#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f1j n TYR 358 N 0.00 0.12 -4.18 4.78 4.01 -1.26 -5.01 117.16 115.63 1f1j n TYR 358 Ca 0.00 -0.20 -0.24 0.00 -0.16 0.00 0.00 57.90 57.31 1f1j n TYR 358 Cb 0.00 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 38.96 1f1j n TYR 358 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1f1j s GLN 359 N -0.78 2.64 0.11 -0.72 1.11 -1.26 0.59 119.66 121.34 1f1j s GLN 359 Ca 0.12 -1.13 -0.30 0.00 0.01 0.00 0.00 55.36 54.05 1f1j s GLN 359 Cb 0.07 -2.43 -0.06 0.00 -1.01 0.00 0.00 33.01 29.59 1f1j s GLN 359 CO 0.10 0.42 0.97 0.71 0.01 0.00 0.00 175.29 177.49 1f1j s TYR 360 N -2.04 3.80 -0.36 0.91 2.02 0.91 -4.75 117.35 117.85 1f1j s TYR 360 Ca 0.31 1.79 -0.28 0.00 -0.37 0.00 0.00 57.07 58.52 1f1j s TYR 360 Cb -0.08 -3.06 -0.03 0.00 -0.40 0.00 0.00 41.96 38.39 1f1j s TYR 360 CO 0.22 0.18 1.92 1.21 -1.57 0.00 0.00 175.55 177.51 1f1j s ASN 361 N 0.05 5.64 -0.03 2.29 2.47 -1.26 -4.77 114.94 119.33 1f1j s ASN 361 Ca 0.47 1.27 0.17 0.00 0.42 0.00 0.00 52.86 55.19 1f1j s ASN 361 Cb -0.23 -2.52 0.54 0.00 -1.45 0.00 0.00 41.25 37.59 1f1j s ASN 361 CO 0.30 -1.92 1.44 0.23 -3.72 0.00 0.00 177.10 173.44 1f1j n MET 362 N 8.62 2.63 -2.32 0.43 2.81 -1.26 -4.73 117.12 123.30 1f1j n MET 362 Ca 0.25 -2.19 -0.43 0.00 -1.81 0.00 0.00 57.70 53.52 1f1j n MET 362 Cb 0.48 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 1f1j n MET 362 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1f1j n ASN 363 N 1.12 4.81 -4.31 7.83 5.15 -1.26 -4.90 115.26 123.70 1f1j n ASN 363 Ca 0.20 -3.01 -0.16 0.00 -0.60 0.00 0.00 54.58 51.01 1f1j n ASN 363 Cb 0.57 -1.56 -0.10 0.00 -0.53 0.00 0.00 39.78 38.16 1f1j n ASN 363 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1f1j s PHE 364 N 1.56 1.50 0.22 1.20 0.40 -1.26 -5.04 117.98 116.56 1f1j s PHE 364 Ca 0.43 -0.90 -0.07 0.00 -0.60 0.00 0.00 56.93 55.78 1f1j s PHE 364 Cb 0.08 -0.85 0.34 0.00 0.51 0.00 0.00 43.02 43.10 1f1j s PHE 364 CO -0.01 -0.03 1.75 1.49 0.70 0.00 0.00 175.22 179.11 1f1j h GLU 365 N 2.53 0.44 -4.12 0.44 4.81 -1.81 -3.44 114.58 113.44 1f1j h GLU 365 Ca -0.38 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 58.69 1f1j h GLU 365 Cb 1.22 -0.10 -0.17 0.00 0.63 0.00 0.00 28.75 30.33 1f1j h GLU 365 CO 0.64 0.29 -0.65 -1.59 -0.73 0.00 0.00 179.01 176.97 1f1j s LYS 366 N -6.07 0.55 0.09 1.92 -2.85 -0.51 -5.05 119.74 107.83 1f1j s LYS 366 Ca -0.13 -1.03 -0.22 0.00 -1.00 0.00 0.00 55.97 53.60 1f1j s LYS 366 Cb 0.18 0.20 -0.12 0.00 -2.06 0.00 0.00 37.83 36.03 1f1j s LYS 366 CO 0.75 -0.11 1.68 1.25 0.10 0.00 0.00 175.35 179.03 1f1j h LEU 367 N 3.51 0.12 0.00 2.77 5.85 -1.85 -1.11 115.31 124.60 1f1j h LEU 367 Ca -0.33 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1f1j h LEU 367 Cb 1.16 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1f1j h LEU 367 CO 0.58 0.16 0.00 0.61 -0.34 0.00 0.00 178.44 179.46 1f1j n GLY 368 N -0.91 1.96 3.79 3.75 0.00 -1.26 -0.92 105.19 111.61 1f1j n GLY 368 Ca -0.05 -1.80 -0.34 0.00 0.00 0.00 0.00 46.02 43.82 1f1j n GLY 368 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1f1j s LYS 369 N -1.51 3.80 -0.39 1.61 2.47 -1.26 -0.99 119.74 123.47 1f1j s LYS 369 Ca 0.00 1.41 0.03 0.00 -1.56 0.00 0.00 55.97 55.85 1f1j s LYS 369 Cb 0.00 -2.14 0.16 0.00 -1.46 0.00 0.00 37.83 34.39 1f1j s LYS 369 CO 0.00 -0.44 0.35 0.00 0.16 0.00 0.00 175.35 175.42 1f1j s ILE 371 N 0.85 4.11 -0.18 0.00 1.01 -0.86 -2.76 121.20 123.38 1f1j s ILE 371 Ca 0.23 1.78 0.01 0.00 0.00 0.00 0.00 60.65 62.67 1f1j s ILE 371 Cb -0.10 -4.14 0.03 0.00 0.01 0.00 0.00 42.46 38.26 1f1j s ILE 371 CO -0.07 0.29 -0.14 -0.63 0.00 0.00 0.00 174.94 174.39 1f1j s ILE 372 N -0.09 1.72 -0.37 2.92 1.01 -0.24 -0.93 121.20 125.21 1f1j s ILE 372 Ca 0.49 -0.86 -0.14 0.00 0.00 0.00 0.00 60.65 60.14 1f1j s ILE 372 Cb -0.27 -1.66 -0.00 0.00 0.01 0.00 0.00 42.46 40.53 1f1j s ILE 372 CO 0.33 0.36 0.27 -0.63 0.00 0.00 0.00 174.94 175.26 1f1j s ILE 373 N 1.40 5.27 -0.48 2.92 1.01 -0.00 -0.29 121.20 131.03 1f1j s ILE 373 Ca 0.02 -0.40 -0.08 0.00 0.00 0.00 0.00 60.65 60.19 1f1j s ILE 373 Cb -0.14 -3.81 0.12 0.00 0.01 0.00 0.00 42.46 38.65 1f1j s ILE 373 CO -0.10 -0.14 0.34 0.21 0.00 0.00 0.00 174.94 175.25 1f1j s ASN 374 N 1.70 5.63 -0.33 3.58 2.47 0.23 -1.65 114.94 126.57 1f1j s ASN 374 Ca 0.06 -2.02 -0.11 0.00 0.42 0.00 0.00 52.86 51.21 1f1j s ASN 374 Cb -0.18 -1.97 -0.01 0.00 -1.45 0.00 0.00 41.25 37.64 1f1j s ASN 374 CO 0.10 -0.64 0.19 0.20 -3.72 0.00 0.00 177.10 173.23 1f1j s ASN 375 N 2.39 5.76 -0.04 -4.21 0.01 -0.75 -0.89 114.94 117.20 1f1j s ASN 375 Ca 0.07 -0.53 0.02 0.00 -0.71 0.00 0.00 52.86 51.71 1f1j s ASN 375 Cb -0.25 -2.06 -0.04 0.00 0.41 0.00 0.00 41.25 39.32 1f1j s ASN 375 CO -0.02 -0.23 -0.01 1.17 -1.51 0.00 0.00 177.10 176.50 1f1j n LYS 376 N 5.03 1.89 -4.74 -0.60 4.81 -1.26 -4.51 118.16 118.78 1f1j n LYS 376 Ca -0.13 0.01 -0.33 0.00 -0.87 0.00 0.00 58.31 56.99 1f1j n LYS 376 Cb 0.49 -1.09 -0.14 0.00 0.02 0.00 0.00 35.03 34.31 1f1j n LYS 376 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1f1j s ASN 377 N -3.89 4.05 0.16 3.14 0.01 -1.26 -0.84 114.94 116.31 1f1j s ASN 377 Ca -0.04 -0.32 0.09 0.00 -0.71 0.00 0.00 52.86 51.89 1f1j s ASN 377 Cb 0.01 -1.62 -0.04 0.00 0.41 0.00 0.00 41.25 40.01 1f1j s ASN 377 CO 0.12 0.16 -0.21 -0.36 -1.51 0.00 0.00 177.10 175.31 1f1j s PHE 378 N 0.37 1.97 0.48 2.20 0.40 -1.26 -4.66 117.98 117.48 1f1j s PHE 378 Ca -0.10 -0.43 -0.23 0.00 -0.60 0.00 0.00 56.93 55.57 1f1j s PHE 378 Cb -0.16 -1.00 -0.07 0.00 0.51 0.00 0.00 43.02 42.31 1f1j s PHE 378 CO 0.05 0.36 1.29 -0.51 0.70 0.00 0.00 175.22 177.12 1f1j s ASP 379 N -2.54 5.85 0.19 1.36 1.01 -0.34 -4.91 116.67 117.29 1f1j s ASP 379 Ca 0.16 2.62 -0.14 0.00 0.71 0.00 0.00 52.55 55.90 1f1j s ASP 379 Cb -0.07 -2.63 0.21 0.00 1.01 0.00 0.00 42.92 41.44 1f1j s ASP 379 CO 0.07 -1.16 1.66 0.50 0.21 0.00 0.00 175.17 176.45 1f1j h LYS 380 N 2.02 0.06 0.00 8.23 3.64 -1.90 -2.48 116.57 126.16 1f1j h LYS 380 Ca -0.50 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1f1j h LYS 380 Cb 1.27 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1f1j h LYS 380 CO 0.60 0.04 0.11 1.33 -2.27 0.00 0.00 179.45 179.26 1f1j n VAL 381 N -5.30 1.32 0.43 2.00 0.24 -1.26 -0.41 118.33 115.35 1f1j n VAL 381 Ca 0.06 0.59 0.12 0.00 -2.04 0.00 0.00 64.34 63.08 1f1j n VAL 381 Cb 0.29 -1.59 0.23 0.00 -1.47 0.00 0.00 33.84 31.30 1f1j n VAL 381 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1f1j h THR 382 N 0.00 0.00 0.00 3.34 1.35 -1.78 -3.46 112.91 112.36 1f1j h THR 382 Ca 0.00 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 1f1j h THR 382 Cb 0.23 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1f1j h THR 382 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1f1j n GLY 383 N 1.24 0.71 3.85 5.82 0.00 0.46 -5.01 105.19 112.26 1f1j n GLY 383 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1f1j n GLY 383 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1f1j s MET 384 N -0.06 3.86 0.42 1.61 -1.94 -1.26 -5.10 119.30 116.84 1f1j s MET 384 Ca 0.00 0.32 0.08 0.00 -1.71 0.00 0.00 55.69 54.38 1f1j s MET 384 Cb 0.00 -3.05 -0.01 0.00 2.01 0.00 0.00 34.83 33.78 1f1j s MET 384 CO 0.00 0.58 0.41 0.20 -0.01 0.00 0.00 175.02 176.20 1f1j s GLY 385 N -1.55 2.12 0.25 -0.03 0.00 -1.26 -4.69 107.32 102.15 1f1j s GLY 385 Ca 0.31 -1.85 -0.31 0.00 0.00 0.00 0.00 44.72 42.87 1f1j s GLY 385 CO 0.17 -1.68 1.64 -0.62 0.00 0.00 0.00 173.10 172.61 1f1j n VAL 386 N -1.60 0.56 -2.99 1.40 0.31 -1.26 -4.71 118.33 110.04 1f1j n VAL 386 Ca 0.04 -0.14 -0.44 0.00 -0.01 0.00 0.00 64.34 63.79 1f1j n VAL 386 Cb 0.61 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 1f1j n VAL 386 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1f1j n ARG 387 N 2.93 3.46 -1.76 5.55 1.74 -0.02 -5.01 116.66 123.55 1f1j n ARG 387 Ca 0.12 -3.98 -0.41 0.00 -0.77 0.00 0.00 57.85 52.80 1f1j n ARG 387 Cb 0.35 -2.90 -0.01 0.00 -1.02 0.00 0.00 32.46 28.88 1f1j n ARG 387 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1f1j n ASN 388 N 4.70 3.89 0.00 0.55 3.02 -1.26 -2.01 115.26 124.15 1f1j n ASN 388 Ca 0.34 1.18 0.00 0.00 -0.03 0.00 0.00 54.58 56.06 1f1j n ASN 388 Cb 0.41 -1.61 0.00 0.00 -0.61 0.00 0.00 39.78 37.97 1f1j n ASN 388 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f1j n GLY 389 N 1.55 0.57 0.26 7.41 0.00 -1.13 -4.01 105.19 109.85 1f1j n GLY 389 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1f1j n GLY 389 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f1j h THR 390 N 0.00 1.28 -0.91 2.61 1.03 -1.72 -2.92 112.91 112.27 1f1j h THR 390 Ca 0.00 -1.51 0.03 0.00 -0.01 0.00 0.00 66.41 64.92 1f1j h THR 390 Cb 0.00 1.35 -0.05 0.00 -1.07 0.00 0.00 68.15 68.37 1f1j h THR 390 CO 0.00 0.50 0.59 0.44 -0.01 0.00 0.00 175.52 177.04 1f1j h ASP 391 N 0.72 0.99 -0.96 0.00 3.32 -1.93 0.50 116.42 119.05 1f1j h ASP 391 Ca 0.07 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.15 1f1j h ASP 391 Cb 0.91 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 40.18 1f1j h ASP 391 CO 0.08 0.68 0.62 0.11 -1.72 0.00 0.00 179.24 179.02 1f1j h LYS 392 N 1.15 1.17 -0.12 3.56 1.57 -1.91 -0.89 116.57 121.10 1f1j h LYS 392 Ca 0.36 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 1f1j h LYS 392 Cb -0.00 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1f1j h LYS 392 CO -0.12 0.77 0.04 -0.44 -0.57 0.00 0.00 179.45 179.14 1f1j h ASP 393 N 1.20 0.17 -0.76 0.86 3.32 -0.87 -0.78 116.42 119.57 1f1j h ASP 393 Ca 0.38 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.25 1f1j h ASP 393 Cb 0.01 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 1f1j h ASP 393 CO -0.13 0.31 0.51 0.00 -1.72 0.00 0.00 179.24 178.21 1f1j h ALA 394 N 0.86 1.47 0.24 3.45 0.00 -0.52 0.28 119.26 125.04 1f1j h ALA 394 Ca 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1f1j h ALA 394 Cb 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1f1j h ALA 394 CO -0.00 0.49 -0.12 1.49 0.00 0.00 0.00 179.25 181.11 1f1j h GLU 395 N 1.02 -0.31 -0.75 0.00 4.81 -1.03 -0.43 114.58 117.89 1f1j h GLU 395 Ca 0.28 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.63 1f1j h GLU 395 Cb -0.10 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.28 1f1j h GLU 395 CO -0.06 0.05 0.39 0.00 -0.73 0.00 0.00 179.01 178.66 1f1j h ALA 396 N -0.24 1.04 -0.15 2.92 0.00 -0.97 0.09 119.26 121.96 1f1j h ALA 396 Ca -0.03 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1f1j h ALA 396 Cb 0.51 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1f1j h ALA 396 CO 0.05 -0.00 -0.05 -0.07 0.00 0.00 0.00 179.25 179.18 1f1j h LEU 397 N 0.66 0.31 0.22 0.00 3.38 -0.95 -0.34 115.31 118.59 1f1j h LEU 397 Ca 0.37 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1f1j h LEU 397 Cb 0.37 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1f1j h LEU 397 CO -0.26 0.62 -0.27 0.15 0.09 0.00 0.00 178.44 178.77 1f1j h PHE 398 N -0.01 -0.72 0.10 1.13 3.57 -0.60 0.31 116.94 120.72 1f1j h PHE 398 Ca 0.04 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1f1j h PHE 398 Cb 0.49 0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 1f1j h PHE 398 CO 0.06 -0.39 -0.31 0.87 -2.23 0.00 0.00 178.31 176.31 1f1j h LYS 399 N -0.54 -0.50 -0.77 1.11 1.57 -1.01 -0.72 116.57 115.71 1f1j h LYS 399 Ca 0.00 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.94 1f1j h LYS 399 Cb 0.52 0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.86 1f1j h LYS 399 CO -0.09 -0.34 0.36 0.00 -0.57 0.00 0.00 179.45 178.82 1f1j h PHE 401 N 0.56 0.00 -0.11 0.00 -1.00 -0.16 -2.99 116.94 113.24 1f1j h PHE 401 Ca 0.40 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 61.13 1f1j h PHE 401 Cb 0.54 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.09 1f1j h PHE 401 CO -0.12 0.33 -0.14 -0.09 -1.61 0.00 0.00 178.31 176.69 1f1j h ARG 402 N 0.00 0.29 -0.54 1.51 2.43 -0.32 -2.03 114.38 115.72 1f1j h ARG 402 Ca -0.00 -0.16 0.11 0.00 -0.81 0.00 0.00 59.98 59.12 1f1j h ARG 402 Cb 1.24 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 1f1j h ARG 402 CO 0.04 0.72 0.37 0.77 -1.51 0.00 0.00 179.97 180.36 1f1j h SER 403 N -0.13 0.22 0.64 -3.80 0.02 -1.25 0.12 113.55 109.38 1f1j h SER 403 Ca 0.01 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.88 1f1j h SER 403 Cb 0.68 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1f1j h SER 403 CO 0.03 0.13 -0.45 -0.07 -1.14 0.00 0.00 176.83 175.32 1f1j h LEU 404 N 0.24 0.00 0.00 5.07 3.38 -1.36 -3.47 115.31 119.17 1f1j h LEU 404 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1f1j h LEU 404 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1f1j h LEU 404 CO -0.05 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.54 1f1j n GLY 405 N 0.05 1.55 3.89 0.83 0.00 0.42 -4.99 105.19 106.94 1f1j n GLY 405 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1f1j n GLY 405 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1f1j s PHE 406 N -2.00 3.47 -0.89 1.61 0.08 -0.78 -4.00 117.98 115.47 1f1j s PHE 406 Ca 0.00 0.88 -0.18 0.00 0.12 0.00 0.00 56.93 57.75 1f1j s PHE 406 Cb 0.00 -2.30 0.15 0.00 -0.57 0.00 0.00 43.02 40.30 1f1j s PHE 406 CO 0.00 0.01 1.02 -0.51 -0.10 0.00 0.00 175.22 175.64 1f1j s ASP 407 N -3.14 6.63 0.01 1.36 1.01 -0.16 -4.43 116.67 117.97 1f1j s ASP 407 Ca 0.48 -2.16 -0.28 0.00 0.71 0.00 0.00 52.55 51.31 1f1j s ASP 407 Cb -0.10 -2.35 -0.04 0.00 1.01 0.00 0.00 42.92 41.43 1f1j s ASP 407 CO 0.30 -0.95 0.88 0.54 0.21 0.00 0.00 175.17 176.15 1f1j s VAL 408 N 2.10 4.82 -0.07 -1.27 0.11 -1.26 -2.68 120.40 122.15 1f1j s VAL 408 Ca 0.28 1.85 0.06 0.00 -2.93 0.00 0.00 61.98 61.23 1f1j s VAL 408 Cb -0.07 -4.22 -0.01 0.00 -1.53 0.00 0.00 36.38 30.55 1f1j s VAL 408 CO -0.08 0.25 -0.25 -0.63 -3.33 0.00 0.00 175.10 171.06 1f1j s ILE 409 N 0.58 2.08 -0.26 7.04 1.01 -1.11 -5.00 121.20 125.54 1f1j s ILE 409 Ca 0.45 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 60.06 1f1j s ILE 409 Cb -0.21 -1.76 0.04 0.00 0.01 0.00 0.00 42.46 40.55 1f1j s ILE 409 CO 0.25 0.57 -0.08 -0.69 0.00 0.00 0.00 174.94 174.99 1f1j s VAL 410 N -0.04 2.60 0.24 2.92 1.01 -1.26 -1.08 120.40 124.78 1f1j s VAL 410 Ca -0.07 -1.29 -0.02 0.00 0.00 0.00 0.00 61.98 60.60 1f1j s VAL 410 Cb -0.15 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 1f1j s VAL 410 CO 0.05 0.09 0.45 -0.31 0.00 0.00 0.00 175.10 175.38 1f1j s TYR 411 N 1.24 3.48 -0.00 5.22 1.51 0.60 -4.98 117.35 124.42 1f1j s TYR 411 Ca -0.03 0.44 0.01 0.00 -1.01 0.00 0.00 57.07 56.48 1f1j s TYR 411 Cb -0.18 -1.94 -0.00 0.00 -0.11 0.00 0.00 41.96 39.73 1f1j s TYR 411 CO -0.05 0.30 -0.04 -0.80 -1.11 0.00 0.00 175.55 173.85 1f1j s ASN 412 N -3.20 0.48 -1.29 2.29 0.01 -1.26 -0.60 114.94 111.38 1f1j s ASN 412 Ca 0.40 -0.07 -0.16 0.00 -0.71 0.00 0.00 52.86 52.32 1f1j s ASN 412 Cb -0.11 -0.06 0.01 0.00 0.41 0.00 0.00 41.25 41.50 1f1j s ASN 412 CO 0.29 0.05 0.56 0.47 -1.51 0.00 0.00 177.10 176.96 1f1j n ASP 413 N 3.00 -2.75 -4.79 -1.22 8.00 -0.07 -4.92 116.55 113.81 1f1j n ASP 413 Ca -0.13 -1.12 -0.36 0.00 0.71 0.00 0.00 54.79 53.89 1f1j n ASP 413 Cb 0.58 -2.65 -0.06 0.00 -0.02 0.00 0.00 41.12 38.98 1f1j n ASP 413 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1f1j s SER 415 N -1.67 2.62 0.14 0.00 1.04 -1.26 -0.58 113.70 113.99 1f1j s SER 415 Ca 0.54 0.36 -0.04 0.00 0.48 0.00 0.00 55.95 57.29 1f1j s SER 415 Cb -0.18 -0.46 -0.05 0.00 0.10 0.00 0.00 66.02 65.42 1f1j s SER 415 CO 0.24 -3.05 1.35 0.00 0.98 0.00 0.00 173.24 172.76 1f1j h ALA 417 N 0.78 1.10 0.41 0.00 0.00 -2.00 -2.70 119.26 116.85 1f1j h ALA 417 Ca -0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1f1j h ALA 417 Cb 1.47 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1f1j h ALA 417 CO 0.15 0.56 -0.20 -0.22 0.00 0.00 0.00 179.25 179.54 1f1j h LYS 418 N 0.45 -0.53 -0.99 0.00 1.63 -1.91 -1.48 116.57 113.74 1f1j h LYS 418 Ca 0.07 0.04 0.21 0.00 -0.85 0.00 0.00 60.65 60.12 1f1j h LYS 418 Cb 0.65 0.12 -0.10 0.00 -0.60 0.00 0.00 32.23 32.31 1f1j h LYS 418 CO 0.05 -0.23 0.62 0.52 -3.45 0.00 0.00 179.45 176.96 1f1j h MET 419 N -0.86 0.57 -0.03 1.90 2.86 -1.44 -0.30 114.93 117.63 1f1j h MET 419 Ca -0.06 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1f1j h MET 419 Cb 0.55 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 1f1j h MET 419 CO 0.09 0.38 -0.04 1.96 1.06 0.00 0.00 176.91 180.36 1f1j h GLN 420 N 0.59 0.08 -0.10 1.72 1.08 -1.40 -2.69 115.11 114.40 1f1j h GLN 420 Ca 0.56 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.71 1f1j h GLN 420 Cb 1.12 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.55 1f1j h GLN 420 CO -0.32 0.58 0.04 0.22 -0.95 0.00 0.00 178.83 178.39 1f1j h ASP 421 N -0.41 0.13 -0.75 1.46 3.58 -0.53 0.29 116.42 120.19 1f1j h ASP 421 Ca 0.00 -0.18 0.09 0.00 0.42 0.00 0.00 57.03 57.36 1f1j h ASP 421 Cb 0.57 -0.03 -0.07 0.00 1.72 0.00 0.00 39.33 41.51 1f1j h ASP 421 CO 0.01 0.27 0.41 0.25 -2.88 0.00 0.00 179.24 177.30 1f1j h LEU 422 N -0.01 0.57 -0.17 2.28 6.46 -1.20 0.54 115.31 123.78 1f1j h LEU 422 Ca 0.03 0.05 -0.22 0.00 -0.12 0.00 0.00 57.88 57.62 1f1j h LEU 422 Cb 0.18 -0.06 -0.00 0.00 -0.73 0.00 0.00 40.66 40.05 1f1j h LEU 422 CO -0.00 0.34 -0.96 -0.07 -0.62 0.00 0.00 178.44 177.13 1f1j h LEU 423 N 0.70 0.38 -0.57 2.25 3.38 -1.33 -2.23 115.31 117.88 1f1j h LEU 423 Ca 0.36 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1f1j h LEU 423 Cb 0.32 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1f1j h LEU 423 CO -0.24 1.14 0.24 0.50 0.09 0.00 0.00 178.44 180.17 1f1j h LYS 424 N 0.15 0.85 -0.30 1.13 3.64 -0.44 -2.70 116.57 118.90 1f1j h LYS 424 Ca -0.07 -0.15 -0.06 0.00 -1.27 0.00 0.00 60.65 59.10 1f1j h LYS 424 Cb 1.61 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.27 1f1j h LYS 424 CO 0.16 0.73 -0.04 0.87 -2.27 0.00 0.00 179.45 178.90 1f1j h LYS 425 N 0.79 0.56 -0.61 1.90 1.57 -0.90 -2.53 116.57 117.34 1f1j h LYS 425 Ca 0.19 -0.20 0.11 0.00 -1.87 0.00 0.00 60.65 58.88 1f1j h LYS 425 Cb 0.18 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1f1j h LYS 425 CO -0.02 0.73 0.41 0.00 -0.57 0.00 0.00 179.45 180.00 1f1j h ALA 426 N 0.81 2.06 0.00 3.86 0.00 -1.30 0.22 119.26 124.91 1f1j h ALA 426 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1f1j h ALA 426 Cb 0.50 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1f1j h ALA 426 CO 0.02 -0.20 0.00 0.66 0.00 0.00 0.00 179.25 179.73 1f1j h SER 427 N 0.38 0.00 0.28 0.00 4.64 -1.23 -3.05 113.55 114.58 1f1j h SER 427 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1f1j h SER 427 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1f1j h SER 427 CO -0.08 0.00 -0.21 -0.62 -0.87 0.00 0.00 176.83 175.05 1f1j n GLU 428 N -3.02 0.78 -1.71 4.77 1.02 0.70 -4.61 120.64 118.57 1f1j n GLU 428 Ca 0.04 -0.40 -0.30 0.00 -0.02 0.00 0.00 57.16 56.48 1f1j n GLU 428 Cb 0.49 -1.49 0.18 0.00 -0.02 0.00 0.00 31.44 30.60 1f1j n GLU 428 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1f1j s GLU 429 N -2.50 0.55 -0.36 3.49 2.02 -0.86 -5.03 118.70 116.01 1f1j s GLU 429 Ca 0.25 -0.17 -0.13 0.00 0.02 0.00 0.00 54.97 54.94 1f1j s GLU 429 Cb 0.19 -1.81 -0.01 0.00 0.10 0.00 0.00 34.13 32.60 1f1j s GLU 429 CO 0.51 -2.51 0.26 0.34 0.02 0.00 0.00 175.26 173.88 1f1j s ASP 430 N -4.54 6.08 0.00 -0.19 -1.08 -1.26 -4.88 116.67 110.80 1f1j s ASP 430 Ca 0.70 -0.51 0.17 0.00 -0.52 0.00 0.00 52.55 52.39 1f1j s ASP 430 Cb -0.07 -2.15 0.32 0.00 -1.46 0.00 0.00 42.92 39.56 1f1j s ASP 430 CO 0.53 -0.29 1.24 1.41 0.52 0.00 0.00 175.17 178.58 1f1j n HIS 431 N 5.14 0.38 -0.38 -5.34 8.25 -1.26 -4.65 115.22 117.36 1f1j n HIS 431 Ca -0.12 -0.26 0.32 0.00 -0.26 0.00 0.00 57.72 57.40 1f1j n HIS 431 Cb 0.49 -0.01 0.59 0.00 1.12 0.00 0.00 29.99 32.18 1f1j n HIS 431 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1f1j h THR 432 N 3.34 0.14 -0.13 1.59 2.02 -1.92 0.62 112.91 118.58 1f1j h THR 432 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1f1j h THR 432 Cb 0.80 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1f1j h THR 432 CO 0.00 0.02 0.00 -0.46 0.37 0.00 0.00 175.52 175.45 1f1j n ASN 433 N -4.92 1.69 -4.62 4.18 6.94 -1.26 -4.89 115.26 112.37 1f1j n ASN 433 Ca 0.36 -1.67 -0.34 0.00 -0.02 0.00 0.00 54.58 52.91 1f1j n ASN 433 Cb 1.28 -0.08 -0.10 0.00 -2.36 0.00 0.00 39.78 38.51 1f1j n ASN 433 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1f1j s ALA 434 N -1.83 3.15 -0.00 -2.53 0.00 0.22 -1.42 121.76 119.34 1f1j s ALA 434 Ca 0.34 -0.83 0.23 0.00 0.00 0.00 0.00 51.96 51.69 1f1j s ALA 434 Cb 0.18 -1.43 0.70 0.00 0.00 0.00 0.00 23.12 22.58 1f1j s ALA 434 CO 0.28 0.51 1.73 0.00 0.00 0.00 0.00 175.76 178.29 1f1j h ALA 435 N 5.47 0.94 -1.78 0.00 0.00 -0.66 -3.48 119.26 119.74 1f1j h ALA 435 Ca -0.47 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1f1j h ALA 435 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1f1j h ALA 435 CO 0.55 0.30 0.00 0.00 0.00 0.00 0.00 179.25 180.11 1f1j s PHE 437 N -5.62 0.03 -0.05 0.00 5.36 -0.86 -4.09 117.98 112.75 1f1j s PHE 437 Ca 0.00 -0.27 -0.18 0.00 -0.96 0.00 0.00 56.93 55.52 1f1j s PHE 437 Cb 0.00 -0.00 0.04 0.00 -0.34 0.00 0.00 43.02 42.71 1f1j s PHE 437 CO 0.00 -0.47 0.40 0.00 -1.46 0.00 0.00 175.22 173.69 1f1j s ALA 438 N -2.81 -1.01 -0.04 11.12 0.00 -0.76 -1.41 121.76 126.85 1f1j s ALA 438 Ca -0.03 0.70 -0.03 0.00 0.00 0.00 0.00 51.96 52.60 1f1j s ALA 438 Cb 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.02 1f1j s ALA 438 CO -0.05 -0.26 0.10 0.00 0.00 0.00 0.00 175.76 175.55 1f1j s ILE 440 N 0.43 1.30 -0.21 0.00 1.01 -0.11 -0.57 121.20 123.06 1f1j s ILE 440 Ca -0.03 -0.58 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 1f1j s ILE 440 Cb -0.05 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 1f1j s ILE 440 CO -0.02 0.31 0.09 -0.76 0.00 0.00 0.00 174.94 174.56 1f1j s LEU 441 N 1.58 3.83 -0.26 2.97 1.43 0.25 -0.82 118.68 127.65 1f1j s LEU 441 Ca 0.03 0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 1f1j s LEU 441 Cb -0.14 -1.99 0.07 0.00 0.03 0.00 0.00 46.19 44.16 1f1j s LEU 441 CO -0.09 0.11 -0.04 -0.76 0.23 0.00 0.00 176.35 175.80 1f1j s LEU 442 N 0.74 3.10 0.00 1.79 1.43 -0.66 -0.52 118.68 124.56 1f1j s LEU 442 Ca 0.05 -1.41 -0.15 0.00 -1.03 0.00 0.00 54.13 51.59 1f1j s LEU 442 Cb -0.13 -1.32 0.05 0.00 0.03 0.00 0.00 46.19 44.82 1f1j s LEU 442 CO 0.02 -0.26 0.71 -0.24 0.23 0.00 0.00 176.35 176.82 1f1j n SER 443 N 4.56 -0.99 -4.86 2.29 2.88 -0.28 -1.81 113.62 115.41 1f1j n SER 443 Ca -0.10 -1.43 -0.31 0.00 -1.33 0.00 0.00 58.87 55.70 1f1j n SER 443 Cb 0.43 1.58 -0.01 0.00 -0.75 0.00 0.00 64.21 65.46 1f1j n SER 443 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1f1j s HIS 444 N -3.12 3.54 0.31 0.66 3.76 -1.26 -3.88 115.29 115.29 1f1j s HIS 444 Ca 0.16 1.35 -0.19 0.00 -0.15 0.00 0.00 55.06 56.23 1f1j s HIS 444 Cb -0.01 -2.73 0.05 0.00 1.11 0.00 0.00 32.58 30.99 1f1j s HIS 444 CO 0.02 -0.51 0.81 0.20 -0.85 0.00 0.00 174.74 174.41 1f1j s GLY 445 N -3.64 0.14 0.11 -2.22 0.00 -1.25 -0.62 107.32 99.84 1f1j s GLY 445 Ca 0.56 -0.48 -0.11 0.00 0.00 0.00 0.00 44.72 44.69 1f1j s GLY 445 CO 0.43 0.08 0.28 -0.54 0.00 0.00 0.00 173.10 173.35 1f1j s GLU 446 N -2.90 0.97 -0.40 2.90 2.02 -0.93 -4.18 118.70 116.18 1f1j s GLU 446 Ca 0.14 -0.91 -0.44 0.00 0.02 0.00 0.00 54.97 53.78 1f1j s GLU 446 Cb -0.05 0.39 -0.18 0.00 0.10 0.00 0.00 34.13 34.39 1f1j s GLU 446 CO 0.08 -0.34 1.63 -1.91 0.02 0.00 0.00 175.26 174.75 1f1j n GLU 447 N -0.14 0.42 -0.97 1.61 2.13 -0.81 -0.66 120.64 122.21 1f1j n GLU 447 Ca -0.14 0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1f1j n GLU 447 Cb 0.63 -1.72 0.00 0.00 0.27 0.00 0.00 31.44 30.62 1f1j n GLU 447 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1f1j n ASN 448 N 4.40 -3.91 -4.02 4.31 4.13 -1.26 -4.99 115.26 113.93 1f1j n ASN 448 Ca 0.29 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.44 1f1j n ASN 448 Cb 0.01 -1.86 -0.11 0.00 -1.54 0.00 0.00 39.78 36.28 1f1j n ASN 448 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1f1j s VAL 449 N -1.64 0.34 0.03 2.41 1.01 0.16 -0.86 120.40 121.85 1f1j s VAL 449 Ca 0.00 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.08 1f1j s VAL 449 Cb 0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 1f1j s VAL 449 CO 0.00 -0.41 -0.17 0.27 0.00 0.00 0.00 175.10 174.79 1f1j s ILE 450 N -1.35 1.34 0.11 2.22 -5.25 -0.05 -2.50 121.20 115.72 1f1j s ILE 450 Ca -0.12 -0.99 -0.24 0.00 -0.99 0.00 0.00 60.65 58.31 1f1j s ILE 450 Cb -0.10 -1.17 -0.07 0.00 2.95 0.00 0.00 42.46 44.08 1f1j s ILE 450 CO -0.00 0.16 0.73 -0.31 -1.79 0.00 0.00 174.94 173.73 1f1j s TYR 451 N -0.71 3.83 0.55 1.37 1.51 0.21 -1.93 117.35 122.18 1f1j s TYR 451 Ca 0.05 1.51 0.06 0.00 -1.01 0.00 0.00 57.07 57.68 1f1j s TYR 451 Cb -0.08 -2.73 0.10 0.00 -0.11 0.00 0.00 41.96 39.14 1f1j s TYR 451 CO 0.01 0.45 0.76 0.41 -1.11 0.00 0.00 175.55 176.07 1f1j n GLY 452 N 1.89 1.55 0.20 0.71 0.00 -0.45 -4.61 105.19 104.48 1f1j n GLY 452 Ca -0.05 -2.16 0.14 0.00 0.00 0.00 0.00 46.02 43.95 1f1j n GLY 452 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1f1j h LYS 453 N 0.00 0.00 0.08 1.61 2.10 -1.11 -3.24 116.57 116.01 1f1j h LYS 453 Ca -0.26 0.00 -0.25 0.00 -2.00 0.00 0.00 60.65 58.15 1f1j h LYS 453 Cb 1.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.42 1f1j h LYS 453 CO 0.33 0.00 -1.14 0.22 -2.00 0.00 0.00 179.45 176.86 1f1j h ASP 454 N 0.00 0.27 0.00 7.07 3.58 -1.90 -0.90 116.42 124.54 1f1j h ASP 454 Ca 0.00 -0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.17 1f1j h ASP 454 Cb 0.73 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.69 1f1j h ASP 454 CO 0.00 1.22 0.00 0.61 -2.88 0.00 0.00 179.24 178.19 1f1j n GLY 455 N 1.44 -0.46 3.02 -0.78 0.00 -1.22 -4.95 105.19 102.24 1f1j n GLY 455 Ca -0.05 0.20 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 1f1j n GLY 455 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1f1j s VAL 456 N 0.00 0.10 -0.10 1.61 1.01 -1.26 -1.35 120.40 120.42 1f1j s VAL 456 Ca 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.05 1f1j s VAL 456 Cb 0.00 -0.31 0.03 0.00 0.00 0.00 0.00 36.38 36.09 1f1j s VAL 456 CO 0.00 -0.46 0.27 0.28 0.00 0.00 0.00 175.10 175.19 1f1j s THR 457 N -1.43 0.00 0.22 3.92 -1.32 -0.81 -4.94 115.64 111.27 1f1j s THR 457 Ca -0.16 -0.03 -0.31 0.00 -1.21 0.00 0.00 61.69 59.98 1f1j s THR 457 Cb -0.09 -0.39 -0.11 0.00 -1.51 0.00 0.00 72.50 70.40 1f1j s THR 457 CO -0.00 -0.02 1.61 -2.84 -2.21 0.00 0.00 174.62 171.16 1f1j s PRO 458 N 0.06 4.17 0.46 7.08 0.02 -1.26 -0.88 135.00 144.66 1f1j s PRO 458 Ca -0.01 2.48 0.15 0.00 0.02 0.00 0.00 61.00 63.65 1f1j s PRO 458 Cb -0.02 -3.09 1.07 0.00 0.02 0.00 0.00 34.50 32.47 1f1j s PRO 458 CO 0.01 -0.64 2.03 0.82 -0.33 0.00 0.00 177.00 178.89 1f1j h ILE 459 N 3.75 1.10 -0.29 2.83 2.04 -1.31 -1.62 117.51 123.99 1f1j h ILE 459 Ca -0.44 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 64.90 1f1j h ILE 459 Cb 1.21 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 1f1j h ILE 459 CO 0.89 0.14 -0.00 0.50 0.00 0.00 0.00 178.15 179.67 1f1j h LYS 460 N 0.00 0.45 0.00 2.37 3.11 -1.91 -2.35 116.57 118.24 1f1j h LYS 460 Ca -0.00 -0.09 -0.09 0.00 -2.81 0.00 0.00 60.65 57.67 1f1j h LYS 460 Cb 0.25 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.39 1f1j h LYS 460 CO 0.02 0.48 -0.41 -0.44 -2.81 0.00 0.00 179.45 176.29 1f1j h ASP 461 N 0.43 0.00 0.07 4.20 3.32 -1.67 -1.88 116.42 120.89 1f1j h ASP 461 Ca 0.10 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.97 1f1j h ASP 461 Cb 0.29 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.86 1f1j h ASP 461 CO 0.01 0.41 -0.74 -0.07 -1.72 0.00 0.00 179.24 177.13 1f1j h LEU 462 N 0.00 0.54 -0.16 1.55 3.38 -1.42 -3.32 115.31 115.88 1f1j h LEU 462 Ca -0.00 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 57.12 1f1j h LEU 462 Cb 0.85 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1f1j h LEU 462 CO 0.05 1.32 0.00 0.71 0.09 0.00 0.00 178.44 180.61 1f1j h THR 463 N -0.18 0.00 -0.37 0.22 1.35 -1.47 -3.29 112.91 109.17 1f1j h THR 463 Ca -0.11 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 1f1j h THR 463 Cb 1.49 1.79 -0.02 0.00 -1.73 0.00 0.00 68.15 69.68 1f1j h THR 463 CO 0.14 0.00 0.25 0.00 -0.25 0.00 0.00 175.52 175.66 1f1j h ALA 464 N 2.14 1.74 -0.67 6.62 0.00 -1.44 -2.35 119.26 125.30 1f1j h ALA 464 Ca 0.00 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.07 1f1j h ALA 464 Cb 0.87 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1f1j h ALA 464 CO 0.00 0.24 0.47 0.45 0.00 0.00 0.00 179.25 180.41 1f1j h HIS 465 N 0.50 0.08 -0.55 0.00 3.86 -1.75 -0.41 115.15 116.88 1f1j h HIS 465 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1f1j h HIS 465 Cb -0.05 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.39 1f1j h HIS 465 CO -0.00 0.03 0.00 1.19 0.86 0.00 0.00 177.93 180.01 1f1j n PHE 466 N -4.37 1.15 -1.91 2.45 3.01 -0.88 -3.79 117.46 113.12 1f1j n PHE 466 Ca 0.13 -0.47 -0.39 0.00 1.01 0.00 0.00 57.45 57.73 1f1j n PHE 466 Cb 0.70 -0.17 0.02 0.00 -0.01 0.00 0.00 39.48 40.01 1f1j n PHE 466 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1f1j s ARG 467 N -1.68 3.51 0.35 -1.08 0.52 -0.16 -4.52 118.95 115.88 1f1j s ARG 467 Ca 0.42 2.19 0.14 0.00 -0.52 0.00 0.00 55.73 57.95 1f1j s ARG 467 Cb 0.26 -2.46 1.12 0.00 0.52 0.00 0.00 34.95 34.39 1f1j s ARG 467 CO 0.22 -0.88 1.60 0.78 0.02 0.00 0.00 175.30 177.03 1f1j h GLY 468 N 1.96 1.95 1.55 -3.53 0.00 -1.60 0.74 103.07 104.14 1f1j h GLY 468 Ca -0.50 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1f1j h GLY 468 CO 0.60 -0.66 0.00 2.09 0.00 0.00 0.00 176.54 178.57 1f1j n ASP 469 N -5.27 0.00 -0.02 0.19 5.75 -1.26 -3.58 116.55 112.35 1f1j n ASP 469 Ca 0.32 -0.16 -0.02 0.00 -0.01 0.00 0.00 54.79 54.92 1f1j n ASP 469 Cb 1.07 -0.27 -0.04 0.00 -1.03 0.00 0.00 41.12 40.85 1f1j n ASP 469 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1f1j n ARG 470 N -1.27 3.15 -3.62 0.11 1.74 0.24 -4.75 116.66 112.26 1f1j n ARG 470 Ca 0.14 -0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.95 1f1j n ARG 470 Cb 0.23 -1.13 -0.10 0.00 -1.02 0.00 0.00 32.46 30.44 1f1j n ARG 470 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1f1j n SER 471 N -2.18 2.24 0.30 0.55 2.88 -0.38 -4.86 113.62 112.16 1f1j n SER 471 Ca -0.08 -3.05 0.15 0.00 -1.33 0.00 0.00 58.87 54.56 1f1j n SER 471 Cb 0.65 -0.69 0.91 0.00 -0.75 0.00 0.00 64.21 64.33 1f1j n SER 471 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1f1j h LYS 472 N 5.01 0.00 0.00 -1.46 1.57 -1.81 -2.03 116.57 117.85 1f1j h LYS 472 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1f1j h LYS 472 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 1f1j h LYS 472 CO 0.65 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.79 1f1j n THR 473 N -3.87 0.35 0.73 -0.16 -2.24 -1.26 -1.79 114.28 106.04 1f1j n THR 473 Ca -0.03 0.09 0.09 0.00 -2.27 0.00 0.00 64.05 61.93 1f1j n THR 473 Cb 0.08 -0.68 0.07 0.00 -2.10 0.00 0.00 70.33 67.70 1f1j n THR 473 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1f1j n LEU 474 N -1.47 2.42 -4.64 3.22 4.77 -0.77 -4.00 117.00 116.53 1f1j n LEU 474 Ca 0.07 -0.99 -0.47 0.00 -0.03 0.00 0.00 56.01 54.59 1f1j n LEU 474 Cb 0.26 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 1f1j n LEU 474 CO 0.21 0.43 0.96 -0.11 -1.33 0.00 0.00 177.39 177.55 1f1j n LEU 475 N 0.93 2.51 0.00 2.23 7.94 -0.74 -0.70 117.00 129.18 1f1j n LEU 475 Ca 0.10 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.13 1f1j n LEU 475 Cb 0.43 -1.34 0.00 0.00 0.53 0.00 0.00 43.42 43.04 1f1j n LEU 475 CO 0.11 -0.73 0.00 -0.62 -1.11 0.00 0.00 177.39 175.04 1f1j n GLU 476 N 2.29 -0.64 -4.28 1.96 1.02 -1.26 -5.00 120.64 114.74 1f1j n GLU 476 Ca 0.14 0.16 -0.30 0.00 -0.02 0.00 0.00 57.16 57.15 1f1j n GLU 476 Cb 0.28 -3.72 -0.10 0.00 -0.02 0.00 0.00 31.44 27.87 1f1j n GLU 476 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1f1j s LYS 477 N -0.74 2.02 0.28 3.49 1.02 0.12 -4.96 119.74 120.97 1f1j s LYS 477 Ca 0.00 -1.07 -0.29 0.00 0.02 0.00 0.00 55.97 54.63 1f1j s LYS 477 Cb 0.00 -2.24 -0.10 0.00 -0.52 0.00 0.00 37.83 34.97 1f1j s LYS 477 CO 0.00 0.50 1.22 -1.25 -0.92 0.00 0.00 175.35 174.90 1f1j s PRO 478 N -2.13 4.48 -0.50 -1.68 0.04 -1.26 -4.84 135.00 129.12 1f1j s PRO 478 Ca 0.20 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.29 1f1j s PRO 478 Cb -0.11 -3.15 0.13 0.00 0.04 0.00 0.00 34.50 31.41 1f1j s PRO 478 CO 0.12 -0.04 0.24 0.15 0.04 0.00 0.00 177.00 177.51 1f1j s LYS 479 N -1.29 1.86 0.29 4.56 1.02 -0.46 -2.03 119.74 123.69 1f1j s LYS 479 Ca 0.49 -2.49 -0.25 0.00 0.02 0.00 0.00 55.97 53.73 1f1j s LYS 479 Cb -0.36 -3.19 -0.09 0.00 -0.52 0.00 0.00 37.83 33.67 1f1j s LYS 479 CO 0.45 -1.10 0.90 -0.51 -0.92 0.00 0.00 175.35 174.17 1f1j s LEU 480 N -0.13 4.37 -0.03 3.17 1.43 -0.50 -2.73 118.68 124.26 1f1j s LEU 480 Ca 0.17 1.77 -0.01 0.00 -1.03 0.00 0.00 54.13 55.03 1f1j s LEU 480 Cb -0.25 -3.89 0.03 0.00 0.03 0.00 0.00 46.19 42.11 1f1j s LEU 480 CO -0.01 -0.02 0.04 -0.36 0.23 0.00 0.00 176.35 176.23 1f1j s PHE 481 N -1.55 0.04 -0.15 0.29 0.40 -0.29 -1.73 117.98 114.99 1f1j s PHE 481 Ca 0.48 0.19 -0.00 0.00 -0.60 0.00 0.00 56.93 56.99 1f1j s PHE 481 Cb -0.19 -0.35 -0.01 0.00 0.51 0.00 0.00 43.02 42.99 1f1j s PHE 481 CO 0.24 -0.13 -0.14 -0.06 0.70 0.00 0.00 175.22 175.82 1f1j s PHE 482 N 1.56 2.80 -0.13 0.36 0.40 0.27 -1.03 117.98 122.21 1f1j s PHE 482 Ca -0.03 -0.91 0.01 0.00 -0.60 0.00 0.00 56.93 55.40 1f1j s PHE 482 Cb -0.13 -1.88 0.02 0.00 0.51 0.00 0.00 43.02 41.54 1f1j s PHE 482 CO -0.03 -0.40 -0.13 0.42 0.70 0.00 0.00 175.22 175.78 1f1j s ILE 483 N 0.70 1.42 -0.43 0.64 1.01 -0.27 -0.58 121.20 123.69 1f1j s ILE 483 Ca -0.07 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 1f1j s ILE 483 Cb -0.15 -1.34 0.12 0.00 0.01 0.00 0.00 42.46 41.09 1f1j s ILE 483 CO 0.02 0.43 0.22 -1.58 0.00 0.00 0.00 174.94 174.03 1f1j s GLN 484 N 1.35 2.02 -0.05 2.79 2.00 0.32 -1.01 119.66 127.08 1f1j s GLN 484 Ca 0.01 -1.91 -0.29 0.00 -2.00 0.00 0.00 55.36 51.16 1f1j s GLN 484 Cb -0.13 -3.57 0.10 0.00 0.80 0.00 0.00 33.01 30.21 1f1j s GLN 484 CO -0.07 -1.07 0.82 0.00 -0.50 0.00 0.00 175.29 174.47 1f1j s ALA 485 N 0.97 -1.82 0.59 1.58 0.00 -1.25 -1.13 121.76 120.70 1f1j s ALA 485 Ca 0.10 1.24 -0.18 0.00 0.00 0.00 0.00 51.96 53.11 1f1j s ALA 485 Cb -0.22 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1f1j s ALA 485 CO -0.04 -0.47 1.14 0.00 0.00 0.00 0.00 175.76 176.39 1f1j n ARG 487 N -1.66 1.21 -1.47 0.00 1.74 0.57 -2.18 116.66 114.87 1f1j n ARG 487 Ca 0.12 -2.63 0.00 0.00 -0.77 0.00 0.00 57.85 54.57 1f1j n ARG 487 Cb 0.51 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 1f1j n ARG 487 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1f1j n GLY 488 N -1.15 0.07 0.09 -0.13 0.00 -0.95 -0.92 105.19 102.20 1f1j n GLY 488 Ca 0.15 -1.31 0.03 0.00 0.00 0.00 0.00 46.02 44.90 1f1j n GLY 488 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1f1j n THR 489 N 9.00 1.01 -2.91 2.61 -2.24 -0.66 -3.83 114.28 117.24 1f1j n THR 489 Ca 0.00 -1.13 -0.32 0.00 -2.27 0.00 0.00 64.05 60.32 1f1j n THR 489 Cb 0.00 0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.50 1f1j n THR 489 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1f1j s GLU 490 N -1.34 4.06 -0.07 -0.78 2.02 -0.35 -4.75 118.70 117.50 1f1j s GLU 490 Ca 0.11 0.84 0.04 0.00 0.02 0.00 0.00 54.97 55.99 1f1j s GLU 490 Cb 0.09 -2.30 -0.02 0.00 0.10 0.00 0.00 34.13 32.01 1f1j s GLU 490 CO 0.01 0.02 -0.20 -0.51 0.02 0.00 0.00 175.26 174.60 1f1j s LEU 491 N -3.26 2.34 -0.22 1.80 1.43 -1.26 -1.23 118.68 118.28 1f1j s LEU 491 Ca 0.57 -0.41 -0.16 0.00 -1.03 0.00 0.00 54.13 53.11 1f1j s LEU 491 Cb -0.10 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 1f1j s LEU 491 CO 0.19 0.26 0.41 -0.62 0.23 0.00 0.00 176.35 176.81 1f1j s ASP 492 N -0.21 6.41 0.18 2.29 -1.08 -1.26 -4.96 116.67 118.04 1f1j s ASP 492 Ca -0.01 0.49 0.23 0.00 -0.52 0.00 0.00 52.55 52.74 1f1j s ASP 492 Cb -0.13 -2.23 0.11 0.00 -1.46 0.00 0.00 42.92 39.20 1f1j s ASP 492 CO 0.03 -0.11 1.14 0.44 0.52 0.00 0.00 175.17 177.19 1f1j h ASP 493 N 7.54 0.00 -4.04 -0.34 3.32 -1.90 0.36 116.42 121.35 1f1j h ASP 493 Ca -0.35 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1f1j h ASP 493 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1f1j h ASP 493 CO 0.71 0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.88 1f1j n GLY 494 N 1.23 -1.86 2.88 2.75 0.00 -1.26 -4.57 105.19 104.36 1f1j n GLY 494 Ca 0.01 -1.52 -0.12 0.00 0.00 0.00 0.00 46.02 44.40 1f1j n GLY 494 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1f1j s ILE 495 N -2.10 0.03 0.00 -0.61 1.10 -1.26 -5.08 121.20 113.28 1f1j s ILE 495 Ca 0.00 -0.09 -0.00 0.00 -0.51 0.00 0.00 60.65 60.05 1f1j s ILE 495 Cb 0.00 -0.05 -0.01 0.00 0.15 0.00 0.00 42.46 42.55 1f1j s ILE 495 CO 0.00 -0.04 0.39 1.67 -2.11 0.00 0.00 174.94 174.85 1f1j n GLN 496 N 2.94 0.16 0.00 3.50 -0.06 -1.26 -5.23 117.38 117.43 1f1j n GLN 496 Ca -0.13 -0.03 0.00 0.00 -2.00 0.00 0.00 57.00 54.84 1f1j n GLN 496 Cb 0.59 -1.46 0.00 0.00 -4.06 0.00 0.00 30.24 25.31 1f1j n GLN 496 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1f1j n LYS 512 N 2.13 0.00 -4.38 3.69 5.02 -1.26 -5.35 118.16 118.01 1f1j n LYS 512 Ca 0.01 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.10 1f1j n LYS 512 Cb 0.08 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 34.95 1f1j n LYS 512 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1f1j s ILE 513 N 0.00 0.99 0.27 -0.18 1.10 -1.26 -5.12 121.20 117.00 1f1j s ILE 513 Ca 0.00 -0.81 -0.30 0.00 -0.51 0.00 0.00 60.65 59.03 1f1j s ILE 513 Cb 0.00 -0.88 -0.10 0.00 0.15 0.00 0.00 42.46 41.63 1f1j s ILE 513 CO 0.00 0.07 1.42 -2.84 -2.11 0.00 0.00 174.94 171.48 1f1j s PRO 514 N -0.85 4.27 0.04 3.50 0.02 -1.26 -4.89 135.00 135.84 1f1j s PRO 514 Ca 0.02 2.31 0.11 0.00 0.02 0.00 0.00 61.00 63.45 1f1j s PRO 514 Cb -0.07 -3.09 0.46 0.00 0.02 0.00 0.00 34.50 31.82 1f1j s PRO 514 CO 0.01 -0.39 1.33 1.33 -0.33 0.00 0.00 177.00 178.95 1f1j n VAL 515 N 1.97 1.34 0.77 3.83 0.24 -1.26 -1.73 118.33 123.48 1f1j n VAL 515 Ca 0.05 0.36 0.09 0.00 -2.04 0.00 0.00 64.34 62.80 1f1j n VAL 515 Cb 0.40 -1.22 0.01 0.00 -1.47 0.00 0.00 33.84 31.55 1f1j n VAL 515 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1f1j n GLU 516 N -1.60 1.59 -1.49 7.34 -0.58 -1.26 -1.69 120.64 122.95 1f1j n GLU 516 Ca 0.02 -0.92 -0.32 0.00 -0.42 0.00 0.00 57.16 55.51 1f1j n GLU 516 Cb 0.11 -1.32 0.07 0.00 -0.57 0.00 0.00 31.44 29.74 1f1j n GLU 516 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1f1j s ALA 517 N -1.95 2.29 -0.49 0.62 0.00 -0.71 -4.10 121.76 117.43 1f1j s ALA 517 Ca 0.15 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1f1j s ALA 517 Cb 0.14 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1f1j s ALA 517 CO 0.41 -1.60 0.00 -0.25 0.00 0.00 0.00 175.76 174.32 1f1j n ASP 518 N -2.91 -4.10 -4.97 0.00 8.00 0.06 -4.80 116.55 107.83 1f1j n ASP 518 Ca 0.10 0.11 -0.21 0.00 0.71 0.00 0.00 54.79 55.51 1f1j n ASP 518 Cb 0.52 -2.00 0.01 0.00 -0.02 0.00 0.00 41.12 39.63 1f1j n ASP 518 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1f1j s PHE 519 N -1.99 3.14 -0.28 1.24 0.40 -1.26 -1.36 117.98 117.88 1f1j s PHE 519 Ca 0.00 0.02 -0.12 0.00 -0.60 0.00 0.00 56.93 56.23 1f1j s PHE 519 Cb 0.00 -2.24 0.11 0.00 0.51 0.00 0.00 43.02 41.40 1f1j s PHE 519 CO 0.00 -0.28 0.64 -1.17 0.70 0.00 0.00 175.22 175.11 1f1j s LEU 520 N -4.43 -1.00 -0.11 -0.37 0.20 -1.11 -0.62 118.68 111.25 1f1j s LEU 520 Ca 0.48 1.49 0.02 0.00 0.69 0.00 0.00 54.13 56.81 1f1j s LEU 520 Cb -0.10 2.24 -0.01 0.00 -0.43 0.00 0.00 46.19 47.89 1f1j s LEU 520 CO 0.35 -0.23 -0.18 -0.36 -0.29 0.00 0.00 176.35 175.65 1f1j s PHE 521 N 2.37 2.69 -0.41 5.38 0.40 -0.29 -1.14 117.98 126.98 1f1j s PHE 521 Ca -0.07 -0.73 0.04 0.00 -0.60 0.00 0.00 56.93 55.56 1f1j s PHE 521 Cb -0.09 -1.76 0.11 0.00 0.51 0.00 0.00 43.02 41.79 1f1j s PHE 521 CO -0.19 -0.24 0.14 0.00 0.70 0.00 0.00 175.22 175.63 1f1j s ALA 522 N 0.20 3.00 0.38 5.36 0.00 -0.20 -0.10 121.76 130.41 1f1j s ALA 522 Ca -0.11 -2.80 -0.12 0.00 0.00 0.00 0.00 51.96 48.93 1f1j s ALA 522 Cb -0.16 -2.03 -0.07 0.00 0.00 0.00 0.00 23.12 20.86 1f1j s ALA 522 CO 0.06 -1.83 0.75 0.71 0.00 0.00 0.00 175.76 175.46 1f1j s TYR 523 N 0.44 3.44 -0.07 0.00 1.51 -0.52 -1.12 117.35 121.04 1f1j s TYR 523 Ca 0.13 1.09 0.27 0.00 -1.01 0.00 0.00 57.07 57.55 1f1j s TYR 523 Cb -0.22 -2.46 0.88 0.00 -0.11 0.00 0.00 41.96 40.05 1f1j s TYR 523 CO -0.05 -0.04 1.80 0.66 -1.11 0.00 0.00 175.55 176.81 1f1j h SER 524 N 1.57 0.00 -5.29 2.29 4.64 -1.37 -2.26 113.55 113.13 1f1j h SER 524 Ca -0.47 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.73 1f1j h SER 524 Cb 1.18 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.15 1f1j h SER 524 CO 0.64 0.08 -0.36 0.28 -0.87 0.00 0.00 176.83 176.61 1f1j s THR 525 N -3.48 0.06 0.58 2.95 -1.32 -1.26 -3.37 115.64 109.81 1f1j s THR 525 Ca 0.03 -1.47 -0.15 0.00 -1.21 0.00 0.00 61.69 58.89 1f1j s THR 525 Cb 0.08 -1.90 -0.05 0.00 -1.51 0.00 0.00 72.50 69.12 1f1j s THR 525 CO 0.61 -0.29 1.03 0.68 -2.21 0.00 0.00 174.62 174.44 1f1j s VAL 526 N -3.99 4.20 0.39 5.08 -7.23 -1.11 -4.13 120.40 113.61 1f1j s VAL 526 Ca 0.19 0.97 -0.26 0.00 -1.81 0.00 0.00 61.98 61.08 1f1j s VAL 526 Cb 0.04 -3.56 -0.11 0.00 0.56 0.00 0.00 36.38 33.31 1f1j s VAL 526 CO 0.01 -0.68 1.16 -2.65 -0.31 0.00 0.00 175.10 172.63 1f1j n PRO 527 N -2.06 1.71 0.00 4.82 -0.02 -1.26 -2.46 135.00 135.73 1f1j n PRO 527 Ca 0.07 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1f1j n PRO 527 Cb 0.53 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1f1j n PRO 527 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1f1j n GLY 528 N 0.97 3.11 3.96 -1.23 0.00 -0.10 -4.98 105.19 106.92 1f1j n GLY 528 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1f1j n GLY 528 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1f1j s TYR 529 N -1.63 3.24 0.83 1.61 1.51 -1.03 -1.21 117.35 120.67 1f1j s TYR 529 Ca 0.00 0.13 -0.12 0.00 -1.01 0.00 0.00 57.07 56.07 1f1j s TYR 529 Cb 0.00 -2.16 0.09 0.00 -0.11 0.00 0.00 41.96 39.78 1f1j s TYR 529 CO 0.00 -0.18 1.16 0.71 -1.11 0.00 0.00 175.55 176.13 1f1j s TYR 530 N -2.41 2.87 -0.03 2.71 2.02 -0.36 -0.31 117.35 121.83 1f1j s TYR 530 Ca 0.46 0.81 0.04 0.00 -0.37 0.00 0.00 57.07 58.00 1f1j s TYR 530 Cb -0.10 -3.43 -0.00 0.00 -0.40 0.00 0.00 41.96 38.03 1f1j s TYR 530 CO 0.36 -1.88 -0.14 0.45 -1.57 0.00 0.00 175.55 172.77 1f1j s SER 531 N -4.41 1.73 0.21 2.29 0.15 -1.26 -4.73 113.70 107.69 1f1j s SER 531 Ca 0.62 -0.28 -0.06 0.00 0.70 0.00 0.00 55.95 56.93 1f1j s SER 531 Cb -0.12 -0.45 -0.06 0.00 -1.71 0.00 0.00 66.02 63.68 1f1j s SER 531 CO 0.50 0.12 0.48 0.26 1.20 0.00 0.00 173.24 175.80 1f1j s TRP 532 N 0.06 3.46 -0.15 3.44 0.52 -1.26 -4.80 118.94 120.21 1f1j s TRP 532 Ca -0.03 0.68 -0.07 0.00 0.02 0.00 0.00 56.10 56.70 1f1j s TRP 532 Cb -0.10 -2.11 0.06 0.00 -1.15 0.00 0.00 33.47 30.18 1f1j s TRP 532 CO 0.01 0.31 0.34 0.50 0.02 0.00 0.00 176.95 178.13 1f1j s ARG 533 N -2.95 0.28 -0.31 4.98 3.52 -1.26 -2.87 118.95 120.34 1f1j s ARG 533 Ca 0.44 0.77 -0.20 0.00 -0.13 0.00 0.00 55.73 56.60 1f1j s ARG 533 Cb -0.11 0.02 -0.01 0.00 -1.56 0.00 0.00 34.95 33.29 1f1j s ARG 533 CO 0.25 -0.21 0.63 0.45 -0.81 0.00 0.00 175.30 175.61 1f1j s SER 534 N 1.85 6.49 0.58 -2.12 0.15 -0.84 -4.92 113.70 114.89 1f1j s SER 534 Ca -0.05 0.40 0.27 0.00 0.70 0.00 0.00 55.95 57.27 1f1j s SER 534 Cb -0.10 -2.33 1.62 0.00 -1.71 0.00 0.00 66.02 63.50 1f1j s SER 534 CO -0.11 -0.48 2.12 -0.65 1.20 0.00 0.00 173.24 175.32 1f1j h PRO 535 N 8.21 0.00 0.00 5.44 0.11 -1.85 0.43 132.00 144.34 1f1j h PRO 535 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1f1j h PRO 535 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1f1j h PRO 535 CO 0.80 0.00 -1.44 0.41 -0.21 0.00 0.00 178.00 177.56 1f1j n GLY 536 N -1.43 -1.04 0.00 -0.55 0.00 -1.26 -2.81 105.19 98.10 1f1j n GLY 536 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1f1j n GLY 536 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1f1j n ARG 537 N -1.92 0.63 0.00 1.61 1.74 -1.06 -5.05 116.66 112.62 1f1j n ARG 537 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1f1j n ARG 537 Cb 0.45 -0.95 0.00 0.00 -1.02 0.00 0.00 32.46 30.95 1f1j n ARG 537 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1f1j n GLY 538 N 2.24 0.94 3.73 -0.13 0.00 0.15 -4.82 105.19 107.30 1f1j n GLY 538 Ca 0.00 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.51 1f1j n GLY 538 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f1j s SER 539 N 0.00 4.27 0.05 1.61 1.04 -1.26 -1.98 113.70 117.43 1f1j s SER 539 Ca 0.00 2.33 -0.22 0.00 0.48 0.00 0.00 55.95 58.55 1f1j s SER 539 Cb 0.00 -2.59 -0.14 0.00 0.10 0.00 0.00 66.02 63.40 1f1j s SER 539 CO 0.00 -2.21 1.46 -0.50 0.98 0.00 0.00 173.24 172.97 1f1j h TRP 540 N -0.25 0.25 -0.36 5.02 6.55 -1.92 -0.37 115.95 124.88 1f1j h TRP 540 Ca -0.48 -0.05 0.07 0.00 0.95 0.00 0.00 58.89 59.38 1f1j h TRP 540 Cb 1.29 -0.06 -0.06 0.00 -0.86 0.00 0.00 29.16 29.47 1f1j h TRP 540 CO 0.47 0.49 -0.01 0.35 -1.05 0.00 0.00 178.44 178.69 1f1j h PHE 541 N -0.06 -0.05 -0.18 0.49 3.57 -1.90 -0.15 116.94 118.66 1f1j h PHE 541 Ca 0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1f1j h PHE 541 Cb 0.40 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1f1j h PHE 541 CO 0.04 -0.08 0.03 0.28 -2.23 0.00 0.00 178.31 176.35 1f1j h VAL 542 N 0.08 1.22 -0.16 1.41 2.07 -1.93 0.29 116.25 119.23 1f1j h VAL 542 Ca 0.17 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 67.04 1f1j h VAL 542 Cb 0.24 1.34 -0.07 0.00 -1.52 0.00 0.00 31.29 31.28 1f1j h VAL 542 CO -0.30 0.22 -0.31 1.56 0.02 0.00 0.00 177.57 178.76 1f1j h GLN 543 N 0.10 -0.35 -0.43 1.57 4.20 -0.62 -0.99 115.11 118.59 1f1j h GLN 543 Ca 0.06 0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 1f1j h GLN 543 Cb 0.30 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1f1j h GLN 543 CO 0.00 -0.23 -0.03 0.00 -0.67 0.00 0.00 178.83 177.90 1f1j h ALA 544 N 0.50 0.58 0.55 3.87 0.00 -0.92 -2.30 119.26 121.54 1f1j h ALA 544 Ca 0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1f1j h ALA 544 Cb 0.53 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1f1j h ALA 544 CO -0.37 0.39 -0.41 1.25 0.00 0.00 0.00 179.25 180.11 1f1j h LEU 545 N 0.61 -1.08 -0.47 0.00 5.85 -0.08 -1.13 115.31 119.00 1f1j h LEU 545 Ca 0.12 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.98 1f1j h LEU 545 Cb 0.53 0.34 -0.06 0.00 0.37 0.00 0.00 40.66 41.84 1f1j h LEU 545 CO 0.03 -0.61 0.12 0.00 -0.34 0.00 0.00 178.44 177.64 1f1j h SER 547 N 0.27 -0.40 -0.20 0.00 0.87 -1.17 0.41 113.55 113.34 1f1j h SER 547 Ca 0.23 0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.86 1f1j h SER 547 Cb 0.27 0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1f1j h SER 547 CO -0.27 -0.14 -0.04 0.40 -0.53 0.00 0.00 176.83 176.25 1f1j h ILE 548 N -0.03 1.28 -0.97 2.23 1.08 -0.75 -2.73 117.51 117.62 1f1j h ILE 548 Ca 0.18 -0.99 0.06 0.00 -0.39 0.00 0.00 64.86 63.72 1f1j h ILE 548 Cb 0.30 1.53 -0.06 0.00 -3.07 0.00 0.00 36.82 35.51 1f1j h ILE 548 CO -0.39 0.30 0.63 -0.07 -0.69 0.00 0.00 178.15 177.93 1f1j h LEU 549 N 0.11 0.99 -0.67 1.44 3.38 -0.50 0.75 115.31 120.80 1f1j h LEU 549 Ca 0.05 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1f1j h LEU 549 Cb 0.47 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1f1j h LEU 549 CO 0.02 0.63 0.39 -0.33 0.09 0.00 0.00 178.44 179.24 1f1j h GLU 550 N 1.12 0.72 0.00 1.13 5.08 -0.05 0.68 114.58 123.26 1f1j h GLU 550 Ca 0.42 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.57 1f1j h GLU 550 Cb 0.18 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1f1j h GLU 550 CO -0.16 0.48 -1.28 1.49 -1.00 0.00 0.00 179.01 178.53 1f1j h GLU 551 N 0.74 0.00 0.00 2.33 4.57 -1.03 -3.42 114.58 117.77 1f1j h GLU 551 Ca 0.29 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.47 1f1j h GLU 551 Cb 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1f1j h GLU 551 CO -0.15 0.32 -0.24 0.72 -1.18 0.00 0.00 179.01 178.47 1f1j n HIS 552 N -2.94 0.00 0.30 0.92 8.25 0.25 -4.88 115.22 117.14 1f1j n HIS 552 Ca -0.08 -0.01 0.18 0.00 -0.26 0.00 0.00 57.72 57.55 1f1j n HIS 552 Cb 0.82 -0.03 1.02 0.00 1.12 0.00 0.00 29.99 32.92 1f1j n HIS 552 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1f1j h GLY 553 N 0.00 0.00 -0.76 -1.41 0.00 0.31 -2.23 103.07 98.98 1f1j h GLY 553 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1f1j h GLY 553 CO 0.00 0.00 -0.03 0.28 0.00 0.00 0.00 176.54 176.79 1f1j n LYS 554 N -3.52 0.65 0.00 4.80 4.01 -1.26 -4.36 118.16 118.48 1f1j n LYS 554 Ca -0.02 -1.03 0.00 0.00 -0.51 0.00 0.00 58.31 56.75 1f1j n LYS 554 Cb 0.12 -1.17 0.00 0.00 -0.51 0.00 0.00 35.03 33.46 1f1j n LYS 554 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 1f1j n ASP 555 N 0.45 0.58 -4.39 4.39 5.68 -0.93 -4.37 116.55 117.96 1f1j n ASP 555 Ca 0.06 -0.81 -0.28 0.00 -0.50 0.00 0.00 54.79 53.25 1f1j n ASP 555 Cb 0.24 0.29 -0.13 0.00 -1.14 0.00 0.00 41.12 40.38 1f1j n ASP 555 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1f1j s LEU 556 N -0.57 2.33 0.53 -2.12 1.43 -0.89 -5.11 118.68 114.28 1f1j s LEU 556 Ca 0.00 -0.76 -0.19 0.00 -1.03 0.00 0.00 54.13 52.15 1f1j s LEU 556 Cb 0.00 -1.19 -0.07 0.00 0.03 0.00 0.00 46.19 44.96 1f1j s LEU 556 CO 0.00 0.16 1.07 -0.70 0.23 0.00 0.00 176.35 177.12 1f1j s GLU 557 N -2.11 3.55 0.28 1.70 -6.30 -1.26 -4.64 118.70 109.91 1f1j s GLU 557 Ca 0.14 1.43 0.02 0.00 -2.50 0.00 0.00 54.97 54.06 1f1j s GLU 557 Cb -0.10 -2.05 0.66 0.00 0.00 0.00 0.00 34.13 32.64 1f1j s GLU 557 CO 0.06 -0.65 1.69 0.97 0.02 0.00 0.00 175.26 177.35 1f1j h ILE 558 N 1.24 0.49 -0.82 -3.70 6.09 -1.63 -0.76 117.51 118.42 1f1j h ILE 558 Ca -0.49 -0.13 -0.03 0.00 -1.37 0.00 0.00 64.86 62.84 1f1j h ILE 558 Cb 1.24 0.08 -0.04 0.00 0.47 0.00 0.00 36.82 38.57 1f1j h ILE 558 CO 0.58 0.07 0.41 0.24 -3.07 0.00 0.00 178.15 176.37 1f1j h MET 559 N 0.37 1.17 -0.41 2.19 2.86 -1.92 -0.50 114.93 118.68 1f1j h MET 559 Ca 0.52 -0.16 -0.07 0.00 -2.06 0.00 0.00 59.70 57.93 1f1j h MET 559 Cb 0.97 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.39 1f1j h MET 559 CO -0.53 0.89 -0.03 1.96 1.06 0.00 0.00 176.91 180.26 1f1j h GLN 560 N 1.16 0.68 0.21 1.72 4.20 -1.53 0.21 115.11 121.77 1f1j h GLN 560 Ca 0.28 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1f1j h GLN 560 Cb 0.10 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1f1j h GLN 560 CO -0.04 0.72 -0.10 0.82 -0.67 0.00 0.00 178.83 179.56 1f1j h ILE 561 N 0.64 0.88 -0.33 2.54 2.04 -0.88 -2.31 117.51 120.09 1f1j h ILE 561 Ca 0.12 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 1f1j h ILE 561 Cb 0.45 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 1f1j h ILE 561 CO 0.02 0.15 0.10 -0.07 0.00 0.00 0.00 178.15 178.35 1f1j h LEU 562 N -0.64 0.42 -0.47 1.44 3.38 -0.87 0.53 115.31 119.11 1f1j h LEU 562 Ca -0.03 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1f1j h LEU 562 Cb 0.46 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1f1j h LEU 562 CO 0.05 0.41 -0.07 0.74 0.09 0.00 0.00 178.44 179.66 1f1j h THR 563 N 0.47 1.27 -0.18 0.22 2.02 -0.60 0.15 112.91 116.26 1f1j h THR 563 Ca 0.11 -1.18 -0.06 0.00 0.77 0.00 0.00 66.41 66.05 1f1j h THR 563 Cb 0.15 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1f1j h THR 563 CO -0.01 0.41 -0.14 0.03 0.37 0.00 0.00 175.52 176.18 1f1j h ARG 564 N 0.73 0.30 -0.35 6.66 3.08 -0.64 -0.41 114.38 123.75 1f1j h ARG 564 Ca 0.12 -0.07 -0.17 0.00 0.07 0.00 0.00 59.98 59.93 1f1j h ARG 564 Cb 0.61 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.62 1f1j h ARG 564 CO 0.04 0.44 -0.44 0.28 -1.07 0.00 0.00 179.97 179.22 1f1j h VAL 565 N 0.28 1.27 -0.22 2.04 2.07 -0.44 -1.84 116.25 119.40 1f1j h VAL 565 Ca 0.06 -1.61 0.03 0.00 0.82 0.00 0.00 66.70 65.99 1f1j h VAL 565 Cb 0.42 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1f1j h VAL 565 CO 0.02 0.54 0.06 0.78 0.02 0.00 0.00 177.57 178.99 1f1j h ASN 566 N 0.72 0.05 0.35 0.57 2.35 0.42 -1.36 115.58 118.68 1f1j h ASN 566 Ca 0.04 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 1f1j h ASN 566 Cb 1.04 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.43 1f1j h ASN 566 CO 0.10 0.06 -0.19 -0.78 -1.65 0.00 0.00 177.43 174.97 1f1j h ASP 567 N 0.16 0.00 0.02 5.81 3.58 -1.05 -1.72 116.42 123.22 1f1j h ASP 567 Ca 0.10 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.51 1f1j h ASP 567 Cb 0.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.14 1f1j h ASP 567 CO -0.12 0.19 -0.15 -0.09 -2.88 0.00 0.00 179.24 176.19 1f1j h ARG 568 N 0.00 0.07 -0.32 0.28 2.43 -0.76 -1.83 114.38 114.25 1f1j h ARG 568 Ca -0.00 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 1f1j h ARG 568 Cb 0.42 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1f1j h ARG 568 CO 0.02 0.97 0.17 0.28 -1.51 0.00 0.00 179.97 179.90 1f1j h VAL 569 N -0.77 1.14 0.17 0.20 2.07 -1.25 0.87 116.25 118.66 1f1j h VAL 569 Ca -0.02 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1f1j h VAL 569 Cb 1.03 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1f1j h VAL 569 CO 0.03 0.14 -0.08 0.00 0.02 0.00 0.00 177.57 177.68 1f1j h ALA 570 N 1.04 -0.22 0.00 1.67 0.00 -1.32 -3.05 119.26 117.37 1f1j h ALA 570 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1f1j h ALA 570 Cb 0.07 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1f1j h ALA 570 CO -0.02 -0.55 -0.18 0.54 0.00 0.00 0.00 179.25 179.04 1f1j n ARG 571 N -5.12 0.05 0.00 0.00 1.74 -0.69 -4.34 116.66 108.30 1f1j n ARG 571 Ca -0.09 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1f1j n ARG 571 Cb 0.16 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 1f1j n ARG 571 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1f1j n HIS 572 N -1.62 0.00 -4.29 -1.55 8.25 0.29 -5.04 115.22 111.26 1f1j n HIS 572 Ca 0.06 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.30 1f1j n HIS 572 Cb 0.35 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.35 1f1j n HIS 572 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1f1j s PHE 573 N -0.00 1.75 -0.30 4.41 0.40 -1.16 -5.04 117.98 118.05 1f1j s PHE 573 Ca 0.00 -0.44 -0.08 0.00 -0.60 0.00 0.00 56.93 55.80 1f1j s PHE 573 Cb 0.00 -0.93 0.17 0.00 0.51 0.00 0.00 43.02 42.77 1f1j s PHE 573 CO 0.00 0.24 0.81 -2.00 0.70 0.00 0.00 175.22 174.96 1f1j s GLU 574 N -2.25 0.41 0.44 0.44 2.12 -1.26 -4.71 118.70 113.89 1f1j s GLU 574 Ca 0.09 0.82 -0.23 0.00 0.36 0.00 0.00 54.97 56.02 1f1j s GLU 574 Cb -0.08 0.47 -0.11 0.00 0.26 0.00 0.00 34.13 34.67 1f1j s GLU 574 CO 0.05 -0.35 0.83 -1.13 -0.54 0.00 0.00 175.26 174.12 1f1j n SER 575 N 5.37 0.42 -4.25 -1.70 3.41 -0.46 -4.77 113.62 111.64 1f1j n SER 575 Ca -0.06 0.96 -0.32 0.00 -0.26 0.00 0.00 58.87 59.20 1f1j n SER 575 Cb 0.52 -1.27 -0.17 0.00 -0.26 0.00 0.00 64.21 63.03 1f1j n SER 575 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1f1j s GLN 576 N -1.93 3.01 -0.08 4.33 -0.44 -1.26 -0.05 119.66 123.24 1f1j s GLN 576 Ca 0.65 -0.86 -0.30 0.00 -2.50 0.00 0.00 55.36 52.34 1f1j s GLN 576 Cb -0.56 -2.32 0.07 0.00 -1.64 0.00 0.00 33.01 28.57 1f1j s GLN 576 CO 0.56 0.22 0.71 0.45 0.50 0.00 0.00 175.29 177.73 1f1j s SER 577 N 0.26 -0.64 0.04 6.67 0.15 -1.26 -4.92 113.70 113.99 1f1j s SER 577 Ca -0.16 0.75 -0.20 0.00 0.70 0.00 0.00 55.95 57.04 1f1j s SER 577 Cb -0.17 0.60 -0.15 0.00 -1.71 0.00 0.00 66.02 64.59 1f1j s SER 577 CO 0.08 -0.56 1.33 0.44 1.20 0.00 0.00 173.24 175.73 1f1j h ASP 578 N 3.13 0.39 -2.54 5.45 3.32 -1.99 -3.41 116.42 120.76 1f1j h ASP 578 Ca -0.27 -0.50 -0.57 0.00 0.02 0.00 0.00 57.03 55.72 1f1j h ASP 578 Cb 1.14 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 1f1j h ASP 578 CO 0.36 0.81 1.27 -0.62 -1.72 0.00 0.00 179.24 179.33 1f1j s ASP 579 N -6.16 6.02 0.60 6.45 -1.08 -1.26 -4.82 116.67 116.42 1f1j s ASP 579 Ca -0.14 1.65 0.30 0.00 -0.52 0.00 0.00 52.55 53.84 1f1j s ASP 579 Cb 0.05 -2.53 1.76 0.00 -1.46 0.00 0.00 42.92 40.74 1f1j s ASP 579 CO 0.76 -1.55 2.14 1.55 0.52 0.00 0.00 175.17 178.59 1f1j h PRO 580 N 12.39 0.00 0.00 4.34 0.13 -1.95 0.76 132.00 147.67 1f1j h PRO 580 Ca -0.37 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.73 1f1j h PRO 580 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1f1j h PRO 580 CO 1.00 0.00 -0.16 1.25 -0.23 0.00 0.00 178.00 179.86 1f1j h HIS 581 N 0.00 0.00 -0.21 1.56 6.17 -1.94 -2.61 115.15 118.12 1f1j h HIS 581 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.14 1f1j h HIS 581 Cb 0.37 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.30 1f1j h HIS 581 CO 0.00 0.16 0.00 1.19 0.71 0.00 0.00 177.93 179.99 1f1j n PHE 582 N -3.92 0.34 -3.47 5.26 3.72 0.20 -5.00 117.46 114.59 1f1j n PHE 582 Ca -0.02 -0.56 -0.37 0.00 -0.05 0.00 0.00 57.45 56.44 1f1j n PHE 582 Cb 0.25 -0.07 -0.06 0.00 -0.94 0.00 0.00 39.48 38.66 1f1j n PHE 582 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1f1j s HIS 583 N -1.28 3.70 -1.44 1.38 2.46 -0.84 -4.33 115.29 114.95 1f1j s HIS 583 Ca 0.18 1.00 0.00 0.00 0.47 0.00 0.00 55.06 56.72 1f1j s HIS 583 Cb 0.11 -2.30 0.00 0.00 -0.13 0.00 0.00 32.58 30.26 1f1j s HIS 583 CO 0.09 0.60 0.00 0.39 -2.47 0.00 0.00 174.74 173.35 1f1j n GLU 584 N 1.56 -0.95 -1.60 2.88 1.02 0.92 -4.96 120.64 119.50 1f1j n GLU 584 Ca -0.12 0.97 -0.30 0.00 -0.02 0.00 0.00 57.16 57.69 1f1j n GLU 584 Cb 0.52 -5.05 0.08 0.00 -0.02 0.00 0.00 31.44 26.96 1f1j n GLU 584 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1f1j s LYS 585 N -3.22 2.39 0.39 3.49 -0.14 -1.26 -4.64 119.74 116.76 1f1j s LYS 585 Ca 0.00 0.70 0.05 0.00 -1.36 0.00 0.00 55.97 55.36 1f1j s LYS 585 Cb 0.00 -1.95 -0.07 0.00 -1.68 0.00 0.00 37.83 34.13 1f1j s LYS 585 CO 0.00 -1.42 0.03 0.15 -0.76 0.00 0.00 175.35 173.35 1f1j s LYS 586 N -5.15 1.89 -0.02 1.68 -0.14 0.13 -1.35 119.74 116.78 1f1j s LYS 586 Ca 0.60 -2.08 -0.12 0.00 -1.36 0.00 0.00 55.97 53.01 1f1j s LYS 586 Cb -0.14 -1.38 0.02 0.00 -1.68 0.00 0.00 37.83 34.65 1f1j s LYS 586 CO 0.54 -0.13 0.25 -1.14 -0.76 0.00 0.00 175.35 174.11 1f1j s GLN 587 N -3.78 0.56 -0.06 1.68 0.74 -1.26 -4.07 119.66 113.47 1f1j s GLN 587 Ca 0.33 -0.20 -0.02 0.00 0.05 0.00 0.00 55.36 55.52 1f1j s GLN 587 Cb 0.09 0.25 0.04 0.00 1.10 0.00 0.00 33.01 34.48 1f1j s GLN 587 CO 0.16 -0.14 0.11 -1.50 -0.55 0.00 0.00 175.29 173.37 1f1j s ILE 588 N -1.17 -0.12 0.94 -2.34 1.10 -1.26 -3.41 121.20 114.94 1f1j s ILE 588 Ca -0.12 0.27 -0.12 0.00 -0.51 0.00 0.00 60.65 60.17 1f1j s ILE 588 Cb -0.06 -0.21 0.15 0.00 0.15 0.00 0.00 42.46 42.50 1f1j s ILE 588 CO 0.03 0.11 1.10 -2.84 -2.11 0.00 0.00 174.94 171.23 1f1j s PRO 589 N 1.60 0.93 -0.14 3.50 0.02 -1.22 -2.77 135.00 136.92 1f1j s PRO 589 Ca -0.04 0.55 -0.03 0.00 0.02 0.00 0.00 61.00 61.51 1f1j s PRO 589 Cb -0.12 -1.79 0.05 0.00 0.02 0.00 0.00 34.50 32.66 1f1j s PRO 589 CO -0.05 -2.40 0.04 0.00 -0.33 0.00 0.00 177.00 174.27 1f1j s VAL 591 N 2.00 5.18 -0.26 0.00 1.01 -1.26 -1.44 120.40 125.64 1f1j s VAL 591 Ca 0.02 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 1f1j s VAL 591 Cb -0.15 -3.39 0.03 0.00 0.00 0.00 0.00 36.38 32.87 1f1j s VAL 591 CO -0.07 0.39 -0.04 -0.69 0.00 0.00 0.00 175.10 174.69 1f1j s VAL 592 N 0.82 2.98 -0.16 2.92 1.01 0.86 -4.99 120.40 123.85 1f1j s VAL 592 Ca 0.07 -1.05 -0.02 0.00 0.00 0.00 0.00 61.98 60.98 1f1j s VAL 592 Cb -0.13 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 1f1j s VAL 592 CO 0.02 0.14 -0.09 -0.55 0.00 0.00 0.00 175.10 174.63 1f1j s SER 593 N 1.33 4.29 -0.05 3.32 0.15 -1.26 -1.14 113.70 120.34 1f1j s SER 593 Ca -0.00 -0.29 0.09 0.00 0.70 0.00 0.00 55.95 56.45 1f1j s SER 593 Cb -0.17 -1.69 0.25 0.00 -1.71 0.00 0.00 66.02 62.70 1f1j s SER 593 CO -0.03 0.13 1.19 0.23 1.20 0.00 0.00 173.24 175.95 1f1j n MET 594 N 3.80 2.73 -2.26 5.44 2.81 0.21 -5.01 117.12 124.84 1f1j n MET 594 Ca -0.18 -2.08 -0.40 0.00 -1.81 0.00 0.00 57.70 53.23 1f1j n MET 594 Cb 0.52 -1.31 -0.03 0.00 -0.71 0.00 0.00 33.22 31.70 1f1j n MET 594 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1f1j s LEU 595 N -1.54 4.38 0.00 4.03 1.43 -1.14 -0.76 118.68 125.08 1f1j s LEU 595 Ca 0.20 2.48 0.19 0.00 -1.03 0.00 0.00 54.13 55.97 1f1j s LEU 595 Cb 0.14 -3.76 -0.06 0.00 0.03 0.00 0.00 46.19 42.53 1f1j s LEU 595 CO 0.08 -0.49 0.90 0.35 0.23 0.00 0.00 176.35 177.42 1f1j n THR 596 N 0.66 0.00 -4.10 5.49 -2.24 -1.26 -4.90 114.28 107.93 1f1j n THR 596 Ca 0.01 -0.23 -0.10 0.00 -2.27 0.00 0.00 64.05 61.45 1f1j n THR 596 Cb 0.44 1.16 -0.08 0.00 -2.10 0.00 0.00 70.33 69.74 1f1j n THR 596 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1f1j s LYS 597 N -2.32 1.21 0.30 -0.78 -0.14 -1.26 -5.01 119.74 111.73 1f1j s LYS 597 Ca 0.13 -1.42 -0.28 0.00 -1.36 0.00 0.00 55.97 53.04 1f1j s LYS 597 Cb 0.15 0.33 -0.09 0.00 -1.68 0.00 0.00 37.83 36.53 1f1j s LYS 597 CO 0.56 -0.42 0.98 -1.21 -0.76 0.00 0.00 175.35 174.49 1f1j s GLU 598 N -4.07 4.64 -0.17 1.68 2.02 0.20 -4.75 118.70 118.26 1f1j s GLU 598 Ca 0.28 1.47 -0.02 0.00 0.02 0.00 0.00 54.97 56.73 1f1j s GLU 598 Cb 0.05 -2.99 -0.01 0.00 0.10 0.00 0.00 34.13 31.27 1f1j s GLU 598 CO 0.07 0.31 -0.10 -1.17 0.02 0.00 0.00 175.26 174.39 1f1j s LEU 599 N -1.73 2.78 -0.05 1.80 2.96 -1.26 -0.06 118.68 123.13 1f1j s LEU 599 Ca 0.47 -0.36 0.04 0.00 -0.22 0.00 0.00 54.13 54.07 1f1j s LEU 599 Cb -0.23 -1.66 -0.00 0.00 0.50 0.00 0.00 46.19 44.79 1f1j s LEU 599 CO 0.29 0.09 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.92 1f1j s TYR 600 N 0.82 1.80 -1.08 5.38 2.02 -1.26 -1.38 117.35 123.65 1f1j s TYR 600 Ca -0.03 -0.53 0.28 0.00 -0.37 0.00 0.00 57.07 56.42 1f1j s TYR 600 Cb -0.15 -1.21 1.10 0.00 -0.40 0.00 0.00 41.96 41.29 1f1j s TYR 600 CO 0.01 -0.18 1.82 1.19 -1.57 0.00 0.00 175.55 176.82 1f1j n PHE 601 N 3.14 0.00 1.25 2.71 3.72 -1.26 -4.91 117.46 122.12 1f1j n PHE 601 Ca -0.18 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.35 1f1j n PHE 601 Cb 0.53 -0.41 0.31 0.00 -0.94 0.00 0.00 39.48 38.97 1f1j n PHE 601 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58