#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 -0.23 1.38 1.61 -0.87 -1.26 -5.05 114.94 110.52 1ngr s ASN 335 Ca 0.00 -0.67 -0.21 0.00 -1.57 0.00 0.00 52.86 50.41 1ngr s ASN 335 Cb 0.00 0.71 0.35 0.00 -0.02 0.00 0.00 41.25 42.29 1ngr s ASN 335 CO 0.00 -1.32 0.95 -0.76 -2.57 0.00 0.00 177.10 173.40 1ngr s LEU 336 N -2.94 -0.80 -0.15 0.60 1.43 -1.26 -0.73 118.68 114.82 1ngr s LEU 336 Ca 0.13 0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 54.03 1ngr s LEU 336 Cb -0.05 -2.44 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 1ngr s LEU 336 CO 0.07 -5.19 -0.27 0.00 0.23 0.00 0.00 176.35 171.19 1ngr n TYR 337 N -5.53 0.24 0.31 0.29 4.19 -1.22 -3.82 117.16 111.62 1ngr n TYR 337 Ca 0.11 0.10 0.18 0.00 3.31 0.00 0.00 57.90 61.61 1ngr n TYR 337 Cb 0.59 -0.53 1.03 0.00 0.49 0.00 0.00 39.34 40.92 1ngr n TYR 337 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 1ngr h SER 338 N -0.91 0.00 -0.93 2.98 4.64 -1.80 -1.95 113.55 115.58 1ngr h SER 338 Ca 0.00 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.46 1ngr h SER 338 Cb 0.79 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.80 1ngr h SER 338 CO 0.00 0.00 0.59 -1.28 -0.87 0.00 0.00 176.83 175.27 1ngr h SER 339 N 0.00 0.74 -1.98 4.97 0.87 -1.91 -3.39 113.55 112.84 1ngr h SER 339 Ca 0.01 0.05 -0.60 0.00 -1.23 0.00 0.00 61.79 60.01 1ngr h SER 339 Cb 0.05 -0.10 0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1ngr h SER 339 CO -0.00 0.37 1.23 0.18 -0.53 0.00 0.00 176.83 178.08 1ngr n LEU 340 N -4.59 3.43 0.37 2.23 4.77 -0.73 -4.91 117.00 117.57 1ngr n LEU 340 Ca 0.18 0.77 -0.17 0.00 -0.03 0.00 0.00 56.01 56.76 1ngr n LEU 340 Cb 0.45 -1.42 -0.08 0.00 -2.33 0.00 0.00 43.42 40.03 1ngr n LEU 340 CO 0.28 -0.18 0.53 1.55 -1.33 0.00 0.00 177.39 178.25 1ngr h PRO 341 N 10.84 -0.92 0.00 3.23 0.13 -1.89 -3.46 132.00 139.93 1ngr h PRO 341 Ca -0.45 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1ngr h PRO 341 Cb 1.27 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.60 1ngr h PRO 341 CO 0.96 -0.58 0.00 -0.11 -0.23 0.00 0.00 178.00 178.03 1ngr n LEU 342 N -5.45 -1.80 0.11 1.56 -0.00 -1.26 -4.99 117.00 105.16 1ngr n LEU 342 Ca -0.13 0.53 -0.04 0.00 -0.00 0.00 0.00 56.01 56.37 1ngr n LEU 342 Cb 0.39 1.82 0.09 0.00 -0.00 0.00 0.00 43.42 45.73 1ngr n LEU 342 CO 0.35 -0.26 0.41 0.74 -0.00 0.00 0.00 177.39 178.62 1ngr h THR 343 N 0.00 1.47 -0.84 1.96 2.02 -2.00 0.11 112.91 115.63 1ngr h THR 343 Ca 0.00 -2.32 -0.02 0.00 0.77 0.00 0.00 66.41 64.84 1ngr h THR 343 Cb 0.00 2.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.62 1ngr h THR 343 CO 0.00 0.67 0.43 0.50 0.37 0.00 0.00 175.52 177.49 1ngr h LYS 344 N 0.06 1.19 0.00 6.66 1.63 -1.96 -1.70 116.57 122.45 1ngr h LYS 344 Ca -0.01 -0.15 -0.01 0.00 -0.85 0.00 0.00 60.65 59.63 1ngr h LYS 344 Cb 1.25 -0.23 -0.00 0.00 -0.60 0.00 0.00 32.23 32.65 1ngr h LYS 344 CO 0.10 0.89 -0.03 0.00 -3.45 0.00 0.00 179.45 176.96 1ngr h ARG 345 N 1.18 0.00 -0.20 1.90 3.08 -1.14 0.02 114.38 119.22 1ngr h ARG 345 Ca 0.29 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.23 1ngr h ARG 345 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 1ngr h ARG 345 CO -0.04 0.03 -0.32 0.93 -1.07 0.00 0.00 179.97 179.49 1ngr h GLU 346 N 0.00 0.58 -0.90 0.04 5.08 -0.74 0.05 114.58 118.69 1ngr h GLU 346 Ca -0.00 -0.35 0.03 0.00 -1.00 0.00 0.00 59.36 58.04 1ngr h GLU 346 Cb 0.08 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1ngr h GLU 346 CO 0.00 0.96 0.59 1.49 -1.00 0.00 0.00 179.01 181.05 1ngr h GLU 347 N 0.25 1.11 -0.03 2.33 4.22 -1.00 -2.13 114.58 119.33 1ngr h GLU 347 Ca 0.02 -0.07 -0.06 0.00 0.08 0.00 0.00 59.36 59.33 1ngr h GLU 347 Cb 0.91 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1ngr h GLU 347 CO 0.07 0.73 -0.27 0.28 -2.18 0.00 0.00 179.01 177.65 1ngr h VAL 348 N 1.14 1.21 -0.36 0.32 2.07 -0.77 -0.63 116.25 119.23 1ngr h VAL 348 Ca 0.36 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1ngr h VAL 348 Cb -0.00 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1ngr h VAL 348 CO -0.12 0.28 0.19 -0.33 0.02 0.00 0.00 177.57 177.62 1ngr h GLU 349 N 0.04 0.49 0.00 1.57 5.08 -0.30 0.29 114.58 121.75 1ngr h GLU 349 Ca 0.01 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1ngr h GLU 349 Cb 0.50 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1ngr h GLU 349 CO 0.04 0.37 -0.30 -0.22 -1.00 0.00 0.00 179.01 177.89 1ngr h LYS 350 N 0.50 0.00 0.00 2.33 1.63 -1.00 -3.24 116.57 116.79 1ngr h LYS 350 Ca 0.13 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 1ngr h LYS 350 Cb 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1ngr h LYS 350 CO -0.02 0.30 -0.05 -0.07 -3.45 0.00 0.00 179.45 176.16 1ngr h LEU 351 N 0.00 0.00 -4.65 5.20 3.38 0.07 -3.37 115.31 115.94 1ngr h LEU 351 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 1ngr h LEU 351 Cb 1.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 1ngr h LEU 351 CO 0.04 0.44 0.90 0.18 0.09 0.00 0.00 178.44 180.08 1ngr n LEU 352 N -4.28 4.32 -5.00 1.67 4.77 0.84 -4.88 117.00 114.44 1ngr n LEU 352 Ca -0.01 -2.62 -0.18 0.00 -0.03 0.00 0.00 56.01 53.17 1ngr n LEU 352 Cb 0.03 -1.04 0.01 0.00 -2.33 0.00 0.00 43.42 40.09 1ngr n LEU 352 CO 0.01 0.99 0.15 0.54 -1.33 0.00 0.00 177.39 177.75 1ngr s ASN 353 N 2.58 5.53 0.56 -1.43 6.03 -1.22 -4.38 114.94 122.61 1ngr s ASN 353 Ca 0.46 -0.51 0.00 0.00 -1.03 0.00 0.00 52.86 51.78 1ngr s ASN 353 Cb 0.18 -0.54 0.00 0.00 -3.03 0.00 0.00 41.25 37.86 1ngr s ASN 353 CO -0.01 -0.81 0.00 0.61 -2.03 0.00 0.00 177.10 174.85 1ngr n GLY 354 N -1.86 1.46 0.00 0.45 0.00 -1.26 -3.85 105.19 100.13 1ngr n GLY 354 Ca 0.08 -0.67 0.06 0.00 0.00 0.00 0.00 46.02 45.50 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 3.30 1.72 -0.33 1.61 -0.08 -1.26 -4.47 116.55 117.05 1ngr n ASP 355 Ca 0.00 -0.17 0.24 0.00 -1.51 0.00 0.00 54.79 53.35 1ngr n ASP 355 Cb 0.00 1.47 0.47 0.00 2.34 0.00 0.00 41.12 45.40 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 0.20 -0.12 5.18 2.02 -1.92 -1.25 112.91 117.03 1ngr h THR 356 Ca 0.00 -0.07 0.05 0.00 0.77 0.00 0.00 66.41 67.16 1ngr h THR 356 Cb 0.53 -0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 66.87 1ngr h THR 356 CO 0.00 0.04 -0.32 4.11 0.37 0.00 0.00 175.52 179.72 1ngr h TRP 357 N 0.20 -0.87 -0.91 3.16 5.08 -1.76 -1.43 115.95 119.42 1ngr h TRP 357 Ca 0.73 0.04 0.21 0.00 1.08 0.00 0.00 58.89 60.94 1ngr h TRP 357 Cb 1.72 0.40 -0.17 0.00 -3.00 0.00 0.00 29.16 28.11 1ngr h TRP 357 CO -0.08 -0.40 -0.12 0.00 -1.28 0.00 0.00 178.44 176.57 1ngr h ARG 358 N -0.40 0.02 -0.15 0.12 3.08 -1.55 0.27 114.38 115.76 1ngr h ARG 358 Ca 0.09 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.18 1ngr h ARG 358 Cb 0.54 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.55 1ngr h ARG 358 CO -0.34 0.01 -0.09 0.45 -1.07 0.00 0.00 179.97 178.93 1ngr h HIS 359 N 0.02 -0.21 -0.79 3.04 3.86 -1.14 -2.05 115.15 117.87 1ngr h HIS 359 Ca 0.48 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.68 1ngr h HIS 359 Cb 0.84 0.12 -0.04 0.00 1.06 0.00 0.00 27.41 29.39 1ngr h HIS 359 CO -0.61 -0.14 0.38 1.25 0.86 0.00 0.00 177.93 179.67 1ngr h LEU 360 N -0.08 1.04 -0.56 2.43 5.85 -0.64 -3.15 115.31 120.20 1ngr h LEU 360 Ca 0.09 -0.14 0.11 0.00 0.84 0.00 0.00 57.88 58.79 1ngr h LEU 360 Cb 0.22 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 40.88 1ngr h LEU 360 CO -0.21 0.89 -0.00 0.00 -0.34 0.00 0.00 178.44 178.77 1ngr h ALA 361 N 1.20 0.54 -0.63 1.25 0.00 0.23 0.02 119.26 121.85 1ngr h ALA 361 Ca 0.27 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 55.27 1ngr h ALA 361 Cb 0.12 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1ngr h ALA 361 CO -0.03 -0.39 0.05 0.78 0.00 0.00 0.00 179.25 179.66 1ngr h GLY 362 N 0.11 1.16 2.00 0.00 0.00 -1.51 -2.65 103.07 102.19 1ngr h GLY 362 Ca 0.29 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1ngr h GLY 362 CO -0.48 0.75 0.00 0.83 0.00 0.00 0.00 176.54 177.64 1ngr h GLU 363 N 1.00 0.00 -0.99 4.80 4.39 -1.03 -1.81 114.58 120.94 1ngr h GLU 363 Ca 0.19 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.72 1ngr h GLU 363 Cb 0.50 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.05 1ngr h GLU 363 CO 0.02 0.00 0.22 1.28 -1.16 0.00 0.00 179.01 179.37 1ngr n LEU 364 N -2.97 4.21 -2.95 1.33 4.77 -0.19 -4.89 117.00 116.30 1ngr n LEU 364 Ca -0.01 -2.18 -0.19 0.00 -0.03 0.00 0.00 56.01 53.60 1ngr n LEU 364 Cb 0.16 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1ngr n LEU 364 CO 0.22 0.67 -0.08 0.61 -1.33 0.00 0.00 177.39 177.48 1ngr n GLY 365 N -0.07 -0.50 3.46 -0.72 0.00 -0.68 -4.98 105.19 101.71 1ngr n GLY 365 Ca 0.21 0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.83 3.00 0.89 1.61 2.02 -1.24 -5.08 117.35 115.71 1ngr s TYR 366 Ca 0.23 -0.40 -0.14 0.00 -0.37 0.00 0.00 57.07 56.39 1ngr s TYR 366 Cb -0.12 -1.97 0.01 0.00 -0.40 0.00 0.00 41.96 39.48 1ngr s TYR 366 CO 0.28 -0.11 0.38 1.04 -1.57 0.00 0.00 175.55 175.57 1ngr n GLN 367 N 3.69 -0.12 0.29 -0.62 6.02 -1.26 -4.32 117.38 121.06 1ngr n GLN 367 Ca -0.17 0.01 0.16 0.00 -0.01 0.00 0.00 57.00 56.99 1ngr n GLN 367 Cb 0.52 -1.81 0.85 0.00 1.02 0.00 0.00 30.24 30.82 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 -1.23 0.00 -0.36 -1.09 0.13 -1.98 -0.87 132.00 126.61 1ngr h PRO 368 Ca -0.44 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.71 1ngr h PRO 368 Cb 1.30 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 1ngr h PRO 368 CO 0.36 0.06 0.20 0.93 -0.23 0.00 0.00 178.00 179.32 1ngr h GLU 369 N 0.00 0.40 -0.10 0.86 5.08 -1.99 -0.97 114.58 117.86 1ngr h GLU 369 Ca -0.00 -0.02 -0.23 0.00 -1.00 0.00 0.00 59.36 58.10 1ngr h GLU 369 Cb 0.29 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.46 1ngr h GLU 369 CO 0.01 0.26 -0.86 0.45 -1.00 0.00 0.00 179.01 177.88 1ngr h HIS 370 N 0.41 1.00 0.03 4.33 3.86 -1.53 -1.38 115.15 121.87 1ngr h HIS 370 Ca 0.14 -0.47 0.01 0.00 -1.16 0.00 0.00 60.37 58.89 1ngr h HIS 370 Cb 0.02 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 1ngr h HIS 370 CO -0.08 1.30 -0.09 0.82 0.86 0.00 0.00 177.93 180.74 1ngr h ILE 371 N 0.46 0.78 0.00 2.45 2.04 -1.21 -1.63 117.51 120.41 1ngr h ILE 371 Ca -0.07 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.68 1ngr h ILE 371 Cb 1.49 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1ngr h ILE 371 CO 0.17 0.00 -0.50 -0.78 0.00 0.00 0.00 178.15 177.04 1ngr h ASP 372 N -0.16 0.00 0.55 1.72 3.58 -1.14 -2.14 116.42 118.82 1ngr h ASP 372 Ca 0.03 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1ngr h ASP 372 Cb 0.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.24 1ngr h ASP 372 CO -0.07 0.50 0.00 -0.24 -2.88 0.00 0.00 179.24 176.55 1ngr n SER 373 N -3.77 0.31 0.01 2.28 2.88 -0.52 -2.37 113.62 112.42 1ngr n SER 373 Ca -0.01 0.58 -0.07 0.00 -1.33 0.00 0.00 58.87 58.05 1ngr n SER 373 Cb 0.54 -0.65 -0.12 0.00 -0.75 0.00 0.00 64.21 63.24 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 -0.61 0.92 116.94 117.94 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 0.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.42 1ngr h PHE 374 CO 0.00 0.92 0.00 -2.37 -0.60 0.00 0.00 178.31 176.26 1ngr n THR 375 N -3.08 0.22 -0.01 -1.55 5.66 -1.00 -2.55 114.28 111.98 1ngr n THR 375 Ca -0.12 -0.07 -0.19 0.00 -3.05 0.00 0.00 64.05 60.62 1ngr n THR 375 Cb 0.99 -0.55 -0.14 0.00 -1.55 0.00 0.00 70.33 69.08 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 -1.73 1.14 -0.51 1.09 8.25 -1.01 -4.79 115.22 117.65 1ngr n HIS 376 Ca 0.06 0.26 -0.29 0.00 -0.26 0.00 0.00 57.72 57.50 1ngr n HIS 376 Cb 0.36 -1.16 0.24 0.00 1.12 0.00 0.00 29.99 30.55 1ngr n HIS 376 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1ngr n GLU 377 N -3.39 -2.27 -0.24 -0.41 1.02 0.29 -4.89 120.64 110.74 1ngr n GLU 377 Ca -0.30 -0.63 -0.01 0.00 -0.02 0.00 0.00 57.16 56.19 1ngr n GLU 377 Cb 1.05 -2.10 0.05 0.00 -0.02 0.00 0.00 31.44 30.42 1ngr n GLU 377 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ngr h ALA 378 N -2.57 0.28 -2.74 0.62 0.00 -1.90 -3.37 119.26 109.58 1ngr h ALA 378 Ca -0.60 0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 1ngr h ALA 378 Cb 1.33 0.67 -0.21 0.00 0.00 0.00 0.00 17.79 19.59 1ngr h ALA 378 CO 0.47 -0.52 -0.45 0.00 0.00 0.00 0.00 179.25 178.75 1ngr n PRO 380 N 1.51 0.00 -0.36 0.00 -0.04 -1.06 -1.86 135.00 133.19 1ngr n PRO 380 Ca -0.22 0.05 0.31 0.00 -0.04 0.00 0.00 63.50 63.61 1ngr n PRO 380 Cb 0.56 -0.80 0.58 0.00 -0.04 0.00 0.00 33.50 33.80 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 0.11 0.81 0.52 2.07 -1.90 0.39 116.25 118.26 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 -0.42 0.03 0.02 0.00 0.00 177.57 177.22 1ngr h ARG 382 N 0.11 -1.08 0.00 1.57 -0.00 -1.87 -2.14 114.38 110.97 1ngr h ARG 382 Ca 0.81 0.07 0.00 0.00 -0.50 0.00 0.00 59.98 60.37 1ngr h ARG 382 Cb 2.20 0.25 0.00 0.00 0.00 0.00 0.00 29.97 32.42 1ngr h ARG 382 CO -0.63 -0.72 -0.07 0.00 0.00 0.00 0.00 179.97 178.56 1ngr n ALA 383 N -2.60 2.42 0.01 0.04 0.00 -0.16 -1.91 120.51 118.30 1ngr n ALA 383 Ca -0.14 -0.09 -0.13 0.00 0.00 0.00 0.00 53.44 53.08 1ngr n ALA 383 Cb 0.45 -1.43 -0.09 0.00 0.00 0.00 0.00 19.45 18.37 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 -0.04 -0.17 0.00 5.85 -0.35 -1.01 115.31 119.59 1ngr h LEU 384 Ca 0.00 -0.43 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1ngr h LEU 384 Cb 0.61 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1ngr h LEU 384 CO 0.00 0.42 0.00 -0.07 -0.34 0.00 0.00 178.44 178.45 1ngr h LEU 385 N -0.52 0.00 -0.13 2.25 3.38 -1.24 0.31 115.31 119.36 1ngr h LEU 385 Ca -0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 1ngr h LEU 385 Cb 0.47 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.23 1ngr h LEU 385 CO 0.01 0.00 -0.65 0.00 0.09 0.00 0.00 178.44 177.89 1ngr h ALA 386 N 2.13 0.25 0.01 1.53 0.00 -1.28 -3.04 119.26 118.86 1ngr h ALA 386 Ca 0.00 -0.56 -0.27 0.00 0.00 0.00 0.00 54.91 54.08 1ngr h ALA 386 Cb 0.87 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1ngr h ALA 386 CO 0.00 0.54 -1.47 0.43 0.00 0.00 0.00 179.25 178.75 1ngr n SER 387 N -4.08 1.89 -0.37 0.00 7.64 -0.39 -3.83 113.62 114.48 1ngr n SER 387 Ca -0.08 0.39 0.03 0.00 1.01 0.00 0.00 58.87 60.22 1ngr n SER 387 Cb 0.68 -0.94 0.18 0.00 -1.01 0.00 0.00 64.21 63.12 1ngr n SER 387 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1ngr h TRP 388 N -0.91 1.20 0.00 1.43 7.01 -0.59 -1.86 115.95 122.23 1ngr h TRP 388 Ca -0.40 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.63 1ngr h TRP 388 Cb 1.40 -0.39 0.00 0.00 -2.10 0.00 0.00 29.16 28.07 1ngr h TRP 388 CO 0.07 0.61 0.00 0.41 -2.79 0.00 0.00 178.44 176.75 1ngr n GLY 389 N -1.36 0.07 0.00 2.65 0.00 -1.15 -0.63 105.19 104.76 1ngr n GLY 389 Ca 0.16 0.00 0.00 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 -0.14 1.77 -1.77 4.61 0.00 -0.70 -4.60 120.51 119.68 1ngr n ALA 390 Ca 0.00 -0.69 -0.40 0.00 0.00 0.00 0.00 53.44 52.35 1ngr n ALA 390 Cb 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.48 4.21 -0.55 0.00 -0.21 0.20 -4.94 119.66 117.89 1ngr s GLN 391 Ca 0.00 2.03 -0.27 0.00 0.02 0.00 0.00 55.36 57.14 1ngr s GLN 391 Cb 0.00 -2.89 -0.03 0.00 1.00 0.00 0.00 33.01 31.09 1ngr s GLN 391 CO 0.00 -0.24 1.93 0.34 -2.12 0.00 0.00 175.29 175.20 1ngr s ASP 392 N -0.80 5.24 0.00 5.90 2.15 -1.26 -1.99 116.67 125.91 1ngr s ASP 392 Ca 0.53 0.59 0.00 0.00 0.43 0.00 0.00 52.55 54.10 1ngr s ASP 392 Cb -0.35 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 39.74 1ngr s ASP 392 CO 0.46 -2.35 0.00 -1.54 -0.17 0.00 0.00 175.17 171.57 1ngr n SER 393 N 12.83 0.00 -3.24 -0.34 3.41 -1.26 -5.08 113.62 119.95 1ngr n SER 393 Ca 0.23 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.60 1ngr n SER 393 Cb 0.52 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.44 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 0.00 4.17 -1.40 7.33 0.00 -0.84 -4.73 120.51 125.03 1ngr n ALA 394 Ca 0.00 -2.05 -0.29 0.00 0.00 0.00 0.00 53.44 51.10 1ngr n ALA 394 Cb 0.00 -3.07 0.15 0.00 0.00 0.00 0.00 19.45 16.53 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 3.81 2.10 0.26 0.00 -4.23 -1.26 -3.37 115.64 112.95 1ngr s THR 395 Ca 0.39 0.03 -0.04 0.00 -1.18 0.00 0.00 61.69 60.90 1ngr s THR 395 Cb 0.10 -2.69 0.20 0.00 1.34 0.00 0.00 72.50 71.45 1ngr s THR 395 CO -0.00 -0.04 1.87 0.25 -0.54 0.00 0.00 174.62 176.15 1ngr h LEU 396 N -1.62 0.96 -0.88 4.79 6.46 -1.03 -2.40 115.31 121.60 1ngr h LEU 396 Ca -0.52 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.14 1ngr h LEU 396 Cb 1.33 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 41.01 1ngr h LEU 396 CO 0.60 0.81 0.00 -2.24 -0.62 0.00 0.00 178.44 176.99 1ngr h ASP 397 N 1.06 0.00 0.04 1.25 2.03 -1.92 0.18 116.42 119.06 1ngr h ASP 397 Ca 0.26 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.56 1ngr h ASP 397 Cb 0.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.60 1ngr h ASP 397 CO -0.03 0.00 -0.02 0.00 -1.03 0.00 0.00 179.24 178.16 1ngr h ALA 398 N 2.21 -0.05 -0.28 4.15 0.00 -1.72 -3.00 119.26 120.57 1ngr h ALA 398 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1ngr h ALA 398 Cb 0.32 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1ngr h ALA 398 CO 0.00 -0.06 0.05 1.25 0.00 0.00 0.00 179.25 180.48 1ngr h LEU 399 N -0.97 0.37 -0.68 0.00 6.46 -1.24 -1.61 115.31 117.63 1ngr h LEU 399 Ca -0.00 -0.05 0.03 0.00 -0.12 0.00 0.00 57.88 57.74 1ngr h LEU 399 Cb 0.53 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.32 1ngr h LEU 399 CO 0.01 0.39 0.43 0.25 -0.62 0.00 0.00 178.44 178.90 1ngr h LEU 400 N 0.40 0.70 -0.16 2.25 6.46 -1.08 0.10 115.31 123.97 1ngr h LEU 400 Ca 0.09 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.82 1ngr h LEU 400 Cb 0.19 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 39.96 1ngr h LEU 400 CO -0.00 0.49 -0.01 0.00 -0.62 0.00 0.00 178.44 178.29 1ngr h ALA 401 N 1.29 0.22 -0.35 1.25 0.00 -1.18 -1.99 119.26 118.51 1ngr h ALA 401 Ca 0.27 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1ngr h ALA 401 Cb 0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1ngr h ALA 401 CO -0.11 -0.05 0.06 0.00 0.00 0.00 0.00 179.25 179.15 1ngr h ALA 402 N 0.75 0.36 -0.46 0.00 0.00 -0.93 -1.71 119.26 117.27 1ngr h ALA 402 Ca 0.04 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1ngr h ALA 402 Cb 0.41 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1ngr h ALA 402 CO 0.01 -0.34 0.11 -0.07 0.00 0.00 0.00 179.25 178.96 1ngr h LEU 403 N 0.18 0.06 -1.84 0.00 3.38 -0.76 -1.93 115.31 114.40 1ngr h LEU 403 Ca 0.17 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 1ngr h LEU 403 Cb 0.19 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1ngr h LEU 403 CO -0.22 0.06 -0.12 -0.09 0.09 0.00 0.00 178.44 178.16 1ngr h ARG 404 N 0.26 0.00 -0.87 1.13 2.43 -0.61 -1.92 114.38 114.80 1ngr h ARG 404 Ca 0.23 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.43 1ngr h ARG 404 Cb 0.27 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.77 1ngr h ARG 404 CO -0.28 0.12 0.56 0.00 -1.51 0.00 0.00 179.97 178.87 1ngr h ARG 405 N 0.00 1.05 -0.86 0.20 3.08 -0.51 -1.18 114.38 116.17 1ngr h ARG 405 Ca -0.00 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1ngr h ARG 405 Cb 0.24 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1ngr h ARG 405 CO 0.02 0.70 0.06 0.44 -1.07 0.00 0.00 179.97 180.11 1ngr n ILE 406 N -4.54 1.34 -1.25 2.04 -0.00 -0.77 -4.86 119.36 111.32 1ngr n ILE 406 Ca 0.11 -0.64 -0.09 0.00 -0.00 0.00 0.00 62.75 62.12 1ngr n ILE 406 Cb 0.10 -0.48 -0.04 0.00 -0.00 0.00 0.00 39.64 39.22 1ngr n ILE 406 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1ngr n GLN 407 N 0.18 -1.25 -1.08 6.28 10.64 -0.45 -4.85 117.38 126.85 1ngr n GLN 407 Ca 0.15 0.56 -0.17 0.00 -1.83 0.00 0.00 57.00 55.71 1ngr n GLN 407 Cb 0.73 -4.71 -0.14 0.00 -0.86 0.00 0.00 30.24 25.25 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 -1.56 2.31 0.26 2.61 5.12 -0.93 -4.48 116.66 119.99 1ngr n ARG 408 Ca -0.09 -1.27 0.15 0.00 -1.93 0.00 0.00 57.85 54.71 1ngr n ARG 408 Cb 0.32 -2.14 0.61 0.00 -1.16 0.00 0.00 32.46 30.09 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 3.33 1.01 -0.75 7.54 0.00 -1.87 -2.93 119.26 125.59 1ngr h ALA 409 Ca 0.31 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.30 1ngr h ALA 409 Cb 1.28 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 1ngr h ALA 409 CO 0.52 0.08 0.32 0.38 0.00 0.00 0.00 179.25 180.55 1ngr h ASP 410 N 0.00 0.34 0.07 0.00 2.03 -1.97 -1.40 116.42 115.50 1ngr h ASP 410 Ca -0.00 0.10 -0.19 0.00 -0.73 0.00 0.00 57.03 56.20 1ngr h ASP 410 Cb 0.59 0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.14 1ngr h ASP 410 CO 0.01 0.15 -0.71 0.40 -1.03 0.00 0.00 179.24 178.05 1ngr h ILE 411 N 0.49 1.33 0.91 4.15 2.04 -1.87 -2.71 117.51 121.86 1ngr h ILE 411 Ca 0.40 -2.02 -0.04 0.00 1.00 0.00 0.00 64.86 64.19 1ngr h ILE 411 Cb 0.57 2.00 0.01 0.00 -0.74 0.00 0.00 36.82 38.66 1ngr h ILE 411 CO -0.37 0.62 -0.44 0.58 0.00 0.00 0.00 178.15 178.55 1ngr h VAL 412 N 0.40 0.00 0.00 1.67 2.07 -1.38 0.18 116.25 119.19 1ngr h VAL 412 Ca -0.03 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1ngr h VAL 412 Cb 1.30 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1ngr h VAL 412 CO 0.13 0.00 -0.06 1.05 0.02 0.00 0.00 177.57 178.71 1ngr h GLU 413 N -1.29 0.00 -0.36 1.57 9.09 -1.41 -0.68 114.58 121.50 1ngr h GLU 413 Ca -0.13 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.14 1ngr h GLU 413 Cb 0.94 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.03 1ngr h GLU 413 CO 0.21 0.06 -0.33 1.03 0.05 0.00 0.00 179.01 180.02 1ngr h SER 414 N 0.00 0.86 0.80 3.06 0.87 -1.40 -3.38 113.55 114.36 1ngr h SER 414 Ca -0.00 -0.36 -0.04 0.00 -1.23 0.00 0.00 61.79 60.16 1ngr h SER 414 Cb 0.12 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1ngr h SER 414 CO 0.01 1.11 -0.44 -0.07 -0.53 0.00 0.00 176.83 176.91 1ngr h LEU 415 N 0.68 -1.07 0.71 2.23 3.38 0.87 -3.40 115.31 118.70 1ngr h LEU 415 Ca 0.07 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1ngr h LEU 415 Cb 0.89 0.30 0.01 0.00 0.09 0.00 0.00 40.66 41.94 1ngr h LEU 415 CO 0.08 -0.70 -0.34 0.00 0.09 0.00 0.00 178.44 177.56 1ngr n SER 417 N -4.92 0.00 0.00 0.00 7.64 -1.26 -4.79 113.62 110.29 1ngr n SER 417 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1ngr n SER 417 Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 1ngr n SER 417 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24