#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r8u n THR 341 N 0.00 0.36 -3.81 0.00 -2.24 -1.26 -4.91 114.28 102.41 1r8u n THR 341 Ca 0.00 0.09 -0.05 0.00 -2.27 0.00 0.00 64.05 61.81 1r8u n THR 341 Cb 0.00 -0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 67.53 1r8u n THR 341 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1r8u s GLY 342 N -2.84 -0.05 0.88 3.38 0.00 -1.26 -5.19 107.32 102.24 1r8u s GLY 342 Ca 0.15 -0.21 -0.12 0.00 0.00 0.00 0.00 44.72 44.54 1r8u s GLY 342 CO 0.40 0.18 1.14 2.56 0.00 0.00 0.00 173.10 177.38 1r8u s PRO 343 N -3.25 1.40 -0.45 2.90 0.04 -1.26 -4.98 135.00 129.41 1r8u s PRO 343 Ca 0.13 0.31 -0.28 0.00 0.04 0.00 0.00 61.00 61.20 1r8u s PRO 343 Cb -0.04 -1.87 -0.00 0.00 0.04 0.00 0.00 34.50 32.63 1r8u s PRO 343 CO 0.06 -2.03 1.61 0.99 0.04 0.00 0.00 177.00 177.67 1r8u s THR 344 N -3.31 3.66 -1.25 1.26 2.01 -1.26 -4.14 115.64 112.61 1r8u s THR 344 Ca 0.63 0.62 -0.17 0.00 0.31 0.00 0.00 61.69 63.07 1r8u s THR 344 Cb -0.14 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.36 1r8u s THR 344 CO 0.53 -0.75 0.33 0.00 -0.69 0.00 0.00 174.62 174.03 1r8u n ALA 345 N 10.06 -2.21 -2.98 7.40 0.00 -1.26 -4.96 120.51 126.55 1r8u n ALA 345 Ca 0.18 -0.47 -0.20 0.00 0.00 0.00 0.00 53.44 52.95 1r8u n ALA 345 Cb 0.48 -1.57 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 1r8u n ALA 345 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1r8u n ASP 346 N -2.20 2.25 0.00 0.00 2.03 -1.26 -4.89 116.55 112.48 1r8u n ASP 346 Ca -0.19 -3.21 0.00 0.00 0.52 0.00 0.00 54.79 51.90 1r8u n ASP 346 Cb 0.57 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 1r8u n ASP 346 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1r8u n PRO 347 N 0.02 3.29 0.24 -0.67 -0.04 -1.26 -4.86 135.00 131.72 1r8u n PRO 347 Ca 0.25 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.89 1r8u n PRO 347 Cb 0.61 0.00 0.88 0.00 -0.04 0.00 0.00 33.50 34.95 1r8u n PRO 347 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1r8u h GLU 348 N 0.00 0.00 -0.39 0.54 4.39 -1.99 -0.41 114.58 116.72 1r8u h GLU 348 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1r8u h GLU 348 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1r8u h GLU 348 CO 0.00 0.00 0.23 0.87 -1.16 0.00 0.00 179.01 178.95 1r8u h LYS 349 N 0.00 0.52 -0.07 2.33 1.79 -1.98 0.04 116.57 119.21 1r8u h LYS 349 Ca 0.06 -0.04 -0.23 0.00 -2.18 0.00 0.00 60.65 58.27 1r8u h LYS 349 Cb 0.48 -0.11 0.01 0.00 -1.58 0.00 0.00 32.23 31.02 1r8u h LYS 349 CO -0.00 0.37 -0.87 -0.09 -1.08 0.00 0.00 179.45 177.78 1r8u h ARG 350 N 0.53 0.62 -0.93 3.15 1.12 -1.41 -1.51 114.38 115.95 1r8u h ARG 350 Ca 0.14 -0.58 0.07 0.00 -1.11 0.00 0.00 59.98 58.51 1r8u h ARG 350 Cb -0.01 0.14 -0.06 0.00 -0.01 0.00 0.00 29.97 30.03 1r8u h ARG 350 CO -0.03 1.19 0.60 -0.22 -3.11 0.00 0.00 179.97 178.41 1r8u h LYS 351 N 0.39 1.01 -0.21 0.20 3.64 -1.35 -1.23 116.57 119.01 1r8u h LYS 351 Ca -0.07 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.14 1r8u h LYS 351 Cb 1.50 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 1r8u h LYS 351 CO 0.17 0.67 -0.33 -0.07 -2.27 0.00 0.00 179.45 177.61 1r8u h LEU 352 N 1.04 0.46 -0.96 5.20 4.07 -0.82 -2.26 115.31 122.03 1r8u h LEU 352 Ca 0.41 -0.18 -0.09 0.00 0.08 0.00 0.00 57.88 58.10 1r8u h LEU 352 Cb 0.23 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 1r8u h LEU 352 CO -0.16 0.76 -0.17 0.16 -1.08 0.00 0.00 178.44 177.96 1r8u h ILE 353 N 0.38 1.25 -0.43 1.22 3.07 -0.17 0.14 117.51 122.97 1r8u h ILE 353 Ca 0.05 -1.15 -0.06 0.00 1.55 0.00 0.00 64.86 65.24 1r8u h ILE 353 Cb 0.77 1.20 -0.02 0.00 -0.27 0.00 0.00 36.82 38.49 1r8u h ILE 353 CO 0.06 0.38 0.01 1.56 -1.05 0.00 0.00 178.15 179.10 1r8u h GLN 354 N 0.51 0.69 -0.10 0.16 4.20 -1.27 -0.52 115.11 118.77 1r8u h GLN 354 Ca 0.09 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 1r8u h GLN 354 Cb 0.58 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 1r8u h GLN 354 CO 0.04 0.70 -0.12 0.37 -0.67 0.00 0.00 178.83 179.15 1r8u h GLN 355 N 0.65 0.27 -0.17 1.46 4.15 -0.95 -3.23 115.11 117.28 1r8u h GLN 355 Ca 0.13 -0.15 0.04 0.00 0.77 0.00 0.00 58.65 59.44 1r8u h GLN 355 Cb 0.40 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.06 1r8u h GLN 355 CO 0.01 0.70 -0.07 1.96 -1.93 0.00 0.00 178.83 179.50 1r8u h GLN 356 N -0.15 -0.04 -0.52 1.69 1.08 -0.56 -3.01 115.11 113.60 1r8u h GLN 356 Ca 0.01 0.00 0.08 0.00 -1.45 0.00 0.00 58.65 57.30 1r8u h GLN 356 Cb 0.66 0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 28.00 1r8u h GLN 356 CO 0.03 -0.03 -0.41 1.25 -0.95 0.00 0.00 178.83 178.72 1r8u h LEU 357 N -0.05 -1.40 -0.30 1.46 5.85 -1.17 0.77 115.31 120.48 1r8u h LEU 357 Ca 0.09 0.23 0.01 0.00 0.84 0.00 0.00 57.88 59.05 1r8u h LEU 357 Cb 0.18 0.64 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1r8u h LEU 357 CO -0.20 -0.34 0.18 0.58 -0.34 0.00 0.00 178.44 178.31 1r8u h VAL 358 N -0.25 1.03 -0.48 1.05 2.07 -1.56 -0.66 116.25 117.46 1r8u h VAL 358 Ca 0.17 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 67.48 1r8u h VAL 358 Cb 0.57 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1r8u h VAL 358 CO -0.65 0.07 -0.04 -0.07 0.02 0.00 0.00 177.57 176.90 1r8u h LEU 359 N 0.36 0.86 0.02 2.57 3.38 -1.34 -1.94 115.31 119.22 1r8u h LEU 359 Ca 0.12 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1r8u h LEU 359 Cb -0.00 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1r8u h LEU 359 CO -0.05 0.98 -0.01 0.25 0.09 0.00 0.00 178.44 179.70 1r8u h LEU 360 N 0.72 -0.02 -1.00 1.67 5.85 -0.68 0.02 115.31 121.87 1r8u h LEU 360 Ca 0.13 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1r8u h LEU 360 Cb 0.56 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 1r8u h LEU 360 CO 0.03 0.00 0.17 -0.07 -0.34 0.00 0.00 178.44 178.23 1r8u h LEU 361 N -0.04 0.82 0.01 2.25 3.38 -1.13 -1.36 115.31 119.25 1r8u h LEU 361 Ca -0.00 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1r8u h LEU 361 Cb 0.03 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1r8u h LEU 361 CO 0.00 0.79 -0.00 -0.74 0.09 0.00 0.00 178.44 178.58 1r8u h HIS 362 N 0.86 -0.01 -0.73 1.13 2.76 -1.11 -2.88 115.15 115.17 1r8u h HIS 362 Ca 0.19 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.45 1r8u h HIS 362 Cb 0.27 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.19 1r8u h HIS 362 CO 0.02 0.20 0.48 0.00 -1.30 0.00 0.00 177.93 177.33 1r8u h ALA 363 N 0.77 1.81 -0.44 5.26 0.00 -0.76 -0.17 119.26 125.74 1r8u h ALA 363 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1r8u h ALA 363 Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1r8u h ALA 363 CO 0.00 0.04 0.23 1.25 0.00 0.00 0.00 179.25 180.77 1r8u h HIS 364 N 0.65 0.62 -0.25 0.00 6.17 -1.13 0.05 115.15 121.27 1r8u h HIS 364 Ca 0.33 -0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.38 1r8u h HIS 364 Cb 0.44 -0.20 -0.01 0.00 2.52 0.00 0.00 27.41 30.16 1r8u h HIS 364 CO -0.00 0.49 0.09 0.87 0.71 0.00 0.00 177.93 180.09 1r8u h LYS 365 N 0.58 0.37 0.00 5.26 1.79 -1.13 -3.13 116.57 120.32 1r8u h LYS 365 Ca 0.15 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1r8u h LYS 365 Cb 0.08 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1r8u h LYS 365 CO -0.02 0.42 0.00 0.00 -1.08 0.00 0.00 179.45 178.77 1r8u h GLN 367 N 0.00 0.00 0.00 0.00 4.20 -0.92 -2.24 115.11 116.15 1r8u h GLN 367 Ca 0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 1r8u h GLN 367 Cb 0.32 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1r8u h GLN 367 CO 0.00 0.12 -0.75 0.00 -0.67 0.00 0.00 178.83 177.52 1r8u h ARG 368 N 0.00 0.00 0.12 1.46 3.08 -1.63 -3.33 114.38 114.08 1r8u h ARG 368 Ca -0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 1r8u h ARG 368 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1r8u h ARG 368 CO 0.02 0.75 -1.23 0.00 -1.07 0.00 0.00 179.97 178.44 1r8u h ARG 369 N 0.00 0.25 0.00 0.04 -0.00 -1.55 -2.89 114.38 110.22 1r8u h ARG 369 Ca -0.01 -0.42 -0.01 0.00 -0.50 0.00 0.00 59.98 59.03 1r8u h ARG 369 Cb 1.53 0.16 -0.00 0.00 0.00 0.00 0.00 29.97 31.65 1r8u h ARG 369 CO 0.10 1.20 -0.07 1.05 0.00 0.00 0.00 179.97 182.25 1r8u h GLU 370 N 0.07 0.00 0.19 0.04 4.11 -1.54 -0.73 114.58 116.72 1r8u h GLU 370 Ca -0.13 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.00 1r8u h GLU 370 Cb 1.96 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.23 1r8u h GLU 370 CO 0.20 0.07 -1.37 1.96 0.07 0.00 0.00 179.01 179.94 1r8u h GLN 371 N 0.00 0.40 0.00 1.06 4.20 -1.67 -2.48 115.11 116.62 1r8u h GLN 371 Ca -0.00 -0.68 -0.08 0.00 0.06 0.00 0.00 58.65 57.94 1r8u h GLN 371 Cb 0.14 0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1r8u h GLN 371 CO 0.01 1.32 -0.40 0.00 -0.67 0.00 0.00 178.83 179.09 1r8u h ALA 372 N 0.38 0.79 0.00 3.87 0.00 -1.21 -3.42 119.26 119.67 1r8u h ALA 372 Ca -0.20 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1r8u h ALA 372 Cb 2.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1r8u h ALA 372 CO 0.24 0.50 -0.31 -1.71 0.00 0.00 0.00 179.25 177.97 1r8u n ASN 373 N -3.27 0.29 0.00 0.00 2.85 -0.33 -5.08 115.26 109.72 1r8u n ASN 373 Ca 0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 1r8u n ASN 373 Cb 0.64 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.66 1r8u n ASN 373 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1r8u n GLY 374 N 2.00 1.63 0.00 8.20 0.00 -0.93 -4.86 105.19 111.24 1r8u n GLY 374 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1r8u n GLY 374 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1r8u n GLU 375 N -0.13 2.01 -3.71 1.61 0.28 -1.26 -4.92 120.64 114.52 1r8u n GLU 375 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.70 1r8u n GLU 375 Cb 0.00 -0.19 0.03 0.00 1.43 0.00 0.00 31.44 32.71 1r8u n GLU 375 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1r8u n VAL 376 N -0.19 -5.37 0.23 3.84 0.31 -1.26 -4.90 118.33 111.00 1r8u n VAL 376 Ca 0.00 -0.70 0.14 0.00 -0.01 0.00 0.00 64.34 63.77 1r8u n VAL 376 Cb 0.00 -4.04 0.75 0.00 -0.91 0.00 0.00 33.84 29.64 1r8u n VAL 376 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1r8u h ARG 377 N -1.56 0.00 0.00 5.55 3.08 -1.99 -2.90 114.38 116.56 1r8u h ARG 377 Ca -0.61 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.42 1r8u h ARG 377 Cb 1.34 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.39 1r8u h ARG 377 CO 0.45 0.00 -0.09 0.00 -1.07 0.00 0.00 179.97 179.27 1r8u h ALA 378 N 1.76 1.26 -2.44 0.04 0.00 -2.04 -3.45 119.26 114.39 1r8u h ALA 378 Ca 0.00 -0.08 -0.52 0.00 0.00 0.00 0.00 54.91 54.31 1r8u h ALA 378 Cb 0.20 -0.01 0.14 0.00 0.00 0.00 0.00 17.79 18.13 1r8u h ALA 378 CO 0.00 0.11 0.33 0.00 0.00 0.00 0.00 179.25 179.69 1r8u n SER 380 N -3.19 0.03 -3.44 0.00 3.41 -1.26 -5.00 113.62 104.16 1r8u n SER 380 Ca 0.11 -1.94 -0.28 0.00 -0.26 0.00 0.00 58.87 56.50 1r8u n SER 380 Cb 0.52 -0.19 -0.11 0.00 -0.26 0.00 0.00 64.21 64.17 1r8u n SER 380 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1r8u s LEU 381 N 0.00 1.19 0.35 1.04 2.96 -1.26 -5.06 118.68 117.91 1r8u s LEU 381 Ca 0.01 -2.55 0.16 0.00 -0.22 0.00 0.00 54.13 51.53 1r8u s LEU 381 Cb 0.01 -0.43 1.14 0.00 0.50 0.00 0.00 46.19 47.41 1r8u s LEU 381 CO -0.00 -0.25 1.66 -0.65 -1.32 0.00 0.00 176.35 175.78 1r8u h PRO 382 N 6.45 0.27 0.00 0.98 0.11 -2.04 -1.33 132.00 136.44 1r8u h PRO 382 Ca 0.14 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1r8u h PRO 382 Cb 0.94 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1r8u h PRO 382 CO 0.31 0.18 0.00 0.72 -0.21 0.00 0.00 178.00 179.00 1r8u n HIS 383 N -5.03 0.00 -0.28 0.65 8.25 -1.26 -2.55 115.22 115.00 1r8u n HIS 383 Ca 0.32 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.87 1r8u n HIS 383 Cb 1.04 -0.46 0.23 0.00 1.12 0.00 0.00 29.99 31.92 1r8u n HIS 383 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r8u h ARG 385 N 0.39 0.71 0.26 0.00 -0.00 -1.74 0.04 114.38 114.03 1r8u h ARG 385 Ca 0.47 -0.18 -0.01 0.00 -0.50 0.00 0.00 59.98 59.76 1r8u h ARG 385 Cb 0.81 -0.09 0.00 0.00 0.00 0.00 0.00 29.97 30.69 1r8u h ARG 385 CO -0.48 0.72 -0.12 1.15 0.00 0.00 0.00 179.97 181.24 1r8u h THR 386 N 0.67 0.76 -0.49 2.04 2.02 -1.48 -0.68 112.91 115.74 1r8u h THR 386 Ca 0.14 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.20 1r8u h THR 386 Cb 0.41 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1r8u h THR 386 CO 0.02 0.01 0.09 0.24 0.37 0.00 0.00 175.52 176.25 1r8u h MET 387 N -0.38 0.81 -0.85 6.66 2.86 -1.36 -2.28 114.93 120.39 1r8u h MET 387 Ca -0.04 -0.21 0.07 0.00 -2.06 0.00 0.00 59.70 57.47 1r8u h MET 387 Cb 0.29 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.79 1r8u h MET 387 CO 0.06 0.80 0.51 -0.22 1.06 0.00 0.00 176.91 179.13 1r8u h LYS 388 N 0.69 0.89 -0.45 1.72 3.64 -0.82 0.23 116.57 122.47 1r8u h LYS 388 Ca 0.15 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1r8u h LYS 388 Cb 0.38 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1r8u h LYS 388 CO 0.01 0.59 0.14 -0.91 -2.27 0.00 0.00 179.45 177.00 1r8u h ASN 389 N 0.91 0.66 -0.28 4.20 2.35 -1.04 -2.91 115.58 119.47 1r8u h ASN 389 Ca 0.38 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.86 1r8u h ASN 389 Cb 0.23 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1r8u h ASN 389 CO -0.20 0.69 -0.03 0.58 -1.65 0.00 0.00 177.43 176.83 1r8u h VAL 390 N 0.59 1.23 -0.14 2.81 2.07 -0.74 -3.03 116.25 119.04 1r8u h VAL 390 Ca 0.14 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1r8u h VAL 390 Cb 0.27 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1r8u h VAL 390 CO -0.00 0.32 0.06 -0.07 0.02 0.00 0.00 177.57 177.90 1r8u h LEU 391 N 0.60 0.19 -2.11 2.57 3.38 -0.41 0.63 115.31 120.16 1r8u h LEU 391 Ca 0.12 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1r8u h LEU 391 Cb 0.42 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1r8u h LEU 391 CO 0.02 0.28 0.11 0.78 0.09 0.00 0.00 178.44 179.72 1r8u h ASN 392 N 0.09 0.00 0.00 -0.43 2.35 -1.47 -1.75 115.58 114.37 1r8u h ASN 392 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1r8u h ASN 392 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1r8u h ASN 392 CO -0.00 0.00 -0.02 -0.74 -1.65 0.00 0.00 177.43 175.01 1r8u h HIS 393 N 0.00 0.00 0.00 1.19 2.76 -1.33 -3.40 115.15 114.38 1r8u h HIS 393 Ca 0.06 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 1r8u h HIS 393 Cb 0.28 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.24 1r8u h HIS 393 CO 0.00 0.00 -0.05 0.00 -1.30 0.00 0.00 177.93 176.58 1r8u h MET 394 N -0.98 0.00 0.00 5.26 -0.00 -0.76 -0.18 114.93 118.27 1r8u h MET 394 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1r8u h MET 394 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.62 1r8u h MET 394 CO 0.00 0.05 0.00 0.25 -0.00 0.00 0.00 176.91 177.21 1r8u n THR 395 N -4.35 1.04 0.00 -0.10 -2.24 -0.67 -3.37 114.28 104.59 1r8u n THR 395 Ca -0.03 0.34 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 1r8u n THR 395 Cb 0.14 -1.23 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 1r8u n THR 395 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1r8u n HIS 396 N -1.94 0.00 -1.91 4.78 8.25 -0.83 -5.08 115.22 118.50 1r8u n HIS 396 Ca 0.02 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.12 1r8u n HIS 396 Cb 0.16 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.31 1r8u n HIS 396 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r8u n GLN 398 N -1.84 0.00 0.23 0.00 7.27 -1.26 -4.89 117.38 116.88 1r8u n GLN 398 Ca 0.13 -0.21 0.15 0.00 0.07 0.00 0.00 57.00 57.14 1r8u n GLN 398 Cb 0.50 -0.43 0.50 0.00 2.41 0.00 0.00 30.24 33.23 1r8u n GLN 398 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1r8u h ALA 399 N 0.00 1.00 0.00 1.69 0.00 -1.96 -3.47 119.26 116.52 1r8u h ALA 399 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r8u h ALA 399 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1r8u h ALA 399 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1r8u n GLY 400 N 0.41 1.16 0.38 0.00 0.00 -1.26 -0.94 105.19 104.94 1r8u n GLY 400 Ca 0.02 0.65 0.20 0.00 0.00 0.00 0.00 46.02 46.89 1r8u n GLY 400 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1r8u h LYS 401 N 0.00 0.00 -0.01 1.61 3.64 -1.96 -1.50 116.57 118.35 1r8u h LYS 401 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1r8u h LYS 401 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1r8u h LYS 401 CO 0.00 0.00 -0.54 0.00 -2.27 0.00 0.00 179.45 176.64 1r8u n ALA 402 N -2.43 3.69 -2.16 5.00 0.00 -0.12 -4.95 120.51 119.54 1r8u n ALA 402 Ca 0.07 -0.61 -0.43 0.00 0.00 0.00 0.00 53.44 52.48 1r8u n ALA 402 Cb 0.58 -0.74 -0.02 0.00 0.00 0.00 0.00 19.45 19.27 1r8u n ALA 402 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r8u h GLN 404 N 9.29 0.00 -6.14 0.00 3.07 -1.92 -3.38 115.11 116.02 1r8u h GLN 404 Ca -0.34 0.00 -0.59 0.00 0.09 0.00 0.00 58.65 57.81 1r8u h GLN 404 Cb 1.15 0.00 -0.10 0.00 0.08 0.00 0.00 27.48 28.61 1r8u h GLN 404 CO 0.97 0.00 1.40 0.08 0.09 0.00 0.00 178.83 181.37 1r8u s VAL 405 N -3.91 3.89 0.29 1.86 1.01 -1.26 -4.88 120.40 117.40 1r8u s VAL 405 Ca -0.02 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.45 1r8u s VAL 405 Cb 0.11 -5.03 0.29 0.00 0.00 0.00 0.00 36.38 31.75 1r8u s VAL 405 CO 0.45 -1.92 1.81 0.00 0.00 0.00 0.00 175.10 175.44 1r8u h ALA 406 N 9.83 1.56 -0.34 5.51 0.00 -1.98 -1.76 119.26 132.08 1r8u h ALA 406 Ca 0.10 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1r8u h ALA 406 Cb 1.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1r8u h ALA 406 CO 1.40 0.12 0.09 0.45 0.00 0.00 0.00 179.25 181.31 1r8u h HIS 407 N 0.90 0.48 0.65 0.00 3.86 -1.95 -1.79 115.15 117.30 1r8u h HIS 407 Ca 0.52 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.68 1r8u h HIS 407 Cb 0.64 -0.15 0.01 0.00 1.06 0.00 0.00 27.41 28.96 1r8u h HIS 407 CO -0.01 0.42 -0.31 0.00 0.86 0.00 0.00 177.93 178.89 1r8u h ALA 409 N -1.09 1.85 0.39 0.00 0.00 -1.48 -0.66 119.26 118.27 1r8u h ALA 409 Ca -0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1r8u h ALA 409 Cb 0.69 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1r8u h ALA 409 CO 0.15 0.04 -0.19 1.03 0.00 0.00 0.00 179.25 180.28 1r8u h SER 410 N 0.54 -0.45 -1.01 0.00 0.87 -1.31 -3.15 113.55 109.05 1r8u h SER 410 Ca 0.26 0.02 0.11 0.00 -1.23 0.00 0.00 61.79 60.95 1r8u h SER 410 Cb 0.32 0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 62.31 1r8u h SER 410 CO -0.08 -0.24 0.64 0.77 -0.53 0.00 0.00 176.83 177.39 1r8u h SER 411 N -0.68 0.95 -0.22 6.23 4.64 -0.97 -1.63 113.55 121.87 1r8u h SER 411 Ca -0.05 0.04 0.04 0.00 -0.47 0.00 0.00 61.79 61.34 1r8u h SER 411 Cb 0.40 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1r8u h SER 411 CO 0.09 0.52 0.15 -0.09 -0.87 0.00 0.00 176.83 176.63 1r8u h ARG 412 N 1.03 0.13 0.09 4.77 9.65 -1.22 -3.01 114.38 125.82 1r8u h ARG 412 Ca 0.49 -0.01 -0.33 0.00 -1.10 0.00 0.00 59.98 59.03 1r8u h ARG 412 Cb 0.44 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.97 1r8u h ARG 412 CO -0.25 0.09 -1.80 0.37 2.80 0.00 0.00 179.97 181.18 1r8u h GLN 413 N 0.14 0.20 -0.30 0.20 5.75 -1.26 -3.40 115.11 116.44 1r8u h GLN 413 Ca 0.10 -0.34 0.06 0.00 -0.15 0.00 0.00 58.65 58.32 1r8u h GLN 413 Cb 0.21 0.13 -0.07 0.00 1.07 0.00 0.00 27.48 28.82 1r8u h GLN 413 CO -0.01 1.01 -0.13 0.82 -2.65 0.00 0.00 178.83 177.86 1r8u h ILE 414 N 0.05 0.58 -0.32 2.39 1.08 -1.30 -2.43 117.51 117.56 1r8u h ILE 414 Ca -0.34 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.04 1r8u h ILE 414 Cb 2.03 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 36.34 1r8u h ILE 414 CO 0.11 0.00 -0.16 0.16 -0.69 0.00 0.00 178.15 177.57 1r8u h ILE 415 N -0.08 1.25 -0.93 -0.67 -2.65 -1.80 -2.13 117.51 110.49 1r8u h ILE 415 Ca 0.15 -1.14 -0.01 0.00 1.03 0.00 0.00 64.86 64.90 1r8u h ILE 415 Cb 0.32 1.17 -0.04 0.00 -2.05 0.00 0.00 36.82 36.21 1r8u h ILE 415 CO -0.35 0.37 0.55 0.28 0.03 0.00 0.00 178.15 179.03 1r8u h SER 416 N 0.53 1.13 0.57 2.16 0.02 -1.66 -0.43 113.55 115.87 1r8u h SER 416 Ca 0.09 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1r8u h SER 416 Cb 0.57 -0.29 0.01 0.00 0.14 0.00 0.00 62.40 62.83 1r8u h SER 416 CO 0.04 0.87 -0.28 -0.74 -1.14 0.00 0.00 176.83 175.59 1r8u h HIS 417 N 1.29 -0.71 -0.31 3.45 -0.00 -1.27 -3.24 115.15 114.35 1r8u h HIS 417 Ca 0.33 -0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.75 1r8u h HIS 417 Cb -0.04 0.24 -0.07 0.00 -0.00 0.00 0.00 27.41 27.55 1r8u h HIS 417 CO 0.01 -0.38 -0.11 2.35 -0.00 0.00 0.00 177.93 179.79 1r8u h TRP 418 N -1.01 -0.27 -0.85 5.26 7.01 -1.12 -1.39 115.95 123.58 1r8u h TRP 418 Ca -0.08 0.03 0.12 0.00 2.11 0.00 0.00 58.89 61.07 1r8u h TRP 418 Cb 0.65 0.17 -0.06 0.00 -2.10 0.00 0.00 29.16 27.82 1r8u h TRP 418 CO 0.00 -0.18 0.55 0.87 -2.79 0.00 0.00 178.44 176.89 1r8u h LYS 419 N -0.05 0.72 0.19 2.65 1.57 -1.20 -2.53 116.57 117.91 1r8u h LYS 419 Ca 0.16 -0.04 -0.31 0.00 -1.87 0.00 0.00 60.65 58.58 1r8u h LYS 419 Cb 0.29 -0.16 0.02 0.00 0.08 0.00 0.00 32.23 32.46 1r8u h LYS 419 CO -0.35 0.47 -1.41 -0.91 -0.57 0.00 0.00 179.45 176.68 1r8u h ASN 420 N 0.74 0.61 1.23 0.86 2.35 -1.47 -3.38 115.58 116.52 1r8u h ASN 420 Ca 0.41 -0.69 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 1r8u h ASN 420 Cb 0.56 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1r8u h ASN 420 CO -0.17 1.55 0.00 0.00 -1.65 0.00 0.00 177.43 177.15 1r8u h THR 422 N 0.00 0.11 0.00 0.00 1.35 -1.67 -1.86 112.91 110.83 1r8u h THR 422 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1r8u h THR 422 Cb 0.61 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.16 1r8u h THR 422 CO 0.00 0.00 0.00 -0.09 -0.25 0.00 0.00 175.52 175.18 1r8u h ARG 423 N 0.00 0.00 -4.70 4.72 2.43 -1.92 -3.45 114.38 111.46 1r8u h ARG 423 Ca 0.69 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 59.58 1r8u h ARG 423 Cb 3.05 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 32.46 1r8u h ARG 423 CO -0.01 0.00 -0.63 -1.01 -1.51 0.00 0.00 179.97 176.81 1r8u s HIS 424 N -3.82 1.23 0.34 2.20 3.76 -0.70 -5.16 115.29 113.15 1r8u s HIS 424 Ca -0.01 -1.21 -0.27 0.00 -0.15 0.00 0.00 55.06 53.42 1r8u s HIS 424 Cb 0.10 -0.68 -0.09 0.00 1.11 0.00 0.00 32.58 33.02 1r8u s HIS 424 CO 0.45 -0.43 1.11 0.16 -0.85 0.00 0.00 174.74 175.19 1r8u s ASP 425 N -3.19 6.92 -0.15 1.40 -4.77 -1.26 -4.81 116.67 110.81 1r8u s ASP 425 Ca 0.32 2.24 -0.28 0.00 -3.30 0.00 0.00 52.55 51.53 1r8u s ASP 425 Cb 0.07 -2.61 0.08 0.00 -1.09 0.00 0.00 42.92 39.37 1r8u s ASP 425 CO 0.09 -0.39 0.74 0.00 0.70 0.00 0.00 175.17 176.31 1r8u h PRO 427 N 3.74 0.00 0.00 0.00 0.11 -2.00 0.26 132.00 134.12 1r8u h PRO 427 Ca -0.27 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.56 1r8u h PRO 427 Cb 1.15 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 1r8u h PRO 427 CO 0.25 0.00 -1.73 0.28 -0.21 0.00 0.00 178.00 176.59 1r8u n VAL 428 N -3.09 1.52 -0.07 3.15 0.31 -1.26 -4.53 118.33 114.36 1r8u n VAL 428 Ca 0.04 -0.14 -0.15 0.00 -0.01 0.00 0.00 64.34 64.07 1r8u n VAL 428 Cb 0.67 -2.05 -0.05 0.00 -0.91 0.00 0.00 33.84 31.50 1r8u n VAL 428 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r8u h LEU 430 N 0.57 -0.68 -1.01 0.00 5.85 -1.22 -1.08 115.31 117.73 1r8u h LEU 430 Ca 0.00 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1r8u h LEU 430 Cb 1.17 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.36 1r8u h LEU 430 CO 0.12 -0.46 0.18 1.55 -0.34 0.00 0.00 178.44 179.50 1r8u h PRO 431 N -0.74 0.89 -0.52 5.25 0.13 -1.78 -0.76 132.00 134.48 1r8u h PRO 431 Ca -0.06 -0.17 -0.07 0.00 -0.87 0.00 0.00 66.00 64.83 1r8u h PRO 431 Cb 0.58 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.55 1r8u h PRO 431 CO 0.09 0.77 0.07 1.25 -0.23 0.00 0.00 178.00 179.95 1r8u h LEU 432 N 0.86 0.84 -0.55 1.56 5.85 -1.60 0.78 115.31 123.06 1r8u h LEU 432 Ca 0.19 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1r8u h LEU 432 Cb 0.26 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1r8u h LEU 432 CO -0.01 0.90 0.13 0.50 -0.34 0.00 0.00 178.44 179.62 1r8u h LYS 433 N 0.75 0.88 -0.40 1.25 3.64 -0.96 -2.50 116.57 119.23 1r8u h LYS 433 Ca 0.16 -0.21 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 1r8u h LYS 433 Cb 0.42 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1r8u h LYS 433 CO 0.01 0.83 -0.15 -0.91 -2.27 0.00 0.00 179.45 176.96 1r8u h ASN 434 N 0.77 0.83 0.09 4.20 2.35 -1.00 -3.04 115.58 119.79 1r8u h ASN 434 Ca 0.17 -0.39 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 1r8u h ASN 434 Cb 0.35 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 1r8u h ASN 434 CO 0.00 1.03 -0.06 0.00 -1.65 0.00 0.00 177.43 176.75 1r8u h ALA 435 N 0.83 1.72 0.00 -0.83 0.00 -0.77 -2.84 119.26 117.37 1r8u h ALA 435 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1r8u h ALA 435 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1r8u h ALA 435 CO 0.05 0.08 0.01 0.43 0.00 0.00 0.00 179.25 179.82 1r8u n SER 436 N -4.21 0.26 0.28 0.00 7.64 -0.95 -1.98 113.62 114.66 1r8u n SER 436 Ca -0.03 0.62 0.17 0.00 1.01 0.00 0.00 58.87 60.63 1r8u n SER 436 Cb 0.15 -0.65 0.79 0.00 -1.01 0.00 0.00 64.21 63.49 1r8u n SER 436 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1r8u h ASP 437 N 0.00 0.00 0.00 6.43 3.58 -1.68 -3.35 116.42 121.40 1r8u h ASP 437 Ca 0.00 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.31 1r8u h ASP 437 Cb 0.02 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.02 1r8u h ASP 437 CO 0.00 0.06 -0.22 0.29 -2.88 0.00 0.00 179.24 176.48 1r8u n LYS 438 N -3.26 1.60 0.00 0.28 4.76 -0.84 -5.22 118.16 115.48 1r8u n LYS 438 Ca -0.01 -0.76 0.00 0.00 -2.87 0.00 0.00 58.31 54.67 1r8u n LYS 438 Cb 0.25 -1.84 0.00 0.00 -1.84 0.00 0.00 35.03 31.60 1r8u n LYS 438 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57