#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 4.01 -0.30 0.00 -1.32 -1.26 -5.06 115.64 111.71 2ka4 s THR 341 Ca 0.00 0.52 0.02 0.00 -1.21 0.00 0.00 61.69 61.03 2ka4 s THR 341 Cb 0.00 -3.63 0.18 0.00 -1.51 0.00 0.00 72.50 67.54 2ka4 s THR 341 CO 0.00 -0.79 1.25 0.61 -2.21 0.00 0.00 174.62 173.48 2ka4 n GLY 342 N -2.81 -1.48 0.29 6.08 0.00 -1.26 -5.03 105.19 100.97 2ka4 n GLY 342 Ca 0.06 0.54 0.15 0.00 0.00 0.00 0.00 46.02 46.76 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 1.55 0.00 0.00 1.61 0.13 -2.00 -1.45 132.00 131.84 2ka4 h PRO 343 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2ka4 h PRO 343 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2ka4 h PRO 343 CO -0.12 0.05 0.00 0.25 -0.23 0.00 0.00 178.00 177.95 2ka4 n THR 344 N -3.65 1.14 -2.26 1.56 -2.24 -1.26 -3.30 114.28 104.26 2ka4 n THR 344 Ca -0.02 0.30 0.03 0.00 -2.27 0.00 0.00 64.05 62.08 2ka4 n THR 344 Cb 0.16 -1.11 0.02 0.00 -2.10 0.00 0.00 70.33 67.29 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 -1.54 2.24 -1.37 6.98 0.00 -0.57 -5.11 120.51 121.14 2ka4 n ALA 345 Ca 0.03 -1.83 -0.52 0.00 0.00 0.00 0.00 53.44 51.11 2ka4 n ALA 345 Cb 0.15 -0.63 -0.11 0.00 0.00 0.00 0.00 19.45 18.86 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 0.24 1.13 -0.31 0.00 -0.08 -1.06 -4.87 116.55 111.59 2ka4 n ASP 346 Ca 0.04 0.43 0.07 0.00 -1.51 0.00 0.00 54.79 53.82 2ka4 n ASP 346 Cb 0.95 -1.04 0.22 0.00 2.34 0.00 0.00 41.12 43.59 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 11.19 0.72 -0.15 -0.67 0.11 -1.95 -0.95 132.00 140.30 2ka4 h PRO 347 Ca -0.14 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.89 2ka4 h PRO 347 Cb 1.36 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2ka4 h PRO 347 CO 1.14 0.48 -0.02 1.49 -0.21 0.00 0.00 178.00 180.87 2ka4 h GLU 348 N 0.74 0.27 -0.27 1.05 4.81 -2.00 -2.07 114.58 117.11 2ka4 h GLU 348 Ca 0.46 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 2ka4 h GLU 348 Cb 0.58 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2ka4 h GLU 348 CO -0.32 0.54 0.17 -0.22 -0.73 0.00 0.00 179.01 178.45 2ka4 h LYS 349 N -0.01 0.37 -0.72 1.92 3.64 -1.90 -2.65 116.57 117.21 2ka4 h LYS 349 Ca 0.04 -0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.54 2ka4 h LYS 349 Cb 0.43 -0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 32.06 2ka4 h LYS 349 CO 0.01 0.26 0.20 -0.09 -2.27 0.00 0.00 179.45 177.57 2ka4 h ARG 350 N 0.36 0.30 0.00 1.90 1.12 -1.12 -0.27 114.38 116.67 2ka4 h ARG 350 Ca 0.10 -0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 58.92 2ka4 h ARG 350 Cb -0.02 -0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 29.87 2ka4 h ARG 350 CO -0.02 0.20 -0.16 0.87 -3.11 0.00 0.00 179.97 177.74 2ka4 h LYS 351 N 0.31 0.00 0.04 0.20 1.57 -1.05 -2.51 116.57 115.12 2ka4 h LYS 351 Ca 0.40 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.18 2ka4 h LYS 351 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2ka4 h LYS 351 CO -0.47 0.16 -0.02 -0.07 -0.57 0.00 0.00 179.45 178.48 2ka4 h LEU 352 N 0.00 -0.05 -0.98 2.94 3.38 -0.72 -2.48 115.31 117.40 2ka4 h LEU 352 Ca -0.00 -0.64 -0.03 0.00 0.09 0.00 0.00 57.88 57.31 2ka4 h LEU 352 Cb 0.50 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 2ka4 h LEU 352 CO 0.02 0.68 0.38 0.16 0.09 0.00 0.00 178.44 179.77 2ka4 h ILE 353 N -0.84 1.24 -0.12 1.22 -2.65 -1.53 -1.83 117.51 113.00 2ka4 h ILE 353 Ca -0.01 -0.66 0.04 0.00 1.03 0.00 0.00 64.86 65.27 2ka4 h ILE 353 Cb 0.68 0.23 -0.05 0.00 -2.05 0.00 0.00 36.82 35.63 2ka4 h ILE 353 CO 0.01 0.28 -0.21 1.56 0.03 0.00 0.00 178.15 179.83 2ka4 h GLN 354 N 1.10 -0.26 -0.55 0.16 4.20 -1.53 -1.56 115.11 116.67 2ka4 h GLN 354 Ca 0.27 0.02 -0.10 0.00 0.06 0.00 0.00 58.65 58.90 2ka4 h GLN 354 Cb 0.09 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2ka4 h GLN 354 CO -0.04 -0.17 -0.04 1.96 -0.67 0.00 0.00 178.83 179.87 2ka4 h GLN 355 N -0.27 0.99 -0.47 1.46 4.20 -1.17 -2.16 115.11 117.69 2ka4 h GLN 355 Ca 0.10 -0.34 -0.04 0.00 0.06 0.00 0.00 58.65 58.43 2ka4 h GLN 355 Cb 0.41 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 2ka4 h GLN 355 CO -0.28 1.01 0.14 0.37 -0.67 0.00 0.00 178.83 179.40 2ka4 h GLN 356 N 0.87 0.74 0.08 1.46 4.15 -1.24 -1.42 115.11 119.76 2ka4 h GLN 356 Ca 0.15 -0.17 0.02 0.00 0.77 0.00 0.00 58.65 59.42 2ka4 h GLN 356 Cb 0.59 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.15 2ka4 h GLN 356 CO 0.04 0.71 -0.20 1.25 -1.93 0.00 0.00 178.83 178.70 2ka4 h LEU 357 N 0.63 -0.57 -0.86 -2.39 6.46 -1.16 -1.91 115.31 115.51 2ka4 h LEU 357 Ca 0.15 0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.95 2ka4 h LEU 357 Cb 0.29 0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.40 2ka4 h LEU 357 CO -0.00 -0.28 0.43 0.58 -0.62 0.00 0.00 178.44 178.55 2ka4 h VAL 358 N -0.37 1.26 -0.96 1.05 2.07 -1.37 -2.24 116.25 115.69 2ka4 h VAL 358 Ca 0.03 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 66.85 2ka4 h VAL 358 Cb 0.40 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 2ka4 h VAL 358 CO -0.13 0.31 0.63 -0.07 0.02 0.00 0.00 177.57 178.33 2ka4 h LEU 359 N 1.22 1.10 -0.33 2.57 3.38 -0.97 -0.62 115.31 121.66 2ka4 h LEU 359 Ca 0.30 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 2ka4 h LEU 359 Cb 0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2ka4 h LEU 359 CO -0.04 0.80 0.08 -0.07 0.09 0.00 0.00 178.44 179.30 2ka4 h LEU 360 N 1.30 0.51 -0.63 1.67 3.38 -1.06 -0.97 115.31 119.51 2ka4 h LEU 360 Ca 0.35 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 58.15 2ka4 h LEU 360 Cb -0.15 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.41 2ka4 h LEU 360 CO -0.08 0.61 0.32 -0.07 0.09 0.00 0.00 178.44 179.32 2ka4 h LEU 361 N 0.38 0.46 0.45 1.67 3.38 -1.00 -1.50 115.31 119.15 2ka4 h LEU 361 Ca 0.10 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2ka4 h LEU 361 Cb 0.30 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2ka4 h LEU 361 CO 0.00 0.29 -0.22 -0.74 0.09 0.00 0.00 178.44 177.87 2ka4 h HIS 362 N 0.60 -0.56 -0.85 1.13 2.76 -0.98 -3.25 115.15 113.99 2ka4 h HIS 362 Ca 0.29 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.58 2ka4 h HIS 362 Cb 0.22 0.18 -0.06 0.00 1.55 0.00 0.00 27.41 29.30 2ka4 h HIS 362 CO -0.10 -0.28 0.55 0.00 -1.30 0.00 0.00 177.93 176.81 2ka4 h ALA 363 N -0.27 1.89 0.80 5.26 0.00 -0.92 -0.15 119.26 125.86 2ka4 h ALA 363 Ca -0.06 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2ka4 h ALA 363 Cb 0.54 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.22 2ka4 h ALA 363 CO 0.10 -0.11 -0.38 1.25 0.00 0.00 0.00 179.25 180.11 2ka4 h HIS 364 N 0.64 -0.99 -0.91 0.00 6.17 -1.32 0.06 115.15 118.79 2ka4 h HIS 364 Ca 0.42 -0.02 0.12 0.00 0.71 0.00 0.00 60.37 61.60 2ka4 h HIS 364 Cb 0.71 0.33 -0.08 0.00 2.52 0.00 0.00 27.41 30.89 2ka4 h HIS 364 CO -0.00 -0.61 0.54 -0.22 0.71 0.00 0.00 177.93 178.34 2ka4 h LYS 365 N -1.09 0.82 -0.37 5.26 3.11 -1.51 -1.75 116.57 121.04 2ka4 h LYS 365 Ca -0.11 -0.05 -0.10 0.00 -2.81 0.00 0.00 60.65 57.58 2ka4 h LYS 365 Cb 0.82 -0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.85 2ka4 h LYS 365 CO 0.18 0.54 -0.20 0.00 -2.81 0.00 0.00 179.45 177.16 2ka4 h GLN 367 N 0.62 0.98 -0.57 0.00 -0.00 -0.30 -1.21 115.11 114.63 2ka4 h GLN 367 Ca 0.09 -0.40 0.06 0.00 -0.00 0.00 0.00 58.65 58.40 2ka4 h GLN 367 Cb 0.68 -0.04 -0.05 0.00 0.00 0.00 0.00 27.48 28.06 2ka4 h GLN 367 CO 0.05 1.08 0.29 0.00 0.00 0.00 0.00 178.83 180.24 2ka4 h ARG 368 N 0.86 0.53 -0.37 1.69 -0.00 -0.98 -2.27 114.38 113.83 2ka4 h ARG 368 Ca 0.12 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.98 59.50 2ka4 h ARG 368 Cb 0.75 -0.12 -0.02 0.00 0.00 0.00 0.00 29.97 30.59 2ka4 h ARG 368 CO 0.06 0.35 -0.04 0.00 0.00 0.00 0.00 179.97 180.34 2ka4 h ARG 369 N 0.54 0.60 -0.69 0.04 2.47 -0.72 -2.03 114.38 114.59 2ka4 h ARG 369 Ca 0.26 -0.15 -0.03 0.00 -1.26 0.00 0.00 59.98 58.80 2ka4 h ARG 369 Cb 0.19 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.40 2ka4 h ARG 369 CO -0.19 0.65 0.31 0.93 0.56 0.00 0.00 179.97 182.23 2ka4 h GLU 370 N 0.57 1.01 -0.14 0.04 5.08 -0.74 -2.69 114.58 117.70 2ka4 h GLU 370 Ca 0.11 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 2ka4 h GLU 370 Cb 0.42 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 2ka4 h GLU 370 CO 0.02 0.81 -0.32 1.96 -1.00 0.00 0.00 179.01 180.48 2ka4 h GLN 371 N 0.97 0.28 0.00 2.33 4.20 -1.16 -3.04 115.11 118.69 2ka4 h GLN 371 Ca 0.23 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2ka4 h GLN 371 Cb 0.15 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2ka4 h GLN 371 CO -0.03 0.58 0.00 0.00 -0.67 0.00 0.00 178.83 178.71 2ka4 n ALA 372 N -2.48 1.85 -2.50 3.87 0.00 -0.79 -4.85 120.51 115.61 2ka4 n ALA 372 Ca -0.01 -0.06 -0.24 0.00 0.00 0.00 0.00 53.44 53.12 2ka4 n ALA 372 Cb 0.42 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 18.47 2ka4 n ALA 372 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2ka4 s ASN 373 N -2.99 3.35 0.16 0.00 0.01 -1.14 -5.08 114.94 109.26 2ka4 s ASN 373 Ca 0.09 -1.20 -0.03 0.00 -0.71 0.00 0.00 52.86 51.02 2ka4 s ASN 373 Cb 0.12 -0.28 0.02 0.00 0.41 0.00 0.00 41.25 41.52 2ka4 s ASN 373 CO 0.34 -0.26 1.40 1.23 -1.51 0.00 0.00 177.10 178.30 2ka4 h GLY 374 N 2.12 0.47 -4.57 0.66 0.00 -1.89 -3.47 103.07 96.39 2ka4 h GLY 374 Ca -0.41 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.16 2ka4 h GLY 374 CO 0.69 0.62 0.07 1.85 0.00 0.00 0.00 176.54 179.77 2ka4 s GLU 375 N -3.57 0.87 -0.05 4.80 2.12 -1.26 -5.14 118.70 116.47 2ka4 s GLU 375 Ca -0.06 0.53 -0.04 0.00 0.36 0.00 0.00 54.97 55.76 2ka4 s GLU 375 Cb 0.10 0.41 0.02 0.00 0.26 0.00 0.00 34.13 34.92 2ka4 s GLU 375 CO 0.85 -0.20 0.13 0.08 -0.54 0.00 0.00 175.26 175.58 2ka4 s VAL 376 N -0.45 -0.01 0.00 3.70 1.01 -1.26 -5.07 120.40 118.32 2ka4 s VAL 376 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2ka4 s VAL 376 Cb -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.16 2ka4 s VAL 376 CO 0.05 0.01 0.00 -2.11 0.00 0.00 0.00 175.10 173.05 2ka4 n ARG 377 N 3.19 3.92 -3.75 2.72 0.00 -1.26 -5.11 116.66 116.36 2ka4 n ARG 377 Ca -0.14 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.63 2ka4 n ARG 377 Cb 0.58 -0.50 -0.02 0.00 -0.00 0.00 0.00 32.46 32.52 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 -0.90 -1.37 0.03 2.89 0.00 -1.26 -5.19 121.76 115.95 2ka4 s ALA 378 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.84 2ka4 s ALA 378 Cb 0.00 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 2ka4 s ALA 378 CO 0.00 -0.98 0.12 0.00 0.00 0.00 0.00 175.76 174.90 2ka4 h SER 380 N 3.78 0.00 -3.16 0.00 0.02 -2.05 -3.44 113.55 108.70 2ka4 h SER 380 Ca -0.32 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.06 2ka4 h SER 380 Cb 1.19 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.67 2ka4 h SER 380 CO 0.47 0.02 0.69 -0.76 -1.14 0.00 0.00 176.83 176.11 2ka4 s LEU 381 N -6.25 4.15 0.60 5.07 2.01 -1.26 -4.96 118.68 118.05 2ka4 s LEU 381 Ca 0.00 1.41 0.28 0.00 0.01 0.00 0.00 54.13 55.83 2ka4 s LEU 381 Cb 0.10 -3.52 1.17 0.00 0.01 0.00 0.00 46.19 43.95 2ka4 s LEU 381 CO 0.53 -0.57 1.56 -0.65 1.01 0.00 0.00 176.35 178.23 2ka4 h PRO 382 N 7.33 0.00 0.00 1.29 0.11 -2.05 -2.63 132.00 136.05 2ka4 h PRO 382 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2ka4 h PRO 382 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2ka4 h PRO 382 CO 0.93 0.00 -0.24 0.72 -0.21 0.00 0.00 178.00 179.19 2ka4 n HIS 383 N -3.41 0.00 -0.04 0.65 8.25 -1.26 -4.88 115.22 114.53 2ka4 n HIS 383 Ca 0.16 -0.34 -0.08 0.00 -0.26 0.00 0.00 57.72 57.20 2ka4 n HIS 383 Cb 1.14 -0.07 -0.02 0.00 1.12 0.00 0.00 29.99 32.16 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 -0.13 0.97 0.03 0.00 0.11 -1.90 -0.27 114.38 113.19 2ka4 h ARG 385 Ca 0.12 -0.06 -0.00 0.00 0.10 0.00 0.00 59.98 60.14 2ka4 h ARG 385 Cb 0.31 -0.22 0.00 0.00 1.11 0.00 0.00 29.97 31.18 2ka4 h ARG 385 CO -0.29 0.64 -0.02 1.15 0.10 0.00 0.00 179.97 181.55 2ka4 h THR 386 N 1.00 1.09 -0.47 0.08 2.02 -1.64 -2.27 112.91 112.72 2ka4 h THR 386 Ca 0.37 -0.40 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 2ka4 h THR 386 Cb 0.17 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 2ka4 h THR 386 CO -0.13 0.10 0.04 0.24 0.37 0.00 0.00 175.52 176.14 2ka4 h MET 387 N -0.22 0.80 -0.76 6.66 2.86 -0.92 -1.89 114.93 121.47 2ka4 h MET 387 Ca -0.00 -0.24 0.04 0.00 -2.06 0.00 0.00 59.70 57.44 2ka4 h MET 387 Cb 0.20 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.73 2ka4 h MET 387 CO 0.01 0.83 0.47 0.87 1.06 0.00 0.00 176.91 180.15 2ka4 h LYS 388 N 0.66 0.86 -0.64 1.72 1.57 -1.02 0.99 116.57 120.71 2ka4 h LYS 388 Ca 0.14 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 2ka4 h LYS 388 Cb 0.45 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2ka4 h LYS 388 CO 0.02 0.57 0.04 -0.91 -0.57 0.00 0.00 179.45 178.60 2ka4 h ASN 389 N 0.89 1.06 -0.21 0.86 2.35 -1.30 -1.24 115.58 117.99 2ka4 h ASN 389 Ca 0.32 -0.29 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 2ka4 h ASN 389 Cb 0.09 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 2ka4 h ASN 389 CO -0.14 1.09 -0.00 0.58 -1.65 0.00 0.00 177.43 177.31 2ka4 h VAL 390 N 1.01 1.26 -0.27 2.81 2.07 -0.66 -1.51 116.25 120.95 2ka4 h VAL 390 Ca 0.19 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 2ka4 h VAL 390 Cb 0.52 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 2ka4 h VAL 390 CO 0.02 0.27 0.11 -0.07 0.02 0.00 0.00 177.57 177.92 2ka4 h LEU 391 N 0.13 0.37 -0.79 2.57 3.38 -0.81 -0.20 115.31 119.95 2ka4 h LEU 391 Ca 0.06 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.90 2ka4 h LEU 391 Cb 0.40 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 2ka4 h LEU 391 CO 0.01 0.43 0.51 -1.13 0.09 0.00 0.00 178.44 178.35 2ka4 h ASN 392 N 0.28 0.85 0.37 -0.43 -1.24 -1.22 0.31 115.58 114.51 2ka4 h ASN 392 Ca 0.09 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.07 2ka4 h ASN 392 Cb 0.17 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.03 2ka4 h ASN 392 CO -0.01 0.59 -0.18 -0.74 -1.29 0.00 0.00 177.43 175.81 2ka4 h HIS 393 N 1.01 -0.47 -0.90 0.67 2.76 -0.98 -2.97 115.15 114.28 2ka4 h HIS 393 Ca 0.31 -0.01 0.15 0.00 -2.20 0.00 0.00 60.37 58.62 2ka4 h HIS 393 Cb -0.02 0.15 -0.09 0.00 1.55 0.00 0.00 27.41 29.00 2ka4 h HIS 393 CO -0.03 -0.29 0.50 0.52 -1.30 0.00 0.00 177.93 177.34 2ka4 h MET 394 N -0.50 0.70 0.00 5.26 2.86 -0.62 0.88 114.93 123.50 2ka4 h MET 394 Ca -0.05 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2ka4 h MET 394 Cb 0.39 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.89 2ka4 h MET 394 CO 0.08 0.46 0.00 2.41 1.06 0.00 0.00 176.91 180.92 2ka4 n THR 395 N -4.81 0.30 -0.25 2.22 -1.04 0.06 -2.62 114.28 108.14 2ka4 n THR 395 Ca 0.18 0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 2ka4 n THR 395 Cb 0.44 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 68.18 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 -1.19 0.00 -2.86 -1.42 8.25 -0.12 -5.07 115.22 112.82 2ka4 n HIS 396 Ca 0.11 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.31 2ka4 n HIS 396 Cb 0.12 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 -2.15 -0.08 0.00 0.00 3.00 -1.26 -4.87 117.38 112.02 2ka4 n GLN 398 Ca -0.00 -0.08 0.14 0.00 -0.01 0.00 0.00 57.00 57.05 2ka4 n GLN 398 Cb 0.56 -0.55 0.81 0.00 0.00 0.00 0.00 30.24 31.06 2ka4 n GLN 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2ka4 n ALA 399 N -0.00 2.52 -0.66 -1.58 0.00 -1.26 -5.01 120.51 114.52 2ka4 n ALA 399 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2ka4 n ALA 399 Cb 0.24 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 0.95 2.59 0.20 0.00 0.00 -1.26 -2.29 105.19 105.38 2ka4 n GLY 400 Ca 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2ka4 n GLY 400 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2ka4 n LYS 401 N 14.00 0.59 -0.02 1.61 4.81 -1.26 -3.09 118.16 134.79 2ka4 n LYS 401 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2ka4 n LYS 401 Cb 0.00 -1.12 0.01 0.00 0.02 0.00 0.00 35.03 33.94 2ka4 n LYS 401 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ka4 n ALA 402 N -0.22 1.55 -1.68 3.14 0.00 -0.97 -4.92 120.51 117.41 2ka4 n ALA 402 Ca 0.00 -0.83 -0.37 0.00 0.00 0.00 0.00 53.44 52.24 2ka4 n ALA 402 Cb 0.06 -0.03 0.06 0.00 0.00 0.00 0.00 19.45 19.54 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 0.47 0.00 -6.23 0.00 1.08 -1.94 -3.43 115.11 105.06 2ka4 h GLN 404 Ca -0.50 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.13 2ka4 h GLN 404 Cb 1.35 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.74 2ka4 h GLN 404 CO 0.52 0.03 0.94 0.08 -0.95 0.00 0.00 178.83 179.45 2ka4 s VAL 405 N -3.29 4.19 0.29 -0.54 1.01 -1.26 -4.94 120.40 115.87 2ka4 s VAL 405 Ca 0.06 1.41 0.04 0.00 0.00 0.00 0.00 61.98 63.49 2ka4 s VAL 405 Cb 0.06 -4.03 0.30 0.00 0.00 0.00 0.00 36.38 32.71 2ka4 s VAL 405 CO 0.65 -0.26 1.68 0.00 0.00 0.00 0.00 175.10 177.18 2ka4 h ALA 406 N 8.73 1.45 0.00 5.51 0.00 -2.03 -2.40 119.26 130.51 2ka4 h ALA 406 Ca -0.27 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2ka4 h ALA 406 Cb 1.10 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2ka4 h ALA 406 CO 0.99 -0.39 -1.13 0.45 0.00 0.00 0.00 179.25 179.17 2ka4 h HIS 407 N 0.36 0.00 0.00 0.00 3.86 -1.96 -3.38 115.15 114.03 2ka4 h HIS 407 Ca 0.57 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.78 2ka4 h HIS 407 Cb 1.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.59 2ka4 h HIS 407 CO -0.15 0.20 0.00 0.00 0.86 0.00 0.00 177.93 178.84 2ka4 h ALA 409 N -2.00 1.77 -0.04 0.00 0.00 -1.75 -0.97 119.26 116.27 2ka4 h ALA 409 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ka4 h ALA 409 Cb 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2ka4 h ALA 409 CO 0.00 0.09 0.01 0.77 0.00 0.00 0.00 179.25 180.12 2ka4 h SER 410 N 0.70 0.05 -0.68 0.00 0.02 -1.73 -2.80 113.55 109.10 2ka4 h SER 410 Ca 0.33 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2ka4 h SER 410 Cb 0.38 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 2ka4 h SER 410 CO -0.12 0.25 0.44 0.28 -1.14 0.00 0.00 176.83 176.55 2ka4 h SER 411 N -0.15 0.80 -0.45 3.07 0.02 -0.42 0.25 113.55 116.66 2ka4 h SER 411 Ca 0.01 -0.03 0.09 0.00 -0.84 0.00 0.00 61.79 61.01 2ka4 h SER 411 Cb 0.22 -0.20 -0.08 0.00 0.14 0.00 0.00 62.40 62.49 2ka4 h SER 411 CO -0.00 0.59 -0.01 0.03 -1.14 0.00 0.00 176.83 176.30 2ka4 h ARG 412 N 0.93 0.09 -0.23 3.45 3.08 -1.16 -1.36 114.38 119.18 2ka4 h ARG 412 Ca 0.25 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.20 2ka4 h ARG 412 Cb -0.08 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 2ka4 h ARG 412 CO -0.05 0.06 -0.22 0.37 -1.07 0.00 0.00 179.97 179.06 2ka4 h GLN 413 N 0.10 0.56 -0.58 0.04 5.75 -1.22 -3.05 115.11 116.70 2ka4 h GLN 413 Ca 0.22 -0.29 0.01 0.00 -0.15 0.00 0.00 58.65 58.44 2ka4 h GLN 413 Cb 0.33 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.86 2ka4 h GLN 413 CO -0.38 0.88 0.39 0.97 -2.65 0.00 0.00 178.83 178.03 2ka4 h ILE 414 N 0.26 1.15 -0.50 2.39 2.10 -0.51 -2.47 117.51 119.93 2ka4 h ILE 414 Ca 0.04 -0.27 -0.05 0.00 1.08 0.00 0.00 64.86 65.66 2ka4 h ILE 414 Cb 0.77 0.29 -0.02 0.00 -1.09 0.00 0.00 36.82 36.77 2ka4 h ILE 414 CO 0.06 0.14 0.12 0.40 -1.08 0.00 0.00 178.15 177.79 2ka4 h ILE 415 N 0.79 1.24 -0.05 2.19 2.04 -1.37 -2.89 117.51 119.46 2ka4 h ILE 415 Ca 0.21 -0.85 0.02 0.00 1.00 0.00 0.00 64.86 65.24 2ka4 h ILE 415 Cb -0.09 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2ka4 h ILE 415 CO -0.05 0.31 0.05 0.28 0.00 0.00 0.00 178.15 178.74 2ka4 h SER 416 N 0.68 0.00 0.15 1.72 0.02 -1.36 -2.64 113.55 112.13 2ka4 h SER 416 Ca 0.16 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2ka4 h SER 416 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2ka4 h SER 416 CO 0.00 0.00 -0.07 -0.74 -1.14 0.00 0.00 176.83 174.88 2ka4 h HIS 417 N 0.00 -0.18 -0.46 3.45 -0.00 -1.23 -3.22 115.15 113.51 2ka4 h HIS 417 Ca 0.03 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.43 2ka4 h HIS 417 Cb 0.12 0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 27.57 2ka4 h HIS 417 CO 0.00 0.18 0.31 2.35 -0.00 0.00 0.00 177.93 180.77 2ka4 h TRP 418 N -0.58 0.48 0.00 5.26 -0.00 -1.56 -0.43 115.95 119.11 2ka4 h TRP 418 Ca -0.02 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.88 2ka4 h TRP 418 Cb 0.45 -0.16 0.00 0.00 -0.00 0.00 0.00 29.16 29.45 2ka4 h TRP 418 CO 0.04 0.28 0.00 1.63 -0.00 0.00 0.00 178.44 180.39 2ka4 n LYS 419 N -4.48 0.10 0.00 2.65 5.02 -1.02 -3.98 118.16 116.45 2ka4 n LYS 419 Ca 0.05 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 2ka4 n LYS 419 Cb 0.16 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.44 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 -1.92 2.93 -4.77 4.39 3.02 -0.52 -5.09 115.26 113.30 2ka4 n ASN 420 Ca 0.01 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.18 2ka4 n ASN 420 Cb 0.12 0.29 -0.02 0.00 -0.61 0.00 0.00 39.78 39.56 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 0.12 0.00 -1.80 0.00 -2.24 -1.26 -4.95 114.28 104.14 2ka4 n THR 422 Ca 0.04 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2ka4 n THR 422 Cb 0.46 1.29 -0.03 0.00 -2.10 0.00 0.00 70.33 69.95 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 -0.05 3.80 0.00 -0.78 3.52 -1.26 -4.91 118.95 119.28 2ka4 s ARG 423 Ca 0.00 2.19 0.08 0.00 -0.13 0.00 0.00 55.73 57.87 2ka4 s ARG 423 Cb 0.00 -4.17 0.36 0.00 -1.56 0.00 0.00 34.95 29.58 2ka4 s ARG 423 CO 0.00 -1.32 1.23 -2.39 -0.81 0.00 0.00 175.30 172.01 2ka4 n HIS 424 N 8.79 0.00 -0.65 5.12 1.44 -1.26 -2.76 115.22 125.90 2ka4 n HIS 424 Ca 0.22 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.96 2ka4 n HIS 424 Cb 0.43 -0.46 0.05 0.00 0.12 0.00 0.00 29.99 30.13 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 -1.46 1.71 -4.69 4.39 5.75 -1.26 -4.85 116.55 116.14 2ka4 n ASP 425 Ca 0.02 -2.25 -0.44 0.00 -0.01 0.00 0.00 54.79 52.11 2ka4 n ASP 425 Cb 0.09 -0.16 -0.04 0.00 -1.03 0.00 0.00 41.12 39.98 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 7.52 1.00 0.01 0.00 0.13 -1.96 -1.17 132.00 137.52 2ka4 h PRO 427 Ca -0.46 -0.23 -0.07 0.00 -0.87 0.00 0.00 66.00 64.38 2ka4 h PRO 427 Cb 1.24 -0.14 0.01 0.00 0.13 0.00 0.00 31.00 32.24 2ka4 h PRO 427 CO 0.93 0.90 -0.26 0.28 -0.23 0.00 0.00 178.00 179.62 2ka4 h VAL 428 N 0.95 1.57 -0.01 1.56 2.07 -1.90 -3.33 116.25 117.16 2ka4 h VAL 428 Ca 0.20 -2.02 -0.11 0.00 0.82 0.00 0.00 66.70 65.59 2ka4 h VAL 428 Cb 0.36 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 2ka4 h VAL 428 CO 0.00 0.55 -0.50 0.00 0.02 0.00 0.00 177.57 177.65 2ka4 n LEU 430 N -3.95 -0.81 -0.06 0.00 -0.00 -0.45 -0.33 117.00 111.40 2ka4 n LEU 430 Ca -0.02 1.62 0.03 0.00 -0.00 0.00 0.00 56.01 57.64 2ka4 n LEU 430 Cb 0.52 -0.28 0.37 0.00 -0.00 0.00 0.00 43.42 44.02 2ka4 n LEU 430 CO 0.41 -1.38 1.17 1.55 -0.00 0.00 0.00 177.39 179.14 2ka4 h PRO 431 N 0.00 0.67 -0.32 1.96 0.13 -1.81 0.24 132.00 132.87 2ka4 h PRO 431 Ca 0.22 -0.05 -0.15 0.00 -0.87 0.00 0.00 66.00 65.15 2ka4 h PRO 431 Cb 0.45 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.43 2ka4 h PRO 431 CO -0.88 0.46 -0.40 -0.07 -0.23 0.00 0.00 178.00 176.88 2ka4 h LEU 432 N 0.69 0.91 -1.38 1.56 4.07 -1.03 -0.56 115.31 119.57 2ka4 h LEU 432 Ca 0.19 -0.49 -0.02 0.00 0.08 0.00 0.00 57.88 57.63 2ka4 h LEU 432 Cb -0.06 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.40 2ka4 h LEU 432 CO -0.04 1.22 0.17 0.11 -1.08 0.00 0.00 178.44 178.82 2ka4 h LYS 433 N 0.62 0.59 0.11 1.13 1.57 -0.12 -1.61 116.57 118.86 2ka4 h LYS 433 Ca 0.04 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2ka4 h LYS 433 Cb 0.99 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2ka4 h LYS 433 CO 0.09 0.49 -0.05 -0.91 -0.57 0.00 0.00 179.45 178.50 2ka4 h ASN 434 N 0.59 -0.12 -0.24 0.86 2.35 -0.84 -2.56 115.58 115.62 2ka4 h ASN 434 Ca 0.14 -0.37 0.07 0.00 -0.55 0.00 0.00 56.30 55.60 2ka4 h ASN 434 Cb 0.12 0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2ka4 h ASN 434 CO -0.01 0.33 0.43 0.00 -1.65 0.00 0.00 177.43 176.53 2ka4 h ALA 435 N 0.21 1.80 0.00 -0.83 0.00 -0.50 -1.72 119.26 118.22 2ka4 h ALA 435 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ka4 h ALA 435 Cb 0.48 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2ka4 h ALA 435 CO 0.02 -0.56 0.00 -1.13 0.00 0.00 0.00 179.25 177.59 2ka4 n SER 436 N -3.31 1.58 0.00 0.00 3.41 -0.66 -4.70 113.62 109.94 2ka4 n SER 436 Ca 0.04 -1.64 0.00 0.00 -0.26 0.00 0.00 58.87 57.01 2ka4 n SER 436 Cb 0.55 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 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 -0.32 0.02 -0.18 4.04 2.03 -0.79 -4.68 116.55 116.66 2ka4 n ASP 437 Ca 0.00 -0.45 0.07 0.00 0.52 0.00 0.00 54.79 54.93 2ka4 n ASP 437 Cb 0.18 0.86 0.36 0.00 -0.72 0.00 0.00 41.12 41.81 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 0.72 0.00 -0.67 1.63 -1.60 -3.50 116.57 113.15 2ka4 h LYS 438 Ca 0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 2ka4 h LYS 438 Cb 0.00 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.47 2ka4 h LYS 438 CO 0.00 0.48 0.00 -2.13 -3.45 0.00 0.00 179.45 174.35