#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 -2.08 -3.40 112.91 108.78 2ka4 h THR 341 Ca 0.00 -0.50 -0.18 0.00 -0.55 0.00 0.00 66.41 65.18 2ka4 h THR 341 Cb 0.00 1.42 -0.13 0.00 -1.73 0.00 0.00 68.15 67.71 2ka4 h THR 341 CO 0.00 0.00 -0.19 0.61 -0.25 0.00 0.00 175.52 175.69 2ka4 n GLY 342 N 0.36 -0.15 0.19 5.82 0.00 -1.26 -5.02 105.19 105.13 2ka4 n GLY 342 Ca 0.02 0.28 0.13 0.00 0.00 0.00 0.00 46.02 46.45 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 2.39 0.00 0.00 1.61 0.13 -2.10 -2.22 132.00 131.81 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 -0.04 0.25 -0.23 0.00 0.00 178.00 178.00 2ka4 n THR 344 N -2.39 1.04 -2.41 1.56 -2.24 -1.26 -5.09 114.28 103.50 2ka4 n THR 344 Ca -0.02 -1.15 -0.37 0.00 -2.27 0.00 0.00 64.05 60.24 2ka4 n THR 344 Cb 0.05 0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 2ka4 n THR 344 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ka4 s ALA 345 N -1.33 3.06 -0.31 6.98 0.00 -0.84 -5.05 121.76 124.27 2ka4 s ALA 345 Ca 0.09 0.82 0.05 0.00 0.00 0.00 0.00 51.96 52.92 2ka4 s ALA 345 Cb 0.08 -3.32 0.19 0.00 0.00 0.00 0.00 23.12 20.07 2ka4 s ALA 345 CO 0.01 -0.40 0.64 0.34 0.00 0.00 0.00 175.76 176.35 2ka4 s ASP 346 N -1.42 -1.50 0.26 0.00 -1.08 -1.26 -5.08 116.67 106.58 2ka4 s ASP 346 Ca 0.59 -0.01 -0.02 0.00 -0.52 0.00 0.00 52.55 52.60 2ka4 s ASP 346 Cb -0.26 1.94 0.54 0.00 -1.46 0.00 0.00 42.92 43.68 2ka4 s ASP 346 CO 0.32 -0.25 1.72 -0.65 0.52 0.00 0.00 175.17 176.83 2ka4 h PRO 347 N 7.71 0.44 -0.03 4.34 0.11 -1.98 0.41 132.00 142.99 2ka4 h PRO 347 Ca -0.01 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 2ka4 h PRO 347 Cb 1.19 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2ka4 h PRO 347 CO 0.12 0.29 -0.06 1.49 -0.21 0.00 0.00 178.00 179.63 2ka4 h GLU 348 N 0.45 0.10 -0.71 1.05 4.81 -1.99 -2.56 114.58 115.74 2ka4 h GLU 348 Ca 0.46 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.57 2ka4 h GLU 348 Cb 0.74 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 2ka4 h GLU 348 CO -0.44 0.62 0.23 -0.22 -0.73 0.00 0.00 179.01 178.48 2ka4 h LYS 349 N -0.41 1.09 -0.53 1.92 3.11 -1.96 -2.31 116.57 117.48 2ka4 h LYS 349 Ca 0.00 -0.23 0.08 0.00 -2.81 0.00 0.00 60.65 57.69 2ka4 h LYS 349 Cb 0.62 -0.16 -0.06 0.00 -1.00 0.00 0.00 32.23 31.62 2ka4 h LYS 349 CO 0.01 0.93 0.19 -0.09 -2.81 0.00 0.00 179.45 177.68 2ka4 h ARG 350 N 1.03 0.35 -0.32 1.90 1.12 -0.97 -1.98 114.38 115.52 2ka4 h ARG 350 Ca 0.23 -0.02 -0.07 0.00 -1.11 0.00 0.00 59.98 59.01 2ka4 h ARG 350 Cb 0.29 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.15 2ka4 h ARG 350 CO -0.01 0.23 -0.09 0.87 -3.11 0.00 0.00 179.97 177.87 2ka4 h LYS 351 N 0.37 0.54 -0.14 0.20 1.57 -1.15 -2.73 116.57 115.23 2ka4 h LYS 351 Ca 0.26 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2ka4 h LYS 351 Cb 0.29 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2ka4 h LYS 351 CO -0.26 0.63 0.07 -0.07 -0.57 0.00 0.00 179.45 179.24 2ka4 h LEU 352 N 0.50 0.18 -0.78 2.94 3.38 -0.81 0.58 115.31 121.30 2ka4 h LEU 352 Ca 0.10 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2ka4 h LEU 352 Cb 0.46 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2ka4 h LEU 352 CO 0.02 0.24 0.23 0.16 0.09 0.00 0.00 178.44 179.18 2ka4 h ILE 353 N 0.10 1.26 -0.39 1.22 -2.65 -1.50 -1.47 117.51 114.08 2ka4 h ILE 353 Ca 0.05 -0.90 0.04 0.00 1.03 0.00 0.00 64.86 65.08 2ka4 h ILE 353 Cb 0.10 0.45 -0.04 0.00 -2.05 0.00 0.00 36.82 35.28 2ka4 h ILE 353 CO -0.01 0.36 0.16 1.56 0.03 0.00 0.00 178.15 180.25 2ka4 h GLN 354 N 1.10 0.32 -0.24 0.16 4.20 -1.24 -0.58 115.11 118.83 2ka4 h GLN 354 Ca 0.24 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 2ka4 h GLN 354 Cb 0.30 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 2ka4 h GLN 354 CO -0.01 0.21 0.04 1.96 -0.67 0.00 0.00 178.83 180.36 2ka4 h GLN 355 N 0.33 0.40 -0.41 1.46 4.20 -0.65 -1.57 115.11 118.86 2ka4 h GLN 355 Ca 0.18 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 2ka4 h GLN 355 Cb 0.14 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 2ka4 h GLN 355 CO -0.16 0.53 0.17 0.37 -0.67 0.00 0.00 178.83 179.07 2ka4 h GLN 356 N 0.20 0.62 0.11 1.46 4.15 -1.18 -1.80 115.11 118.67 2ka4 h GLN 356 Ca 0.07 -0.11 0.02 0.00 0.77 0.00 0.00 58.65 59.40 2ka4 h GLN 356 Cb 0.33 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 27.88 2ka4 h GLN 356 CO 0.01 0.57 -0.39 1.25 -1.93 0.00 0.00 178.83 178.34 2ka4 h LEU 357 N 0.52 -1.14 -1.12 -2.39 5.85 -1.02 -2.08 115.31 113.93 2ka4 h LEU 357 Ca 0.14 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 2ka4 h LEU 357 Cb 0.18 0.43 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 2ka4 h LEU 357 CO -0.01 -0.47 0.52 0.58 -0.34 0.00 0.00 178.44 178.73 2ka4 h VAL 358 N -0.62 1.23 -0.83 1.05 2.07 -1.27 -2.09 116.25 115.80 2ka4 h VAL 358 Ca 0.03 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.10 2ka4 h VAL 358 Cb 0.65 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 2ka4 h VAL 358 CO -0.23 0.23 0.55 -0.07 0.02 0.00 0.00 177.57 178.07 2ka4 h LEU 359 N 1.15 0.93 -0.31 2.57 3.38 -0.94 -0.65 115.31 121.44 2ka4 h LEU 359 Ca 0.30 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 2ka4 h LEU 359 Cb -0.08 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 2ka4 h LEU 359 CO -0.06 0.66 -0.02 -0.07 0.09 0.00 0.00 178.44 179.04 2ka4 h LEU 360 N 1.09 0.56 -0.73 1.67 3.38 -0.78 -0.98 115.31 119.51 2ka4 h LEU 360 Ca 0.31 -0.33 0.08 0.00 0.09 0.00 0.00 57.88 58.03 2ka4 h LEU 360 Cb -0.08 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.45 2ka4 h LEU 360 CO -0.08 0.75 0.40 -0.07 0.09 0.00 0.00 178.44 179.54 2ka4 h LEU 361 N 0.35 0.57 0.68 1.67 3.38 -0.81 -0.27 115.31 120.88 2ka4 h LEU 361 Ca 0.09 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2ka4 h LEU 361 Cb 0.48 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.17 2ka4 h LEU 361 CO 0.02 0.34 -0.33 -0.74 0.09 0.00 0.00 178.44 177.83 2ka4 h HIS 362 N 0.70 -0.84 -0.68 1.13 2.76 -1.03 -3.22 115.15 113.97 2ka4 h HIS 362 Ca 0.35 -0.02 0.13 0.00 -2.20 0.00 0.00 60.37 58.63 2ka4 h HIS 362 Cb 0.29 0.28 -0.04 0.00 1.55 0.00 0.00 27.41 29.49 2ka4 h HIS 362 CO -0.08 -0.49 0.46 0.00 -1.30 0.00 0.00 177.93 176.51 2ka4 h ALA 363 N -0.95 2.11 0.67 5.26 0.00 -0.93 0.19 119.26 125.61 2ka4 h ALA 363 Ca -0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2ka4 h ALA 363 Cb 0.73 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2ka4 h ALA 363 CO 0.15 -0.29 -0.44 1.25 0.00 0.00 0.00 179.25 179.92 2ka4 h HIS 364 N 0.38 -1.19 -0.84 0.00 6.17 -1.09 0.61 115.15 119.19 2ka4 h HIS 364 Ca 0.33 -0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.39 2ka4 h HIS 364 Cb 0.75 0.43 -0.04 0.00 2.52 0.00 0.00 27.41 31.07 2ka4 h HIS 364 CO -0.00 -0.66 0.50 -0.22 0.71 0.00 0.00 177.93 178.27 2ka4 h LYS 365 N -1.06 1.14 -0.65 5.26 3.64 -1.41 -2.78 116.57 120.71 2ka4 h LYS 365 Ca -0.08 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.17 2ka4 h LYS 365 Cb 0.86 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 2ka4 h LYS 365 CO 0.07 0.80 0.31 0.00 -2.27 0.00 0.00 179.45 178.36 2ka4 h GLN 367 N 0.91 0.00 -0.00 0.00 5.75 -0.64 -2.39 115.11 118.73 2ka4 h GLN 367 Ca 0.22 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.72 2ka4 h GLN 367 Cb 0.13 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.68 2ka4 h GLN 367 CO -0.03 0.00 -0.40 0.54 -2.65 0.00 0.00 178.83 176.30 2ka4 n ARG 368 N -3.04 0.00 -0.28 1.69 1.74 -0.68 -4.36 116.66 111.73 2ka4 n ARG 368 Ca -0.01 -0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.14 2ka4 n ARG 368 Cb 0.17 -1.50 0.23 0.00 -1.02 0.00 0.00 32.46 30.33 2ka4 n ARG 368 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2ka4 h ARG 369 N 0.00 0.51 0.00 5.56 3.08 -1.29 0.54 114.38 122.78 2ka4 h ARG 369 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2ka4 h ARG 369 Cb 0.50 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2ka4 h ARG 369 CO 0.00 0.34 0.00 0.39 -1.07 0.00 0.00 179.97 179.63 2ka4 n GLU 370 N -4.94 0.25 0.01 0.04 1.02 -1.25 -1.50 120.64 114.28 2ka4 n GLU 370 Ca 0.17 0.27 -0.20 0.00 -0.02 0.00 0.00 57.16 57.38 2ka4 n GLU 370 Cb 0.46 -1.84 -0.14 0.00 -0.02 0.00 0.00 31.44 29.91 2ka4 n GLU 370 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2ka4 h GLN 371 N 0.00 0.26 0.00 3.49 4.15 -1.40 -3.34 115.11 118.27 2ka4 h GLN 371 Ca 0.00 -0.45 0.00 0.00 0.77 0.00 0.00 58.65 58.97 2ka4 h GLN 371 Cb 0.65 0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.51 2ka4 h GLN 371 CO 0.00 1.17 -0.86 0.00 -1.93 0.00 0.00 178.83 177.21 2ka4 h ALA 372 N 0.16 0.50 0.00 3.38 0.00 -0.98 -3.46 119.26 118.87 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 0.10 0.00 0.00 -1.71 0.00 0.00 0.00 179.25 177.64 2ka4 n ASN 373 N -2.35 -0.05 0.00 0.00 5.15 -0.56 -5.07 115.26 112.37 2ka4 n ASN 373 Ca 0.02 0.31 0.00 0.00 -0.60 0.00 0.00 54.58 54.30 2ka4 n ASN 373 Cb 0.49 0.24 0.00 0.00 -0.53 0.00 0.00 39.78 39.98 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 1.66 -0.49 3.26 8.20 0.00 -1.11 -5.01 105.19 111.69 2ka4 n GLY 374 Ca 0.00 -1.20 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.73 0.00 -3.86 1.61 0.28 -1.26 -3.82 120.64 112.85 2ka4 n GLU 375 Ca 0.00 -0.74 -0.13 0.00 -0.16 0.00 0.00 57.16 56.13 2ka4 n GLU 375 Cb 0.00 -2.21 -0.15 0.00 1.43 0.00 0.00 31.44 30.52 2ka4 n GLU 375 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2ka4 s VAL 376 N 5.90 0.01 -0.31 3.84 0.11 -1.26 -5.07 120.40 123.63 2ka4 s VAL 376 Ca 0.37 0.04 0.19 0.00 -2.93 0.00 0.00 61.98 59.65 2ka4 s VAL 376 Cb 0.08 -0.05 0.47 0.00 -1.53 0.00 0.00 36.38 35.35 2ka4 s VAL 376 CO 0.19 0.03 1.07 -2.11 -3.33 0.00 0.00 175.10 170.95 2ka4 n ARG 377 N 3.36 1.37 0.00 1.54 0.00 -1.26 -4.47 116.66 117.20 2ka4 n ARG 377 Ca -0.16 -3.13 0.00 0.00 -0.00 0.00 0.00 57.85 54.56 2ka4 n ARG 377 Cb 0.57 -1.19 0.00 0.00 -0.00 0.00 0.00 32.46 31.84 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 -0.38 1.79 -0.62 2.89 0.00 -1.26 -4.91 120.51 118.01 2ka4 n ALA 378 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.21 2ka4 n ALA 378 Cb 0.82 -1.00 0.24 0.00 0.00 0.00 0.00 19.45 19.51 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 -4.80 0.00 -4.69 0.00 7.64 -1.26 -5.11 113.62 105.40 2ka4 n SER 380 Ca 0.04 -1.00 -0.42 0.00 1.01 0.00 0.00 58.87 58.49 2ka4 n SER 380 Cb 0.54 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.71 2ka4 n SER 380 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2ka4 n LEU 381 N 0.00 4.05 -0.51 -3.43 -0.00 -1.26 -4.88 117.00 110.97 2ka4 n LEU 381 Ca 0.00 0.98 0.42 0.00 -0.00 0.00 0.00 56.01 57.41 2ka4 n LEU 381 Cb 0.35 -1.54 0.74 0.00 -0.00 0.00 0.00 43.42 42.97 2ka4 n LEU 381 CO 0.00 0.18 1.36 -0.65 -0.00 0.00 0.00 177.39 178.28 2ka4 h PRO 382 N 8.82 0.04 0.00 1.96 0.11 -2.04 -2.32 132.00 138.58 2ka4 h PRO 382 Ca -0.47 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 2ka4 h PRO 382 Cb 1.23 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 2ka4 h PRO 382 CO 0.95 0.03 -0.43 0.72 -0.21 0.00 0.00 178.00 179.05 2ka4 n HIS 383 N -4.25 0.00 -0.15 0.65 8.25 -1.26 -4.87 115.22 113.59 2ka4 n HIS 383 Ca 0.37 -0.68 -0.04 0.00 -0.26 0.00 0.00 57.72 57.11 2ka4 n HIS 383 Cb 1.59 -0.14 0.05 0.00 1.12 0.00 0.00 29.99 32.62 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 0.30 0.78 -0.04 0.00 -0.00 -1.89 -0.64 114.38 112.89 2ka4 h ARG 385 Ca 0.22 -0.08 -0.00 0.00 -0.00 0.00 0.00 59.98 60.12 2ka4 h ARG 385 Cb 0.25 -0.16 -0.00 0.00 -0.00 0.00 0.00 29.97 30.06 2ka4 h ARG 385 CO -0.25 0.58 0.02 1.15 -0.00 0.00 0.00 179.97 181.47 2ka4 h THR 386 N 0.79 1.11 -0.17 0.08 2.02 -1.68 -1.70 112.91 113.35 2ka4 h THR 386 Ca 0.20 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 2ka4 h THR 386 Cb 0.03 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 2ka4 h THR 386 CO -0.03 0.09 0.01 0.24 0.37 0.00 0.00 175.52 176.20 2ka4 h MET 387 N -0.06 0.29 -0.75 6.66 2.86 -1.16 -2.57 114.93 120.20 2ka4 h MET 387 Ca 0.01 -0.09 0.10 0.00 -2.06 0.00 0.00 59.70 57.67 2ka4 h MET 387 Cb 0.12 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 31.68 2ka4 h MET 387 CO -0.00 0.49 0.38 0.87 1.06 0.00 0.00 176.91 179.71 2ka4 h LYS 388 N 0.06 0.61 -0.28 1.72 1.57 -1.06 0.14 116.57 119.34 2ka4 h LYS 388 Ca 0.05 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2ka4 h LYS 388 Cb 0.34 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2ka4 h LYS 388 CO 0.01 0.41 0.14 -0.91 -0.57 0.00 0.00 179.45 178.53 2ka4 h ASN 389 N 0.63 0.37 -0.41 0.86 2.35 -1.27 -1.68 115.58 116.42 2ka4 h ASN 389 Ca 0.37 -0.11 -0.06 0.00 -0.55 0.00 0.00 56.30 55.95 2ka4 h ASN 389 Cb 0.41 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 2ka4 h ASN 389 CO -0.28 0.37 0.06 0.58 -1.65 0.00 0.00 177.43 176.51 2ka4 h VAL 390 N 0.33 1.23 -0.06 2.81 2.07 -0.93 -1.99 116.25 119.71 2ka4 h VAL 390 Ca 0.10 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 2ka4 h VAL 390 Cb 0.10 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2ka4 h VAL 390 CO -0.01 0.32 -0.07 -0.07 0.02 0.00 0.00 177.57 177.75 2ka4 h LEU 391 N 0.73 0.17 -0.89 2.57 3.38 -0.61 0.32 115.31 120.98 2ka4 h LEU 391 Ca 0.15 -0.51 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 2ka4 h LEU 391 Cb 0.36 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2ka4 h LEU 391 CO 0.01 0.64 0.53 0.78 0.09 0.00 0.00 178.44 180.49 2ka4 h ASN 392 N -0.30 1.07 0.21 -0.43 2.35 -1.31 -2.05 115.58 115.13 2ka4 h ASN 392 Ca 0.01 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 2ka4 h ASN 392 Cb 0.60 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.70 2ka4 h ASN 392 CO 0.02 0.83 -0.10 -0.74 -1.65 0.00 0.00 177.43 175.78 2ka4 h HIS 393 N 1.22 -0.27 -0.88 1.19 2.76 -1.30 -3.02 115.15 114.85 2ka4 h HIS 393 Ca 0.32 -0.01 0.20 0.00 -2.20 0.00 0.00 60.37 58.68 2ka4 h HIS 393 Cb -0.04 0.09 -0.06 0.00 1.55 0.00 0.00 27.41 28.94 2ka4 h HIS 393 CO 0.00 -0.13 0.59 0.52 -1.30 0.00 0.00 177.93 177.61 2ka4 h MET 394 N -0.33 0.38 0.00 5.26 2.86 -0.68 -0.32 114.93 122.10 2ka4 h MET 394 Ca -0.03 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2ka4 h MET 394 Cb 0.25 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2ka4 h MET 394 CO 0.05 0.25 0.00 2.41 1.06 0.00 0.00 176.91 180.68 2ka4 n THR 395 N -4.50 1.24 0.00 2.22 -1.04 -0.79 -3.21 114.28 108.21 2ka4 n THR 395 Ca 0.19 0.31 0.00 0.00 -2.04 0.00 0.00 64.05 62.51 2ka4 n THR 395 Cb 0.69 -1.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.03 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 -1.44 0.00 -1.87 -1.42 8.25 -0.47 -5.09 115.22 113.18 2ka4 n HIS 396 Ca 0.03 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.08 2ka4 n HIS 396 Cb 0.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 0.14 1.16 0.00 0.00 6.02 -1.26 -4.85 117.38 118.58 2ka4 n GLN 398 Ca 0.03 -0.87 0.09 0.00 -0.01 0.00 0.00 57.00 56.24 2ka4 n GLN 398 Cb 0.41 -0.73 0.52 0.00 1.02 0.00 0.00 30.24 31.46 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 -0.20 2.50 -0.77 -1.58 0.00 -1.26 -5.01 120.51 114.19 2ka4 n ALA 399 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2ka4 n ALA 399 Cb 0.35 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 0.64 2.63 0.38 0.00 0.00 -1.26 -2.40 105.19 105.18 2ka4 n GLY 400 Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.90 -0.14 1.61 5.02 -1.26 -3.71 118.16 134.58 2ka4 n LYS 401 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.31 2ka4 n LYS 401 Cb 0.00 -1.35 0.03 0.00 -0.02 0.00 0.00 35.03 33.69 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 -0.08 1.77 -1.49 7.82 0.00 -1.01 -4.92 120.51 122.60 2ka4 n ALA 402 Ca 0.00 -1.21 -0.36 0.00 0.00 0.00 0.00 53.44 51.87 2ka4 n ALA 402 Cb 0.17 -0.21 0.08 0.00 0.00 0.00 0.00 19.45 19.50 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 0.03 0.00 -6.66 0.00 4.15 -1.96 -3.42 115.11 107.25 2ka4 h GLN 404 Ca -0.49 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.37 2ka4 h GLN 404 Cb 1.33 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.95 2ka4 h GLN 404 CO 0.49 0.35 0.90 0.08 -1.93 0.00 0.00 178.83 178.72 2ka4 s VAL 405 N -3.85 4.22 0.38 2.39 1.01 -1.26 -4.93 120.40 118.35 2ka4 s VAL 405 Ca -0.01 1.15 0.16 0.00 0.00 0.00 0.00 61.98 63.28 2ka4 s VAL 405 Cb 0.12 -4.60 0.37 0.00 0.00 0.00 0.00 36.38 32.28 2ka4 s VAL 405 CO 0.68 -1.02 1.77 0.00 0.00 0.00 0.00 175.10 176.53 2ka4 h ALA 406 N 9.24 2.13 0.00 5.51 0.00 -2.02 -1.95 119.26 132.17 2ka4 h ALA 406 Ca -0.23 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2ka4 h ALA 406 Cb 1.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2ka4 h ALA 406 CO 1.12 -0.54 -0.86 0.45 0.00 0.00 0.00 179.25 179.42 2ka4 h HIS 407 N 0.45 0.00 0.37 0.00 3.86 -1.95 -3.35 115.15 114.53 2ka4 h HIS 407 Ca 0.60 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.79 2ka4 h HIS 407 Cb 1.41 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.88 2ka4 h HIS 407 CO -0.00 0.00 -0.18 0.00 0.86 0.00 0.00 177.93 178.61 2ka4 h ALA 409 N -1.57 1.89 0.10 0.00 0.00 -1.76 0.03 119.26 117.95 2ka4 h ALA 409 Ca -0.05 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2ka4 h ALA 409 Cb 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2ka4 h ALA 409 CO 0.08 -0.11 -0.05 0.66 0.00 0.00 0.00 179.25 179.84 2ka4 h SER 410 N 0.63 -0.12 -0.46 0.00 4.64 -1.69 -3.17 113.55 113.38 2ka4 h SER 410 Ca 0.42 -0.40 0.09 0.00 -0.47 0.00 0.00 61.79 61.43 2ka4 h SER 410 Cb 0.70 0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 62.74 2ka4 h SER 410 CO -0.17 0.37 -0.03 0.28 -0.87 0.00 0.00 176.83 176.41 2ka4 h SER 411 N -0.65 -0.26 -0.95 4.97 0.02 -0.61 0.13 113.55 116.19 2ka4 h SER 411 Ca -0.01 0.12 0.25 0.00 -0.84 0.00 0.00 61.79 61.30 2ka4 h SER 411 Cb 0.51 0.22 -0.13 0.00 0.14 0.00 0.00 62.40 63.14 2ka4 h SER 411 CO 0.02 -0.09 0.48 -0.09 -1.14 0.00 0.00 176.83 176.02 2ka4 h ARG 412 N 0.08 0.43 0.16 3.45 2.43 -1.09 -0.89 114.38 118.95 2ka4 h ARG 412 Ca 0.23 -0.03 -0.29 0.00 -0.81 0.00 0.00 59.98 59.09 2ka4 h ARG 412 Cb 0.35 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2ka4 h ARG 412 CO -0.41 0.28 -1.41 0.37 -1.51 0.00 0.00 179.97 177.29 2ka4 h GLN 413 N 0.44 0.34 -0.63 0.20 5.75 -1.35 -3.35 115.11 116.50 2ka4 h GLN 413 Ca 0.62 -0.57 0.02 0.00 -0.15 0.00 0.00 58.65 58.57 2ka4 h GLN 413 Cb 1.22 0.21 -0.04 0.00 1.07 0.00 0.00 27.48 29.95 2ka4 h GLN 413 CO -0.53 1.28 0.40 0.97 -2.65 0.00 0.00 178.83 178.29 2ka4 h ILE 414 N -0.14 1.10 -0.56 2.39 2.10 0.06 -2.62 117.51 119.83 2ka4 h ILE 414 Ca -0.28 -0.27 0.03 0.00 1.08 0.00 0.00 64.86 65.42 2ka4 h ILE 414 Cb 1.89 0.24 -0.04 0.00 -1.09 0.00 0.00 36.82 37.82 2ka4 h ILE 414 CO 0.14 0.14 0.32 0.40 -1.08 0.00 0.00 178.15 178.07 2ka4 h ILE 415 N 0.78 1.02 -0.10 2.19 2.04 -1.39 -2.49 117.51 119.57 2ka4 h ILE 415 Ca 0.25 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.92 2ka4 h ILE 415 Cb -0.00 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2ka4 h ILE 415 CO -0.09 0.12 0.13 0.28 0.00 0.00 0.00 178.15 178.58 2ka4 h SER 416 N 0.63 0.00 0.20 1.72 0.02 -1.60 -2.41 113.55 112.11 2ka4 h SER 416 Ca 0.23 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 2ka4 h SER 416 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2ka4 h SER 416 CO -0.12 0.00 -0.10 -0.74 -1.14 0.00 0.00 176.83 174.73 2ka4 h HIS 417 N 0.00 -0.25 -0.20 3.45 -0.00 -1.42 -3.29 115.15 113.44 2ka4 h HIS 417 Ca 0.05 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.44 2ka4 h HIS 417 Cb 0.30 0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.78 2ka4 h HIS 417 CO 0.00 0.15 0.13 2.35 -0.00 0.00 0.00 177.93 180.56 2ka4 h TRP 418 N -0.89 0.16 0.00 5.26 -0.00 -1.59 -0.38 115.95 118.52 2ka4 h TRP 418 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.87 2ka4 h TRP 418 Cb 0.51 -0.05 0.00 0.00 -0.00 0.00 0.00 29.16 29.61 2ka4 h TRP 418 CO 0.07 0.09 0.00 1.63 -0.00 0.00 0.00 178.44 180.23 2ka4 n LYS 419 N -4.50 0.15 0.00 2.65 4.76 -0.92 -4.17 118.16 116.13 2ka4 n LYS 419 Ca 0.01 0.48 0.00 0.00 -2.87 0.00 0.00 58.31 55.93 2ka4 n LYS 419 Cb 0.16 -1.85 0.00 0.00 -1.84 0.00 0.00 35.03 31.49 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 -2.15 2.08 -4.76 4.39 3.02 -0.61 -5.09 115.26 112.14 2ka4 n ASN 420 Ca 0.01 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.15 2ka4 n ASN 420 Cb 0.15 0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 39.47 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 1.24 0.00 -1.63 0.00 -2.24 -1.26 -4.94 114.28 105.45 2ka4 n THR 422 Ca 0.01 -0.20 -0.41 0.00 -2.27 0.00 0.00 64.05 61.19 2ka4 n THR 422 Cb 0.42 1.42 -0.03 0.00 -2.10 0.00 0.00 70.33 70.04 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 -0.12 2.78 0.00 -0.78 3.52 -1.26 -4.88 118.95 118.21 2ka4 s ARG 423 Ca 0.00 1.74 0.08 0.00 -0.13 0.00 0.00 55.73 57.42 2ka4 s ARG 423 Cb 0.00 -4.43 0.44 0.00 -1.56 0.00 0.00 34.95 29.39 2ka4 s ARG 423 CO 0.00 -2.50 0.98 -2.39 -0.81 0.00 0.00 175.30 170.58 2ka4 n HIS 424 N 13.05 0.00 -1.32 5.12 1.44 -1.26 -2.44 115.22 129.81 2ka4 n HIS 424 Ca 0.31 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 56.06 2ka4 n HIS 424 Cb 0.49 -0.09 0.05 0.00 0.12 0.00 0.00 29.99 30.55 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 -1.09 0.99 -4.69 4.39 5.75 -1.26 -4.86 116.55 115.78 2ka4 n ASP 425 Ca 0.05 -2.20 -0.44 0.00 -0.01 0.00 0.00 54.79 52.19 2ka4 n ASP 425 Cb 0.04 -0.22 -0.04 0.00 -1.03 0.00 0.00 41.12 39.87 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 8.00 0.67 0.01 0.00 0.13 -1.98 -1.04 132.00 137.80 2ka4 h PRO 427 Ca -0.46 -0.04 -0.22 0.00 -0.87 0.00 0.00 66.00 64.41 2ka4 h PRO 427 Cb 1.23 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 2ka4 h PRO 427 CO 0.94 0.44 -1.19 0.28 -0.23 0.00 0.00 178.00 178.25 2ka4 h VAL 428 N 0.69 0.99 0.00 1.56 2.07 -1.91 -3.40 116.25 116.25 2ka4 h VAL 428 Ca 0.57 -2.21 -0.07 0.00 0.82 0.00 0.00 66.70 65.81 2ka4 h VAL 428 Cb 0.91 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 33.04 2ka4 h VAL 428 CO -0.40 0.39 -0.33 0.00 0.02 0.00 0.00 177.57 177.25 2ka4 n LEU 430 N -3.53 -0.70 -0.13 0.00 -0.00 -0.40 -0.44 117.00 111.79 2ka4 n LEU 430 Ca -0.00 1.69 0.02 0.00 -0.00 0.00 0.00 56.01 57.71 2ka4 n LEU 430 Cb 0.47 -0.35 0.31 0.00 -0.00 0.00 0.00 43.42 43.85 2ka4 n LEU 430 CO 0.36 -1.49 1.21 1.55 -0.00 0.00 0.00 177.39 179.02 2ka4 h PRO 431 N 0.00 0.82 -0.30 1.96 0.13 -1.87 0.29 132.00 133.02 2ka4 h PRO 431 Ca 0.30 -0.05 -0.17 0.00 -0.87 0.00 0.00 66.00 65.22 2ka4 h PRO 431 Cb 0.54 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.49 2ka4 h PRO 431 CO -0.95 0.54 -0.46 -0.07 -0.23 0.00 0.00 178.00 176.84 2ka4 h LEU 432 N 0.84 0.92 -1.46 1.56 4.07 -1.02 0.53 115.31 120.76 2ka4 h LEU 432 Ca 0.23 -0.51 -0.05 0.00 0.08 0.00 0.00 57.88 57.63 2ka4 h LEU 432 Cb -0.10 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.37 2ka4 h LEU 432 CO -0.05 1.26 -0.19 0.11 -1.08 0.00 0.00 178.44 178.49 2ka4 h LYS 433 N 0.62 0.11 -0.05 1.13 1.57 -0.40 -2.08 116.57 117.47 2ka4 h LYS 433 Ca 0.03 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2ka4 h LYS 433 Cb 1.06 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2ka4 h LYS 433 CO 0.11 0.31 -0.26 -0.91 -0.57 0.00 0.00 179.45 178.13 2ka4 h ASN 434 N 0.11 0.32 0.00 0.86 2.35 -0.79 -1.35 115.58 117.07 2ka4 h ASN 434 Ca 0.02 -0.65 0.00 0.00 -0.55 0.00 0.00 56.30 55.12 2ka4 h ASN 434 Cb 0.40 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.68 2ka4 h ASN 434 CO 0.03 0.92 0.20 0.00 -1.65 0.00 0.00 177.43 176.93 2ka4 h ALA 435 N 0.40 1.15 0.00 -0.83 0.00 -0.26 -2.47 119.26 117.25 2ka4 h ALA 435 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ka4 h ALA 435 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2ka4 h ALA 435 CO 0.05 -0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.03 2ka4 n SER 436 N -2.27 0.32 -1.75 0.00 3.41 -0.84 -4.91 113.62 107.58 2ka4 n SER 436 Ca -0.01 -0.89 -0.03 0.00 -0.26 0.00 0.00 58.87 57.69 2ka4 n SER 436 Cb 0.23 0.05 0.01 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.05 -0.41 0.00 4.04 2.03 -0.51 -4.96 116.55 116.69 2ka4 n ASP 437 Ca 0.00 -2.06 0.03 0.00 0.52 0.00 0.00 54.79 53.28 2ka4 n ASP 437 Cb 0.13 0.19 0.15 0.00 -0.72 0.00 0.00 41.12 40.87 2ka4 n ASP 437 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2ka4 n LYS 438 N -0.37 0.02 0.00 -0.67 4.81 -0.95 -4.86 118.16 116.14 2ka4 n LYS 438 Ca -0.14 0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 2ka4 n LYS 438 Cb 0.85 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.40 2ka4 n LYS 438 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11