#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jfa h LEU 306 N 0.00 -0.26 -1.11 2.46 -0.00 -2.03 -3.04 115.31 111.33 2jfa h LEU 306 Ca 0.00 0.14 0.08 0.00 -0.00 0.00 0.00 57.88 58.10 2jfa h LEU 306 Cb 0.00 0.25 -0.07 0.00 -0.00 0.00 0.00 40.66 40.84 2jfa h LEU 306 CO 0.00 -0.10 0.61 0.00 -0.00 0.00 0.00 178.44 178.95 2jfa h ALA 307 N 1.50 1.52 -0.00 0.17 0.00 -1.99 -2.09 119.26 118.36 2jfa h ALA 307 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2jfa h ALA 307 Cb 0.44 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jfa h ALA 307 CO -0.47 0.32 -0.08 1.28 0.00 0.00 0.00 179.25 180.30 2jfa n LEU 308 N -4.52 0.33 -0.25 0.00 4.77 -1.15 -3.45 117.00 112.72 2jfa n LEU 308 Ca 0.15 0.07 0.11 0.00 -0.03 0.00 0.00 56.01 56.32 2jfa n LEU 308 Cb 0.24 -0.20 0.04 0.00 -2.33 0.00 0.00 43.42 41.17 2jfa n LEU 308 CO 0.32 0.06 0.26 -1.54 -1.33 0.00 0.00 177.39 175.15 2jfa n SER 309 N -1.04 1.41 -4.76 -1.43 3.41 -0.79 -4.97 113.62 105.46 2jfa n SER 309 Ca 0.15 -1.14 -0.40 0.00 -0.26 0.00 0.00 58.87 57.22 2jfa n SER 309 Cb 0.26 0.57 -0.04 0.00 -0.26 0.00 0.00 64.21 64.74 2jfa n SER 309 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2jfa s LEU 310 N -2.70 4.53 0.79 1.04 1.43 -1.22 -5.04 118.68 117.50 2jfa s LEU 310 Ca 0.15 2.30 -0.11 0.00 -1.03 0.00 0.00 54.13 55.44 2jfa s LEU 310 Cb 0.18 -3.63 0.06 0.00 0.03 0.00 0.00 46.19 42.83 2jfa s LEU 310 CO 0.67 -0.20 1.10 0.42 0.23 0.00 0.00 176.35 178.57 2jfa s THR 311 N -1.04 3.12 0.15 5.49 -4.23 -1.26 -4.83 115.64 113.04 2jfa s THR 311 Ca 0.46 0.36 -0.20 0.00 -1.18 0.00 0.00 61.69 61.13 2jfa s THR 311 Cb -0.33 -3.13 0.03 0.00 1.34 0.00 0.00 72.50 70.42 2jfa s THR 311 CO 0.42 -0.47 1.66 0.00 -0.54 0.00 0.00 174.62 175.68 2jfa h ALA 312 N -1.04 0.06 -0.89 3.99 0.00 -1.94 0.98 119.26 120.41 2jfa h ALA 312 Ca -0.47 0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.64 2jfa h ALA 312 Cb 1.27 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 19.32 2jfa h ALA 312 CO 0.60 -0.55 0.53 -0.44 0.00 0.00 0.00 179.25 179.39 2jfa h ASP 313 N -0.12 0.78 -0.49 0.00 3.32 -1.96 -1.68 116.42 116.27 2jfa h ASP 313 Ca 0.14 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 2jfa h ASP 313 Cb 0.33 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 2jfa h ASP 313 CO -0.34 0.44 0.07 1.56 -1.72 0.00 0.00 179.24 179.25 2jfa h GLN 314 N 0.88 0.82 -0.41 3.56 4.20 -1.66 -1.78 115.11 120.72 2jfa h GLN 314 Ca 0.43 -0.23 0.03 0.00 0.06 0.00 0.00 58.65 58.94 2jfa h GLN 314 Cb 0.38 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 2jfa h GLN 314 CO -0.24 0.83 0.21 1.98 -0.67 0.00 0.00 178.83 180.93 2jfa h MET 315 N 0.69 0.42 -0.34 1.46 4.05 -0.36 -0.10 114.93 120.75 2jfa h MET 315 Ca 0.15 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.52 2jfa h MET 315 Cb 0.41 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 2jfa h MET 315 CO 0.01 0.28 0.14 0.28 0.23 0.00 0.00 176.91 177.85 2jfa h VAL 316 N 0.43 1.18 -0.25 -5.77 2.07 -1.16 -0.68 116.25 112.08 2jfa h VAL 316 Ca 0.17 -0.57 0.04 0.00 0.82 0.00 0.00 66.70 67.17 2jfa h VAL 316 Cb 0.06 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 2jfa h VAL 316 CO -0.11 0.20 -0.01 0.28 0.02 0.00 0.00 177.57 177.95 2jfa h SER 317 N 0.40 -0.12 -0.25 0.57 0.02 -1.16 0.21 113.55 113.23 2jfa h SER 317 Ca 0.11 0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.17 2jfa h SER 317 Cb 0.18 0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.78 2jfa h SER 317 CO -0.01 -0.03 -0.06 0.00 -1.14 0.00 0.00 176.83 175.59 2jfa h ALA 318 N 1.22 0.17 -0.65 3.77 0.00 -0.58 -0.35 119.26 122.83 2jfa h ALA 318 Ca 0.12 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 2jfa h ALA 318 Cb 0.16 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2jfa h ALA 318 CO -0.21 -0.47 0.11 -0.07 0.00 0.00 0.00 179.25 178.61 2jfa h LEU 319 N 0.00 1.03 -0.39 0.00 3.38 -0.83 -0.66 115.31 117.84 2jfa h LEU 319 Ca 0.12 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 2jfa h LEU 319 Cb 0.18 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2jfa h LEU 319 CO -0.25 1.03 0.14 -0.07 0.09 0.00 0.00 178.44 179.37 2jfa h LEU 320 N 0.99 0.56 -1.65 1.67 3.38 -0.27 -2.83 115.31 117.17 2jfa h LEU 320 Ca 0.20 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2jfa h LEU 320 Cb 0.44 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2jfa h LEU 320 CO 0.01 0.61 -0.20 0.44 0.09 0.00 0.00 178.44 179.39 2jfa h ASP 321 N 0.49 0.00 0.86 -0.43 5.19 -0.85 -2.91 116.42 118.78 2jfa h ASP 321 Ca 0.13 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 2jfa h ASP 321 Cb 0.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.74 2jfa h ASP 321 CO -0.01 0.20 0.00 0.00 -3.12 0.00 0.00 179.24 176.31 2jfa n ALA 322 N -2.41 1.77 -1.71 3.45 0.00 -0.28 -4.93 120.51 116.41 2jfa n ALA 322 Ca -0.02 0.07 -0.43 0.00 0.00 0.00 0.00 53.44 53.06 2jfa n ALA 322 Cb 0.28 -1.40 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 2jfa n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jfa n GLU 323 N -2.25 2.23 -1.66 0.00 -0.58 -1.10 -4.71 120.64 112.57 2jfa n GLU 323 Ca 0.03 0.78 -0.30 0.00 -0.42 0.00 0.00 57.16 57.25 2jfa n GLU 323 Cb 0.26 -2.42 0.07 0.00 -0.57 0.00 0.00 31.44 28.79 2jfa n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2jfa s PRO 324 N -1.42 2.45 0.60 3.49 0.04 -1.26 -5.01 135.00 133.89 2jfa s PRO 324 Ca 0.59 0.63 -0.18 0.00 0.04 0.00 0.00 61.00 62.07 2jfa s PRO 324 Cb -0.57 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 2jfa s PRO 324 CO 0.58 -1.36 1.20 -1.25 0.04 0.00 0.00 177.00 176.21 2jfa s PRO 325 N -5.20 2.91 -0.25 0.56 0.04 -1.26 -5.00 135.00 126.80 2jfa s PRO 325 Ca 0.60 1.80 -0.23 0.00 0.04 0.00 0.00 61.00 63.20 2jfa s PRO 325 Cb -0.13 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 2jfa s PRO 325 CO 0.54 -1.24 0.77 0.42 0.04 0.00 0.00 177.00 177.53 2jfa s ILE 326 N -1.66 4.87 0.16 0.56 -1.09 -1.26 -5.03 121.20 117.75 2jfa s ILE 326 Ca 0.77 1.42 -0.09 0.00 -2.23 0.00 0.00 60.65 60.52 2jfa s ILE 326 Cb -0.30 -4.07 -0.06 0.00 -1.58 0.00 0.00 42.46 36.45 2jfa s ILE 326 CO 0.34 -0.06 0.46 -0.76 -1.23 0.00 0.00 174.94 173.69 2jfa s LEU 327 N 2.76 4.26 0.02 2.97 1.43 -1.26 -5.03 118.68 123.84 2jfa s LEU 327 Ca 0.32 0.81 -0.04 0.00 -1.03 0.00 0.00 54.13 54.20 2jfa s LEU 327 Cb -0.15 -3.35 -0.05 0.00 0.03 0.00 0.00 46.19 42.68 2jfa s LEU 327 CO 0.08 0.05 0.25 -0.31 0.23 0.00 0.00 176.35 176.64 2jfa s TYR 328 N -1.62 3.55 0.93 0.29 1.51 -1.26 -4.39 117.35 116.37 2jfa s TYR 328 Ca 0.41 0.46 -0.13 0.00 -1.01 0.00 0.00 57.07 56.79 2jfa s TYR 328 Cb -0.13 -1.91 0.15 0.00 -0.11 0.00 0.00 41.96 39.97 2jfa s TYR 328 CO 0.21 0.60 1.17 0.45 -1.11 0.00 0.00 175.55 176.87 2jfa s SER 329 N -1.96 3.32 0.00 2.29 0.15 -1.26 -4.99 113.70 111.25 2jfa s SER 329 Ca 0.30 0.81 0.26 0.00 0.70 0.00 0.00 55.95 58.02 2jfa s SER 329 Cb -0.13 -1.27 0.64 0.00 -1.71 0.00 0.00 66.02 63.55 2jfa s SER 329 CO 0.19 -2.65 1.50 -0.62 1.20 0.00 0.00 173.24 172.86 2jfa n GLU 330 N -3.81 1.20 -0.50 5.44 1.02 -1.26 -5.01 120.64 117.73 2jfa n GLU 330 Ca 0.09 -0.80 -0.18 0.00 -0.02 0.00 0.00 57.16 56.24 2jfa n GLU 330 Cb 0.60 -1.48 0.02 0.00 -0.02 0.00 0.00 31.44 30.55 2jfa n GLU 330 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2jfa n TYR 331 N -0.20 -2.13 -3.04 -0.32 4.02 -1.26 -5.19 117.16 109.04 2jfa n TYR 331 Ca 0.13 0.07 -0.10 0.00 -0.01 0.00 0.00 57.90 57.99 2jfa n TYR 331 Cb 0.39 -0.70 0.01 0.00 -0.02 0.00 0.00 39.34 39.02 2jfa n TYR 331 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2jfa n PRO 336 N 1.24 -2.07 -2.46 -0.72 -0.04 -1.26 -5.21 135.00 124.48 2jfa n PRO 336 Ca -0.01 1.82 -0.23 0.00 -0.04 0.00 0.00 63.50 65.04 2jfa n PRO 336 Cb 0.30 -3.59 0.06 0.00 -0.04 0.00 0.00 33.50 30.23 2jfa n PRO 336 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2jfa s PHE 337 N -1.66 2.66 0.30 0.54 0.08 -1.26 -5.01 117.98 113.62 2jfa s PHE 337 Ca 0.14 0.11 -0.05 0.00 0.12 0.00 0.00 56.93 57.26 2jfa s PHE 337 Cb -0.03 -2.98 0.02 0.00 -0.57 0.00 0.00 43.02 39.47 2jfa s PHE 337 CO 0.60 -1.23 0.48 -1.13 -0.10 0.00 0.00 175.22 173.84 2jfa n SER 338 N -2.65 -1.35 -0.19 1.36 3.41 -1.26 -4.99 113.62 107.94 2jfa n SER 338 Ca 0.09 -2.47 -0.09 0.00 -0.26 0.00 0.00 58.87 56.14 2jfa n SER 338 Cb 0.60 2.41 0.01 0.00 -0.26 0.00 0.00 64.21 66.97 2jfa n SER 338 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2jfa h GLU 339 N 0.00 0.96 0.12 4.33 4.81 -2.00 -3.03 114.58 119.77 2jfa h GLU 339 Ca -0.24 -0.30 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 2jfa h GLU 339 Cb 0.98 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.27 2jfa h GLU 339 CO 0.32 0.96 -0.06 0.00 -0.73 0.00 0.00 179.01 179.50 2jfa h ALA 340 N 0.97 -0.16 -0.36 2.92 0.00 -1.96 -2.08 119.26 118.59 2jfa h ALA 340 Ca 0.16 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2jfa h ALA 340 Cb 0.51 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2jfa h ALA 340 CO 0.02 -0.38 -0.11 0.66 0.00 0.00 0.00 179.25 179.44 2jfa h SER 341 N -0.56 0.72 -0.26 0.00 4.64 -1.95 0.51 113.55 116.64 2jfa h SER 341 Ca -0.02 -0.38 -0.01 0.00 -0.47 0.00 0.00 61.79 60.92 2jfa h SER 341 Cb 0.45 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2jfa h SER 341 CO 0.03 0.93 0.12 -0.03 -0.87 0.00 0.00 176.83 177.01 2jfa h MET 342 N 0.50 0.38 -0.54 4.77 -1.53 -1.64 0.16 114.93 117.03 2jfa h MET 342 Ca 0.09 -0.06 -0.04 0.00 -3.44 0.00 0.00 59.70 56.25 2jfa h MET 342 Cb 0.63 -0.07 -0.03 0.00 -0.55 0.00 0.00 31.60 31.59 2jfa h MET 342 CO 0.04 0.40 0.19 0.52 0.14 0.00 0.00 176.91 178.20 2jfa h MET 343 N 0.28 0.79 -0.06 0.39 2.07 -1.22 0.47 114.93 117.65 2jfa h MET 343 Ca 0.09 -0.13 0.03 0.00 -2.07 0.00 0.00 59.70 57.62 2jfa h MET 343 Cb 0.15 -0.14 -0.04 0.00 -1.87 0.00 0.00 31.60 29.70 2jfa h MET 343 CO -0.01 0.67 -0.15 0.78 1.07 0.00 0.00 176.91 179.27 2jfa h GLY 344 N 0.92 -0.13 0.88 8.32 0.00 0.50 0.23 103.07 113.78 2jfa h GLY 344 Ca 0.18 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 2jfa h GLY 344 CO -0.01 -0.15 0.06 1.41 0.00 0.00 0.00 176.54 177.85 2jfa h LEU 345 N -0.22 0.38 -1.21 3.11 3.38 -0.20 -1.33 115.31 119.23 2jfa h LEU 345 Ca 0.07 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 2jfa h LEU 345 Cb 0.31 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2jfa h LEU 345 CO -0.19 0.51 0.01 -0.07 0.09 0.00 0.00 178.44 178.79 2jfa h LEU 346 N 0.24 0.52 -0.13 1.67 3.38 -0.86 -2.32 115.31 117.81 2jfa h LEU 346 Ca 0.08 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2jfa h LEU 346 Cb 0.28 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2jfa h LEU 346 CO 0.00 0.58 -0.05 0.74 0.09 0.00 0.00 178.44 179.80 2jfa h THR 347 N 0.54 1.31 -0.83 0.22 2.02 -0.39 -0.83 112.91 114.95 2jfa h THR 347 Ca 0.12 -1.05 0.14 0.00 0.77 0.00 0.00 66.41 66.39 2jfa h THR 347 Cb 0.32 1.73 -0.09 0.00 -1.74 0.00 0.00 68.15 68.37 2jfa h THR 347 CO 0.01 0.30 0.42 -1.13 0.37 0.00 0.00 175.52 175.49 2jfa h ASN 348 N -0.06 0.51 0.06 4.18 -0.73 -1.16 -0.57 115.58 117.81 2jfa h ASN 348 Ca 0.03 0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.29 2jfa h ASN 348 Cb 0.50 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.10 2jfa h ASN 348 CO 0.02 0.22 -0.03 0.25 -0.37 0.00 0.00 177.43 177.52 2jfa h LEU 349 N 0.62 -0.07 -0.52 0.34 5.85 -1.29 -2.02 115.31 118.22 2jfa h LEU 349 Ca 0.45 -0.50 0.10 0.00 0.84 0.00 0.00 57.88 58.77 2jfa h LEU 349 Cb 0.61 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.58 2jfa h LEU 349 CO -0.35 0.49 0.00 0.00 -0.34 0.00 0.00 178.44 178.24 2jfa h ALA 350 N 0.19 0.49 -0.56 1.25 0.00 -0.94 0.19 119.26 119.89 2jfa h ALA 350 Ca -0.01 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2jfa h ALA 350 Cb 0.56 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2jfa h ALA 350 CO 0.01 -0.38 0.20 -0.44 0.00 0.00 0.00 179.25 178.64 2jfa h ASP 351 N 0.12 0.79 -0.03 0.00 3.32 -1.10 -0.17 116.42 119.35 2jfa h ASP 351 Ca 0.26 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 2jfa h ASP 351 Cb 0.40 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2jfa h ASP 351 CO -0.43 0.76 -0.28 0.03 -1.72 0.00 0.00 179.24 177.60 2jfa h ARG 352 N 0.77 0.47 -0.27 3.56 3.08 -0.71 -2.71 114.38 118.56 2jfa h ARG 352 Ca 0.18 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 2jfa h ARG 352 Cb 0.24 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2jfa h ARG 352 CO -0.01 0.71 -0.24 0.93 -1.07 0.00 0.00 179.97 180.29 2jfa h GLU 353 N 0.41 0.52 -0.79 0.04 5.08 -0.11 -3.00 114.58 116.73 2jfa h GLU 353 Ca 0.06 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 2jfa h GLU 353 Cb 0.71 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 2jfa h GLU 353 CO 0.05 0.72 0.41 1.25 -1.00 0.00 0.00 179.01 180.45 2jfa h LEU 354 N 0.46 1.00 -1.00 1.33 5.85 -0.73 0.24 115.31 122.46 2jfa h LEU 354 Ca 0.07 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.75 2jfa h LEU 354 Cb 0.66 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 2jfa h LEU 354 CO 0.05 0.83 0.64 0.58 -0.34 0.00 0.00 178.44 180.20 2jfa h VAL 355 N 1.10 1.05 0.00 1.05 2.07 -1.38 -2.03 116.25 118.11 2jfa h VAL 355 Ca 0.27 -0.39 -0.15 0.00 0.82 0.00 0.00 66.70 67.25 2jfa h VAL 355 Cb 0.07 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.63 2jfa h VAL 355 CO -0.04 0.21 -0.71 0.45 0.02 0.00 0.00 177.57 177.50 2jfa h HIS 356 N 1.14 0.00 -0.63 1.57 3.86 -1.20 -3.21 115.15 116.68 2jfa h HIS 356 Ca 0.45 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.59 2jfa h HIS 356 Cb 0.23 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 2jfa h HIS 356 CO -0.00 0.71 0.11 1.98 0.86 0.00 0.00 177.93 181.59 2jfa h MET 357 N 0.00 1.01 -0.15 2.45 -1.53 0.10 -0.74 114.93 116.07 2jfa h MET 357 Ca -0.01 -0.25 -0.00 0.00 -3.44 0.00 0.00 59.70 56.00 2jfa h MET 357 Cb 1.49 -0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 32.41 2jfa h MET 357 CO 0.09 0.92 0.08 0.82 0.14 0.00 0.00 176.91 178.97 2jfa h ILE 358 N 0.95 1.08 -0.72 1.77 2.04 -1.42 0.22 117.51 121.43 2jfa h ILE 358 Ca 0.19 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 2jfa h ILE 358 Cb 0.40 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.40 2jfa h ILE 358 CO 0.01 0.07 0.34 0.78 0.00 0.00 0.00 178.15 179.36 2jfa h ASN 359 N 0.15 0.92 -0.62 1.72 2.35 -1.55 -2.39 115.58 116.16 2jfa h ASN 359 Ca 0.05 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 2jfa h ASN 359 Cb 0.05 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 2jfa h ASN 359 CO -0.01 0.78 0.27 -0.25 -1.65 0.00 0.00 177.43 176.57 2jfa h TRP 360 N 1.01 0.93 -0.91 1.19 7.01 -0.36 -2.93 115.95 121.89 2jfa h TRP 360 Ca 0.25 -0.06 0.09 0.00 2.11 0.00 0.00 58.89 61.27 2jfa h TRP 360 Cb 0.10 -0.28 -0.07 0.00 -2.10 0.00 0.00 29.16 26.81 2jfa h TRP 360 CO 0.01 0.72 0.56 0.00 -2.79 0.00 0.00 178.44 176.94 2jfa h ALA 361 N 1.11 1.29 0.00 2.65 0.00 -0.09 0.37 119.26 124.60 2jfa h ALA 361 Ca 0.21 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2jfa h ALA 361 Cb 0.17 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2jfa h ALA 361 CO -0.02 0.24 -0.01 0.87 0.00 0.00 0.00 179.25 180.33 2jfa h LYS 362 N 0.96 0.00 -0.01 0.00 1.57 -1.31 -1.26 116.57 116.52 2jfa h LYS 362 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 2jfa h LYS 362 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2jfa h LYS 362 CO -0.22 0.01 -0.36 0.54 -0.57 0.00 0.00 179.45 178.86 2jfa n ARG 363 N -3.28 1.09 -2.56 3.15 1.74 0.10 -4.62 116.66 112.28 2jfa n ARG 363 Ca -0.02 -0.80 -0.43 0.00 -0.77 0.00 0.00 57.85 55.83 2jfa n ARG 363 Cb 0.12 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.05 2jfa n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2jfa s VAL 364 N -2.46 4.50 0.16 1.55 1.01 -0.48 -4.86 120.40 119.82 2jfa s VAL 364 Ca 0.22 1.81 -0.34 0.00 0.00 0.00 0.00 61.98 63.67 2jfa s VAL 364 Cb 0.19 -4.17 -0.15 0.00 0.00 0.00 0.00 36.38 32.25 2jfa s VAL 364 CO 0.54 -0.13 1.45 -2.65 0.00 0.00 0.00 175.10 174.31 2jfa n PRO 365 N 6.21 1.80 0.00 2.72 -0.02 -1.26 -1.53 135.00 142.92 2jfa n PRO 365 Ca 0.12 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2jfa n PRO 365 Cb 0.46 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2jfa n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jfa n GLY 366 N 2.84 2.95 0.11 -1.23 0.00 -1.26 -4.94 105.19 103.66 2jfa n GLY 366 Ca 0.16 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 2jfa n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2jfa h PHE 367 N 0.00 -0.14 0.00 1.61 3.57 -1.56 -1.71 116.94 118.71 2jfa h PHE 367 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2jfa h PHE 367 Cb 0.00 0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.81 2jfa h PHE 367 CO 0.00 -0.09 0.00 1.33 -2.23 0.00 0.00 178.31 177.32 2jfa n VAL 368 N -5.18 0.52 0.30 1.41 0.24 -1.26 -1.85 118.33 112.50 2jfa n VAL 368 Ca -0.05 0.12 0.19 0.00 -2.04 0.00 0.00 64.34 62.56 2jfa n VAL 368 Cb 0.11 -0.76 0.85 0.00 -1.47 0.00 0.00 33.84 32.57 2jfa n VAL 368 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2jfa h ASP 369 N 0.00 0.00 -4.44 -1.34 3.32 -1.69 -3.45 116.42 108.82 2jfa h ASP 369 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 2jfa h ASP 369 Cb 0.38 0.00 0.08 0.00 0.22 0.00 0.00 39.33 40.01 2jfa h ASP 369 CO 0.00 0.00 0.40 -0.76 -1.72 0.00 0.00 179.24 177.16 2jfa s LEU 370 N -6.14 2.85 0.77 1.55 1.43 -0.77 -5.04 118.68 113.34 2jfa s LEU 370 Ca -0.01 1.03 -0.11 0.00 -1.03 0.00 0.00 54.13 54.01 2jfa s LEU 370 Cb 0.10 -3.78 0.06 0.00 0.03 0.00 0.00 46.19 42.60 2jfa s LEU 370 CO 0.50 -1.43 1.11 0.42 0.23 0.00 0.00 176.35 177.18 2jfa s THR 371 N -3.37 3.08 0.18 5.49 -4.23 -1.26 -4.82 115.64 110.70 2jfa s THR 371 Ca 0.59 0.38 -0.12 0.00 -1.18 0.00 0.00 61.69 61.36 2jfa s THR 371 Cb -0.11 -2.81 0.10 0.00 1.34 0.00 0.00 72.50 71.02 2jfa s THR 371 CO 0.51 -0.42 1.81 0.25 -0.54 0.00 0.00 174.62 176.22 2jfa h LEU 372 N -1.00 0.78 -0.88 4.79 5.85 -1.96 -0.47 115.31 122.43 2jfa h LEU 372 Ca -0.44 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.26 2jfa h LEU 372 Cb 1.24 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 2jfa h LEU 372 CO 0.50 0.63 0.54 -0.74 -0.34 0.00 0.00 178.44 179.04 2jfa h HIS 373 N 0.85 1.00 0.00 1.25 2.76 -2.00 -1.17 115.15 117.85 2jfa h HIS 373 Ca 0.22 0.03 -0.19 0.00 -2.20 0.00 0.00 60.37 58.23 2jfa h HIS 373 Cb 0.02 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 28.64 2jfa h HIS 373 CO -0.01 0.49 -0.90 -0.44 -1.30 0.00 0.00 177.93 175.77 2jfa h ASP 374 N 0.97 0.00 -0.21 3.26 3.32 -1.81 -1.91 116.42 120.03 2jfa h ASP 374 Ca 0.39 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.43 2jfa h ASP 374 Cb 0.22 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2jfa h ASP 374 CO -0.19 0.90 0.07 1.56 -1.72 0.00 0.00 179.24 179.86 2jfa h GLN 375 N 0.00 0.33 -0.07 3.56 4.20 -0.68 -1.23 115.11 121.21 2jfa h GLN 375 Ca -0.01 -0.07 0.03 0.00 0.06 0.00 0.00 58.65 58.67 2jfa h GLN 375 Cb 1.61 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 29.30 2jfa h GLN 375 CO 0.12 0.41 -0.14 0.28 -0.67 0.00 0.00 178.83 178.82 2jfa h VAL 376 N 0.18 0.63 -0.66 -0.54 2.07 -1.21 -2.76 116.25 113.96 2jfa h VAL 376 Ca 0.07 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.62 2jfa h VAL 376 Cb 0.21 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2jfa h VAL 376 CO -0.00 0.00 0.41 -0.74 0.02 0.00 0.00 177.57 177.25 2jfa h HIS 377 N -0.20 0.76 -0.35 1.57 -0.00 -1.19 -0.42 115.15 115.32 2jfa h HIS 377 Ca 0.07 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.50 2jfa h HIS 377 Cb 0.30 -0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.43 2jfa h HIS 377 CO -0.23 0.44 0.15 -0.07 -0.00 0.00 0.00 177.93 178.22 2jfa h LEU 378 N 0.80 0.20 -0.63 0.26 3.38 -1.08 -0.81 115.31 117.43 2jfa h LEU 378 Ca 0.27 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 2jfa h LEU 378 Cb 0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2jfa h LEU 378 CO -0.11 0.15 -0.26 -0.07 0.09 0.00 0.00 178.44 178.25 2jfa h LEU 379 N 0.32 0.83 -1.00 1.67 3.38 -1.18 -0.59 115.31 118.73 2jfa h LEU 379 Ca 0.15 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 2jfa h LEU 379 Cb 0.09 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 2jfa h LEU 379 CO -0.13 1.04 0.48 -0.08 0.09 0.00 0.00 178.44 179.84 2jfa h GLU 380 N 0.69 1.17 0.02 1.13 4.81 -0.71 -1.22 114.58 120.48 2jfa h GLU 380 Ca 0.09 -0.12 -0.21 0.00 -0.13 0.00 0.00 59.36 58.98 2jfa h GLU 380 Cb 0.79 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2jfa h GLU 380 CO 0.06 0.85 -0.95 0.00 -0.73 0.00 0.00 179.01 178.24 2jfa n ALA 382 N -2.45 3.96 -0.30 0.00 0.00 -0.25 -4.71 120.51 116.76 2jfa n ALA 382 Ca -0.04 -0.56 -0.03 0.00 0.00 0.00 0.00 53.44 52.81 2jfa n ALA 382 Cb 0.86 -0.75 0.09 0.00 0.00 0.00 0.00 19.45 19.65 2jfa n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2jfa h TRP 383 N 0.00 1.02 -0.28 0.00 5.08 -1.43 -0.32 115.95 120.01 2jfa h TRP 383 Ca 0.00 0.02 -0.15 0.00 1.08 0.00 0.00 58.89 59.85 2jfa h TRP 383 Cb 0.68 -0.34 -0.01 0.00 -3.00 0.00 0.00 29.16 26.49 2jfa h TRP 383 CO 0.00 0.62 -0.43 1.25 -1.28 0.00 0.00 178.44 178.60 2jfa h LEU 384 N 1.09 0.75 -0.70 0.11 5.85 -1.86 -0.75 115.31 119.79 2jfa h LEU 384 Ca 0.31 -0.35 0.05 0.00 0.84 0.00 0.00 57.88 58.73 2jfa h LEU 384 Cb -0.08 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.68 2jfa h LEU 384 CO -0.08 1.08 0.41 -0.33 -0.34 0.00 0.00 178.44 179.18 2jfa h GLU 385 N 0.57 0.75 -0.42 1.25 5.08 -1.57 0.67 114.58 120.90 2jfa h GLU 385 Ca 0.04 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 2jfa h GLU 385 Cb 0.98 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2jfa h GLU 385 CO 0.09 0.49 -0.26 0.82 -1.00 0.00 0.00 179.01 179.16 2jfa h ILE 386 N 0.77 1.27 -0.61 3.13 2.04 -0.70 0.92 117.51 124.33 2jfa h ILE 386 Ca 0.31 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.74 2jfa h ILE 386 Cb 0.14 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2jfa h ILE 386 CO -0.16 0.48 0.32 -0.07 0.00 0.00 0.00 178.15 178.72 2jfa h LEU 387 N 0.76 0.77 -0.49 1.44 3.38 -0.64 -2.26 115.31 118.27 2jfa h LEU 387 Ca 0.09 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 2jfa h LEU 387 Cb 0.81 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2jfa h LEU 387 CO 0.07 0.65 -0.27 0.24 0.09 0.00 0.00 178.44 179.22 2jfa h MET 388 N 0.82 0.95 -0.11 1.13 2.86 -0.36 -0.99 114.93 119.24 2jfa h MET 388 Ca 0.21 -0.44 -0.10 0.00 -2.06 0.00 0.00 59.70 57.31 2jfa h MET 388 Cb 0.06 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2jfa h MET 388 CO -0.03 1.10 -0.40 0.97 1.06 0.00 0.00 176.91 179.61 2jfa h ILE 389 N 0.81 1.30 -0.13 -1.22 2.10 -0.71 -1.10 117.51 118.56 2jfa h ILE 389 Ca 0.09 -1.49 -0.01 0.00 1.08 0.00 0.00 64.86 64.54 2jfa h ILE 389 Cb 0.85 1.66 -0.01 0.00 -1.09 0.00 0.00 36.82 38.23 2jfa h ILE 389 CO 0.08 0.45 0.05 1.23 -1.08 0.00 0.00 178.15 178.88 2jfa h GLY 390 N 1.19 0.20 0.46 8.18 0.00 -1.12 -1.00 103.07 110.98 2jfa h GLY 390 Ca 0.02 -0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.27 2jfa h GLY 390 CO 0.06 0.10 -0.26 -2.00 0.00 0.00 0.00 176.54 174.45 2jfa h LEU 391 N 0.06 -0.75 -1.21 3.11 5.85 -0.82 -1.48 115.31 120.07 2jfa h LEU 391 Ca 0.04 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2jfa h LEU 391 Cb 0.15 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 2jfa h LEU 391 CO -0.00 -0.33 0.38 0.58 -0.34 0.00 0.00 178.44 178.73 2jfa h VAL 392 N -0.42 1.20 -0.33 1.05 2.07 -1.16 0.03 116.25 118.69 2jfa h VAL 392 Ca 0.05 -0.47 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 2jfa h VAL 392 Cb 0.48 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2jfa h VAL 392 CO -0.20 0.21 0.02 -0.25 0.02 0.00 0.00 177.57 177.37 2jfa h TRP 393 N 0.93 0.62 0.00 1.57 2.91 -0.77 -3.05 115.95 118.16 2jfa h TRP 393 Ca 0.24 -0.10 0.00 0.00 1.13 0.00 0.00 58.89 60.16 2jfa h TRP 393 Cb 0.00 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 28.49 2jfa h TRP 393 CO 0.00 0.68 0.00 2.89 -1.03 0.00 0.00 178.44 180.98 2jfa n ARG 394 N -4.55 0.16 0.00 2.65 1.85 -0.59 -2.62 116.66 113.56 2jfa n ARG 394 Ca -0.02 0.14 0.14 0.00 -1.00 0.00 0.00 57.85 57.11 2jfa n ARG 394 Cb 0.25 -1.69 0.56 0.00 -1.05 0.00 0.00 32.46 30.54 2jfa n ARG 394 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2jfa n SER 395 N -1.96 0.27 -0.27 2.89 7.64 -0.07 -4.42 113.62 117.69 2jfa n SER 395 Ca 0.06 -0.12 0.03 0.00 1.01 0.00 0.00 58.87 59.85 2jfa n SER 395 Cb 0.39 -0.17 0.16 0.00 -1.01 0.00 0.00 64.21 63.58 2jfa n SER 395 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2jfa h MET 396 N 0.21 0.67 -0.84 1.43 2.86 -1.40 0.03 114.93 117.89 2jfa h MET 396 Ca 0.00 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 2jfa h MET 396 Cb 0.42 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 2jfa h MET 396 CO 0.00 0.44 0.04 0.39 1.06 0.00 0.00 176.91 178.84 2jfa n GLU 397 N -4.81 2.59 -3.19 1.72 1.02 -1.26 -4.37 120.64 112.34 2jfa n GLU 397 Ca 0.13 -1.39 -0.23 0.00 -0.02 0.00 0.00 57.16 55.66 2jfa n GLU 397 Cb 0.30 -1.80 -0.05 0.00 -0.02 0.00 0.00 31.44 29.86 2jfa n GLU 397 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2jfa n HIS 398 N 0.22 0.90 -1.57 -0.32 8.25 -0.00 -5.11 115.22 117.58 2jfa n HIS 398 Ca 0.14 -3.79 -0.45 0.00 -0.26 0.00 0.00 57.72 53.36 2jfa n HIS 398 Cb 0.71 -0.42 -0.02 0.00 1.12 0.00 0.00 29.99 31.39 2jfa n HIS 398 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2jfa n PRO 399 N 0.74 1.22 -0.90 -0.41 -0.02 -1.26 -1.13 135.00 133.24 2jfa n PRO 399 Ca 0.25 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2jfa n PRO 399 Cb 0.54 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 2jfa n PRO 399 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jfa n GLY 400 N 1.35 1.04 3.04 -1.23 0.00 -1.26 -5.00 105.19 103.13 2jfa n GLY 400 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 2jfa n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jfa s LYS 401 N -0.07 0.47 -0.18 1.61 1.02 -0.28 -4.13 119.74 118.17 2jfa s LYS 401 Ca 0.00 -0.71 -0.03 0.00 0.02 0.00 0.00 55.97 55.25 2jfa s LYS 401 Cb 0.00 -0.19 -0.02 0.00 -0.52 0.00 0.00 37.83 37.10 2jfa s LYS 401 CO 0.00 0.03 -0.06 -0.51 -0.92 0.00 0.00 175.35 173.89 2jfa s LEU 402 N -1.51 2.99 -1.10 3.17 1.43 0.14 -4.81 118.68 119.00 2jfa s LEU 402 Ca -0.11 -0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 2jfa s LEU 402 Cb -0.10 -1.73 0.23 0.00 0.03 0.00 0.00 46.19 44.63 2jfa s LEU 402 CO 0.00 0.09 1.16 -0.22 0.23 0.00 0.00 176.35 177.61 2jfa s LEU 403 N 0.82 5.97 0.27 1.79 0.20 -1.26 -0.87 118.68 125.60 2jfa s LEU 403 Ca -0.02 -3.24 -0.04 0.00 0.69 0.00 0.00 54.13 51.52 2jfa s LEU 403 Cb -0.15 -2.27 0.36 0.00 -0.43 0.00 0.00 46.19 43.70 2jfa s LEU 403 CO 0.01 -0.49 1.95 -0.26 -0.29 0.00 0.00 176.35 177.27 2jfa h PHE 404 N 7.05 1.16 -3.50 5.38 0.04 -1.63 -3.43 116.94 122.01 2jfa h PHE 404 Ca 0.21 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.95 2jfa h PHE 404 Cb 0.90 -0.39 -0.12 0.00 2.20 0.00 0.00 35.95 38.54 2jfa h PHE 404 CO 0.91 0.72 -0.13 0.00 -0.60 0.00 0.00 178.31 179.21 2jfa s ALA 405 N -6.02 -0.71 0.49 2.45 0.00 -1.10 -4.96 121.76 111.91 2jfa s ALA 405 Ca -0.12 -0.27 0.19 0.00 0.00 0.00 0.00 51.96 51.76 2jfa s ALA 405 Cb 0.18 0.72 1.23 0.00 0.00 0.00 0.00 23.12 25.25 2jfa s ALA 405 CO 0.81 -0.66 2.01 -1.35 0.00 0.00 0.00 175.76 176.57 2jfa h PRO 406 N 2.41 0.16 -0.59 0.00 0.11 -1.87 0.90 132.00 133.12 2jfa h PRO 406 Ca -0.33 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.77 2jfa h PRO 406 Cb 1.25 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2jfa h PRO 406 CO 0.46 0.10 0.00 0.27 -0.21 0.00 0.00 178.00 178.63 2jfa n ASN 407 N -4.44 5.53 -3.25 -2.05 6.94 -1.26 -4.77 115.26 111.96 2jfa n ASN 407 Ca 0.08 -2.83 -0.18 0.00 -0.02 0.00 0.00 54.58 51.63 2jfa n ASN 407 Cb 0.43 -0.66 -0.07 0.00 -2.36 0.00 0.00 39.78 37.12 2jfa n ASN 407 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2jfa s LEU 408 N -2.56 0.19 -0.20 -4.53 2.96 0.31 -4.84 118.68 110.01 2jfa s LEU 408 Ca 0.54 -2.16 0.01 0.00 -0.22 0.00 0.00 54.13 52.31 2jfa s LEU 408 Cb 0.40 0.46 0.03 0.00 0.50 0.00 0.00 46.19 47.58 2jfa s LEU 408 CO 0.18 -0.19 -0.17 -0.22 -1.32 0.00 0.00 176.35 174.64 2jfa s LEU 409 N 0.82 2.52 0.01 -0.68 2.96 -1.26 -1.53 118.68 121.52 2jfa s LEU 409 Ca 0.25 -0.83 0.07 0.00 -0.22 0.00 0.00 54.13 53.40 2jfa s LEU 409 Cb -0.06 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.10 2jfa s LEU 409 CO -0.09 -0.05 -0.22 -0.76 -1.32 0.00 0.00 176.35 173.91 2jfa s LEU 410 N 1.25 2.09 0.50 -0.68 1.43 -0.05 -4.90 118.68 118.33 2jfa s LEU 410 Ca 0.01 -0.46 0.08 0.00 -1.03 0.00 0.00 54.13 52.73 2jfa s LEU 410 Cb -0.15 -1.12 0.03 0.00 0.03 0.00 0.00 46.19 44.98 2jfa s LEU 410 CO -0.10 0.24 0.52 1.51 0.23 0.00 0.00 176.35 178.75 2jfa s ASP 411 N -0.80 5.01 0.55 2.29 1.47 -1.26 0.27 116.67 124.19 2jfa s ASP 411 Ca 0.09 -0.89 0.28 0.00 1.18 0.00 0.00 52.55 53.21 2jfa s ASP 411 Cb -0.09 -0.05 1.59 0.00 -0.34 0.00 0.00 42.92 44.04 2jfa s ASP 411 CO 0.00 -0.99 2.14 0.08 0.68 0.00 0.00 175.17 177.08 2jfa h ARG 412 N 0.66 0.00 0.00 2.11 0.11 -1.97 -1.17 114.38 114.12 2jfa h ARG 412 Ca -0.37 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.69 2jfa h ARG 412 Cb 1.28 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.36 2jfa h ARG 412 CO 0.51 0.07 -0.14 -0.91 0.10 0.00 0.00 179.97 179.61 2jfa h ASN 413 N 0.00 0.00 0.98 0.08 2.35 -1.95 -2.47 115.58 114.58 2jfa h ASN 413 Ca -0.00 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.58 2jfa h ASN 413 Cb 0.21 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 2jfa h ASN 413 CO 0.01 0.14 -1.09 1.56 -1.65 0.00 0.00 177.43 176.40 2jfa h GLN 414 N 0.00 0.00 -0.85 0.81 4.20 -1.61 -3.21 115.11 114.44 2jfa h GLN 414 Ca -0.00 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.87 2jfa h GLN 414 Cb 0.59 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.27 2jfa h GLN 414 CO 0.02 0.48 0.41 0.78 -0.67 0.00 0.00 178.83 179.84 2jfa h GLY 415 N 3.52 1.39 1.96 3.46 0.00 -1.12 -1.32 103.07 110.96 2jfa h GLY 415 Ca -0.10 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2jfa h GLY 415 CO 0.07 -0.10 0.00 0.28 0.00 0.00 0.00 176.54 176.78 2jfa n LYS 416 N -4.93 0.01 0.22 4.80 5.02 -1.12 -2.23 118.16 119.93 2jfa n LYS 416 Ca 0.18 0.40 0.07 0.00 -2.02 0.00 0.00 58.31 56.94 2jfa n LYS 416 Cb 0.49 -1.50 0.52 0.00 -0.02 0.00 0.00 35.03 34.52 2jfa n LYS 416 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jfa s VAL 418 N -4.24 3.36 0.19 0.00 1.01 -0.95 -3.94 120.40 115.84 2jfa s VAL 418 Ca -0.03 -0.50 -0.33 0.00 0.00 0.00 0.00 61.98 61.12 2jfa s VAL 418 Cb 0.14 -2.52 -0.15 0.00 0.00 0.00 0.00 36.38 33.86 2jfa s VAL 418 CO 0.66 0.44 1.33 -1.84 0.00 0.00 0.00 175.10 175.69 2jfa n GLU 419 N 4.62 1.63 -0.96 2.72 0.00 -1.26 -1.47 120.64 125.91 2jfa n GLU 419 Ca -0.18 0.58 0.00 0.00 0.00 0.00 0.00 57.16 57.56 2jfa n GLU 419 Cb 0.51 -2.19 0.00 0.00 0.00 0.00 0.00 31.44 29.76 2jfa n GLU 419 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jfa n GLY 420 N 2.27 0.46 0.08 -1.84 0.00 -1.26 -4.90 105.19 100.00 2jfa n GLY 420 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.20 2jfa n GLY 420 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2jfa n MET 421 N -1.93 0.63 -0.06 1.61 0.00 -0.54 -4.34 117.12 112.48 2jfa n MET 421 Ca 0.00 0.09 -0.05 0.00 -0.00 0.00 0.00 57.70 57.74 2jfa n MET 421 Cb 0.10 -1.72 0.14 0.00 0.00 0.00 0.00 33.22 31.74 2jfa n MET 421 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 175.97 175.73 2jfa h VAL 422 N 0.00 1.26 -0.97 1.12 3.04 -1.77 -1.51 116.25 117.42 2jfa h VAL 422 Ca -0.14 -1.21 0.04 0.00 -1.01 0.00 0.00 66.70 64.38 2jfa h VAL 422 Cb 1.41 1.15 -0.06 0.00 -2.01 0.00 0.00 31.29 31.78 2jfa h VAL 422 CO 0.02 0.41 0.63 -0.33 -1.01 0.00 0.00 177.57 177.29 2jfa h GLU 423 N 0.62 1.17 0.06 4.17 3.07 -1.96 0.10 114.58 121.82 2jfa h GLU 423 Ca 0.10 -0.07 -0.27 0.00 -0.50 0.00 0.00 59.36 58.62 2jfa h GLU 423 Cb 0.63 -0.26 0.02 0.00 -0.84 0.00 0.00 28.75 28.29 2jfa h GLU 423 CO 0.04 0.77 -1.12 0.82 -1.40 0.00 0.00 179.01 178.13 2jfa h ILE 424 N 1.21 1.34 -0.27 3.13 1.08 -1.72 -2.70 117.51 119.57 2jfa h ILE 424 Ca 0.39 -2.49 0.06 0.00 -0.39 0.00 0.00 64.86 62.44 2jfa h ILE 424 Cb 0.04 2.58 -0.06 0.00 -3.07 0.00 0.00 36.82 36.31 2jfa h ILE 424 CO -0.13 0.75 -0.10 -0.26 -0.69 0.00 0.00 178.15 177.71 2jfa h PHE 425 N 0.26 -0.24 -0.96 1.37 -1.00 -0.44 0.06 116.94 115.99 2jfa h PHE 425 Ca -0.14 0.03 0.05 0.00 2.81 0.00 0.00 57.97 60.72 2jfa h PHE 425 Cb 1.78 0.15 -0.06 0.00 3.61 0.00 0.00 35.95 41.43 2jfa h PHE 425 CO 0.09 -0.16 0.62 -0.44 -1.61 0.00 0.00 178.31 176.81 2jfa h ASP 426 N -0.05 1.00 -0.45 2.17 3.32 -0.81 0.11 116.42 121.70 2jfa h ASP 426 Ca 0.14 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 2jfa h ASP 426 Cb 0.26 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2jfa h ASP 426 CO -0.31 0.66 0.20 0.24 -1.72 0.00 0.00 179.24 178.31 2jfa h MET 427 N 1.15 0.66 -0.44 3.56 2.86 -1.10 -0.19 114.93 121.43 2jfa h MET 427 Ca 0.40 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.92 2jfa h MET 427 Cb 0.11 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 2jfa h MET 427 CO -0.15 0.58 0.19 -0.07 1.06 0.00 0.00 176.91 178.52 2jfa h LEU 428 N 0.59 0.60 -0.90 1.22 3.38 -0.25 -1.24 115.31 118.69 2jfa h LEU 428 Ca 0.15 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jfa h LEU 428 Cb 0.15 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 2jfa h LEU 428 CO -0.02 0.58 0.56 -0.07 0.09 0.00 0.00 178.44 179.59 2jfa h LEU 429 N 0.57 1.07 -1.00 1.67 3.38 -0.70 -0.56 115.31 119.75 2jfa h LEU 429 Ca 0.15 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2jfa h LEU 429 Cb 0.16 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2jfa h LEU 429 CO -0.02 0.81 0.01 0.00 0.09 0.00 0.00 178.44 179.33 2jfa h ALA 430 N 1.31 1.17 -0.44 1.53 0.00 -0.65 -0.94 119.26 121.23 2jfa h ALA 430 Ca 0.33 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2jfa h ALA 430 Cb -0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2jfa h ALA 430 CO -0.06 0.54 -0.20 1.15 0.00 0.00 0.00 179.25 180.68 2jfa h THR 431 N 0.69 1.27 -0.59 0.00 2.02 -0.66 -1.37 112.91 114.28 2jfa h THR 431 Ca 0.14 -1.35 -0.04 0.00 0.77 0.00 0.00 66.41 65.93 2jfa h THR 431 Cb 0.41 1.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 2jfa h THR 431 CO 0.02 0.46 0.19 -1.28 0.37 0.00 0.00 175.52 175.28 2jfa h SER 432 N 0.74 0.85 -0.20 4.18 0.87 -0.76 -1.18 113.55 118.05 2jfa h SER 432 Ca 0.10 -0.20 0.05 0.00 -1.23 0.00 0.00 61.79 60.51 2jfa h SER 432 Cb 0.77 -0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 62.45 2jfa h SER 432 CO 0.06 0.83 -0.15 0.28 -0.53 0.00 0.00 176.83 177.32 2jfa h SER 433 N 0.83 -0.48 -0.81 6.23 0.02 -1.10 -1.61 113.55 116.63 2jfa h SER 433 Ca 0.19 0.10 0.08 0.00 -0.84 0.00 0.00 61.79 61.33 2jfa h SER 433 Cb 0.27 0.24 -0.07 0.00 0.14 0.00 0.00 62.40 62.99 2jfa h SER 433 CO -0.01 -0.19 0.47 -0.09 -1.14 0.00 0.00 176.83 175.87 2jfa h ARG 434 N -0.15 0.78 -0.26 3.45 9.65 -0.73 0.85 114.38 127.96 2jfa h ARG 434 Ca 0.12 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 58.89 2jfa h ARG 434 Cb 0.33 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.72 2jfa h ARG 434 CO -0.29 0.52 -0.11 0.74 2.80 0.00 0.00 179.97 183.62 2jfa h PHE 435 N 0.80 0.46 0.08 2.20 0.04 -0.83 -2.22 116.94 117.47 2jfa h PHE 435 Ca 0.38 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 61.08 2jfa h PHE 435 Cb 0.31 -0.13 0.00 0.00 2.20 0.00 0.00 35.95 38.33 2jfa h PHE 435 CO -0.06 0.54 -0.04 -0.09 -0.60 0.00 0.00 178.31 178.06 2jfa h ARG 436 N 0.41 -0.10 -0.20 1.51 2.43 -0.14 -1.76 114.38 116.54 2jfa h ARG 436 Ca 0.08 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.31 2jfa h ARG 436 Cb 0.44 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2jfa h ARG 436 CO 0.02 0.19 0.17 0.52 -1.51 0.00 0.00 179.97 179.36 2jfa h MET 437 N -0.38 0.00 -0.02 0.20 2.86 -0.72 -2.00 114.93 114.87 2jfa h MET 437 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2jfa h MET 437 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2jfa h MET 437 CO 0.02 0.00 -0.23 -1.33 1.06 0.00 0.00 176.91 176.43 2jfa n MET 438 N -4.12 1.49 -4.01 1.72 2.81 -0.85 -4.98 117.12 109.18 2jfa n MET 438 Ca 0.02 -1.12 -0.27 0.00 -1.81 0.00 0.00 57.70 54.52 2jfa n MET 438 Cb 0.31 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.31 2jfa n MET 438 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2jfa n ASN 439 N 0.22 -0.61 -4.63 7.83 3.02 -0.75 -4.86 115.26 115.48 2jfa n ASN 439 Ca 0.13 -1.03 -0.54 0.00 -0.03 0.00 0.00 54.58 53.11 2jfa n ASN 439 Cb 0.46 -2.91 -0.06 0.00 -0.61 0.00 0.00 39.78 36.65 2jfa n ASN 439 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2jfa n LEU 440 N -4.42 1.82 -4.90 3.41 7.94 -0.72 -4.95 117.00 115.17 2jfa n LEU 440 Ca -0.26 1.11 -0.29 0.00 -1.11 0.00 0.00 56.01 55.45 2jfa n LEU 440 Cb 0.66 -1.16 -0.03 0.00 0.53 0.00 0.00 43.42 43.42 2jfa n LEU 440 CO 0.77 -0.88 0.18 -1.10 -1.11 0.00 0.00 177.39 175.25 2jfa s GLN 441 N 1.46 3.64 0.26 1.96 -1.52 -1.26 -4.95 119.66 119.24 2jfa s GLN 441 Ca 0.89 -0.00 -0.03 0.00 -1.95 0.00 0.00 55.36 54.27 2jfa s GLN 441 Cb -1.01 -2.67 0.43 0.00 -0.22 0.00 0.00 33.01 29.53 2jfa s GLN 441 CO 0.53 0.25 1.83 0.78 -0.25 0.00 0.00 175.29 178.44 2jfa h GLY 442 N 1.86 1.40 0.99 3.09 0.00 -1.99 0.10 103.07 108.51 2jfa h GLY 442 Ca -0.47 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 46.50 2jfa h GLY 442 CO 0.67 0.18 0.67 0.83 0.00 0.00 0.00 176.54 178.88 2jfa h GLU 443 N 0.91 1.31 -0.34 4.80 3.07 -1.98 -0.95 114.58 121.39 2jfa h GLU 443 Ca 0.42 -0.08 -0.16 0.00 -0.50 0.00 0.00 59.36 59.04 2jfa h GLU 443 Cb 0.34 -0.29 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 2jfa h GLU 443 CO -0.23 0.86 -0.43 0.93 -1.40 0.00 0.00 179.01 178.74 2jfa h GLU 444 N 1.35 0.86 -0.10 2.33 5.08 -1.41 -2.89 114.58 119.80 2jfa h GLU 444 Ca 0.37 -0.48 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2jfa h GLU 444 Cb -0.13 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 2jfa h GLU 444 CO -0.09 1.12 -0.06 0.35 -1.00 0.00 0.00 179.01 179.33 2jfa h PHE 445 N 0.70 -0.13 -0.56 4.33 3.57 -0.31 -0.74 116.94 123.80 2jfa h PHE 445 Ca 0.05 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 2jfa h PHE 445 Cb 1.01 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 2jfa h PHE 445 CO 0.06 -0.09 0.25 -0.39 -2.23 0.00 0.00 178.31 175.91 2jfa h VAL 446 N -0.05 1.19 -0.41 1.41 -1.51 -1.19 -0.11 116.25 115.59 2jfa h VAL 446 Ca 0.06 -0.57 -0.01 0.00 -1.23 0.00 0.00 66.70 64.95 2jfa h VAL 446 Cb 0.14 0.49 -0.02 0.00 -2.13 0.00 0.00 31.29 29.77 2jfa h VAL 446 CO -0.13 0.23 0.22 0.00 -1.23 0.00 0.00 177.57 176.66 2jfa h LEU 448 N 0.53 0.74 -0.79 0.00 3.38 -0.07 -2.06 115.31 117.03 2jfa h LEU 448 Ca 0.14 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2jfa h LEU 448 Cb 0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2jfa h LEU 448 CO -0.02 0.72 -0.12 0.50 0.09 0.00 0.00 178.44 179.61 2jfa h LYS 449 N 0.78 0.79 -0.11 1.13 3.64 -0.87 -1.59 116.57 120.32 2jfa h LYS 449 Ca 0.17 -0.26 -0.15 0.00 -1.27 0.00 0.00 60.65 59.14 2jfa h LYS 449 Cb 0.27 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2jfa h LYS 449 CO -0.00 0.87 -0.58 0.77 -2.27 0.00 0.00 179.45 178.24 2jfa h SER 450 N 0.71 0.40 -0.50 4.20 0.02 -1.21 -2.71 113.55 114.46 2jfa h SER 450 Ca 0.12 -0.22 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 2jfa h SER 450 Cb 0.60 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 2jfa h SER 450 CO 0.04 0.89 0.33 0.40 -1.14 0.00 0.00 176.83 177.35 2jfa h ILE 451 N 0.27 1.13 -0.26 3.27 2.04 -0.96 -1.41 117.51 121.59 2jfa h ILE 451 Ca -0.00 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.66 2jfa h ILE 451 Cb 1.09 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 2jfa h ILE 451 CO 0.10 0.12 0.06 0.40 0.00 0.00 0.00 178.15 178.83 2jfa h ILE 452 N 0.68 0.90 0.07 -0.67 2.04 -1.14 0.30 117.51 119.69 2jfa h ILE 452 Ca 0.18 -0.06 0.02 0.00 1.00 0.00 0.00 64.86 66.00 2jfa h ILE 452 Cb -0.08 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 2jfa h ILE 452 CO -0.04 0.03 -0.19 0.25 0.00 0.00 0.00 178.15 178.20 2jfa h LEU 453 N 0.17 -0.53 -0.70 1.44 5.85 -1.24 -2.05 115.31 118.24 2jfa h LEU 453 Ca 0.12 0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.79 2jfa h LEU 453 Cb 0.11 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2jfa h LEU 453 CO -0.14 -0.26 -0.52 -0.07 -0.34 0.00 0.00 178.44 177.10 2jfa h LEU 454 N -0.34 0.00 0.00 2.25 3.38 -0.88 -3.33 115.31 116.39 2jfa h LEU 454 Ca 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2jfa h LEU 454 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2jfa h LEU 454 CO -0.13 0.52 -1.34 -3.20 0.09 0.00 0.00 178.44 174.38 2jfa n ASN 455 N -3.57 0.62 0.05 -0.43 5.15 0.10 -4.21 115.26 112.98 2jfa n ASN 455 Ca -0.00 0.25 -0.10 0.00 -0.60 0.00 0.00 54.58 54.12 2jfa n ASN 455 Cb 0.61 0.80 -0.13 0.00 -0.53 0.00 0.00 39.78 40.52 2jfa n ASN 455 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2jfa h SER 456 N 0.00 0.12 0.06 1.20 0.02 -1.48 -3.20 113.55 110.28 2jfa h SER 456 Ca -0.04 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2jfa h SER 456 Cb 1.12 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2jfa h SER 456 CO 0.01 1.12 -0.35 0.61 -1.14 0.00 0.00 176.83 177.08 2jfa n GLY 457 N 1.46 -0.10 0.21 -3.77 0.00 -1.26 -4.56 105.19 97.16 2jfa n GLY 457 Ca -0.07 -0.56 0.04 0.00 0.00 0.00 0.00 46.02 45.43 2jfa n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2jfa h VAL 458 N 2.21 1.20 0.00 1.61 3.04 -1.72 -2.62 116.25 119.97 2jfa h VAL 458 Ca 0.00 -0.94 -0.12 0.00 -1.01 0.00 0.00 66.70 64.62 2jfa h VAL 458 Cb 0.68 1.50 -0.02 0.00 -2.01 0.00 0.00 31.29 31.44 2jfa h VAL 458 CO 0.00 0.27 -0.66 1.88 -1.01 0.00 0.00 177.57 178.05 2jfa h TYR 459 N 0.01 0.00 -0.93 3.17 0.99 -1.80 -3.34 116.97 115.06 2jfa h TYR 459 Ca -0.00 0.00 -0.57 0.00 2.00 0.00 0.00 58.73 60.16 2jfa h TYR 459 Cb 0.49 0.00 -0.29 0.00 1.00 0.00 0.00 36.73 37.92 2jfa h TYR 459 CO 0.00 0.56 0.61 0.25 -0.00 0.00 0.00 178.16 179.59 2jfa n THR 460 N -3.20 3.32 -1.08 -2.88 -2.24 -0.99 -4.94 114.28 102.27 2jfa n THR 460 Ca 0.00 -2.62 -0.09 0.00 -2.27 0.00 0.00 64.05 59.07 2jfa n THR 460 Cb 0.77 -0.83 0.07 0.00 -2.10 0.00 0.00 70.33 68.24 2jfa n THR 460 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2jfa n PHE 461 N -1.01 -3.75 -0.67 4.78 3.72 -1.23 -5.08 117.46 114.22 2jfa n PHE 461 Ca 0.58 -0.35 -0.30 0.00 -0.05 0.00 0.00 57.45 57.33 2jfa n PHE 461 Cb 1.09 -0.34 0.26 0.00 -0.94 0.00 0.00 39.48 39.55 2jfa n PHE 461 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 176.76 176.23 2jfa s LEU 462 N 0.00 -0.04 0.08 4.37 -0.00 -1.26 -5.09 118.68 116.73 2jfa s LEU 462 Ca 0.23 0.94 -0.12 0.00 -0.00 0.00 0.00 54.13 55.18 2jfa s LEU 462 Cb -0.01 -2.60 0.01 0.00 -0.00 0.00 0.00 46.19 43.59 2jfa s LEU 462 CO 0.17 -4.64 0.27 -0.44 -0.00 0.00 0.00 176.35 171.70 2jfa s SER 463 N -3.26 -0.03 0.00 1.48 0.01 -1.26 -4.85 113.70 105.79 2jfa s SER 463 Ca 0.69 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 57.53 2jfa s SER 463 Cb -0.15 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.45 2jfa s SER 463 CO 0.59 -0.71 0.00 -1.54 0.41 0.00 0.00 173.24 171.99 2jfa n SER 464 N 0.16 -1.77 -4.83 2.44 3.41 -1.26 -4.99 113.62 106.79 2jfa n SER 464 Ca -0.17 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.06 2jfa n SER 464 Cb 0.61 -1.84 -0.06 0.00 -0.26 0.00 0.00 64.21 62.67 2jfa n SER 464 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2jfa s THR 465 N -1.87 4.92 0.21 6.66 -1.32 -1.26 -5.02 115.64 117.96 2jfa s THR 465 Ca 0.00 0.98 -0.10 0.00 -1.21 0.00 0.00 61.69 61.36 2jfa s THR 465 Cb 0.00 -3.78 0.16 0.00 -1.51 0.00 0.00 72.50 67.37 2jfa s THR 465 CO 0.00 0.57 1.87 -0.07 -2.21 0.00 0.00 174.62 174.78 2jfa h LEU 466 N 4.65 0.89 -0.89 9.08 3.38 -2.00 -2.83 115.31 127.58 2jfa h LEU 466 Ca -0.51 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.44 2jfa h LEU 466 Cb 1.22 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 2jfa h LEU 466 CO 0.62 0.66 0.58 0.50 0.09 0.00 0.00 178.44 180.90 2jfa h LYS 467 N 1.03 1.12 -0.44 1.13 1.63 -2.00 -2.59 116.57 116.46 2jfa h LYS 467 Ca 0.28 -0.07 -0.11 0.00 -0.85 0.00 0.00 60.65 59.90 2jfa h LYS 467 Cb -0.08 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 31.28 2jfa h LYS 467 CO -0.06 0.74 -0.17 0.66 -3.45 0.00 0.00 179.45 177.17 2jfa h SER 468 N 1.16 0.85 -0.06 4.20 4.64 -1.87 -1.15 113.55 121.32 2jfa h SER 468 Ca 0.34 -0.29 0.04 0.00 -0.47 0.00 0.00 61.79 61.41 2jfa h SER 468 Cb -0.06 -0.23 -0.05 0.00 -0.31 0.00 0.00 62.40 61.75 2jfa h SER 468 CO -0.10 1.02 -0.24 0.25 -0.87 0.00 0.00 176.83 176.89 2jfa h LEU 469 N 0.75 -0.73 -0.23 5.97 5.85 -1.24 0.19 115.31 125.87 2jfa h LEU 469 Ca 0.11 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.96 2jfa h LEU 469 Cb 0.70 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 2jfa h LEU 469 CO 0.05 -0.30 0.11 -0.33 -0.34 0.00 0.00 178.44 177.63 2jfa h GLU 470 N -0.34 0.22 -0.09 1.25 4.39 -1.22 -1.36 114.58 117.44 2jfa h GLU 470 Ca 0.08 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.81 2jfa h GLU 470 Cb 0.46 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.01 2jfa h GLU 470 CO -0.26 0.15 -0.21 0.93 -1.16 0.00 0.00 179.01 178.45 2jfa h GLU 471 N 0.23 -0.28 -0.76 2.33 4.39 -1.00 -2.25 114.58 117.23 2jfa h GLU 471 Ca 0.10 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2jfa h GLU 471 Cb 0.03 0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 2jfa h GLU 471 CO -0.07 -0.19 0.49 0.87 -1.16 0.00 0.00 179.01 178.94 2jfa h LYS 472 N -0.29 1.02 -0.18 2.33 1.57 -0.85 -1.59 116.57 118.58 2jfa h LYS 472 Ca 0.09 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2jfa h LYS 472 Cb 0.42 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2jfa h LYS 472 CO -0.26 0.69 -0.03 0.22 -0.57 0.00 0.00 179.45 179.50 2jfa h ASP 473 N 1.04 -0.13 -0.41 0.86 3.58 -1.18 0.65 116.42 120.82 2jfa h ASP 473 Ca 0.28 0.05 0.04 0.00 0.42 0.00 0.00 57.03 57.82 2jfa h ASP 473 Cb -0.08 0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.02 2jfa h ASP 473 CO -0.06 -0.04 0.17 -0.74 -2.88 0.00 0.00 179.24 175.69 2jfa h HIS 474 N 0.02 0.30 -0.29 0.28 2.76 -1.04 -1.19 115.15 115.99 2jfa h HIS 474 Ca 0.08 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.28 2jfa h HIS 474 Cb 0.12 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 2jfa h HIS 474 CO -0.19 0.13 0.18 0.82 -1.30 0.00 0.00 177.93 177.58 2jfa h ILE 475 N 0.35 1.05 -0.89 6.26 2.04 -0.91 -1.95 117.51 123.46 2jfa h ILE 475 Ca 0.18 -0.13 0.07 0.00 1.00 0.00 0.00 64.86 65.98 2jfa h ILE 475 Cb 0.14 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 2jfa h ILE 475 CO -0.17 0.07 0.58 0.45 0.00 0.00 0.00 178.15 179.08 2jfa h HIS 476 N 0.37 1.02 -0.58 1.37 3.86 -0.44 0.13 115.15 120.88 2jfa h HIS 476 Ca 0.11 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.25 2jfa h HIS 476 Cb -0.02 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.10 2jfa h HIS 476 CO -0.07 0.53 -0.01 0.00 0.86 0.00 0.00 177.93 179.24 2jfa h ARG 477 N 1.00 1.02 -0.37 2.45 3.08 -0.85 0.22 114.38 120.93 2jfa h ARG 477 Ca 0.39 -0.33 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 2jfa h ARG 477 Cb 0.22 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2jfa h ARG 477 CO -0.15 1.02 -0.04 0.28 -1.07 0.00 0.00 179.97 180.02 2jfa h VAL 478 N 0.91 1.27 -0.81 2.04 2.07 -0.65 -1.87 116.25 119.22 2jfa h VAL 478 Ca 0.16 -1.07 0.08 0.00 0.82 0.00 0.00 66.70 66.70 2jfa h VAL 478 Cb 0.56 1.21 -0.07 0.00 -1.52 0.00 0.00 31.29 31.48 2jfa h VAL 478 CO 0.03 0.35 0.47 -0.07 0.02 0.00 0.00 177.57 178.37 2jfa h LEU 479 N 0.49 0.69 -0.88 2.57 3.38 -0.57 -0.86 115.31 120.14 2jfa h LEU 479 Ca 0.10 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.17 2jfa h LEU 479 Cb 0.52 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 2jfa h LEU 479 CO 0.03 0.42 0.55 0.44 0.09 0.00 0.00 178.44 179.96 2jfa h ASP 480 N 0.82 0.86 -0.77 -0.43 3.32 -0.69 -0.18 116.42 119.34 2jfa h ASP 480 Ca 0.37 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.43 2jfa h ASP 480 Cb 0.28 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 2jfa h ASP 480 CO -0.22 0.55 0.45 0.11 -1.72 0.00 0.00 179.24 178.41 2jfa h LYS 481 N 1.00 1.06 -0.39 3.56 1.79 -0.37 -0.74 116.57 122.48 2jfa h LYS 481 Ca 0.39 -0.11 -0.11 0.00 -2.18 0.00 0.00 60.65 58.64 2jfa h LYS 481 Cb 0.19 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 2jfa h LYS 481 CO -0.18 0.77 -0.21 0.82 -1.08 0.00 0.00 179.45 179.57 2jfa h ILE 482 N 1.06 1.27 -0.02 1.86 2.04 -0.48 -1.22 117.51 122.01 2jfa h ILE 482 Ca 0.27 -1.31 0.02 0.00 1.00 0.00 0.00 64.86 64.84 2jfa h ILE 482 Cb -0.00 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 2jfa h ILE 482 CO -0.05 0.44 -0.07 0.74 0.00 0.00 0.00 178.15 179.21 2jfa h THR 483 N 0.67 0.80 -0.86 -0.27 2.02 -0.77 -1.28 112.91 113.22 2jfa h THR 483 Ca 0.10 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.41 2jfa h THR 483 Cb 0.71 0.80 -0.07 0.00 -1.74 0.00 0.00 68.15 67.86 2jfa h THR 483 CO 0.05 0.00 0.56 0.44 0.37 0.00 0.00 175.52 176.94 2jfa h ASP 484 N -0.12 0.65 -0.32 4.18 3.32 -0.69 -1.35 116.42 122.10 2jfa h ASP 484 Ca 0.04 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 2jfa h ASP 484 Cb 0.17 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2jfa h ASP 484 CO -0.09 0.35 0.01 0.74 -1.72 0.00 0.00 179.24 178.53 2jfa h THR 485 N 0.70 1.25 -0.34 0.35 2.02 -0.68 -1.42 112.91 114.79 2jfa h THR 485 Ca 0.42 -0.92 0.01 0.00 0.77 0.00 0.00 66.41 66.70 2jfa h THR 485 Cb 0.64 1.23 -0.02 0.00 -1.74 0.00 0.00 68.15 68.26 2jfa h THR 485 CO -0.18 0.30 0.21 -0.07 0.37 0.00 0.00 175.52 176.14 2jfa h LEU 486 N 0.36 0.34 -1.08 2.58 3.38 -0.23 -1.36 115.31 119.29 2jfa h LEU 486 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2jfa h LEU 486 Cb 0.42 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2jfa h LEU 486 CO 0.01 0.25 0.41 0.40 0.09 0.00 0.00 178.44 179.60 2jfa h ILE 487 N 0.42 1.22 -0.66 1.22 1.08 -1.20 -2.11 117.51 117.48 2jfa h ILE 487 Ca 0.13 -0.56 -0.02 0.00 -0.39 0.00 0.00 64.86 64.02 2jfa h ILE 487 Cb -0.01 0.21 -0.03 0.00 -3.07 0.00 0.00 36.82 33.92 2jfa h ILE 487 CO -0.06 0.25 0.35 -0.74 -0.69 0.00 0.00 178.15 177.27 2jfa h HIS 488 N 1.05 0.92 -0.79 1.37 2.76 -0.77 0.67 115.15 120.35 2jfa h HIS 488 Ca 0.27 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.39 2jfa h HIS 488 Cb 0.03 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 28.66 2jfa h HIS 488 CO 0.01 0.66 0.42 -0.07 -1.30 0.00 0.00 177.93 177.66 2jfa h LEU 489 N 0.91 1.00 -0.42 0.26 3.38 -0.73 -0.73 115.31 118.98 2jfa h LEU 489 Ca 0.23 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 2jfa h LEU 489 Cb 0.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2jfa h LEU 489 CO -0.04 0.82 -0.13 0.24 0.09 0.00 0.00 178.44 179.42 2jfa h MET 490 N 1.10 0.83 -0.31 1.13 2.86 -0.86 -1.60 114.93 118.08 2jfa h MET 490 Ca 0.28 -0.33 -0.11 0.00 -2.06 0.00 0.00 59.70 57.48 2jfa h MET 490 Cb 0.05 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2jfa h MET 490 CO -0.04 0.96 -0.26 0.00 1.06 0.00 0.00 176.91 178.63 2jfa h ALA 491 N 0.85 0.97 -0.10 6.32 0.00 -0.65 -2.32 119.26 124.33 2jfa h ALA 491 Ca 0.10 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 2jfa h ALA 491 Cb 0.67 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2jfa h ALA 491 CO 0.05 0.60 -0.36 -0.22 0.00 0.00 0.00 179.25 179.32 2jfa h LYS 492 N 0.54 0.20 -0.00 0.00 3.64 -0.95 -2.73 116.57 117.27 2jfa h LYS 492 Ca 0.07 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2jfa h LYS 492 Cb 0.73 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2jfa h LYS 492 CO 0.06 0.54 -0.03 0.00 -2.27 0.00 0.00 179.45 177.75 2jfa n ALA 493 N -2.47 2.52 0.00 5.00 0.00 -0.62 -4.92 120.51 120.02 2jfa n ALA 493 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2jfa n ALA 493 Cb 0.43 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.43 2jfa n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jfa n GLY 494 N 1.34 0.84 3.77 0.00 0.00 -1.03 -5.08 105.19 105.02 2jfa n GLY 494 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2jfa n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jfa s LEU 495 N 0.00 3.83 0.89 0.99 1.43 -0.99 -5.00 118.68 119.83 2jfa s LEU 495 Ca 0.00 2.28 -0.11 0.00 -1.03 0.00 0.00 54.13 55.27 2jfa s LEU 495 Cb 0.00 -4.46 0.13 0.00 0.03 0.00 0.00 46.19 41.89 2jfa s LEU 495 CO 0.00 -1.19 1.10 0.42 0.23 0.00 0.00 176.35 176.91 2jfa s THR 496 N -1.65 2.67 0.18 5.49 -4.23 -1.26 -4.68 115.64 112.17 2jfa s THR 496 Ca 0.70 0.22 -0.16 0.00 -1.18 0.00 0.00 61.69 61.27 2jfa s THR 496 Cb -0.27 -2.56 0.15 0.00 1.34 0.00 0.00 72.50 71.15 2jfa s THR 496 CO 0.31 -0.29 1.64 -0.07 -0.54 0.00 0.00 174.62 175.68 2jfa h LEU 497 N -1.60 -0.53 -0.58 4.79 3.38 -1.99 0.29 115.31 119.07 2jfa h LEU 497 Ca -0.47 0.15 0.07 0.00 0.09 0.00 0.00 57.88 57.72 2jfa h LEU 497 Cb 1.27 0.33 -0.06 0.00 0.09 0.00 0.00 40.66 42.29 2jfa h LEU 497 CO 0.50 -0.18 0.27 -0.61 0.09 0.00 0.00 178.44 178.50 2jfa h GLN 498 N -0.03 0.48 0.00 1.13 4.15 -2.00 0.03 115.11 118.87 2jfa h GLN 498 Ca 0.23 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.55 2jfa h GLN 498 Cb 0.39 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 2jfa h GLN 498 CO -0.51 0.32 -0.36 1.96 -1.93 0.00 0.00 178.83 178.30 2jfa h GLN 499 N 0.49 0.00 0.25 1.69 4.20 -1.69 -1.72 115.11 118.33 2jfa h GLN 499 Ca 0.28 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 2jfa h GLN 499 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 2jfa h GLN 499 CO -0.23 0.36 -0.12 1.96 -0.67 0.00 0.00 178.83 180.14 2jfa h GLN 500 N 0.00 -0.32 -0.23 1.46 4.20 0.12 -2.25 115.11 118.10 2jfa h GLN 500 Ca -0.00 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 2jfa h GLN 500 Cb 0.71 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 2jfa h GLN 500 CO 0.05 0.02 0.04 0.45 -0.67 0.00 0.00 178.83 178.72 2jfa h HIS 501 N -0.71 0.32 -0.29 2.96 3.86 -0.98 -1.26 115.15 119.05 2jfa h HIS 501 Ca -0.03 -0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.05 2jfa h HIS 501 Cb 0.49 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 2jfa h HIS 501 CO 0.04 0.30 -0.26 1.96 0.86 0.00 0.00 177.93 180.83 2jfa h GLN 502 N 0.32 0.69 -0.27 2.45 4.20 -1.26 -1.78 115.11 119.45 2jfa h GLN 502 Ca 0.08 -0.35 -0.09 0.00 0.06 0.00 0.00 58.65 58.35 2jfa h GLN 502 Cb 0.16 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2jfa h GLN 502 CO -0.00 0.96 -0.17 -0.09 -0.67 0.00 0.00 178.83 178.86 2jfa h ARG 503 N 0.43 0.59 -0.34 1.46 2.43 -1.14 -1.27 114.38 116.54 2jfa h ARG 503 Ca 0.05 -0.27 0.07 0.00 -0.81 0.00 0.00 59.98 59.02 2jfa h ARG 503 Cb 0.82 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 30.29 2jfa h ARG 503 CO 0.07 0.85 -0.13 1.25 -1.51 0.00 0.00 179.97 180.50 2jfa h LEU 504 N 0.32 -0.45 -0.41 3.80 5.85 -1.19 0.08 115.31 123.31 2jfa h LEU 504 Ca 0.06 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.93 2jfa h LEU 504 Cb 0.69 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 2jfa h LEU 504 CO 0.05 -0.16 0.18 0.00 -0.34 0.00 0.00 178.44 178.17 2jfa h ALA 505 N 1.23 0.50 -0.54 1.25 0.00 -1.19 -1.00 119.26 119.53 2jfa h ALA 505 Ca 0.17 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.14 2jfa h ALA 505 Cb 0.32 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2jfa h ALA 505 CO -0.39 -0.19 0.31 1.96 0.00 0.00 0.00 179.25 180.94 2jfa h GLN 506 N 0.37 0.59 -0.52 0.00 4.20 -0.47 -0.11 115.11 119.17 2jfa h GLN 506 Ca 0.18 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 2jfa h GLN 506 Cb 0.12 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 2jfa h GLN 506 CO -0.15 0.39 0.09 -0.07 -0.67 0.00 0.00 178.83 178.42 2jfa h LEU 507 N 0.61 0.82 -0.69 1.46 3.38 -0.62 -2.64 115.31 117.62 2jfa h LEU 507 Ca 0.22 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 2jfa h LEU 507 Cb 0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2jfa h LEU 507 CO -0.12 0.86 -0.61 -0.07 0.09 0.00 0.00 178.44 178.60 2jfa h LEU 508 N 0.73 0.00 -1.29 1.67 3.38 -0.69 -2.64 115.31 116.47 2jfa h LEU 508 Ca 0.16 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 2jfa h LEU 508 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 2jfa h LEU 508 CO 0.01 0.61 -0.30 -0.07 0.09 0.00 0.00 178.44 178.77 2jfa h LEU 509 N 0.00 0.08 -1.62 1.67 3.38 -0.86 -1.89 115.31 116.07 2jfa h LEU 509 Ca -0.01 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2jfa h LEU 509 Cb 1.14 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2jfa h LEU 509 CO 0.08 0.39 -0.19 0.40 0.09 0.00 0.00 178.44 179.21 2jfa h ILE 510 N 0.08 0.72 -0.05 1.22 2.04 -1.10 -2.56 117.51 117.85 2jfa h ILE 510 Ca 0.01 -0.80 -0.06 0.00 1.00 0.00 0.00 64.86 65.01 2jfa h ILE 510 Cb 0.58 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 2jfa h ILE 510 CO 0.04 0.19 -0.26 -0.07 0.00 0.00 0.00 178.15 178.05 2jfa h LEU 511 N 0.00 0.08 -0.39 1.44 3.38 -1.31 -1.29 115.31 117.22 2jfa h LEU 511 Ca -0.00 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2jfa h LEU 511 Cb 0.48 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2jfa h LEU 511 CO 0.03 0.35 -0.47 0.77 0.09 0.00 0.00 178.44 179.20 2jfa h SER 512 N 0.08 0.00 -0.33 -0.43 4.64 -1.51 -0.83 113.55 115.17 2jfa h SER 512 Ca 0.01 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.19 2jfa h SER 512 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 2jfa h SER 512 CO 0.04 0.47 -0.31 -0.74 -0.87 0.00 0.00 176.83 175.42 2jfa h HIS 513 N 0.00 1.00 -0.56 4.77 -0.00 -1.27 -1.81 115.15 117.29 2jfa h HIS 513 Ca -0.00 -0.27 -0.06 0.00 -0.00 0.00 0.00 60.37 60.04 2jfa h HIS 513 Cb 1.21 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 28.37 2jfa h HIS 513 CO 0.00 1.05 0.12 0.82 -0.00 0.00 0.00 177.93 179.93 2jfa h ILE 514 N 0.72 1.23 -0.37 6.26 2.04 -0.99 -0.82 117.51 125.58 2jfa h ILE 514 Ca 0.08 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.08 2jfa h ILE 514 Cb 0.87 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 2jfa h ILE 514 CO 0.08 0.32 0.24 -0.09 0.00 0.00 0.00 178.15 178.70 2jfa h ARG 515 N 0.83 0.49 -0.47 2.37 9.65 -1.02 -0.44 114.38 125.80 2jfa h ARG 515 Ca 0.18 -0.03 0.02 0.00 -1.10 0.00 0.00 59.98 59.04 2jfa h ARG 515 Cb 0.32 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.76 2jfa h ARG 515 CO 0.00 0.34 0.28 1.25 2.80 0.00 0.00 179.97 184.64 2jfa h HIS 516 N 0.50 0.52 -0.51 2.20 2.76 -1.00 -0.72 115.15 118.91 2jfa h HIS 516 Ca 0.13 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 2jfa h HIS 516 Cb -0.04 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.73 2jfa h HIS 516 CO -0.05 0.30 0.23 0.52 -1.30 0.00 0.00 177.93 177.64 2jfa h MET 517 N 0.56 0.73 -0.47 5.26 2.86 -0.81 -0.87 114.93 122.20 2jfa h MET 517 Ca 0.19 -0.11 0.05 0.00 -2.06 0.00 0.00 59.70 57.76 2jfa h MET 517 Cb 0.01 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.50 2jfa h MET 517 CO -0.08 0.62 0.20 1.03 1.06 0.00 0.00 176.91 179.74 2jfa h SER 518 N 0.67 0.25 -0.66 1.22 0.87 -0.79 0.19 113.55 115.30 2jfa h SER 518 Ca 0.17 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.71 2jfa h SER 518 Cb 0.14 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.07 2jfa h SER 518 CO -0.02 0.18 0.15 0.78 -0.53 0.00 0.00 176.83 177.39 2jfa h ASN 519 N 0.40 1.02 -0.61 6.23 2.35 -0.71 -0.13 115.58 124.13 2jfa h ASN 519 Ca 0.22 -0.24 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 2jfa h ASN 519 Cb 0.18 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 2jfa h ASN 519 CO -0.19 1.00 0.10 0.11 -1.65 0.00 0.00 177.43 176.80 2jfa h LYS 520 N 1.00 1.04 0.10 0.81 6.56 -0.91 -2.46 116.57 122.71 2jfa h LYS 520 Ca 0.21 -0.27 -0.00 0.00 -1.06 0.00 0.00 60.65 59.52 2jfa h LYS 520 Cb 0.38 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.92 2jfa h LYS 520 CO 0.00 0.96 -0.05 0.78 -2.06 0.00 0.00 179.45 179.09 2jfa h GLY 521 N 1.04 -0.13 0.49 3.86 0.00 -0.06 -0.94 103.07 107.32 2jfa h GLY 521 Ca 0.19 0.05 0.11 0.00 0.00 0.00 0.00 47.33 47.68 2jfa h GLY 521 CO 0.01 -0.05 0.56 -0.33 0.00 0.00 0.00 176.54 176.73 2jfa h MET 522 N -0.14 0.88 -0.64 4.80 2.86 -1.00 0.33 114.93 122.03 2jfa h MET 522 Ca -0.01 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 2jfa h MET 522 Cb 0.11 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.54 2jfa h MET 522 CO 0.02 0.58 0.23 1.49 1.06 0.00 0.00 176.91 180.29 2jfa h GLU 523 N 0.91 0.99 -0.22 1.72 4.81 -1.19 0.71 114.58 122.30 2jfa h GLU 523 Ca 0.45 -0.20 -0.13 0.00 -0.13 0.00 0.00 59.36 59.35 2jfa h GLU 523 Cb 0.43 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.66 2jfa h GLU 523 CO -0.26 0.85 -0.39 1.25 -0.73 0.00 0.00 179.01 179.73 2jfa h HIS 524 N 0.92 0.81 0.03 0.92 2.76 -0.31 -2.93 115.15 117.35 2jfa h HIS 524 Ca 0.21 -0.29 -0.00 0.00 -2.20 0.00 0.00 60.37 58.09 2jfa h HIS 524 Cb 0.26 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.06 2jfa h HIS 524 CO 0.02 1.05 -0.02 -0.07 -1.30 0.00 0.00 177.93 177.61 2jfa h LEU 525 N 0.35 -0.04 -1.11 0.26 3.38 -0.20 -2.94 115.31 115.00 2jfa h LEU 525 Ca 0.01 -0.26 0.17 0.00 0.09 0.00 0.00 57.88 57.89 2jfa h LEU 525 Cb 0.98 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.65 2jfa h LEU 525 CO 0.09 0.24 0.61 0.22 0.09 0.00 0.00 178.44 179.69 2jfa h TYR 526 N -0.32 0.99 0.00 1.13 5.03 -0.96 -1.27 116.97 121.57 2jfa h TYR 526 Ca -0.00 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.34 2jfa h TYR 526 Cb 0.30 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.27 2jfa h TYR 526 CO 0.02 0.29 0.00 -1.13 -1.32 0.00 0.00 178.16 176.02 2jfa n SER 527 N -4.67 0.25 0.13 -2.11 3.41 -1.11 -2.27 113.62 107.25 2jfa n SER 527 Ca 0.21 0.54 -0.24 0.00 -0.26 0.00 0.00 58.87 59.12 2jfa n SER 527 Cb 0.52 -0.60 -0.16 0.00 -0.26 0.00 0.00 64.21 63.71 2jfa n SER 527 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 2jfa h MET 528 N 0.00 0.50 0.00 4.33 2.86 -1.12 -3.51 114.93 117.99 2jfa h MET 528 Ca 0.00 -0.85 0.00 0.00 -2.06 0.00 0.00 59.70 56.79 2jfa h MET 528 Cb 0.43 0.32 0.00 0.00 0.06 0.00 0.00 31.60 32.41 2jfa h MET 528 CO 0.00 1.41 0.00 1.63 1.06 0.00 0.00 176.91 181.01