#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka4 s THR 341 N 0.00 0.00 -0.06 0.00 -1.32 -1.26 -4.74 115.64 108.26 2ka4 s THR 341 Ca 0.00 -1.00 -0.31 0.00 -1.21 0.00 0.00 61.69 59.16 2ka4 s THR 341 Cb 0.00 -2.66 0.12 0.00 -1.51 0.00 0.00 72.50 68.45 2ka4 s THR 341 CO 0.00 0.00 1.20 -0.83 -2.21 0.00 0.00 174.62 172.78 2ka4 s GLY 342 N -3.03 -0.36 0.58 6.08 0.00 -1.26 -5.03 107.32 104.30 2ka4 s GLY 342 Ca 0.14 0.98 -0.20 0.00 0.00 0.00 0.00 44.72 45.64 2ka4 s GLY 342 CO 0.10 0.27 1.28 2.56 0.00 0.00 0.00 173.10 177.31 2ka4 s PRO 343 N -2.55 2.96 0.00 2.90 0.04 -1.26 -2.47 135.00 134.62 2ka4 s PRO 343 Ca 0.12 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.18 2ka4 s PRO 343 Cb 0.02 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2ka4 s PRO 343 CO -0.04 -1.27 0.00 0.25 0.04 0.00 0.00 177.00 175.98 2ka4 n THR 344 N -1.43 0.00 -2.00 1.26 -2.24 -1.26 -4.62 114.28 104.00 2ka4 n THR 344 Ca 0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 2ka4 n THR 344 Cb 0.48 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 2ka4 n THR 344 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ka4 n ALA 345 N 0.66 1.99 -1.52 6.98 0.00 -1.19 -5.11 120.51 122.32 2ka4 n ALA 345 Ca 0.00 -0.82 -0.45 0.00 0.00 0.00 0.00 53.44 52.17 2ka4 n ALA 345 Cb 0.27 -0.41 -0.05 0.00 0.00 0.00 0.00 19.45 19.26 2ka4 n ALA 345 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2ka4 n ASP 346 N 0.00 2.51 -0.34 0.00 -0.08 -1.03 -4.60 116.55 113.00 2ka4 n ASP 346 Ca 0.00 0.17 0.01 0.00 -1.51 0.00 0.00 54.79 53.46 2ka4 n ASP 346 Cb 0.66 -1.41 0.15 0.00 2.34 0.00 0.00 41.12 42.86 2ka4 n ASP 346 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2ka4 h PRO 347 N 14.58 1.05 -0.17 -0.67 0.11 -1.89 -0.75 132.00 144.26 2ka4 h PRO 347 Ca -0.31 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 65.59 2ka4 h PRO 347 Cb 1.28 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2ka4 h PRO 347 CO 1.04 0.70 -0.46 1.49 -0.21 0.00 0.00 178.00 180.55 2ka4 h GLU 348 N 1.08 0.61 -0.38 1.05 4.81 -1.91 -2.03 114.58 117.81 2ka4 h GLU 348 Ca 0.40 -0.43 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2ka4 h GLU 348 Cb 0.14 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2ka4 h GLU 348 CO -0.16 1.05 0.19 -0.22 -0.73 0.00 0.00 179.01 179.13 2ka4 h LYS 349 N 0.27 0.54 -0.70 1.92 3.64 -1.94 -1.48 116.57 118.82 2ka4 h LYS 349 Ca -0.01 -0.08 0.13 0.00 -1.27 0.00 0.00 60.65 59.43 2ka4 h LYS 349 Cb 1.07 -0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.70 2ka4 h LYS 349 CO 0.10 0.48 0.23 -0.09 -2.27 0.00 0.00 179.45 177.90 2ka4 h ARG 350 N 0.48 0.36 -0.62 1.90 1.12 -1.12 -1.00 114.38 115.49 2ka4 h ARG 350 Ca 0.13 -0.02 -0.05 0.00 -1.11 0.00 0.00 59.98 58.93 2ka4 h ARG 350 Cb 0.11 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 29.96 2ka4 h ARG 350 CO -0.02 0.24 0.19 -0.22 -3.11 0.00 0.00 179.97 177.05 2ka4 h LYS 351 N 0.37 0.97 0.08 0.20 3.64 -0.95 -2.90 116.57 117.99 2ka4 h LYS 351 Ca 0.38 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2ka4 h LYS 351 Cb 0.57 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2ka4 h LYS 351 CO -0.41 0.86 -0.07 -0.07 -2.27 0.00 0.00 179.45 177.49 2ka4 h LEU 352 N 0.90 -0.18 -0.72 5.20 3.38 -0.14 -0.24 115.31 123.51 2ka4 h LEU 352 Ca 0.20 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 2ka4 h LEU 352 Cb 0.30 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2ka4 h LEU 352 CO -0.01 -0.11 0.38 0.16 0.09 0.00 0.00 178.44 178.96 2ka4 h ILE 353 N -0.16 1.22 -0.42 1.22 -2.65 -1.49 -1.90 117.51 113.33 2ka4 h ILE 353 Ca 0.00 -0.57 0.06 0.00 1.03 0.00 0.00 64.86 65.38 2ka4 h ILE 353 Cb 0.15 0.29 -0.05 0.00 -2.05 0.00 0.00 36.82 35.16 2ka4 h ILE 353 CO -0.01 0.25 0.10 1.56 0.03 0.00 0.00 178.15 180.08 2ka4 h GLN 354 N 0.99 0.24 -0.25 0.16 4.20 -1.28 -0.94 115.11 118.23 2ka4 h GLN 354 Ca 0.25 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.93 2ka4 h GLN 354 Cb 0.05 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2ka4 h GLN 354 CO -0.04 0.16 0.09 1.96 -0.67 0.00 0.00 178.83 180.33 2ka4 h GLN 355 N 0.24 0.38 -0.42 1.46 4.20 -0.74 -1.14 115.11 119.09 2ka4 h GLN 355 Ca 0.20 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 2ka4 h GLN 355 Cb 0.23 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 2ka4 h GLN 355 CO -0.25 0.44 0.13 0.37 -0.67 0.00 0.00 178.83 178.84 2ka4 h GLN 356 N 0.24 0.66 0.11 1.46 4.15 -1.21 -1.23 115.11 119.30 2ka4 h GLN 356 Ca 0.08 -0.14 0.02 0.00 0.77 0.00 0.00 58.65 59.38 2ka4 h GLN 356 Cb 0.21 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.77 2ka4 h GLN 356 CO -0.00 0.65 -0.31 1.25 -1.93 0.00 0.00 178.83 178.49 2ka4 h LEU 357 N 0.54 -0.90 -1.03 -2.39 6.46 -1.05 -2.11 115.31 114.83 2ka4 h LEU 357 Ca 0.14 0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 57.97 2ka4 h LEU 357 Cb 0.27 0.34 -0.03 0.00 -0.73 0.00 0.00 40.66 40.51 2ka4 h LEU 357 CO -0.00 -0.40 0.34 0.58 -0.62 0.00 0.00 178.44 178.34 2ka4 h VAL 358 N -0.53 1.23 -0.93 1.05 2.07 -1.19 -2.12 116.25 115.83 2ka4 h VAL 358 Ca 0.03 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 66.95 2ka4 h VAL 358 Cb 0.56 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 2ka4 h VAL 358 CO -0.19 0.27 0.61 -0.07 0.02 0.00 0.00 177.57 178.22 2ka4 h LEU 359 N 1.02 1.00 -0.30 2.57 3.38 -0.84 -0.00 115.31 122.13 2ka4 h LEU 359 Ca 0.25 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 2ka4 h LEU 359 Cb 0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2ka4 h LEU 359 CO -0.03 0.67 -0.08 -0.07 0.09 0.00 0.00 178.44 179.02 2ka4 h LEU 360 N 1.15 0.60 -0.95 1.67 3.38 -0.94 -1.43 115.31 118.79 2ka4 h LEU 360 Ca 0.38 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 58.03 2ka4 h LEU 360 Cb 0.06 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 2ka4 h LEU 360 CO -0.12 0.83 0.61 -0.07 0.09 0.00 0.00 178.44 179.78 2ka4 h LEU 361 N 0.36 0.99 0.77 1.67 3.38 -0.79 -0.17 115.31 121.51 2ka4 h LEU 361 Ca 0.08 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2ka4 h LEU 361 Cb 0.57 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.12 2ka4 h LEU 361 CO 0.03 0.65 -0.37 -0.74 0.09 0.00 0.00 178.44 178.10 2ka4 h HIS 362 N 1.14 -0.95 -0.92 1.13 2.76 -0.92 -3.27 115.15 114.11 2ka4 h HIS 362 Ca 0.40 -0.02 0.17 0.00 -2.20 0.00 0.00 60.37 58.71 2ka4 h HIS 362 Cb 0.10 0.32 -0.08 0.00 1.55 0.00 0.00 27.41 29.30 2ka4 h HIS 362 CO -0.01 -0.59 0.59 0.00 -1.30 0.00 0.00 177.93 176.61 2ka4 h ALA 363 N -1.33 1.91 0.60 5.26 0.00 -1.05 -0.42 119.26 124.22 2ka4 h ALA 363 Ca -0.11 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2ka4 h ALA 363 Cb 0.79 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2ka4 h ALA 363 CO 0.17 -0.19 -0.47 1.25 0.00 0.00 0.00 179.25 180.02 2ka4 h HIS 364 N 0.63 -1.26 -0.07 0.00 6.17 -1.09 0.06 115.15 119.58 2ka4 h HIS 364 Ca 0.48 -0.00 -0.13 0.00 0.71 0.00 0.00 60.37 61.43 2ka4 h HIS 364 Cb 0.88 0.47 -0.01 0.00 2.52 0.00 0.00 27.41 31.27 2ka4 h HIS 364 CO -0.00 -0.66 -0.54 1.57 0.71 0.00 0.00 177.93 179.01 2ka4 h LYS 365 N -1.04 0.21 -0.42 5.26 2.10 -1.56 -3.15 116.57 117.98 2ka4 h LYS 365 Ca -0.07 -0.13 -0.02 0.00 -2.00 0.00 0.00 60.65 58.43 2ka4 h LYS 365 Cb 0.87 0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 32.19 2ka4 h LYS 365 CO 0.01 0.70 0.19 0.00 -2.00 0.00 0.00 179.45 178.35 2ka4 h GLN 367 N 0.53 0.80 -0.46 0.00 -0.00 -0.96 0.78 115.11 115.80 2ka4 h GLN 367 Ca 0.14 -0.05 0.04 0.00 -0.00 0.00 0.00 58.65 58.79 2ka4 h GLN 367 Cb 0.13 -0.18 -0.04 0.00 0.00 0.00 0.00 27.48 27.39 2ka4 h GLN 367 CO -0.02 0.53 0.22 0.00 0.00 0.00 0.00 178.83 179.56 2ka4 h ARG 368 N 0.82 0.42 -0.18 1.69 2.47 -1.47 -0.63 114.38 117.50 2ka4 h ARG 368 Ca 0.34 -0.03 -0.12 0.00 -1.26 0.00 0.00 59.98 58.92 2ka4 h ARG 368 Cb 0.19 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 2ka4 h ARG 368 CO -0.18 0.28 -0.35 0.00 0.56 0.00 0.00 179.97 180.27 2ka4 h ARG 369 N 0.43 0.56 -0.81 0.04 2.47 -1.19 -2.72 114.38 113.16 2ka4 h ARG 369 Ca 0.20 -0.36 0.03 0.00 -1.26 0.00 0.00 59.98 58.60 2ka4 h ARG 369 Cb 0.13 0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.44 2ka4 h ARG 369 CO -0.16 0.97 0.52 1.49 0.56 0.00 0.00 179.97 183.35 2ka4 h GLU 370 N 0.21 0.98 -0.30 0.04 4.81 -0.68 -0.91 114.58 118.73 2ka4 h GLU 370 Ca 0.01 -0.06 -0.16 0.00 -0.13 0.00 0.00 59.36 59.02 2ka4 h GLU 370 Cb 0.95 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 2ka4 h GLU 370 CO 0.08 0.65 -0.45 0.37 -0.73 0.00 0.00 179.01 178.93 2ka4 h GLN 371 N 1.01 0.78 0.00 1.92 4.15 -1.18 -3.24 115.11 118.54 2ka4 h GLN 371 Ca 0.32 -0.43 -0.11 0.00 0.77 0.00 0.00 58.65 59.20 2ka4 h GLN 371 Cb 0.01 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 2ka4 h GLN 371 CO -0.11 1.06 -0.54 0.00 -1.93 0.00 0.00 178.83 177.31 2ka4 h ALA 372 N 0.87 1.04 -2.56 3.38 0.00 -1.12 -3.45 119.26 117.41 2ka4 h ALA 372 Ca 0.04 -0.49 -0.52 0.00 0.00 0.00 0.00 54.91 53.94 2ka4 h ALA 372 Cb 1.01 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 18.76 2ka4 h ALA 372 CO 0.10 0.67 1.04 1.21 0.00 0.00 0.00 179.25 182.27 2ka4 s ASN 373 N -6.78 6.45 0.30 0.00 3.84 -0.38 -4.92 114.94 113.45 2ka4 s ASN 373 Ca -0.01 2.75 0.22 0.00 0.21 0.00 0.00 52.86 56.02 2ka4 s ASN 373 Cb 0.13 -2.58 1.12 0.00 -0.55 0.00 0.00 41.25 39.37 2ka4 s ASN 373 CO 0.74 -0.96 1.67 0.61 -2.79 0.00 0.00 177.10 176.38 2ka4 n GLY 374 N 4.06 -0.97 0.94 1.21 0.00 -1.26 -2.57 105.19 106.60 2ka4 n GLY 374 Ca 0.16 0.17 0.04 0.00 0.00 0.00 0.00 46.02 46.39 2ka4 n GLY 374 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2ka4 n GLU 375 N -2.25 0.37 0.00 1.61 0.28 -1.26 -5.05 120.64 114.33 2ka4 n GLU 375 Ca -0.01 -1.97 0.00 0.00 -0.16 0.00 0.00 57.16 55.02 2ka4 n GLU 375 Cb 0.08 -0.54 0.00 0.00 1.43 0.00 0.00 31.44 32.42 2ka4 n GLU 375 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 2ka4 n VAL 376 N -0.08 0.00 -4.02 3.84 3.14 -1.06 -4.77 118.33 115.38 2ka4 n VAL 376 Ca 0.07 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.08 2ka4 n VAL 376 Cb 0.90 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.69 2ka4 n VAL 376 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 2ka4 n ARG 377 N 0.00 -0.40 -1.45 1.45 3.00 -1.26 -4.61 116.66 113.39 2ka4 n ARG 377 Ca 0.00 -0.06 -0.38 0.00 -0.00 0.00 0.00 57.85 57.41 2ka4 n ARG 377 Cb 0.00 -1.80 0.05 0.00 0.00 0.00 0.00 32.46 30.71 2ka4 n ARG 377 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ka4 n ALA 378 N -4.22 -1.04 -0.73 5.13 0.00 -1.26 -4.95 120.51 113.44 2ka4 n ALA 378 Ca -0.10 -0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.09 2ka4 n ALA 378 Cb 0.45 -1.87 0.27 0.00 0.00 0.00 0.00 19.45 18.29 2ka4 n ALA 378 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ka4 n SER 380 N -5.24 0.13 -4.70 0.00 7.64 -1.26 -5.04 113.62 105.14 2ka4 n SER 380 Ca 0.14 -0.70 -0.42 0.00 1.01 0.00 0.00 58.87 58.90 2ka4 n SER 380 Cb 0.59 0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.82 2ka4 n SER 380 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2ka4 s LEU 381 N -0.12 4.39 0.36 -3.43 1.98 -1.26 -4.86 118.68 115.73 2ka4 s LEU 381 Ca 0.00 2.81 0.29 0.00 -2.89 0.00 0.00 54.13 54.35 2ka4 s LEU 381 Cb 0.00 -3.58 1.16 0.00 0.66 0.00 0.00 46.19 44.43 2ka4 s LEU 381 CO 0.00 -1.00 1.12 -2.65 -1.89 0.00 0.00 176.35 171.93 2ka4 n PRO 382 N 5.06 -0.01 -0.37 0.98 -0.02 -1.26 -1.66 135.00 137.71 2ka4 n PRO 382 Ca 0.17 0.84 0.04 0.00 -2.02 0.00 0.00 63.50 62.53 2ka4 n PRO 382 Cb 0.37 -1.79 0.06 0.00 -0.02 0.00 0.00 33.50 32.12 2ka4 n PRO 382 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2ka4 n HIS 383 N -3.78 0.00 -0.13 6.00 8.25 -1.26 -4.91 115.22 119.39 2ka4 n HIS 383 Ca 0.30 -0.40 -0.05 0.00 -0.26 0.00 0.00 57.72 57.31 2ka4 n HIS 383 Cb 1.28 -0.09 0.01 0.00 1.12 0.00 0.00 29.99 32.31 2ka4 n HIS 383 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ka4 h ARG 385 N -0.12 0.52 0.05 0.00 -0.00 -1.91 -0.34 114.38 112.58 2ka4 h ARG 385 Ca 0.21 -0.06 -0.00 0.00 -0.00 0.00 0.00 59.98 60.13 2ka4 h ARG 385 Cb 0.44 -0.10 0.00 0.00 -0.00 0.00 0.00 29.97 30.31 2ka4 h ARG 385 CO -0.51 0.41 -0.03 1.15 -0.00 0.00 0.00 179.97 181.00 2ka4 h THR 386 N 0.52 1.10 -0.33 0.08 2.02 -1.64 -2.14 112.91 112.52 2ka4 h THR 386 Ca 0.13 -0.49 -0.04 0.00 0.77 0.00 0.00 66.41 66.78 2ka4 h THR 386 Cb 0.07 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 2ka4 h THR 386 CO -0.02 0.12 0.05 0.24 0.37 0.00 0.00 175.52 176.29 2ka4 h MET 387 N -0.29 0.55 -0.89 6.66 2.86 -1.14 -2.27 114.93 120.42 2ka4 h MET 387 Ca -0.01 -0.15 0.10 0.00 -2.06 0.00 0.00 59.70 57.58 2ka4 h MET 387 Cb 0.26 -0.06 -0.08 0.00 0.06 0.00 0.00 31.60 31.78 2ka4 h MET 387 CO 0.01 0.64 0.53 0.87 1.06 0.00 0.00 176.91 180.02 2ka4 h LYS 388 N 0.38 0.84 -0.30 1.72 1.57 -1.02 0.19 116.57 119.94 2ka4 h LYS 388 Ca 0.10 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 2ka4 h LYS 388 Cb 0.36 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2ka4 h LYS 388 CO 0.01 0.56 0.01 -0.91 -0.57 0.00 0.00 179.45 178.55 2ka4 h ASN 389 N 0.87 0.52 -0.59 0.86 2.35 -1.29 -2.17 115.58 116.13 2ka4 h ASN 389 Ca 0.43 -0.30 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 2ka4 h ASN 389 Cb 0.39 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 2ka4 h ASN 389 CO -0.25 0.69 0.16 0.58 -1.65 0.00 0.00 177.43 176.96 2ka4 h VAL 390 N 0.33 1.25 -0.27 2.81 2.07 -0.75 -2.19 116.25 119.50 2ka4 h VAL 390 Ca 0.09 -0.87 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 2ka4 h VAL 390 Cb 0.42 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2ka4 h VAL 390 CO 0.01 0.33 0.09 -0.07 0.02 0.00 0.00 177.57 177.95 2ka4 h LEU 391 N 0.84 0.38 -0.58 2.57 3.38 -0.66 0.39 115.31 121.62 2ka4 h LEU 391 Ca 0.19 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ka4 h LEU 391 Cb 0.33 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2ka4 h LEU 391 CO -0.00 0.47 0.38 -1.13 0.09 0.00 0.00 178.44 178.25 2ka4 h ASN 392 N 0.27 0.67 -0.05 -0.43 -0.73 -1.36 -1.54 115.58 112.41 2ka4 h ASN 392 Ca 0.09 -0.03 0.01 0.00 1.87 0.00 0.00 56.30 58.24 2ka4 h ASN 392 Cb 0.22 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.63 2ka4 h ASN 392 CO -0.00 0.50 -0.01 -0.74 -0.37 0.00 0.00 177.43 176.80 2ka4 h HIS 393 N 0.78 -0.03 -0.80 0.67 2.76 -1.17 -2.70 115.15 114.67 2ka4 h HIS 393 Ca 0.21 0.00 0.17 0.00 -2.20 0.00 0.00 60.37 58.55 2ka4 h HIS 393 Cb -0.07 0.02 -0.05 0.00 1.55 0.00 0.00 27.41 28.85 2ka4 h HIS 393 CO -0.03 -0.02 0.53 0.52 -1.30 0.00 0.00 177.93 177.63 2ka4 h MET 394 N -0.00 0.38 0.00 5.26 2.86 -0.65 0.05 114.93 122.83 2ka4 h MET 394 Ca 0.02 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2ka4 h MET 394 Cb 0.04 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.61 2ka4 h MET 394 CO -0.05 0.25 0.00 2.41 1.06 0.00 0.00 176.91 180.58 2ka4 n THR 395 N -4.48 0.18 0.00 2.22 -1.04 -0.60 -3.26 114.28 107.30 2ka4 n THR 395 Ca 0.16 0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 2ka4 n THR 395 Cb 0.59 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 2ka4 n THR 395 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2ka4 n HIS 396 N -1.10 0.00 -1.69 -1.42 8.25 -0.36 -5.09 115.22 113.81 2ka4 n HIS 396 Ca 0.11 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.22 2ka4 n HIS 396 Cb 0.08 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.26 2ka4 n HIS 396 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ka4 n GLN 398 N -2.21 0.00 0.00 0.00 6.02 -1.26 -4.92 117.38 115.01 2ka4 n GLN 398 Ca 0.14 -0.52 0.02 0.00 -0.01 0.00 0.00 57.00 56.63 2ka4 n GLN 398 Cb 0.50 -0.46 0.14 0.00 1.02 0.00 0.00 30.24 31.44 2ka4 n GLN 398 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ka4 n ALA 399 N 0.00 2.25 -0.69 -1.58 0.00 -1.26 -4.99 120.51 114.24 2ka4 n ALA 399 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2ka4 n ALA 399 Cb 0.52 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2ka4 n ALA 399 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ka4 n GLY 400 N 0.27 2.80 0.54 0.00 0.00 -1.26 -2.18 105.19 105.36 2ka4 n GLY 400 Ca 0.04 -0.22 0.01 0.00 0.00 0.00 0.00 46.02 45.85 2ka4 n GLY 400 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ka4 n LYS 401 N 14.00 1.52 -0.12 1.61 5.02 -1.26 -3.95 118.16 134.97 2ka4 n LYS 401 Ca 0.00 -0.50 0.03 0.00 -2.02 0.00 0.00 58.31 55.82 2ka4 n LYS 401 Cb 0.00 -1.43 0.04 0.00 -0.02 0.00 0.00 35.03 33.62 2ka4 n LYS 401 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ka4 n ALA 402 N 0.01 1.85 -1.50 7.82 0.00 -0.93 -4.91 120.51 122.85 2ka4 n ALA 402 Ca 0.04 -1.34 -0.36 0.00 0.00 0.00 0.00 53.44 51.79 2ka4 n ALA 402 Cb 0.29 -0.21 0.08 0.00 0.00 0.00 0.00 19.45 19.62 2ka4 n ALA 402 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ka4 h GLN 404 N 0.05 0.00 -6.32 0.00 4.15 -1.97 -3.41 115.11 107.60 2ka4 h GLN 404 Ca -0.49 0.00 -0.59 0.00 0.77 0.00 0.00 58.65 58.34 2ka4 h GLN 404 Cb 1.33 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.93 2ka4 h GLN 404 CO 0.50 0.37 0.70 0.08 -1.93 0.00 0.00 178.83 178.54 2ka4 s VAL 405 N -3.80 4.37 0.30 2.39 1.01 -1.26 -4.95 120.40 118.47 2ka4 s VAL 405 Ca -0.01 0.87 0.06 0.00 0.00 0.00 0.00 61.98 62.90 2ka4 s VAL 405 Cb 0.12 -4.50 0.30 0.00 0.00 0.00 0.00 36.38 32.30 2ka4 s VAL 405 CO 0.69 -0.92 1.74 0.00 0.00 0.00 0.00 175.10 176.61 2ka4 h ALA 406 N 9.15 1.64 0.00 5.51 0.00 -2.02 -1.92 119.26 131.62 2ka4 h ALA 406 Ca -0.24 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2ka4 h ALA 406 Cb 1.07 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2ka4 h ALA 406 CO 1.06 -0.20 -0.44 0.45 0.00 0.00 0.00 179.25 180.13 2ka4 h HIS 407 N 0.61 0.00 0.49 0.00 3.86 -1.95 -3.31 115.15 114.85 2ka4 h HIS 407 Ca 0.59 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.78 2ka4 h HIS 407 Cb 1.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.52 2ka4 h HIS 407 CO -0.04 0.24 -0.24 0.00 0.86 0.00 0.00 177.93 178.76 2ka4 h ALA 409 N -1.52 1.55 0.19 0.00 0.00 -1.73 0.69 119.26 118.44 2ka4 h ALA 409 Ca -0.07 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2ka4 h ALA 409 Cb 0.51 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ka4 h ALA 409 CO 0.11 0.22 -0.09 0.66 0.00 0.00 0.00 179.25 180.16 2ka4 h SER 410 N 0.98 -0.21 -0.48 0.00 4.64 -1.65 -3.07 113.55 113.76 2ka4 h SER 410 Ca 0.48 -0.28 0.09 0.00 -0.47 0.00 0.00 61.79 61.61 2ka4 h SER 410 Cb 0.46 0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 62.53 2ka4 h SER 410 CO -0.24 0.20 0.04 0.28 -0.87 0.00 0.00 176.83 176.24 2ka4 h SER 411 N -0.66 -0.12 -1.00 4.97 0.02 -0.89 0.10 113.55 115.97 2ka4 h SER 411 Ca -0.03 0.10 0.21 0.00 -0.84 0.00 0.00 61.79 61.24 2ka4 h SER 411 Cb 0.47 0.17 -0.11 0.00 0.14 0.00 0.00 62.40 63.07 2ka4 h SER 411 CO 0.04 -0.03 0.61 -0.09 -1.14 0.00 0.00 176.83 176.22 2ka4 h ARG 412 N 0.16 0.66 0.17 3.45 2.43 -0.93 -1.28 114.38 119.04 2ka4 h ARG 412 Ca 0.24 -0.04 -0.26 0.00 -0.81 0.00 0.00 59.98 59.11 2ka4 h ARG 412 Cb 0.35 -0.15 0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2ka4 h ARG 412 CO -0.37 0.43 -1.22 0.37 -1.51 0.00 0.00 179.97 177.68 2ka4 h GLN 413 N 0.68 0.36 -0.79 0.20 5.75 -1.29 -3.36 115.11 116.66 2ka4 h GLN 413 Ca 0.60 -0.62 0.04 0.00 -0.15 0.00 0.00 58.65 58.52 2ka4 h GLN 413 Cb 1.05 0.23 -0.05 0.00 1.07 0.00 0.00 27.48 29.78 2ka4 h GLN 413 CO -0.40 1.29 0.50 0.97 -2.65 0.00 0.00 178.83 178.54 2ka4 h ILE 414 N -0.18 1.11 -0.25 2.39 2.10 0.03 -2.74 117.51 119.97 2ka4 h ILE 414 Ca -0.23 -0.33 0.01 0.00 1.08 0.00 0.00 64.86 65.38 2ka4 h ILE 414 Cb 1.85 0.05 -0.01 0.00 -1.09 0.00 0.00 36.82 37.62 2ka4 h ILE 414 CO 0.17 0.18 0.16 0.40 -1.08 0.00 0.00 178.15 177.97 2ka4 h ILE 415 N 0.97 1.05 -0.16 2.19 2.04 -1.46 -2.73 117.51 119.41 2ka4 h ILE 415 Ca 0.32 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 66.11 2ka4 h ILE 415 Cb 0.03 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 2ka4 h ILE 415 CO -0.12 0.06 0.27 0.28 0.00 0.00 0.00 178.15 178.64 2ka4 h SER 416 N 0.33 0.00 0.17 1.72 0.02 -1.63 -1.89 113.55 112.26 2ka4 h SER 416 Ca 0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2ka4 h SER 416 Cb -0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.52 2ka4 h SER 416 CO -0.03 0.00 -0.08 -0.74 -1.14 0.00 0.00 176.83 174.84 2ka4 h HIS 417 N 0.00 -0.21 -0.35 3.45 -0.00 -1.47 -3.22 115.15 113.35 2ka4 h HIS 417 Ca 0.07 -0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.46 2ka4 h HIS 417 Cb 0.61 0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 28.07 2ka4 h HIS 417 CO 0.00 0.15 0.23 2.35 -0.00 0.00 0.00 177.93 180.66 2ka4 h TRP 418 N -0.96 0.39 0.00 5.26 2.91 -1.55 0.18 115.95 122.18 2ka4 h TRP 418 Ca -0.02 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.01 2ka4 h TRP 418 Cb 0.45 -0.13 0.00 0.00 -0.51 0.00 0.00 29.16 28.97 2ka4 h TRP 418 CO 0.07 0.24 0.00 1.63 -1.03 0.00 0.00 178.44 179.35 2ka4 n LYS 419 N -4.49 0.00 0.00 2.65 4.76 -0.74 -4.18 118.16 116.16 2ka4 n LYS 419 Ca 0.03 0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.78 2ka4 n LYS 419 Cb 0.11 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.80 2ka4 n LYS 419 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2ka4 n ASN 420 N -1.49 1.58 -4.75 4.39 0.23 -0.35 -5.06 115.26 109.80 2ka4 n ASN 420 Ca 0.03 0.00 -0.36 0.00 -0.53 0.00 0.00 54.58 53.72 2ka4 n ASN 420 Cb 0.12 0.12 0.04 0.00 -2.08 0.00 0.00 39.78 37.98 2ka4 n ASN 420 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ka4 n THR 422 N -1.69 0.00 -1.78 0.00 -2.24 -1.26 -4.98 114.28 102.34 2ka4 n THR 422 Ca 0.13 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.49 2ka4 n THR 422 Cb 0.50 1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 69.84 2ka4 n THR 422 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2ka4 s ARG 423 N 0.00 3.91 0.00 -0.78 3.52 -1.26 -4.90 118.95 119.44 2ka4 s ARG 423 Ca 0.00 2.31 0.11 0.00 -0.13 0.00 0.00 55.73 58.02 2ka4 s ARG 423 Cb 0.00 -4.16 0.48 0.00 -1.56 0.00 0.00 34.95 29.72 2ka4 s ARG 423 CO 0.00 -1.20 1.32 -2.39 -0.81 0.00 0.00 175.30 172.22 2ka4 n HIS 424 N 8.37 0.00 -0.83 5.12 1.44 -1.26 -2.80 115.22 125.26 2ka4 n HIS 424 Ca 0.21 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.96 2ka4 n HIS 424 Cb 0.43 -0.44 0.05 0.00 0.12 0.00 0.00 29.99 30.15 2ka4 n HIS 424 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 2ka4 n ASP 425 N -1.44 1.60 -4.67 4.39 5.75 -1.26 -4.86 116.55 116.05 2ka4 n ASP 425 Ca 0.03 -2.30 -0.47 0.00 -0.01 0.00 0.00 54.79 52.04 2ka4 n ASP 425 Cb 0.11 -0.20 -0.04 0.00 -1.03 0.00 0.00 41.12 39.97 2ka4 n ASP 425 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ka4 h PRO 427 N 7.23 1.20 0.07 0.00 0.13 -1.97 -1.47 132.00 137.19 2ka4 h PRO 427 Ca -0.46 -0.16 -0.00 0.00 -0.87 0.00 0.00 66.00 64.51 2ka4 h PRO 427 Cb 1.26 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2ka4 h PRO 427 CO 0.91 0.90 -0.03 0.28 -0.23 0.00 0.00 178.00 179.83 2ka4 h VAL 428 N 1.20 1.07 0.00 1.56 2.07 -1.90 -3.36 116.25 116.89 2ka4 h VAL 428 Ca 0.30 -1.52 -0.09 0.00 0.82 0.00 0.00 66.70 66.21 2ka4 h VAL 428 Cb 0.06 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2ka4 h VAL 428 CO -0.04 0.32 -0.44 0.00 0.02 0.00 0.00 177.57 177.43 2ka4 h LEU 430 N 0.00 -1.47 -1.09 0.00 5.85 -1.42 0.14 115.31 117.32 2ka4 h LEU 430 Ca -0.00 0.30 0.10 0.00 0.84 0.00 0.00 57.88 59.11 2ka4 h LEU 430 Cb 0.79 0.75 -0.07 0.00 0.37 0.00 0.00 40.66 42.49 2ka4 h LEU 430 CO 0.06 -0.29 0.61 1.55 -0.34 0.00 0.00 178.44 180.03 2ka4 h PRO 431 N -0.04 0.95 -0.16 5.25 0.13 -1.83 -0.55 132.00 135.75 2ka4 h PRO 431 Ca 0.30 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 65.28 2ka4 h PRO 431 Cb 0.57 -0.22 -0.00 0.00 0.13 0.00 0.00 31.00 31.49 2ka4 h PRO 431 CO -0.92 0.63 -0.27 -0.07 -0.23 0.00 0.00 178.00 177.15 2ka4 h LEU 432 N 0.98 0.52 -2.14 1.56 4.07 -1.14 0.75 115.31 119.90 2ka4 h LEU 432 Ca 0.45 -0.53 0.03 0.00 0.08 0.00 0.00 57.88 57.91 2ka4 h LEU 432 Cb 0.40 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 2ka4 h LEU 432 CO -0.21 0.95 0.08 0.11 -1.08 0.00 0.00 178.44 178.29 2ka4 h LYS 433 N 0.10 0.00 0.00 1.13 1.57 -0.47 -1.98 116.57 116.92 2ka4 h LYS 433 Ca 0.01 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.52 2ka4 h LYS 433 Cb 0.84 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.11 2ka4 h LYS 433 CO 0.06 0.00 -1.64 -0.97 -0.57 0.00 0.00 179.45 176.33 2ka4 h ASN 434 N 0.00 0.00 -0.31 0.86 -1.24 -0.99 -3.40 115.58 110.50 2ka4 h ASN 434 Ca 0.05 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 56.92 2ka4 h ASN 434 Cb 0.21 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.25 2ka4 h ASN 434 CO -0.00 0.93 -0.32 0.00 -1.29 0.00 0.00 177.43 176.75 2ka4 h ALA 435 N 1.07 0.72 -0.22 1.57 0.00 -0.09 -3.36 119.26 118.94 2ka4 h ALA 435 Ca -0.26 -0.42 -0.30 0.00 0.00 0.00 0.00 54.91 53.93 2ka4 h ALA 435 Cb 1.94 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 19.49 2ka4 h ALA 435 CO 0.07 0.66 -0.04 0.45 0.00 0.00 0.00 179.25 180.39 2ka4 n SER 436 N -4.07 5.75 -3.73 0.00 2.88 -1.02 -4.82 113.62 108.61 2ka4 n SER 436 Ca -0.01 -2.77 -0.14 0.00 -1.33 0.00 0.00 58.87 54.62 2ka4 n SER 436 Cb 0.50 -1.32 -0.09 0.00 -0.75 0.00 0.00 64.21 62.55 2ka4 n SER 436 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2ka4 s ASP 437 N 1.31 -0.33 -1.34 -3.46 2.15 -1.26 -5.07 116.67 108.67 2ka4 s ASP 437 Ca 0.59 0.45 -0.09 0.00 0.43 0.00 0.00 52.55 53.92 2ka4 s ASP 437 Cb 0.32 0.55 -0.11 0.00 -0.30 0.00 0.00 42.92 43.38 2ka4 s ASP 437 CO -0.08 -0.34 3.05 0.29 -0.17 0.00 0.00 175.17 177.92 2ka4 n LYS 438 N 1.89 3.46 0.00 4.34 5.02 -1.26 -5.13 118.16 126.48 2ka4 n LYS 438 Ca -0.18 -2.06 0.00 0.00 -2.02 0.00 0.00 58.31 54.05 2ka4 n LYS 438 Cb 0.57 -2.66 0.00 0.00 -0.02 0.00 0.00 35.03 32.92 2ka4 n LYS 438 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42