#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka4 h THR 341 N 0.00 0.00 0.00 0.00 1.35 -2.07 -3.39 112.91 108.80 2ka4 h THR 341 Ca 0.00 -0.32 -0.14 0.00 -0.55 0.00 0.00 66.41 65.41 2ka4 h THR 341 Cb 0.00 1.14 -0.12 0.00 -1.73 0.00 0.00 68.15 67.44 2ka4 h THR 341 CO 0.00 0.00 -0.08 0.61 -0.25 0.00 0.00 175.52 175.80 2ka4 n GLY 342 N -0.08 -0.98 0.28 5.82 0.00 -1.26 -5.03 105.19 103.94 2ka4 n GLY 342 Ca 0.01 0.65 0.19 0.00 0.00 0.00 0.00 46.02 46.88 2ka4 n GLY 342 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ka4 h PRO 343 N 2.52 0.00 0.00 1.61 0.13 -2.00 -0.02 132.00 134.24 2ka4 h PRO 343 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2ka4 h PRO 343 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2ka4 h PRO 343 CO 0.02 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.04 2ka4 n THR 344 N -2.85 0.26 0.00 1.56 -2.24 -1.26 -4.13 114.28 105.62 2ka4 n THR 344 Ca -0.02 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 2ka4 n THR 344 Cb 0.09 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 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 -1.58 1.61 -1.24 6.98 0.00 -0.51 -5.10 120.51 120.67 2ka4 n ALA 345 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.49 2ka4 n ALA 345 Cb 0.35 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.89 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 -1.36 -0.13 -0.31 0.00 -0.08 -0.14 -4.49 116.55 110.04 2ka4 n ASP 346 Ca 0.00 -0.01 0.16 0.00 -1.51 0.00 0.00 54.79 53.43 2ka4 n ASP 346 Cb 0.19 -0.04 0.34 0.00 2.34 0.00 0.00 41.12 43.94 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 0.16 0.19 -0.50 -0.67 0.11 -1.97 -0.59 132.00 128.73 2ka4 h PRO 347 Ca -0.01 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.03 2ka4 h PRO 347 Cb 0.03 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 2ka4 h PRO 347 CO 0.01 0.13 0.11 1.49 -0.21 0.00 0.00 178.00 179.52 2ka4 h GLU 348 N 0.20 0.81 -0.24 1.05 4.57 -2.00 -3.15 114.58 115.82 2ka4 h GLU 348 Ca 0.60 -0.20 -0.16 0.00 -1.18 0.00 0.00 59.36 58.42 2ka4 h GLU 348 Cb 1.28 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.76 2ka4 h GLU 348 CO -0.68 0.79 -0.51 -0.22 -1.18 0.00 0.00 179.01 177.21 2ka4 h LYS 349 N 0.69 0.67 -0.80 1.92 3.11 -1.59 -3.27 116.57 117.30 2ka4 h LYS 349 Ca 0.15 -0.40 0.14 0.00 -2.81 0.00 0.00 60.65 57.73 2ka4 h LYS 349 Cb 0.36 0.04 -0.09 0.00 -1.00 0.00 0.00 32.23 31.53 2ka4 h LYS 349 CO 0.00 1.02 0.39 -0.09 -2.81 0.00 0.00 179.45 177.96 2ka4 h ARG 350 N 0.52 0.56 -0.21 1.90 1.12 -1.11 -1.49 114.38 115.67 2ka4 h ARG 350 Ca 0.02 -0.03 -0.14 0.00 -1.11 0.00 0.00 59.98 58.72 2ka4 h ARG 350 Cb 1.07 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.89 2ka4 h ARG 350 CO 0.10 0.37 -0.45 0.87 -3.11 0.00 0.00 179.97 177.76 2ka4 h LYS 351 N 0.57 0.52 -0.46 0.20 6.56 -1.61 -3.13 116.57 119.22 2ka4 h LYS 351 Ca 0.43 -0.28 -0.00 0.00 -1.06 0.00 0.00 60.65 59.74 2ka4 h LYS 351 Cb 0.60 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.25 2ka4 h LYS 351 CO -0.36 0.87 0.29 -0.07 -2.06 0.00 0.00 179.45 178.12 2ka4 h LEU 352 N 0.42 0.55 -0.48 2.94 3.38 -1.32 0.15 115.31 120.95 2ka4 h LEU 352 Ca 0.03 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2ka4 h LEU 352 Cb 0.95 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2ka4 h LEU 352 CO 0.08 0.43 -0.06 0.16 0.09 0.00 0.00 178.44 179.15 2ka4 h ILE 353 N 0.62 1.27 -0.64 1.22 -2.65 -1.60 -2.64 117.51 113.09 2ka4 h ILE 353 Ca 0.17 -1.16 0.07 0.00 1.03 0.00 0.00 64.86 64.96 2ka4 h ILE 353 Cb -0.02 1.04 -0.06 0.00 -2.05 0.00 0.00 36.82 35.73 2ka4 h ILE 353 CO -0.03 0.40 0.33 1.56 0.03 0.00 0.00 178.15 180.44 2ka4 h GLN 354 N 0.74 0.58 -0.15 0.16 4.20 -1.42 -1.56 115.11 117.67 2ka4 h GLN 354 Ca 0.13 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 2ka4 h GLN 354 Cb 0.59 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 2ka4 h GLN 354 CO 0.04 0.38 -0.01 1.96 -0.67 0.00 0.00 178.83 180.53 2ka4 h GLN 355 N 0.60 0.27 -0.51 1.46 4.20 -0.90 -1.50 115.11 118.72 2ka4 h GLN 355 Ca 0.30 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 2ka4 h GLN 355 Cb 0.25 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2ka4 h GLN 355 CO -0.21 0.51 0.20 0.37 -0.67 0.00 0.00 178.83 179.03 2ka4 h GLN 356 N -0.01 0.77 0.04 1.46 4.15 -1.39 -1.57 115.11 118.57 2ka4 h GLN 356 Ca 0.04 -0.14 0.03 0.00 0.77 0.00 0.00 58.65 59.34 2ka4 h GLN 356 Cb 0.40 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.92 2ka4 h GLN 356 CO 0.01 0.68 -0.30 1.25 -1.93 0.00 0.00 178.83 178.55 2ka4 h LEU 357 N 0.69 -0.87 -0.91 -2.39 5.85 -1.22 -1.35 115.31 115.10 2ka4 h LEU 357 Ca 0.17 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 2ka4 h LEU 357 Cb 0.21 0.34 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 2ka4 h LEU 357 CO -0.01 -0.37 0.52 0.58 -0.34 0.00 0.00 178.44 178.82 2ka4 h VAL 358 N -0.47 1.26 -0.90 1.05 2.07 -1.23 -2.01 116.25 116.03 2ka4 h VAL 358 Ca 0.05 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 67.00 2ka4 h VAL 358 Cb 0.54 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 2ka4 h VAL 358 CO -0.22 0.28 0.58 -0.07 0.02 0.00 0.00 177.57 178.16 2ka4 h LEU 359 N 1.26 0.97 -0.20 2.57 3.38 -0.85 -0.93 115.31 121.52 2ka4 h LEU 359 Ca 0.32 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.25 2ka4 h LEU 359 Cb -0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2ka4 h LEU 359 CO -0.06 0.67 0.01 -0.07 0.09 0.00 0.00 178.44 179.08 2ka4 h LEU 360 N 1.14 0.34 -0.95 1.67 3.38 -0.90 -1.22 115.31 118.77 2ka4 h LEU 360 Ca 0.35 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 58.09 2ka4 h LEU 360 Cb -0.01 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 2ka4 h LEU 360 CO -0.11 0.56 0.60 -0.07 0.09 0.00 0.00 178.44 179.51 2ka4 h LEU 361 N 0.12 0.96 0.69 1.67 3.38 -1.06 -1.50 115.31 119.55 2ka4 h LEU 361 Ca 0.06 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2ka4 h LEU 361 Cb 0.38 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.95 2ka4 h LEU 361 CO 0.01 0.61 -0.33 -0.74 0.09 0.00 0.00 178.44 178.08 2ka4 h HIS 362 N 1.09 -0.85 -0.99 1.13 2.76 -1.12 -3.27 115.15 113.89 2ka4 h HIS 362 Ca 0.41 -0.02 0.23 0.00 -2.20 0.00 0.00 60.37 58.79 2ka4 h HIS 362 Cb 0.18 0.28 -0.09 0.00 1.55 0.00 0.00 27.41 29.33 2ka4 h HIS 362 CO -0.01 -0.53 0.64 0.00 -1.30 0.00 0.00 177.93 176.72 2ka4 h ALA 363 N -1.35 2.11 0.19 5.26 0.00 -0.96 -0.58 119.26 123.93 2ka4 h ALA 363 Ca -0.09 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2ka4 h ALA 363 Cb 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2ka4 h ALA 363 CO 0.15 -0.47 -0.09 1.25 0.00 0.00 0.00 179.25 180.09 2ka4 h HIS 364 N 0.47 -0.23 -0.21 0.00 6.17 -1.38 0.13 115.15 120.09 2ka4 h HIS 364 Ca 0.55 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.62 2ka4 h HIS 364 Cb 1.28 0.08 -0.01 0.00 2.52 0.00 0.00 27.41 31.28 2ka4 h HIS 364 CO -0.00 0.07 0.10 0.87 0.71 0.00 0.00 177.93 179.68 2ka4 h LYS 365 N -0.55 0.29 -0.17 5.26 1.79 -1.42 -1.45 116.57 120.32 2ka4 h LYS 365 Ca -0.03 -0.03 -0.18 0.00 -2.18 0.00 0.00 60.65 58.24 2ka4 h LYS 365 Cb 0.41 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.01 2ka4 h LYS 365 CO 0.04 0.23 -0.61 0.00 -1.08 0.00 0.00 179.45 178.03 2ka4 h GLN 367 N 0.41 0.80 0.00 0.00 -0.00 -0.12 -2.05 115.11 114.15 2ka4 h GLN 367 Ca -0.03 -0.09 0.00 0.00 -0.00 0.00 0.00 58.65 58.53 2ka4 h GLN 367 Cb 1.24 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 28.57 2ka4 h GLN 367 CO 0.13 0.61 0.15 0.00 0.00 0.00 0.00 178.83 179.73 2ka4 h ARG 368 N 0.80 0.00 -0.03 1.69 3.08 -1.26 -1.94 114.38 116.72 2ka4 h ARG 368 Ca 0.20 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.26 2ka4 h ARG 368 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 2ka4 h ARG 368 CO -0.03 0.00 0.03 0.00 -1.07 0.00 0.00 179.97 178.90 2ka4 h ARG 369 N 0.00 0.00 0.00 0.04 2.47 -1.48 -0.84 114.38 114.58 2ka4 h ARG 369 Ca 0.00 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.68 2ka4 h ARG 369 Cb 0.31 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 2ka4 h ARG 369 CO 0.00 0.00 -0.20 0.93 0.56 0.00 0.00 179.97 181.26 2ka4 h GLU 370 N 0.00 0.00 0.11 0.04 5.08 -1.32 0.74 114.58 119.22 2ka4 h GLU 370 Ca 0.01 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.02 2ka4 h GLU 370 Cb 0.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2ka4 h GLU 370 CO -0.00 0.20 -1.95 1.04 -1.00 0.00 0.00 179.01 177.30 2ka4 n GLN 371 N -3.74 0.75 0.21 2.33 3.00 -0.41 -2.67 117.38 116.86 2ka4 n GLN 371 Ca -0.01 0.27 0.13 0.00 -0.01 0.00 0.00 57.00 57.38 2ka4 n GLN 371 Cb 0.31 -1.72 0.33 0.00 0.00 0.00 0.00 30.24 29.16 2ka4 n GLN 371 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2ka4 h ALA 372 N 0.20 1.00 0.00 -1.58 0.00 -1.19 -3.42 119.26 114.26 2ka4 h ALA 372 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2ka4 h ALA 372 Cb 2.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.83 2ka4 h ALA 372 CO 0.09 0.00 -0.03 -1.71 0.00 0.00 0.00 179.25 177.60 2ka4 n ASN 373 N -2.95 -0.02 0.00 0.00 2.85 0.21 -5.05 115.26 110.29 2ka4 n ASN 373 Ca 0.03 0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.58 2ka4 n ASN 373 Cb 0.46 0.07 0.00 0.00 1.24 0.00 0.00 39.78 41.54 2ka4 n ASN 373 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2ka4 n GLY 374 N 1.56 1.12 0.12 8.20 0.00 -0.96 -4.89 105.19 110.35 2ka4 n GLY 374 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 2ka4 n GLY 374 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ka4 n GLU 375 N -2.00 1.34 -4.11 1.61 1.02 -1.26 -4.95 120.64 112.29 2ka4 n GLU 375 Ca 0.00 -2.05 -0.18 0.00 -0.02 0.00 0.00 57.16 54.92 2ka4 n GLU 375 Cb 0.00 -1.21 -0.16 0.00 -0.02 0.00 0.00 31.44 30.05 2ka4 n GLU 375 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2ka4 s VAL 376 N -1.96 0.40 0.00 2.62 1.01 -1.26 -5.05 120.40 116.16 2ka4 s VAL 376 Ca 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.07 2ka4 s VAL 376 Cb 0.17 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 36.14 2ka4 s VAL 376 CO 0.02 0.17 0.00 0.54 0.00 0.00 0.00 175.10 175.82 2ka4 n ARG 377 N 3.68 3.17 -3.63 2.72 3.00 -1.26 -3.25 116.66 121.09 2ka4 n ARG 377 Ca -0.22 0.00 -0.10 0.00 -0.01 0.00 0.00 57.85 57.52 2ka4 n ARG 377 Cb 0.53 -0.97 -0.02 0.00 0.00 0.00 0.00 32.46 32.00 2ka4 n ARG 377 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ka4 s ALA 378 N -1.94 -1.32 0.00 7.54 0.00 -1.26 -4.50 121.76 120.28 2ka4 s ALA 378 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.04 2ka4 s ALA 378 Cb 0.00 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.99 2ka4 s ALA 378 CO 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 175.76 174.91 2ka4 n SER 380 N -0.12 0.00 -4.68 0.00 3.41 -1.26 -5.13 113.62 105.85 2ka4 n SER 380 Ca 0.00 -0.83 -0.46 0.00 -0.26 0.00 0.00 58.87 57.33 2ka4 n SER 380 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 2ka4 n SER 380 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2ka4 n LEU 381 N 0.00 3.43 -0.61 1.04 -0.00 -1.26 -4.87 117.00 114.74 2ka4 n LEU 381 Ca 0.00 1.04 0.48 0.00 -0.00 0.00 0.00 56.01 57.53 2ka4 n LEU 381 Cb 0.21 -1.45 0.78 0.00 -0.00 0.00 0.00 43.42 42.96 2ka4 n LEU 381 CO 0.00 -0.11 1.42 -0.65 -0.00 0.00 0.00 177.39 178.05 2ka4 h PRO 382 N 7.27 0.01 0.00 1.96 0.11 -2.04 -1.81 132.00 137.51 2ka4 h PRO 382 Ca -0.46 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2ka4 h PRO 382 Cb 1.25 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 2ka4 h PRO 382 CO 0.92 0.01 -0.27 0.72 -0.21 0.00 0.00 178.00 179.16 2ka4 n HIS 383 N -4.14 0.00 -0.12 0.65 8.25 -1.26 -4.85 115.22 113.75 2ka4 n HIS 383 Ca 0.41 -0.63 -0.05 0.00 -0.26 0.00 0.00 57.72 57.20 2ka4 n HIS 383 Cb 1.82 -0.12 0.02 0.00 1.12 0.00 0.00 29.99 32.83 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 0.04 0.88 0.03 0.00 -0.00 -1.89 -1.28 114.38 112.16 2ka4 h ARG 385 Ca 0.19 -0.22 -0.00 0.00 -0.00 0.00 0.00 59.98 59.95 2ka4 h ARG 385 Cb 0.29 -0.11 0.00 0.00 -0.00 0.00 0.00 29.97 30.15 2ka4 h ARG 385 CO -0.38 0.84 -0.01 1.15 -0.00 0.00 0.00 179.97 181.57 2ka4 h THR 386 N 0.83 0.99 -0.29 0.08 2.02 -1.66 -1.80 112.91 113.08 2ka4 h THR 386 Ca 0.17 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 67.25 2ka4 h THR 386 Cb 0.41 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 2ka4 h THR 386 CO 0.01 0.02 0.03 0.24 0.37 0.00 0.00 175.52 176.19 2ka4 h MET 387 N -0.06 0.49 -0.94 6.66 2.86 -1.14 -2.59 114.93 120.21 2ka4 h MET 387 Ca -0.00 -0.14 0.06 0.00 -2.06 0.00 0.00 59.70 57.56 2ka4 h MET 387 Cb 0.05 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.60 2ka4 h MET 387 CO 0.01 0.62 0.60 0.87 1.06 0.00 0.00 176.91 180.06 2ka4 h LYS 388 N 0.30 1.05 -0.49 1.72 1.57 -1.12 0.25 116.57 119.85 2ka4 h LYS 388 Ca 0.09 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2ka4 h LYS 388 Cb 0.38 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2ka4 h LYS 388 CO 0.01 0.70 0.22 -0.91 -0.57 0.00 0.00 179.45 178.90 2ka4 h ASN 389 N 1.08 0.65 -0.48 0.86 2.35 -1.26 -1.02 115.58 117.76 2ka4 h ASN 389 Ca 0.41 -0.14 -0.11 0.00 -0.55 0.00 0.00 56.30 55.91 2ka4 h ASN 389 Cb 0.17 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2ka4 h ASN 389 CO -0.17 0.61 -0.12 0.58 -1.65 0.00 0.00 177.43 176.68 2ka4 h VAL 390 N 0.65 1.27 -0.03 2.81 2.07 -0.95 -2.61 116.25 119.46 2ka4 h VAL 390 Ca 0.17 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 2ka4 h VAL 390 Cb 0.14 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2ka4 h VAL 390 CO -0.02 0.43 -0.00 -0.07 0.02 0.00 0.00 177.57 177.94 2ka4 h LEU 391 N 0.77 0.06 -0.90 2.57 3.38 -0.44 0.51 115.31 121.26 2ka4 h LEU 391 Ca 0.12 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.80 2ka4 h LEU 391 Cb 0.68 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 2ka4 h LEU 391 CO 0.05 0.36 0.59 -1.13 0.09 0.00 0.00 178.44 178.40 2ka4 h ASN 392 N -0.24 1.01 0.42 -0.43 -0.73 -1.26 -1.19 115.58 113.17 2ka4 h ASN 392 Ca 0.01 -0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.14 2ka4 h ASN 392 Cb 0.33 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 38.68 2ka4 h ASN 392 CO 0.00 0.71 -0.20 -0.74 -0.37 0.00 0.00 177.43 176.83 2ka4 h HIS 393 N 1.19 -0.53 -0.99 0.67 2.76 -1.32 -3.07 115.15 113.86 2ka4 h HIS 393 Ca 0.34 -0.01 0.19 0.00 -2.20 0.00 0.00 60.37 58.69 2ka4 h HIS 393 Cb -0.08 0.17 -0.10 0.00 1.55 0.00 0.00 27.41 28.96 2ka4 h HIS 393 CO -0.01 -0.32 0.61 0.52 -1.30 0.00 0.00 177.93 177.43 2ka4 h MET 394 N -0.58 0.68 0.00 5.26 2.86 -0.55 0.64 114.93 123.24 2ka4 h MET 394 Ca -0.06 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2ka4 h MET 394 Cb 0.44 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2ka4 h MET 394 CO 0.10 0.45 0.00 2.41 1.06 0.00 0.00 176.91 180.93 2ka4 n THR 395 N -4.70 1.04 0.00 2.22 -1.04 -0.48 -3.04 114.28 108.29 2ka4 n THR 395 Ca 0.22 0.50 0.00 0.00 -2.04 0.00 0.00 64.05 62.73 2ka4 n THR 395 Cb 0.59 -1.46 0.00 0.00 -1.82 0.00 0.00 70.33 67.65 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 -2.14 0.00 -1.94 -1.42 8.25 -0.46 -5.07 115.22 112.44 2ka4 n HIS 396 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 2ka4 n HIS 396 Cb 0.11 0.00 0.04 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 -1.69 0.54 0.00 0.00 6.02 -1.26 -4.86 117.38 116.13 2ka4 n GLN 398 Ca 0.14 -0.62 0.11 0.00 -0.01 0.00 0.00 57.00 56.62 2ka4 n GLN 398 Cb 0.49 -0.63 0.63 0.00 1.02 0.00 0.00 30.24 31.76 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 -0.10 2.51 -0.52 -1.58 0.00 -1.26 -4.99 120.51 114.56 2ka4 n ALA 399 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2ka4 n ALA 399 Cb 0.39 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 0.67 3.14 0.00 0.00 0.00 -1.26 -1.91 105.19 105.83 2ka4 n GLY 400 Ca 0.16 -0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.24 2ka4 n GLY 400 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2ka4 n LYS 401 N 14.00 0.78 -0.13 1.61 2.85 -1.26 -3.82 118.16 132.19 2ka4 n LYS 401 Ca 0.00 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.30 2ka4 n LYS 401 Cb 0.00 -1.25 0.06 0.00 -0.65 0.00 0.00 35.03 33.19 2ka4 n LYS 401 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ka4 n ALA 402 N -0.75 1.99 -1.72 0.58 0.00 -0.80 -4.93 120.51 114.88 2ka4 n ALA 402 Ca 0.10 -1.64 -0.37 0.00 0.00 0.00 0.00 53.44 51.52 2ka4 n ALA 402 Cb 0.04 -0.27 0.06 0.00 0.00 0.00 0.00 19.45 19.29 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 0.64 0.00 -6.35 0.00 3.07 -1.96 -3.42 115.11 107.08 2ka4 h GLN 404 Ca -0.51 0.00 -0.58 0.00 0.09 0.00 0.00 58.65 57.65 2ka4 h GLN 404 Cb 1.34 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 28.81 2ka4 h GLN 404 CO 0.53 0.07 0.72 0.08 0.09 0.00 0.00 178.83 180.33 2ka4 s VAL 405 N -3.54 4.39 0.28 1.86 1.01 -1.26 -4.95 120.40 118.19 2ka4 s VAL 405 Ca 0.02 1.01 0.01 0.00 0.00 0.00 0.00 61.98 63.02 2ka4 s VAL 405 Cb 0.08 -4.48 0.27 0.00 0.00 0.00 0.00 36.38 32.25 2ka4 s VAL 405 CO 0.60 -0.85 1.70 0.00 0.00 0.00 0.00 175.10 176.55 2ka4 h ALA 406 N 9.02 1.29 0.00 5.51 0.00 -2.02 -2.21 119.26 130.85 2ka4 h ALA 406 Ca -0.23 0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 2ka4 h ALA 406 Cb 1.07 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2ka4 h ALA 406 CO 1.06 -0.32 -0.76 0.45 0.00 0.00 0.00 179.25 179.68 2ka4 h HIS 407 N 0.38 0.00 0.29 0.00 3.86 -1.96 -3.34 115.15 114.38 2ka4 h HIS 407 Ca 0.51 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.71 2ka4 h HIS 407 Cb 0.93 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.40 2ka4 h HIS 407 CO -0.17 0.68 -0.15 0.00 0.86 0.00 0.00 177.93 179.15 2ka4 h ALA 409 N -1.77 1.69 -0.21 0.00 0.00 -1.74 -1.08 119.26 116.15 2ka4 h ALA 409 Ca -0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2ka4 h ALA 409 Cb 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2ka4 h ALA 409 CO 0.06 0.22 0.03 0.77 0.00 0.00 0.00 179.25 180.33 2ka4 h SER 410 N 0.75 0.33 -0.39 0.00 0.02 -1.68 -2.97 113.55 109.61 2ka4 h SER 410 Ca 0.29 -0.26 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 2ka4 h SER 410 Cb 0.19 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 2ka4 h SER 410 CO -0.09 0.51 0.22 0.28 -1.14 0.00 0.00 176.83 176.61 2ka4 h SER 411 N 0.14 0.35 -0.80 3.07 0.02 -0.18 0.78 113.55 116.93 2ka4 h SER 411 Ca 0.06 0.01 0.15 0.00 -0.84 0.00 0.00 61.79 61.17 2ka4 h SER 411 Cb 0.32 -0.07 -0.10 0.00 0.14 0.00 0.00 62.40 62.70 2ka4 h SER 411 CO 0.00 0.25 0.36 0.03 -1.14 0.00 0.00 176.83 176.34 2ka4 h ARG 412 N 0.45 0.50 -0.01 3.45 3.08 -1.20 -0.79 114.38 119.87 2ka4 h ARG 412 Ca 0.16 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.10 2ka4 h ARG 412 Cb 0.02 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 29.97 2ka4 h ARG 412 CO -0.08 0.33 -0.32 0.37 -1.07 0.00 0.00 179.97 179.20 2ka4 h GLN 413 N 0.52 0.23 -0.45 0.04 5.75 -1.32 -3.27 115.11 116.60 2ka4 h GLN 413 Ca 0.44 -0.23 0.06 0.00 -0.15 0.00 0.00 58.65 58.76 2ka4 h GLN 413 Cb 0.66 0.06 -0.05 0.00 1.07 0.00 0.00 27.48 29.22 2ka4 h GLN 413 CO -0.39 0.95 0.16 0.97 -2.65 0.00 0.00 178.83 177.87 2ka4 h ILE 414 N -0.40 0.86 0.40 2.39 2.10 -0.35 -2.75 117.51 119.77 2ka4 h ILE 414 Ca -0.04 -0.12 -0.02 0.00 1.08 0.00 0.00 64.86 65.77 2ka4 h ILE 414 Cb 1.05 0.49 0.00 0.00 -1.09 0.00 0.00 36.82 37.28 2ka4 h ILE 414 CO 0.06 0.06 -0.20 0.40 -1.08 0.00 0.00 178.15 177.40 2ka4 h ILE 415 N 0.34 0.59 -0.18 2.19 2.04 -1.32 -3.00 117.51 118.17 2ka4 h ILE 415 Ca 0.21 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.12 2ka4 h ILE 415 Cb 0.20 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 2ka4 h ILE 415 CO -0.21 0.00 0.18 0.28 0.00 0.00 0.00 178.15 178.40 2ka4 h SER 416 N -0.55 0.00 0.42 1.72 0.02 -1.56 -1.78 113.55 111.81 2ka4 h SER 416 Ca -0.05 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 2ka4 h SER 416 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2ka4 h SER 416 CO 0.09 0.00 -0.20 -0.74 -1.14 0.00 0.00 176.83 174.83 2ka4 h HIS 417 N 0.00 -0.52 -0.91 3.45 -0.00 -1.34 -3.23 115.15 112.59 2ka4 h HIS 417 Ca 0.09 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.52 2ka4 h HIS 417 Cb 0.45 0.17 -0.06 0.00 -0.00 0.00 0.00 27.41 27.97 2ka4 h HIS 417 CO 0.00 -0.33 0.59 2.35 -0.00 0.00 0.00 177.93 180.54 2ka4 h TRP 418 N -0.67 1.03 0.00 5.26 2.91 -1.52 0.27 115.95 123.23 2ka4 h TRP 418 Ca -0.06 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.99 2ka4 h TRP 418 Cb 0.43 -0.34 0.00 0.00 -0.51 0.00 0.00 29.16 28.75 2ka4 h TRP 418 CO 0.09 0.50 0.00 1.63 -1.03 0.00 0.00 178.44 179.63 2ka4 n LYS 419 N -4.51 0.00 0.00 2.65 5.02 -0.70 -3.69 118.16 116.93 2ka4 n LYS 419 Ca 0.15 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 2ka4 n LYS 419 Cb 0.25 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 2ka4 n LYS 419 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2ka4 n ASN 420 N -1.51 2.51 -4.60 4.39 3.02 -0.67 -5.06 115.26 113.34 2ka4 n ASN 420 Ca 0.02 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.14 2ka4 n ASN 420 Cb 0.10 0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 39.70 2ka4 n ASN 420 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ka4 n THR 422 N 7.58 0.07 -1.86 0.00 -2.24 -1.26 -4.87 114.28 111.70 2ka4 n THR 422 Ca 0.26 -0.05 -0.40 0.00 -2.27 0.00 0.00 64.05 61.59 2ka4 n THR 422 Cb 0.46 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 2ka4 n THR 422 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2ka4 s ARG 423 N -3.03 2.86 0.00 -0.78 0.52 -1.26 -4.87 118.95 112.39 2ka4 s ARG 423 Ca 0.11 1.30 0.10 0.00 -0.52 0.00 0.00 55.73 56.72 2ka4 s ARG 423 Cb 0.17 -4.36 0.46 0.00 0.52 0.00 0.00 34.95 31.75 2ka4 s ARG 423 CO 0.66 -2.42 1.22 -2.39 0.02 0.00 0.00 175.30 172.39 2ka4 n HIS 424 N 12.33 0.00 -0.18 -0.53 1.44 -1.26 -2.68 115.22 124.34 2ka4 n HIS 424 Ca 0.26 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.98 2ka4 n HIS 424 Cb 0.50 -0.35 0.01 0.00 0.12 0.00 0.00 29.99 30.26 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 -1.35 1.75 -4.66 4.39 5.75 -1.26 -4.82 116.55 116.35 2ka4 n ASP 425 Ca 0.04 -1.92 -0.46 0.00 -0.01 0.00 0.00 54.79 52.44 2ka4 n ASP 425 Cb 0.09 -0.02 -0.04 0.00 -1.03 0.00 0.00 41.12 40.12 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 5.40 0.42 0.13 0.00 0.13 -1.97 -1.42 132.00 134.69 2ka4 h PRO 427 Ca -0.45 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2ka4 h PRO 427 Cb 1.27 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2ka4 h PRO 427 CO 0.85 0.28 -0.06 0.28 -0.23 0.00 0.00 178.00 179.11 2ka4 h VAL 428 N 0.43 0.94 0.00 1.56 2.07 -1.90 -3.35 116.25 115.99 2ka4 h VAL 428 Ca 0.19 -1.21 -0.09 0.00 0.82 0.00 0.00 66.70 66.41 2ka4 h VAL 428 Cb 0.10 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2ka4 h VAL 428 CO -0.13 0.25 -0.42 0.00 0.02 0.00 0.00 177.57 177.28 2ka4 h LEU 430 N 0.00 -1.33 -1.30 0.00 5.85 -1.39 0.17 115.31 117.31 2ka4 h LEU 430 Ca -0.00 0.28 0.08 0.00 0.84 0.00 0.00 57.88 59.08 2ka4 h LEU 430 Cb 0.77 0.69 -0.05 0.00 0.37 0.00 0.00 40.66 42.44 2ka4 h LEU 430 CO 0.05 -0.29 0.53 1.55 -0.34 0.00 0.00 178.44 179.94 2ka4 h PRO 431 N -0.06 0.79 -0.17 5.25 0.13 -1.82 -0.28 132.00 135.83 2ka4 h PRO 431 Ca 0.31 -0.05 -0.18 0.00 -0.87 0.00 0.00 66.00 65.21 2ka4 h PRO 431 Cb 0.58 -0.18 0.01 0.00 0.13 0.00 0.00 31.00 31.54 2ka4 h PRO 431 CO -0.88 0.52 -0.60 -0.07 -0.23 0.00 0.00 178.00 176.74 2ka4 h LEU 432 N 0.81 0.83 -2.21 1.56 4.07 -1.15 0.19 115.31 119.41 2ka4 h LEU 432 Ca 0.36 -0.60 -0.01 0.00 0.08 0.00 0.00 57.88 57.71 2ka4 h LEU 432 Cb 0.34 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 41.84 2ka4 h LEU 432 CO -0.13 1.29 -0.06 0.11 -1.08 0.00 0.00 178.44 178.57 2ka4 h LYS 433 N 0.42 0.00 0.05 1.13 1.57 -0.25 0.23 116.57 119.71 2ka4 h LYS 433 Ca -0.03 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.58 2ka4 h LYS 433 Cb 1.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 2ka4 h LYS 433 CO 0.13 0.06 -0.88 -0.97 -0.57 0.00 0.00 179.45 177.22 2ka4 h ASN 434 N 0.00 0.16 -0.95 0.86 -0.73 -0.96 -3.33 115.58 110.63 2ka4 h ASN 434 Ca -0.00 -0.80 0.14 0.00 1.87 0.00 0.00 56.30 57.50 2ka4 h ASN 434 Cb 0.20 -0.05 -0.09 0.00 0.27 0.00 0.00 38.32 38.65 2ka4 h ASN 434 CO 0.01 1.37 0.57 0.00 -0.37 0.00 0.00 177.43 179.00 2ka4 h ALA 435 N -0.16 1.46 -0.01 1.57 0.00 -0.45 -1.17 119.26 120.50 2ka4 h ALA 435 Ca -0.21 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2ka4 h ALA 435 Cb 1.38 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2ka4 h ALA 435 CO -0.03 0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.17 2ka4 n SER 436 N -4.72 0.26 -2.11 0.00 3.41 0.02 -3.99 113.62 106.49 2ka4 n SER 436 Ca 0.19 -1.12 0.01 0.00 -0.26 0.00 0.00 58.87 57.68 2ka4 n SER 436 Cb 0.41 -0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.40 2ka4 n SER 436 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2ka4 n ASP 437 N -0.78 1.52 -0.74 4.04 2.03 -0.46 -4.94 116.55 117.22 2ka4 n ASP 437 Ca 0.22 -2.20 0.00 0.00 0.52 0.00 0.00 54.79 53.33 2ka4 n ASP 437 Cb 0.15 -0.40 0.00 0.00 -0.72 0.00 0.00 41.12 40.15 2ka4 n ASP 437 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ka4 n LYS 438 N -0.17 0.48 0.00 -0.67 4.76 -1.10 -4.98 118.16 116.48 2ka4 n LYS 438 Ca 0.09 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 2ka4 n LYS 438 Cb 0.95 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.89 2ka4 n LYS 438 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57