#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 -0.33 1.39 1.61 -0.87 -1.26 -5.03 114.94 110.45 1ngr s ASN 335 Ca 0.00 0.90 -0.21 0.00 -1.57 0.00 0.00 52.86 51.97 1ngr s ASN 335 Cb 0.00 0.99 0.36 0.00 -0.02 0.00 0.00 41.25 42.58 1ngr s ASN 335 CO 0.00 -0.21 0.94 -0.76 -2.57 0.00 0.00 177.10 174.50 1ngr s LEU 336 N 1.97 -0.88 0.11 0.60 2.01 -1.26 -0.05 118.68 121.18 1ngr s LEU 336 Ca -0.06 0.95 0.09 0.00 0.01 0.00 0.00 54.13 55.12 1ngr s LEU 336 Cb -0.10 -2.43 -0.18 0.00 0.01 0.00 0.00 46.19 43.48 1ngr s LEU 336 CO -0.12 -5.24 1.21 0.22 1.01 0.00 0.00 176.35 173.42 1ngr h TYR 337 N -3.34 0.00 0.00 0.29 5.03 -1.47 -2.14 116.97 115.34 1ngr h TYR 337 Ca -0.46 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.85 1ngr h TYR 337 Cb 1.34 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.62 1ngr h TYR 337 CO -2.81 0.94 0.03 0.43 -1.32 0.00 0.00 178.16 175.44 1ngr n SER 338 N -3.29 0.19 -0.08 -2.11 7.64 -1.26 -1.54 113.62 113.17 1ngr n SER 338 Ca -0.02 0.57 -0.12 0.00 1.01 0.00 0.00 58.87 60.30 1ngr n SER 338 Cb 0.93 -0.58 -0.05 0.00 -1.01 0.00 0.00 64.21 63.50 1ngr n SER 338 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1ngr h SER 339 N 0.00 0.50 -2.26 6.43 0.87 -1.71 -3.38 113.55 113.99 1ngr h SER 339 Ca 0.00 -0.41 -0.57 0.00 -1.23 0.00 0.00 61.79 59.58 1ngr h SER 339 Cb 0.07 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1ngr h SER 339 CO 0.00 0.80 1.34 -0.76 -0.53 0.00 0.00 176.83 177.68 1ngr s LEU 340 N -9.22 3.84 0.00 2.23 1.43 -0.59 -4.96 118.68 111.41 1ngr s LEU 340 Ca -0.13 2.08 0.00 0.00 -1.03 0.00 0.00 54.13 55.05 1ngr s LEU 340 Cb 0.07 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.77 1ngr s LEU 340 CO 0.77 -1.55 0.42 -0.81 0.23 0.00 0.00 176.35 175.41 1ngr n PRO 341 N 8.18 0.00 0.00 1.29 -0.04 -1.26 -4.95 135.00 138.22 1ngr n PRO 341 Ca 0.25 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 1ngr n PRO 341 Cb 0.44 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 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 -1.87 0.00 -0.05 1.53 7.94 -1.26 -4.90 117.00 118.39 1ngr n LEU 342 Ca 0.00 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.79 1ngr n LEU 342 Cb 0.00 0.05 -0.05 0.00 0.53 0.00 0.00 43.42 43.95 1ngr n LEU 342 CO 0.00 -0.27 0.85 0.74 -1.11 0.00 0.00 177.39 177.60 1ngr h THR 343 N 0.00 1.16 -0.92 1.96 2.02 -2.01 0.10 112.91 115.21 1ngr h THR 343 Ca 0.00 -0.47 0.12 0.00 0.77 0.00 0.00 66.41 66.84 1ngr h THR 343 Cb 0.00 1.15 -0.07 0.00 -1.74 0.00 0.00 68.15 67.49 1ngr h THR 343 CO 0.00 0.15 0.59 0.50 0.37 0.00 0.00 175.52 177.13 1ngr h LYS 344 N 0.13 0.80 -0.95 6.66 3.11 -1.94 -2.46 116.57 121.91 1ngr h LYS 344 Ca 0.06 -0.05 0.13 0.00 -2.81 0.00 0.00 60.65 57.98 1ngr h LYS 344 Cb 0.17 -0.18 -0.08 0.00 -1.00 0.00 0.00 32.23 31.14 1ngr h LYS 344 CO -0.00 0.53 0.61 0.00 -2.81 0.00 0.00 179.45 177.77 1ngr h ARG 345 N 0.82 0.85 -0.74 1.90 2.47 -1.14 -1.10 114.38 117.44 1ngr h ARG 345 Ca 0.45 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 59.12 1ngr h ARG 345 Cb 0.57 -0.19 -0.04 0.00 -1.65 0.00 0.00 29.97 28.67 1ngr h ARG 345 CO -0.22 0.56 0.45 0.93 0.56 0.00 0.00 179.97 182.26 1ngr h GLU 346 N 0.88 1.01 0.02 0.04 4.39 -1.40 0.33 114.58 119.86 1ngr h GLU 346 Ca 0.47 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 60.08 1ngr h GLU 346 Cb 0.56 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1ngr h GLU 346 CO -0.24 0.72 -0.01 1.49 -1.16 0.00 0.00 179.01 179.81 1ngr h GLU 347 N 1.02 -0.03 -0.45 2.33 4.57 -1.52 -3.19 114.58 117.32 1ngr h GLU 347 Ca 0.27 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.42 1ngr h GLU 347 Cb -0.03 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1ngr h GLU 347 CO -0.05 0.04 0.16 0.28 -1.18 0.00 0.00 179.01 178.26 1ngr h VAL 348 N -0.09 1.18 0.00 0.32 2.07 0.16 0.10 116.25 119.99 1ngr h VAL 348 Ca -0.00 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1ngr h VAL 348 Cb 0.08 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1ngr h VAL 348 CO 0.01 0.22 -0.04 -0.33 0.02 0.00 0.00 177.57 177.44 1ngr h GLU 349 N 0.63 0.00 0.17 1.57 5.08 -0.44 0.24 114.58 121.84 1ngr h GLU 349 Ca 0.15 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.24 1ngr h GLU 349 Cb 0.16 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.44 1ngr h GLU 349 CO -0.01 0.04 -1.17 -0.22 -1.00 0.00 0.00 179.01 176.65 1ngr h LYS 350 N 0.00 0.50 0.72 2.33 3.64 -1.13 -3.40 116.57 119.23 1ngr h LYS 350 Ca -0.00 -0.76 -0.04 0.00 -1.27 0.00 0.00 60.65 58.58 1ngr h LYS 350 Cb 0.08 0.27 0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1ngr h LYS 350 CO 0.01 1.35 -0.35 -0.07 -2.27 0.00 0.00 179.45 178.12 1ngr h LEU 351 N 0.03 -0.82 -5.49 5.20 3.38 0.69 -3.17 115.31 115.12 1ngr h LEU 351 Ca -0.19 0.03 -0.43 0.00 0.09 0.00 0.00 57.88 57.38 1ngr h LEU 351 Cb 1.90 0.21 0.02 0.00 0.09 0.00 0.00 40.66 42.88 1ngr h LEU 351 CO 0.22 -0.49 2.70 0.18 0.09 0.00 0.00 178.44 181.14 1ngr n LEU 352 N -5.19 5.21 -4.26 1.67 4.77 0.71 -4.90 117.00 115.00 1ngr n LEU 352 Ca -0.12 -3.03 -0.37 0.00 -0.03 0.00 0.00 56.01 52.46 1ngr n LEU 352 Cb 0.38 -1.14 0.05 0.00 -2.33 0.00 0.00 43.42 40.38 1ngr n LEU 352 CO 0.29 0.67 -0.56 -3.20 -1.33 0.00 0.00 177.39 173.26 1ngr n ASN 353 N 4.43 -3.38 -3.52 -1.43 5.15 -1.20 -3.81 115.26 111.50 1ngr n ASN 353 Ca 0.48 0.48 -0.38 0.00 -0.60 0.00 0.00 54.58 54.55 1ngr n ASN 353 Cb 0.16 -0.98 -0.05 0.00 -0.53 0.00 0.00 39.78 38.39 1ngr n ASN 353 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ngr n GLY 354 N 2.42 2.74 0.00 8.20 0.00 -1.26 -0.87 105.19 116.42 1ngr n GLY 354 Ca 0.06 -1.18 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 6.71 0.00 -0.14 1.61 -0.08 -1.26 -4.94 116.55 118.45 1ngr n ASP 355 Ca 0.48 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.64 1ngr n ASP 355 Cb 0.34 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.79 1ngr n ASP 355 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1ngr h THR 356 N 0.00 1.28 0.02 5.18 2.02 -1.30 -1.06 112.91 119.05 1ngr h THR 356 Ca 0.00 -1.33 0.03 0.00 0.77 0.00 0.00 66.41 65.88 1ngr h THR 356 Cb 0.00 1.26 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 1ngr h THR 356 CO 0.00 0.45 -0.39 4.11 0.37 0.00 0.00 175.52 180.05 1ngr h TRP 357 N 0.67 -1.11 -0.92 3.16 5.08 -1.31 -2.93 115.95 118.60 1ngr h TRP 357 Ca 0.09 0.03 0.20 0.00 1.08 0.00 0.00 58.89 60.30 1ngr h TRP 357 Cb 0.75 0.48 -0.17 0.00 -3.00 0.00 0.00 29.16 27.22 1ngr h TRP 357 CO 0.06 -0.48 -0.14 0.00 -1.28 0.00 0.00 178.44 176.60 1ngr h ARG 358 N -0.56 0.01 0.14 0.12 3.08 -1.58 0.39 114.38 115.98 1ngr h ARG 358 Ca 0.05 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.11 1ngr h ARG 358 Cb 0.64 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.64 1ngr h ARG 358 CO -0.29 0.01 -0.49 0.45 -1.07 0.00 0.00 179.97 178.58 1ngr h HIS 359 N 0.01 -1.42 -0.84 3.04 3.86 -1.15 -2.87 115.15 115.79 1ngr h HIS 359 Ca 0.48 0.04 0.09 0.00 -1.16 0.00 0.00 60.37 59.82 1ngr h HIS 359 Cb 0.82 0.60 -0.07 0.00 1.06 0.00 0.00 27.41 29.82 1ngr h HIS 359 CO -0.62 -0.56 0.49 1.25 0.86 0.00 0.00 177.93 179.34 1ngr h LEU 360 N -0.72 0.71 -0.51 2.43 5.85 -0.93 -2.93 115.31 119.21 1ngr h LEU 360 Ca -0.01 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.85 1ngr h LEU 360 Cb 0.71 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.56 1ngr h LEU 360 CO -0.25 0.41 -0.01 0.00 -0.34 0.00 0.00 178.44 178.25 1ngr h ALA 361 N 1.45 0.47 -0.37 1.25 0.00 -0.07 0.23 119.26 122.22 1ngr h ALA 361 Ca 0.40 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.37 1ngr h ALA 361 Cb 0.34 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1ngr h ALA 361 CO -0.24 -0.39 -0.15 0.78 0.00 0.00 0.00 179.25 179.25 1ngr h GLY 362 N 0.10 0.72 2.00 0.00 0.00 -1.41 -2.70 103.07 101.78 1ngr h GLY 362 Ca 0.26 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1ngr h GLY 362 CO -0.43 0.50 -0.01 0.83 0.00 0.00 0.00 176.54 177.43 1ngr h GLU 363 N 0.60 0.00 -0.99 4.80 4.39 -0.86 -2.68 114.58 119.85 1ngr h GLU 363 Ca 0.10 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.70 1ngr h GLU 363 Cb 0.60 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.19 1ngr h GLU 363 CO 0.04 0.01 0.12 1.28 -1.16 0.00 0.00 179.01 179.30 1ngr n LEU 364 N -3.13 3.57 -2.35 1.33 4.77 -0.35 -4.86 117.00 115.99 1ngr n LEU 364 Ca -0.02 -1.83 -0.12 0.00 -0.03 0.00 0.00 56.01 54.01 1ngr n LEU 364 Cb 0.16 -0.57 -0.01 0.00 -2.33 0.00 0.00 43.42 40.67 1ngr n LEU 364 CO 0.23 0.58 -0.16 0.61 -1.33 0.00 0.00 177.39 177.33 1ngr n GLY 365 N 0.14 -0.36 3.31 -0.72 0.00 -1.01 -4.96 105.19 101.59 1ngr n GLY 365 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.57 3.14 0.93 1.61 1.51 -1.25 -5.09 117.35 115.63 1ngr s TYR 366 Ca 0.00 -1.13 -0.13 0.00 -1.01 0.00 0.00 57.07 54.79 1ngr s TYR 366 Cb 0.00 -2.22 0.02 0.00 -0.11 0.00 0.00 41.96 39.65 1ngr s TYR 366 CO 0.00 -0.62 0.34 1.04 -1.11 0.00 0.00 175.55 175.20 1ngr n GLN 367 N 4.82 -0.21 0.25 -0.62 6.02 -1.26 -4.35 117.38 122.04 1ngr n GLN 367 Ca -0.15 -0.02 0.09 0.00 -0.01 0.00 0.00 57.00 56.91 1ngr n GLN 367 Cb 0.47 -1.80 0.65 0.00 1.02 0.00 0.00 30.24 30.58 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 -1.40 0.00 -0.20 -1.09 0.13 -1.98 -0.70 132.00 126.76 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 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1ngr h PRO 368 CO 0.34 0.08 0.02 0.93 -0.23 0.00 0.00 178.00 179.14 1ngr h GLU 369 N 0.00 0.29 -0.30 0.86 3.07 -1.99 -0.77 114.58 115.73 1ngr h GLU 369 Ca -0.00 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.36 58.72 1ngr h GLU 369 Cb 0.15 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 1ngr h GLU 369 CO 0.01 0.31 -0.19 0.45 -1.40 0.00 0.00 179.01 178.18 1ngr h HIS 370 N 0.29 0.78 -0.43 4.33 3.86 -1.45 -2.15 115.15 120.38 1ngr h HIS 370 Ca 0.07 -0.21 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 1ngr h HIS 370 Cb 0.17 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.45 1ngr h HIS 370 CO 0.00 0.91 0.25 0.82 0.86 0.00 0.00 177.93 180.77 1ngr h ILE 371 N 0.41 1.15 0.05 2.45 1.08 -1.17 -1.76 117.51 119.73 1ngr h ILE 371 Ca 0.06 -0.37 0.01 0.00 -0.39 0.00 0.00 64.86 64.16 1ngr h ILE 371 Cb 0.74 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 35.09 1ngr h ILE 371 CO 0.05 0.16 -0.06 -0.78 -0.69 0.00 0.00 178.15 176.83 1ngr h ASP 372 N 0.57 -0.17 0.49 1.72 1.82 -1.20 -1.99 116.42 117.65 1ngr h ASP 372 Ca 0.15 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 1ngr h ASP 372 Cb 0.03 0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.11 1ngr h ASP 372 CO -0.03 -0.10 0.00 -0.24 -1.61 0.00 0.00 179.24 177.26 1ngr n SER 373 N -5.18 0.16 0.01 2.28 2.88 -0.81 -1.38 113.62 111.59 1ngr n SER 373 Ca -0.07 0.54 -0.18 0.00 -1.33 0.00 0.00 58.87 57.84 1ngr n SER 373 Cb 0.10 -0.58 -0.14 0.00 -0.75 0.00 0.00 64.21 62.85 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 0.37 0.00 0.66 0.04 -0.96 -3.33 116.94 113.72 1ngr h PHE 374 Ca 0.00 -0.27 0.00 0.00 2.80 0.00 0.00 57.97 60.50 1ngr h PHE 374 Cb 0.24 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1ngr h PHE 374 CO 0.00 1.54 0.00 -2.37 -0.60 0.00 0.00 178.31 176.88 1ngr n THR 375 N -3.37 0.08 0.11 -1.55 5.66 -0.48 -2.85 114.28 111.89 1ngr n THR 375 Ca -0.26 0.02 -0.20 0.00 -3.05 0.00 0.00 64.05 60.55 1ngr n THR 375 Cb 1.05 -0.54 -0.13 0.00 -1.55 0.00 0.00 70.33 69.16 1ngr n THR 375 CO 0.00 0.00 0.00 0.45 -3.05 0.00 0.00 175.07 172.47 1ngr h HIS 376 N 0.00 0.81 -2.64 1.09 3.86 -1.52 -3.46 115.15 113.29 1ngr h HIS 376 Ca 0.00 -0.55 -0.47 0.00 -1.16 0.00 0.00 60.37 58.19 1ngr h HIS 376 Cb 0.46 -0.05 0.23 0.00 1.06 0.00 0.00 27.41 29.12 1ngr h HIS 376 CO 0.00 1.41 -0.82 0.39 0.86 0.00 0.00 177.93 179.77 1ngr n GLU 377 N -3.69 -1.55 -0.16 2.45 -0.58 -1.13 -4.93 120.64 111.06 1ngr n GLU 377 Ca -0.12 -0.43 -0.02 0.00 -0.42 0.00 0.00 57.16 56.17 1ngr n GLU 377 Cb 1.02 -1.81 0.06 0.00 -0.57 0.00 0.00 31.44 30.14 1ngr n GLU 377 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ngr h ALA 378 N -2.10 0.45 -3.75 0.62 0.00 -1.92 -3.37 119.26 109.20 1ngr h ALA 378 Ca -0.53 0.17 -0.25 0.00 0.00 0.00 0.00 54.91 54.29 1ngr h ALA 378 Cb 1.34 0.30 -0.28 0.00 0.00 0.00 0.00 17.79 19.15 1ngr h ALA 378 CO 0.40 -0.40 -0.73 0.00 0.00 0.00 0.00 179.25 178.51 1ngr n PRO 380 N 3.11 0.00 -0.33 0.00 -0.04 -1.15 -2.56 135.00 134.04 1ngr n PRO 380 Ca -0.13 0.55 0.27 0.00 -0.04 0.00 0.00 63.50 64.15 1ngr n PRO 380 Cb 0.59 -1.33 0.52 0.00 -0.04 0.00 0.00 33.50 33.25 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 0.86 0.52 2.07 -1.89 0.38 116.25 118.30 1ngr h VAL 381 Ca 0.00 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1ngr h VAL 381 Cb 0.00 -0.01 0.01 0.00 -1.52 0.00 0.00 31.29 29.77 1ngr h VAL 381 CO 0.00 0.02 -0.41 -0.09 0.02 0.00 0.00 177.57 177.10 1ngr h ARG 382 N 0.11 -1.12 0.00 1.57 2.43 -1.94 -0.96 114.38 114.47 1ngr h ARG 382 Ca 0.78 0.08 0.00 0.00 -0.81 0.00 0.00 59.98 60.03 1ngr h ARG 382 Cb 1.95 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 31.76 1ngr h ARG 382 CO -0.73 -0.74 0.00 0.00 -1.51 0.00 0.00 179.97 176.99 1ngr n ALA 383 N -2.59 1.92 -0.06 2.80 0.00 -0.05 -1.50 120.51 121.03 1ngr n ALA 383 Ca -0.14 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.14 1ngr n ALA 383 Cb 0.46 -1.37 -0.12 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.01 -0.17 0.00 5.85 -0.31 -1.15 115.31 119.52 1ngr h LEU 384 Ca 0.00 -0.85 0.00 0.00 0.84 0.00 0.00 57.88 57.87 1ngr h LEU 384 Cb 0.42 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1ngr h LEU 384 CO 0.00 0.88 0.00 -0.07 -0.34 0.00 0.00 178.44 178.91 1ngr h LEU 385 N -0.92 0.00 -0.08 2.25 3.38 -1.02 0.16 115.31 119.08 1ngr h LEU 385 Ca -0.00 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.76 1ngr h LEU 385 Cb 0.86 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.62 1ngr h LEU 385 CO 0.00 0.00 -0.75 0.00 0.09 0.00 0.00 178.44 177.78 1ngr h ALA 386 N 2.14 0.20 0.02 1.53 0.00 -1.33 -3.36 119.26 118.47 1ngr h ALA 386 Ca 0.00 -0.60 -0.23 0.00 0.00 0.00 0.00 54.91 54.08 1ngr h ALA 386 Cb 0.86 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1ngr h ALA 386 CO 0.00 0.56 -1.24 0.77 0.00 0.00 0.00 179.25 179.34 1ngr h SER 387 N 0.31 0.07 -0.84 0.00 0.02 -0.87 -3.35 113.55 108.89 1ngr h SER 387 Ca -0.07 -0.62 0.14 0.00 -0.84 0.00 0.00 61.79 60.40 1ngr h SER 387 Cb 1.40 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.86 1ngr h SER 387 CO 0.15 1.50 0.55 -0.25 -1.14 0.00 0.00 176.83 177.64 1ngr h TRP 388 N -0.84 0.72 0.00 3.45 7.01 -0.91 -0.22 115.95 125.17 1ngr h TRP 388 Ca -0.32 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.70 1ngr h TRP 388 Cb 1.39 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 28.22 1ngr h TRP 388 CO 0.11 0.28 0.00 0.41 -2.79 0.00 0.00 178.44 176.45 1ngr n GLY 389 N -1.46 -0.32 0.15 2.65 0.00 -1.26 -1.26 105.19 103.70 1ngr n GLY 389 Ca 0.16 -0.03 0.04 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 h ALA 390 N 2.18 0.73 -2.72 4.61 0.00 -1.20 -3.44 119.26 119.41 1ngr h ALA 390 Ca 0.00 -0.41 -0.56 0.00 0.00 0.00 0.00 54.91 53.94 1ngr h ALA 390 Cb 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1ngr h ALA 390 CO 0.00 0.56 0.01 -0.65 0.00 0.00 0.00 179.25 179.18 1ngr s GLN 391 N -3.04 4.32 0.14 0.00 -0.21 -0.39 -4.99 119.66 115.50 1ngr s GLN 391 Ca 0.04 0.80 -0.27 0.00 0.02 0.00 0.00 55.36 55.95 1ngr s GLN 391 Cb 0.08 -3.30 -0.02 0.00 1.00 0.00 0.00 33.01 30.77 1ngr s GLN 391 CO 0.73 0.46 1.59 0.22 -2.12 0.00 0.00 175.29 176.17 1ngr h ASP 392 N 5.18 -1.25 0.00 5.90 3.58 -1.92 -0.96 116.42 126.96 1ngr h ASP 392 Ca -0.47 0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.17 1ngr h ASP 392 Cb 1.21 0.53 0.00 0.00 1.72 0.00 0.00 39.33 42.79 1ngr h ASP 392 CO 0.67 -0.38 0.00 -1.54 -2.88 0.00 0.00 179.24 175.11 1ngr n SER 393 N -5.42 0.00 -2.05 2.28 3.41 -1.26 -4.48 113.62 106.09 1ngr n SER 393 Ca -0.02 -1.40 -0.12 0.00 -0.26 0.00 0.00 58.87 57.07 1ngr n SER 393 Cb 0.35 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.14 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 -0.56 6.28 -1.28 7.33 0.00 -0.37 -4.63 120.51 127.28 1ngr n ALA 394 Ca 0.02 -1.83 -0.32 0.00 0.00 0.00 0.00 53.44 51.32 1ngr n ALA 394 Cb 0.01 -2.35 0.09 0.00 0.00 0.00 0.00 19.45 17.20 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 1.08 3.21 0.27 0.00 -4.23 -1.26 -1.39 115.64 113.32 1ngr s THR 395 Ca 0.65 0.43 -0.01 0.00 -1.18 0.00 0.00 61.69 61.58 1ngr s THR 395 Cb 0.31 -2.90 0.25 0.00 1.34 0.00 0.00 72.50 71.51 1ngr s THR 395 CO -0.00 -0.48 1.83 0.25 -0.54 0.00 0.00 174.62 175.68 1ngr h LEU 396 N -0.91 0.83 -1.31 4.79 7.12 -0.59 -0.86 115.31 124.38 1ngr h LEU 396 Ca -0.44 0.05 0.00 0.00 0.13 0.00 0.00 57.88 57.61 1ngr h LEU 396 Cb 1.24 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 41.25 1ngr h LEU 396 CO 0.51 0.46 0.00 -2.24 -0.13 0.00 0.00 178.44 177.04 1ngr h ASP 397 N 0.93 0.00 0.01 1.25 2.03 -1.91 -0.01 116.42 118.72 1ngr h ASP 397 Ca 0.45 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.73 1ngr h ASP 397 Cb 0.42 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.92 1ngr h ASP 397 CO -0.25 0.00 -0.09 0.00 -1.03 0.00 0.00 179.24 177.86 1ngr h ALA 398 N 2.10 -0.01 -0.67 4.15 0.00 -1.43 -1.94 119.26 121.48 1ngr h ALA 398 Ca 0.00 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 1ngr h ALA 398 Cb 0.37 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1ngr h ALA 398 CO 0.00 0.02 0.16 1.25 0.00 0.00 0.00 179.25 180.68 1ngr h LEU 399 N -0.86 1.01 -0.39 0.00 6.46 -1.00 0.22 115.31 120.75 1ngr h LEU 399 Ca -0.02 -0.24 0.01 0.00 -0.12 0.00 0.00 57.88 57.52 1ngr h LEU 399 Cb 1.02 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.65 1ngr h LEU 399 CO 0.02 0.99 0.23 0.25 -0.62 0.00 0.00 178.44 179.31 1ngr h LEU 400 N 0.99 0.38 -0.37 2.25 6.46 -1.14 0.32 115.31 124.22 1ngr h LEU 400 Ca 0.21 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.94 1ngr h LEU 400 Cb 0.37 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.20 1ngr h LEU 400 CO 0.00 0.28 0.11 0.00 -0.62 0.00 0.00 178.44 178.21 1ngr h ALA 401 N 1.17 0.48 -0.67 1.25 0.00 -0.86 -1.37 119.26 119.25 1ngr h ALA 401 Ca 0.15 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ngr h ALA 401 Cb -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1ngr h ALA 401 CO -0.06 0.12 0.44 0.00 0.00 0.00 0.00 179.25 179.75 1ngr h ALA 402 N 0.95 0.85 -0.58 0.00 0.00 -0.71 -1.23 119.26 118.53 1ngr h ALA 402 Ca 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ngr h ALA 402 Cb 0.26 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1ngr h ALA 402 CO -0.00 0.28 0.34 -0.07 0.00 0.00 0.00 179.25 179.80 1ngr h LEU 403 N 0.91 0.69 -1.10 0.00 3.38 -0.78 -2.64 115.31 115.77 1ngr h LEU 403 Ca 0.24 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 1ngr h LEU 403 Cb -0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1ngr h LEU 403 CO -0.05 0.54 -0.41 -0.09 0.09 0.00 0.00 178.44 178.52 1ngr h ARG 404 N 0.80 0.00 -0.69 1.13 2.43 -0.09 -1.34 114.38 116.63 1ngr h ARG 404 Ca 0.21 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.53 1ngr h ARG 404 Cb -0.02 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.42 1ngr h ARG 404 CO -0.04 0.41 0.11 0.00 -1.51 0.00 0.00 179.97 178.94 1ngr h ARG 405 N 0.00 0.20 -0.39 0.20 2.47 -0.99 -1.58 114.38 114.29 1ngr h ARG 405 Ca -0.00 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1ngr h ARG 405 Cb 0.81 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.08 1ngr h ARG 405 CO 0.05 0.13 0.00 0.44 0.56 0.00 0.00 179.97 181.16 1ngr n ILE 406 N -5.21 0.52 -1.53 2.04 -5.35 -0.98 -4.87 119.36 103.99 1ngr n ILE 406 Ca 0.12 -0.44 -0.14 0.00 -0.27 0.00 0.00 62.75 62.02 1ngr n ILE 406 Cb 0.41 0.12 -0.05 0.00 -1.74 0.00 0.00 39.64 38.38 1ngr n ILE 406 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 1ngr n GLN 407 N 0.39 -1.41 -1.01 6.28 7.27 -0.60 -4.86 117.38 123.45 1ngr n GLN 407 Ca 0.11 0.79 -0.16 0.00 0.07 0.00 0.00 57.00 57.81 1ngr n GLN 407 Cb 0.32 -5.10 -0.14 0.00 2.41 0.00 0.00 30.24 27.73 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 -2.03 2.19 0.27 3.69 3.00 -0.54 -4.55 116.66 118.69 1ngr n ARG 408 Ca -0.14 -1.15 0.16 0.00 -0.01 0.00 0.00 57.85 56.70 1ngr n ARG 408 Cb 0.47 -2.11 0.67 0.00 0.00 0.00 0.00 32.46 31.50 1ngr n ARG 408 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ngr h ALA 409 N 3.44 1.03 -0.13 7.54 0.00 -1.89 -3.08 119.26 126.16 1ngr h ALA 409 Ca 0.29 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1ngr h ALA 409 Cb 1.27 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1ngr h ALA 409 CO 0.48 0.08 -0.18 0.38 0.00 0.00 0.00 179.25 180.01 1ngr h ASP 410 N 0.00 -0.57 0.17 0.00 2.03 -1.96 -0.91 116.42 115.18 1ngr h ASP 410 Ca -0.00 0.10 -0.18 0.00 -0.73 0.00 0.00 57.03 56.22 1ngr h ASP 410 Cb 0.52 0.26 -0.00 0.00 -0.83 0.00 0.00 39.33 39.28 1ngr h ASP 410 CO 0.01 -0.23 -0.68 0.40 -1.03 0.00 0.00 179.24 177.70 1ngr h ILE 411 N -0.24 1.36 0.55 4.15 2.04 -1.90 -3.13 117.51 120.35 1ngr h ILE 411 Ca 0.10 -2.03 -0.03 0.00 1.00 0.00 0.00 64.86 63.90 1ngr h ILE 411 Cb 0.38 2.01 0.01 0.00 -0.74 0.00 0.00 36.82 38.47 1ngr h ILE 411 CO -0.26 0.62 -0.26 0.58 0.00 0.00 0.00 178.15 178.82 1ngr h VAL 412 N 0.33 0.45 0.00 1.67 2.07 -1.39 0.13 116.25 119.50 1ngr h VAL 412 Ca -0.02 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 1ngr h VAL 412 Cb 1.25 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1ngr h VAL 412 CO 0.12 0.01 -0.08 1.05 0.02 0.00 0.00 177.57 178.70 1ngr h GLU 413 N -0.80 0.00 -0.41 1.57 9.09 -1.27 0.01 114.58 122.78 1ngr h GLU 413 Ca -0.08 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.19 1ngr h GLU 413 Cb 0.59 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.68 1ngr h GLU 413 CO 0.12 0.08 -0.32 1.03 0.05 0.00 0.00 179.01 179.97 1ngr h SER 414 N 0.00 0.99 -0.95 3.06 0.87 -1.47 -3.16 113.55 112.89 1ngr h SER 414 Ca -0.00 -0.44 0.15 0.00 -1.23 0.00 0.00 61.79 60.26 1ngr h SER 414 Cb 0.15 -0.28 -0.08 0.00 -0.44 0.00 0.00 62.40 61.75 1ngr h SER 414 CO 0.01 1.23 0.60 -0.07 -0.53 0.00 0.00 176.83 178.07 1ngr h LEU 415 N 0.77 0.75 -1.16 2.23 3.38 0.74 -0.67 115.31 121.36 1ngr h LEU 415 Ca 0.08 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.14 1ngr h LEU 415 Cb 0.91 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.52 1ngr h LEU 415 CO 0.08 0.36 0.58 0.00 0.09 0.00 0.00 178.44 179.56 1ngr n SER 417 N -4.46 1.70 0.00 0.00 3.41 -0.27 -5.12 113.62 108.88 1ngr n SER 417 Ca 0.12 0.48 0.13 0.00 -0.26 0.00 0.00 58.87 59.35 1ngr n SER 417 Cb 0.15 -0.79 0.78 0.00 -0.26 0.00 0.00 64.21 64.09 1ngr n SER 417 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26