#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 -2.00 -3.48 112.91 108.78 2ka4 h THR 341 Ca 0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2ka4 h THR 341 Cb 0.00 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 2ka4 h THR 341 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2ka4 n GLY 342 N 0.29 -1.48 0.28 5.82 0.00 -1.26 -5.01 105.19 103.82 2ka4 n GLY 342 Ca 0.02 -1.04 0.13 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 0.00 0.00 1.61 0.13 -1.99 -1.68 132.00 130.07 2ka4 h PRO 343 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2ka4 h PRO 343 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2ka4 h PRO 343 CO 0.00 0.06 0.00 0.25 -0.23 0.00 0.00 178.00 178.08 2ka4 n THR 344 N -3.78 0.81 -2.33 1.56 -2.24 -1.26 -2.96 114.28 104.08 2ka4 n THR 344 Ca -0.02 0.20 0.02 0.00 -2.27 0.00 0.00 64.05 61.98 2ka4 n THR 344 Cb 0.16 -1.00 0.01 0.00 -2.10 0.00 0.00 70.33 67.40 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 -1.34 2.39 -1.51 6.98 0.00 -0.66 -5.07 120.51 121.30 2ka4 n ALA 345 Ca 0.05 -1.83 -0.47 0.00 0.00 0.00 0.00 53.44 51.19 2ka4 n ALA 345 Cb 0.11 -0.63 -0.05 0.00 0.00 0.00 0.00 19.45 18.88 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 0.33 2.62 -0.03 0.00 -0.08 -1.05 -1.67 116.55 116.67 2ka4 n ASP 346 Ca 0.01 0.32 0.18 0.00 -1.51 0.00 0.00 54.79 53.79 2ka4 n ASP 346 Cb 0.99 -1.39 0.63 0.00 2.34 0.00 0.00 41.12 43.69 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 13.55 0.12 0.18 -0.67 0.11 -1.94 -1.25 132.00 142.09 2ka4 h PRO 347 Ca -0.33 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.52 2ka4 h PRO 347 Cb 1.29 -0.03 0.02 0.00 0.11 0.00 0.00 31.00 32.39 2ka4 h PRO 347 CO 0.99 0.08 -1.16 1.49 -0.21 0.00 0.00 178.00 179.19 2ka4 h GLU 348 N 0.13 0.37 -0.50 1.05 4.57 -2.01 -3.22 114.58 114.98 2ka4 h GLU 348 Ca 0.26 -0.64 0.02 0.00 -1.18 0.00 0.00 59.36 57.82 2ka4 h GLU 348 Cb 0.88 0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 29.68 2ka4 h GLU 348 CO -0.03 1.31 0.31 -0.22 -1.18 0.00 0.00 179.01 179.19 2ka4 h LYS 349 N -0.17 0.61 -0.81 1.92 3.64 -1.89 -2.61 116.57 117.26 2ka4 h LYS 349 Ca -0.21 -0.04 0.19 0.00 -1.27 0.00 0.00 60.65 59.32 2ka4 h LYS 349 Cb 1.85 -0.14 -0.12 0.00 -0.41 0.00 0.00 32.23 33.42 2ka4 h LYS 349 CO 0.18 0.40 0.25 -0.09 -2.27 0.00 0.00 179.45 177.92 2ka4 h ARG 350 N 0.63 0.30 -0.37 1.90 1.12 -1.33 -1.13 114.38 115.49 2ka4 h ARG 350 Ca 0.19 -0.02 -0.05 0.00 -1.11 0.00 0.00 59.98 58.99 2ka4 h ARG 350 Cb -0.02 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 29.86 2ka4 h ARG 350 CO -0.07 0.20 0.02 0.87 -3.11 0.00 0.00 179.97 177.88 2ka4 h LYS 351 N 0.31 0.64 -0.67 0.20 1.57 -1.48 -2.80 116.57 114.35 2ka4 h LYS 351 Ca 0.47 -0.19 0.07 0.00 -1.87 0.00 0.00 60.65 59.13 2ka4 h LYS 351 Cb 0.85 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 33.04 2ka4 h LYS 351 CO -0.53 0.73 0.36 -0.07 -0.57 0.00 0.00 179.45 179.37 2ka4 h LEU 352 N 0.46 0.52 -0.36 2.94 3.38 -0.94 0.14 115.31 121.45 2ka4 h LEU 352 Ca 0.11 0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 2ka4 h LEU 352 Cb 0.43 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 2ka4 h LEU 352 CO 0.01 0.32 -0.43 0.16 0.09 0.00 0.00 178.44 178.59 2ka4 h ILE 353 N 0.65 1.27 -0.11 1.22 -2.65 -1.53 -2.78 117.51 113.57 2ka4 h ILE 353 Ca 0.31 -1.61 0.03 0.00 1.03 0.00 0.00 64.86 64.61 2ka4 h ILE 353 Cb 0.23 1.45 -0.03 0.00 -2.05 0.00 0.00 36.82 36.43 2ka4 h ILE 353 CO -0.20 0.54 -0.05 1.56 0.03 0.00 0.00 178.15 180.02 2ka4 h GLN 354 N 0.74 -0.03 -0.31 0.16 4.20 -1.07 -1.68 115.11 117.11 2ka4 h GLN 354 Ca 0.05 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.77 2ka4 h GLN 354 Cb 1.04 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 2ka4 h GLN 354 CO 0.10 -0.02 0.20 1.96 -0.67 0.00 0.00 178.83 180.40 2ka4 h GLN 355 N -0.03 0.39 -0.41 1.46 4.20 -0.80 -1.70 115.11 118.22 2ka4 h GLN 355 Ca 0.06 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 2ka4 h GLN 355 Cb 0.13 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 2ka4 h GLN 355 CO -0.14 0.26 0.10 0.37 -0.67 0.00 0.00 178.83 178.75 2ka4 h GLN 356 N 0.40 0.66 -0.11 1.46 4.15 -1.41 -1.41 115.11 118.84 2ka4 h GLN 356 Ca 0.12 -0.16 0.04 0.00 0.77 0.00 0.00 58.65 59.42 2ka4 h GLN 356 Cb -0.03 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.53 2ka4 h GLN 356 CO -0.04 0.68 -0.21 1.25 -1.93 0.00 0.00 178.83 178.58 2ka4 h LEU 357 N 0.52 -0.64 -0.64 -2.39 6.46 -1.06 -1.37 115.31 116.18 2ka4 h LEU 357 Ca 0.13 0.11 -0.05 0.00 -0.12 0.00 0.00 57.88 57.94 2ka4 h LEU 357 Cb 0.32 0.29 -0.03 0.00 -0.73 0.00 0.00 40.66 40.51 2ka4 h LEU 357 CO 0.00 -0.26 0.20 0.58 -0.62 0.00 0.00 178.44 178.34 2ka4 h VAL 358 N -0.28 1.25 -0.98 1.05 2.07 -1.29 -2.05 116.25 116.02 2ka4 h VAL 358 Ca 0.09 -0.85 0.05 0.00 0.82 0.00 0.00 66.70 66.82 2ka4 h VAL 358 Cb 0.41 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 2ka4 h VAL 358 CO -0.27 0.33 0.63 -0.07 0.02 0.00 0.00 177.57 178.21 2ka4 h LEU 359 N 0.93 1.03 -0.27 2.57 3.38 -0.85 -0.86 115.31 121.23 2ka4 h LEU 359 Ca 0.21 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 2ka4 h LEU 359 Cb 0.29 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2ka4 h LEU 359 CO -0.01 0.68 -0.00 -0.07 0.09 0.00 0.00 178.44 179.13 2ka4 h LEU 360 N 1.18 0.46 -0.84 1.67 3.38 -1.01 -1.21 115.31 118.94 2ka4 h LEU 360 Ca 0.41 -0.31 0.07 0.00 0.09 0.00 0.00 57.88 58.14 2ka4 h LEU 360 Cb 0.10 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 2ka4 h LEU 360 CO -0.15 0.66 0.51 -0.07 0.09 0.00 0.00 178.44 179.48 2ka4 h LEU 361 N 0.25 0.78 0.79 1.67 3.38 -0.91 -1.74 115.31 119.53 2ka4 h LEU 361 Ca 0.08 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2ka4 h LEU 361 Cb 0.42 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.05 2ka4 h LEU 361 CO 0.01 0.49 -0.38 -0.74 0.09 0.00 0.00 178.44 177.91 2ka4 h HIS 362 N 0.91 -0.98 -0.98 1.13 2.76 -1.09 -3.36 115.15 113.54 2ka4 h HIS 362 Ca 0.38 -0.02 0.13 0.00 -2.20 0.00 0.00 60.37 58.66 2ka4 h HIS 362 Cb 0.23 0.33 -0.09 0.00 1.55 0.00 0.00 27.41 29.43 2ka4 h HIS 362 CO -0.04 -0.61 0.60 0.00 -1.30 0.00 0.00 177.93 176.59 2ka4 h ALA 363 N -1.22 1.50 -0.07 5.26 0.00 -0.92 -0.76 119.26 123.04 2ka4 h ALA 363 Ca -0.11 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2ka4 h ALA 363 Cb 0.82 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2ka4 h ALA 363 CO 0.18 0.15 0.02 1.25 0.00 0.00 0.00 179.25 180.85 2ka4 h HIS 364 N 0.92 0.12 0.00 0.00 6.17 -1.46 0.97 115.15 121.86 2ka4 h HIS 364 Ca 0.50 -0.01 -0.09 0.00 0.71 0.00 0.00 60.37 61.48 2ka4 h HIS 364 Cb 0.56 -0.03 -0.01 0.00 2.52 0.00 0.00 27.41 30.44 2ka4 h HIS 364 CO -0.01 0.28 -0.43 1.57 0.71 0.00 0.00 177.93 180.05 2ka4 h LYS 365 N -0.08 0.00 -0.09 5.26 5.09 -1.69 -2.79 116.57 122.27 2ka4 h LYS 365 Ca 0.02 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.65 2ka4 h LYS 365 Cb 0.22 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.54 2ka4 h LYS 365 CO -0.00 0.43 -0.44 0.00 -2.09 0.00 0.00 179.45 177.35 2ka4 h GLN 367 N 0.16 0.74 -0.43 0.00 -0.00 -0.54 0.36 115.11 115.41 2ka4 h GLN 367 Ca 0.01 -0.09 0.01 0.00 -0.00 0.00 0.00 58.65 58.58 2ka4 h GLN 367 Cb 0.85 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 28.16 2ka4 h GLN 367 CO 0.07 0.58 0.27 0.00 0.00 0.00 0.00 178.83 179.75 2ka4 h ARG 368 N 0.71 0.54 0.01 1.69 2.47 -1.38 0.23 114.38 118.66 2ka4 h ARG 368 Ca 0.19 -0.03 0.02 0.00 -1.26 0.00 0.00 59.98 58.89 2ka4 h ARG 368 Cb 0.05 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.22 2ka4 h ARG 368 CO -0.03 0.36 -0.13 -0.09 0.56 0.00 0.00 179.97 180.63 2ka4 h ARG 369 N 0.56 -0.22 -0.49 0.04 1.12 -0.99 -0.40 114.38 114.00 2ka4 h ARG 369 Ca 0.16 0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 59.04 2ka4 h ARG 369 Cb -0.04 0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 29.94 2ka4 h ARG 369 CO -0.05 -0.15 0.29 1.49 -3.11 0.00 0.00 179.97 178.44 2ka4 h GLU 370 N -0.23 0.67 -0.35 0.20 4.81 -0.74 -2.38 114.58 116.56 2ka4 h GLU 370 Ca 0.04 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2ka4 h GLU 370 Cb 0.28 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2ka4 h GLU 370 CO -0.12 0.50 0.09 0.37 -0.73 0.00 0.00 179.01 179.12 2ka4 h GLN 371 N 0.65 0.55 -0.32 1.92 5.75 -0.84 -3.12 115.11 119.69 2ka4 h GLN 371 Ca 0.17 -0.13 -0.06 0.00 -0.15 0.00 0.00 58.65 58.49 2ka4 h GLN 371 Cb 0.01 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.47 2ka4 h GLN 371 CO -0.03 0.59 -0.05 0.00 -2.65 0.00 0.00 178.83 176.70 2ka4 h ALA 372 N 0.93 1.32 -0.11 3.38 0.00 -0.95 -2.90 119.26 120.93 2ka4 h ALA 372 Ca 0.11 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2ka4 h ALA 372 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2ka4 h ALA 372 CO -0.00 0.46 -0.44 -0.91 0.00 0.00 0.00 179.25 178.36 2ka4 h ASN 373 N 0.49 0.28 -0.46 0.00 2.35 -1.41 -3.47 115.58 113.36 2ka4 h ASN 373 Ca 0.10 -0.12 -0.19 0.00 -0.55 0.00 0.00 56.30 55.53 2ka4 h ASN 373 Cb 0.39 -0.08 -0.08 0.00 0.05 0.00 0.00 38.32 38.61 2ka4 h ASN 373 CO 0.02 0.69 -0.17 0.61 -1.65 0.00 0.00 177.43 176.92 2ka4 n GLY 374 N -0.10 0.89 0.51 2.83 0.00 -1.10 -4.76 105.19 103.47 2ka4 n GLY 374 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2ka4 n GLY 374 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ka4 n GLU 375 N -0.53 0.00 -3.75 1.61 2.13 -1.26 -5.10 120.64 113.74 2ka4 n GLU 375 Ca -0.09 -0.94 -0.13 0.00 0.66 0.00 0.00 57.16 56.66 2ka4 n GLU 375 Cb 0.58 -0.46 -0.08 0.00 0.27 0.00 0.00 31.44 31.75 2ka4 n GLU 375 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2ka4 s VAL 376 N 0.00 0.06 -0.03 6.31 0.11 -1.26 -5.07 120.40 120.52 2ka4 s VAL 376 Ca 0.00 -0.48 0.10 0.00 -2.93 0.00 0.00 61.98 58.68 2ka4 s VAL 376 Cb 0.00 -0.68 0.19 0.00 -1.53 0.00 0.00 36.38 34.36 2ka4 s VAL 376 CO -0.00 -0.26 1.08 -2.11 -3.33 0.00 0.00 175.10 170.48 2ka4 n ARG 377 N 1.16 0.25 -4.07 1.54 -4.01 -1.26 -4.77 116.66 105.48 2ka4 n ARG 377 Ca -0.21 -1.62 -0.13 0.00 -1.04 0.00 0.00 57.85 54.85 2ka4 n ARG 377 Cb 0.56 -0.54 -0.05 0.00 -3.04 0.00 0.00 32.46 29.40 2ka4 n ARG 377 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2ka4 s ALA 378 N -0.53 0.56 0.00 2.89 0.00 -1.26 -5.02 121.76 118.40 2ka4 s ALA 378 Ca 0.16 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.73 2ka4 s ALA 378 Cb 0.17 1.15 0.00 0.00 0.00 0.00 0.00 23.12 24.43 2ka4 s ALA 378 CO -0.05 -0.79 0.00 0.00 0.00 0.00 0.00 175.76 174.92 2ka4 n SER 380 N -2.10 1.20 -4.70 0.00 7.64 -1.26 -4.97 113.62 109.42 2ka4 n SER 380 Ca 0.00 -0.25 -0.42 0.00 1.01 0.00 0.00 58.87 59.21 2ka4 n SER 380 Cb 0.00 1.51 -0.03 0.00 -1.01 0.00 0.00 64.21 64.68 2ka4 n SER 380 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2ka4 s LEU 381 N -3.69 4.35 0.56 -3.43 1.98 -1.26 -4.92 118.68 112.27 2ka4 s LEU 381 Ca -0.02 2.26 0.35 0.00 -2.89 0.00 0.00 54.13 53.83 2ka4 s LEU 381 Cb 0.10 -3.57 1.47 0.00 0.66 0.00 0.00 46.19 44.85 2ka4 s LEU 381 CO 0.65 -0.70 1.73 -0.65 -1.89 0.00 0.00 176.35 175.48 2ka4 h PRO 382 N 7.35 0.00 0.00 0.98 0.11 -2.04 -2.49 132.00 135.91 2ka4 h PRO 382 Ca -0.41 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 2ka4 h PRO 382 Cb 1.20 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.23 2ka4 h PRO 382 CO 0.89 0.00 -0.46 0.72 -0.21 0.00 0.00 178.00 178.94 2ka4 n HIS 383 N -3.92 0.00 -0.12 0.65 8.25 -1.26 -4.89 115.22 113.93 2ka4 n HIS 383 Ca 0.24 -0.59 -0.05 0.00 -0.26 0.00 0.00 57.72 57.06 2ka4 n HIS 383 Cb 1.25 -0.13 0.02 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 0.06 0.65 0.08 0.00 -0.00 -1.90 -0.11 114.38 113.16 2ka4 h ARG 385 Ca 0.19 -0.04 -0.00 0.00 -0.00 0.00 0.00 59.98 60.12 2ka4 h ARG 385 Cb 0.28 -0.14 0.00 0.00 -0.00 0.00 0.00 29.97 30.11 2ka4 h ARG 385 CO -0.36 0.44 -0.04 1.15 -0.00 0.00 0.00 179.97 181.17 2ka4 h THR 386 N 0.67 1.08 -0.45 0.08 2.02 -1.68 -1.99 112.91 112.64 2ka4 h THR 386 Ca 0.18 -0.55 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 2ka4 h THR 386 Cb -0.05 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 2ka4 h THR 386 CO -0.04 0.14 0.13 0.24 0.37 0.00 0.00 175.52 176.36 2ka4 h MET 387 N -0.35 0.70 -0.74 6.66 2.86 -1.11 -1.90 114.93 121.05 2ka4 h MET 387 Ca -0.01 -0.15 0.05 0.00 -2.06 0.00 0.00 59.70 57.53 2ka4 h MET 387 Cb 0.30 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 2ka4 h MET 387 CO 0.02 0.68 0.44 0.87 1.06 0.00 0.00 176.91 179.98 2ka4 h LYS 388 N 0.59 0.79 -0.48 1.72 1.57 -1.00 0.74 116.57 120.51 2ka4 h LYS 388 Ca 0.14 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 2ka4 h LYS 388 Cb 0.28 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2ka4 h LYS 388 CO -0.00 0.53 0.02 -0.91 -0.57 0.00 0.00 179.45 178.51 2ka4 h ASN 389 N 0.82 0.82 -0.26 0.86 2.35 -1.23 -0.92 115.58 118.01 2ka4 h ASN 389 Ca 0.32 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2ka4 h ASN 389 Cb 0.15 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 2ka4 h ASN 389 CO -0.16 0.91 0.08 0.58 -1.65 0.00 0.00 177.43 177.19 2ka4 h VAL 390 N 0.70 1.20 -0.34 2.81 2.07 -0.78 -1.70 116.25 120.20 2ka4 h VAL 390 Ca 0.14 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 2ka4 h VAL 390 Cb 0.48 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2ka4 h VAL 390 CO 0.02 0.20 0.06 -0.07 0.02 0.00 0.00 177.57 177.81 2ka4 h LEU 391 N 0.26 0.53 -0.75 2.57 3.38 -0.87 -0.27 115.31 120.17 2ka4 h LEU 391 Ca 0.09 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 57.86 2ka4 h LEU 391 Cb 0.24 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.79 2ka4 h LEU 391 CO -0.00 0.65 0.44 -1.13 0.09 0.00 0.00 178.44 178.49 2ka4 h ASN 392 N 0.39 0.68 0.46 -0.43 -1.24 -1.12 0.05 115.58 114.37 2ka4 h ASN 392 Ca 0.10 0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.11 2ka4 h ASN 392 Cb 0.34 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.28 2ka4 h ASN 392 CO 0.01 0.44 -0.22 -0.74 -1.29 0.00 0.00 177.43 175.63 2ka4 h HIS 393 N 0.82 -0.57 -0.98 0.67 2.76 -1.06 -3.13 115.15 113.66 2ka4 h HIS 393 Ca 0.33 -0.01 0.18 0.00 -2.20 0.00 0.00 60.37 58.66 2ka4 h HIS 393 Cb 0.17 0.19 -0.09 0.00 1.55 0.00 0.00 27.41 29.23 2ka4 h HIS 393 CO -0.06 -0.32 0.61 0.52 -1.30 0.00 0.00 177.93 177.38 2ka4 h MET 394 N -0.68 0.71 0.00 5.26 2.86 -0.61 0.64 114.93 123.12 2ka4 h MET 394 Ca -0.06 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2ka4 h MET 394 Cb 0.50 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2ka4 h MET 394 CO 0.10 0.47 0.00 2.41 1.06 0.00 0.00 176.91 180.96 2ka4 n THR 395 N -4.67 1.34 0.00 2.22 -1.04 -0.03 -2.96 114.28 109.13 2ka4 n THR 395 Ca 0.21 0.37 0.00 0.00 -2.04 0.00 0.00 64.05 62.59 2ka4 n THR 395 Cb 0.55 -1.24 0.00 0.00 -1.82 0.00 0.00 70.33 67.82 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 -1.62 0.00 -2.27 -1.42 8.25 -0.53 -5.06 115.22 112.57 2ka4 n HIS 396 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 2ka4 n HIS 396 Cb 0.11 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 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 3.43 1.60 0.00 0.00 1.13 -1.26 -4.51 117.38 117.77 2ka4 n GLN 398 Ca 0.09 -1.29 0.12 0.00 -1.94 0.00 0.00 57.00 53.98 2ka4 n GLN 398 Cb 0.44 -1.35 0.60 0.00 0.11 0.00 0.00 30.24 30.03 2ka4 n GLN 398 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ka4 n ALA 399 N 0.55 2.23 -0.76 -1.58 0.00 -1.26 -5.01 120.51 114.68 2ka4 n ALA 399 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2ka4 n ALA 399 Cb 0.43 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 0.99 2.43 0.35 0.00 0.00 -1.26 -2.51 105.19 105.19 2ka4 n GLY 400 Ca 0.09 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 12.58 0.42 0.00 1.61 5.02 -1.26 -2.82 118.16 133.71 2ka4 n LYS 401 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2ka4 n LYS 401 Cb 0.00 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 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 0.05 1.40 -1.24 7.82 0.00 -1.04 -4.90 120.51 122.60 2ka4 n ALA 402 Ca 0.00 -0.68 -0.35 0.00 0.00 0.00 0.00 53.44 52.41 2ka4 n ALA 402 Cb 0.07 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.57 0.00 -6.20 0.00 1.08 -1.95 -3.44 115.11 104.03 2ka4 h GLN 404 Ca -0.47 0.00 -0.57 0.00 -1.45 0.00 0.00 58.65 56.16 2ka4 h GLN 404 Cb 1.31 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.70 2ka4 h GLN 404 CO 0.46 0.03 0.93 0.08 -0.95 0.00 0.00 178.83 179.38 2ka4 s VAL 405 N -3.25 4.22 0.22 -0.54 1.01 -1.26 -4.95 120.40 115.85 2ka4 s VAL 405 Ca 0.06 1.46 -0.09 0.00 0.00 0.00 0.00 61.98 63.41 2ka4 s VAL 405 Cb 0.06 -4.02 0.18 0.00 0.00 0.00 0.00 36.38 32.60 2ka4 s VAL 405 CO 0.66 -0.22 1.69 0.00 0.00 0.00 0.00 175.10 177.24 2ka4 h ALA 406 N 8.54 0.72 0.00 5.51 0.00 -2.03 -2.68 119.26 129.32 2ka4 h ALA 406 Ca -0.27 0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 2ka4 h ALA 406 Cb 1.10 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2ka4 h ALA 406 CO 0.98 -0.34 -0.81 0.45 0.00 0.00 0.00 179.25 179.53 2ka4 h HIS 407 N 0.22 0.00 0.00 0.00 3.86 -1.97 -3.35 115.15 113.91 2ka4 h HIS 407 Ca 0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 2ka4 h HIS 407 Cb 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 2ka4 h HIS 407 CO -0.28 0.79 0.00 0.00 0.86 0.00 0.00 177.93 179.30 2ka4 h ALA 409 N -1.80 1.60 0.02 0.00 0.00 -1.75 -0.94 119.26 116.38 2ka4 h ALA 409 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2ka4 h ALA 409 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2ka4 h ALA 409 CO 0.00 0.32 -0.01 0.77 0.00 0.00 0.00 179.25 180.33 2ka4 h SER 410 N 0.87 -0.02 -0.47 0.00 0.02 -1.69 -2.60 113.55 109.66 2ka4 h SER 410 Ca 0.30 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.16 2ka4 h SER 410 Cb 0.10 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 2ka4 h SER 410 CO -0.09 0.09 0.30 0.28 -1.14 0.00 0.00 176.83 176.27 2ka4 h SER 411 N -0.13 0.51 -0.48 3.07 0.02 -0.47 0.50 113.55 116.57 2ka4 h SER 411 Ca -0.00 -0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.02 2ka4 h SER 411 Cb 0.12 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 2ka4 h SER 411 CO 0.00 0.37 0.33 -0.09 -1.14 0.00 0.00 176.83 176.30 2ka4 h ARG 412 N 0.61 0.29 0.06 3.45 2.43 -1.12 -1.98 114.38 118.13 2ka4 h ARG 412 Ca 0.18 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.19 2ka4 h ARG 412 Cb -0.04 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 2ka4 h ARG 412 CO -0.05 0.19 -0.68 0.37 -1.51 0.00 0.00 179.97 178.28 2ka4 h GLN 413 N 0.30 0.14 -0.69 0.20 5.75 -1.06 -3.37 115.11 116.38 2ka4 h GLN 413 Ca 0.22 -0.23 0.05 0.00 -0.15 0.00 0.00 58.65 58.54 2ka4 h GLN 413 Cb 0.47 0.09 -0.05 0.00 1.07 0.00 0.00 27.48 29.06 2ka4 h GLN 413 CO -0.05 1.11 0.40 0.97 -2.65 0.00 0.00 178.83 178.61 2ka4 h ILE 414 N -0.68 1.01 -0.04 2.39 2.10 -0.50 -3.03 117.51 118.75 2ka4 h ILE 414 Ca -0.15 -0.26 -0.00 0.00 1.08 0.00 0.00 64.86 65.53 2ka4 h ILE 414 Cb 1.38 0.19 -0.00 0.00 -1.09 0.00 0.00 36.82 37.30 2ka4 h ILE 414 CO 0.03 0.14 0.02 0.40 -1.08 0.00 0.00 178.15 177.66 2ka4 h ILE 415 N 0.75 1.06 -0.07 2.19 2.04 -1.58 -3.05 117.51 118.85 2ka4 h ILE 415 Ca 0.30 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 2ka4 h ILE 415 Cb 0.14 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2ka4 h ILE 415 CO -0.16 0.05 -0.01 -1.28 0.00 0.00 0.00 178.15 176.76 2ka4 h SER 416 N -0.00 0.08 0.60 1.72 0.87 -1.70 -2.99 113.55 112.13 2ka4 h SER 416 Ca 0.01 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 2ka4 h SER 416 Cb 0.06 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 2ka4 h SER 416 CO -0.00 0.11 -0.40 -0.74 -0.53 0.00 0.00 176.83 175.27 2ka4 h HIS 417 N 0.09 -1.06 -0.80 2.24 -0.00 -1.45 -2.93 115.15 111.25 2ka4 h HIS 417 Ca 0.02 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.46 2ka4 h HIS 417 Cb 0.08 0.38 -0.05 0.00 -0.00 0.00 0.00 27.41 27.82 2ka4 h HIS 417 CO 0.00 -0.59 0.52 2.35 -0.00 0.00 0.00 177.93 180.21 2ka4 h TRP 418 N -0.96 0.84 0.00 5.26 2.91 -1.63 -0.08 115.95 122.30 2ka4 h TRP 418 Ca -0.07 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.97 2ka4 h TRP 418 Cb 0.79 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 29.16 2ka4 h TRP 418 CO -0.12 0.42 0.00 1.63 -1.03 0.00 0.00 178.44 179.34 2ka4 n LYS 419 N -4.50 0.01 0.00 2.65 5.02 -1.14 -3.93 118.16 116.27 2ka4 n LYS 419 Ca 0.13 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 2ka4 n LYS 419 Cb 0.26 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 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 -1.49 3.29 -4.59 4.39 3.02 -0.54 -5.04 115.26 114.31 2ka4 n ASN 420 Ca 0.04 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.16 2ka4 n ASN 420 Cb 0.16 0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 39.81 2ka4 n ASN 420 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ka4 n THR 422 N 7.52 0.18 -1.94 0.00 -2.24 -1.26 -4.91 114.28 111.63 2ka4 n THR 422 Ca 0.25 -0.10 -0.42 0.00 -2.27 0.00 0.00 64.05 61.51 2ka4 n THR 422 Cb 0.47 -0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 2ka4 n THR 422 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2ka4 s ARG 423 N -3.04 4.19 0.00 -0.78 0.52 -1.26 -4.91 118.95 113.67 2ka4 s ARG 423 Ca 0.12 2.30 0.25 0.00 -0.52 0.00 0.00 55.73 57.88 2ka4 s ARG 423 Cb 0.17 -3.79 1.40 0.00 0.52 0.00 0.00 34.95 33.25 2ka4 s ARG 423 CO 0.60 -0.79 1.85 -2.39 0.02 0.00 0.00 175.30 174.59 2ka4 n HIS 424 N 6.30 0.00 -1.30 -0.53 1.44 -1.26 -3.62 115.22 116.24 2ka4 n HIS 424 Ca 0.17 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.91 2ka4 n HIS 424 Cb 0.41 -0.12 0.05 0.00 0.12 0.00 0.00 29.99 30.46 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 -1.12 1.07 -4.68 4.39 5.75 -1.26 -4.84 116.55 115.86 2ka4 n ASP 425 Ca 0.16 -2.25 -0.44 0.00 -0.01 0.00 0.00 54.79 52.24 2ka4 n ASP 425 Cb 0.13 -0.23 -0.03 0.00 -1.03 0.00 0.00 41.12 39.96 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 4.55 0.00 0.00 0.00 0.13 -1.98 -2.45 132.00 132.25 2ka4 h PRO 427 Ca -0.45 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.30 2ka4 h PRO 427 Cb 1.26 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.34 2ka4 h PRO 427 CO 0.78 0.02 -2.24 0.28 -0.23 0.00 0.00 178.00 176.61 2ka4 n VAL 428 N -3.60 1.42 0.20 1.56 0.31 -1.26 -4.63 118.33 112.33 2ka4 n VAL 428 Ca -0.03 -0.29 0.06 0.00 -0.01 0.00 0.00 64.34 64.07 2ka4 n VAL 428 Cb 0.11 -1.91 0.42 0.00 -0.91 0.00 0.00 33.84 31.56 2ka4 n VAL 428 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ka4 n LEU 430 N -3.74 -0.77 -0.36 0.00 -0.00 -0.92 -0.56 117.00 110.64 2ka4 n LEU 430 Ca -0.01 1.62 -0.00 0.00 -0.00 0.00 0.00 56.01 57.62 2ka4 n LEU 430 Cb 0.42 -0.30 0.13 0.00 -0.00 0.00 0.00 43.42 43.67 2ka4 n LEU 430 CO 0.36 -1.39 1.27 1.55 -0.00 0.00 0.00 177.39 179.18 2ka4 h PRO 431 N 0.00 1.21 -0.36 1.96 0.13 -1.88 0.91 132.00 133.97 2ka4 h PRO 431 Ca 0.24 -0.07 -0.10 0.00 -0.87 0.00 0.00 66.00 65.20 2ka4 h PRO 431 Cb 0.47 -0.27 -0.02 0.00 0.13 0.00 0.00 31.00 31.32 2ka4 h PRO 431 CO -0.89 0.80 -0.18 -0.07 -0.23 0.00 0.00 178.00 177.43 2ka4 h LEU 432 N 1.24 0.66 -0.70 1.56 4.07 -1.11 0.80 115.31 121.84 2ka4 h LEU 432 Ca 0.39 -0.21 -0.10 0.00 0.08 0.00 0.00 57.88 58.03 2ka4 h LEU 432 Cb -0.01 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.53 2ka4 h LEU 432 CO -0.12 0.85 -0.09 0.11 -1.08 0.00 0.00 178.44 178.11 2ka4 h LYS 433 N 0.60 0.91 -0.06 1.13 1.57 -0.23 -2.06 116.57 118.43 2ka4 h LYS 433 Ca 0.09 -0.31 -0.08 0.00 -1.87 0.00 0.00 60.65 58.48 2ka4 h LYS 433 Cb 0.64 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2ka4 h LYS 433 CO 0.04 0.96 -0.35 -0.91 -0.57 0.00 0.00 179.45 178.62 2ka4 h ASN 434 N 0.82 0.12 0.95 0.86 2.35 -0.50 -1.33 115.58 118.85 2ka4 h ASN 434 Ca 0.14 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2ka4 h ASN 434 Cb 0.61 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.95 2ka4 h ASN 434 CO 0.04 0.47 0.00 0.00 -1.65 0.00 0.00 177.43 176.29 2ka4 h ALA 435 N 1.54 1.00 0.00 -0.83 0.00 -0.14 -3.34 119.26 117.49 2ka4 h ALA 435 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2ka4 h ALA 435 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2ka4 h ALA 435 CO 0.05 0.00 -0.01 0.45 0.00 0.00 0.00 179.25 179.74 2ka4 n SER 436 N -2.87 0.30 -3.64 0.00 2.88 -1.02 -5.05 113.62 104.22 2ka4 n SER 436 Ca 0.01 -1.18 -0.12 0.00 -1.33 0.00 0.00 58.87 56.25 2ka4 n SER 436 Cb 0.29 -0.01 -0.05 0.00 -0.75 0.00 0.00 64.21 63.68 2ka4 n SER 436 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2ka4 s ASP 437 N -0.18 -0.27 -1.43 -3.46 2.15 -0.51 -4.96 116.67 108.00 2ka4 s ASP 437 Ca 0.00 -0.12 -0.13 0.00 0.43 0.00 0.00 52.55 52.73 2ka4 s ASP 437 Cb 0.00 0.45 0.10 0.00 -0.30 0.00 0.00 42.92 43.17 2ka4 s ASP 437 CO 0.00 -0.75 0.65 0.29 -0.17 0.00 0.00 175.17 175.19 2ka4 n LYS 438 N 0.19 -3.64 0.00 4.34 4.76 -1.26 -4.35 118.16 118.20 2ka4 n LYS 438 Ca -0.17 0.46 0.00 0.00 -2.87 0.00 0.00 58.31 55.73 2ka4 n LYS 438 Cb 0.62 -5.20 0.00 0.00 -1.84 0.00 0.00 35.03 28.60 2ka4 n LYS 438 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90