#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2i9t s PRO 340 N 0.00 4.12 -0.06 1.61 0.02 -1.26 -4.76 135.00 134.67 2i9t s PRO 340 Ca 0.00 2.58 -0.26 0.00 0.02 0.00 0.00 61.00 63.33 2i9t s PRO 340 Cb 0.00 -3.03 0.06 0.00 0.02 0.00 0.00 34.50 31.55 2i9t s PRO 340 CO 0.00 -0.64 0.59 1.52 -0.33 0.00 0.00 177.00 178.14 2i9t s TYR 341 N 0.06 -0.55 0.13 6.54 -0.85 -1.10 -4.98 117.35 116.59 2i9t s TYR 341 Ca 0.64 1.00 -0.22 0.00 -0.52 0.00 0.00 57.07 57.97 2i9t s TYR 341 Cb -0.48 0.32 -0.07 0.00 0.38 0.00 0.00 41.96 42.11 2i9t s TYR 341 CO 0.47 -0.53 0.66 -1.17 -1.52 0.00 0.00 175.55 173.47 2i9t s LEU 342 N -1.04 4.53 -0.02 -3.49 1.98 -1.26 -0.75 118.68 118.63 2i9t s LEU 342 Ca -0.10 1.42 0.02 0.00 -2.89 0.00 0.00 54.13 52.58 2i9t s LEU 342 Cb -0.02 -3.13 0.00 0.00 0.66 0.00 0.00 46.19 43.71 2i9t s LEU 342 CO 0.08 0.22 -0.07 -1.58 -1.89 0.00 0.00 176.35 173.11 2i9t s GLN 343 N -1.23 0.70 -0.44 1.98 0.74 -0.16 -4.96 119.66 116.29 2i9t s GLN 343 Ca 0.33 -0.23 -0.23 0.00 0.05 0.00 0.00 55.36 55.28 2i9t s GLN 343 Cb -0.21 -0.68 0.02 0.00 1.10 0.00 0.00 33.01 33.25 2i9t s GLN 343 CO 0.22 0.10 0.79 0.42 -0.55 0.00 0.00 175.29 176.27 2i9t s ILE 344 N 0.12 4.65 -0.07 -2.34 1.01 -1.26 -0.45 121.20 122.86 2i9t s ILE 344 Ca -0.01 0.51 -0.15 0.00 0.00 0.00 0.00 60.65 61.00 2i9t s ILE 344 Cb -0.06 -4.31 -0.11 0.00 0.01 0.00 0.00 42.46 37.99 2i9t s ILE 344 CO -0.00 -0.68 0.57 -0.07 0.00 0.00 0.00 174.94 174.76 2i9t h LEU 345 N 10.09 -0.20 -8.06 2.97 4.07 0.94 -3.45 115.31 121.68 2i9t h LEU 345 Ca -0.25 -0.22 -0.62 0.00 0.08 0.00 0.00 57.88 56.87 2i9t h LEU 345 Cb 1.09 0.05 -0.34 0.00 1.08 0.00 0.00 40.66 42.53 2i9t h LEU 345 CO 0.96 0.35 -0.85 -1.61 -1.08 0.00 0.00 178.44 176.21 2i9t s GLU 346 N -2.80 2.51 0.82 1.13 8.01 -0.51 -4.92 118.70 122.95 2i9t s GLU 346 Ca -0.09 -0.66 -0.11 0.00 0.01 0.00 0.00 54.97 54.12 2i9t s GLU 346 Cb 0.00 -2.10 0.08 0.00 -4.31 0.00 0.00 34.13 27.80 2i9t s GLU 346 CO 0.31 -0.07 1.09 -0.65 0.01 0.00 0.00 175.26 175.95 2i9t s GLN 347 N 0.98 1.87 0.87 1.61 -1.52 -1.26 -1.46 119.66 120.75 2i9t s GLN 347 Ca -0.05 0.83 -0.11 0.00 -1.95 0.00 0.00 55.36 54.07 2i9t s GLN 347 Cb -0.15 -1.88 0.12 0.00 -0.22 0.00 0.00 33.01 30.88 2i9t s GLN 347 CO -0.03 -1.81 1.10 -2.14 -0.25 0.00 0.00 175.29 172.16 2i9t s PRO 348 N -5.02 1.41 0.00 2.91 0.02 -1.26 0.39 135.00 133.45 2i9t s PRO 348 Ca 0.62 1.13 0.00 0.00 0.02 0.00 0.00 61.00 62.77 2i9t s PRO 348 Cb -0.16 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.56 2i9t s PRO 348 CO 0.56 -2.22 0.87 1.17 -0.33 0.00 0.00 177.00 177.05 2i9t n LYS 349 N -3.91 0.00 0.00 5.54 3.00 0.92 -3.63 118.16 120.08 2i9t n LYS 349 Ca 0.09 0.53 0.00 0.00 -0.00 0.00 0.00 58.31 58.92 2i9t n LYS 349 Cb 0.54 -1.37 0.00 0.00 0.00 0.00 0.00 35.03 34.19 2i9t n LYS 349 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2i9t n GLN 350 N -1.89 0.00 -4.10 1.64 7.27 -1.26 -4.61 117.38 114.42 2i9t n GLN 350 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 56.93 2i9t n GLN 350 Cb 0.00 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 32.53 2i9t n GLN 350 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2i9t s ARG 351 N 0.00 0.58 0.00 3.69 0.52 -1.26 0.08 118.95 122.55 2i9t s ARG 351 Ca 0.00 -0.71 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 2i9t s ARG 351 Cb 0.00 -0.41 0.00 0.00 0.52 0.00 0.00 34.95 35.06 2i9t s ARG 351 CO 0.00 0.09 0.00 0.41 0.02 0.00 0.00 175.30 175.82 2i9t n GLY 352 N 1.65 0.90 3.14 -3.53 0.00 -1.26 -5.03 105.19 101.06 2i9t n GLY 352 Ca -0.21 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 2i9t n GLY 352 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2i9t s PHE 353 N -2.00 2.77 0.01 1.61 5.36 -1.26 -4.91 117.98 119.56 2i9t s PHE 353 Ca 0.00 -1.54 -0.20 0.00 -0.96 0.00 0.00 56.93 54.23 2i9t s PHE 353 Cb 0.00 -1.91 -0.06 0.00 -0.34 0.00 0.00 43.02 40.71 2i9t s PHE 353 CO 0.00 -0.75 0.57 -0.98 -1.46 0.00 0.00 175.22 172.60 2i9t s ARG 354 N 1.21 4.26 0.62 10.12 1.70 -1.26 -2.14 118.95 133.46 2i9t s ARG 354 Ca 0.03 0.70 -0.13 0.00 -0.47 0.00 0.00 55.73 55.86 2i9t s ARG 354 Cb -0.14 -3.31 -0.03 0.00 -0.57 0.00 0.00 34.95 30.90 2i9t s ARG 354 CO -0.10 0.45 1.04 -0.06 -1.08 0.00 0.00 175.30 175.55 2i9t s PHE 355 N -0.47 3.34 -0.05 5.89 0.40 -1.26 -4.88 117.98 120.96 2i9t s PHE 355 Ca 0.30 1.40 0.02 0.00 -0.60 0.00 0.00 56.93 58.04 2i9t s PHE 355 Cb -0.18 -2.83 0.01 0.00 0.51 0.00 0.00 43.02 40.54 2i9t s PHE 355 CO 0.17 -0.88 -0.08 1.03 0.70 0.00 0.00 175.22 176.16 2i9t s ARG 356 N -4.79 1.11 0.64 0.44 1.81 -0.94 -4.86 118.95 112.35 2i9t s ARG 356 Ca 0.58 -0.24 -0.15 0.00 -1.72 0.00 0.00 55.73 54.20 2i9t s ARG 356 Cb -0.13 -1.01 -0.01 0.00 -0.45 0.00 0.00 34.95 33.35 2i9t s ARG 356 CO 0.48 -0.00 1.08 0.71 -0.68 0.00 0.00 175.30 176.89 2i9t s TYR 357 N 0.66 2.82 0.23 -0.53 1.51 -1.26 -1.09 117.35 119.69 2i9t s TYR 357 Ca -0.11 1.52 -0.06 0.00 -1.01 0.00 0.00 57.07 57.42 2i9t s TYR 357 Cb -0.13 -3.07 0.41 0.00 -0.11 0.00 0.00 41.96 39.06 2i9t s TYR 357 CO 0.01 -1.41 1.71 -0.24 -1.11 0.00 0.00 175.55 174.51 2i9t h VAL 358 N 0.08 0.60 -0.11 0.71 3.04 -1.92 -0.20 116.25 118.46 2i9t h VAL 358 Ca -0.46 -0.11 0.03 0.00 -1.01 0.00 0.00 66.70 65.14 2i9t h VAL 358 Cb 1.23 0.24 -0.00 0.00 -2.01 0.00 0.00 31.29 30.75 2i9t h VAL 358 CO 0.56 0.06 0.17 0.00 -1.01 0.00 0.00 177.57 177.35 2i9t n GLU 360 N -3.53 0.10 -0.58 0.00 1.02 -0.09 -5.04 120.64 112.52 2i9t n GLU 360 Ca -0.00 0.07 0.08 0.00 -0.02 0.00 0.00 57.16 57.29 2i9t n GLU 360 Cb 0.27 -1.61 -0.02 0.00 -0.02 0.00 0.00 31.44 30.06 2i9t n GLU 360 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2i9t n GLY 361 N 1.43 -2.09 0.00 0.62 0.00 -0.21 -4.96 105.19 99.98 2i9t n GLY 361 Ca 0.06 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2i9t n GLY 361 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2i9t n PRO 362 N -2.29 3.01 -2.78 1.61 -0.04 -1.26 -4.77 135.00 128.48 2i9t n PRO 362 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.25 2i9t n PRO 362 Cb 0.26 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.74 2i9t n PRO 362 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2i9t n SER 363 N 0.00 -5.94 -0.00 3.54 3.41 -1.26 -4.89 113.62 108.48 2i9t n SER 363 Ca 0.00 -0.17 0.06 0.00 -0.26 0.00 0.00 58.87 58.49 2i9t n SER 363 Cb 0.00 -4.86 -0.07 0.00 -0.26 0.00 0.00 64.21 59.02 2i9t n SER 363 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2i9t n HIS 364 N -4.28 0.00 0.00 7.33 8.25 -1.26 -5.09 115.22 120.17 2i9t n HIS 364 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2i9t n HIS 364 Cb 0.64 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.74 2i9t n HIS 364 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2i9t n GLY 365 N 1.30 4.37 3.52 -1.41 0.00 -1.26 -5.09 105.19 106.62 2i9t n GLY 365 Ca 0.02 -1.15 -0.28 0.00 0.00 0.00 0.00 46.02 44.60 2i9t n GLY 365 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i9t s GLY 366 N 0.00 1.72 0.02 -0.02 0.00 -1.26 -4.64 107.32 103.14 2i9t s GLY 366 Ca 0.00 -1.41 -0.30 0.00 0.00 0.00 0.00 44.72 43.01 2i9t s GLY 366 CO 0.00 -1.40 1.75 1.08 0.00 0.00 0.00 173.10 174.52 2i9t s LEU 367 N -2.42 4.37 0.35 0.66 1.43 0.14 -4.81 118.68 118.41 2i9t s LEU 367 Ca 0.21 2.47 -0.10 0.00 -1.03 0.00 0.00 54.13 55.68 2i9t s LEU 367 Cb -0.10 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.51 2i9t s LEU 367 CO 0.12 -0.95 0.69 -2.16 0.23 0.00 0.00 176.35 174.28 2i9t s PRO 368 N 3.58 3.79 0.76 1.29 0.04 -1.26 -4.57 135.00 138.63 2i9t s PRO 368 Ca 0.78 0.38 -0.11 0.00 0.04 0.00 0.00 61.00 62.10 2i9t s PRO 368 Cb -0.39 -2.48 0.05 0.00 0.04 0.00 0.00 34.50 31.72 2i9t s PRO 368 CO 0.34 0.09 1.08 0.20 0.04 0.00 0.00 177.00 178.75 2i9t s GLY 369 N -2.92 1.67 0.10 0.56 0.00 -0.93 -0.05 107.32 105.75 2i9t s GLY 369 Ca 0.50 0.19 0.06 0.00 0.00 0.00 0.00 44.72 45.47 2i9t s GLY 369 CO 0.27 0.54 1.20 0.00 0.00 0.00 0.00 173.10 175.11 2i9t n ALA 370 N -3.44 1.01 0.81 3.20 0.00 0.16 -1.49 120.51 120.76 2i9t n ALA 370 Ca 0.08 0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.70 2i9t n ALA 370 Cb 0.53 -1.09 0.11 0.00 0.00 0.00 0.00 19.45 19.01 2i9t n ALA 370 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2i9t n SER 371 N -1.73 2.96 -3.46 0.00 3.41 -1.26 -4.92 113.62 108.62 2i9t n SER 371 Ca -0.00 -1.94 -0.39 0.00 -0.26 0.00 0.00 58.87 56.27 2i9t n SER 371 Cb 0.01 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 63.89 2i9t n SER 371 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2i9t n SER 372 N 1.29 -0.79 -3.05 4.04 3.41 -0.55 -4.73 113.62 113.23 2i9t n SER 372 Ca 0.14 0.89 -0.16 0.00 -0.26 0.00 0.00 58.87 59.47 2i9t n SER 372 Cb 0.56 -0.74 -0.05 0.00 -0.26 0.00 0.00 64.21 63.73 2i9t n SER 372 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2i9t n GLU 373 N 0.86 0.75 0.00 4.33 4.71 0.88 -4.91 120.64 127.25 2i9t n GLU 373 Ca 0.14 -2.21 0.00 0.00 -0.01 0.00 0.00 57.16 55.08 2i9t n GLU 373 Cb 0.17 1.15 0.00 0.00 -1.01 0.00 0.00 31.44 31.75 2i9t n GLU 373 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2i9t n LYS 374 N -0.60 0.00 0.10 3.49 5.02 -1.26 -3.95 118.16 120.96 2i9t n LYS 374 Ca -0.04 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.22 2i9t n LYS 374 Cb 0.39 -0.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.96 2i9t n LYS 374 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 2i9t h ASN 375 N 0.00 0.00 -3.24 4.39 -0.26 -2.03 -3.44 115.58 110.99 2i9t h ASN 375 Ca 0.00 0.00 -0.58 0.00 -0.56 0.00 0.00 56.30 55.16 2i9t h ASN 375 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.21 2i9t h ASN 375 CO 0.00 0.75 -0.05 -0.54 -1.06 0.00 0.00 177.43 176.53 2i9t s LYS 376 N -2.99 4.22 -0.03 0.81 1.02 -1.25 -5.08 119.74 116.43 2i9t s LYS 376 Ca 0.01 0.68 0.07 0.00 0.02 0.00 0.00 55.97 56.75 2i9t s LYS 376 Cb 0.10 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 34.10 2i9t s LYS 376 CO 0.78 0.51 -0.24 0.15 -0.92 0.00 0.00 175.35 175.62 2i9t s LYS 377 N -0.63 2.26 0.10 1.68 1.02 -1.26 -0.08 119.74 122.82 2i9t s LYS 377 Ca 0.29 -0.89 0.01 0.00 0.02 0.00 0.00 55.97 55.39 2i9t s LYS 377 Cb -0.18 -2.11 0.01 0.00 -0.52 0.00 0.00 37.83 35.02 2i9t s LYS 377 CO 0.17 0.53 0.05 -1.13 -0.92 0.00 0.00 175.35 174.05 2i9t n SER 378 N 2.54 1.64 -3.63 2.83 3.41 -1.26 -4.90 113.62 114.24 2i9t n SER 378 Ca -0.16 -1.37 -0.04 0.00 -0.26 0.00 0.00 58.87 57.04 2i9t n SER 378 Cb 0.51 0.02 -0.01 0.00 -0.26 0.00 0.00 64.21 64.47 2i9t n SER 378 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2i9t s TYR 379 N -0.78 -0.17 0.26 7.33 -0.85 -1.26 -2.18 117.35 119.70 2i9t s TYR 379 Ca 0.04 -0.01 -0.30 0.00 -0.52 0.00 0.00 57.07 56.28 2i9t s TYR 379 Cb -0.00 0.57 -0.13 0.00 0.38 0.00 0.00 41.96 42.78 2i9t s TYR 379 CO 0.02 -0.53 1.32 -2.30 -1.52 0.00 0.00 175.55 172.54 2i9t n PRO 380 N -0.35 1.92 -3.78 -3.49 -0.02 -1.24 -4.35 135.00 123.69 2i9t n PRO 380 Ca -0.06 0.68 -0.14 0.00 -2.02 0.00 0.00 63.50 61.96 2i9t n PRO 380 Cb 0.61 -2.28 -0.15 0.00 -0.02 0.00 0.00 33.50 31.67 2i9t n PRO 380 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2i9t s GLN 381 N -0.89 0.04 0.41 -0.52 0.74 -0.54 -1.14 119.66 117.76 2i9t s GLN 381 Ca 0.64 0.24 0.04 0.00 0.05 0.00 0.00 55.36 56.34 2i9t s GLN 381 Cb -0.65 -0.15 -0.05 0.00 1.10 0.00 0.00 33.01 33.26 2i9t s GLN 381 CO 0.54 -0.13 0.04 0.14 -0.55 0.00 0.00 175.29 175.33 2i9t s VAL 382 N 0.87 1.38 -0.23 1.34 -7.23 -0.60 0.14 120.40 116.06 2i9t s VAL 382 Ca -0.07 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 57.95 2i9t s VAL 382 Cb -0.09 -2.66 0.07 0.00 0.56 0.00 0.00 36.38 34.26 2i9t s VAL 382 CO -0.03 0.00 0.58 -0.75 -0.31 0.00 0.00 175.10 174.59 2i9t s LYS 383 N -3.80 0.60 -0.29 4.82 2.20 0.40 -2.57 119.74 121.11 2i9t s LYS 383 Ca 0.27 1.02 -0.19 0.00 -0.36 0.00 0.00 55.97 56.71 2i9t s LYS 383 Cb 0.07 0.12 -0.02 0.00 -1.51 0.00 0.00 37.83 36.49 2i9t s LYS 383 CO 0.13 -0.14 0.56 0.42 -0.36 0.00 0.00 175.35 175.96 2i9t s ILE 384 N 1.33 5.01 0.18 5.43 1.01 -0.93 -0.99 121.20 132.25 2i9t s ILE 384 Ca -0.08 0.81 -0.14 0.00 0.00 0.00 0.00 60.65 61.24 2i9t s ILE 384 Cb -0.06 -3.91 -0.07 0.00 0.01 0.00 0.00 42.46 38.43 2i9t s ILE 384 CO -0.14 -0.04 0.58 0.00 0.00 0.00 0.00 174.94 175.34 2i9t n ASN 386 N 0.52 -3.10 -2.48 0.00 3.02 -1.26 -2.72 115.26 109.23 2i9t n ASN 386 Ca -0.03 -0.78 -0.23 0.00 -0.03 0.00 0.00 54.58 53.51 2i9t n ASN 386 Cb 0.52 -4.09 0.02 0.00 -0.61 0.00 0.00 39.78 35.62 2i9t n ASN 386 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2i9t n TYR 387 N -4.50 -1.76 -3.39 3.10 4.11 -1.25 -4.46 117.16 109.01 2i9t n TYR 387 Ca -0.13 0.25 -0.27 0.00 -0.00 0.00 0.00 57.90 57.75 2i9t n TYR 387 Cb 0.61 -0.87 -0.10 0.00 -0.00 0.00 0.00 39.34 38.97 2i9t n TYR 387 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.86 177.00 2i9t s VAL 388 N -1.24 0.20 0.00 -3.48 -7.23 -1.26 -5.02 120.40 102.37 2i9t s VAL 388 Ca 0.23 -2.22 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 2i9t s VAL 388 Cb -0.00 -1.14 0.00 0.00 0.56 0.00 0.00 36.38 35.79 2i9t s VAL 388 CO 0.45 -1.10 0.00 0.61 -0.31 0.00 0.00 175.10 174.76 2i9t n GLY 389 N 3.30 1.92 3.69 2.32 0.00 -1.26 -4.08 105.19 111.08 2i9t n GLY 389 Ca 0.23 0.54 -0.35 0.00 0.00 0.00 0.00 46.02 46.44 2i9t n GLY 389 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2i9t s PRO 390 N 0.00 3.90 0.14 1.61 0.04 -1.26 -4.55 135.00 134.88 2i9t s PRO 390 Ca 0.00 -0.29 0.05 0.00 0.04 0.00 0.00 61.00 60.80 2i9t s PRO 390 Cb 0.00 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 2i9t s PRO 390 CO 0.00 0.37 -0.12 0.00 0.04 0.00 0.00 177.00 177.29 2i9t s ALA 391 N 0.12 1.47 -0.19 8.56 0.00 -0.93 -4.26 121.76 126.52 2i9t s ALA 391 Ca 0.06 -1.40 -0.07 0.00 0.00 0.00 0.00 51.96 50.55 2i9t s ALA 391 Cb -0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 2i9t s ALA 391 CO 0.00 -0.01 0.05 0.21 0.00 0.00 0.00 175.76 176.01 2i9t s LYS 392 N -3.27 3.92 -0.11 0.00 2.36 0.01 -2.10 119.74 120.55 2i9t s LYS 392 Ca 0.13 -0.37 0.02 0.00 -2.55 0.00 0.00 55.97 53.20 2i9t s LYS 392 Cb -0.01 -3.20 0.01 0.00 -1.05 0.00 0.00 37.83 33.58 2i9t s LYS 392 CO 0.02 0.22 -0.18 0.08 1.55 0.00 0.00 175.35 177.04 2i9t s VAL 393 N 0.50 1.71 0.22 4.02 1.01 -0.95 0.52 120.40 127.43 2i9t s VAL 393 Ca 0.03 -0.78 0.11 0.00 0.00 0.00 0.00 61.98 61.34 2i9t s VAL 393 Cb -0.13 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 2i9t s VAL 393 CO 0.01 0.48 -0.22 0.27 0.00 0.00 0.00 175.10 175.64 2i9t s ILE 394 N 0.79 2.45 -0.03 2.22 -4.36 -0.04 -1.01 121.20 121.22 2i9t s ILE 394 Ca -0.10 -2.12 0.01 0.00 -0.26 0.00 0.00 60.65 58.18 2i9t s ILE 394 Cb -0.16 -2.21 0.02 0.00 1.25 0.00 0.00 42.46 41.37 2i9t s ILE 394 CO 0.01 -0.20 -0.01 0.54 0.24 0.00 0.00 174.94 175.52 2i9t s VAL 395 N -1.92 0.22 0.31 8.37 0.11 -0.68 -0.77 120.40 126.03 2i9t s VAL 395 Ca 0.24 0.05 0.06 0.00 -2.93 0.00 0.00 61.98 59.40 2i9t s VAL 395 Cb -0.07 -0.30 -0.06 0.00 -1.53 0.00 0.00 36.38 34.42 2i9t s VAL 395 CO 0.12 0.15 -0.02 0.00 -3.33 0.00 0.00 175.10 172.02 2i9t s GLN 396 N 0.94 1.64 -0.09 1.54 -2.07 -0.36 -2.13 119.66 119.14 2i9t s GLN 396 Ca -0.10 -1.86 -0.13 0.00 -1.82 0.00 0.00 55.36 51.44 2i9t s GLN 396 Cb -0.13 -1.15 -0.05 0.00 -1.09 0.00 0.00 33.01 30.59 2i9t s GLN 396 CO -0.01 -0.03 0.33 -0.51 -1.32 0.00 0.00 175.29 173.74 2i9t s LEU 397 N -3.49 4.36 0.12 2.60 1.43 -1.26 -0.44 118.68 122.00 2i9t s LEU 397 Ca 0.32 0.71 0.02 0.00 -1.03 0.00 0.00 54.13 54.15 2i9t s LEU 397 Cb 0.06 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 2i9t s LEU 397 CO 0.14 0.24 -0.06 0.68 0.23 0.00 0.00 176.35 177.58 2i9t s VAL 398 N -0.40 0.76 1.13 -1.59 -7.23 0.33 -1.84 120.40 111.56 2i9t s VAL 398 Ca 0.20 -1.96 -0.17 0.00 -1.81 0.00 0.00 61.98 58.24 2i9t s VAL 398 Cb -0.14 -1.78 0.25 0.00 0.56 0.00 0.00 36.38 35.27 2i9t s VAL 398 CO 0.08 -0.79 1.10 0.42 -0.31 0.00 0.00 175.10 175.60 2i9t s THR 399 N -3.58 1.76 -0.41 5.32 -4.23 0.79 -1.23 115.64 114.05 2i9t s THR 399 Ca 0.15 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.77 2i9t s THR 399 Cb 0.05 -2.47 0.30 0.00 1.34 0.00 0.00 72.50 71.72 2i9t s THR 399 CO -0.02 0.00 1.23 -3.20 -0.54 0.00 0.00 174.62 172.09 2i9t n ASN 400 N -4.57 2.91 -4.45 3.99 4.05 -1.26 -4.54 115.26 111.38 2i9t n ASN 400 Ca 0.10 -2.43 -0.28 0.00 0.45 0.00 0.00 54.58 52.41 2i9t n ASN 400 Cb 0.59 -0.30 0.14 0.00 1.23 0.00 0.00 39.78 41.44 2i9t n ASN 400 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 2i9t s GLY 401 N -1.52 1.73 0.15 8.20 0.00 -1.26 -4.97 107.32 109.65 2i9t s GLY 401 Ca 0.25 -1.13 -0.18 0.00 0.00 0.00 0.00 44.72 43.66 2i9t s GLY 401 CO 0.09 -0.49 1.71 1.70 0.00 0.00 0.00 173.10 176.11 2i9t h LYS 402 N -1.25 0.08 -5.09 2.90 1.63 -2.02 -3.30 116.57 109.52 2i9t h LYS 402 Ca -0.44 -0.01 -0.66 0.00 -0.85 0.00 0.00 60.65 58.70 2i9t h LYS 402 Cb 1.27 -0.02 -0.17 0.00 -0.60 0.00 0.00 32.23 32.71 2i9t h LYS 402 CO 0.47 0.06 0.34 -0.80 -3.45 0.00 0.00 179.45 176.06 2i9t s ASN 403 N -5.25 6.18 0.10 4.20 0.01 -1.26 -5.00 114.94 113.92 2i9t s ASN 403 Ca -0.13 -1.19 -0.31 0.00 -0.71 0.00 0.00 52.86 50.51 2i9t s ASN 403 Cb 0.12 -2.36 -0.11 0.00 0.41 0.00 0.00 41.25 39.31 2i9t s ASN 403 CO 0.70 -1.28 1.85 -0.38 -1.51 0.00 0.00 177.10 176.47 2i9t n ILE 404 N 5.75 0.41 -4.51 0.60 5.41 -1.24 -4.92 119.36 120.85 2i9t n ILE 404 Ca -0.06 -0.07 -0.25 0.00 1.00 0.00 0.00 62.75 63.36 2i9t n ILE 404 Cb 0.44 -2.11 -0.08 0.00 -0.71 0.00 0.00 39.64 37.17 2i9t n ILE 404 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2i9t s HIS 405 N 2.94 1.81 0.24 1.39 3.76 -1.26 -3.98 115.29 120.19 2i9t s HIS 405 Ca 0.83 -1.23 -0.30 0.00 -0.15 0.00 0.00 55.06 54.21 2i9t s HIS 405 Cb -0.50 -1.19 -0.09 0.00 1.11 0.00 0.00 32.58 31.92 2i9t s HIS 405 CO 0.39 -0.24 1.07 -0.51 -0.85 0.00 0.00 174.74 174.60 2i9t s LEU 406 N -3.60 4.55 0.37 0.89 1.43 -1.20 -0.15 118.68 120.97 2i9t s LEU 406 Ca 0.25 2.16 -0.02 0.00 -1.03 0.00 0.00 54.13 55.49 2i9t s LEU 406 Cb 0.03 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 2i9t s LEU 406 CO 0.14 -0.12 0.61 -2.28 0.23 0.00 0.00 176.35 174.93 2i9t s HIS 407 N -0.88 3.51 -0.06 0.29 5.65 -0.77 -4.57 115.29 118.47 2i9t s HIS 407 Ca 0.45 0.52 0.13 0.00 0.25 0.00 0.00 55.06 56.41 2i9t s HIS 407 Cb -0.30 -2.03 -0.08 0.00 -1.18 0.00 0.00 32.58 28.98 2i9t s HIS 407 CO 0.38 0.03 1.19 0.00 -0.65 0.00 0.00 174.74 175.69 2i9t h ALA 408 N 0.78 0.59 -2.04 1.58 0.00 -1.92 -3.46 119.26 114.78 2i9t h ALA 408 Ca -0.49 -0.77 -0.41 0.00 0.00 0.00 0.00 54.91 53.25 2i9t h ALA 408 Cb 1.21 0.03 0.20 0.00 0.00 0.00 0.00 17.79 19.22 2i9t h ALA 408 CO 0.62 0.96 0.05 -1.01 0.00 0.00 0.00 179.25 179.88 2i9t s HIS 409 N -2.84 0.38 -0.01 0.00 3.76 -1.26 -4.75 115.29 110.55 2i9t s HIS 409 Ca 0.01 0.62 -0.04 0.00 -0.15 0.00 0.00 55.06 55.49 2i9t s HIS 409 Cb 0.09 -3.25 0.00 0.00 1.11 0.00 0.00 32.58 30.53 2i9t s HIS 409 CO 0.79 -4.13 0.09 -1.12 -0.85 0.00 0.00 174.74 169.52 2i9t s SER 410 N -3.52 0.01 -0.00 1.40 0.01 -1.04 -4.90 113.70 105.65 2i9t s SER 410 Ca 0.70 -0.08 -0.30 0.00 1.31 0.00 0.00 55.95 57.58 2i9t s SER 410 Cb -0.13 0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.26 2i9t s SER 410 CO 0.57 -0.20 1.00 -0.76 0.41 0.00 0.00 173.24 174.27 2i9t s LEU 411 N -0.73 4.36 0.21 2.44 1.43 -1.04 -0.60 118.68 124.75 2i9t s LEU 411 Ca -0.08 1.68 0.05 0.00 -1.03 0.00 0.00 54.13 54.75 2i9t s LEU 411 Cb -0.05 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 2i9t s LEU 411 CO 0.00 -0.30 -0.05 0.68 0.23 0.00 0.00 176.35 176.91 2i9t s VAL 412 N 1.11 1.20 -1.69 -1.59 -7.23 0.12 -4.29 120.40 108.03 2i9t s VAL 412 Ca 0.52 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 2i9t s VAL 412 Cb -0.22 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.54 2i9t s VAL 412 CO 0.27 -0.47 0.00 0.61 -0.31 0.00 0.00 175.10 175.20 2i9t n GLY 413 N -0.37 0.78 3.77 2.32 0.00 -1.26 -1.41 105.19 109.02 2i9t n GLY 413 Ca -0.07 -2.19 -0.40 0.00 0.00 0.00 0.00 46.02 43.36 2i9t n GLY 413 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2i9t s LYS 414 N -0.89 4.33 0.00 1.61 2.47 -1.26 -2.51 119.74 123.49 2i9t s LYS 414 Ca 0.00 2.03 0.00 0.00 -1.56 0.00 0.00 55.97 56.44 2i9t s LYS 414 Cb 0.00 -2.99 0.00 0.00 -1.46 0.00 0.00 37.83 33.38 2i9t s LYS 414 CO 0.00 -0.14 0.00 0.72 0.16 0.00 0.00 175.35 176.09 2i9t n HIS 415 N 0.69 0.00 -4.32 4.03 8.25 -1.26 -4.98 115.22 117.62 2i9t n HIS 415 Ca 0.01 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.19 2i9t n HIS 415 Cb 0.44 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.44 2i9t n HIS 415 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2i9t s GLU 417 N -2.49 0.57 -1.31 0.00 4.04 -0.79 -4.84 118.70 113.88 2i9t s GLU 417 Ca 0.21 1.01 -0.02 0.00 0.04 0.00 0.00 54.97 56.21 2i9t s GLU 417 Cb -0.09 0.14 0.01 0.00 0.02 0.00 0.00 34.13 34.21 2i9t s GLU 417 CO 0.12 -0.12 0.14 -0.25 -1.84 0.00 0.00 175.26 173.31 2i9t n ASP 418 N 4.12 -4.61 0.00 0.83 8.00 -1.26 -2.36 116.55 121.28 2i9t n ASP 418 Ca -0.19 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.32 2i9t n ASP 418 Cb 0.58 -3.85 0.00 0.00 -0.02 0.00 0.00 41.12 37.83 2i9t n ASP 418 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2i9t n GLY 419 N -0.99 3.09 3.69 0.44 0.00 -1.26 -5.02 105.19 105.14 2i9t n GLY 419 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 2i9t n GLY 419 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2i9t s VAL 420 N -2.87 4.69 0.03 1.61 -7.23 -0.99 -2.50 120.40 113.14 2i9t s VAL 420 Ca 0.00 -0.09 -0.18 0.00 -1.81 0.00 0.00 61.98 59.90 2i9t s VAL 420 Cb 0.00 -3.05 -0.06 0.00 0.56 0.00 0.00 36.38 33.83 2i9t s VAL 420 CO 0.00 0.55 0.53 0.00 -0.31 0.00 0.00 175.10 175.87 2i9t s THR 422 N -0.85 0.87 0.18 0.00 2.01 0.27 -1.69 115.64 116.42 2i9t s THR 422 Ca 0.28 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 61.97 2i9t s THR 422 Cb -0.18 -0.82 -0.01 0.00 0.01 0.00 0.00 72.50 71.49 2i9t s THR 422 CO 0.17 0.29 0.09 1.33 -0.69 0.00 0.00 174.62 175.81 2i9t n VAL 423 N 3.84 0.00 -3.40 3.82 0.24 -0.18 -4.78 118.33 117.87 2i9t n VAL 423 Ca -0.24 -1.11 0.02 0.00 -2.04 0.00 0.00 64.34 60.98 2i9t n VAL 423 Cb 0.52 0.45 -0.03 0.00 -1.47 0.00 0.00 33.84 33.31 2i9t n VAL 423 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2i9t s THR 424 N -2.38 -0.71 -0.54 3.34 2.01 -1.26 -2.23 115.64 113.88 2i9t s THR 424 Ca 0.13 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 61.98 2i9t s THR 424 Cb 0.01 -1.00 0.13 0.00 0.01 0.00 0.00 72.50 71.65 2i9t s THR 424 CO 0.09 0.00 0.48 0.00 -0.69 0.00 0.00 174.62 174.49 2i9t s ALA 425 N 2.72 3.61 -0.57 7.40 0.00 -0.89 -4.89 121.76 129.13 2i9t s ALA 425 Ca 0.01 -2.58 0.13 0.00 0.00 0.00 0.00 51.96 49.52 2i9t s ALA 425 Cb -0.10 -3.17 -0.15 0.00 0.00 0.00 0.00 23.12 19.70 2i9t s ALA 425 CO -0.18 -2.00 0.54 0.41 0.00 0.00 0.00 175.76 174.53 2i9t n GLY 426 N 5.11 -0.27 0.00 0.00 0.00 -1.26 -2.19 105.19 106.58 2i9t n GLY 426 Ca -0.11 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2i9t n GLY 426 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2i9t n PRO 427 N -1.36 2.59 -0.09 1.61 -0.02 -1.26 -4.05 135.00 132.42 2i9t n PRO 427 Ca 0.02 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.61 2i9t n PRO 427 Cb 0.22 0.00 0.34 0.00 -0.02 0.00 0.00 33.50 34.03 2i9t n PRO 427 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2i9t n LYS 428 N 0.00 1.94 -3.50 -0.52 4.01 -1.26 -4.72 118.16 114.10 2i9t n LYS 428 Ca 0.00 -1.40 -0.39 0.00 -0.51 0.00 0.00 58.31 56.02 2i9t n LYS 428 Cb 0.00 -1.44 -0.10 0.00 -0.51 0.00 0.00 35.03 32.98 2i9t n LYS 428 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2i9t s ASP 429 N -1.64 6.12 0.00 4.39 2.15 -1.26 -4.95 116.67 121.47 2i9t s ASP 429 Ca 0.34 0.08 0.16 0.00 0.43 0.00 0.00 52.55 53.56 2i9t s ASP 429 Cb 0.19 -2.16 0.39 0.00 -0.30 0.00 0.00 42.92 41.05 2i9t s ASP 429 CO 0.29 -0.12 1.31 0.23 -0.17 0.00 0.00 175.17 176.71 2i9t n MET 430 N 5.18 2.53 -3.61 4.34 2.81 -1.26 -4.47 117.12 122.64 2i9t n MET 430 Ca -0.12 -2.16 -0.40 0.00 -1.81 0.00 0.00 57.70 53.21 2i9t n MET 430 Cb 0.51 -1.38 -0.09 0.00 -0.71 0.00 0.00 33.22 31.55 2i9t n MET 430 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2i9t s VAL 431 N -1.07 4.01 0.04 2.03 1.01 -1.26 -2.18 120.40 122.97 2i9t s VAL 431 Ca 0.32 -1.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.29 2i9t s VAL 431 Cb 0.17 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 2i9t s VAL 431 CO 0.23 -0.77 0.27 0.54 0.00 0.00 0.00 175.10 175.36 2i9t s VAL 432 N 1.17 5.30 0.04 2.92 0.11 -1.06 -4.97 120.40 123.91 2i9t s VAL 432 Ca 0.08 0.04 0.07 0.00 -2.93 0.00 0.00 61.98 59.23 2i9t s VAL 432 Cb -0.24 -3.58 -0.02 0.00 -1.53 0.00 0.00 36.38 31.00 2i9t s VAL 432 CO -0.02 0.28 -0.19 -0.83 -3.33 0.00 0.00 175.10 171.01 2i9t s GLY 433 N -1.95 1.04 -0.30 6.54 0.00 -1.26 -1.55 107.32 109.83 2i9t s GLY 433 Ca 0.31 -1.00 -0.06 0.00 0.00 0.00 0.00 44.72 43.98 2i9t s GLY 433 CO 0.19 -0.93 0.06 -1.36 0.00 0.00 0.00 173.10 171.06 2i9t s PHE 434 N -0.80 3.17 0.35 1.90 0.08 -0.30 -5.02 117.98 117.37 2i9t s PHE 434 Ca 0.06 -1.24 0.09 0.00 0.12 0.00 0.00 56.93 55.96 2i9t s PHE 434 Cb -0.08 -2.22 -0.06 0.00 -0.57 0.00 0.00 43.02 40.08 2i9t s PHE 434 CO 0.02 -0.65 -0.01 0.00 -0.10 0.00 0.00 175.22 174.47 2i9t s ALA 435 N 1.43 3.15 -1.48 5.36 0.00 -1.26 -3.59 121.76 125.37 2i9t s ALA 435 Ca 0.01 -2.04 -0.11 0.00 0.00 0.00 0.00 51.96 49.82 2i9t s ALA 435 Cb -0.18 -0.23 0.06 0.00 0.00 0.00 0.00 23.12 22.77 2i9t s ALA 435 CO 0.01 0.04 0.92 0.27 0.00 0.00 0.00 175.76 177.01 2i9t n ASN 436 N -0.92 -4.02 -4.86 0.00 6.94 -1.26 -4.89 115.26 106.24 2i9t n ASN 436 Ca -0.04 -0.78 -0.35 0.00 -0.02 0.00 0.00 54.58 53.39 2i9t n ASN 436 Cb 0.63 -3.95 -0.06 0.00 -2.36 0.00 0.00 39.78 34.04 2i9t n ASN 436 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2i9t s LEU 437 N -7.15 4.33 -0.01 -4.53 1.43 -1.26 -4.50 118.68 106.98 2i9t s LEU 437 Ca 0.51 0.89 0.02 0.00 -1.03 0.00 0.00 54.13 54.52 2i9t s LEU 437 Cb -0.25 -3.14 -0.00 0.00 0.03 0.00 0.00 46.19 42.83 2i9t s LEU 437 CO 0.82 0.13 -0.07 -0.83 0.23 0.00 0.00 176.35 176.63 2i9t s GLY 438 N -1.81 0.36 -0.40 -3.19 0.00 -0.50 0.28 107.32 102.06 2i9t s GLY 438 Ca 0.36 -0.27 -0.15 0.00 0.00 0.00 0.00 44.72 44.66 2i9t s GLY 438 CO 0.19 -0.17 0.29 -0.42 0.00 0.00 0.00 173.10 172.98 2i9t s ILE 439 N -0.04 5.22 -0.13 0.90 1.01 -1.26 -0.71 121.20 126.20 2i9t s ILE 439 Ca 0.01 -0.62 -0.29 0.00 0.00 0.00 0.00 60.65 59.75 2i9t s ILE 439 Cb -0.04 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 2i9t s ILE 439 CO -0.00 -0.27 1.03 -0.22 0.00 0.00 0.00 174.94 175.47 2i9t s LEU 440 N 1.68 4.22 -0.60 2.97 2.96 0.23 -2.22 118.68 127.92 2i9t s LEU 440 Ca 0.05 1.51 -0.23 0.00 -0.22 0.00 0.00 54.13 55.25 2i9t s LEU 440 Cb -0.19 -3.55 0.06 0.00 0.50 0.00 0.00 46.19 43.01 2i9t s LEU 440 CO 0.10 -0.50 0.92 -2.28 -1.32 0.00 0.00 176.35 173.27 2i9t s HIS 441 N 2.28 2.76 0.97 5.38 5.65 -0.25 -2.49 115.29 129.59 2i9t s HIS 441 Ca 0.48 -0.34 -0.12 0.00 0.25 0.00 0.00 55.06 55.33 2i9t s HIS 441 Cb -0.18 -4.13 0.17 0.00 -1.18 0.00 0.00 32.58 27.27 2i9t s HIS 441 CO 0.16 -1.47 1.10 0.54 -0.65 0.00 0.00 174.74 174.41 2i9t s VAL 442 N 3.87 2.20 0.09 0.89 0.11 -1.26 -4.31 120.40 121.99 2i9t s VAL 442 Ca 0.25 0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 59.35 2i9t s VAL 442 Cb -0.15 -2.57 -0.04 0.00 -1.53 0.00 0.00 36.38 32.08 2i9t s VAL 442 CO 0.14 -0.09 0.27 0.42 -3.33 0.00 0.00 175.10 172.51 2i9t s THR 443 N -2.98 5.32 0.29 5.04 -4.23 -1.26 -4.98 115.64 112.84 2i9t s THR 443 Ca 0.65 -0.31 0.05 0.00 -1.18 0.00 0.00 61.69 60.90 2i9t s THR 443 Cb -0.18 -3.64 0.29 0.00 1.34 0.00 0.00 72.50 70.30 2i9t s THR 443 CO 0.57 0.08 1.74 0.11 -0.54 0.00 0.00 174.62 176.59 2i9t h LYS 444 N 2.89 0.59 -0.96 3.99 1.57 -2.01 0.25 116.57 122.89 2i9t h LYS 444 Ca -0.46 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.26 2i9t h LYS 444 Cb 1.17 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 2i9t h LYS 444 CO 0.74 0.39 0.03 0.36 -0.57 0.00 0.00 179.45 180.40 2i9t n LYS 445 N -4.88 1.47 0.00 3.15 0.00 -1.26 -2.80 118.16 113.83 2i9t n LYS 445 Ca 0.22 -0.47 0.00 0.00 -0.00 0.00 0.00 58.31 58.06 2i9t n LYS 445 Cb 0.60 -1.48 0.00 0.00 -0.00 0.00 0.00 35.03 34.15 2i9t n LYS 445 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2i9t n LYS 446 N 0.15 0.00 0.17 -1.58 3.00 0.83 -4.90 118.16 115.82 2i9t n LYS 446 Ca 0.06 -0.17 -0.14 0.00 -0.00 0.00 0.00 58.31 58.05 2i9t n LYS 446 Cb 0.49 -0.45 -0.08 0.00 0.00 0.00 0.00 35.03 34.99 2i9t n LYS 446 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2i9t h VAL 447 N 1.76 0.75 0.70 3.15 2.07 -1.26 -1.78 116.25 121.64 2i9t h VAL 447 Ca 0.00 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 2i9t h VAL 447 Cb 0.69 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2i9t h VAL 447 CO 0.00 0.03 -0.36 0.15 0.02 0.00 0.00 177.57 177.41 2i9t h PHE 448 N -0.45 -0.94 -0.15 1.57 3.04 -1.90 0.71 116.94 118.81 2i9t h PHE 448 Ca -0.04 -0.02 0.03 0.00 3.98 0.00 0.00 57.97 61.92 2i9t h PHE 448 Cb 0.34 0.32 -0.07 0.00 2.56 0.00 0.00 35.95 39.11 2i9t h PHE 448 CO -0.04 -0.57 -0.55 0.93 -2.02 0.00 0.00 178.31 176.06 2i9t h GLU 449 N -0.98 -0.55 -0.58 1.11 4.39 -1.92 -0.13 114.58 115.91 2i9t h GLU 449 Ca -0.09 0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.67 2i9t h GLU 449 Cb 0.76 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.50 2i9t h GLU 449 CO 0.14 -0.37 0.36 1.15 -1.16 0.00 0.00 179.01 179.13 2i9t h THR 450 N -0.57 1.07 0.35 1.13 2.02 -1.25 -2.68 112.91 112.98 2i9t h THR 450 Ca 0.03 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 2i9t h THR 450 Cb 0.68 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2i9t h THR 450 CO -0.45 0.13 -0.26 0.25 0.37 0.00 0.00 175.52 175.56 2i9t h LEU 451 N 0.71 -0.68 0.20 2.58 5.85 0.12 -1.79 115.31 122.30 2i9t h LEU 451 Ca 0.23 0.05 0.01 0.00 0.84 0.00 0.00 57.88 59.01 2i9t h LEU 451 Cb 0.01 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 2i9t h LEU 451 CO -0.10 -0.40 -0.52 -0.33 -0.34 0.00 0.00 178.44 176.76 2i9t h GLU 452 N -0.61 -0.77 0.00 1.25 3.07 -0.97 0.21 114.58 116.76 2i9t h GLU 452 Ca -0.03 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2i9t h GLU 452 Cb 0.53 0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 2i9t h GLU 452 CO -0.00 -0.51 0.28 0.00 -1.40 0.00 0.00 179.01 177.38 2i9t h ALA 453 N -0.57 1.25 0.00 3.43 0.00 -1.44 0.62 119.26 122.56 2i9t h ALA 453 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 2i9t h ALA 453 Cb 0.78 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2i9t h ALA 453 CO -0.24 -0.25 -1.31 -0.09 0.00 0.00 0.00 179.25 177.36 2i9t h ARG 454 N 0.00 0.00 0.00 0.00 9.65 0.23 -3.15 114.38 121.11 2i9t h ARG 454 Ca 0.00 0.00 -0.22 0.00 -1.10 0.00 0.00 59.98 58.66 2i9t h ARG 454 Cb 0.56 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.16 2i9t h ARG 454 CO 0.00 0.36 -0.88 0.52 2.80 0.00 0.00 179.97 182.77 2i9t h MET 455 N 0.00 0.59 0.35 0.20 2.86 0.22 -3.20 114.93 115.96 2i9t h MET 455 Ca -0.15 -0.64 -0.02 0.00 -2.06 0.00 0.00 59.70 56.84 2i9t h MET 455 Cb 1.60 0.18 0.00 0.00 0.06 0.00 0.00 31.60 33.45 2i9t h MET 455 CO 0.05 1.25 -0.17 1.79 1.06 0.00 0.00 176.91 180.89 2i9t h THR 456 N 0.20 0.57 -1.13 2.22 1.35 -1.55 -2.13 112.91 112.45 2i9t h THR 456 Ca -0.11 -0.61 0.33 0.00 -0.55 0.00 0.00 66.41 65.47 2i9t h THR 456 Cb 1.55 0.84 -0.05 0.00 -1.73 0.00 0.00 68.15 68.77 2i9t h THR 456 CO 0.17 0.10 0.98 -0.33 -0.25 0.00 0.00 175.52 176.19 2i9t h GLU 457 N -0.86 0.00 0.00 4.72 5.08 -1.68 0.75 114.58 122.59 2i9t h GLU 457 Ca -0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2i9t h GLU 457 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2i9t h GLU 457 CO 0.08 0.00 -0.06 0.00 -1.00 0.00 0.00 179.01 178.03 2i9t h ALA 458 N 1.10 0.01 -0.94 3.43 0.00 -1.47 -2.35 119.26 119.05 2i9t h ALA 458 Ca 0.53 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2i9t h ALA 458 Cb 2.48 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 20.22 2i9t h ALA 458 CO -0.01 -0.06 0.61 0.00 0.00 0.00 0.00 179.25 179.79 2i9t h ILE 460 N 1.16 0.00 0.00 0.00 -0.00 -0.89 -2.13 117.51 115.65 2i9t h ILE 460 Ca 0.38 -0.01 0.00 0.00 -0.00 0.00 0.00 64.86 65.23 2i9t h ILE 460 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 36.82 36.86 2i9t h ILE 460 CO -0.13 0.00 0.08 0.54 -0.00 0.00 0.00 178.15 178.64 2i9t n ARG 461 N -2.53 0.07 -3.41 0.16 5.12 -0.88 -4.20 116.66 111.00 2i9t n ARG 461 Ca -0.02 0.54 -0.19 0.00 -1.93 0.00 0.00 57.85 56.25 2i9t n ARG 461 Cb 0.07 -1.82 0.07 0.00 -1.16 0.00 0.00 32.46 29.62 2i9t n ARG 461 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2i9t n GLY 462 N -1.35 -0.34 3.37 -0.13 0.00 0.32 -4.53 105.19 102.54 2i9t n GLY 462 Ca -0.01 0.11 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 2i9t n GLY 462 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2i9t s TYR 463 N -3.29 3.85 -1.28 1.61 4.12 0.58 -3.17 117.35 119.77 2i9t s TYR 463 Ca 0.38 -2.24 -0.04 0.00 0.02 0.00 0.00 57.07 55.20 2i9t s TYR 463 Cb -0.17 -3.97 0.01 0.00 -1.52 0.00 0.00 41.96 36.31 2i9t s TYR 463 CO 0.64 -1.11 1.06 0.09 0.02 0.00 0.00 175.55 176.25 2i9t n ASN 464 N 4.05 -3.82 -0.40 2.29 3.02 -1.26 -4.85 115.26 114.30 2i9t n ASN 464 Ca 0.23 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 54.18 2i9t n ASN 464 Cb 0.43 -5.00 0.00 0.00 -0.61 0.00 0.00 39.78 34.60 2i9t n ASN 464 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2i9t n PRO 465 N -4.51 0.52 -2.79 3.52 -0.02 -1.26 -3.79 135.00 126.68 2i9t n PRO 465 Ca -0.16 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.89 2i9t n PRO 465 Cb 0.62 -1.21 -0.04 0.00 -0.02 0.00 0.00 33.50 32.86 2i9t n PRO 465 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2i9t s GLY 466 N -0.68 1.32 0.00 -1.23 0.00 -1.26 -3.49 107.32 101.97 2i9t s GLY 466 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 44.72 43.38 2i9t s GLY 466 CO 0.00 2.16 0.00 -0.10 0.00 0.00 0.00 173.10 175.16 2i9t n LEU 467 N 7.82 0.00 -0.37 0.66 7.94 -1.26 -4.71 117.00 127.07 2i9t n LEU 467 Ca 0.01 0.00 0.34 0.00 -1.11 0.00 0.00 56.01 55.25 2i9t n LEU 467 Cb 0.47 0.00 0.68 0.00 0.53 0.00 0.00 43.42 45.10 2i9t n LEU 467 CO 0.65 0.00 1.30 -0.07 -1.11 0.00 0.00 177.39 178.16 2i9t h LEU 468 N 0.00 0.15 0.00 -1.96 3.38 -1.69 -3.40 115.31 111.79 2i9t h LEU 468 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2i9t h LEU 468 Cb 0.00 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2i9t h LEU 468 CO 0.00 -0.00 0.00 0.52 0.09 0.00 0.00 178.44 179.05 2i9t n VAL 469 N -4.34 0.00 -4.99 1.22 0.31 -1.25 -3.21 118.33 106.07 2i9t n VAL 469 Ca 0.29 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.29 2i9t n VAL 469 Cb 1.25 -0.10 -0.15 0.00 -0.91 0.00 0.00 33.84 33.93 2i9t n VAL 469 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2i9t s HIS 470 N 0.00 2.66 0.08 3.52 2.46 -1.23 -4.97 115.29 117.81 2i9t s HIS 470 Ca 0.00 -0.62 -0.31 0.00 0.47 0.00 0.00 55.06 54.60 2i9t s HIS 470 Cb 0.00 -1.72 -0.16 0.00 -0.13 0.00 0.00 32.58 30.57 2i9t s HIS 470 CO 0.00 -0.16 1.63 0.77 -2.47 0.00 0.00 174.74 174.51 2i9t h SER 471 N 6.26 -0.78 -0.16 9.88 0.02 -1.89 -2.49 113.55 124.40 2i9t h SER 471 Ca -0.31 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2i9t h SER 471 Cb 1.20 0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.97 2i9t h SER 471 CO 0.51 -0.48 0.00 -0.90 -1.14 0.00 0.00 176.83 174.82 2i9t n ASP 472 N -5.44 1.25 -1.71 3.07 5.75 -1.26 -3.38 116.55 114.83 2i9t n ASP 472 Ca -0.11 -2.06 0.02 0.00 -0.01 0.00 0.00 54.79 52.62 2i9t n ASP 472 Cb 0.34 -0.24 0.31 0.00 -1.03 0.00 0.00 41.12 40.50 2i9t n ASP 472 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2i9t n LEU 473 N 0.04 5.11 0.13 -2.12 0.00 -0.94 -4.41 117.00 114.81 2i9t n LEU 473 Ca 0.06 -2.61 0.08 0.00 0.00 0.00 0.00 56.01 53.53 2i9t n LEU 473 Cb 0.24 -0.67 0.41 0.00 0.00 0.00 0.00 43.42 43.39 2i9t n LEU 473 CO 0.05 0.62 0.76 0.00 0.00 0.00 0.00 177.39 178.81 2i9t n ALA 474 N 0.31 0.89 -1.27 1.96 0.00 -1.22 -4.77 120.51 116.41 2i9t n ALA 474 Ca 0.27 0.14 -0.42 0.00 0.00 0.00 0.00 53.44 53.42 2i9t n ALA 474 Cb 1.10 -1.07 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 2i9t n ALA 474 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2i9t n TYR 475 N -2.03 -1.16 -2.99 0.00 0.53 -1.26 -3.74 117.16 106.51 2i9t n TYR 475 Ca -0.01 0.76 -0.03 0.00 -1.02 0.00 0.00 57.90 57.60 2i9t n TYR 475 Cb 0.12 -1.76 0.00 0.00 -1.03 0.00 0.00 39.34 36.67 2i9t n TYR 475 CO 0.00 0.00 0.00 1.47 -1.02 0.00 0.00 176.86 177.31 2i9t n LEU 476 N 2.02 -5.64 0.00 7.72 -0.00 -1.26 -4.80 117.00 115.05 2i9t n LEU 476 Ca 0.14 0.82 0.09 0.00 -0.00 0.00 0.00 56.01 57.06 2i9t n LEU 476 Cb 0.30 -2.43 0.53 0.00 -0.00 0.00 0.00 43.42 41.82 2i9t n LEU 476 CO 0.52 -2.15 0.77 0.00 -0.00 0.00 0.00 177.39 176.52 2i9t n GLN 477 N 0.87 0.78 0.00 1.47 -0.00 -1.25 -4.38 117.38 114.88 2i9t n GLN 477 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2i9t n GLN 477 Cb 0.30 -1.36 0.00 0.00 -0.00 0.00 0.00 30.24 29.18 2i9t n GLN 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2i9t n ALA 478 N -0.86 0.00 -0.38 2.61 0.00 -1.19 -4.69 120.51 116.01 2i9t n ALA 478 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 2i9t n ALA 478 Cb 0.06 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.54 2i9t n ALA 478 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2i9t n GLU 479 N 0.00 1.44 0.24 0.00 0.28 -1.26 -4.27 120.64 117.07 2i9t n GLU 479 Ca 0.00 -0.90 0.16 0.00 -0.16 0.00 0.00 57.16 56.26 2i9t n GLU 479 Cb 0.00 -1.35 0.72 0.00 1.43 0.00 0.00 31.44 32.24 2i9t n GLU 479 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2i9t h GLY 480 N 2.86 0.00 -0.43 -1.84 0.00 -1.79 -3.45 103.07 98.42 2i9t h GLY 480 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2i9t h GLY 480 CO 0.41 0.00 -0.08 0.61 0.00 0.00 0.00 176.54 177.48 2i9t n GLY 481 N -0.26 -3.50 3.59 4.60 0.00 -1.26 -4.25 105.19 104.11 2i9t n GLY 481 Ca 0.00 -0.91 -0.44 0.00 0.00 0.00 0.00 46.02 44.67 2i9t n GLY 481 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i9t n GLY 482 N -0.36 1.08 2.45 -0.02 0.00 -1.26 -1.29 105.19 105.80 2i9t n GLY 482 Ca 0.00 0.82 -0.21 0.00 0.00 0.00 0.00 46.02 46.63 2i9t n GLY 482 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2i9t n ASP 483 N 10.56 -5.92 -4.60 1.61 10.43 -1.26 -4.94 116.55 122.43 2i9t n ASP 483 Ca 0.30 -0.03 -0.43 0.00 2.57 0.00 0.00 54.79 57.20 2i9t n ASP 483 Cb 0.40 -4.92 -0.03 0.00 1.84 0.00 0.00 41.12 38.41 2i9t n ASP 483 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 2i9t s ARG 484 N -5.10 3.80 0.95 -1.24 3.00 -0.41 -5.01 118.95 114.94 2i9t s ARG 484 Ca 0.02 0.55 -0.10 0.00 -1.00 0.00 0.00 55.73 55.20 2i9t s ARG 484 Cb -0.01 -3.83 0.17 0.00 0.00 0.00 0.00 34.95 31.28 2i9t s ARG 484 CO 0.03 -1.03 1.13 -0.65 0.00 0.00 0.00 175.30 174.78 2i9t s GLN 485 N 3.63 0.74 0.55 5.12 -1.52 -1.26 -4.85 119.66 122.07 2i9t s GLN 485 Ca 0.40 1.49 0.07 0.00 -1.95 0.00 0.00 55.36 55.37 2i9t s GLN 485 Cb -0.11 -1.70 0.07 0.00 -0.22 0.00 0.00 33.01 31.05 2i9t s GLN 485 CO 0.21 -2.80 0.61 1.28 -0.25 0.00 0.00 175.29 174.34 2i9t n LEU 486 N -4.35 0.00 0.00 2.90 4.77 -1.26 -5.09 117.00 113.97 2i9t n LEU 486 Ca 0.11 -2.58 0.00 0.00 -0.03 0.00 0.00 56.01 53.51 2i9t n LEU 486 Cb 0.52 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2i9t n LEU 486 CO 0.50 -0.65 0.00 0.35 -1.33 0.00 0.00 177.39 176.26 2i9t n THR 487 N -2.02 0.00 0.26 -5.08 -2.24 -1.26 -5.04 114.28 98.90 2i9t n THR 487 Ca 0.08 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.97 2i9t n THR 487 Cb 0.59 0.00 0.21 0.00 -2.10 0.00 0.00 70.33 69.03 2i9t n THR 487 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2i9t n ASP 488 N -0.47 3.43 -0.40 3.42 10.43 -1.26 -3.46 116.55 128.24 2i9t n ASP 488 Ca 0.00 -1.98 0.12 0.00 2.57 0.00 0.00 54.79 55.51 2i9t n ASP 488 Cb 0.00 -0.25 0.52 0.00 1.84 0.00 0.00 41.12 43.23 2i9t n ASP 488 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2i9t n ARG 489 N 1.44 1.53 0.00 -1.24 1.74 -1.26 -3.93 116.66 114.95 2i9t n ARG 489 Ca 0.19 -0.79 0.00 0.00 -0.77 0.00 0.00 57.85 56.48 2i9t n ARG 489 Cb 0.59 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.60 2i9t n ARG 489 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2i9t n GLU 490 N -0.02 0.11 -0.34 5.56 0.00 -1.26 -4.71 120.64 119.98 2i9t n GLU 490 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.32 2i9t n GLU 490 Cb 0.28 -0.53 0.13 0.00 0.00 0.00 0.00 31.44 31.32 2i9t n GLU 490 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 2i9t h LYS 491 N 0.00 1.25 0.00 3.44 1.57 -1.74 2.28 116.57 123.38 2i9t h LYS 491 Ca 0.00 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2i9t h LYS 491 Cb 0.07 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.10 2i9t h LYS 491 CO 0.00 0.84 -0.03 0.93 -0.57 0.00 0.00 179.45 180.62 2i9t h GLU 492 N 1.28 0.00 0.16 3.15 5.08 -1.86 -1.78 114.58 120.62 2i9t h GLU 492 Ca 0.34 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.38 2i9t h GLU 492 Cb -0.12 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.14 2i9t h GLU 492 CO -0.07 0.03 -1.59 -0.84 -1.00 0.00 0.00 179.01 175.53 2i9t h ILE 493 N 0.00 1.11 0.40 3.13 -2.65 -0.75 -3.27 117.51 115.48 2i9t h ILE 493 Ca -0.00 -2.69 -0.02 0.00 1.03 0.00 0.00 64.86 63.18 2i9t h ILE 493 Cb 0.64 2.81 -0.01 0.00 -2.05 0.00 0.00 36.82 38.22 2i9t h ILE 493 CO 0.00 0.83 -0.28 0.40 0.03 0.00 0.00 178.15 179.14 2i9t h ILE 494 N 0.09 0.00 -0.97 0.16 2.04 0.41 -3.02 117.51 116.22 2i9t h ILE 494 Ca -0.28 0.00 0.18 0.00 1.00 0.00 0.00 64.86 65.76 2i9t h ILE 494 Cb 2.07 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 37.97 2i9t h ILE 494 CO 0.19 0.00 -0.28 -1.14 0.00 0.00 0.00 178.15 176.92 2i9t n ARG 495 N -4.06 -0.13 0.20 2.37 3.00 -0.71 0.25 116.66 117.58 2i9t n ARG 495 Ca -0.08 1.51 0.12 0.00 -0.00 0.00 0.00 57.85 59.40 2i9t n ARG 495 Cb 0.28 -2.25 0.64 0.00 0.00 0.00 0.00 32.46 31.13 2i9t n ARG 495 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 2i9t h GLN 496 N 0.00 0.00 0.00 -0.14 5.75 -1.58 0.04 115.11 119.19 2i9t h GLN 496 Ca 0.43 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.91 2i9t h GLN 496 Cb 0.67 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.22 2i9t h GLN 496 CO -0.99 0.00 -0.88 0.00 -2.65 0.00 0.00 178.83 174.31 2i9t n ALA 497 N -1.78 0.73 0.14 3.38 0.00 0.70 -3.77 120.51 119.91 2i9t n ALA 497 Ca -0.02 -0.68 0.07 0.00 0.00 0.00 0.00 53.44 52.82 2i9t n ALA 497 Cb 0.11 0.02 0.39 0.00 0.00 0.00 0.00 19.45 19.96 2i9t n ALA 497 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2i9t n ALA 498 N -4.13 0.80 -0.06 0.00 0.00 -0.15 -1.04 120.51 115.93 2i9t n ALA 498 Ca -0.13 0.13 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2i9t n ALA 498 Cb 0.44 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.91 2i9t n ALA 498 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2i9t h VAL 499 N 0.00 0.00 -0.38 0.00 3.04 -1.17 -3.11 116.25 114.63 2i9t h VAL 499 Ca 0.00 -0.96 -0.02 0.00 -1.01 0.00 0.00 66.70 64.71 2i9t h VAL 499 Cb 0.32 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 29.58 2i9t h VAL 499 CO 0.00 0.00 0.16 -0.61 -1.01 0.00 0.00 177.57 176.11 2i9t h GLN 500 N -0.96 0.53 -0.29 4.17 -0.00 -1.52 -2.74 115.11 114.30 2i9t h GLN 500 Ca 0.00 -0.06 -0.17 0.00 -0.00 0.00 0.00 58.65 58.42 2i9t h GLN 500 Cb 0.24 -0.10 -0.00 0.00 0.00 0.00 0.00 27.48 27.61 2i9t h GLN 500 CO 0.00 0.44 -0.48 1.96 0.00 0.00 0.00 178.83 180.74 2i9t h GLN 501 N 0.53 0.78 -0.20 1.69 4.20 -1.27 -2.99 115.11 117.86 2i9t h GLN 501 Ca 0.13 -0.46 0.06 0.00 0.06 0.00 0.00 58.65 58.44 2i9t h GLN 501 Cb 0.10 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2i9t h GLN 501 CO -0.01 1.09 0.32 1.15 -0.67 0.00 0.00 178.83 180.70 2i9t h THR 502 N 0.62 0.26 0.00 -0.54 2.02 -1.41 -0.46 112.91 113.39 2i9t h THR 502 Ca 0.03 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 67.01 2i9t h THR 502 Cb 1.06 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 2i9t h THR 502 CO 0.10 0.00 -1.24 0.11 0.37 0.00 0.00 175.52 174.87 2i9t h LYS 503 N 0.00 0.00 -0.47 6.66 1.57 -1.60 -3.34 116.57 119.39 2i9t h LYS 503 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2i9t h LYS 503 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2i9t h LYS 503 CO -0.00 0.55 0.00 0.39 -0.57 0.00 0.00 179.45 179.82 2i9t n GLU 504 N -3.10 2.42 -2.55 3.15 1.02 -0.22 -4.97 120.64 116.39 2i9t n GLU 504 Ca -0.07 -2.17 -0.42 0.00 -0.02 0.00 0.00 57.16 54.48 2i9t n GLU 504 Cb 0.90 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.80 2i9t n GLU 504 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 2i9t s MET 505 N -1.38 4.51 -0.82 3.49 1.75 -0.96 -5.00 119.30 120.89 2i9t s MET 505 Ca 0.40 1.63 -0.13 0.00 -1.25 0.00 0.00 55.69 56.34 2i9t s MET 505 Cb 0.22 -3.38 0.22 0.00 2.84 0.00 0.00 34.83 34.73 2i9t s MET 505 CO 0.30 -0.12 0.75 0.34 -0.65 0.00 0.00 175.02 175.64 2i9t s ASP 506 N 0.85 6.65 0.00 1.11 3.68 -1.26 -4.91 116.67 122.78 2i9t s ASP 506 Ca 0.55 -2.75 0.00 0.00 2.13 0.00 0.00 52.55 52.48 2i9t s ASP 506 Cb -0.26 -2.18 0.00 0.00 -1.45 0.00 0.00 42.92 39.03 2i9t s ASP 506 CO 0.29 -0.54 0.20 0.18 0.13 0.00 0.00 175.17 175.43 2i9t n LEU 507 N 3.87 0.00 0.01 -1.34 4.77 -1.26 -1.57 117.00 121.48 2i9t n LEU 507 Ca 0.14 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.23 2i9t n LEU 507 Cb 0.46 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.44 2i9t n LEU 507 CO 0.33 0.00 -0.46 -0.24 -1.33 0.00 0.00 177.39 175.69 2i9t n SER 508 N -0.69 0.32 -3.80 -1.43 2.88 -1.26 -4.98 113.62 104.66 2i9t n SER 508 Ca 0.00 -0.08 -0.12 0.00 -1.33 0.00 0.00 58.87 57.33 2i9t n SER 508 Cb 0.00 1.49 -0.10 0.00 -0.75 0.00 0.00 64.21 64.85 2i9t n SER 508 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2i9t s VAL 509 N -3.40 0.04 0.27 2.46 0.11 -0.61 -2.38 120.40 116.90 2i9t s VAL 509 Ca -0.04 -0.35 0.03 0.00 -2.93 0.00 0.00 61.98 58.69 2i9t s VAL 509 Cb 0.14 -0.46 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 2i9t s VAL 509 CO 0.87 -0.19 0.20 0.68 -3.33 0.00 0.00 175.10 173.33 2i9t s VAL 510 N -0.76 0.04 -0.05 2.04 -7.23 -1.02 -4.65 120.40 108.77 2i9t s VAL 510 Ca -0.09 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.02 2i9t s VAL 510 Cb -0.05 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.41 2i9t s VAL 510 CO 0.02 0.00 0.16 -0.13 -0.31 0.00 0.00 175.10 174.84 2i9t s ARG 511 N -3.81 0.26 0.00 4.82 0.52 -0.36 -0.65 118.95 119.72 2i9t s ARG 511 Ca 0.39 0.10 -0.22 0.00 -0.52 0.00 0.00 55.73 55.48 2i9t s ARG 511 Cb 0.05 0.12 -0.05 0.00 0.52 0.00 0.00 34.95 35.58 2i9t s ARG 511 CO 0.19 -0.04 0.66 -0.51 0.02 0.00 0.00 175.30 175.63 2i9t s LEU 512 N -0.23 4.41 -0.18 2.53 1.43 -1.26 -0.52 118.68 124.87 2i9t s LEU 512 Ca -0.03 1.25 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 2i9t s LEU 512 Cb -0.03 -3.04 0.03 0.00 0.03 0.00 0.00 46.19 43.18 2i9t s LEU 512 CO 0.01 0.04 -0.15 -0.32 0.23 0.00 0.00 176.35 176.16 2i9t s MET 513 N -0.01 2.51 -0.08 1.70 1.75 0.42 -0.41 119.30 125.19 2i9t s MET 513 Ca 0.34 -0.80 -0.15 0.00 -1.25 0.00 0.00 55.69 53.83 2i9t s MET 513 Cb -0.19 -2.42 -0.05 0.00 2.84 0.00 0.00 34.83 35.01 2i9t s MET 513 CO 0.19 -0.30 0.39 -0.06 -0.65 0.00 0.00 175.02 174.60 2i9t s PHE 514 N 1.35 3.60 -0.04 4.11 0.08 0.42 -1.22 117.98 126.29 2i9t s PHE 514 Ca 0.02 0.85 0.01 0.00 0.12 0.00 0.00 56.93 57.94 2i9t s PHE 514 Cb -0.14 -2.37 0.02 0.00 -0.57 0.00 0.00 43.02 39.96 2i9t s PHE 514 CO -0.11 0.41 -0.04 0.99 -0.10 0.00 0.00 175.22 176.38 2i9t s THR 515 N -0.21 0.46 0.06 0.64 2.01 0.05 -1.14 115.64 117.51 2i9t s THR 515 Ca 0.22 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.18 2i9t s THR 515 Cb -0.15 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 2i9t s THR 515 CO 0.10 0.20 -0.11 0.00 -0.69 0.00 0.00 174.62 174.11 2i9t s ALA 516 N 0.77 2.88 -0.01 7.40 0.00 -1.26 -0.86 121.76 130.68 2i9t s ALA 516 Ca -0.10 -1.17 0.04 0.00 0.00 0.00 0.00 51.96 50.74 2i9t s ALA 516 Cb -0.13 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.06 2i9t s ALA 516 CO -0.00 0.62 -0.14 -0.06 0.00 0.00 0.00 175.76 176.17 2i9t s PHE 517 N -1.08 1.32 0.25 0.00 0.08 0.18 -0.81 117.98 117.92 2i9t s PHE 517 Ca 0.18 -0.26 0.10 0.00 0.12 0.00 0.00 56.93 57.07 2i9t s PHE 517 Cb -0.11 -0.86 -0.05 0.00 -0.57 0.00 0.00 43.02 41.44 2i9t s PHE 517 CO 0.10 -0.04 -0.10 -0.51 -0.10 0.00 0.00 175.22 174.57 2i9t s LEU 518 N -0.28 2.91 0.01 -0.37 1.43 -0.19 -0.81 118.68 121.38 2i9t s LEU 518 Ca 0.04 -0.77 -0.30 0.00 -1.03 0.00 0.00 54.13 52.07 2i9t s LEU 518 Cb -0.06 -1.47 -0.07 0.00 0.03 0.00 0.00 46.19 44.62 2i9t s LEU 518 CO -0.00 0.04 1.57 -2.84 0.23 0.00 0.00 176.35 175.35 2i9t s PRO 519 N -3.41 4.22 -0.04 1.29 0.02 -1.25 -2.30 135.00 133.53 2i9t s PRO 519 Ca 0.29 2.18 0.03 0.00 0.02 0.00 0.00 61.00 63.52 2i9t s PRO 519 Cb -0.06 -3.70 0.00 0.00 0.02 0.00 0.00 34.50 30.76 2i9t s PRO 519 CO 0.17 -0.72 -0.12 0.34 -0.33 0.00 0.00 177.00 176.34 2i9t s ASP 520 N 2.50 1.61 -1.56 2.53 -1.08 -0.92 -4.79 116.67 114.96 2i9t s ASP 520 Ca 0.70 -0.26 -0.10 0.00 -0.52 0.00 0.00 52.55 52.38 2i9t s ASP 520 Cb -0.35 -0.49 0.08 0.00 -1.46 0.00 0.00 42.92 40.70 2i9t s ASP 520 CO 0.30 0.09 0.64 -1.54 0.52 0.00 0.00 175.17 175.17 2i9t n SER 521 N 3.34 -2.10 -1.13 -0.34 3.41 -1.26 -4.53 113.62 111.00 2i9t n SER 521 Ca -0.19 -0.99 0.14 0.00 -0.26 0.00 0.00 58.87 57.57 2i9t n SER 521 Cb 0.53 -2.98 -0.04 0.00 -0.26 0.00 0.00 64.21 61.46 2i9t n SER 521 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2i9t n THR 522 N -4.43 0.00 0.00 6.66 -1.04 -1.26 -4.85 114.28 109.36 2i9t n THR 522 Ca -0.10 0.13 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 2i9t n THR 522 Cb 0.58 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.59 2i9t n THR 522 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2i9t n GLY 523 N -3.45 1.39 0.00 3.41 0.00 -1.26 -4.92 105.19 100.36 2i9t n GLY 523 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2i9t n GLY 523 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2i9t n SER 524 N 4.22 0.67 -4.35 1.61 7.64 -1.26 -5.04 113.62 117.10 2i9t n SER 524 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 2i9t n SER 524 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 2i9t n SER 524 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2i9t s PHE 525 N 0.71 3.02 0.00 1.43 0.08 -1.26 -2.16 117.98 119.80 2i9t s PHE 525 Ca 0.00 -0.79 0.00 0.00 0.12 0.00 0.00 56.93 56.26 2i9t s PHE 525 Cb 0.00 -2.16 0.00 0.00 -0.57 0.00 0.00 43.02 40.29 2i9t s PHE 525 CO 0.00 -0.49 0.00 0.25 -0.10 0.00 0.00 175.22 174.88 2i9t n THR 526 N 4.84 0.00 -2.84 0.64 -2.24 -0.97 -4.88 114.28 108.83 2i9t n THR 526 Ca -0.17 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.18 2i9t n THR 526 Cb 0.51 0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 69.50 2i9t n THR 526 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2i9t s ARG 527 N 0.00 3.43 0.17 -0.78 3.00 -1.00 -4.69 118.95 119.08 2i9t s ARG 527 Ca 0.00 -1.32 -0.30 0.00 0.00 0.00 0.00 55.73 54.10 2i9t s ARG 527 Cb 0.00 -4.74 -0.08 0.00 0.00 0.00 0.00 34.95 30.13 2i9t s ARG 527 CO 0.00 -1.86 1.30 0.50 0.00 0.00 0.00 175.30 175.24 2i9t s ARG 528 N 3.56 4.39 -0.25 3.54 3.52 -1.26 -1.02 118.95 131.42 2i9t s ARG 528 Ca 0.31 2.02 0.08 0.00 -0.13 0.00 0.00 55.73 58.02 2i9t s ARG 528 Cb -0.08 -3.22 0.63 0.00 -1.56 0.00 0.00 34.95 30.72 2i9t s ARG 528 CO -0.03 -0.26 1.60 1.28 -0.81 0.00 0.00 175.30 177.08 2i9t n LEU 529 N 2.91 5.29 -2.07 -0.88 4.77 0.01 -4.98 117.00 122.04 2i9t n LEU 529 Ca 0.07 -2.73 -0.03 0.00 -0.03 0.00 0.00 56.01 53.29 2i9t n LEU 529 Cb 0.43 -0.70 -0.02 0.00 -2.33 0.00 0.00 43.42 40.80 2i9t n LEU 529 CO 0.58 0.69 -0.37 1.21 -1.33 0.00 0.00 177.39 178.17 2i9t n GLU 530 N 0.03 -2.74 -0.87 3.23 0.00 -1.26 -4.55 120.64 114.48 2i9t n GLU 530 Ca 0.32 2.25 -0.32 0.00 0.00 0.00 0.00 57.16 59.41 2i9t n GLU 530 Cb 1.18 -3.29 0.15 0.00 0.00 0.00 0.00 31.44 29.48 2i9t n GLU 530 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 2i9t n PRO 531 N 1.00 -0.17 -4.25 5.31 -0.04 -1.26 -4.68 135.00 130.90 2i9t n PRO 531 Ca -0.21 0.02 -0.18 0.00 -0.04 0.00 0.00 63.50 63.09 2i9t n PRO 531 Cb 0.32 -2.34 -0.15 0.00 -0.04 0.00 0.00 33.50 31.29 2i9t n PRO 531 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2i9t s VAL 532 N -2.39 0.57 -0.12 0.52 0.11 -0.29 -4.98 120.40 113.81 2i9t s VAL 532 Ca 0.69 -0.27 -0.05 0.00 -2.93 0.00 0.00 61.98 59.42 2i9t s VAL 532 Cb -0.26 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.05 2i9t s VAL 532 CO 0.56 0.18 0.06 -0.69 -3.33 0.00 0.00 175.10 171.88 2i9t s VAL 533 N 0.09 4.83 0.80 2.04 1.01 -1.26 -0.44 120.40 127.48 2i9t s VAL 533 Ca -0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 2i9t s VAL 533 Cb -0.06 -3.09 0.14 0.00 0.00 0.00 0.00 36.38 33.37 2i9t s VAL 533 CO -0.00 0.58 1.12 -0.94 0.00 0.00 0.00 175.10 175.86 2i9t s SER 534 N -0.67 3.99 0.98 3.32 1.04 0.46 -5.01 113.70 117.81 2i9t s SER 534 Ca 0.12 0.03 -0.11 0.00 0.48 0.00 0.00 55.95 56.47 2i9t s SER 534 Cb -0.12 -0.34 0.18 0.00 0.10 0.00 0.00 66.02 65.84 2i9t s SER 534 CO 0.02 -2.13 1.11 -1.81 0.98 0.00 0.00 173.24 171.42 2i9t s ASP 535 N -4.75 2.43 0.50 7.02 -0.00 -1.26 -4.62 116.67 115.99 2i9t s ASP 535 Ca 0.68 1.97 -0.19 0.00 -0.00 0.00 0.00 52.55 55.01 2i9t s ASP 535 Cb -0.06 -2.48 -0.08 0.00 -0.00 0.00 0.00 42.92 40.30 2i9t s ASP 535 CO 0.48 -3.38 1.03 0.00 -0.00 0.00 0.00 175.17 173.30 2i9t s ALA 536 N -2.61 2.88 -0.12 5.23 0.00 -1.26 -4.43 121.76 121.45 2i9t s ALA 536 Ca 0.67 0.50 0.02 0.00 0.00 0.00 0.00 51.96 53.14 2i9t s ALA 536 Cb -0.23 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 2i9t s ALA 536 CO 0.60 -0.35 -0.19 0.42 0.00 0.00 0.00 175.76 176.24 2i9t s ILE 537 N -2.17 2.54 -0.19 0.00 1.01 0.17 -4.53 121.20 118.04 2i9t s ILE 537 Ca 0.65 -0.84 -0.06 0.00 0.00 0.00 0.00 60.65 60.40 2i9t s ILE 537 Cb -0.15 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 2i9t s ILE 537 CO 0.24 0.54 0.02 -0.31 0.00 0.00 0.00 174.94 175.43 2i9t s TYR 538 N 0.37 3.12 -0.16 3.97 2.02 0.11 -2.43 117.35 124.36 2i9t s TYR 538 Ca -0.15 -0.19 -0.29 0.00 -0.37 0.00 0.00 57.07 56.07 2i9t s TYR 538 Cb -0.17 -2.07 -0.04 0.00 -0.40 0.00 0.00 41.96 39.29 2i9t s TYR 538 CO 0.07 -0.04 1.68 0.34 -1.57 0.00 0.00 175.55 176.03 2i9t s ASP 539 N 0.64 6.42 0.54 2.29 -1.08 -1.00 -4.31 116.67 120.18 2i9t s ASP 539 Ca 0.01 1.88 0.29 0.00 -0.52 0.00 0.00 52.55 54.21 2i9t s ASP 539 Cb -0.14 -2.53 1.56 0.00 -1.46 0.00 0.00 42.92 40.35 2i9t s ASP 539 CO 0.02 -1.18 2.11 0.77 0.52 0.00 0.00 175.17 177.41 2i9t h SER 540 N 10.59 0.00 0.26 -0.34 4.64 -1.71 -2.40 113.55 124.60 2i9t h SER 540 Ca -0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2i9t h SER 540 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2i9t h SER 540 CO 0.98 0.09 -0.03 0.29 -0.87 0.00 0.00 176.83 177.29 2i9t n LYS 541 N -3.59 0.80 -2.90 4.77 4.76 -1.26 -4.03 118.16 116.71 2i9t n LYS 541 Ca -0.02 -0.13 -0.40 0.00 -2.87 0.00 0.00 58.31 54.89 2i9t n LYS 541 Cb 0.21 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.86 2i9t n LYS 541 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2i9t s ALA 542 N -2.29 3.33 0.40 7.82 0.00 -0.90 -4.95 121.76 125.16 2i9t s ALA 542 Ca 0.37 0.38 0.12 0.00 0.00 0.00 0.00 51.96 52.83 2i9t s ALA 542 Cb 0.21 -3.09 0.94 0.00 0.00 0.00 0.00 23.12 21.18 2i9t s ALA 542 CO 0.42 0.04 1.92 -1.35 0.00 0.00 0.00 175.76 176.79 2i9t h PRO 543 N 5.62 0.52 -0.74 0.00 0.11 -1.88 -1.34 132.00 134.29 2i9t h PRO 543 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2i9t h PRO 543 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2i9t h PRO 543 CO 0.71 0.35 0.00 0.27 -0.21 0.00 0.00 178.00 179.12 2i9t n ASN 544 N -4.50 1.74 0.00 -2.05 2.04 -1.26 -3.71 115.26 107.51 2i9t n ASN 544 Ca 0.14 -2.15 0.00 0.00 -0.44 0.00 0.00 54.58 52.13 2i9t n ASN 544 Cb 0.45 -0.44 0.00 0.00 -2.53 0.00 0.00 39.78 37.27 2i9t n ASN 544 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2i9t n ALA 545 N 0.09 0.95 -0.74 -2.53 0.00 -0.59 -4.94 120.51 112.75 2i9t n ALA 545 Ca 0.06 -0.11 -0.28 0.00 0.00 0.00 0.00 53.44 53.11 2i9t n ALA 545 Cb 0.38 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.06 2i9t n ALA 545 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2i9t s SER 546 N 0.00 1.42 0.01 0.00 1.04 -0.69 -4.69 113.70 110.79 2i9t s SER 546 Ca 0.00 1.40 -0.30 0.00 0.48 0.00 0.00 55.95 57.52 2i9t s SER 546 Cb 0.00 -2.15 -0.05 0.00 0.10 0.00 0.00 66.02 63.92 2i9t s SER 546 CO 0.00 -3.91 1.31 0.21 0.98 0.00 0.00 173.24 171.83 2i9t s ASN 547 N -2.81 6.94 0.06 7.02 2.47 -1.26 -4.99 114.94 122.36 2i9t s ASN 547 Ca 0.68 2.05 -0.24 0.00 0.42 0.00 0.00 52.86 55.76 2i9t s ASN 547 Cb -0.23 -2.57 -0.06 0.00 -1.45 0.00 0.00 41.25 36.94 2i9t s ASN 547 CO 0.62 -0.63 0.73 -0.76 -3.72 0.00 0.00 177.10 173.34 2i9t s LEU 548 N 1.96 4.47 -0.08 3.21 1.43 -1.26 -4.78 118.68 123.62 2i9t s LEU 548 Ca 0.61 1.42 -0.31 0.00 -1.03 0.00 0.00 54.13 54.82 2i9t s LEU 548 Cb -0.30 -3.17 0.08 0.00 0.03 0.00 0.00 46.19 42.83 2i9t s LEU 548 CO 0.26 0.08 0.75 -0.75 0.23 0.00 0.00 176.35 176.92 2i9t s LYS 549 N -0.31 0.96 -0.36 1.70 2.20 -1.26 -4.50 119.74 118.15 2i9t s LYS 549 Ca 0.36 0.27 -0.02 0.00 -0.36 0.00 0.00 55.97 56.22 2i9t s LYS 549 Cb -0.20 0.45 0.09 0.00 -1.51 0.00 0.00 37.83 36.65 2i9t s LYS 549 CO 0.22 -0.29 0.12 0.42 -0.36 0.00 0.00 175.35 175.46 2i9t s ILE 550 N -1.10 3.07 0.04 5.43 1.01 -1.26 -3.35 121.20 125.04 2i9t s ILE 550 Ca -0.09 -1.86 -0.18 0.00 0.00 0.00 0.00 60.65 58.52 2i9t s ILE 550 Cb -0.00 -3.01 -0.19 0.00 0.01 0.00 0.00 42.46 39.27 2i9t s ILE 550 CO 0.08 -0.48 1.21 0.58 0.00 0.00 0.00 174.94 176.33 2i9t h VAL 551 N 6.42 1.37 -2.80 2.92 2.07 -1.40 -3.48 116.25 121.36 2i9t h VAL 551 Ca -0.15 -1.87 -0.04 0.00 0.82 0.00 0.00 66.70 65.47 2i9t h VAL 551 Cb 1.05 2.26 -0.14 0.00 -1.52 0.00 0.00 31.29 32.93 2i9t h VAL 551 CO 0.62 0.56 0.16 -0.60 0.02 0.00 0.00 177.57 178.33 2i9t s ARG 552 N -3.61 1.18 -0.01 1.57 3.52 -0.81 -4.99 118.95 115.81 2i9t s ARG 552 Ca -0.13 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.17 2i9t s ARG 552 Cb 0.05 0.54 0.01 0.00 -1.56 0.00 0.00 34.95 34.00 2i9t s ARG 552 CO 0.83 -0.47 0.01 -1.64 -0.81 0.00 0.00 175.30 173.21 2i9t s MET 553 N -3.04 -0.01 0.40 5.12 -1.94 -1.26 -0.32 119.30 118.25 2i9t s MET 553 Ca -0.02 0.06 0.20 0.00 -1.71 0.00 0.00 55.69 54.22 2i9t s MET 553 Cb -0.01 -0.09 0.83 0.00 2.01 0.00 0.00 34.83 37.57 2i9t s MET 553 CO -0.07 -0.06 1.81 0.38 -0.01 0.00 0.00 175.02 177.07 2i9t h ASP 554 N 6.55 0.00 -3.83 3.03 -0.00 -1.83 -3.43 116.42 116.91 2i9t h ASP 554 Ca -0.32 0.00 -0.22 0.00 -0.00 0.00 0.00 57.03 56.50 2i9t h ASP 554 Cb 1.18 0.00 -0.27 0.00 -0.00 0.00 0.00 39.33 40.24 2i9t h ASP 554 CO 0.50 0.32 -0.67 -0.60 -0.00 0.00 0.00 179.24 178.79 2i9t s ARG 555 N -3.78 0.07 -0.04 4.15 6.06 -1.26 -5.03 118.95 119.12 2i9t s ARG 555 Ca -0.01 0.02 0.06 0.00 -2.50 0.00 0.00 55.73 53.30 2i9t s ARG 555 Cb 0.12 0.03 0.13 0.00 0.06 0.00 0.00 34.95 35.28 2i9t s ARG 555 CO 0.67 -0.01 1.08 0.25 -2.50 0.00 0.00 175.30 174.79 2i9t n THR 556 N 2.96 1.27 -3.96 4.11 -2.24 -1.26 -4.96 114.28 110.20 2i9t n THR 556 Ca -0.13 -1.34 -0.09 0.00 -2.27 0.00 0.00 64.05 60.22 2i9t n THR 556 Cb 0.59 0.29 -0.09 0.00 -2.10 0.00 0.00 70.33 69.02 2i9t n THR 556 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2i9t s ALA 557 N -1.53 0.04 0.11 6.98 0.00 -1.26 -1.20 121.76 124.91 2i9t s ALA 557 Ca 0.12 -0.70 -0.25 0.00 0.00 0.00 0.00 51.96 51.13 2i9t s ALA 557 Cb 0.10 0.28 0.07 0.00 0.00 0.00 0.00 23.12 23.57 2i9t s ALA 557 CO 0.03 -0.35 0.84 0.20 0.00 0.00 0.00 175.76 176.48 2i9t s GLY 558 N -2.35 -0.36 0.35 0.00 0.00 -0.05 -4.94 107.32 99.97 2i9t s GLY 558 Ca -0.02 0.45 -0.27 0.00 0.00 0.00 0.00 44.72 44.88 2i9t s GLY 558 CO -0.06 0.14 1.15 0.00 0.00 0.00 0.00 173.10 174.32 2i9t h VAL 560 N 2.70 0.36 -0.56 0.00 -1.51 -1.46 0.10 116.25 115.88 2i9t h VAL 560 Ca -0.48 0.00 0.06 0.00 -1.23 0.00 0.00 66.70 65.05 2i9t h VAL 560 Cb 1.22 0.87 -0.03 0.00 -2.13 0.00 0.00 31.29 31.22 2i9t h VAL 560 CO 0.65 0.00 0.37 0.74 -1.23 0.00 0.00 177.57 178.10 2i9t h THR 561 N 0.00 0.98 0.00 7.19 2.02 -1.90 -0.23 112.91 120.97 2i9t h THR 561 Ca 0.05 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2i9t h THR 561 Cb 0.37 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2i9t h THR 561 CO -0.00 0.09 0.00 0.61 0.37 0.00 0.00 175.52 176.59 2i9t n GLY 562 N -1.49 -2.18 2.14 2.16 0.00 0.02 -4.34 105.19 101.50 2i9t n GLY 562 Ca 0.08 -1.50 -0.01 0.00 0.00 0.00 0.00 46.02 44.59 2i9t n GLY 562 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2i9t n GLY 563 N -0.29 0.48 3.74 -0.02 0.00 -0.03 -4.93 105.19 104.14 2i9t n GLY 563 Ca 0.00 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 2i9t n GLY 563 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2i9t s GLU 564 N -0.88 4.25 0.26 1.61 2.02 -1.26 -4.70 118.70 120.00 2i9t s GLU 564 Ca 0.00 0.23 -0.30 0.00 0.02 0.00 0.00 54.97 54.92 2i9t s GLU 564 Cb 0.00 -3.41 -0.09 0.00 0.10 0.00 0.00 34.13 30.72 2i9t s GLU 564 CO 0.00 0.25 1.27 -2.00 0.02 0.00 0.00 175.26 174.80 2i9t s GLU 565 N 0.39 4.42 -0.03 1.61 2.12 -1.26 -1.17 118.70 124.77 2i9t s GLU 565 Ca 0.20 2.07 -0.04 0.00 0.36 0.00 0.00 54.97 57.56 2i9t s GLU 565 Cb -0.14 -3.15 0.01 0.00 0.26 0.00 0.00 34.13 31.11 2i9t s GLU 565 CO 0.07 -0.15 0.10 0.42 -0.54 0.00 0.00 175.26 175.16 2i9t s ILE 566 N -0.55 0.01 -0.19 -3.70 1.01 -0.29 -4.96 121.20 112.52 2i9t s ILE 566 Ca 0.52 -0.08 -0.09 0.00 0.00 0.00 0.00 60.65 61.00 2i9t s ILE 566 Cb -0.37 -0.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 2i9t s ILE 566 CO 0.44 -0.05 0.09 -0.31 0.00 0.00 0.00 174.94 175.12 2i9t s TYR 567 N -0.10 3.30 -0.17 3.97 1.51 -1.26 -2.10 117.35 122.50 2i9t s TYR 567 Ca -0.02 0.16 0.01 0.00 -1.01 0.00 0.00 57.07 56.21 2i9t s TYR 567 Cb -0.02 -2.12 0.02 0.00 -0.11 0.00 0.00 41.96 39.73 2i9t s TYR 567 CO 0.00 0.18 -0.19 -1.17 -1.11 0.00 0.00 175.55 173.26 2i9t s LEU 568 N 0.45 2.02 -0.25 -1.29 0.20 -0.07 -2.14 118.68 117.60 2i9t s LEU 568 Ca 0.05 -0.61 -0.14 0.00 0.69 0.00 0.00 54.13 54.12 2i9t s LEU 568 Cb -0.12 -1.41 -0.04 0.00 -0.43 0.00 0.00 46.19 44.19 2i9t s LEU 568 CO -0.00 -0.01 0.33 -0.76 -0.29 0.00 0.00 176.35 175.62 2i9t s LEU 569 N 1.32 4.07 0.30 -0.68 1.43 0.56 -0.85 118.68 124.84 2i9t s LEU 569 Ca 0.05 0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.45 2i9t s LEU 569 Cb -0.13 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 2i9t s LEU 569 CO -0.12 -0.12 0.14 0.00 0.23 0.00 0.00 176.35 176.48 2i9t s ASP 571 N -3.39 5.70 -0.07 0.00 1.11 -1.21 -4.41 116.67 114.41 2i9t s ASP 571 Ca 0.35 1.18 -0.37 0.00 0.18 0.00 0.00 52.55 53.89 2i9t s ASP 571 Cb 0.05 -2.08 -0.18 0.00 1.07 0.00 0.00 42.92 41.79 2i9t s ASP 571 CO 0.16 -1.17 1.05 1.17 1.18 0.00 0.00 175.17 177.56 2i9t n LYS 572 N -2.89 0.00 -4.07 8.23 4.81 -1.24 -4.71 118.16 118.29 2i9t n LYS 572 Ca 0.06 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.40 2i9t n LYS 572 Cb 0.56 -1.37 -0.08 0.00 0.02 0.00 0.00 35.03 34.16 2i9t n LYS 572 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 2i9t s VAL 573 N 0.41 0.06 -0.20 3.15 -7.23 -0.63 -4.87 120.40 111.08 2i9t s VAL 573 Ca 0.85 -1.68 -0.07 0.00 -1.81 0.00 0.00 61.98 59.27 2i9t s VAL 573 Cb -1.19 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 33.66 2i9t s VAL 573 CO 0.55 -0.28 0.05 -1.10 -0.31 0.00 0.00 175.10 174.01 2i9t s GLN 574 N -4.03 3.81 0.30 4.82 -0.21 -1.26 -4.53 119.66 118.55 2i9t s GLN 574 Ca 0.24 -0.42 0.00 0.00 0.02 0.00 0.00 55.36 55.20 2i9t s GLN 574 Cb 0.05 -3.21 0.51 0.00 1.00 0.00 0.00 33.01 31.35 2i9t s GLN 574 CO 0.03 0.09 1.91 1.57 -2.12 0.00 0.00 175.29 176.78 2i9t h LYS 575 N 7.29 1.03 -0.00 2.91 2.10 -1.94 -2.04 116.57 125.91 2i9t h LYS 575 Ca -0.36 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 2i9t h LYS 575 Cb 1.18 -0.23 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 2i9t h LYS 575 CO 0.64 0.68 -0.01 -0.25 -2.00 0.00 0.00 179.45 178.51 2i9t n ASP 576 N -4.48 0.42 -1.31 7.07 8.00 -1.26 -3.92 116.55 121.05 2i9t n ASP 576 Ca 0.14 -1.06 0.04 0.00 0.71 0.00 0.00 54.79 54.62 2i9t n ASP 576 Cb 0.18 -0.02 0.06 0.00 -0.02 0.00 0.00 41.12 41.32 2i9t n ASP 576 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2i9t n ASP 577 N -0.71 1.13 -4.13 -2.24 2.03 -0.80 -5.00 116.55 106.83 2i9t n ASP 577 Ca 0.22 -2.37 -0.16 0.00 0.52 0.00 0.00 54.79 53.00 2i9t n ASP 577 Cb 0.19 -0.34 -0.12 0.00 -0.72 0.00 0.00 41.12 40.13 2i9t n ASP 577 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2i9t s ILE 578 N -0.62 0.89 -0.00 5.18 1.10 -1.03 -2.22 121.20 124.50 2i9t s ILE 578 Ca 0.34 -1.25 -0.20 0.00 -0.51 0.00 0.00 60.65 59.04 2i9t s ILE 578 Cb 0.38 -0.92 0.04 0.00 0.15 0.00 0.00 42.46 42.11 2i9t s ILE 578 CO -0.15 -0.30 0.43 0.00 -2.11 0.00 0.00 174.94 172.81 2i9t s GLN 579 N -1.75 0.84 -0.23 3.50 -2.07 -0.33 -4.89 119.66 114.73 2i9t s GLN 579 Ca -0.04 -0.15 -0.09 0.00 -1.82 0.00 0.00 55.36 53.26 2i9t s GLN 579 Cb -0.10 0.38 -0.04 0.00 -1.09 0.00 0.00 33.01 32.16 2i9t s GLN 579 CO 0.01 -0.26 0.11 0.42 -1.32 0.00 0.00 175.29 174.26 2i9t s ILE 580 N -1.68 4.93 -0.26 3.63 1.09 -1.26 -0.86 121.20 126.78 2i9t s ILE 580 Ca -0.10 0.03 -0.02 0.00 -1.10 0.00 0.00 60.65 59.46 2i9t s ILE 580 Cb -0.03 -3.29 0.03 0.00 -1.06 0.00 0.00 42.46 38.12 2i9t s ILE 580 CO 0.03 0.36 -0.03 -0.60 -0.10 0.00 0.00 174.94 174.60 2i9t s ARG 581 N 1.11 2.76 0.08 2.79 3.52 0.14 -1.45 118.95 127.90 2i9t s ARG 581 Ca 0.06 -1.04 -0.15 0.00 -0.13 0.00 0.00 55.73 54.47 2i9t s ARG 581 Cb -0.14 -3.06 -0.06 0.00 -1.56 0.00 0.00 34.95 30.12 2i9t s ARG 581 CO 0.04 -0.46 0.49 -0.06 -0.81 0.00 0.00 175.30 174.51 2i9t s PHE 582 N 1.32 3.67 0.03 5.12 0.40 0.23 -1.36 117.98 127.39 2i9t s PHE 582 Ca -0.01 1.04 -0.25 0.00 -0.60 0.00 0.00 56.93 57.11 2i9t s PHE 582 Cb -0.17 -2.34 0.06 0.00 0.51 0.00 0.00 43.02 41.07 2i9t s PHE 582 CO -0.03 0.53 0.58 1.52 0.70 0.00 0.00 175.22 178.52 2i9t s TYR 583 N -1.29 -0.52 -0.04 0.36 1.13 -0.18 0.07 117.35 116.88 2i9t s TYR 583 Ca 0.32 0.67 0.01 0.00 -1.41 0.00 0.00 57.07 56.66 2i9t s TYR 583 Cb -0.16 0.39 0.02 0.00 -1.10 0.00 0.00 41.96 41.11 2i9t s TYR 583 CO 0.18 -0.66 -0.04 -2.00 -2.51 0.00 0.00 175.55 170.52 2i9t s GLU 584 N -2.17 0.74 -0.06 -3.49 2.12 0.14 -2.32 118.70 113.66 2i9t s GLU 584 Ca -0.07 -0.07 -0.22 0.00 0.36 0.00 0.00 54.97 54.97 2i9t s GLU 584 Cb -0.01 -0.78 -0.04 0.00 0.26 0.00 0.00 34.13 33.56 2i9t s GLU 584 CO 0.01 -0.10 0.66 -1.21 -0.54 0.00 0.00 175.26 174.08 2i9t s GLU 585 N 0.96 4.41 0.00 4.30 2.02 -1.26 -1.11 118.70 128.02 2i9t s GLU 585 Ca -0.10 0.80 0.00 0.00 0.02 0.00 0.00 54.97 55.69 2i9t s GLU 585 Cb -0.14 -3.43 0.00 0.00 0.10 0.00 0.00 34.13 30.66 2i9t s GLU 585 CO -0.00 0.13 0.00 -0.85 0.02 0.00 0.00 175.26 174.56 2i9t n GLU 586 N 3.58 2.89 -0.01 1.61 -0.00 0.10 -4.99 120.64 123.82 2i9t n GLU 586 Ca -0.03 0.00 0.02 0.00 -0.00 0.00 0.00 57.16 57.15 2i9t n GLU 586 Cb 0.51 0.00 -0.05 0.00 -0.00 0.00 0.00 31.44 31.91 2i9t n GLU 586 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2i9t n GLU 587 N 0.00 0.86 -0.81 3.44 4.71 -1.26 -4.52 120.64 123.06 2i9t n GLU 587 Ca 0.00 -0.04 -0.16 0.00 -0.01 0.00 0.00 57.16 56.95 2i9t n GLU 587 Cb 0.00 -1.15 0.11 0.00 -1.01 0.00 0.00 31.44 29.40 2i9t n GLU 587 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 2i9t n ASN 588 N -1.83 3.66 -0.51 1.62 6.94 -1.26 -4.82 115.26 119.06 2i9t n ASN 588 Ca -0.03 -3.06 -0.07 0.00 -0.02 0.00 0.00 54.58 51.41 2i9t n ASN 588 Cb 0.28 -0.74 -0.03 0.00 -2.36 0.00 0.00 39.78 36.94 2i9t n ASN 588 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2i9t n GLY 589 N -0.54 0.72 3.95 4.83 0.00 -1.26 -4.97 105.19 107.92 2i9t n GLY 589 Ca 0.39 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 46.09 2i9t n GLY 589 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2i9t s GLY 590 N -2.33 1.63 -0.06 -0.02 0.00 -1.26 -4.91 107.32 100.37 2i9t s GLY 590 Ca 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 44.72 43.61 2i9t s GLY 590 CO 0.00 -0.88 0.14 0.14 0.00 0.00 0.00 173.10 172.49 2i9t s VAL 591 N -2.64 -0.05 0.01 1.40 1.01 -1.26 0.03 120.40 118.90 2i9t s VAL 591 Ca 0.51 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.66 2i9t s VAL 591 Cb -0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 2i9t s VAL 591 CO 0.39 0.07 0.13 0.86 0.00 0.00 0.00 175.10 176.55 2i9t s TRP 592 N 1.16 3.39 0.02 5.22 -0.00 -0.26 -4.95 118.94 123.51 2i9t s TRP 592 Ca -0.09 0.25 -0.05 0.00 -0.00 0.00 0.00 56.10 56.21 2i9t s TRP 592 Cb -0.12 -1.76 -0.01 0.00 -0.00 0.00 0.00 33.47 31.59 2i9t s TRP 592 CO -0.06 0.59 0.09 -1.83 -0.00 0.00 0.00 176.95 175.74 2i9t s GLU 593 N -1.94 0.48 0.04 5.86 -1.05 -1.26 -0.68 118.70 120.15 2i9t s GLU 593 Ca 0.26 -0.54 -0.03 0.00 -0.15 0.00 0.00 54.97 54.51 2i9t s GLU 593 Cb -0.12 0.19 -0.02 0.00 -0.44 0.00 0.00 34.13 33.74 2i9t s GLU 593 CO 0.18 -0.11 0.03 0.20 0.95 0.00 0.00 175.26 176.50 2i9t s GLY 594 N -1.61 0.30 -0.07 -3.83 0.00 0.11 -4.97 107.32 97.24 2i9t s GLY 594 Ca -0.12 -0.83 0.02 0.00 0.00 0.00 0.00 44.72 43.80 2i9t s GLY 594 CO -0.01 -0.94 -0.13 -1.36 0.00 0.00 0.00 173.10 170.66 2i9t s PHE 595 N -3.00 1.60 0.45 1.90 0.08 -1.26 0.73 117.98 118.48 2i9t s PHE 595 Ca -0.02 -0.61 -0.23 0.00 0.12 0.00 0.00 56.93 56.19 2i9t s PHE 595 Cb 0.01 -1.16 -0.10 0.00 -0.57 0.00 0.00 43.02 41.20 2i9t s PHE 595 CO -0.07 -0.31 0.88 0.41 -0.10 0.00 0.00 175.22 176.04 2i9t n GLY 596 N 3.83 -0.55 3.74 4.36 0.00 -0.53 -4.47 105.19 111.57 2i9t n GLY 596 Ca -0.22 0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 2i9t n GLY 596 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2i9t s ASP 597 N -0.87 6.12 -0.11 1.61 3.68 0.16 -4.67 116.67 122.57 2i9t s ASP 597 Ca 0.65 0.24 -0.33 0.00 2.13 0.00 0.00 52.55 55.24 2i9t s ASP 597 Cb -0.54 -2.05 0.13 0.00 -1.45 0.00 0.00 42.92 39.01 2i9t s ASP 597 CO 0.56 0.23 1.30 0.72 0.13 0.00 0.00 175.17 178.10 2i9t s PHE 598 N 0.08 -0.06 0.31 -5.34 -0.12 -1.26 -1.33 117.98 110.26 2i9t s PHE 598 Ca 0.08 -0.00 0.09 0.00 -0.05 0.00 0.00 56.93 57.06 2i9t s PHE 598 Cb -0.11 0.53 -0.05 0.00 -0.63 0.00 0.00 43.02 42.75 2i9t s PHE 598 CO -0.00 -0.18 0.01 -1.12 -0.05 0.00 0.00 175.22 173.87 2i9t s SER 599 N -2.63 4.31 0.29 1.98 0.01 -1.26 -5.00 113.70 111.40 2i9t s SER 599 Ca 0.13 -0.85 0.02 0.00 1.31 0.00 0.00 55.95 56.55 2i9t s SER 599 Cb 0.03 -0.64 0.60 0.00 0.21 0.00 0.00 66.02 66.22 2i9t s SER 599 CO -0.04 -0.15 1.82 -0.65 0.41 0.00 0.00 173.24 174.63 2i9t h PRO 600 N 1.84 0.90 0.00 12.44 0.11 -1.98 0.56 132.00 145.86 2i9t h PRO 600 Ca -0.43 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2i9t h PRO 600 Cb 1.25 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2i9t h PRO 600 CO 0.64 0.59 0.03 0.25 -0.21 0.00 0.00 178.00 179.30 2i9t n THR 601 N -4.67 1.67 0.94 -1.15 -2.24 -1.26 -0.30 114.28 107.26 2i9t n THR 601 Ca 0.20 0.56 0.08 0.00 -2.27 0.00 0.00 64.05 62.62 2i9t n THR 601 Cb 0.41 -1.56 0.26 0.00 -2.10 0.00 0.00 70.33 67.34 2i9t n THR 601 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2i9t n ASP 602 N -1.65 1.96 -4.37 3.42 8.00 0.20 -4.78 116.55 119.33 2i9t n ASP 602 Ca -0.00 -1.88 -0.37 0.00 0.71 0.00 0.00 54.79 53.25 2i9t n ASP 602 Cb 0.04 -0.20 -0.13 0.00 -0.02 0.00 0.00 41.12 40.82 2i9t n ASP 602 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2i9t s VAL 603 N -1.61 4.06 -0.56 2.53 1.01 0.59 -1.34 120.40 125.08 2i9t s VAL 603 Ca 0.29 -0.57 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 2i9t s VAL 603 Cb 0.15 -3.05 0.04 0.00 0.00 0.00 0.00 36.38 33.53 2i9t s VAL 603 CO 0.22 0.14 1.01 -2.28 0.00 0.00 0.00 175.10 174.19 2i9t s HIS 604 N 1.53 2.74 -1.76 5.22 2.46 0.18 -4.43 115.29 121.23 2i9t s HIS 604 Ca 0.04 0.12 -0.17 0.00 0.47 0.00 0.00 55.06 55.51 2i9t s HIS 604 Cb -0.17 -4.19 0.16 0.00 -0.13 0.00 0.00 32.58 28.25 2i9t s HIS 604 CO 0.03 -1.41 0.53 0.54 -2.47 0.00 0.00 174.74 171.95 2i9t n ARG 605 N 7.73 -1.47 -0.38 2.88 3.00 -1.26 -0.86 116.66 126.29 2i9t n ARG 605 Ca 0.04 0.20 0.00 0.00 -0.01 0.00 0.00 57.85 58.08 2i9t n ARG 605 Cb 0.48 -4.59 0.00 0.00 0.00 0.00 0.00 32.46 28.35 2i9t n ARG 605 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2i9t n GLN 606 N -4.25 0.00 -0.11 5.56 6.02 -1.26 -4.72 117.38 118.62 2i9t n GLN 606 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.06 2i9t n GLN 606 Cb 0.52 -4.05 0.12 0.00 1.02 0.00 0.00 30.24 27.85 2i9t n GLN 606 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2i9t n PHE 607 N -2.00 0.28 -3.58 1.08 3.01 -0.04 -1.61 117.46 114.60 2i9t n PHE 607 Ca 0.00 -0.25 -0.13 0.00 1.01 0.00 0.00 57.45 58.09 2i9t n PHE 607 Cb 0.00 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.40 2i9t n PHE 607 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2i9t s ALA 608 N -1.07 -1.88 -0.03 4.37 0.00 -1.06 -1.95 121.76 120.15 2i9t s ALA 608 Ca 0.22 1.64 0.03 0.00 0.00 0.00 0.00 51.96 53.85 2i9t s ALA 608 Cb 0.13 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.50 2i9t s ALA 608 CO 0.18 -0.31 -0.11 0.42 0.00 0.00 0.00 175.76 175.94 2i9t s ILE 609 N -0.66 0.96 -0.30 0.00 1.01 -0.03 0.48 121.20 122.66 2i9t s ILE 609 Ca -0.03 -0.46 -0.05 0.00 0.00 0.00 0.00 60.65 60.11 2i9t s ILE 609 Cb -0.02 -0.84 0.03 0.00 0.01 0.00 0.00 42.46 41.64 2i9t s ILE 609 CO 0.02 0.29 0.05 -0.69 0.00 0.00 0.00 174.94 174.61 2i9t s VAL 610 N 0.12 3.54 0.39 2.92 1.01 -0.45 -0.89 120.40 127.04 2i9t s VAL 610 Ca -0.03 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.95 2i9t s VAL 610 Cb -0.09 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 2i9t s VAL 610 CO 0.01 -0.03 0.09 0.72 0.00 0.00 0.00 175.10 175.89 2i9t s PHE 611 N 1.39 1.86 -0.08 5.22 -0.71 -0.89 -4.79 117.98 119.98 2i9t s PHE 611 Ca -0.01 -1.13 0.03 0.00 -1.04 0.00 0.00 56.93 54.78 2i9t s PHE 611 Cb -0.18 -1.26 -0.02 0.00 -1.21 0.00 0.00 43.02 40.35 2i9t s PHE 611 CO 0.01 -0.13 -0.18 0.15 -1.34 0.00 0.00 175.22 173.73 2i9t s LYS 612 N -3.79 2.80 0.76 1.99 1.02 -0.44 -1.13 119.74 120.95 2i9t s LYS 612 Ca 0.26 -0.77 -0.14 0.00 0.02 0.00 0.00 55.97 55.34 2i9t s LYS 612 Cb 0.05 -2.38 0.06 0.00 -0.52 0.00 0.00 37.83 35.04 2i9t s LYS 612 CO 0.14 0.40 1.17 0.95 -0.92 0.00 0.00 175.35 177.09 2i9t s THR 613 N -0.17 2.45 0.45 2.17 -4.23 -0.32 -0.67 115.64 115.32 2i9t s THR 613 Ca -0.02 0.19 -0.00 0.00 -1.18 0.00 0.00 61.69 60.69 2i9t s THR 613 Cb -0.14 -2.64 -0.00 0.00 1.34 0.00 0.00 72.50 71.06 2i9t s THR 613 CO 0.03 -0.14 0.68 -2.16 -0.54 0.00 0.00 174.62 172.49 2i9t s PRO 614 N -4.17 3.08 0.38 3.99 0.04 -1.26 -0.85 135.00 136.20 2i9t s PRO 614 Ca 0.71 -0.44 -0.26 0.00 0.04 0.00 0.00 61.00 61.04 2i9t s PRO 614 Cb -0.26 -2.54 -0.09 0.00 0.04 0.00 0.00 34.50 31.65 2i9t s PRO 614 CO 0.48 -0.28 1.21 0.15 0.04 0.00 0.00 177.00 178.61 2i9t s LYS 615 N -4.57 4.15 0.81 4.56 1.02 -1.26 -4.21 119.74 120.24 2i9t s LYS 615 Ca 0.48 1.95 -0.12 0.00 0.02 0.00 0.00 55.97 58.31 2i9t s LYS 615 Cb -0.10 -2.81 0.08 0.00 -0.52 0.00 0.00 37.83 34.48 2i9t s LYS 615 CO 0.38 -0.27 1.12 -0.47 -0.92 0.00 0.00 175.35 175.19 2i9t s TYR 616 N -1.31 2.84 0.00 3.18 5.04 -0.10 -4.93 117.35 122.07 2i9t s TYR 616 Ca 0.54 1.02 0.00 0.00 -2.44 0.00 0.00 57.07 56.19 2i9t s TYR 616 Cb -0.34 -3.22 0.00 0.00 0.35 0.00 0.00 41.96 38.76 2i9t s TYR 616 CO 0.43 -1.83 0.86 1.17 -1.34 0.00 0.00 175.55 174.84 2i9t n LYS 617 N -3.44 0.00 -3.96 4.97 4.81 -1.26 -4.29 118.16 114.99 2i9t n LYS 617 Ca 0.07 0.82 -0.34 0.00 -0.87 0.00 0.00 58.31 57.99 2i9t n LYS 617 Cb 0.58 -1.36 -0.14 0.00 0.02 0.00 0.00 35.03 34.12 2i9t n LYS 617 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2i9t s ASP 618 N -2.92 4.28 0.00 3.14 -4.77 -1.26 -4.99 116.67 110.15 2i9t s ASP 618 Ca 0.00 -0.81 0.00 0.00 -3.30 0.00 0.00 52.55 48.44 2i9t s ASP 618 Cb 0.00 -1.67 0.00 0.00 -1.09 0.00 0.00 42.92 40.16 2i9t s ASP 618 CO 0.00 -0.11 0.66 1.33 0.70 0.00 0.00 175.17 177.75 2i9t n VAL 619 N 4.68 0.48 -0.71 2.11 0.24 -1.26 -3.35 118.33 120.52 2i9t n VAL 619 Ca -0.17 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.17 2i9t n VAL 619 Cb 0.48 -0.71 0.05 0.00 -1.47 0.00 0.00 33.84 32.19 2i9t n VAL 619 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2i9t n ASN 620 N 0.36 1.65 -4.73 -1.34 3.02 -1.26 -4.85 115.26 108.11 2i9t n ASN 620 Ca 0.00 -2.25 -0.32 0.00 -0.03 0.00 0.00 54.58 51.98 2i9t n ASN 620 Cb 0.33 -0.17 0.11 0.00 -0.61 0.00 0.00 39.78 39.44 2i9t n ASN 620 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2i9t s ILE 621 N -1.42 2.75 -0.17 2.41 -4.36 -1.21 -4.98 121.20 114.22 2i9t s ILE 621 Ca 0.11 0.27 0.05 0.00 -0.26 0.00 0.00 60.65 60.82 2i9t s ILE 621 Cb 0.10 -2.61 -0.14 0.00 1.25 0.00 0.00 42.46 41.06 2i9t s ILE 621 CO 0.01 -0.29 -0.09 0.41 0.24 0.00 0.00 174.94 175.22 2i9t n THR 622 N -3.54 1.02 -3.95 8.37 -1.04 -1.26 -4.61 114.28 109.27 2i9t n THR 622 Ca 0.11 -0.47 -0.22 0.00 -2.04 0.00 0.00 64.05 61.43 2i9t n THR 622 Cb 0.52 -0.97 -0.05 0.00 -1.82 0.00 0.00 70.33 68.02 2i9t n THR 622 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 2i9t s LYS 623 N -2.36 2.61 0.34 -2.82 -0.14 -1.26 -4.74 119.74 111.37 2i9t s LYS 623 Ca -0.19 -1.36 -0.28 0.00 -1.36 0.00 0.00 55.97 52.78 2i9t s LYS 623 Cb 0.06 -2.37 -0.09 0.00 -1.68 0.00 0.00 37.83 33.74 2i9t s LYS 623 CO 0.48 0.13 1.22 -2.14 -0.76 0.00 0.00 175.35 174.28 2i9t s PRO 624 N -3.92 4.32 -0.28 -1.68 0.02 -1.26 -4.69 135.00 127.50 2i9t s PRO 624 Ca 0.39 2.00 -0.03 0.00 0.02 0.00 0.00 61.00 63.38 2i9t s PRO 624 Cb -0.05 -2.97 0.03 0.00 0.02 0.00 0.00 34.50 31.53 2i9t s PRO 624 CO 0.25 -0.14 0.00 0.00 -0.33 0.00 0.00 177.00 176.78 2i9t s ALA 625 N -1.23 2.85 0.28 -1.55 0.00 -0.51 -4.97 121.76 116.63 2i9t s ALA 625 Ca 0.51 -1.55 -0.29 0.00 0.00 0.00 0.00 51.96 50.62 2i9t s ALA 625 Cb -0.35 -1.92 -0.10 0.00 0.00 0.00 0.00 23.12 20.76 2i9t s ALA 625 CO 0.46 -0.99 1.13 -1.12 0.00 0.00 0.00 175.76 175.23 2i9t s SER 626 N 1.36 7.21 0.09 0.00 0.01 -1.26 -2.40 113.70 118.71 2i9t s SER 626 Ca -0.01 2.31 0.01 0.00 1.31 0.00 0.00 55.95 59.58 2i9t s SER 626 Cb -0.18 -2.63 -0.00 0.00 0.21 0.00 0.00 66.02 63.42 2i9t s SER 626 CO -0.01 -0.19 0.10 0.52 0.41 0.00 0.00 173.24 174.06 2i9t n VAL 627 N 1.20 0.00 -4.22 3.43 0.31 0.26 -4.98 118.33 114.33 2i9t n VAL 627 Ca -0.01 -0.58 -0.20 0.00 -0.01 0.00 0.00 64.34 63.54 2i9t n VAL 627 Cb 0.44 0.31 -0.12 0.00 -0.91 0.00 0.00 33.84 33.57 2i9t n VAL 627 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2i9t s PHE 628 N -3.20 1.46 0.09 3.52 0.08 -0.98 -0.52 117.98 118.43 2i9t s PHE 628 Ca 0.09 -0.45 0.08 0.00 0.12 0.00 0.00 56.93 56.77 2i9t s PHE 628 Cb 0.00 -0.80 -0.03 0.00 -0.57 0.00 0.00 43.02 41.62 2i9t s PHE 628 CO 0.07 0.13 -0.21 0.08 -0.10 0.00 0.00 175.22 175.18 2i9t s VAL 629 N -1.34 1.72 -0.02 -0.44 1.01 0.11 -1.01 120.40 120.43 2i9t s VAL 629 Ca 0.03 -1.47 -0.29 0.00 0.00 0.00 0.00 61.98 60.24 2i9t s VAL 629 Cb -0.09 -1.55 0.07 0.00 0.00 0.00 0.00 36.38 34.80 2i9t s VAL 629 CO 0.03 0.01 0.65 0.00 0.00 0.00 0.00 175.10 175.79 2i9t s GLN 630 N -1.74 1.08 0.32 2.72 -2.07 -0.47 -0.89 119.66 118.61 2i9t s GLN 630 Ca 0.07 0.13 -0.14 0.00 -1.82 0.00 0.00 55.36 53.59 2i9t s GLN 630 Cb -0.10 0.51 -0.09 0.00 -1.09 0.00 0.00 33.01 32.24 2i9t s GLN 630 CO 0.04 -0.36 0.72 -0.51 -1.32 0.00 0.00 175.29 173.85 2i9t s LEU 631 N -1.44 4.06 -0.12 2.60 1.43 -1.26 0.24 118.68 124.19 2i9t s LEU 631 Ca -0.09 1.23 -0.10 0.00 -1.03 0.00 0.00 54.13 54.15 2i9t s LEU 631 Cb -0.00 -4.04 0.03 0.00 0.03 0.00 0.00 46.19 42.21 2i9t s LEU 631 CO 0.06 -0.20 0.30 -0.60 0.23 0.00 0.00 176.35 176.14 2i9t s ARG 632 N -3.01 0.33 -0.31 1.70 3.52 -0.04 -1.86 118.95 119.29 2i9t s ARG 632 Ca 0.53 0.47 -0.17 0.00 -0.13 0.00 0.00 55.73 56.43 2i9t s ARG 632 Cb -0.10 0.11 -0.02 0.00 -1.56 0.00 0.00 34.95 33.38 2i9t s ARG 632 CO 0.18 -0.07 0.46 0.50 -0.81 0.00 0.00 175.30 175.57 2i9t s ARG 633 N 0.44 3.83 0.23 5.12 3.52 -0.02 -1.19 118.95 130.88 2i9t s ARG 633 Ca -0.02 -0.01 -0.10 0.00 -0.13 0.00 0.00 55.73 55.47 2i9t s ARG 633 Cb -0.04 -3.73 0.34 0.00 -1.56 0.00 0.00 34.95 29.96 2i9t s ARG 633 CO -0.02 -0.46 1.64 0.87 -0.81 0.00 0.00 175.30 176.51 2i9t h LYS 634 N 8.27 0.07 0.46 5.12 1.57 -1.77 0.40 116.57 130.68 2i9t h LYS 634 Ca -0.29 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 2i9t h LYS 634 Cb 1.14 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 2i9t h LYS 634 CO 0.72 0.04 -0.34 1.03 -0.57 0.00 0.00 179.45 180.33 2i9t h SER 635 N 0.07 -0.89 0.48 0.86 0.87 -1.94 -3.24 113.55 109.77 2i9t h SER 635 Ca 0.36 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 2i9t h SER 635 Cb 0.59 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 2i9t h SER 635 CO -0.63 -0.49 -0.39 0.47 -0.53 0.00 0.00 176.83 175.26 2i9t n ASP 636 N -4.47 0.55 -1.33 6.23 9.92 -1.20 -4.88 116.55 121.37 2i9t n ASP 636 Ca -0.09 -0.33 -0.17 0.00 -0.53 0.00 0.00 54.79 53.67 2i9t n ASP 636 Cb 0.33 0.15 -0.07 0.00 -0.64 0.00 0.00 41.12 40.88 2i9t n ASP 636 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2i9t n LEU 637 N -1.31 -1.20 -4.72 0.64 7.94 0.14 -4.92 117.00 113.57 2i9t n LEU 637 Ca 0.07 0.43 -0.42 0.00 -1.11 0.00 0.00 56.01 54.99 2i9t n LEU 637 Cb 0.33 -2.59 -0.03 0.00 0.53 0.00 0.00 43.42 41.66 2i9t n LEU 637 CO 0.32 -0.97 0.69 -0.70 -1.11 0.00 0.00 177.39 175.61 2i9t s GLU 638 N -3.46 4.60 0.53 1.96 2.56 -1.21 -4.77 118.70 118.91 2i9t s GLU 638 Ca 0.00 1.45 0.01 0.00 0.00 0.00 0.00 54.97 56.43 2i9t s GLU 638 Cb 0.00 -3.42 0.01 0.00 2.00 0.00 0.00 34.13 32.71 2i9t s GLU 638 CO 0.00 0.03 0.04 0.25 -0.56 0.00 0.00 175.26 175.03 2i9t n THR 639 N 3.50 0.00 -3.99 -1.70 -2.24 -1.26 -0.84 114.28 107.74 2i9t n THR 639 Ca 0.05 -2.45 -0.24 0.00 -2.27 0.00 0.00 64.05 59.14 2i9t n THR 639 Cb 0.50 0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 69.12 2i9t n THR 639 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2i9t s SER 640 N -3.92 4.58 0.61 3.42 1.04 -0.78 -4.74 113.70 113.90 2i9t s SER 640 Ca 0.03 -1.04 -0.19 0.00 0.48 0.00 0.00 55.95 55.23 2i9t s SER 640 Cb -0.00 -0.38 -0.03 0.00 0.10 0.00 0.00 66.02 65.71 2i9t s SER 640 CO 0.02 -0.64 1.32 -0.70 0.98 0.00 0.00 173.24 174.22 2i9t s GLU 641 N -4.00 2.78 0.40 4.02 2.56 -1.26 -4.68 118.70 118.52 2i9t s GLU 641 Ca 0.41 2.13 -0.04 0.00 0.00 0.00 0.00 54.97 57.47 2i9t s GLU 641 Cb 0.02 -2.00 -0.04 0.00 2.00 0.00 0.00 34.13 34.10 2i9t s GLU 641 CO 0.23 -1.44 0.67 -1.25 -0.56 0.00 0.00 175.26 172.92 2i9t s PRO 642 N -3.20 3.56 -0.04 4.30 0.04 -1.26 -4.69 135.00 133.70 2i9t s PRO 642 Ca 0.78 0.02 0.03 0.00 0.04 0.00 0.00 61.00 61.88 2i9t s PRO 642 Cb -0.39 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.65 2i9t s PRO 642 CO 0.43 -0.02 -0.14 0.15 0.04 0.00 0.00 177.00 177.46 2i9t s LYS 643 N -4.36 1.54 0.35 4.56 3.01 -0.07 -4.93 119.74 119.83 2i9t s LYS 643 Ca 0.45 -0.49 -0.29 0.00 -1.01 0.00 0.00 55.97 54.63 2i9t s LYS 643 Cb -0.10 -1.34 -0.11 0.00 -1.01 0.00 0.00 37.83 35.27 2i9t s LYS 643 CO 0.39 0.17 1.41 -2.14 0.51 0.00 0.00 175.35 175.69 2i9t s PRO 644 N 0.19 4.22 -0.04 -1.68 0.02 -1.26 0.05 135.00 136.50 2i9t s PRO 644 Ca -0.05 2.40 0.01 0.00 0.02 0.00 0.00 61.00 63.38 2i9t s PRO 644 Cb -0.11 -3.02 0.02 0.00 0.02 0.00 0.00 34.50 31.40 2i9t s PRO 644 CO 0.02 -0.38 -0.05 0.12 -0.33 0.00 0.00 177.00 176.37 2i9t s PHE 645 N -1.01 0.76 -0.26 6.54 5.36 0.33 -4.83 117.98 124.86 2i9t s PHE 645 Ca 0.52 -0.20 -0.10 0.00 -0.96 0.00 0.00 56.93 56.19 2i9t s PHE 645 Cb -0.43 -0.64 -0.04 0.00 -0.34 0.00 0.00 43.02 41.56 2i9t s PHE 645 CO 0.57 -0.17 0.14 -0.51 -1.46 0.00 0.00 175.22 173.79 2i9t s LEU 646 N 0.75 3.81 -0.09 6.12 1.43 -0.34 -0.58 118.68 129.79 2i9t s LEU 646 Ca -0.10 -0.07 -0.08 0.00 -1.03 0.00 0.00 54.13 52.85 2i9t s LEU 646 Cb -0.13 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 2i9t s LEU 646 CO 0.00 -0.03 0.19 -0.31 0.23 0.00 0.00 176.35 176.44 2i9t s TYR 647 N 1.62 3.61 0.11 0.29 2.02 -1.01 -0.87 117.35 123.13 2i9t s TYR 647 Ca 0.07 0.59 0.02 0.00 -0.37 0.00 0.00 57.07 57.38 2i9t s TYR 647 Cb -0.15 -1.99 -0.04 0.00 -0.40 0.00 0.00 41.96 39.38 2i9t s TYR 647 CO 0.08 0.71 -0.06 1.52 -1.57 0.00 0.00 175.55 176.23 2i9t s TYR 648 N -1.08 0.96 0.96 2.71 -0.85 -0.48 -1.43 117.35 118.14 2i9t s TYR 648 Ca 0.18 -0.92 -0.11 0.00 -0.52 0.00 0.00 57.07 55.70 2i9t s TYR 648 Cb -0.13 -0.55 0.14 0.00 0.38 0.00 0.00 41.96 41.81 2i9t s TYR 648 CO 0.07 -0.14 0.94 -2.30 -1.52 0.00 0.00 175.55 172.60 2i9t n PRO 649 N -0.08 -0.69 0.00 -3.49 -0.02 -1.26 -1.21 135.00 128.24 2i9t n PRO 649 Ca -0.11 -0.15 0.14 0.00 -2.02 0.00 0.00 63.50 61.36 2i9t n PRO 649 Cb 0.61 -2.23 0.60 0.00 -0.02 0.00 0.00 33.50 32.46 2i9t n PRO 649 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87