#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vag n PRO 298 N 0.00 0.58 0.00 1.61 -0.04 -1.26 -3.65 135.00 132.25 1vag n PRO 298 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1vag n PRO 298 Cb 0.00 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 1vag n PRO 298 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1vag n ARG 299 N 0.82 0.00 -3.09 0.54 0.00 -1.26 -5.09 116.66 108.58 1vag n ARG 299 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.41 1vag n ARG 299 Cb 0.29 0.00 -0.05 0.00 -0.00 0.00 0.00 32.46 32.70 1vag n ARG 299 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1vag s PHE 300 N 0.00 2.97 0.31 2.89 2.99 -1.24 -4.87 117.98 121.03 1vag s PHE 300 Ca 0.00 -0.77 -0.28 0.00 0.00 0.00 0.00 56.93 55.88 1vag s PHE 300 Cb 0.00 -3.92 -0.09 0.00 0.00 0.00 0.00 43.02 39.01 1vag s PHE 300 CO 0.00 -1.27 1.02 -0.51 -0.00 0.00 0.00 175.22 174.47 1vag s LEU 301 N 2.87 4.44 -0.08 -0.37 1.43 -1.10 -2.90 118.68 122.96 1vag s LEU 301 Ca 0.14 2.06 0.03 0.00 -1.03 0.00 0.00 54.13 55.34 1vag s LEU 301 Cb -0.22 -3.83 -0.02 0.00 0.03 0.00 0.00 46.19 42.15 1vag s LEU 301 CO 0.09 -0.15 -0.16 -0.54 0.23 0.00 0.00 176.35 175.82 1vag s LYS 302 N -1.75 2.80 -0.07 1.70 1.02 -1.26 0.25 119.74 122.42 1vag s LYS 302 Ca 0.48 -0.73 0.05 0.00 0.02 0.00 0.00 55.97 55.78 1vag s LYS 302 Cb -0.26 -2.42 -0.01 0.00 -0.52 0.00 0.00 37.83 34.62 1vag s LYS 302 CO 0.33 0.45 -0.21 0.14 -0.92 0.00 0.00 175.35 175.13 1vag s VAL 303 N -0.27 2.40 0.20 3.17 -7.23 -0.55 -4.94 120.40 113.18 1vag s VAL 303 Ca 0.01 -0.94 0.11 0.00 -1.81 0.00 0.00 61.98 59.35 1vag s VAL 303 Cb -0.13 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.86 1vag s VAL 303 CO 0.03 0.57 -0.20 -0.75 -0.31 0.00 0.00 175.10 174.44 1vag s LYS 304 N -0.21 1.68 -0.25 4.82 2.20 -1.26 -0.37 119.74 126.35 1vag s LYS 304 Ca -0.01 -1.50 -0.09 0.00 -0.36 0.00 0.00 55.97 54.01 1vag s LYS 304 Cb -0.13 -1.91 -0.04 0.00 -1.51 0.00 0.00 37.83 34.23 1vag s LYS 304 CO 0.03 0.40 0.12 1.21 -0.36 0.00 0.00 175.35 176.75 1vag s ASN 305 N -2.85 5.62 0.00 1.43 3.84 0.48 -1.84 114.94 121.62 1vag s ASN 305 Ca 0.23 -0.06 0.30 0.00 0.21 0.00 0.00 52.86 53.54 1vag s ASN 305 Cb -0.08 -2.02 1.38 0.00 -0.55 0.00 0.00 41.25 39.99 1vag s ASN 305 CO 0.12 0.01 1.97 0.79 -2.79 0.00 0.00 177.10 177.20 1vag n TRP 306 N 4.66 0.00 -0.02 0.43 7.02 0.16 0.35 117.44 130.04 1vag n TRP 306 Ca -0.15 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.14 1vag n TRP 306 Cb 0.52 -0.27 -0.14 0.00 -2.42 0.00 0.00 31.31 29.00 1vag n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1vag n GLU 307 N -1.22 0.72 0.00 -0.99 2.13 -1.26 -4.49 120.64 115.53 1vag n GLU 307 Ca 0.13 0.24 0.05 0.00 0.66 0.00 0.00 57.16 58.25 1vag n GLU 307 Cb 0.26 -1.69 -0.04 0.00 0.27 0.00 0.00 31.44 30.25 1vag n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1vag n THR 308 N -3.36 0.00 -1.01 6.31 -2.24 -1.23 -5.00 114.28 107.75 1vag n THR 308 Ca -0.32 -0.31 -0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1vag n THR 308 Cb 1.04 1.04 -0.00 0.00 -2.10 0.00 0.00 70.33 70.32 1vag n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1vag n ASP 309 N -0.90 -5.09 -4.76 3.42 8.00 0.16 -4.97 116.55 112.41 1vag n ASP 309 Ca 0.03 0.01 -0.41 0.00 0.71 0.00 0.00 54.79 55.13 1vag n ASP 309 Cb 0.18 -2.61 -0.03 0.00 -0.02 0.00 0.00 41.12 38.64 1vag n ASP 309 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1vag s VAL 310 N -1.32 3.17 -0.02 2.53 1.01 -1.23 -4.73 120.40 119.81 1vag s VAL 310 Ca 0.00 1.15 0.07 0.00 0.00 0.00 0.00 61.98 63.20 1vag s VAL 310 Cb 0.00 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1vag s VAL 310 CO 0.00 0.26 -0.23 -0.69 0.00 0.00 0.00 175.10 174.44 1vag s VAL 311 N -0.99 1.83 0.17 2.92 1.01 -1.26 -0.38 120.40 123.69 1vag s VAL 311 Ca 0.48 -0.98 0.10 0.00 0.00 0.00 0.00 61.98 61.57 1vag s VAL 311 Cb -0.35 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1vag s VAL 311 CO 0.45 0.52 -0.22 -0.76 0.00 0.00 0.00 175.10 175.09 1vag s LEU 312 N -0.48 2.42 -0.19 3.92 1.43 0.51 -4.96 118.68 121.32 1vag s LEU 312 Ca 0.07 -0.85 -0.02 0.00 -1.03 0.00 0.00 54.13 52.30 1vag s LEU 312 Cb -0.09 -1.02 -0.01 0.00 0.03 0.00 0.00 46.19 45.10 1vag s LEU 312 CO -0.00 0.06 -0.08 -0.89 0.23 0.00 0.00 176.35 175.67 1vag s THR 313 N -1.75 3.21 -0.26 5.49 2.01 -1.26 -1.48 115.64 121.60 1vag s THR 313 Ca 0.18 -0.56 -0.10 0.00 0.31 0.00 0.00 61.69 61.52 1vag s THR 313 Cb -0.07 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 1vag s THR 313 CO 0.08 0.46 0.14 -0.62 -0.69 0.00 0.00 174.62 173.99 1vag s ASP 314 N 1.10 5.72 -0.00 3.53 -1.08 0.14 -4.61 116.67 121.47 1vag s ASP 314 Ca 0.01 -0.06 0.03 0.00 -0.52 0.00 0.00 52.55 52.01 1vag s ASP 314 Cb -0.15 -2.05 -0.05 0.00 -1.46 0.00 0.00 42.92 39.22 1vag s ASP 314 CO -0.01 -0.02 0.07 0.35 0.52 0.00 0.00 175.17 176.07 1vag n THR 315 N 4.84 0.00 0.21 1.71 -2.24 0.23 -2.73 114.28 116.30 1vag n THR 315 Ca -0.15 -0.07 0.11 0.00 -2.27 0.00 0.00 64.05 61.67 1vag n THR 315 Cb 0.52 0.43 0.66 0.00 -2.10 0.00 0.00 70.33 69.84 1vag n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1vag h LEU 316 N 0.00 0.00 -2.70 3.22 5.85 -1.53 -1.98 115.31 118.17 1vag h LEU 316 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1vag h LEU 316 Cb 0.14 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1vag h LEU 316 CO 0.00 0.00 -0.01 1.12 -0.34 0.00 0.00 178.44 179.21 1vag h HIS 317 N 0.00 0.00 0.00 1.25 2.07 -1.84 -1.69 115.15 114.94 1vag h HIS 317 Ca 0.05 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.57 1vag h HIS 317 Cb 0.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.20 1vag h HIS 317 CO 0.00 0.01 0.00 1.28 -3.07 0.00 0.00 177.93 176.15 1vag n LEU 318 N -3.40 0.29 -0.96 6.12 4.77 -0.75 -1.90 117.00 121.17 1vag n LEU 318 Ca -0.03 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.66 1vag n LEU 318 Cb 0.09 -0.57 0.23 0.00 -2.33 0.00 0.00 43.42 40.84 1vag n LEU 318 CO 0.24 -0.50 0.71 0.29 -1.33 0.00 0.00 177.39 176.79 1vag n LYS 319 N -1.84 2.28 -3.05 3.23 5.02 -0.63 -4.93 118.16 118.23 1vag n LYS 319 Ca 0.02 -1.90 -0.39 0.00 -2.02 0.00 0.00 58.31 54.01 1vag n LYS 319 Cb 0.13 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.61 1vag n LYS 319 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1vag s SER 320 N -1.68 7.19 0.00 4.39 1.04 -0.80 -4.93 113.70 118.92 1vag s SER 320 Ca 0.35 1.42 0.00 0.00 0.48 0.00 0.00 55.95 58.20 1vag s SER 320 Cb 0.21 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.89 1vag s SER 320 CO 0.31 0.10 0.00 0.35 0.98 0.00 0.00 173.24 174.97 1vag n THR 321 N 2.42 0.00 -2.81 2.02 -2.24 -1.26 -5.05 114.28 107.37 1vag n THR 321 Ca -0.05 -0.07 -0.32 0.00 -2.27 0.00 0.00 64.05 61.34 1vag n THR 321 Cb 0.50 0.51 -0.06 0.00 -2.10 0.00 0.00 70.33 69.19 1vag n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1vag s LEU 322 N -2.38 3.89 0.28 3.22 1.43 -1.26 -5.06 118.68 118.81 1vag s LEU 322 Ca 0.00 1.53 -0.20 0.00 -1.03 0.00 0.00 54.13 54.43 1vag s LEU 322 Cb 0.00 -4.39 -0.09 0.00 0.03 0.00 0.00 46.19 41.74 1vag s LEU 322 CO 0.00 -0.38 0.79 -1.61 0.23 0.00 0.00 176.35 175.38 1vag s GLU 323 N -3.37 4.24 0.01 1.70 0.41 -1.26 -4.53 118.70 115.89 1vag s GLU 323 Ca 0.59 0.92 0.17 0.00 -0.41 0.00 0.00 54.97 56.24 1vag s GLU 323 Cb -0.10 -2.69 -0.18 0.00 -1.78 0.00 0.00 34.13 29.39 1vag s GLU 323 CO 0.19 0.27 0.66 0.25 -0.49 0.00 0.00 175.26 176.15 1vag n THR 324 N 0.29 1.12 0.00 3.63 -2.24 -1.26 -4.84 114.28 110.97 1vag n THR 324 Ca 0.01 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 1vag n THR 324 Cb 0.52 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 1vag n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vag n GLY 325 N 1.44 1.14 3.94 3.38 0.00 -1.26 -4.92 105.19 108.91 1vag n GLY 325 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 1vag n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vag s THR 327 N -2.44 0.22 -0.55 0.00 -4.23 -0.33 -5.00 115.64 103.31 1vag s THR 327 Ca 0.43 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.13 1vag s THR 327 Cb -0.10 -2.52 0.20 0.00 1.34 0.00 0.00 72.50 71.42 1vag s THR 327 CO 0.38 0.00 1.59 -0.62 -0.54 0.00 0.00 174.62 175.43 1vag n GLU 328 N -0.49 0.13 -0.00 3.99 4.71 -1.26 -2.60 120.64 125.11 1vag n GLU 328 Ca 0.02 0.45 0.08 0.00 -0.01 0.00 0.00 57.16 57.70 1vag n GLU 328 Cb 0.65 -1.80 -0.11 0.00 -1.01 0.00 0.00 31.44 29.17 1vag n GLU 328 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1vag n HIS 329 N -2.05 0.00 -3.78 -0.32 8.25 -1.26 -5.01 115.22 111.05 1vag n HIS 329 Ca 0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.35 1vag n HIS 329 Cb 0.15 -0.20 -0.11 0.00 1.12 0.00 0.00 29.99 30.95 1vag n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1vag s ILE 330 N -2.85 0.02 -0.19 1.59 2.07 -1.07 -5.15 121.20 115.62 1vag s ILE 330 Ca -0.00 -0.16 -0.03 0.00 -1.41 0.00 0.00 60.65 59.04 1vag s ILE 330 Cb 0.11 -0.44 -0.02 0.00 0.13 0.00 0.00 42.46 42.24 1vag s ILE 330 CO 0.67 -0.09 -0.05 0.00 -1.91 0.00 0.00 174.94 173.56 1vag n MET 332 N 4.24 2.03 0.34 0.00 2.81 -1.26 -4.74 117.12 120.53 1vag n MET 332 Ca -0.18 -3.12 0.21 0.00 -1.81 0.00 0.00 57.70 52.80 1vag n MET 332 Cb 0.52 -1.97 1.14 0.00 -0.71 0.00 0.00 33.22 32.20 1vag n MET 332 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1vag h GLY 333 N 1.03 0.00 -1.76 3.03 0.00 -1.94 -2.14 103.07 101.30 1vag h GLY 333 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1vag h GLY 333 CO 0.68 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.08 1vag n SER 334 N -3.03 3.79 -4.70 0.19 3.41 -1.26 -4.82 113.62 107.20 1vag n SER 334 Ca -0.03 -2.64 -0.39 0.00 -0.26 0.00 0.00 58.87 55.55 1vag n SER 334 Cb 0.13 -0.46 -0.06 0.00 -0.26 0.00 0.00 64.21 63.56 1vag n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1vag s ILE 335 N -2.15 5.09 0.09 -1.33 -1.09 -0.81 -4.98 121.20 116.03 1vag s ILE 335 Ca 0.38 1.14 -0.21 0.00 -2.23 0.00 0.00 60.65 59.73 1vag s ILE 335 Cb 0.28 -3.91 -0.11 0.00 -1.58 0.00 0.00 42.46 37.14 1vag s ILE 335 CO 0.13 0.23 1.68 0.24 -1.23 0.00 0.00 174.94 175.99 1vag h MET 336 N 7.04 0.19 -2.65 2.79 2.86 -1.92 -3.36 114.93 119.88 1vag h MET 336 Ca -0.37 -0.02 -0.60 0.00 -2.06 0.00 0.00 59.70 56.64 1vag h MET 336 Cb 1.17 -0.04 -0.41 0.00 0.06 0.00 0.00 31.60 32.38 1vag h MET 336 CO 0.76 0.21 -0.70 1.28 1.06 0.00 0.00 176.91 179.52 1vag n LEU 337 N -4.94 2.28 -0.15 1.22 4.77 -1.26 -4.92 117.00 114.00 1vag n LEU 337 Ca -0.05 -5.06 0.00 0.00 -0.03 0.00 0.00 56.01 50.87 1vag n LEU 337 Cb 0.07 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1vag n LEU 337 CO 0.34 1.87 0.14 -0.81 -1.33 0.00 0.00 177.39 177.60 1vag n PRO 338 N 1.82 0.33 -3.98 3.23 -0.04 -1.26 -4.81 135.00 130.30 1vag n PRO 338 Ca 0.24 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.35 1vag n PRO 338 Cb 0.40 -1.05 0.01 0.00 -0.04 0.00 0.00 33.50 32.83 1vag n PRO 338 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1vag n SER 339 N -0.24 -3.10 -0.31 3.54 7.64 -1.26 -4.82 113.62 115.07 1vag n SER 339 Ca 0.00 -0.98 0.07 0.00 1.01 0.00 0.00 58.87 58.98 1vag n SER 339 Cb 0.03 -1.19 -0.01 0.00 -1.01 0.00 0.00 64.21 62.03 1vag n SER 339 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vag n GLN 340 N -3.97 1.80 0.00 1.43 1.13 -1.26 -4.72 117.38 111.79 1vag n GLN 340 Ca -0.09 -0.71 0.00 0.00 -1.94 0.00 0.00 57.00 54.26 1vag n GLN 340 Cb 0.43 -1.23 0.00 0.00 0.11 0.00 0.00 30.24 29.55 1vag n GLN 340 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1vag n HIS 341 N -0.24 0.00 0.07 1.08 -0.00 -1.26 -4.72 115.22 110.14 1vag n HIS 341 Ca 0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.24 1vag n HIS 341 Cb 0.30 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.17 1vag n HIS 341 CO 0.00 0.00 0.00 2.41 0.46 0.00 0.00 176.34 179.21 1vag n THR 342 N 0.00 0.82 -2.33 3.57 -1.04 -1.26 -4.52 114.28 109.52 1vag n THR 342 Ca 0.00 -0.15 -0.01 0.00 -2.04 0.00 0.00 64.05 61.85 1vag n THR 342 Cb 0.00 -1.05 -0.01 0.00 -1.82 0.00 0.00 70.33 67.45 1vag n THR 342 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1vag n ARG 343 N 1.32 -3.29 -1.76 -2.82 5.12 -1.16 -4.07 116.66 110.00 1vag n ARG 343 Ca 0.00 2.41 -0.42 0.00 -1.93 0.00 0.00 57.85 57.91 1vag n ARG 343 Cb 0.26 -3.21 -0.03 0.00 -1.16 0.00 0.00 32.46 28.32 1vag n ARG 343 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1vag s LYS 344 N -0.38 4.15 0.00 5.56 -0.14 -1.26 -4.52 119.74 123.14 1vag s LYS 344 Ca -0.03 2.54 0.18 0.00 -1.36 0.00 0.00 55.97 57.29 1vag s LYS 344 Cb 0.00 -3.53 0.90 0.00 -1.68 0.00 0.00 37.83 33.52 1vag s LYS 344 CO 0.09 -0.80 1.53 -0.35 -0.76 0.00 0.00 175.35 175.05 1vag n PRO 345 N 5.44 0.26 0.00 -1.68 -0.04 -1.26 -4.72 135.00 133.00 1vag n PRO 345 Ca 0.17 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 1vag n PRO 345 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1vag n PRO 345 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1vag n GLU 346 N -1.28 2.49 0.00 0.54 -0.58 -1.26 -5.02 120.64 115.53 1vag n GLU 346 Ca 0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.83 1vag n GLU 346 Cb 0.14 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.01 1vag n GLU 346 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1vag n ASP 347 N 0.00 0.00 -3.66 1.62 9.92 -1.26 -5.09 116.55 118.08 1vag n ASP 347 Ca 0.00 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.11 1vag n ASP 347 Cb 0.00 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 40.41 1vag n ASP 347 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1vag s VAL 348 N 0.00 0.04 0.24 2.53 -7.23 -1.26 -5.06 120.40 109.66 1vag s VAL 348 Ca 0.00 -0.31 -0.30 0.00 -1.81 0.00 0.00 61.98 59.55 1vag s VAL 348 Cb 0.00 -0.82 -0.14 0.00 0.56 0.00 0.00 36.38 35.97 1vag s VAL 348 CO 0.00 -0.17 1.18 0.54 -0.31 0.00 0.00 175.10 176.34 1vag n ARG 349 N 0.94 1.53 -2.28 4.82 1.74 -1.26 -4.97 116.66 117.19 1vag n ARG 349 Ca -0.20 0.54 -0.25 0.00 -0.77 0.00 0.00 57.85 57.17 1vag n ARG 349 Cb 0.57 -2.04 0.09 0.00 -1.02 0.00 0.00 32.46 30.06 1vag n ARG 349 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1vag s THR 350 N -0.54 2.26 0.18 0.55 -4.23 -1.26 -4.81 115.64 107.79 1vag s THR 350 Ca 0.65 -0.34 -0.13 0.00 -1.18 0.00 0.00 61.69 60.69 1vag s THR 350 Cb -0.72 -2.92 0.10 0.00 1.34 0.00 0.00 72.50 70.30 1vag s THR 350 CO 0.55 0.00 1.71 0.11 -0.54 0.00 0.00 174.62 176.45 1vag h LYS 351 N -0.64 0.20 -0.22 3.99 1.57 -1.93 0.53 116.57 120.06 1vag h LYS 351 Ca -0.43 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.27 1vag h LYS 351 Cb 1.30 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1vag h LYS 351 CO 0.53 0.13 -0.18 -0.44 -0.57 0.00 0.00 179.45 178.92 1vag h ASP 352 N 0.21 0.38 1.11 0.86 3.32 -1.99 -1.51 116.42 118.79 1vag h ASP 352 Ca 0.24 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1vag h ASP 352 Cb 0.33 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1vag h ASP 352 CO -0.33 0.58 -0.32 0.00 -1.72 0.00 0.00 179.24 177.45 1vag n GLN 353 N -4.19 0.25 -0.02 3.56 6.02 -0.54 -4.12 117.38 118.35 1vag n GLN 353 Ca -0.00 0.13 -0.19 0.00 -0.01 0.00 0.00 57.00 56.93 1vag n GLN 353 Cb 0.34 -1.72 -0.14 0.00 1.02 0.00 0.00 30.24 29.75 1vag n GLN 353 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1vag n LEU 354 N -2.11 2.48 -0.21 1.08 7.94 0.18 -4.18 117.00 122.16 1vag n LEU 354 Ca 0.05 0.17 -0.07 0.00 -1.11 0.00 0.00 56.01 55.04 1vag n LEU 354 Cb 0.43 -0.93 0.03 0.00 0.53 0.00 0.00 43.42 43.47 1vag n LEU 354 CO 0.33 0.82 0.99 0.15 -1.11 0.00 0.00 177.39 178.57 1vag h PHE 355 N 0.05 0.91 -0.78 1.96 3.57 -1.45 0.11 116.94 121.31 1vag h PHE 355 Ca -0.44 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.03 1vag h PHE 355 Cb 2.02 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 40.44 1vag h PHE 355 CO 0.06 0.72 0.50 -1.35 -2.23 0.00 0.00 178.31 176.01 1vag h PRO 356 N 0.83 0.94 -0.55 6.41 0.11 -1.78 0.25 132.00 138.22 1vag h PRO 356 Ca 0.20 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.15 1vag h PRO 356 Cb 0.19 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 1vag h PRO 356 CO -0.02 0.62 -0.06 -0.07 -0.21 0.00 0.00 178.00 178.26 1vag h LEU 357 N 0.97 1.01 -0.61 2.35 3.38 -1.66 -0.11 115.31 120.64 1vag h LEU 357 Ca 0.31 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1vag h LEU 357 Cb 0.01 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1vag h LEU 357 CO -0.11 1.10 0.21 0.00 0.09 0.00 0.00 178.44 179.73 1vag h ALA 358 N 0.94 0.79 -0.51 1.53 0.00 -0.20 -2.51 119.26 119.31 1vag h ALA 358 Ca 0.15 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1vag h ALA 358 Cb 0.62 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1vag h ALA 358 CO 0.04 0.44 -0.02 -0.22 0.00 0.00 0.00 179.25 179.49 1vag h LYS 359 N 0.86 0.92 -0.54 0.00 3.64 -0.27 -2.36 116.57 118.81 1vag h LYS 359 Ca 0.20 -0.31 0.05 0.00 -1.27 0.00 0.00 60.65 59.32 1vag h LYS 359 Cb 0.26 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 1vag h LYS 359 CO -0.01 0.95 0.28 1.49 -2.27 0.00 0.00 179.45 179.89 1vag h GLU 360 N 0.78 0.52 -0.15 1.90 4.81 -0.85 -1.70 114.58 119.89 1vag h GLU 360 Ca 0.14 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1vag h GLU 360 Cb 0.56 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1vag h GLU 360 CO 0.03 0.34 0.06 0.35 -0.73 0.00 0.00 179.01 179.07 1vag h PHE 361 N 0.54 0.22 -0.62 0.92 3.57 -1.29 -1.94 116.94 118.34 1vag h PHE 361 Ca 0.24 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 1vag h PHE 361 Cb 0.15 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1vag h PHE 361 CO -0.10 0.28 0.38 -0.07 -2.23 0.00 0.00 178.31 176.57 1vag h LEU 362 N 0.10 0.75 -0.62 0.59 3.38 -1.23 0.76 115.31 119.03 1vag h LEU 362 Ca 0.05 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1vag h LEU 362 Cb 0.15 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1vag h LEU 362 CO -0.01 0.59 0.37 0.44 0.09 0.00 0.00 178.44 179.93 1vag h ASP 363 N 0.84 0.60 -0.11 -0.43 3.45 -1.27 0.50 116.42 120.00 1vag h ASP 363 Ca 0.22 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.68 1vag h ASP 363 Cb -0.02 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 38.63 1vag h ASP 363 CO -0.04 0.41 0.01 -0.61 -1.57 0.00 0.00 179.24 177.44 1vag h GLN 364 N 0.73 0.18 -0.05 3.56 4.15 -0.52 -1.28 115.11 121.89 1vag h GLN 364 Ca 0.26 -0.05 0.02 0.00 0.77 0.00 0.00 58.65 59.64 1vag h GLN 364 Cb 0.05 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.71 1vag h GLN 364 CO -0.12 0.39 -0.04 -0.92 -1.93 0.00 0.00 178.83 176.21 1vag h TYR 365 N -0.05 -0.11 0.00 3.99 3.20 0.11 -2.04 116.97 122.08 1vag h TYR 365 Ca 0.03 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 1vag h TYR 365 Cb 0.30 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1vag h TYR 365 CO 0.02 -0.07 -0.24 1.88 -1.64 0.00 0.00 178.16 178.11 1vag h TYR 366 N -0.06 0.00 0.00 -3.82 -1.99 0.00 -1.79 116.97 109.31 1vag h TYR 366 Ca 0.04 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.67 1vag h TYR 366 Cb 0.11 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.82 1vag h TYR 366 CO -0.14 0.24 -0.48 0.77 -0.00 0.00 0.00 178.16 178.55 1vag h SER 367 N 0.00 0.00 -0.38 3.88 0.02 -0.92 0.19 113.55 116.35 1vag h SER 367 Ca -0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1vag h SER 367 Cb 0.51 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 1vag h SER 367 CO 0.03 0.48 0.24 0.28 -1.14 0.00 0.00 176.83 176.72 1vag h SER 368 N 0.00 0.41 -0.34 3.07 0.02 -0.60 -1.38 113.55 114.73 1vag h SER 368 Ca -0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1vag h SER 368 Cb 0.98 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1vag h SER 368 CO 0.06 0.30 0.00 2.30 -1.14 0.00 0.00 176.83 178.35 1vag n ILE 369 N -4.84 1.08 -3.71 3.27 -5.35 -1.13 -4.91 119.36 103.76 1vag n ILE 369 Ca 0.00 -0.65 -0.23 0.00 -0.27 0.00 0.00 62.75 61.60 1vag n ILE 369 Cb 0.03 -0.11 0.04 0.00 -1.74 0.00 0.00 39.64 37.86 1vag n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1vag n LYS 370 N 0.47 -5.64 -1.91 6.28 5.02 -0.52 -4.91 118.16 116.94 1vag n LYS 370 Ca 0.14 0.67 -0.02 0.00 -2.02 0.00 0.00 58.31 57.08 1vag n LYS 370 Cb 0.58 -5.43 0.06 0.00 -0.02 0.00 0.00 35.03 30.22 1vag n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1vag n ARG 371 N -4.45 1.46 -2.10 1.97 1.74 0.65 -5.01 116.66 110.93 1vag n ARG 371 Ca -0.17 -3.10 -0.42 0.00 -0.77 0.00 0.00 57.85 53.39 1vag n ARG 371 Cb 0.62 -1.20 -0.03 0.00 -1.02 0.00 0.00 32.46 30.84 1vag n ARG 371 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1vag s PHE 372 N -2.44 2.55 0.00 -1.55 5.36 -1.20 -2.35 117.98 118.35 1vag s PHE 372 Ca 0.35 0.55 0.00 0.00 -0.96 0.00 0.00 56.93 56.87 1vag s PHE 372 Cb 0.37 -3.80 0.00 0.00 -0.34 0.00 0.00 43.02 39.25 1vag s PHE 372 CO -0.07 -3.13 0.00 0.41 -1.46 0.00 0.00 175.22 170.97 1vag n GLY 373 N 3.84 1.82 3.27 13.12 0.00 -1.26 -5.04 105.19 120.94 1vag n GLY 373 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1vag n GLY 373 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vag n SER 374 N 0.00 -2.39 -0.08 1.61 3.41 -0.99 -4.65 113.62 110.52 1vag n SER 374 Ca 0.00 -0.10 -0.13 0.00 -0.26 0.00 0.00 58.87 58.38 1vag n SER 374 Cb 0.00 -0.95 -0.05 0.00 -0.26 0.00 0.00 64.21 62.95 1vag n SER 374 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1vag h LYS 375 N -2.01 0.59 -0.56 4.33 3.11 -1.97 -1.47 116.57 118.59 1vag h LYS 375 Ca -0.53 -0.31 0.09 0.00 -2.81 0.00 0.00 60.65 57.09 1vag h LYS 375 Cb 1.36 0.01 -0.07 0.00 -1.00 0.00 0.00 32.23 32.53 1vag h LYS 375 CO 0.38 0.91 0.16 0.00 -2.81 0.00 0.00 179.45 178.08 1vag h ALA 376 N 0.67 0.67 0.59 5.00 0.00 -1.93 0.86 119.26 125.12 1vag h ALA 376 Ca 0.04 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1vag h ALA 376 Cb 0.80 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1vag h ALA 376 CO 0.06 -0.26 -0.41 1.25 0.00 0.00 0.00 179.25 179.89 1vag h HIS 377 N 0.31 -1.10 -0.28 0.00 -0.00 -1.78 0.12 115.15 112.42 1vag h HIS 377 Ca 0.28 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.60 1vag h HIS 377 Cb 0.37 0.40 -0.02 0.00 -0.00 0.00 0.00 27.41 28.17 1vag h HIS 377 CO -0.20 -0.60 -0.02 0.52 -0.00 0.00 0.00 177.93 177.62 1vag h MET 378 N -0.96 0.42 -0.24 5.26 2.07 -0.71 -0.72 114.93 120.05 1vag h MET 378 Ca -0.07 -0.08 -0.04 0.00 -2.07 0.00 0.00 59.70 57.44 1vag h MET 378 Cb 0.80 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 30.45 1vag h MET 378 CO 0.04 0.47 0.00 -0.44 1.07 0.00 0.00 176.91 178.05 1vag h ASP 379 N 0.41 0.42 -0.45 1.22 3.45 0.97 -2.17 116.42 120.27 1vag h ASP 379 Ca 0.09 -0.30 -0.05 0.00 0.43 0.00 0.00 57.03 57.19 1vag h ASP 379 Cb 0.30 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 38.94 1vag h ASP 379 CO 0.01 0.62 0.11 -0.09 -1.57 0.00 0.00 179.24 178.32 1vag h ARG 380 N 0.21 0.79 -0.65 3.56 9.65 -0.34 -1.56 114.38 126.04 1vag h ARG 380 Ca 0.07 -0.16 -0.05 0.00 -1.10 0.00 0.00 59.98 58.74 1vag h ARG 380 Cb 0.40 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.84 1vag h ARG 380 CO 0.01 0.73 0.21 -0.07 2.80 0.00 0.00 179.97 183.65 1vag h LEU 381 N 0.76 0.93 -0.71 3.80 3.38 -0.98 -2.04 115.31 120.45 1vag h LEU 381 Ca 0.17 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1vag h LEU 381 Cb 0.31 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1vag h LEU 381 CO 0.00 0.88 -0.31 -0.08 0.09 0.00 0.00 178.44 179.02 1vag h GLU 382 N 0.93 0.65 0.85 1.13 4.57 -1.00 -0.66 114.58 121.05 1vag h GLU 382 Ca 0.21 -0.29 -0.04 0.00 -1.18 0.00 0.00 59.36 58.06 1vag h GLU 382 Cb 0.28 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1vag h GLU 382 CO -0.01 0.88 -0.41 0.93 -1.18 0.00 0.00 179.01 179.22 1vag h GLU 383 N 0.55 -1.11 -0.62 1.92 5.08 -1.10 0.75 114.58 120.06 1vag h GLU 383 Ca 0.06 0.08 0.08 0.00 -1.00 0.00 0.00 59.36 58.58 1vag h GLU 383 Cb 0.81 0.25 -0.06 0.00 0.50 0.00 0.00 28.75 30.25 1vag h GLU 383 CO 0.07 -0.73 0.28 -0.39 -1.00 0.00 0.00 179.01 177.24 1vag h VAL 384 N -1.24 0.86 0.45 3.13 -1.51 -1.38 0.88 116.25 117.43 1vag h VAL 384 Ca -0.12 -0.18 -0.01 0.00 -1.23 0.00 0.00 66.70 65.17 1vag h VAL 384 Cb 0.89 0.30 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 1vag h VAL 384 CO 0.19 0.09 -0.36 -1.13 -1.23 0.00 0.00 177.57 175.14 1vag h ASN 385 N 0.51 -0.94 -0.82 4.19 -1.24 -1.03 0.38 115.58 116.63 1vag h ASN 385 Ca 0.30 0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.38 1vag h ASN 385 Cb 0.30 0.30 -0.04 0.00 0.73 0.00 0.00 38.32 39.61 1vag h ASN 385 CO -0.25 -0.52 0.53 0.11 -1.29 0.00 0.00 177.43 176.01 1vag h LYS 386 N -0.80 1.10 -0.35 6.67 1.57 -0.27 -1.52 116.57 122.97 1vag h LYS 386 Ca -0.04 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.58 1vag h LYS 386 Cb 0.69 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1vag h LYS 386 CO -0.01 0.75 -0.13 1.49 -0.57 0.00 0.00 179.45 180.98 1vag h GLU 387 N 1.13 0.61 -0.32 3.15 4.81 0.13 -2.60 114.58 121.49 1vag h GLU 387 Ca 0.30 -0.19 -0.15 0.00 -0.13 0.00 0.00 59.36 59.19 1vag h GLU 387 Cb -0.10 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1vag h GLU 387 CO -0.06 0.72 -0.41 0.82 -0.73 0.00 0.00 179.01 179.35 1vag h ILE 388 N 0.56 1.28 -0.79 2.32 2.04 0.43 -1.69 117.51 121.67 1vag h ILE 388 Ca 0.10 -1.59 0.04 0.00 1.00 0.00 0.00 64.86 64.41 1vag h ILE 388 Cb 0.55 1.47 -0.05 0.00 -0.74 0.00 0.00 36.82 38.05 1vag h ILE 388 CO 0.03 0.52 0.49 -0.33 0.00 0.00 0.00 178.15 178.86 1vag h GLU 389 N 0.63 0.91 0.16 2.37 4.39 -0.93 0.79 114.58 122.90 1vag h GLU 389 Ca 0.05 -0.05 -0.34 0.00 0.34 0.00 0.00 59.36 59.35 1vag h GLU 389 Cb 0.97 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1vag h GLU 389 CO 0.09 0.60 -1.76 0.66 -1.16 0.00 0.00 179.01 177.44 1vag h SER 390 N 0.94 0.52 -0.01 1.42 4.64 -1.47 -3.39 113.55 116.20 1vag h SER 390 Ca 0.33 -0.93 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 1vag h SER 390 Cb 0.07 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1vag h SER 390 CO -0.13 1.78 -0.48 0.35 -0.87 0.00 0.00 176.83 177.48 1vag n THR 391 N -3.63 0.00 -1.49 2.95 -2.24 -0.64 -4.97 114.28 104.26 1vag n THR 391 Ca -0.27 -0.26 -0.14 0.00 -2.27 0.00 0.00 64.05 61.11 1vag n THR 391 Cb 1.04 1.23 -0.06 0.00 -2.10 0.00 0.00 70.33 70.43 1vag n THR 391 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1vag n SER 392 N -0.15 -4.70 -3.63 3.42 7.64 0.28 -4.92 113.62 111.56 1vag n SER 392 Ca 0.08 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.29 1vag n SER 392 Cb 0.43 -3.49 0.01 0.00 -1.01 0.00 0.00 64.21 60.15 1vag n SER 392 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1vag s THR 393 N -2.55 0.00 0.18 0.44 -1.32 -1.23 -4.78 115.64 106.39 1vag s THR 393 Ca 0.00 -0.34 -0.12 0.00 -1.21 0.00 0.00 61.69 60.02 1vag s THR 393 Cb 0.00 -2.92 0.00 0.00 -1.51 0.00 0.00 72.50 68.07 1vag s THR 393 CO 0.00 0.00 0.38 -0.72 -2.21 0.00 0.00 174.62 172.07 1vag s TYR 394 N -2.08 0.23 -0.16 9.09 -0.85 -1.26 -3.19 117.35 119.13 1vag s TYR 394 Ca 0.26 -0.58 -0.02 0.00 -0.52 0.00 0.00 57.07 56.21 1vag s TYR 394 Cb -0.01 0.12 -0.02 0.00 0.38 0.00 0.00 41.96 42.43 1vag s TYR 394 CO 0.02 -0.82 -0.09 -0.65 -1.52 0.00 0.00 175.55 172.50 1vag s GLN 395 N -3.94 3.45 0.39 -3.49 -1.52 -1.26 -5.06 119.66 108.23 1vag s GLN 395 Ca 0.15 -0.63 -0.25 0.00 -1.95 0.00 0.00 55.36 52.68 1vag s GLN 395 Cb 0.01 -2.80 -0.09 0.00 -0.22 0.00 0.00 33.01 29.92 1vag s GLN 395 CO 0.00 0.12 1.10 -0.51 -0.25 0.00 0.00 175.29 175.75 1vag s LEU 396 N 0.64 4.21 0.96 2.90 1.43 -1.26 -5.02 118.68 122.54 1vag s LEU 396 Ca -0.05 2.19 -0.13 0.00 -1.03 0.00 0.00 54.13 55.11 1vag s LEU 396 Cb -0.15 -4.05 0.17 0.00 0.03 0.00 0.00 46.19 42.18 1vag s LEU 396 CO 0.03 -0.54 1.14 -0.54 0.23 0.00 0.00 176.35 176.67 1vag s LYS 397 N -2.29 0.70 0.16 1.70 1.02 -1.26 -4.83 119.74 114.94 1vag s LYS 397 Ca 0.56 0.22 -0.14 0.00 0.02 0.00 0.00 55.97 56.63 1vag s LYS 397 Cb -0.27 -1.79 0.05 0.00 -0.52 0.00 0.00 37.83 35.29 1vag s LYS 397 CO 0.34 -2.48 1.77 -0.44 -0.92 0.00 0.00 175.35 173.61 1vag h ASP 398 N -1.70 0.63 -0.85 2.83 5.19 -2.00 -2.33 116.42 118.20 1vag h ASP 398 Ca -0.50 -0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 55.79 1vag h ASP 398 Cb 1.32 -0.16 -0.04 0.00 0.18 0.00 0.00 39.33 40.63 1vag h ASP 398 CO 0.56 0.55 0.43 0.71 -3.12 0.00 0.00 179.24 178.36 1vag h THR 399 N 0.67 1.26 -0.04 0.35 1.35 -2.00 -2.11 112.91 112.39 1vag h THR 399 Ca 0.18 -0.70 -0.10 0.00 -0.55 0.00 0.00 66.41 65.23 1vag h THR 399 Cb 0.06 0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 66.62 1vag h THR 399 CO -0.03 0.31 -0.45 -0.33 -0.25 0.00 0.00 175.52 174.77 1vag h GLU 400 N 1.21 0.09 -0.24 4.72 5.08 -1.89 -1.91 114.58 121.64 1vag h GLU 400 Ca 0.29 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.42 1vag h GLU 400 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1vag h GLU 400 CO -0.04 0.53 -0.60 1.25 -1.00 0.00 0.00 179.01 179.14 1vag h LEU 401 N 0.07 0.95 -0.39 1.33 5.85 -1.03 -1.02 115.31 121.07 1vag h LEU 401 Ca 0.00 -0.56 -0.13 0.00 0.84 0.00 0.00 57.88 58.03 1vag h LEU 401 Cb 0.83 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1vag h LEU 401 CO 0.06 1.34 -0.27 0.40 -0.34 0.00 0.00 178.44 179.64 1vag h ILE 402 N 0.60 1.28 -0.55 4.05 2.04 -1.29 -1.12 117.51 122.52 1vag h ILE 402 Ca -0.01 -1.43 -0.05 0.00 1.00 0.00 0.00 64.86 64.38 1vag h ILE 402 Cb 1.22 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 1vag h ILE 402 CO 0.13 0.48 0.14 0.22 0.00 0.00 0.00 178.15 179.12 1vag h TYR 403 N 0.68 0.91 -0.61 1.37 3.20 -1.34 -2.28 116.97 118.90 1vag h TYR 403 Ca 0.08 -0.10 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 1vag h TYR 403 Cb 0.84 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 1vag h TYR 403 CO 0.06 0.78 0.03 0.78 -1.64 0.00 0.00 178.16 178.17 1vag h GLY 404 N 0.77 1.12 0.77 1.82 0.00 -1.05 -2.07 103.07 104.42 1vag h GLY 404 Ca 0.17 -0.79 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 1vag h GLY 404 CO -0.00 0.73 -0.02 0.00 0.00 0.00 0.00 176.54 177.25 1vag h ALA 405 N 1.06 0.20 -0.95 3.60 0.00 -1.10 -1.14 119.26 120.94 1vag h ALA 405 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1vag h ALA 405 Cb 0.51 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1vag h ALA 405 CO 0.02 -0.06 0.60 0.87 0.00 0.00 0.00 179.25 180.68 1vag h LYS 406 N -0.01 1.26 0.00 0.00 1.57 -1.38 -2.42 116.57 115.59 1vag h LYS 406 Ca 0.04 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 1vag h LYS 406 Cb 0.42 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1vag h LYS 406 CO 0.01 0.86 -0.50 0.45 -0.57 0.00 0.00 179.45 179.70 1vag h HIS 407 N 1.29 0.00 -0.57 -1.35 3.86 -1.30 0.11 115.15 117.20 1vag h HIS 407 Ca 0.34 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.50 1vag h HIS 407 Cb -0.10 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.34 1vag h HIS 407 CO 0.00 0.50 0.13 0.00 0.86 0.00 0.00 177.93 179.43 1vag h ALA 408 N 1.50 1.17 0.01 2.45 0.00 -0.73 0.22 119.26 123.87 1vag h ALA 408 Ca -0.01 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 1vag h ALA 408 Cb 1.16 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1vag h ALA 408 CO 0.07 0.56 -0.67 2.35 0.00 0.00 0.00 179.25 181.56 1vag h TRP 409 N 0.84 0.66 -0.48 0.00 7.01 -1.24 -2.71 115.95 120.03 1vag h TRP 409 Ca 0.18 -0.36 0.05 0.00 2.11 0.00 0.00 58.89 60.87 1vag h TRP 409 Cb 0.31 -0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.27 1vag h TRP 409 CO 0.02 1.19 0.32 -0.09 -2.79 0.00 0.00 178.44 177.09 1vag h ARG 410 N -0.06 0.42 -0.01 2.65 2.43 -0.41 -1.45 114.38 117.96 1vag h ARG 410 Ca -0.09 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1vag h ARG 410 Cb 1.38 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 1vag h ARG 410 CO 0.13 0.28 -0.25 0.09 -1.51 0.00 0.00 179.97 178.71 1vag n ASN 411 N -4.48 0.86 -4.56 -3.80 3.02 0.72 -4.81 115.26 102.22 1vag n ASN 411 Ca 0.06 -0.74 -0.26 0.00 -0.03 0.00 0.00 54.58 53.60 1vag n ASN 411 Cb 0.23 0.10 -0.05 0.00 -0.61 0.00 0.00 39.78 39.45 1vag n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vag s ALA 412 N -2.56 1.58 0.66 5.41 0.00 -0.55 -4.74 121.76 121.56 1vag s ALA 412 Ca 0.24 -1.26 0.42 0.00 0.00 0.00 0.00 51.96 51.36 1vag s ALA 412 Cb 0.19 -4.52 2.34 0.00 0.00 0.00 0.00 23.12 21.13 1vag s ALA 412 CO 0.53 -4.86 2.36 0.66 0.00 0.00 0.00 175.76 174.45 1vag h SER 413 N 12.15 0.00 0.12 0.00 4.64 -1.88 -1.72 113.55 126.86 1vag h SER 413 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1vag h SER 413 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1vag h SER 413 CO 1.18 0.00 -0.16 0.54 -0.87 0.00 0.00 176.83 177.52 1vag n ARG 414 N -3.22 1.22 -3.25 4.77 1.74 -1.26 -0.32 116.66 116.34 1vag n ARG 414 Ca -0.03 -0.75 -0.39 0.00 -0.77 0.00 0.00 57.85 55.91 1vag n ARG 414 Cb 0.07 -1.48 -0.07 0.00 -1.02 0.00 0.00 32.46 29.96 1vag n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vag n VAL 416 N 4.59 0.11 -1.06 0.00 3.14 -1.26 -4.12 118.33 119.73 1vag n VAL 416 Ca -0.05 -0.09 -0.07 0.00 -2.96 0.00 0.00 64.34 61.18 1vag n VAL 416 Cb 0.50 0.11 0.30 0.00 -1.06 0.00 0.00 33.84 33.69 1vag n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1vag n GLY 417 N 1.45 3.72 0.00 7.55 0.00 -1.26 -4.47 105.19 112.18 1vag n GLY 417 Ca 0.05 -1.01 0.05 0.00 0.00 0.00 0.00 46.02 45.10 1vag n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vag n ARG 418 N -0.21 0.00 0.33 1.61 1.74 -1.26 -2.60 116.66 116.28 1vag n ARG 418 Ca 0.42 0.34 0.20 0.00 -0.77 0.00 0.00 57.85 58.05 1vag n ARG 418 Cb 1.40 -1.51 1.09 0.00 -1.02 0.00 0.00 32.46 32.43 1vag n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1vag h ILE 419 N 0.00 0.07 -0.00 0.55 2.10 -1.88 0.19 117.51 118.54 1vag h ILE 419 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1vag h ILE 419 Cb 0.16 0.92 0.00 0.00 -1.09 0.00 0.00 36.82 36.81 1vag h ILE 419 CO 0.00 0.00 -0.41 0.00 -1.08 0.00 0.00 178.15 176.66 1vag n GLN 420 N -3.14 0.28 -0.31 2.19 1.13 -1.07 -4.65 117.38 111.81 1vag n GLN 420 Ca -0.02 -0.16 0.31 0.00 -1.94 0.00 0.00 57.00 55.18 1vag n GLN 420 Cb 0.15 -1.50 0.56 0.00 0.11 0.00 0.00 30.24 29.57 1vag n GLN 420 CO 0.00 0.00 0.00 -2.67 -1.44 0.00 0.00 177.06 172.95 1vag n TRP 421 N -1.21 1.03 1.51 1.08 4.27 0.68 -0.37 117.44 124.43 1vag n TRP 421 Ca 0.08 1.04 0.15 0.00 -3.89 0.00 0.00 57.50 54.88 1vag n TRP 421 Cb 0.34 -1.45 0.74 0.00 -1.36 0.00 0.00 31.31 29.58 1vag n TRP 421 CO 0.00 0.00 0.00 -1.13 -2.29 0.00 0.00 177.69 174.27 1vag n SER 422 N -5.03 0.16 -3.95 -0.67 3.41 -1.26 -4.25 113.62 102.02 1vag n SER 422 Ca 0.36 -0.42 -0.34 0.00 -0.26 0.00 0.00 58.87 58.20 1vag n SER 422 Cb 1.23 -0.17 -0.07 0.00 -0.26 0.00 0.00 64.21 64.94 1vag n SER 422 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1vag n LYS 423 N -1.12 2.66 -4.51 4.33 4.81 0.50 -5.02 118.16 119.81 1vag n LYS 423 Ca 0.16 -4.52 -0.22 0.00 -0.87 0.00 0.00 58.31 52.86 1vag n LYS 423 Cb 0.23 -2.38 -0.16 0.00 0.02 0.00 0.00 35.03 32.75 1vag n LYS 423 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1vag s LEU 424 N -1.71 1.81 -0.25 3.14 2.96 -1.26 -4.57 118.68 118.79 1vag s LEU 424 Ca 0.30 -0.23 -0.18 0.00 -0.22 0.00 0.00 54.13 53.79 1vag s LEU 424 Cb -0.02 -0.67 -0.03 0.00 0.50 0.00 0.00 46.19 45.97 1vag s LEU 424 CO -0.10 0.09 0.50 -1.58 -1.32 0.00 0.00 176.35 173.94 1vag s GLN 425 N 0.18 4.08 -0.28 1.98 2.00 -0.62 -4.96 119.66 122.03 1vag s GLN 425 Ca -0.04 0.30 -0.09 0.00 -2.00 0.00 0.00 55.36 53.53 1vag s GLN 425 Cb -0.10 -3.64 -0.03 0.00 0.80 0.00 0.00 33.01 30.04 1vag s GLN 425 CO 0.01 -0.31 0.14 0.08 -0.50 0.00 0.00 175.29 174.71 1vag s VAL 426 N 2.18 4.78 -0.30 1.34 1.01 -1.26 -1.21 120.40 126.94 1vag s VAL 426 Ca 0.21 -0.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 1vag s VAL 426 Cb -0.16 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 1vag s VAL 426 CO 0.09 0.23 0.16 -0.36 0.00 0.00 0.00 175.10 175.22 1vag s PHE 427 N 1.67 3.18 -0.61 5.22 2.99 0.55 -4.99 117.98 125.99 1vag s PHE 427 Ca 0.06 -0.41 -0.25 0.00 0.00 0.00 0.00 56.93 56.34 1vag s PHE 427 Cb -0.16 -2.36 0.05 0.00 0.00 0.00 0.00 43.02 40.55 1vag s PHE 427 CO 0.07 -0.39 1.02 0.34 -0.00 0.00 0.00 175.22 176.27 1vag s ASP 428 N 1.65 6.29 -0.23 1.36 -1.08 -1.26 -0.85 116.67 122.54 1vag s ASP 428 Ca 0.05 -0.47 0.14 0.00 -0.52 0.00 0.00 52.55 51.76 1vag s ASP 428 Cb -0.17 -2.46 0.64 0.00 -1.46 0.00 0.00 42.92 39.47 1vag s ASP 428 CO 0.07 -1.40 1.58 0.00 0.52 0.00 0.00 175.17 175.95 1vag n ALA 429 N 7.91 3.63 0.48 3.66 0.00 0.47 -4.69 120.51 131.96 1vag n ALA 429 Ca 0.01 -2.30 0.05 0.00 0.00 0.00 0.00 53.44 51.20 1vag n ALA 429 Cb 0.47 -0.92 0.25 0.00 0.00 0.00 0.00 19.45 19.25 1vag n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1vag n ARG 430 N -0.22 0.17 0.00 0.00 1.74 -1.02 -1.78 116.66 115.56 1vag n ARG 430 Ca 0.28 0.15 0.12 0.00 -0.77 0.00 0.00 57.85 57.63 1vag n ARG 430 Cb 1.08 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 31.10 1vag n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1vag n ASP 431 N -1.22 2.39 -4.77 0.55 5.75 -1.26 -4.48 116.55 113.51 1vag n ASP 431 Ca 0.05 -1.70 -0.39 0.00 -0.01 0.00 0.00 54.79 52.74 1vag n ASP 431 Cb 0.07 0.23 -0.02 0.00 -1.03 0.00 0.00 41.12 40.37 1vag n ASP 431 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1vag n THR 433 N 0.42 0.00 -4.35 0.00 -2.24 -1.26 -4.77 114.28 102.08 1vag n THR 433 Ca 0.02 -0.17 -0.18 0.00 -2.27 0.00 0.00 64.05 61.45 1vag n THR 433 Cb 0.44 0.83 -0.10 0.00 -2.10 0.00 0.00 70.33 69.40 1vag n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1vag s THR 434 N -0.53 0.56 0.32 4.28 -4.23 -1.26 -4.57 115.64 110.21 1vag s THR 434 Ca 0.00 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.62 1vag s THR 434 Cb 0.00 -2.60 0.03 0.00 1.34 0.00 0.00 72.50 71.27 1vag s THR 434 CO 0.00 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 175.79 1vag h ALA 435 N 2.27 1.17 -0.32 3.99 0.00 -1.89 -2.02 119.26 122.45 1vag h ALA 435 Ca -0.37 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 53.95 1vag h ALA 435 Cb 1.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1vag h ALA 435 CO 0.59 0.62 -0.38 0.45 0.00 0.00 0.00 179.25 180.53 1vag h HIS 436 N 0.03 0.90 -0.45 0.00 3.86 -1.96 -0.71 115.15 116.82 1vag h HIS 436 Ca -0.00 -0.26 -0.07 0.00 -1.16 0.00 0.00 60.37 58.88 1vag h HIS 436 Cb 0.87 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 29.13 1vag h HIS 436 CO 0.00 1.02 -0.01 0.78 0.86 0.00 0.00 177.93 180.58 1vag h GLY 437 N 0.93 0.79 0.89 2.45 0.00 -1.88 -1.95 103.07 104.31 1vag h GLY 437 Ca 0.06 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.79 1vag h GLY 437 CO 0.08 0.49 -0.09 -0.33 0.00 0.00 0.00 176.54 176.69 1vag h MET 438 N 0.69 0.59 -0.64 4.80 0.00 -1.10 -2.53 114.93 116.74 1vag h MET 438 Ca 0.14 -0.23 0.08 0.00 0.00 0.00 0.00 59.70 59.68 1vag h MET 438 Cb 0.44 -0.03 -0.07 0.00 0.00 0.00 0.00 31.60 31.95 1vag h MET 438 CO 0.02 0.79 0.30 0.35 0.00 0.00 0.00 176.91 178.37 1vag h PHE 439 N 0.35 0.53 0.13 -0.22 3.04 -0.82 -0.51 116.94 119.45 1vag h PHE 439 Ca 0.07 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.05 1vag h PHE 439 Cb 0.58 -0.14 -0.00 0.00 2.56 0.00 0.00 35.95 38.95 1vag h PHE 439 CO 0.05 0.20 -0.07 -0.97 -2.02 0.00 0.00 178.31 175.50 1vag h ASN 440 N 0.53 -0.17 -0.81 0.41 -1.24 -1.21 -1.19 115.58 111.90 1vag h ASN 440 Ca 0.31 0.01 0.05 0.00 0.71 0.00 0.00 56.30 57.38 1vag h ASN 440 Cb 0.31 0.05 -0.06 0.00 0.73 0.00 0.00 38.32 39.35 1vag h ASN 440 CO -0.25 -0.12 0.50 1.88 -1.29 0.00 0.00 177.43 178.16 1vag h TYR 441 N -0.19 0.94 -0.45 0.67 -1.99 -1.02 -1.38 116.97 113.55 1vag h TYR 441 Ca -0.02 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.70 1vag h TYR 441 Cb 0.15 -0.30 -0.02 0.00 2.00 0.00 0.00 36.73 38.56 1vag h TYR 441 CO -0.07 0.50 0.11 0.82 -0.00 0.00 0.00 178.16 179.51 1vag h ILE 442 N 0.94 1.23 -0.75 -2.88 2.04 -0.89 0.63 117.51 117.84 1vag h ILE 442 Ca 0.34 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1vag h ILE 442 Cb 0.11 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 1vag h ILE 442 CO -0.15 0.29 0.44 0.00 0.00 0.00 0.00 178.15 178.72 1vag h ASN 444 N 1.02 0.82 0.01 0.00 2.35 -0.97 -0.93 115.58 117.88 1vag h ASN 444 Ca 0.27 -0.24 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1vag h ASN 444 Cb -0.01 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.14 1vag h ASN 444 CO -0.05 0.93 -0.00 -0.74 -1.65 0.00 0.00 177.43 175.92 1vag h HIS 445 N 0.76 -0.01 -0.77 1.19 2.76 -0.24 -0.96 115.15 117.88 1vag h HIS 445 Ca 0.13 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.36 1vag h HIS 445 Cb 0.57 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.47 1vag h HIS 445 CO 0.03 0.21 0.47 0.28 -1.30 0.00 0.00 177.93 177.61 1vag h VAL 446 N -0.22 1.02 -0.10 5.26 2.07 -0.62 0.24 116.25 123.91 1vag h VAL 446 Ca -0.00 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1vag h VAL 446 Cb 0.22 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1vag h VAL 446 CO 0.00 0.16 0.00 0.50 0.02 0.00 0.00 177.57 178.25 1vag h LYS 447 N 0.86 0.17 0.66 1.57 3.64 -1.06 -0.06 116.57 122.35 1vag h LYS 447 Ca 0.34 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1vag h LYS 447 Cb 0.16 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1vag h LYS 447 CO -0.17 0.42 -0.37 -0.92 -2.27 0.00 0.00 179.45 176.15 1vag h TYR 448 N -0.10 -0.96 -0.68 1.91 3.20 -0.76 -1.34 116.97 118.24 1vag h TYR 448 Ca 0.03 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.97 1vag h TYR 448 Cb 0.34 0.33 -0.07 0.00 1.54 0.00 0.00 36.73 38.88 1vag h TYR 448 CO 0.03 -0.57 0.32 0.00 -1.64 0.00 0.00 178.16 176.30 1vag h ALA 449 N -0.66 0.92 -0.33 1.82 0.00 -0.56 -2.54 119.26 117.91 1vag h ALA 449 Ca -0.09 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1vag h ALA 449 Cb 0.76 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1vag h ALA 449 CO 0.11 -0.07 0.11 1.15 0.00 0.00 0.00 179.25 180.55 1vag h THR 450 N 0.56 1.20 -6.77 0.00 2.02 -0.91 -0.92 112.91 108.09 1vag h THR 450 Ca 0.33 -0.63 -0.56 0.00 0.77 0.00 0.00 66.41 66.32 1vag h THR 450 Cb 0.34 1.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.60 1vag h THR 450 CO -0.26 0.22 -0.90 -3.20 0.37 0.00 0.00 175.52 171.74 1vag n ASN 451 N -4.69 -0.70 -3.11 4.18 4.05 -0.51 -0.71 115.26 113.77 1vag n ASN 451 Ca -0.02 -1.10 -0.21 0.00 0.45 0.00 0.00 54.58 53.70 1vag n ASN 451 Cb 0.16 -2.46 0.00 0.00 1.23 0.00 0.00 39.78 38.71 1vag n ASN 451 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1vag n LYS 452 N -4.42 -3.40 0.00 1.20 5.02 -1.26 -1.88 118.16 113.42 1vag n LYS 452 Ca -0.20 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1vag n LYS 452 Cb 0.63 -5.28 0.00 0.00 -0.02 0.00 0.00 35.03 30.36 1vag n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vag n GLY 453 N -1.15 2.93 3.09 0.72 0.00 0.11 -4.96 105.19 105.93 1vag n GLY 453 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1vag n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1vag n ASN 454 N 0.00 5.52 -4.57 1.61 2.85 -0.79 -0.76 115.26 119.13 1vag n ASN 454 Ca 0.00 -3.15 -0.44 0.00 -0.11 0.00 0.00 54.58 50.88 1vag n ASN 454 Cb 0.00 -1.43 -0.01 0.00 1.24 0.00 0.00 39.78 39.58 1vag n ASN 454 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1vag n LEU 455 N 3.42 1.60 -4.01 1.20 4.32 -1.24 -4.57 117.00 117.73 1vag n LEU 455 Ca 0.34 1.12 -0.22 0.00 -0.02 0.00 0.00 56.01 57.23 1vag n LEU 455 Cb 0.37 -1.27 -0.16 0.00 -1.62 0.00 0.00 43.42 40.75 1vag n LEU 455 CO 0.71 -1.65 -0.45 -0.13 -1.22 0.00 0.00 177.39 174.65 1vag s ARG 456 N -1.62 1.21 0.33 3.23 0.52 -0.35 -5.01 118.95 117.27 1vag s ARG 456 Ca 0.60 -0.34 -0.28 0.00 -0.52 0.00 0.00 55.73 55.19 1vag s ARG 456 Cb -0.67 -1.09 -0.10 0.00 0.52 0.00 0.00 34.95 33.61 1vag s ARG 456 CO 0.59 0.08 1.29 -1.12 0.02 0.00 0.00 175.30 176.17 1vag s SER 457 N 0.38 6.76 0.14 0.23 0.01 -1.26 -4.44 113.70 115.52 1vag s SER 457 Ca -0.07 2.66 -0.24 0.00 1.31 0.00 0.00 55.95 59.61 1vag s SER 457 Cb -0.11 -2.65 0.07 0.00 0.21 0.00 0.00 66.02 63.54 1vag s SER 457 CO 0.01 -0.54 0.68 0.00 0.41 0.00 0.00 173.24 173.80 1vag s ALA 458 N -1.15 -1.62 -0.12 1.44 0.00 -0.50 -1.59 121.76 118.22 1vag s ALA 458 Ca 0.49 0.53 -0.11 0.00 0.00 0.00 0.00 51.96 52.87 1vag s ALA 458 Cb -0.39 0.78 0.03 0.00 0.00 0.00 0.00 23.12 23.54 1vag s ALA 458 CO 0.52 -0.78 0.32 -1.50 0.00 0.00 0.00 175.76 174.31 1vag s ILE 459 N -3.62 -0.00 -0.17 0.00 2.07 -0.35 -0.31 121.20 118.82 1vag s ILE 459 Ca 0.03 0.01 -0.01 0.00 -1.41 0.00 0.00 60.65 59.27 1vag s ILE 459 Cb -0.01 -0.45 -0.00 0.00 0.13 0.00 0.00 42.46 42.12 1vag s ILE 459 CO -0.10 0.00 -0.12 -0.89 -1.91 0.00 0.00 174.94 171.92 1vag s THR 460 N 0.26 2.93 -0.33 4.00 2.01 -0.46 -0.33 115.64 123.71 1vag s THR 460 Ca -0.01 -0.67 -0.07 0.00 0.31 0.00 0.00 61.69 61.25 1vag s THR 460 Cb -0.03 -2.27 0.02 0.00 0.01 0.00 0.00 72.50 70.24 1vag s THR 460 CO -0.00 0.49 0.11 -0.63 -0.69 0.00 0.00 174.62 173.90 1vag s ILE 461 N 0.94 3.99 0.74 1.82 1.01 -0.03 -3.09 121.20 126.58 1vag s ILE 461 Ca -0.02 -0.90 -0.07 0.00 0.00 0.00 0.00 60.65 59.65 1vag s ILE 461 Cb -0.15 -3.17 0.08 0.00 0.01 0.00 0.00 42.46 39.24 1vag s ILE 461 CO -0.01 -0.08 1.05 -0.36 0.00 0.00 0.00 174.94 175.55 1vag s PHE 462 N 1.47 2.63 0.24 3.97 0.08 -0.68 -0.39 117.98 125.29 1vag s PHE 462 Ca 0.01 0.37 -0.30 0.00 0.12 0.00 0.00 56.93 57.12 1vag s PHE 462 Cb -0.18 -3.30 -0.15 0.00 -0.57 0.00 0.00 43.02 38.82 1vag s PHE 462 CO 0.03 -1.60 1.12 -2.30 -0.10 0.00 0.00 175.22 172.37 1vag n PRO 463 N -3.03 1.35 -1.08 0.24 -0.02 -1.26 -4.66 135.00 126.55 1vag n PRO 463 Ca 0.10 0.48 -0.30 0.00 -2.02 0.00 0.00 63.50 61.75 1vag n PRO 463 Cb 0.60 -1.93 0.13 0.00 -0.02 0.00 0.00 33.50 32.29 1vag n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1vag s GLN 464 N -0.94 1.41 0.60 -0.52 -2.07 -1.26 -4.58 119.66 112.30 1vag s GLN 464 Ca 0.66 1.09 -0.17 0.00 -1.82 0.00 0.00 55.36 55.11 1vag s GLN 464 Cb -0.76 -1.81 -0.03 0.00 -1.09 0.00 0.00 33.01 29.33 1vag s GLN 464 CO 0.56 -2.21 1.12 0.50 -1.32 0.00 0.00 175.29 173.94 1vag s ARG 465 N -4.83 3.07 0.00 9.60 3.52 0.38 -4.91 118.95 125.77 1vag s ARG 465 Ca 0.64 1.50 0.00 0.00 -0.13 0.00 0.00 55.73 57.73 1vag s ARG 465 Cb -0.19 -1.98 0.00 0.00 -1.56 0.00 0.00 34.95 31.22 1vag s ARG 465 CO 0.57 -1.05 0.00 0.25 -0.81 0.00 0.00 175.30 174.26 1vag n THR 466 N -1.88 0.00 0.00 4.11 -2.24 -1.26 -4.76 114.28 108.25 1vag n THR 466 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1vag n THR 466 Cb 0.51 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 1vag n THR 466 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1vag n ASP 467 N -1.41 0.00 -0.05 3.42 -0.08 -1.26 -4.93 116.55 112.23 1vag n ASP 467 Ca 0.00 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.25 1vag n ASP 467 Cb 0.00 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.45 1vag n ASP 467 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1vag h GLY 468 N 0.00 0.00 0.00 0.27 0.00 -2.02 -3.40 103.07 97.93 1vag h GLY 468 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1vag h GLY 468 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.71 1vag n LYS 469 N -4.07 0.00 0.00 4.80 3.00 -1.26 -4.81 118.16 115.82 1vag n LYS 469 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1vag n LYS 469 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.18 1vag n LYS 469 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1vag n HIS 470 N -3.80 0.00 -4.38 5.64 8.25 -1.26 -4.63 115.22 115.03 1vag n HIS 470 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 1vag n HIS 470 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 1vag n HIS 470 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1vag s ASP 471 N 0.00 4.20 -0.06 0.41 1.47 -1.26 -4.20 116.67 117.23 1vag s ASP 471 Ca 0.00 -1.28 -0.10 0.00 1.18 0.00 0.00 52.55 52.35 1vag s ASP 471 Cb 0.00 -0.24 -0.05 0.00 -0.34 0.00 0.00 42.92 42.29 1vag s ASP 471 CO 0.00 -0.60 0.26 -0.36 0.68 0.00 0.00 175.17 175.15 1vag s PHE 472 N -2.69 3.64 -0.14 2.11 0.40 -1.26 -0.76 117.98 119.28 1vag s PHE 472 Ca 0.33 0.70 -0.12 0.00 -0.60 0.00 0.00 56.93 57.24 1vag s PHE 472 Cb 0.05 -2.07 0.04 0.00 0.51 0.00 0.00 43.02 41.55 1vag s PHE 472 CO 0.18 0.69 0.37 1.03 0.70 0.00 0.00 175.22 178.19 1vag s ARG 473 N -1.15 0.42 -0.40 0.44 1.81 -0.05 -3.52 118.95 116.50 1vag s ARG 473 Ca 0.20 0.56 -0.15 0.00 -1.72 0.00 0.00 55.73 54.62 1vag s ARG 473 Cb -0.14 0.16 0.02 0.00 -0.45 0.00 0.00 34.95 34.54 1vag s ARG 473 CO 0.09 -0.07 0.30 0.08 -0.68 0.00 0.00 175.30 175.02 1vag s VAL 474 N 0.42 5.26 0.20 3.52 1.01 -1.26 -1.05 120.40 128.50 1vag s VAL 474 Ca -0.02 -0.59 0.35 0.00 0.00 0.00 0.00 61.98 61.71 1vag s VAL 474 Cb -0.04 -3.91 0.36 0.00 0.00 0.00 0.00 36.38 32.79 1vag s VAL 474 CO -0.02 -0.28 2.04 -0.50 0.00 0.00 0.00 175.10 176.35 1vag h TRP 475 N 8.62 0.00 -4.02 5.22 4.06 -1.50 -3.42 115.95 124.91 1vag h TRP 475 Ca -0.28 0.00 -0.47 0.00 2.06 0.00 0.00 58.89 60.20 1vag h TRP 475 Cb 1.12 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 29.30 1vag h TRP 475 CO 0.57 0.00 0.39 -0.80 -3.56 0.00 0.00 178.44 175.03 1vag s ASN 476 N -4.92 6.60 0.16 -3.49 -0.87 -1.26 -4.94 114.94 106.21 1vag s ASN 476 Ca -0.02 1.94 0.06 0.00 -1.57 0.00 0.00 52.86 53.27 1vag s ASN 476 Cb 0.10 -2.57 -0.04 0.00 -0.02 0.00 0.00 41.25 38.72 1vag s ASN 476 CO 0.39 -0.60 1.37 0.77 -2.57 0.00 0.00 177.10 176.46 1vag h SER 477 N 2.01 0.09 -4.30 -1.22 4.64 -1.90 -3.32 113.55 109.55 1vag h SER 477 Ca -0.49 -0.08 -0.17 0.00 -0.47 0.00 0.00 61.79 60.57 1vag h SER 477 Cb 1.21 -0.03 -0.24 0.00 -0.31 0.00 0.00 62.40 63.03 1vag h SER 477 CO 0.61 0.94 -0.53 -1.10 -0.87 0.00 0.00 176.83 175.88 1vag s GLN 478 N -3.03 0.30 0.24 4.77 -0.21 -1.26 -1.92 119.66 118.55 1vag s GLN 478 Ca -0.01 -0.07 -0.05 0.00 0.02 0.00 0.00 55.36 55.25 1vag s GLN 478 Cb 0.10 0.13 0.45 0.00 1.00 0.00 0.00 33.01 34.69 1vag s GLN 478 CO 0.81 -0.06 1.70 -0.07 -2.12 0.00 0.00 175.29 175.56 1vag h LEU 479 N 5.23 0.10 -8.16 2.90 4.07 -1.27 -3.38 115.31 114.81 1vag h LEU 479 Ca -0.28 0.13 -0.67 0.00 0.08 0.00 0.00 57.88 57.15 1vag h LEU 479 Cb 1.20 0.16 -0.32 0.00 1.08 0.00 0.00 40.66 42.77 1vag h LEU 479 CO 0.41 0.01 -0.80 -0.63 -1.08 0.00 0.00 178.44 176.36 1vag s ILE 480 N -6.04 2.59 0.15 1.22 1.01 -1.26 -4.88 121.20 113.99 1vag s ILE 480 Ca -0.13 -0.87 -0.18 0.00 0.00 0.00 0.00 60.65 59.47 1vag s ILE 480 Cb 0.21 -2.18 0.04 0.00 0.01 0.00 0.00 42.46 40.53 1vag s ILE 480 CO 0.76 0.41 0.49 -0.13 0.00 0.00 0.00 174.94 176.47 1vag s ARG 481 N 1.34 1.21 0.09 2.79 0.52 -1.26 -4.85 118.95 118.79 1vag s ARG 481 Ca 0.04 -0.69 -0.07 0.00 -0.52 0.00 0.00 55.73 54.49 1vag s ARG 481 Cb -0.14 0.52 -0.05 0.00 0.52 0.00 0.00 34.95 35.79 1vag s ARG 481 CO -0.08 -0.50 0.37 0.71 0.02 0.00 0.00 175.30 175.81 1vag s TYR 482 N -3.81 3.54 0.80 -0.53 4.12 -1.26 -0.36 117.35 119.85 1vag s TYR 482 Ca 0.04 0.66 -0.12 0.00 0.02 0.00 0.00 57.07 57.67 1vag s TYR 482 Cb 0.00 -2.07 0.07 0.00 -1.52 0.00 0.00 41.96 38.45 1vag s TYR 482 CO -0.10 0.50 1.11 0.00 0.02 0.00 0.00 175.55 177.09 1vag s ALA 483 N -1.48 2.33 -0.00 3.71 0.00 0.20 -4.47 121.76 122.04 1vag s ALA 483 Ca 0.35 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1vag s ALA 483 Cb -0.13 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1vag s ALA 483 CO 0.20 -1.71 -0.00 0.20 0.00 0.00 0.00 175.76 174.45 1vag s GLY 484 N -4.08 0.01 -0.07 0.00 0.00 -1.24 -0.86 107.32 101.08 1vag s GLY 484 Ca 0.61 -0.00 -0.00 0.00 0.00 0.00 0.00 44.72 45.32 1vag s GLY 484 CO 0.53 0.00 -0.03 -0.19 0.00 0.00 0.00 173.10 173.41 1vag s TYR 485 N 0.01 0.83 -0.36 1.90 1.51 0.18 -4.30 117.35 117.12 1vag s TYR 485 Ca -0.00 -0.27 -0.29 0.00 -1.01 0.00 0.00 57.07 55.50 1vag s TYR 485 Cb -0.00 -0.82 0.00 0.00 -0.11 0.00 0.00 41.96 41.03 1vag s TYR 485 CO -0.00 -0.30 1.43 0.15 -1.11 0.00 0.00 175.55 175.72 1vag s LYS 486 N 1.51 3.67 0.62 -0.62 1.02 -1.26 -0.21 119.74 124.46 1vag s LYS 486 Ca -0.01 1.12 -0.17 0.00 0.02 0.00 0.00 55.97 56.93 1vag s LYS 486 Cb -0.13 -4.00 -0.02 0.00 -0.52 0.00 0.00 37.83 33.16 1vag s LYS 486 CO -0.03 -1.45 1.14 -0.65 -0.92 0.00 0.00 175.35 173.44 1vag s GLN 487 N 4.76 2.92 0.40 1.68 1.11 0.28 -4.92 119.66 125.91 1vag s GLN 487 Ca 0.62 1.55 0.19 0.00 0.01 0.00 0.00 55.36 57.74 1vag s GLN 487 Cb -0.16 -1.95 0.85 0.00 -1.01 0.00 0.00 33.01 30.73 1vag s GLN 487 CO 0.30 -1.18 1.82 -1.00 0.01 0.00 0.00 175.29 175.24 1vag h PRO 488 N 0.47 0.00 -0.99 2.91 0.13 -1.94 -2.78 132.00 129.80 1vag h PRO 488 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 1vag h PRO 488 Cb 1.26 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1vag h PRO 488 CO 0.55 0.32 0.07 -0.40 -0.23 0.00 0.00 178.00 178.30 1vag n ASP 489 N -3.65 2.89 0.00 1.44 5.75 -1.26 -4.79 116.55 116.92 1vag n ASP 489 Ca -0.01 -2.17 0.00 0.00 -0.01 0.00 0.00 54.79 52.60 1vag n ASP 489 Cb 0.43 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 1vag n ASP 489 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1vag n GLY 490 N 0.28 1.91 3.75 6.12 0.00 -1.05 -4.97 105.19 111.23 1vag n GLY 490 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1vag n GLY 490 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vag s SER 491 N -2.67 2.81 -0.14 1.61 0.01 -1.25 -4.78 113.70 109.28 1vag s SER 491 Ca 0.00 0.86 -0.04 0.00 1.31 0.00 0.00 55.95 58.08 1vag s SER 491 Cb 0.00 -1.33 0.06 0.00 0.21 0.00 0.00 66.02 64.96 1vag s SER 491 CO 0.00 -2.98 0.14 -0.89 0.41 0.00 0.00 173.24 169.93 1vag s THR 492 N -3.24 -0.21 0.04 1.44 2.01 -1.26 0.10 115.64 114.52 1vag s THR 492 Ca 0.67 0.07 -0.20 0.00 0.31 0.00 0.00 61.69 62.54 1vag s THR 492 Cb -0.13 -0.47 -0.06 0.00 0.01 0.00 0.00 72.50 71.85 1vag s THR 492 CO 0.55 -0.08 0.57 -0.22 -0.69 0.00 0.00 174.62 174.75 1vag s LEU 493 N 2.24 4.48 0.00 4.42 2.96 0.70 -4.89 118.68 128.60 1vag s LEU 493 Ca 0.04 1.21 0.00 0.00 -0.22 0.00 0.00 54.13 55.16 1vag s LEU 493 Cb -0.14 -2.89 0.00 0.00 0.50 0.00 0.00 46.19 43.66 1vag s LEU 493 CO -0.08 0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.77 1vag n GLY 494 N 2.01 -0.03 3.48 7.98 0.00 -1.26 0.47 105.19 117.84 1vag n GLY 494 Ca -0.09 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.40 1vag n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1vag s ASP 495 N -4.00 6.23 0.55 1.61 -1.08 -0.04 -4.75 116.67 115.20 1vag s ASP 495 Ca 0.00 -0.66 0.27 0.00 -0.52 0.00 0.00 52.55 51.64 1vag s ASP 495 Cb 0.00 -2.26 1.45 0.00 -1.46 0.00 0.00 42.92 40.65 1vag s ASP 495 CO 0.00 -0.70 1.98 -0.65 0.52 0.00 0.00 175.17 176.32 1vag h PRO 496 N 8.82 0.00 0.00 4.34 0.11 -1.82 -0.48 132.00 142.96 1vag h PRO 496 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1vag h PRO 496 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1vag h PRO 496 CO 0.86 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.65 1vag h ALA 497 N 1.67 1.00 -0.16 -0.75 0.00 -1.92 -3.05 119.26 116.04 1vag h ALA 497 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1vag h ALA 497 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1vag h ALA 497 CO -0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1vag n ASN 498 N -2.54 3.27 -0.21 0.00 5.03 -0.19 -4.73 115.26 115.90 1vag n ASN 498 Ca 0.01 -3.02 -0.09 0.00 0.87 0.00 0.00 54.58 52.35 1vag n ASN 498 Cb 0.22 -0.49 0.02 0.00 -1.02 0.00 0.00 39.78 38.51 1vag n ASN 498 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1vag h VAL 499 N 1.11 1.27 -0.05 2.41 2.07 -1.61 -1.14 116.25 120.31 1vag h VAL 499 Ca 0.00 -1.16 -0.12 0.00 0.82 0.00 0.00 66.70 66.23 1vag h VAL 499 Cb 1.26 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1vag h VAL 499 CO 0.13 0.42 -0.53 1.56 0.02 0.00 0.00 177.57 179.18 1vag h GLN 500 N 0.95 0.14 -0.03 1.57 1.08 -1.85 -2.59 115.11 114.39 1vag h GLN 500 Ca 0.17 -0.08 -0.25 0.00 -1.45 0.00 0.00 58.65 57.04 1vag h GLN 500 Cb 0.57 0.01 0.02 0.00 -0.05 0.00 0.00 27.48 28.03 1vag h GLN 500 CO 0.03 0.63 -0.94 0.35 -0.95 0.00 0.00 178.83 177.95 1vag h PHE 501 N 0.11 1.00 -0.67 2.96 3.57 -1.87 -2.99 116.94 119.05 1vag h PHE 501 Ca 0.00 -0.53 0.10 0.00 3.53 0.00 0.00 57.97 61.07 1vag h PHE 501 Cb 0.97 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.54 1vag h PHE 501 CO 0.01 1.36 0.45 1.15 -2.23 0.00 0.00 178.31 179.05 1vag h THR 502 N 0.36 0.92 -0.35 4.41 2.02 -1.09 -1.16 112.91 118.02 1vag h THR 502 Ca -0.11 -0.18 -0.14 0.00 0.77 0.00 0.00 66.41 66.75 1vag h THR 502 Cb 1.60 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1vag h THR 502 CO 0.19 0.10 -0.34 -0.33 0.37 0.00 0.00 175.52 175.50 1vag h GLU 503 N 0.53 0.84 -0.56 6.66 4.39 -1.41 -1.58 114.58 123.46 1vag h GLU 503 Ca 0.31 -0.44 0.01 0.00 0.34 0.00 0.00 59.36 59.58 1vag h GLU 503 Cb 0.51 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 1vag h GLU 503 CO -0.10 1.08 0.36 0.82 -1.16 0.00 0.00 179.01 180.01 1vag h ILE 504 N 0.64 1.12 0.33 3.13 2.04 -1.10 -1.03 117.51 122.63 1vag h ILE 504 Ca 0.06 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1vag h ILE 504 Cb 0.93 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1vag h ILE 504 CO 0.08 0.13 -0.16 0.00 0.00 0.00 0.00 178.15 178.21 1vag h ILE 506 N -0.51 0.87 0.00 0.00 2.04 -1.10 0.27 117.51 119.09 1vag h ILE 506 Ca -0.04 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1vag h ILE 506 Cb 0.38 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1vag h ILE 506 CO 0.07 0.17 0.00 1.56 0.00 0.00 0.00 178.15 179.95 1vag h GLN 507 N 0.91 0.00 -0.24 2.37 4.20 -1.03 -2.04 115.11 119.29 1vag h GLN 507 Ca 0.50 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.21 1vag h GLN 507 Cb 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1vag h GLN 507 CO -0.27 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 178.93 1vag n GLN 508 N -2.74 1.96 0.00 1.46 1.13 0.89 -4.90 117.38 115.18 1vag n GLN 508 Ca 0.02 -1.46 0.00 0.00 -1.94 0.00 0.00 57.00 53.62 1vag n GLN 508 Cb 0.30 -1.42 0.00 0.00 0.11 0.00 0.00 30.24 29.23 1vag n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1vag n GLY 509 N 1.24 0.65 3.74 1.08 0.00 -0.77 -4.94 105.19 106.18 1vag n GLY 509 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1vag n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1vag s TRP 510 N -2.00 2.80 -1.22 1.61 -0.00 -0.75 -4.89 118.94 114.50 1vag s TRP 510 Ca 0.00 0.59 -0.11 0.00 -0.00 0.00 0.00 56.10 56.58 1vag s TRP 510 Cb 0.00 -4.11 0.19 0.00 -0.00 0.00 0.00 33.47 29.55 1vag s TRP 510 CO 0.00 -3.92 1.58 1.17 -0.00 0.00 0.00 176.95 175.78 1vag n LYS 511 N 2.90 3.56 -1.65 5.86 4.81 -1.26 -4.44 118.16 127.94 1vag n LYS 511 Ca 0.11 -3.83 -0.49 0.00 -0.87 0.00 0.00 58.31 53.23 1vag n LYS 511 Cb 0.36 -2.92 -0.05 0.00 0.02 0.00 0.00 35.03 32.44 1vag n LYS 511 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1vag n ALA 512 N 4.43 0.46 1.54 3.14 0.00 -1.26 -4.82 120.51 123.99 1vag n ALA 512 Ca 0.36 0.44 0.09 0.00 0.00 0.00 0.00 53.44 54.33 1vag n ALA 512 Cb 0.39 -2.28 0.56 0.00 0.00 0.00 0.00 19.45 18.12 1vag n ALA 512 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1vag n PRO 513 N 3.86 0.77 -4.25 0.00 -0.02 -1.26 -4.88 135.00 129.23 1vag n PRO 513 Ca 0.19 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.31 1vag n PRO 513 Cb 0.25 -1.38 -0.04 0.00 -0.02 0.00 0.00 33.50 32.30 1vag n PRO 513 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1vag n ARG 514 N -0.88 -2.77 -2.80 -0.52 3.00 -1.26 -4.95 116.66 106.47 1vag n ARG 514 Ca 0.14 0.33 -0.16 0.00 -0.00 0.00 0.00 57.85 58.17 1vag n ARG 514 Cb 0.07 -4.95 0.01 0.00 0.00 0.00 0.00 32.46 27.59 1vag n ARG 514 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vag n GLY 515 N -1.45 2.57 0.11 5.14 0.00 -1.26 -5.06 105.19 105.24 1vag n GLY 515 Ca 0.03 -2.24 -0.17 0.00 0.00 0.00 0.00 46.02 43.65 1vag n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1vag h ARG 516 N 0.00 0.24 -2.17 1.61 2.43 -1.93 -3.39 114.38 111.18 1vag h ARG 516 Ca -0.21 -0.41 -0.58 0.00 -0.81 0.00 0.00 59.98 57.97 1vag h ARG 516 Cb 0.83 0.15 -0.41 0.00 -0.42 0.00 0.00 29.97 30.12 1vag h ARG 516 CO 0.33 1.10 -0.76 1.19 -1.51 0.00 0.00 179.97 180.31 1vag n PHE 517 N -3.44 2.73 -3.37 2.20 3.01 -1.26 -4.03 117.46 113.29 1vag n PHE 517 Ca -0.16 -3.97 -0.40 0.00 1.01 0.00 0.00 57.45 53.93 1vag n PHE 517 Cb 1.04 -0.49 -0.09 0.00 -0.01 0.00 0.00 39.48 39.94 1vag n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1vag s ASP 518 N -2.60 6.24 0.01 4.37 1.01 -1.26 -4.95 116.67 119.49 1vag s ASP 518 Ca 0.42 0.09 -0.30 0.00 0.71 0.00 0.00 52.55 53.47 1vag s ASP 518 Cb 0.22 -2.22 -0.07 0.00 1.01 0.00 0.00 42.92 41.86 1vag s ASP 518 CO -0.08 -0.27 1.65 -0.69 0.21 0.00 0.00 175.17 175.99 1vag s VAL 519 N 2.11 3.31 0.75 -1.27 1.01 -1.26 -0.63 120.40 124.41 1vag s VAL 519 Ca 0.15 0.60 -0.12 0.00 0.00 0.00 0.00 61.98 62.61 1vag s VAL 519 Cb -0.16 -3.39 0.05 0.00 0.00 0.00 0.00 36.38 32.88 1vag s VAL 519 CO 0.11 -0.02 1.11 -0.76 0.00 0.00 0.00 175.10 175.53 1vag s LEU 520 N 3.24 3.14 0.51 3.92 1.43 0.51 -4.88 118.68 126.55 1vag s LEU 520 Ca 0.74 1.93 -0.11 0.00 -1.03 0.00 0.00 54.13 55.66 1vag s LEU 520 Cb -0.37 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.26 1vag s LEU 520 CO 0.31 -2.00 0.90 -2.16 0.23 0.00 0.00 176.35 173.63 1vag s PRO 521 N -4.59 3.71 0.19 1.29 0.04 -1.26 -4.77 135.00 129.61 1vag s PRO 521 Ca 0.64 0.61 -0.29 0.00 0.04 0.00 0.00 61.00 62.00 1vag s PRO 521 Cb -0.19 -2.23 -0.08 0.00 0.04 0.00 0.00 34.50 32.04 1vag s PRO 521 CO 0.51 -0.29 0.90 -0.51 0.04 0.00 0.00 177.00 177.65 1vag s LEU 522 N -4.50 4.60 -0.45 -3.56 1.43 0.28 -4.84 118.68 111.63 1vag s LEU 522 Ca 0.53 1.83 0.04 0.00 -1.03 0.00 0.00 54.13 55.50 1vag s LEU 522 Cb -0.10 -3.52 0.12 0.00 0.03 0.00 0.00 46.19 42.72 1vag s LEU 522 CO 0.41 0.12 0.18 -0.22 0.23 0.00 0.00 176.35 177.07 1vag s LEU 523 N -0.87 4.41 -0.09 1.79 2.96 -1.26 -0.47 118.68 125.15 1vag s LEU 523 Ca 0.41 -2.68 -0.10 0.00 -0.22 0.00 0.00 54.13 51.54 1vag s LEU 523 Cb -0.25 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 1vag s LEU 523 CO 0.30 -0.29 0.24 -0.76 -1.32 0.00 0.00 176.35 174.52 1vag s LEU 524 N 0.18 4.40 -0.18 -0.68 1.43 -0.33 -1.27 118.68 122.22 1vag s LEU 524 Ca 0.15 0.62 0.01 0.00 -1.03 0.00 0.00 54.13 53.87 1vag s LEU 524 Cb -0.23 -2.26 0.03 0.00 0.03 0.00 0.00 46.19 43.76 1vag s LEU 524 CO -0.03 0.35 -0.15 -1.58 0.23 0.00 0.00 176.35 175.17 1vag s GLN 525 N -0.85 2.44 -0.04 1.70 0.74 -0.21 0.07 119.66 123.51 1vag s GLN 525 Ca 0.18 -0.76 0.05 0.00 0.05 0.00 0.00 55.36 54.88 1vag s GLN 525 Cb -0.13 -2.37 -0.02 0.00 1.10 0.00 0.00 33.01 31.58 1vag s GLN 525 CO 0.07 -0.29 -0.19 0.00 -0.55 0.00 0.00 175.29 174.33 1vag s ALA 526 N 1.38 2.47 -1.64 1.58 0.00 -1.26 -0.87 121.76 123.43 1vag s ALA 526 Ca 0.03 -1.03 -0.13 0.00 0.00 0.00 0.00 51.96 50.83 1vag s ALA 526 Cb -0.14 -0.82 0.11 0.00 0.00 0.00 0.00 23.12 22.27 1vag s ALA 526 CO -0.10 0.54 0.60 0.09 0.00 0.00 0.00 175.76 176.89 1vag n ASN 527 N 2.39 -2.02 -0.54 0.00 3.02 -1.22 -1.28 115.26 115.62 1vag n ASN 527 Ca -0.17 -1.06 -0.07 0.00 -0.03 0.00 0.00 54.58 53.25 1vag n ASN 527 Cb 0.52 -2.59 -0.03 0.00 -0.61 0.00 0.00 39.78 37.07 1vag n ASN 527 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vag n GLY 528 N -1.62 0.73 3.92 7.41 0.00 0.06 -4.56 105.19 111.13 1vag n GLY 528 Ca -0.05 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 1vag n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1vag s ASN 529 N -2.32 6.02 0.57 1.61 0.01 -0.40 -4.94 114.94 115.49 1vag s ASN 529 Ca 0.00 0.72 -0.19 0.00 -0.71 0.00 0.00 52.86 52.69 1vag s ASN 529 Cb 0.00 -1.97 -0.07 0.00 0.41 0.00 0.00 41.25 39.62 1vag s ASN 529 CO 0.00 -0.70 0.74 0.47 -1.51 0.00 0.00 177.10 176.10 1vag n ASP 530 N -2.27 -0.12 -4.79 -1.22 8.00 -1.26 -4.28 116.55 110.61 1vag n ASP 530 Ca 0.01 0.79 -0.32 0.00 0.71 0.00 0.00 54.79 55.99 1vag n ASP 530 Cb 0.56 -1.27 0.05 0.00 -0.02 0.00 0.00 41.12 40.44 1vag n ASP 530 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1vag s PRO 531 N -2.34 2.84 0.01 -0.24 0.04 -1.26 -4.68 135.00 129.38 1vag s PRO 531 Ca 0.71 1.15 0.05 0.00 0.04 0.00 0.00 61.00 62.96 1vag s PRO 531 Cb -0.45 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 1vag s PRO 531 CO 0.52 -1.19 -0.16 -1.21 0.04 0.00 0.00 177.00 175.00 1vag s GLU 532 N -4.58 1.17 0.12 4.56 2.02 0.11 -4.86 118.70 117.25 1vag s GLU 532 Ca 0.62 -0.67 -0.27 0.00 0.02 0.00 0.00 54.97 54.67 1vag s GLU 532 Cb -0.16 -1.17 -0.07 0.00 0.10 0.00 0.00 34.13 32.82 1vag s GLU 532 CO 0.48 0.31 0.83 -0.51 0.02 0.00 0.00 175.26 176.39 1vag s LEU 533 N -0.72 4.53 -0.03 1.80 1.43 -1.26 -1.19 118.68 123.25 1vag s LEU 533 Ca 0.05 1.65 -0.05 0.00 -1.03 0.00 0.00 54.13 54.76 1vag s LEU 533 Cb -0.07 -3.38 0.01 0.00 0.03 0.00 0.00 46.19 42.78 1vag s LEU 533 CO 0.00 0.08 0.11 -0.36 0.23 0.00 0.00 176.35 176.41 1vag s PHE 534 N -0.55 -0.05 -0.38 0.29 0.40 0.38 -4.96 117.98 113.12 1vag s PHE 534 Ca 0.40 0.12 -0.13 0.00 -0.60 0.00 0.00 56.93 56.72 1vag s PHE 534 Cb -0.23 -0.00 0.01 0.00 0.51 0.00 0.00 43.02 43.32 1vag s PHE 534 CO 0.27 -0.13 0.24 -1.14 0.70 0.00 0.00 175.22 175.16 1vag s GLN 535 N -0.45 3.04 0.31 0.44 2.00 -1.26 0.99 119.66 124.72 1vag s GLN 535 Ca -0.05 -0.95 -0.30 0.00 -2.00 0.00 0.00 55.36 52.06 1vag s GLN 535 Cb -0.03 -3.82 -0.12 0.00 0.80 0.00 0.00 33.01 29.84 1vag s GLN 535 CO 0.00 -0.65 1.58 -0.89 -0.50 0.00 0.00 175.29 174.83 1vag n ILE 536 N 5.08 1.20 -1.64 -2.34 5.41 -1.26 -4.83 119.36 120.98 1vag n ILE 536 Ca -0.12 -0.30 -0.46 0.00 1.00 0.00 0.00 62.75 62.87 1vag n ILE 536 Cb 0.47 -1.97 -0.04 0.00 -0.71 0.00 0.00 39.64 37.39 1vag n ILE 536 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1vag n PRO 537 N 1.85 2.15 -0.32 0.38 -0.02 -1.26 -4.85 135.00 132.93 1vag n PRO 537 Ca 0.07 0.74 0.18 0.00 -2.02 0.00 0.00 63.50 62.48 1vag n PRO 537 Cb 0.37 -2.80 0.37 0.00 -0.02 0.00 0.00 33.50 31.42 1vag n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1vag h PRO 538 N 10.93 0.18 0.00 0.52 0.11 -1.94 0.71 132.00 142.52 1vag h PRO 538 Ca -0.45 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1vag h PRO 538 Cb 1.27 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1vag h PRO 538 CO 0.96 0.12 -0.00 1.05 -0.21 0.00 0.00 178.00 179.92 1vag h GLU 539 N 0.19 0.00 0.00 1.05 9.09 -2.02 0.57 114.58 123.46 1vag h GLU 539 Ca 0.64 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.05 1vag h GLU 539 Cb 1.40 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.50 1vag h GLU 539 CO -0.69 0.00 -0.71 -0.07 0.05 0.00 0.00 179.01 177.59 1vag h LEU 540 N 0.00 0.00 -8.08 3.06 3.38 0.08 -3.43 115.31 110.32 1vag h LEU 540 Ca -0.00 -0.11 -0.70 0.00 0.09 0.00 0.00 57.88 57.16 1vag h LEU 540 Cb 0.01 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.57 1vag h LEU 540 CO 0.00 0.06 0.36 -0.69 0.09 0.00 0.00 178.44 178.26 1vag s VAL 541 N -3.25 4.83 0.02 1.22 1.01 0.19 -4.82 120.40 119.61 1vag s VAL 541 Ca 0.04 -1.26 -0.30 0.00 0.00 0.00 0.00 61.98 60.46 1vag s VAL 541 Cb 0.11 -4.59 -0.04 0.00 0.00 0.00 0.00 36.38 31.85 1vag s VAL 541 CO 0.74 -1.26 1.15 -0.22 0.00 0.00 0.00 175.10 175.51 1vag s LEU 542 N 2.54 4.35 0.13 3.92 2.96 -1.26 -4.98 118.68 126.33 1vag s LEU 542 Ca 0.19 1.89 0.05 0.00 -0.22 0.00 0.00 54.13 56.04 1vag s LEU 542 Cb -0.16 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 1vag s LEU 542 CO 0.01 -0.46 -0.12 -1.61 -1.32 0.00 0.00 176.35 172.85 1vag s GLU 543 N 1.35 1.01 -0.12 1.98 2.02 -1.26 -1.41 118.70 122.28 1vag s GLU 543 Ca 0.57 -1.32 0.01 0.00 0.02 0.00 0.00 54.97 54.24 1vag s GLU 543 Cb -0.26 -0.72 0.02 0.00 0.10 0.00 0.00 34.13 33.26 1vag s GLU 543 CO 0.27 0.12 -0.13 0.08 0.02 0.00 0.00 175.26 175.62 1vag s VAL 544 N -2.71 1.35 -0.03 2.63 1.01 0.32 -4.87 120.40 118.10 1vag s VAL 544 Ca 0.12 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 1vag s VAL 544 Cb -0.01 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1vag s VAL 544 CO 0.02 0.42 1.19 -2.16 0.00 0.00 0.00 175.10 174.56 1vag s PRO 545 N 1.27 4.38 -0.16 2.72 0.04 -1.26 -1.20 135.00 140.78 1vag s PRO 545 Ca -0.01 1.68 -0.26 0.00 0.04 0.00 0.00 61.00 62.45 1vag s PRO 545 Cb -0.14 -3.51 -0.01 0.00 0.04 0.00 0.00 34.50 30.87 1vag s PRO 545 CO -0.05 -0.39 0.84 0.42 0.04 0.00 0.00 177.00 177.86 1vag s ILE 546 N 1.94 4.88 0.05 0.56 -1.09 0.35 -4.91 121.20 122.98 1vag s ILE 546 Ca 0.56 1.66 -0.01 0.00 -2.23 0.00 0.00 60.65 60.64 1vag s ILE 546 Cb -0.25 -4.15 -0.04 0.00 -1.58 0.00 0.00 42.46 36.44 1vag s ILE 546 CO 0.24 0.03 -0.03 0.00 -1.23 0.00 0.00 174.94 173.94 1vag s ARG 547 N 2.11 0.60 -0.03 2.79 3.03 -1.26 -4.29 118.95 121.90 1vag s ARG 547 Ca 0.39 -1.16 -0.02 0.00 2.03 0.00 0.00 55.73 56.97 1vag s ARG 547 Cb -0.17 0.16 -0.04 0.00 -1.03 0.00 0.00 34.95 33.88 1vag s ARG 547 CO 0.13 -0.09 0.11 -1.58 -1.13 0.00 0.00 175.30 172.73 1vag s HIS 548 N -3.63 3.38 -2.00 5.89 2.46 -1.26 -4.39 115.29 115.74 1vag s HIS 548 Ca 0.05 0.28 0.15 0.00 0.47 0.00 0.00 55.06 56.01 1vag s HIS 548 Cb 0.06 -1.79 0.89 0.00 -0.13 0.00 0.00 32.58 31.62 1vag s HIS 548 CO -0.09 0.59 1.44 -0.35 -2.47 0.00 0.00 174.74 173.86 1vag n PRO 549 N 1.29 0.80 0.00 2.88 -0.04 -1.26 -4.01 135.00 134.66 1vag n PRO 549 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1vag n PRO 549 Cb 0.53 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 1vag n PRO 549 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1vag n LYS 550 N -0.79 0.00 -3.25 0.54 4.76 -1.26 -5.01 118.16 113.15 1vag n LYS 550 Ca 0.11 0.00 -0.46 0.00 -2.87 0.00 0.00 58.31 55.09 1vag n LYS 550 Cb 0.05 -0.45 -0.03 0.00 -1.84 0.00 0.00 35.03 32.76 1vag n LYS 550 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1vag s PHE 551 N -1.00 3.42 0.64 2.13 2.99 -1.26 -4.89 117.98 120.01 1vag s PHE 551 Ca 0.00 -1.54 0.38 0.00 0.00 0.00 0.00 56.93 55.77 1vag s PHE 551 Cb 0.00 -3.89 2.14 0.00 0.00 0.00 0.00 43.02 41.27 1vag s PHE 551 CO 0.00 -1.09 2.29 0.22 -0.00 0.00 0.00 175.22 176.64 1vag h ASP 552 N 8.46 0.00 1.03 1.36 1.82 -1.95 0.05 116.42 127.19 1vag h ASP 552 Ca -0.09 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 1vag h ASP 552 Cb 1.07 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.08 1vag h ASP 552 CO 0.93 0.00 0.00 -2.67 -1.61 0.00 0.00 179.24 175.89 1vag n TRP 553 N -3.37 0.57 -0.35 0.28 4.27 -1.26 -3.48 117.44 114.10 1vag n TRP 553 Ca -0.03 0.19 -0.03 0.00 -3.89 0.00 0.00 57.50 53.74 1vag n TRP 553 Cb 0.11 -0.81 0.10 0.00 -1.36 0.00 0.00 31.31 29.35 1vag n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 1vag h PHE 554 N 0.00 1.23 -0.55 -2.67 3.57 -1.34 -2.71 116.94 114.47 1vag h PHE 554 Ca 0.00 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 1vag h PHE 554 Cb 0.51 -0.41 -0.11 0.00 2.79 0.00 0.00 35.95 38.74 1vag h PHE 554 CO 0.00 0.81 -0.24 0.87 -2.23 0.00 0.00 178.31 177.52 1vag h LYS 555 N 1.29 -0.10 0.00 1.11 1.57 -1.74 -0.95 116.57 117.75 1vag h LYS 555 Ca 0.34 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1vag h LYS 555 Cb -0.07 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1vag h LYS 555 CO -0.06 -0.07 0.26 -0.44 -0.57 0.00 0.00 179.45 178.57 1vag h ASP 556 N -0.10 0.00 0.64 0.86 5.19 -1.70 -0.39 116.42 120.92 1vag h ASP 556 Ca 0.25 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.66 1vag h ASP 556 Cb 0.50 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.01 1vag h ASP 556 CO -0.62 0.00 0.00 -0.07 -3.12 0.00 0.00 179.24 175.43 1vag h LEU 557 N 0.00 0.00 1.06 1.55 3.38 -1.27 -3.46 115.31 116.57 1vag h LEU 557 Ca 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 1vag h LEU 557 Cb 0.53 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.29 1vag h LEU 557 CO 0.00 0.00 -0.35 0.61 0.09 0.00 0.00 178.44 178.79 1vag n GLY 558 N -0.29 -0.10 3.81 0.83 0.00 -0.15 -5.00 105.19 104.29 1vag n GLY 558 Ca 0.01 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 1vag n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vag s LEU 559 N -3.96 4.53 0.02 0.99 1.43 -1.26 -4.99 118.68 115.44 1vag s LEU 559 Ca 0.10 1.30 -0.22 0.00 -1.03 0.00 0.00 54.13 54.27 1vag s LEU 559 Cb -0.04 -2.96 0.05 0.00 0.03 0.00 0.00 46.19 43.27 1vag s LEU 559 CO 0.12 0.26 0.50 -0.75 0.23 0.00 0.00 176.35 176.71 1vag s LYS 560 N -1.16 0.96 0.10 1.70 2.20 -1.26 0.13 119.74 122.41 1vag s LYS 560 Ca 0.30 -0.14 -0.09 0.00 -0.36 0.00 0.00 55.97 55.67 1vag s LYS 560 Cb -0.20 0.44 0.00 0.00 -1.51 0.00 0.00 37.83 36.56 1vag s LYS 560 CO 0.20 -0.32 0.22 -0.46 -0.36 0.00 0.00 175.35 174.62 1vag s TRP 561 N -2.00 0.14 0.28 4.03 -0.11 -0.34 -4.91 118.94 116.02 1vag s TRP 561 Ca -0.08 -0.55 -0.15 0.00 1.22 0.00 0.00 56.10 56.54 1vag s TRP 561 Cb -0.01 -0.03 -0.08 0.00 -1.50 0.00 0.00 33.47 31.84 1vag s TRP 561 CO 0.02 -0.57 0.70 1.52 -4.62 0.00 0.00 176.95 173.99 1vag s TYR 562 N -3.86 3.44 -0.49 5.86 -0.85 -1.26 0.12 117.35 120.31 1vag s TYR 562 Ca 0.06 1.19 0.24 0.00 -0.52 0.00 0.00 57.07 58.03 1vag s TYR 562 Cb 0.04 -2.50 0.36 0.00 0.38 0.00 0.00 41.96 40.25 1vag s TYR 562 CO -0.10 0.18 1.46 0.78 -1.52 0.00 0.00 175.55 176.35 1vag h GLY 563 N 2.58 0.00 -7.63 5.49 0.00 -1.57 -3.45 103.07 98.48 1vag h GLY 563 Ca -0.48 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.15 1vag h GLY 563 CO 0.66 0.00 -0.57 -2.27 0.00 0.00 0.00 176.54 174.36 1vag s LEU 564 N -5.32 4.50 -0.15 3.11 2.96 -1.26 -4.55 118.68 117.97 1vag s LEU 564 Ca 0.06 -1.16 -0.23 0.00 -0.22 0.00 0.00 54.13 52.58 1vag s LEU 564 Cb 0.09 -1.91 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 1vag s LEU 564 CO 0.69 -0.36 0.73 -2.16 -1.32 0.00 0.00 176.35 173.93 1vag s PRO 565 N 1.43 4.30 -0.23 0.98 0.04 -1.26 -4.70 135.00 135.57 1vag s PRO 565 Ca -0.00 0.85 -0.04 0.00 0.04 0.00 0.00 61.00 61.84 1vag s PRO 565 Cb -0.20 -3.54 0.08 0.00 0.04 0.00 0.00 34.50 30.88 1vag s PRO 565 CO 0.03 -0.20 0.13 0.00 0.04 0.00 0.00 177.00 177.01 1vag s ALA 566 N 1.73 0.37 -0.04 8.56 0.00 -1.26 -3.30 121.76 127.81 1vag s ALA 566 Ca 0.35 -0.55 -0.30 0.00 0.00 0.00 0.00 51.96 51.46 1vag s ALA 566 Cb -0.17 -1.25 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 1vag s ALA 566 CO 0.13 -1.40 1.16 0.08 0.00 0.00 0.00 175.76 175.73 1vag s VAL 567 N 2.16 4.34 0.00 0.00 1.01 -0.01 -0.78 120.40 127.12 1vag s VAL 567 Ca 0.06 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.70 1vag s VAL 567 Cb -0.16 -4.07 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1vag s VAL 567 CO -0.22 0.03 0.62 -1.54 0.00 0.00 0.00 175.10 173.99 1vag n SER 568 N 4.91 1.07 -0.68 3.32 3.41 -0.81 -1.10 113.62 123.75 1vag n SER 568 Ca 0.10 -1.39 0.07 0.00 -0.26 0.00 0.00 58.87 57.40 1vag n SER 568 Cb 0.47 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.54 1vag n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1vag n ASN 569 N -0.19 2.61 -4.95 4.04 2.04 -1.23 -4.32 115.26 113.25 1vag n ASN 569 Ca 0.00 -1.76 -0.23 0.00 -0.44 0.00 0.00 54.58 52.14 1vag n ASN 569 Cb 0.22 -0.12 0.04 0.00 -2.53 0.00 0.00 39.78 37.39 1vag n ASN 569 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 1vag s MET 570 N -1.11 2.58 -0.11 -3.83 -1.94 -1.26 -4.41 119.30 109.22 1vag s MET 570 Ca 0.22 -0.51 0.02 0.00 -1.71 0.00 0.00 55.69 53.71 1vag s MET 570 Cb 0.13 -2.39 -0.01 0.00 2.01 0.00 0.00 34.83 34.57 1vag s MET 570 CO 0.19 -0.77 -0.18 -1.17 -0.01 0.00 0.00 175.02 173.07 1vag s LEU 571 N -4.88 2.43 -0.23 -0.03 0.20 -0.55 -4.42 118.68 111.20 1vag s LEU 571 Ca 0.56 -0.42 -0.11 0.00 0.69 0.00 0.00 54.13 54.85 1vag s LEU 571 Cb -0.10 -1.51 -0.05 0.00 -0.43 0.00 0.00 46.19 44.10 1vag s LEU 571 CO 0.41 0.18 0.19 -0.22 -0.29 0.00 0.00 176.35 176.62 1vag s LEU 572 N 0.22 4.14 -0.18 -0.68 2.96 -0.54 -0.84 118.68 123.76 1vag s LEU 572 Ca -0.12 0.20 -0.00 0.00 -0.22 0.00 0.00 54.13 53.99 1vag s LEU 572 Cb -0.16 -2.17 0.01 0.00 0.50 0.00 0.00 46.19 44.36 1vag s LEU 572 CO 0.06 0.06 -0.15 -0.70 -1.32 0.00 0.00 176.35 174.31 1vag s GLU 573 N 0.97 3.16 -0.05 1.98 2.12 -0.13 0.05 118.70 126.80 1vag s GLU 573 Ca 0.10 -0.75 -0.00 0.00 0.36 0.00 0.00 54.97 54.67 1vag s GLU 573 Cb -0.13 -2.69 0.03 0.00 0.26 0.00 0.00 34.13 31.60 1vag s GLU 573 CO 0.04 -0.12 -0.00 0.42 -0.54 0.00 0.00 175.26 175.05 1vag s ILE 574 N 1.15 0.31 -1.53 -3.70 1.01 -0.73 -2.08 121.20 115.63 1vag s ILE 574 Ca 0.01 0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.64 1vag s ILE 574 Cb -0.14 -0.42 0.08 0.00 0.01 0.00 0.00 42.46 41.98 1vag s ILE 574 CO -0.06 0.21 0.71 0.61 0.00 0.00 0.00 174.94 176.41 1vag n GLY 575 N 4.58 -0.37 3.32 6.18 0.00 -1.26 -0.41 105.19 117.23 1vag n GLY 575 Ca -0.17 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1vag n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vag n GLY 576 N -1.68 2.51 3.81 -0.02 0.00 -1.26 -3.68 105.19 104.87 1vag n GLY 576 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 1vag n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vag s LEU 577 N 0.00 4.41 -0.22 0.99 1.43 0.45 -4.94 118.68 120.80 1vag s LEU 577 Ca 0.00 1.45 -0.00 0.00 -1.03 0.00 0.00 54.13 54.55 1vag s LEU 577 Cb 0.00 -3.46 0.02 0.00 0.03 0.00 0.00 46.19 42.78 1vag s LEU 577 CO 0.00 0.09 -0.12 -1.61 0.23 0.00 0.00 176.35 174.94 1vag s GLU 578 N -1.73 2.93 -0.72 1.70 2.02 -1.26 -1.77 118.70 119.86 1vag s GLU 578 Ca 0.40 -0.90 -0.11 0.00 0.02 0.00 0.00 54.97 54.38 1vag s GLU 578 Cb -0.18 -2.81 0.19 0.00 0.10 0.00 0.00 34.13 31.43 1vag s GLU 578 CO 0.22 -0.31 0.63 -0.06 0.02 0.00 0.00 175.26 175.76 1vag s PHE 579 N 1.31 3.60 -0.97 1.61 0.40 0.11 -0.47 117.98 123.57 1vag s PHE 579 Ca 0.02 -2.07 0.12 0.00 -0.60 0.00 0.00 56.93 54.40 1vag s PHE 579 Cb -0.15 -3.65 0.50 0.00 0.51 0.00 0.00 43.02 40.23 1vag s PHE 579 CO -0.08 -0.96 1.37 -1.13 0.70 0.00 0.00 175.22 175.12 1vag n SER 580 N 4.07 0.04 -3.65 1.36 3.41 -1.26 -1.47 113.62 116.12 1vag n SER 580 Ca 0.08 0.51 -0.29 0.00 -0.26 0.00 0.00 58.87 58.91 1vag n SER 580 Cb 0.44 -0.52 -0.15 0.00 -0.26 0.00 0.00 64.21 63.72 1vag n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vag s ALA 581 N -3.02 1.06 -0.40 7.33 0.00 -1.23 -4.61 121.76 120.90 1vag s ALA 581 Ca 0.05 -1.29 0.10 0.00 0.00 0.00 0.00 51.96 50.82 1vag s ALA 581 Cb 0.07 -1.47 0.35 0.00 0.00 0.00 0.00 23.12 22.08 1vag s ALA 581 CO 0.21 -1.60 0.93 0.00 0.00 0.00 0.00 175.76 175.30 1vag n PRO 583 N 0.21 1.63 -4.16 0.00 -0.04 -1.18 -4.61 135.00 126.85 1vag n PRO 583 Ca 0.15 0.59 -0.17 0.00 -0.04 0.00 0.00 63.50 64.03 1vag n PRO 583 Cb 0.70 -2.25 -0.12 0.00 -0.04 0.00 0.00 33.50 31.79 1vag n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1vag s PHE 584 N 0.45 1.13 0.07 0.54 -0.12 -0.26 -1.36 117.98 118.43 1vag s PHE 584 Ca 0.78 -0.51 -0.08 0.00 -0.05 0.00 0.00 56.93 57.07 1vag s PHE 584 Cb -0.80 -0.63 -0.00 0.00 -0.63 0.00 0.00 43.02 40.96 1vag s PHE 584 CO 0.45 0.04 0.16 -1.54 -0.05 0.00 0.00 175.22 174.28 1vag s SER 585 N -1.92 0.13 0.00 1.98 1.04 0.58 -0.83 113.70 114.68 1vag s SER 585 Ca -0.01 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.84 1vag s SER 585 Cb -0.08 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1vag s SER 585 CO 0.02 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1vag n GLY 586 N 0.27 3.62 3.25 7.32 0.00 -1.21 -1.41 105.19 117.03 1vag n GLY 586 Ca -0.17 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 1vag n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1vag s TRP 587 N 2.65 0.42 0.48 1.61 -2.14 -1.26 -4.56 118.94 116.14 1vag s TRP 587 Ca 0.00 -0.82 -0.19 0.00 2.66 0.00 0.00 56.10 57.75 1vag s TRP 587 Cb 0.00 -0.15 -0.09 0.00 -3.10 0.00 0.00 33.47 30.13 1vag s TRP 587 CO 0.00 -0.62 1.00 0.71 -2.66 0.00 0.00 176.95 175.38 1vag s TYR 588 N -3.95 3.20 -0.16 1.66 2.02 -1.26 -4.92 117.35 113.95 1vag s TYR 588 Ca 0.14 1.56 -0.05 0.00 -0.37 0.00 0.00 57.07 58.35 1vag s TYR 588 Cb 0.05 -2.92 -0.04 0.00 -0.40 0.00 0.00 41.96 38.65 1vag s TYR 588 CO -0.03 -0.49 0.03 1.41 -1.57 0.00 0.00 175.55 174.90 1vag s MET 589 N -3.46 3.72 0.33 -0.62 -2.45 -1.26 -1.89 119.30 113.67 1vag s MET 589 Ca 0.63 -0.40 0.11 0.00 -1.25 0.00 0.00 55.69 54.78 1vag s MET 589 Cb -0.12 -3.06 1.01 0.00 1.25 0.00 0.00 34.83 33.91 1vag s MET 589 CO 0.21 0.35 1.61 0.78 1.05 0.00 0.00 175.02 179.02 1vag h GLY 590 N 6.39 1.76 2.00 2.11 0.00 -1.33 -1.66 103.07 112.34 1vag h GLY 590 Ca -0.38 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 1vag h GLY 590 CO 0.65 -0.58 -0.11 -0.91 0.00 0.00 0.00 176.54 175.60 1vag h THR 591 N 0.10 0.69 -0.74 4.70 1.35 -1.94 -1.74 112.91 115.33 1vag h THR 591 Ca 0.70 -0.44 0.05 0.00 -0.55 0.00 0.00 66.41 66.17 1vag h THR 591 Cb 1.63 1.27 -0.04 0.00 -1.73 0.00 0.00 68.15 69.27 1vag h THR 591 CO -0.76 0.11 0.48 -0.33 -0.25 0.00 0.00 175.52 174.77 1vag h GLU 592 N 0.00 0.80 0.00 4.72 5.08 -1.71 -0.21 114.58 123.26 1vag h GLU 592 Ca -0.00 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1vag h GLU 592 Cb 0.26 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1vag h GLU 592 CO 0.01 0.53 -0.91 -0.89 -1.00 0.00 0.00 179.01 176.75 1vag n ILE 593 N -4.47 1.46 -0.28 3.13 5.41 -1.04 -1.37 119.36 122.20 1vag n ILE 593 Ca 0.10 0.11 -0.03 0.00 1.00 0.00 0.00 62.75 63.93 1vag n ILE 593 Cb 0.18 -2.28 0.13 0.00 -0.71 0.00 0.00 39.64 36.96 1vag n ILE 593 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1vag h GLY 594 N -1.00 1.23 0.00 7.39 0.00 -1.38 0.13 103.07 109.45 1vag h GLY 594 Ca -0.12 -0.57 -0.16 0.00 0.00 0.00 0.00 47.33 46.49 1vag h GLY 594 CO -0.07 0.54 -1.22 -0.62 0.00 0.00 0.00 176.54 175.17 1vag n VAL 595 N -4.33 1.49 -0.04 4.60 0.31 -0.16 -3.87 118.33 116.32 1vag n VAL 595 Ca 0.08 0.01 -0.04 0.00 -0.01 0.00 0.00 64.34 64.39 1vag n VAL 595 Cb 0.11 -2.18 -0.03 0.00 -0.91 0.00 0.00 33.84 30.82 1vag n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1vag h ARG 596 N -1.00 -0.03 -0.93 5.55 2.47 -1.47 -2.31 114.38 116.65 1vag h ARG 596 Ca -0.24 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.47 1vag h ARG 596 Cb 1.05 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.33 1vag h ARG 596 CO -0.15 0.20 0.54 -0.44 0.56 0.00 0.00 179.97 180.68 1vag h ASP 597 N -1.00 1.14 0.22 7.04 3.32 -1.04 -1.87 116.42 124.23 1vag h ASP 597 Ca -0.00 -0.08 -0.35 0.00 0.02 0.00 0.00 57.03 56.62 1vag h ASP 597 Cb 0.24 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 1vag h ASP 597 CO 0.01 0.89 -1.98 -1.22 -1.72 0.00 0.00 179.24 175.22 1vag n TYR 598 N -4.34 0.98 0.77 4.55 0.53 0.45 -2.50 117.16 117.60 1vag n TYR 598 Ca 0.10 0.25 0.08 0.00 -1.02 0.00 0.00 57.90 57.32 1vag n TYR 598 Cb 0.07 -1.15 -0.06 0.00 -1.03 0.00 0.00 39.34 37.18 1vag n TYR 598 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1vag s ASP 600 N -2.32 6.40 0.37 0.00 1.11 -0.70 -4.60 116.67 116.94 1vag s ASP 600 Ca 0.10 2.94 0.07 0.00 0.18 0.00 0.00 52.55 55.84 1vag s ASP 600 Cb 0.13 -2.64 0.79 0.00 1.07 0.00 0.00 42.92 42.26 1vag s ASP 600 CO 0.57 -0.87 1.96 0.78 1.18 0.00 0.00 175.17 178.79 1vag h ASN 601 N 4.39 0.62 -0.45 0.27 4.21 -1.92 -1.36 115.58 121.34 1vag h ASN 601 Ca -0.48 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.04 1vag h ASN 601 Cb 1.22 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 38.30 1vag h ASN 601 CO 0.75 0.40 0.00 -1.20 -1.29 0.00 0.00 177.43 176.09 1vag n SER 602 N -4.48 3.78 0.00 5.81 7.64 -1.26 -4.57 113.62 120.53 1vag n SER 602 Ca 0.10 -2.42 0.00 0.00 1.01 0.00 0.00 58.87 57.57 1vag n SER 602 Cb 0.25 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1vag n SER 602 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1vag n ARG 603 N 0.65 2.87 0.28 1.43 5.12 -0.56 -4.24 116.66 122.22 1vag n ARG 603 Ca 0.19 0.00 0.15 0.00 -1.93 0.00 0.00 57.85 56.25 1vag n ARG 603 Cb 0.74 0.00 0.84 0.00 -1.16 0.00 0.00 32.46 32.88 1vag n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1vag h TYR 604 N 0.00 0.00 -6.78 -1.55 -1.99 -1.63 -3.43 116.97 101.60 1vag h TYR 604 Ca 0.00 0.00 -0.54 0.00 2.00 0.00 0.00 58.73 60.19 1vag h TYR 604 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1vag h TYR 604 CO 0.00 0.06 -1.00 -1.71 -0.00 0.00 0.00 178.16 175.51 1vag n ASN 605 N -3.65 -4.54 -0.97 3.88 5.15 -0.56 -4.90 115.26 109.67 1vag n ASN 605 Ca -0.02 -1.17 0.10 0.00 -0.60 0.00 0.00 54.58 52.89 1vag n ASN 605 Cb 0.17 -1.96 0.26 0.00 -0.53 0.00 0.00 39.78 37.72 1vag n ASN 605 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1vag n ILE 606 N -4.32 0.61 -0.24 -1.44 -5.35 0.25 -4.62 119.36 104.25 1vag n ILE 606 Ca -0.15 -0.68 -0.01 0.00 -0.27 0.00 0.00 62.75 61.64 1vag n ILE 606 Cb 0.60 0.48 0.11 0.00 -1.74 0.00 0.00 39.64 39.09 1vag n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1vag h LEU 607 N 3.30 0.55 0.43 7.28 3.38 -1.88 -2.81 115.31 125.57 1vag h LEU 607 Ca 0.00 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1vag h LEU 607 Cb 0.75 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1vag h LEU 607 CO 0.00 0.35 -0.26 -0.33 0.09 0.00 0.00 178.44 178.28 1vag h GLU 608 N 0.69 -0.63 -0.91 1.13 5.08 -1.98 0.21 114.58 118.17 1vag h GLU 608 Ca 0.32 0.04 0.14 0.00 -1.00 0.00 0.00 59.36 58.86 1vag h GLU 608 Cb 0.23 0.14 -0.15 0.00 0.50 0.00 0.00 28.75 29.47 1vag h GLU 608 CO -0.20 -0.42 -0.37 1.49 -1.00 0.00 0.00 179.01 178.51 1vag h GLU 609 N -0.65 -0.03 -0.19 2.33 4.81 -1.90 0.76 114.58 119.71 1vag h GLU 609 Ca -0.06 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1vag h GLU 609 Cb 0.52 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1vag h GLU 609 CO 0.06 -0.02 0.10 0.28 -0.73 0.00 0.00 179.01 178.69 1vag h VAL 610 N -0.04 1.00 -0.99 0.32 2.07 -1.48 -1.33 116.25 115.81 1vag h VAL 610 Ca 0.33 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.82 1vag h VAL 610 Cb 0.59 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 1vag h VAL 610 CO -0.92 0.04 0.65 0.00 0.02 0.00 0.00 177.57 177.35 1vag h ALA 611 N 1.09 1.38 0.30 1.67 0.00 0.17 -1.48 119.26 122.40 1vag h ALA 611 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1vag h ALA 611 Cb 0.01 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1vag h ALA 611 CO -0.05 0.51 -0.15 0.87 0.00 0.00 0.00 179.25 180.43 1vag h LYS 612 N 1.22 -0.39 -0.31 0.00 1.57 0.77 -1.58 116.57 117.84 1vag h LYS 612 Ca 0.41 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 59.30 1vag h LYS 612 Cb 0.06 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1vag h LYS 612 CO -0.14 -0.14 0.26 0.87 -0.57 0.00 0.00 179.45 179.73 1vag h LYS 613 N -0.59 0.00 -0.01 3.15 1.79 -0.91 0.68 116.57 120.68 1vag h LYS 613 Ca -0.04 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1vag h LYS 613 Cb 0.43 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.08 1vag h LYS 613 CO 0.07 0.00 -0.03 -1.33 -1.08 0.00 0.00 179.45 177.08 1vag n MET 614 N -4.15 1.08 -3.77 3.15 2.81 -0.59 -4.92 117.12 110.74 1vag n MET 614 Ca 0.05 -0.34 -0.27 0.00 -1.81 0.00 0.00 57.70 55.33 1vag n MET 614 Cb 0.42 -1.49 0.05 0.00 -0.71 0.00 0.00 33.22 31.49 1vag n MET 614 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1vag n ASP 615 N -0.66 -4.95 -4.87 7.83 8.00 0.24 -4.97 116.55 117.16 1vag n ASP 615 Ca 0.20 -0.69 -0.31 0.00 0.71 0.00 0.00 54.79 54.70 1vag n ASP 615 Cb 0.23 -4.36 0.01 0.00 -0.02 0.00 0.00 41.12 36.98 1vag n ASP 615 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1vag s LEU 616 N -7.21 3.25 -1.19 0.64 1.43 -0.64 -4.98 118.68 109.99 1vag s LEU 616 Ca 0.55 1.40 -0.18 0.00 -1.03 0.00 0.00 54.13 54.88 1vag s LEU 616 Cb -0.27 -4.45 0.10 0.00 0.03 0.00 0.00 46.19 41.61 1vag s LEU 616 CO 0.79 -0.85 1.54 -0.62 0.23 0.00 0.00 176.35 177.44 1vag s ASP 617 N -4.16 6.83 -0.11 2.29 2.15 -1.26 -4.82 116.67 117.58 1vag s ASP 617 Ca 0.55 -2.39 0.04 0.00 0.43 0.00 0.00 52.55 51.17 1vag s ASP 617 Cb -0.11 -2.51 0.27 0.00 -0.30 0.00 0.00 42.92 40.27 1vag s ASP 617 CO 0.53 -1.10 1.07 0.23 -0.17 0.00 0.00 175.17 175.74 1vag n MET 618 N 7.52 2.02 0.10 4.34 2.81 -1.26 -4.02 117.12 128.62 1vag n MET 618 Ca 0.40 -1.07 0.12 0.00 -1.81 0.00 0.00 57.70 55.34 1vag n MET 618 Cb 0.46 -1.64 0.19 0.00 -0.71 0.00 0.00 33.22 31.52 1vag n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vag h ARG 619 N 1.01 0.00 -2.87 0.03 3.08 -2.04 -3.46 114.38 110.14 1vag h ARG 619 Ca 0.08 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.00 1vag h ARG 619 Cb 1.25 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 31.05 1vag h ARG 619 CO 0.25 0.00 -0.30 0.21 -1.07 0.00 0.00 179.97 179.06 1vag s LYS 620 N -3.19 0.42 0.52 0.04 2.20 -1.26 -5.03 119.74 113.44 1vag s LYS 620 Ca 0.06 0.50 0.29 0.00 -0.36 0.00 0.00 55.97 56.47 1vag s LYS 620 Cb 0.11 0.20 1.42 0.00 -1.51 0.00 0.00 37.83 38.06 1vag s LYS 620 CO 0.70 -0.05 2.04 1.79 -0.36 0.00 0.00 175.35 179.47 1vag h THR 621 N 4.60 0.42 0.00 3.43 1.35 -1.90 -2.62 112.91 118.19 1vag h THR 621 Ca -0.27 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1vag h THR 621 Cb 1.18 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1vag h THR 621 CO 0.28 0.11 0.00 -1.20 -0.25 0.00 0.00 175.52 174.46 1vag n SER 622 N -3.45 0.62 0.10 5.36 7.64 -1.26 -0.99 113.62 121.64 1vag n SER 622 Ca -0.01 0.74 0.13 0.00 1.01 0.00 0.00 58.87 60.74 1vag n SER 622 Cb 0.27 -0.84 0.44 0.00 -1.01 0.00 0.00 64.21 63.07 1vag n SER 622 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1vag n SER 623 N -2.29 0.71 -3.60 6.43 3.41 -0.99 -4.92 113.62 112.37 1vag n SER 623 Ca -0.00 0.59 -0.25 0.00 -0.26 0.00 0.00 58.87 58.94 1vag n SER 623 Cb 0.10 -0.77 0.06 0.00 -0.26 0.00 0.00 64.21 63.34 1vag n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1vag n LEU 624 N -2.18 -3.13 0.14 1.04 4.77 -0.16 -4.90 117.00 112.58 1vag n LEU 624 Ca 0.05 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1vag n LEU 624 Cb 0.38 -2.92 0.29 0.00 -2.33 0.00 0.00 43.42 38.84 1vag n LEU 624 CO 0.28 0.57 0.68 4.11 -1.33 0.00 0.00 177.39 181.70 1vag h TRP 625 N -2.43 0.11 -0.33 -1.77 5.08 -1.85 -1.62 115.95 113.14 1vag h TRP 625 Ca -0.57 -0.03 -0.10 0.00 1.08 0.00 0.00 58.89 59.28 1vag h TRP 625 Cb 1.37 -0.03 -0.01 0.00 -3.00 0.00 0.00 29.16 27.50 1vag h TRP 625 CO 0.52 0.49 -0.17 0.87 -1.28 0.00 0.00 178.44 178.87 1vag h LYS 626 N 0.08 0.69 -0.59 0.12 1.57 -1.90 -1.88 116.57 114.67 1vag h LYS 626 Ca 0.01 -0.31 -0.06 0.00 -1.87 0.00 0.00 60.65 58.42 1vag h LYS 626 Cb 0.75 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1vag h LYS 626 CO 0.06 0.91 0.13 -0.44 -0.57 0.00 0.00 179.45 179.54 1vag h ASP 627 N 0.46 0.90 -0.42 0.86 3.32 -1.91 -0.76 116.42 118.87 1vag h ASP 627 Ca 0.07 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.83 1vag h ASP 627 Cb 0.70 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 1vag h ASP 627 CO 0.05 0.90 0.06 -0.61 -1.72 0.00 0.00 179.24 177.92 1vag h GLN 628 N 0.85 0.70 -0.16 3.56 4.15 -1.25 -1.95 115.11 121.02 1vag h GLN 628 Ca 0.18 -0.19 -0.12 0.00 0.77 0.00 0.00 58.65 59.29 1vag h GLN 628 Cb 0.36 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 1vag h GLN 628 CO 0.00 0.75 -0.42 0.00 -1.93 0.00 0.00 178.83 177.23 1vag h ALA 629 N 0.93 0.99 -0.77 3.38 0.00 -1.27 -2.98 119.26 119.54 1vag h ALA 629 Ca 0.13 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1vag h ALA 629 Cb 0.39 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1vag h ALA 629 CO 0.01 0.62 0.35 1.25 0.00 0.00 0.00 179.25 181.48 1vag h LEU 630 N 0.30 1.02 -0.50 0.00 5.85 -0.78 -1.94 115.31 119.26 1vag h LEU 630 Ca 0.03 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.52 1vag h LEU 630 Cb 0.87 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1vag h LEU 630 CO 0.07 0.88 -0.02 0.58 -0.34 0.00 0.00 178.44 179.61 1vag h VAL 631 N 1.09 1.26 -0.62 1.05 2.07 -1.23 -2.65 116.25 117.23 1vag h VAL 631 Ca 0.26 -1.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.61 1vag h VAL 631 Cb 0.14 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1vag h VAL 631 CO -0.03 0.39 0.17 -0.33 0.02 0.00 0.00 177.57 177.80 1vag h GLU 632 N 0.76 0.98 -0.88 1.57 4.39 -1.37 -1.23 114.58 118.79 1vag h GLU 632 Ca 0.14 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1vag h GLU 632 Cb 0.55 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.02 1vag h GLU 632 CO 0.03 0.88 0.52 0.82 -1.16 0.00 0.00 179.01 180.10 1vag h ILE 633 N 0.90 1.25 0.00 3.13 2.04 -1.33 -0.39 117.51 123.10 1vag h ILE 633 Ca 0.20 -0.55 -0.04 0.00 1.00 0.00 0.00 64.86 65.46 1vag h ILE 633 Cb 0.32 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1vag h ILE 633 CO -0.00 0.26 -0.19 0.78 0.00 0.00 0.00 178.15 179.00 1vag h ASN 634 N 1.22 0.00 0.21 1.72 4.21 -1.14 -2.21 115.58 119.59 1vag h ASN 634 Ca 0.32 0.00 -0.23 0.00 1.21 0.00 0.00 56.30 57.60 1vag h ASN 634 Cb -0.03 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.17 1vag h ASN 634 CO -0.06 0.19 -0.92 0.40 -1.29 0.00 0.00 177.43 175.75 1vag h ILE 635 N 0.00 1.36 -0.27 2.81 2.04 -0.55 -2.87 117.51 120.03 1vag h ILE 635 Ca -0.00 -2.32 -0.02 0.00 1.00 0.00 0.00 64.86 63.52 1vag h ILE 635 Cb 1.01 2.32 -0.01 0.00 -0.74 0.00 0.00 36.82 39.40 1vag h ILE 635 CO 0.02 0.70 0.08 0.00 0.00 0.00 0.00 178.15 178.95 1vag h ALA 636 N 0.68 0.36 0.18 1.87 0.00 -0.92 -1.17 119.26 120.26 1vag h ALA 636 Ca -0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1vag h ALA 636 Cb 1.55 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1vag h ALA 636 CO 0.17 0.00 -0.12 0.28 0.00 0.00 0.00 179.25 179.58 1vag h VAL 637 N 0.28 0.73 -0.12 0.00 2.07 -1.43 0.56 116.25 118.34 1vag h VAL 637 Ca 0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 1vag h VAL 637 Cb 0.26 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1vag h VAL 637 CO -0.00 0.00 0.07 -0.07 0.02 0.00 0.00 177.57 177.59 1vag h LEU 638 N -0.30 0.15 -0.76 2.57 3.38 -1.49 -1.94 115.31 116.91 1vag h LEU 638 Ca -0.01 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 57.96 1vag h LEU 638 Cb 0.26 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 1vag h LEU 638 CO 0.01 0.18 0.44 0.22 0.09 0.00 0.00 178.44 179.38 1vag h TYR 639 N 0.11 0.80 0.57 1.13 3.20 -1.10 -0.87 116.97 120.81 1vag h TYR 639 Ca 0.04 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1vag h TYR 639 Cb 0.06 -0.25 0.01 0.00 1.54 0.00 0.00 36.73 38.09 1vag h TYR 639 CO -0.05 0.37 -0.27 0.77 -1.64 0.00 0.00 178.16 177.34 1vag h SER 640 N 0.78 -0.65 -0.71 -2.11 0.02 -0.61 0.13 113.55 110.41 1vag h SER 640 Ca 0.35 -0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.33 1vag h SER 640 Cb 0.25 0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.89 1vag h SER 640 CO -0.21 -0.34 0.39 -0.26 -1.14 0.00 0.00 176.83 175.28 1vag h PHE 641 N -0.95 0.72 -0.52 3.45 -1.00 -1.29 -0.01 116.94 117.34 1vag h PHE 641 Ca -0.08 0.03 -0.07 0.00 2.81 0.00 0.00 57.97 60.66 1vag h PHE 641 Cb 0.65 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.96 1vag h PHE 641 CO -0.00 0.33 0.06 1.96 -1.61 0.00 0.00 178.31 179.04 1vag h GLN 642 N 0.71 0.84 -0.31 1.51 4.20 -1.11 0.15 115.11 121.10 1vag h GLN 642 Ca 0.33 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 1vag h GLN 642 Cb 0.24 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1vag h GLN 642 CO -0.21 0.80 0.08 0.77 -0.67 0.00 0.00 178.83 179.61 1vag h SER 643 N 0.80 0.47 0.18 1.46 0.02 0.48 -2.06 113.55 114.90 1vag h SER 643 Ca 0.16 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1vag h SER 643 Cb 0.39 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1vag h SER 643 CO 0.01 0.57 0.00 0.47 -1.14 0.00 0.00 176.83 176.74 1vag n ASP 644 N -4.66 0.00 -2.73 3.07 10.43 -0.14 -4.88 116.55 117.64 1vag n ASP 644 Ca -0.02 -0.57 -0.19 0.00 2.57 0.00 0.00 54.79 56.58 1vag n ASP 644 Cb 0.18 -0.11 0.04 0.00 1.84 0.00 0.00 41.12 43.07 1vag n ASP 644 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1vag n LYS 645 N -1.11 -4.83 -3.71 -1.24 5.02 -0.14 -5.00 118.16 107.15 1vag n LYS 645 Ca 0.17 0.76 -0.35 0.00 -2.02 0.00 0.00 58.31 56.87 1vag n LYS 645 Cb 0.14 -5.37 -0.08 0.00 -0.02 0.00 0.00 35.03 29.70 1vag n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1vag s VAL 646 N -3.13 5.40 0.23 -0.18 1.01 0.36 -4.47 120.40 119.61 1vag s VAL 646 Ca 0.32 0.24 -0.31 0.00 0.00 0.00 0.00 61.98 62.23 1vag s VAL 646 Cb -0.14 -3.49 -0.14 0.00 0.00 0.00 0.00 36.38 32.61 1vag s VAL 646 CO 0.39 0.45 1.32 0.41 0.00 0.00 0.00 175.10 177.67 1vag n THR 647 N 3.41 1.05 -3.53 3.92 -1.04 0.07 -4.31 114.28 113.85 1vag n THR 647 Ca -0.16 -0.26 -0.10 0.00 -2.04 0.00 0.00 64.05 61.49 1vag n THR 647 Cb 0.52 -1.29 -0.03 0.00 -1.82 0.00 0.00 70.33 67.70 1vag n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1vag s ILE 648 N -0.20 0.00 0.00 12.58 2.07 -1.26 -4.45 121.20 129.93 1vag s ILE 648 Ca 0.68 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.94 1vag s ILE 648 Cb -0.70 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 40.88 1vag s ILE 648 CO 0.51 0.00 -0.06 0.54 -1.91 0.00 0.00 174.94 174.02 1vag s VAL 649 N -2.26 0.47 0.42 4.00 0.11 -0.79 -5.01 120.40 117.33 1vag s VAL 649 Ca 0.01 -0.34 -0.10 0.00 -2.93 0.00 0.00 61.98 58.63 1vag s VAL 649 Cb -0.01 -0.41 -0.06 0.00 -1.53 0.00 0.00 36.38 34.37 1vag s VAL 649 CO -0.04 0.08 0.77 1.51 -3.33 0.00 0.00 175.10 174.09 1vag s ASP 650 N -0.29 6.48 0.57 3.54 -4.77 -1.26 -0.85 116.67 120.10 1vag s ASP 650 Ca 0.01 1.11 0.28 0.00 -3.30 0.00 0.00 52.55 50.64 1vag s ASP 650 Cb -0.03 -2.31 1.52 0.00 -1.09 0.00 0.00 42.92 41.01 1vag s ASP 650 CO -0.00 -0.43 2.01 1.12 0.70 0.00 0.00 175.17 178.57 1vag h HIS 651 N 1.11 0.00 0.05 2.11 2.07 -1.97 0.16 115.15 118.68 1vag h HIS 651 Ca -0.47 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.05 1vag h HIS 651 Cb 1.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.17 1vag h HIS 651 CO 0.60 0.00 -0.02 0.45 -3.07 0.00 0.00 177.93 175.89 1vag h HIS 652 N 0.00 -0.06 -0.41 6.12 3.86 -1.97 -1.87 115.15 120.82 1vag h HIS 652 Ca 0.17 -0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.27 1vag h HIS 652 Cb 0.83 0.02 -0.01 0.00 1.06 0.00 0.00 27.41 29.31 1vag h HIS 652 CO 0.00 0.42 -0.17 1.03 0.86 0.00 0.00 177.93 180.07 1vag h SER 653 N -0.58 0.85 -0.54 2.45 0.87 -1.80 -2.66 113.55 112.14 1vag h SER 653 Ca -0.01 -0.39 -0.01 0.00 -1.23 0.00 0.00 61.79 60.15 1vag h SER 653 Cb 0.51 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 1vag h SER 653 CO 0.01 1.05 0.30 0.00 -0.53 0.00 0.00 176.83 177.67 1vag h ALA 654 N 0.82 0.69 -0.05 6.23 0.00 -1.05 -1.96 119.26 123.94 1vag h ALA 654 Ca 0.09 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1vag h ALA 654 Cb 0.72 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1vag h ALA 654 CO 0.05 0.20 -0.60 1.79 0.00 0.00 0.00 179.25 180.69 1vag h THR 655 N 0.72 1.40 -0.38 0.00 1.35 -1.35 -2.25 112.91 112.39 1vag h THR 655 Ca 0.19 -1.99 -0.14 0.00 -0.55 0.00 0.00 66.41 63.91 1vag h THR 655 Cb 0.04 2.03 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 1vag h THR 655 CO -0.03 0.58 -0.33 -0.08 -0.25 0.00 0.00 175.52 175.41 1vag h GLU 656 N 0.13 0.87 0.00 4.72 4.57 -1.27 -2.19 114.58 121.40 1vag h GLU 656 Ca -0.01 -0.42 -0.09 0.00 -1.18 0.00 0.00 59.36 57.67 1vag h GLU 656 Cb 1.09 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 1vag h GLU 656 CO 0.09 1.06 -0.43 0.66 -1.18 0.00 0.00 179.01 179.21 1vag h SER 657 N 0.72 0.00 -0.02 1.04 4.64 -1.28 -2.34 113.55 116.32 1vag h SER 657 Ca 0.07 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.28 1vag h SER 657 Cb 0.89 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 1vag h SER 657 CO 0.08 0.43 -0.32 0.15 -0.87 0.00 0.00 176.83 176.31 1vag h PHE 658 N 0.00 0.55 -0.51 4.77 3.57 -1.07 0.12 116.94 124.37 1vag h PHE 658 Ca -0.00 -0.13 -0.05 0.00 3.53 0.00 0.00 57.97 61.32 1vag h PHE 658 Cb 0.84 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 1vag h PHE 658 CO 0.00 0.75 0.14 0.82 -2.23 0.00 0.00 178.31 177.79 1vag h ILE 659 N 0.41 1.24 -0.65 1.41 1.08 -0.98 0.51 117.51 120.53 1vag h ILE 659 Ca 0.05 -0.82 -0.00 0.00 -0.39 0.00 0.00 64.86 63.70 1vag h ILE 659 Cb 0.76 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 35.27 1vag h ILE 659 CO 0.06 0.30 0.39 0.50 -0.69 0.00 0.00 178.15 178.71 1vag h LYS 660 N 0.71 0.88 -0.32 2.37 3.64 -0.94 -1.10 116.57 121.80 1vag h LYS 660 Ca 0.16 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1vag h LYS 660 Cb 0.31 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1vag h LYS 660 CO -0.00 0.63 0.20 1.25 -2.27 0.00 0.00 179.45 179.25 1vag h HIS 661 N 0.88 0.37 -0.51 1.91 2.76 -0.29 -0.96 115.15 119.31 1vag h HIS 661 Ca 0.23 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.46 1vag h HIS 661 Cb -0.03 -0.12 -0.04 0.00 1.55 0.00 0.00 27.41 28.77 1vag h HIS 661 CO -0.02 0.23 0.26 0.52 -1.30 0.00 0.00 177.93 177.62 1vag h MET 662 N 0.41 0.48 -0.66 5.26 2.86 -0.41 0.22 114.93 123.09 1vag h MET 662 Ca 0.12 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1vag h MET 662 Cb -0.02 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 1vag h MET 662 CO -0.05 0.32 0.25 0.93 1.06 0.00 0.00 176.91 179.42 1vag h GLU 663 N 0.50 0.98 -0.21 1.72 5.08 -0.90 -1.15 114.58 120.59 1vag h GLU 663 Ca 0.23 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1vag h GLU 663 Cb 0.14 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1vag h GLU 663 CO -0.16 0.81 0.06 -0.91 -1.00 0.00 0.00 179.01 177.81 1vag h ASN 664 N 0.96 0.30 0.25 1.42 -0.26 -0.21 -2.57 115.58 115.47 1vag h ASN 664 Ca 0.22 -0.21 -0.06 0.00 -0.56 0.00 0.00 56.30 55.70 1vag h ASN 664 Cb 0.21 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.38 1vag h ASN 664 CO -0.02 0.43 -0.27 -0.33 -1.06 0.00 0.00 177.43 176.19 1vag h GLU 665 N 0.16 0.03 -0.03 0.81 4.39 -0.22 -1.14 114.58 118.59 1vag h GLU 665 Ca 0.07 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.56 1vag h GLU 665 Cb 0.24 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1vag h GLU 665 CO -0.00 0.30 -0.81 1.88 -1.16 0.00 0.00 179.01 179.21 1vag h TYR 666 N 0.03 0.46 -0.09 4.33 0.05 -1.14 0.93 116.97 121.54 1vag h TYR 666 Ca 0.00 -0.23 -0.05 0.00 0.05 0.00 0.00 58.73 58.50 1vag h TYR 666 Cb 0.49 -0.06 -0.00 0.00 1.01 0.00 0.00 36.73 38.17 1vag h TYR 666 CO 0.00 1.01 -0.15 -0.09 -1.05 0.00 0.00 178.16 177.88 1vag h ARG 667 N 0.20 0.27 0.00 4.88 9.65 -1.03 -2.87 114.38 125.48 1vag h ARG 667 Ca -0.04 -0.16 -0.02 0.00 -1.10 0.00 0.00 59.98 58.65 1vag h ARG 667 Cb 1.41 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 30.01 1vag h ARG 667 CO 0.13 0.74 -1.81 0.00 2.80 0.00 0.00 179.97 181.83 1vag n ARG 669 N -2.38 5.67 -0.80 0.00 0.63 0.25 -5.00 116.66 115.02 1vag n ARG 669 Ca -0.05 -0.08 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 1vag n ARG 669 Cb 0.60 -0.59 0.00 0.00 0.45 0.00 0.00 32.46 32.92 1vag n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1vag n GLY 670 N 0.85 0.55 0.00 5.14 0.00 -0.77 -4.54 105.19 106.42 1vag n GLY 670 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1vag n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vag n GLY 671 N -2.80 1.35 3.04 -0.02 0.00 -0.89 -0.60 105.19 105.27 1vag n GLY 671 Ca 0.00 -1.45 -0.07 0.00 0.00 0.00 0.00 46.02 44.51 1vag n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vag s PRO 673 N 2.62 4.28 -0.05 0.00 0.04 -1.26 -4.57 135.00 136.06 1vag s PRO 673 Ca 0.11 2.15 -0.03 0.00 0.04 0.00 0.00 61.00 63.26 1vag s PRO 673 Cb -0.15 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.12 1vag s PRO 673 CO -0.16 -0.51 0.12 0.00 0.04 0.00 0.00 177.00 176.48 1vag s ALA 674 N 1.39 -0.26 -0.48 8.56 0.00 -0.37 -4.22 121.76 126.37 1vag s ALA 674 Ca 0.66 0.39 -0.12 0.00 0.00 0.00 0.00 51.96 52.90 1vag s ALA 674 Cb -0.38 -0.25 0.11 0.00 0.00 0.00 0.00 23.12 22.60 1vag s ALA 674 CO 0.30 -0.08 0.39 0.34 0.00 0.00 0.00 175.76 176.71 1vag s ASP 675 N 0.34 5.91 0.23 0.00 -1.08 0.56 -3.51 116.67 119.12 1vag s ASP 675 Ca -0.02 -1.72 -0.07 0.00 -0.52 0.00 0.00 52.55 50.21 1vag s ASP 675 Cb -0.04 -2.09 0.37 0.00 -1.46 0.00 0.00 42.92 39.70 1vag s ASP 675 CO -0.01 -0.71 1.72 -0.25 0.52 0.00 0.00 175.17 176.43 1vag h TRP 676 N 8.62 0.36 -0.77 -5.34 7.01 -1.87 -0.20 115.95 123.77 1vag h TRP 676 Ca -0.25 0.04 0.17 0.00 2.11 0.00 0.00 58.89 60.96 1vag h TRP 676 Cb 1.09 -0.06 -0.05 0.00 -2.10 0.00 0.00 29.16 28.04 1vag h TRP 676 CO 0.66 0.02 0.52 0.28 -2.79 0.00 0.00 178.44 177.14 1vag h VAL 677 N 0.36 0.73 0.01 2.65 2.07 -1.93 -2.27 116.25 117.87 1vag h VAL 677 Ca 0.36 -0.10 -0.36 0.00 0.82 0.00 0.00 66.70 67.42 1vag h VAL 677 Cb 0.53 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 1vag h VAL 677 CO -0.40 0.05 -2.23 0.79 0.02 0.00 0.00 177.57 175.81 1vag n TRP 678 N -4.45 0.31 0.01 1.57 7.02 -0.62 -4.46 117.44 116.81 1vag n TRP 678 Ca 0.15 0.10 -0.06 0.00 -1.02 0.00 0.00 57.50 56.67 1vag n TRP 678 Cb 0.63 -1.05 0.13 0.00 -2.42 0.00 0.00 31.31 28.60 1vag n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1vag h ILE 679 N 0.00 1.30 -3.13 -0.99 1.08 -0.79 -3.43 117.51 111.55 1vag h ILE 679 Ca -0.49 -1.53 -0.55 0.00 -0.39 0.00 0.00 64.86 61.90 1vag h ILE 679 Cb 2.13 1.55 -0.02 0.00 -3.07 0.00 0.00 36.82 37.41 1vag h ILE 679 CO 0.03 0.48 0.66 -0.69 -0.69 0.00 0.00 178.15 177.93 1vag s VAL 680 N -4.26 4.34 0.60 1.67 1.01 -0.88 -4.93 120.40 117.95 1vag s VAL 680 Ca -0.07 1.66 -0.18 0.00 0.00 0.00 0.00 61.98 63.38 1vag s VAL 680 Cb 0.13 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1vag s VAL 680 CO 0.81 0.01 0.90 -2.65 0.00 0.00 0.00 175.10 174.18 1vag n PRO 681 N 5.02 0.84 0.00 2.72 -0.02 -1.26 -4.90 135.00 137.39 1vag n PRO 681 Ca 0.10 0.33 0.06 0.00 -2.02 0.00 0.00 63.50 61.96 1vag n PRO 681 Cb 0.47 -2.10 0.33 0.00 -0.02 0.00 0.00 33.50 32.18 1vag n PRO 681 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1vag n PRO 682 N -0.89 0.56 -3.73 0.52 -0.04 -1.26 -4.36 135.00 125.79 1vag n PRO 682 Ca 0.13 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.46 1vag n PRO 682 Cb 0.47 -1.31 -0.09 0.00 -0.04 0.00 0.00 33.50 32.53 1vag n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vag s MET 683 N -2.00 0.65 -1.36 0.54 0.23 -1.26 -4.92 119.30 111.17 1vag s MET 683 Ca 0.17 0.04 -0.07 0.00 -1.03 0.00 0.00 55.69 54.80 1vag s MET 683 Cb 0.08 0.29 0.04 0.00 -1.53 0.00 0.00 34.83 33.71 1vag s MET 683 CO 0.13 -0.16 0.48 0.43 -2.03 0.00 0.00 175.02 173.87 1vag n SER 684 N 1.66 -4.59 -0.38 -1.18 7.64 -1.26 -4.90 113.62 110.61 1vag n SER 684 Ca -0.19 -0.30 -0.08 0.00 1.01 0.00 0.00 58.87 59.31 1vag n SER 684 Cb 0.56 -3.76 -0.05 0.00 -1.01 0.00 0.00 64.21 59.95 1vag n SER 684 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1vag h GLY 685 N -1.02 -0.53 2.00 0.23 0.00 -1.92 -1.87 103.07 99.96 1vag h GLY 685 Ca -0.45 0.69 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1vag h GLY 685 CO 0.53 -0.05 0.00 -1.14 0.00 0.00 0.00 176.54 175.87 1vag n SER 686 N -5.34 0.21 -0.37 0.19 3.41 -1.26 -2.12 113.62 108.35 1vag n SER 686 Ca 0.04 0.55 0.14 0.00 -0.26 0.00 0.00 58.87 59.34 1vag n SER 686 Cb 0.32 -0.60 0.48 0.00 -0.26 0.00 0.00 64.21 64.15 1vag n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1vag n ILE 687 N -1.74 0.00 -3.98 -1.33 -5.35 -0.71 -4.81 119.36 101.45 1vag n ILE 687 Ca 0.03 -0.19 -0.33 0.00 -0.27 0.00 0.00 62.75 61.99 1vag n ILE 687 Cb 0.19 0.42 -0.06 0.00 -1.74 0.00 0.00 39.64 38.45 1vag n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1vag s THR 688 N -2.21 5.12 0.48 7.28 -4.23 -0.90 -5.03 115.64 116.15 1vag s THR 688 Ca 0.33 -0.33 0.27 0.00 -1.18 0.00 0.00 61.69 60.78 1vag s THR 688 Cb 0.20 -3.40 0.31 0.00 1.34 0.00 0.00 72.50 70.95 1vag s THR 688 CO 0.41 0.29 2.13 1.55 -0.54 0.00 0.00 174.62 178.46 1vag h PRO 689 N 3.76 0.00 0.00 3.99 0.13 -1.87 -3.11 132.00 134.90 1vag h PRO 689 Ca -0.48 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 1vag h PRO 689 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1vag h PRO 689 CO 0.67 0.08 -0.26 -0.39 -0.23 0.00 0.00 178.00 177.88 1vag h VAL 690 N 0.00 0.73 -0.84 1.56 -1.51 -1.88 -3.03 116.25 111.28 1vag h VAL 690 Ca -0.00 -1.11 0.04 0.00 -1.23 0.00 0.00 66.70 64.40 1vag h VAL 690 Cb 0.21 1.70 -0.05 0.00 -2.13 0.00 0.00 31.29 31.02 1vag h VAL 690 CO 0.01 0.25 0.55 0.15 -1.23 0.00 0.00 177.57 177.30 1vag h PHE 691 N 0.00 0.99 -0.24 5.19 3.04 -1.73 -1.93 116.94 122.26 1vag h PHE 691 Ca -0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1vag h PHE 691 Cb 0.68 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 38.86 1vag h PHE 691 CO 0.00 0.56 0.00 0.72 -2.02 0.00 0.00 178.31 177.57 1vag n HIS 692 N -4.45 0.31 -3.66 0.41 -0.00 -1.14 -4.85 115.22 101.83 1vag n HIS 692 Ca 0.11 -0.15 -0.38 0.00 -0.00 0.00 0.00 57.72 57.30 1vag n HIS 692 Cb 0.13 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.00 1vag n HIS 692 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 1vag s GLN 693 N -1.69 3.77 0.38 -0.41 2.00 -0.73 -0.66 119.66 122.32 1vag s GLN 693 Ca 0.30 -0.42 -0.25 0.00 -2.00 0.00 0.00 55.36 52.99 1vag s GLN 693 Cb 0.16 -3.52 -0.09 0.00 0.80 0.00 0.00 33.01 30.36 1vag s GLN 693 CO 0.23 -0.21 1.10 -1.21 -0.50 0.00 0.00 175.29 174.70 1vag s GLU 694 N 1.69 4.19 -0.01 1.67 2.02 -0.77 -5.00 118.70 122.49 1vag s GLU 694 Ca 0.07 1.67 0.01 0.00 0.02 0.00 0.00 54.97 56.74 1vag s GLU 694 Cb -0.16 -2.68 0.01 0.00 0.10 0.00 0.00 34.13 31.40 1vag s GLU 694 CO 0.08 -0.16 -0.03 -1.64 0.02 0.00 0.00 175.26 173.52 1vag s MET 695 N -2.27 0.40 -0.21 1.61 -1.94 -1.26 -4.63 119.30 110.99 1vag s MET 695 Ca 0.56 -0.10 -0.11 0.00 -1.71 0.00 0.00 55.69 54.33 1vag s MET 695 Cb -0.27 -0.43 -0.05 0.00 2.01 0.00 0.00 34.83 36.09 1vag s MET 695 CO 0.33 0.02 0.17 -0.51 -0.01 0.00 0.00 175.02 175.03 1vag s LEU 696 N 0.28 4.18 -0.13 -0.03 1.43 -1.26 -4.82 118.68 118.33 1vag s LEU 696 Ca -0.03 0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.30 1vag s LEU 696 Cb -0.06 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 1vag s LEU 696 CO -0.00 0.12 -0.10 0.21 0.23 0.00 0.00 176.35 176.80 1vag s ASN 697 N 0.63 4.27 0.11 2.29 2.47 -1.23 -1.24 114.94 122.24 1vag s ASN 697 Ca 0.09 -0.25 -0.22 0.00 0.42 0.00 0.00 52.86 52.91 1vag s ASN 697 Cb -0.12 -1.59 0.06 0.00 -1.45 0.00 0.00 41.25 38.15 1vag s ASN 697 CO 0.01 0.19 0.54 -0.72 -3.72 0.00 0.00 177.10 173.40 1vag s TYR 698 N 0.22 -0.44 -0.25 0.43 -0.85 -1.26 -4.96 117.35 110.24 1vag s TYR 698 Ca -0.06 0.32 -0.16 0.00 -0.52 0.00 0.00 57.07 56.64 1vag s TYR 698 Cb -0.15 0.42 -0.03 0.00 0.38 0.00 0.00 41.96 42.58 1vag s TYR 698 CO 0.04 -0.74 0.43 1.03 -1.52 0.00 0.00 175.55 174.79 1vag s ARG 699 N -3.23 4.08 0.19 -3.49 0.52 -1.26 -4.82 118.95 110.95 1vag s ARG 699 Ca -0.01 0.19 0.11 0.00 -0.52 0.00 0.00 55.73 55.50 1vag s ARG 699 Cb -0.00 -3.62 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 1vag s ARG 699 CO -0.08 -0.23 -0.20 -0.51 0.02 0.00 0.00 175.30 174.30 1vag s LEU 700 N 1.92 2.60 0.13 2.53 1.43 -1.26 -4.10 118.68 121.93 1vag s LEU 700 Ca 0.18 -0.79 0.08 0.00 -1.03 0.00 0.00 54.13 52.57 1vag s LEU 700 Cb -0.15 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 1vag s LEU 700 CO 0.09 0.11 -0.19 0.28 0.23 0.00 0.00 176.35 176.88 1vag s THR 701 N -1.73 1.71 0.97 5.49 -1.32 -1.26 -4.44 115.64 115.06 1vag s THR 701 Ca 0.22 -1.74 -0.12 0.00 -1.21 0.00 0.00 61.69 58.84 1vag s THR 701 Cb -0.08 -1.68 0.10 0.00 -1.51 0.00 0.00 72.50 69.33 1vag s THR 701 CO 0.12 -0.23 0.70 -2.65 -2.21 0.00 0.00 174.62 170.34 1vag n PRO 702 N 0.63 -0.64 -3.80 7.08 -0.02 -1.26 -5.02 135.00 131.97 1vag n PRO 702 Ca -0.16 -0.14 -0.04 0.00 -2.02 0.00 0.00 63.50 61.14 1vag n PRO 702 Cb 0.56 -2.06 -0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1vag n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1vag s SER 703 N -2.26 -0.12 -0.19 2.55 1.04 -0.88 -3.93 113.70 109.91 1vag s SER 703 Ca 0.61 -0.55 -0.07 0.00 0.48 0.00 0.00 55.95 56.43 1vag s SER 703 Cb -0.21 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 1vag s SER 703 CO 0.64 -1.02 0.05 -0.36 0.98 0.00 0.00 173.24 173.53 1vag s PHE 704 N -2.97 3.19 0.40 5.02 0.40 -1.26 -0.96 117.98 121.80 1vag s PHE 704 Ca 0.15 -0.05 0.06 0.00 -0.60 0.00 0.00 56.93 56.48 1vag s PHE 704 Cb -0.02 -2.08 -0.07 0.00 0.51 0.00 0.00 43.02 41.36 1vag s PHE 704 CO 0.04 0.06 0.02 -1.21 0.70 0.00 0.00 175.22 174.83 1vag s GLU 705 N 0.54 1.92 0.41 0.44 0.41 -0.02 -4.95 118.70 117.45 1vag s GLU 705 Ca 0.02 -2.10 0.01 0.00 -0.41 0.00 0.00 54.97 52.49 1vag s GLU 705 Cb -0.13 -1.43 -0.01 0.00 -1.78 0.00 0.00 34.13 30.78 1vag s GLU 705 CO 0.01 -0.13 0.62 0.71 -0.49 0.00 0.00 175.26 175.98 1vag s TYR 706 N -2.87 3.25 0.01 1.61 2.02 -1.26 -1.48 117.35 118.63 1vag s TYR 706 Ca 0.32 0.18 -0.15 0.00 -0.37 0.00 0.00 57.07 57.04 1vag s TYR 706 Cb 0.09 -2.19 0.03 0.00 -0.40 0.00 0.00 41.96 39.48 1vag s TYR 706 CO 0.16 -0.22 0.33 1.14 -1.57 0.00 0.00 175.55 175.39 1vag s GLN 707 N -4.45 0.76 0.32 -0.62 -2.07 -1.26 -2.98 119.66 109.35 1vag s GLN 707 Ca 0.46 -0.30 -0.28 0.00 -1.82 0.00 0.00 55.36 53.43 1vag s GLN 707 Cb -0.10 0.33 -0.13 0.00 -1.09 0.00 0.00 33.01 32.03 1vag s GLN 707 CO 0.36 -0.23 1.12 -2.30 -1.32 0.00 0.00 175.29 172.93 1vag n PRO 708 N 0.95 1.66 -1.70 9.60 -0.02 -1.26 -4.88 135.00 139.34 1vag n PRO 708 Ca -0.20 0.58 -0.43 0.00 -2.02 0.00 0.00 63.50 61.43 1vag n PRO 708 Cb 0.58 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 1vag n PRO 708 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1vag n ASP 709 N 0.98 3.67 -0.05 2.55 10.43 -1.26 -4.86 116.55 128.01 1vag n ASP 709 Ca 0.08 1.08 0.24 0.00 2.57 0.00 0.00 54.79 58.75 1vag n ASP 709 Cb 0.34 -1.53 0.72 0.00 1.84 0.00 0.00 41.12 42.49 1vag n ASP 709 CO 0.00 0.00 0.00 1.55 -1.07 0.00 0.00 177.20 177.68 1vag h PRO 710 N 6.23 0.00 -0.01 -0.24 0.13 -1.92 -1.38 132.00 134.81 1vag h PRO 710 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1vag h PRO 710 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1vag h PRO 710 CO 0.91 0.00 -0.04 -2.67 -0.23 0.00 0.00 178.00 175.97 1vag n TRP 711 N -4.15 0.00 -0.44 1.56 2.14 -1.26 -1.90 117.44 113.38 1vag n TRP 711 Ca 0.13 0.00 0.09 0.00 2.07 0.00 0.00 57.50 59.79 1vag n TRP 711 Cb 0.77 -0.07 0.34 0.00 -0.81 0.00 0.00 31.31 31.53 1vag n TRP 711 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1vag n ASN 712 N -0.69 4.45 0.07 -0.67 5.03 -0.52 -4.65 115.26 118.27 1vag n ASN 712 Ca 0.19 -2.38 0.00 0.00 0.87 0.00 0.00 54.58 53.26 1vag n ASN 712 Cb 0.24 -0.55 0.00 0.00 -1.02 0.00 0.00 39.78 38.44 1vag n ASN 712 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1vag n THR 713 N 1.12 0.00 -1.30 3.41 -2.24 -1.20 -5.01 114.28 109.07 1vag n THR 713 Ca 0.24 0.00 -0.51 0.00 -2.27 0.00 0.00 64.05 61.52 1vag n THR 713 Cb 0.82 -0.11 -0.07 0.00 -2.10 0.00 0.00 70.33 68.87 1vag n THR 713 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1vag n HIS 714 N -2.87 0.95 -3.62 4.78 -0.00 -0.80 -4.90 115.22 108.76 1vag n HIS 714 Ca 0.00 0.88 -0.37 0.00 -0.00 0.00 0.00 57.72 58.23 1vag n HIS 714 Cb 0.00 -1.73 -0.06 0.00 -0.00 0.00 0.00 29.99 28.20 1vag n HIS 714 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1vag s VAL 715 N 1.18 5.18 0.00 3.57 1.01 -1.26 -4.88 120.40 125.20 1vag s VAL 715 Ca 0.78 0.62 0.00 0.00 0.00 0.00 0.00 61.98 63.38 1vag s VAL 715 Cb -1.11 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 31.66 1vag s VAL 715 CO 0.55 0.57 0.00 1.87 0.00 0.00 0.00 175.10 178.10