#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 0.01 0.00 0.00 -1.32 -1.26 -5.20 115.64 107.87 2ka4 s THR 341 Ca 0.00 -1.23 0.00 0.00 -1.21 0.00 0.00 61.69 59.25 2ka4 s THR 341 Cb 0.00 -2.06 0.00 0.00 -1.51 0.00 0.00 72.50 68.93 2ka4 s THR 341 CO 0.00 -0.03 0.00 0.61 -2.21 0.00 0.00 174.62 172.99 2ka4 n GLY 342 N -0.39 -0.82 0.00 6.08 0.00 -1.26 -5.02 105.19 103.78 2ka4 n GLY 342 Ca -0.03 -1.03 0.07 0.00 0.00 0.00 0.00 46.02 45.02 2ka4 n GLY 342 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ka4 n PRO 343 N -0.14 0.07 0.19 1.61 -0.04 -1.26 -3.21 135.00 132.23 2ka4 n PRO 343 Ca 0.00 0.23 0.14 0.00 -0.04 0.00 0.00 63.50 63.83 2ka4 n PRO 343 Cb 0.00 -1.50 0.63 0.00 -0.04 0.00 0.00 33.50 32.59 2ka4 n PRO 343 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2ka4 h THR 344 N 0.00 0.00 -3.37 0.52 1.35 -2.05 -3.42 112.91 105.93 2ka4 h THR 344 Ca 0.00 -0.24 -0.64 0.00 -0.55 0.00 0.00 66.41 64.97 2ka4 h THR 344 Cb 0.19 1.03 -0.33 0.00 -1.73 0.00 0.00 68.15 67.31 2ka4 h THR 344 CO 0.00 0.00 -0.87 0.00 -0.25 0.00 0.00 175.52 174.40 2ka4 s ALA 345 N -3.53 1.97 -0.31 6.62 0.00 -1.20 -5.10 121.76 120.21 2ka4 s ALA 345 Ca 0.01 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.14 2ka4 s ALA 345 Cb 0.09 -0.75 0.15 0.00 0.00 0.00 0.00 23.12 22.61 2ka4 s ALA 345 CO 0.40 0.25 0.37 0.34 0.00 0.00 0.00 175.76 177.12 2ka4 s ASP 346 N 0.40 0.94 0.28 0.00 -1.08 -1.26 -4.92 116.67 111.03 2ka4 s ASP 346 Ca -0.18 -0.81 0.01 0.00 -0.52 0.00 0.00 52.55 51.06 2ka4 s ASP 346 Cb -0.17 0.80 0.64 0.00 -1.46 0.00 0.00 42.92 42.73 2ka4 s ASP 346 CO 0.08 -0.34 1.71 -0.65 0.52 0.00 0.00 175.17 176.49 2ka4 h PRO 347 N 7.90 0.42 -0.03 4.34 0.11 -1.99 -0.33 132.00 142.42 2ka4 h PRO 347 Ca -0.06 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.99 2ka4 h PRO 347 Cb 1.09 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2ka4 h PRO 347 CO 0.27 0.28 -0.08 1.49 -0.21 0.00 0.00 178.00 179.74 2ka4 h GLU 348 N 0.44 0.12 -0.46 1.05 4.81 -2.00 -2.63 114.58 115.90 2ka4 h GLU 348 Ca 0.51 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.66 2ka4 h GLU 348 Cb 0.91 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.28 2ka4 h GLU 348 CO -0.48 0.68 0.28 -0.22 -0.73 0.00 0.00 179.01 178.54 2ka4 h LYS 349 N -0.43 0.62 -0.67 1.92 3.64 -1.96 -2.21 116.57 117.47 2ka4 h LYS 349 Ca -0.00 -0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.46 2ka4 h LYS 349 Cb 0.68 -0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 32.27 2ka4 h LYS 349 CO 0.02 0.44 0.14 -0.09 -2.27 0.00 0.00 179.45 177.69 2ka4 h ARG 350 N 0.61 0.24 -0.08 1.90 1.12 -1.10 -0.93 114.38 116.14 2ka4 h ARG 350 Ca 0.16 -0.01 -0.15 0.00 -1.11 0.00 0.00 59.98 58.87 2ka4 h ARG 350 Cb -0.02 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 29.88 2ka4 h ARG 350 CO -0.03 0.16 -0.61 1.57 -3.11 0.00 0.00 179.97 177.95 2ka4 h LYS 351 N 0.25 0.29 -0.21 0.20 2.10 -1.21 -2.91 116.57 115.08 2ka4 h LYS 351 Ca 0.37 -0.20 0.03 0.00 -2.00 0.00 0.00 60.65 58.85 2ka4 h LYS 351 Cb 0.59 0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.92 2ka4 h LYS 351 CO -0.47 0.81 0.03 -0.07 -2.00 0.00 0.00 179.45 177.75 2ka4 h LEU 352 N 0.21 -0.01 -0.65 7.07 3.38 -0.55 0.45 115.31 125.20 2ka4 h LEU 352 Ca -0.01 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2ka4 h LEU 352 Cb 1.12 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 2ka4 h LEU 352 CO 0.10 0.02 0.06 0.16 0.09 0.00 0.00 178.44 178.87 2ka4 h ILE 353 N 0.11 1.27 -0.39 1.22 -2.65 -1.54 -2.00 117.51 113.52 2ka4 h ILE 353 Ca 0.09 -1.10 0.07 0.00 1.03 0.00 0.00 64.86 64.96 2ka4 h ILE 353 Cb 0.10 0.70 -0.06 0.00 -2.05 0.00 0.00 36.82 35.50 2ka4 h ILE 353 CO -0.14 0.41 0.02 1.56 0.03 0.00 0.00 178.15 180.03 2ka4 h GLN 354 N 1.02 0.12 -0.21 0.16 4.20 -1.22 -1.35 115.11 117.85 2ka4 h GLN 354 Ca 0.19 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 2ka4 h GLN 354 Cb 0.50 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 2ka4 h GLN 354 CO 0.02 0.08 0.03 1.96 -0.67 0.00 0.00 178.83 180.25 2ka4 h GLN 355 N 0.13 0.34 -0.49 1.46 4.20 -0.81 -2.06 115.11 117.88 2ka4 h GLN 355 Ca 0.19 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 2ka4 h GLN 355 Cb 0.26 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2ka4 h GLN 355 CO -0.30 0.51 0.20 0.37 -0.67 0.00 0.00 178.83 178.94 2ka4 h GLN 356 N 0.13 0.73 0.24 1.46 4.15 -1.25 -1.67 115.11 118.92 2ka4 h GLN 356 Ca 0.06 -0.13 0.01 0.00 0.77 0.00 0.00 58.65 59.36 2ka4 h GLN 356 Cb 0.33 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 2ka4 h GLN 356 CO 0.01 0.65 -0.34 1.25 -1.93 0.00 0.00 178.83 178.46 2ka4 h LEU 357 N 0.66 -0.95 -1.16 -2.39 6.46 -1.17 -2.21 115.31 114.55 2ka4 h LEU 357 Ca 0.17 0.09 0.01 0.00 -0.12 0.00 0.00 57.88 58.03 2ka4 h LEU 357 Cb 0.18 0.34 -0.04 0.00 -0.73 0.00 0.00 40.66 40.41 2ka4 h LEU 357 CO -0.01 -0.45 0.57 0.58 -0.62 0.00 0.00 178.44 178.50 2ka4 h VAL 358 N -0.64 1.21 -0.86 1.05 2.07 -1.35 -2.21 116.25 115.53 2ka4 h VAL 358 Ca 0.00 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.13 2ka4 h VAL 358 Cb 0.62 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 2ka4 h VAL 358 CO -0.13 0.21 0.57 -0.07 0.02 0.00 0.00 177.57 178.18 2ka4 h LEU 359 N 1.16 0.99 -0.41 2.57 3.38 -0.96 -0.88 115.31 121.14 2ka4 h LEU 359 Ca 0.32 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 2ka4 h LEU 359 Cb -0.11 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 2ka4 h LEU 359 CO -0.07 0.71 0.07 -0.07 0.09 0.00 0.00 178.44 179.17 2ka4 h LEU 360 N 1.16 0.65 -0.47 1.67 3.38 -0.82 -1.14 115.31 119.75 2ka4 h LEU 360 Ca 0.32 -0.26 0.06 0.00 0.09 0.00 0.00 57.88 58.09 2ka4 h LEU 360 Cb -0.13 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.39 2ka4 h LEU 360 CO -0.07 0.74 0.16 -0.07 0.09 0.00 0.00 178.44 179.29 2ka4 h LEU 361 N 0.54 0.15 0.83 1.67 3.38 -0.88 -0.49 115.31 120.50 2ka4 h LEU 361 Ca 0.13 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 2ka4 h LEU 361 Cb 0.37 0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.17 2ka4 h LEU 361 CO 0.01 0.11 -0.40 -0.74 0.09 0.00 0.00 178.44 177.51 2ka4 h HIS 362 N 0.32 -1.03 -0.90 1.13 2.76 -1.08 -3.21 115.15 113.14 2ka4 h HIS 362 Ca 0.22 -0.02 0.17 0.00 -2.20 0.00 0.00 60.37 58.54 2ka4 h HIS 362 Cb 0.24 0.34 -0.10 0.00 1.55 0.00 0.00 27.41 29.44 2ka4 h HIS 362 CO -0.17 -0.64 0.48 0.00 -1.30 0.00 0.00 177.93 176.31 2ka4 h ALA 363 N -1.44 1.41 0.41 5.26 0.00 -1.04 -0.12 119.26 123.74 2ka4 h ALA 363 Ca -0.11 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2ka4 h ALA 363 Cb 0.85 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2ka4 h ALA 363 CO 0.19 -0.10 -0.20 1.25 0.00 0.00 0.00 179.25 180.39 2ka4 h HIS 364 N 0.65 -0.52 -0.55 0.00 6.17 -1.15 0.11 115.15 119.86 2ka4 h HIS 364 Ca 0.51 -0.01 -0.06 0.00 0.71 0.00 0.00 60.37 61.51 2ka4 h HIS 364 Cb 0.76 0.17 -0.02 0.00 2.52 0.00 0.00 27.41 30.84 2ka4 h HIS 364 CO -0.07 -0.31 0.10 0.87 0.71 0.00 0.00 177.93 179.22 2ka4 h LYS 365 N -0.57 0.87 -0.69 5.26 1.57 -1.48 -2.18 116.57 119.36 2ka4 h LYS 365 Ca -0.06 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.50 2ka4 h LYS 365 Cb 0.44 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 2ka4 h LYS 365 CO 0.09 0.81 0.32 0.00 -0.57 0.00 0.00 179.45 180.10 2ka4 h GLN 367 N 0.98 1.11 -0.92 0.00 4.15 -0.31 -2.47 115.11 117.64 2ka4 h GLN 367 Ca 0.24 -0.19 0.03 0.00 0.77 0.00 0.00 58.65 59.51 2ka4 h GLN 367 Cb 0.11 -0.19 -0.05 0.00 0.21 0.00 0.00 27.48 27.56 2ka4 h GLN 367 CO -0.03 0.89 0.60 0.00 -1.93 0.00 0.00 178.83 178.35 2ka4 h ARG 368 N 1.07 1.12 -0.51 1.69 3.08 -0.75 -0.23 114.38 119.84 2ka4 h ARG 368 Ca 0.25 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.29 2ka4 h ARG 368 Cb 0.17 -0.25 -0.05 0.00 0.08 0.00 0.00 29.97 29.92 2ka4 h ARG 368 CO -0.03 0.74 0.23 0.00 -1.07 0.00 0.00 179.97 179.85 2ka4 h ARG 369 N 1.15 0.44 -0.04 0.04 3.08 -0.90 -1.38 114.38 116.78 2ka4 h ARG 369 Ca 0.37 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.37 2ka4 h ARG 369 Cb 0.01 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 2ka4 h ARG 369 CO -0.12 0.29 -0.06 0.93 -1.07 0.00 0.00 179.97 179.94 2ka4 h GLU 370 N 0.45 0.11 -0.07 0.04 5.08 -1.26 -3.29 114.58 115.64 2ka4 h GLU 370 Ca 0.24 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2ka4 h GLU 370 Cb 0.19 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2ka4 h GLU 370 CO -0.19 0.62 0.05 1.96 -1.00 0.00 0.00 179.01 180.44 2ka4 h GLN 371 N -0.40 0.08 0.00 2.33 4.20 -0.91 0.13 115.11 120.54 2ka4 h GLN 371 Ca 0.00 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2ka4 h GLN 371 Cb 0.61 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.37 2ka4 h GLN 371 CO 0.01 0.05 0.00 0.00 -0.67 0.00 0.00 178.83 178.23 2ka4 n ALA 372 N -2.53 1.52 -0.03 3.87 0.00 -0.53 -4.18 120.51 118.63 2ka4 n ALA 372 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2ka4 n ALA 372 Cb 0.10 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2ka4 n ALA 372 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2ka4 n ASN 373 N -1.99 0.00 0.00 0.00 5.15 -0.98 -5.05 115.26 112.39 2ka4 n ASN 373 Ca 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 2ka4 n ASN 373 Cb 0.17 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.42 2ka4 n ASN 373 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ka4 n GLY 374 N 0.00 3.11 3.42 8.20 0.00 0.42 -4.98 105.19 115.36 2ka4 n GLY 374 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2ka4 n GLY 374 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ka4 s GLU 375 N -0.30 0.91 0.31 1.61 2.12 -1.24 -4.90 118.70 117.21 2ka4 s GLU 375 Ca 0.00 0.14 -0.06 0.00 0.36 0.00 0.00 54.97 55.42 2ka4 s GLU 375 Cb 0.00 0.42 0.00 0.00 0.26 0.00 0.00 34.13 34.81 2ka4 s GLU 375 CO 0.00 -0.27 0.47 0.54 -0.54 0.00 0.00 175.26 175.46 2ka4 s VAL 376 N -1.14 0.00 -1.34 3.70 0.11 -1.26 -4.88 120.40 115.58 2ka4 s VAL 376 Ca -0.11 -1.55 0.02 0.00 -2.93 0.00 0.00 61.98 57.41 2ka4 s VAL 376 Cb -0.02 -2.53 0.02 0.00 -1.53 0.00 0.00 36.38 32.33 2ka4 s VAL 376 CO 0.08 0.00 0.89 0.54 -3.33 0.00 0.00 175.10 173.28 2ka4 n ARG 377 N -0.49 0.02 0.00 1.54 3.00 -1.26 -4.97 116.66 114.49 2ka4 n ARG 377 Ca -0.00 0.31 0.00 0.00 -0.01 0.00 0.00 57.85 58.15 2ka4 n ARG 377 Cb 0.62 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.58 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 -1.33 0.00 -3.00 7.54 0.00 -1.26 -5.05 120.51 117.42 2ka4 n ALA 378 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2ka4 n ALA 378 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -1.09 0.72 -4.63 0.00 3.41 -1.26 -5.08 113.62 105.69 2ka4 n SER 380 Ca 0.00 -1.35 -0.42 0.00 -0.26 0.00 0.00 58.87 56.84 2ka4 n SER 380 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2ka4 n SER 380 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2ka4 s LEU 381 N -0.35 3.98 0.36 1.04 1.98 -1.26 -4.90 118.68 119.53 2ka4 s LEU 381 Ca 0.00 2.30 0.27 0.00 -2.89 0.00 0.00 54.13 53.82 2ka4 s LEU 381 Cb 0.00 -3.52 1.19 0.00 0.66 0.00 0.00 46.19 44.52 2ka4 s LEU 381 CO 0.00 -1.47 1.21 -2.65 -1.89 0.00 0.00 176.35 171.55 2ka4 n PRO 382 N 8.10 -0.02 -0.24 0.98 -0.02 -1.26 -2.35 135.00 140.19 2ka4 n PRO 382 Ca 0.24 0.95 0.06 0.00 -2.02 0.00 0.00 63.50 62.74 2ka4 n PRO 382 Cb 0.43 -1.92 0.09 0.00 -0.02 0.00 0.00 33.50 32.07 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 -4.12 0.00 -0.06 6.00 8.25 -1.26 -4.84 115.22 119.18 2ka4 n HIS 383 Ca 0.32 -0.61 -0.07 0.00 -0.26 0.00 0.00 57.72 57.09 2ka4 n HIS 383 Cb 1.27 -0.11 -0.01 0.00 1.12 0.00 0.00 29.99 32.26 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 -0.15 0.68 -0.05 0.00 -0.00 -1.88 -1.20 114.38 111.77 2ka4 h ARG 385 Ca 0.15 -0.08 -0.00 0.00 -0.00 0.00 0.00 59.98 60.04 2ka4 h ARG 385 Cb 0.37 -0.13 -0.00 0.00 -0.00 0.00 0.00 29.97 30.21 2ka4 h ARG 385 CO -0.36 0.53 0.02 1.15 -0.00 0.00 0.00 179.97 181.30 2ka4 h THR 386 N 0.68 1.15 -0.24 0.08 2.02 -1.67 -2.45 112.91 112.48 2ka4 h THR 386 Ca 0.17 -0.44 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 2ka4 h THR 386 Cb 0.08 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 2ka4 h THR 386 CO -0.02 0.12 -0.01 0.24 0.37 0.00 0.00 175.52 176.22 2ka4 h MET 387 N -0.10 0.43 -0.64 6.66 2.86 -1.10 -2.61 114.93 120.42 2ka4 h MET 387 Ca 0.02 -0.14 0.09 0.00 -2.06 0.00 0.00 59.70 57.61 2ka4 h MET 387 Cb 0.18 -0.04 -0.07 0.00 0.06 0.00 0.00 31.60 31.73 2ka4 h MET 387 CO -0.00 0.61 0.28 0.87 1.06 0.00 0.00 176.91 179.73 2ka4 h LYS 388 N 0.20 0.49 -0.55 1.72 1.57 -1.21 0.19 116.57 118.97 2ka4 h LYS 388 Ca 0.07 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2ka4 h LYS 388 Cb 0.42 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 2ka4 h LYS 388 CO 0.01 0.32 0.34 -0.91 -0.57 0.00 0.00 179.45 178.64 2ka4 h ASN 389 N 0.50 0.66 -0.20 0.86 2.35 -1.41 -1.77 115.58 116.57 2ka4 h ASN 389 Ca 0.32 -0.05 -0.12 0.00 -0.55 0.00 0.00 56.30 55.89 2ka4 h ASN 389 Cb 0.35 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2ka4 h ASN 389 CO -0.28 0.52 -0.29 0.58 -1.65 0.00 0.00 177.43 176.32 2ka4 h VAL 390 N 0.75 1.28 -0.03 2.81 2.07 -0.96 -2.84 116.25 119.32 2ka4 h VAL 390 Ca 0.20 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 2ka4 h VAL 390 Cb -0.02 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2ka4 h VAL 390 CO -0.04 0.46 -0.02 -0.07 0.02 0.00 0.00 177.57 177.92 2ka4 h LEU 391 N 0.59 0.07 -1.62 2.57 3.38 -0.44 -0.44 115.31 119.42 2ka4 h LEU 391 Ca 0.07 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2ka4 h LEU 391 Cb 0.79 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2ka4 h LEU 391 CO 0.06 0.52 0.12 0.78 0.09 0.00 0.00 178.44 180.02 2ka4 h ASN 392 N -0.38 0.32 0.07 -0.43 -0.26 -1.40 -1.42 115.58 112.08 2ka4 h ASN 392 Ca 0.01 -0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.72 2ka4 h ASN 392 Cb 0.50 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.68 2ka4 h ASN 392 CO 0.01 0.29 -0.03 -0.74 -1.06 0.00 0.00 177.43 175.89 2ka4 h HIS 393 N 0.37 -0.09 -0.82 1.19 -0.00 -1.33 -3.14 115.15 111.33 2ka4 h HIS 393 Ca 0.09 -0.00 0.19 0.00 -0.00 0.00 0.00 60.37 60.65 2ka4 h HIS 393 Cb 0.06 0.03 -0.05 0.00 -0.00 0.00 0.00 27.41 27.44 2ka4 h HIS 393 CO 0.00 0.21 0.55 0.52 -0.00 0.00 0.00 177.93 179.22 2ka4 h MET 394 N -0.39 0.31 0.00 5.26 2.86 -0.47 -1.25 114.93 121.25 2ka4 h MET 394 Ca -0.01 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2ka4 h MET 394 Cb 0.34 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.93 2ka4 h MET 394 CO 0.02 0.20 0.00 2.41 1.06 0.00 0.00 176.91 180.60 2ka4 n THR 395 N -4.46 1.26 0.00 2.22 -1.04 -0.59 -3.13 114.28 108.54 2ka4 n THR 395 Ca 0.17 0.40 0.00 0.00 -2.04 0.00 0.00 64.05 62.57 2ka4 n THR 395 Cb 0.67 -1.30 0.00 0.00 -1.82 0.00 0.00 70.33 67.89 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 -1.77 0.00 -1.98 -1.42 8.25 -0.56 -5.09 115.22 112.65 2ka4 n HIS 396 Ca 0.01 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.10 2ka4 n HIS 396 Cb 0.11 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.25 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 -1.17 0.08 0.00 0.00 6.02 -1.26 -4.86 117.38 116.19 2ka4 n GLN 398 Ca 0.11 -0.98 0.14 0.00 -0.01 0.00 0.00 57.00 56.26 2ka4 n GLN 398 Cb 0.48 -0.55 0.52 0.00 1.02 0.00 0.00 30.24 31.70 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 -0.07 2.84 -0.71 -1.58 0.00 -1.26 -4.99 120.51 114.74 2ka4 n ALA 399 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.09 2ka4 n ALA 399 Cb 0.66 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 1.26 0.30 0.34 0.00 0.00 -1.26 -1.40 105.19 104.43 2ka4 n GLY 400 Ca 0.15 0.57 0.03 0.00 0.00 0.00 0.00 46.02 46.78 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 0.00 1.75 -0.05 1.61 5.02 -1.26 -4.46 118.16 120.77 2ka4 n LYS 401 Ca 0.00 -1.46 0.05 0.00 -2.02 0.00 0.00 58.31 54.87 2ka4 n LYS 401 Cb 0.00 -1.15 0.07 0.00 -0.02 0.00 0.00 35.03 33.93 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 0.21 2.14 -1.73 7.82 0.00 -0.49 -5.03 120.51 123.44 2ka4 n ALA 402 Ca 0.06 -1.72 -0.39 0.00 0.00 0.00 0.00 53.44 51.39 2ka4 n ALA 402 Cb 0.28 -0.19 0.04 0.00 0.00 0.00 0.00 19.45 19.58 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 1.39 0.00 -5.89 0.00 1.08 -1.98 -3.43 115.11 106.29 2ka4 h GLN 404 Ca -0.50 0.00 -0.61 0.00 -1.45 0.00 0.00 58.65 56.09 2ka4 h GLN 404 Cb 1.31 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.62 2ka4 h GLN 404 CO 0.57 0.00 0.55 0.08 -0.95 0.00 0.00 178.83 179.07 2ka4 s VAL 405 N -3.15 4.43 0.44 -0.54 1.01 -1.26 -4.95 120.40 116.38 2ka4 s VAL 405 Ca 0.08 0.35 0.24 0.00 0.00 0.00 0.00 61.98 62.65 2ka4 s VAL 405 Cb 0.12 -4.50 0.44 0.00 0.00 0.00 0.00 36.38 32.43 2ka4 s VAL 405 CO 0.66 -1.04 1.77 0.00 0.00 0.00 0.00 175.10 176.50 2ka4 h ALA 406 N 9.25 2.49 0.00 5.51 0.00 -2.03 -2.08 119.26 132.40 2ka4 h ALA 406 Ca -0.26 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 2ka4 h ALA 406 Cb 1.07 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2ka4 h ALA 406 CO 1.07 -0.89 -1.30 0.72 0.00 0.00 0.00 179.25 178.85 2ka4 n HIS 407 N -4.52 1.00 0.12 0.00 8.25 -1.26 -4.41 115.22 114.41 2ka4 n HIS 407 Ca 0.26 0.32 -0.05 0.00 -0.26 0.00 0.00 57.72 57.99 2ka4 n HIS 407 Cb 1.00 -1.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.03 2ka4 n HIS 407 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ka4 h ALA 409 N -1.74 1.58 -0.11 0.00 0.00 -1.78 0.54 119.26 117.75 2ka4 h ALA 409 Ca -0.03 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2ka4 h ALA 409 Cb 0.26 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2ka4 h ALA 409 CO 0.04 0.17 -0.02 0.77 0.00 0.00 0.00 179.25 180.21 2ka4 h SER 410 N 0.94 0.20 -0.31 0.00 0.02 -1.76 -2.99 113.55 109.65 2ka4 h SER 410 Ca 0.49 -0.35 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 2ka4 h SER 410 Cb 0.53 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 2ka4 h SER 410 CO -0.25 0.51 0.19 0.28 -1.14 0.00 0.00 176.83 176.42 2ka4 h SER 411 N -0.11 0.32 -1.00 3.07 0.02 -0.40 0.50 113.55 115.96 2ka4 h SER 411 Ca 0.03 -0.00 0.23 0.00 -0.84 0.00 0.00 61.79 61.20 2ka4 h SER 411 Cb 0.42 -0.07 -0.10 0.00 0.14 0.00 0.00 62.40 62.78 2ka4 h SER 411 CO 0.01 0.24 0.63 -0.09 -1.14 0.00 0.00 176.83 176.47 2ka4 h ARG 412 N 0.39 0.53 0.15 3.45 2.43 -0.95 -1.33 114.38 119.06 2ka4 h ARG 412 Ca 0.12 -0.03 -0.26 0.00 -0.81 0.00 0.00 59.98 58.99 2ka4 h ARG 412 Cb -0.03 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 29.41 2ka4 h ARG 412 CO -0.04 0.35 -1.26 0.37 -1.51 0.00 0.00 179.97 177.89 2ka4 h GLN 413 N 0.55 0.31 -0.95 0.20 5.75 -1.32 -3.37 115.11 116.28 2ka4 h GLN 413 Ca 0.58 -0.53 0.08 0.00 -0.15 0.00 0.00 58.65 58.63 2ka4 h GLN 413 Cb 1.21 0.20 -0.07 0.00 1.07 0.00 0.00 27.48 29.89 2ka4 h GLN 413 CO -0.33 1.25 0.61 0.97 -2.65 0.00 0.00 178.83 178.68 2ka4 h ILE 414 N -0.24 1.04 -0.22 2.39 2.10 0.01 -2.59 117.51 119.99 2ka4 h ILE 414 Ca -0.25 -0.36 -0.00 0.00 1.08 0.00 0.00 64.86 65.33 2ka4 h ILE 414 Cb 1.80 -0.10 -0.01 0.00 -1.09 0.00 0.00 36.82 37.42 2ka4 h ILE 414 CO 0.12 0.19 0.13 0.40 -1.08 0.00 0.00 178.15 177.91 2ka4 h ILE 415 N 1.05 1.09 -0.22 2.19 2.04 -1.47 -2.95 117.51 119.24 2ka4 h ILE 415 Ca 0.42 -0.24 0.07 0.00 1.00 0.00 0.00 64.86 66.11 2ka4 h ILE 415 Cb 0.27 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2ka4 h ILE 415 CO -0.18 0.09 0.19 0.28 0.00 0.00 0.00 178.15 178.54 2ka4 h SER 416 N 0.26 0.00 0.60 1.72 0.02 -1.62 -2.38 113.55 112.16 2ka4 h SER 416 Ca 0.08 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2ka4 h SER 416 Cb 0.03 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.58 2ka4 h SER 416 CO -0.01 0.00 -0.29 -0.74 -1.14 0.00 0.00 176.83 174.65 2ka4 h HIS 417 N 0.00 -0.75 -0.54 3.45 -0.00 -1.50 -3.28 115.15 112.54 2ka4 h HIS 417 Ca 0.11 -0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.52 2ka4 h HIS 417 Cb 0.49 0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 28.11 2ka4 h HIS 417 CO 0.00 -0.46 0.36 2.35 -0.00 0.00 0.00 177.93 180.18 2ka4 h TRP 418 N -1.21 0.48 0.00 5.26 2.91 -1.59 -0.12 115.95 121.68 2ka4 h TRP 418 Ca -0.08 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.95 2ka4 h TRP 418 Cb 0.62 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 29.11 2ka4 h TRP 418 CO 0.00 0.26 0.00 1.63 -1.03 0.00 0.00 178.44 179.30 2ka4 n LYS 419 N -4.47 0.11 0.00 2.65 4.76 -0.91 -4.05 118.16 116.26 2ka4 n LYS 419 Ca 0.07 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 56.05 2ka4 n LYS 419 Cb 0.25 -1.82 0.00 0.00 -1.84 0.00 0.00 35.03 31.62 2ka4 n LYS 419 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2ka4 n ASN 420 N -2.05 1.49 -4.76 4.39 3.02 -0.61 -5.09 115.26 111.66 2ka4 n ASN 420 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 2ka4 n ASN 420 Cb 0.08 0.14 -0.02 0.00 -0.61 0.00 0.00 39.78 39.37 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 1.63 0.08 -2.02 0.00 5.66 -1.26 -4.95 114.28 113.41 2ka4 n THR 422 Ca 0.05 -0.08 -0.42 0.00 -3.05 0.00 0.00 64.05 60.54 2ka4 n THR 422 Cb 0.40 0.95 -0.03 0.00 -1.55 0.00 0.00 70.33 70.10 2ka4 n THR 422 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 2ka4 s ARG 423 N -0.08 4.09 0.00 1.09 3.52 -1.26 -4.91 118.95 121.40 2ka4 s ARG 423 Ca 0.00 2.09 0.06 0.00 -0.13 0.00 0.00 55.73 57.75 2ka4 s ARG 423 Cb 0.00 -4.00 0.25 0.00 -1.56 0.00 0.00 34.95 29.64 2ka4 s ARG 423 CO 0.00 -0.95 1.14 -2.39 -0.81 0.00 0.00 175.30 172.29 2ka4 n HIS 424 N 7.47 0.00 -1.50 5.12 1.44 -1.26 -2.58 115.22 123.91 2ka4 n HIS 424 Ca 0.18 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.94 2ka4 n HIS 424 Cb 0.43 -0.45 0.07 0.00 0.12 0.00 0.00 29.99 30.17 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 -1.45 1.20 -4.67 4.39 5.75 -1.26 -4.93 116.55 115.57 2ka4 n ASP 425 Ca 0.02 -2.53 -0.48 0.00 -0.01 0.00 0.00 54.79 51.78 2ka4 n ASP 425 Cb 0.06 -0.31 -0.05 0.00 -1.03 0.00 0.00 41.12 39.79 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 7.59 0.00 0.02 0.00 0.13 -1.98 -1.35 132.00 136.41 2ka4 h PRO 427 Ca -0.47 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.28 2ka4 h PRO 427 Cb 1.27 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 2ka4 h PRO 427 CO 0.92 0.19 -2.12 0.28 -0.23 0.00 0.00 178.00 177.04 2ka4 n VAL 428 N -4.03 1.56 0.12 1.56 0.31 -1.26 -4.52 118.33 112.07 2ka4 n VAL 428 Ca -0.02 -0.37 -0.02 0.00 -0.01 0.00 0.00 64.34 63.92 2ka4 n VAL 428 Cb 0.27 -1.81 0.12 0.00 -0.91 0.00 0.00 33.84 31.51 2ka4 n VAL 428 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ka4 h LEU 430 N 0.00 -1.31 -1.45 0.00 5.85 -1.47 0.27 115.31 117.20 2ka4 h LEU 430 Ca -0.01 0.30 0.02 0.00 0.84 0.00 0.00 57.88 59.03 2ka4 h LEU 430 Cb 1.22 0.71 -0.03 0.00 0.37 0.00 0.00 40.66 42.93 2ka4 h LEU 430 CO 0.09 -0.30 0.39 1.55 -0.34 0.00 0.00 178.44 179.83 2ka4 h PRO 431 N -0.02 0.71 -0.13 5.25 0.13 -1.86 -0.16 132.00 135.93 2ka4 h PRO 431 Ca 0.35 -0.04 -0.18 0.00 -0.87 0.00 0.00 66.00 65.26 2ka4 h PRO 431 Cb 0.61 -0.16 0.01 0.00 0.13 0.00 0.00 31.00 31.59 2ka4 h PRO 431 CO -0.95 0.47 -0.62 -0.07 -0.23 0.00 0.00 178.00 176.60 2ka4 h LEU 432 N 0.73 0.77 -0.85 1.56 4.07 -0.92 0.19 115.31 120.86 2ka4 h LEU 432 Ca 0.22 -0.63 0.01 0.00 0.08 0.00 0.00 57.88 57.56 2ka4 h LEU 432 Cb -0.00 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.47 2ka4 h LEU 432 CO -0.05 1.28 0.56 0.11 -1.08 0.00 0.00 178.44 179.26 2ka4 h LYS 433 N 0.31 1.11 -0.30 1.13 1.57 -0.29 -2.24 116.57 117.87 2ka4 h LYS 433 Ca -0.04 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 2ka4 h LYS 433 Cb 1.26 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2ka4 h LYS 433 CO 0.13 0.74 0.02 -0.91 -0.57 0.00 0.00 179.45 178.85 2ka4 h ASN 434 N 1.15 0.49 0.00 0.86 2.35 -1.02 -2.79 115.58 116.62 2ka4 h ASN 434 Ca 0.32 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2ka4 h ASN 434 Cb -0.12 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.12 2ka4 h ASN 434 CO -0.07 0.66 0.29 0.00 -1.65 0.00 0.00 177.43 176.66 2ka4 h ALA 435 N 0.85 1.28 -0.15 -0.83 0.00 -0.37 -1.75 119.26 118.28 2ka4 h ALA 435 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 2ka4 h ALA 435 Cb 0.40 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 17.91 2ka4 h ALA 435 CO 0.01 -0.28 -0.86 0.45 0.00 0.00 0.00 179.25 178.57 2ka4 n SER 436 N -2.77 1.75 0.00 0.00 2.88 -0.97 -4.76 113.62 109.74 2ka4 n SER 436 Ca -0.02 -2.79 0.00 0.00 -1.33 0.00 0.00 58.87 54.74 2ka4 n SER 436 Cb 0.34 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.39 2ka4 n SER 436 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2ka4 n ASP 437 N -0.30 0.00 0.28 -3.46 2.03 -0.77 -4.88 116.55 109.44 2ka4 n ASP 437 Ca 0.14 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.61 2ka4 n ASP 437 Cb 0.93 0.00 0.91 0.00 -0.72 0.00 0.00 41.12 42.24 2ka4 n ASP 437 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2ka4 h LYS 438 N 0.00 0.00 0.00 -0.67 1.63 -1.62 -3.50 116.57 112.40 2ka4 h LYS 438 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2ka4 h LYS 438 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2ka4 h LYS 438 CO 0.00 0.00 0.00 0.54 -3.45 0.00 0.00 179.45 176.54