#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 1.14 0.00 0.00 1.35 -2.01 -3.49 112.91 109.90 2ka4 h THR 341 Ca 0.00 -1.28 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 2ka4 h THR 341 Cb 0.00 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 2ka4 h THR 341 CO 0.00 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.23 2ka4 n GLY 342 N -0.34 -2.12 0.28 5.82 0.00 -1.26 -4.99 105.19 102.58 2ka4 n GLY 342 Ca -0.02 -1.20 0.15 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.05 -2.60 132.00 129.08 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 0.08 0.00 0.25 -0.23 0.00 0.00 178.00 178.10 2ka4 n THR 344 N -3.46 0.90 0.07 1.56 -2.24 -1.26 -3.35 114.28 106.50 2ka4 n THR 344 Ca -0.02 0.25 -0.01 0.00 -2.27 0.00 0.00 64.05 62.00 2ka4 n THR 344 Cb 0.22 -1.14 0.25 0.00 -2.10 0.00 0.00 70.33 67.56 2ka4 n THR 344 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ka4 h ALA 345 N 2.32 1.20 -1.88 6.98 0.00 -1.86 -3.49 119.26 122.53 2ka4 h ALA 345 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2ka4 h ALA 345 Cb 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2ka4 h ALA 345 CO 0.00 0.52 -0.02 -3.47 0.00 0.00 0.00 179.25 176.28 2ka4 n ASP 346 N -4.12 -0.09 -0.30 0.00 -0.08 -1.21 -4.59 116.55 106.16 2ka4 n ASP 346 Ca -0.01 -0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.41 2ka4 n ASP 346 Cb 0.40 -0.02 0.31 0.00 2.34 0.00 0.00 41.12 44.15 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 0.23 0.33 -0.09 -0.67 0.11 -1.93 0.43 132.00 130.40 2ka4 h PRO 347 Ca -0.01 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 2ka4 h PRO 347 Cb 0.02 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.05 2ka4 h PRO 347 CO 0.00 0.22 -0.05 1.49 -0.21 0.00 0.00 178.00 179.45 2ka4 h GLU 348 N 0.34 0.20 -0.31 1.05 4.81 -2.00 -2.31 114.58 116.36 2ka4 h GLU 348 Ca 0.57 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.70 2ka4 h GLU 348 Cb 1.11 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 2ka4 h GLU 348 CO -0.57 0.57 0.15 -0.22 -0.73 0.00 0.00 179.01 178.21 2ka4 h LYS 349 N -0.17 0.45 -0.70 1.92 3.64 -1.78 -2.31 116.57 117.61 2ka4 h LYS 349 Ca 0.02 -0.07 0.14 0.00 -1.27 0.00 0.00 60.65 59.47 2ka4 h LYS 349 Cb 0.51 -0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 32.15 2ka4 h LYS 349 CO 0.01 0.42 0.20 -0.09 -2.27 0.00 0.00 179.45 177.72 2ka4 h ARG 350 N 0.37 0.31 -0.46 1.90 1.12 -0.95 -0.98 114.38 115.69 2ka4 h ARG 350 Ca 0.11 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.95 2ka4 h ARG 350 Cb 0.12 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 29.99 2ka4 h ARG 350 CO -0.01 0.20 0.25 -0.22 -3.11 0.00 0.00 179.97 177.08 2ka4 h LYS 351 N 0.32 0.64 0.05 0.20 3.64 -1.16 -2.97 116.57 117.28 2ka4 h LYS 351 Ca 0.38 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.70 2ka4 h LYS 351 Cb 0.61 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2ka4 h LYS 351 CO -0.45 0.51 -0.09 -0.07 -2.27 0.00 0.00 179.45 177.08 2ka4 h LEU 352 N 0.60 -0.25 -0.76 5.20 3.38 -0.63 -0.48 115.31 122.37 2ka4 h LEU 352 Ca 0.16 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 2ka4 h LEU 352 Cb 0.06 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2ka4 h LEU 352 CO -0.03 -0.14 0.36 0.16 0.09 0.00 0.00 178.44 178.89 2ka4 h ILE 353 N -0.18 1.25 -0.52 1.22 -2.65 -1.52 -1.70 117.51 113.40 2ka4 h ILE 353 Ca 0.02 -0.69 0.06 0.00 1.03 0.00 0.00 64.86 65.27 2ka4 h ILE 353 Cb 0.20 0.29 -0.05 0.00 -2.05 0.00 0.00 36.82 35.20 2ka4 h ILE 353 CO -0.06 0.29 0.24 1.56 0.03 0.00 0.00 178.15 180.21 2ka4 h GLN 354 N 1.08 0.44 -0.20 0.16 4.20 -1.32 -1.04 115.11 118.43 2ka4 h GLN 354 Ca 0.26 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.93 2ka4 h GLN 354 Cb 0.13 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 2ka4 h GLN 354 CO -0.03 0.29 0.06 1.96 -0.67 0.00 0.00 178.83 180.44 2ka4 h GLN 355 N 0.46 0.32 -0.51 1.46 4.20 -0.77 -1.52 115.11 118.74 2ka4 h GLN 355 Ca 0.24 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 2ka4 h GLN 355 Cb 0.20 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2ka4 h GLN 355 CO -0.20 0.42 0.21 0.37 -0.67 0.00 0.00 178.83 178.96 2ka4 h GLN 356 N 0.15 0.76 0.06 1.46 4.15 -1.16 -1.28 115.11 119.26 2ka4 h GLN 356 Ca 0.06 -0.14 0.02 0.00 0.77 0.00 0.00 58.65 59.37 2ka4 h GLN 356 Cb 0.24 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 2ka4 h GLN 356 CO -0.00 0.67 -0.21 1.25 -1.93 0.00 0.00 178.83 178.61 2ka4 h LEU 357 N 0.68 -0.60 -0.86 -2.39 6.46 -1.09 -1.72 115.31 115.80 2ka4 h LEU 357 Ca 0.17 0.08 -0.05 0.00 -0.12 0.00 0.00 57.88 57.95 2ka4 h LEU 357 Cb 0.19 0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.33 2ka4 h LEU 357 CO -0.01 -0.29 0.23 0.58 -0.62 0.00 0.00 178.44 178.33 2ka4 h VAL 358 N -0.37 1.25 -0.98 1.05 2.07 -1.23 -1.40 116.25 116.65 2ka4 h VAL 358 Ca 0.04 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.71 2ka4 h VAL 358 Cb 0.41 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.60 2ka4 h VAL 358 CO -0.15 0.34 0.64 -0.07 0.02 0.00 0.00 177.57 178.35 2ka4 h LEU 359 N 1.04 1.13 -0.29 2.57 3.38 -0.95 -0.22 115.31 121.97 2ka4 h LEU 359 Ca 0.23 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 2ka4 h LEU 359 Cb 0.27 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2ka4 h LEU 359 CO -0.01 0.83 0.05 -0.07 0.09 0.00 0.00 178.44 179.33 2ka4 h LEU 360 N 1.33 0.46 -1.49 1.67 3.38 -0.98 -1.55 115.31 118.14 2ka4 h LEU 360 Ca 0.36 -0.25 0.06 0.00 0.09 0.00 0.00 57.88 58.13 2ka4 h LEU 360 Cb -0.14 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 2ka4 h LEU 360 CO -0.08 0.59 0.41 -0.07 0.09 0.00 0.00 178.44 179.39 2ka4 h LEU 361 N 0.31 0.55 0.44 1.67 3.38 -0.70 0.90 115.31 121.85 2ka4 h LEU 361 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2ka4 h LEU 361 Cb 0.32 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2ka4 h LEU 361 CO 0.00 0.36 -0.21 -0.74 0.09 0.00 0.00 178.44 177.94 2ka4 h HIS 362 N 0.63 -0.55 -0.82 1.13 2.76 -0.88 -3.33 115.15 114.11 2ka4 h HIS 362 Ca 0.27 -0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.56 2ka4 h HIS 362 Cb 0.26 0.18 -0.06 0.00 1.55 0.00 0.00 27.41 29.34 2ka4 h HIS 362 CO -0.00 -0.26 0.53 0.00 -1.30 0.00 0.00 177.93 176.90 2ka4 h ALA 363 N -0.92 1.92 -0.73 5.26 0.00 -1.05 -1.83 119.26 121.90 2ka4 h ALA 363 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 54.91 54.98 2ka4 h ALA 363 Cb 0.53 -0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.08 2ka4 h ALA 363 CO 0.10 -0.13 -0.32 1.25 0.00 0.00 0.00 179.25 180.15 2ka4 h HIS 364 N 0.60 -0.88 0.00 0.00 6.17 -0.92 0.41 115.15 120.53 2ka4 h HIS 364 Ca 0.40 0.08 -0.28 0.00 0.71 0.00 0.00 60.37 61.28 2ka4 h HIS 364 Cb 0.70 0.49 -0.05 0.00 2.52 0.00 0.00 27.41 31.07 2ka4 h HIS 364 CO -0.00 -0.38 -1.69 1.63 0.71 0.00 0.00 177.93 178.20 2ka4 n LYS 365 N -5.46 0.63 -0.20 5.26 5.02 -1.09 -4.16 118.16 118.17 2ka4 n LYS 365 Ca 0.07 0.30 0.01 0.00 -2.02 0.00 0.00 58.31 56.66 2ka4 n LYS 365 Cb 0.37 -1.80 0.26 0.00 -0.02 0.00 0.00 35.03 33.84 2ka4 n LYS 365 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ka4 h GLN 367 N 0.98 0.00 0.13 0.00 4.15 -1.09 -2.57 115.11 116.71 2ka4 h GLN 367 Ca 0.26 0.00 -0.36 0.00 0.77 0.00 0.00 58.65 59.32 2ka4 h GLN 367 Cb -0.10 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 2ka4 h GLN 367 CO -0.06 0.00 -1.98 0.00 -1.93 0.00 0.00 178.83 174.86 2ka4 h ARG 368 N 0.00 0.27 -0.44 1.69 2.47 -1.31 -3.17 114.38 113.90 2ka4 h ARG 368 Ca 0.03 -0.47 -0.03 0.00 -1.26 0.00 0.00 59.98 58.26 2ka4 h ARG 368 Cb 0.13 0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.61 2ka4 h ARG 368 CO -0.00 1.22 0.16 0.07 0.56 0.00 0.00 179.97 181.98 2ka4 h ARG 369 N 0.07 0.62 -0.45 0.04 0.11 -1.07 -1.93 114.38 111.78 2ka4 h ARG 369 Ca -0.42 -0.09 -0.09 0.00 0.10 0.00 0.00 59.98 59.48 2ka4 h ARG 369 Cb 2.04 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 32.99 2ka4 h ARG 369 CO 0.09 0.53 -0.06 0.93 0.10 0.00 0.00 179.97 181.57 2ka4 h GLU 370 N 0.62 0.84 -0.22 0.08 5.08 -1.61 -1.92 114.58 117.46 2ka4 h GLU 370 Ca 0.15 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 2ka4 h GLU 370 Cb 0.15 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2ka4 h GLU 370 CO -0.01 0.92 0.02 0.37 -1.00 0.00 0.00 179.01 179.31 2ka4 h GLN 371 N 0.68 0.31 -0.00 2.33 5.75 -1.40 -2.13 115.11 120.65 2ka4 h GLN 371 Ca 0.12 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.58 2ka4 h GLN 371 Cb 0.58 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.08 2ka4 h GLN 371 CO 0.03 0.32 -0.23 0.00 -2.65 0.00 0.00 178.83 176.30 2ka4 n ALA 372 N -2.49 2.90 -3.44 3.38 0.00 -0.77 -4.56 120.51 115.53 2ka4 n ALA 372 Ca 0.00 -0.22 -0.27 0.00 0.00 0.00 0.00 53.44 52.95 2ka4 n ALA 372 Cb 0.17 -1.31 -0.10 0.00 0.00 0.00 0.00 19.45 18.21 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 -3.00 1.85 0.63 0.00 0.01 -0.74 -5.02 114.94 108.67 2ka4 s ASN 373 Ca 0.13 -3.03 0.25 0.00 -0.71 0.00 0.00 52.86 49.50 2ka4 s ASN 373 Cb 0.18 -0.53 1.29 0.00 0.41 0.00 0.00 41.25 42.61 2ka4 s ASN 373 CO 0.61 -0.18 1.73 1.23 -1.51 0.00 0.00 177.10 178.98 2ka4 h GLY 374 N 5.78 0.00 0.58 0.66 0.00 -1.80 -2.37 103.07 105.92 2ka4 h GLY 374 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2ka4 h GLY 374 CO 0.39 0.00 0.00 -1.84 0.00 0.00 0.00 176.54 175.09 2ka4 n GLU 375 N -3.18 0.87 -3.86 4.80 0.00 -1.26 -4.81 120.64 113.21 2ka4 n GLU 375 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 57.09 2ka4 n GLU 375 Cb 0.69 -1.29 -0.12 0.00 0.00 0.00 0.00 31.44 30.72 2ka4 n GLU 375 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2ka4 s VAL 376 N -2.00 0.02 0.00 3.84 0.11 -0.89 -5.05 120.40 116.43 2ka4 s VAL 376 Ca 0.24 -0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 2ka4 s VAL 376 Cb 0.11 -0.20 0.00 0.00 -1.53 0.00 0.00 36.38 34.76 2ka4 s VAL 376 CO 0.19 -0.10 0.52 -1.14 -3.33 0.00 0.00 175.10 171.23 2ka4 n ARG 377 N 2.66 0.00 -3.49 1.54 3.00 -1.26 -4.74 116.66 114.37 2ka4 n ARG 377 Ca -0.15 -0.52 -0.10 0.00 -0.00 0.00 0.00 57.85 57.09 2ka4 n ARG 377 Cb 0.58 -0.49 -0.02 0.00 0.00 0.00 0.00 32.46 32.54 2ka4 n ARG 377 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ka4 s ALA 378 N 0.00 -1.71 0.11 5.13 0.00 -1.26 -4.95 121.76 119.08 2ka4 s ALA 378 Ca 0.00 0.72 0.01 0.00 0.00 0.00 0.00 51.96 52.69 2ka4 s ALA 378 Cb 0.00 0.63 -0.00 0.00 0.00 0.00 0.00 23.12 23.74 2ka4 s ALA 378 CO 0.00 -0.75 0.11 0.00 0.00 0.00 0.00 175.76 175.12 2ka4 h SER 380 N 0.64 0.00 -2.73 0.00 0.02 -2.05 -3.45 113.55 105.98 2ka4 h SER 380 Ca -0.08 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.32 2ka4 h SER 380 Cb 0.38 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2ka4 h SER 380 CO 0.11 0.00 0.99 -0.76 -1.14 0.00 0.00 176.83 176.03 2ka4 s LEU 381 N -5.39 4.31 0.57 5.07 2.01 -1.26 -4.92 118.68 119.07 2ka4 s LEU 381 Ca -0.02 2.17 0.33 0.00 0.01 0.00 0.00 54.13 56.63 2ka4 s LEU 381 Cb 0.10 -3.54 1.41 0.00 0.01 0.00 0.00 46.19 44.16 2ka4 s LEU 381 CO 0.36 -0.85 1.71 -0.65 1.01 0.00 0.00 176.35 177.93 2ka4 h PRO 382 N 8.78 0.00 0.00 1.29 0.11 -2.05 -2.73 132.00 137.40 2ka4 h PRO 382 Ca -0.38 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 2ka4 h PRO 382 Cb 1.17 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 2ka4 h PRO 382 CO 0.94 0.00 -0.37 0.72 -0.21 0.00 0.00 178.00 179.08 2ka4 n HIS 383 N -3.80 0.00 -0.02 0.65 8.25 -1.26 -4.91 115.22 114.13 2ka4 n HIS 383 Ca 0.21 -0.60 -0.09 0.00 -0.26 0.00 0.00 57.72 56.99 2ka4 n HIS 383 Cb 1.20 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 32.15 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 -0.08 0.00 0.02 0.00 -0.00 -1.91 -1.01 114.38 111.40 2ka4 h ARG 385 Ca 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 60.07 2ka4 h ARG 385 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.18 2ka4 h ARG 385 CO -0.20 0.27 -0.01 1.15 -0.00 0.00 0.00 179.97 181.18 2ka4 h THR 386 N 0.00 1.11 -0.34 0.08 2.02 -1.78 -1.59 112.91 112.41 2ka4 h THR 386 Ca -0.00 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.74 2ka4 h THR 386 Cb 0.59 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 2ka4 h THR 386 CO 0.04 0.10 -0.01 0.24 0.37 0.00 0.00 175.52 176.26 2ka4 h MET 387 N -0.19 0.60 -0.68 6.66 2.86 -1.09 -2.19 114.93 120.91 2ka4 h MET 387 Ca -0.00 -0.19 0.05 0.00 -2.06 0.00 0.00 59.70 57.49 2ka4 h MET 387 Cb 0.18 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.73 2ka4 h MET 387 CO 0.00 0.73 0.40 0.87 1.06 0.00 0.00 176.91 179.97 2ka4 h LYS 388 N 0.41 0.73 -0.58 1.72 1.57 -1.14 0.62 116.57 119.91 2ka4 h LYS 388 Ca 0.10 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 2ka4 h LYS 388 Cb 0.46 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2ka4 h LYS 388 CO 0.02 0.48 0.07 -0.91 -0.57 0.00 0.00 179.45 178.55 2ka4 h ASN 389 N 0.75 0.94 -0.32 0.86 2.35 -1.26 -1.28 115.58 117.62 2ka4 h ASN 389 Ca 0.29 -0.27 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 2ka4 h ASN 389 Cb 0.12 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2ka4 h ASN 389 CO -0.15 0.97 0.08 0.58 -1.65 0.00 0.00 177.43 177.26 2ka4 h VAL 390 N 0.87 1.22 -0.19 2.81 2.07 -0.82 -1.46 116.25 120.74 2ka4 h VAL 390 Ca 0.17 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 2ka4 h VAL 390 Cb 0.45 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2ka4 h VAL 390 CO 0.02 0.24 0.04 -0.07 0.02 0.00 0.00 177.57 177.82 2ka4 h LEU 391 N 0.35 0.28 -0.76 2.57 3.38 -0.85 -0.09 115.31 120.19 2ka4 h LEU 391 Ca 0.10 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.89 2ka4 h LEU 391 Cb 0.28 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 2ka4 h LEU 391 CO -0.00 0.44 0.46 -1.13 0.09 0.00 0.00 178.44 178.31 2ka4 h ASN 392 N 0.11 0.73 0.34 -0.43 -0.73 -1.21 -0.84 115.58 113.55 2ka4 h ASN 392 Ca 0.06 0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.23 2ka4 h ASN 392 Cb 0.27 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.73 2ka4 h ASN 392 CO 0.00 0.48 -0.16 -0.74 -0.37 0.00 0.00 177.43 176.64 2ka4 h HIS 393 N 0.87 -0.43 -0.98 0.67 2.76 -1.05 -3.08 115.15 113.91 2ka4 h HIS 393 Ca 0.33 -0.01 0.17 0.00 -2.20 0.00 0.00 60.37 58.65 2ka4 h HIS 393 Cb 0.12 0.14 -0.09 0.00 1.55 0.00 0.00 27.41 29.13 2ka4 h HIS 393 CO -0.05 -0.24 0.61 0.52 -1.30 0.00 0.00 177.93 177.47 2ka4 h MET 394 N -0.50 0.75 0.00 5.26 2.86 -0.62 0.52 114.93 123.20 2ka4 h MET 394 Ca -0.05 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2ka4 h MET 394 Cb 0.38 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2ka4 h MET 394 CO 0.08 0.50 0.00 2.41 1.06 0.00 0.00 176.91 180.95 2ka4 n THR 395 N -4.66 1.10 0.00 2.22 -1.04 -0.36 -3.10 114.28 108.45 2ka4 n THR 395 Ca 0.21 0.63 0.00 0.00 -2.04 0.00 0.00 64.05 62.85 2ka4 n THR 395 Cb 0.52 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.41 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 -2.17 0.00 -2.01 -1.42 8.25 -0.39 -5.08 115.22 112.41 2ka4 n HIS 396 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 2ka4 n HIS 396 Cb 0.06 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 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 4.28 2.70 0.18 0.00 1.13 -1.26 -4.58 117.38 119.83 2ka4 n GLN 398 Ca 0.13 -0.17 0.06 0.00 -1.94 0.00 0.00 57.00 55.08 2ka4 n GLN 398 Cb 0.40 -1.10 0.21 0.00 0.11 0.00 0.00 30.24 29.86 2ka4 n GLN 398 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ka4 h ALA 399 N 1.86 0.85 0.00 -1.58 0.00 -1.94 -3.47 119.26 114.97 2ka4 h ALA 399 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2ka4 h ALA 399 Cb 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2ka4 h ALA 399 CO 0.00 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.12 2ka4 n GLY 400 N 0.74 1.09 0.10 0.00 0.00 -1.26 -1.15 105.19 104.71 2ka4 n GLY 400 Ca 0.01 0.58 0.05 0.00 0.00 0.00 0.00 46.02 46.67 2ka4 n GLY 400 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2ka4 n LYS 401 N 0.00 0.07 0.00 1.61 2.85 -1.26 -1.70 118.16 119.73 2ka4 n LYS 401 Ca 0.00 0.52 0.00 0.00 -1.05 0.00 0.00 58.31 57.78 2ka4 n LYS 401 Cb 0.00 -1.88 0.00 0.00 -0.65 0.00 0.00 35.03 32.50 2ka4 n LYS 401 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ka4 n ALA 402 N -1.56 1.79 -1.74 0.58 0.00 -0.30 -5.10 120.51 114.19 2ka4 n ALA 402 Ca -0.01 -0.87 -0.38 0.00 0.00 0.00 0.00 53.44 52.19 2ka4 n ALA 402 Cb 0.16 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.66 2ka4 n ALA 402 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ka4 h GLN 404 N 1.05 0.00 -6.63 0.00 4.15 -1.96 -3.44 115.11 108.28 2ka4 h GLN 404 Ca -0.51 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.35 2ka4 h GLN 404 Cb 1.31 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.93 2ka4 h GLN 404 CO 0.55 0.25 0.93 0.08 -1.93 0.00 0.00 178.83 178.71 2ka4 s VAL 405 N -3.09 4.14 0.40 2.39 1.01 -1.26 -4.93 120.40 119.07 2ka4 s VAL 405 Ca 0.05 1.07 0.14 0.00 0.00 0.00 0.00 61.98 63.24 2ka4 s VAL 405 Cb 0.06 -4.65 0.35 0.00 0.00 0.00 0.00 36.38 32.15 2ka4 s VAL 405 CO 0.71 -1.14 1.89 0.00 0.00 0.00 0.00 175.10 176.57 2ka4 h ALA 406 N 9.35 2.05 0.00 5.51 0.00 -2.03 -2.29 119.26 131.86 2ka4 h ALA 406 Ca -0.24 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2ka4 h ALA 406 Cb 1.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2ka4 h ALA 406 CO 1.15 -0.28 -0.47 0.45 0.00 0.00 0.00 179.25 180.10 2ka4 h HIS 407 N 0.49 0.00 0.40 0.00 3.86 -1.98 -3.36 115.15 114.56 2ka4 h HIS 407 Ca 0.41 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.60 2ka4 h HIS 407 Cb 0.87 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.34 2ka4 h HIS 407 CO -0.00 0.05 -0.19 0.00 0.86 0.00 0.00 177.93 178.65 2ka4 h ALA 409 N -1.65 1.48 0.14 0.00 0.00 -1.78 -1.14 119.26 116.31 2ka4 h ALA 409 Ca -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2ka4 h ALA 409 Cb 0.41 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2ka4 h ALA 409 CO 0.09 0.47 -0.07 0.66 0.00 0.00 0.00 179.25 180.40 2ka4 h SER 410 N 0.92 -0.16 -0.52 0.00 4.64 -1.70 -3.00 113.55 113.73 2ka4 h SER 410 Ca 0.24 -0.22 0.09 0.00 -0.47 0.00 0.00 61.79 61.44 2ka4 h SER 410 Cb -0.06 0.04 -0.08 0.00 -0.31 0.00 0.00 62.40 61.99 2ka4 h SER 410 CO -0.05 0.14 0.08 0.28 -0.87 0.00 0.00 176.83 176.42 2ka4 h SER 411 N -0.47 -0.05 -0.39 4.97 0.02 -1.08 0.94 113.55 117.50 2ka4 h SER 411 Ca -0.02 0.10 0.11 0.00 -0.84 0.00 0.00 61.79 61.15 2ka4 h SER 411 Cb 0.37 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 2ka4 h SER 411 CO 0.03 0.00 0.32 0.03 -1.14 0.00 0.00 176.83 176.07 2ka4 h ARG 412 N 0.21 0.00 0.07 3.45 3.08 -1.20 -2.28 114.38 117.71 2ka4 h ARG 412 Ca 0.27 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 60.01 2ka4 h ARG 412 Cb 0.38 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 2ka4 h ARG 412 CO -0.37 0.00 -1.67 0.94 -1.07 0.00 0.00 179.97 177.81 2ka4 n GLN 413 N -4.16 0.67 -0.25 0.04 -0.06 -0.58 -4.34 117.38 108.70 2ka4 n GLN 413 Ca 0.07 0.41 -0.02 0.00 -2.00 0.00 0.00 57.00 55.46 2ka4 n GLN 413 Cb 0.51 -1.73 0.10 0.00 -4.06 0.00 0.00 30.24 25.06 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 -0.43 1.03 -0.18 1.69 2.10 -0.44 -2.86 117.51 118.41 2ka4 h ILE 414 Ca -0.39 -0.28 -0.00 0.00 1.08 0.00 0.00 64.86 65.27 2ka4 h ILE 414 Cb 1.70 0.15 -0.01 0.00 -1.09 0.00 0.00 36.82 37.57 2ka4 h ILE 414 CO -0.06 0.15 0.10 0.40 -1.08 0.00 0.00 178.15 177.66 2ka4 h ILE 415 N 0.80 1.10 -0.14 2.19 2.04 -1.66 -2.93 117.51 118.91 2ka4 h ILE 415 Ca 0.31 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.94 2ka4 h ILE 415 Cb 0.13 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2ka4 h ILE 415 CO -0.16 0.09 0.19 0.28 0.00 0.00 0.00 178.15 178.56 2ka4 h SER 416 N 0.19 0.00 0.41 1.72 0.02 -1.70 -2.25 113.55 111.94 2ka4 h SER 416 Ca 0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.99 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 -0.01 0.00 -0.20 -0.74 -1.14 0.00 0.00 176.83 174.74 2ka4 h HIS 417 N 0.00 -0.51 -0.79 3.45 -0.00 -1.48 -3.24 115.15 112.57 2ka4 h HIS 417 Ca 0.07 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.47 2ka4 h HIS 417 Cb 0.45 0.17 -0.05 0.00 -0.00 0.00 0.00 27.41 27.98 2ka4 h HIS 417 CO 0.00 -0.18 0.52 2.35 -0.00 0.00 0.00 177.93 180.61 2ka4 h TRP 418 N -0.93 0.91 0.00 5.26 2.91 -1.57 -0.57 115.95 121.97 2ka4 h TRP 418 Ca -0.06 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.99 2ka4 h TRP 418 Cb 0.56 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 28.90 2ka4 h TRP 418 CO 0.02 0.51 0.00 0.87 -1.03 0.00 0.00 178.44 178.81 2ka4 h LYS 419 N 0.92 0.00 0.00 2.65 1.57 -1.47 -3.32 116.57 116.92 2ka4 h LYS 419 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2ka4 h LYS 419 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2ka4 h LYS 419 CO -0.10 0.00 -0.56 0.09 -0.57 0.00 0.00 179.45 178.31 2ka4 n ASN 420 N -2.40 2.80 -4.77 0.86 3.02 -0.72 -5.09 115.26 108.97 2ka4 n ASN 420 Ca -0.01 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.14 2ka4 n ASN 420 Cb 0.06 0.34 -0.01 0.00 -0.61 0.00 0.00 39.78 39.57 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 0.21 0.00 -1.74 0.00 -2.24 -1.26 -4.97 114.28 104.28 2ka4 n THR 422 Ca 0.03 -0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 61.18 2ka4 n THR 422 Cb 0.43 1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 69.78 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 -0.34 2.71 0.00 -0.78 3.52 -1.26 -4.89 118.95 117.91 2ka4 s ARG 423 Ca 0.00 1.46 0.06 0.00 -0.13 0.00 0.00 55.73 57.12 2ka4 s ARG 423 Cb 0.00 -4.42 0.35 0.00 -1.56 0.00 0.00 34.95 29.32 2ka4 s ARG 423 CO 0.00 -2.59 0.89 -2.39 -0.81 0.00 0.00 175.30 170.40 2ka4 n HIS 424 N 13.13 0.00 -1.68 5.12 1.44 -1.26 -2.29 115.22 129.69 2ka4 n HIS 424 Ca 0.29 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 56.04 2ka4 n HIS 424 Cb 0.50 -0.08 0.05 0.00 0.12 0.00 0.00 29.99 30.58 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 -1.08 0.84 -4.68 4.39 5.75 -1.26 -4.87 116.55 115.65 2ka4 n ASP 425 Ca 0.04 -2.39 -0.46 0.00 -0.01 0.00 0.00 54.79 51.97 2ka4 n ASP 425 Cb 0.03 -0.28 -0.04 0.00 -1.03 0.00 0.00 41.12 39.79 2ka4 n ASP 425 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ka4 h PRO 427 N 6.65 0.00 0.00 0.00 0.11 -1.99 -0.92 132.00 135.86 2ka4 h PRO 427 Ca -0.45 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.37 2ka4 h PRO 427 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 2ka4 h PRO 427 CO 0.91 0.00 -1.98 0.28 -0.21 0.00 0.00 178.00 177.00 2ka4 n VAL 428 N -4.00 0.96 0.23 3.15 0.31 -1.26 -4.66 118.33 113.07 2ka4 n VAL 428 Ca 0.10 -0.28 0.11 0.00 -0.01 0.00 0.00 64.34 64.27 2ka4 n VAL 428 Cb 0.69 -1.57 0.54 0.00 -0.91 0.00 0.00 33.84 32.59 2ka4 n VAL 428 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ka4 h LEU 430 N 0.00 -1.62 -0.89 0.00 5.85 -1.43 0.28 115.31 117.49 2ka4 h LEU 430 Ca -0.00 0.31 0.07 0.00 0.84 0.00 0.00 57.88 59.10 2ka4 h LEU 430 Cb 0.63 0.80 -0.07 0.00 0.37 0.00 0.00 40.66 42.40 2ka4 h LEU 430 CO 0.03 -0.28 0.56 1.55 -0.34 0.00 0.00 178.44 179.95 2ka4 h PRO 431 N -0.02 0.97 -0.55 5.25 0.13 -1.86 0.34 132.00 136.26 2ka4 h PRO 431 Ca 0.29 -0.06 -0.11 0.00 -0.87 0.00 0.00 66.00 65.25 2ka4 h PRO 431 Cb 0.55 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 31.44 2ka4 h PRO 431 CO -0.96 0.64 -0.09 -0.07 -0.23 0.00 0.00 178.00 177.29 2ka4 h LEU 432 N 1.00 1.03 -0.72 1.56 4.07 -1.05 0.12 115.31 121.30 2ka4 h LEU 432 Ca 0.40 -0.33 -0.05 0.00 0.08 0.00 0.00 57.88 57.97 2ka4 h LEU 432 Cb 0.21 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.64 2ka4 h LEU 432 CO -0.19 1.12 0.24 0.11 -1.08 0.00 0.00 178.44 178.65 2ka4 h LYS 433 N 0.92 1.11 -0.30 1.13 1.57 -0.11 -2.63 116.57 118.27 2ka4 h LYS 433 Ca 0.15 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 2ka4 h LYS 433 Cb 0.65 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2ka4 h LYS 433 CO 0.05 0.94 -0.02 -0.91 -0.57 0.00 0.00 179.45 178.94 2ka4 h ASN 434 N 1.06 0.53 0.00 0.86 2.35 -0.78 -2.69 115.58 116.92 2ka4 h ASN 434 Ca 0.24 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2ka4 h ASN 434 Cb 0.28 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2ka4 h ASN 434 CO -0.01 0.73 0.32 0.00 -1.65 0.00 0.00 177.43 176.82 2ka4 h ALA 435 N 0.82 1.31 0.00 -0.83 0.00 -0.41 -1.25 119.26 118.91 2ka4 h ALA 435 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2ka4 h ALA 435 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2ka4 h ALA 435 CO 0.02 -0.31 -0.09 0.45 0.00 0.00 0.00 179.25 179.32 2ka4 n SER 436 N -2.79 1.37 0.00 0.00 2.88 -1.07 -4.73 113.62 109.27 2ka4 n SER 436 Ca -0.02 -2.13 0.00 0.00 -1.33 0.00 0.00 58.87 55.39 2ka4 n SER 436 Cb 0.37 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 2ka4 n SER 436 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2ka4 n ASP 437 N -0.59 2.57 -0.21 -3.46 2.03 -0.65 -4.79 116.55 111.44 2ka4 n ASP 437 Ca 0.05 -0.16 0.17 0.00 0.52 0.00 0.00 54.79 55.37 2ka4 n ASP 437 Cb 0.49 0.83 0.49 0.00 -0.72 0.00 0.00 41.12 42.21 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 0.43 0.00 -0.67 3.64 -1.54 -3.50 116.57 114.93 2ka4 h LYS 438 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2ka4 h LYS 438 Cb 0.00 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 2ka4 h LYS 438 CO 0.00 0.29 0.00 2.89 -2.27 0.00 0.00 179.45 180.36