#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jfa h ALA 307 N 0.00 1.58 -0.00 1.96 0.00 -1.99 -1.95 119.26 118.86 2jfa h ALA 307 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jfa h ALA 307 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2jfa h ALA 307 CO 0.00 0.24 -0.06 1.28 0.00 0.00 0.00 179.25 180.70 2jfa n LEU 308 N -4.54 0.25 -0.42 0.00 4.77 -1.26 -3.37 117.00 112.43 2jfa n LEU 308 Ca 0.16 0.13 0.11 0.00 -0.03 0.00 0.00 56.01 56.38 2jfa n LEU 308 Cb 0.29 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 2jfa n LEU 308 CO 0.31 0.05 0.29 -1.54 -1.33 0.00 0.00 177.39 175.16 2jfa n SER 309 N -1.11 1.85 -4.76 -1.43 3.41 -0.73 -4.97 113.62 105.87 2jfa n SER 309 Ca 0.14 -1.41 -0.40 0.00 -0.26 0.00 0.00 58.87 56.94 2jfa n SER 309 Cb 0.26 0.51 -0.04 0.00 -0.26 0.00 0.00 64.21 64.68 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 -2.54 4.51 0.77 1.04 1.43 -1.22 -5.05 118.68 117.62 2jfa s LEU 310 Ca 0.18 2.25 -0.12 0.00 -1.03 0.00 0.00 54.13 55.41 2jfa s LEU 310 Cb 0.18 -3.69 0.05 0.00 0.03 0.00 0.00 46.19 42.76 2jfa s LEU 310 CO 0.60 -0.19 1.10 0.42 0.23 0.00 0.00 176.35 178.52 2jfa s THR 311 N -1.22 3.11 0.16 5.49 -4.23 -1.26 -4.84 115.64 112.85 2jfa s THR 311 Ca 0.46 0.36 -0.17 0.00 -1.18 0.00 0.00 61.69 61.16 2jfa s THR 311 Cb -0.31 -3.22 0.04 0.00 1.34 0.00 0.00 72.50 70.35 2jfa s THR 311 CO 0.40 -0.47 1.71 0.00 -0.54 0.00 0.00 174.62 175.71 2jfa h ALA 312 N -0.94 0.31 -0.95 3.99 0.00 -1.94 0.15 119.26 119.88 2jfa h ALA 312 Ca -0.46 0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.63 2jfa h ALA 312 Cb 1.27 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 19.16 2jfa h ALA 312 CO 0.62 -0.40 0.61 -0.44 0.00 0.00 0.00 179.25 179.64 2jfa h ASP 313 N 0.10 0.92 -0.33 0.00 3.32 -1.96 -1.39 116.42 117.08 2jfa h ASP 313 Ca 0.17 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.16 2jfa h ASP 313 Cb 0.23 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2jfa h ASP 313 CO -0.28 0.55 -0.11 1.56 -1.72 0.00 0.00 179.24 179.24 2jfa h GLN 314 N 1.02 0.67 -0.44 3.56 4.20 -1.69 -1.91 115.11 120.53 2jfa h GLN 314 Ca 0.43 -0.27 0.02 0.00 0.06 0.00 0.00 58.65 58.89 2jfa h GLN 314 Cb 0.31 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 2jfa h GLN 314 CO -0.19 0.85 0.25 1.98 -0.67 0.00 0.00 178.83 181.05 2jfa h MET 315 N 0.44 0.48 -0.31 1.46 4.05 -0.54 0.08 114.93 120.59 2jfa h MET 315 Ca 0.08 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 2jfa h MET 315 Cb 0.63 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.30 2jfa h MET 315 CO 0.04 0.32 0.20 0.28 0.23 0.00 0.00 176.91 177.97 2jfa h VAL 316 N 0.49 1.10 -0.27 -5.77 2.07 -1.19 -0.79 116.25 111.88 2jfa h VAL 316 Ca 0.18 -0.22 0.04 0.00 0.82 0.00 0.00 66.70 67.52 2jfa h VAL 316 Cb 0.04 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 2jfa h VAL 316 CO -0.10 0.10 0.06 0.28 0.02 0.00 0.00 177.57 177.93 2jfa h SER 317 N 0.41 0.02 -0.39 0.57 0.02 -1.06 0.15 113.55 113.28 2jfa h SER 317 Ca 0.11 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.16 2jfa h SER 317 Cb -0.01 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 2jfa h SER 317 CO -0.02 0.05 0.08 0.00 -1.14 0.00 0.00 176.83 175.79 2jfa h ALA 318 N 1.20 0.42 -0.43 3.77 0.00 -0.67 0.35 119.26 123.89 2jfa h ALA 318 Ca 0.13 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 2jfa h ALA 318 Cb 0.13 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2jfa h ALA 318 CO -0.16 -0.32 -0.02 -0.07 0.00 0.00 0.00 179.25 178.67 2jfa h LEU 319 N 0.21 0.77 -0.47 0.00 3.38 -0.78 -1.01 115.31 117.41 2jfa h LEU 319 Ca 0.19 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2jfa h LEU 319 Cb 0.22 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2jfa h LEU 319 CO -0.24 0.91 0.27 -0.07 0.09 0.00 0.00 178.44 179.39 2jfa h LEU 320 N 0.62 0.58 -1.46 1.67 3.38 -0.38 -2.66 115.31 117.05 2jfa h LEU 320 Ca 0.12 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2jfa h LEU 320 Cb 0.53 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2jfa h LEU 320 CO 0.03 0.49 -0.27 0.44 0.09 0.00 0.00 178.44 179.21 2jfa h ASP 321 N 0.62 0.00 0.89 -0.43 5.19 -0.82 -2.79 116.42 119.08 2jfa h ASP 321 Ca 0.17 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 2jfa h ASP 321 Cb 0.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.54 2jfa h ASP 321 CO -0.03 0.27 0.00 0.00 -3.12 0.00 0.00 179.24 176.37 2jfa h ALA 322 N 1.73 1.00 -2.19 3.45 0.00 -0.82 -3.47 119.26 118.96 2jfa h ALA 322 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 2jfa h ALA 322 Cb 0.50 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.40 2jfa h ALA 322 CO 0.04 0.00 0.26 0.39 0.00 0.00 0.00 179.25 179.94 2jfa n GLU 323 N -2.42 1.63 -1.88 0.00 -0.58 -1.06 -4.69 120.64 111.65 2jfa n GLU 323 Ca 0.02 0.57 -0.30 0.00 -0.42 0.00 0.00 57.16 57.03 2jfa n GLU 323 Cb 0.27 -2.02 0.05 0.00 -0.57 0.00 0.00 31.44 29.17 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 -1.69 2.76 0.69 3.49 0.04 -1.26 -5.03 135.00 134.00 2jfa s PRO 324 Ca 0.58 0.43 -0.16 0.00 0.04 0.00 0.00 61.00 61.89 2jfa s PRO 324 Cb -0.65 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 31.89 2jfa s PRO 324 CO 0.61 -1.10 1.22 -1.25 0.04 0.00 0.00 177.00 176.51 2jfa s PRO 325 N -5.37 2.40 -0.18 0.56 0.04 -1.26 -5.00 135.00 126.18 2jfa s PRO 325 Ca 0.59 1.80 -0.26 0.00 0.04 0.00 0.00 61.00 63.17 2jfa s PRO 325 Cb -0.11 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 2jfa s PRO 325 CO 0.52 -1.64 0.89 0.42 0.04 0.00 0.00 177.00 177.22 2jfa s ILE 326 N -1.83 4.83 0.10 0.56 -1.09 -1.26 -5.05 121.20 117.46 2jfa s ILE 326 Ca 0.76 1.74 -0.08 0.00 -2.23 0.00 0.00 60.65 60.83 2jfa s ILE 326 Cb -0.30 -4.18 -0.06 0.00 -1.58 0.00 0.00 42.46 36.34 2jfa s ILE 326 CO 0.42 -0.03 0.40 -0.76 -1.23 0.00 0.00 174.94 173.74 2jfa s LEU 327 N 2.42 4.32 0.04 2.97 1.43 -1.26 -5.04 118.68 123.56 2jfa s LEU 327 Ca 0.40 0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 54.18 2jfa s LEU 327 Cb -0.16 -3.08 -0.05 0.00 0.03 0.00 0.00 46.19 42.93 2jfa s LEU 327 CO 0.11 0.13 0.28 -0.31 0.23 0.00 0.00 176.35 176.80 2jfa s TYR 328 N -1.48 3.55 0.80 0.29 1.51 -1.26 -4.35 117.35 116.41 2jfa s TYR 328 Ca 0.35 0.52 -0.11 0.00 -1.01 0.00 0.00 57.07 56.82 2jfa s TYR 328 Cb -0.13 -1.96 0.07 0.00 -0.11 0.00 0.00 41.96 39.83 2jfa s TYR 328 CO 0.20 0.57 1.10 0.45 -1.11 0.00 0.00 175.55 176.76 2jfa s SER 329 N -1.96 4.48 0.03 2.29 0.15 -1.26 -4.98 113.70 112.45 2jfa s SER 329 Ca 0.31 1.31 0.27 0.00 0.70 0.00 0.00 55.95 58.55 2jfa s SER 329 Cb -0.13 -2.04 0.95 0.00 -1.71 0.00 0.00 66.02 63.08 2jfa s SER 329 CO 0.19 -1.98 1.74 -0.62 1.20 0.00 0.00 173.24 173.78 2jfa n GLU 330 N -3.44 0.05 -1.64 5.44 1.02 -1.26 -4.91 120.64 115.90 2jfa n GLU 330 Ca 0.07 0.03 -0.46 0.00 -0.02 0.00 0.00 57.16 56.77 2jfa n GLU 330 Cb 0.56 -1.54 -0.03 0.00 -0.02 0.00 0.00 31.44 30.41 2jfa n GLU 330 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 2jfa n TYR 331 N -1.62 1.88 -3.78 -0.32 9.36 -1.26 -4.97 117.16 116.45 2jfa n TYR 331 Ca 0.06 0.50 -0.37 0.00 3.32 0.00 0.00 57.90 61.42 2jfa n TYR 331 Cb 0.35 -2.41 -0.12 0.00 -0.63 0.00 0.00 39.34 36.54 2jfa n TYR 331 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2jfa s ASP 332 N 0.26 5.22 0.33 2.98 -1.08 -1.26 -4.98 116.67 118.14 2jfa s ASP 332 Ca 0.71 -1.61 0.26 0.00 -0.52 0.00 0.00 52.55 51.39 2jfa s ASP 332 Cb -0.72 -1.83 1.09 0.00 -1.46 0.00 0.00 42.92 40.00 2jfa s ASP 332 CO 0.49 -0.43 1.78 1.55 0.52 0.00 0.00 175.17 179.08 2jfa h PRO 333 N 8.11 0.00 0.00 4.34 0.13 -1.93 -0.27 132.00 142.39 2jfa h PRO 333 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 2jfa h PRO 333 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2jfa h PRO 333 CO 0.65 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.67 2jfa n THR 334 N -2.44 0.00 -3.00 1.56 -2.24 -1.26 -3.76 114.28 103.15 2jfa n THR 334 Ca 0.02 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.55 2jfa n THR 334 Cb 0.24 -0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 67.91 2jfa n THR 334 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jfa n ARG 335 N -0.95 2.71 0.26 -0.78 1.74 -0.11 -4.94 116.66 114.58 2jfa n ARG 335 Ca 0.18 -4.52 0.16 0.00 -0.77 0.00 0.00 57.85 52.91 2jfa n ARG 335 Cb 0.08 -2.11 0.62 0.00 -1.02 0.00 0.00 32.46 30.03 2jfa n ARG 335 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2jfa h PRO 336 N 2.98 0.00 -0.17 5.56 0.13 -1.73 -3.06 132.00 135.71 2jfa h PRO 336 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2jfa h PRO 336 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 2jfa h PRO 336 CO 0.74 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.70 2jfa n PHE 337 N -3.01 0.21 -2.35 1.56 3.72 -1.26 -4.92 117.46 111.41 2jfa n PHE 337 Ca 0.01 -0.10 -0.31 0.00 -0.05 0.00 0.00 57.45 57.00 2jfa n PHE 337 Cb 0.32 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.84 2jfa n PHE 337 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2jfa s SER 338 N -1.76 6.47 -0.10 4.37 0.01 -1.16 -5.00 113.70 116.52 2jfa s SER 338 Ca 0.34 1.40 -0.29 0.00 1.31 0.00 0.00 55.95 58.71 2jfa s SER 338 Cb 0.21 -2.45 -0.05 0.00 0.21 0.00 0.00 66.02 63.94 2jfa s SER 338 CO 0.31 -0.63 1.70 -1.83 0.41 0.00 0.00 173.24 173.19 2jfa s GLU 339 N -4.39 4.02 0.06 12.44 1.03 -1.26 -5.00 118.70 125.61 2jfa s GLU 339 Ca 0.56 2.07 0.07 0.00 0.03 0.00 0.00 54.97 57.70 2jfa s GLU 339 Cb -0.10 -4.03 -0.03 0.00 -0.80 0.00 0.00 34.13 29.17 2jfa s GLU 339 CO 0.39 -1.04 -0.19 0.00 -1.33 0.00 0.00 175.26 173.09 2jfa s ALA 340 N 4.60 1.62 -0.29 -0.84 0.00 -1.26 -5.13 121.76 120.46 2jfa s ALA 340 Ca 0.75 -1.05 -0.06 0.00 0.00 0.00 0.00 51.96 51.60 2jfa s ALA 340 Cb -0.32 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.54 2jfa s ALA 340 CO 0.30 0.34 0.06 0.45 0.00 0.00 0.00 175.76 176.92 2jfa s SER 341 N -1.38 5.03 0.11 0.00 0.15 -1.26 -5.00 113.70 111.36 2jfa s SER 341 Ca 0.05 -0.76 -0.27 0.00 0.70 0.00 0.00 55.95 55.67 2jfa s SER 341 Cb -0.09 -1.85 -0.08 0.00 -1.71 0.00 0.00 66.02 62.29 2jfa s SER 341 CO 0.02 -0.19 1.63 -0.03 1.20 0.00 0.00 173.24 175.88 2jfa h MET 342 N 8.20 -0.45 -0.66 5.44 4.05 -2.00 -1.09 114.93 128.42 2jfa h MET 342 Ca -0.31 0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.08 2jfa h MET 342 Cb 1.12 0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.99 2jfa h MET 342 CO 0.60 -0.30 0.18 0.52 0.23 0.00 0.00 176.91 178.14 2jfa h MET 343 N -0.46 1.03 -0.26 0.39 2.86 -1.98 -0.42 114.93 116.09 2jfa h MET 343 Ca 0.04 -0.22 0.05 0.00 -2.06 0.00 0.00 59.70 57.50 2jfa h MET 343 Cb 0.50 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.97 2jfa h MET 343 CO -0.17 0.90 -0.03 0.78 1.06 0.00 0.00 176.91 179.45 2jfa h GLY 344 N 1.06 0.22 0.89 8.32 0.00 -1.93 0.36 103.07 112.00 2jfa h GLY 344 Ca 0.21 0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.55 2jfa h GLY 344 CO -0.00 -0.07 0.01 1.41 0.00 0.00 0.00 176.54 177.89 2jfa h LEU 345 N 0.04 0.53 -0.88 3.11 3.38 -0.76 -1.33 115.31 119.41 2jfa h LEU 345 Ca 0.12 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 2jfa h LEU 345 Cb 0.18 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2jfa h LEU 345 CO -0.23 0.70 0.21 -0.07 0.09 0.00 0.00 178.44 179.14 2jfa h LEU 346 N 0.35 0.97 -0.18 1.67 3.38 -0.93 -2.34 115.31 118.23 2jfa h LEU 346 Ca 0.09 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2jfa h LEU 346 Cb 0.42 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2jfa h LEU 346 CO 0.01 0.90 0.05 0.74 0.09 0.00 0.00 178.44 180.23 2jfa h THR 347 N 1.00 1.20 -0.95 0.22 2.02 -0.16 -0.09 112.91 116.15 2jfa h THR 347 Ca 0.22 -0.62 0.12 0.00 0.77 0.00 0.00 66.41 66.90 2jfa h THR 347 Cb 0.28 1.28 -0.08 0.00 -1.74 0.00 0.00 68.15 67.89 2jfa h THR 347 CO -0.01 0.19 0.58 -1.13 0.37 0.00 0.00 175.52 175.52 2jfa h ASN 348 N 0.10 0.83 0.08 4.18 -0.73 -1.16 -0.37 115.58 118.50 2jfa h ASN 348 Ca 0.06 0.05 -0.00 0.00 1.87 0.00 0.00 56.30 58.28 2jfa h ASN 348 Cb 0.25 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.74 2jfa h ASN 348 CO -0.00 0.43 -0.04 0.25 -0.37 0.00 0.00 177.43 177.70 2jfa h LEU 349 N 0.90 -0.09 -0.44 0.34 5.85 -1.17 -2.18 115.31 118.53 2jfa h LEU 349 Ca 0.48 -0.44 0.08 0.00 0.84 0.00 0.00 57.88 58.84 2jfa h LEU 349 Cb 0.49 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.48 2jfa h LEU 349 CO -0.28 0.42 0.03 0.00 -0.34 0.00 0.00 178.44 178.28 2jfa h ALA 350 N 0.20 0.44 -0.84 1.25 0.00 -0.61 0.24 119.26 119.93 2jfa h ALA 350 Ca -0.01 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2jfa h ALA 350 Cb 0.52 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 2jfa h ALA 350 CO 0.02 -0.37 0.39 -0.44 0.00 0.00 0.00 179.25 178.85 2jfa h ASP 351 N 0.15 1.11 0.22 0.00 3.32 -1.11 -0.22 116.42 119.89 2jfa h ASP 351 Ca 0.22 -0.14 -0.15 0.00 0.02 0.00 0.00 57.03 56.97 2jfa h ASP 351 Cb 0.31 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2jfa h ASP 351 CO -0.34 0.95 -0.59 0.03 -1.72 0.00 0.00 179.24 177.57 2jfa h ARG 352 N 1.21 0.37 -0.59 3.56 3.08 -0.69 -3.01 114.38 118.31 2jfa h ARG 352 Ca 0.29 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 2jfa h ARG 352 Cb 0.14 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2jfa h ARG 352 CO -0.03 0.85 0.05 0.93 -1.07 0.00 0.00 179.97 180.70 2jfa h GLU 353 N 0.28 0.98 -0.72 0.04 5.08 0.01 -3.03 114.58 117.23 2jfa h GLU 353 Ca -0.00 -0.27 0.05 0.00 -1.00 0.00 0.00 59.36 58.13 2jfa h GLU 353 Cb 1.11 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 2jfa h GLU 353 CO 0.10 0.94 0.43 1.25 -1.00 0.00 0.00 179.01 180.73 2jfa h LEU 354 N 0.92 0.68 -1.09 1.33 5.85 -0.93 0.18 115.31 122.25 2jfa h LEU 354 Ca 0.18 0.02 0.11 0.00 0.84 0.00 0.00 57.88 59.02 2jfa h LEU 354 Cb 0.47 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 2jfa h LEU 354 CO 0.02 0.45 0.62 0.58 -0.34 0.00 0.00 178.44 179.76 2jfa h VAL 355 N 0.81 0.94 0.00 1.05 2.07 -1.43 -1.52 116.25 118.17 2jfa h VAL 355 Ca 0.31 -0.33 -0.17 0.00 0.82 0.00 0.00 66.70 67.33 2jfa h VAL 355 Cb 0.12 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.76 2jfa h VAL 355 CO -0.15 0.17 -0.82 0.45 0.02 0.00 0.00 177.57 177.25 2jfa h HIS 356 N 0.96 0.00 -0.39 1.57 3.86 -0.85 -3.20 115.15 117.09 2jfa h HIS 356 Ca 0.47 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.60 2jfa h HIS 356 Cb 0.46 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 2jfa h HIS 356 CO -0.00 0.80 -0.08 1.98 0.86 0.00 0.00 177.93 181.49 2jfa h MET 357 N 0.00 0.67 -0.15 2.45 -1.53 0.21 -0.13 114.93 116.45 2jfa h MET 357 Ca -0.01 -0.20 -0.01 0.00 -3.44 0.00 0.00 59.70 56.04 2jfa h MET 357 Cb 1.62 -0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 32.59 2jfa h MET 357 CO 0.10 0.74 0.05 0.82 0.14 0.00 0.00 176.91 178.77 2jfa h ILE 358 N 0.62 1.17 -0.60 1.77 2.04 -1.37 0.22 117.51 121.35 2jfa h ILE 358 Ca 0.12 -0.50 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 2jfa h ILE 358 Cb 0.50 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 2jfa h ILE 358 CO 0.03 0.15 0.15 0.78 0.00 0.00 0.00 178.15 179.27 2jfa h ASN 359 N 0.08 0.86 -0.54 1.72 2.35 -1.51 -1.90 115.58 116.65 2jfa h ASN 359 Ca 0.05 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2jfa h ASN 359 Cb 0.19 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 2jfa h ASN 359 CO -0.00 0.83 0.35 -0.25 -1.65 0.00 0.00 177.43 176.71 2jfa h TRP 360 N 0.89 0.68 -0.94 1.19 7.01 -0.61 -2.92 115.95 121.25 2jfa h TRP 360 Ca 0.19 0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.32 2jfa h TRP 360 Cb 0.30 -0.23 -0.08 0.00 -2.10 0.00 0.00 29.16 27.05 2jfa h TRP 360 CO 0.02 0.44 0.57 0.00 -2.79 0.00 0.00 178.44 176.68 2jfa h ALA 361 N 1.19 1.39 0.00 2.65 0.00 0.22 0.08 119.26 124.79 2jfa h ALA 361 Ca 0.20 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2jfa h ALA 361 Cb -0.07 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 2jfa h ALA 361 CO -0.04 0.18 -0.04 0.87 0.00 0.00 0.00 179.25 180.22 2jfa h LYS 362 N 0.92 0.00 -0.01 0.00 1.57 -1.27 -1.67 116.57 116.11 2jfa h LYS 362 Ca 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 2jfa h LYS 362 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2jfa h LYS 362 CO -0.26 0.04 -0.38 0.54 -0.57 0.00 0.00 179.45 178.82 2jfa n ARG 363 N -3.68 0.63 -2.50 3.15 1.74 -0.01 -4.60 116.66 111.39 2jfa n ARG 363 Ca -0.03 -0.40 -0.43 0.00 -0.77 0.00 0.00 57.85 56.23 2jfa n ARG 363 Cb 0.13 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.06 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 -2.65 4.40 0.15 1.55 1.01 -0.63 -4.87 120.40 119.36 2jfa s VAL 364 Ca 0.20 1.70 -0.34 0.00 0.00 0.00 0.00 61.98 63.53 2jfa s VAL 364 Cb 0.18 -4.09 -0.14 0.00 0.00 0.00 0.00 36.38 32.33 2jfa s VAL 364 CO 0.59 -0.10 1.56 -2.65 0.00 0.00 0.00 175.10 174.50 2jfa n PRO 365 N 6.07 2.05 0.00 2.72 -0.02 -1.26 -1.62 135.00 142.93 2jfa n PRO 365 Ca 0.12 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2jfa n PRO 365 Cb 0.46 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 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 3.34 2.73 0.10 -1.23 0.00 -1.26 -4.95 105.19 103.92 2jfa n GLY 366 Ca 0.17 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 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 0.23 0.00 1.61 3.57 -1.58 -2.22 116.94 118.54 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 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.66 2jfa h PHE 367 CO 0.00 0.14 0.00 1.33 -2.23 0.00 0.00 178.31 177.55 2jfa n VAL 368 N -4.97 0.42 0.30 1.41 0.24 -1.26 -2.10 118.33 112.38 2jfa n VAL 368 Ca -0.03 0.09 0.17 0.00 -2.04 0.00 0.00 64.34 62.53 2jfa n VAL 368 Cb 0.03 -0.71 0.71 0.00 -1.47 0.00 0.00 33.84 32.40 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 -4.52 -1.34 3.32 -1.78 -3.45 116.42 108.65 2jfa h ASP 369 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 2jfa h ASP 369 Cb 0.41 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.05 2jfa h ASP 369 CO 0.00 0.00 0.41 -0.76 -1.72 0.00 0.00 179.24 177.17 2jfa s LEU 370 N -5.84 2.72 0.77 1.55 1.43 -0.89 -5.04 118.68 113.38 2jfa s LEU 370 Ca 0.01 1.01 -0.11 0.00 -1.03 0.00 0.00 54.13 54.01 2jfa s LEU 370 Cb 0.09 -3.67 0.05 0.00 0.03 0.00 0.00 46.19 42.69 2jfa s LEU 370 CO 0.49 -1.60 1.09 0.42 0.23 0.00 0.00 176.35 176.99 2jfa s THR 371 N -3.43 3.30 0.18 5.49 -4.23 -1.26 -4.84 115.64 110.85 2jfa s THR 371 Ca 0.60 0.44 -0.13 0.00 -1.18 0.00 0.00 61.69 61.41 2jfa s THR 371 Cb -0.11 -2.92 0.09 0.00 1.34 0.00 0.00 72.50 70.90 2jfa s THR 371 CO 0.51 -0.54 1.85 0.25 -0.54 0.00 0.00 174.62 176.15 2jfa h LEU 372 N -1.04 0.65 -0.79 4.79 5.85 -1.96 -0.01 115.31 122.81 2jfa h LEU 372 Ca -0.44 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.31 2jfa h LEU 372 Cb 1.23 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 2jfa h LEU 372 CO 0.51 0.47 0.49 -0.74 -0.34 0.00 0.00 178.44 178.84 2jfa h HIS 373 N 0.77 0.92 -0.00 1.25 2.76 -1.99 -1.07 115.15 117.79 2jfa h HIS 373 Ca 0.22 0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 58.24 2jfa h HIS 373 Cb -0.07 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 28.57 2jfa h HIS 373 CO -0.04 0.50 -0.81 -0.44 -1.30 0.00 0.00 177.93 175.84 2jfa h ASP 374 N 0.94 0.15 -0.15 3.26 3.32 -1.84 -1.50 116.42 120.59 2jfa h ASP 374 Ca 0.33 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 2jfa h ASP 374 Cb 0.08 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2jfa h ASP 374 CO -0.14 0.89 0.07 1.56 -1.72 0.00 0.00 179.24 179.91 2jfa h GLN 375 N 0.07 0.22 -0.34 3.56 4.20 -0.47 -1.07 115.11 121.27 2jfa h GLN 375 Ca -0.02 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.71 2jfa h GLN 375 Cb 1.41 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 29.10 2jfa h GLN 375 CO 0.12 0.26 0.02 0.28 -0.67 0.00 0.00 178.83 178.84 2jfa h VAL 376 N 0.12 0.77 -0.73 -0.54 2.07 -1.17 -2.77 116.25 114.00 2jfa h VAL 376 Ca 0.05 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 2jfa h VAL 376 Cb 0.11 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 2jfa h VAL 376 CO -0.01 0.02 0.43 -0.74 0.02 0.00 0.00 177.57 177.30 2jfa h HIS 377 N 0.13 0.98 -0.33 1.57 -0.00 -1.01 -0.87 115.15 115.62 2jfa h HIS 377 Ca 0.17 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.54 2jfa h HIS 377 Cb 0.21 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.28 2jfa h HIS 377 CO -0.22 0.67 0.20 -0.07 -0.00 0.00 0.00 177.93 178.50 2jfa h LEU 378 N 1.01 0.33 -0.54 0.26 3.38 -1.03 -0.59 115.31 118.11 2jfa h LEU 378 Ca 0.26 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.10 2jfa h LEU 378 Cb -0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2jfa h LEU 378 CO -0.05 0.24 -0.30 -0.07 0.09 0.00 0.00 178.44 178.35 2jfa h LEU 379 N 0.40 0.89 -1.03 1.67 3.38 -1.29 -0.52 115.31 118.81 2jfa h LEU 379 Ca 0.13 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 2jfa h LEU 379 Cb -0.01 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 2jfa h LEU 379 CO -0.05 1.12 0.47 -0.08 0.09 0.00 0.00 178.44 179.99 2jfa h GLU 380 N 0.72 1.15 0.00 1.13 4.81 -0.78 -0.99 114.58 120.62 2jfa h GLU 380 Ca 0.08 -0.12 -0.18 0.00 -0.13 0.00 0.00 59.36 59.01 2jfa h GLU 380 Cb 0.85 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 2jfa h GLU 380 CO 0.07 0.83 -0.88 0.00 -0.73 0.00 0.00 179.01 178.30 2jfa n ALA 382 N -2.37 3.77 -0.35 0.00 0.00 -0.22 -4.71 120.51 116.63 2jfa n ALA 382 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2jfa n ALA 382 Cb 0.84 -0.73 0.14 0.00 0.00 0.00 0.00 19.45 19.70 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 1.16 -0.33 0.00 5.08 -1.39 -0.31 115.95 120.17 2jfa h TRP 383 Ca 0.00 0.03 -0.17 0.00 1.08 0.00 0.00 58.89 59.83 2jfa h TRP 383 Cb 0.71 -0.38 -0.00 0.00 -3.00 0.00 0.00 29.16 26.48 2jfa h TRP 383 CO 0.00 0.65 -0.46 1.25 -1.28 0.00 0.00 178.44 178.61 2jfa h LEU 384 N 1.19 0.95 -0.55 0.11 5.85 -1.86 -0.93 115.31 120.06 2jfa h LEU 384 Ca 0.39 -0.47 0.06 0.00 0.84 0.00 0.00 57.88 58.70 2jfa h LEU 384 Cb 0.03 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 2jfa h LEU 384 CO -0.13 1.25 0.25 -0.33 -0.34 0.00 0.00 178.44 179.15 2jfa h GLU 385 N 0.69 0.46 -0.65 1.25 5.08 -1.57 0.50 114.58 120.34 2jfa h GLU 385 Ca 0.04 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 2jfa h GLU 385 Cb 1.05 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 2jfa h GLU 385 CO 0.11 0.31 0.10 0.82 -1.00 0.00 0.00 179.01 179.35 2jfa h ILE 386 N 0.48 1.26 -0.60 3.13 2.04 -0.79 -0.03 117.51 123.00 2jfa h ILE 386 Ca 0.26 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 65.09 2jfa h ILE 386 Cb 0.22 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2jfa h ILE 386 CO -0.21 0.39 0.38 -0.07 0.00 0.00 0.00 178.15 178.63 2jfa h LEU 387 N 1.00 0.70 -0.40 1.44 3.38 -0.73 -2.28 115.31 118.43 2jfa h LEU 387 Ca 0.20 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 2jfa h LEU 387 Cb 0.44 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2jfa h LEU 387 CO 0.01 0.53 -0.23 0.24 0.09 0.00 0.00 178.44 179.09 2jfa h MET 388 N 0.81 0.85 -0.15 1.13 2.86 -0.36 -1.42 114.93 118.66 2jfa h MET 388 Ca 0.22 -0.39 -0.11 0.00 -2.06 0.00 0.00 59.70 57.35 2jfa h MET 388 Cb -0.06 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 2jfa h MET 388 CO -0.04 1.03 -0.41 0.97 1.06 0.00 0.00 176.91 179.51 2jfa h ILE 389 N 0.67 1.31 -0.64 -1.22 2.10 -0.91 -0.57 117.51 118.24 2jfa h ILE 389 Ca 0.08 -1.54 -0.03 0.00 1.08 0.00 0.00 64.86 64.45 2jfa h ILE 389 Cb 0.79 1.65 -0.03 0.00 -1.09 0.00 0.00 36.82 38.15 2jfa h ILE 389 CO 0.07 0.47 0.28 1.23 -1.08 0.00 0.00 178.15 179.12 2jfa h GLY 390 N 1.18 1.01 0.96 8.18 0.00 -1.19 -0.07 103.07 113.13 2jfa h GLY 390 Ca 0.02 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 2jfa h GLY 390 CO 0.07 0.50 -0.06 -2.00 0.00 0.00 0.00 176.54 175.05 2jfa h LEU 391 N 0.89 -0.13 -0.88 3.11 5.85 -0.72 -1.63 115.31 121.80 2jfa h LEU 391 Ca 0.22 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.95 2jfa h LEU 391 Cb 0.16 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 2jfa h LEU 391 CO -0.02 -0.05 0.56 0.58 -0.34 0.00 0.00 178.44 179.16 2jfa h VAL 392 N -0.21 1.09 -0.19 1.05 2.07 -0.98 -0.28 116.25 118.81 2jfa h VAL 392 Ca -0.02 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 2jfa h VAL 392 Cb 0.16 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 2jfa h VAL 392 CO 0.03 0.19 0.02 -0.25 0.02 0.00 0.00 177.57 177.58 2jfa h TRP 393 N 1.05 0.34 0.00 1.57 2.91 -0.75 -2.78 115.95 118.28 2jfa h TRP 393 Ca 0.37 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.34 2jfa h TRP 393 Cb 0.10 -0.09 0.00 0.00 -0.51 0.00 0.00 29.16 28.65 2jfa h TRP 393 CO -0.02 0.48 0.00 2.89 -1.03 0.00 0.00 178.44 180.76 2jfa n ARG 394 N -4.75 0.10 0.00 2.65 1.85 -0.63 -2.28 116.66 113.60 2jfa n ARG 394 Ca -0.04 0.17 0.13 0.00 -1.00 0.00 0.00 57.85 57.11 2jfa n ARG 394 Cb 0.20 -1.63 0.49 0.00 -1.05 0.00 0.00 32.46 30.46 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 -1.81 0.50 -0.23 2.89 7.64 -0.17 -4.46 113.62 117.98 2jfa n SER 395 Ca 0.05 -0.40 0.01 0.00 1.01 0.00 0.00 58.87 59.54 2jfa n SER 395 Cb 0.31 -0.03 0.13 0.00 -1.01 0.00 0.00 64.21 63.61 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 0.47 0.54 -0.79 1.43 2.86 -1.25 -0.57 114.93 117.62 2jfa h MET 396 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2jfa h MET 396 Cb 0.44 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.97 2jfa h MET 396 CO 0.00 0.36 0.00 0.39 1.06 0.00 0.00 176.91 178.72 2jfa n GLU 397 N -4.89 2.21 -3.15 1.72 -0.58 -1.26 -4.35 120.64 110.34 2jfa n GLU 397 Ca 0.10 -1.02 -0.22 0.00 -0.42 0.00 0.00 57.16 55.60 2jfa n GLU 397 Cb 0.27 -1.69 -0.05 0.00 -0.57 0.00 0.00 31.44 29.40 2jfa n GLU 397 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2jfa n HIS 398 N 0.21 1.54 -1.56 -0.32 8.25 -0.22 -5.11 115.22 118.01 2jfa n HIS 398 Ca 0.09 -3.86 -0.46 0.00 -0.26 0.00 0.00 57.72 53.23 2jfa n HIS 398 Cb 0.52 -0.44 -0.02 0.00 1.12 0.00 0.00 29.99 31.17 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 0.39 1.09 -0.93 -0.41 -0.02 -1.26 -0.82 135.00 133.04 2jfa n PRO 399 Ca 0.27 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2jfa n PRO 399 Cb 0.54 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 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 1.50 0.87 3.03 -1.23 0.00 -1.26 -5.01 105.19 103.09 2jfa n GLY 400 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.14 0.45 -0.20 1.61 1.02 -0.00 -2.06 119.74 120.43 2jfa s LYS 401 Ca 0.00 -0.75 -0.05 0.00 0.02 0.00 0.00 55.97 55.19 2jfa s LYS 401 Cb 0.00 -0.06 -0.02 0.00 -0.52 0.00 0.00 37.83 37.22 2jfa s LYS 401 CO 0.00 -0.01 -0.01 -0.51 -0.92 0.00 0.00 175.35 173.90 2jfa s LEU 402 N -1.70 3.25 -1.17 3.17 1.43 -0.06 -4.80 118.68 118.79 2jfa s LEU 402 Ca -0.10 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 2jfa s LEU 402 Cb -0.08 -1.82 0.22 0.00 0.03 0.00 0.00 46.19 44.54 2jfa s LEU 402 CO -0.01 0.08 1.34 -0.11 0.23 0.00 0.00 176.35 177.87 2jfa n LEU 403 N 4.17 5.48 -0.13 1.79 0.00 -1.26 -1.35 117.00 125.70 2jfa n LEU 403 Ca -0.17 -4.73 0.02 0.00 0.00 0.00 0.00 56.01 51.12 2jfa n LEU 403 Cb 0.52 -1.54 0.31 0.00 0.00 0.00 0.00 43.42 42.71 2jfa n LEU 403 CO 0.32 1.05 1.19 -0.26 0.00 0.00 0.00 177.39 179.69 2jfa h PHE 404 N 6.78 0.77 -3.14 1.96 0.04 -1.79 -3.44 116.94 118.12 2jfa h PHE 404 Ca 0.26 0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.99 2jfa h PHE 404 Cb 0.84 -0.26 -0.15 0.00 2.20 0.00 0.00 35.95 38.59 2jfa h PHE 404 CO 0.97 0.50 -0.05 0.00 -0.60 0.00 0.00 178.31 179.13 2jfa s ALA 405 N -5.67 -1.07 0.61 2.45 0.00 -1.10 -4.95 121.76 112.04 2jfa s ALA 405 Ca -0.10 0.21 0.32 0.00 0.00 0.00 0.00 51.96 52.39 2jfa s ALA 405 Cb 0.17 0.54 1.83 0.00 0.00 0.00 0.00 23.12 25.67 2jfa s ALA 405 CO 0.76 -0.57 2.17 -1.35 0.00 0.00 0.00 175.76 176.78 2jfa h PRO 406 N 2.62 0.00 -0.45 0.00 0.11 -1.86 0.23 132.00 132.64 2jfa h PRO 406 Ca -0.33 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 2jfa h PRO 406 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 2jfa h PRO 406 CO 0.44 0.00 0.02 0.27 -0.21 0.00 0.00 178.00 178.52 2jfa n ASN 407 N -3.61 4.87 -3.13 -2.05 6.94 -1.26 -4.67 115.26 112.35 2jfa n ASN 407 Ca -0.01 -3.01 -0.19 0.00 -0.02 0.00 0.00 54.58 51.36 2jfa n ASN 407 Cb 0.22 -0.63 -0.05 0.00 -2.36 0.00 0.00 39.78 36.96 2jfa n ASN 407 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2jfa n LEU 408 N 0.07 -1.42 -4.47 -4.53 7.94 0.80 -4.88 117.00 110.50 2jfa n LEU 408 Ca 0.26 -3.93 -0.43 0.00 -1.11 0.00 0.00 56.01 50.81 2jfa n LEU 408 Cb 1.09 0.65 -0.10 0.00 0.53 0.00 0.00 43.42 45.59 2jfa n LEU 408 CO 0.26 1.93 -0.06 -0.22 -1.11 0.00 0.00 177.39 178.19 2jfa s LEU 409 N 0.03 5.04 -0.16 -1.96 2.96 -1.25 -2.15 118.68 121.18 2jfa s LEU 409 Ca 0.32 -0.84 -0.04 0.00 -0.22 0.00 0.00 54.13 53.35 2jfa s LEU 409 Cb 0.06 -2.18 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 2jfa s LEU 409 CO -0.15 -0.44 -0.02 -0.76 -1.32 0.00 0.00 176.35 173.65 2jfa s LEU 410 N 1.72 3.30 0.55 -0.68 1.43 -0.45 -4.94 118.68 119.61 2jfa s LEU 410 Ca 0.06 -0.12 -0.21 0.00 -1.03 0.00 0.00 54.13 52.83 2jfa s LEU 410 Cb -0.19 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 2jfa s LEU 410 CO 0.10 0.16 1.24 -0.62 0.23 0.00 0.00 176.35 177.46 2jfa s ASP 411 N 0.45 5.43 0.23 2.29 2.15 -1.26 -0.89 116.67 125.07 2jfa s ASP 411 Ca -0.03 2.49 0.02 0.00 0.43 0.00 0.00 52.55 55.46 2jfa s ASP 411 Cb -0.14 -2.61 0.58 0.00 -0.30 0.00 0.00 42.92 40.45 2jfa s ASP 411 CO 0.03 -1.44 1.16 -1.14 -0.17 0.00 0.00 175.17 173.61 2jfa n ARG 412 N -1.17 -0.06 0.17 4.34 0.00 -0.87 -1.21 116.66 117.85 2jfa n ARG 412 Ca 0.11 1.11 0.13 0.00 -0.00 0.00 0.00 57.85 59.20 2jfa n ARG 412 Cb 0.48 -1.77 0.55 0.00 0.00 0.00 0.00 32.46 31.72 2jfa n ARG 412 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.63 174.68 2jfa h ASN 413 N 0.00 0.00 0.49 6.15 -0.00 -1.91 -1.41 115.58 118.90 2jfa h ASN 413 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.75 2jfa h ASN 413 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.26 2jfa h ASN 413 CO -0.70 0.00 0.00 1.56 -0.00 0.00 0.00 177.43 178.29 2jfa h GLN 414 N 0.00 0.00 -0.90 4.14 1.08 -1.52 -2.25 115.11 115.65 2jfa h GLN 414 Ca 0.00 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.34 2jfa h GLN 414 Cb 0.38 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.72 2jfa h GLN 414 CO 0.00 0.00 0.52 0.78 -0.95 0.00 0.00 178.83 179.18 2jfa h GLY 415 N 1.15 1.48 -5.43 3.46 0.00 -1.41 -3.38 103.07 98.94 2jfa h GLY 415 Ca 0.00 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 46.93 2jfa h GLY 415 CO 0.00 0.04 1.01 0.28 0.00 0.00 0.00 176.54 177.87 2jfa n LYS 416 N -4.77 0.49 0.00 4.80 5.02 -0.85 -3.65 118.16 119.20 2jfa n LYS 416 Ca 0.18 -0.52 0.00 0.00 -2.02 0.00 0.00 58.31 55.94 2jfa n LYS 416 Cb 0.40 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 2jfa n LYS 416 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2jfa n VAL 418 N 4.01 0.00 -1.64 -0.18 0.31 -1.26 -4.98 118.33 114.58 2jfa n VAL 418 Ca 0.10 0.00 -0.47 0.00 -0.01 0.00 0.00 64.34 63.97 2jfa n VAL 418 Cb 0.08 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.98 2jfa n VAL 418 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2jfa n GLU 419 N 0.00 1.75 -0.98 5.55 4.71 -1.26 -1.75 120.64 128.66 2jfa n GLU 419 Ca 0.00 0.62 0.00 0.00 -0.01 0.00 0.00 57.16 57.77 2jfa n GLU 419 Cb 0.00 -2.25 0.00 0.00 -1.01 0.00 0.00 31.44 28.18 2jfa n GLU 419 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jfa n GLY 420 N 2.31 0.42 0.07 0.62 0.00 -1.26 -4.89 105.19 102.45 2jfa n GLY 420 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.90 0.64 -0.04 1.61 0.00 -0.72 -4.35 117.12 112.35 2jfa n MET 421 Ca 0.00 0.01 -0.05 0.00 -0.00 0.00 0.00 57.70 57.66 2jfa n MET 421 Cb 0.12 -1.68 0.17 0.00 0.00 0.00 0.00 33.22 31.83 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 -0.65 1.12 3.04 -1.76 -1.57 116.25 117.69 2jfa h VAL 422 Ca -0.08 -1.19 0.04 0.00 -1.01 0.00 0.00 66.70 64.46 2jfa h VAL 422 Cb 1.22 1.17 -0.05 0.00 -2.01 0.00 0.00 31.29 31.62 2jfa h VAL 422 CO 0.01 0.39 0.38 -0.33 -1.01 0.00 0.00 177.57 177.02 2jfa h GLU 423 N 0.57 0.72 -0.08 4.17 3.07 -1.94 0.23 114.58 121.32 2jfa h GLU 423 Ca 0.09 -0.04 -0.21 0.00 -0.50 0.00 0.00 59.36 58.70 2jfa h GLU 423 Cb 0.61 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 2jfa h GLU 423 CO 0.04 0.47 -0.82 0.82 -1.40 0.00 0.00 179.01 178.13 2jfa h ILE 424 N 0.74 1.35 -0.30 3.13 1.08 -1.73 -2.06 117.51 119.72 2jfa h ILE 424 Ca 0.27 -2.17 0.05 0.00 -0.39 0.00 0.00 64.86 62.62 2jfa h ILE 424 Cb 0.09 2.16 -0.04 0.00 -3.07 0.00 0.00 36.82 35.96 2jfa h ILE 424 CO -0.13 0.66 0.04 -0.26 -0.69 0.00 0.00 178.15 177.76 2jfa h PHE 425 N 0.35 0.05 -0.71 1.37 -1.00 -0.74 0.10 116.94 116.37 2jfa h PHE 425 Ca -0.06 0.02 0.05 0.00 2.81 0.00 0.00 57.97 60.79 2jfa h PHE 425 Cb 1.43 0.02 -0.05 0.00 3.61 0.00 0.00 35.95 40.96 2jfa h PHE 425 CO 0.06 -0.01 0.42 -0.44 -1.61 0.00 0.00 178.31 176.74 2jfa h ASP 426 N 0.13 0.65 -0.68 2.17 3.32 -0.79 0.54 116.42 121.77 2jfa h ASP 426 Ca 0.14 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 2jfa h ASP 426 Cb 0.17 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 2jfa h ASP 426 CO -0.21 0.43 0.24 0.24 -1.72 0.00 0.00 179.24 178.22 2jfa h MET 427 N 0.79 1.03 -0.31 3.56 2.86 -0.94 0.10 114.93 122.02 2jfa h MET 427 Ca 0.31 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 2jfa h MET 427 Cb 0.13 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 2jfa h MET 427 CO -0.16 0.88 0.12 -0.07 1.06 0.00 0.00 176.91 178.74 2jfa h LEU 428 N 0.98 0.44 -0.89 1.22 3.38 -0.31 -1.59 115.31 118.53 2jfa h LEU 428 Ca 0.22 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2jfa h LEU 428 Cb 0.26 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 2jfa h LEU 428 CO -0.01 0.49 0.58 -0.07 0.09 0.00 0.00 178.44 179.53 2jfa h LEU 429 N 0.35 0.99 -0.89 1.67 3.38 -0.62 -0.48 115.31 119.71 2jfa h LEU 429 Ca 0.10 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2jfa h LEU 429 Cb 0.20 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2jfa h LEU 429 CO -0.01 0.70 0.26 0.00 0.09 0.00 0.00 178.44 179.49 2jfa h ALA 430 N 1.34 1.11 -0.54 1.53 0.00 -0.61 -0.84 119.26 121.26 2jfa h ALA 430 Ca 0.34 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 2jfa h ALA 430 Cb -0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 2jfa h ALA 430 CO -0.09 0.62 -0.10 1.15 0.00 0.00 0.00 179.25 180.84 2jfa h THR 431 N 1.04 1.27 -0.54 0.00 2.02 -0.58 -1.35 112.91 114.77 2jfa h THR 431 Ca 0.24 -1.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.15 2jfa h THR 431 Cb 0.24 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 2jfa h THR 431 CO -0.02 0.44 0.24 -1.28 0.37 0.00 0.00 175.52 175.28 2jfa h SER 432 N 0.89 0.72 -0.18 4.18 0.87 -0.71 -1.39 113.55 117.92 2jfa h SER 432 Ca 0.14 -0.14 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 2jfa h SER 432 Cb 0.66 -0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 62.38 2jfa h SER 432 CO 0.05 0.66 -0.18 0.28 -0.53 0.00 0.00 176.83 177.11 2jfa h SER 433 N 0.73 -0.56 -0.82 6.23 0.02 -1.02 -1.45 113.55 116.67 2jfa h SER 433 Ca 0.18 0.11 0.09 0.00 -0.84 0.00 0.00 61.79 61.33 2jfa h SER 433 Cb 0.15 0.27 -0.07 0.00 0.14 0.00 0.00 62.40 62.89 2jfa h SER 433 CO -0.02 -0.22 0.47 -0.09 -1.14 0.00 0.00 176.83 175.83 2jfa h ARG 434 N -0.20 0.79 -0.58 3.45 9.65 -0.88 0.91 114.38 127.53 2jfa h ARG 434 Ca 0.12 -0.05 -0.05 0.00 -1.10 0.00 0.00 59.98 58.90 2jfa h ARG 434 Cb 0.37 -0.18 -0.03 0.00 -1.39 0.00 0.00 29.97 28.74 2jfa h ARG 434 CO -0.30 0.52 0.17 0.74 2.80 0.00 0.00 179.97 183.91 2jfa h PHE 435 N 0.81 0.89 0.45 2.20 0.04 -0.86 -2.37 116.94 118.11 2jfa h PHE 435 Ca 0.39 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 61.06 2jfa h PHE 435 Cb 0.32 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 38.21 2jfa h PHE 435 CO -0.06 0.72 -0.22 -0.09 -0.60 0.00 0.00 178.31 178.07 2jfa h ARG 436 N 0.84 -0.59 -0.58 1.51 2.43 -0.08 -1.69 114.38 116.23 2jfa h ARG 436 Ca 0.19 0.04 0.17 0.00 -0.81 0.00 0.00 59.98 59.57 2jfa h ARG 436 Cb 0.25 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2jfa h ARG 436 CO -0.01 -0.34 0.43 0.52 -1.51 0.00 0.00 179.97 179.07 2jfa h MET 437 N -0.72 0.00 -0.01 0.20 2.86 -0.82 -1.22 114.93 115.22 2jfa h MET 437 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2jfa h MET 437 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2jfa h MET 437 CO 0.10 0.00 -0.27 -1.33 1.06 0.00 0.00 176.91 176.47 2jfa n MET 438 N -4.28 1.01 -3.96 1.72 2.81 -0.90 -4.97 117.12 108.54 2jfa n MET 438 Ca 0.11 -0.66 -0.28 0.00 -1.81 0.00 0.00 57.70 55.06 2jfa n MET 438 Cb 0.67 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.67 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 -0.42 -1.01 -4.65 7.83 3.02 -0.46 -4.88 115.26 114.70 2jfa n ASN 439 Ca 0.12 -1.05 -0.49 0.00 -0.03 0.00 0.00 54.58 53.13 2jfa n ASN 439 Cb 0.38 -2.86 -0.05 0.00 -0.61 0.00 0.00 39.78 36.64 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 -4.43 2.62 -4.90 3.41 7.94 -0.77 -4.96 117.00 115.90 2jfa n LEU 440 Ca -0.28 1.08 -0.29 0.00 -1.11 0.00 0.00 56.01 55.42 2jfa n LEU 440 Cb 0.67 -1.33 -0.03 0.00 0.53 0.00 0.00 43.42 43.26 2jfa n LEU 440 CO 0.75 -0.52 0.19 -1.10 -1.11 0.00 0.00 177.39 175.60 2jfa s GLN 441 N 1.20 3.63 0.25 1.96 -1.52 -1.26 -4.95 119.66 118.97 2jfa s GLN 441 Ca 0.83 -0.01 -0.03 0.00 -1.95 0.00 0.00 55.36 54.20 2jfa s GLN 441 Cb -0.79 -2.66 0.42 0.00 -0.22 0.00 0.00 33.01 29.76 2jfa s GLN 441 CO 0.43 0.23 1.83 0.78 -0.25 0.00 0.00 175.29 178.31 2jfa h GLY 442 N 1.75 1.37 0.89 3.09 0.00 -1.99 0.96 103.07 109.14 2jfa h GLY 442 Ca -0.48 -0.36 0.03 0.00 0.00 0.00 0.00 47.33 46.53 2jfa h GLY 442 CO 0.66 0.17 0.56 0.83 0.00 0.00 0.00 176.54 178.76 2jfa h GLU 443 N 0.88 1.06 -0.34 4.80 3.07 -1.98 -1.62 114.58 120.45 2jfa h GLU 443 Ca 0.42 -0.06 -0.15 0.00 -0.50 0.00 0.00 59.36 59.07 2jfa h GLU 443 Cb 0.35 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 28.01 2jfa h GLU 443 CO -0.23 0.70 -0.35 0.93 -1.40 0.00 0.00 179.01 178.65 2jfa h GLU 444 N 1.09 0.84 -0.28 2.33 5.08 -1.52 -2.93 114.58 119.19 2jfa h GLU 444 Ca 0.34 -0.45 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2jfa h GLU 444 Cb -0.01 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2jfa h GLU 444 CO -0.11 1.09 0.09 0.35 -1.00 0.00 0.00 179.01 179.43 2jfa h PHE 445 N 0.63 0.16 -0.35 4.33 3.57 -0.55 -0.54 116.94 124.20 2jfa h PHE 445 Ca 0.05 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.53 2jfa h PHE 445 Cb 0.94 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 2jfa h PHE 445 CO 0.07 0.07 0.05 -0.39 -2.23 0.00 0.00 178.31 175.88 2jfa h VAL 446 N 0.21 1.18 -0.70 1.41 -1.51 -1.30 -0.26 116.25 115.28 2jfa h VAL 446 Ca 0.12 -0.67 -0.05 0.00 -1.23 0.00 0.00 66.70 64.87 2jfa h VAL 446 Cb 0.09 0.86 -0.03 0.00 -2.13 0.00 0.00 31.29 30.08 2jfa h VAL 446 CO -0.13 0.24 0.23 0.00 -1.23 0.00 0.00 177.57 176.68 2jfa h LEU 448 N 1.02 0.61 -0.65 0.00 3.38 0.08 -2.36 115.31 117.39 2jfa h LEU 448 Ca 0.23 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 2jfa h LEU 448 Cb 0.28 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2jfa h LEU 448 CO -0.01 0.88 -0.25 0.50 0.09 0.00 0.00 178.44 179.66 2jfa h LYS 449 N 0.51 0.79 -0.16 1.13 3.64 -1.00 -1.82 116.57 119.65 2jfa h LYS 449 Ca 0.06 -0.33 -0.15 0.00 -1.27 0.00 0.00 60.65 58.96 2jfa h LYS 449 Cb 0.78 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 2jfa h LYS 449 CO 0.06 0.95 -0.52 0.77 -2.27 0.00 0.00 179.45 178.44 2jfa h SER 450 N 0.68 0.51 -0.59 4.20 0.02 -1.38 -2.62 113.55 114.37 2jfa h SER 450 Ca 0.09 -0.26 0.02 0.00 -0.84 0.00 0.00 61.79 60.80 2jfa h SER 450 Cb 0.77 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.13 2jfa h SER 450 CO 0.06 0.94 0.37 0.40 -1.14 0.00 0.00 176.83 177.47 2jfa h ILE 451 N 0.36 1.10 -0.43 3.27 2.04 -1.06 -1.38 117.51 121.41 2jfa h ILE 451 Ca 0.01 -0.26 0.04 0.00 1.00 0.00 0.00 64.86 65.66 2jfa h ILE 451 Cb 1.04 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 2jfa h ILE 451 CO 0.09 0.14 0.19 0.40 0.00 0.00 0.00 178.15 178.97 2jfa h ILE 452 N 0.75 0.92 0.16 -0.67 2.04 -1.09 0.33 117.51 119.94 2jfa h ILE 452 Ca 0.23 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 2jfa h ILE 452 Cb -0.02 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2jfa h ILE 452 CO -0.08 0.07 -0.08 0.25 0.00 0.00 0.00 178.15 178.31 2jfa h LEU 453 N 0.39 -0.20 -0.67 1.44 5.85 -1.10 -2.18 115.31 118.84 2jfa h LEU 453 Ca 0.19 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.79 2jfa h LEU 453 Cb 0.14 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2jfa h LEU 453 CO -0.16 -0.14 -0.64 -0.07 -0.34 0.00 0.00 178.44 177.09 2jfa h LEU 454 N -0.22 0.00 0.00 2.25 3.38 -0.87 -3.33 115.31 116.52 2jfa h LEU 454 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jfa h LEU 454 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2jfa h LEU 454 CO 0.03 0.64 -1.15 -3.20 0.09 0.00 0.00 178.44 174.86 2jfa n ASN 455 N -3.71 0.58 0.05 -0.43 4.05 0.11 -4.16 115.26 111.75 2jfa n ASN 455 Ca -0.01 -0.09 -0.13 0.00 0.45 0.00 0.00 54.58 54.80 2jfa n ASN 455 Cb 0.65 0.89 -0.14 0.00 1.23 0.00 0.00 39.78 42.41 2jfa n ASN 455 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 2jfa h SER 456 N 0.00 0.21 0.04 1.20 0.02 -1.50 -3.28 113.55 110.25 2jfa h SER 456 Ca 0.00 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2jfa h SER 456 Cb 0.81 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.28 2jfa h SER 456 CO 0.00 1.24 -0.20 0.61 -1.14 0.00 0.00 176.83 177.34 2jfa n GLY 457 N 1.56 0.14 0.22 -3.77 0.00 -1.26 -4.55 105.19 97.53 2jfa n GLY 457 Ca -0.12 -0.56 0.03 0.00 0.00 0.00 0.00 46.02 45.37 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 2.76 1.20 0.00 1.61 3.04 -1.72 -2.82 116.25 120.32 2jfa h VAL 458 Ca 0.00 -0.95 -0.21 0.00 -1.01 0.00 0.00 66.70 64.54 2jfa h VAL 458 Cb 0.71 1.43 -0.03 0.00 -2.01 0.00 0.00 31.29 31.39 2jfa h VAL 458 CO 0.00 0.28 -1.02 1.88 -1.01 0.00 0.00 177.57 177.69 2jfa h TYR 459 N 0.09 0.00 -0.90 3.17 0.99 -1.81 -3.34 116.97 115.17 2jfa h TYR 459 Ca 0.02 0.00 -0.52 0.00 2.00 0.00 0.00 58.73 60.23 2jfa h TYR 459 Cb 0.48 0.00 -0.27 0.00 1.00 0.00 0.00 36.73 37.94 2jfa h TYR 459 CO 0.00 0.96 0.66 0.25 -0.00 0.00 0.00 178.16 180.03 2jfa n THR 460 N -3.31 3.16 -0.83 -2.88 -2.24 -1.07 -4.92 114.28 102.20 2jfa n THR 460 Ca -0.01 -2.07 -0.01 0.00 -2.27 0.00 0.00 64.05 59.69 2jfa n THR 460 Cb 0.93 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 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 -0.87 -3.64 -0.42 4.78 3.72 -1.24 -5.06 117.46 114.73 2jfa n PHE 461 Ca 0.55 -0.02 -0.28 0.00 -0.05 0.00 0.00 57.45 57.65 2jfa n PHE 461 Cb 1.23 -0.02 0.27 0.00 -0.94 0.00 0.00 39.48 40.02 2jfa n PHE 461 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 176.76 178.18 2jfa n LEU 462 N 0.00 -1.74 -3.70 4.37 -0.00 -1.26 -5.09 117.00 109.58 2jfa n LEU 462 Ca 0.00 -0.32 -0.12 0.00 -0.00 0.00 0.00 56.01 55.58 2jfa n LEU 462 Cb 0.01 -1.20 -0.06 0.00 -0.00 0.00 0.00 43.42 42.16 2jfa n LEU 462 CO 0.01 -3.58 0.10 -0.94 -0.00 0.00 0.00 177.39 172.97 2jfa s SER 463 N -2.47 -0.20 0.00 1.45 1.04 -1.26 -4.88 113.70 107.38 2jfa s SER 463 Ca 0.69 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.97 2jfa s SER 463 Cb -0.24 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2jfa s SER 463 CO 0.65 -0.68 0.00 -1.54 0.98 0.00 0.00 173.24 172.65 2jfa n SER 464 N 0.39 0.00 -4.84 7.02 3.41 -1.26 -5.02 113.62 113.32 2jfa n SER 464 Ca -0.18 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.07 2jfa n SER 464 Cb 0.60 -0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 63.90 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 -3.09 4.88 0.22 6.66 -1.32 -1.26 -5.02 115.64 116.70 2jfa s THR 465 Ca 0.00 0.89 -0.06 0.00 -1.21 0.00 0.00 61.69 61.30 2jfa s THR 465 Cb 0.00 -3.76 0.11 0.00 -1.51 0.00 0.00 72.50 67.34 2jfa s THR 465 CO 0.00 0.38 1.73 -0.07 -2.21 0.00 0.00 174.62 174.45 2jfa h LEU 466 N 4.00 0.99 -0.89 9.08 3.38 -2.00 -2.98 115.31 126.89 2jfa h LEU 466 Ca -0.49 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.29 2jfa h LEU 466 Cb 1.20 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.64 2jfa h LEU 466 CO 0.64 0.98 0.58 0.50 0.09 0.00 0.00 178.44 181.23 2jfa h LYS 467 N 0.98 1.08 -0.48 1.13 1.63 -2.00 -2.36 116.57 116.55 2jfa h LYS 467 Ca 0.20 -0.07 -0.12 0.00 -0.85 0.00 0.00 60.65 59.82 2jfa h LYS 467 Cb 0.40 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 2jfa h LYS 467 CO 0.01 0.72 -0.17 0.66 -3.45 0.00 0.00 179.45 177.22 2jfa h SER 468 N 1.12 0.96 -0.38 4.20 4.64 -1.88 -0.38 113.55 121.82 2jfa h SER 468 Ca 0.35 -0.33 0.08 0.00 -0.47 0.00 0.00 61.79 61.42 2jfa h SER 468 Cb 0.01 -0.26 -0.07 0.00 -0.31 0.00 0.00 62.40 61.76 2jfa h SER 468 CO -0.12 1.10 -0.09 0.25 -0.87 0.00 0.00 176.83 177.11 2jfa h LEU 469 N 0.83 -0.34 -0.11 5.97 5.85 -1.32 0.24 115.31 126.43 2jfa h LEU 469 Ca 0.12 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 2jfa h LEU 469 Cb 0.72 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.98 2jfa h LEU 469 CO 0.06 -0.12 0.01 -0.33 -0.34 0.00 0.00 178.44 177.72 2jfa h GLU 470 N 0.01 0.19 -0.38 1.25 4.39 -0.99 -0.79 114.58 118.25 2jfa h GLU 470 Ca 0.18 -0.06 0.07 0.00 0.34 0.00 0.00 59.36 59.90 2jfa h GLU 470 Cb 0.28 -0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.84 2jfa h GLU 470 CO -0.38 0.41 -0.07 0.93 -1.16 0.00 0.00 179.01 178.74 2jfa h GLU 471 N -0.06 0.03 -0.57 2.33 4.39 -0.88 -1.46 114.58 118.36 2jfa h GLU 471 Ca 0.03 -0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 2jfa h GLU 471 Cb 0.32 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2jfa h GLU 471 CO 0.00 0.02 0.12 0.87 -1.16 0.00 0.00 179.01 178.86 2jfa h LYS 472 N 0.03 0.93 -0.51 2.33 1.57 -0.43 -1.67 116.57 118.82 2jfa h LYS 472 Ca 0.18 -0.24 0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2jfa h LYS 472 Cb 0.28 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 2jfa h LYS 472 CO -0.37 0.88 0.29 0.22 -0.57 0.00 0.00 179.45 179.90 2jfa h ASP 473 N 0.83 0.47 -0.51 0.86 3.58 -0.87 0.12 116.42 120.90 2jfa h ASP 473 Ca 0.18 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 2jfa h ASP 473 Cb 0.38 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 2jfa h ASP 473 CO 0.01 0.33 0.31 -0.74 -2.88 0.00 0.00 179.24 176.27 2jfa h HIS 474 N 0.59 0.67 -0.07 0.28 2.76 -1.08 -1.69 115.15 116.60 2jfa h HIS 474 Ca 0.21 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.38 2jfa h HIS 474 Cb 0.04 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 28.77 2jfa h HIS 474 CO -0.07 0.46 0.05 0.82 -1.30 0.00 0.00 177.93 177.88 2jfa h ILE 475 N 0.68 1.05 -0.81 6.26 2.04 -0.93 -1.81 117.51 123.98 2jfa h ILE 475 Ca 0.18 -0.12 0.07 0.00 1.00 0.00 0.00 64.86 65.99 2jfa h ILE 475 Cb -0.02 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 2jfa h ILE 475 CO -0.04 0.04 0.53 0.45 0.00 0.00 0.00 178.15 179.14 2jfa h HIS 476 N 0.07 0.88 -0.53 1.37 3.86 -0.78 0.21 115.15 120.23 2jfa h HIS 476 Ca 0.03 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.15 2jfa h HIS 476 Cb 0.03 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 2jfa h HIS 476 CO -0.06 0.45 -0.11 0.00 0.86 0.00 0.00 177.93 179.07 2jfa h ARG 477 N 0.86 1.01 -0.41 2.45 3.08 -1.06 -0.14 114.38 120.17 2jfa h ARG 477 Ca 0.35 -0.38 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 2jfa h ARG 477 Cb 0.27 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2jfa h ARG 477 CO -0.13 1.06 -0.01 0.28 -1.07 0.00 0.00 179.97 180.10 2jfa h VAL 478 N 0.88 1.26 -0.55 2.04 2.07 -0.43 -2.15 116.25 119.37 2jfa h VAL 478 Ca 0.14 -1.04 0.08 0.00 0.82 0.00 0.00 66.70 66.70 2jfa h VAL 478 Cb 0.68 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.51 2jfa h VAL 478 CO 0.05 0.35 0.21 -0.07 0.02 0.00 0.00 177.57 178.13 2jfa h LEU 479 N 0.56 0.22 -0.86 2.57 3.38 -0.45 -1.36 115.31 119.37 2jfa h LEU 479 Ca 0.11 0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.29 2jfa h LEU 479 Cb 0.49 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.20 2jfa h LEU 479 CO 0.02 0.14 0.46 0.44 0.09 0.00 0.00 178.44 179.60 2jfa h ASP 480 N 0.39 0.58 -0.74 -0.43 3.32 -0.85 0.21 116.42 118.91 2jfa h ASP 480 Ca 0.27 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 2jfa h ASP 480 Cb 0.30 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 2jfa h ASP 480 CO -0.26 0.26 0.38 0.11 -1.72 0.00 0.00 179.24 178.01 2jfa h LYS 481 N 0.67 1.05 -0.51 3.56 1.79 -0.62 -0.87 116.57 121.64 2jfa h LYS 481 Ca 0.46 -0.14 -0.11 0.00 -2.18 0.00 0.00 60.65 58.69 2jfa h LYS 481 Cb 0.62 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.06 2jfa h LYS 481 CO -0.34 0.80 -0.11 0.82 -1.08 0.00 0.00 179.45 179.54 2jfa h ILE 482 N 1.03 1.27 -0.23 1.86 2.04 -0.17 -1.42 117.51 121.88 2jfa h ILE 482 Ca 0.26 -1.25 0.05 0.00 1.00 0.00 0.00 64.86 64.91 2jfa h ILE 482 Cb 0.08 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 2jfa h ILE 482 CO -0.04 0.44 -0.05 0.74 0.00 0.00 0.00 178.15 179.24 2jfa h THR 483 N 0.83 0.78 -0.96 -0.27 2.02 -0.77 -0.62 112.91 113.92 2jfa h THR 483 Ca 0.13 -0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.45 2jfa h THR 483 Cb 0.67 0.76 -0.08 0.00 -1.74 0.00 0.00 68.15 67.76 2jfa h THR 483 CO 0.05 0.00 0.61 0.44 0.37 0.00 0.00 175.52 176.99 2jfa h ASP 484 N 0.01 0.78 -0.21 4.18 3.32 -0.86 -1.33 116.42 122.31 2jfa h ASP 484 Ca 0.11 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 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 -0.23 0.38 0.05 0.74 -1.72 0.00 0.00 179.24 178.46 2jfa h THR 485 N 0.82 1.21 -0.05 0.35 2.02 -0.34 -0.79 112.91 116.12 2jfa h THR 485 Ca 0.49 -0.69 0.03 0.00 0.77 0.00 0.00 66.41 67.01 2jfa h THR 485 Cb 0.68 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.32 2jfa h THR 485 CO -0.26 0.22 -0.12 -0.07 0.37 0.00 0.00 175.52 175.66 2jfa h LEU 486 N 0.16 -0.35 -0.88 2.58 3.38 -0.32 -1.53 115.31 118.34 2jfa h LEU 486 Ca 0.07 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.15 2jfa h LEU 486 Cb 0.29 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 2jfa h LEU 486 CO 0.00 -0.16 0.56 0.40 0.09 0.00 0.00 178.44 179.33 2jfa h ILE 487 N -0.17 1.10 -0.78 1.22 1.08 -1.18 -1.89 117.51 116.88 2jfa h ILE 487 Ca 0.06 -0.36 0.01 0.00 -0.39 0.00 0.00 64.86 64.18 2jfa h ILE 487 Cb 0.26 -0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 33.91 2jfa h ILE 487 CO -0.16 0.19 0.51 -0.74 -0.69 0.00 0.00 178.15 177.27 2jfa h HIS 488 N 1.06 0.97 -0.73 1.37 2.76 -0.67 0.62 115.15 120.53 2jfa h HIS 488 Ca 0.37 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.55 2jfa h HIS 488 Cb 0.09 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 28.69 2jfa h HIS 488 CO -0.02 0.60 0.42 -0.07 -1.30 0.00 0.00 177.93 177.55 2jfa h LEU 489 N 1.03 0.90 -0.41 0.26 3.38 -0.54 -0.52 115.31 119.41 2jfa h LEU 489 Ca 0.29 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 2jfa h LEU 489 Cb -0.09 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 2jfa h LEU 489 CO -0.07 0.72 -0.09 0.24 0.09 0.00 0.00 178.44 179.32 2jfa h MET 490 N 1.01 0.79 -0.47 1.13 2.86 -0.72 -1.76 114.93 117.77 2jfa h MET 490 Ca 0.26 -0.30 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 2jfa h MET 490 Cb 0.01 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 2jfa h MET 490 CO -0.04 0.92 -0.07 0.00 1.06 0.00 0.00 176.91 178.77 2jfa h ALA 491 N 0.85 0.99 0.00 6.32 0.00 -0.65 -2.34 119.26 124.44 2jfa h ALA 491 Ca 0.11 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 2jfa h ALA 491 Cb 0.62 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2jfa h ALA 491 CO 0.04 0.61 -0.36 -0.22 0.00 0.00 0.00 179.25 179.31 2jfa h LYS 492 N 0.75 0.00 -0.00 0.00 3.64 -0.94 -2.60 116.57 117.42 2jfa h LYS 492 Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 2jfa h LYS 492 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2jfa h LYS 492 CO 0.03 0.36 -0.11 0.00 -2.27 0.00 0.00 179.45 177.46 2jfa n ALA 493 N -2.46 2.77 0.00 5.00 0.00 -0.67 -4.94 120.51 120.20 2jfa n ALA 493 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.14 2jfa n ALA 493 Cb 0.40 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 1.27 0.85 3.77 0.00 0.00 -0.98 -5.08 105.19 105.02 2jfa n GLY 494 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 3.84 0.87 0.99 1.43 -1.03 -5.00 118.68 119.78 2jfa s LEU 495 Ca 0.00 2.30 -0.11 0.00 -1.03 0.00 0.00 54.13 55.29 2jfa s LEU 495 Cb 0.00 -4.43 0.11 0.00 0.03 0.00 0.00 46.19 41.90 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 -1.62 2.77 0.18 5.49 -4.23 -1.26 -4.66 115.64 112.31 2jfa s THR 496 Ca 0.70 0.25 -0.17 0.00 -1.18 0.00 0.00 61.69 61.29 2jfa s THR 496 Cb -0.28 -2.63 0.12 0.00 1.34 0.00 0.00 72.50 71.05 2jfa s THR 496 CO 0.32 -0.33 1.65 -0.07 -0.54 0.00 0.00 174.62 175.66 2jfa h LEU 497 N -1.51 -0.46 -0.46 4.79 3.38 -1.99 0.27 115.31 119.32 2jfa h LEU 497 Ca -0.47 0.14 0.06 0.00 0.09 0.00 0.00 57.88 57.70 2jfa h LEU 497 Cb 1.26 0.29 -0.05 0.00 0.09 0.00 0.00 40.66 42.26 2jfa h LEU 497 CO 0.51 -0.16 0.17 -0.61 0.09 0.00 0.00 178.44 178.44 2jfa h GLN 498 N -0.02 0.34 -0.07 1.13 4.15 -2.00 -0.11 115.11 118.54 2jfa h GLN 498 Ca 0.21 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.55 2jfa h GLN 498 Cb 0.35 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 2jfa h GLN 498 CO -0.47 0.23 -0.26 1.96 -1.93 0.00 0.00 178.83 178.36 2jfa h GLN 499 N 0.35 0.12 0.14 1.69 4.20 -1.67 -1.71 115.11 118.23 2jfa h GLN 499 Ca 0.22 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 2jfa h GLN 499 Cb 0.21 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2jfa h GLN 499 CO -0.21 0.38 -0.07 1.96 -0.67 0.00 0.00 178.83 180.21 2jfa h GLN 500 N 0.11 -0.18 -0.45 1.46 4.20 0.12 -2.09 115.11 118.29 2jfa h GLN 500 Ca 0.02 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 2jfa h GLN 500 Cb 0.52 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.32 2jfa h GLN 500 CO 0.04 0.19 0.17 0.45 -0.67 0.00 0.00 178.83 179.01 2jfa h HIS 501 N -0.59 0.64 -0.33 2.96 3.86 -1.04 -1.78 115.15 118.86 2jfa h HIS 501 Ca -0.02 -0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.12 2jfa h HIS 501 Cb 0.46 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 2jfa h HIS 501 CO 0.05 0.51 0.04 1.96 0.86 0.00 0.00 177.93 181.35 2jfa h GLN 502 N 0.64 0.56 -0.21 2.45 4.20 -1.27 -1.71 115.11 119.78 2jfa h GLN 502 Ca 0.15 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 2jfa h GLN 502 Cb 0.15 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2jfa h GLN 502 CO -0.01 0.66 -0.11 -0.09 -0.67 0.00 0.00 178.83 178.61 2jfa h ARG 503 N 0.39 0.44 -0.47 1.46 2.43 -1.20 -1.15 114.38 116.28 2jfa h ARG 503 Ca 0.10 -0.20 0.09 0.00 -0.81 0.00 0.00 59.98 59.17 2jfa h ARG 503 Cb 0.38 -0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.83 2jfa h ARG 503 CO 0.01 0.73 -0.08 1.25 -1.51 0.00 0.00 179.97 180.38 2jfa h LEU 504 N 0.14 -0.35 -0.51 3.80 5.85 -1.30 0.33 115.31 123.27 2jfa h LEU 504 Ca 0.05 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.92 2jfa h LEU 504 Cb 0.60 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 2jfa h LEU 504 CO 0.03 -0.13 0.31 0.00 -0.34 0.00 0.00 178.44 178.32 2jfa h ALA 505 N 1.45 0.65 -0.60 1.25 0.00 -1.11 -1.51 119.26 119.39 2jfa h ALA 505 Ca 0.23 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2jfa h ALA 505 Cb 0.35 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2jfa h ALA 505 CO -0.45 0.03 0.37 1.96 0.00 0.00 0.00 179.25 181.16 2jfa h GLN 506 N 0.62 0.71 -0.36 0.00 4.20 -0.39 -0.38 115.11 119.52 2jfa h GLN 506 Ca 0.20 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 2jfa h GLN 506 Cb -0.00 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 2jfa h GLN 506 CO -0.08 0.47 0.02 -0.07 -0.67 0.00 0.00 178.83 178.50 2jfa h LEU 507 N 0.74 0.60 -0.96 1.46 3.38 -0.63 -2.68 115.31 117.21 2jfa h LEU 507 Ca 0.24 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 2jfa h LEU 507 Cb 0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2jfa h LEU 507 CO -0.10 0.74 -0.51 -0.07 0.09 0.00 0.00 178.44 178.60 2jfa h LEU 508 N 0.44 0.00 -1.30 1.67 3.38 -0.83 -2.45 115.31 116.21 2jfa h LEU 508 Ca 0.10 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 2jfa h LEU 508 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2jfa h LEU 508 CO 0.01 0.51 -0.32 -0.07 0.09 0.00 0.00 178.44 178.66 2jfa h LEU 509 N 0.00 0.00 -1.18 1.67 3.38 -0.91 -1.93 115.31 116.34 2jfa h LEU 509 Ca -0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2jfa h LEU 509 Cb 0.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2jfa h LEU 509 CO 0.07 0.32 -0.29 0.40 0.09 0.00 0.00 178.44 179.03 2jfa h ILE 510 N 0.00 1.25 -0.15 1.22 2.04 -1.10 -2.80 117.51 117.96 2jfa h ILE 510 Ca -0.00 -1.18 0.01 0.00 1.00 0.00 0.00 64.86 64.69 2jfa h ILE 510 Cb 0.66 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 2jfa h ILE 510 CO 0.04 0.35 0.10 -0.07 0.00 0.00 0.00 178.15 178.58 2jfa h LEU 511 N 0.18 0.13 -0.30 1.44 3.38 -1.25 0.01 115.31 118.89 2jfa h LEU 511 Ca 0.03 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 2jfa h LEU 511 Cb 0.61 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2jfa h LEU 511 CO 0.04 0.09 -0.50 0.77 0.09 0.00 0.00 178.44 178.93 2jfa h SER 512 N 0.15 0.00 -0.62 -0.43 4.64 -1.55 -1.55 113.55 114.19 2jfa h SER 512 Ca 0.06 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.30 2jfa h SER 512 Cb 0.06 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.12 2jfa h SER 512 CO -0.01 0.50 0.08 -0.74 -0.87 0.00 0.00 176.83 175.79 2jfa h HIS 513 N 0.00 1.12 -0.64 4.77 -0.00 -1.07 -1.92 115.15 117.41 2jfa h HIS 513 Ca -0.01 -0.16 -0.06 0.00 -0.00 0.00 0.00 60.37 60.15 2jfa h HIS 513 Cb 1.26 -0.31 -0.03 0.00 -0.00 0.00 0.00 27.41 28.34 2jfa h HIS 513 CO 0.00 0.95 0.16 0.82 -0.00 0.00 0.00 177.93 179.86 2jfa h ILE 514 N 0.99 1.25 -0.57 6.26 2.04 -0.88 -0.43 117.51 126.17 2jfa h ILE 514 Ca 0.19 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 2jfa h ILE 514 Cb 0.45 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 2jfa h ILE 514 CO 0.02 0.34 0.29 -0.09 0.00 0.00 0.00 178.15 178.71 2jfa h ARG 515 N 0.96 0.80 -0.26 2.37 9.65 -1.13 -0.00 114.38 126.78 2jfa h ARG 515 Ca 0.21 -0.10 0.02 0.00 -1.10 0.00 0.00 59.98 59.00 2jfa h ARG 515 Cb 0.33 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 2jfa h ARG 515 CO -0.00 0.63 0.11 1.25 2.80 0.00 0.00 179.97 184.76 2jfa h HIS 516 N 0.76 0.21 -0.46 2.20 2.76 -0.88 -0.67 115.15 119.06 2jfa h HIS 516 Ca 0.20 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.39 2jfa h HIS 516 Cb 0.08 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 2jfa h HIS 516 CO -0.01 0.11 0.30 0.52 -1.30 0.00 0.00 177.93 177.55 2jfa h MET 517 N 0.24 0.59 -0.87 5.26 2.86 -0.70 -0.93 114.93 121.39 2jfa h MET 517 Ca 0.11 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.75 2jfa h MET 517 Cb 0.05 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.52 2jfa h MET 517 CO -0.09 0.39 0.55 1.03 1.06 0.00 0.00 176.91 179.86 2jfa h SER 518 N 0.61 0.91 -0.50 1.22 0.87 -0.70 0.28 113.55 116.24 2jfa h SER 518 Ca 0.17 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.62 2jfa h SER 518 Cb -0.05 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.70 2jfa h SER 518 CO -0.05 0.61 -0.15 0.78 -0.53 0.00 0.00 176.83 177.50 2jfa h ASN 519 N 1.06 1.01 -0.60 6.23 4.21 -0.53 -1.68 115.58 125.27 2jfa h ASN 519 Ca 0.36 -0.35 -0.09 0.00 1.21 0.00 0.00 56.30 57.43 2jfa h ASN 519 Cb 0.06 -0.28 -0.02 0.00 -1.12 0.00 0.00 38.32 36.96 2jfa h ASN 519 CO -0.13 1.14 0.04 0.11 -1.29 0.00 0.00 177.43 177.29 2jfa h LYS 520 N 0.88 1.05 0.15 0.81 6.56 -0.63 -2.57 116.57 122.82 2jfa h LYS 520 Ca 0.13 -0.31 0.00 0.00 -1.06 0.00 0.00 60.65 59.42 2jfa h LYS 520 Cb 0.71 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.25 2jfa h LYS 520 CO 0.05 1.00 -0.14 0.78 -2.06 0.00 0.00 179.45 179.08 2jfa h GLY 521 N 1.01 -0.30 0.49 3.86 0.00 -0.25 -0.45 103.07 107.43 2jfa h GLY 521 Ca 0.18 0.16 0.11 0.00 0.00 0.00 0.00 47.33 47.78 2jfa h GLY 521 CO 0.02 -0.14 0.56 -0.33 0.00 0.00 0.00 176.54 176.65 2jfa h MET 522 N -0.32 0.88 -0.69 4.80 2.86 -1.27 0.38 114.93 121.56 2jfa h MET 522 Ca 0.00 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 2jfa h MET 522 Cb 0.30 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 2jfa h MET 522 CO -0.04 0.58 0.21 1.49 1.06 0.00 0.00 176.91 180.22 2jfa h GLU 523 N 0.90 1.08 -0.12 1.72 4.81 -1.13 0.68 114.58 122.53 2jfa h GLU 523 Ca 0.45 -0.23 -0.19 0.00 -0.13 0.00 0.00 59.36 59.26 2jfa h GLU 523 Cb 0.44 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.67 2jfa h GLU 523 CO -0.26 0.93 -0.66 1.25 -0.73 0.00 0.00 179.01 179.54 2jfa h HIS 524 N 1.02 0.89 0.06 0.92 2.76 -0.10 -2.94 115.15 117.77 2jfa h HIS 524 Ca 0.22 -0.40 -0.00 0.00 -2.20 0.00 0.00 60.37 57.99 2jfa h HIS 524 Cb 0.30 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.13 2jfa h HIS 524 CO 0.02 1.21 -0.03 -0.07 -1.30 0.00 0.00 177.93 177.77 2jfa h LEU 525 N 0.32 -0.07 -1.21 0.26 3.38 -0.10 -2.91 115.31 114.98 2jfa h LEU 525 Ca -0.05 -0.23 0.17 0.00 0.09 0.00 0.00 57.88 57.85 2jfa h LEU 525 Cb 1.31 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.99 2jfa h LEU 525 CO 0.14 0.20 0.60 0.22 0.09 0.00 0.00 178.44 179.69 2jfa h TYR 526 N -0.34 0.88 0.00 1.13 5.03 -0.96 -1.08 116.97 121.63 2jfa h TYR 526 Ca -0.01 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.33 2jfa h TYR 526 Cb 0.30 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.30 2jfa h TYR 526 CO 0.01 0.27 0.00 -1.13 -1.32 0.00 0.00 178.16 175.99 2jfa n SER 527 N -4.62 0.29 -0.28 -2.11 3.41 -1.11 -5.10 113.62 104.09 2jfa n SER 527 Ca 0.20 0.55 0.15 0.00 -0.26 0.00 0.00 58.87 59.50 2jfa n SER 527 Cb 0.54 -0.62 0.70 0.00 -0.26 0.00 0.00 64.21 64.57 2jfa n SER 527 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11