#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka4 n THR 341 N 0.00 0.00 -3.60 0.00 -2.24 -1.26 -4.90 114.28 102.28 2ka4 n THR 341 Ca 0.00 -0.05 -0.03 0.00 -2.27 0.00 0.00 64.05 61.71 2ka4 n THR 341 Cb 0.00 -0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 67.90 2ka4 n THR 341 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2ka4 s GLY 342 N -2.02 -0.34 0.54 3.38 0.00 -1.26 -5.05 107.32 102.57 2ka4 s GLY 342 Ca 0.46 1.22 0.31 0.00 0.00 0.00 0.00 44.72 46.71 2ka4 s GLY 342 CO 0.37 0.37 2.07 -0.56 0.00 0.00 0.00 173.10 175.35 2ka4 h PRO 343 N 2.00 0.00 0.00 2.90 0.13 -2.08 -2.53 132.00 132.42 2ka4 h PRO 343 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2ka4 h PRO 343 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ka4 h PRO 343 CO 0.25 0.09 0.00 0.25 -0.23 0.00 0.00 178.00 178.36 2ka4 n THR 344 N -3.40 0.10 -4.19 1.56 -2.24 -1.26 -4.86 114.28 99.99 2ka4 n THR 344 Ca -0.01 0.02 -0.18 0.00 -2.27 0.00 0.00 64.05 61.62 2ka4 n THR 344 Cb 0.25 -0.58 -0.12 0.00 -2.10 0.00 0.00 70.33 67.78 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 -2.45 1.06 -0.29 6.98 0.00 -0.96 -5.04 121.76 121.06 2ka4 s ALA 345 Ca 0.29 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.35 2ka4 s ALA 345 Cb 0.18 -0.09 0.18 0.00 0.00 0.00 0.00 23.12 23.40 2ka4 s ALA 345 CO 0.39 0.14 0.55 0.34 0.00 0.00 0.00 175.76 177.18 2ka4 s ASP 346 N -1.57 -1.04 0.24 0.00 -1.08 -1.26 -1.35 116.67 110.62 2ka4 s ASP 346 Ca -0.03 0.48 -0.04 0.00 -0.52 0.00 0.00 52.55 52.44 2ka4 s ASP 346 Cb -0.09 1.88 0.45 0.00 -1.46 0.00 0.00 42.92 43.69 2ka4 s ASP 346 CO 0.02 -0.29 1.72 -0.65 0.52 0.00 0.00 175.17 176.50 2ka4 h PRO 347 N 8.04 0.41 -0.04 4.34 0.11 -1.99 -0.38 132.00 142.49 2ka4 h PRO 347 Ca -0.15 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.91 2ka4 h PRO 347 Cb 1.16 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2ka4 h PRO 347 CO 0.23 0.27 -0.07 1.49 -0.21 0.00 0.00 178.00 179.71 2ka4 h GLU 348 N 0.42 0.12 -0.81 1.05 4.81 -1.99 -2.07 114.58 116.10 2ka4 h GLU 348 Ca 0.41 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.54 2ka4 h GLU 348 Cb 0.63 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 2ka4 h GLU 348 CO -0.41 0.64 0.41 -0.22 -0.73 0.00 0.00 179.01 178.71 2ka4 h LYS 349 N -0.38 1.15 -0.53 1.92 3.11 -1.98 -2.14 116.57 117.72 2ka4 h LYS 349 Ca 0.00 -0.15 0.07 0.00 -2.81 0.00 0.00 60.65 57.75 2ka4 h LYS 349 Cb 0.63 -0.22 -0.06 0.00 -1.00 0.00 0.00 32.23 31.59 2ka4 h LYS 349 CO 0.02 0.87 0.22 -0.09 -2.81 0.00 0.00 179.45 177.66 2ka4 h ARG 350 N 1.14 0.40 -0.64 1.90 1.12 -1.08 -2.20 114.38 115.03 2ka4 h ARG 350 Ca 0.28 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 59.11 2ka4 h ARG 350 Cb 0.08 -0.09 -0.03 0.00 -0.01 0.00 0.00 29.97 29.92 2ka4 h ARG 350 CO -0.04 0.27 0.34 0.87 -3.11 0.00 0.00 179.97 178.30 2ka4 h LYS 351 N 0.42 0.90 -0.29 0.20 1.57 -0.96 -2.82 116.57 115.58 2ka4 h LYS 351 Ca 0.25 -0.11 0.05 0.00 -1.87 0.00 0.00 60.65 58.97 2ka4 h LYS 351 Cb 0.25 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 2ka4 h LYS 351 CO -0.23 0.69 0.01 -0.07 -0.57 0.00 0.00 179.45 179.28 2ka4 h LEU 352 N 0.87 -0.09 -0.62 2.94 3.38 -0.76 0.44 115.31 121.47 2ka4 h LEU 352 Ca 0.22 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.20 2ka4 h LEU 352 Cb 0.06 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2ka4 h LEU 352 CO -0.03 -0.01 0.17 0.16 0.09 0.00 0.00 178.44 178.81 2ka4 h ILE 353 N 0.10 1.25 -0.54 1.22 -2.65 -1.51 -2.45 117.51 112.94 2ka4 h ILE 353 Ca 0.14 -0.89 0.05 0.00 1.03 0.00 0.00 64.86 65.19 2ka4 h ILE 353 Cb 0.18 0.65 -0.05 0.00 -2.05 0.00 0.00 36.82 35.54 2ka4 h ILE 353 CO -0.22 0.34 0.27 1.56 0.03 0.00 0.00 178.15 180.12 2ka4 h GLN 354 N 0.90 0.50 -0.15 0.16 4.20 -1.16 -1.37 115.11 118.19 2ka4 h GLN 354 Ca 0.20 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 2ka4 h GLN 354 Cb 0.33 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 2ka4 h GLN 354 CO -0.00 0.33 0.05 1.96 -0.67 0.00 0.00 178.83 180.50 2ka4 h GLN 355 N 0.51 0.23 -0.48 1.46 4.20 -0.80 -1.32 115.11 118.91 2ka4 h GLN 355 Ca 0.24 -0.05 -0.04 0.00 0.06 0.00 0.00 58.65 58.87 2ka4 h GLN 355 Cb 0.17 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 2ka4 h GLN 355 CO -0.18 0.34 0.16 0.37 -0.67 0.00 0.00 178.83 178.85 2ka4 h GLN 356 N 0.07 0.74 0.01 1.46 4.15 -1.32 -1.44 115.11 118.79 2ka4 h GLN 356 Ca 0.05 -0.15 0.03 0.00 0.77 0.00 0.00 58.65 59.35 2ka4 h GLN 356 Cb 0.20 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.74 2ka4 h GLN 356 CO -0.00 0.69 -0.26 1.25 -1.93 0.00 0.00 178.83 178.58 2ka4 h LEU 357 N 0.64 -0.76 -0.88 -2.39 6.46 -1.12 -1.71 115.31 115.56 2ka4 h LEU 357 Ca 0.16 0.10 -0.06 0.00 -0.12 0.00 0.00 57.88 57.95 2ka4 h LEU 357 Cb 0.25 0.31 -0.03 0.00 -0.73 0.00 0.00 40.66 40.46 2ka4 h LEU 357 CO -0.01 -0.33 0.11 0.58 -0.62 0.00 0.00 178.44 178.17 2ka4 h VAL 358 N -0.41 1.25 -0.95 1.05 2.07 -1.22 -2.01 116.25 116.03 2ka4 h VAL 358 Ca 0.06 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.66 2ka4 h VAL 358 Cb 0.48 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 2ka4 h VAL 358 CO -0.22 0.35 0.63 -0.07 0.02 0.00 0.00 177.57 178.28 2ka4 h LEU 359 N 0.90 1.09 -0.30 2.57 3.38 -0.90 -0.44 115.31 121.59 2ka4 h LEU 359 Ca 0.19 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 2ka4 h LEU 359 Cb 0.37 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2ka4 h LEU 359 CO 0.01 0.78 0.05 -0.07 0.09 0.00 0.00 178.44 179.30 2ka4 h LEU 360 N 1.28 0.48 -0.79 1.67 3.38 -0.99 -1.39 115.31 118.94 2ka4 h LEU 360 Ca 0.35 -0.26 0.08 0.00 0.09 0.00 0.00 57.88 58.14 2ka4 h LEU 360 Cb -0.14 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.42 2ka4 h LEU 360 CO -0.08 0.61 0.46 -0.07 0.09 0.00 0.00 178.44 179.46 2ka4 h LEU 361 N 0.33 0.68 0.81 1.67 3.38 -0.79 0.66 115.31 122.04 2ka4 h LEU 361 Ca 0.09 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2ka4 h LEU 361 Cb 0.34 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.99 2ka4 h LEU 361 CO 0.01 0.42 -0.39 -0.74 0.09 0.00 0.00 178.44 177.82 2ka4 h HIS 362 N 0.81 -1.00 -0.67 1.13 2.76 -0.98 -3.28 115.15 113.92 2ka4 h HIS 362 Ca 0.37 -0.02 0.11 0.00 -2.20 0.00 0.00 60.37 58.62 2ka4 h HIS 362 Cb 0.27 0.33 -0.04 0.00 1.55 0.00 0.00 27.41 29.52 2ka4 h HIS 362 CO -0.06 -0.62 0.45 0.00 -1.30 0.00 0.00 177.93 176.40 2ka4 h ALA 363 N -1.23 1.97 -0.37 5.26 0.00 -1.04 -0.42 119.26 123.44 2ka4 h ALA 363 Ca -0.11 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.84 2ka4 h ALA 363 Cb 0.84 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 2ka4 h ALA 363 CO 0.18 -0.13 0.09 1.25 0.00 0.00 0.00 179.25 180.64 2ka4 h HIS 364 N 0.48 0.14 0.17 0.00 6.17 -0.92 0.91 115.15 122.11 2ka4 h HIS 364 Ca 0.31 0.02 -0.30 0.00 0.71 0.00 0.00 60.37 61.11 2ka4 h HIS 364 Cb 0.57 -0.01 0.02 0.00 2.52 0.00 0.00 27.41 30.51 2ka4 h HIS 364 CO -0.00 0.03 -1.37 0.87 0.71 0.00 0.00 177.93 178.18 2ka4 h LYS 365 N 0.21 0.37 -0.45 5.26 1.79 -1.54 -3.28 116.57 118.94 2ka4 h LYS 365 Ca 0.17 -0.63 -0.01 0.00 -2.18 0.00 0.00 60.65 58.00 2ka4 h LYS 365 Cb 0.19 0.23 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 2ka4 h LYS 365 CO -0.22 1.29 0.22 0.00 -1.08 0.00 0.00 179.45 179.66 2ka4 h GLN 367 N 0.62 1.11 -0.54 0.00 5.75 -0.91 -1.72 115.11 119.41 2ka4 h GLN 367 Ca 0.16 -0.13 -0.11 0.00 -0.15 0.00 0.00 58.65 58.42 2ka4 h GLN 367 Cb 0.06 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.37 2ka4 h GLN 367 CO -0.02 0.82 -0.09 0.00 -2.65 0.00 0.00 178.83 176.88 2ka4 h ARG 368 N 1.11 1.02 -0.52 1.69 2.47 -1.27 -0.73 114.38 118.15 2ka4 h ARG 368 Ca 0.28 -0.36 0.04 0.00 -1.26 0.00 0.00 59.98 58.68 2ka4 h ARG 368 Cb 0.04 -0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.25 2ka4 h ARG 368 CO -0.04 1.05 0.27 0.00 0.56 0.00 0.00 179.97 181.80 2ka4 h ARG 369 N 0.91 0.51 -0.09 0.04 3.08 -0.57 -1.69 114.38 116.56 2ka4 h ARG 369 Ca 0.14 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 2ka4 h ARG 369 Cb 0.65 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 2ka4 h ARG 369 CO 0.05 0.33 -0.13 0.93 -1.07 0.00 0.00 179.97 180.08 2ka4 h GLU 370 N 0.52 0.25 -0.16 0.04 5.08 -1.25 -3.26 114.58 115.80 2ka4 h GLU 370 Ca 0.23 -0.14 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 2ka4 h GLU 370 Cb 0.12 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2ka4 h GLU 370 CO -0.15 0.70 0.12 1.96 -1.00 0.00 0.00 179.01 180.64 2ka4 h GLN 371 N -0.19 0.00 0.00 2.33 4.20 -0.97 0.18 115.11 120.67 2ka4 h GLN 371 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2ka4 h GLN 371 Cb 0.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.45 2ka4 h GLN 371 CO 0.03 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.19 2ka4 n ALA 372 N -2.52 1.65 0.00 3.87 0.00 -0.65 -4.18 120.51 118.67 2ka4 n ALA 372 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2ka4 n ALA 372 Cb 0.25 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.66 0.00 0.00 0.00 5.15 -0.79 -5.05 115.26 112.91 2ka4 n ASN 373 Ca 0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.01 2ka4 n ASN 373 Cb 0.18 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 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 0.13 3.07 3.58 8.20 0.00 0.58 -5.01 105.19 115.74 2ka4 n GLY 374 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2ka4 n GLY 374 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ka4 s GLU 375 N -0.59 1.31 0.14 1.61 -1.05 -1.24 -4.91 118.70 113.97 2ka4 s GLU 375 Ca 0.00 -0.58 -0.14 0.00 -0.15 0.00 0.00 54.97 54.10 2ka4 s GLU 375 Cb 0.00 0.54 0.02 0.00 -0.44 0.00 0.00 34.13 34.24 2ka4 s GLU 375 CO 0.00 -0.58 0.37 0.54 0.95 0.00 0.00 175.26 176.53 2ka4 s VAL 376 N -3.62 0.07 -0.27 1.83 0.11 -1.26 -4.84 120.40 112.42 2ka4 s VAL 376 Ca 0.05 -0.90 0.21 0.00 -2.93 0.00 0.00 61.98 58.42 2ka4 s VAL 376 Cb -0.02 -1.43 0.50 0.00 -1.53 0.00 0.00 36.38 33.90 2ka4 s VAL 376 CO -0.06 -0.33 1.10 -2.11 -3.33 0.00 0.00 175.10 170.38 2ka4 n ARG 377 N -0.22 1.82 -1.53 1.54 0.00 -1.26 -4.89 116.66 112.12 2ka4 n ARG 377 Ca -0.13 -3.54 0.01 0.00 -0.00 0.00 0.00 57.85 54.19 2ka4 n ARG 377 Cb 0.63 -1.63 0.08 0.00 -0.00 0.00 0.00 32.46 31.54 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 -0.57 3.06 -2.15 2.89 0.00 -1.26 -5.09 120.51 117.39 2ka4 n ALA 378 Ca 0.10 -2.85 -0.10 0.00 0.00 0.00 0.00 53.44 50.59 2ka4 n ALA 378 Cb 0.81 -0.61 -0.10 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.10 0.00 -4.68 0.00 3.41 -1.26 -5.14 113.62 105.86 2ka4 n SER 380 Ca -0.06 -0.92 -0.43 0.00 -0.26 0.00 0.00 58.87 57.20 2ka4 n SER 380 Cb 0.64 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.55 2ka4 n SER 380 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2ka4 n LEU 381 N 0.00 4.04 -0.41 1.04 7.99 -1.26 -4.89 117.00 123.51 2ka4 n LEU 381 Ca 0.00 0.95 0.39 0.00 -0.01 0.00 0.00 56.01 57.34 2ka4 n LEU 381 Cb 0.29 -1.52 0.77 0.00 -0.11 0.00 0.00 43.42 42.85 2ka4 n LEU 381 CO 0.00 0.16 1.36 -0.65 -1.51 0.00 0.00 177.39 176.76 2ka4 h PRO 382 N 9.53 0.00 0.00 3.23 0.11 -2.04 -2.48 132.00 140.35 2ka4 h PRO 382 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2ka4 h PRO 382 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2ka4 h PRO 382 CO 0.94 0.00 -0.18 0.72 -0.21 0.00 0.00 178.00 179.28 2ka4 n HIS 383 N -4.09 0.00 -0.04 0.65 8.25 -1.26 -4.86 115.22 113.88 2ka4 n HIS 383 Ca 0.30 -0.64 -0.08 0.00 -0.26 0.00 0.00 57.72 57.03 2ka4 n HIS 383 Cb 1.44 -0.11 -0.02 0.00 1.12 0.00 0.00 29.99 32.42 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 -0.17 0.21 0.01 0.00 -0.00 -1.89 -0.49 114.38 112.05 2ka4 h ARG 385 Ca 0.13 -0.04 -0.00 0.00 -0.00 0.00 0.00 59.98 60.07 2ka4 h ARG 385 Cb 0.36 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 30.30 2ka4 h ARG 385 CO -0.32 0.29 -0.00 1.15 -0.00 0.00 0.00 179.97 181.09 2ka4 h THR 386 N 0.21 1.20 -0.24 0.08 2.02 -1.68 -2.47 112.91 112.03 2ka4 h THR 386 Ca 0.05 -0.62 -0.04 0.00 0.77 0.00 0.00 66.41 66.57 2ka4 h THR 386 Cb 0.24 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 2ka4 h THR 386 CO 0.01 0.16 -0.02 0.24 0.37 0.00 0.00 175.52 176.28 2ka4 h MET 387 N -0.27 0.43 -0.95 6.66 2.86 -1.03 -2.77 114.93 119.87 2ka4 h MET 387 Ca -0.00 -0.15 0.13 0.00 -2.06 0.00 0.00 59.70 57.62 2ka4 h MET 387 Cb 0.27 -0.03 -0.09 0.00 0.06 0.00 0.00 31.60 31.81 2ka4 h MET 387 CO 0.00 0.63 0.57 0.87 1.06 0.00 0.00 176.91 180.04 2ka4 h LYS 388 N 0.19 0.86 -0.20 1.72 1.57 -1.10 0.21 116.57 119.82 2ka4 h LYS 388 Ca 0.06 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2ka4 h LYS 388 Cb 0.45 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2ka4 h LYS 388 CO 0.02 0.57 0.07 -0.91 -0.57 0.00 0.00 179.45 178.62 2ka4 h ASN 389 N 0.88 0.28 -0.71 0.86 2.35 -1.41 -1.32 115.58 116.51 2ka4 h ASN 389 Ca 0.48 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 55.98 2ka4 h ASN 389 Cb 0.52 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.79 2ka4 h ASN 389 CO -0.29 0.39 0.20 0.58 -1.65 0.00 0.00 177.43 176.67 2ka4 h VAL 390 N 0.15 1.26 -0.04 2.81 2.07 -1.02 -2.13 116.25 119.35 2ka4 h VAL 390 Ca 0.06 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 2ka4 h VAL 390 Cb 0.21 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2ka4 h VAL 390 CO -0.00 0.36 -0.01 -0.07 0.02 0.00 0.00 177.57 177.87 2ka4 h LEU 391 N 1.06 0.07 -0.75 2.57 3.38 -0.59 0.13 115.31 121.17 2ka4 h LEU 391 Ca 0.23 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.89 2ka4 h LEU 391 Cb 0.33 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 2ka4 h LEU 391 CO -0.00 0.41 0.46 -1.13 0.09 0.00 0.00 178.44 178.27 2ka4 h ASN 392 N -0.27 0.74 0.37 -0.43 -0.73 -1.24 -0.98 115.58 113.05 2ka4 h ASN 392 Ca 0.01 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.17 2ka4 h ASN 392 Cb 0.37 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.82 2ka4 h ASN 392 CO 0.00 0.50 -0.19 -0.74 -0.37 0.00 0.00 177.43 176.63 2ka4 h HIS 393 N 0.88 -0.49 -0.89 0.67 2.76 -1.29 -3.02 115.15 113.77 2ka4 h HIS 393 Ca 0.32 -0.01 0.18 0.00 -2.20 0.00 0.00 60.37 58.65 2ka4 h HIS 393 Cb 0.09 0.17 -0.07 0.00 1.55 0.00 0.00 27.41 29.15 2ka4 h HIS 393 CO -0.04 -0.30 0.58 0.52 -1.30 0.00 0.00 177.93 177.38 2ka4 h MET 394 N -0.52 0.52 0.00 5.26 2.86 -0.57 0.44 114.93 122.91 2ka4 h MET 394 Ca -0.05 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2ka4 h MET 394 Cb 0.40 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2ka4 h MET 394 CO 0.07 0.34 0.00 2.41 1.06 0.00 0.00 176.91 180.80 2ka4 n THR 395 N -4.55 1.22 0.00 2.22 -1.04 -0.41 -3.24 114.28 108.49 2ka4 n THR 395 Ca 0.19 0.40 0.00 0.00 -2.04 0.00 0.00 64.05 62.59 2ka4 n THR 395 Cb 0.60 -1.30 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 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 -1.82 0.00 -2.01 -1.42 8.25 -0.50 -5.08 115.22 112.65 2ka4 n HIS 396 Ca 0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.07 2ka4 n HIS 396 Cb 0.12 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 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 0.50 -0.10 0.06 0.00 6.02 -1.26 -4.71 117.38 117.88 2ka4 n GLN 398 Ca 0.01 -0.69 0.12 0.00 -0.01 0.00 0.00 57.00 56.43 2ka4 n GLN 398 Cb 0.42 -0.98 0.46 0.00 1.02 0.00 0.00 30.24 31.16 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 -0.11 2.03 -0.85 -1.58 0.00 -1.26 -5.00 120.51 113.73 2ka4 n ALA 399 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2ka4 n ALA 399 Cb 0.07 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 0.79 2.18 1.06 0.00 0.00 -1.26 -3.10 105.19 104.86 2ka4 n GLY 400 Ca 0.05 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 9.41 0.41 0.00 1.61 4.81 -1.26 -2.54 118.16 130.60 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 -1.29 0.00 0.00 0.02 0.00 0.00 35.03 33.76 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 0.87 0.46 -1.38 3.14 0.00 -1.18 -4.96 120.51 117.46 2ka4 n ALA 402 Ca 0.00 -0.16 -0.35 0.00 0.00 0.00 0.00 53.44 52.92 2ka4 n ALA 402 Cb 0.21 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.23 0.00 -6.48 0.00 5.75 -1.96 -3.42 115.11 108.76 2ka4 h GLN 404 Ca -0.48 0.00 -0.57 0.00 -0.15 0.00 0.00 58.65 57.45 2ka4 h GLN 404 Cb 1.33 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.82 2ka4 h GLN 404 CO 0.48 0.26 0.96 0.08 -2.65 0.00 0.00 178.83 177.96 2ka4 s VAL 405 N -3.90 4.17 0.30 2.39 1.01 -1.26 -4.94 120.40 118.17 2ka4 s VAL 405 Ca -0.01 1.27 0.06 0.00 0.00 0.00 0.00 61.98 63.29 2ka4 s VAL 405 Cb 0.12 -4.33 0.30 0.00 0.00 0.00 0.00 36.38 32.46 2ka4 s VAL 405 CO 0.65 -0.68 1.75 0.00 0.00 0.00 0.00 175.10 176.81 2ka4 h ALA 406 N 9.39 1.64 0.00 5.51 0.00 -2.02 -2.02 119.26 131.77 2ka4 h ALA 406 Ca -0.25 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2ka4 h ALA 406 Cb 1.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2ka4 h ALA 406 CO 1.07 -0.16 -0.55 0.45 0.00 0.00 0.00 179.25 180.06 2ka4 h HIS 407 N 0.65 0.00 0.45 0.00 3.86 -1.95 -3.32 115.15 114.83 2ka4 h HIS 407 Ca 0.59 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.78 2ka4 h HIS 407 Cb 1.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.48 2ka4 h HIS 407 CO -0.03 0.00 -0.22 0.00 0.86 0.00 0.00 177.93 178.54 2ka4 h ALA 409 N -1.51 1.82 0.15 0.00 0.00 -1.71 -0.06 119.26 117.95 2ka4 h ALA 409 Ca -0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2ka4 h ALA 409 Cb 0.46 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2ka4 h ALA 409 CO 0.10 -0.00 -0.07 0.66 0.00 0.00 0.00 179.25 179.94 2ka4 h SER 410 N 0.68 -0.17 -0.66 0.00 4.64 -1.66 -3.22 113.55 113.16 2ka4 h SER 410 Ca 0.38 -0.35 0.13 0.00 -0.47 0.00 0.00 61.79 61.48 2ka4 h SER 410 Cb 0.55 0.04 -0.09 0.00 -0.31 0.00 0.00 62.40 62.59 2ka4 h SER 410 CO -0.15 0.31 0.19 0.28 -0.87 0.00 0.00 176.83 176.58 2ka4 h SER 411 N -0.70 0.09 -1.01 4.97 0.02 -0.71 0.11 113.55 116.32 2ka4 h SER 411 Ca -0.02 0.11 0.23 0.00 -0.84 0.00 0.00 61.79 61.27 2ka4 h SER 411 Cb 0.51 0.14 -0.11 0.00 0.14 0.00 0.00 62.40 63.07 2ka4 h SER 411 CO 0.03 0.04 0.61 -0.09 -1.14 0.00 0.00 176.83 176.28 2ka4 h ARG 412 N 0.32 0.60 0.13 3.45 9.65 -1.09 -1.31 114.38 126.12 2ka4 h ARG 412 Ca 0.36 -0.04 -0.36 0.00 -1.10 0.00 0.00 59.98 58.84 2ka4 h ARG 412 Cb 0.54 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.97 2ka4 h ARG 412 CO -0.41 0.40 -1.96 0.94 2.80 0.00 0.00 179.97 181.73 2ka4 n GLN 413 N -4.79 0.76 -0.29 0.20 -0.06 -0.66 -3.91 117.38 108.64 2ka4 n GLN 413 Ca 0.25 0.28 0.00 0.00 -2.00 0.00 0.00 57.00 55.53 2ka4 n GLN 413 Cb 0.70 -1.72 0.13 0.00 -4.06 0.00 0.00 30.24 25.30 2ka4 n GLN 413 CO 0.00 0.00 0.00 0.97 -0.20 0.00 0.00 177.06 177.83 2ka4 h ILE 414 N 0.04 1.01 0.41 1.69 2.10 -0.41 -2.47 117.51 119.87 2ka4 h ILE 414 Ca -0.42 -0.30 -0.02 0.00 1.08 0.00 0.00 64.86 65.20 2ka4 h ILE 414 Cb 2.01 0.05 0.00 0.00 -1.09 0.00 0.00 36.82 37.80 2ka4 h ILE 414 CO 0.08 0.16 -0.20 0.40 -1.08 0.00 0.00 178.15 177.52 2ka4 h ILE 415 N 0.88 0.60 -0.48 2.19 2.04 -1.45 -3.03 117.51 118.26 2ka4 h ILE 415 Ca 0.36 -0.08 0.14 0.00 1.00 0.00 0.00 64.86 66.27 2ka4 h ILE 415 Cb 0.20 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2ka4 h ILE 415 CO -0.18 0.02 0.58 0.28 0.00 0.00 0.00 178.15 178.85 2ka4 h SER 416 N -0.60 0.00 0.28 1.72 0.02 -1.56 -1.59 113.55 111.81 2ka4 h SER 416 Ca -0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 2ka4 h SER 416 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2ka4 h SER 416 CO 0.09 0.00 -0.13 -0.74 -1.14 0.00 0.00 176.83 174.91 2ka4 h HIS 417 N 0.00 -0.34 -0.38 3.45 -0.00 -1.38 -3.20 115.15 113.29 2ka4 h HIS 417 Ca 0.23 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.64 2ka4 h HIS 417 Cb 1.39 0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 28.89 2ka4 h HIS 417 CO 0.00 -0.08 0.26 2.35 -0.00 0.00 0.00 177.93 180.46 2ka4 h TRP 418 N -1.03 0.29 0.00 5.26 2.91 -1.46 0.70 115.95 122.62 2ka4 h TRP 418 Ca -0.04 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.99 2ka4 h TRP 418 Cb 0.42 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 28.98 2ka4 h TRP 418 CO 0.03 0.16 0.00 1.63 -1.03 0.00 0.00 178.44 179.23 2ka4 n LYS 419 N -4.48 0.00 0.00 2.65 4.76 -0.66 -4.08 118.16 116.36 2ka4 n LYS 419 Ca 0.05 0.28 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 2ka4 n LYS 419 Cb 0.24 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 2ka4 n LYS 419 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2ka4 n ASN 420 N -1.50 1.91 -4.60 4.39 0.23 -0.26 -5.05 115.26 110.39 2ka4 n ASN 420 Ca 0.03 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.79 2ka4 n ASN 420 Cb 0.15 0.23 0.21 0.00 -2.08 0.00 0.00 39.78 38.28 2ka4 n ASN 420 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ka4 n THR 422 N -4.49 0.00 -1.59 0.00 5.66 -1.26 -5.00 114.28 107.59 2ka4 n THR 422 Ca 0.05 0.00 -0.57 0.00 -3.05 0.00 0.00 64.05 60.48 2ka4 n THR 422 Cb 0.55 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.26 2ka4 n THR 422 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2ka4 n ARG 423 N -0.20 0.95 0.00 1.09 0.63 -1.26 -4.87 116.66 113.00 2ka4 n ARG 423 Ca 0.00 0.32 0.04 0.00 -0.92 0.00 0.00 57.85 57.30 2ka4 n ARG 423 Cb 0.00 -2.10 0.21 0.00 0.45 0.00 0.00 32.46 31.02 2ka4 n ARG 423 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 2ka4 n HIS 424 N 6.74 0.00 -0.87 -0.14 1.44 -1.26 -2.67 115.22 118.46 2ka4 n HIS 424 Ca 0.34 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 56.08 2ka4 n HIS 424 Cb 0.13 -0.40 0.05 0.00 0.12 0.00 0.00 29.99 29.89 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 -1.40 1.48 -4.67 4.39 5.75 -1.26 -4.88 116.55 115.95 2ka4 n ASP 425 Ca 0.03 -2.23 -0.47 0.00 -0.01 0.00 0.00 54.79 52.11 2ka4 n ASP 425 Cb 0.09 -0.19 -0.04 0.00 -1.03 0.00 0.00 41.12 39.95 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 7.33 1.04 0.05 0.00 0.13 -1.97 -1.48 132.00 137.10 2ka4 h PRO 427 Ca -0.46 -0.13 -0.00 0.00 -0.87 0.00 0.00 66.00 64.54 2ka4 h PRO 427 Cb 1.26 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2ka4 h PRO 427 CO 0.91 0.78 -0.02 0.28 -0.23 0.00 0.00 178.00 179.72 2ka4 h VAL 428 N 1.02 1.27 0.00 1.56 2.07 -1.90 -3.35 116.25 116.92 2ka4 h VAL 428 Ca 0.26 -1.63 -0.09 0.00 0.82 0.00 0.00 66.70 66.06 2ka4 h VAL 428 Cb 0.05 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 2ka4 h VAL 428 CO -0.04 0.38 -0.44 0.00 0.02 0.00 0.00 177.57 177.49 2ka4 h LEU 430 N 0.00 -1.34 -1.50 0.00 5.85 -1.41 0.19 115.31 117.10 2ka4 h LEU 430 Ca -0.00 0.29 0.06 0.00 0.84 0.00 0.00 57.88 59.06 2ka4 h LEU 430 Cb 0.83 0.70 -0.04 0.00 0.37 0.00 0.00 40.66 42.53 2ka4 h LEU 430 CO 0.06 -0.29 0.41 1.55 -0.34 0.00 0.00 178.44 179.82 2ka4 h PRO 431 N -0.04 0.60 -0.14 5.25 0.13 -1.83 0.15 132.00 136.12 2ka4 h PRO 431 Ca 0.32 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 65.28 2ka4 h PRO 431 Cb 0.59 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.59 2ka4 h PRO 431 CO -0.91 0.40 -0.43 -0.07 -0.23 0.00 0.00 178.00 176.76 2ka4 h LEU 432 N 0.62 0.62 -2.44 1.56 4.07 -1.05 0.70 115.31 119.39 2ka4 h LEU 432 Ca 0.27 -0.60 0.00 0.00 0.08 0.00 0.00 57.88 57.63 2ka4 h LEU 432 Cb 0.26 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.82 2ka4 h LEU 432 CO -0.08 1.11 0.00 0.11 -1.08 0.00 0.00 178.44 178.50 2ka4 h LYS 433 N 0.16 0.00 0.06 1.13 1.57 -0.24 -1.71 116.57 117.54 2ka4 h LYS 433 Ca -0.01 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.47 2ka4 h LYS 433 Cb 1.05 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.34 2ka4 h LYS 433 CO 0.09 0.00 -1.62 -1.71 -0.57 0.00 0.00 179.45 175.64 2ka4 n ASN 434 N -2.89 1.99 -0.14 0.86 2.85 -0.01 -4.43 115.26 113.50 2ka4 n ASN 434 Ca -0.02 0.32 0.18 0.00 -0.11 0.00 0.00 54.58 54.96 2ka4 n ASN 434 Cb 0.09 -0.92 0.57 0.00 1.24 0.00 0.00 39.78 40.76 2ka4 n ASN 434 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ka4 h ALA 435 N -0.23 2.30 -2.95 5.20 0.00 0.01 -3.42 119.26 120.16 2ka4 h ALA 435 Ca -0.39 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.26 2ka4 h ALA 435 Cb 1.65 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 19.23 2ka4 h ALA 435 CO -0.07 -0.50 -0.72 -1.54 0.00 0.00 0.00 179.25 176.41 2ka4 s SER 436 N -5.94 0.85 0.20 0.00 1.04 -0.79 -5.08 113.70 103.98 2ka4 s SER 436 Ca -0.07 -0.65 -0.08 0.00 0.48 0.00 0.00 55.95 55.64 2ka4 s SER 436 Cb 0.21 0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 2ka4 s SER 436 CO 0.76 -0.27 0.30 -0.62 0.98 0.00 0.00 173.24 174.39 2ka4 s ASP 437 N -1.89 0.03 0.00 7.02 -1.08 -1.26 -4.63 116.67 114.87 2ka4 s ASP 437 Ca -0.06 -1.04 0.00 0.00 -0.52 0.00 0.00 52.55 50.93 2ka4 s ASP 437 Cb -0.07 0.47 0.00 0.00 -1.46 0.00 0.00 42.92 41.86 2ka4 s ASP 437 CO -0.01 -0.96 0.11 1.17 0.52 0.00 0.00 175.17 175.99 2ka4 n LYS 438 N -0.28 1.66 0.00 4.34 3.00 -1.26 -5.21 118.16 120.41 2ka4 n LYS 438 Ca -0.03 -0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.18 2ka4 n LYS 438 Cb 0.63 -0.46 0.00 0.00 0.00 0.00 0.00 35.03 35.20 2ka4 n LYS 438 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27