#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 4.02 1.40 1.61 0.01 -1.26 -4.88 114.94 115.83 1ngr s ASN 335 Ca 0.00 0.72 -0.22 0.00 -0.71 0.00 0.00 52.86 52.66 1ngr s ASN 335 Cb 0.00 -1.15 0.36 0.00 0.41 0.00 0.00 41.25 40.87 1ngr s ASN 335 CO 0.00 -2.21 0.94 -0.76 -1.51 0.00 0.00 177.10 173.56 1ngr s LEU 336 N -5.74 -0.89 -0.10 0.60 1.43 -1.26 -0.85 118.68 111.87 1ngr s LEU 336 Ca 0.65 0.93 -0.17 0.00 -1.03 0.00 0.00 54.13 54.51 1ngr s LEU 336 Cb -0.10 -2.41 -0.15 0.00 0.03 0.00 0.00 46.19 43.56 1ngr s LEU 336 CO 0.51 -5.25 0.55 0.22 0.23 0.00 0.00 176.35 172.61 1ngr h TYR 337 N -3.34 -0.06 0.00 0.29 5.03 -1.62 -3.33 116.97 113.95 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 0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.64 1ngr h TYR 337 CO -2.86 0.45 0.01 0.43 -1.32 0.00 0.00 178.16 174.87 1ngr n SER 338 N -4.76 0.42 -0.32 -2.11 7.64 -1.26 -0.76 113.62 112.48 1ngr n SER 338 Ca -0.06 0.69 0.07 0.00 1.01 0.00 0.00 58.87 60.58 1ngr n SER 338 Cb 0.26 -0.75 0.26 0.00 -1.01 0.00 0.00 64.21 62.98 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 0.87 -2.22 6.43 0.87 -1.93 -3.37 113.55 114.20 1ngr h SER 339 Ca 0.00 0.03 -0.56 0.00 -1.23 0.00 0.00 61.79 60.02 1ngr h SER 339 Cb 0.02 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1ngr h SER 339 CO 0.00 0.51 1.35 -0.76 -0.53 0.00 0.00 176.83 177.40 1ngr s LEU 340 N -10.05 3.88 0.01 2.23 1.43 0.06 -4.92 118.68 111.32 1ngr s LEU 340 Ca -0.11 2.17 -0.26 0.00 -1.03 0.00 0.00 54.13 54.89 1ngr s LEU 340 Cb 0.21 -3.52 -0.14 0.00 0.03 0.00 0.00 46.19 42.77 1ngr s LEU 340 CO 0.80 -1.54 1.11 1.55 0.23 0.00 0.00 176.35 178.50 1ngr h PRO 341 N 12.88 -0.91 0.00 1.29 0.13 -1.87 -3.47 132.00 140.05 1ngr h PRO 341 Ca -0.44 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1ngr h PRO 341 Cb 1.23 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.57 1ngr h PRO 341 CO 0.96 -0.61 0.00 -0.11 -0.23 0.00 0.00 178.00 178.01 1ngr n LEU 342 N -5.30 -0.01 0.09 1.56 7.94 -1.26 -4.97 117.00 115.04 1ngr n LEU 342 Ca -0.12 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.66 1ngr n LEU 342 Cb 0.37 0.28 -0.07 0.00 0.53 0.00 0.00 43.42 44.53 1ngr n LEU 342 CO 0.28 -0.50 0.83 0.71 -1.11 0.00 0.00 177.39 177.61 1ngr h THR 343 N 0.00 0.91 -0.91 1.96 1.35 -2.01 0.12 112.91 114.33 1ngr h THR 343 Ca 0.00 -0.01 0.08 0.00 -0.55 0.00 0.00 66.41 65.92 1ngr h THR 343 Cb 0.00 0.91 -0.06 0.00 -1.73 0.00 0.00 68.15 67.27 1ngr h THR 343 CO 0.00 0.00 0.59 0.50 -0.25 0.00 0.00 175.52 176.36 1ngr h LYS 344 N -0.14 0.96 -0.48 4.72 1.63 -1.96 -1.76 116.57 119.55 1ngr h LYS 344 Ca -0.01 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.75 1ngr h LYS 344 Cb 0.11 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 1ngr h LYS 344 CO 0.02 0.64 0.32 0.00 -3.45 0.00 0.00 179.45 176.98 1ngr h ARG 345 N 0.99 0.58 -0.26 1.90 3.08 -1.12 0.60 114.38 120.15 1ngr h ARG 345 Ca 0.40 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 60.25 1ngr h ARG 345 Cb 0.27 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1ngr h ARG 345 CO -0.16 0.38 -0.50 0.93 -1.07 0.00 0.00 179.97 179.55 1ngr h GLU 346 N 0.60 0.80 -0.59 0.04 5.08 -0.89 0.24 114.58 119.85 1ngr h GLU 346 Ca 0.18 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 1ngr h GLU 346 Cb 0.01 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1ngr h GLU 346 CO -0.04 1.14 0.34 1.49 -1.00 0.00 0.00 179.01 180.94 1ngr h GLU 347 N 0.55 0.81 0.00 2.33 4.22 -1.16 -2.65 114.58 118.68 1ngr h GLU 347 Ca 0.01 -0.07 -0.13 0.00 0.08 0.00 0.00 59.36 59.25 1ngr h GLU 347 Cb 1.11 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1ngr h GLU 347 CO 0.11 0.58 -0.60 0.28 -2.18 0.00 0.00 179.01 177.20 1ngr h VAL 348 N 0.82 1.30 -0.81 0.32 2.07 -0.52 -2.68 116.25 116.75 1ngr h VAL 348 Ca 0.21 -2.17 0.10 0.00 0.82 0.00 0.00 66.70 65.67 1ngr h VAL 348 Cb -0.00 2.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 1ngr h VAL 348 CO -0.04 0.59 0.53 -0.33 0.02 0.00 0.00 177.57 178.34 1ngr h GLU 349 N 0.00 0.69 0.00 1.57 5.08 -0.15 0.48 114.58 122.25 1ngr h GLU 349 Ca -0.01 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1ngr h GLU 349 Cb 1.17 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1ngr h GLU 349 CO 0.08 0.46 -0.42 -0.22 -1.00 0.00 0.00 179.01 177.91 1ngr h LYS 350 N 0.72 0.00 0.00 2.33 3.11 -1.49 -3.23 116.57 118.01 1ngr h LYS 350 Ca 0.38 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.22 1ngr h LYS 350 Cb 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.72 1ngr h LYS 350 CO -0.15 0.42 -0.06 -0.07 -2.81 0.00 0.00 179.45 176.78 1ngr h LEU 351 N 0.00 0.00 -5.65 5.20 3.38 -0.50 -3.37 115.31 114.37 1ngr h LEU 351 Ca -0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 1ngr h LEU 351 Cb 0.90 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.67 1ngr h LEU 351 CO 0.05 0.44 2.37 0.18 0.09 0.00 0.00 178.44 181.57 1ngr n LEU 352 N -4.24 4.19 -4.54 1.67 4.77 0.14 -4.91 117.00 114.08 1ngr n LEU 352 Ca -0.01 -2.65 -0.29 0.00 -0.03 0.00 0.00 56.01 53.03 1ngr n LEU 352 Cb 0.03 -1.02 0.23 0.00 -2.33 0.00 0.00 43.42 40.33 1ngr n LEU 352 CO 0.01 0.25 0.56 0.54 -1.33 0.00 0.00 177.39 177.42 1ngr s ASN 353 N 3.83 1.51 -0.24 -1.43 4.22 -1.22 -4.16 114.94 117.45 1ngr s ASN 353 Ca 0.37 1.65 -0.25 0.00 -2.14 0.00 0.00 52.86 52.49 1ngr s ASN 353 Cb 0.09 -2.34 -0.27 0.00 1.28 0.00 0.00 41.25 40.01 1ngr s ASN 353 CO -0.01 -3.90 1.65 0.61 -2.04 0.00 0.00 177.10 173.42 1ngr n GLY 354 N 0.54 1.28 0.00 0.45 0.00 -1.26 -1.66 105.19 104.54 1ngr n GLY 354 Ca 0.05 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 8.06 0.00 -0.27 1.61 2.03 -1.26 -4.97 116.55 121.74 1ngr n ASP 355 Ca 0.44 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.69 1ngr n ASP 355 Cb 0.37 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.83 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 1.24 -0.22 5.18 2.02 -1.72 -1.99 112.91 117.41 1ngr h THR 356 Ca 0.00 -0.65 0.06 0.00 0.77 0.00 0.00 66.41 66.59 1ngr h THR 356 Cb 0.00 0.28 -0.07 0.00 -1.74 0.00 0.00 68.15 66.63 1ngr h THR 356 CO 0.00 0.28 -0.23 4.11 0.37 0.00 0.00 175.52 180.05 1ngr h TRP 357 N 1.05 -0.61 -0.90 3.16 5.08 -1.48 -2.08 115.95 120.18 1ngr h TRP 357 Ca 0.26 0.04 0.18 0.00 1.08 0.00 0.00 58.89 60.45 1ngr h TRP 357 Cb 0.10 0.30 -0.17 0.00 -3.00 0.00 0.00 29.16 26.39 1ngr h TRP 357 CO 0.01 -0.31 -0.21 0.00 -1.28 0.00 0.00 178.44 176.64 1ngr h ARG 358 N -0.25 0.00 0.21 0.12 3.08 -1.62 0.36 114.38 116.29 1ngr h ARG 358 Ca 0.13 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.19 1ngr h ARG 358 Cb 0.45 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 1ngr h ARG 358 CO -0.36 0.00 -0.32 0.45 -1.07 0.00 0.00 179.97 178.67 1ngr h HIS 359 N 0.00 -0.86 -0.95 3.04 3.86 -1.07 -2.62 115.15 116.55 1ngr h HIS 359 Ca 0.44 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.71 1ngr h HIS 359 Cb 0.67 0.35 -0.06 0.00 1.06 0.00 0.00 27.41 29.44 1ngr h HIS 359 CO -0.69 -0.44 0.62 1.25 0.86 0.00 0.00 177.93 179.53 1ngr h LEU 360 N -0.60 1.01 -0.52 2.43 5.85 -0.81 -3.15 115.31 119.53 1ngr h LEU 360 Ca 0.01 -0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.83 1ngr h LEU 360 Cb 0.59 -0.22 -0.09 0.00 0.37 0.00 0.00 40.66 41.31 1ngr h LEU 360 CO -0.13 0.68 -0.01 0.00 -0.34 0.00 0.00 178.44 178.64 1ngr h ALA 361 N 1.46 0.48 -0.77 1.25 0.00 0.07 0.03 119.26 121.78 1ngr h ALA 361 Ca 0.39 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.41 1ngr h ALA 361 Cb 0.08 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1ngr h ALA 361 CO -0.13 -0.39 0.30 0.78 0.00 0.00 0.00 179.25 179.80 1ngr h GLY 362 N 0.10 1.23 2.00 0.00 0.00 -1.53 -2.48 103.07 102.40 1ngr h GLY 362 Ca 0.26 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1ngr h GLY 362 CO -0.44 0.63 -0.02 0.83 0.00 0.00 0.00 176.54 177.54 1ngr h GLU 363 N 1.12 0.00 -1.15 4.80 4.39 -1.08 -2.40 114.58 120.26 1ngr h GLU 363 Ca 0.26 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.71 1ngr h GLU 363 Cb 0.22 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 28.74 1ngr h GLU 363 CO -0.02 0.02 0.32 1.28 -1.16 0.00 0.00 179.01 179.45 1ngr n LEU 364 N -3.18 5.12 -2.34 1.33 4.77 -0.31 -4.88 117.00 117.52 1ngr n LEU 364 Ca -0.01 -2.65 -0.12 0.00 -0.03 0.00 0.00 56.01 53.20 1ngr n LEU 364 Cb 0.22 -0.76 -0.01 0.00 -2.33 0.00 0.00 43.42 40.54 1ngr n LEU 364 CO 0.25 0.87 -0.15 0.61 -1.33 0.00 0.00 177.39 177.64 1ngr n GLY 365 N -0.05 -0.35 3.27 -0.72 0.00 -0.90 -4.94 105.19 101.49 1ngr n GLY 365 Ca 0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.55 3.28 0.90 1.61 2.02 -1.21 -5.07 117.35 116.33 1ngr s TYR 366 Ca 0.00 -1.47 -0.14 0.00 -0.37 0.00 0.00 57.07 55.10 1ngr s TYR 366 Cb 0.00 -2.43 0.01 0.00 -0.40 0.00 0.00 41.96 39.14 1ngr s TYR 366 CO 0.00 -0.75 0.38 1.04 -1.57 0.00 0.00 175.55 174.64 1ngr n GLN 367 N 4.82 -0.14 0.31 -0.62 6.02 -1.26 -4.04 117.38 122.48 1ngr n GLN 367 Ca -0.12 0.00 0.18 0.00 -0.01 0.00 0.00 57.00 57.06 1ngr n GLN 367 Cb 0.44 -1.81 1.04 0.00 1.02 0.00 0.00 30.24 30.93 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 -1.26 0.00 -0.84 -1.09 0.13 -1.97 0.08 132.00 127.05 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 -0.05 0.00 0.13 0.00 0.00 31.00 32.38 1ngr h PRO 368 CO 0.36 0.00 0.54 0.93 -0.23 0.00 0.00 178.00 179.60 1ngr h GLU 369 N 0.00 1.03 -0.20 0.86 3.07 -1.99 0.03 114.58 117.38 1ngr h GLU 369 Ca 0.00 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 58.71 1ngr h GLU 369 Cb 0.02 -0.23 -0.00 0.00 -0.84 0.00 0.00 28.75 27.70 1ngr h GLU 369 CO -0.00 0.68 -0.23 0.45 -1.40 0.00 0.00 179.01 178.51 1ngr h HIS 370 N 1.07 0.62 -0.18 4.33 3.86 -1.30 -2.11 115.15 121.43 1ngr h HIS 370 Ca 0.33 -0.19 0.03 0.00 -1.16 0.00 0.00 60.37 59.37 1ngr h HIS 370 Cb -0.03 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 1ngr h HIS 370 CO -0.02 0.88 0.02 0.82 0.86 0.00 0.00 177.93 180.49 1ngr h ILE 371 N 0.18 0.90 -0.11 2.45 2.04 -1.06 0.15 117.51 122.06 1ngr h ILE 371 Ca 0.03 -0.03 -0.12 0.00 1.00 0.00 0.00 64.86 65.74 1ngr h ILE 371 Cb 0.79 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1ngr h ILE 371 CO 0.06 0.02 -0.45 0.44 0.00 0.00 0.00 178.15 178.21 1ngr h ASP 372 N 0.09 0.28 0.73 1.72 3.32 -1.09 -2.59 116.42 118.88 1ngr h ASP 372 Ca 0.08 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1ngr h ASP 372 Cb 0.09 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1ngr h ASP 372 CO -0.12 0.70 0.00 -1.20 -1.72 0.00 0.00 179.24 176.89 1ngr n SER 373 N -3.99 0.26 -0.01 6.45 7.64 -0.66 -2.60 113.62 120.70 1ngr n SER 373 Ca -0.02 0.55 -0.09 0.00 1.01 0.00 0.00 58.87 60.33 1ngr n SER 373 Cb 0.51 -0.61 -0.14 0.00 -1.01 0.00 0.00 64.21 62.96 1ngr n SER 373 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1ngr h PHE 374 N 0.00 0.02 -0.00 1.43 0.04 -0.59 -3.24 116.94 114.60 1ngr h PHE 374 Ca 0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1ngr h PHE 374 Cb 0.37 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.51 1ngr h PHE 374 CO 0.00 1.03 0.00 -2.37 -0.60 0.00 0.00 178.31 176.37 1ngr n THR 375 N -3.10 0.00 0.12 -1.55 5.66 -1.07 -3.08 114.28 111.26 1ngr n THR 375 Ca -0.15 -0.02 -0.21 0.00 -3.05 0.00 0.00 64.05 60.62 1ngr n THR 375 Cb 1.04 -0.39 -0.14 0.00 -1.55 0.00 0.00 70.33 69.28 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 0.21 0.81 -2.36 1.09 3.86 -1.57 -3.45 115.15 113.73 1ngr h HIS 376 Ca 0.00 -0.57 -0.47 0.00 -1.16 0.00 0.00 60.37 58.17 1ngr h HIS 376 Cb 0.04 -0.04 0.23 0.00 1.06 0.00 0.00 27.41 28.71 1ngr h HIS 376 CO 0.00 1.44 -1.14 0.39 0.86 0.00 0.00 177.93 179.47 1ngr n GLU 377 N -3.67 -1.33 -0.24 2.45 -0.58 -1.18 -4.90 120.64 111.20 1ngr n GLU 377 Ca -0.13 -0.37 0.03 0.00 -0.42 0.00 0.00 57.16 56.27 1ngr n GLU 377 Cb 1.05 -1.66 0.12 0.00 -0.57 0.00 0.00 31.44 30.37 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 -1.93 0.62 -2.63 0.62 0.00 -1.91 -3.39 119.26 110.65 1ngr h ALA 378 Ca -0.51 0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 1ngr h ALA 378 Cb 1.35 0.45 -0.18 0.00 0.00 0.00 0.00 17.79 19.41 1ngr h ALA 378 CO 0.37 -0.42 -0.53 0.00 0.00 0.00 0.00 179.25 178.67 1ngr n PRO 380 N 0.88 0.00 -0.33 0.00 -0.04 -1.23 -3.08 135.00 131.21 1ngr n PRO 380 Ca -0.20 0.03 0.26 0.00 -0.04 0.00 0.00 63.50 63.56 1ngr n PRO 380 Cb 0.58 -0.96 0.49 0.00 -0.04 0.00 0.00 33.50 33.58 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 0.62 0.52 2.07 -1.89 0.43 116.25 118.10 1ngr h VAL 381 Ca 0.00 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 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 -0.30 0.03 0.02 0.00 0.00 177.57 177.34 1ngr h ARG 382 N 0.10 -0.80 0.00 1.57 3.08 -1.87 -1.42 114.38 115.03 1ngr h ARG 382 Ca 0.76 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.87 1ngr h ARG 382 Cb 1.87 0.18 0.00 0.00 0.08 0.00 0.00 29.97 32.10 1ngr h ARG 382 CO -0.74 -0.51 -0.04 0.00 -1.07 0.00 0.00 179.97 177.60 1ngr n ALA 383 N -2.49 2.38 -0.03 0.04 0.00 -0.18 -2.27 120.51 117.96 1ngr n ALA 383 Ca -0.13 -0.08 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 1ngr n ALA 383 Cb 0.35 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.26 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 0.09 -0.19 0.00 5.85 -0.13 -0.91 115.31 120.02 1ngr h LEU 384 Ca 0.00 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1ngr h LEU 384 Cb 0.61 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1ngr h LEU 384 CO 0.00 0.60 0.00 -0.07 -0.34 0.00 0.00 178.44 178.63 1ngr h LEU 385 N -0.41 0.00 -0.28 2.25 3.38 -1.26 0.17 115.31 119.16 1ngr h LEU 385 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 1ngr h LEU 385 Cb 0.58 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1ngr h LEU 385 CO 0.01 0.00 -0.48 0.00 0.09 0.00 0.00 178.44 178.06 1ngr h ALA 386 N 2.14 0.43 0.02 1.53 0.00 -1.33 -3.36 119.26 118.68 1ngr h ALA 386 Ca 0.00 -0.49 -0.22 0.00 0.00 0.00 0.00 54.91 54.20 1ngr h ALA 386 Cb 0.86 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1ngr h ALA 386 CO 0.00 0.60 -1.20 1.03 0.00 0.00 0.00 179.25 179.68 1ngr h SER 387 N 0.58 0.06 -0.63 0.00 0.87 -0.64 -3.34 113.55 110.45 1ngr h SER 387 Ca 0.02 -0.62 0.18 0.00 -1.23 0.00 0.00 61.79 60.14 1ngr h SER 387 Cb 1.08 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 63.00 1ngr h SER 387 CO 0.11 1.48 0.49 -0.25 -0.53 0.00 0.00 176.83 178.13 1ngr h TRP 388 N -0.87 0.00 0.00 2.24 7.01 -0.91 -1.13 115.95 122.29 1ngr h TRP 388 Ca -0.32 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.68 1ngr h TRP 388 Cb 1.36 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.42 1ngr h TRP 388 CO 0.12 0.00 0.00 0.41 -2.79 0.00 0.00 178.44 176.18 1ngr n GLY 389 N -1.63 -0.50 0.24 2.65 0.00 -1.25 -0.80 105.19 103.90 1ngr n GLY 389 Ca 0.12 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.30 3.16 -1.56 4.61 0.00 -0.43 -4.84 120.51 120.14 1ngr n ALA 390 Ca 0.03 -0.41 -0.31 0.00 0.00 0.00 0.00 53.44 52.74 1ngr n ALA 390 Cb 0.05 -1.11 0.05 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.55 2.85 0.11 0.00 -0.21 0.02 -4.99 119.66 114.89 1ngr s GLN 391 Ca 0.23 0.93 -0.32 0.00 0.02 0.00 0.00 55.36 56.22 1ngr s GLN 391 Cb 0.19 -1.98 -0.12 0.00 1.00 0.00 0.00 33.01 32.09 1ngr s GLN 391 CO 0.54 -1.15 1.52 0.22 -2.12 0.00 0.00 175.29 174.30 1ngr h ASP 392 N -0.76 -1.64 -0.96 5.90 3.58 -1.91 -3.17 116.42 117.47 1ngr h ASP 392 Ca -0.44 0.19 -0.48 0.00 0.42 0.00 0.00 57.03 56.73 1ngr h ASP 392 Cb 1.22 0.64 -0.42 0.00 1.72 0.00 0.00 39.33 42.49 1ngr h ASP 392 CO 0.57 -0.46 -0.90 -1.54 -2.88 0.00 0.00 179.24 174.02 1ngr n SER 393 N -5.29 3.76 -2.59 2.28 3.41 -1.26 -4.97 113.62 108.96 1ngr n SER 393 Ca -0.06 -3.28 -0.06 0.00 -0.26 0.00 0.00 58.87 55.21 1ngr n SER 393 Cb 0.36 -0.43 -0.04 0.00 -0.26 0.00 0.00 64.21 63.84 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 -0.53 2.77 -1.24 7.33 0.00 -1.20 -4.59 120.51 123.05 1ngr n ALA 394 Ca 0.31 -0.73 -0.31 0.00 0.00 0.00 0.00 53.44 52.70 1ngr n ALA 394 Cb 0.83 -2.43 0.09 0.00 0.00 0.00 0.00 19.45 17.94 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 2.95 3.19 0.32 0.00 -4.23 -1.26 -2.14 115.64 114.47 1ngr s THR 395 Ca 0.21 0.41 0.06 0.00 -1.18 0.00 0.00 61.69 61.18 1ngr s THR 395 Cb 0.08 -2.86 0.31 0.00 1.34 0.00 0.00 72.50 71.37 1ngr s THR 395 CO -0.01 -0.48 1.85 0.25 -0.54 0.00 0.00 174.62 175.69 1ngr h LEU 396 N -1.03 0.78 -1.59 4.79 7.12 -1.12 -2.41 115.31 121.85 1ngr h LEU 396 Ca -0.44 0.05 -0.02 0.00 0.13 0.00 0.00 57.88 57.60 1ngr h LEU 396 Cb 1.24 -0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 41.26 1ngr h LEU 396 CO 0.51 0.39 -0.08 0.44 -0.13 0.00 0.00 178.44 179.56 1ngr h ASP 397 N 0.82 0.00 0.05 1.25 5.19 -1.92 0.34 116.42 122.15 1ngr h ASP 397 Ca 0.48 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.80 1ngr h ASP 397 Cb 0.64 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.16 1ngr h ASP 397 CO -0.24 0.08 -0.36 0.00 -3.12 0.00 0.00 179.24 175.60 1ngr h ALA 398 N 1.92 -0.02 -0.45 3.45 0.00 -1.69 -1.84 119.26 120.63 1ngr h ALA 398 Ca -0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 54.91 54.24 1ngr h ALA 398 Cb 0.50 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1ngr h ALA 398 CO 0.01 0.16 -0.15 1.25 0.00 0.00 0.00 179.25 180.52 1ngr h LEU 399 N -0.64 0.85 -0.34 0.00 6.46 -1.27 0.58 115.31 120.96 1ngr h LEU 399 Ca -0.06 -0.28 0.02 0.00 -0.12 0.00 0.00 57.88 57.44 1ngr h LEU 399 Cb 1.24 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.91 1ngr h LEU 399 CO 0.07 1.00 0.19 0.25 -0.62 0.00 0.00 178.44 179.32 1ngr h LEU 400 N 0.75 0.29 -0.29 2.25 6.46 -1.03 0.10 115.31 123.85 1ngr h LEU 400 Ca 0.12 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.85 1ngr h LEU 400 Cb 0.67 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 1ngr h LEU 400 CO 0.05 0.21 0.05 0.00 -0.62 0.00 0.00 178.44 178.13 1ngr h ALA 401 N 1.16 0.38 -0.56 1.25 0.00 -1.01 -2.48 119.26 118.00 1ngr h ALA 401 Ca 0.14 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1ngr h ALA 401 Cb 0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1ngr h ALA 401 CO -0.07 0.06 0.32 0.00 0.00 0.00 0.00 179.25 179.56 1ngr h ALA 402 N 0.88 0.73 -0.52 0.00 0.00 -0.56 -1.24 119.26 118.54 1ngr h ALA 402 Ca 0.09 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1ngr h ALA 402 Cb 0.33 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 1ngr h ALA 402 CO 0.00 0.02 0.23 -0.07 0.00 0.00 0.00 179.25 179.43 1ngr h LEU 403 N 0.62 0.30 -1.67 0.00 3.38 -0.95 -2.64 115.31 114.35 1ngr h LEU 403 Ca 0.24 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 1ngr h LEU 403 Cb 0.08 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1ngr h LEU 403 CO -0.13 0.20 -0.19 -0.09 0.09 0.00 0.00 178.44 178.33 1ngr h ARG 404 N 0.45 0.00 -0.47 1.13 2.43 -0.77 -1.72 114.38 115.43 1ngr h ARG 404 Ca 0.24 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.50 1ngr h ARG 404 Cb 0.20 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 29.68 1ngr h ARG 404 CO -0.20 0.19 -0.01 0.00 -1.51 0.00 0.00 179.97 178.44 1ngr h ARG 405 N 0.00 0.10 -0.87 0.20 3.08 -0.98 -1.98 114.38 113.93 1ngr h ARG 405 Ca -0.00 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1ngr h ARG 405 Cb 0.37 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1ngr h ARG 405 CO 0.02 0.07 0.07 0.44 -1.07 0.00 0.00 179.97 179.50 1ngr n ILE 406 N -5.23 1.38 -1.22 2.04 -0.00 -0.67 -4.86 119.36 110.80 1ngr n ILE 406 Ca 0.05 -0.66 -0.09 0.00 -0.00 0.00 0.00 62.75 62.05 1ngr n ILE 406 Cb 0.25 -0.50 -0.04 0.00 -0.00 0.00 0.00 39.64 39.35 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 0.15 -1.28 -1.23 6.28 10.64 -0.74 -4.85 117.38 126.34 1ngr n GLN 407 Ca 0.15 0.55 -0.31 0.00 -1.83 0.00 0.00 57.00 55.56 1ngr n GLN 407 Cb 0.75 -4.67 -0.07 0.00 -0.86 0.00 0.00 30.24 25.39 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 -1.47 3.23 0.19 2.61 5.12 -1.03 -4.58 116.66 120.72 1ngr n ARG 408 Ca -0.09 -1.88 0.14 0.00 -1.93 0.00 0.00 57.85 54.09 1ngr n ARG 408 Cb 0.32 -2.57 0.43 0.00 -1.16 0.00 0.00 32.46 29.47 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 4.42 1.00 -0.16 7.54 0.00 -1.88 -3.23 119.26 126.95 1ngr h ALA 409 Ca 0.68 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.59 1ngr h ALA 409 Cb 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1ngr h ALA 409 CO 1.34 0.00 0.09 0.38 0.00 0.00 0.00 179.25 181.06 1ngr h ASP 410 N 0.00 0.20 -0.19 0.00 2.03 -1.97 -2.88 116.42 113.60 1ngr h ASP 410 Ca 0.00 -0.07 -0.05 0.00 -0.73 0.00 0.00 57.03 56.17 1ngr h ASP 410 Cb 0.68 -0.05 -0.02 0.00 -0.83 0.00 0.00 39.33 39.11 1ngr h ASP 410 CO 0.00 0.22 -0.04 0.40 -1.03 0.00 0.00 179.24 178.79 1ngr h ILE 411 N 0.17 1.20 0.46 4.15 2.04 -1.91 -3.10 117.51 120.53 1ngr h ILE 411 Ca 0.06 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 1ngr h ILE 411 Cb 0.06 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1ngr h ILE 411 CO -0.01 0.28 -0.22 0.58 0.00 0.00 0.00 178.15 178.78 1ngr h VAL 412 N 0.48 0.54 -0.53 1.67 2.07 -1.62 0.44 116.25 119.29 1ngr h VAL 412 Ca 0.10 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 1ngr h VAL 412 Cb 0.37 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1ngr h VAL 412 CO 0.02 0.02 0.26 -0.33 0.02 0.00 0.00 177.57 177.56 1ngr h GLU 413 N -0.69 0.74 0.00 1.57 3.07 -1.61 -2.57 114.58 115.10 1ngr h GLU 413 Ca -0.06 -0.09 -0.08 0.00 -0.50 0.00 0.00 59.36 58.63 1ngr h GLU 413 Cb 0.51 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1ngr h GLU 413 CO 0.10 0.57 -0.38 1.03 -1.40 0.00 0.00 179.01 178.93 1ngr h SER 414 N 0.74 0.00 -0.09 1.42 0.87 -1.33 -2.62 113.55 112.55 1ngr h SER 414 Ca 0.19 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.77 1ngr h SER 414 Cb 0.07 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 1ngr h SER 414 CO -0.03 0.38 -0.06 -0.07 -0.53 0.00 0.00 176.83 176.53 1ngr h LEU 415 N 0.00 -0.18 0.20 2.23 3.38 0.27 -3.23 115.31 117.97 1ngr h LEU 415 Ca -0.00 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1ngr h LEU 415 Cb 0.74 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 1ngr h LEU 415 CO 0.05 -0.08 -0.47 0.00 0.09 0.00 0.00 178.44 178.03 1ngr n SER 417 N -5.49 0.00 0.00 0.00 2.88 -1.18 -5.15 113.62 104.68 1ngr n SER 417 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1ngr n SER 417 Cb 0.41 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 1ngr n SER 417 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02