#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3y n THR 343 N 0.00 1.01 -0.26 0.00 -2.24 -1.26 -2.44 114.28 109.09 3h3y n THR 343 Ca 0.00 0.73 -0.00 0.00 -2.27 0.00 0.00 64.05 62.51 3h3y n THR 343 Cb 0.00 -1.72 0.12 0.00 -2.10 0.00 0.00 70.33 66.63 3h3y n THR 343 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 3h3y h ASP 344 N 0.00 0.61 0.00 3.42 1.82 -2.01 -2.53 116.42 117.73 3h3y h ASP 344 Ca 0.00 0.03 -0.03 0.00 -0.39 0.00 0.00 57.03 56.65 3h3y h ASP 344 Cb 0.01 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 39.93 3h3y h ASP 344 CO 0.00 0.38 -1.50 0.00 -1.61 0.00 0.00 179.24 176.51 3h3y n TYR 345 N -4.76 0.00 -0.27 0.28 4.19 -1.09 -4.58 117.16 110.93 3h3y n TYR 345 Ca 0.10 0.00 -0.06 0.00 3.31 0.00 0.00 57.90 61.25 3h3y n TYR 345 Cb 0.20 -0.27 0.05 0.00 0.49 0.00 0.00 39.34 39.81 3h3y n TYR 345 CO 0.00 0.00 0.00 -0.44 0.91 0.00 0.00 176.86 177.33 3h3y h ASP 346 N 0.00 1.03 -0.20 2.98 3.32 -1.46 -3.01 116.42 119.08 3h3y h ASP 346 Ca -0.04 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 3h3y h ASP 346 Cb 0.65 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 3h3y h ASP 346 CO 0.00 0.93 0.12 0.71 -1.72 0.00 0.00 179.24 179.28 3h3y h THR 347 N 1.06 1.09 0.00 0.35 1.35 -1.70 0.31 112.91 115.38 3h3y h THR 347 Ca 0.24 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3h3y h THR 347 Cb 0.24 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 3h3y h THR 347 CO -0.02 0.09 0.00 0.49 -0.25 0.00 0.00 175.52 175.83 3h3y n PHE 348 N -4.91 0.00 -0.16 4.73 3.72 -1.17 0.64 117.46 120.31 3h3y n PHE 348 Ca -0.03 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.48 3h3y n PHE 348 Cb 0.06 -0.17 0.22 0.00 -0.94 0.00 0.00 39.48 38.65 3h3y n PHE 348 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3h3y n VAL 349 N -1.29 -0.21 0.40 -4.37 0.31 -1.14 0.52 118.33 112.55 3h3y n VAL 349 Ca 0.00 1.04 0.04 0.00 -0.01 0.00 0.00 64.34 65.41 3h3y n VAL 349 Cb 0.00 -1.60 0.21 0.00 -0.91 0.00 0.00 33.84 31.54 3h3y n VAL 349 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3h3y n SER 350 N -4.32 0.00 -0.11 4.52 2.88 0.21 -2.30 113.62 114.50 3h3y n SER 350 Ca 0.15 0.11 -0.20 0.00 -1.33 0.00 0.00 58.87 57.60 3h3y n SER 350 Cb 0.51 -0.24 -0.08 0.00 -0.75 0.00 0.00 64.21 63.66 3h3y n SER 350 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3h3y n GLU 351 N -1.24 0.55 0.00 -1.46 1.02 2.02 -3.23 120.64 118.30 3h3y n GLU 351 Ca 0.04 0.35 0.09 0.00 -0.02 0.00 0.00 57.16 57.63 3h3y n GLU 351 Cb 0.06 -1.56 0.53 0.00 -0.02 0.00 0.00 31.44 30.45 3h3y n GLU 351 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3h3y n ARG 352 N -4.39 0.51 0.00 3.49 1.74 -1.09 -3.27 116.66 113.65 3h3y n ARG 352 Ca -0.34 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 56.77 3h3y n ARG 352 Cb 0.68 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.62 3h3y n ARG 352 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3h3y n PHE 353 N -1.06 0.00 0.18 -1.55 3.72 -0.97 -4.89 117.46 112.88 3h3y n PHE 353 Ca 0.13 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.60 3h3y n PHE 353 Cb 0.08 0.05 0.39 0.00 -0.94 0.00 0.00 39.48 39.05 3h3y n PHE 353 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3h3y h GLY 354 N 0.00 0.00 2.00 1.37 0.00 -1.53 0.14 103.07 105.05 3h3y h GLY 354 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3h3y h GLY 354 CO 0.00 0.00 -0.06 1.48 0.00 0.00 0.00 176.54 177.96 3h3y h SER 355 N 0.00 0.00 0.00 0.19 4.64 -1.89 -3.41 113.55 113.08 3h3y h SER 355 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h3y h SER 355 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3h3y h SER 355 CO 0.00 0.06 0.00 2.30 -0.87 0.00 0.00 176.83 178.32 3h3y n ILE 356 N -3.12 0.00 -1.68 0.95 -5.35 0.45 -4.87 119.36 105.74 3h3y n ILE 356 Ca 0.03 0.17 -0.45 0.00 -0.27 0.00 0.00 62.75 62.23 3h3y n ILE 356 Cb 0.52 -1.11 -0.04 0.00 -1.74 0.00 0.00 39.64 37.28 3h3y n ILE 356 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 3h3y n ILE 357 N -2.21 0.06 0.64 7.28 -5.35 -0.99 0.21 119.36 118.99 3h3y n ILE 357 Ca 0.00 -0.01 0.07 0.00 -0.27 0.00 0.00 62.75 62.54 3h3y n ILE 357 Cb 0.00 -1.70 -0.04 0.00 -1.74 0.00 0.00 39.64 36.17 3h3y n ILE 357 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3h3y n GLN 358 N 3.89 2.13 -3.66 6.28 10.64 0.15 -4.62 117.38 132.20 3h3y n GLN 358 Ca 0.17 -0.41 -0.05 0.00 -1.83 0.00 0.00 57.00 54.88 3h3y n GLN 358 Cb 0.31 -1.18 -0.07 0.00 -0.86 0.00 0.00 30.24 28.43 3h3y n GLN 358 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3h3y s ALA 359 N -1.98 -1.55 -0.03 2.61 0.00 -1.18 -4.96 121.76 114.66 3h3y s ALA 359 Ca 0.09 1.89 0.00 0.00 0.00 0.00 0.00 51.96 53.94 3h3y s ALA 359 Cb 0.11 -1.51 0.03 0.00 0.00 0.00 0.00 23.12 21.75 3h3y s ALA 359 CO 0.45 -0.80 0.00 0.14 0.00 0.00 0.00 175.76 175.55 3h3y s VAL 360 N 2.66 0.18 -0.07 0.00 -7.23 -1.26 -1.25 120.40 113.43 3h3y s VAL 360 Ca -0.04 0.11 -0.16 0.00 -1.81 0.00 0.00 61.98 60.07 3h3y s VAL 360 Cb -0.12 -0.29 0.03 0.00 0.56 0.00 0.00 36.38 36.57 3h3y s VAL 360 CO -0.16 0.16 0.39 -1.58 -0.31 0.00 0.00 175.10 173.60 3h3y s GLN 361 N 1.18 0.63 0.31 4.82 0.74 -1.04 -4.84 119.66 121.45 3h3y s GLN 361 Ca -0.08 0.17 0.06 0.00 0.05 0.00 0.00 55.36 55.56 3h3y s GLN 361 Cb -0.13 0.29 -0.02 0.00 1.10 0.00 0.00 33.01 34.25 3h3y s GLN 361 CO -0.02 -0.15 0.42 0.99 -0.55 0.00 0.00 175.29 175.98 3h3y s THR 362 N -0.68 4.33 -0.04 -0.34 2.01 -1.26 -1.63 115.64 118.04 3h3y s THR 362 Ca -0.08 -1.04 -0.30 0.00 0.31 0.00 0.00 61.69 60.57 3h3y s THR 362 Cb -0.04 -3.50 0.11 0.00 0.01 0.00 0.00 72.50 69.08 3h3y s THR 362 CO 0.03 -0.21 1.03 0.72 -0.69 0.00 0.00 174.62 175.51 3h3y s PHE 363 N -2.14 -0.22 0.37 4.92 -0.12 -0.87 -4.37 117.98 115.55 3h3y s PHE 363 Ca 0.41 0.10 0.08 0.00 -0.05 0.00 0.00 56.93 57.47 3h3y s PHE 363 Cb -0.09 0.54 -0.03 0.00 -0.63 0.00 0.00 43.02 42.82 3h3y s PHE 363 CO 0.30 -0.45 0.30 0.95 -0.05 0.00 0.00 175.22 176.27 3h3y s THR 364 N -2.86 3.03 -0.24 -4.49 -4.23 -1.26 -2.11 115.64 103.48 3h3y s THR 364 Ca 0.08 -1.42 -0.05 0.00 -1.18 0.00 0.00 61.69 59.12 3h3y s THR 364 Cb -0.01 -3.07 -0.01 0.00 1.34 0.00 0.00 72.50 70.76 3h3y s THR 364 CO -0.06 -0.09 -0.01 -0.62 -0.54 0.00 0.00 174.62 173.30 3h3y s ASP 365 N -4.03 4.53 -0.34 3.99 -1.08 -1.26 -5.01 116.67 113.47 3h3y s ASP 365 Ca 0.43 -0.43 -0.28 0.00 -0.52 0.00 0.00 52.55 51.75 3h3y s ASP 365 Cb -0.04 -1.78 -0.02 0.00 -1.46 0.00 0.00 42.92 39.63 3h3y s ASP 365 CO 0.26 -0.05 1.78 -0.44 0.52 0.00 0.00 175.17 177.24 3h3y s SER 366 N 1.49 5.90 0.00 -0.34 0.01 -1.26 -1.28 113.70 118.23 3h3y s SER 366 Ca 0.05 1.25 0.00 0.00 1.31 0.00 0.00 55.95 58.56 3h3y s SER 366 Cb -0.15 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.55 3h3y s SER 366 CO -0.02 -1.71 0.00 1.07 0.41 0.00 0.00 173.24 172.99 3h3y n THR 367 N 7.39 0.00 -2.21 1.44 5.66 -1.26 -4.94 114.28 120.37 3h3y n THR 367 Ca 0.22 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.81 3h3y n THR 367 Cb 0.47 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.25 3h3y n THR 367 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 3h3y n LYS 368 N 0.00 4.05 -1.77 1.09 5.02 -0.40 -4.95 118.16 121.21 3h3y n LYS 368 Ca 0.00 -3.53 -0.41 0.00 -2.02 0.00 0.00 58.31 52.35 3h3y n LYS 368 Cb 0.00 -2.79 -0.00 0.00 -0.02 0.00 0.00 35.03 32.22 3h3y n LYS 368 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3h3y n PRO 369 N 2.89 2.70 0.00 1.97 -0.04 -1.26 -2.21 135.00 139.05 3h3y n PRO 369 Ca 0.49 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.90 3h3y n PRO 369 Cb 0.31 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 3h3y n PRO 369 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h3y n GLY 370 N 0.97 3.13 3.74 0.55 0.00 -1.26 -5.04 105.19 107.28 3h3y n GLY 370 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3h3y n GLY 370 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3h3y s TYR 371 N -2.93 3.44 -0.15 1.61 1.51 -0.94 -5.06 117.35 114.84 3h3y s TYR 371 Ca 0.00 0.44 0.02 0.00 -1.01 0.00 0.00 57.07 56.51 3h3y s TYR 371 Cb 0.00 -2.21 0.01 0.00 -0.11 0.00 0.00 41.96 39.65 3h3y s TYR 371 CO 0.00 0.30 -0.19 0.00 -1.11 0.00 0.00 175.55 174.55 3h3y s ALA 372 N 0.30 2.34 0.06 3.71 0.00 -1.26 -4.18 121.76 122.73 3h3y s ALA 372 Ca 0.11 -1.08 0.06 0.00 0.00 0.00 0.00 51.96 51.06 3h3y s ALA 372 Cb -0.12 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 3h3y s ALA 372 CO 0.00 -0.03 -0.12 -0.06 0.00 0.00 0.00 175.76 175.55 3h3y s PHE 373 N 0.82 2.72 -0.23 0.00 0.40 -0.90 -1.22 117.98 119.58 3h3y s PHE 373 Ca -0.06 -0.15 0.02 0.00 -0.60 0.00 0.00 56.93 56.13 3h3y s PHE 373 Cb -0.15 -1.49 0.04 0.00 0.51 0.00 0.00 43.02 41.93 3h3y s PHE 373 CO -0.01 0.36 -0.14 0.96 0.70 0.00 0.00 175.22 177.08 3h3y s ILE 374 N -1.06 2.16 0.09 0.64 -0.00 0.85 -2.06 121.20 121.83 3h3y s ILE 374 Ca 0.18 -1.33 -0.30 0.00 -0.00 0.00 0.00 60.65 59.20 3h3y s ILE 374 Cb -0.11 -2.12 -0.05 0.00 -0.00 0.00 0.00 42.46 40.17 3h3y s ILE 374 CO 0.09 0.21 0.98 0.00 -0.00 0.00 0.00 174.94 176.22 3h3y s ALA 375 N 1.19 3.24 -0.02 2.27 0.00 -0.64 -0.73 121.76 127.06 3h3y s ALA 375 Ca -0.03 0.59 0.01 0.00 0.00 0.00 0.00 51.96 52.53 3h3y s ALA 375 Cb -0.17 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.66 3h3y s ALA 375 CO -0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 175.76 175.56 3h3y s ALA 376 N 0.22 0.43 -0.24 0.00 0.00 0.02 -2.51 121.76 119.68 3h3y s ALA 376 Ca 0.48 -0.04 -0.08 0.00 0.00 0.00 0.00 51.96 52.33 3h3y s ALA 376 Cb -0.23 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.60 3h3y s ALA 376 CO 0.30 0.02 0.09 0.21 0.00 0.00 0.00 175.76 176.37 3h3y s LYS 377 N 0.51 3.75 0.26 0.00 2.20 -0.38 -3.94 119.74 122.14 3h3y s LYS 377 Ca -0.06 -0.43 -0.29 0.00 -0.36 0.00 0.00 55.97 54.83 3h3y s LYS 377 Cb -0.09 -3.36 -0.15 0.00 -1.51 0.00 0.00 37.83 32.72 3h3y s LYS 377 CO -0.01 -0.12 0.97 -2.30 -0.36 0.00 0.00 175.35 173.53 3h3y n PRO 378 N 4.75 1.17 0.17 4.03 -0.02 -1.26 0.33 135.00 144.16 3h3y n PRO 378 Ca -0.16 0.41 0.02 0.00 -2.02 0.00 0.00 63.50 61.75 3h3y n PRO 378 Cb 0.52 -1.75 0.33 0.00 -0.02 0.00 0.00 33.50 32.57 3h3y n PRO 378 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3h3y h LYS 379 N 2.05 0.04 -2.89 -0.52 2.10 0.21 -3.30 116.57 114.27 3h3y h LYS 379 Ca -0.39 -0.02 -0.76 0.00 -2.00 0.00 0.00 60.65 57.49 3h3y h LYS 379 Cb 1.35 -0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 32.52 3h3y h LYS 379 CO 0.61 0.42 2.02 -1.13 -2.00 0.00 0.00 179.45 179.37 3h3y n SER 380 N -4.08 6.90 0.00 7.07 3.41 -1.26 -4.91 113.62 120.74 3h3y n SER 380 Ca -0.02 -3.21 0.00 0.00 -0.26 0.00 0.00 58.87 55.38 3h3y n SER 380 Cb 0.42 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 3h3y n SER 380 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h3y n GLY 381 N 1.85 0.75 0.80 5.00 0.00 -1.24 -4.88 105.19 107.47 3h3y n GLY 381 Ca 0.50 -1.65 -0.04 0.00 0.00 0.00 0.00 46.02 44.84 3h3y n GLY 381 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h3y n LEU 382 N 0.00 1.12 -4.14 0.99 4.77 -1.26 -4.34 117.00 114.13 3h3y n LEU 382 Ca 0.00 0.16 -0.33 0.00 -0.03 0.00 0.00 56.01 55.82 3h3y n LEU 382 Cb 0.00 -0.38 -0.16 0.00 -2.33 0.00 0.00 43.42 40.54 3h3y n LEU 382 CO 0.00 -0.44 -0.54 -0.31 -1.33 0.00 0.00 177.39 174.78 3h3y s TYR 383 N -2.21 2.73 0.53 -1.77 2.02 -1.26 -4.36 117.35 113.03 3h3y s TYR 383 Ca -0.08 -1.50 -0.22 0.00 -0.37 0.00 0.00 57.07 54.89 3h3y s TYR 383 Cb 0.02 -1.87 -0.05 0.00 -0.40 0.00 0.00 41.96 39.66 3h3y s TYR 383 CO 0.11 -0.71 1.38 1.28 -1.57 0.00 0.00 175.55 176.04 3h3y n LEU 384 N 4.35 5.50 -4.81 -1.29 4.77 -1.26 -4.92 117.00 119.35 3h3y n LEU 384 Ca -0.21 1.00 -0.36 0.00 -0.03 0.00 0.00 56.01 56.41 3h3y n LEU 384 Cb 0.51 -1.58 -0.06 0.00 -2.33 0.00 0.00 43.42 39.95 3h3y n LEU 384 CO 0.26 -0.50 0.46 0.28 -1.33 0.00 0.00 177.39 176.56 3h3y s THR 385 N -1.27 4.51 0.22 -5.08 -1.32 -1.26 -4.84 115.64 106.60 3h3y s THR 385 Ca 0.70 1.37 0.22 0.00 -1.21 0.00 0.00 61.69 62.77 3h3y s THR 385 Cb -0.42 -3.89 0.22 0.00 -1.51 0.00 0.00 72.50 66.90 3h3y s THR 385 CO 0.50 0.20 1.63 0.00 -2.21 0.00 0.00 174.62 174.74 3h3y h THR 386 N 2.73 0.00 0.03 5.08 1.03 -1.97 1.12 112.91 120.93 3h3y h THR 386 Ca -0.48 0.00 -0.13 0.00 -0.01 0.00 0.00 66.41 65.79 3h3y h THR 386 Cb 1.19 0.49 -0.01 0.00 -1.07 0.00 0.00 68.15 68.75 3h3y h THR 386 CO 0.65 0.00 -0.67 1.62 -0.01 0.00 0.00 175.52 177.11 3h3y h VAL 387 N 0.00 1.39 -0.55 0.00 3.04 -1.99 -2.66 116.25 115.48 3h3y h VAL 387 Ca 0.00 -2.33 0.16 0.00 -1.01 0.00 0.00 66.70 63.52 3h3y h VAL 387 Cb 0.47 2.93 -0.02 0.00 -2.01 0.00 0.00 31.29 32.66 3h3y h VAL 387 CO 0.00 0.55 0.48 1.56 -1.01 0.00 0.00 177.57 179.15 3h3y h GLN 388 N -0.83 0.00 0.06 4.17 4.20 0.64 -1.78 115.11 121.58 3h3y h GLN 388 Ca -0.16 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.26 3h3y h GLN 388 Cb 1.27 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 3h3y h GLN 388 CO -0.04 0.00 -1.48 0.00 -0.67 0.00 0.00 178.83 176.64 3h3y h ARG 389 N 0.00 0.13 0.00 1.46 3.08 -0.22 -3.01 114.38 115.82 3h3y h ARG 389 Ca 0.26 -0.22 -0.19 0.00 0.07 0.00 0.00 59.98 59.90 3h3y h ARG 389 Cb 1.23 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.34 3h3y h ARG 389 CO -0.00 0.93 -0.87 0.93 -1.07 0.00 0.00 179.97 179.89 3h3y h GLU 390 N 0.04 0.05 0.21 0.04 5.08 -1.01 -1.85 114.58 117.14 3h3y h GLU 390 Ca -0.21 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 3h3y h GLU 390 Cb 1.96 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.23 3h3y h GLU 390 CO 0.13 0.88 -0.10 -0.44 -1.00 0.00 0.00 179.01 178.48 3h3y h ASP 391 N 0.03 -0.24 -0.59 1.42 3.32 -1.46 -2.01 116.42 116.89 3h3y h ASP 391 Ca -0.02 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 3h3y h ASP 391 Cb 1.52 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 41.10 3h3y h ASP 391 CO 0.12 0.02 0.29 -0.29 -1.72 0.00 0.00 179.24 177.66 3h3y h ILE 392 N -0.51 1.20 -0.24 0.35 6.09 -1.54 -0.87 117.51 122.00 3h3y h ILE 392 Ca -0.03 -0.58 -0.07 0.00 -1.37 0.00 0.00 64.86 62.80 3h3y h ILE 392 Cb 0.38 0.42 -0.01 0.00 0.47 0.00 0.00 36.82 38.08 3h3y h ILE 392 CO 0.05 0.24 -0.17 0.50 -3.07 0.00 0.00 178.15 175.70 3h3y h LYS 393 N 0.87 0.41 -0.96 2.19 3.64 -1.32 -2.89 116.57 118.51 3h3y h LYS 393 Ca 0.21 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3h3y h LYS 393 Cb 0.10 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 3h3y h LYS 393 CO -0.03 0.57 0.06 0.09 -2.27 0.00 0.00 179.45 177.87 3h3y n ASN 394 N -4.19 2.50 -0.32 4.20 5.03 -0.34 -0.97 115.26 121.17 3h3y n ASN 394 Ca -0.00 -2.23 0.07 0.00 0.87 0.00 0.00 54.58 53.30 3h3y n ASN 394 Cb 0.33 -0.55 -0.01 0.00 -1.02 0.00 0.00 39.78 38.54 3h3y n ASN 394 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 3h3y n TYR 395 N 0.16 0.00 0.01 3.10 4.01 -1.09 -4.40 117.16 118.95 3h3y n TYR 395 Ca 0.08 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.79 3h3y n TYR 395 Cb 0.57 0.00 0.22 0.00 -0.31 0.00 0.00 39.34 39.82 3h3y n TYR 395 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3h3y h LEU 396 N 1.55 0.48 -0.42 7.72 3.38 -1.22 -1.50 115.31 125.30 3h3y h LEU 396 Ca 0.00 -0.15 -0.17 0.00 0.09 0.00 0.00 57.88 57.65 3h3y h LEU 396 Cb 0.51 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3h3y h LEU 396 CO 0.00 0.70 -0.48 0.11 0.09 0.00 0.00 178.44 178.86 3h3y h LYS 397 N 0.44 0.79 0.02 1.13 1.57 -1.78 -3.29 116.57 115.44 3h3y h LYS 397 Ca 0.07 -0.46 0.01 0.00 -1.87 0.00 0.00 60.65 58.40 3h3y h LYS 397 Cb 0.61 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.92 3h3y h LYS 397 CO 0.04 1.09 -0.39 0.22 -0.57 0.00 0.00 179.45 179.84 3h3y h ASP 398 N 0.62 -1.21 -2.90 0.86 -0.00 -1.51 -2.92 116.42 109.37 3h3y h ASP 398 Ca 0.03 0.13 -0.55 0.00 -0.00 0.00 0.00 57.03 56.65 3h3y h ASP 398 Cb 1.06 0.45 -0.07 0.00 -0.00 0.00 0.00 39.33 40.78 3h3y h ASP 398 CO 0.11 -0.39 1.06 -0.47 -0.00 0.00 0.00 179.24 179.55 3h3y s TYR 399 N -5.00 2.38 -0.17 0.28 5.04 -0.75 -4.96 117.35 114.17 3h3y s TYR 399 Ca -0.12 0.42 -0.32 0.00 -2.44 0.00 0.00 57.07 54.61 3h3y s TYR 399 Cb 0.05 -4.45 -0.09 0.00 0.35 0.00 0.00 41.96 37.82 3h3y s TYR 399 CO 0.44 -1.87 2.06 0.27 -1.34 0.00 0.00 175.55 175.11 3h3y n ASN 400 N 9.23 3.21 -3.73 4.32 0.23 -1.10 -4.70 115.26 122.72 3h3y n ASN 400 Ca 0.11 0.62 -0.12 0.00 -0.53 0.00 0.00 54.58 54.66 3h3y n ASN 400 Cb 0.49 -1.42 -0.12 0.00 -2.08 0.00 0.00 39.78 36.65 3h3y n ASN 400 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 3h3y s LEU 401 N 6.04 0.40 -0.18 -4.53 2.96 -1.24 -5.05 118.68 117.08 3h3y s LEU 401 Ca 0.98 0.63 -0.05 0.00 -0.22 0.00 0.00 54.13 55.47 3h3y s LEU 401 Cb -0.59 0.94 -0.22 0.00 0.50 0.00 0.00 46.19 46.82 3h3y s LEU 401 CO 0.45 -0.16 0.12 0.00 -1.32 0.00 0.00 176.35 175.44 3h3y n ALA 402 N 3.94 1.08 -1.50 5.97 0.00 -1.26 -4.78 120.51 123.96 3h3y n ALA 402 Ca -0.22 -0.78 -0.39 0.00 0.00 0.00 0.00 53.44 52.05 3h3y n ALA 402 Cb 0.55 -0.44 0.03 0.00 0.00 0.00 0.00 19.45 19.59 3h3y n ALA 402 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3h3y n PRO 403 N -3.52 0.65 -1.60 0.00 -0.02 -1.26 -4.73 135.00 124.52 3h3y n PRO 403 Ca -0.38 0.25 -0.55 0.00 -2.02 0.00 0.00 63.50 60.80 3h3y n PRO 403 Cb 0.99 -1.79 -0.07 0.00 -0.02 0.00 0.00 33.50 32.62 3h3y n PRO 403 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3h3y n ILE 404 N -1.52 0.06 -4.06 4.25 -0.00 -1.26 -4.89 119.36 111.93 3h3y n ILE 404 Ca 0.12 -0.01 -0.24 0.00 -0.00 0.00 0.00 62.75 62.61 3h3y n ILE 404 Cb 0.46 -0.73 -0.17 0.00 -0.00 0.00 0.00 39.64 39.20 3h3y n ILE 404 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 3h3y s THR 405 N 1.07 0.83 0.00 7.28 -4.23 -1.26 -5.02 115.64 114.31 3h3y s THR 405 Ca 0.89 -0.21 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 3h3y s THR 405 Cb -1.06 -0.85 0.00 0.00 1.34 0.00 0.00 72.50 71.93 3h3y s THR 405 CO 0.54 0.32 0.00 -0.81 -0.54 0.00 0.00 174.62 174.12 3h3y n PRO 406 N 4.60 0.00 -3.74 3.99 -0.04 -1.26 -4.89 135.00 133.66 3h3y n PRO 406 Ca -0.16 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 62.95 3h3y n PRO 406 Cb 0.50 -0.01 -0.08 0.00 -0.04 0.00 0.00 33.50 33.87 3h3y n PRO 406 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3h3y s SER 407 N -0.04 6.15 0.36 3.54 0.01 -0.36 -4.95 113.70 118.41 3h3y s SER 407 Ca 0.00 0.20 -0.15 0.00 1.31 0.00 0.00 55.95 57.31 3h3y s SER 407 Cb 0.00 -2.08 -0.09 0.00 0.21 0.00 0.00 66.02 64.06 3h3y s SER 407 CO 0.00 0.16 0.77 0.27 0.41 0.00 0.00 173.24 174.86 3h3y s ILE 408 N 0.46 4.66 0.08 1.44 -5.25 -1.26 -0.10 121.20 121.23 3h3y s ILE 408 Ca 0.08 0.96 -0.27 0.00 -0.99 0.00 0.00 60.65 60.43 3h3y s ILE 408 Cb -0.11 -3.63 0.08 0.00 2.95 0.00 0.00 42.46 41.74 3h3y s ILE 408 CO -0.01 -0.28 0.90 0.27 -1.79 0.00 0.00 174.94 174.04 3h3y s ILE 409 N -2.10 0.00 0.29 8.37 -5.25 0.10 -4.82 121.20 117.79 3h3y s ILE 409 Ca 0.55 -0.32 -0.23 0.00 -0.99 0.00 0.00 60.65 59.65 3h3y s ILE 409 Cb -0.10 -1.47 -0.09 0.00 2.95 0.00 0.00 42.46 43.75 3h3y s ILE 409 CO 0.20 0.00 0.86 -0.44 -1.79 0.00 0.00 174.94 173.77 3h3y s SER 410 N -2.71 7.22 0.59 4.36 0.01 -1.26 -0.80 113.70 121.11 3h3y s SER 410 Ca 0.08 1.68 -0.20 0.00 1.31 0.00 0.00 55.95 58.82 3h3y s SER 410 Cb -0.01 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 3h3y s SER 410 CO -0.04 -0.04 1.25 -2.65 0.41 0.00 0.00 173.24 172.17 3h3y n PRO 411 N 0.56 1.31 -2.60 12.44 -0.02 -1.25 -4.78 135.00 140.66 3h3y n PRO 411 Ca 0.01 0.49 -0.41 0.00 -2.02 0.00 0.00 63.50 61.57 3h3y n PRO 411 Cb 0.51 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 3h3y n PRO 411 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3h3y s ASN 412 N -1.15 6.29 0.19 2.55 2.47 -0.02 -4.89 114.94 120.38 3h3y s ASN 412 Ca 0.77 -0.90 -0.30 0.00 0.42 0.00 0.00 52.86 52.85 3h3y s ASN 412 Cb -0.41 -2.54 -0.08 0.00 -1.45 0.00 0.00 41.25 36.77 3h3y s ASN 412 CO 0.45 -1.66 1.08 -0.31 -3.72 0.00 0.00 177.10 172.94 3h3y s TYR 413 N 5.21 3.63 -0.15 0.43 1.51 -1.26 -1.67 117.35 125.05 3h3y s TYR 413 Ca 0.37 1.64 -0.02 0.00 -1.01 0.00 0.00 57.07 58.06 3h3y s TYR 413 Cb -0.06 -3.24 -0.02 0.00 -0.11 0.00 0.00 41.96 38.53 3h3y s TYR 413 CO 0.05 -0.49 -0.09 -1.17 -1.11 0.00 0.00 175.55 172.74 3h3y s LEU 414 N -0.51 2.89 0.11 -1.29 0.20 -0.03 -4.34 118.68 115.71 3h3y s LEU 414 Ca 0.48 -0.27 0.08 0.00 0.69 0.00 0.00 54.13 55.10 3h3y s LEU 414 Cb -0.29 -1.67 -0.04 0.00 -0.43 0.00 0.00 46.19 43.76 3h3y s LEU 414 CO 0.35 0.15 -0.12 -0.36 -0.29 0.00 0.00 176.35 176.08 3h3y s PHE 415 N 0.45 2.68 -0.28 5.38 0.08 -0.04 -3.08 117.98 123.17 3h3y s PHE 415 Ca -0.07 -0.19 -0.05 0.00 0.12 0.00 0.00 56.93 56.74 3h3y s PHE 415 Cb -0.15 -1.41 0.01 0.00 -0.57 0.00 0.00 43.02 40.90 3h3y s PHE 415 CO 0.04 0.41 0.03 0.42 -0.10 0.00 0.00 175.22 176.03 3h3y s ILE 416 N -1.19 3.62 -0.49 0.64 -1.09 -1.26 0.39 121.20 121.82 3h3y s ILE 416 Ca 0.20 -0.78 -0.25 0.00 -2.23 0.00 0.00 60.65 57.60 3h3y s ILE 416 Cb -0.11 -2.85 0.03 0.00 -1.58 0.00 0.00 42.46 37.95 3h3y s ILE 416 CO 0.13 0.13 0.93 -0.75 -1.23 0.00 0.00 174.94 174.15 3h3y s LYS 417 N 1.45 3.47 -0.13 2.79 2.36 0.02 -4.77 119.74 124.93 3h3y s LYS 417 Ca 0.02 0.03 -0.08 0.00 -2.55 0.00 0.00 55.97 53.39 3h3y s LYS 417 Cb -0.17 -3.97 -0.04 0.00 -1.05 0.00 0.00 37.83 32.60 3h3y s LYS 417 CO 0.00 -1.31 0.15 0.99 1.55 0.00 0.00 175.35 176.73 3h3y s THR 418 N 3.83 5.47 -0.47 3.43 2.01 0.16 -1.47 115.64 128.61 3h3y s THR 418 Ca 0.35 0.23 0.04 0.00 0.31 0.00 0.00 61.69 62.61 3h3y s THR 418 Cb -0.11 -3.43 0.12 0.00 0.01 0.00 0.00 72.50 69.10 3h3y s THR 418 CO 0.24 0.58 0.21 0.20 -0.69 0.00 0.00 174.62 175.16 3h3y s ASN 419 N -0.71 4.31 0.19 3.53 -0.87 -0.19 -2.00 114.94 119.20 3h3y s ASN 419 Ca 0.14 -2.74 -0.06 0.00 -1.57 0.00 0.00 52.86 48.62 3h3y s ASN 419 Cb -0.12 -1.53 -0.06 0.00 -0.02 0.00 0.00 41.25 39.52 3h3y s ASN 419 CO 0.03 -0.27 0.46 -0.22 -2.57 0.00 0.00 177.10 174.52 3h3y s LEU 420 N 0.10 4.21 -0.08 0.60 2.96 0.15 -1.53 118.68 125.08 3h3y s LEU 420 Ca 0.16 0.71 -0.03 0.00 -0.22 0.00 0.00 54.13 54.75 3h3y s LEU 420 Cb -0.24 -3.46 0.04 0.00 0.50 0.00 0.00 46.19 43.03 3h3y s LEU 420 CO -0.02 -0.02 0.10 -0.54 -1.32 0.00 0.00 176.35 174.55 3h3y s LYS 421 N -2.82 -0.01 -0.13 1.98 1.02 -0.91 -1.61 119.74 117.26 3h3y s LYS 421 Ca 0.44 0.35 0.03 0.00 0.02 0.00 0.00 55.97 56.80 3h3y s LYS 421 Cb -0.12 -0.68 0.01 0.00 -0.52 0.00 0.00 37.83 36.52 3h3y s LYS 421 CO 0.24 -0.39 -0.22 0.08 -0.92 0.00 0.00 175.35 174.14 3h3y s VAL 422 N 2.21 2.02 -0.17 3.17 1.01 0.09 -0.86 120.40 127.86 3h3y s VAL 422 Ca 0.04 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 3h3y s VAL 422 Cb -0.13 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 3h3y s VAL 422 CO -0.05 0.54 0.05 0.42 0.00 0.00 0.00 175.10 176.06 3h3y s THR 423 N 0.76 4.68 0.20 3.92 -4.23 -0.68 -1.52 115.64 118.77 3h3y s THR 423 Ca -0.09 -0.08 0.04 0.00 -1.18 0.00 0.00 61.69 60.39 3h3y s THR 423 Cb -0.16 -3.09 -0.05 0.00 1.34 0.00 0.00 72.50 70.54 3h3y s THR 423 CO -0.00 0.48 -0.04 -0.72 -0.54 0.00 0.00 174.62 173.79 3h3y s TYR 424 N 0.27 1.45 -0.22 3.99 1.13 0.40 -2.61 117.35 121.74 3h3y s TYR 424 Ca 0.03 -0.86 -0.21 0.00 -1.41 0.00 0.00 57.07 54.62 3h3y s TYR 424 Cb -0.12 -0.80 -0.02 0.00 -1.10 0.00 0.00 41.96 39.91 3h3y s TYR 424 CO 0.01 0.00 0.65 0.00 -2.51 0.00 0.00 175.55 173.70 3h3y s ALA 425 N -3.39 3.58 0.13 9.51 0.00 -0.94 -0.15 121.76 130.49 3h3y s ALA 425 Ca 0.24 -0.33 -0.29 0.00 0.00 0.00 0.00 51.96 51.58 3h3y s ALA 425 Cb 0.04 -3.02 -0.06 0.00 0.00 0.00 0.00 23.12 20.08 3h3y s ALA 425 CO 0.06 -0.69 1.59 -0.07 0.00 0.00 0.00 175.76 176.64 3h3y h LEU 426 N 8.59 -1.21 -0.78 0.00 3.38 -0.45 -2.43 115.31 122.41 3h3y h LEU 426 Ca -0.29 0.16 0.18 0.00 0.09 0.00 0.00 57.88 58.02 3h3y h LEU 426 Cb 1.13 0.49 -0.12 0.00 0.09 0.00 0.00 40.66 42.24 3h3y h LEU 426 CO 0.78 -0.43 0.15 0.78 0.09 0.00 0.00 178.44 179.82 3h3y h ASN 427 N -0.51 -0.08 -0.24 -0.43 -0.26 -1.94 -2.19 115.58 109.93 3h3y h ASN 427 Ca 0.07 0.17 0.00 0.00 -0.56 0.00 0.00 56.30 55.98 3h3y h ASN 427 Cb 0.62 0.25 0.00 0.00 -1.06 0.00 0.00 38.32 38.13 3h3y h ASN 427 CO -0.34 -0.10 0.00 0.29 -1.06 0.00 0.00 177.43 176.21 3h3y n LYS 428 N -5.22 1.73 -3.78 0.81 4.76 -0.93 -4.74 118.16 110.79 3h3y n LYS 428 Ca 0.16 -1.12 -0.37 0.00 -2.87 0.00 0.00 58.31 54.11 3h3y n LYS 428 Cb 0.52 -1.34 -0.12 0.00 -1.84 0.00 0.00 35.03 32.26 3h3y n LYS 428 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3h3y s LEU 429 N -1.32 4.42 -0.11 -0.35 1.98 -0.83 -4.67 118.68 117.80 3h3y s LEU 429 Ca 0.28 -1.34 -0.19 0.00 -2.89 0.00 0.00 54.13 49.99 3h3y s LEU 429 Cb 0.15 -1.83 -0.16 0.00 0.66 0.00 0.00 46.19 45.01 3h3y s LEU 429 CO 0.21 -0.36 0.56 1.56 -1.89 0.00 0.00 176.35 176.43 3h3y h GLN 430 N 8.15 -0.04 0.00 1.98 1.08 -1.86 -3.48 115.11 120.95 3h3y h GLN 430 Ca -0.21 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 56.99 3h3y h GLN 430 Cb 1.07 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 3h3y h GLN 430 CO 0.61 0.54 0.00 0.39 -0.95 0.00 0.00 178.83 179.43 3h3y n GLU 431 N -4.72 0.18 -1.35 1.46 4.71 -1.26 -5.05 120.64 114.60 3h3y n GLU 431 Ca -0.06 -0.02 -0.31 0.00 -0.01 0.00 0.00 57.16 56.75 3h3y n GLU 431 Cb 0.29 -0.01 0.08 0.00 -1.01 0.00 0.00 31.44 30.79 3h3y n GLU 431 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3h3y s SER 432 N -1.04 4.68 0.22 1.62 0.15 -1.26 -4.87 113.70 113.19 3h3y s SER 432 Ca 0.01 1.82 -0.09 0.00 0.70 0.00 0.00 55.95 58.39 3h3y s SER 432 Cb -0.00 -2.52 0.21 0.00 -1.71 0.00 0.00 66.02 62.00 3h3y s SER 432 CO 0.00 -1.92 1.86 -0.33 1.20 0.00 0.00 173.24 174.06 3h3y h GLU 433 N -0.94 0.94 -0.71 5.44 5.08 -1.98 -1.42 114.58 120.98 3h3y h GLU 433 Ca -0.44 -0.06 0.12 0.00 -1.00 0.00 0.00 59.36 57.99 3h3y h GLU 433 Cb 1.23 -0.21 -0.05 0.00 0.50 0.00 0.00 28.75 30.22 3h3y h GLU 433 CO 0.52 0.62 0.47 0.37 -1.00 0.00 0.00 179.01 180.00 3h3y h GLN 434 N 0.96 0.45 0.31 2.33 5.75 -2.00 -1.31 115.11 121.60 3h3y h GLN 434 Ca 0.30 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.76 3h3y h GLN 434 Cb -0.00 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.45 3h3y h GLN 434 CO -0.11 0.30 -0.15 2.35 -2.65 0.00 0.00 178.83 178.57 3h3y h TRP 435 N 0.47 -0.39 -0.63 3.99 7.01 -1.70 -3.08 115.95 121.62 3h3y h TRP 435 Ca 0.34 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.43 3h3y h TRP 435 Cb 0.68 0.13 -0.11 0.00 -2.10 0.00 0.00 29.16 27.76 3h3y h TRP 435 CO -0.00 -0.04 -0.41 1.25 -2.79 0.00 0.00 178.44 176.44 3h3y h LEU 436 N -0.91 -1.44 -0.53 0.65 7.12 -0.71 0.54 115.31 120.03 3h3y h LEU 436 Ca -0.04 0.25 0.05 0.00 0.13 0.00 0.00 57.88 58.27 3h3y h LEU 436 Cb 0.52 0.67 -0.08 0.00 -0.53 0.00 0.00 40.66 41.25 3h3y h LEU 436 CO 0.07 -0.32 -0.43 -0.33 -0.13 0.00 0.00 178.44 177.30 3h3y h GLU 437 N -0.19 -0.14 -0.90 1.25 5.08 -1.35 0.32 114.58 118.65 3h3y h GLU 437 Ca 0.20 0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.79 3h3y h GLU 437 Cb 0.56 0.03 -0.16 0.00 0.50 0.00 0.00 28.75 29.68 3h3y h GLU 437 CO -0.72 -0.09 -0.03 0.78 -1.00 0.00 0.00 179.01 177.95 3h3y h GLY 438 N -0.15 0.99 1.52 -3.84 0.00 -0.99 0.40 103.07 101.01 3h3y h GLY 438 Ca 0.09 0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 3h3y h GLY 438 CO -0.58 -0.40 0.29 -1.61 0.00 0.00 0.00 176.54 174.25 3h3y h GLN 439 N 0.04 0.63 0.09 4.80 5.75 0.17 -1.81 115.11 124.79 3h3y h GLN 439 Ca 0.50 -0.05 -0.31 0.00 -0.15 0.00 0.00 58.65 58.65 3h3y h GLN 439 Cb 0.94 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.34 3h3y h GLN 439 CO -0.84 0.44 -1.66 -0.84 -2.65 0.00 0.00 178.83 173.28 3h3y h ILE 440 N 0.65 0.81 0.00 2.39 3.07 0.90 -3.23 117.51 122.10 3h3y h ILE 440 Ca 0.17 -2.32 0.00 0.00 1.55 0.00 0.00 64.86 64.26 3h3y h ILE 440 Cb -0.04 2.49 0.00 0.00 -0.27 0.00 0.00 36.82 39.00 3h3y h ILE 440 CO -0.03 0.70 0.19 -0.29 -1.05 0.00 0.00 178.15 177.66 3h3y h ILE 441 N -0.29 0.00 0.06 0.16 2.10 -0.28 0.82 117.51 120.07 3h3y h ILE 441 Ca -0.37 0.00 -0.10 0.00 1.08 0.00 0.00 64.86 65.47 3h3y h ILE 441 Cb 1.78 0.41 0.01 0.00 -1.09 0.00 0.00 36.82 37.94 3h3y h ILE 441 CO 0.01 0.00 -0.42 0.44 -1.08 0.00 0.00 178.15 177.09 3h3y h ASP 442 N 0.00 0.27 -0.77 2.19 3.32 -1.41 -3.28 116.42 116.74 3h3y h ASP 442 Ca 0.00 -0.92 0.07 0.00 0.02 0.00 0.00 57.03 56.20 3h3y h ASP 442 Cb 0.38 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.78 3h3y h ASP 442 CO 0.00 1.17 0.45 0.11 -1.72 0.00 0.00 179.24 179.25 3h3y h LYS 443 N -0.59 0.78 -0.47 3.56 1.79 0.54 0.39 116.57 122.58 3h3y h LYS 443 Ca -0.07 -0.05 0.06 0.00 -2.18 0.00 0.00 60.65 58.42 3h3y h LYS 443 Cb 1.29 -0.18 -0.06 0.00 -1.58 0.00 0.00 32.23 31.71 3h3y h LYS 443 CO 0.08 0.52 0.15 0.82 -1.08 0.00 0.00 179.45 179.94 3h3y h ILE 444 N 0.81 0.83 -0.59 1.86 2.04 -1.13 -1.37 117.51 119.95 3h3y h ILE 444 Ca 0.35 -0.11 -0.10 0.00 1.00 0.00 0.00 64.86 66.00 3h3y h ILE 444 Cb 0.23 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3h3y h ILE 444 CO -0.20 0.06 -0.03 -0.78 0.00 0.00 0.00 178.15 177.20 3h3y h ASP 445 N 0.31 1.06 0.19 1.72 1.82 -1.19 -1.53 116.42 118.81 3h3y h ASP 445 Ca 0.22 -0.32 -0.03 0.00 -0.39 0.00 0.00 57.03 56.51 3h3y h ASP 445 Cb 0.24 -0.29 -0.00 0.00 0.68 0.00 0.00 39.33 39.96 3h3y h ASP 445 CO -0.24 1.12 -0.14 -0.09 -1.61 0.00 0.00 179.24 178.28 3h3y h ARG 446 N 0.97 0.00 0.01 0.28 1.12 -0.43 0.23 114.38 116.56 3h3y h ARG 446 Ca 0.16 0.00 -0.22 0.00 -1.11 0.00 0.00 59.98 58.82 3h3y h ARG 446 Cb 0.60 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 30.58 3h3y h ARG 446 CO 0.04 0.14 -0.86 -0.92 -3.11 0.00 0.00 179.97 175.25 3h3y h TYR 447 N 0.00 0.86 -0.05 2.20 3.20 -0.73 -2.83 116.97 119.62 3h3y h TYR 447 Ca -0.00 -0.47 -0.00 0.00 3.14 0.00 0.00 58.73 61.39 3h3y h TYR 447 Cb 0.27 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 3h3y h TYR 447 CO 0.00 1.30 0.02 1.88 -1.64 0.00 0.00 178.16 179.72 3h3y h TYR 448 N 0.17 0.08 -0.16 -3.82 0.05 -0.38 0.15 116.97 113.05 3h3y h TYR 448 Ca -0.11 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.68 3h3y h TYR 448 Cb 1.54 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 39.24 3h3y h TYR 448 CO 0.12 0.25 0.06 1.79 -1.05 0.00 0.00 178.16 179.33 3h3y h THR 449 N -0.11 0.97 0.04 -2.88 1.35 -0.70 1.32 112.91 112.90 3h3y h THR 449 Ca 0.02 -0.05 -0.00 0.00 -0.55 0.00 0.00 66.41 65.83 3h3y h THR 449 Cb 0.21 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 3h3y h THR 449 CO -0.00 0.03 -0.02 -0.33 -0.25 0.00 0.00 175.52 174.95 3h3y h GLU 450 N 0.14 -0.05 0.00 4.72 5.08 -1.42 -3.38 114.58 119.67 3h3y h GLU 450 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3h3y h GLU 450 Cb 0.03 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3h3y h GLU 450 CO -0.06 0.49 -0.77 -0.25 -1.00 0.00 0.00 179.01 177.42 3h3y n ASP 451 N -4.84 0.88 -0.01 1.42 9.92 0.51 -4.83 116.55 119.60 3h3y n ASP 451 Ca -0.09 -0.64 -0.01 0.00 -0.53 0.00 0.00 54.79 53.52 3h3y n ASP 451 Cb 0.28 1.11 -0.01 0.00 -0.64 0.00 0.00 41.12 41.87 3h3y n ASP 451 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 3h3y n VAL 452 N -1.41 0.08 -2.33 2.53 0.31 -0.61 -4.33 118.33 112.56 3h3y n VAL 452 Ca 0.01 -0.02 -0.35 0.00 -0.01 0.00 0.00 64.34 63.97 3h3y n VAL 452 Cb 0.22 -1.37 -0.03 0.00 -0.91 0.00 0.00 33.84 31.75 3h3y n VAL 452 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3h3y s GLU 453 N -2.03 3.23 -0.18 5.55 2.02 0.44 -4.54 118.70 123.19 3h3y s GLU 453 Ca -0.02 -1.41 -0.30 0.00 0.02 0.00 0.00 54.97 53.26 3h3y s GLU 453 Cb 0.01 -5.36 0.14 0.00 0.10 0.00 0.00 34.13 29.02 3h3y s GLU 453 CO 0.03 -3.03 1.07 0.42 0.02 0.00 0.00 175.26 173.77 3h3y s ILE 454 N 7.50 0.00 0.02 -1.63 1.01 -1.26 -4.90 121.20 121.94 3h3y s ILE 454 Ca 0.60 0.00 -0.30 0.00 0.00 0.00 0.00 60.65 60.95 3h3y s ILE 454 Cb 0.01 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 3h3y s ILE 454 CO 0.07 0.00 1.11 -0.36 0.00 0.00 0.00 174.94 175.76 3h3y s PHE 455 N -1.14 3.50 0.00 3.97 0.08 -1.26 -3.19 117.98 119.94 3h3y s PHE 455 Ca 0.01 1.46 0.00 0.00 0.12 0.00 0.00 56.93 58.51 3h3y s PHE 455 Cb -0.01 -3.30 0.00 0.00 -0.57 0.00 0.00 43.02 39.15 3h3y s PHE 455 CO -0.01 -0.76 0.00 0.09 -0.10 0.00 0.00 175.22 174.45 3h3y n ASN 456 N 4.07 0.00 -4.78 1.36 3.02 -1.26 -4.99 115.26 112.67 3h3y n ASN 456 Ca 0.08 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.33 3h3y n ASN 456 Cb 0.48 -1.22 0.10 0.00 -0.61 0.00 0.00 39.78 38.53 3h3y n ASN 456 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3h3y s SER 457 N -2.57 4.21 0.14 6.41 0.15 -1.19 -4.69 113.70 116.15 3h3y s SER 457 Ca 0.00 1.34 0.02 0.00 0.70 0.00 0.00 55.95 58.01 3h3y s SER 457 Cb 0.00 -2.05 -0.04 0.00 -1.71 0.00 0.00 66.02 62.22 3h3y s SER 457 CO 0.00 -2.16 -0.03 -0.94 1.20 0.00 0.00 173.24 171.31 3h3y s SER 458 N -3.79 1.20 -0.20 5.45 1.04 -1.26 -4.16 113.70 111.98 3h3y s SER 458 Ca 0.62 -1.09 -0.16 0.00 0.48 0.00 0.00 55.95 55.79 3h3y s SER 458 Cb -0.15 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 3h3y s SER 458 CO 0.55 -0.51 0.42 0.12 0.98 0.00 0.00 173.24 174.80 3h3y s PHE 459 N -3.63 3.38 -0.29 5.02 5.36 -0.85 -4.60 117.98 122.39 3h3y s PHE 459 Ca 0.18 0.65 0.03 0.00 -0.96 0.00 0.00 56.93 56.83 3h3y s PHE 459 Cb 0.05 -2.55 0.07 0.00 -0.34 0.00 0.00 43.02 40.26 3h3y s PHE 459 CO -0.00 -0.01 -0.05 0.00 -1.46 0.00 0.00 175.22 173.70 3h3y s ALA 460 N 1.32 2.65 0.44 11.12 0.00 -1.26 -0.73 121.76 135.30 3h3y s ALA 460 Ca 0.20 -2.02 0.22 0.00 0.00 0.00 0.00 51.96 50.36 3h3y s ALA 460 Cb -0.15 -1.72 1.21 0.00 0.00 0.00 0.00 23.12 22.46 3h3y s ALA 460 CO 0.08 -1.37 1.82 -0.22 0.00 0.00 0.00 175.76 176.07 3h3y h LYS 461 N 7.72 0.28 0.00 0.00 3.64 -1.76 0.31 116.57 126.76 3h3y h LYS 461 Ca -0.14 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.17 3h3y h LYS 461 Cb 1.03 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 3h3y h LYS 461 CO 0.48 0.19 -0.25 0.66 -2.27 0.00 0.00 179.45 178.26 3h3y h SER 462 N 0.29 0.00 0.02 4.20 4.64 -1.95 -2.53 113.55 118.22 3h3y h SER 462 Ca 0.52 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.84 3h3y h SER 462 Cb 1.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 3h3y h SER 462 CO -0.18 0.25 -0.01 0.50 -0.87 0.00 0.00 176.83 176.52 3h3y h LYS 463 N 0.00 -0.03 -0.03 4.77 3.64 -0.77 -3.14 116.57 121.02 3h3y h LYS 463 Ca -0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3h3y h LYS 463 Cb 0.48 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3h3y h LYS 463 CO 0.03 0.69 -0.17 0.00 -2.27 0.00 0.00 179.45 177.72 3h3y h MET 464 N -0.93 0.04 -0.65 1.90 -0.00 -1.52 0.34 114.93 114.11 3h3y h MET 464 Ca -0.00 -0.01 -0.05 0.00 -0.00 0.00 0.00 59.70 59.63 3h3y h MET 464 Cb 0.73 -0.01 -0.03 0.00 -0.00 0.00 0.00 31.60 32.29 3h3y h MET 464 CO 0.01 0.22 0.19 -0.07 -0.00 0.00 0.00 176.91 177.25 3h3y h LEU 465 N 0.04 0.93 -1.28 -0.10 3.38 -1.56 0.16 115.31 116.88 3h3y h LEU 465 Ca 0.01 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 3h3y h LEU 465 Cb 0.33 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3h3y h LEU 465 CO 0.02 0.88 -0.29 0.71 0.09 0.00 0.00 178.44 179.85 3h3y h THR 466 N 0.96 0.85 0.00 0.22 1.35 -0.92 0.91 112.91 116.27 3h3y h THR 466 Ca 0.21 -1.17 -0.00 0.00 -0.55 0.00 0.00 66.41 64.90 3h3y h THR 466 Cb 0.29 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 3h3y h THR 466 CO -0.01 0.29 -0.00 1.88 -0.25 0.00 0.00 175.52 177.43 3h3y h TYR 467 N 0.00 -0.00 -0.18 4.73 0.05 -0.48 -2.59 116.97 118.50 3h3y h TYR 467 Ca -0.00 -0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.83 3h3y h TYR 467 Cb 0.68 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.36 3h3y h TYR 467 CO 0.00 0.35 -0.28 0.28 -1.05 0.00 0.00 178.16 177.45 3h3y h VAL 468 N -0.35 0.33 -1.21 -2.88 2.07 -0.29 0.95 116.25 114.88 3h3y h VAL 468 Ca -0.00 0.00 0.35 0.00 0.82 0.00 0.00 66.70 67.87 3h3y h VAL 468 Cb 0.35 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 30.39 3h3y h VAL 468 CO 0.00 0.00 0.84 0.44 0.02 0.00 0.00 177.57 178.87 3h3y h ASP 469 N -0.33 0.14 0.59 0.57 5.19 -0.87 -1.41 116.42 120.30 3h3y h ASP 469 Ca 0.11 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 3h3y h ASP 469 Cb 0.51 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.03 3h3y h ASP 469 CO -0.37 0.01 -0.18 -0.67 -3.12 0.00 0.00 179.24 174.91 3h3y n ASP 470 N -4.32 0.34 0.18 6.45 4.64 0.31 -4.18 116.55 119.96 3h3y n ASP 470 Ca 0.28 -0.17 0.14 0.00 -1.38 0.00 0.00 54.79 53.65 3h3y n ASP 470 Cb 1.21 -0.11 0.48 0.00 -1.04 0.00 0.00 41.12 41.67 3h3y n ASP 470 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3h3y h ALA 471 N 3.26 1.00 -2.90 -1.67 0.00 -0.98 -3.45 119.26 114.53 3h3y h ALA 471 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3h3y h ALA 471 Cb 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.13 3h3y h ALA 471 CO 0.00 0.00 0.07 0.34 0.00 0.00 0.00 179.25 179.66 3h3y s ASP 472 N -4.98 -0.30 -0.00 0.00 2.15 -1.26 -4.80 116.67 107.48 3h3y s ASP 472 Ca 0.05 -0.43 0.07 0.00 0.43 0.00 0.00 52.55 52.67 3h3y s ASP 472 Cb 0.09 0.59 0.21 0.00 -0.30 0.00 0.00 42.92 43.52 3h3y s ASP 472 CO 0.52 -1.07 1.16 1.41 -0.17 0.00 0.00 175.17 177.02 3h3y n HIS 473 N -0.36 0.34 -0.55 -5.34 8.25 -1.26 -3.97 115.22 112.34 3h3y n HIS 473 Ca -0.10 -0.16 0.01 0.00 -0.26 0.00 0.00 57.72 57.20 3h3y n HIS 473 Cb 0.62 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.73 3h3y n HIS 473 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3h3y n SER 474 N 0.20 1.24 -4.23 0.41 2.88 -1.26 -4.94 113.62 107.92 3h3y n SER 474 Ca 0.08 -1.76 -0.41 0.00 -1.33 0.00 0.00 58.87 55.45 3h3y n SER 474 Cb 0.22 -0.05 -0.04 0.00 -0.75 0.00 0.00 64.21 63.60 3h3y n SER 474 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3h3y s VAL 475 N -0.77 5.08 0.43 2.46 1.01 -1.25 -2.22 120.40 125.14 3h3y s VAL 475 Ca 0.03 -3.29 0.13 0.00 0.00 0.00 0.00 61.98 58.85 3h3y s VAL 475 Cb 0.02 -4.13 0.33 0.00 0.00 0.00 0.00 36.38 32.60 3h3y s VAL 475 CO 0.00 -1.08 1.98 0.40 0.00 0.00 0.00 175.10 176.40 3h3y h ILE 476 N 4.27 0.90 0.00 2.22 2.04 -1.84 -3.44 117.51 121.66 3h3y h ILE 476 Ca 0.13 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3h3y h ILE 476 Cb 0.90 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3h3y h ILE 476 CO 0.86 0.08 0.00 0.61 0.00 0.00 0.00 178.15 179.70 3h3y n GLY 477 N -1.51 2.08 3.56 5.37 0.00 -1.19 -5.06 105.19 108.44 3h3y n GLY 477 Ca 0.10 0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 3h3y n GLY 477 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h3y s SER 478 N 0.00 3.55 0.31 1.61 1.04 -1.26 -1.69 113.70 117.27 3h3y s SER 478 Ca 0.00 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.13 3h3y s SER 478 Cb 0.00 -0.33 -0.01 0.00 0.10 0.00 0.00 66.02 65.78 3h3y s SER 478 CO 0.00 -0.38 0.37 -0.94 0.98 0.00 0.00 173.24 173.26 3h3y s SER 479 N -3.63 1.01 -0.27 7.02 1.04 -0.04 -5.01 113.70 113.81 3h3y s SER 479 Ca 0.34 -1.53 -0.27 0.00 0.48 0.00 0.00 55.95 54.97 3h3y s SER 479 Cb 0.07 0.59 0.17 0.00 0.10 0.00 0.00 66.02 66.95 3h3y s SER 479 CO 0.17 -1.15 1.28 0.00 0.98 0.00 0.00 173.24 174.51 3h3y s ALA 480 N -3.38 -2.11 -0.08 5.32 0.00 -1.26 -2.14 121.76 118.10 3h3y s ALA 480 Ca 0.34 1.76 -0.01 0.00 0.00 0.00 0.00 51.96 54.05 3h3y s ALA 480 Cb 0.01 -1.52 0.03 0.00 0.00 0.00 0.00 23.12 21.64 3h3y s ALA 480 CO 0.21 -0.19 -0.02 0.99 0.00 0.00 0.00 175.76 176.75 3h3y s THR 481 N -0.31 0.54 0.25 0.00 2.01 -0.59 -4.98 115.64 112.56 3h3y s THR 481 Ca 0.06 0.01 0.08 0.00 0.31 0.00 0.00 61.69 62.15 3h3y s THR 481 Cb -0.04 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 3h3y s THR 481 CO -0.10 0.28 0.06 0.27 -0.69 0.00 0.00 174.62 174.45 3h3y s ILE 482 N 1.84 3.80 0.12 1.82 -4.36 -1.26 -1.03 121.20 122.13 3h3y s ILE 482 Ca 0.04 -1.69 0.02 0.00 -0.26 0.00 0.00 60.65 58.75 3h3y s ILE 482 Cb -0.12 -3.02 -0.04 0.00 1.25 0.00 0.00 42.46 40.52 3h3y s ILE 482 CO -0.06 -0.33 -0.04 -1.10 0.24 0.00 0.00 174.94 173.65 3h3y s GLN 483 N -3.63 0.92 -0.14 0.37 -0.21 -0.54 -4.59 119.66 111.84 3h3y s GLN 483 Ca 0.31 -1.40 -0.05 0.00 0.02 0.00 0.00 55.36 54.24 3h3y s GLN 483 Cb -0.07 -0.19 -0.04 0.00 1.00 0.00 0.00 33.01 33.71 3h3y s GLN 483 CO 0.21 -0.07 0.05 -1.64 -2.12 0.00 0.00 175.29 171.72 3h3y s MET 484 N -3.87 3.59 -0.20 2.91 -1.94 0.37 -0.80 119.30 119.36 3h3y s MET 484 Ca 0.16 -0.35 0.02 0.00 -1.71 0.00 0.00 55.69 53.81 3h3y s MET 484 Cb 0.06 -3.06 0.03 0.00 2.01 0.00 0.00 34.83 33.87 3h3y s MET 484 CO -0.02 0.47 -0.16 0.08 -0.01 0.00 0.00 175.02 175.38 3h3y s VAL 485 N -0.19 2.02 -0.22 -6.03 1.01 0.16 -2.38 120.40 114.77 3h3y s VAL 485 Ca 0.07 -1.13 -0.08 0.00 0.00 0.00 0.00 61.98 60.84 3h3y s VAL 485 Cb -0.12 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 3h3y s VAL 485 CO 0.02 0.33 0.09 -0.60 0.00 0.00 0.00 175.10 174.94 3h3y s ARG 486 N 1.26 3.90 -0.42 2.72 6.06 -0.62 -0.86 118.95 130.98 3h3y s ARG 486 Ca 0.00 -0.37 -0.20 0.00 -2.50 0.00 0.00 55.73 52.66 3h3y s ARG 486 Cb -0.15 -3.33 0.02 0.00 0.06 0.00 0.00 34.95 31.54 3h3y s ARG 486 CO -0.10 0.07 0.62 -1.21 -2.50 0.00 0.00 175.30 172.18 3h3y s GLU 487 N 0.94 3.35 -0.08 5.12 2.02 -1.26 -1.29 118.70 127.51 3h3y s GLU 487 Ca 0.05 -0.32 -0.26 0.00 0.02 0.00 0.00 54.97 54.46 3h3y s GLU 487 Cb -0.14 -3.92 -0.03 0.00 0.10 0.00 0.00 34.13 30.14 3h3y s GLU 487 CO 0.03 -0.93 0.81 0.08 0.02 0.00 0.00 175.26 175.26 3h3y s VAL 488 N 2.73 4.96 0.04 2.63 1.01 0.27 -4.97 120.40 127.06 3h3y s VAL 488 Ca 0.22 1.66 -0.21 0.00 0.00 0.00 0.00 61.98 63.65 3h3y s VAL 488 Cb -0.14 -4.14 -0.14 0.00 0.00 0.00 0.00 36.38 31.96 3h3y s VAL 488 CO 0.18 0.17 1.37 1.56 0.00 0.00 0.00 175.10 178.37 3h3y h GLN 489 N 6.92 0.33 -4.66 2.72 1.08 -1.89 -2.70 115.11 116.91 3h3y h GLN 489 Ca -0.38 -0.16 -0.58 0.00 -1.45 0.00 0.00 58.65 56.09 3h3y h GLN 489 Cb 1.18 -0.00 -0.35 0.00 -0.05 0.00 0.00 27.48 28.26 3h3y h GLN 489 CO 0.78 0.69 -0.83 1.21 -0.95 0.00 0.00 178.83 179.72 3h3y s ASN 490 N -6.04 2.40 0.32 1.46 2.47 -1.26 -4.27 114.94 110.02 3h3y s ASN 490 Ca -0.14 -0.41 0.16 0.00 0.42 0.00 0.00 52.86 52.88 3h3y s ASN 490 Cb 0.05 -1.06 0.48 0.00 -1.45 0.00 0.00 41.25 39.27 3h3y s ASN 490 CO 0.74 -0.01 1.65 2.19 -3.72 0.00 0.00 177.10 177.95 3h3y h PHE 491 N 7.57 0.00 -0.28 0.43 -0.00 -1.83 -3.36 116.94 119.47 3h3y h PHE 491 Ca -0.32 0.00 -0.14 0.00 -0.00 0.00 0.00 57.97 57.50 3h3y h PHE 491 Cb 1.16 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.11 3h3y h PHE 491 CO 0.48 0.49 -0.39 -0.92 -0.00 0.00 0.00 178.31 177.97 3h3y h TYR 492 N 0.00 0.94 -2.94 6.09 3.20 -1.95 -3.45 116.97 118.86 3h3y h TYR 492 Ca -0.00 -0.31 -0.13 0.00 3.14 0.00 0.00 58.73 61.42 3h3y h TYR 492 Cb 1.05 -0.19 -0.23 0.00 1.54 0.00 0.00 36.73 38.90 3h3y h TYR 492 CO 0.00 1.09 -0.30 -1.59 -1.64 0.00 0.00 178.16 175.72 3h3y s LYS 493 N -4.24 0.48 1.02 1.82 -2.85 -1.26 -0.89 119.74 113.83 3h3y s LYS 493 Ca -0.12 0.29 -0.12 0.00 -1.00 0.00 0.00 55.97 55.02 3h3y s LYS 493 Cb 0.09 0.23 0.20 0.00 -2.06 0.00 0.00 37.83 36.29 3h3y s LYS 493 CO 0.85 -0.09 1.08 0.95 0.10 0.00 0.00 175.35 178.24 3h3y s THR 494 N -0.25 2.20 0.80 3.79 -4.23 -0.25 -4.81 115.64 112.89 3h3y s THR 494 Ca -0.04 0.06 -0.14 0.00 -1.18 0.00 0.00 61.69 60.39 3h3y s THR 494 Cb -0.03 -2.23 0.05 0.00 1.34 0.00 0.00 72.50 71.62 3h3y s THR 494 CO 0.02 -0.08 0.99 -2.65 -0.54 0.00 0.00 174.62 172.35 3h3y n PRO 495 N -4.45 0.21 -0.18 3.99 -0.02 -1.26 -4.79 135.00 128.49 3h3y n PRO 495 Ca 0.06 0.14 0.14 0.00 -2.02 0.00 0.00 63.50 61.82 3h3y n PRO 495 Cb 0.54 -2.26 0.26 0.00 -0.02 0.00 0.00 33.50 32.03 3h3y n PRO 495 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3h3y n GLU 496 N -2.51 -0.04 0.00 -0.52 0.00 -1.26 -3.54 120.64 112.77 3h3y n GLU 496 Ca 0.12 0.80 0.00 0.00 0.00 0.00 0.00 57.16 58.08 3h3y n GLU 496 Cb 0.50 -1.36 0.00 0.00 0.00 0.00 0.00 31.44 30.58 3h3y n GLU 496 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3h3y n ALA 497 N -2.90 0.00 -3.00 -1.84 0.00 -1.26 -5.09 120.51 106.42 3h3y n ALA 497 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3h3y n ALA 497 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 3h3y n ALA 497 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h3y n GLY 498 N 2.02 1.23 3.34 0.00 0.00 -1.23 -4.89 105.19 105.66 3h3y n GLY 498 Ca 0.00 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.98 3h3y n GLY 498 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3h3y s ILE 499 N -2.30 2.73 0.07 -0.61 1.10 -0.12 -4.35 121.20 117.72 3h3y s ILE 499 Ca 0.00 -0.79 0.03 0.00 -0.51 0.00 0.00 60.65 59.38 3h3y s ILE 499 Cb 0.00 -2.10 -0.03 0.00 0.15 0.00 0.00 42.46 40.48 3h3y s ILE 499 CO 0.00 0.54 -0.09 -1.59 -2.11 0.00 0.00 174.94 171.69 3h3y s LYS 500 N 0.17 0.70 0.00 3.50 -2.85 -1.26 -0.76 119.74 119.25 3h3y s LYS 500 Ca -0.10 -0.98 0.23 0.00 -1.00 0.00 0.00 55.97 54.13 3h3y s LYS 500 Cb -0.16 -0.43 0.15 0.00 -2.06 0.00 0.00 37.83 35.33 3h3y s LYS 500 CO 0.06 0.07 1.17 0.66 0.10 0.00 0.00 175.35 177.40 3h3y n TYR 501 N 0.98 0.00 -1.75 1.78 4.01 -1.26 -4.93 117.16 115.99 3h3y n TYR 501 Ca -0.19 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.36 3h3y n TYR 501 Cb 0.56 -0.09 -0.06 0.00 -0.31 0.00 0.00 39.34 39.43 3h3y n TYR 501 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3h3y n ASN 502 N -1.21 -5.11 -3.56 7.72 3.02 -1.26 -4.86 115.26 110.00 3h3y n ASN 502 Ca 0.06 0.37 -0.14 0.00 -0.03 0.00 0.00 54.58 54.84 3h3y n ASN 502 Cb 0.35 -4.49 -0.05 0.00 -0.61 0.00 0.00 39.78 34.98 3h3y n ASN 502 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3h3y s ASN 503 N -2.48 -0.48 -0.17 6.41 0.01 -1.26 -4.46 114.94 112.50 3h3y s ASN 503 Ca 0.00 0.26 -0.26 0.00 -0.71 0.00 0.00 52.86 52.15 3h3y s ASN 503 Cb 0.00 0.50 -0.01 0.00 0.41 0.00 0.00 41.25 42.15 3h3y s ASN 503 CO 0.00 -0.71 0.87 -1.58 -1.51 0.00 0.00 177.10 174.17 3h3y s GLN 504 N -2.28 4.30 0.45 -0.60 2.00 -1.26 -4.87 119.66 117.40 3h3y s GLN 504 Ca -0.06 1.08 0.08 0.00 -2.00 0.00 0.00 55.36 54.46 3h3y s GLN 504 Cb -0.01 -3.58 0.02 0.00 0.80 0.00 0.00 33.01 30.24 3h3y s GLN 504 CO -0.00 -0.37 0.60 0.96 -0.50 0.00 0.00 175.29 175.98 3h3y s ILE 505 N 2.29 2.80 0.73 -2.34 -4.36 -1.26 0.39 121.20 119.45 3h3y s ILE 505 Ca 0.39 -1.02 0.01 0.00 -0.26 0.00 0.00 60.65 59.77 3h3y s ILE 505 Cb -0.16 -2.82 0.14 0.00 1.25 0.00 0.00 42.46 40.87 3h3y s ILE 505 CO 0.12 0.00 1.00 -0.54 0.24 0.00 0.00 174.94 175.76 3h3y s LYS 506 N -4.40 1.59 0.34 0.37 1.02 -0.83 -4.71 119.74 113.13 3h3y s LYS 506 Ca 0.56 -1.29 -0.27 0.00 0.02 0.00 0.00 55.97 54.99 3h3y s LYS 506 Cb -0.09 -2.35 -0.09 0.00 -0.52 0.00 0.00 37.83 34.78 3h3y s LYS 506 CO 0.34 -1.50 1.11 -0.51 -0.92 0.00 0.00 175.35 173.87 3h3y s ASP 507 N -4.79 6.92 0.00 2.83 1.11 -1.26 -3.08 116.67 118.39 3h3y s ASP 507 Ca 0.67 2.25 0.00 0.00 0.18 0.00 0.00 52.55 55.65 3h3y s ASP 507 Cb -0.04 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.33 3h3y s ASP 507 CO 0.45 -0.39 0.00 0.54 1.18 0.00 0.00 175.17 176.94 3h3y n ARG 508 N 0.55 -0.14 -0.03 8.23 1.74 -1.25 -4.80 116.66 120.95 3h3y n ARG 508 Ca 0.02 0.03 -0.13 0.00 -0.77 0.00 0.00 57.85 57.01 3h3y n ARG 508 Cb 0.46 -4.09 -0.08 0.00 -1.02 0.00 0.00 32.46 27.73 3h3y n ARG 508 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3h3y h SER 509 N 0.00 0.18 -2.12 0.55 0.87 -1.77 -3.41 113.55 107.84 3h3y h SER 509 Ca 0.00 -0.40 -0.59 0.00 -1.23 0.00 0.00 61.79 59.57 3h3y h SER 509 Cb 0.07 -0.05 0.02 0.00 -0.44 0.00 0.00 62.40 62.00 3h3y h SER 509 CO 0.00 0.54 1.16 0.80 -0.53 0.00 0.00 176.83 178.81 3h3y n MET 510 N -4.76 2.39 -3.65 2.24 0.00 -1.26 -4.07 117.12 108.01 3h3y n MET 510 Ca -0.07 0.87 -0.06 0.00 -0.00 0.00 0.00 57.70 58.44 3h3y n MET 510 Cb 0.25 -2.78 -0.07 0.00 0.00 0.00 0.00 33.22 30.62 3h3y n MET 510 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 3h3y s GLU 511 N 4.33 0.57 0.86 2.12 -1.05 -0.69 -1.49 118.70 123.35 3h3y s GLU 511 Ca 0.92 1.18 -0.13 0.00 -0.15 0.00 0.00 54.97 56.79 3h3y s GLU 511 Cb -0.60 0.32 0.11 0.00 -0.44 0.00 0.00 34.13 33.52 3h3y s GLU 511 CO 0.48 -0.18 1.20 -1.54 0.95 0.00 0.00 175.26 176.18 3h3y s SER 512 N 2.02 4.06 0.87 0.83 1.04 -0.84 -1.07 113.70 120.62 3h3y s SER 512 Ca -0.08 0.70 -0.00 0.00 0.48 0.00 0.00 55.95 57.04 3h3y s SER 512 Cb -0.08 -1.10 0.01 0.00 0.10 0.00 0.00 66.02 64.94 3h3y s SER 512 CO -0.18 -2.18 0.04 -0.46 0.98 0.00 0.00 173.24 171.45 3h3y n ASN 513 N -3.48 0.01 -4.89 7.02 0.23 -0.89 -4.53 115.26 108.73 3h3y n ASN 513 Ca 0.09 -1.02 -0.35 0.00 -0.53 0.00 0.00 54.58 52.77 3h3y n ASN 513 Cb 0.60 -0.03 -0.05 0.00 -2.08 0.00 0.00 39.78 38.22 3h3y n ASN 513 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3h3y s THR 514 N -0.83 5.36 0.00 5.53 -4.23 -1.26 -4.42 115.64 115.79 3h3y s THR 514 Ca 0.02 0.14 0.01 0.00 -1.18 0.00 0.00 61.69 60.68 3h3y s THR 514 Cb -0.00 -3.53 -0.00 0.00 1.34 0.00 0.00 72.50 70.30 3h3y s THR 514 CO 0.02 0.43 -0.02 0.72 -0.54 0.00 0.00 174.62 175.22 3h3y s PHE 515 N -1.23 0.19 0.09 3.99 -0.71 -0.05 -4.89 117.98 115.36 3h3y s PHE 515 Ca 0.24 -0.12 -0.31 0.00 -1.04 0.00 0.00 56.93 55.71 3h3y s PHE 515 Cb -0.13 -0.12 -0.08 0.00 -1.21 0.00 0.00 43.02 41.48 3h3y s PHE 515 CO 0.14 -0.03 1.52 -1.12 -1.34 0.00 0.00 175.22 174.38 3h3y s SER 516 N -0.31 6.71 -0.09 1.98 0.01 -1.26 -2.56 113.70 118.17 3h3y s SER 516 Ca -0.02 2.40 -0.06 0.00 1.31 0.00 0.00 55.95 59.58 3h3y s SER 516 Cb -0.02 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 3h3y s SER 516 CO -0.00 -0.78 0.15 0.12 0.41 0.00 0.00 173.24 173.14 3h3y s PHE 517 N 1.89 3.58 -0.44 2.43 5.36 -0.93 -2.25 117.98 127.62 3h3y s PHE 517 Ca 0.69 0.48 -0.09 0.00 -0.96 0.00 0.00 56.93 57.05 3h3y s PHE 517 Cb -0.38 -1.91 0.10 0.00 -0.34 0.00 0.00 43.02 40.49 3h3y s PHE 517 CO 0.30 0.71 0.29 1.21 -1.46 0.00 0.00 175.22 176.28 3h3y s ASN 518 N -1.28 5.65 0.01 6.13 2.47 0.20 -2.05 114.94 126.08 3h3y s ASN 518 Ca 0.18 -1.68 -0.05 0.00 0.42 0.00 0.00 52.86 51.73 3h3y s ASN 518 Cb -0.12 -1.99 -0.03 0.00 -1.45 0.00 0.00 41.25 37.66 3h3y s ASN 518 CO 0.08 -0.60 1.09 0.77 -3.72 0.00 0.00 177.10 174.72 3h3y h SER 519 N 8.41 -0.21 0.00 -4.21 4.64 -1.76 -3.47 113.55 116.95 3h3y h SER 519 Ca -0.22 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3h3y h SER 519 Cb 1.08 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3h3y h SER 519 CO 0.80 -0.10 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 3h3y n GLY 520 N -1.09 0.43 3.87 -0.77 0.00 -1.26 -5.01 105.19 101.37 3h3y n GLY 520 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3h3y n GLY 520 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h3y s ARG 521 N 0.00 3.60 0.18 1.61 0.52 -1.26 -4.98 118.95 118.62 3h3y s ARG 521 Ca 0.00 0.73 -0.07 0.00 -0.52 0.00 0.00 55.73 55.87 3h3y s ARG 521 Cb 0.00 -2.09 -0.06 0.00 0.52 0.00 0.00 34.95 33.31 3h3y s ARG 521 CO 0.00 -0.55 0.45 -1.59 0.02 0.00 0.00 175.30 173.63 3h3y s LYS 522 N -5.14 3.69 -0.06 3.54 0.00 -1.26 -3.29 119.74 117.21 3h3y s LYS 522 Ca 0.55 0.05 0.17 0.00 0.00 0.00 0.00 55.97 56.74 3h3y s LYS 522 Cb -0.11 -2.76 -0.26 0.00 0.00 0.00 0.00 37.83 34.70 3h3y s LYS 522 CO 0.53 0.40 0.30 1.55 0.00 0.00 0.00 175.35 178.14 3h3y n VAL 523 N -0.04 0.32 -3.19 1.79 3.14 -0.85 -4.90 118.33 114.58 3h3y n VAL 523 Ca -0.01 -0.49 -0.20 0.00 -2.96 0.00 0.00 64.34 60.67 3h3y n VAL 523 Cb 0.52 -0.09 0.02 0.00 -1.06 0.00 0.00 33.84 33.23 3h3y n VAL 523 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 3h3y n VAL 524 N -2.26 -7.76 -3.76 1.55 0.31 -1.24 -4.94 118.33 100.23 3h3y n VAL 524 Ca -0.10 0.40 -0.29 0.00 -0.01 0.00 0.00 64.34 64.34 3h3y n VAL 524 Cb 0.63 -5.54 -0.16 0.00 -0.91 0.00 0.00 33.84 27.86 3h3y n VAL 524 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3h3y s ASN 525 N -2.28 3.35 0.00 4.52 4.22 -1.25 -4.98 114.94 118.53 3h3y s ASN 525 Ca 0.25 -1.09 0.04 0.00 -2.14 0.00 0.00 52.86 49.91 3h3y s ASN 525 Cb -0.05 -0.75 0.16 0.00 1.28 0.00 0.00 41.25 41.90 3h3y s ASN 525 CO 0.82 -0.33 1.12 -2.65 -2.04 0.00 0.00 177.10 174.02 3h3y n PRO 526 N 4.94 0.00 0.02 3.55 -0.02 -1.21 -2.11 135.00 140.17 3h3y n PRO 526 Ca -0.08 0.44 -0.12 0.00 -2.02 0.00 0.00 63.50 61.73 3h3y n PRO 526 Cb 0.45 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.36 3h3y n PRO 526 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3h3y h ASP 527 N 0.00 0.05 -1.66 2.55 5.19 -2.00 -3.25 116.42 117.29 3h3y h ASP 527 Ca 0.00 -0.08 -0.60 0.00 -0.62 0.00 0.00 57.03 55.73 3h3y h ASP 527 Cb 0.06 -0.01 -0.41 0.00 0.18 0.00 0.00 39.33 39.15 3h3y h ASP 527 CO 0.00 0.11 -0.59 1.07 -3.12 0.00 0.00 179.24 176.71 3h3y n THR 528 N -5.02 2.58 0.00 0.35 5.66 -0.90 -5.06 114.28 111.89 3h3y n THR 528 Ca -0.07 -5.00 0.00 0.00 -3.05 0.00 0.00 64.05 55.93 3h3y n THR 528 Cb 0.07 -1.29 0.00 0.00 -1.55 0.00 0.00 70.33 67.56 3h3y n THR 528 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3h3y n GLY 529 N -0.45 0.93 0.00 1.09 0.00 -1.10 -4.40 105.19 101.27 3h3y n GLY 529 Ca 0.39 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.39 3h3y n GLY 529 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h3y n LEU 530 N 0.00 0.00 -3.39 0.99 4.77 -1.24 -3.29 117.00 114.84 3h3y n LEU 530 Ca 0.00 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3h3y n LEU 530 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 3h3y n LEU 530 CO 0.00 0.00 0.17 -1.61 -1.33 0.00 0.00 177.39 174.62 3h3y s GLU 531 N -0.02 0.54 0.22 3.23 2.02 -1.26 -3.61 118.70 119.82 3h3y s GLU 531 Ca 0.00 1.14 0.06 0.00 0.02 0.00 0.00 54.97 56.18 3h3y s GLU 531 Cb 0.00 0.57 -0.03 0.00 0.10 0.00 0.00 34.13 34.77 3h3y s GLU 531 CO 0.00 -0.44 0.24 -1.21 0.02 0.00 0.00 175.26 173.87 3h3y s GLU 532 N 2.83 3.12 -0.52 1.61 0.41 -1.26 -4.94 118.70 119.95 3h3y s GLU 532 Ca 0.09 -0.90 -0.01 0.00 -0.41 0.00 0.00 54.97 53.74 3h3y s GLU 532 Cb -0.14 -2.71 0.14 0.00 -1.78 0.00 0.00 34.13 29.64 3h3y s GLU 532 CO -0.19 0.44 0.30 0.34 -0.49 0.00 0.00 175.26 175.66 3h3y s ASP 533 N -3.69 5.03 -0.49 -0.19 -1.08 -1.26 -2.02 116.67 112.97 3h3y s ASP 533 Ca 0.33 -2.58 -0.46 0.00 -0.52 0.00 0.00 52.55 49.31 3h3y s ASP 533 Cb -0.09 -1.79 -0.20 0.00 -1.46 0.00 0.00 42.92 39.39 3h3y s ASP 533 CO 0.26 -0.39 1.65 0.52 0.52 0.00 0.00 175.17 177.72 3h3y n VAL 534 N 3.80 0.02 -3.74 1.11 0.31 -1.21 -4.83 118.33 113.79 3h3y n VAL 534 Ca 0.04 -0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.09 3h3y n VAL 534 Cb 0.38 -0.54 -0.16 0.00 -0.91 0.00 0.00 33.84 32.61 3h3y n VAL 534 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 3h3y s LEU 535 N 3.25 1.38 -0.11 7.52 0.05 -1.26 -2.30 118.68 127.22 3h3y s LEU 535 Ca 1.06 -0.97 -0.04 0.00 0.05 0.00 0.00 54.13 54.23 3h3y s LEU 535 Cb -1.48 -0.66 -0.04 0.00 -2.05 0.00 0.00 46.19 41.97 3h3y s LEU 535 CO 0.80 -0.32 0.04 -0.72 -0.55 0.00 0.00 176.35 175.59 3h3y s TYR 536 N 1.81 3.25 1.08 3.48 1.13 -0.87 -4.75 117.35 122.49 3h3y s TYR 536 Ca 0.00 0.22 -0.16 0.00 -1.41 0.00 0.00 57.07 55.73 3h3y s TYR 536 Cb -0.17 -1.87 0.12 0.00 -1.10 0.00 0.00 41.96 38.94 3h3y s TYR 536 CO -0.11 0.45 0.35 -0.25 -2.51 0.00 0.00 175.55 173.48 3h3y n ASP 537 N 2.38 -2.03 -3.61 -0.18 9.92 -1.26 -2.18 116.55 119.58 3h3y n ASP 537 Ca -0.19 0.01 -0.08 0.00 -0.53 0.00 0.00 54.79 54.01 3h3y n ASP 537 Cb 0.54 -1.10 -0.06 0.00 -0.64 0.00 0.00 41.12 39.86 3h3y n ASP 537 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3h3y s VAL 538 N -2.33 0.00 0.33 2.53 1.01 -1.06 -4.74 120.40 116.13 3h3y s VAL 538 Ca 0.59 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.61 3h3y s VAL 538 Cb -0.17 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 3h3y s VAL 538 CO 0.66 0.00 0.17 0.00 0.00 0.00 0.00 175.10 175.93 3h3y s ARG 539 N -0.63 1.68 -0.22 2.72 1.70 -1.26 -0.87 118.95 122.05 3h3y s ARG 539 Ca 0.02 -1.97 0.01 0.00 -0.47 0.00 0.00 55.73 53.32 3h3y s ARG 539 Cb -0.02 -0.13 0.06 0.00 -0.57 0.00 0.00 34.95 34.29 3h3y s ARG 539 CO -0.04 -0.48 -0.06 0.96 -1.08 0.00 0.00 175.30 174.60 3h3y s ILE 540 N -3.51 1.51 0.38 4.99 -4.36 -1.26 0.18 121.20 119.13 3h3y s ILE 540 Ca 0.34 -1.14 0.08 0.00 -0.26 0.00 0.00 60.65 59.67 3h3y s ILE 540 Cb 0.04 -1.74 -0.04 0.00 1.25 0.00 0.00 42.46 41.97 3h3y s ILE 540 CO 0.18 -0.05 0.25 -0.69 0.24 0.00 0.00 174.94 174.88 3h3y s VAL 541 N 1.42 2.78 0.18 8.37 1.01 -0.37 -1.99 120.40 131.79 3h3y s VAL 541 Ca -0.05 -1.54 0.09 0.00 0.00 0.00 0.00 61.98 60.49 3h3y s VAL 541 Cb -0.18 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 3h3y s VAL 541 CO -0.07 -0.07 -0.13 -0.94 0.00 0.00 0.00 175.10 173.89 3h3y s SER 542 N -3.97 4.08 0.29 3.32 1.04 -0.55 -1.16 113.70 116.74 3h3y s SER 542 Ca 0.42 -0.62 0.03 0.00 0.48 0.00 0.00 55.95 56.26 3h3y s SER 542 Cb -0.01 -0.63 0.03 0.00 0.10 0.00 0.00 66.02 65.51 3h3y s SER 542 CO 0.25 0.11 0.26 0.35 0.98 0.00 0.00 173.24 175.19 3h3y n THR 543 N 0.16 0.00 -2.45 2.02 -2.24 -0.94 -3.94 114.28 106.90 3h3y n THR 543 Ca -0.12 -1.11 -0.38 0.00 -2.27 0.00 0.00 64.05 60.17 3h3y n THR 543 Cb 0.55 -0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 68.38 3h3y n THR 543 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3h3y s ASP 544 N -2.73 6.90 0.27 3.42 -0.00 -0.83 -4.01 116.67 119.69 3h3y s ASP 544 Ca 0.20 2.22 -0.28 0.00 -0.00 0.00 0.00 52.55 54.68 3h3y s ASP 544 Cb -0.02 -2.61 -0.14 0.00 -0.00 0.00 0.00 42.92 40.15 3h3y s ASP 544 CO 0.13 -0.40 0.96 0.54 -0.00 0.00 0.00 175.17 176.40 3h3y n ARG 545 N 0.47 1.18 -0.28 8.23 1.74 -1.26 -4.39 116.66 122.35 3h3y n ARG 545 Ca 0.02 0.41 -0.04 0.00 -0.77 0.00 0.00 57.85 57.47 3h3y n ARG 545 Cb 0.47 -1.75 0.03 0.00 -1.02 0.00 0.00 32.46 30.19 3h3y n ARG 545 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3h3y n ASP 546 N 1.38 0.01 -4.73 0.55 5.75 0.20 -4.85 116.55 114.87 3h3y n ASP 546 Ca 0.11 -1.07 -0.41 0.00 -0.01 0.00 0.00 54.79 53.41 3h3y n ASP 546 Cb 0.31 -0.15 -0.04 0.00 -1.03 0.00 0.00 41.12 40.21 3h3y n ASP 546 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3h3y s SER 547 N -1.71 7.15 0.00 -1.12 1.04 -1.26 -3.16 113.70 114.65 3h3y s SER 547 Ca 0.11 2.12 0.00 0.00 0.48 0.00 0.00 55.95 58.66 3h3y s SER 547 Cb -0.00 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.52 3h3y s SER 547 CO 0.08 -0.34 0.00 2.29 0.98 0.00 0.00 173.24 176.25 3h3y n LYS 548 N 2.82 -0.59 -0.58 4.02 2.85 -1.26 -4.66 118.16 120.76 3h3y n LYS 548 Ca 0.05 0.15 0.00 0.00 -1.05 0.00 0.00 58.31 57.46 3h3y n LYS 548 Cb 0.46 -3.61 0.00 0.00 -0.65 0.00 0.00 35.03 31.22 3h3y n LYS 548 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3h3y n GLY 549 N -1.68 0.75 3.62 2.58 0.00 -1.19 -5.03 105.19 104.24 3h3y n GLY 549 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3h3y n GLY 549 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h3y s ILE 550 N -2.62 4.04 0.46 -0.61 -1.09 -1.26 -2.16 121.20 117.96 3h3y s ILE 550 Ca 0.00 -0.34 0.04 0.00 -2.23 0.00 0.00 60.65 58.11 3h3y s ILE 550 Cb 0.00 -2.69 0.04 0.00 -1.58 0.00 0.00 42.46 38.22 3h3y s ILE 550 CO 0.00 0.58 0.29 0.61 -1.23 0.00 0.00 174.94 175.20 3h3y n GLY 551 N 2.39 2.92 3.22 6.18 0.00 -0.01 0.62 105.19 120.52 3h3y n GLY 551 Ca -0.18 -2.29 -0.31 0.00 0.00 0.00 0.00 46.02 43.24 3h3y n GLY 551 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3y s LYS 552 N -3.85 2.84 -0.64 1.61 -0.14 -1.26 -2.87 119.74 115.42 3h3y s LYS 552 Ca 0.22 -0.86 -0.23 0.00 -1.36 0.00 0.00 55.97 53.75 3h3y s LYS 552 Cb -0.02 -2.21 0.07 0.00 -1.68 0.00 0.00 37.83 33.99 3h3y s LYS 552 CO 0.14 0.22 0.96 0.08 -0.76 0.00 0.00 175.35 175.99 3h3y s VAL 553 N 0.22 4.34 0.24 3.17 1.01 -1.21 -2.20 120.40 125.96 3h3y s VAL 553 Ca -0.15 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 61.63 3h3y s VAL 553 Cb -0.17 -4.66 -0.04 0.00 0.00 0.00 0.00 36.38 31.52 3h3y s VAL 553 CO 0.07 -1.41 0.15 0.27 0.00 0.00 0.00 175.10 174.19 3h3y s ILE 554 N 4.04 4.30 -0.10 2.22 -4.36 -0.31 -1.84 121.20 125.15 3h3y s ILE 554 Ca 0.23 -1.42 0.04 0.00 -0.26 0.00 0.00 60.65 59.24 3h3y s ILE 554 Cb -0.16 -3.30 0.00 0.00 1.25 0.00 0.00 42.46 40.25 3h3y s ILE 554 CO 0.11 -0.31 -0.22 -0.51 0.24 0.00 0.00 174.94 174.25 3h3y s ILE 555 N -2.08 1.94 0.32 8.37 2.07 0.43 -1.24 121.20 131.02 3h3y s ILE 555 Ca 0.32 -0.95 -0.09 0.00 -1.41 0.00 0.00 60.65 58.53 3h3y s ILE 555 Cb -0.08 -1.69 -0.06 0.00 0.13 0.00 0.00 42.46 40.76 3h3y s ILE 555 CO 0.24 0.53 -0.49 0.61 -1.91 0.00 0.00 174.94 173.92 3h3y n GLY 556 N 3.62 -0.98 3.69 1.50 0.00 0.47 -2.62 105.19 110.88 3h3y n GLY 556 Ca -0.20 -0.05 -0.44 0.00 0.00 0.00 0.00 46.02 45.34 3h3y n GLY 556 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h3y n PRO 557 N 0.80 2.21 -4.42 1.61 -0.02 -1.26 -4.57 135.00 129.35 3h3y n PRO 557 Ca -0.01 0.78 -0.21 0.00 -2.02 0.00 0.00 63.50 62.04 3h3y n PRO 557 Cb 0.24 -2.46 -0.09 0.00 -0.02 0.00 0.00 33.50 31.16 3h3y n PRO 557 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3h3y s PHE 558 N -0.19 1.75 -0.77 6.00 0.40 -0.82 -4.88 117.98 119.47 3h3y s PHE 558 Ca 0.65 -1.20 0.03 0.00 -0.60 0.00 0.00 56.93 55.81 3h3y s PHE 558 Cb -0.60 -1.08 0.32 0.00 0.51 0.00 0.00 43.02 42.18 3h3y s PHE 558 CO 0.51 -0.28 1.26 0.00 0.70 0.00 0.00 175.22 177.42 3h3y n ALA 559 N -0.69 5.14 -0.47 5.36 0.00 -1.26 -3.60 120.51 124.98 3h3y n ALA 559 Ca -0.02 -4.69 0.00 0.00 0.00 0.00 0.00 53.44 48.73 3h3y n ALA 559 Cb 0.66 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3h3y n ALA 559 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h3y n SER 560 N 0.00 0.00 -0.14 0.00 2.88 -1.26 -3.73 113.62 111.37 3h3y n SER 560 Ca 0.36 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.79 3h3y n SER 560 Cb 0.34 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.75 3h3y n SER 560 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3h3y h GLY 561 N 0.00 -0.65 0.28 0.46 0.00 -2.03 -2.87 103.07 98.26 3h3y h GLY 561 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 47.33 47.92 3h3y h GLY 561 CO 0.00 -0.16 0.00 2.09 0.00 0.00 0.00 176.54 178.47 3h3y n ASP 562 N -5.40 0.00 -4.02 0.19 5.68 -1.24 -4.23 116.55 107.52 3h3y n ASP 562 Ca -0.01 -1.09 -0.30 0.00 -0.50 0.00 0.00 54.79 52.89 3h3y n ASP 562 Cb 0.35 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.16 3h3y n ASP 562 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 3h3y s VAL 563 N -2.00 1.53 -0.12 2.12 1.01 -1.08 -5.03 120.40 116.82 3h3y s VAL 563 Ca 0.09 -0.61 -0.26 0.00 0.00 0.00 0.00 61.98 61.19 3h3y s VAL 563 Cb 0.04 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 3h3y s VAL 563 CO 0.07 0.45 0.85 0.42 0.00 0.00 0.00 175.10 176.89 3h3y s THR 564 N 1.44 4.89 -0.09 3.92 -4.23 -1.26 -4.90 115.64 115.41 3h3y s THR 564 Ca 0.04 1.71 0.02 0.00 -1.18 0.00 0.00 61.69 62.28 3h3y s THR 564 Cb -0.13 -4.17 -0.02 0.00 1.34 0.00 0.00 72.50 69.53 3h3y s THR 564 CO -0.09 0.08 -0.16 -1.61 -0.54 0.00 0.00 174.62 172.29 3h3y s GLU 565 N 1.78 2.96 0.19 3.99 2.02 -1.26 -4.98 118.70 123.40 3h3y s GLU 565 Ca 0.41 -0.73 0.05 0.00 0.02 0.00 0.00 54.97 54.71 3h3y s GLU 565 Cb -0.17 -2.46 -0.05 0.00 0.10 0.00 0.00 34.13 31.55 3h3y s GLU 565 CO 0.16 0.37 -0.07 0.54 0.02 0.00 0.00 175.26 176.28 3h3y s ASN 566 N -0.07 1.93 0.15 -0.19 4.22 -1.18 -5.03 114.94 114.77 3h3y s ASN 566 Ca -0.03 -1.10 -0.32 0.00 -2.14 0.00 0.00 52.86 49.27 3h3y s ASN 566 Cb -0.14 -0.02 -0.12 0.00 1.28 0.00 0.00 41.25 42.25 3h3y s ASN 566 CO 0.04 -0.38 1.74 1.21 -2.04 0.00 0.00 177.10 177.67 3h3y n GLU 567 N -0.31 2.61 0.00 3.55 0.00 -1.26 -1.93 120.64 123.30 3h3y n GLU 567 Ca -0.08 0.94 0.00 0.00 0.00 0.00 0.00 57.16 58.03 3h3y n GLU 567 Cb 0.62 -2.79 0.00 0.00 0.00 0.00 0.00 31.44 29.27 3h3y n GLU 567 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 3h3y n ASN 568 N 4.63 0.00 -4.52 4.31 6.94 -1.26 -4.96 115.26 120.39 3h3y n ASN 568 Ca 0.17 0.00 -0.42 0.00 -0.02 0.00 0.00 54.58 54.31 3h3y n ASN 568 Cb 0.34 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.74 3h3y n ASN 568 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3h3y s ILE 569 N 0.00 4.31 0.09 1.53 1.01 -0.81 -4.96 121.20 122.37 3h3y s ILE 569 Ca 0.00 -1.33 0.03 0.00 0.00 0.00 0.00 60.65 59.35 3h3y s ILE 569 Cb 0.00 -4.97 -0.04 0.00 0.01 0.00 0.00 42.46 37.47 3h3y s ILE 569 CO 0.00 -1.78 -0.08 -1.10 0.00 0.00 0.00 174.94 171.98 3h3y s GLN 570 N 3.82 0.79 0.20 2.79 1.11 -1.26 -3.12 119.66 123.99 3h3y s GLN 570 Ca 0.42 -1.15 -0.30 0.00 0.01 0.00 0.00 55.36 54.35 3h3y s GLN 570 Cb -0.01 -0.38 -0.16 0.00 -1.01 0.00 0.00 33.01 31.44 3h3y s GLN 570 CO -0.07 0.04 0.79 -2.30 0.01 0.00 0.00 175.29 173.76 3h3y n PRO 571 N 0.51 0.54 -2.55 2.91 -0.02 -1.26 -4.78 135.00 130.34 3h3y n PRO 571 Ca -0.16 0.19 -0.37 0.00 -2.02 0.00 0.00 63.50 61.14 3h3y n PRO 571 Cb 0.58 -1.40 -0.04 0.00 -0.02 0.00 0.00 33.50 32.62 3h3y n PRO 571 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3h3y s TYR 572 N -0.83 3.37 -0.10 6.00 5.04 -0.21 -5.02 117.35 125.60 3h3y s TYR 572 Ca 0.66 1.67 -0.02 0.00 -2.44 0.00 0.00 57.07 56.94 3h3y s TYR 572 Cb -0.88 -3.14 0.04 0.00 0.35 0.00 0.00 41.96 38.33 3h3y s TYR 572 CO 0.57 -0.53 0.03 -0.08 -1.34 0.00 0.00 175.55 174.20 3h3y s THR 573 N -1.56 0.22 0.00 4.34 -1.32 -1.26 -4.64 115.64 111.42 3h3y s THR 573 Ca 0.54 0.03 0.00 0.00 -1.21 0.00 0.00 61.69 61.05 3h3y s THR 573 Cb -0.24 -0.54 0.00 0.00 -1.51 0.00 0.00 72.50 70.21 3h3y s THR 573 CO 0.30 0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.40 3h3y n GLY 574 N 5.18 0.10 2.03 6.08 0.00 -1.26 -4.98 105.19 112.34 3h3y n GLY 574 Ca -0.06 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 3h3y n GLY 574 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h3y n ASN 575 N -0.71 -3.36 -2.19 1.61 5.03 -1.26 -4.82 115.26 109.57 3h3y n ASN 575 Ca 0.00 0.28 -0.27 0.00 0.87 0.00 0.00 54.58 55.46 3h3y n ASN 575 Cb 0.00 -3.05 0.11 0.00 -1.02 0.00 0.00 39.78 35.81 3h3y n ASN 575 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3h3y n ASP 576 N -0.34 5.99 -2.37 6.41 5.75 -1.26 -4.92 116.55 125.81 3h3y n ASP 576 Ca -0.11 -3.56 -0.09 0.00 -0.01 0.00 0.00 54.79 51.01 3h3y n ASP 576 Cb 0.40 -0.92 -0.01 0.00 -1.03 0.00 0.00 41.12 39.56 3h3y n ASP 576 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 3h3y n PHE 577 N -0.78 -1.31 -3.58 2.11 -1.74 -1.26 -1.96 117.46 108.94 3h3y n PHE 577 Ca 0.55 -1.58 -0.39 0.00 -0.56 0.00 0.00 57.45 55.47 3h3y n PHE 577 Cb 1.00 0.44 -0.11 0.00 1.52 0.00 0.00 39.48 42.33 3h3y n PHE 577 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 3h3y s ASN 578 N -2.50 5.86 0.73 5.98 0.01 -1.26 -5.09 114.94 118.67 3h3y s ASN 578 Ca 0.19 -0.43 -0.10 0.00 -0.71 0.00 0.00 52.86 51.80 3h3y s ASN 578 Cb -0.01 -2.09 0.04 0.00 0.41 0.00 0.00 41.25 39.61 3h3y s ASN 578 CO 0.13 -0.21 1.09 -0.54 -1.51 0.00 0.00 177.10 176.07 3h3y s LYS 579 N 1.68 2.44 0.29 -0.60 1.02 -1.26 -4.96 119.74 118.36 3h3y s LYS 579 Ca 0.06 0.16 0.11 0.00 0.02 0.00 0.00 55.97 56.31 3h3y s LYS 579 Cb -0.17 -2.05 -0.05 0.00 -0.52 0.00 0.00 37.83 35.04 3h3y s LYS 579 CO 0.09 -1.23 -0.11 -0.48 -0.92 0.00 0.00 175.35 172.71 3h3y s LEU 580 N -5.37 2.82 0.10 3.17 0.05 -1.26 -5.09 118.68 113.10 3h3y s LEU 580 Ca 0.59 -0.94 -0.35 0.00 0.05 0.00 0.00 54.13 53.48 3h3y s LEU 580 Cb -0.11 -1.28 -0.15 0.00 -2.05 0.00 0.00 46.19 42.60 3h3y s LEU 580 CO 0.49 -0.04 1.49 0.00 -0.55 0.00 0.00 176.35 177.74 3h3y n ALA 581 N -0.76 0.29 -2.49 1.48 0.00 -1.26 -4.99 120.51 112.78 3h3y n ALA 581 Ca -0.05 0.47 -0.23 0.00 0.00 0.00 0.00 53.44 53.63 3h3y n ALA 581 Cb 0.60 -2.24 -0.11 0.00 0.00 0.00 0.00 19.45 17.71 3h3y n ALA 581 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3h3y s ASN 582 N 0.95 2.83 0.00 0.00 -0.87 -1.26 -4.98 114.94 111.61 3h3y s ASN 582 Ca 0.82 -1.34 0.00 0.00 -1.57 0.00 0.00 52.86 50.78 3h3y s ASN 582 Cb -0.81 -0.18 0.00 0.00 -0.02 0.00 0.00 41.25 40.24 3h3y s ASN 582 CO 0.43 -0.51 0.01 -1.20 -2.57 0.00 0.00 177.10 173.26 3h3y n SER 583 N -0.74 0.02 -4.83 -1.22 7.64 -1.26 -5.10 113.62 108.14 3h3y n SER 583 Ca -0.04 -0.20 -0.22 0.00 1.01 0.00 0.00 58.87 59.43 3h3y n SER 583 Cb 0.66 0.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.97 3h3y n SER 583 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3h3y s ASP 584 N -0.15 5.34 -1.34 6.43 1.01 -1.26 -5.03 116.67 121.68 3h3y s ASP 584 Ca 0.00 -0.41 -0.17 0.00 0.71 0.00 0.00 52.55 52.68 3h3y s ASP 584 Cb 0.00 -1.13 0.07 0.00 1.01 0.00 0.00 42.92 42.87 3h3y s ASP 584 CO 0.00 -0.22 1.85 0.61 0.21 0.00 0.00 175.17 177.62 3h3y n GLY 585 N -1.28 3.13 2.77 0.21 0.00 -1.26 -4.90 105.19 103.86 3h3y n GLY 585 Ca -0.04 -1.54 -0.26 0.00 0.00 0.00 0.00 46.02 44.18 3h3y n GLY 585 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h3y s ARG 586 N 3.76 0.72 0.00 1.61 0.52 -1.26 -4.80 118.95 119.51 3h3y s ARG 586 Ca 0.51 -0.21 0.09 0.00 -0.52 0.00 0.00 55.73 55.60 3h3y s ARG 586 Cb 0.06 -1.64 0.14 0.00 0.52 0.00 0.00 34.95 34.03 3h3y s ARG 586 CO 0.03 -0.48 0.97 -0.40 0.02 0.00 0.00 175.30 175.44 3h3y n ASP 587 N 5.07 0.08 -4.12 0.23 3.85 -1.24 -4.79 116.55 115.63 3h3y n ASP 587 Ca -0.09 -1.82 -0.37 0.00 -0.71 0.00 0.00 54.79 51.80 3h3y n ASP 587 Cb 0.48 -0.07 -0.10 0.00 -1.35 0.00 0.00 41.12 40.08 3h3y n ASP 587 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3h3y s LYS 588 N 0.00 2.36 0.20 0.11 1.02 -1.24 -4.91 119.74 117.29 3h3y s LYS 588 Ca 0.11 -2.17 -0.05 0.00 0.02 0.00 0.00 55.97 53.88 3h3y s LYS 588 Cb 0.13 -3.71 -0.05 0.00 -0.52 0.00 0.00 37.83 33.67 3h3y s LYS 588 CO -0.06 -1.14 0.45 0.71 -0.92 0.00 0.00 175.35 174.39 3h3y s TYR 589 N 0.56 3.47 0.26 3.18 2.02 -1.26 -1.94 117.35 123.63 3h3y s TYR 589 Ca 0.12 0.58 0.07 0.00 -0.37 0.00 0.00 57.07 57.47 3h3y s TYR 589 Cb -0.22 -2.03 -0.06 0.00 -0.40 0.00 0.00 41.96 39.26 3h3y s TYR 589 CO -0.04 0.33 -0.08 0.71 -1.57 0.00 0.00 175.55 174.91 3h3y s TYR 590 N -1.83 1.91 -0.22 2.71 1.51 -1.08 -1.05 117.35 119.31 3h3y s TYR 590 Ca 0.42 -0.67 -0.05 0.00 -1.01 0.00 0.00 57.07 55.76 3h3y s TYR 590 Cb -0.11 -1.05 -0.02 0.00 -0.11 0.00 0.00 41.96 40.67 3h3y s TYR 590 CO 0.26 0.30 0.01 0.08 -1.11 0.00 0.00 175.55 175.10 3h3y s VAL 591 N -2.99 3.94 0.51 0.71 1.01 -1.26 -0.43 120.40 121.89 3h3y s VAL 591 Ca 0.28 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.96 3h3y s VAL 591 Cb 0.03 -2.80 -0.00 0.00 0.00 0.00 0.00 36.38 33.60 3h3y s VAL 591 CO 0.11 0.40 0.01 2.30 0.00 0.00 0.00 175.10 177.93 3h3y n ILE 592 N 4.54 0.00 0.00 2.22 -5.35 -0.77 -4.90 119.36 115.11 3h3y n ILE 592 Ca -0.17 -2.47 0.00 0.00 -0.27 0.00 0.00 62.75 59.84 3h3y n ILE 592 Cb 0.51 0.53 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 3h3y n ILE 592 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h3y n GLY 593 N -1.22 0.00 3.63 3.28 0.00 -1.25 -3.34 105.19 106.29 3h3y n GLY 593 Ca -0.20 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 3h3y n GLY 593 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3h3y s GLU 594 N 0.00 0.18 -0.20 1.61 -1.05 0.15 -3.39 118.70 116.00 3h3y s GLU 594 Ca 0.00 0.04 -0.14 0.00 -0.15 0.00 0.00 54.97 54.72 3h3y s GLU 594 Cb 0.00 0.09 -0.04 0.00 -0.44 0.00 0.00 34.13 33.73 3h3y s GLU 594 CO 0.00 -0.06 0.31 0.42 0.95 0.00 0.00 175.26 176.88 3h3y s ILE 595 N -1.06 5.27 -0.78 1.83 1.09 -1.14 -2.79 121.20 123.62 3h3y s ILE 595 Ca 0.07 0.53 -0.16 0.00 -1.10 0.00 0.00 60.65 59.99 3h3y s ILE 595 Cb -0.01 -3.65 0.17 0.00 -1.06 0.00 0.00 42.46 37.92 3h3y s ILE 595 CO -0.06 0.31 0.81 0.21 -0.10 0.00 0.00 174.94 176.11 3h3y s ASN 596 N 0.91 6.59 0.16 3.58 3.04 0.30 -0.83 114.94 128.69 3h3y s ASN 596 Ca 0.15 -2.28 -0.20 0.00 0.04 0.00 0.00 52.86 50.58 3h3y s ASN 596 Cb -0.14 -2.26 0.08 0.00 -1.54 0.00 0.00 41.25 37.39 3h3y s ASN 596 CO 0.06 -0.79 1.63 1.88 -3.04 0.00 0.00 177.10 176.84 3h3y h TYR 597 N 8.33 -0.55 -0.21 0.43 0.05 -1.72 -0.14 116.97 123.16 3h3y h TYR 597 Ca 0.02 0.04 -0.13 0.00 0.05 0.00 0.00 58.73 58.71 3h3y h TYR 597 Cb 1.05 0.30 -0.01 0.00 1.01 0.00 0.00 36.73 39.08 3h3y h TYR 597 CO 1.00 -0.29 -0.41 -1.35 -1.05 0.00 0.00 178.16 176.06 3h3y h PRO 598 N -0.16 0.49 -0.60 4.88 0.11 -1.93 -2.67 132.00 132.12 3h3y h PRO 598 Ca 0.18 -0.25 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3h3y h PRO 598 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 3h3y h PRO 598 CO -0.46 0.82 0.00 0.00 -0.21 0.00 0.00 178.00 178.15 3h3y n ALA 599 N -2.50 2.88 -0.49 -0.75 0.00 -1.01 -4.98 120.51 113.66 3h3y n ALA 599 Ca -0.02 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.39 3h3y n ALA 599 Cb 0.51 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.94 3h3y n ALA 599 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3h3y n ASP 600 N 0.68 0.00 -4.19 0.00 5.75 -0.10 -4.96 116.55 113.73 3h3y n ASP 600 Ca 0.17 0.00 -0.24 0.00 -0.01 0.00 0.00 54.79 54.71 3h3y n ASP 600 Cb 0.62 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.57 3h3y n ASP 600 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3h3y s VAL 601 N 0.00 1.44 -0.18 2.12 -7.23 -1.09 -4.43 120.40 111.02 3h3y s VAL 601 Ca 0.00 -0.95 -0.01 0.00 -1.81 0.00 0.00 61.98 59.21 3h3y s VAL 601 Cb 0.00 -1.23 0.05 0.00 0.56 0.00 0.00 36.38 35.76 3h3y s VAL 601 CO 0.00 0.26 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.41 3h3y s ILE 602 N -0.62 0.93 -0.01 -0.62 1.01 0.07 -0.54 121.20 121.42 3h3y s ILE 602 Ca 0.06 -0.68 0.08 0.00 0.00 0.00 0.00 60.65 60.12 3h3y s ILE 602 Cb -0.08 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.12 3h3y s ILE 602 CO 0.00 -0.03 -0.26 -0.47 0.00 0.00 0.00 174.94 174.18 3h3y s TYR 603 N 1.69 2.33 0.10 3.97 5.04 -1.12 -0.95 117.35 128.42 3h3y s TYR 603 Ca -0.01 -0.44 -0.14 0.00 -2.44 0.00 0.00 57.07 54.05 3h3y s TYR 603 Cb -0.16 -1.49 0.02 0.00 0.35 0.00 0.00 41.96 40.68 3h3y s TYR 603 CO -0.07 -0.02 0.33 1.67 -1.34 0.00 0.00 175.55 176.11 3h3y s TRP 604 N -0.63 -0.08 -0.27 4.97 -2.14 -1.26 0.31 118.94 119.84 3h3y s TRP 604 Ca 0.10 -0.25 -0.00 0.00 2.66 0.00 0.00 56.10 58.61 3h3y s TRP 604 Cb -0.10 0.14 0.15 0.00 -3.10 0.00 0.00 33.47 30.56 3h3y s TRP 604 CO -0.01 -0.63 0.39 1.21 -2.66 0.00 0.00 176.95 175.26 3h3y s ASN 605 N -2.74 0.34 0.55 -2.66 3.84 -1.26 -1.09 114.94 111.93 3h3y s ASN 605 Ca 0.03 -0.11 0.38 0.00 0.21 0.00 0.00 52.86 53.37 3h3y s ASN 605 Cb 0.03 1.11 1.56 0.00 -0.55 0.00 0.00 41.25 43.39 3h3y s ASN 605 CO -0.11 -0.33 1.76 0.40 -2.79 0.00 0.00 177.10 176.03 3h3y h ILE 606 N 6.17 0.34 -0.93 -5.21 1.08 -1.34 0.88 117.51 118.50 3h3y h ILE 606 Ca -0.14 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.57 3h3y h ILE 606 Cb 1.13 0.35 -0.06 0.00 -3.07 0.00 0.00 36.82 35.18 3h3y h ILE 606 CO 0.27 0.00 0.63 0.00 -0.69 0.00 0.00 178.15 178.37 3h3y h ALA 607 N 1.32 2.51 0.00 1.87 0.00 -1.80 -0.58 119.26 122.57 3h3y h ALA 607 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.51 3h3y h ALA 607 Cb 2.45 0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.26 3h3y h ALA 607 CO -0.01 -0.80 0.00 1.63 0.00 0.00 0.00 179.25 180.08 3h3y n LYS 608 N -4.42 0.00 -0.44 0.00 5.02 0.30 -1.07 118.16 117.55 3h3y n LYS 608 Ca 0.20 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.50 3h3y n LYS 608 Cb 0.85 -1.31 0.01 0.00 -0.02 0.00 0.00 35.03 34.56 3h3y n LYS 608 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3h3y n ILE 609 N -0.72 0.19 -3.33 -0.18 -5.35 -0.23 -4.98 119.36 104.77 3h3y n ILE 609 Ca 0.00 -0.23 -0.17 0.00 -0.27 0.00 0.00 62.75 62.09 3h3y n ILE 609 Cb 0.00 0.44 0.07 0.00 -1.74 0.00 0.00 39.64 38.41 3h3y n ILE 609 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3h3y n ASN 610 N -0.14 -5.31 -3.58 7.28 3.02 -0.23 -4.75 115.26 111.54 3h3y n ASN 610 Ca 0.02 -0.71 -0.29 0.00 -0.03 0.00 0.00 54.58 53.57 3h3y n ASN 610 Cb 0.69 -5.06 -0.15 0.00 -0.61 0.00 0.00 39.78 34.65 3h3y n ASN 610 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3h3y s LEU 611 N -5.72 0.78 0.60 3.41 1.43 -1.26 -4.93 118.68 112.99 3h3y s LEU 611 Ca 0.34 -1.27 -0.18 0.00 -1.03 0.00 0.00 54.13 51.98 3h3y s LEU 611 Cb -0.05 -0.42 -0.03 0.00 0.03 0.00 0.00 46.19 45.72 3h3y s LEU 611 CO 0.75 -0.43 1.20 0.42 0.23 0.00 0.00 176.35 178.52 3h3y s THR 612 N 2.03 2.64 0.32 5.49 -4.23 -1.26 -4.57 115.64 116.06 3h3y s THR 612 Ca 0.08 0.39 0.09 0.00 -1.18 0.00 0.00 61.69 61.07 3h3y s THR 612 Cb -0.16 -3.13 0.34 0.00 1.34 0.00 0.00 72.50 70.89 3h3y s THR 612 CO -0.32 -0.10 1.63 0.28 -0.54 0.00 0.00 174.62 175.57 3h3y h SER 613 N 0.79 0.14 -1.29 3.99 0.02 -2.00 0.18 113.55 115.38 3h3y h SER 613 Ca -0.50 0.22 0.46 0.00 -0.84 0.00 0.00 61.79 61.12 3h3y h SER 613 Cb 1.30 0.26 -0.14 0.00 0.14 0.00 0.00 62.40 63.95 3h3y h SER 613 CO 0.55 -0.23 0.82 -0.62 -1.14 0.00 0.00 176.83 176.21 3h3y n GLU 614 N -5.22 -0.04 0.20 3.45 4.71 -1.26 -0.97 120.64 121.52 3h3y n GLU 614 Ca 0.28 1.23 0.14 0.00 -0.01 0.00 0.00 57.16 58.80 3h3y n GLU 614 Cb 0.89 -2.40 0.53 0.00 -1.01 0.00 0.00 31.44 29.45 3h3y n GLU 614 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 3h3y h LYS 615 N 0.00 0.00 -5.32 3.49 1.79 -0.97 -3.43 116.57 112.13 3h3y h LYS 615 Ca 0.85 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 58.66 3h3y h LYS 615 Cb 2.69 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 33.07 3h3y h LYS 615 CO -0.49 0.00 -0.76 -0.06 -1.08 0.00 0.00 179.45 177.06 3h3y s PHE 616 N -3.44 2.81 -1.38 -1.35 0.40 -0.15 -0.62 117.98 114.26 3h3y s PHE 616 Ca 0.04 -0.64 -0.08 0.00 -0.60 0.00 0.00 56.93 55.65 3h3y s PHE 616 Cb 0.09 -1.84 0.09 0.00 0.51 0.00 0.00 43.02 41.86 3h3y s PHE 616 CO 0.51 -0.21 2.33 0.39 0.70 0.00 0.00 175.22 178.95 3h3y n GLU 617 N 3.52 4.00 -3.91 0.44 1.02 -0.96 -4.83 120.64 119.92 3h3y n GLU 617 Ca -0.18 -3.17 -0.11 0.00 -0.02 0.00 0.00 57.16 53.68 3h3y n GLU 617 Cb 0.53 -2.81 -0.00 0.00 -0.02 0.00 0.00 31.44 29.14 3h3y n GLU 617 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3h3y s VAL 618 N 0.29 0.00 0.00 2.62 -7.23 -1.26 -4.56 120.40 110.26 3h3y s VAL 618 Ca 0.52 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 3h3y s VAL 618 Cb 0.15 -2.78 0.00 0.00 0.56 0.00 0.00 36.38 34.32 3h3y s VAL 618 CO -0.06 0.00 0.00 1.67 -0.31 0.00 0.00 175.10 176.40 3h3y n GLN 619 N -0.54 2.42 -4.12 4.82 0.00 -1.26 -5.00 117.38 113.71 3h3y n GLN 619 Ca -0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 57.00 56.81 3h3y n GLN 619 Cb 0.60 -0.20 -0.12 0.00 0.00 0.00 0.00 30.24 30.52 3h3y n GLN 619 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 3h3y s THR 620 N 0.00 0.57 0.27 1.69 -1.32 -1.26 -3.33 115.64 112.26 3h3y s THR 620 Ca 0.00 -0.85 0.05 0.00 -1.21 0.00 0.00 61.69 59.67 3h3y s THR 620 Cb 0.00 -0.59 -0.02 0.00 -1.51 0.00 0.00 72.50 70.38 3h3y s THR 620 CO 0.00 -0.21 0.27 2.30 -2.21 0.00 0.00 174.62 174.76 3h3y n ILE 621 N 1.89 0.00 -4.14 5.08 -5.35 -1.02 -4.89 119.36 110.93 3h3y n ILE 621 Ca -0.20 -1.88 -0.20 0.00 -0.27 0.00 0.00 62.75 60.21 3h3y n ILE 621 Cb 0.56 0.98 -0.16 0.00 -1.74 0.00 0.00 39.64 39.27 3h3y n ILE 621 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3h3y s GLU 622 N -3.01 0.79 -0.20 6.28 2.02 -1.26 -0.57 118.70 122.74 3h3y s GLU 622 Ca 0.31 -0.09 -0.06 0.00 0.02 0.00 0.00 54.97 55.15 3h3y s GLU 622 Cb 0.01 -0.81 -0.03 0.00 0.10 0.00 0.00 34.13 33.40 3h3y s GLU 622 CO 0.22 -0.09 0.03 -1.17 0.02 0.00 0.00 175.26 174.27 3h3y s LEU 623 N 0.93 3.45 0.47 1.80 2.96 -0.41 -2.10 118.68 125.77 3h3y s LEU 623 Ca -0.11 -0.11 0.07 0.00 -0.22 0.00 0.00 54.13 53.75 3h3y s LEU 623 Cb -0.14 -1.88 -0.00 0.00 0.50 0.00 0.00 46.19 44.67 3h3y s LEU 623 CO -0.00 0.09 0.35 -0.31 -1.32 0.00 0.00 176.35 175.16 3h3y s TYR 624 N 0.86 2.23 0.00 5.38 1.51 -0.23 -1.59 117.35 125.51 3h3y s TYR 624 Ca 0.02 -0.66 0.00 0.00 -1.01 0.00 0.00 57.07 55.42 3h3y s TYR 624 Cb -0.14 -2.02 0.00 0.00 -0.11 0.00 0.00 41.96 39.69 3h3y s TYR 624 CO 0.02 -0.21 0.00 -1.13 -1.11 0.00 0.00 175.55 173.12 3h3y n SER 625 N -1.57 0.00 -4.70 2.29 3.41 -1.00 -1.71 113.62 110.34 3h3y n SER 625 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.19 3h3y n SER 625 Cb 0.63 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.56 3h3y n SER 625 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3h3y s ASP 626 N 0.00 7.31 0.98 4.04 1.01 -1.26 -0.48 116.67 128.27 3h3y s ASP 626 Ca 0.00 1.60 -0.11 0.00 0.71 0.00 0.00 52.55 54.75 3h3y s ASP 626 Cb 0.00 -2.56 0.18 0.00 1.01 0.00 0.00 42.92 41.55 3h3y s ASP 626 CO 0.00 -0.34 1.11 -2.84 0.21 0.00 0.00 175.17 173.31 3h3y s PRO 627 N 1.44 0.50 -0.04 8.23 0.02 -1.26 -1.97 135.00 141.92 3h3y s PRO 627 Ca 0.50 1.29 -0.16 0.00 0.02 0.00 0.00 61.00 62.65 3h3y s PRO 627 Cb -0.20 -1.69 -0.32 0.00 0.02 0.00 0.00 34.50 32.32 3h3y s PRO 627 CO 0.24 -2.90 0.79 1.15 -0.33 0.00 0.00 177.00 175.95 3h3y h THR 628 N -2.05 1.18 -6.13 0.99 2.02 -0.35 -3.41 112.91 105.16 3h3y h THR 628 Ca -0.49 -2.55 -0.56 0.00 0.77 0.00 0.00 66.41 63.58 3h3y h THR 628 Cb 1.29 2.94 -0.03 0.00 -1.74 0.00 0.00 68.15 70.61 3h3y h THR 628 CO 0.45 0.78 -0.22 0.47 0.37 0.00 0.00 175.52 177.37 3h3y n ASP 629 N -3.82 2.62 -0.82 4.18 8.00 -1.26 -5.02 116.55 120.43 3h3y n ASP 629 Ca -0.20 -2.84 0.08 0.00 0.71 0.00 0.00 54.79 52.54 3h3y n ASP 629 Cb 0.99 -0.16 0.23 0.00 -0.02 0.00 0.00 41.12 42.16 3h3y n ASP 629 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3h3y n ASP 630 N -1.97 3.58 -3.88 -2.24 8.00 -1.26 -4.84 116.55 113.94 3h3y n ASP 630 Ca 0.04 -2.67 -0.28 0.00 0.71 0.00 0.00 54.79 52.58 3h3y n ASP 630 Cb 0.64 -0.44 -0.16 0.00 -0.02 0.00 0.00 41.12 41.13 3h3y n ASP 630 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3h3y s VAL 631 N -2.21 1.11 0.12 2.53 1.01 -1.26 -1.77 120.40 119.93 3h3y s VAL 631 Ca 0.36 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.72 3h3y s VAL 631 Cb 0.27 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 3h3y s VAL 631 CO 0.11 0.05 -0.20 0.27 0.00 0.00 0.00 175.10 175.34 3h3y s ILE 632 N 1.62 2.73 0.18 2.22 -4.36 0.09 -5.01 121.20 118.68 3h3y s ILE 632 Ca -0.01 -1.56 0.10 0.00 -0.26 0.00 0.00 60.65 58.93 3h3y s ILE 632 Cb -0.16 -2.25 -0.04 0.00 1.25 0.00 0.00 42.46 41.26 3h3y s ILE 632 CO -0.07 0.09 -0.22 -0.36 0.24 0.00 0.00 174.94 174.62 3h3y s PHE 633 N -1.14 2.11 0.34 1.37 0.40 -1.26 -2.00 117.98 117.80 3h3y s PHE 633 Ca 0.17 -0.40 0.09 0.00 -0.60 0.00 0.00 56.93 56.19 3h3y s PHE 633 Cb -0.10 -1.05 -0.05 0.00 0.51 0.00 0.00 43.02 42.32 3h3y s PHE 633 CO 0.09 0.43 0.02 0.95 0.70 0.00 0.00 175.22 177.41 3h3y s THR 634 N -1.78 2.67 0.00 0.64 -4.23 -1.26 -4.74 115.64 106.95 3h3y s THR 634 Ca 0.18 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 3h3y s THR 634 Cb -0.07 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 70.96 3h3y s THR 634 CO 0.08 -0.20 0.00 -1.14 -0.54 0.00 0.00 174.62 172.82 3h3y n ARG 635 N -0.96 0.00 -1.52 3.99 0.63 -1.26 -4.61 116.66 112.92 3h3y n ARG 635 Ca -0.04 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.48 3h3y n ARG 635 Cb 0.62 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.47 3h3y n ARG 635 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3h3y n ASP 636 N 0.00 1.89 0.00 6.15 10.43 -1.26 -1.13 116.55 132.63 3h3y n ASP 636 Ca 0.00 -0.13 0.00 0.00 2.57 0.00 0.00 54.79 57.23 3h3y n ASP 636 Cb 0.00 -1.37 0.00 0.00 1.84 0.00 0.00 41.12 41.59 3h3y n ASP 636 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3h3y n GLY 637 N 6.21 0.58 3.82 0.44 0.00 -1.26 -4.96 105.19 110.01 3h3y n GLY 637 Ca 0.44 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.09 3h3y n GLY 637 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h3y s SER 638 N -2.50 7.02 -0.03 1.61 0.01 -0.29 -0.84 113.70 118.69 3h3y s SER 638 Ca 0.00 1.28 -0.01 0.00 1.31 0.00 0.00 55.95 58.53 3h3y s SER 638 Cb 0.00 -2.37 0.02 0.00 0.21 0.00 0.00 66.02 63.89 3h3y s SER 638 CO 0.00 0.15 0.06 -0.22 0.41 0.00 0.00 173.24 173.64 3h3y s LEU 639 N -1.61 1.30 -0.09 2.44 2.96 -0.67 -4.29 118.68 118.72 3h3y s LEU 639 Ca 0.36 0.12 -0.14 0.00 -0.22 0.00 0.00 54.13 54.26 3h3y s LEU 639 Cb -0.18 0.12 -0.05 0.00 0.50 0.00 0.00 46.19 46.59 3h3y s LEU 639 CO 0.20 -0.09 0.33 -0.63 -1.32 0.00 0.00 176.35 174.85 3h3y s ILE 640 N 0.66 5.22 -0.17 6.68 1.01 -1.26 -0.85 121.20 132.48 3h3y s ILE 640 Ca -0.05 0.65 -0.18 0.00 0.00 0.00 0.00 60.65 61.06 3h3y s ILE 640 Cb -0.07 -3.65 0.05 0.00 0.01 0.00 0.00 42.46 38.80 3h3y s ILE 640 CO -0.02 0.49 0.51 0.54 0.00 0.00 0.00 174.94 176.46 3h3y s VAL 641 N -0.33 0.00 -0.41 2.92 0.11 -1.18 -4.05 120.40 117.47 3h3y s VAL 641 Ca 0.20 -0.03 -0.07 0.00 -2.93 0.00 0.00 61.98 59.15 3h3y s VAL 641 Cb -0.14 -0.73 0.09 0.00 -1.53 0.00 0.00 36.38 34.07 3h3y s VAL 641 CO 0.08 -0.02 0.22 0.12 -3.33 0.00 0.00 175.10 172.18 3h3y s PHE 642 N 0.08 3.41 -0.64 1.54 2.19 -1.26 -4.67 117.98 118.62 3h3y s PHE 642 Ca -0.02 -1.84 0.06 0.00 0.33 0.00 0.00 56.93 55.46 3h3y s PHE 642 Cb -0.03 -2.99 0.22 0.00 -1.31 0.00 0.00 43.02 38.91 3h3y s PHE 642 CO 0.01 -0.89 0.65 0.39 1.83 0.00 0.00 175.22 177.22 3h3y n GLU 643 N 4.80 2.18 0.10 10.12 -0.58 -1.26 -4.96 120.64 131.03 3h3y n GLU 643 Ca -0.08 -4.52 -0.04 0.00 -0.42 0.00 0.00 57.16 52.11 3h3y n GLU 643 Cb 0.42 -2.20 -0.00 0.00 -0.57 0.00 0.00 31.44 29.09 3h3y n GLU 643 CO 0.00 0.00 0.00 -0.97 -0.48 0.00 0.00 177.13 175.68 3h3y h ASN 644 N 4.56 0.00 0.00 1.62 -1.24 -1.95 0.57 115.58 119.14 3h3y h ASN 644 Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.19 3h3y h ASN 644 Cb 0.70 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.75 3h3y h ASN 644 CO 0.77 0.80 0.00 -0.90 -1.29 0.00 0.00 177.43 176.81 3h3y n ASP 645 N -3.45 0.00 0.00 1.15 5.68 -1.26 -2.58 116.55 116.09 3h3y n ASP 645 Ca 0.00 -0.79 0.00 0.00 -0.50 0.00 0.00 54.79 53.50 3h3y n ASP 645 Cb 0.81 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.79 3h3y n ASP 645 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 3h3y n LEU 646 N -0.73 0.00 -3.20 -2.12 0.00 -0.69 -4.85 117.00 105.42 3h3y n LEU 646 Ca 0.06 -0.01 -0.23 0.00 0.00 0.00 0.00 56.01 55.82 3h3y n LEU 646 Cb 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.39 3h3y n LEU 646 CO 0.04 0.00 -0.12 -1.14 0.00 0.00 0.00 177.39 176.17 3h3y n ARG 647 N -0.08 1.59 0.18 1.96 3.00 0.19 -4.94 116.66 118.57 3h3y n ARG 647 Ca 0.00 -3.85 0.12 0.00 -0.00 0.00 0.00 57.85 54.13 3h3y n ARG 647 Cb 0.00 -1.74 0.26 0.00 0.00 0.00 0.00 32.46 30.98 3h3y n ARG 647 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 3h3y h PRO 648 N 3.58 0.00 0.00 -0.14 0.14 -1.74 -2.69 132.00 131.15 3h3y h PRO 648 Ca 0.12 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.26 3h3y h PRO 648 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.93 3h3y h PRO 648 CO 0.61 0.00 0.00 0.00 0.14 0.00 0.00 178.00 178.75 3h3y n GLN 649 N -2.82 0.02 -0.33 0.86 10.64 -1.26 -2.59 117.38 121.91 3h3y n GLN 649 Ca 0.04 0.40 0.08 0.00 -1.83 0.00 0.00 57.00 55.69 3h3y n GLN 649 Cb 0.49 -1.56 0.24 0.00 -0.86 0.00 0.00 30.24 28.55 3h3y n GLN 649 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3h3y n TYR 650 N -1.60 0.81 -4.01 2.61 0.53 -1.01 -4.86 117.16 109.62 3h3y n TYR 650 Ca 0.02 -0.58 -0.15 0.00 -1.02 0.00 0.00 57.90 56.17 3h3y n TYR 650 Cb 0.09 -0.10 -0.15 0.00 -1.03 0.00 0.00 39.34 38.15 3h3y n TYR 650 CO 0.00 0.00 0.00 -1.17 -1.02 0.00 0.00 176.86 174.67 3h3y s LEU 651 N -1.42 1.72 -0.01 7.72 0.20 -1.07 0.38 118.68 126.20 3h3y s LEU 651 Ca 0.35 -0.05 0.01 0.00 0.69 0.00 0.00 54.13 55.14 3h3y s LEU 651 Cb 0.21 -0.19 0.01 0.00 -0.43 0.00 0.00 46.19 45.79 3h3y s LEU 651 CO 0.19 -0.01 -0.04 0.42 -0.29 0.00 0.00 176.35 176.62 3h3y s THR 652 N 0.30 0.40 -0.17 3.68 -4.23 -0.85 -4.97 115.64 109.80 3h3y s THR 652 Ca -0.03 -0.16 -0.01 0.00 -1.18 0.00 0.00 61.69 60.31 3h3y s THR 652 Cb -0.06 -0.38 -0.00 0.00 1.34 0.00 0.00 72.50 73.40 3h3y s THR 652 CO -0.01 0.14 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.46 3h3y s ILE 653 N 0.22 2.88 -0.21 2.99 1.01 -1.26 -0.68 121.20 126.15 3h3y s ILE 653 Ca -0.02 -0.68 -0.05 0.00 0.00 0.00 0.00 60.65 59.89 3h3y s ILE 653 Cb -0.06 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 3h3y s ILE 653 CO -0.00 0.49 0.01 -1.81 0.00 0.00 0.00 174.94 173.63 3h3y s ASP 654 N 0.98 4.85 0.28 3.58 1.01 -0.63 -5.00 116.67 121.74 3h3y s ASP 654 Ca -0.02 -0.22 0.01 0.00 0.71 0.00 0.00 52.55 53.03 3h3y s ASP 654 Cb -0.15 -1.84 -0.03 0.00 1.01 0.00 0.00 42.92 41.91 3h3y s ASP 654 CO -0.02 0.03 0.46 -0.76 0.21 0.00 0.00 175.17 175.10 3h3y s LEU 655 N 1.20 4.14 -0.21 1.23 1.02 -1.26 -0.73 118.68 124.07 3h3y s LEU 655 Ca 0.03 0.35 -0.04 0.00 0.02 0.00 0.00 54.13 54.49 3h3y s LEU 655 Cb -0.15 -3.17 0.07 0.00 0.02 0.00 0.00 46.19 42.97 3h3y s LEU 655 CO 0.02 -0.17 0.09 -0.70 0.02 0.00 0.00 176.35 175.61 3h3y s GLU 656 N -3.97 0.21 0.02 1.70 2.12 -0.57 -4.92 118.70 113.29 3h3y s GLU 656 Ca 0.38 -0.30 -0.30 0.00 0.36 0.00 0.00 54.97 55.12 3h3y s GLU 656 Cb -0.10 -1.68 -0.04 0.00 0.26 0.00 0.00 34.13 32.57 3h3y s GLU 656 CO 0.32 -0.78 0.96 -2.14 -0.54 0.00 0.00 175.26 173.08 3h3y s PRO 657 N 2.07 4.58 0.13 4.30 0.02 -1.26 -0.46 135.00 144.38 3h3y s PRO 657 Ca 0.04 1.39 0.11 0.00 0.02 0.00 0.00 61.00 62.56 3h3y s PRO 657 Cb -0.16 -3.44 -0.04 0.00 0.02 0.00 0.00 34.50 30.88 3h3y s PRO 657 CO -0.18 0.01 -0.26 0.42 -0.33 0.00 0.00 177.00 176.67 3h3y s ILE 658 N 0.78 2.32 0.00 2.83 1.09 0.78 -4.87 121.20 124.13 3h3y s ILE 658 Ca 0.50 -1.72 0.00 0.00 -1.10 0.00 0.00 60.65 58.33 3h3y s ILE 658 Cb -0.21 -2.03 0.00 0.00 -1.06 0.00 0.00 42.46 39.16 3h3y s ILE 658 CO 0.28 0.10 0.00 -0.24 -0.10 0.00 0.00 174.94 174.98 3h3y n SER 659 N 0.92 0.00 0.00 3.58 2.88 -1.26 0.34 113.62 120.08 3h3y n SER 659 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 3h3y n SER 659 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 3h3y n SER 659 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h3y n GLN 660 N -0.47 0.00 0.00 -1.46 3.00 -1.26 -4.96 117.38 112.23 3h3y n GLN 660 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3h3y n GLN 660 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3h3y n GLN 660 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3h3y n LEU 661 N 0.00 0.00 -0.81 1.08 -0.00 -1.26 -5.07 117.00 110.94 3h3y n LEU 661 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3h3y n LEU 661 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3h3y n LEU 661 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.39 178.60 3h3y n GLU 662 N 0.00 0.00 0.00 1.96 2.13 -1.26 -4.36 120.64 119.11 3h3y n GLU 662 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3h3y n GLU 662 Cb 0.00 -0.24 0.00 0.00 0.27 0.00 0.00 31.44 31.47 3h3y n GLU 662 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 3h3y n HIS 663 N 0.29 0.00 -2.75 4.31 -0.00 -1.26 -4.99 115.22 110.82 3h3y n HIS 663 Ca 0.00 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.14 3h3y n HIS 663 Cb 0.00 0.00 0.05 0.00 -0.12 0.00 0.00 29.99 29.92 3h3y n HIS 663 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 3h3y n HIS 664 N 0.00 0.95 0.00 1.57 1.44 -1.26 -4.97 115.22 112.95 3h3y n HIS 664 Ca 0.00 -2.42 0.00 0.00 -2.01 0.00 0.00 57.72 53.29 3h3y n HIS 664 Cb 0.00 -0.17 0.00 0.00 0.12 0.00 0.00 29.99 29.94 3h3y n HIS 664 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11