02 1.10 0.46 2.39 1.01 -1.26 -5.13 120.40 112.94 3ade s VAL 360 Ca -0.12 -0.52 -0.25 0.00 0.00 0.00 0.00 61.98 61.09 3ade s VAL 360 Cb 0.20 -0.96 -0.08 0.00 0.00 0.00 0.00 36.38 35.54 3ade s VAL 360 CO 0.79 0.33 1.40 -2.84 0.00 0.00 0.00 175.10 174.78 3ade s PRO 361 N 0.19 3.64 -0.14 2.72 0.02 -1.26 -4.85 135.00 135.32 3ade s PRO 361 Ca -0.05 2.37 -0.30 0.00 0.02 0.00 0.00 61.00 63.04 3ade s PRO 361 Cb -0.11 -2.61 0.11 0.00 0.02 0.00 0.00 34.50 31.91 3ade s PRO 361 CO 0.02 -0.83 0.89 -0.98 -0.33 0.00 0.00 177.00 175.77 3ade s ARG 362 N -2.49 0.74 0.19 5.54 1.70 -1.09 -4.13 118.95 119.40 3ade s ARG 362 Ca 0.62 0.24 0.00 0.00 -0.47 0.00 0.00 55.73 56.12 3ade s ARG 362 Cb -0.43 0.35 -0.04 0.00 -0.57 0.00 0.00 34.95 34.26 3ade s ARG 362 CO 0.54 -0.22 0.08 -1.54 -1.08 0.00 0.00 175.30 173.09 3ade s SER 363 N -1.00 0.64 -0.51 -2.89 1.04 0.77 -1.59 113.70 110.16 3ade s SER 363 Ca -0.04 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.08 3ade s SER 363 Cb -0.01 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.37 3ade s SER 363 CO 0.04 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.13 3ade n GLY 364 N -0.27 0.69 3.97 7.32 0.00 -0.91 0.94 105.19 116.93 3ade n GLY 364 Ca -0.02 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 3ade n GLY 364 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3ade s LEU 365 N -1.10 3.04 0.04 0.99 2.34 -1.26 -1.05 118.68 121.67 3ade s LEU 365 Ca 0.00 -0.02 0.05 0.00 0.06 0.00 0.00 54.13 54.22 3ade s LEU 365 Cb 0.00 -2.58 -0.02 0.00 -0.56 0.00 0.00 46.19 43.03 3ade s LEU 365 CO 0.00 -1.58 -0.15 0.00 -1.06 0.00 0.00 176.35 173.56 3ade s ALA 366 N -3.06 1.24 0.36 1.48 0.00 -0.67 -3.97 121.76 117.15 3ade s ALA 366 Ca 0.62 -0.86 0.08 0.00 0.00 0.00 0.00 51.96 51.80 3ade s ALA 366 Cb -0.08 -0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 3ade s ALA 366 CO 0.43 0.24 0.06 0.20 0.00 0.00 0.00 175.76 176.69 3ade s GLY 367 N -1.16 2.15 -0.15 0.00 0.00 -1.26 -0.43 107.32 106.47 3ade s GLY 367 Ca 0.02 -2.01 -0.34 0.00 0.00 0.00 0.00 44.72 42.39 3ade s GLY 367 CO 0.01 -1.90 1.17 0.00 0.00 0.00 0.00 173.10 172.38 3ade s VAL 369 N -2.52 1.93 -0.03 0.00 1.01 -1.26 -0.68 120.40 118.85 3ade s VAL 369 Ca 0.09 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 3ade s VAL 369 Cb -0.01 -1.64 0.03 0.00 0.00 0.00 0.00 36.38 34.77 3ade s VAL 369 CO -0.05 0.54 0.06 -0.69 0.00 0.00 0.00 175.10 174.96 3ade s VAL 370 N -0.18 -0.08 -1.55 2.92 1.01 -0.42 -4.85 120.40 117.23 3ade s VAL 370 Ca -0.02 0.29 -0.14 0.00 0.00 0.00 0.00 61.98 62.11 3ade s VAL 370 Cb -0.13 -0.13 0.09 0.00 0.00 0.00 0.00 36.38 36.22 3ade s VAL 370 CO 0.03 0.12 0.96 0.61 0.00 0.00 0.00 175.10 176.81 3ade n GLY 371 N 4.58 -0.49 3.32 4.51 0.00 -1.26 -1.08 105.19 114.78 3ade n GLY 371 Ca -0.19 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3ade n GLY 371 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ade n GLY 372 N -1.66 2.86 3.87 -0.02 0.00 -1.26 -5.01 105.19 103.97 3ade n GLY 372 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3ade n GLY 372 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ade s LEU 373 N 0.00 4.27 -0.11 0.99 1.43 -0.24 -4.70 118.68 120.32 3ade s LEU 373 Ca 0.00 0.82 -0.14 0.00 -1.03 0.00 0.00 54.13 53.78 3ade s LEU 373 Cb 0.00 -3.32 -0.05 0.00 0.03 0.00 0.00 46.19 42.86 3ade s LEU 373 CO 0.00 0.06 0.33 -0.22 0.23 0.00 0.00 176.35 176.75 3ade s LEU 374 N -2.38 4.33 -0.10 1.79 2.96 -0.86 -1.30 118.68 123.11 3ade s LEU 374 Ca 0.40 0.67 0.04 0.00 -0.22 0.00 0.00 54.13 55.02 3ade s LEU 374 Cb -0.13 -2.44 0.00 0.00 0.50 0.00 0.00 46.19 44.12 3ade s LEU 374 CO 0.21 0.18 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.87 3ade s TYR 375 N -0.10 2.56 -0.26 5.38 2.02 0.14 -0.15 117.35 126.94 3ade s TYR 375 Ca 0.20 -1.07 -0.09 0.00 -0.37 0.00 0.00 57.07 55.74 3ade s TYR 375 Cb -0.14 -1.71 -0.03 0.00 -0.40 0.00 0.00 41.96 39.67 3ade s TYR 375 CO 0.07 -0.43 0.11 0.00 -1.57 0.00 0.00 175.55 173.73 3ade s ALA 376 N 0.38 3.27 -0.06 3.71 0.00 -0.19 -2.36 121.76 126.52 3ade s ALA 376 Ca -0.18 -1.14 0.05 0.00 0.00 0.00 0.00 51.96 50.69 3ade s ALA 376 Cb -0.18 -2.22 -0.02 0.00 0.00 0.00 0.00 23.12 20.71 3ade s ALA 376 CO 0.08 -0.54 -0.20 0.08 0.00 0.00 0.00 175.76 175.18 3ade s VAL 377 N 1.66 2.49 0.00 0.00 1.01 0.43 -1.77 120.40 124.21 3ade s VAL 377 Ca 0.06 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.13 3ade s VAL 377 Cb -0.15 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.28 3ade s VAL 377 CO 0.06 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.34 3ade n GLY 378 N 2.80 1.67 0.49 4.51 0.00 -0.56 -1.66 105.19 112.44 3ade n GLY 378 Ca -0.17 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3ade n GLY 378 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ade n GLY 379 N 0.00 -1.17 3.43 -0.02 0.00 0.18 -4.52 105.19 103.10 3ade n GLY 379 Ca 0.00 -1.89 -0.16 0.00 0.00 0.00 0.00 46.02 43.97 3ade n GLY 379 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ade s ARG 380 N 0.00 0.93 -0.71 1.61 3.52 0.27 -1.23 118.95 123.34 3ade s ARG 380 Ca 0.00 0.12 -0.10 0.00 -0.13 0.00 0.00 55.73 55.62 3ade s ARG 380 Cb 0.00 0.43 0.19 0.00 -1.56 0.00 0.00 34.95 34.01 3ade s ARG 380 CO 0.00 -0.28 0.61 1.21 -0.81 0.00 0.00 175.30 176.03 3ade s ASN 381 N -1.22 6.14 -1.06 -2.12 2.47 -0.84 -0.16 114.94 118.15 3ade s ASN 381 Ca -0.12 -2.61 -0.18 0.00 0.42 0.00 0.00 52.86 50.37 3ade s ASN 381 Cb -0.02 -2.08 0.12 0.00 -1.45 0.00 0.00 41.25 37.83 3ade s ASN 381 CO 0.08 -0.54 1.33 0.21 -3.72 0.00 0.00 177.10 174.46 3ade s ASN 382 N 1.84 6.75 0.55 -4.21 3.84 -1.26 -2.72 114.94 119.72 3ade s ASN 382 Ca 0.15 -2.25 0.03 0.00 0.21 0.00 0.00 52.86 51.00 3ade s ASN 382 Cb -0.16 -2.45 0.03 0.00 -0.55 0.00 0.00 41.25 38.12 3ade s ASN 382 CO -0.06 -1.06 0.25 -0.94 -2.79 0.00 0.00 177.10 172.50 3ade s SER 383 N 3.69 4.43 0.28 -4.21 1.04 -1.23 -1.95 113.70 115.75 3ade s SER 383 Ca 0.40 -1.46 0.04 0.00 0.48 0.00 0.00 55.95 55.41 3ade s SER 383 Cb -0.03 0.60 0.40 0.00 0.10 0.00 0.00 66.02 67.09 3ade s SER 383 CO -0.05 -1.07 1.68 1.55 0.98 0.00 0.00 173.24 176.33 3ade h PRO 384 N 0.94 0.33 0.00 4.02 0.13 -1.94 -2.20 132.00 133.28 3ade h PRO 384 Ca -0.39 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 3ade h PRO 384 Cb 1.32 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3ade h PRO 384 CO 0.63 0.68 0.00 -0.25 -0.23 0.00 0.00 178.00 178.83 3ade n ASP 385 N -4.03 0.00 0.00 1.44 10.43 -1.26 -4.96 116.55 118.16 3ade n ASP 385 Ca -0.01 -0.75 0.00 0.00 2.57 0.00 0.00 54.79 56.60 3ade n ASP 385 Cb 0.48 -0.01 0.00 0.00 1.84 0.00 0.00 41.12 43.43 3ade n ASP 385 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ade n GLY 386 N 0.57 3.19 3.77 0.44 0.00 -0.83 -5.08 105.19 107.24 3ade n GLY 386 Ca 0.18 -1.86 -0.39 0.00 0.00 0.00 0.00 46.02 43.96 3ade n GLY 386 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ade s ASN 387 N 0.00 6.89 -0.32 1.61 0.01 -1.26 -3.47 114.94 118.41 3ade s ASN 387 Ca 0.00 2.33 0.02 0.00 -0.71 0.00 0.00 52.86 54.50 3ade s ASN 387 Cb 0.00 -2.62 0.16 0.00 0.41 0.00 0.00 41.25 39.20 3ade s ASN 387 CO 0.00 -0.41 0.40 -0.89 -1.51 0.00 0.00 177.10 174.69 3ade s THR 388 N -1.30 -0.55 0.39 1.60 2.01 -1.10 -4.98 115.64 111.70 3ade s THR 388 Ca 0.51 -0.48 -0.27 0.00 0.31 0.00 0.00 61.69 61.76 3ade s THR 388 Cb -0.31 -0.84 -0.10 0.00 0.01 0.00 0.00 72.50 71.26 3ade s THR 388 CO 0.40 -0.37 1.40 -1.81 -0.69 0.00 0.00 174.62 173.56 3ade s ASP 389 N 2.19 6.31 -0.07 3.53 1.01 -1.26 -1.99 116.67 126.38 3ade s ASP 389 Ca 0.12 2.87 -0.02 0.00 0.71 0.00 0.00 52.55 56.24 3ade s ASP 389 Cb -0.13 -2.66 -0.03 0.00 1.01 0.00 0.00 42.92 41.11 3ade s ASP 389 CO -0.22 -0.87 0.02 -0.55 0.21 0.00 0.00 175.17 173.75 3ade s SER 390 N -0.41 5.38 -0.11 0.27 0.15 -0.37 -4.84 113.70 113.77 3ade s SER 390 Ca 0.55 0.16 0.15 0.00 0.70 0.00 0.00 55.95 57.50 3ade s SER 390 Cb -0.43 -1.53 0.33 0.00 -1.71 0.00 0.00 66.02 62.68 3ade s SER 390 CO 0.57 0.36 1.23 -1.54 1.20 0.00 0.00 173.24 175.06 3ade n SER 391 N 1.94 2.89 -4.85 5.45 3.41 -1.26 -1.34 113.62 119.86 3ade n SER 391 Ca -0.18 -2.78 -0.32 0.00 -0.26 0.00 0.00 58.87 55.33 3ade n SER 391 Cb 0.54 -0.38 -0.05 0.00 -0.26 0.00 0.00 64.21 64.05 3ade n SER 391 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ade s ALA 392 N -2.37 3.23 -0.08 7.33 0.00 -1.26 -0.38 121.76 128.23 3ade s ALA 392 Ca 0.30 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.34 3ade s ALA 392 Cb 0.24 -2.88 0.02 0.00 0.00 0.00 0.00 23.12 20.50 3ade s ALA 392 CO 0.06 0.14 -0.05 -1.17 0.00 0.00 0.00 175.76 174.74 3ade s LEU 393 N -3.36 1.10 0.01 0.00 2.96 -1.26 -1.50 118.68 116.62 3ade s LEU 393 Ca 0.56 -0.19 0.04 0.00 -0.22 0.00 0.00 54.13 54.32 3ade s LEU 393 Cb -0.10 -0.62 -0.01 0.00 0.50 0.00 0.00 46.19 45.96 3ade s LEU 393 CO 0.21 -0.11 -0.13 -1.81 -1.32 0.00 0.00 176.35 173.20 3ade s ASP 394 N 1.45 1.52 -0.10 3.68 1.01 -0.73 -0.32 116.67 123.19 3ade s ASP 394 Ca -0.02 -0.30 -0.02 0.00 0.71 0.00 0.00 52.55 52.92 3ade s ASP 394 Cb -0.13 -0.14 -0.03 0.00 1.01 0.00 0.00 42.92 43.62 3ade s ASP 394 CO -0.04 0.11 0.00 0.00 0.21 0.00 0.00 175.17 175.46 3ade s TYR 396 N -0.73 2.76 -0.40 0.00 5.04 0.79 0.33 117.35 125.14 3ade s TYR 396 Ca 0.11 -1.35 -0.13 0.00 -2.44 0.00 0.00 57.07 53.27 3ade s TYR 396 Cb -0.12 -1.89 0.03 0.00 0.35 0.00 0.00 41.96 40.33 3ade s TYR 396 CO 0.02 -0.64 0.25 1.21 -1.34 0.00 0.00 175.55 175.05 3ade s ASN 397 N 1.03 5.89 0.55 4.32 3.84 -1.01 -2.02 114.94 127.54 3ade s ASN 397 Ca -0.01 -1.02 0.27 0.00 0.21 0.00 0.00 52.86 52.31 3ade s ASN 397 Cb -0.14 -2.08 1.45 0.00 -0.55 0.00 0.00 41.25 39.93 3ade s ASN 397 CO -0.05 -0.44 1.98 -0.65 -2.79 0.00 0.00 177.10 175.15 3ade h PRO 398 N 8.52 0.00 -0.59 0.43 0.11 -1.90 0.88 132.00 139.45 3ade h PRO 398 Ca -0.26 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.78 3ade h PRO 398 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3ade h PRO 398 CO 0.71 0.00 0.09 0.52 -0.21 0.00 0.00 178.00 179.11 3ade h MET 399 N 0.00 0.95 0.00 1.05 2.86 -1.89 -0.95 114.93 116.94 3ade h MET 399 Ca 0.25 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3ade h MET 399 Cb 1.06 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.60 3ade h MET 399 CO -0.00 0.88 -0.99 0.25 1.06 0.00 0.00 176.91 178.11 3ade n THR 400 N -4.23 0.00 -3.28 2.22 -2.24 -0.38 -4.50 114.28 101.87 3ade n THR 400 Ca 0.04 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.43 3ade n THR 400 Cb 0.28 0.58 0.08 0.00 -2.10 0.00 0.00 70.33 69.17 3ade n THR 400 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3ade n ASN 401 N -1.56 -2.46 -3.90 3.42 5.15 0.29 -5.02 115.26 111.19 3ade n ASN 401 Ca -0.00 -0.57 -0.11 0.00 -0.60 0.00 0.00 54.58 53.30 3ade n ASN 401 Cb 0.18 -4.72 -0.12 0.00 -0.53 0.00 0.00 39.78 34.59 3ade n ASN 401 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3ade s GLN 402 N -5.14 0.19 -0.14 1.20 -0.21 -1.24 -4.57 119.66 109.75 3ade s GLN 402 Ca 0.04 -0.24 -0.11 0.00 0.02 0.00 0.00 55.36 55.07 3ade s GLN 402 Cb -0.01 0.07 -0.05 0.00 1.00 0.00 0.00 33.01 34.03 3ade s GLN 402 CO 0.67 -0.03 0.23 -1.58 -2.12 0.00 0.00 175.29 172.45 3ade s TRP 403 N -0.67 3.51 -0.06 0.91 0.52 -1.26 -2.41 118.94 119.48 3ade s TRP 403 Ca -0.07 0.56 0.06 0.00 0.02 0.00 0.00 56.10 56.66 3ade s TRP 403 Cb -0.05 -2.20 -0.01 0.00 -1.15 0.00 0.00 33.47 30.06 3ade s TRP 403 CO -0.00 0.40 -0.23 -1.12 0.02 0.00 0.00 176.95 176.02 3ade s SER 404 N -0.05 2.85 0.53 2.95 0.01 0.15 -4.95 113.70 115.19 3ade s SER 404 Ca 0.15 -0.48 -0.19 0.00 1.31 0.00 0.00 55.95 56.75 3ade s SER 404 Cb -0.13 -0.82 -0.06 0.00 0.21 0.00 0.00 66.02 65.22 3ade s SER 404 CO 0.03 0.22 1.06 -2.84 0.41 0.00 0.00 173.24 172.12 3ade s PRO 405 N -0.08 3.55 0.47 12.44 0.02 -1.26 0.09 135.00 150.22 3ade s PRO 405 Ca -0.05 1.35 0.02 0.00 0.02 0.00 0.00 61.00 62.35 3ade s PRO 405 Cb -0.14 -2.06 -0.01 0.00 0.02 0.00 0.00 34.50 32.31 3ade s PRO 405 CO 0.04 -0.64 0.07 0.00 -0.33 0.00 0.00 177.00 176.14 3ade n ALA 407 N -1.11 2.27 -2.29 0.00 0.00 -1.26 -4.51 120.51 113.61 3ade n ALA 407 Ca -0.13 0.35 -0.30 0.00 0.00 0.00 0.00 53.44 53.36 3ade n ALA 407 Cb 0.66 -2.41 -0.04 0.00 0.00 0.00 0.00 19.45 17.66 3ade n ALA 407 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3ade s SER 408 N 0.00 6.55 0.71 0.00 0.01 -1.26 -4.31 113.70 115.40 3ade s SER 408 Ca 0.56 1.02 -0.13 0.00 1.31 0.00 0.00 55.95 58.71 3ade s SER 408 Cb -0.49 -2.27 0.02 0.00 0.21 0.00 0.00 66.02 63.49 3ade s SER 408 CO 0.60 -0.28 1.11 -0.04 0.41 0.00 0.00 173.24 175.04 3ade s MET 409 N -3.52 2.55 0.11 12.44 -1.94 0.49 -4.84 119.30 124.59 3ade s MET 409 Ca 0.49 1.32 0.11 0.00 -1.71 0.00 0.00 55.69 55.91 3ade s MET 409 Cb -0.10 -1.92 0.54 0.00 2.01 0.00 0.00 34.83 35.35 3ade s MET 409 CO 0.28 -1.44 1.34 -1.13 -0.01 0.00 0.00 175.02 174.06 3ade n SER 410 N -2.86 0.22 -3.63 3.03 3.41 -1.26 -4.73 113.62 107.80 3ade n SER 410 Ca 0.10 0.59 -0.14 0.00 -0.26 0.00 0.00 58.87 59.16 3ade n SER 410 Cb 0.52 -0.62 -0.06 0.00 -0.26 0.00 0.00 64.21 63.79 3ade n SER 410 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ade s VAL 411 N -3.18 0.04 0.42 -3.33 0.11 -1.26 -5.14 120.40 108.06 3ade s VAL 411 Ca 0.01 -0.33 -0.24 0.00 -2.93 0.00 0.00 61.98 58.49 3ade s VAL 411 Cb 0.05 -0.92 -0.08 0.00 -1.53 0.00 0.00 36.38 33.89 3ade s VAL 411 CO 0.15 -0.18 1.11 -2.84 -3.33 0.00 0.00 175.10 170.01 3ade s PRO 412 N -2.15 4.02 -0.33 1.54 0.02 -1.26 -4.48 135.00 132.36 3ade s PRO 412 Ca -0.07 1.67 -0.01 0.00 0.02 0.00 0.00 61.00 62.61 3ade s PRO 412 Cb -0.01 -2.54 0.12 0.00 0.02 0.00 0.00 34.50 32.09 3ade s PRO 412 CO 0.00 -0.30 0.17 1.03 -0.33 0.00 0.00 177.00 177.57 3ade s ARG 413 N -2.50 0.55 0.16 5.54 0.52 -0.45 -4.36 118.95 118.42 3ade s ARG 413 Ca 0.59 -1.10 -0.18 0.00 -0.52 0.00 0.00 55.73 54.52 3ade s ARG 413 Cb -0.26 -1.51 -0.07 0.00 0.52 0.00 0.00 34.95 33.63 3ade s ARG 413 CO 0.32 -1.10 0.64 1.21 0.02 0.00 0.00 175.30 176.39 3ade s ASN 414 N 1.42 7.01 -1.19 0.23 2.47 0.17 -0.65 114.94 124.41 3ade s ASN 414 Ca 0.13 1.30 -0.03 0.00 0.42 0.00 0.00 52.86 54.69 3ade s ASN 414 Cb -0.20 -2.37 -0.02 0.00 -1.45 0.00 0.00 41.25 37.21 3ade s ASN 414 CO -0.16 0.12 0.90 0.54 -3.72 0.00 0.00 177.10 174.78 3ade n ARG 415 N 1.04 -4.93 -1.95 0.43 1.74 -0.22 0.31 116.66 113.08 3ade n ARG 415 Ca -0.05 0.78 -0.30 0.00 -0.77 0.00 0.00 57.85 57.50 3ade n ARG 415 Cb 0.51 -5.59 0.04 0.00 -1.02 0.00 0.00 32.46 26.39 3ade n ARG 415 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3ade s ILE 416 N -3.45 3.78 -0.02 0.55 2.07 -0.76 -1.43 121.20 121.93 3ade s ILE 416 Ca 0.13 0.51 0.07 0.00 -1.41 0.00 0.00 60.65 59.94 3ade s ILE 416 Cb -0.02 -3.56 -0.02 0.00 0.13 0.00 0.00 42.46 38.99 3ade s ILE 416 CO 0.76 -0.72 -0.22 -0.83 -1.91 0.00 0.00 174.94 172.01 3ade s GLY 417 N -4.31 1.11 0.01 1.50 0.00 -0.90 -4.66 107.32 100.06 3ade s GLY 417 Ca 0.57 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 44.34 3ade s GLY 417 CO 0.51 -0.75 -0.02 0.14 0.00 0.00 0.00 173.10 172.98 3ade s VAL 418 N -0.44 0.17 0.08 1.40 1.01 -1.26 -0.12 120.40 121.24 3ade s VAL 418 Ca 0.06 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.68 3ade s VAL 418 Cb -0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 3ade s VAL 418 CO -0.00 -0.08 0.14 -0.83 0.00 0.00 0.00 175.10 174.33 3ade s GLY 419 N -0.40 0.17 -0.04 4.51 0.00 -0.95 -4.60 107.32 106.00 3ade s GLY 419 Ca -0.03 -0.71 0.04 0.00 0.00 0.00 0.00 44.72 44.02 3ade s GLY 419 CO -0.00 -0.88 -0.17 0.14 0.00 0.00 0.00 173.10 172.19 3ade s VAL 420 N -3.74 1.39 -0.05 1.40 1.01 -1.26 -0.56 120.40 118.59 3ade s VAL 420 Ca 0.04 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 3ade s VAL 420 Cb 0.05 -1.20 0.03 0.00 0.00 0.00 0.00 36.38 35.26 3ade s VAL 420 CO -0.10 0.40 0.03 -0.63 0.00 0.00 0.00 175.10 174.80 3ade s ILE 421 N 0.06 0.13 -1.47 2.22 1.01 -0.25 -4.86 121.20 118.04 3ade s ILE 421 Ca -0.04 0.27 -0.10 0.00 0.00 0.00 0.00 60.65 60.77 3ade s ILE 421 Cb -0.11 -0.33 0.06 0.00 0.01 0.00 0.00 42.46 42.09 3ade s ILE 421 CO 0.02 0.21 0.94 -0.67 0.00 0.00 0.00 174.94 175.45 3ade n ASP 422 N 5.13 -4.17 -0.61 3.58 4.64 -1.26 -1.07 116.55 122.80 3ade n ASP 422 Ca -0.07 -0.77 -0.08 0.00 -1.38 0.00 0.00 54.79 52.50 3ade n ASP 422 Cb 0.50 -4.03 -0.03 0.00 -1.04 0.00 0.00 41.12 36.51 3ade n ASP 422 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3ade n GLY 423 N -1.70 0.97 3.32 0.27 0.00 -1.26 -5.01 105.19 101.79 3ade n GLY 423 Ca -0.04 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 3ade n GLY 423 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ade s HIS 424 N -2.23 2.50 -0.16 1.61 3.76 -0.23 -4.56 115.29 115.98 3ade s HIS 424 Ca 0.00 -0.56 -0.13 0.00 -0.15 0.00 0.00 55.06 54.22 3ade s HIS 424 Cb 0.00 -1.61 -0.05 0.00 1.11 0.00 0.00 32.58 32.03 3ade s HIS 424 CO 0.00 -0.11 0.27 0.42 -0.85 0.00 0.00 174.74 174.46 3ade s ILE 425 N -0.30 5.32 -0.23 0.60 1.01 -1.04 -1.09 121.20 125.47 3ade s ILE 425 Ca 0.01 0.49 -0.05 0.00 0.00 0.00 0.00 60.65 61.10 3ade s ILE 425 Cb -0.13 -3.60 -0.01 0.00 0.01 0.00 0.00 42.46 38.73 3ade s ILE 425 CO 0.02 0.41 -0.02 -0.31 0.00 0.00 0.00 174.94 175.05 3ade s TYR 426 N 0.33 3.00 -0.27 3.97 2.02 0.28 0.05 117.35 126.72 3ade s TYR 426 Ca 0.15 -0.89 -0.13 0.00 -0.37 0.00 0.00 57.07 55.83 3ade s TYR 426 Cb -0.13 -2.14 -0.04 0.00 -0.40 0.00 0.00 41.96 39.25 3ade s TYR 426 CO 0.03 -0.53 0.30 0.00 -1.57 0.00 0.00 175.55 173.79 3ade s ALA 427 N 1.49 3.55 -0.09 3.71 0.00 0.13 -2.24 121.76 128.31 3ade s ALA 427 Ca 0.05 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.12 3ade s ALA 427 Cb -0.15 -2.62 -0.02 0.00 0.00 0.00 0.00 23.12 20.34 3ade s ALA 427 CO -0.02 -0.61 -0.16 0.08 0.00 0.00 0.00 175.76 175.06 3ade s VAL 428 N 1.93 2.88 0.00 0.00 1.01 0.83 -1.55 120.40 125.51 3ade s VAL 428 Ca 0.12 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3ade s VAL 428 Cb -0.16 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.07 3ade s VAL 428 CO 0.10 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.37 3ade n GLY 429 N 3.01 1.68 0.00 4.51 0.00 -0.94 -2.13 105.19 111.32 3ade n GLY 429 Ca -0.18 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3ade n GLY 429 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ade n GLY 430 N 0.00 0.52 3.31 -0.02 0.00 0.45 -4.74 105.19 104.71 3ade n GLY 430 Ca 0.00 -2.13 -0.20 0.00 0.00 0.00 0.00 46.02 43.69 3ade n GLY 430 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ade s SER 431 N 0.00 2.44 -0.16 1.61 1.04 0.15 -0.51 113.70 118.26 3ade s SER 431 Ca 0.00 -0.89 -0.04 0.00 0.48 0.00 0.00 55.95 55.50 3ade s SER 431 Cb 0.00 -0.12 0.06 0.00 0.10 0.00 0.00 66.02 66.06 3ade s SER 431 CO 0.00 -0.11 0.11 -2.28 0.98 0.00 0.00 173.24 171.94 3ade s HIS 432 N -2.32 0.10 0.00 5.02 5.04 0.11 0.45 115.29 123.68 3ade s HIS 432 Ca 0.15 -0.14 0.00 0.00 -1.54 0.00 0.00 55.06 53.53 3ade s HIS 432 Cb -0.04 -0.61 0.00 0.00 0.04 0.00 0.00 32.58 31.97 3ade s HIS 432 CO 0.05 -0.48 0.00 0.41 -2.34 0.00 0.00 174.74 172.38 3ade n GLY 433 N 5.29 2.55 1.49 1.59 0.00 -1.26 -1.21 105.19 113.63 3ade n GLY 433 Ca -0.06 -0.32 0.10 0.00 0.00 0.00 0.00 46.02 45.74 3ade n GLY 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ade s ILE 435 N -1.48 4.89 -0.26 0.00 1.01 -0.35 -5.07 121.20 119.94 3ade s ILE 435 Ca 0.50 -0.00 -0.10 0.00 0.00 0.00 0.00 60.65 61.05 3ade s ILE 435 Cb 0.30 -3.19 -0.05 0.00 0.01 0.00 0.00 42.46 39.52 3ade s ILE 435 CO 0.28 0.48 0.16 -1.00 0.00 0.00 0.00 174.94 174.87 3ade s HIS 436 N 0.19 3.24 0.59 3.97 3.76 -1.26 -0.72 115.29 125.06 3ade s HIS 436 Ca 0.05 0.10 -0.16 0.00 -0.15 0.00 0.00 55.06 54.90 3ade s HIS 436 Cb -0.12 -2.32 -0.04 0.00 1.11 0.00 0.00 32.58 31.21 3ade s HIS 436 CO 0.00 -0.09 1.06 -1.01 -0.85 0.00 0.00 174.74 173.85 3ade s HIS 437 N 1.46 2.95 0.00 1.40 0.09 0.33 -4.72 115.29 116.80 3ade s HIS 437 Ca 0.07 1.52 0.00 0.00 -0.00 0.00 0.00 55.06 56.65 3ade s HIS 437 Cb -0.15 -3.03 0.00 0.00 -0.00 0.00 0.00 32.58 29.40 3ade s HIS 437 CO 0.08 -1.16 0.00 -1.13 -0.00 0.00 0.00 174.74 172.53 3ade n SER 438 N -1.97 0.23 -4.73 1.40 3.41 -1.26 -0.49 113.62 110.21 3ade n SER 438 Ca 0.09 -0.20 -0.30 0.00 -0.26 0.00 0.00 58.87 58.20 3ade n SER 438 Cb 0.53 0.45 0.14 0.00 -0.26 0.00 0.00 64.21 65.06 3ade n SER 438 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3ade s SER 439 N -0.49 3.46 -0.04 4.04 1.04 -1.26 0.76 113.70 121.21 3ade s SER 439 Ca 0.00 1.38 -0.11 0.00 0.48 0.00 0.00 55.95 57.70 3ade s SER 439 Cb 0.00 -2.06 0.02 0.00 0.10 0.00 0.00 66.02 64.08 3ade s SER 439 CO 0.00 -2.63 0.25 -0.69 0.98 0.00 0.00 173.24 171.15 3ade s VAL 440 N -2.99 0.04 0.07 5.02 1.01 -1.26 -2.20 120.40 120.09 3ade s VAL 440 Ca 0.63 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.29 3ade s VAL 440 Cb -0.17 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 3ade s VAL 440 CO 0.56 -0.20 -0.12 -1.61 0.00 0.00 0.00 175.10 173.73 3ade s GLU 441 N -0.83 0.75 -0.11 2.72 2.02 -0.59 -1.55 118.70 121.11 3ade s GLU 441 Ca -0.09 -0.92 0.03 0.00 0.02 0.00 0.00 54.97 54.00 3ade s GLU 441 Cb -0.05 -0.68 0.01 0.00 0.10 0.00 0.00 34.13 33.51 3ade s GLU 441 CO 0.02 0.14 -0.21 0.50 0.02 0.00 0.00 175.26 175.74 3ade s ARG 442 N -1.79 2.77 -0.18 1.61 3.52 0.37 -0.70 118.95 124.56 3ade s ARG 442 Ca -0.03 -0.77 -0.07 0.00 -0.13 0.00 0.00 55.73 54.72 3ade s ARG 442 Cb -0.09 -2.17 -0.04 0.00 -1.56 0.00 0.00 34.95 31.08 3ade s ARG 442 CO 0.02 0.08 0.07 -0.47 -0.81 0.00 0.00 175.30 174.18 3ade s TYR 443 N 0.59 3.27 -0.45 5.12 5.04 0.11 -1.65 117.35 129.38 3ade s TYR 443 Ca -0.14 0.11 -0.11 0.00 -2.44 0.00 0.00 57.07 54.50 3ade s TYR 443 Cb -0.17 -2.06 0.09 0.00 0.35 0.00 0.00 41.96 40.17 3ade s TYR 443 CO 0.04 0.20 0.32 -1.21 -1.34 0.00 0.00 175.55 173.56 3ade s GLU 444 N 0.25 2.66 0.09 4.97 2.02 0.96 -2.50 118.70 127.15 3ade s GLU 444 Ca 0.04 -1.55 -0.27 0.00 0.02 0.00 0.00 54.97 53.22 3ade s GLU 444 Cb -0.12 -3.92 -0.11 0.00 0.10 0.00 0.00 34.13 30.09 3ade s GLU 444 CO 0.00 -1.06 1.43 -1.35 0.02 0.00 0.00 175.26 174.30 3ade h PRO 445 N 8.51 -0.50 -0.85 0.39 0.11 -1.86 1.21 132.00 139.02 3ade h PRO 445 Ca -0.24 0.03 0.12 0.00 0.11 0.00 0.00 66.00 66.03 3ade h PRO 445 Cb 1.09 0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 3ade h PRO 445 CO 0.83 -0.34 0.55 0.93 -0.21 0.00 0.00 178.00 179.76 3ade h GLU 446 N -0.52 0.70 0.00 1.05 4.39 -1.94 -0.68 114.58 117.58 3ade h GLU 446 Ca 0.01 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3ade h GLU 446 Cb 0.56 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3ade h GLU 446 CO -0.28 0.46 -0.90 0.54 -1.16 0.00 0.00 179.01 177.67 3ade n ARG 447 N -4.53 0.20 -3.51 2.33 1.74 -1.11 -5.00 116.66 106.79 3ade n ARG 447 Ca 0.15 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.99 3ade n ARG 447 Cb 0.39 -1.57 0.05 0.00 -1.02 0.00 0.00 32.46 30.32 3ade n ARG 447 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3ade n ASP 448 N -1.82 -5.90 -3.89 0.55 2.03 0.41 -5.02 116.55 102.91 3ade n ASP 448 Ca 0.03 -0.87 -0.10 0.00 0.52 0.00 0.00 54.79 54.36 3ade n ASP 448 Cb 0.40 -4.06 -0.10 0.00 -0.72 0.00 0.00 41.12 36.64 3ade n ASP 448 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3ade s GLU 449 N -5.29 0.53 0.16 -0.67 2.02 -0.95 -4.72 118.70 109.79 3ade s GLU 449 Ca 0.44 -0.54 0.08 0.00 0.02 0.00 0.00 54.97 54.97 3ade s GLU 449 Cb -0.12 0.21 -0.04 0.00 0.10 0.00 0.00 34.13 34.28 3ade s GLU 449 CO 0.82 -0.13 -0.08 -1.58 0.02 0.00 0.00 175.26 174.31 3ade s TRP 450 N -1.88 2.69 -0.20 1.61 0.52 -1.26 -0.03 118.94 120.40 3ade s TRP 450 Ca -0.11 -0.19 -0.15 0.00 0.02 0.00 0.00 56.10 55.66 3ade s TRP 450 Cb -0.05 -1.33 0.06 0.00 -1.15 0.00 0.00 33.47 30.99 3ade s TRP 450 CO -0.01 0.50 0.50 -1.01 0.02 0.00 0.00 176.95 176.95 3ade s HIS 451 N -1.61 -0.63 0.33 -1.98 3.76 -0.66 -4.95 115.29 109.56 3ade s HIS 451 Ca 0.25 1.44 -0.27 0.00 -0.15 0.00 0.00 55.06 56.32 3ade s HIS 451 Cb -0.09 0.26 -0.09 0.00 1.11 0.00 0.00 32.58 33.77 3ade s HIS 451 CO 0.15 -0.32 1.09 -0.51 -0.85 0.00 0.00 174.74 174.30 3ade s LEU 452 N 0.73 4.37 0.00 0.89 1.43 -1.26 -0.48 118.68 124.36 3ade s LEU 452 Ca -0.04 2.19 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 3ade s LEU 452 Cb -0.05 -3.86 0.00 0.00 0.03 0.00 0.00 46.19 42.31 3ade s LEU 452 CO -0.05 -0.31 0.03 1.33 0.23 0.00 0.00 176.35 177.58 3ade n VAL 453 N 0.64 0.00 -1.77 -1.59 0.24 -0.59 -4.89 118.33 110.37 3ade n VAL 453 Ca 0.02 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.34 61.40 3ade n VAL 453 Cb 0.47 -0.08 -0.02 0.00 -1.47 0.00 0.00 33.84 32.74 3ade n VAL 453 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ade s ALA 454 N -2.18 3.79 0.53 2.33 0.00 -1.26 -4.48 121.76 120.48 3ade s ALA 454 Ca 0.02 1.58 -0.18 0.00 0.00 0.00 0.00 51.96 53.38 3ade s ALA 454 Cb -0.00 -3.66 -0.06 0.00 0.00 0.00 0.00 23.12 19.39 3ade s ALA 454 CO 0.02 -0.97 1.05 -1.25 0.00 0.00 0.00 175.76 174.60 3ade s PRO 455 N -0.16 3.60 1.14 0.00 0.04 -1.26 -4.54 135.00 133.82 3ade s PRO 455 Ca 0.66 1.28 -0.12 0.00 0.04 0.00 0.00 61.00 62.86 3ade s PRO 455 Cb -0.48 -2.07 0.27 0.00 0.04 0.00 0.00 34.50 32.26 3ade s PRO 455 CO 0.45 -0.59 1.04 -1.64 0.04 0.00 0.00 177.00 176.30 3ade s MET 456 N -3.61 -0.74 0.14 4.56 -1.94 0.23 -4.79 119.30 113.14 3ade s MET 456 Ca 0.65 1.00 0.26 0.00 -1.71 0.00 0.00 55.69 55.90 3ade s MET 456 Cb -0.16 -1.56 0.95 0.00 2.01 0.00 0.00 34.83 36.07 3ade s MET 456 CO 0.27 -3.65 1.81 1.28 -0.01 0.00 0.00 175.02 174.72 3ade n LEU 457 N -4.89 0.53 -4.08 -0.03 4.77 -1.26 -4.82 117.00 107.21 3ade n LEU 457 Ca 0.04 0.56 -0.12 0.00 -0.03 0.00 0.00 56.01 56.46 3ade n LEU 457 Cb 0.54 -0.40 -0.11 0.00 -2.33 0.00 0.00 43.42 41.12 3ade n LEU 457 CO 0.56 -0.16 -0.40 -0.89 -1.33 0.00 0.00 177.39 175.18 3ade s THR 458 N -3.08 0.56 -0.13 -5.08 2.01 -1.26 -5.12 115.64 103.53 3ade s THR 458 Ca 0.11 -1.28 -0.26 0.00 0.31 0.00 0.00 61.69 60.57 3ade s THR 458 Cb 0.14 -0.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.78 3ade s THR 458 CO 0.55 -0.51 0.85 -0.13 -0.69 0.00 0.00 174.62 174.69 3ade s ARG 459 N -2.12 4.35 -0.01 4.92 0.52 -1.26 -4.50 118.95 120.85 3ade s ARG 459 Ca -0.05 1.08 -0.00 0.00 -0.52 0.00 0.00 55.73 56.24 3ade s ARG 459 Cb -0.06 -3.54 0.01 0.00 0.52 0.00 0.00 34.95 31.88 3ade s ARG 459 CO -0.01 -0.25 0.01 1.03 0.02 0.00 0.00 175.30 176.11 3ade s ARG 460 N 1.84 -0.01 0.10 3.54 0.52 0.36 -3.64 118.95 121.66 3ade s ARG 460 Ca 0.41 0.07 0.02 0.00 -0.52 0.00 0.00 55.73 55.71 3ade s ARG 460 Cb -0.17 -0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.18 3ade s ARG 460 CO 0.15 -0.05 -0.08 0.96 0.02 0.00 0.00 175.30 176.30 3ade s ILE 461 N 0.35 0.78 -1.65 1.52 -4.36 -0.84 -0.41 121.20 116.57 3ade s ILE 461 Ca -0.03 -1.82 0.00 0.00 -0.26 0.00 0.00 60.65 58.54 3ade s ILE 461 Cb -0.04 -1.55 0.00 0.00 1.25 0.00 0.00 42.46 42.12 3ade s ILE 461 CO -0.01 -0.76 0.00 0.61 0.24 0.00 0.00 174.94 175.02 3ade n GLY 462 N 0.18 1.01 3.80 6.27 0.00 -0.52 -0.31 105.19 115.62 3ade n GLY 462 Ca -0.14 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 3ade n GLY 462 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ade s VAL 463 N -2.69 4.50 -0.13 1.61 0.11 -1.26 -0.16 120.40 122.39 3ade s VAL 463 Ca 0.00 1.42 -0.11 0.00 -2.93 0.00 0.00 61.98 60.36 3ade s VAL 463 Cb 0.00 -3.94 -0.05 0.00 -1.53 0.00 0.00 36.38 30.87 3ade s VAL 463 CO 0.00 0.30 0.24 -0.83 -3.33 0.00 0.00 175.10 171.47 3ade s GLY 464 N -1.50 2.21 -0.04 6.54 0.00 -0.49 -4.30 107.32 109.73 3ade s GLY 464 Ca 0.41 -0.51 0.03 0.00 0.00 0.00 0.00 44.72 44.65 3ade s GLY 464 CO 0.22 0.07 -0.13 0.14 0.00 0.00 0.00 173.10 173.40 3ade s VAL 465 N -0.30 1.12 0.05 1.40 1.01 -1.26 -0.53 120.40 121.88 3ade s VAL 465 Ca 0.16 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 3ade s VAL 465 Cb -0.13 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 3ade s VAL 465 CO 0.05 0.33 0.11 0.00 0.00 0.00 0.00 175.10 175.59 3ade s ALA 466 N 0.20 -0.05 -0.08 5.51 0.00 -0.98 -4.66 121.76 121.70 3ade s ALA 466 Ca -0.05 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.33 3ade s ALA 466 Cb -0.11 0.30 -0.00 0.00 0.00 0.00 0.00 23.12 23.31 3ade s ALA 466 CO 0.02 -0.37 -0.23 0.08 0.00 0.00 0.00 175.76 175.27 3ade s VAL 467 N -3.01 1.91 -0.05 0.00 1.01 -1.26 -1.02 120.40 117.98 3ade s VAL 467 Ca -0.02 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 3ade s VAL 467 Cb 0.01 -1.65 0.03 0.00 0.00 0.00 0.00 36.38 34.77 3ade s VAL 467 CO -0.06 0.53 0.12 -0.22 0.00 0.00 0.00 175.10 175.47 3ade s LEU 468 N 0.22 0.96 -1.46 3.92 2.96 -0.67 -4.81 118.68 119.80 3ade s LEU 468 Ca -0.13 0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 53.98 3ade s LEU 468 Cb -0.16 0.30 0.03 0.00 0.50 0.00 0.00 46.19 46.87 3ade s LEU 468 CO 0.07 -0.12 0.55 -3.20 -1.32 0.00 0.00 176.35 172.32 3ade n ASN 469 N 3.95 -1.23 -4.05 3.68 5.15 -1.26 -1.55 115.26 119.94 3ade n ASN 469 Ca -0.24 -0.97 -0.32 0.00 -0.60 0.00 0.00 54.58 52.45 3ade n ASN 469 Cb 0.53 -3.16 -0.00 0.00 -0.53 0.00 0.00 39.78 36.62 3ade n ASN 469 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3ade n ARG 470 N -4.41 -4.23 -4.39 1.20 1.74 -1.26 -4.98 116.66 100.33 3ade n ARG 470 Ca -0.22 0.48 -0.19 0.00 -0.77 0.00 0.00 57.85 57.15 3ade n ARG 470 Cb 0.64 -5.21 -0.15 0.00 -1.02 0.00 0.00 32.46 26.72 3ade n ARG 470 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3ade s LEU 471 N -7.23 1.95 -0.16 0.55 1.43 -0.60 -4.76 118.68 109.87 3ade s LEU 471 Ca 0.61 -0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 53.44 3ade s LEU 471 Cb -0.32 -0.51 -0.05 0.00 0.03 0.00 0.00 46.19 45.35 3ade s LEU 471 CO 0.88 0.10 0.16 -0.22 0.23 0.00 0.00 176.35 177.51 3ade s LEU 472 N -0.11 4.29 -0.09 1.79 2.96 -1.14 -1.67 118.68 124.71 3ade s LEU 472 Ca 0.02 0.38 0.04 0.00 -0.22 0.00 0.00 54.13 54.35 3ade s LEU 472 Cb -0.05 -2.14 -0.01 0.00 0.50 0.00 0.00 46.19 44.50 3ade s LEU 472 CO -0.00 0.26 -0.23 -0.31 -1.32 0.00 0.00 176.35 174.75 3ade s TYR 473 N -0.18 2.55 -0.27 5.38 2.02 -0.19 -0.69 117.35 125.98 3ade s TYR 473 Ca 0.12 -0.84 -0.03 0.00 -0.37 0.00 0.00 57.07 55.95 3ade s TYR 473 Cb -0.12 -1.68 0.03 0.00 -0.40 0.00 0.00 41.96 39.79 3ade s TYR 473 CO 0.01 -0.30 -0.01 0.00 -1.57 0.00 0.00 175.55 173.69 3ade s ALA 474 N 0.12 2.82 -0.00 3.71 0.00 -0.42 -2.31 121.76 125.67 3ade s ALA 474 Ca -0.11 -1.52 0.05 0.00 0.00 0.00 0.00 51.96 50.38 3ade s ALA 474 Cb -0.16 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.07 3ade s ALA 474 CO 0.06 -0.94 -0.14 0.08 0.00 0.00 0.00 175.76 174.82 3ade s VAL 475 N 1.36 3.07 0.00 0.00 1.01 0.31 -0.87 120.40 125.27 3ade s VAL 475 Ca -0.00 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.06 3ade s VAL 475 Cb -0.17 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 33.94 3ade s VAL 475 CO -0.02 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.14 3ade n GLY 476 N 1.86 0.91 0.00 4.51 0.00 -0.45 -1.40 105.19 110.63 3ade n GLY 476 Ca -0.16 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3ade n GLY 476 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ade n GLY 477 N 0.00 -0.30 2.92 -0.02 0.00 -0.07 -4.61 105.19 103.12 3ade n GLY 477 Ca 0.00 -2.19 -0.14 0.00 0.00 0.00 0.00 46.02 43.69 3ade n GLY 477 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3ade s PHE 478 N 0.00 -0.22 -1.13 1.61 5.36 0.58 -0.44 117.98 123.73 3ade s PHE 478 Ca 0.00 0.62 0.15 0.00 -0.96 0.00 0.00 56.93 56.74 3ade s PHE 478 Cb 0.00 -0.11 0.62 0.00 -0.34 0.00 0.00 43.02 43.19 3ade s PHE 478 CO 0.00 -0.23 1.50 -0.40 -1.46 0.00 0.00 175.22 174.63 3ade n ASP 479 N 4.68 4.19 0.00 6.13 5.68 -1.11 -2.00 116.55 134.12 3ade n ASP 479 Ca -0.18 -2.41 0.00 0.00 -0.50 0.00 0.00 54.79 51.70 3ade n ASP 479 Cb 0.51 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 3ade n ASP 479 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ade n GLY 480 N 0.97 3.00 0.28 6.12 0.00 -1.26 -4.78 105.19 109.52 3ade n GLY 480 Ca 0.22 -0.59 -0.19 0.00 0.00 0.00 0.00 46.02 45.46 3ade n GLY 480 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ade n THR 481 N 0.00 1.33 -4.31 2.61 -1.04 -1.26 -5.05 114.28 106.55 3ade n THR 481 Ca 0.00 -0.15 -0.24 0.00 -2.04 0.00 0.00 64.05 61.62 3ade n THR 481 Cb 0.00 -1.95 -0.12 0.00 -1.82 0.00 0.00 70.33 66.44 3ade n THR 481 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3ade s ASN 482 N -6.70 2.68 0.35 8.00 0.01 -1.26 -5.12 114.94 112.90 3ade s ASN 482 Ca -0.30 -0.74 -0.26 0.00 -0.71 0.00 0.00 52.86 50.86 3ade s ASN 482 Cb 0.09 -0.16 -0.09 0.00 0.41 0.00 0.00 41.25 41.50 3ade s ASN 482 CO 0.39 0.05 1.02 -0.13 -1.51 0.00 0.00 177.10 176.92 3ade s ARG 483 N -2.16 4.42 0.23 -0.60 3.00 -1.26 -2.74 118.95 119.84 3ade s ARG 483 Ca 0.10 1.50 0.05 0.00 0.00 0.00 0.00 55.73 57.38 3ade s ARG 483 Cb -0.09 -2.77 -0.03 0.00 0.00 0.00 0.00 34.95 32.06 3ade s ARG 483 CO 0.05 0.09 0.30 -0.51 0.00 0.00 0.00 175.30 175.23 3ade s LEU 484 N -2.17 4.16 0.00 2.53 1.43 0.41 -4.86 118.68 120.18 3ade s LEU 484 Ca 0.52 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 3ade s LEU 484 Cb -0.23 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.29 3ade s LEU 484 CO 0.29 -0.05 0.00 -0.46 0.23 0.00 0.00 176.35 176.36 3ade n ASN 485 N -1.23 0.16 -4.83 2.29 6.94 -1.26 -0.07 115.26 117.25 3ade n ASN 485 Ca -0.08 -0.26 -0.31 0.00 -0.02 0.00 0.00 54.58 53.91 3ade n ASN 485 Cb 0.57 0.56 0.06 0.00 -2.36 0.00 0.00 39.78 38.60 3ade n ASN 485 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3ade s SER 486 N -0.59 5.26 0.09 0.53 1.04 -1.26 -0.10 113.70 118.68 3ade s SER 486 Ca 0.00 1.40 -0.19 0.00 0.48 0.00 0.00 55.95 57.64 3ade s SER 486 Cb 0.00 -2.25 0.05 0.00 0.10 0.00 0.00 66.02 63.91 3ade s SER 486 CO 0.00 -1.49 0.47 0.00 0.98 0.00 0.00 173.24 173.20 3ade s ALA 487 N -3.16 -1.16 0.23 5.32 0.00 -1.26 -1.34 121.76 120.39 3ade s ALA 487 Ca 0.58 0.29 -0.01 0.00 0.00 0.00 0.00 51.96 52.82 3ade s ALA 487 Cb -0.13 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.52 3ade s ALA 487 CO 0.54 -0.59 0.19 -1.83 0.00 0.00 0.00 175.76 174.08 3ade s GLU 488 N -3.16 1.33 -0.02 0.00 -1.05 -0.05 -1.95 118.70 113.80 3ade s GLU 488 Ca -0.01 -1.65 0.03 0.00 -0.15 0.00 0.00 54.97 53.19 3ade s GLU 488 Cb 0.00 0.30 -0.00 0.00 -0.44 0.00 0.00 34.13 33.99 3ade s GLU 488 CO -0.07 -0.46 -0.10 0.00 0.95 0.00 0.00 175.26 175.57 3ade s TYR 490 N 0.08 3.21 -0.52 0.00 5.04 0.14 -0.31 117.35 124.98 3ade s TYR 490 Ca -0.02 -0.03 -0.08 0.00 -2.44 0.00 0.00 57.07 54.51 3ade s TYR 490 Cb -0.08 -2.19 0.13 0.00 0.35 0.00 0.00 41.96 40.18 3ade s TYR 490 CO 0.00 -0.03 0.39 0.71 -1.34 0.00 0.00 175.55 175.28 3ade s TYR 491 N 0.97 3.47 0.17 4.97 2.02 -0.43 -2.87 117.35 125.65 3ade s TYR 491 Ca 0.05 -2.08 -0.30 0.00 -0.37 0.00 0.00 57.07 54.38 3ade s TYR 491 Cb -0.14 -3.46 -0.04 0.00 -0.40 0.00 0.00 41.96 37.93 3ade s TYR 491 CO 0.03 -0.97 1.54 -1.35 -1.57 0.00 0.00 175.55 173.23 3ade h PRO 492 N 8.12 -0.01 0.00 -1.71 0.11 -1.86 -0.22 132.00 136.44 3ade h PRO 492 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3ade h PRO 492 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3ade h PRO 492 CO 0.81 -0.01 0.33 1.05 -0.21 0.00 0.00 178.00 179.97 3ade h GLU 493 N -0.01 0.00 -0.00 1.05 9.09 -1.96 0.19 114.58 122.93 3ade h GLU 493 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.59 3ade h GLU 493 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.54 3ade h GLU 493 CO -0.93 0.00 -0.05 0.54 0.05 0.00 0.00 179.01 178.62 3ade n ARG 494 N -2.27 4.51 -3.90 1.06 5.12 -0.31 -5.01 116.66 115.86 3ade n ARG 494 Ca -0.01 -0.16 -0.33 0.00 -1.93 0.00 0.00 57.85 55.42 3ade n ARG 494 Cb 0.36 -0.69 0.01 0.00 -1.16 0.00 0.00 32.46 30.97 3ade n ARG 494 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3ade n ASN 495 N -0.72 -3.06 -3.96 0.55 4.05 0.65 -4.96 115.26 107.81 3ade n ASN 495 Ca 0.00 -1.09 -0.09 0.00 0.45 0.00 0.00 54.58 53.85 3ade n ASN 495 Cb 0.03 -2.79 -0.10 0.00 1.23 0.00 0.00 39.78 38.14 3ade n ASN 495 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 177.26 172.38 3ade s GLU 496 N -6.57 0.43 -0.06 1.20 -1.05 -1.21 -4.59 118.70 106.85 3ade s GLU 496 Ca 0.30 -0.66 -0.00 0.00 -0.15 0.00 0.00 54.97 54.46 3ade s GLU 496 Cb -0.13 0.16 -0.03 0.00 -0.44 0.00 0.00 34.13 33.70 3ade s GLU 496 CO 0.90 -0.09 -0.03 -1.58 0.95 0.00 0.00 175.26 175.41 3ade s TRP 497 N -1.93 3.04 -0.03 4.83 0.52 -1.26 -1.32 118.94 122.79 3ade s TRP 497 Ca -0.11 0.09 0.01 0.00 0.02 0.00 0.00 56.10 56.11 3ade s TRP 497 Cb -0.06 -1.73 0.02 0.00 -1.15 0.00 0.00 33.47 30.55 3ade s TRP 497 CO -0.02 0.40 -0.04 1.03 0.02 0.00 0.00 176.95 178.34 3ade s ARG 498 N -0.95 0.64 0.72 4.98 0.52 0.57 -4.93 118.95 120.49 3ade s ARG 498 Ca 0.14 -0.08 -0.14 0.00 -0.52 0.00 0.00 55.73 55.12 3ade s ARG 498 Cb -0.11 -0.67 0.03 0.00 0.52 0.00 0.00 34.95 34.71 3ade s ARG 498 CO 0.03 -0.05 1.15 -1.64 0.02 0.00 0.00 175.30 174.81 3ade s MET 499 N 0.72 2.37 0.14 3.54 -1.94 -1.26 0.33 119.30 123.20 3ade s MET 499 Ca -0.09 1.52 0.02 0.00 -1.71 0.00 0.00 55.69 55.43 3ade s MET 499 Cb -0.12 -1.89 -0.01 0.00 2.01 0.00 0.00 34.83 34.83 3ade s MET 499 CO -0.00 -1.61 0.06 0.44 -0.01 0.00 0.00 175.02 173.89 3ade n ILE 500 N -2.77 0.00 -1.77 2.53 -5.35 -0.82 -4.77 119.36 106.41 3ade n ILE 500 Ca 0.11 -0.82 -0.42 0.00 -0.27 0.00 0.00 62.75 61.35 3ade n ILE 500 Cb 0.51 0.31 -0.03 0.00 -1.74 0.00 0.00 39.64 38.70 3ade n ILE 500 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3ade s THR 501 N -2.12 2.14 0.73 7.28 2.01 -1.26 -4.62 115.64 119.81 3ade s THR 501 Ca 0.08 0.11 -0.11 0.00 0.31 0.00 0.00 61.69 62.08 3ade s THR 501 Cb 0.00 -3.07 0.03 0.00 0.01 0.00 0.00 72.50 69.48 3ade s THR 501 CO 0.06 0.01 1.07 -2.16 -0.69 0.00 0.00 174.62 172.91 3ade s PRO 502 N 0.96 2.64 1.08 4.92 0.04 -1.26 -4.62 135.00 138.76 3ade s PRO 502 Ca 0.72 0.80 -0.16 0.00 0.04 0.00 0.00 61.00 62.40 3ade s PRO 502 Cb -0.48 -1.97 0.23 0.00 0.04 0.00 0.00 34.50 32.32 3ade s PRO 502 CO 0.34 -1.27 1.15 -1.64 0.04 0.00 0.00 177.00 175.62 3ade s MET 503 N -5.11 -0.27 0.14 4.56 -1.94 0.86 -4.82 119.30 112.72 3ade s MET 503 Ca 0.59 0.02 0.23 0.00 -1.71 0.00 0.00 55.69 54.82 3ade s MET 503 Cb -0.14 -1.70 0.11 0.00 2.01 0.00 0.00 34.83 35.11 3ade s MET 503 CO 0.54 -3.10 1.11 0.09 -0.01 0.00 0.00 175.02 173.66 3ade n ASN 504 N -4.34 0.73 -4.13 3.03 3.02 -1.26 -4.88 115.26 107.43 3ade n ASN 504 Ca 0.11 0.15 -0.23 0.00 -0.03 0.00 0.00 54.58 54.57 3ade n ASN 504 Cb 0.59 0.47 -0.15 0.00 -0.61 0.00 0.00 39.78 40.08 3ade n ASN 504 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3ade s THR 505 N -3.27 1.23 -0.02 3.41 2.01 -1.26 -5.10 115.64 112.63 3ade s THR 505 Ca 0.02 -0.66 -0.30 0.00 0.31 0.00 0.00 61.69 61.07 3ade s THR 505 Cb 0.12 -1.03 -0.06 0.00 0.01 0.00 0.00 72.50 71.54 3ade s THR 505 CO 0.77 0.35 1.57 -0.63 -0.69 0.00 0.00 174.62 175.99 3ade s ILE 506 N -0.31 3.55 -0.07 1.82 -1.09 -1.26 -4.58 121.20 119.26 3ade s ILE 506 Ca 0.05 0.81 -0.00 0.00 -2.23 0.00 0.00 60.65 59.28 3ade s ILE 506 Cb -0.07 -3.52 0.02 0.00 -1.58 0.00 0.00 42.46 37.32 3ade s ILE 506 CO -0.00 -0.04 -0.03 -0.13 -1.23 0.00 0.00 174.94 173.51 3ade s ARG 507 N 3.31 0.85 -0.11 2.79 0.52 0.90 -3.61 118.95 123.60 3ade s ARG 507 Ca 0.70 -0.03 0.02 0.00 -0.52 0.00 0.00 55.73 55.90 3ade s ARG 507 Cb -0.33 -1.02 0.01 0.00 0.52 0.00 0.00 34.95 34.13 3ade s ARG 507 CO 0.28 -0.21 -0.18 0.45 0.02 0.00 0.00 175.30 175.66 3ade s SER 508 N 1.51 2.65 -0.47 0.23 0.15 -0.25 -0.89 113.70 116.63 3ade s SER 508 Ca -0.01 -0.48 -0.03 0.00 0.70 0.00 0.00 55.95 56.13 3ade s SER 508 Cb -0.13 -1.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.98 3ade s SER 508 CO -0.04 0.06 0.39 0.61 1.20 0.00 0.00 173.24 175.46 3ade n GLY 509 N 4.02 0.44 3.95 9.45 0.00 0.77 -0.25 105.19 123.57 3ade n GLY 509 Ca -0.20 -0.37 -0.23 0.00 0.00 0.00 0.00 46.02 45.23 3ade n GLY 509 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ade s ALA 510 N -3.08 3.77 -0.26 4.61 0.00 -1.26 0.04 121.76 125.58 3ade s ALA 510 Ca 0.19 -1.06 -0.20 0.00 0.00 0.00 0.00 51.96 50.89 3ade s ALA 510 Cb -0.09 -2.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.90 3ade s ALA 510 CO 0.24 -0.33 0.61 0.20 0.00 0.00 0.00 175.76 176.48 3ade s GLY 511 N -4.20 1.81 -0.18 0.00 0.00 -0.34 -4.57 107.32 99.85 3ade s GLY 511 Ca 0.47 -0.48 -0.00 0.00 0.00 0.00 0.00 44.72 44.71 3ade s GLY 511 CO 0.37 1.42 -0.16 0.14 0.00 0.00 0.00 173.10 174.88 3ade s VAL 512 N 2.49 2.49 0.29 1.40 1.01 -1.26 -1.32 120.40 125.50 3ade s VAL 512 Ca 0.25 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.46 3ade s VAL 512 Cb -0.15 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 3ade s VAL 512 CO 0.09 0.51 0.27 0.00 0.00 0.00 0.00 175.10 175.96 3ade s VAL 514 N -3.64 2.57 -0.18 0.00 1.01 -1.26 0.51 120.40 119.42 3ade s VAL 514 Ca 0.38 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.43 3ade s VAL 514 Cb 0.03 -1.98 0.09 0.00 0.00 0.00 0.00 36.38 34.52 3ade s VAL 514 CO 0.21 0.57 0.28 -0.22 0.00 0.00 0.00 175.10 175.94 3ade s LEU 515 N -0.37 -0.32 0.00 3.92 2.96 -0.46 -4.85 118.68 119.56 3ade s LEU 515 Ca 0.03 0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.23 3ade s LEU 515 Cb -0.12 0.71 0.00 0.00 0.50 0.00 0.00 46.19 47.28 3ade s LEU 515 CO 0.02 -0.28 0.00 1.41 -1.32 0.00 0.00 176.35 176.18 3ade n HIS 516 N 5.35 0.00 -0.70 5.38 8.25 -1.26 -2.16 115.22 130.08 3ade n HIS 516 Ca -0.06 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.47 3ade n HIS 516 Cb 0.50 0.00 0.37 0.00 1.12 0.00 0.00 29.99 31.98 3ade n HIS 516 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3ade n ASN 517 N 7.30 5.23 -4.22 0.41 5.15 -1.26 -4.95 115.26 122.92 3ade n ASN 517 Ca 0.00 -2.78 -0.19 0.00 -0.60 0.00 0.00 54.58 51.01 3ade n ASN 517 Cb 0.00 -0.65 -0.12 0.00 -0.53 0.00 0.00 39.78 38.48 3ade n ASN 517 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ade s ILE 519 N -1.68 4.89 -0.03 0.00 -1.09 -0.80 -1.36 121.20 121.13 3ade s ILE 519 Ca 0.04 0.02 -0.08 0.00 -2.23 0.00 0.00 60.65 58.40 3ade s ILE 519 Cb -0.07 -3.30 -0.05 0.00 -1.58 0.00 0.00 42.46 37.46 3ade s ILE 519 CO 0.03 0.32 0.25 -0.31 -1.23 0.00 0.00 174.94 174.00 3ade s TYR 520 N 1.48 3.61 -0.22 3.97 1.51 0.18 -0.48 117.35 127.41 3ade s TYR 520 Ca 0.06 0.64 0.00 0.00 -1.01 0.00 0.00 57.07 56.77 3ade s TYR 520 Cb -0.15 -2.03 0.06 0.00 -0.11 0.00 0.00 41.96 39.73 3ade s TYR 520 CO 0.06 0.66 -0.05 0.00 -1.11 0.00 0.00 175.55 175.11 3ade s ALA 521 N -1.17 1.85 -0.11 3.71 0.00 0.51 -2.21 121.76 124.34 3ade s ALA 521 Ca 0.23 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 50.97 3ade s ALA 521 Cb -0.13 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.61 3ade s ALA 521 CO 0.12 -1.11 -0.19 0.00 0.00 0.00 0.00 175.76 174.57 3ade s ALA 522 N 1.45 2.37 0.00 0.00 0.00 -0.43 -0.91 121.76 124.23 3ade s ALA 522 Ca -0.04 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 50.97 3ade s ALA 522 Cb -0.18 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 21.98 3ade s ALA 522 CO -0.07 0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.40 3ade n GLY 523 N 3.41 1.18 0.00 0.00 0.00 -0.65 -1.19 105.19 107.94 3ade n GLY 523 Ca -0.18 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.21 3ade n GLY 523 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ade n GLY 524 N 0.00 -1.07 3.01 -0.02 0.00 -0.35 -4.56 105.19 102.20 3ade n GLY 524 Ca 0.00 -2.13 -0.26 0.00 0.00 0.00 0.00 46.02 43.63 3ade n GLY 524 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ade s TYR 525 N 0.00 1.54 -0.27 1.61 5.04 0.65 -0.22 117.35 125.72 3ade s TYR 525 Ca 0.00 -0.63 0.15 0.00 -2.44 0.00 0.00 57.07 54.14 3ade s TYR 525 Cb 0.00 -1.16 0.77 0.00 0.35 0.00 0.00 41.96 41.92 3ade s TYR 525 CO 0.00 -0.35 1.69 -0.40 -1.34 0.00 0.00 175.55 175.15 3ade n ASP 526 N 4.07 5.38 0.00 4.32 5.68 -1.23 -1.09 116.55 133.68 3ade n ASP 526 Ca -0.20 -2.93 0.00 0.00 -0.50 0.00 0.00 54.79 51.15 3ade n ASP 526 Cb 0.51 -0.66 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 3ade n ASP 526 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ade n GLY 527 N 0.43 1.65 0.36 6.12 0.00 -1.26 -4.78 105.19 107.71 3ade n GLY 527 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3ade n GLY 527 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3ade n GLN 528 N -2.00 0.00 -3.52 1.61 -0.06 -1.26 -5.12 117.38 107.03 3ade n GLN 528 Ca 0.00 0.00 -0.16 0.00 -2.00 0.00 0.00 57.00 54.84 3ade n GLN 528 Cb 0.00 -0.74 -0.05 0.00 -4.06 0.00 0.00 30.24 25.39 3ade n GLN 528 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 3ade s ASP 529 N -4.14 -0.60 0.38 1.69 2.15 -1.26 -5.14 116.67 109.76 3ade s ASP 529 Ca 0.00 0.48 -0.28 0.00 0.43 0.00 0.00 52.55 53.18 3ade s ASP 529 Cb 0.00 0.54 -0.10 0.00 -0.30 0.00 0.00 42.92 43.06 3ade s ASP 529 CO 0.00 -0.69 1.42 -1.10 -0.17 0.00 0.00 175.17 174.63 3ade s GLN 530 N -1.88 4.09 0.32 4.34 1.11 -1.26 -3.53 119.66 122.84 3ade s GLN 530 Ca -0.08 2.44 0.02 0.00 0.01 0.00 0.00 55.36 57.75 3ade s GLN 530 Cb -0.00 -2.93 -0.03 0.00 -1.01 0.00 0.00 33.01 29.04 3ade s GLN 530 CO 0.04 -0.50 0.49 -0.51 0.01 0.00 0.00 175.29 174.82 3ade s LEU 531 N -2.15 4.09 0.00 2.90 1.43 0.70 -4.59 118.68 121.06 3ade s LEU 531 Ca 0.53 0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 3ade s LEU 531 Cb -0.44 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 42.65 3ade s LEU 531 CO 0.59 -0.25 0.10 -0.46 0.23 0.00 0.00 176.35 176.56 3ade n ASN 532 N -1.67 0.20 -4.79 2.29 6.94 -1.26 0.24 115.26 117.21 3ade n ASN 532 Ca -0.06 -0.54 -0.35 0.00 -0.02 0.00 0.00 54.58 53.61 3ade n ASN 532 Cb 0.57 0.33 -0.04 0.00 -2.36 0.00 0.00 39.78 38.27 3ade n ASN 532 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3ade s SER 533 N -0.33 6.59 -0.05 0.53 1.04 -1.26 -0.55 113.70 119.67 3ade s SER 533 Ca 0.00 1.97 0.01 0.00 0.48 0.00 0.00 55.95 58.41 3ade s SER 533 Cb 0.00 -2.57 0.02 0.00 0.10 0.00 0.00 66.02 63.57 3ade s SER 533 CO 0.00 -0.61 -0.07 -0.69 0.98 0.00 0.00 173.24 172.85 3ade s VAL 534 N -1.83 0.73 0.07 5.02 1.01 -1.26 -1.64 120.40 122.50 3ade s VAL 534 Ca 0.62 -0.24 0.06 0.00 0.00 0.00 0.00 61.98 62.42 3ade s VAL 534 Cb -0.19 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 3ade s VAL 534 CO 0.23 0.27 -0.16 -1.83 0.00 0.00 0.00 175.10 173.61 3ade s GLU 535 N 0.82 0.97 0.04 2.72 -1.05 -0.09 -0.76 118.70 121.35 3ade s GLU 535 Ca -0.12 -0.95 0.08 0.00 -0.15 0.00 0.00 54.97 53.83 3ade s GLU 535 Cb -0.15 -1.05 -0.03 0.00 -0.44 0.00 0.00 34.13 32.47 3ade s GLU 535 CO 0.01 0.25 -0.22 -0.98 0.95 0.00 0.00 175.26 175.27 3ade s ARG 536 N -1.56 1.46 -0.20 -4.83 1.70 0.27 -0.36 118.95 115.43 3ade s ARG 536 Ca 0.02 -0.96 -0.08 0.00 -0.47 0.00 0.00 55.73 54.24 3ade s ARG 536 Cb -0.09 -1.58 -0.04 0.00 -0.57 0.00 0.00 34.95 32.67 3ade s ARG 536 CO 0.02 0.40 0.09 -0.47 -1.08 0.00 0.00 175.30 174.27 3ade s TYR 537 N -0.79 3.28 -0.41 5.89 5.04 0.37 -1.01 117.35 129.72 3ade s TYR 537 Ca 0.08 0.11 -0.18 0.00 -2.44 0.00 0.00 57.07 54.65 3ade s TYR 537 Cb -0.09 -2.13 0.02 0.00 0.35 0.00 0.00 41.96 40.11 3ade s TYR 537 CO 0.02 0.14 0.46 0.34 -1.34 0.00 0.00 175.55 175.16 3ade s ASP 538 N 0.54 6.21 0.32 4.32 -1.08 -0.43 -1.90 116.67 124.66 3ade s ASP 538 Ca 0.05 -0.57 0.07 0.00 -0.52 0.00 0.00 52.55 51.58 3ade s ASP 538 Cb -0.12 -2.23 0.77 0.00 -1.46 0.00 0.00 42.92 39.88 3ade s ASP 538 CO 0.01 -0.58 1.80 -0.37 0.52 0.00 0.00 175.17 176.54 3ade h VAL 539 N 5.72 0.73 0.37 1.11 -1.51 -1.89 1.34 116.25 122.12 3ade h VAL 539 Ca -0.27 -0.25 -0.02 0.00 -1.23 0.00 0.00 66.70 64.93 3ade h VAL 539 Cb 1.11 -0.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.20 3ade h VAL 539 CO 0.80 0.13 -0.18 -0.33 -1.23 0.00 0.00 177.57 176.76 3ade h GLU 540 N 0.74 -0.48 0.00 5.19 4.39 -1.92 -3.25 114.58 119.25 3ade h GLU 540 Ca 0.55 0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.29 3ade h GLU 540 Cb 0.90 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 3ade h GLU 540 CO -0.33 -0.32 0.00 0.25 -1.16 0.00 0.00 179.01 177.45 3ade n THR 541 N -3.93 0.78 -3.70 1.13 -2.24 -1.14 -4.92 114.28 100.26 3ade n THR 541 Ca -0.06 0.12 -0.25 0.00 -2.27 0.00 0.00 64.05 61.59 3ade n THR 541 Cb 0.20 -1.05 0.06 0.00 -2.10 0.00 0.00 70.33 67.44 3ade n THR 541 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ade n GLU 542 N -2.27 -6.85 -4.12 -0.78 1.02 0.46 -4.99 120.64 103.10 3ade n GLU 542 Ca 0.03 0.74 -0.11 0.00 -0.02 0.00 0.00 57.16 57.80 3ade n GLU 542 Cb 0.27 -5.71 -0.10 0.00 -0.02 0.00 0.00 31.44 25.88 3ade n GLU 542 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3ade s THR 543 N -3.34 0.60 0.12 2.62 -4.23 -1.21 -4.69 115.64 105.51 3ade s THR 543 Ca 0.52 -1.63 0.02 0.00 -1.18 0.00 0.00 61.69 59.43 3ade s THR 543 Cb -0.24 -1.30 -0.04 0.00 1.34 0.00 0.00 72.50 72.26 3ade s THR 543 CO 0.77 -0.72 0.21 0.26 -0.54 0.00 0.00 174.62 174.60 3ade s TRP 544 N -2.88 3.39 -0.09 3.99 0.52 -1.26 -1.31 118.94 121.31 3ade s TRP 544 Ca 0.04 0.12 -0.07 0.00 0.02 0.00 0.00 56.10 56.21 3ade s TRP 544 Cb 0.00 -1.66 0.03 0.00 -1.15 0.00 0.00 33.47 30.69 3ade s TRP 544 CO -0.03 0.54 0.22 0.99 0.02 0.00 0.00 176.95 178.69 3ade s THR 545 N -1.64 -0.01 0.28 2.01 2.01 -0.18 -4.93 115.64 113.18 3ade s THR 545 Ca 0.33 0.04 -0.29 0.00 0.31 0.00 0.00 61.69 62.09 3ade s THR 545 Cb -0.12 -0.32 -0.09 0.00 0.01 0.00 0.00 72.50 71.98 3ade s THR 545 CO 0.27 0.02 0.99 -0.36 -0.69 0.00 0.00 174.62 174.84 3ade s PHE 546 N 0.42 3.77 0.00 4.92 0.08 -1.26 -0.56 117.98 125.35 3ade s PHE 546 Ca -0.03 1.81 0.00 0.00 0.12 0.00 0.00 56.93 58.84 3ade s PHE 546 Cb -0.04 -3.06 0.00 0.00 -0.57 0.00 0.00 43.02 39.35 3ade s PHE 546 CO -0.02 0.07 0.00 1.33 -0.10 0.00 0.00 175.22 176.50 3ade n VAL 547 N 1.10 0.00 -1.84 -0.44 0.24 0.07 -4.93 118.33 112.52 3ade n VAL 547 Ca -0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.88 3ade n VAL 547 Cb 0.47 -0.18 -0.02 0.00 -1.47 0.00 0.00 33.84 32.65 3ade n VAL 547 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3ade s ALA 548 N -2.00 3.71 0.58 2.33 0.00 -1.26 -4.58 121.76 120.54 3ade s ALA 548 Ca 0.00 1.51 -0.14 0.00 0.00 0.00 0.00 51.96 53.33 3ade s ALA 548 Cb 0.00 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 3ade s ALA 548 CO 0.00 -0.93 1.02 -1.25 0.00 0.00 0.00 175.76 174.61 3ade s PRO 549 N -0.53 3.58 0.84 0.00 0.04 -1.26 -4.56 135.00 133.11 3ade s PRO 549 Ca 0.62 0.96 -0.11 0.00 0.04 0.00 0.00 61.00 62.51 3ade s PRO 549 Cb -0.46 -2.08 0.10 0.00 0.04 0.00 0.00 34.50 32.10 3ade s PRO 549 CO 0.47 -0.58 1.09 -1.64 0.04 0.00 0.00 177.00 176.38 3ade s MET 550 N -4.48 1.70 0.03 4.56 -1.94 0.29 -4.77 119.30 114.68 3ade s MET 550 Ca 0.59 0.85 -0.26 0.00 -1.71 0.00 0.00 55.69 55.16 3ade s MET 550 Cb -0.12 -1.86 -0.17 0.00 2.01 0.00 0.00 34.83 34.69 3ade s MET 550 CO 0.41 -1.94 1.39 0.00 -0.01 0.00 0.00 175.02 174.87 3ade h ARG 551 N -1.33 -0.34 -6.10 2.03 2.47 -1.93 -3.45 114.38 105.73 3ade h ARG 551 Ca -0.48 0.02 -0.59 0.00 -1.26 0.00 0.00 59.98 57.68 3ade h ARG 551 Cb 1.27 0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 29.62 3ade h ARG 551 CO 0.55 -0.06 -0.31 -1.01 0.56 0.00 0.00 179.97 179.69 3ade s HIS 552 N -5.09 3.52 0.26 3.04 3.76 -1.26 -5.06 115.29 114.46 3ade s HIS 552 Ca -0.15 0.61 -0.25 0.00 -0.15 0.00 0.00 55.06 55.12 3ade s HIS 552 Cb 0.03 -2.03 -0.09 0.00 1.11 0.00 0.00 32.58 31.60 3ade s HIS 552 CO 0.59 0.49 0.87 -1.01 -0.85 0.00 0.00 174.74 174.83 3ade s HIS 553 N -1.53 3.77 -0.28 1.40 3.76 -1.26 -4.58 115.29 116.56 3ade s HIS 553 Ca 0.37 1.70 -0.20 0.00 -0.15 0.00 0.00 55.06 56.77 3ade s HIS 553 Cb -0.13 -2.84 0.11 0.00 1.11 0.00 0.00 32.58 30.83 3ade s HIS 553 CO 0.22 0.33 0.87 -0.98 -0.85 0.00 0.00 174.74 174.32 3ade s ARG 554 N -1.75 0.59 0.29 1.40 1.70 0.14 -4.36 118.95 116.96 3ade s ARG 554 Ca 0.45 0.86 0.11 0.00 -0.47 0.00 0.00 55.73 56.67 3ade s ARG 554 Cb -0.20 0.21 -0.05 0.00 -0.57 0.00 0.00 34.95 34.34 3ade s ARG 554 CO 0.25 -0.10 -0.12 0.45 -1.08 0.00 0.00 175.30 174.70 3ade s SER 555 N 0.91 3.89 -1.38 -2.89 0.15 0.49 -1.21 113.70 113.66 3ade s SER 555 Ca -0.04 -0.94 -0.05 0.00 0.70 0.00 0.00 55.95 55.62 3ade s SER 555 Cb -0.05 -0.46 0.03 0.00 -1.71 0.00 0.00 66.02 63.83 3ade s SER 555 CO -0.11 -0.01 0.80 0.00 1.20 0.00 0.00 173.24 175.12 3ade n ALA 556 N -0.73 -1.76 -2.80 5.45 0.00 0.11 -0.75 120.51 120.02 3ade n ALA 556 Ca -0.05 -0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 3ade n ALA 556 Cb 0.60 -2.85 -0.04 0.00 0.00 0.00 0.00 19.45 17.17 3ade n ALA 556 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3ade s LEU 557 N -6.89 4.29 0.28 0.00 2.34 -1.25 -0.95 118.68 116.51 3ade s LEU 557 Ca 0.23 0.41 -0.18 0.00 0.06 0.00 0.00 54.13 54.65 3ade s LEU 557 Cb -0.11 -3.14 -0.09 0.00 -0.56 0.00 0.00 46.19 42.29 3ade s LEU 557 CO 0.82 0.07 0.76 -0.83 -1.06 0.00 0.00 176.35 176.11 3ade s GLY 558 N -2.67 2.50 0.09 -3.48 0.00 -0.61 -4.41 107.32 98.74 3ade s GLY 558 Ca 0.38 0.16 -0.10 0.00 0.00 0.00 0.00 44.72 45.16 3ade s GLY 558 CO 0.27 0.46 0.22 -1.50 0.00 0.00 0.00 173.10 172.54 3ade s ILE 559 N -1.76 0.13 -0.22 0.90 2.07 -1.26 -0.46 121.20 120.60 3ade s ILE 559 Ca 0.49 -1.11 -0.36 0.00 -1.41 0.00 0.00 60.65 58.26 3ade s ILE 559 Cb -0.14 -1.32 0.15 0.00 0.13 0.00 0.00 42.46 41.28 3ade s ILE 559 CO 0.19 -0.61 1.36 0.28 -1.91 0.00 0.00 174.94 174.26 3ade s THR 560 N -3.86 0.00 -0.06 4.00 -1.32 -0.70 -4.70 115.64 109.01 3ade s THR 560 Ca 0.05 -0.02 0.01 0.00 -1.21 0.00 0.00 61.69 60.52 3ade s THR 560 Cb 0.04 -1.26 -0.03 0.00 -1.51 0.00 0.00 72.50 69.75 3ade s THR 560 CO -0.11 0.00 -0.06 -0.69 -2.21 0.00 0.00 174.62 171.54 3ade s VAL 561 N -2.12 3.73 -0.20 5.08 1.01 -1.26 -0.62 120.40 126.03 3ade s VAL 561 Ca 0.12 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 3ade s VAL 561 Cb 0.01 -2.54 0.10 0.00 0.00 0.00 0.00 36.38 33.95 3ade s VAL 561 CO -0.04 0.58 0.38 -2.28 0.00 0.00 0.00 175.10 173.74 3ade s HIS 562 N -0.83 -0.73 -1.17 5.22 5.04 0.05 -4.92 115.29 117.95 3ade s HIS 562 Ca 0.13 1.21 -0.17 0.00 -1.54 0.00 0.00 55.06 54.69 3ade s HIS 562 Cb -0.11 0.15 -0.01 0.00 0.04 0.00 0.00 32.58 32.65 3ade s HIS 562 CO 0.02 -0.53 0.75 1.04 -2.34 0.00 0.00 174.74 173.69 3ade n GLN 563 N 5.38 -1.73 -1.52 2.88 6.02 -1.26 -2.26 117.38 124.89 3ade n GLN 563 Ca -0.07 0.48 -0.15 0.00 -0.01 0.00 0.00 57.00 57.25 3ade n GLN 563 Cb 0.50 -4.30 -0.06 0.00 1.02 0.00 0.00 30.24 27.40 3ade n GLN 563 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ade n GLY 564 N -1.69 1.33 3.09 1.08 0.00 -1.26 -5.00 105.19 102.75 3ade n GLY 564 Ca -0.13 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 3ade n GLY 564 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ade s LYS 565 N -3.41 0.62 -0.08 1.61 1.02 -0.96 -4.50 119.74 114.04 3ade s LYS 565 Ca 0.00 -0.81 -0.14 0.00 0.02 0.00 0.00 55.97 55.04 3ade s LYS 565 Cb 0.00 -0.46 -0.05 0.00 -0.52 0.00 0.00 37.83 36.80 3ade s LYS 565 CO 0.00 0.09 0.36 0.42 -0.92 0.00 0.00 175.35 175.30 3ade s ILE 566 N -1.32 5.19 -0.12 2.17 -1.09 -0.81 -0.77 121.20 124.45 3ade s ILE 566 Ca -0.07 0.71 0.02 0.00 -2.23 0.00 0.00 60.65 59.07 3ade s ILE 566 Cb -0.10 -3.68 0.01 0.00 -1.58 0.00 0.00 42.46 37.12 3ade s ILE 566 CO 0.01 0.48 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.71 3ade s TYR 567 N -0.27 2.19 -0.16 3.97 1.51 0.21 0.25 117.35 125.06 3ade s TYR 567 Ca 0.21 -1.07 -0.02 0.00 -1.01 0.00 0.00 57.07 55.18 3ade s TYR 567 Cb -0.15 -1.55 -0.01 0.00 -0.11 0.00 0.00 41.96 40.14 3ade s TYR 567 CO 0.09 -0.53 -0.09 0.14 -1.11 0.00 0.00 175.55 174.05 3ade s VAL 568 N 0.97 3.30 -0.11 0.71 -7.23 -0.66 -1.71 120.40 115.66 3ade s VAL 568 Ca -0.06 -0.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.56 3ade s VAL 568 Cb -0.15 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 3ade s VAL 568 CO -0.02 0.49 -0.13 -0.76 -0.31 0.00 0.00 175.10 174.37 3ade s LEU 569 N 0.71 2.76 0.00 1.32 1.02 0.39 -1.78 118.68 123.10 3ade s LEU 569 Ca -0.04 -0.28 0.00 0.00 0.02 0.00 0.00 54.13 53.83 3ade s LEU 569 Cb -0.15 -1.61 0.00 0.00 0.02 0.00 0.00 46.19 44.45 3ade s LEU 569 CO 0.02 0.21 0.00 0.61 0.02 0.00 0.00 176.35 177.21 3ade n GLY 570 N 3.25 1.12 0.00 -3.19 0.00 -1.00 -1.58 105.19 103.80 3ade n GLY 570 Ca -0.18 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3ade n GLY 570 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ade n GLY 571 N 0.00 0.11 3.28 -0.02 0.00 -0.37 -4.65 105.19 103.54 3ade n GLY 571 Ca 0.00 -2.30 -0.32 0.00 0.00 0.00 0.00 46.02 43.40 3ade n GLY 571 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ade s TYR 572 N -0.99 2.53 -2.00 1.61 5.04 0.07 -0.22 117.35 123.39 3ade s TYR 572 Ca 0.00 -0.77 0.17 0.00 -2.44 0.00 0.00 57.07 54.03 3ade s TYR 572 Cb 0.00 -1.66 0.18 0.00 0.35 0.00 0.00 41.96 40.83 3ade s TYR 572 CO 0.00 -0.25 1.08 -0.40 -1.34 0.00 0.00 175.55 174.65 3ade n ASP 573 N 3.13 2.54 0.00 4.32 3.85 -1.13 -0.38 116.55 128.87 3ade n ASP 573 Ca -0.18 -1.74 0.00 0.00 -0.71 0.00 0.00 54.79 52.16 3ade n ASP 573 Cb 0.52 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 40.24 3ade n ASP 573 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ade n GLY 574 N 0.96 0.71 0.00 6.12 0.00 -1.26 -4.61 105.19 107.11 3ade n GLY 574 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3ade n GLY 574 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3ade n HIS 575 N -1.54 0.00 -3.75 1.61 -0.00 -1.26 -5.11 115.22 105.17 3ade n HIS 575 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.62 3ade n HIS 575 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.93 3ade n HIS 575 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 3ade s THR 576 N -1.63 0.10 -0.39 3.57 -4.23 -1.26 -5.11 115.64 106.69 3ade s THR 576 Ca 0.00 -0.81 -0.24 0.00 -1.18 0.00 0.00 61.69 59.46 3ade s THR 576 Cb 0.00 -1.14 0.01 0.00 1.34 0.00 0.00 72.50 72.71 3ade s THR 576 CO 0.00 -0.45 0.83 -0.36 -0.54 0.00 0.00 174.62 174.11 3ade s PHE 577 N -3.37 3.07 0.60 3.99 0.40 -1.26 -2.85 117.98 118.56 3ade s PHE 577 Ca 0.01 0.54 -0.19 0.00 -0.60 0.00 0.00 56.93 56.69 3ade s PHE 577 Cb 0.02 -3.56 -0.03 0.00 0.51 0.00 0.00 43.02 39.96 3ade s PHE 577 CO -0.09 -0.83 1.21 -0.51 0.70 0.00 0.00 175.22 175.71 3ade s LEU 578 N 3.29 3.64 0.00 -0.37 1.43 0.69 -3.97 118.68 123.40 3ade s LEU 578 Ca 0.33 2.40 0.00 0.00 -1.03 0.00 0.00 54.13 55.84 3ade s LEU 578 Cb -0.12 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.50 3ade s LEU 578 CO 0.19 -1.65 0.12 -0.90 0.23 0.00 0.00 176.35 174.34 3ade n ASP 579 N -1.66 0.24 -4.77 2.29 5.75 -1.26 -1.98 116.55 115.16 3ade n ASP 579 Ca 0.14 -0.58 -0.38 0.00 -0.01 0.00 0.00 54.79 53.95 3ade n ASP 579 Cb 0.50 0.58 -0.01 0.00 -1.03 0.00 0.00 41.12 41.16 3ade n ASP 579 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3ade s SER 580 N -0.58 6.34 -0.19 -1.12 1.04 -1.26 -0.16 113.70 117.77 3ade s SER 580 Ca 0.00 2.45 0.01 0.00 0.48 0.00 0.00 55.95 58.88 3ade s SER 580 Cb 0.00 -2.62 0.04 0.00 0.10 0.00 0.00 66.02 63.54 3ade s SER 580 CO 0.00 -0.81 -0.10 -0.69 0.98 0.00 0.00 173.24 172.62 3ade s VAL 581 N -1.39 1.58 0.14 5.02 1.01 -0.62 -2.36 120.40 123.78 3ade s VAL 581 Ca 0.59 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.64 3ade s VAL 581 Cb -0.33 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 3ade s VAL 581 CO 0.41 0.19 0.29 -1.61 0.00 0.00 0.00 175.10 174.37 3ade s GLU 582 N 1.43 3.46 -0.07 2.72 2.02 -0.73 -0.93 118.70 126.59 3ade s GLU 582 Ca -0.01 -0.52 0.03 0.00 0.02 0.00 0.00 54.97 54.50 3ade s GLU 582 Cb -0.16 -2.96 0.01 0.00 0.10 0.00 0.00 34.13 31.12 3ade s GLU 582 CO -0.08 0.52 -0.14 0.00 0.02 0.00 0.00 175.26 175.57 3ade s TYR 584 N 0.52 3.12 -0.36 0.00 6.14 0.14 -1.56 117.35 125.34 3ade s TYR 584 Ca -0.14 -0.20 -0.04 0.00 0.64 0.00 0.00 57.07 57.33 3ade s TYR 584 Cb -0.15 -2.07 0.08 0.00 0.42 0.00 0.00 41.96 40.23 3ade s TYR 584 CO 0.04 -0.05 0.13 0.34 0.64 0.00 0.00 175.55 176.65 3ade s ASP 585 N 0.68 5.18 0.27 4.32 2.15 -0.83 -1.93 116.67 126.50 3ade s ASP 585 Ca 0.01 -1.60 -0.01 0.00 0.43 0.00 0.00 52.55 51.39 3ade s ASP 585 Cb -0.14 -1.81 0.51 0.00 -0.30 0.00 0.00 42.92 41.18 3ade s ASP 585 CO 0.02 -0.42 1.80 1.55 -0.17 0.00 0.00 175.17 177.95 3ade h PRO 586 N 8.09 0.78 -0.52 4.34 0.13 -1.88 0.28 132.00 143.22 3ade h PRO 586 Ca -0.18 -0.05 0.10 0.00 -0.87 0.00 0.00 66.00 65.01 3ade h PRO 586 Cb 1.06 -0.18 -0.10 0.00 0.13 0.00 0.00 31.00 31.91 3ade h PRO 586 CO 0.63 0.51 -0.20 -0.44 -0.23 0.00 0.00 178.00 178.28 3ade h ASP 587 N 0.80 -0.69 -0.13 1.44 3.32 -1.94 -1.84 116.42 117.38 3ade h ASP 587 Ca 0.46 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.69 3ade h ASP 587 Cb 0.53 0.40 0.00 0.00 0.22 0.00 0.00 39.33 40.48 3ade h ASP 587 CO -0.30 -0.23 0.00 -1.54 -1.72 0.00 0.00 179.24 175.45 3ade n SER 588 N -5.41 3.10 -3.96 6.45 3.41 -1.06 -4.99 113.62 111.17 3ade n SER 588 Ca 0.05 -1.98 -0.39 0.00 -0.26 0.00 0.00 58.87 56.29 3ade n SER 588 Cb 0.31 -0.07 0.01 0.00 -0.26 0.00 0.00 64.21 64.21 3ade n SER 588 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3ade n ASP 589 N 1.37 -3.74 -3.88 4.04 2.03 0.97 -4.97 116.55 112.37 3ade n ASP 589 Ca 0.15 -1.18 -0.11 0.00 0.52 0.00 0.00 54.79 54.17 3ade n ASP 589 Cb 0.59 -2.34 -0.10 0.00 -0.72 0.00 0.00 41.12 38.55 3ade n ASP 589 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3ade s THR 590 N -3.62 0.09 0.10 5.18 -4.23 -1.16 -4.57 115.64 107.42 3ade s THR 590 Ca 0.40 -0.71 0.04 0.00 -1.18 0.00 0.00 61.69 60.24 3ade s THR 590 Cb -0.19 -0.45 -0.04 0.00 1.34 0.00 0.00 72.50 73.16 3ade s THR 590 CO 0.93 -0.39 0.03 0.26 -0.54 0.00 0.00 174.62 174.91 3ade s TRP 591 N -1.45 3.06 -0.01 3.99 0.52 -1.26 -1.97 118.94 121.82 3ade s TRP 591 Ca -0.14 0.00 -0.06 0.00 0.02 0.00 0.00 56.10 55.92 3ade s TRP 591 Cb -0.07 -1.56 0.00 0.00 -1.15 0.00 0.00 33.47 30.69 3ade s TRP 591 CO 0.01 0.50 0.13 -1.12 0.02 0.00 0.00 176.95 176.49 3ade s SER 592 N -2.42 -0.02 -0.22 2.95 0.01 -0.60 -4.92 113.70 108.48 3ade s SER 592 Ca 0.27 -0.07 -0.26 0.00 1.31 0.00 0.00 55.95 57.20 3ade s SER 592 Cb -0.12 0.23 -0.00 0.00 0.21 0.00 0.00 66.02 66.34 3ade s SER 592 CO 0.20 -0.28 0.89 -1.61 0.41 0.00 0.00 173.24 172.85 3ade s GLU 593 N -0.97 4.23 -0.04 12.44 0.41 -1.26 0.21 118.70 133.71 3ade s GLU 593 Ca -0.11 1.07 0.17 0.00 -0.41 0.00 0.00 54.97 55.69 3ade s GLU 593 Cb -0.06 -3.63 -0.25 0.00 -1.78 0.00 0.00 34.13 28.41 3ade s GLU 593 CO 0.01 -0.51 0.33 1.33 -0.49 0.00 0.00 175.26 175.92 3ade n VAL 594 N 5.18 0.15 -3.97 2.63 0.24 -0.11 -4.96 118.33 117.50 3ade n VAL 594 Ca 0.07 -0.43 0.02 0.00 -2.04 0.00 0.00 64.34 61.97 3ade n VAL 594 Cb 0.47 0.01 0.01 0.00 -1.47 0.00 0.00 33.84 32.87 3ade n VAL 594 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3ade n THR 595 N -2.16 0.00 -4.24 3.34 5.66 -1.23 -5.03 114.28 110.63 3ade n THR 595 Ca -0.06 -0.09 -0.17 0.00 -3.05 0.00 0.00 64.05 60.68 3ade n THR 595 Cb 0.52 0.37 -0.14 0.00 -1.55 0.00 0.00 70.33 69.53 3ade n THR 595 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 3ade s ARG 596 N -2.01 0.60 0.67 1.09 0.52 -1.26 -1.59 118.95 116.97 3ade s ARG 596 Ca 0.20 -0.38 -0.13 0.00 -0.52 0.00 0.00 55.73 54.90 3ade s ARG 596 Cb -0.00 -0.55 0.00 0.00 0.52 0.00 0.00 34.95 34.91 3ade s ARG 596 CO -0.01 0.14 1.07 -1.64 0.02 0.00 0.00 175.30 174.89 3ade s MET 597 N -0.48 2.93 0.59 3.54 -1.94 0.78 -4.86 119.30 119.86 3ade s MET 597 Ca 0.01 1.13 0.31 0.00 -1.71 0.00 0.00 55.69 55.43 3ade s MET 597 Cb -0.04 -1.98 1.30 0.00 2.01 0.00 0.00 34.83 36.12 3ade s MET 597 CO -0.00 -1.12 1.64 1.79 -0.01 0.00 0.00 175.02 177.32 3ade h THR 598 N -0.29 0.20 -2.08 2.05 1.35 -2.01 -3.42 112.91 108.71 3ade h THR 598 Ca -0.45 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.46 3ade h THR 598 Cb 1.22 0.32 -0.18 0.00 -1.73 0.00 0.00 68.15 67.78 3ade h THR 598 CO 0.56 0.00 0.42 -0.94 -0.25 0.00 0.00 175.52 175.31 3ade s SER 599 N -4.44 -0.45 0.70 5.36 1.04 -1.26 -5.17 113.70 109.48 3ade s SER 599 Ca -0.04 0.26 -0.14 0.00 0.48 0.00 0.00 55.95 56.52 3ade s SER 599 Cb 0.17 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.72 3ade s SER 599 CO 0.58 -0.57 1.12 -0.83 0.98 0.00 0.00 173.24 174.51 3ade s GLY 600 N -1.84 2.07 -0.04 7.32 0.00 -1.26 -4.73 107.32 108.83 3ade s GLY 600 Ca -0.01 0.53 -0.31 0.00 0.00 0.00 0.00 44.72 44.94 3ade s GLY 600 CO -0.03 0.89 1.34 1.09 0.00 0.00 0.00 173.10 176.39 3ade s ARG 601 N -4.25 0.27 0.31 2.90 1.70 -0.84 -4.74 118.95 114.30 3ade s ARG 601 Ca 0.67 -0.16 0.04 0.00 -0.47 0.00 0.00 55.73 55.81 3ade s ARG 601 Cb -0.21 0.09 -0.03 0.00 -0.57 0.00 0.00 34.95 34.22 3ade s ARG 601 CO 0.45 -0.12 0.20 -1.54 -1.08 0.00 0.00 175.30 173.21 3ade s SER 602 N -3.18 1.52 -1.22 -2.89 1.04 -0.45 -1.24 113.70 107.28 3ade s SER 602 Ca 0.18 -1.63 -0.20 0.00 0.48 0.00 0.00 55.95 54.78 3ade s SER 602 Cb 0.05 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.64 3ade s SER 602 CO -0.04 -0.96 0.66 0.61 0.98 0.00 0.00 173.24 174.50 3ade n GLY 603 N -0.59 -0.77 3.58 7.32 0.00 -0.12 -0.01 105.19 114.60 3ade n GLY 603 Ca 0.03 0.36 -0.33 0.00 0.00 0.00 0.00 46.02 46.07 3ade n GLY 603 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ade s VAL 604 N -3.61 3.66 0.20 1.61 -7.23 -1.26 -2.15 120.40 111.62 3ade s VAL 604 Ca 0.37 -0.56 -0.30 0.00 -1.81 0.00 0.00 61.98 59.68 3ade s VAL 604 Cb -0.16 -2.52 -0.08 0.00 0.56 0.00 0.00 36.38 34.19 3ade s VAL 604 CO 0.90 0.55 0.97 -0.83 -0.31 0.00 0.00 175.10 176.38 3ade s GLY 605 N -0.96 3.06 0.04 2.32 0.00 -0.74 -4.40 107.32 106.64 3ade s GLY 605 Ca 0.14 0.65 0.05 0.00 0.00 0.00 0.00 44.72 45.55 3ade s GLY 605 CO 0.03 1.33 -0.14 0.14 0.00 0.00 0.00 173.10 174.46 3ade s VAL 606 N -0.78 1.10 0.06 1.40 1.01 -1.26 -0.97 120.40 120.95 3ade s VAL 606 Ca 0.44 -0.99 -0.27 0.00 0.00 0.00 0.00 61.98 61.16 3ade s VAL 606 Cb -0.26 -1.00 0.09 0.00 0.00 0.00 0.00 36.38 35.21 3ade s VAL 606 CO 0.32 0.01 0.87 0.00 0.00 0.00 0.00 175.10 176.30 3ade s ALA 607 N -0.84 -1.74 -0.05 5.51 0.00 -0.64 -4.31 121.76 119.68 3ade s ALA 607 Ca 0.01 0.71 0.05 0.00 0.00 0.00 0.00 51.96 52.73 3ade s ALA 607 Cb -0.08 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 3ade s ALA 607 CO 0.01 -0.79 -0.21 0.08 0.00 0.00 0.00 175.76 174.85 3ade s VAL 608 N -3.25 2.46 0.29 0.00 1.01 -1.26 0.05 120.40 119.71 3ade s VAL 608 Ca 0.06 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 60.92 3ade s VAL 608 Cb -0.01 -1.93 0.06 0.00 0.00 0.00 0.00 36.38 34.50 3ade s VAL 608 CO -0.06 0.57 0.88 0.28 0.00 0.00 0.00 175.10 176.77 3ade s THR 609 N -0.38 0.00 0.77 3.92 -1.32 -1.00 -4.77 115.64 112.86 3ade s THR 609 Ca 0.03 -0.84 -0.15 0.00 -1.21 0.00 0.00 61.69 59.53 3ade s THR 609 Cb -0.12 -2.71 0.02 0.00 -1.51 0.00 0.00 72.50 68.18 3ade s THR 609 CO 0.02 0.00 0.90 1.15 -2.21 0.00 0.00 174.62 174.48 3ade n MET 610 N -0.57 0.29 -2.47 7.08 -0.00 -1.26 -0.56 117.12 119.62 3ade n MET 610 Ca -0.06 0.16 -0.33 0.00 -0.00 0.00 0.00 57.70 57.46 3ade n MET 610 Cb 0.60 -2.18 -0.03 0.00 -0.00 0.00 0.00 33.22 31.61 3ade n MET 610 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 3ade s GLU 611 N -3.50 3.78 1.31 3.17 -1.05 -1.26 -4.66 118.70 116.49 3ade s GLU 611 Ca 0.70 1.26 -0.19 0.00 -0.15 0.00 0.00 54.97 56.59 3ade s GLU 611 Cb -0.32 -2.10 0.31 0.00 -0.44 0.00 0.00 34.13 31.59 3ade s GLU 611 CO 0.54 -0.44 0.74 -0.35 0.95 0.00 0.00 175.26 176.70 3ade n PRO 612 N -1.18 -3.69 -0.47 -4.83 -0.04 -1.26 -4.87 135.00 118.66 3ade n PRO 612 Ca 0.09 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.46 3ade n PRO 612 Cb 0.53 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 3ade n PRO 612 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46