#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f9k h MET 348 N 0.00 0.32 -0.99 -1.46 4.05 -2.03 -2.76 114.93 112.07 3f9k h MET 348 Ca 0.00 -0.54 0.04 0.00 -0.28 0.00 0.00 59.70 58.92 3f9k h MET 348 Cb 0.00 0.20 -0.06 0.00 -0.80 0.00 0.00 31.60 30.94 3f9k h MET 348 CO 0.00 1.22 0.65 -0.44 0.23 0.00 0.00 176.91 178.57 3f9k h ASP 349 N 0.09 1.07 0.89 1.39 5.19 -1.99 0.08 116.42 123.13 3f9k h ASP 349 Ca -0.21 -0.01 -0.23 0.00 -0.62 0.00 0.00 57.03 55.96 3f9k h ASP 349 Cb 2.03 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 41.27 3f9k h ASP 349 CO 0.20 0.73 -1.14 0.77 -3.12 0.00 0.00 179.24 176.69 3f9k h SER 350 N 1.24 0.04 -0.46 6.45 4.64 -2.00 -2.40 113.55 121.07 3f9k h SER 350 Ca 0.39 -0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.62 3f9k h SER 350 Cb 0.01 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 3f9k h SER 350 CO -0.12 1.04 0.14 -0.09 -0.87 0.00 0.00 176.83 176.93 3f9k h ARG 351 N 0.01 0.77 0.02 4.77 1.12 -1.14 -1.43 114.38 118.51 3f9k h ARG 351 Ca -0.07 -0.14 -0.21 0.00 -1.11 0.00 0.00 59.98 58.45 3f9k h ARG 351 Cb 1.83 -0.12 0.02 0.00 -0.01 0.00 0.00 29.97 31.68 3f9k h ARG 351 CO 0.13 0.69 -0.85 -0.07 -3.11 0.00 0.00 179.97 176.76 3f9k h LEU 352 N 0.75 0.71 -1.02 3.80 3.38 -1.00 -2.79 115.31 119.15 3f9k h LEU 352 Ca 0.17 -0.77 0.07 0.00 0.09 0.00 0.00 57.88 57.45 3f9k h LEU 352 Cb 0.25 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 3f9k h LEU 352 CO -0.01 1.39 0.65 1.56 0.09 0.00 0.00 178.44 182.12 3f9k h GLN 353 N 0.11 1.11 -0.46 1.13 4.20 -1.32 0.03 115.11 119.91 3f9k h GLN 353 Ca -0.11 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 3f9k h GLN 353 Cb 1.54 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 29.04 3f9k h GLN 353 CO 0.17 0.74 0.27 -0.09 -0.67 0.00 0.00 178.83 179.25 3f9k h ARG 354 N 1.15 0.62 -0.17 1.46 2.43 -1.26 -0.79 114.38 117.83 3f9k h ARG 354 Ca 0.44 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.54 3f9k h ARG 354 Cb 0.22 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3f9k h ARG 354 CO -0.19 0.46 0.04 0.82 -1.51 0.00 0.00 179.97 179.59 3f9k h ILE 355 N 0.61 1.21 -0.33 1.20 2.04 -1.08 -0.97 117.51 120.18 3f9k h ILE 355 Ca 0.16 -0.66 0.04 0.00 1.00 0.00 0.00 64.86 65.40 3f9k h ILE 355 Cb -0.00 1.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 3f9k h ILE 355 CO -0.03 0.20 0.09 -0.74 0.00 0.00 0.00 178.15 177.67 3f9k h HIS 356 N 0.07 0.15 -0.78 1.37 2.76 -0.89 -0.48 115.15 117.35 3f9k h HIS 356 Ca 0.05 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.29 3f9k h HIS 356 Cb 0.28 -0.02 -0.05 0.00 1.55 0.00 0.00 27.41 29.16 3f9k h HIS 356 CO 0.01 0.05 0.49 0.00 -1.30 0.00 0.00 177.93 177.18 3f9k h ALA 357 N 1.23 1.05 -0.35 5.26 0.00 -1.08 -1.47 119.26 123.90 3f9k h ALA 357 Ca 0.15 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.11 3f9k h ALA 357 Cb 0.15 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3f9k h ALA 357 CO -0.18 0.25 0.04 0.93 0.00 0.00 0.00 179.25 180.29 3f9k h GLU 358 N 0.92 0.15 0.34 0.00 4.39 -0.20 0.06 114.58 120.24 3f9k h GLU 358 Ca 0.33 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.01 3f9k h GLU 358 Cb 0.09 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3f9k h GLU 358 CO -0.14 0.10 -0.19 0.82 -1.16 0.00 0.00 179.01 178.43 3f9k h ILE 359 N 0.15 0.59 -0.50 3.13 2.04 -0.61 -2.58 117.51 119.73 3f9k h ILE 359 Ca 0.17 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.11 3f9k h ILE 359 Cb 0.21 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 36.82 3f9k h ILE 359 CO -0.25 0.00 0.12 0.11 0.00 0.00 0.00 178.15 178.14 3f9k h LYS 360 N -0.51 0.26 0.00 2.37 6.56 -1.07 -2.69 116.57 121.49 3f9k h LYS 360 Ca -0.04 -0.02 -0.03 0.00 -1.06 0.00 0.00 60.65 59.50 3f9k h LYS 360 Cb 0.41 -0.06 -0.00 0.00 -0.57 0.00 0.00 32.23 32.01 3f9k h LYS 360 CO 0.05 0.17 -0.16 -0.91 -2.06 0.00 0.00 179.45 176.55 3f9k h ASN 361 N 0.27 0.00 0.05 0.86 2.35 -0.84 -1.48 115.58 116.80 3f9k h ASN 361 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3f9k h ASN 361 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 3f9k h ASN 361 CO -0.30 0.16 -0.06 -1.54 -1.65 0.00 0.00 177.43 174.03 3f9k n SER 362 N -3.62 1.28 -0.00 5.81 3.41 -0.99 -3.85 113.62 115.67 3f9k n SER 362 Ca -0.01 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 3f9k n SER 362 Cb 0.28 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3f9k n SER 362 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3f9k n LEU 363 N -0.10 1.96 -4.78 1.04 4.77 -0.58 -0.94 117.00 118.37 3f9k n LEU 363 Ca 0.18 -1.97 -0.41 0.00 -0.03 0.00 0.00 56.01 53.78 3f9k n LEU 363 Cb 0.34 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3f9k n LEU 363 CO 0.19 0.49 1.16 -0.54 -1.33 0.00 0.00 177.39 177.36 3f9k s LYS 364 N -0.99 4.10 0.50 3.23 -0.14 -1.05 -4.89 119.74 120.51 3f9k s LYS 364 Ca 0.00 2.59 0.17 0.00 -1.36 0.00 0.00 55.97 57.38 3f9k s LYS 364 Cb 0.00 -2.97 1.24 0.00 -1.68 0.00 0.00 37.83 34.42 3f9k s LYS 364 CO 0.00 -0.57 2.10 0.82 -0.76 0.00 0.00 175.35 176.94 3f9k h ILE 365 N 3.04 0.98 -0.71 2.17 2.04 -1.95 -0.50 117.51 122.58 3f9k h ILE 365 Ca -0.50 -0.25 -0.34 0.00 1.00 0.00 0.00 64.86 64.77 3f9k h ILE 365 Cb 1.24 1.14 -0.20 0.00 -0.74 0.00 0.00 36.82 38.25 3f9k h ILE 365 CO 0.67 0.07 0.32 -0.90 0.00 0.00 0.00 178.15 178.31 3f9k n ASP 366 N -4.35 3.46 -2.68 1.72 5.75 -1.26 -4.60 116.55 114.59 3f9k n ASP 366 Ca -0.03 -3.59 -0.05 0.00 -0.01 0.00 0.00 54.79 51.11 3f9k n ASP 366 Cb 0.15 -0.74 0.08 0.00 -1.03 0.00 0.00 41.12 39.58 3f9k n ASP 366 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3f9k n ASN 367 N -0.98 -1.64 -4.65 -1.12 2.85 -0.21 -5.13 115.26 104.40 3f9k n ASN 367 Ca 0.46 -2.25 -0.43 0.00 -0.11 0.00 0.00 54.58 52.26 3f9k n ASN 367 Cb 1.38 1.15 -0.02 0.00 1.24 0.00 0.00 39.78 43.53 3f9k n ASN 367 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 3f9k s LEU 368 N -0.76 4.03 -0.59 1.20 2.96 -1.15 -3.98 118.68 120.40 3f9k s LEU 368 Ca 0.25 1.17 0.04 0.00 -0.22 0.00 0.00 54.13 55.37 3f9k s LEU 368 Cb 0.25 -3.47 0.16 0.00 0.50 0.00 0.00 46.19 43.62 3f9k s LEU 368 CO -0.14 -0.73 0.41 -0.62 -1.32 0.00 0.00 176.35 173.95 3f9k s ASP 369 N 1.42 3.79 0.21 3.68 3.68 -0.11 -4.99 116.67 124.34 3f9k s ASP 369 Ca 0.43 -3.47 -0.10 0.00 2.13 0.00 0.00 52.55 51.54 3f9k s ASP 369 Cb -0.14 -1.26 0.29 0.00 -1.45 0.00 0.00 42.92 40.37 3f9k s ASP 369 CO 0.10 -0.14 1.70 0.58 0.13 0.00 0.00 175.17 177.54 3f9k h VAL 370 N 4.62 0.61 -0.46 1.11 2.07 -1.94 -1.47 116.25 120.79 3f9k h VAL 370 Ca 0.15 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 3f9k h VAL 370 Cb 0.82 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3f9k h VAL 370 CO 0.60 0.04 0.18 0.78 0.02 0.00 0.00 177.57 179.19 3f9k h ASN 371 N 0.23 0.64 -0.92 0.57 -0.26 -1.95 -0.05 115.58 113.84 3f9k h ASN 371 Ca 0.32 -0.17 0.13 0.00 -0.56 0.00 0.00 56.30 56.01 3f9k h ASN 371 Cb 0.48 -0.17 -0.09 0.00 -1.06 0.00 0.00 38.32 37.48 3f9k h ASN 371 CO -0.42 0.64 0.53 -0.09 -1.06 0.00 0.00 177.43 177.03 3f9k h ARG 372 N 0.60 0.78 -0.14 0.81 2.43 -1.78 0.56 114.38 117.64 3f9k h ARG 372 Ca 0.15 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3f9k h ARG 372 Cb 0.20 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3f9k h ARG 372 CO -0.01 0.52 -0.02 0.00 -1.51 0.00 0.00 179.97 178.95 3f9k h ILE 374 N -0.02 1.16 -0.66 0.00 2.04 -0.39 -0.94 117.51 118.70 3f9k h ILE 374 Ca 0.04 -0.44 0.09 0.00 1.00 0.00 0.00 64.86 65.55 3f9k h ILE 374 Cb 0.41 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 37.16 3f9k h ILE 374 CO 0.01 0.17 0.28 -0.33 0.00 0.00 0.00 178.15 178.29 3f9k h GLU 375 N 0.49 0.48 -0.84 2.37 5.08 -0.94 0.21 114.58 121.43 3f9k h GLU 375 Ca 0.13 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3f9k h GLU 375 Cb 0.09 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 3f9k h GLU 375 CO -0.02 0.32 0.46 0.00 -1.00 0.00 0.00 179.01 178.77 3f9k h ALA 376 N 1.43 1.08 -0.57 3.43 0.00 -1.04 -0.77 119.26 122.83 3f9k h ALA 376 Ca 0.33 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3f9k h ALA 376 Cb 0.38 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3f9k h ALA 376 CO -0.29 0.59 0.09 -0.07 0.00 0.00 0.00 179.25 179.56 3f9k h LEU 377 N 1.18 0.91 -0.67 0.00 3.38 0.03 -2.35 115.31 117.79 3f9k h LEU 377 Ca 0.30 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3f9k h LEU 377 Cb 0.03 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3f9k h LEU 377 CO -0.05 0.95 0.24 0.44 0.09 0.00 0.00 178.44 180.11 3f9k h ASP 378 N 0.85 0.95 0.04 -0.43 3.32 -0.26 -0.93 116.42 119.96 3f9k h ASP 378 Ca 0.17 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3f9k h ASP 378 Cb 0.43 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 3f9k h ASP 378 CO 0.01 0.88 -0.04 -0.08 -1.72 0.00 0.00 179.24 178.30 3f9k h GLU 379 N 0.97 -0.08 -0.57 3.56 4.81 -1.04 -2.34 114.58 119.88 3f9k h GLU 379 Ca 0.22 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.49 3f9k h GLU 379 Cb 0.25 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 3f9k h GLU 379 CO -0.01 -0.06 0.38 1.25 -0.73 0.00 0.00 179.01 179.84 3f9k h LEU 380 N -0.09 0.56 -1.15 1.64 5.85 -1.25 -0.62 115.31 120.26 3f9k h LEU 380 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3f9k h LEU 380 Cb 0.08 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3f9k h LEU 380 CO -0.01 0.39 0.00 0.00 -0.34 0.00 0.00 178.44 178.48 3f9k h ALA 381 N 1.67 1.00 -0.50 1.25 0.00 -0.66 -2.42 119.26 119.59 3f9k h ALA 381 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3f9k h ALA 381 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3f9k h ALA 381 CO -0.06 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.06 3f9k n SER 382 N -2.59 3.36 -4.90 0.00 3.41 -0.26 -4.98 113.62 107.66 3f9k n SER 382 Ca 0.01 -1.98 -0.34 0.00 -0.26 0.00 0.00 58.87 56.30 3f9k n SER 382 Cb 0.23 -0.33 -0.05 0.00 -0.26 0.00 0.00 64.21 63.80 3f9k n SER 382 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3f9k s LEU 383 N -1.03 4.37 -0.70 1.04 1.43 -0.91 -5.05 118.68 117.82 3f9k s LEU 383 Ca 0.35 0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 53.76 3f9k s LEU 383 Cb 0.18 -2.59 0.18 0.00 0.03 0.00 0.00 46.19 44.00 3f9k s LEU 383 CO 0.24 0.27 0.61 -1.58 0.23 0.00 0.00 176.35 176.13 3f9k s GLN 384 N -1.80 3.19 -0.23 1.70 2.00 -1.26 -5.03 119.66 118.22 3f9k s GLN 384 Ca 0.26 -2.25 -0.20 0.00 -2.00 0.00 0.00 55.36 51.17 3f9k s GLN 384 Cb -0.13 -4.23 -0.02 0.00 0.80 0.00 0.00 33.01 29.43 3f9k s GLN 384 CO 0.16 -1.27 0.62 0.08 -0.50 0.00 0.00 175.29 174.39 3f9k s VAL 385 N 0.54 5.01 0.55 1.34 1.01 -1.26 -5.06 120.40 122.53 3f9k s VAL 385 Ca 0.13 1.14 -0.18 0.00 0.00 0.00 0.00 61.98 63.07 3f9k s VAL 385 Cb -0.17 -3.93 -0.06 0.00 0.00 0.00 0.00 36.38 32.22 3f9k s VAL 385 CO -0.05 0.07 1.05 0.42 0.00 0.00 0.00 175.10 176.59 3f9k s THR 386 N 2.24 3.76 0.54 3.92 -4.23 -1.26 -4.86 115.64 115.75 3f9k s THR 386 Ca 0.27 0.95 0.21 0.00 -1.18 0.00 0.00 61.69 61.94 3f9k s THR 386 Cb -0.16 -3.40 0.31 0.00 1.34 0.00 0.00 72.50 70.59 3f9k s THR 386 CO 0.09 -0.38 2.13 -0.03 -0.54 0.00 0.00 174.62 175.90 3f9k h MET 387 N 0.94 0.00 0.00 3.99 4.05 -1.97 0.32 114.93 122.25 3f9k h MET 387 Ca -0.48 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 58.86 3f9k h MET 387 Cb 1.22 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.01 3f9k h MET 387 CO 0.58 0.00 -0.38 -0.56 0.23 0.00 0.00 176.91 176.78 3f9k h GLN 388 N 0.00 0.00 0.02 0.39 -0.00 -2.00 -2.68 115.11 110.84 3f9k h GLN 388 Ca 0.05 0.00 -0.27 0.00 -0.00 0.00 0.00 58.65 58.43 3f9k h GLN 388 Cb 0.22 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.66 3f9k h GLN 388 CO -0.00 0.38 -1.45 1.96 -0.00 0.00 0.00 178.83 179.72 3f9k h GLN 389 N 0.00 0.05 -0.58 0.06 4.20 -1.34 -3.31 115.11 114.19 3f9k h GLN 389 Ca -0.00 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 3f9k h GLN 389 Cb 0.75 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 3f9k h GLN 389 CO 0.05 0.78 0.10 0.00 -0.67 0.00 0.00 178.83 179.09 3f9k h ALA 390 N 0.89 0.77 0.00 3.87 0.00 -1.23 -2.79 119.26 120.77 3f9k h ALA 390 Ca -0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3f9k h ALA 390 Cb 1.93 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 3f9k h ALA 390 CO 0.11 0.52 -0.09 1.96 0.00 0.00 0.00 179.25 181.75 3f9k h GLN 391 N 0.86 0.00 -0.03 0.00 4.20 -1.61 -1.73 115.11 116.79 3f9k h GLN 391 Ca 0.18 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.74 3f9k h GLN 391 Cb 0.42 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3f9k h GLN 391 CO 0.01 0.09 -0.66 -0.22 -0.67 0.00 0.00 178.83 177.39 3f9k h LYS 392 N 0.00 0.15 -1.79 1.46 3.11 -1.58 -3.35 116.57 114.56 3f9k h LYS 392 Ca -0.00 -0.11 -0.66 0.00 -2.81 0.00 0.00 60.65 57.07 3f9k h LYS 392 Cb 0.54 0.02 -0.36 0.00 -1.00 0.00 0.00 32.23 31.42 3f9k h LYS 392 CO 0.01 0.75 -0.06 0.72 -2.81 0.00 0.00 179.45 178.07 3f9k n HIS 393 N -3.81 3.31 0.11 1.91 8.25 -0.65 -4.75 115.22 119.59 3f9k n HIS 393 Ca -0.02 -2.93 -0.02 0.00 -0.26 0.00 0.00 57.72 54.49 3f9k n HIS 393 Cb 0.65 -0.53 0.21 0.00 1.12 0.00 0.00 29.99 31.43 3f9k n HIS 393 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 3f9k h THR 394 N 2.42 1.34 -0.89 1.59 1.35 -1.70 -2.85 112.91 114.17 3f9k h THR 394 Ca 0.38 -1.68 0.07 0.00 -0.55 0.00 0.00 66.41 64.64 3f9k h THR 394 Cb 0.56 1.81 -0.06 0.00 -1.73 0.00 0.00 68.15 68.74 3f9k h THR 394 CO 1.05 0.49 0.58 -0.33 -0.25 0.00 0.00 175.52 177.06 3f9k h GLU 395 N 0.15 0.95 -0.43 4.72 5.08 -1.92 -0.76 114.58 122.37 3f9k h GLU 395 Ca 0.01 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 3f9k h GLU 395 Cb 0.90 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 3f9k h GLU 395 CO 0.07 0.63 -0.01 1.98 -1.00 0.00 0.00 179.01 180.68 3f9k h MET 396 N 0.98 0.77 -0.63 2.33 4.05 -1.90 -1.42 114.93 119.11 3f9k h MET 396 Ca 0.39 -0.25 0.08 0.00 -0.28 0.00 0.00 59.70 59.64 3f9k h MET 396 Cb 0.24 -0.07 -0.07 0.00 -0.80 0.00 0.00 31.60 30.91 3f9k h MET 396 CO -0.15 0.85 0.29 0.82 0.23 0.00 0.00 176.91 178.95 3f9k h ILE 397 N 0.61 0.84 -0.14 1.77 2.04 -1.16 -0.25 117.51 121.22 3f9k h ILE 397 Ca 0.12 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.84 3f9k h ILE 397 Cb 0.51 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 3f9k h ILE 397 CO 0.02 0.09 -0.10 0.74 0.00 0.00 0.00 178.15 178.91 3f9k h THR 398 N 0.51 0.70 -0.84 -0.27 2.02 -0.91 -0.04 112.91 114.08 3f9k h THR 398 Ca 0.31 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.60 3f9k h THR 398 Cb 0.32 0.70 -0.08 0.00 -1.74 0.00 0.00 68.15 67.35 3f9k h THR 398 CO -0.26 0.00 0.47 0.74 0.37 0.00 0.00 175.52 176.84 3f9k h THR 399 N -0.11 0.85 0.09 3.16 2.02 -0.41 0.35 112.91 118.86 3f9k h THR 399 Ca 0.09 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3f9k h THR 399 Cb 0.24 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.68 3f9k h THR 399 CO -0.21 0.14 -0.08 -0.07 0.37 0.00 0.00 175.52 175.67 3f9k h LEU 400 N 0.74 -0.20 -0.73 2.58 3.38 -0.51 -1.23 115.31 119.34 3f9k h LEU 400 Ca 0.42 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.51 3f9k h LEU 400 Cb 0.47 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 3f9k h LEU 400 CO -0.29 -0.12 0.37 0.50 0.09 0.00 0.00 178.44 178.99 3f9k h LYS 401 N -0.18 0.60 0.00 1.13 3.64 0.26 -2.66 116.57 119.37 3f9k h LYS 401 Ca 0.00 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3f9k h LYS 401 Cb 0.17 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3f9k h LYS 401 CO -0.02 0.40 -0.00 -0.22 -2.27 0.00 0.00 179.45 177.34 3f9k h LYS 402 N 0.62 -0.01 0.00 1.90 3.64 0.05 -3.08 116.57 119.70 3f9k h LYS 402 Ca 0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3f9k h LYS 402 Cb 0.39 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3f9k h LYS 402 CO -0.27 0.01 0.00 0.44 -2.27 0.00 0.00 179.45 177.36 3f9k n ILE 403 N -5.09 0.00 0.31 2.00 -5.35 -0.50 -2.68 119.36 108.05 3f9k n ILE 403 Ca -0.07 0.00 0.18 0.00 -0.27 0.00 0.00 62.75 62.59 3f9k n ILE 403 Cb 0.04 -0.54 0.96 0.00 -1.74 0.00 0.00 39.64 38.36 3f9k n ILE 403 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 3f9k h ARG 404 N 0.00 0.00 -0.28 6.28 3.08 -1.41 -1.87 114.38 120.17 3f9k h ARG 404 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3f9k h ARG 404 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3f9k h ARG 404 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.44 3f9k n ARG 405 N -3.14 2.85 -2.25 0.04 1.74 -1.09 -4.76 116.66 110.05 3f9k n ARG 405 Ca -0.01 -2.28 -0.34 0.00 -0.77 0.00 0.00 57.85 54.44 3f9k n ARG 405 Cb 0.27 -1.44 -0.04 0.00 -1.02 0.00 0.00 32.46 30.23 3f9k n ARG 405 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3f9k n PHE 406 N 0.06 3.49 0.27 -1.55 7.35 -0.70 -4.75 117.46 121.63 3f9k n PHE 406 Ca 0.14 -2.02 0.17 0.00 -0.76 0.00 0.00 57.45 54.98 3f9k n PHE 406 Cb 0.57 -2.62 0.91 0.00 0.35 0.00 0.00 39.48 38.68 3f9k n PHE 406 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 3f9k h LYS 407 N 8.81 0.00 -0.76 -4.13 1.63 -1.89 -1.88 116.57 118.36 3f9k h LYS 407 Ca 0.31 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.11 3f9k h LYS 407 Cb 0.91 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.50 3f9k h LYS 407 CO 1.33 0.00 0.44 0.28 -3.45 0.00 0.00 179.45 178.05 3f9k h VAL 408 N 0.00 1.22 -3.47 2.00 2.07 -1.99 -3.39 116.25 112.69 3f9k h VAL 408 Ca 0.00 -0.50 -0.58 0.00 0.82 0.00 0.00 66.70 66.44 3f9k h VAL 408 Cb 0.16 0.16 -0.38 0.00 -1.52 0.00 0.00 31.29 29.71 3f9k h VAL 408 CO 0.00 0.23 -0.78 -0.55 0.02 0.00 0.00 177.57 176.49 3f9k s SER 409 N -6.36 3.37 0.24 0.57 0.15 -0.71 -5.00 113.70 105.97 3f9k s SER 409 Ca -0.11 -0.96 -0.04 0.00 0.70 0.00 0.00 55.95 55.54 3f9k s SER 409 Cb 0.17 -0.99 0.38 0.00 -1.71 0.00 0.00 66.02 63.87 3f9k s SER 409 CO 0.80 -0.23 1.82 1.56 1.20 0.00 0.00 173.24 178.38 3f9k h GLN 410 N 8.06 0.80 -0.29 5.44 1.08 -1.78 -1.70 115.11 126.71 3f9k h GLN 410 Ca -0.20 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 56.93 3f9k h GLN 410 Cb 1.09 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.33 3f9k h GLN 410 CO 0.40 0.53 0.10 0.28 -0.95 0.00 0.00 178.83 179.18 3f9k h VAL 411 N 0.83 1.20 -0.81 -0.54 2.07 -1.94 0.34 116.25 117.38 3f9k h VAL 411 Ca 0.39 -0.62 0.04 0.00 0.82 0.00 0.00 66.70 67.33 3f9k h VAL 411 Cb 0.33 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 3f9k h VAL 411 CO -0.23 0.21 0.52 0.40 0.02 0.00 0.00 177.57 178.48 3f9k h ILE 412 N 0.31 1.10 0.16 4.57 2.04 -1.83 0.36 117.51 124.21 3f9k h ILE 412 Ca 0.09 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 3f9k h ILE 412 Cb 0.23 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3f9k h ILE 412 CO -0.00 0.18 -0.07 0.24 0.00 0.00 0.00 178.15 178.49 3f9k h MET 413 N 0.99 -0.20 0.03 2.37 2.86 -1.01 -1.18 114.93 118.78 3f9k h MET 413 Ca 0.33 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 58.01 3f9k h MET 413 Cb 0.05 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 3f9k h MET 413 CO -0.13 -0.13 -0.19 1.49 1.06 0.00 0.00 176.91 179.02 3f9k h GLU 414 N -0.21 -0.31 -0.08 1.72 4.81 -0.38 -0.75 114.58 119.37 3f9k h GLU 414 Ca -0.02 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3f9k h GLU 414 Cb 0.17 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 3f9k h GLU 414 CO 0.04 -0.21 0.01 0.87 -0.73 0.00 0.00 179.01 178.98 3f9k h LYS 415 N -0.32 0.14 -0.38 1.92 1.57 -0.94 -2.36 116.57 116.19 3f9k h LYS 415 Ca 0.05 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3f9k h LYS 415 Cb 0.38 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3f9k h LYS 415 CO -0.15 0.38 0.01 0.66 -0.57 0.00 0.00 179.45 179.78 3f9k h SER 416 N -0.13 0.56 0.62 0.86 4.64 -1.16 0.10 113.55 119.04 3f9k h SER 416 Ca 0.02 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.20 3f9k h SER 416 Cb 0.32 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 62.27 3f9k h SER 416 CO 0.00 0.62 -0.30 0.74 -0.87 0.00 0.00 176.83 177.03 3f9k h THR 417 N 0.57 0.37 -0.48 2.95 2.02 -1.11 0.29 112.91 117.53 3f9k h THR 417 Ca 0.12 -0.09 0.10 0.00 0.77 0.00 0.00 66.41 67.31 3f9k h THR 417 Cb 0.34 0.41 -0.09 0.00 -1.74 0.00 0.00 68.15 67.07 3f9k h THR 417 CO 0.01 0.01 -0.11 -0.03 0.37 0.00 0.00 175.52 175.78 3f9k h MET 418 N -0.89 0.01 -0.24 6.66 -1.53 -1.12 -1.44 114.93 116.38 3f9k h MET 418 Ca -0.08 -0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.16 3f9k h MET 418 Cb 0.66 -0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.69 3f9k h MET 418 CO 0.14 0.01 0.08 1.25 0.14 0.00 0.00 176.91 178.52 3f9k h LEU 419 N 0.01 0.34 -0.54 3.39 5.85 -0.69 -2.35 115.31 121.33 3f9k h LEU 419 Ca 0.23 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.83 3f9k h LEU 419 Cb 0.35 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 3f9k h LEU 419 CO -0.48 0.45 0.18 0.22 -0.34 0.00 0.00 178.44 178.47 3f9k h TYR 420 N 0.22 0.31 -0.78 1.25 5.03 -0.68 -1.40 116.97 120.93 3f9k h TYR 420 Ca 0.08 0.03 0.16 0.00 2.58 0.00 0.00 58.73 61.57 3f9k h TYR 420 Cb 0.23 -0.06 -0.05 0.00 1.55 0.00 0.00 36.73 38.39 3f9k h TYR 420 CO 0.00 0.08 0.52 -0.91 -1.32 0.00 0.00 178.16 176.53 3f9k h ASN 421 N 0.35 0.38 0.68 -2.11 2.35 -0.87 -2.00 115.58 114.36 3f9k h ASN 421 Ca 0.26 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 56.01 3f9k h ASN 421 Cb 0.31 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.64 3f9k h ASN 421 CO -0.28 0.19 -0.33 0.50 -1.65 0.00 0.00 177.43 175.85 3f9k h LYS 422 N 0.40 -0.89 -0.17 0.81 3.64 -0.74 0.39 116.57 120.00 3f9k h LYS 422 Ca 0.38 0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.82 3f9k h LYS 422 Cb 0.92 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 3f9k h LYS 422 CO -0.12 -0.59 0.10 0.74 -2.27 0.00 0.00 179.45 177.30 3f9k h PHE 423 N -0.93 0.23 -0.65 1.91 0.04 -1.41 0.18 116.94 116.31 3f9k h PHE 423 Ca -0.09 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.81 3f9k h PHE 423 Cb 0.71 -0.07 -0.12 0.00 2.20 0.00 0.00 35.95 38.67 3f9k h PHE 423 CO -0.03 0.21 -0.08 -0.22 -0.60 0.00 0.00 178.31 177.59 3f9k h LYS 424 N 0.18 0.05 -0.19 1.51 3.64 -1.39 0.03 116.57 120.40 3f9k h LYS 424 Ca 0.06 -0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 3f9k h LYS 424 Cb 0.06 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3f9k h LYS 424 CO -0.01 0.03 -0.32 -0.97 -2.27 0.00 0.00 179.45 175.92 3f9k h ASN 425 N 0.05 0.39 1.62 4.20 -1.24 -0.18 -2.62 115.58 117.79 3f9k h ASN 425 Ca 0.33 -0.14 -0.04 0.00 0.71 0.00 0.00 56.30 57.15 3f9k h ASN 425 Cb 0.53 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.47 3f9k h ASN 425 CO -0.62 0.69 -0.39 0.00 -1.29 0.00 0.00 177.43 175.82 3f9k h MET 426 N 0.33 0.00 0.00 6.67 -0.00 0.66 -2.47 114.93 120.12 3f9k h MET 426 Ca 0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.65 3f9k h MET 426 Cb 0.72 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.31 3f9k h MET 426 CO 0.06 0.17 -0.43 0.74 -0.00 0.00 0.00 176.91 177.44 3f9k h PHE 427 N 0.00 0.00 0.00 -0.10 0.04 -0.99 -2.90 116.94 112.99 3f9k h PHE 427 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3f9k h PHE 427 Cb 1.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.30 3f9k h PHE 427 CO 0.00 0.43 0.00 -0.11 -0.60 0.00 0.00 178.31 178.03 3f9k n LEU 428 N -3.42 0.00 -0.00 1.54 7.94 -0.94 -2.69 117.00 119.42 3f9k n LEU 428 Ca 0.00 0.39 0.04 0.00 -1.11 0.00 0.00 56.01 55.34 3f9k n LEU 428 Cb 0.59 -0.39 -0.06 0.00 0.53 0.00 0.00 43.42 44.09 3f9k n LEU 428 CO 0.38 -0.09 -0.20 1.33 -1.11 0.00 0.00 177.39 177.70 3f9k n VAL 429 N -1.39 0.00 -2.09 1.96 0.24 -1.14 -4.99 118.33 110.92 3f9k n VAL 429 Ca 0.08 -0.26 -0.41 0.00 -2.04 0.00 0.00 64.34 61.71 3f9k n VAL 429 Cb 0.22 0.78 -0.02 0.00 -1.47 0.00 0.00 33.84 33.35 3f9k n VAL 429 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3f9k s GLY 430 N -2.23 2.56 0.00 7.63 0.00 -1.10 -4.96 107.32 109.23 3f9k s GLY 430 Ca 0.01 1.25 0.08 0.00 0.00 0.00 0.00 44.72 46.06 3f9k s GLY 430 CO 0.38 2.12 1.09 1.18 0.00 0.00 0.00 173.10 177.87 3f9k n GLU 431 N 1.94 2.34 0.00 2.90 -0.58 -1.26 -4.97 120.64 121.01 3f9k n GLU 431 Ca 0.05 -1.70 0.00 0.00 -0.42 0.00 0.00 57.16 55.08 3f9k n GLU 431 Cb 0.41 -1.18 0.00 0.00 -0.57 0.00 0.00 31.44 30.10 3f9k n GLU 431 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3f9k n GLY 432 N 0.27 0.66 0.92 0.62 0.00 -1.26 -5.05 105.19 101.35 3f9k n GLY 432 Ca 0.07 -1.56 0.04 0.00 0.00 0.00 0.00 46.02 44.57 3f9k n GLY 432 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3f9k n ASP 433 N 0.00 1.05 -4.79 1.61 8.00 -1.26 -4.78 116.55 116.38 3f9k n ASP 433 Ca 0.00 -2.51 -0.35 0.00 0.71 0.00 0.00 54.79 52.64 3f9k n ASP 433 Cb 0.00 -0.34 -0.03 0.00 -0.02 0.00 0.00 41.12 40.73 3f9k n ASP 433 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3f9k s SER 434 N -2.11 6.33 0.17 -2.24 1.04 -1.26 -4.75 113.70 110.87 3f9k s SER 434 Ca 0.27 2.03 -0.10 0.00 0.48 0.00 0.00 55.95 58.63 3f9k s SER 434 Cb 0.28 -2.57 0.22 0.00 0.10 0.00 0.00 66.02 64.05 3f9k s SER 434 CO -0.09 -0.80 1.07 1.33 0.98 0.00 0.00 173.24 175.74 3f9k n VAL 435 N -0.76 -0.34 0.03 5.02 0.24 -1.26 -0.33 118.33 120.94 3f9k n VAL 435 Ca 0.08 1.60 -0.13 0.00 -2.04 0.00 0.00 64.34 63.86 3f9k n VAL 435 Cb 0.51 -2.16 -0.09 0.00 -1.47 0.00 0.00 33.84 30.64 3f9k n VAL 435 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3f9k h LEU 436 N 0.00 -0.05 -1.19 1.34 4.07 -1.99 -1.29 115.31 116.21 3f9k h LEU 436 Ca 0.27 -0.26 0.08 0.00 0.08 0.00 0.00 57.88 58.06 3f9k h LEU 436 Cb 0.45 0.01 -0.06 0.00 1.08 0.00 0.00 40.66 42.14 3f9k h LEU 436 CO -0.69 0.23 0.58 -0.33 -1.08 0.00 0.00 178.44 177.14 3f9k h GLU 437 N -0.33 0.91 -0.72 1.13 5.08 -1.44 -2.01 114.58 117.21 3f9k h GLU 437 Ca -0.01 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3f9k h GLU 437 Cb 0.30 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3f9k h GLU 437 CO 0.01 0.60 0.24 0.28 -1.00 0.00 0.00 179.01 179.15 3f9k h VAL 438 N 0.94 1.25 0.00 3.13 2.07 -0.29 -3.17 116.25 120.19 3f9k h VAL 438 Ca 0.40 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3f9k h VAL 438 Cb 0.30 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3f9k h VAL 438 CO -0.16 0.34 -0.51 0.00 0.02 0.00 0.00 177.57 177.26 3f9k n LEU 439 N -4.26 0.60 -0.92 2.57 -0.00 -0.52 -5.09 117.00 109.37 3f9k n LEU 439 Ca 0.06 0.21 0.12 0.00 -0.00 0.00 0.00 56.01 56.40 3f9k n LEU 439 Cb 0.21 -0.23 0.13 0.00 -0.00 0.00 0.00 43.42 43.53 3f9k n LEU 439 CO 0.41 -0.01 0.65 0.49 -0.00 0.00 0.00 177.39 178.93