#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 6.24 1.40 1.61 -0.87 -1.26 -4.91 114.94 117.16 1ngr s ASN 335 Ca 0.00 -1.02 -0.22 0.00 -1.57 0.00 0.00 52.86 50.05 1ngr s ASN 335 Cb 0.00 -2.56 0.36 0.00 -0.02 0.00 0.00 41.25 39.03 1ngr s ASN 335 CO 0.00 -1.74 0.94 -0.76 -2.57 0.00 0.00 177.10 172.97 1ngr s LEU 336 N 5.77 -0.94 0.10 0.60 1.43 -1.26 -1.78 118.68 122.59 1ngr s LEU 336 Ca 0.45 0.88 -0.16 0.00 -1.03 0.00 0.00 54.13 54.28 1ngr s LEU 336 Cb -0.03 -2.35 -0.07 0.00 0.03 0.00 0.00 46.19 43.77 1ngr s LEU 336 CO -0.01 -5.28 1.45 0.22 0.23 0.00 0.00 176.35 172.97 1ngr h TYR 337 N -3.36 0.76 0.00 0.29 5.03 -1.42 -2.18 116.97 116.09 1ngr h TYR 337 Ca -0.45 -0.20 0.00 0.00 2.58 0.00 0.00 58.73 60.66 1ngr h TYR 337 Cb 1.34 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 39.45 1ngr h TYR 337 CO -3.06 0.90 0.00 -1.13 -1.32 0.00 0.00 178.16 173.56 1ngr n SER 338 N -4.36 0.07 -0.23 -2.11 3.41 -1.26 -3.15 113.62 106.00 1ngr n SER 338 Ca -0.03 0.52 -0.06 0.00 -0.26 0.00 0.00 58.87 59.04 1ngr n SER 338 Cb 0.40 -0.54 0.09 0.00 -0.26 0.00 0.00 64.21 63.90 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 1.00 -1.88 4.04 0.87 -1.72 -3.36 113.55 112.50 1ngr h SER 339 Ca 0.00 -0.20 -0.52 0.00 -1.23 0.00 0.00 61.79 59.83 1ngr h SER 339 Cb 0.18 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1ngr h SER 339 CO 0.00 0.96 1.53 -0.22 -0.53 0.00 0.00 176.83 178.57 1ngr s LEU 340 N -9.50 3.42 0.00 2.23 0.20 -1.19 -4.90 118.68 108.94 1ngr s LEU 340 Ca -0.11 1.36 0.26 0.00 0.69 0.00 0.00 54.13 56.32 1ngr s LEU 340 Cb 0.15 -2.99 1.02 0.00 -0.43 0.00 0.00 46.19 43.94 1ngr s LEU 340 CO 0.84 -2.39 1.72 -0.81 -0.29 0.00 0.00 176.35 175.42 1ngr n PRO 341 N 8.88 1.63 -4.02 0.98 -0.04 -1.26 -4.81 135.00 136.37 1ngr n PRO 341 Ca 0.32 -0.93 -0.23 0.00 -0.04 0.00 0.00 63.50 62.61 1ngr n PRO 341 Cb 0.50 -1.46 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 1ngr n PRO 341 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1ngr n LEU 342 N 0.13 0.00 0.28 1.53 7.94 -1.26 -5.01 117.00 120.61 1ngr n LEU 342 Ca 0.18 -2.47 0.10 0.00 -1.11 0.00 0.00 56.01 52.71 1ngr n LEU 342 Cb 0.33 0.46 0.53 0.00 0.53 0.00 0.00 43.42 45.27 1ngr n LEU 342 CO 0.16 -0.36 1.00 0.74 -1.11 0.00 0.00 177.39 177.81 1ngr h THR 343 N 1.32 0.00 -0.96 1.96 2.02 -2.01 -1.18 112.91 114.06 1ngr h THR 343 Ca -0.30 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.06 1ngr h THR 343 Cb 0.98 0.43 -0.09 0.00 -1.74 0.00 0.00 68.15 67.73 1ngr h THR 343 CO 0.49 0.00 0.61 0.50 0.37 0.00 0.00 175.52 177.49 1ngr h LYS 344 N 0.00 0.65 -0.67 6.66 1.63 -1.95 0.04 116.57 122.93 1ngr h LYS 344 Ca 0.00 -0.04 0.03 0.00 -0.85 0.00 0.00 60.65 59.79 1ngr h LYS 344 Cb 0.89 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 32.33 1ngr h LYS 344 CO 0.00 0.43 0.44 0.00 -3.45 0.00 0.00 179.45 176.87 1ngr h ARG 345 N 0.67 0.79 -0.16 1.90 2.47 -1.52 0.16 114.38 118.68 1ngr h ARG 345 Ca 0.52 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 59.17 1ngr h ARG 345 Cb 0.93 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 29.06 1ngr h ARG 345 CO -0.28 0.52 0.03 0.93 0.56 0.00 0.00 179.97 181.73 1ngr h GLU 346 N 0.81 0.27 0.00 0.04 4.39 -1.29 -1.96 114.58 116.83 1ngr h GLU 346 Ca 0.26 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.89 1ngr h GLU 346 Cb 0.05 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1ngr h GLU 346 CO -0.07 0.43 -0.01 1.49 -1.16 0.00 0.00 179.01 179.69 1ngr h GLU 347 N 0.06 0.00 0.02 2.33 4.81 -0.83 -1.10 114.58 119.87 1ngr h GLU 347 Ca 0.05 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.05 1ngr h GLU 347 Cb 0.29 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1ngr h GLU 347 CO 0.00 0.01 -1.11 0.28 -0.73 0.00 0.00 179.01 177.46 1ngr h VAL 348 N 0.00 1.59 -0.14 0.32 2.07 -0.00 0.32 116.25 120.40 1ngr h VAL 348 Ca -0.00 -3.30 -0.01 0.00 0.82 0.00 0.00 66.70 64.21 1ngr h VAL 348 Cb 0.07 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 1ngr h VAL 348 CO 0.00 0.92 0.04 -0.33 0.02 0.00 0.00 177.57 178.22 1ngr h GLU 349 N 0.01 0.19 -0.37 1.57 5.08 -0.50 0.36 114.58 120.92 1ngr h GLU 349 Ca -0.06 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1ngr h GLU 349 Cb 1.83 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.03 1ngr h GLU 349 CO 0.13 0.18 -0.19 -0.22 -1.00 0.00 0.00 179.01 177.91 1ngr h LYS 350 N 0.19 0.78 0.00 2.33 3.64 -1.28 -3.37 116.57 118.86 1ngr h LYS 350 Ca 0.05 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1ngr h LYS 350 Cb 0.07 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1ngr h LYS 350 CO -0.00 0.97 -0.09 -0.07 -2.27 0.00 0.00 179.45 177.99 1ngr h LEU 351 N 0.58 0.00 -5.48 5.20 3.38 0.15 -3.36 115.31 115.77 1ngr h LEU 351 Ca 0.08 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.59 1ngr h LEU 351 Cb 0.75 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.52 1ngr h LEU 351 CO 0.06 0.47 2.81 0.18 0.09 0.00 0.00 178.44 182.04 1ngr n LEU 352 N -4.34 5.55 -4.48 1.67 4.77 0.12 -4.89 117.00 115.40 1ngr n LEU 352 Ca -0.01 -3.17 -0.31 0.00 -0.03 0.00 0.00 56.01 52.48 1ngr n LEU 352 Cb 0.05 -1.19 0.17 0.00 -2.33 0.00 0.00 43.42 40.12 1ngr n LEU 352 CO 0.02 0.78 0.17 -0.46 -1.33 0.00 0.00 177.39 176.58 1ngr n ASN 353 N 4.47 -1.35 -3.56 -1.43 0.23 -1.26 -4.34 115.26 108.01 1ngr n ASN 353 Ca 0.51 0.18 -0.40 0.00 -0.53 0.00 0.00 54.58 54.33 1ngr n ASN 353 Cb 0.18 -1.25 -0.05 0.00 -2.08 0.00 0.00 39.78 36.58 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 1.13 2.69 0.00 4.83 0.00 -1.26 -2.05 105.19 110.53 1ngr n GLY 354 Ca 0.06 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 6.99 0.00 0.17 1.61 2.03 -1.26 -4.98 116.55 121.11 1ngr n ASP 355 Ca 0.49 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.82 1ngr n ASP 355 Cb 0.37 0.00 0.32 0.00 -0.72 0.00 0.00 41.12 41.08 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 1.21 -0.14 5.18 2.02 -1.82 -1.93 112.91 117.44 1ngr h THR 356 Ca 0.00 -1.55 0.05 0.00 0.77 0.00 0.00 66.41 65.68 1ngr h THR 356 Cb 0.00 1.86 -0.06 0.00 -1.74 0.00 0.00 68.15 68.20 1ngr h THR 356 CO 0.00 0.43 -0.30 4.11 0.37 0.00 0.00 175.52 180.13 1ngr h TRP 357 N 0.00 -0.82 -0.86 3.16 5.08 -1.61 -0.72 115.95 120.18 1ngr h TRP 357 Ca -0.00 0.04 0.15 0.00 1.08 0.00 0.00 58.89 60.15 1ngr h TRP 357 Cb 0.82 0.38 -0.15 0.00 -3.00 0.00 0.00 29.16 27.21 1ngr h TRP 357 CO 0.00 -0.38 -0.34 0.00 -1.28 0.00 0.00 178.44 176.45 1ngr h ARG 358 N -0.37 -0.05 -0.09 0.12 3.08 -1.62 0.34 114.38 115.79 1ngr h ARG 358 Ca 0.10 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.16 1ngr h ARG 358 Cb 0.52 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1ngr h ARG 358 CO -0.35 -0.03 0.03 0.45 -1.07 0.00 0.00 179.97 179.00 1ngr h HIS 359 N -0.05 0.06 -1.00 3.04 3.86 -1.40 -2.29 115.15 117.38 1ngr h HIS 359 Ca 0.33 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.59 1ngr h HIS 359 Cb 0.60 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 29.00 1ngr h HIS 359 CO -0.77 0.03 0.65 1.25 0.86 0.00 0.00 177.93 179.96 1ngr h LEU 360 N 0.08 1.08 -0.56 2.43 5.85 -0.51 -3.20 115.31 120.48 1ngr h LEU 360 Ca 0.04 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.86 1ngr h LEU 360 Cb 0.02 -0.24 -0.09 0.00 0.37 0.00 0.00 40.66 40.71 1ngr h LEU 360 CO -0.04 0.73 0.01 0.00 -0.34 0.00 0.00 178.44 178.80 1ngr h ALA 361 N 1.43 0.55 -0.32 1.25 0.00 0.25 0.49 119.26 122.91 1ngr h ALA 361 Ca 0.40 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.43 1ngr h ALA 361 Cb 0.03 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ngr h ALA 361 CO -0.13 -0.38 0.03 0.78 0.00 0.00 0.00 179.25 179.54 1ngr h GLY 362 N 0.13 0.58 1.74 0.00 0.00 -1.54 -2.69 103.07 101.30 1ngr h GLY 362 Ca 0.29 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1ngr h GLY 362 CO -0.46 0.38 0.12 0.83 0.00 0.00 0.00 176.54 177.40 1ngr h GLU 363 N 0.35 0.00 -0.96 4.80 3.07 -1.18 -2.00 114.58 118.66 1ngr h GLU 363 Ca 0.09 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.78 1ngr h GLU 363 Cb 0.40 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.20 1ngr h GLU 363 CO 0.01 0.00 0.22 1.28 -1.40 0.00 0.00 179.01 179.12 1ngr n LEU 364 N -2.69 4.27 -2.31 1.33 4.77 0.03 -4.79 117.00 117.61 1ngr n LEU 364 Ca -0.02 -2.22 -0.12 0.00 -0.03 0.00 0.00 56.01 53.62 1ngr n LEU 364 Cb 0.16 -0.63 -0.01 0.00 -2.33 0.00 0.00 43.42 40.61 1ngr n LEU 364 CO 0.14 0.67 -0.15 0.61 -1.33 0.00 0.00 177.39 177.33 1ngr n GLY 365 N -0.10 -0.30 3.34 -0.72 0.00 -0.75 -4.97 105.19 101.69 1ngr n GLY 365 Ca 0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.52 3.04 0.88 1.61 1.51 -1.25 -5.09 117.35 115.54 1ngr s TYR 366 Ca 0.00 -0.86 -0.14 0.00 -1.01 0.00 0.00 57.07 55.06 1ngr s TYR 366 Cb 0.00 -2.17 0.01 0.00 -0.11 0.00 0.00 41.96 39.69 1ngr s TYR 366 CO 0.00 -0.52 0.40 1.04 -1.11 0.00 0.00 175.55 175.36 1ngr n GLN 367 N 4.84 -0.10 0.29 -0.62 6.02 -1.26 -4.36 117.38 122.19 1ngr n GLN 367 Ca -0.17 0.02 0.19 0.00 -0.01 0.00 0.00 57.00 57.03 1ngr n GLN 367 Cb 0.50 -1.82 0.86 0.00 1.02 0.00 0.00 30.24 30.81 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 -1.18 0.00 -0.99 -1.09 0.13 -1.97 -1.65 132.00 125.25 1ngr h PRO 368 Ca -0.44 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.72 1ngr h PRO 368 Cb 1.30 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.38 1ngr h PRO 368 CO 0.36 0.00 0.65 0.93 -0.23 0.00 0.00 178.00 179.71 1ngr h GLU 369 N 0.00 1.22 -0.23 0.86 3.07 -1.99 0.10 114.58 117.62 1ngr h GLU 369 Ca 0.00 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 58.71 1ngr h GLU 369 Cb 0.31 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 1ngr h GLU 369 CO 0.00 0.81 -0.15 0.45 -1.40 0.00 0.00 179.01 178.72 1ngr h HIS 370 N 1.26 0.58 -0.41 4.33 3.86 -1.63 -1.30 115.15 121.85 1ngr h HIS 370 Ca 0.39 -0.16 0.01 0.00 -1.16 0.00 0.00 60.37 59.45 1ngr h HIS 370 Cb -0.01 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 1ngr h HIS 370 CO -0.00 0.80 0.27 0.82 0.86 0.00 0.00 177.93 180.67 1ngr h ILE 371 N 0.20 1.10 -0.24 2.45 2.04 -1.33 0.12 117.51 121.84 1ngr h ILE 371 Ca 0.05 -0.19 -0.17 0.00 1.00 0.00 0.00 64.86 65.55 1ngr h ILE 371 Cb 0.67 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1ngr h ILE 371 CO 0.04 0.10 -0.53 0.44 0.00 0.00 0.00 178.15 178.20 1ngr h ASP 372 N 0.54 0.78 0.61 1.72 3.32 -1.05 -2.82 116.42 119.53 1ngr h ASP 372 Ca 0.15 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1ngr h ASP 372 Cb -0.05 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.27 1ngr h ASP 372 CO -0.04 1.16 0.00 -0.24 -1.72 0.00 0.00 179.24 178.40 1ngr n SER 373 N -3.99 0.32 0.00 6.45 2.88 -0.49 -2.62 113.62 116.18 1ngr n SER 373 Ca -0.03 0.58 -0.11 0.00 -1.33 0.00 0.00 58.87 57.97 1ngr n SER 373 Cb 0.61 -0.65 -0.14 0.00 -0.75 0.00 0.00 64.21 63.28 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 0.13 0.00 0.66 0.04 -0.55 0.10 116.94 117.32 1ngr h PHE 374 Ca 0.00 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1ngr h PHE 374 Cb 0.31 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.45 1ngr h PHE 374 CO 0.00 1.16 0.00 -2.37 -0.60 0.00 0.00 178.31 176.50 1ngr n THR 375 N -3.19 0.14 -0.01 -1.55 5.66 -1.08 -1.93 114.28 112.31 1ngr n THR 375 Ca -0.17 -0.03 -0.19 0.00 -3.05 0.00 0.00 64.05 60.61 1ngr n THR 375 Cb 1.04 -0.54 -0.14 0.00 -1.55 0.00 0.00 70.33 69.14 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 -1.63 1.10 -0.48 1.09 8.25 -1.05 -4.85 115.22 117.65 1ngr n HIS 376 Ca 0.07 0.25 -0.28 0.00 -0.26 0.00 0.00 57.72 57.49 1ngr n HIS 376 Cb 0.35 -1.15 0.26 0.00 1.12 0.00 0.00 29.99 30.57 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 -1.03 0.23 -0.41 2.02 0.33 -4.89 118.70 112.40 1ngr s GLU 377 Ca -0.21 0.91 -0.10 0.00 0.02 0.00 0.00 54.97 55.59 1ngr s GLU 377 Cb 0.07 -1.53 0.34 0.00 0.10 0.00 0.00 34.13 33.11 1ngr s GLU 377 CO 0.76 -3.82 1.62 0.00 0.02 0.00 0.00 175.26 173.84 1ngr h ALA 378 N -2.70 0.58 -2.68 5.21 0.00 -1.90 -3.38 119.26 114.40 1ngr h ALA 378 Ca -0.62 0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.43 1ngr h ALA 378 Cb 1.33 0.51 -0.21 0.00 0.00 0.00 0.00 17.79 19.42 1ngr h ALA 378 CO 0.49 -0.42 -0.41 0.00 0.00 0.00 0.00 179.25 178.91 1ngr n PRO 380 N 1.42 0.00 -0.50 0.00 -0.04 -0.81 -2.01 135.00 133.06 1ngr n PRO 380 Ca -0.22 0.07 0.41 0.00 -0.04 0.00 0.00 63.50 63.71 1ngr n PRO 380 Cb 0.56 -0.99 0.70 0.00 -0.04 0.00 0.00 33.50 33.72 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 0.10 0.66 0.52 2.07 -1.91 0.34 116.25 118.03 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 29.82 1ngr h VAL 381 CO 0.00 0.01 -0.32 0.03 0.02 0.00 0.00 177.57 177.31 1ngr h ARG 382 N 0.05 -0.85 0.00 1.57 2.47 -1.96 -2.65 114.38 113.01 1ngr h ARG 382 Ca 0.84 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 59.62 1ngr h ARG 382 Cb 2.86 0.19 0.00 0.00 -1.65 0.00 0.00 29.97 31.37 1ngr h ARG 382 CO -0.31 -0.57 0.00 0.00 0.56 0.00 0.00 179.97 179.65 1ngr n ALA 383 N -2.59 2.10 0.00 0.04 0.00 -0.07 -2.50 120.51 117.49 1ngr n ALA 383 Ca -0.11 -0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.16 1ngr n ALA 383 Cb 0.35 -1.42 -0.10 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.05 0.00 0.00 5.85 -0.48 0.21 115.31 120.83 1ngr h LEU 384 Ca 0.00 -0.51 -0.00 0.00 0.84 0.00 0.00 57.88 58.20 1ngr h LEU 384 Cb 0.51 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 1ngr h LEU 384 CO 0.00 0.51 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.48 1ngr h LEU 385 N -0.64 0.00 0.02 2.25 3.38 -1.36 0.22 115.31 119.17 1ngr h LEU 385 Ca -0.01 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 1ngr h LEU 385 Cb 0.56 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.33 1ngr h LEU 385 CO 0.01 0.02 -0.92 0.00 0.09 0.00 0.00 178.44 177.64 1ngr h ALA 386 N 1.98 0.09 0.02 1.53 0.00 -1.50 -2.96 119.26 118.41 1ngr h ALA 386 Ca -0.00 -0.67 -0.23 0.00 0.00 0.00 0.00 54.91 54.02 1ngr h ALA 386 Cb 1.02 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1ngr h ALA 386 CO 0.00 0.57 -1.22 1.03 0.00 0.00 0.00 179.25 179.63 1ngr h SER 387 N 0.20 0.05 -0.86 0.00 0.87 -0.81 -3.10 113.55 109.91 1ngr h SER 387 Ca -0.12 -0.60 0.02 0.00 -1.23 0.00 0.00 61.79 59.86 1ngr h SER 387 Cb 1.60 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 63.50 1ngr h SER 387 CO 0.18 1.49 0.56 -0.25 -0.53 0.00 0.00 176.83 178.28 1ngr h TRP 388 N -0.88 1.06 0.00 2.24 7.01 -0.76 -2.45 115.95 122.18 1ngr h TRP 388 Ca -0.32 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.70 1ngr h TRP 388 Cb 1.36 -0.36 0.00 0.00 -2.10 0.00 0.00 29.16 28.07 1ngr h TRP 388 CO 0.11 0.64 0.00 0.41 -2.79 0.00 0.00 178.44 176.81 1ngr n GLY 389 N -1.34 1.40 0.01 2.65 0.00 -1.12 -2.65 105.19 104.14 1ngr n GLY 389 Ca 0.10 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 0.09 2.98 -1.85 4.61 0.00 -0.92 -4.68 120.51 120.74 1ngr n ALA 390 Ca 0.00 -0.44 -0.33 0.00 0.00 0.00 0.00 53.44 52.67 1ngr n ALA 390 Cb 0.25 -0.62 -0.06 0.00 0.00 0.00 0.00 19.45 19.01 1ngr n ALA 390 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1ngr s GLN 391 N -3.15 4.17 0.35 0.00 -2.07 -1.09 -4.98 119.66 112.89 1ngr s GLN 391 Ca -0.04 1.05 0.16 0.00 -1.82 0.00 0.00 55.36 54.71 1ngr s GLN 391 Cb 0.12 -2.19 0.62 0.00 -1.09 0.00 0.00 33.01 30.46 1ngr s GLN 391 CO 0.75 -0.05 1.72 0.22 -1.32 0.00 0.00 175.29 176.61 1ngr h ASP 392 N 1.78 0.00 0.26 12.60 3.58 -1.94 -2.82 116.42 129.88 1ngr h ASP 392 Ca -0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.96 1ngr h ASP 392 Cb 1.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.23 1ngr h ASP 392 CO 0.61 0.44 0.00 -1.54 -2.88 0.00 0.00 179.24 175.87 1ngr n SER 393 N -3.68 0.00 -2.53 2.28 3.41 -1.26 -0.26 113.62 111.58 1ngr n SER 393 Ca -0.01 0.05 -0.24 0.00 -0.26 0.00 0.00 58.87 58.41 1ngr n SER 393 Cb 0.52 -0.27 -0.09 0.00 -0.26 0.00 0.00 64.21 64.11 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 -1.27 6.63 -1.16 7.33 0.00 -1.07 -4.75 120.51 126.23 1ngr n ALA 394 Ca 0.07 -2.76 -0.31 0.00 0.00 0.00 0.00 53.44 50.44 1ngr n ALA 394 Cb 0.11 -2.47 0.11 0.00 0.00 0.00 0.00 19.45 17.21 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 -0.19 3.02 0.25 0.00 -4.23 -1.26 -1.41 115.64 111.81 1ngr s THR 395 Ca 0.63 0.33 -0.05 0.00 -1.18 0.00 0.00 61.69 61.42 1ngr s THR 395 Cb 0.30 -2.74 0.24 0.00 1.34 0.00 0.00 72.50 71.64 1ngr s THR 395 CO -0.10 -0.43 1.89 0.25 -0.54 0.00 0.00 174.62 175.70 1ngr h LEU 396 N -1.33 1.03 -1.21 4.79 7.12 -1.49 -1.84 115.31 122.38 1ngr h LEU 396 Ca -0.45 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.55 1ngr h LEU 396 Cb 1.25 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 41.14 1ngr h LEU 396 CO 0.50 0.70 0.00 -2.24 -0.13 0.00 0.00 178.44 177.28 1ngr h ASP 397 N 1.19 0.00 0.00 1.25 2.03 -1.91 -0.66 116.42 118.33 1ngr h ASP 397 Ca 0.38 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.68 1ngr h ASP 397 Cb 0.01 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.51 1ngr h ASP 397 CO -0.12 0.00 -0.00 0.00 -1.03 0.00 0.00 179.24 178.09 1ngr h ALA 398 N 2.13 -0.00 -0.58 4.15 0.00 -1.63 -2.18 119.26 121.14 1ngr h ALA 398 Ca 0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 1ngr h ALA 398 Cb 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1ngr h ALA 398 CO 0.00 -0.05 0.01 1.25 0.00 0.00 0.00 179.25 180.46 1ngr h LEU 399 N -0.91 0.98 -0.46 0.00 6.46 -1.17 0.35 115.31 120.55 1ngr h LEU 399 Ca -0.00 -0.27 0.02 0.00 -0.12 0.00 0.00 57.88 57.51 1ngr h LEU 399 Cb 0.89 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.53 1ngr h LEU 399 CO 0.00 1.03 0.27 0.25 -0.62 0.00 0.00 178.44 179.37 1ngr h LEU 400 N 0.92 0.44 -0.36 2.25 6.46 -1.22 0.18 115.31 123.98 1ngr h LEU 400 Ca 0.17 0.00 -0.18 0.00 -0.12 0.00 0.00 57.88 57.75 1ngr h LEU 400 Cb 0.53 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1ngr h LEU 400 CO 0.03 0.32 -0.55 0.00 -0.62 0.00 0.00 178.44 177.62 1ngr h ALA 401 N 1.20 0.53 -0.52 1.25 0.00 -1.07 -0.83 119.26 119.82 1ngr h ALA 401 Ca 0.18 -0.51 0.05 0.00 0.00 0.00 0.00 54.91 54.63 1ngr h ALA 401 Cb 0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1ngr h ALA 401 CO -0.08 0.68 0.26 0.00 0.00 0.00 0.00 179.25 180.11 1ngr h ALA 402 N 0.76 0.66 -0.66 0.00 0.00 -0.64 0.89 119.26 120.27 1ngr h ALA 402 Ca 0.01 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ngr h ALA 402 Cb 1.14 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1ngr h ALA 402 CO 0.12 -0.10 0.42 -0.07 0.00 0.00 0.00 179.25 179.62 1ngr h LEU 403 N 0.50 0.71 -1.62 0.00 3.38 -0.91 -2.47 115.31 114.90 1ngr h LEU 403 Ca 0.23 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 1ngr h LEU 403 Cb 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1ngr h LEU 403 CO -0.17 0.51 -0.20 -0.09 0.09 0.00 0.00 178.44 178.58 1ngr h ARG 404 N 0.85 0.00 0.00 1.13 9.65 -0.01 -0.69 114.38 125.32 1ngr h ARG 404 Ca 0.25 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.13 1ngr h ARG 404 Cb -0.04 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 1ngr h ARG 404 CO -0.08 0.20 0.00 -0.09 2.80 0.00 0.00 179.97 182.80 1ngr h ARG 405 N 0.00 0.00 -0.57 0.20 9.65 -0.39 -0.37 114.38 122.90 1ngr h ARG 405 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1ngr h ARG 405 Cb 0.35 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.93 1ngr h ARG 405 CO 0.03 0.00 0.00 0.44 2.80 0.00 0.00 179.97 183.24 1ngr n ILE 406 N -2.31 1.17 -1.99 1.20 -0.00 -0.36 -4.97 119.36 112.09 1ngr n ILE 406 Ca 0.02 -1.06 -0.11 0.00 -0.00 0.00 0.00 62.75 61.60 1ngr n ILE 406 Cb 0.24 0.42 -0.02 0.00 -0.00 0.00 0.00 39.64 40.27 1ngr n ILE 406 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.55 178.22 1ngr n GLN 407 N 1.09 -1.88 -1.27 6.28 7.27 -0.15 -4.85 117.38 123.86 1ngr n GLN 407 Ca 0.20 0.58 -0.34 0.00 0.07 0.00 0.00 57.00 57.51 1ngr n GLN 407 Cb 0.60 -5.01 -0.05 0.00 2.41 0.00 0.00 30.24 28.19 1ngr n GLN 407 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1ngr n ARG 408 N -2.35 3.42 0.26 3.69 5.12 -0.72 -4.65 116.66 121.43 1ngr n ARG 408 Ca -0.12 -2.02 0.15 0.00 -1.93 0.00 0.00 57.85 53.93 1ngr n ARG 408 Cb 0.50 -2.65 0.58 0.00 -1.16 0.00 0.00 32.46 29.73 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 4.61 1.01 -0.61 7.54 0.00 -1.89 -2.91 119.26 127.01 1ngr h ALA 409 Ca 0.75 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.68 1ngr h ALA 409 Cb 0.51 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1ngr h ALA 409 CO 1.49 0.08 0.28 0.38 0.00 0.00 0.00 179.25 181.48 1ngr h ASP 410 N 0.00 0.35 -0.42 0.00 2.03 -1.98 0.11 116.42 116.51 1ngr h ASP 410 Ca -0.00 0.06 -0.14 0.00 -0.73 0.00 0.00 57.03 56.21 1ngr h ASP 410 Cb 0.62 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.11 1ngr h ASP 410 CO 0.01 0.22 -0.29 0.40 -1.03 0.00 0.00 179.24 178.55 1ngr h ILE 411 N 0.50 1.27 0.12 4.15 2.04 -1.85 -2.86 117.51 120.88 1ngr h ILE 411 Ca 0.29 -1.46 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 1ngr h ILE 411 Cb 0.29 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1ngr h ILE 411 CO -0.25 0.50 -0.06 0.58 0.00 0.00 0.00 178.15 178.92 1ngr h VAL 412 N 0.81 0.92 -0.60 1.67 2.07 -1.37 0.12 116.25 119.87 1ngr h VAL 412 Ca 0.09 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1ngr h VAL 412 Cb 0.87 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1ngr h VAL 412 CO 0.08 0.04 0.30 -0.33 0.02 0.00 0.00 177.57 177.68 1ngr h GLU 413 N -0.24 0.84 -0.30 1.57 3.07 -1.06 -1.69 114.58 116.77 1ngr h GLU 413 Ca -0.02 -0.10 -0.13 0.00 -0.50 0.00 0.00 59.36 58.62 1ngr h GLU 413 Cb 0.19 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 1ngr h GLU 413 CO 0.03 0.64 -0.33 1.03 -1.40 0.00 0.00 179.01 178.98 1ngr h SER 414 N 0.84 0.69 -0.95 1.42 0.87 -1.27 -2.46 113.55 112.69 1ngr h SER 414 Ca 0.21 -0.28 0.14 0.00 -1.23 0.00 0.00 61.79 60.63 1ngr h SER 414 Cb 0.07 -0.19 -0.08 0.00 -0.44 0.00 0.00 62.40 61.76 1ngr h SER 414 CO -0.03 0.96 0.60 -0.07 -0.53 0.00 0.00 176.83 177.76 1ngr h LEU 415 N 0.56 0.77 0.20 2.23 3.38 0.03 -1.42 115.31 121.06 1ngr h LEU 415 Ca 0.06 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1ngr h LEU 415 Cb 0.83 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1ngr h LEU 415 CO 0.07 0.39 -0.09 0.00 0.09 0.00 0.00 178.44 178.90 1ngr n SER 417 N -5.18 -0.55 0.00 0.00 3.41 -0.55 -5.13 113.62 105.61 1ngr n SER 417 Ca -0.09 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1ngr n SER 417 Cb 0.15 0.92 0.00 0.00 -0.26 0.00 0.00 64.21 65.02 1ngr n SER 417 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09