#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngr s ASN 335 N 0.00 6.37 1.41 1.61 -0.87 -1.26 -4.87 114.94 117.33 1ngr s ASN 335 Ca 0.00 1.43 -0.22 0.00 -1.57 0.00 0.00 52.86 52.50 1ngr s ASN 335 Cb 0.00 -2.47 0.36 0.00 -0.02 0.00 0.00 41.25 39.13 1ngr s ASN 335 CO 0.00 -0.75 0.93 -0.76 -2.57 0.00 0.00 177.10 173.95 1ngr s LEU 336 N -4.76 -1.00 -0.19 0.60 2.01 -1.26 -1.04 118.68 113.04 1ngr s LEU 336 Ca 0.56 0.93 -0.18 0.00 0.01 0.00 0.00 54.13 55.45 1ngr s LEU 336 Cb -0.11 -2.39 -0.20 0.00 0.01 0.00 0.00 46.19 43.50 1ngr s LEU 336 CO 0.45 -5.32 0.23 0.00 1.01 0.00 0.00 176.35 172.72 1ngr n TYR 337 N -5.61 1.04 0.00 0.29 4.19 -0.70 -3.30 117.16 113.06 1ngr n TYR 337 Ca 0.11 0.39 0.00 0.00 3.31 0.00 0.00 57.90 61.71 1ngr n TYR 337 Cb 0.59 -1.11 0.00 0.00 0.49 0.00 0.00 39.34 39.31 1ngr n TYR 337 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64 1ngr n SER 338 N -4.21 0.00 -0.36 2.98 3.41 -1.26 -3.14 113.62 111.03 1ngr n SER 338 Ca -0.33 0.38 -0.01 0.00 -0.26 0.00 0.00 58.87 58.65 1ngr n SER 338 Cb 0.77 -0.38 0.13 0.00 -0.26 0.00 0.00 64.21 64.47 1ngr n SER 338 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1ngr h SER 339 N 0.00 1.08 -1.98 4.04 0.87 -1.91 -3.31 113.55 112.34 1ngr h SER 339 Ca 0.00 -0.02 -0.54 0.00 -1.23 0.00 0.00 61.79 60.00 1ngr h SER 339 Cb 0.01 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.71 1ngr h SER 339 CO 0.00 0.75 1.49 -0.76 -0.53 0.00 0.00 176.83 177.79 1ngr s LEU 340 N -10.14 3.43 0.00 2.23 1.43 -1.19 -4.91 118.68 109.53 1ngr s LEU 340 Ca -0.13 1.45 0.27 0.00 -1.03 0.00 0.00 54.13 54.69 1ngr s LEU 340 Cb 0.18 -3.14 1.27 0.00 0.03 0.00 0.00 46.19 44.53 1ngr s LEU 340 CO 0.81 -2.23 1.86 -0.81 0.23 0.00 0.00 176.35 176.21 1ngr n PRO 341 N 8.82 1.37 -4.51 1.29 -0.04 -1.25 -4.80 135.00 135.89 1ngr n PRO 341 Ca 0.30 -0.55 -0.24 0.00 -0.04 0.00 0.00 63.50 62.97 1ngr n PRO 341 Cb 0.49 -1.44 -0.11 0.00 -0.04 0.00 0.00 33.50 32.40 1ngr n PRO 341 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1ngr s LEU 342 N -1.87 2.50 0.15 1.53 1.98 -1.26 -5.03 118.68 116.68 1ngr s LEU 342 Ca 0.39 -1.33 0.04 0.00 -2.89 0.00 0.00 54.13 50.34 1ngr s LEU 342 Cb 0.20 -0.64 0.23 0.00 0.66 0.00 0.00 46.19 46.64 1ngr s LEU 342 CO 0.32 -0.48 0.91 0.41 -1.89 0.00 0.00 176.35 175.61 1ngr n THR 343 N -0.77 0.65 -0.31 3.68 -1.04 -1.26 -0.86 114.28 114.37 1ngr n THR 343 Ca -0.04 0.61 0.14 0.00 -2.04 0.00 0.00 64.05 62.72 1ngr n THR 343 Cb 0.66 -1.61 0.38 0.00 -1.82 0.00 0.00 70.33 67.93 1ngr n THR 343 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1ngr h LYS 344 N 0.00 0.66 -0.26 -2.82 1.63 -1.96 0.85 116.57 114.68 1ngr h LYS 344 Ca 0.00 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.75 1ngr h LYS 344 Cb 0.71 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.18 1ngr h LYS 344 CO 0.00 0.44 0.11 0.00 -3.45 0.00 0.00 179.45 176.55 1ngr h ARG 345 N 0.68 0.35 -0.28 1.90 2.47 -1.31 -2.03 114.38 116.17 1ngr h ARG 345 Ca 0.51 -0.04 -0.17 0.00 -1.26 0.00 0.00 59.98 59.03 1ngr h ARG 345 Cb 0.89 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 29.14 1ngr h ARG 345 CO -0.28 0.29 -0.49 0.93 0.56 0.00 0.00 179.97 180.98 1ngr h GLU 346 N 0.36 0.76 0.00 0.04 5.08 -1.17 -0.46 114.58 119.18 1ngr h GLU 346 Ca 0.09 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1ngr h GLU 346 Cb 0.06 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1ngr h GLU 346 CO -0.01 1.07 0.11 1.49 -1.00 0.00 0.00 179.01 180.67 1ngr h GLU 347 N 0.60 0.00 0.00 2.33 4.81 -0.68 0.01 114.58 121.65 1ngr h GLU 347 Ca 0.03 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.07 1ngr h GLU 347 Cb 1.06 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 1ngr h GLU 347 CO 0.10 0.00 -0.91 0.28 -0.73 0.00 0.00 179.01 177.75 1ngr h VAL 348 N 0.00 1.58 -0.26 0.32 2.07 -0.35 -2.95 116.25 116.66 1ngr h VAL 348 Ca 0.00 -3.21 0.05 0.00 0.82 0.00 0.00 66.70 64.36 1ngr h VAL 348 Cb 0.22 2.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.74 1ngr h VAL 348 CO 0.00 0.89 0.18 -0.33 0.02 0.00 0.00 177.57 178.34 1ngr h GLU 349 N 0.00 0.12 -0.41 1.57 5.08 -0.73 0.31 114.58 120.52 1ngr h GLU 349 Ca -0.01 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 1ngr h GLU 349 Cb 1.69 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.90 1ngr h GLU 349 CO 0.12 0.08 -0.20 -0.22 -1.00 0.00 0.00 179.01 177.79 1ngr h LYS 350 N 0.13 0.86 0.00 2.33 3.64 -1.46 -3.38 116.57 118.68 1ngr h LYS 350 Ca 0.12 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1ngr h LYS 350 Cb 0.31 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1ngr h LYS 350 CO -0.02 1.02 -0.08 -0.07 -2.27 0.00 0.00 179.45 178.04 1ngr h LEU 351 N 0.67 0.00 -5.49 5.20 3.38 -0.86 -3.38 115.31 114.83 1ngr h LEU 351 Ca 0.09 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.59 1ngr h LEU 351 Cb 0.76 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.54 1ngr h LEU 351 CO 0.06 0.48 2.83 0.18 0.09 0.00 0.00 178.44 182.08 1ngr n LEU 352 N -4.41 5.64 -4.56 1.67 4.77 0.90 -4.90 117.00 116.10 1ngr n LEU 352 Ca -0.01 -3.22 -0.31 0.00 -0.03 0.00 0.00 56.01 52.44 1ngr n LEU 352 Cb 0.04 -1.21 0.17 0.00 -2.33 0.00 0.00 43.42 40.09 1ngr n LEU 352 CO 0.02 0.80 0.39 -0.46 -1.33 0.00 0.00 177.39 176.81 1ngr n ASN 353 N 4.53 -0.70 -3.56 -1.43 0.23 -1.26 -4.36 115.26 108.71 1ngr n ASN 353 Ca 0.52 0.30 -0.40 0.00 -0.53 0.00 0.00 54.58 54.46 1ngr n ASN 353 Cb 0.19 -1.35 -0.05 0.00 -2.08 0.00 0.00 39.78 36.49 1ngr n ASN 353 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ngr n GLY 354 N 0.78 2.69 0.00 4.83 0.00 -1.26 -2.26 105.19 109.97 1ngr n GLY 354 Ca 0.09 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1ngr n GLY 354 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ngr n ASP 355 N 6.98 0.00 0.16 1.61 2.03 -1.26 -4.98 116.55 121.08 1ngr n ASP 355 Ca 0.49 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.81 1ngr n ASP 355 Cb 0.36 0.00 0.23 0.00 -0.72 0.00 0.00 41.12 41.00 1ngr n ASP 355 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1ngr h THR 356 N 0.00 1.25 -0.40 5.18 2.02 -1.82 -1.98 112.91 117.16 1ngr h THR 356 Ca 0.00 -1.89 0.08 0.00 0.77 0.00 0.00 66.41 65.38 1ngr h THR 356 Cb 0.00 2.05 -0.08 0.00 -1.74 0.00 0.00 68.15 68.38 1ngr h THR 356 CO 0.00 0.52 -0.11 4.11 0.37 0.00 0.00 175.52 180.40 1ngr h TRP 357 N 0.00 -0.25 -0.82 3.16 5.08 -1.65 -0.67 115.95 120.80 1ngr h TRP 357 Ca -0.01 0.04 0.10 0.00 1.08 0.00 0.00 58.89 60.11 1ngr h TRP 357 Cb 1.01 0.17 -0.12 0.00 -3.00 0.00 0.00 29.16 27.22 1ngr h TRP 357 CO 0.00 -0.19 -0.48 0.00 -1.28 0.00 0.00 178.44 176.49 1ngr h ARG 358 N -0.02 -0.10 -0.29 0.12 3.08 -1.64 0.33 114.38 115.87 1ngr h ARG 358 Ca 0.20 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.31 1ngr h ARG 358 Cb 0.31 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.33 1ngr h ARG 358 CO -0.42 -0.07 -0.05 0.45 -1.07 0.00 0.00 179.97 178.81 1ngr h HIS 359 N -0.10 -0.11 -0.37 3.04 3.86 -1.43 -2.16 115.15 117.87 1ngr h HIS 359 Ca 0.21 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1ngr h HIS 359 Cb 0.53 0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.07 1ngr h HIS 359 CO -0.86 -0.10 0.24 1.25 0.86 0.00 0.00 177.93 179.32 1ngr h LEU 360 N 0.03 0.42 -0.50 2.43 5.85 -0.63 -2.76 115.31 120.14 1ngr h LEU 360 Ca 0.14 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.94 1ngr h LEU 360 Cb 0.21 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.04 1ngr h LEU 360 CO -0.28 0.32 -0.02 0.00 -0.34 0.00 0.00 178.44 178.11 1ngr h ALA 361 N 1.13 0.45 -0.21 1.25 0.00 0.27 0.97 119.26 123.12 1ngr h ALA 361 Ca 0.13 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1ngr h ALA 361 Cb -0.05 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1ngr h ALA 361 CO -0.03 -0.40 0.10 0.78 0.00 0.00 0.00 179.25 179.70 1ngr h GLY 362 N 0.09 0.32 2.00 0.00 0.00 -1.42 -2.63 103.07 101.43 1ngr h GLY 362 Ca 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1ngr h GLY 362 CO -0.44 0.15 0.00 0.83 0.00 0.00 0.00 176.54 177.08 1ngr h GLU 363 N 0.21 0.00 -0.96 4.80 4.39 -0.96 -1.91 114.58 120.14 1ngr h GLU 363 Ca 0.07 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.52 1ngr h GLU 363 Cb 0.11 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 28.61 1ngr h GLU 363 CO -0.01 0.00 0.32 1.28 -1.16 0.00 0.00 179.01 179.44 1ngr n LEU 364 N -2.52 4.91 -3.87 1.33 4.77 0.23 -4.92 117.00 116.93 1ngr n LEU 364 Ca -0.00 -2.57 -0.30 0.00 -0.03 0.00 0.00 56.01 53.10 1ngr n LEU 364 Cb 0.13 -0.68 0.01 0.00 -2.33 0.00 0.00 43.42 40.56 1ngr n LEU 364 CO 0.17 0.76 0.07 0.61 -1.33 0.00 0.00 177.39 177.66 1ngr n GLY 365 N -0.32 -0.49 3.42 -0.72 0.00 -0.72 -5.00 105.19 101.36 1ngr n GLY 365 Ca 0.31 0.17 -0.35 0.00 0.00 0.00 0.00 46.02 46.15 1ngr n GLY 365 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ngr s TYR 366 N -3.24 3.02 0.89 1.61 2.02 -1.16 -5.07 117.35 115.41 1ngr s TYR 366 Ca 0.64 -0.55 -0.14 0.00 -0.37 0.00 0.00 57.07 56.66 1ngr s TYR 366 Cb -0.33 -2.09 0.00 0.00 -0.40 0.00 0.00 41.96 39.15 1ngr s TYR 366 CO 0.79 -0.30 0.37 1.04 -1.57 0.00 0.00 175.55 175.88 1ngr n GLN 367 N 4.36 -0.11 0.23 -0.62 6.02 -1.26 -4.18 117.38 121.82 1ngr n GLN 367 Ca -0.17 0.01 0.07 0.00 -0.01 0.00 0.00 57.00 56.90 1ngr n GLN 367 Cb 0.52 -1.80 0.55 0.00 1.02 0.00 0.00 30.24 30.52 1ngr n GLN 367 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1ngr h PRO 368 N -1.20 0.00 -0.87 -1.09 0.13 -1.97 -0.77 132.00 126.22 1ngr h PRO 368 Ca -0.44 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.67 1ngr h PRO 368 Cb 1.30 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 1ngr h PRO 368 CO 0.36 0.20 0.48 0.93 -0.23 0.00 0.00 178.00 179.74 1ngr h GLU 369 N 0.00 1.22 -0.41 0.86 3.07 -1.99 -0.06 114.58 117.27 1ngr h GLU 369 Ca -0.00 -0.14 -0.15 0.00 -0.50 0.00 0.00 59.36 58.57 1ngr h GLU 369 Cb 0.41 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 1ngr h GLU 369 CO 0.03 0.89 -0.34 0.45 -1.40 0.00 0.00 179.01 178.64 1ngr h HIS 370 N 1.22 1.11 -1.00 4.33 3.86 -1.49 0.17 115.15 123.34 1ngr h HIS 370 Ca 0.31 -0.31 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1ngr h HIS 370 Cb 0.03 -0.24 -0.06 0.00 1.06 0.00 0.00 27.41 28.20 1ngr h HIS 370 CO 0.01 1.14 0.66 0.82 0.86 0.00 0.00 177.93 181.41 1ngr h ILE 371 N 0.78 1.19 -0.30 2.45 2.04 -0.94 -0.11 117.51 122.61 1ngr h ILE 371 Ca 0.07 -0.44 -0.17 0.00 1.00 0.00 0.00 64.86 65.32 1ngr h ILE 371 Cb 0.93 -0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1ngr h ILE 371 CO 0.09 0.23 -0.47 -0.78 0.00 0.00 0.00 178.15 177.22 1ngr h ASP 372 N 1.28 0.94 0.64 1.72 3.58 -0.77 -2.98 116.42 120.83 1ngr h ASP 372 Ca 0.39 -0.51 0.00 0.00 0.42 0.00 0.00 57.03 57.33 1ngr h ASP 372 Cb -0.03 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.75 1ngr h ASP 372 CO -0.12 1.27 0.00 -0.24 -2.88 0.00 0.00 179.24 177.28 1ngr n SER 373 N -4.07 0.35 0.00 2.28 2.88 0.03 -2.38 113.62 112.70 1ngr n SER 373 Ca -0.04 0.58 -0.07 0.00 -1.33 0.00 0.00 58.87 58.02 1ngr n SER 373 Cb 0.59 -0.66 -0.12 0.00 -0.75 0.00 0.00 64.21 63.27 1ngr n SER 373 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 1ngr h PHE 374 N 0.00 0.00 -0.00 0.66 0.04 -0.89 0.11 116.94 116.86 1ngr h PHE 374 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1ngr h PHE 374 Cb 0.32 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1ngr h PHE 374 CO 0.00 0.93 -0.10 -2.37 -0.60 0.00 0.00 178.31 176.16 1ngr n THR 375 N -3.08 0.00 -0.01 -1.55 5.66 -1.00 -2.34 114.28 111.96 1ngr n THR 375 Ca -0.12 -0.01 -0.19 0.00 -3.05 0.00 0.00 64.05 60.67 1ngr n THR 375 Cb 0.99 -0.31 -0.14 0.00 -1.55 0.00 0.00 70.33 69.32 1ngr n THR 375 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 1ngr n HIS 376 N -1.40 1.15 -0.49 1.09 8.25 -0.98 -4.83 115.22 118.02 1ngr n HIS 376 Ca 0.09 0.26 -0.28 0.00 -0.26 0.00 0.00 57.72 57.53 1ngr n HIS 376 Cb 0.32 -1.16 0.25 0.00 1.12 0.00 0.00 29.99 30.52 1ngr n HIS 376 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1ngr s GLU 377 N -2.56 -0.95 0.22 -0.41 2.02 0.34 -4.88 118.70 112.48 1ngr s GLU 377 Ca -0.21 0.93 -0.14 0.00 0.02 0.00 0.00 54.97 55.58 1ngr s GLU 377 Cb 0.07 -1.54 0.26 0.00 0.10 0.00 0.00 34.13 33.01 1ngr s GLU 377 CO 0.77 -3.77 1.61 0.00 0.02 0.00 0.00 175.26 173.89 1ngr h ALA 378 N -2.66 0.40 -2.67 5.21 0.00 -1.90 -3.37 119.26 114.26 1ngr h ALA 378 Ca -0.61 0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 1ngr h ALA 378 Cb 1.33 0.56 -0.20 0.00 0.00 0.00 0.00 17.79 19.49 1ngr h ALA 378 CO 0.49 -0.45 -0.44 0.00 0.00 0.00 0.00 179.25 178.85 1ngr n PRO 380 N 1.23 0.00 -0.50 0.00 -0.04 -0.99 -1.55 135.00 133.15 1ngr n PRO 380 Ca -0.22 0.13 0.41 0.00 -0.04 0.00 0.00 63.50 63.78 1ngr n PRO 380 Cb 0.56 -0.99 0.70 0.00 -0.04 0.00 0.00 33.50 33.73 1ngr n PRO 380 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ngr h VAL 381 N 0.00 0.09 0.62 0.52 2.07 -1.88 0.31 116.25 117.99 1ngr h VAL 381 Ca 0.00 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1ngr h VAL 381 Cb 0.00 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 29.81 1ngr h VAL 381 CO 0.00 0.01 -0.30 0.03 0.02 0.00 0.00 177.57 177.33 1ngr h ARG 382 N 0.05 -0.81 0.00 1.57 3.08 -1.90 -1.66 114.38 114.72 1ngr h ARG 382 Ca 0.84 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.95 1ngr h ARG 382 Cb 2.85 0.18 0.00 0.00 0.08 0.00 0.00 29.97 33.09 1ngr h ARG 382 CO -0.32 -0.54 0.00 0.00 -1.07 0.00 0.00 179.97 178.04 1ngr n ALA 383 N -2.62 1.98 -0.04 0.04 0.00 -0.45 -2.34 120.51 117.08 1ngr n ALA 383 Ca -0.10 -0.03 -0.15 0.00 0.00 0.00 0.00 53.44 53.16 1ngr n ALA 383 Cb 0.33 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 18.28 1ngr n ALA 383 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ngr h LEU 384 N 0.00 0.13 -0.17 0.00 5.85 -0.46 -0.81 115.31 119.85 1ngr h LEU 384 Ca 0.00 -0.81 0.00 0.00 0.84 0.00 0.00 57.88 57.91 1ngr h LEU 384 Cb 0.45 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1ngr h LEU 384 CO 0.00 0.92 0.00 -0.07 -0.34 0.00 0.00 178.44 178.95 1ngr h LEU 385 N -0.65 0.00 -0.03 2.25 3.38 -1.17 0.27 115.31 119.35 1ngr h LEU 385 Ca -0.02 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.73 1ngr h LEU 385 Cb 0.94 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.71 1ngr h LEU 385 CO 0.03 0.00 -0.83 0.00 0.09 0.00 0.00 178.44 177.73 1ngr h ALA 386 N 2.01 0.14 0.02 1.53 0.00 -1.51 -2.93 119.26 118.53 1ngr h ALA 386 Ca 0.00 -0.63 -0.23 0.00 0.00 0.00 0.00 54.91 54.05 1ngr h ALA 386 Cb 0.94 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1ngr h ALA 386 CO 0.00 0.56 -1.25 0.77 0.00 0.00 0.00 179.25 179.33 1ngr h SER 387 N 0.25 0.05 -0.89 0.00 0.02 -0.96 -3.10 113.55 108.92 1ngr h SER 387 Ca -0.09 -0.59 0.03 0.00 -0.84 0.00 0.00 61.79 60.29 1ngr h SER 387 Cb 1.49 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.97 1ngr h SER 387 CO 0.16 1.50 0.58 -0.25 -1.14 0.00 0.00 176.83 177.68 1ngr h TRP 388 N -0.87 1.09 0.00 3.45 7.01 -0.66 -1.54 115.95 124.43 1ngr h TRP 388 Ca -0.33 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.70 1ngr h TRP 388 Cb 1.37 -0.37 0.00 0.00 -2.10 0.00 0.00 29.16 28.07 1ngr h TRP 388 CO 0.11 0.65 0.00 0.41 -2.79 0.00 0.00 178.44 176.82 1ngr n GLY 389 N -1.34 0.03 0.13 2.65 0.00 -1.11 -0.94 105.19 104.61 1ngr n GLY 389 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.18 1ngr n GLY 389 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngr n ALA 390 N -0.21 3.06 -2.25 4.61 0.00 -0.58 -4.62 120.51 120.52 1ngr n ALA 390 Ca 0.00 -0.37 -0.27 0.00 0.00 0.00 0.00 53.44 52.81 1ngr n ALA 390 Cb 0.06 -0.37 0.01 0.00 0.00 0.00 0.00 19.45 19.15 1ngr n ALA 390 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ngr s GLN 391 N -1.65 3.33 0.10 0.00 -0.21 -0.12 -5.01 119.66 116.10 1ngr s GLN 391 Ca 0.06 0.04 -0.30 0.00 0.02 0.00 0.00 55.36 55.19 1ngr s GLN 391 Cb 0.08 -2.38 -0.11 0.00 1.00 0.00 0.00 33.01 31.59 1ngr s GLN 391 CO 0.33 -0.32 1.48 0.22 -2.12 0.00 0.00 175.29 174.88 1ngr h ASP 392 N 0.17 -1.51 -0.65 5.90 3.58 -1.97 -2.93 116.42 119.00 1ngr h ASP 392 Ca -0.47 0.18 -0.48 0.00 0.42 0.00 0.00 57.03 56.69 1ngr h ASP 392 Cb 1.22 0.59 -0.37 0.00 1.72 0.00 0.00 39.33 42.50 1ngr h ASP 392 CO 0.61 -0.42 -0.72 -1.54 -2.88 0.00 0.00 179.24 174.29 1ngr n SER 393 N -5.06 4.56 -2.47 2.28 3.41 -1.26 -4.88 113.62 110.19 1ngr n SER 393 Ca -0.05 -3.77 -0.13 0.00 -0.26 0.00 0.00 58.87 54.66 1ngr n SER 393 Cb 0.33 -0.39 -0.08 0.00 -0.26 0.00 0.00 64.21 63.81 1ngr n SER 393 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ngr n ALA 394 N -0.78 4.66 -2.10 7.33 0.00 -1.11 -4.68 120.51 123.83 1ngr n ALA 394 Ca 0.41 -1.48 -0.28 0.00 0.00 0.00 0.00 53.44 52.09 1ngr n ALA 394 Cb 0.93 -2.52 0.02 0.00 0.00 0.00 0.00 19.45 17.88 1ngr n ALA 394 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ngr s THR 395 N 2.15 4.18 0.24 0.00 -4.23 -1.26 -1.73 115.64 114.99 1ngr s THR 395 Ca 0.43 0.21 -0.06 0.00 -1.18 0.00 0.00 61.69 61.10 1ngr s THR 395 Cb 0.18 -3.64 0.22 0.00 1.34 0.00 0.00 72.50 70.60 1ngr s THR 395 CO -0.01 -0.69 1.87 0.25 -0.54 0.00 0.00 174.62 175.50 1ngr h LEU 396 N -0.10 0.91 -1.03 4.79 7.12 -1.22 -0.72 115.31 125.05 1ngr h LEU 396 Ca -0.46 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.56 1ngr h LEU 396 Cb 1.23 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.17 1ngr h LEU 396 CO 0.61 0.61 0.00 -2.24 -0.13 0.00 0.00 178.44 177.29 1ngr h ASP 397 N 1.06 0.00 0.00 1.25 2.03 -1.93 -0.46 116.42 118.37 1ngr h ASP 397 Ca 0.37 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.67 1ngr h ASP 397 Cb 0.09 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 1ngr h ASP 397 CO -0.14 0.00 -0.01 0.00 -1.03 0.00 0.00 179.24 178.05 1ngr h ALA 398 N 2.17 -0.00 -0.68 4.15 0.00 -1.42 -2.73 119.26 120.75 1ngr h ALA 398 Ca 0.00 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 1ngr h ALA 398 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1ngr h ALA 398 CO 0.00 -0.03 0.17 1.25 0.00 0.00 0.00 179.25 180.64 1ngr h LEU 399 N -0.92 1.02 -1.09 0.00 6.46 -1.14 -1.71 115.31 117.93 1ngr h LEU 399 Ca -0.00 -0.23 0.03 0.00 -0.12 0.00 0.00 57.88 57.56 1ngr h LEU 399 Cb 0.94 -0.27 -0.05 0.00 -0.73 0.00 0.00 40.66 40.54 1ngr h LEU 399 CO 0.00 0.99 0.61 0.25 -0.62 0.00 0.00 178.44 179.68 1ngr h LEU 400 N 1.01 1.02 -0.12 2.25 6.46 -1.22 -0.16 115.31 124.54 1ngr h LEU 400 Ca 0.21 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.92 1ngr h LEU 400 Cb 0.36 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.06 1ngr h LEU 400 CO 0.00 0.70 -0.09 0.00 -0.62 0.00 0.00 178.44 178.44 1ngr h ALA 401 N 1.45 0.17 -0.93 1.25 0.00 -1.04 -0.24 119.26 119.93 1ngr h ALA 401 Ca 0.37 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ngr h ALA 401 Cb 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1ngr h ALA 401 CO -0.11 -0.01 0.56 0.00 0.00 0.00 0.00 179.25 179.69 1ngr h ALA 402 N 0.62 1.19 -0.14 0.00 0.00 -1.10 0.47 119.26 120.30 1ngr h ALA 402 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ngr h ALA 402 Cb 0.58 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ngr h ALA 402 CO 0.02 0.64 0.08 -0.07 0.00 0.00 0.00 179.25 179.93 1ngr h LEU 403 N 1.28 0.14 -1.17 0.00 3.38 -0.97 -2.23 115.31 115.74 1ngr h LEU 403 Ca 0.33 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.22 1ngr h LEU 403 Cb -0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1ngr h LEU 403 CO -0.06 0.10 -0.40 -0.09 0.09 0.00 0.00 178.44 178.08 1ngr h ARG 404 N 0.17 0.00 -1.00 1.13 2.43 -0.56 -0.64 114.38 115.91 1ngr h ARG 404 Ca 0.05 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.25 1ngr h ARG 404 Cb -0.01 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.49 1ngr h ARG 404 CO -0.02 0.40 0.66 -0.09 -1.51 0.00 0.00 179.97 179.41 1ngr h ARG 405 N 0.00 1.27 -0.85 0.20 2.43 -0.74 -1.67 114.38 115.02 1ngr h ARG 405 Ca -0.00 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1ngr h ARG 405 Cb 0.75 -0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1ngr h ARG 405 CO 0.05 0.84 0.04 0.44 -1.51 0.00 0.00 179.97 179.84 1ngr n ILE 406 N -4.42 1.28 -1.05 1.20 -5.35 -0.67 -4.89 119.36 105.47 1ngr n ILE 406 Ca 0.13 -0.62 -0.04 0.00 -0.27 0.00 0.00 62.75 61.94 1ngr n ILE 406 Cb 0.06 -0.46 -0.02 0.00 -1.74 0.00 0.00 39.64 37.48 1ngr n ILE 406 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ngr n GLN 407 N 0.20 -1.17 -1.14 6.28 10.64 -0.63 -4.83 117.38 126.72 1ngr n GLN 407 Ca 0.14 0.25 -0.23 0.00 -1.83 0.00 0.00 57.00 55.33 1ngr n GLN 407 Cb 0.70 -4.23 -0.11 0.00 -0.86 0.00 0.00 30.24 25.74 1ngr n GLN 407 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1ngr n ARG 408 N -1.16 2.67 0.28 2.61 5.12 -0.34 -4.54 116.66 121.30 1ngr n ARG 408 Ca -0.04 -1.50 0.17 0.00 -1.93 0.00 0.00 57.85 54.54 1ngr n ARG 408 Cb 0.14 -2.30 0.70 0.00 -1.16 0.00 0.00 32.46 29.84 1ngr n ARG 408 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1ngr h ALA 409 N 3.74 1.01 -0.46 7.54 0.00 -1.88 -2.64 119.26 126.57 1ngr h ALA 409 Ca 0.45 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.43 1ngr h ALA 409 Cb 1.03 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 1ngr h ALA 409 CO 0.83 0.04 -0.02 0.38 0.00 0.00 0.00 179.25 180.47 1ngr h ASP 410 N 0.00 -0.24 -0.28 0.00 2.03 -1.96 -0.22 116.42 115.76 1ngr h ASP 410 Ca -0.00 0.12 -0.15 0.00 -0.73 0.00 0.00 57.03 56.27 1ngr h ASP 410 Cb 0.50 0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 39.20 1ngr h ASP 410 CO 0.00 -0.08 -0.36 0.40 -1.03 0.00 0.00 179.24 178.17 1ngr h ILE 411 N 0.09 1.28 0.30 4.15 2.04 -1.82 -3.01 117.51 120.54 1ngr h ILE 411 Ca 0.23 -1.53 -0.01 0.00 1.00 0.00 0.00 64.86 64.54 1ngr h ILE 411 Cb 0.34 1.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1ngr h ILE 411 CO -0.40 0.51 -0.14 0.58 0.00 0.00 0.00 178.15 178.69 1ngr h VAL 412 N 0.68 0.72 0.00 1.67 2.07 -1.33 0.33 116.25 120.38 1ngr h VAL 412 Ca 0.06 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1ngr h VAL 412 Cb 0.92 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1ngr h VAL 412 CO 0.08 0.03 -0.09 -0.33 0.02 0.00 0.00 177.57 177.28 1ngr h GLU 413 N -0.48 0.00 -0.18 1.57 3.07 -1.11 0.21 114.58 117.67 1ngr h GLU 413 Ca -0.04 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.76 1ngr h GLU 413 Cb 0.36 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1ngr h GLU 413 CO 0.07 0.09 -0.11 1.03 -1.40 0.00 0.00 179.01 178.69 1ngr h SER 414 N 0.00 0.40 -0.94 1.42 0.87 -1.38 -3.12 113.55 110.80 1ngr h SER 414 Ca -0.00 -0.43 0.15 0.00 -1.23 0.00 0.00 61.79 60.28 1ngr h SER 414 Cb 0.17 -0.11 -0.08 0.00 -0.44 0.00 0.00 62.40 61.94 1ngr h SER 414 CO 0.01 0.74 0.60 -0.07 -0.53 0.00 0.00 176.83 177.58 1ngr h LEU 415 N 0.05 0.72 -1.13 2.23 3.38 0.34 0.54 115.31 121.45 1ngr h LEU 415 Ca 0.04 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.17 1ngr h LEU 415 Cb 0.60 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 1ngr h LEU 415 CO 0.03 0.34 0.60 0.00 0.09 0.00 0.00 178.44 179.51 1ngr n SER 417 N -4.57 -3.59 0.00 0.00 7.64 0.08 -5.10 113.62 108.08 1ngr n SER 417 Ca 0.17 0.80 0.00 0.00 1.01 0.00 0.00 58.87 60.85 1ngr n SER 417 Cb 0.35 3.38 0.00 0.00 -1.01 0.00 0.00 64.21 66.93 1ngr n SER 417 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24