#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jwv s PHE 300 N 0.00 3.65 -0.04 -0.14 0.40 -1.26 -4.84 117.98 115.76 3jwv s PHE 300 Ca 0.00 1.68 0.05 0.00 -0.60 0.00 0.00 56.93 58.06 3jwv s PHE 300 Cb 0.00 -3.14 -0.01 0.00 0.51 0.00 0.00 43.02 40.38 3jwv s PHE 300 CO 0.00 -0.09 -0.20 -0.51 0.70 0.00 0.00 175.22 175.12 3jwv s LEU 301 N 0.93 1.99 -0.10 -0.37 1.43 -0.76 -4.94 118.68 116.86 3jwv s LEU 301 Ca 0.52 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 53.18 3jwv s LEU 301 Cb -0.22 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 3jwv s LEU 301 CO 0.28 0.21 0.09 -0.54 0.23 0.00 0.00 176.35 176.62 3jwv s LYS 302 N -0.20 3.27 -0.03 1.70 1.02 -1.26 0.17 119.74 124.41 3jwv s LYS 302 Ca 0.01 -0.24 0.06 0.00 0.02 0.00 0.00 55.97 55.82 3jwv s LYS 302 Cb -0.11 -3.04 -0.01 0.00 -0.52 0.00 0.00 37.83 34.15 3jwv s LYS 302 CO 0.01 0.75 -0.22 0.14 -0.92 0.00 0.00 175.35 175.11 3jwv s VAL 303 N -0.99 1.76 0.06 3.17 -7.23 0.54 -4.96 120.40 112.75 3jwv s VAL 303 Ca 0.15 -0.93 0.07 0.00 -1.81 0.00 0.00 61.98 59.46 3jwv s VAL 303 Cb -0.12 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 3jwv s VAL 303 CO 0.04 0.50 -0.17 -0.75 -0.31 0.00 0.00 175.10 174.40 3jwv s LYS 304 N -0.33 2.03 -0.25 4.82 2.20 -1.26 -0.62 119.74 126.33 3jwv s LYS 304 Ca 0.03 -1.02 -0.10 0.00 -0.36 0.00 0.00 55.97 54.53 3jwv s LYS 304 Cb -0.10 -2.19 -0.04 0.00 -1.51 0.00 0.00 37.83 33.98 3jwv s LYS 304 CO 0.01 0.53 0.14 1.21 -0.36 0.00 0.00 175.35 176.88 3jwv s ASN 305 N -1.65 5.80 0.14 1.43 3.84 -0.29 -1.42 114.94 122.79 3jwv s ASN 305 Ca 0.16 -0.01 0.27 0.00 0.21 0.00 0.00 52.86 53.48 3jwv s ASN 305 Cb -0.11 -2.05 0.84 0.00 -0.55 0.00 0.00 41.25 39.38 3jwv s ASN 305 CO 0.07 0.01 1.74 0.79 -2.79 0.00 0.00 177.10 176.92 3jwv n TRP 306 N 4.65 0.62 0.05 0.43 7.02 -0.10 -0.46 117.44 129.66 3jwv n TRP 306 Ca -0.15 0.18 -0.20 0.00 -1.02 0.00 0.00 57.50 56.31 3jwv n TRP 306 Cb 0.52 -0.77 -0.14 0.00 -2.42 0.00 0.00 31.31 28.49 3jwv n TRP 306 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 3jwv h GLU 307 N 0.00 0.31 0.00 -0.99 4.81 -1.95 -3.40 114.58 113.35 3jwv h GLU 307 Ca 0.00 -0.52 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3jwv h GLU 307 Cb 0.67 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.25 3jwv h GLU 307 CO 0.00 1.19 -0.68 0.25 -0.73 0.00 0.00 179.01 179.04 3jwv n THR 308 N -3.50 0.00 -0.86 0.32 -2.24 -1.22 -5.00 114.28 101.78 3jwv n THR 308 Ca -0.23 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 3jwv n THR 308 Cb 1.06 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 70.06 3jwv n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jwv n ASP 309 N -1.37 -2.75 -4.72 3.42 8.00 0.40 -4.98 116.55 114.55 3jwv n ASP 309 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 3jwv n ASP 309 Cb 0.14 -2.03 -0.03 0.00 -0.02 0.00 0.00 41.12 39.18 3jwv n ASP 309 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3jwv s VAL 310 N -1.70 2.63 -0.16 2.53 1.01 -1.25 -4.77 120.40 118.70 3jwv s VAL 310 Ca 0.00 0.45 -0.01 0.00 0.00 0.00 0.00 61.98 62.42 3jwv s VAL 310 Cb 0.00 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 3jwv s VAL 310 CO 0.00 0.03 -0.12 -0.69 0.00 0.00 0.00 175.10 174.33 3jwv s VAL 311 N 1.17 3.00 0.11 2.92 1.01 -1.26 -1.14 120.40 126.22 3jwv s VAL 311 Ca 0.70 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 62.08 3jwv s VAL 311 Cb -0.44 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 3jwv s VAL 311 CO 0.31 0.50 -0.01 -0.76 0.00 0.00 0.00 175.10 175.14 3jwv s LEU 312 N 0.75 3.37 -0.17 3.92 1.43 0.21 -4.96 118.68 123.24 3jwv s LEU 312 Ca -0.05 -0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 52.76 3jwv s LEU 312 Cb -0.15 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 3jwv s LEU 312 CO 0.01 0.15 -0.07 -0.89 0.23 0.00 0.00 176.35 175.78 3jwv s THR 313 N -1.41 3.45 -0.21 5.49 2.01 -1.26 -0.34 115.64 123.37 3jwv s THR 313 Ca 0.26 -0.50 -0.07 0.00 0.31 0.00 0.00 61.69 61.69 3jwv s THR 313 Cb -0.11 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 3jwv s THR 313 CO 0.18 0.48 0.06 -0.62 -0.69 0.00 0.00 174.62 174.03 3jwv s ASP 314 N 0.68 5.29 0.00 3.53 -1.08 0.45 -4.66 116.67 120.90 3jwv s ASP 314 Ca -0.04 -0.09 0.00 0.00 -0.52 0.00 0.00 52.55 51.90 3jwv s ASP 314 Cb -0.15 -1.93 0.00 0.00 -1.46 0.00 0.00 42.92 39.39 3jwv s ASP 314 CO 0.02 0.06 0.07 0.35 0.52 0.00 0.00 175.17 176.20 3jwv n THR 315 N 4.27 0.00 0.18 1.71 -2.24 -0.18 -1.84 114.28 116.18 3jwv n THR 315 Ca -0.16 -0.47 0.02 0.00 -2.27 0.00 0.00 64.05 61.17 3jwv n THR 315 Cb 0.52 1.01 0.35 0.00 -2.10 0.00 0.00 70.33 70.10 3jwv n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3jwv h LEU 316 N 0.00 0.00 -2.25 3.22 5.85 -1.73 -2.43 115.31 117.97 3jwv h LEU 316 Ca 0.00 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.77 3jwv h LEU 316 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3jwv h LEU 316 CO 0.00 0.39 0.19 1.12 -0.34 0.00 0.00 178.44 179.80 3jwv h HIS 317 N 0.00 0.00 0.00 1.25 2.07 -1.85 -0.35 115.15 116.27 3jwv h HIS 317 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3jwv h HIS 317 Cb 0.71 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.69 3jwv h HIS 317 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 3jwv n LEU 318 N -3.77 0.00 -1.54 6.12 4.77 -0.91 -1.63 117.00 120.03 3jwv n LEU 318 Ca 0.01 0.49 0.08 0.00 -0.03 0.00 0.00 56.01 56.56 3jwv n LEU 318 Cb 0.31 -0.49 0.35 0.00 -2.33 0.00 0.00 43.42 41.26 3jwv n LEU 318 CO 0.27 -0.31 0.81 0.29 -1.33 0.00 0.00 177.39 177.12 3jwv n LYS 319 N -1.49 4.00 -2.73 3.23 5.02 -0.14 -4.98 118.16 121.07 3jwv n LYS 319 Ca 0.03 -2.95 -0.41 0.00 -2.02 0.00 0.00 58.31 52.96 3jwv n LYS 319 Cb 0.12 -1.99 -0.04 0.00 -0.02 0.00 0.00 35.03 33.10 3jwv n LYS 319 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3jwv s SER 320 N -1.04 7.45 -0.17 4.39 0.15 -0.65 -4.87 113.70 118.96 3jwv s SER 320 Ca 0.50 1.75 -0.13 0.00 0.70 0.00 0.00 55.95 58.76 3jwv s SER 320 Cb 0.35 -2.58 -0.07 0.00 -1.71 0.00 0.00 66.02 62.02 3jwv s SER 320 CO 0.18 -0.12 -0.29 0.35 1.20 0.00 0.00 173.24 174.56 3jwv n THR 321 N 3.12 1.37 -0.96 6.45 -2.24 -1.20 -5.05 114.28 115.76 3jwv n THR 321 Ca 0.03 -0.01 -0.31 0.00 -2.27 0.00 0.00 64.05 61.49 3jwv n THR 321 Cb 0.50 -2.05 0.13 0.00 -2.10 0.00 0.00 70.33 66.81 3jwv n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3jwv s LEU 322 N -7.53 2.83 0.12 3.22 1.43 -1.24 -5.04 118.68 112.47 3jwv s LEU 322 Ca -0.27 1.97 -0.03 0.00 -1.03 0.00 0.00 54.13 54.77 3jwv s LEU 322 Cb 0.07 -4.48 -0.05 0.00 0.03 0.00 0.00 46.19 41.76 3jwv s LEU 322 CO 0.37 -2.65 0.33 -1.61 0.23 0.00 0.00 176.35 173.02 3jwv s GLU 323 N -4.77 3.56 0.20 1.70 2.02 -1.26 -4.55 118.70 115.60 3jwv s GLU 323 Ca 0.64 -0.19 0.21 0.00 0.02 0.00 0.00 54.97 55.65 3jwv s GLU 323 Cb -0.20 -2.90 0.01 0.00 0.10 0.00 0.00 34.13 31.13 3jwv s GLU 323 CO 0.57 0.51 1.07 1.79 0.02 0.00 0.00 175.26 179.22 3jwv h THR 324 N 2.05 0.15 0.00 3.63 1.35 -1.96 -3.48 112.91 114.64 3jwv h THR 324 Ca -0.46 -1.27 0.00 0.00 -0.55 0.00 0.00 66.41 64.13 3jwv h THR 324 Cb 1.16 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 3jwv h THR 324 CO 0.74 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 176.70 3jwv n GLY 325 N 1.22 2.87 3.85 5.82 0.00 -1.26 -4.85 105.19 112.84 3jwv n GLY 325 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3jwv n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwv s THR 327 N -3.09 0.31 0.39 0.00 -4.23 -0.31 -5.00 115.64 103.71 3jwv s THR 327 Ca 0.56 -2.00 0.39 0.00 -1.18 0.00 0.00 61.69 59.46 3jwv s THR 327 Cb -0.12 -2.36 0.40 0.00 1.34 0.00 0.00 72.50 71.77 3jwv s THR 327 CO 0.52 0.00 2.18 -0.33 -0.54 0.00 0.00 174.62 176.45 3jwv h GLU 328 N 1.87 0.00 0.00 3.99 3.07 -2.05 -3.13 114.58 118.32 3jwv h GLU 328 Ca -0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.56 3jwv h GLU 328 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 3jwv h GLU 328 CO 0.47 0.00 -0.92 0.72 -1.40 0.00 0.00 179.01 177.88 3jwv n HIS 329 N -2.97 0.00 -3.69 4.33 8.25 -1.26 -5.00 115.22 114.88 3jwv n HIS 329 Ca -0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.33 3jwv n HIS 329 Cb 0.13 -0.08 -0.10 0.00 1.12 0.00 0.00 29.99 31.06 3jwv n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3jwv s ILE 330 N -2.51 -0.01 -0.19 1.59 2.07 -1.19 -5.15 121.20 115.81 3jwv s ILE 330 Ca 0.03 0.05 -0.07 0.00 -1.41 0.00 0.00 60.65 59.24 3jwv s ILE 330 Cb 0.10 -0.68 -0.04 0.00 0.13 0.00 0.00 42.46 41.97 3jwv s ILE 330 CO 0.59 0.02 0.06 0.00 -1.91 0.00 0.00 174.94 173.70 3jwv n MET 332 N 3.75 2.48 0.14 0.00 0.00 -1.26 -4.77 117.12 117.47 3jwv n MET 332 Ca -0.16 -3.00 0.19 0.00 0.00 0.00 0.00 57.70 54.72 3jwv n MET 332 Cb 0.52 -1.87 0.78 0.00 0.00 0.00 0.00 33.22 32.65 3jwv n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3jwv h GLY 333 N 1.47 0.00 -2.18 3.03 0.00 -1.93 -0.19 103.07 103.27 3jwv h GLY 333 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3jwv h GLY 333 CO 0.36 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.76 3jwv n SER 334 N -3.74 3.56 -4.70 0.19 3.41 -1.26 -4.88 113.62 106.20 3jwv n SER 334 Ca 0.05 -1.99 -0.42 0.00 -0.26 0.00 0.00 58.87 56.25 3jwv n SER 334 Cb 0.49 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 3jwv n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3jwv s ILE 335 N -1.04 4.35 0.20 -1.33 -1.09 -0.09 -4.96 121.20 117.25 3jwv s ILE 335 Ca 0.39 1.68 -0.08 0.00 -2.23 0.00 0.00 60.65 60.41 3jwv s ILE 335 Cb 0.21 -4.08 0.10 0.00 -1.58 0.00 0.00 42.46 37.11 3jwv s ILE 335 CO 0.27 0.08 1.70 0.24 -1.23 0.00 0.00 174.94 176.00 3jwv h MET 336 N 7.01 1.13 -2.53 2.79 2.86 -1.91 -3.38 114.93 120.90 3jwv h MET 336 Ca -0.38 -0.29 -0.60 0.00 -2.06 0.00 0.00 59.70 56.36 3jwv h MET 336 Cb 1.20 -0.14 -0.40 0.00 0.06 0.00 0.00 31.60 32.32 3jwv h MET 336 CO 0.82 1.02 -0.81 1.28 1.06 0.00 0.00 176.91 180.28 3jwv n LEU 337 N -4.21 1.36 -0.09 1.22 4.77 -1.26 -5.16 117.00 113.63 3jwv n LEU 337 Ca 0.05 -4.85 0.13 0.00 -0.03 0.00 0.00 56.01 51.31 3jwv n LEU 337 Cb 0.29 -0.04 0.50 0.00 -2.33 0.00 0.00 43.42 41.84 3jwv n LEU 337 CO 0.43 1.88 0.77 -0.81 -1.33 0.00 0.00 177.39 178.33 3jwv n PRO 338 N 2.06 0.44 0.00 3.23 -0.04 -1.26 -5.17 135.00 134.26 3jwv n PRO 338 Ca 0.25 -0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3jwv n PRO 338 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 3jwv n PRO 338 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3jwv n THR 350 N -1.12 0.00 -0.08 0.52 -2.24 -1.26 -4.94 114.28 105.15 3jwv n THR 350 Ca 0.11 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.81 3jwv n THR 350 Cb 0.31 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.54 3jwv n THR 350 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3jwv h LYS 351 N 0.00 0.26 -0.20 -0.78 1.57 -1.94 -1.38 116.57 114.10 3jwv h LYS 351 Ca 0.00 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 3jwv h LYS 351 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3jwv h LYS 351 CO 0.00 0.17 -0.33 -0.44 -0.57 0.00 0.00 179.45 178.29 3jwv h ASP 352 N 0.27 0.42 0.45 0.86 3.45 -1.98 -3.10 116.42 116.79 3jwv h ASP 352 Ca 0.13 -0.16 -0.21 0.00 0.43 0.00 0.00 57.03 57.22 3jwv h ASP 352 Cb 0.07 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 38.72 3jwv h ASP 352 CO -0.11 0.73 -0.90 1.56 -1.57 0.00 0.00 179.24 178.94 3jwv h GLN 353 N 0.35 0.31 -0.08 3.56 4.20 -1.97 -3.33 115.11 118.15 3jwv h GLN 353 Ca 0.04 -0.33 -0.19 0.00 0.06 0.00 0.00 58.65 58.23 3jwv h GLN 353 Cb 0.75 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.62 3jwv h GLN 353 CO 0.06 1.03 -0.74 1.25 -0.67 0.00 0.00 178.83 179.76 3jwv h LEU 354 N 0.17 0.52 -0.19 1.46 5.85 -1.19 -3.34 115.31 118.60 3jwv h LEU 354 Ca -0.06 -0.34 -0.08 0.00 0.84 0.00 0.00 57.88 58.24 3jwv h LEU 354 Cb 1.53 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.41 3jwv h LEU 354 CO 0.15 1.09 -0.18 0.15 -0.34 0.00 0.00 178.44 179.30 3jwv h PHE 355 N 0.30 0.56 -0.59 1.25 3.57 -1.65 -1.37 116.94 119.00 3jwv h PHE 355 Ca -0.03 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 61.30 3jwv h PHE 355 Cb 1.32 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 3jwv h PHE 355 CO 0.05 0.82 0.35 -1.00 -2.23 0.00 0.00 178.31 176.30 3jwv h PRO 356 N 0.13 0.79 -0.55 6.41 0.13 -1.74 -1.21 132.00 135.97 3jwv h PRO 356 Ca 0.03 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 3jwv h PRO 356 Cb 0.72 -0.17 -0.03 0.00 0.13 0.00 0.00 31.00 31.66 3jwv h PRO 356 CO 0.05 0.56 0.32 -0.07 -0.23 0.00 0.00 178.00 178.63 3jwv h LEU 357 N 0.81 0.66 -0.23 1.56 3.38 -1.62 0.13 115.31 120.00 3jwv h LEU 357 Ca 0.21 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3jwv h LEU 357 Cb -0.03 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3jwv h LEU 357 CO -0.04 0.54 0.10 0.00 0.09 0.00 0.00 178.44 179.12 3jwv h ALA 358 N 1.15 0.29 -0.40 1.53 0.00 -0.86 -1.36 119.26 119.63 3jwv h ALA 358 Ca 0.19 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3jwv h ALA 358 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3jwv h ALA 358 CO -0.04 -0.12 0.19 -0.22 0.00 0.00 0.00 179.25 179.06 3jwv h LYS 359 N 0.22 0.58 -0.45 0.00 3.64 -1.00 0.22 116.57 119.77 3jwv h LYS 359 Ca 0.08 -0.09 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 3jwv h LYS 359 Cb 0.16 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 3jwv h LYS 359 CO -0.01 0.51 0.16 1.49 -2.27 0.00 0.00 179.45 179.33 3jwv h GLU 360 N 0.50 0.31 -0.31 1.90 4.81 -0.69 -0.69 114.58 120.41 3jwv h GLU 360 Ca 0.14 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 3jwv h GLU 360 Cb 0.13 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3jwv h GLU 360 CO -0.02 0.21 -0.05 0.35 -0.73 0.00 0.00 179.01 178.77 3jwv h PHE 361 N 0.32 0.65 -0.23 0.92 3.57 -0.59 -2.79 116.94 118.79 3jwv h PHE 361 Ca 0.21 -0.13 -0.10 0.00 3.53 0.00 0.00 57.97 61.49 3jwv h PHE 361 Cb 0.22 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 3jwv h PHE 361 CO -0.16 0.75 -0.28 -0.07 -2.23 0.00 0.00 178.31 176.32 3jwv h LEU 362 N 0.36 0.46 -0.91 0.59 3.38 -0.40 -0.69 115.31 118.09 3jwv h LEU 362 Ca 0.08 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3jwv h LEU 362 Cb 0.52 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3jwv h LEU 362 CO 0.03 0.73 0.19 0.44 0.09 0.00 0.00 178.44 179.92 3jwv h ASP 363 N 0.40 0.92 0.26 -0.43 3.32 -1.12 0.49 116.42 120.26 3jwv h ASP 363 Ca 0.06 -0.16 -0.24 0.00 0.02 0.00 0.00 57.03 56.70 3jwv h ASP 363 Cb 0.69 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 40.01 3jwv h ASP 363 CO 0.05 0.87 -1.00 0.06 -1.72 0.00 0.00 179.24 177.51 3jwv h GLN 364 N 0.96 0.49 0.03 3.56 3.07 -1.15 -2.43 115.11 119.63 3jwv h GLN 364 Ca 0.21 -0.54 0.02 0.00 0.09 0.00 0.00 58.65 58.43 3jwv h GLN 364 Cb 0.29 0.16 -0.02 0.00 0.08 0.00 0.00 27.48 27.98 3jwv h GLN 364 CO -0.01 1.18 -0.13 -0.92 0.09 0.00 0.00 178.83 179.04 3jwv h TYR 365 N 0.27 -0.34 0.00 0.06 3.20 -0.92 -0.78 116.97 118.45 3jwv h TYR 365 Ca -0.10 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.71 3jwv h TYR 365 Cb 1.64 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 40.05 3jwv h TYR 365 CO 0.07 -0.20 -0.33 1.88 -1.64 0.00 0.00 178.16 177.94 3jwv h TYR 366 N -0.24 0.00 -0.04 -3.82 -1.99 -0.94 -1.56 116.97 108.38 3jwv h TYR 366 Ca 0.04 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.59 3jwv h TYR 366 Cb 0.28 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.00 3jwv h TYR 366 CO -0.18 0.33 -0.75 1.03 -0.00 0.00 0.00 178.16 178.59 3jwv h SER 367 N 0.00 0.33 -0.52 3.88 0.87 -1.26 0.38 113.55 117.22 3jwv h SER 367 Ca -0.00 -0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 60.30 3jwv h SER 367 Cb 0.76 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 3jwv h SER 367 CO 0.04 0.97 0.22 0.77 -0.53 0.00 0.00 176.83 178.29 3jwv h SER 368 N 0.18 0.75 -0.49 6.23 4.64 -0.11 -2.33 113.55 122.42 3jwv h SER 368 Ca -0.03 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3jwv h SER 368 Cb 1.33 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3jwv h SER 368 CO 0.12 0.69 0.00 2.30 -0.87 0.00 0.00 176.83 179.07 3jwv n ILE 369 N -4.32 1.42 -3.53 0.95 -5.35 -1.05 -4.94 119.36 102.54 3jwv n ILE 369 Ca 0.05 -0.89 -0.20 0.00 -0.27 0.00 0.00 62.75 61.43 3jwv n ILE 369 Cb 0.17 0.00 0.08 0.00 -1.74 0.00 0.00 39.64 38.15 3jwv n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3jwv n LYS 370 N 0.78 -6.86 -0.48 6.28 5.02 -0.88 -4.92 118.16 117.11 3jwv n LYS 370 Ca 0.20 0.81 0.04 0.00 -2.02 0.00 0.00 58.31 57.33 3jwv n LYS 370 Cb 0.72 -5.80 0.05 0.00 -0.02 0.00 0.00 35.03 29.99 3jwv n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3jwv n ARG 371 N -4.45 0.45 -1.68 1.97 1.74 0.13 -5.02 116.66 109.80 3jwv n ARG 371 Ca -0.18 -1.67 -0.46 0.00 -0.77 0.00 0.00 57.85 54.77 3jwv n ARG 371 Cb 0.63 -0.80 -0.04 0.00 -1.02 0.00 0.00 32.46 31.23 3jwv n ARG 371 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3jwv n PHE 372 N -0.42 2.38 -1.21 -1.55 7.35 -0.84 -1.09 117.46 122.07 3jwv n PHE 372 Ca 0.06 0.08 -0.07 0.00 -0.76 0.00 0.00 57.45 56.76 3jwv n PHE 372 Cb 0.73 -2.63 -0.03 0.00 0.35 0.00 0.00 39.48 37.90 3jwv n PHE 372 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3jwv n GLY 373 N 3.92 0.91 3.94 7.13 0.00 -1.26 -5.01 105.19 114.82 3jwv n GLY 373 Ca 0.19 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 3jwv n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jwv s SER 374 N -2.66 4.04 0.05 1.61 1.04 -0.25 -4.88 113.70 112.65 3jwv s SER 374 Ca 0.00 0.25 -0.21 0.00 0.48 0.00 0.00 55.95 56.47 3jwv s SER 374 Cb 0.00 -0.60 -0.13 0.00 0.10 0.00 0.00 66.02 65.39 3jwv s SER 374 CO 0.00 -2.12 1.47 0.50 0.98 0.00 0.00 173.24 174.07 3jwv h LYS 375 N -1.03 0.24 -0.81 4.02 3.64 -1.96 -1.82 116.57 118.86 3jwv h LYS 375 Ca -0.43 -0.08 0.17 0.00 -1.27 0.00 0.00 60.65 59.03 3jwv h LYS 375 Cb 1.28 -0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.97 3jwv h LYS 375 CO 0.48 0.50 0.33 0.00 -2.27 0.00 0.00 179.45 178.49 3jwv h ALA 376 N 0.74 1.18 0.59 5.00 0.00 -1.95 0.17 119.26 124.99 3jwv h ALA 376 Ca 0.04 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3jwv h ALA 376 Cb 0.39 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3jwv h ALA 376 CO 0.01 -0.24 -0.44 1.25 0.00 0.00 0.00 179.25 179.83 3jwv h HIS 377 N 0.44 -1.18 -0.93 0.00 -0.00 -1.74 -1.66 115.15 110.07 3jwv h HIS 377 Ca 0.46 -0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.90 3jwv h HIS 377 Cb 0.76 0.44 -0.06 0.00 -0.00 0.00 0.00 27.41 28.54 3jwv h HIS 377 CO -0.16 -0.62 0.60 0.52 -0.00 0.00 0.00 177.93 178.27 3jwv h MET 378 N -0.98 1.01 -0.69 5.26 2.07 -0.96 -0.97 114.93 119.68 3jwv h MET 378 Ca -0.08 -0.06 -0.07 0.00 -2.07 0.00 0.00 59.70 57.43 3jwv h MET 378 Cb 0.81 -0.23 -0.03 0.00 -1.87 0.00 0.00 31.60 30.29 3jwv h MET 378 CO 0.03 0.67 0.18 -0.44 1.07 0.00 0.00 176.91 178.42 3jwv h ASP 379 N 1.04 1.04 -0.36 1.22 3.45 -0.68 -0.83 116.42 121.30 3jwv h ASP 379 Ca 0.41 -0.23 -0.15 0.00 0.43 0.00 0.00 57.03 57.49 3jwv h ASP 379 Cb 0.23 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.72 3jwv h ASP 379 CO -0.16 1.00 -0.33 -0.09 -1.57 0.00 0.00 179.24 178.08 3jwv h ARG 380 N 1.03 0.90 -0.71 3.56 9.65 -0.56 -1.70 114.38 126.54 3jwv h ARG 380 Ca 0.22 -0.44 -0.02 0.00 -1.10 0.00 0.00 59.98 58.64 3jwv h ARG 380 Cb 0.36 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.90 3jwv h ARG 380 CO 0.00 1.09 0.38 1.25 2.80 0.00 0.00 179.97 185.49 3jwv h LEU 381 N 0.75 0.91 -0.71 3.80 5.85 -0.86 -1.18 115.31 123.86 3jwv h LEU 381 Ca 0.07 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 3jwv h LEU 381 Cb 0.91 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 3jwv h LEU 381 CO 0.08 0.75 0.21 -0.08 -0.34 0.00 0.00 178.44 179.07 3jwv h GLU 382 N 0.99 1.11 -0.64 1.25 4.57 -1.09 -0.56 114.58 120.21 3jwv h GLU 382 Ca 0.25 -0.25 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 3jwv h GLU 382 Cb 0.06 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 3jwv h GLU 382 CO -0.04 0.96 0.08 1.49 -1.18 0.00 0.00 179.01 180.32 3jwv h GLU 383 N 1.05 1.06 -0.12 1.92 4.81 -0.90 0.02 114.58 122.42 3jwv h GLU 383 Ca 0.23 -0.29 -0.12 0.00 -0.13 0.00 0.00 59.36 59.05 3jwv h GLU 383 Cb 0.32 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.59 3jwv h GLU 383 CO -0.00 0.99 -0.38 0.28 -0.73 0.00 0.00 179.01 179.16 3jwv h VAL 384 N 0.99 1.37 -0.82 0.32 2.07 -1.19 -2.02 116.25 116.97 3jwv h VAL 384 Ca 0.19 -1.69 0.12 0.00 0.82 0.00 0.00 66.70 66.14 3jwv h VAL 384 Cb 0.46 2.12 -0.08 0.00 -1.52 0.00 0.00 31.29 32.26 3jwv h VAL 384 CO 0.02 0.50 0.44 -1.13 0.02 0.00 0.00 177.57 177.42 3jwv h ASN 385 N 0.07 0.58 -0.19 0.57 -0.73 -0.91 -0.33 115.58 114.64 3jwv h ASN 385 Ca -0.01 0.07 -0.02 0.00 1.87 0.00 0.00 56.30 58.21 3jwv h ASN 385 Cb 1.01 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 39.56 3jwv h ASN 385 CO 0.08 0.29 0.04 0.11 -0.37 0.00 0.00 177.43 177.59 3jwv h LYS 386 N 0.69 0.32 -0.73 6.67 1.57 -0.93 -1.07 116.57 123.08 3jwv h LYS 386 Ca 0.42 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 59.08 3jwv h LYS 386 Cb 0.50 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 3jwv h LYS 386 CO -0.30 0.46 0.27 1.49 -0.57 0.00 0.00 179.45 180.79 3jwv h GLU 387 N 0.12 1.10 -0.24 3.15 4.81 -0.93 -2.38 114.58 120.21 3jwv h GLU 387 Ca 0.06 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 3jwv h GLU 387 Cb 0.29 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3jwv h GLU 387 CO 0.00 0.91 0.08 0.82 -0.73 0.00 0.00 179.01 180.10 3jwv h ILE 388 N 1.07 1.18 -0.02 2.32 2.04 -1.02 0.38 117.51 123.47 3jwv h ILE 388 Ca 0.24 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.53 3jwv h ILE 388 Cb 0.24 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3jwv h ILE 388 CO -0.02 0.19 0.05 -0.33 0.00 0.00 0.00 178.15 178.04 3jwv h GLU 389 N 0.23 0.00 0.00 2.37 4.39 -0.84 -1.11 114.58 119.63 3jwv h GLU 389 Ca 0.08 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.50 3jwv h GLU 389 Cb 0.21 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.82 3jwv h GLU 389 CO -0.00 0.00 -1.92 0.45 -1.16 0.00 0.00 179.01 176.38 3jwv n SER 390 N -3.34 1.20 0.05 1.42 2.88 -0.93 -4.77 113.62 110.13 3jwv n SER 390 Ca -0.02 0.21 0.05 0.00 -1.33 0.00 0.00 58.87 57.78 3jwv n SER 390 Cb 0.13 -0.50 -0.06 0.00 -0.75 0.00 0.00 64.21 63.02 3jwv n SER 390 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3jwv n THR 391 N -3.77 0.83 -0.97 2.46 -2.24 0.13 -4.97 114.28 105.76 3jwv n THR 391 Ca -0.33 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 3jwv n THR 391 Cb 0.73 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 3jwv n THR 391 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3jwv n SER 392 N -2.72 -1.23 -1.96 3.42 3.41 -0.42 -4.99 113.62 109.14 3jwv n SER 392 Ca -0.06 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.47 3jwv n SER 392 Cb 0.71 -0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 3jwv n SER 392 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3jwv n THR 393 N -2.34 0.00 -3.97 6.66 5.66 -1.26 -4.72 114.28 114.31 3jwv n THR 393 Ca 0.00 -0.99 -0.11 0.00 -3.05 0.00 0.00 64.05 59.91 3jwv n THR 393 Cb 0.02 0.52 -0.03 0.00 -1.55 0.00 0.00 70.33 69.29 3jwv n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3jwv s TYR 394 N -3.08 0.50 -0.07 1.09 -0.85 -1.26 -3.30 117.35 110.38 3jwv s TYR 394 Ca 0.16 -0.89 0.05 0.00 -0.52 0.00 0.00 57.07 55.87 3jwv s TYR 394 Cb 0.00 0.29 -0.01 0.00 0.38 0.00 0.00 41.96 42.62 3jwv s TYR 394 CO 0.11 -1.19 -0.23 -0.65 -1.52 0.00 0.00 175.55 172.08 3jwv s GLN 395 N -3.31 2.69 0.29 -3.49 -1.52 -1.26 -5.07 119.66 108.00 3jwv s GLN 395 Ca 0.23 -0.86 -0.28 0.00 -1.95 0.00 0.00 55.36 52.50 3jwv s GLN 395 Cb -0.02 -2.25 -0.09 0.00 -0.22 0.00 0.00 33.01 30.43 3jwv s GLN 395 CO 0.13 0.37 0.97 -0.51 -0.25 0.00 0.00 175.29 176.00 3jwv s LEU 396 N -0.11 4.47 0.74 2.90 1.43 -1.26 -5.05 118.68 121.80 3jwv s LEU 396 Ca -0.04 1.95 -0.12 0.00 -1.03 0.00 0.00 54.13 54.88 3jwv s LEU 396 Cb -0.14 -3.82 0.04 0.00 0.03 0.00 0.00 46.19 42.30 3jwv s LEU 396 CO 0.04 -0.02 1.11 -0.54 0.23 0.00 0.00 176.35 177.17 3jwv s LYS 397 N -1.68 2.31 0.21 1.70 -0.14 -1.26 -4.83 119.74 116.06 3jwv s LYS 397 Ca 0.47 1.32 -0.09 0.00 -1.36 0.00 0.00 55.97 56.31 3jwv s LYS 397 Cb -0.23 -1.89 0.29 0.00 -1.68 0.00 0.00 37.83 34.31 3jwv s LYS 397 CO 0.29 -1.62 1.75 -0.44 -0.76 0.00 0.00 175.35 174.57 3jwv h ASP 398 N -0.74 0.27 -0.96 2.83 5.19 -1.99 -0.91 116.42 120.11 3jwv h ASP 398 Ca -0.45 0.08 0.06 0.00 -0.62 0.00 0.00 57.03 56.10 3jwv h ASP 398 Cb 1.24 0.04 -0.06 0.00 0.18 0.00 0.00 39.33 40.74 3jwv h ASP 398 CO 0.51 0.16 0.62 0.71 -3.12 0.00 0.00 179.24 178.12 3jwv h THR 399 N 0.44 1.08 -0.22 0.35 1.35 -2.00 -0.75 112.91 113.17 3jwv h THR 399 Ca 0.32 -0.38 -0.19 0.00 -0.55 0.00 0.00 66.41 65.60 3jwv h THR 399 Cb 0.38 -0.13 0.00 0.00 -1.73 0.00 0.00 68.15 66.68 3jwv h THR 399 CO -0.30 0.20 -0.63 -0.33 -0.25 0.00 0.00 175.52 174.21 3jwv h GLU 400 N 1.11 0.76 -0.39 4.72 5.08 -1.66 -1.34 114.58 122.85 3jwv h GLU 400 Ca 0.41 -0.53 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 3jwv h GLU 400 Cb 0.18 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3jwv h GLU 400 CO -0.16 1.15 0.04 1.25 -1.00 0.00 0.00 179.01 180.29 3jwv h LEU 401 N 0.56 0.65 -0.32 1.33 5.85 -0.77 0.25 115.31 122.86 3jwv h LEU 401 Ca -0.01 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 3jwv h LEU 401 Cb 1.23 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 3jwv h LEU 401 CO 0.13 0.77 0.07 0.40 -0.34 0.00 0.00 178.44 179.47 3jwv h ILE 402 N 0.51 1.22 -0.32 4.05 2.04 -1.11 -1.26 117.51 122.65 3jwv h ILE 402 Ca 0.12 -0.75 0.03 0.00 1.00 0.00 0.00 64.86 65.25 3jwv h ILE 402 Cb 0.42 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 3jwv h ILE 402 CO 0.01 0.25 0.14 0.22 0.00 0.00 0.00 178.15 178.78 3jwv h TYR 403 N 0.35 0.27 -0.52 1.37 3.20 -1.17 -1.87 116.97 118.60 3jwv h TYR 403 Ca 0.10 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.96 3jwv h TYR 403 Cb 0.30 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3jwv h TYR 403 CO 0.02 0.14 0.22 0.78 -1.64 0.00 0.00 178.16 177.68 3jwv h GLY 404 N 0.31 0.82 0.99 1.82 0.00 -0.38 -1.50 103.07 105.13 3jwv h GLY 404 Ca 0.14 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3jwv h GLY 404 CO -0.11 0.41 0.24 0.00 0.00 0.00 0.00 176.54 177.08 3jwv h ALA 405 N 1.07 0.48 -0.40 3.60 0.00 -1.17 -0.22 119.26 122.61 3jwv h ALA 405 Ca 0.17 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3jwv h ALA 405 Cb 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3jwv h ALA 405 CO -0.02 -0.04 -0.13 0.87 0.00 0.00 0.00 179.25 179.93 3jwv h LYS 406 N 0.51 0.72 0.00 0.00 1.57 -1.14 -2.72 116.57 115.51 3jwv h LYS 406 Ca 0.14 -0.25 -0.17 0.00 -1.87 0.00 0.00 60.65 58.51 3jwv h LYS 406 Cb -0.03 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3jwv h LYS 406 CO -0.03 0.83 -0.79 0.45 -0.57 0.00 0.00 179.45 179.34 3jwv h HIS 407 N 0.65 0.00 -0.86 -1.35 3.86 -1.17 -0.81 115.15 115.48 3jwv h HIS 407 Ca 0.11 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 3jwv h HIS 407 Cb 0.60 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.03 3jwv h HIS 407 CO 0.03 0.79 0.50 0.00 0.86 0.00 0.00 177.93 180.11 3jwv h ALA 408 N 1.21 1.09 -0.09 2.45 0.00 -0.74 0.16 119.26 123.35 3jwv h ALA 408 Ca -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3jwv h ALA 408 Cb 1.40 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3jwv h ALA 408 CO 0.10 0.57 -0.01 2.35 0.00 0.00 0.00 179.25 182.27 3jwv h TRP 409 N 1.18 0.18 -0.87 0.00 7.01 -1.40 -2.62 115.95 119.43 3jwv h TRP 409 Ca 0.31 -0.03 0.20 0.00 2.11 0.00 0.00 58.89 61.47 3jwv h TRP 409 Cb -0.02 -0.04 -0.06 0.00 -2.10 0.00 0.00 29.16 26.93 3jwv h TRP 409 CO 0.00 0.44 0.58 -0.09 -2.79 0.00 0.00 178.44 176.58 3jwv h ARG 410 N -0.14 0.35 -0.01 2.65 2.43 -0.81 -1.26 114.38 117.59 3jwv h ARG 410 Ca 0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3jwv h ARG 410 Cb 0.37 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3jwv h ARG 410 CO 0.01 0.23 -0.15 0.09 -1.51 0.00 0.00 179.97 178.63 3jwv n ASN 411 N -4.48 1.36 -4.55 -3.80 3.02 0.54 -4.85 115.26 102.50 3jwv n ASN 411 Ca 0.18 -1.22 -0.37 0.00 -0.03 0.00 0.00 54.58 53.14 3jwv n ASN 411 Cb 0.69 0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.92 3jwv n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jwv s ALA 412 N -2.28 2.22 -0.03 5.41 0.00 -0.48 -4.69 121.76 121.91 3jwv s ALA 412 Ca 0.30 -0.96 0.31 0.00 0.00 0.00 0.00 51.96 51.61 3jwv s ALA 412 Cb 0.20 -4.34 1.36 0.00 0.00 0.00 0.00 23.12 20.34 3jwv s ALA 412 CO 0.44 -3.91 1.93 0.66 0.00 0.00 0.00 175.76 174.87 3jwv h SER 413 N 13.42 0.00 0.06 0.00 4.64 -1.89 -1.53 113.55 128.25 3jwv h SER 413 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 3jwv h SER 413 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 3jwv h SER 413 CO 1.24 0.00 -0.11 0.54 -0.87 0.00 0.00 176.83 177.63 3jwv n ARG 414 N -2.78 1.45 -3.49 4.77 1.74 -1.26 -0.54 116.66 116.56 3jwv n ARG 414 Ca 0.01 -0.92 -0.39 0.00 -0.77 0.00 0.00 57.85 55.77 3jwv n ARG 414 Cb 0.24 -1.48 -0.10 0.00 -1.02 0.00 0.00 32.46 30.10 3jwv n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jwv h VAL 416 N 5.43 0.00 -0.38 0.00 3.04 -1.89 -3.34 116.25 119.12 3jwv h VAL 416 Ca -0.32 -0.64 0.00 0.00 -1.01 0.00 0.00 66.70 64.72 3jwv h VAL 416 Cb 1.17 1.64 0.00 0.00 -2.01 0.00 0.00 31.29 32.08 3jwv h VAL 416 CO 0.62 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.79 3jwv n GLY 417 N 1.17 2.38 0.00 3.17 0.00 -1.26 -4.44 105.19 106.21 3jwv n GLY 417 Ca 0.05 -0.59 0.09 0.00 0.00 0.00 0.00 46.02 45.57 3jwv n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jwv n ARG 418 N 0.43 0.03 0.21 1.61 1.74 -1.26 -2.90 116.66 116.53 3jwv n ARG 418 Ca 0.18 0.16 0.18 0.00 -0.77 0.00 0.00 57.85 57.60 3jwv n ARG 418 Cb 0.83 -1.50 0.78 0.00 -1.02 0.00 0.00 32.46 31.55 3jwv n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3jwv h ILE 419 N 0.00 0.21 -0.10 0.55 2.10 -1.88 0.14 117.51 118.53 3jwv h ILE 419 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3jwv h ILE 419 Cb 0.32 0.66 0.00 0.00 -1.09 0.00 0.00 36.82 36.71 3jwv h ILE 419 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 3jwv n GLN 420 N -3.35 1.90 -0.08 2.19 1.13 -1.14 -4.63 117.38 113.39 3jwv n GLN 420 Ca 0.03 -1.33 0.18 0.00 -1.94 0.00 0.00 57.00 53.94 3jwv n GLN 420 Cb 0.50 -1.46 0.61 0.00 0.11 0.00 0.00 30.24 30.00 3jwv n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3jwv h TRP 421 N 3.00 0.22 0.00 1.08 5.08 -0.94 -0.33 115.95 124.06 3jwv h TRP 421 Ca 0.00 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.98 3jwv h TRP 421 Cb 0.65 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 26.73 3jwv h TRP 421 CO 0.06 0.09 -0.17 -1.13 -1.28 0.00 0.00 178.44 176.01 3jwv n SER 422 N -4.42 0.36 -4.19 0.11 3.41 -1.26 -4.09 113.62 103.54 3jwv n SER 422 Ca 0.12 0.33 -0.39 0.00 -0.26 0.00 0.00 58.87 58.67 3jwv n SER 422 Cb 0.58 -0.35 -0.04 0.00 -0.26 0.00 0.00 64.21 64.14 3jwv n SER 422 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3jwv s LYS 423 N -3.04 3.56 -0.07 4.33 1.02 -0.13 -4.96 119.74 120.45 3jwv s LYS 423 Ca 0.12 -3.22 0.02 0.00 0.02 0.00 0.00 55.97 52.91 3jwv s LYS 423 Cb 0.17 -4.15 0.01 0.00 -0.52 0.00 0.00 37.83 33.34 3jwv s LYS 423 CO 0.60 -1.25 -0.13 -1.17 -0.92 0.00 0.00 175.35 172.48 3jwv s LEU 424 N -1.25 1.65 -0.23 3.17 2.96 -1.26 -4.61 118.68 119.11 3jwv s LEU 424 Ca 0.28 -0.32 -0.21 0.00 -0.22 0.00 0.00 54.13 53.66 3jwv s LEU 424 Cb -0.09 -0.87 -0.02 0.00 0.50 0.00 0.00 46.19 45.72 3jwv s LEU 424 CO -0.11 0.03 0.65 -1.58 -1.32 0.00 0.00 176.35 174.02 3jwv s GLN 425 N 0.71 4.15 -0.24 1.98 2.00 -0.85 -4.97 119.66 122.43 3jwv s GLN 425 Ca -0.14 0.61 -0.09 0.00 -2.00 0.00 0.00 55.36 53.75 3jwv s GLN 425 Cb -0.16 -3.63 -0.04 0.00 0.80 0.00 0.00 33.01 29.99 3jwv s GLN 425 CO 0.03 -0.37 0.11 0.08 -0.50 0.00 0.00 175.29 174.64 3jwv s VAL 426 N 2.35 4.76 -0.35 1.34 1.01 -1.26 -1.47 120.40 126.77 3jwv s VAL 426 Ca 0.28 -0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.12 3jwv s VAL 426 Cb -0.16 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.02 3jwv s VAL 426 CO 0.09 0.35 0.20 -0.36 0.00 0.00 0.00 175.10 175.38 3jwv s PHE 427 N 1.31 3.22 -0.63 5.22 0.08 0.55 -4.98 117.98 122.74 3jwv s PHE 427 Ca 0.06 -0.74 -0.27 0.00 0.12 0.00 0.00 56.93 56.09 3jwv s PHE 427 Cb -0.15 -2.43 0.03 0.00 -0.57 0.00 0.00 43.02 39.91 3jwv s PHE 427 CO 0.05 -0.56 1.18 0.34 -0.10 0.00 0.00 175.22 176.13 3jwv s ASP 428 N 1.60 6.33 -0.38 1.36 3.68 -1.26 -0.99 116.67 127.00 3jwv s ASP 428 Ca 0.03 -0.19 0.06 0.00 2.13 0.00 0.00 52.55 54.58 3jwv s ASP 428 Cb -0.18 -2.53 0.57 0.00 -1.45 0.00 0.00 42.92 39.32 3jwv s ASP 428 CO 0.07 -1.57 1.68 0.00 0.13 0.00 0.00 175.17 175.48 3jwv n ALA 429 N 8.59 5.03 0.50 3.66 0.00 0.29 -4.65 120.51 133.92 3jwv n ALA 429 Ca 0.05 -3.11 0.11 0.00 0.00 0.00 0.00 53.44 50.49 3jwv n ALA 429 Cb 0.49 -1.08 0.44 0.00 0.00 0.00 0.00 19.45 19.30 3jwv n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3jwv n ARG 430 N -1.11 0.14 -0.00 0.00 1.74 -1.08 -2.14 116.66 114.22 3jwv n ARG 430 Ca 0.47 0.32 0.14 0.00 -0.77 0.00 0.00 57.85 58.01 3jwv n ARG 430 Cb 1.26 -1.75 0.69 0.00 -1.02 0.00 0.00 32.46 31.65 3jwv n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3jwv n ASP 431 N -2.01 0.81 -4.76 0.55 3.85 -1.26 -4.48 116.55 109.24 3jwv n ASP 431 Ca 0.03 -1.30 -0.41 0.00 -0.71 0.00 0.00 54.79 52.41 3jwv n ASP 431 Cb 0.25 -0.01 -0.03 0.00 -1.35 0.00 0.00 41.12 39.99 3jwv n ASP 431 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3jwv n THR 433 N 1.06 0.00 -4.17 0.00 -2.24 -1.26 -4.78 114.28 102.90 3jwv n THR 433 Ca -0.00 -0.35 -0.11 0.00 -2.27 0.00 0.00 64.05 61.32 3jwv n THR 433 Cb 0.43 0.96 -0.10 0.00 -2.10 0.00 0.00 70.33 69.52 3jwv n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3jwv s THR 434 N -0.80 0.04 0.30 4.28 -4.23 -1.26 -4.69 115.64 109.28 3jwv s THR 434 Ca 0.00 -1.93 0.04 0.00 -1.18 0.00 0.00 61.69 58.63 3jwv s THR 434 Cb 0.00 -2.31 0.08 0.00 1.34 0.00 0.00 72.50 71.61 3jwv s THR 434 CO 0.00 -0.17 1.75 0.00 -0.54 0.00 0.00 174.62 175.66 3jwv h ALA 435 N 2.69 1.18 -0.65 3.99 0.00 -1.90 -0.26 119.26 124.30 3jwv h ALA 435 Ca -0.35 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.15 3jwv h ALA 435 Cb 1.23 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3jwv h ALA 435 CO 0.54 0.53 0.10 0.45 0.00 0.00 0.00 179.25 180.87 3jwv h HIS 436 N 0.36 1.14 -0.47 0.00 -0.00 -1.96 0.10 115.15 114.31 3jwv h HIS 436 Ca 0.06 -0.15 -0.01 0.00 -0.00 0.00 0.00 60.37 60.26 3jwv h HIS 436 Cb 0.63 -0.31 -0.02 0.00 -0.00 0.00 0.00 27.41 27.71 3jwv h HIS 436 CO 0.02 0.96 0.25 0.78 -0.00 0.00 0.00 177.93 179.94 3jwv h GLY 437 N 1.04 0.71 0.98 2.45 0.00 -1.83 -1.44 103.07 104.99 3jwv h GLY 437 Ca 0.20 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 47.21 3jwv h GLY 437 CO 0.01 0.31 0.30 -0.33 0.00 0.00 0.00 176.54 176.84 3jwv h MET 438 N 0.62 0.60 -0.57 4.80 0.00 -0.81 -1.13 114.93 118.44 3jwv h MET 438 Ca 0.17 -0.04 0.04 0.00 0.00 0.00 0.00 59.70 59.87 3jwv h MET 438 Cb 0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 31.60 31.48 3jwv h MET 438 CO -0.03 0.40 0.31 0.35 0.00 0.00 0.00 176.91 177.94 3jwv h PHE 439 N 0.62 0.58 0.01 -0.22 3.04 -0.54 -0.48 116.94 119.95 3jwv h PHE 439 Ca 0.17 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.15 3jwv h PHE 439 Cb -0.06 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.26 3jwv h PHE 439 CO -0.05 0.30 -0.05 -0.97 -2.02 0.00 0.00 178.31 175.52 3jwv h ASN 440 N 0.60 -0.15 -0.95 0.41 -1.24 -0.98 -0.67 115.58 112.60 3jwv h ASN 440 Ca 0.24 0.02 0.12 0.00 0.71 0.00 0.00 56.30 57.39 3jwv h ASN 440 Cb 0.11 0.06 -0.08 0.00 0.73 0.00 0.00 38.32 39.15 3jwv h ASN 440 CO -0.15 -0.08 0.61 1.88 -1.29 0.00 0.00 177.43 178.40 3jwv h TYR 441 N -0.10 1.04 -0.13 0.67 -1.99 -0.89 -1.78 116.97 113.78 3jwv h TYR 441 Ca 0.02 0.03 -0.16 0.00 2.00 0.00 0.00 58.73 60.62 3jwv h TYR 441 Cb 0.12 -0.33 0.01 0.00 2.00 0.00 0.00 36.73 38.53 3jwv h TYR 441 CO -0.12 0.43 -0.54 0.82 -0.00 0.00 0.00 178.16 178.75 3jwv h ILE 442 N 0.92 1.34 -0.62 -2.88 2.04 -0.73 -0.36 117.51 117.21 3jwv h ILE 442 Ca 0.46 -1.82 0.04 0.00 1.00 0.00 0.00 64.86 64.54 3jwv h ILE 442 Cb 0.50 2.09 -0.04 0.00 -0.74 0.00 0.00 36.82 38.63 3jwv h ILE 442 CO -0.23 0.56 0.37 0.00 0.00 0.00 0.00 178.15 178.85 3jwv h ASN 444 N 0.72 0.73 0.16 0.00 2.35 -1.18 -0.47 115.58 117.88 3jwv h ASN 444 Ca 0.26 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3jwv h ASN 444 Cb 0.07 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 3jwv h ASN 444 CO -0.12 0.66 -0.16 -0.74 -1.65 0.00 0.00 177.43 175.42 3jwv h HIS 445 N 0.75 -0.42 -0.44 1.19 -0.00 -0.69 -0.12 115.15 115.42 3jwv h HIS 445 Ca 0.19 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.62 3jwv h HIS 445 Cb 0.13 0.17 -0.05 0.00 -0.00 0.00 0.00 27.41 27.66 3jwv h HIS 445 CO -0.00 -0.25 0.13 0.28 -0.00 0.00 0.00 177.93 178.09 3jwv h VAL 446 N -0.35 0.82 -0.35 5.26 2.07 -0.06 0.28 116.25 123.92 3jwv h VAL 446 Ca 0.00 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 3jwv h VAL 446 Cb 0.34 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3jwv h VAL 446 CO -0.05 0.05 -0.06 0.50 0.02 0.00 0.00 177.57 178.03 3jwv h LYS 447 N 0.28 0.65 -0.46 1.57 3.64 -0.94 -1.81 116.57 119.50 3jwv h LYS 447 Ca 0.21 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3jwv h LYS 447 Cb 0.23 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3jwv h LYS 447 CO -0.24 0.81 0.26 -0.92 -2.27 0.00 0.00 179.45 177.09 3jwv h TYR 448 N 0.45 0.64 -0.49 1.91 3.20 -0.71 -2.13 116.97 119.84 3jwv h TYR 448 Ca 0.09 -0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.82 3jwv h TYR 448 Cb 0.56 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 3jwv h TYR 448 CO 0.05 0.48 -0.20 0.00 -1.64 0.00 0.00 178.16 176.84 3jwv h ALA 449 N 1.10 0.72 -0.06 1.82 0.00 -0.91 -3.29 119.26 118.64 3jwv h ALA 449 Ca 0.16 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3jwv h ALA 449 Cb 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3jwv h ALA 449 CO -0.03 0.67 -0.15 1.15 0.00 0.00 0.00 179.25 180.90 3jwv h THR 450 N 0.85 1.42 -6.34 0.00 2.02 -1.30 0.23 112.91 109.79 3jwv h THR 450 Ca 0.11 -1.49 -0.48 0.00 0.77 0.00 0.00 66.41 65.33 3jwv h THR 450 Cb 0.78 2.24 -0.04 0.00 -1.74 0.00 0.00 68.15 69.39 3jwv h THR 450 CO 0.06 0.41 -0.81 -3.20 0.37 0.00 0.00 175.52 172.36 3jwv n ASN 451 N -4.61 -2.93 -2.15 4.18 5.15 -0.81 0.00 115.26 114.10 3jwv n ASN 451 Ca -0.08 -0.86 -0.18 0.00 -0.60 0.00 0.00 54.58 52.86 3jwv n ASN 451 Cb 0.38 -3.64 -0.03 0.00 -0.53 0.00 0.00 39.78 35.96 3jwv n ASN 451 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3jwv n LYS 452 N -4.49 -1.72 0.00 1.20 5.02 -1.26 -1.84 118.16 115.07 3jwv n LYS 452 Ca -0.10 0.95 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 3jwv n LYS 452 Cb 0.59 -5.50 0.00 0.00 -0.02 0.00 0.00 35.03 30.10 3jwv n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jwv n GLY 453 N -0.77 1.58 3.32 0.72 0.00 0.10 -4.93 105.19 105.21 3jwv n GLY 453 Ca -0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.37 3jwv n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jwv n ASN 454 N 0.00 5.35 -4.77 1.61 4.05 -0.77 -1.22 115.26 119.51 3jwv n ASN 454 Ca 0.00 -3.04 -0.41 0.00 0.45 0.00 0.00 54.58 51.58 3jwv n ASN 454 Cb 0.00 -1.50 -0.01 0.00 1.23 0.00 0.00 39.78 39.51 3jwv n ASN 454 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3jwv s LEU 455 N 0.39 4.35 -0.04 1.20 1.43 -1.25 -4.54 118.68 120.21 3jwv s LEU 455 Ca 0.39 2.95 0.05 0.00 -1.03 0.00 0.00 54.13 56.49 3jwv s LEU 455 Cb -0.02 -3.66 -0.00 0.00 0.03 0.00 0.00 46.19 42.53 3jwv s LEU 455 CO -0.01 -0.80 -0.18 -0.13 0.23 0.00 0.00 176.35 175.46 3jwv s ARG 456 N -1.81 1.84 0.37 1.70 0.52 0.80 -5.00 118.95 117.37 3jwv s ARG 456 Ca 0.53 -0.64 -0.27 0.00 -0.52 0.00 0.00 55.73 54.83 3jwv s ARG 456 Cb -0.45 -1.60 -0.09 0.00 0.52 0.00 0.00 34.95 33.32 3jwv s ARG 456 CO 0.59 0.27 1.27 -1.12 0.02 0.00 0.00 175.30 176.33 3jwv s SER 457 N -0.01 6.57 0.01 0.23 0.01 -1.26 -4.41 113.70 114.83 3jwv s SER 457 Ca -0.03 2.60 -0.24 0.00 1.31 0.00 0.00 55.95 59.60 3jwv s SER 457 Cb -0.11 -2.64 0.05 0.00 0.21 0.00 0.00 66.02 63.53 3jwv s SER 457 CO 0.02 -0.67 0.53 0.00 0.41 0.00 0.00 173.24 173.53 3jwv s ALA 458 N -1.23 -1.36 0.00 1.44 0.00 -0.91 -2.02 121.76 117.68 3jwv s ALA 458 Ca 0.53 0.75 0.02 0.00 0.00 0.00 0.00 51.96 53.26 3jwv s ALA 458 Cb -0.37 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.97 3jwv s ALA 458 CO 0.48 -0.43 -0.06 -1.50 0.00 0.00 0.00 175.76 174.26 3jwv s ILE 459 N -1.91 0.43 -0.14 0.00 2.07 -0.54 -1.27 121.20 119.84 3jwv s ILE 459 Ca -0.08 -0.33 -0.00 0.00 -1.41 0.00 0.00 60.65 58.83 3jwv s ILE 459 Cb -0.01 -0.39 -0.01 0.00 0.13 0.00 0.00 42.46 42.18 3jwv s ILE 459 CO 0.03 0.06 -0.13 -0.89 -1.91 0.00 0.00 174.94 172.09 3jwv s THR 460 N -0.27 2.95 -0.28 4.00 2.01 -0.37 -0.33 115.64 123.34 3jwv s THR 460 Ca 0.01 -0.69 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 3jwv s THR 460 Cb -0.03 -2.24 0.04 0.00 0.01 0.00 0.00 72.50 70.28 3jwv s THR 460 CO -0.00 0.52 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.80 3jwv s ILE 461 N 0.50 2.98 0.78 1.82 1.01 -0.16 -3.11 121.20 125.03 3jwv s ILE 461 Ca -0.09 -1.26 -0.09 0.00 0.00 0.00 0.00 60.65 59.20 3jwv s ILE 461 Cb -0.16 -2.65 0.10 0.00 0.01 0.00 0.00 42.46 39.76 3jwv s ILE 461 CO 0.04 -0.01 1.11 -0.36 0.00 0.00 0.00 174.94 175.72 3jwv s PHE 462 N 1.28 2.52 0.46 3.97 0.08 -0.76 -0.55 117.98 124.98 3jwv s PHE 462 Ca -0.04 0.41 -0.24 0.00 0.12 0.00 0.00 56.93 57.19 3jwv s PHE 462 Cb -0.19 -3.43 -0.09 0.00 -0.57 0.00 0.00 43.02 38.74 3jwv s PHE 462 CO -0.02 -1.77 1.15 -2.30 -0.10 0.00 0.00 175.22 172.18 3jwv n PRO 463 N -3.17 1.58 -2.04 0.24 -0.02 -1.26 -4.70 135.00 125.64 3jwv n PRO 463 Ca 0.10 0.57 -0.34 0.00 -2.02 0.00 0.00 63.50 61.82 3jwv n PRO 463 Cb 0.60 -2.26 0.02 0.00 -0.02 0.00 0.00 33.50 31.84 3jwv n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3jwv s GLN 464 N -2.28 3.17 0.54 -0.52 -2.07 -1.26 -4.55 119.66 112.69 3jwv s GLN 464 Ca 0.65 1.39 -0.21 0.00 -1.82 0.00 0.00 55.36 55.37 3jwv s GLN 464 Cb -0.50 -2.00 -0.06 0.00 -1.09 0.00 0.00 33.01 29.35 3jwv s GLN 464 CO 0.55 -0.95 1.10 -2.13 -1.32 0.00 0.00 175.29 172.54 3jwv n ARG 465 N -1.90 1.27 0.00 9.60 0.63 0.18 -4.96 116.66 121.47 3jwv n ARG 465 Ca 0.10 0.47 0.00 0.00 -0.92 0.00 0.00 57.85 57.50 3jwv n ARG 465 Cb 0.52 -2.26 0.00 0.00 0.45 0.00 0.00 32.46 31.17 3jwv n ARG 465 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3jwv n THR 466 N -1.19 0.00 1.27 5.15 -2.24 -1.26 -4.78 114.28 111.22 3jwv n THR 466 Ca 0.11 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.03 3jwv n THR 466 Cb 0.44 -0.11 0.40 0.00 -2.10 0.00 0.00 70.33 68.96 3jwv n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3jwv n ASP 467 N 0.00 1.04 0.00 3.42 5.75 -1.26 -4.94 116.55 120.56 3jwv n ASP 467 Ca 0.00 -0.93 0.00 0.00 -0.01 0.00 0.00 54.79 53.85 3jwv n ASP 467 Cb 0.00 0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 3jwv n ASP 467 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3jwv n GLY 468 N 1.33 0.80 0.68 6.12 0.00 -1.26 -4.84 105.19 108.01 3jwv n GLY 468 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.23 3jwv n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jwv n LYS 469 N -2.36 1.46 -0.71 1.61 5.02 -1.26 -4.56 118.16 117.36 3jwv n LYS 469 Ca 0.00 -1.58 0.06 0.00 -2.02 0.00 0.00 58.31 54.77 3jwv n LYS 469 Cb 0.00 -1.32 0.15 0.00 -0.02 0.00 0.00 35.03 33.85 3jwv n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3jwv n HIS 470 N 0.90 0.00 -2.02 2.13 8.25 -1.26 -4.26 115.22 118.96 3jwv n HIS 470 Ca 0.10 -1.16 -0.41 0.00 -0.26 0.00 0.00 57.72 55.99 3jwv n HIS 470 Cb 0.41 -0.21 -0.02 0.00 1.12 0.00 0.00 29.99 31.29 3jwv n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3jwv s ASP 471 N -2.84 6.66 -0.08 0.41 1.11 -1.26 -3.71 116.67 116.96 3jwv s ASP 471 Ca 0.35 2.68 -0.23 0.00 0.18 0.00 0.00 52.55 55.53 3jwv s ASP 471 Cb 0.35 -2.63 -0.04 0.00 1.07 0.00 0.00 42.92 41.67 3jwv s ASP 471 CO -0.07 -0.69 0.69 -0.36 1.18 0.00 0.00 175.17 175.92 3jwv s PHE 472 N -0.16 3.55 0.00 4.23 0.40 -1.26 -1.33 117.98 123.42 3jwv s PHE 472 Ca 0.58 1.21 -0.00 0.00 -0.60 0.00 0.00 56.93 58.11 3jwv s PHE 472 Cb -0.42 -2.80 -0.00 0.00 0.51 0.00 0.00 43.02 40.31 3jwv s PHE 472 CO 0.45 0.06 0.00 1.03 0.70 0.00 0.00 175.22 177.46 3jwv s ARG 473 N 0.91 0.06 -0.23 0.44 1.81 0.03 -3.17 118.95 118.81 3jwv s ARG 473 Ca 0.36 -0.10 -0.16 0.00 -1.72 0.00 0.00 55.73 54.12 3jwv s ARG 473 Cb -0.17 0.02 -0.04 0.00 -0.45 0.00 0.00 34.95 34.31 3jwv s ARG 473 CO 0.17 -0.01 0.41 0.08 -0.68 0.00 0.00 175.30 175.27 3jwv s VAL 474 N -0.25 5.17 0.10 3.52 1.01 -1.26 -0.93 120.40 127.77 3jwv s VAL 474 Ca -0.03 0.70 0.10 0.00 0.00 0.00 0.00 61.98 62.75 3jwv s VAL 474 Cb -0.02 -3.74 -0.11 0.00 0.00 0.00 0.00 36.38 32.52 3jwv s VAL 474 CO -0.00 0.20 1.40 -0.50 0.00 0.00 0.00 175.10 176.20 3jwv h TRP 475 N 7.67 0.00 -4.09 5.22 4.06 -1.52 -3.43 115.95 123.86 3jwv h TRP 475 Ca -0.34 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.06 3jwv h TRP 475 Cb 1.16 0.00 0.15 0.00 -1.00 0.00 0.00 29.16 29.47 3jwv h TRP 475 CO 0.71 0.80 0.55 -0.80 -3.56 0.00 0.00 178.44 176.14 3jwv s ASN 476 N -6.67 4.86 0.14 -3.49 -0.87 -1.26 -4.93 114.94 102.72 3jwv s ASN 476 Ca 0.01 2.66 0.07 0.00 -1.57 0.00 0.00 52.86 54.03 3jwv s ASN 476 Cb 0.10 -2.62 -0.14 0.00 -0.02 0.00 0.00 41.25 38.57 3jwv s ASN 476 CO 0.79 -1.83 1.32 0.77 -2.57 0.00 0.00 177.10 175.57 3jwv h SER 477 N 0.88 0.02 -4.70 -1.22 4.64 -1.90 -3.35 113.55 107.92 3jwv h SER 477 Ca -0.51 -0.02 -0.28 0.00 -0.47 0.00 0.00 61.79 60.52 3jwv h SER 477 Cb 1.32 -0.01 -0.20 0.00 -0.31 0.00 0.00 62.40 63.21 3jwv h SER 477 CO 0.55 0.97 -0.73 -1.10 -0.87 0.00 0.00 176.83 175.64 3jwv s GLN 478 N -2.82 0.62 0.31 4.77 -0.21 -1.26 -1.45 119.66 119.61 3jwv s GLN 478 Ca 0.00 -0.90 0.00 0.00 0.02 0.00 0.00 55.36 54.49 3jwv s GLN 478 Cb 0.10 -0.32 0.52 0.00 1.00 0.00 0.00 33.01 34.31 3jwv s GLN 478 CO 0.82 0.05 1.95 -0.07 -2.12 0.00 0.00 175.29 175.92 3jwv h LEU 479 N 4.15 0.88 -7.93 2.90 3.38 -1.42 -3.40 115.31 113.86 3jwv h LEU 479 Ca -0.36 -0.01 -0.60 0.00 0.09 0.00 0.00 57.88 56.99 3jwv h LEU 479 Cb 1.19 -0.21 -0.36 0.00 0.09 0.00 0.00 40.66 41.38 3jwv h LEU 479 CO 0.46 0.61 -0.84 -0.63 0.09 0.00 0.00 178.44 178.13 3jwv s ILE 480 N -5.87 1.60 0.16 1.22 1.01 -1.26 -4.88 121.20 113.16 3jwv s ILE 480 Ca -0.11 -0.66 -0.19 0.00 0.00 0.00 0.00 60.65 59.69 3jwv s ILE 480 Cb 0.19 -1.48 0.05 0.00 0.01 0.00 0.00 42.46 41.22 3jwv s ILE 480 CO 0.79 0.46 0.51 -0.13 0.00 0.00 0.00 174.94 176.57 3jwv s ARG 481 N 1.36 1.23 0.02 2.79 0.52 -1.26 -4.86 118.95 118.75 3jwv s ARG 481 Ca 0.02 -0.66 -0.08 0.00 -0.52 0.00 0.00 55.73 54.50 3jwv s ARG 481 Cb -0.13 0.53 -0.05 0.00 0.52 0.00 0.00 34.95 35.82 3jwv s ARG 481 CO -0.09 -0.52 0.31 0.71 0.02 0.00 0.00 175.30 175.74 3jwv s TYR 482 N -3.80 3.59 0.69 -0.53 4.12 -1.26 -0.80 117.35 119.36 3jwv s TYR 482 Ca 0.04 0.67 -0.16 0.00 0.02 0.00 0.00 57.07 57.63 3jwv s TYR 482 Cb -0.00 -2.06 0.02 0.00 -1.52 0.00 0.00 41.96 38.40 3jwv s TYR 482 CO -0.10 0.59 1.19 0.00 0.02 0.00 0.00 175.55 177.25 3jwv s ALA 483 N -1.31 2.27 -0.08 3.71 0.00 0.43 -4.45 121.76 122.33 3jwv s ALA 483 Ca 0.28 0.85 0.01 0.00 0.00 0.00 0.00 51.96 53.10 3jwv s ALA 483 Cb -0.14 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.56 3jwv s ALA 483 CO 0.16 -1.63 -0.09 0.20 0.00 0.00 0.00 175.76 174.40 3jwv s GLY 484 N -2.04 0.74 -0.07 0.00 0.00 -1.22 -0.74 107.32 103.99 3jwv s GLY 484 Ca 0.74 -0.40 0.04 0.00 0.00 0.00 0.00 44.72 45.10 3jwv s GLY 484 CO 0.42 0.44 -0.21 -0.19 0.00 0.00 0.00 173.10 173.56 3jwv s TYR 485 N 1.11 2.17 0.24 1.90 1.51 -0.46 -3.93 117.35 119.89 3jwv s TYR 485 Ca -0.07 -0.75 -0.30 0.00 -1.01 0.00 0.00 57.07 54.95 3jwv s TYR 485 Cb -0.14 -1.45 -0.09 0.00 -0.11 0.00 0.00 41.96 40.16 3jwv s TYR 485 CO -0.01 -0.28 1.07 0.15 -1.11 0.00 0.00 175.55 175.36 3jwv s LYS 486 N 0.16 4.67 0.18 -0.62 1.02 -1.26 -1.60 119.74 122.30 3jwv s LYS 486 Ca -0.10 1.72 0.10 0.00 0.02 0.00 0.00 55.97 57.71 3jwv s LYS 486 Cb -0.15 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 33.89 3jwv s LYS 486 CO 0.05 0.24 -0.19 -0.65 -0.92 0.00 0.00 175.35 173.88 3jwv s GLN 487 N -1.10 1.72 0.30 1.68 -0.21 -1.03 -4.95 119.66 116.07 3jwv s GLN 487 Ca 0.45 -1.42 0.06 0.00 0.02 0.00 0.00 55.36 54.47 3jwv s GLN 487 Cb -0.30 -1.97 0.78 0.00 1.00 0.00 0.00 33.01 32.52 3jwv s GLN 487 CO 0.38 0.42 1.73 -1.35 -2.12 0.00 0.00 175.29 174.34 3jwv h PRO 488 N 3.13 0.54 -1.54 2.91 0.11 -1.97 0.49 132.00 135.68 3jwv h PRO 488 Ca -0.47 -0.03 0.45 0.00 0.11 0.00 0.00 66.00 66.06 3jwv h PRO 488 Cb 1.20 -0.12 -0.07 0.00 0.11 0.00 0.00 31.00 32.12 3jwv h PRO 488 CO 0.50 0.36 1.10 0.22 -0.21 0.00 0.00 178.00 179.97 3jwv h ASP 489 N 0.56 0.03 0.00 -2.05 -0.00 -2.03 -3.45 116.42 109.48 3jwv h ASP 489 Ca 0.59 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 57.63 3jwv h ASP 489 Cb 1.06 0.01 0.00 0.00 -0.00 0.00 0.00 39.33 40.40 3jwv h ASP 489 CO -0.46 -0.01 0.00 0.61 -0.00 0.00 0.00 179.24 179.38 3jwv n GLY 490 N -1.82 3.09 0.83 -0.78 0.00 0.17 -5.04 105.19 101.65 3jwv n GLY 490 Ca 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.30 3jwv n GLY 490 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jwv n SER 491 N 0.07 -0.28 -4.21 1.61 3.41 -1.26 -4.71 113.62 108.25 3jwv n SER 491 Ca 0.00 -1.00 -0.30 0.00 -0.26 0.00 0.00 58.87 57.32 3jwv n SER 491 Cb 0.00 -0.22 -0.16 0.00 -0.26 0.00 0.00 64.21 63.56 3jwv n SER 491 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3jwv s THR 492 N -1.59 1.83 -0.22 6.66 2.01 -1.26 -2.48 115.64 120.58 3jwv s THR 492 Ca 0.16 -0.93 -0.10 0.00 0.31 0.00 0.00 61.69 61.13 3jwv s THR 492 Cb -0.01 -1.55 -0.05 0.00 0.01 0.00 0.00 72.50 70.90 3jwv s THR 492 CO 0.12 0.51 0.14 -0.22 -0.69 0.00 0.00 174.62 174.48 3jwv s LEU 493 N -0.05 4.16 0.00 4.42 2.96 -0.62 -4.97 118.68 124.58 3jwv s LEU 493 Ca -0.05 0.17 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 3jwv s LEU 493 Cb -0.13 -2.09 0.00 0.00 0.50 0.00 0.00 46.19 44.46 3jwv s LEU 493 CO 0.04 0.13 0.00 0.61 -1.32 0.00 0.00 176.35 175.81 3jwv n GLY 494 N 3.85 0.04 3.52 7.98 0.00 -1.26 -1.35 105.19 117.97 3jwv n GLY 494 Ca -0.16 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 3jwv n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jwv s ASP 495 N -4.00 6.36 0.62 1.61 -1.08 0.08 -4.81 116.67 115.46 3jwv s ASP 495 Ca 0.00 -0.28 0.41 0.00 -0.52 0.00 0.00 52.55 52.16 3jwv s ASP 495 Cb 0.00 -2.38 2.13 0.00 -1.46 0.00 0.00 42.92 41.21 3jwv s ASP 495 CO 0.00 -0.98 2.25 -0.65 0.52 0.00 0.00 175.17 176.31 3jwv h PRO 496 N 9.05 0.00 0.00 4.34 0.11 -1.80 -2.21 132.00 141.49 3jwv h PRO 496 Ca -0.25 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 3jwv h PRO 496 Cb 1.08 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3jwv h PRO 496 CO 0.99 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.74 3jwv h ALA 497 N 2.00 1.10 -0.15 -0.75 0.00 -1.92 -3.14 119.26 116.40 3jwv h ALA 497 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3jwv h ALA 497 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3jwv h ALA 497 CO 0.00 0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.39 3jwv n ASN 498 N -3.29 3.23 0.14 0.00 3.02 -0.84 -4.69 115.26 112.85 3jwv n ASN 498 Ca -0.02 -3.01 -0.13 0.00 -0.03 0.00 0.00 54.58 51.39 3jwv n ASN 498 Cb 0.20 -0.49 -0.07 0.00 -0.61 0.00 0.00 39.78 38.81 3jwv n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3jwv h VAL 499 N 1.07 0.67 -0.55 2.41 2.07 -1.65 0.17 116.25 120.43 3jwv h VAL 499 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3jwv h VAL 499 Cb 1.24 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3jwv h VAL 499 CO 0.13 0.00 0.21 -0.61 0.02 0.00 0.00 177.57 177.32 3jwv h GLN 500 N -0.36 0.84 -0.50 1.57 4.15 -1.85 -1.73 115.11 117.23 3jwv h GLN 500 Ca -0.01 -0.16 -0.03 0.00 0.77 0.00 0.00 58.65 59.22 3jwv h GLN 500 Cb 0.32 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.86 3jwv h GLN 500 CO -0.01 0.73 0.18 0.35 -1.93 0.00 0.00 178.83 178.16 3jwv h PHE 501 N 0.76 0.79 -0.97 3.99 3.57 -1.85 -2.43 116.94 120.80 3jwv h PHE 501 Ca 0.18 -0.07 0.13 0.00 3.53 0.00 0.00 57.97 61.74 3jwv h PHE 501 Cb 0.22 -0.23 -0.09 0.00 2.79 0.00 0.00 35.95 38.64 3jwv h PHE 501 CO 0.01 0.67 0.59 1.15 -2.23 0.00 0.00 178.31 178.50 3jwv h THR 502 N 0.68 0.88 -0.37 4.41 2.02 -0.37 -1.41 112.91 118.75 3jwv h THR 502 Ca 0.17 -0.31 -0.13 0.00 0.77 0.00 0.00 66.41 66.90 3jwv h THR 502 Cb 0.23 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 3jwv h THR 502 CO -0.01 0.17 -0.29 -0.33 0.37 0.00 0.00 175.52 175.43 3jwv h GLU 503 N 0.92 0.78 -0.59 6.66 5.08 -0.98 -1.10 114.58 125.35 3jwv h GLU 503 Ca 0.49 -0.35 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3jwv h GLU 503 Cb 0.53 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 3jwv h GLU 503 CO -0.28 0.98 0.27 0.82 -1.00 0.00 0.00 179.01 179.79 3jwv h ILE 504 N 0.67 1.21 -0.15 3.13 2.04 -0.94 0.60 117.51 124.08 3jwv h ILE 504 Ca 0.08 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.34 3jwv h ILE 504 Cb 0.82 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 3jwv h ILE 504 CO 0.07 0.25 -0.04 0.00 0.00 0.00 0.00 178.15 178.43 3jwv h ILE 506 N -0.00 1.18 -0.66 0.00 2.04 -0.84 0.04 117.51 119.27 3jwv h ILE 506 Ca 0.07 -0.47 0.06 0.00 1.00 0.00 0.00 64.86 65.53 3jwv h ILE 506 Cb 0.11 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 3jwv h ILE 506 CO -0.16 0.20 0.44 -0.61 0.00 0.00 0.00 178.15 178.02 3jwv h GLN 507 N 0.74 0.66 0.00 2.37 4.15 0.55 -1.17 115.11 122.41 3jwv h GLN 507 Ca 0.19 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.57 3jwv h GLN 507 Cb 0.05 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.59 3jwv h GLN 507 CO -0.03 0.44 -0.09 1.04 -1.93 0.00 0.00 178.83 178.26 3jwv n GLN 508 N -4.48 0.23 0.00 1.69 1.13 0.15 -4.92 117.38 111.18 3jwv n GLN 508 Ca 0.09 0.17 0.00 0.00 -1.94 0.00 0.00 57.00 55.33 3jwv n GLN 508 Cb 0.22 -1.75 0.00 0.00 0.11 0.00 0.00 30.24 28.82 3jwv n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3jwv n GLY 509 N 1.34 0.44 3.75 1.08 0.00 -0.17 -4.97 105.19 106.66 3jwv n GLY 509 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3jwv n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3jwv s TRP 510 N -1.34 2.85 -0.54 1.61 -0.00 -0.22 -4.96 118.94 116.34 3jwv s TRP 510 Ca 0.00 0.92 -0.19 0.00 -0.00 0.00 0.00 56.10 56.83 3jwv s TRP 510 Cb 0.00 -3.96 0.07 0.00 -0.00 0.00 0.00 33.47 29.58 3jwv s TRP 510 CO 0.00 -3.15 0.68 0.15 -0.00 0.00 0.00 176.95 174.63 3jwv s LYS 511 N -0.61 3.10 0.05 5.86 1.02 -1.26 -4.47 119.74 123.43 3jwv s LYS 511 Ca 0.61 -1.01 -0.31 0.00 0.02 0.00 0.00 55.97 55.28 3jwv s LYS 511 Cb -0.45 -4.16 -0.06 0.00 -0.52 0.00 0.00 37.83 32.64 3jwv s LYS 511 CO 0.47 -1.37 1.24 0.00 -0.92 0.00 0.00 175.35 174.78 3jwv s ALA 512 N 2.76 3.44 -0.51 5.17 0.00 -1.26 -4.93 121.76 126.43 3jwv s ALA 512 Ca 0.15 0.87 0.23 0.00 0.00 0.00 0.00 51.96 53.20 3jwv s ALA 512 Cb -0.21 -3.48 0.96 0.00 0.00 0.00 0.00 23.12 20.40 3jwv s ALA 512 CO 0.10 -0.53 1.70 -2.30 0.00 0.00 0.00 175.76 174.73 3jwv n PRO 513 N 4.17 0.18 -3.67 0.00 -0.02 -1.26 -4.95 135.00 129.46 3jwv n PRO 513 Ca 0.10 0.41 -0.23 0.00 -2.02 0.00 0.00 63.50 61.76 3jwv n PRO 513 Cb 0.46 -1.85 0.04 0.00 -0.02 0.00 0.00 33.50 32.12 3jwv n PRO 513 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3jwv n ARG 514 N -2.20 -3.65 -3.50 -0.52 1.74 -1.26 -5.03 116.66 102.24 3jwv n ARG 514 Ca 0.02 0.59 -0.20 0.00 -0.77 0.00 0.00 57.85 57.50 3jwv n ARG 514 Cb 0.23 -4.96 -0.03 0.00 -1.02 0.00 0.00 32.46 26.68 3jwv n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jwv n GLY 515 N -1.59 3.43 0.07 -0.13 0.00 -1.26 -5.07 105.19 100.64 3jwv n GLY 515 Ca -0.23 -2.29 -0.06 0.00 0.00 0.00 0.00 46.02 43.43 3jwv n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3jwv h ARG 516 N 0.00 0.00 -2.10 1.61 2.43 -1.92 -3.39 114.38 111.01 3jwv h ARG 516 Ca -0.26 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.38 3jwv h ARG 516 Cb 0.84 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.99 3jwv h ARG 516 CO 0.43 0.96 -0.98 1.19 -1.51 0.00 0.00 179.97 180.05 3jwv n PHE 517 N -3.34 1.48 -3.25 2.20 3.01 -1.26 -4.11 117.46 112.18 3jwv n PHE 517 Ca 0.00 -3.86 -0.41 0.00 1.01 0.00 0.00 57.45 54.19 3jwv n PHE 517 Cb 0.92 -0.44 -0.08 0.00 -0.01 0.00 0.00 39.48 39.87 3jwv n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3jwv s ASP 518 N -2.59 6.32 0.09 4.37 1.01 -1.26 -4.91 116.67 119.70 3jwv s ASP 518 Ca 0.42 -0.00 -0.31 0.00 0.71 0.00 0.00 52.55 53.37 3jwv s ASP 518 Cb 0.29 -2.27 -0.09 0.00 1.01 0.00 0.00 42.92 41.86 3jwv s ASP 518 CO -0.10 -0.46 1.80 -0.69 0.21 0.00 0.00 175.17 175.93 3jwv s VAL 519 N 2.37 2.77 0.56 -1.27 1.01 -1.26 -0.43 120.40 124.16 3jwv s VAL 519 Ca 0.19 0.17 -0.19 0.00 0.00 0.00 0.00 61.98 62.15 3jwv s VAL 519 Cb -0.15 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 3jwv s VAL 519 CO 0.13 -0.00 1.16 -0.76 0.00 0.00 0.00 175.10 175.63 3jwv s LEU 520 N 3.05 3.72 0.93 3.92 1.43 0.02 -4.87 118.68 126.88 3jwv s LEU 520 Ca 0.80 2.26 -0.12 0.00 -1.03 0.00 0.00 54.13 56.04 3jwv s LEU 520 Cb -0.43 -4.59 0.15 0.00 0.03 0.00 0.00 46.19 41.35 3jwv s LEU 520 CO 0.36 -1.36 1.12 -2.16 0.23 0.00 0.00 176.35 174.54 3jwv s PRO 521 N -3.30 0.99 0.05 1.29 0.04 -1.26 -4.78 135.00 128.02 3jwv s PRO 521 Ca 0.75 0.39 -0.14 0.00 0.04 0.00 0.00 61.00 62.04 3jwv s PRO 521 Cb -0.26 -1.81 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 3jwv s PRO 521 CO 0.29 -2.32 0.44 -0.51 0.04 0.00 0.00 177.00 174.94 3jwv s LEU 522 N -6.15 4.43 -0.30 -3.56 1.43 0.66 -4.88 118.68 110.30 3jwv s LEU 522 Ca 0.64 0.96 0.03 0.00 -1.03 0.00 0.00 54.13 54.73 3jwv s LEU 522 Cb -0.16 -2.81 0.08 0.00 0.03 0.00 0.00 46.19 43.33 3jwv s LEU 522 CO 0.55 0.25 -0.02 -0.22 0.23 0.00 0.00 176.35 177.13 3jwv s LEU 523 N -1.42 3.98 -0.09 1.79 0.20 -1.26 -1.66 118.68 120.21 3jwv s LEU 523 Ca 0.29 -1.75 0.02 0.00 0.69 0.00 0.00 54.13 53.37 3jwv s LEU 523 Cb -0.16 -1.54 -0.02 0.00 -0.43 0.00 0.00 46.19 44.04 3jwv s LEU 523 CO 0.16 -0.29 -0.15 -0.76 -0.29 0.00 0.00 176.35 175.02 3jwv s LEU 524 N 1.04 2.66 -0.20 -0.68 1.43 -0.46 -1.30 118.68 121.17 3jwv s LEU 524 Ca 0.01 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 3jwv s LEU 524 Cb -0.19 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.48 3jwv s LEU 524 CO -0.07 0.24 -0.16 -1.58 0.23 0.00 0.00 176.35 175.01 3jwv s GLN 525 N -0.12 2.94 -0.10 1.70 0.74 -0.10 -0.35 119.66 124.36 3jwv s GLN 525 Ca -0.02 -0.88 -0.00 0.00 0.05 0.00 0.00 55.36 54.51 3jwv s GLN 525 Cb -0.14 -2.69 -0.03 0.00 1.10 0.00 0.00 33.01 31.26 3jwv s GLN 525 CO 0.04 -0.26 -0.08 0.00 -0.55 0.00 0.00 175.29 174.43 3jwv s ALA 526 N 1.29 2.88 -1.31 1.58 0.00 -1.26 -0.79 121.76 124.16 3jwv s ALA 526 Ca 0.03 -0.88 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 3jwv s ALA 526 Cb -0.14 -1.28 0.03 0.00 0.00 0.00 0.00 23.12 21.73 3jwv s ALA 526 CO -0.10 0.42 0.29 -1.71 0.00 0.00 0.00 175.76 174.66 3jwv n ASN 527 N 2.79 -4.50 0.00 0.00 4.05 -1.22 -1.04 115.26 115.34 3jwv n ASN 527 Ca -0.18 -0.12 0.00 0.00 0.45 0.00 0.00 54.58 54.73 3jwv n ASN 527 Cb 0.53 -3.73 0.00 0.00 1.23 0.00 0.00 39.78 37.80 3jwv n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3jwv n GLY 528 N -1.10 1.55 3.72 8.20 0.00 -0.44 -4.54 105.19 112.57 3jwv n GLY 528 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 3jwv n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jwv s ASN 529 N -3.27 3.15 0.44 1.61 0.01 -0.21 -4.91 114.94 111.76 3jwv s ASN 529 Ca 0.00 1.21 -0.25 0.00 -0.71 0.00 0.00 52.86 53.11 3jwv s ASN 529 Cb 0.00 -1.87 -0.08 0.00 0.41 0.00 0.00 41.25 39.71 3jwv s ASN 529 CO 0.00 -2.81 1.39 -1.81 -1.51 0.00 0.00 177.10 172.37 3jwv s ASP 530 N -3.61 5.97 0.64 -1.22 -0.00 -1.26 -4.47 116.67 112.73 3jwv s ASP 530 Ca 0.64 2.85 -0.11 0.00 -0.00 0.00 0.00 52.55 55.93 3jwv s ASP 530 Cb -0.17 -2.65 -0.02 0.00 -0.00 0.00 0.00 42.92 40.07 3jwv s ASP 530 CO 0.56 -1.10 1.04 -2.16 -0.00 0.00 0.00 175.17 173.51 3jwv s PRO 531 N -2.41 3.37 0.05 8.23 0.04 -1.26 -4.74 135.00 138.28 3jwv s PRO 531 Ca 0.60 0.85 0.07 0.00 0.04 0.00 0.00 61.00 62.57 3jwv s PRO 531 Cb -0.42 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 3jwv s PRO 531 CO 0.54 -0.76 -0.20 -1.21 0.04 0.00 0.00 177.00 175.41 3jwv s GLU 532 N -5.03 1.32 0.32 4.56 2.02 0.53 -4.83 118.70 117.59 3jwv s GLU 532 Ca 0.57 -0.96 -0.20 0.00 0.02 0.00 0.00 54.97 54.39 3jwv s GLU 532 Cb -0.12 -1.45 -0.09 0.00 0.10 0.00 0.00 34.13 32.56 3jwv s GLU 532 CO 0.52 0.36 0.84 -0.51 0.02 0.00 0.00 175.26 176.49 3jwv s LEU 533 N -1.29 4.17 -0.21 1.80 1.43 -1.26 -1.35 118.68 121.97 3jwv s LEU 533 Ca 0.07 1.55 -0.10 0.00 -1.03 0.00 0.00 54.13 54.62 3jwv s LEU 533 Cb -0.09 -4.05 0.08 0.00 0.03 0.00 0.00 46.19 42.16 3jwv s LEU 533 CO 0.02 -0.15 0.49 -0.36 0.23 0.00 0.00 176.35 176.58 3jwv s PHE 534 N -1.82 -0.82 -0.21 0.29 0.40 -0.67 -4.96 117.98 110.19 3jwv s PHE 534 Ca 0.52 1.62 -0.29 0.00 -0.60 0.00 0.00 56.93 58.18 3jwv s PHE 534 Cb -0.14 0.40 0.01 0.00 0.51 0.00 0.00 43.02 43.80 3jwv s PHE 534 CO 0.19 -0.45 1.03 -1.14 0.70 0.00 0.00 175.22 175.54 3jwv s GLN 535 N 1.98 4.28 0.20 0.44 2.00 -1.26 -0.25 119.66 127.05 3jwv s GLN 535 Ca -0.07 1.35 -0.32 0.00 -2.00 0.00 0.00 55.36 54.32 3jwv s GLN 535 Cb -0.09 -3.63 -0.12 0.00 0.80 0.00 0.00 33.01 29.96 3jwv s GLN 535 CO -0.15 -0.59 1.70 -0.89 -0.50 0.00 0.00 175.29 174.86 3jwv n ILE 536 N 5.22 0.01 -1.69 -2.34 5.41 -1.26 -4.89 119.36 119.82 3jwv n ILE 536 Ca 0.11 -0.00 -0.53 0.00 1.00 0.00 0.00 62.75 63.33 3jwv n ILE 536 Cb 0.46 -1.89 -0.06 0.00 -0.71 0.00 0.00 39.64 37.44 3jwv n ILE 536 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3jwv n PRO 537 N 3.88 1.62 -0.35 0.38 -0.02 -1.26 -4.82 135.00 134.44 3jwv n PRO 537 Ca 0.16 0.59 0.15 0.00 -2.02 0.00 0.00 63.50 62.38 3jwv n PRO 537 Cb 0.34 -2.34 0.34 0.00 -0.02 0.00 0.00 33.50 31.82 3jwv n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3jwv h PRO 538 N 7.75 0.66 0.00 0.52 0.11 -1.95 0.63 132.00 139.73 3jwv h PRO 538 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3jwv h PRO 538 Cb 1.30 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3jwv h PRO 538 CO 0.94 0.43 0.00 1.05 -0.21 0.00 0.00 178.00 180.21 3jwv h GLU 539 N 0.68 0.00 0.00 1.05 9.09 -2.03 -0.52 114.58 122.84 3jwv h GLU 539 Ca 0.60 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.01 3jwv h GLU 539 Cb 1.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.13 3jwv h GLU 539 CO -0.43 0.00 -0.58 1.28 0.05 0.00 0.00 179.01 179.33 3jwv n LEU 540 N -2.41 0.56 -4.32 3.06 4.77 0.22 -4.74 117.00 114.14 3jwv n LEU 540 Ca -0.01 0.05 -0.46 0.00 -0.03 0.00 0.00 56.01 55.56 3jwv n LEU 540 Cb 0.07 -0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 40.90 3jwv n LEU 540 CO 0.13 0.07 0.24 -0.69 -1.33 0.00 0.00 177.39 175.81 3jwv s VAL 541 N -3.06 5.27 -0.11 4.08 1.01 -0.21 -4.77 120.40 122.62 3jwv s VAL 541 Ca 0.09 -1.70 -0.30 0.00 0.00 0.00 0.00 61.98 60.08 3jwv s VAL 541 Cb 0.16 -4.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.13 3jwv s VAL 541 CO 0.71 -0.93 1.24 -0.22 0.00 0.00 0.00 175.10 175.90 3jwv s LEU 542 N 1.35 4.23 0.17 3.92 2.96 -1.26 -5.00 118.68 125.05 3jwv s LEU 542 Ca 0.08 1.77 0.11 0.00 -0.22 0.00 0.00 54.13 55.86 3jwv s LEU 542 Cb -0.25 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.85 3jwv s LEU 542 CO 0.00 -0.68 -0.22 -1.61 -1.32 0.00 0.00 176.35 172.52 3jwv s GLU 543 N 2.88 1.59 -0.21 1.98 2.02 -1.26 -0.53 118.70 125.17 3jwv s GLU 543 Ca 0.56 -1.42 0.02 0.00 0.02 0.00 0.00 54.97 54.15 3jwv s GLU 543 Cb -0.24 -1.93 0.03 0.00 0.10 0.00 0.00 34.13 32.10 3jwv s GLU 543 CO 0.19 0.42 -0.17 0.08 0.02 0.00 0.00 175.26 175.80 3jwv s VAL 544 N -1.48 2.11 0.25 2.63 1.01 0.94 -4.91 120.40 120.95 3jwv s VAL 544 Ca 0.19 -1.17 -0.30 0.00 0.00 0.00 0.00 61.98 60.71 3jwv s VAL 544 Cb -0.09 -2.01 -0.09 0.00 0.00 0.00 0.00 36.38 34.19 3jwv s VAL 544 CO 0.10 0.35 1.32 -2.84 0.00 0.00 0.00 175.10 174.02 3jwv s PRO 545 N 1.23 4.37 -0.33 2.72 0.02 -1.26 -1.70 135.00 140.05 3jwv s PRO 545 Ca 0.00 2.13 -0.13 0.00 0.02 0.00 0.00 61.00 63.03 3jwv s PRO 545 Cb -0.15 -3.14 -0.02 0.00 0.02 0.00 0.00 34.50 31.20 3jwv s PRO 545 CO -0.10 -0.24 0.24 0.42 -0.33 0.00 0.00 177.00 176.99 3jwv s ILE 546 N -0.32 5.28 0.27 2.83 -1.09 -0.48 -4.82 121.20 122.87 3jwv s ILE 546 Ca 0.54 -0.10 0.04 0.00 -2.23 0.00 0.00 60.65 58.91 3jwv s ILE 546 Cb -0.38 -3.69 -0.06 0.00 -1.58 0.00 0.00 42.46 36.76 3jwv s ILE 546 CO 0.43 0.04 0.01 0.00 -1.23 0.00 0.00 174.94 174.20 3jwv s ARG 547 N 1.76 1.49 -0.07 2.79 3.03 -1.26 -3.95 118.95 122.75 3jwv s ARG 547 Ca 0.07 -1.79 0.03 0.00 2.03 0.00 0.00 55.73 56.07 3jwv s ARG 547 Cb -0.17 -0.79 -0.02 0.00 -1.03 0.00 0.00 34.95 32.94 3jwv s ARG 547 CO 0.11 -0.11 -0.15 -1.58 -1.13 0.00 0.00 175.30 172.44 3jwv s HIS 548 N -3.32 2.71 0.47 5.89 2.46 -1.26 -4.42 115.29 117.82 3jwv s HIS 548 Ca 0.32 -0.32 0.16 0.00 0.47 0.00 0.00 55.06 55.69 3jwv s HIS 548 Cb 0.06 -1.68 1.12 0.00 -0.13 0.00 0.00 32.58 31.96 3jwv s HIS 548 CO 0.12 0.06 2.04 -1.00 -2.47 0.00 0.00 174.74 173.49 3jwv h PRO 549 N 5.73 0.00 0.01 2.88 0.13 -1.92 -3.25 132.00 135.58 3jwv h PRO 549 Ca -0.40 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.31 3jwv h PRO 549 Cb 1.17 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.23 3jwv h PRO 549 CO 0.51 0.14 -2.41 1.63 -0.23 0.00 0.00 178.00 177.64 3jwv n LYS 550 N -4.29 0.63 -3.06 0.86 5.02 -1.26 -4.95 118.16 111.11 3jwv n LYS 550 Ca -0.03 0.23 -0.43 0.00 -2.02 0.00 0.00 58.31 56.06 3jwv n LYS 550 Cb 0.21 -1.53 -0.06 0.00 -0.02 0.00 0.00 35.03 33.63 3jwv n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3jwv s PHE 551 N -2.51 2.96 0.22 2.13 2.99 -1.23 -4.94 117.98 117.61 3jwv s PHE 551 Ca -0.36 -0.41 -0.08 0.00 0.00 0.00 0.00 56.93 56.09 3jwv s PHE 551 Cb 0.11 -3.73 0.35 0.00 0.00 0.00 0.00 43.02 39.76 3jwv s PHE 551 CO 0.56 -1.15 1.70 -0.44 -0.00 0.00 0.00 175.22 175.89 3jwv h ASP 552 N 9.11 0.01 0.46 1.36 3.32 -1.93 -2.60 116.42 126.14 3jwv h ASP 552 Ca -0.27 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.90 3jwv h ASP 552 Cb 1.09 0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3jwv h ASP 552 CO 1.01 -0.00 0.00 4.11 -1.72 0.00 0.00 179.24 182.64 3jwv h TRP 553 N 0.27 0.00 -0.39 4.55 5.08 -1.95 -3.32 115.95 120.19 3jwv h TRP 553 Ca 0.35 0.00 0.07 0.00 1.08 0.00 0.00 58.89 60.39 3jwv h TRP 553 Cb 0.55 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.65 3jwv h TRP 553 CO -0.25 0.00 0.00 0.35 -1.28 0.00 0.00 178.44 177.26 3jwv h PHE 554 N 0.00 -0.01 -1.18 0.12 3.57 -1.83 -1.82 116.94 115.78 3jwv h PHE 554 Ca 0.00 0.03 0.34 0.00 3.53 0.00 0.00 57.97 61.87 3jwv h PHE 554 Cb 0.23 0.07 -0.10 0.00 2.79 0.00 0.00 35.95 38.93 3jwv h PHE 554 CO 0.00 -0.07 0.78 1.57 -2.23 0.00 0.00 178.31 178.36 3jwv h LYS 555 N 0.11 0.22 0.00 1.11 2.10 -1.68 -1.66 116.57 116.76 3jwv h LYS 555 Ca 0.19 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.83 3jwv h LYS 555 Cb 0.27 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 3jwv h LYS 555 CO -0.32 0.14 0.00 -0.25 -2.00 0.00 0.00 179.45 177.03 3jwv n ASP 556 N -4.58 0.00 0.00 7.07 8.00 -0.68 -2.60 116.55 123.76 3jwv n ASP 556 Ca 0.30 -0.53 0.08 0.00 0.71 0.00 0.00 54.79 55.36 3jwv n ASP 556 Cb 1.15 -0.09 0.37 0.00 -0.02 0.00 0.00 41.12 42.53 3jwv n ASP 556 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3jwv n LEU 557 N -1.09 0.00 -0.47 0.64 4.77 -0.62 -4.91 117.00 115.31 3jwv n LEU 557 Ca 0.16 0.49 -0.05 0.00 -0.03 0.00 0.00 56.01 56.57 3jwv n LEU 557 Cb 0.12 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.70 3jwv n LEU 557 CO 0.15 -0.20 -0.06 0.61 -1.33 0.00 0.00 177.39 176.56 3jwv n GLY 558 N 0.26 0.65 3.82 -0.72 0.00 -1.07 -5.01 105.19 103.12 3jwv n GLY 558 Ca 0.04 -0.78 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 3jwv n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jwv s LEU 559 N -1.32 4.44 0.14 0.99 1.43 -1.26 -5.03 118.68 118.07 3jwv s LEU 559 Ca 0.00 1.19 -0.12 0.00 -1.03 0.00 0.00 54.13 54.17 3jwv s LEU 559 Cb 0.00 -3.07 0.01 0.00 0.03 0.00 0.00 46.19 43.16 3jwv s LEU 559 CO 0.00 0.20 0.33 -1.59 0.23 0.00 0.00 176.35 175.51 3jwv s LYS 560 N -1.49 1.09 0.18 1.70 -2.85 -1.26 -1.39 119.74 115.72 3jwv s LYS 560 Ca 0.33 -0.96 -0.04 0.00 -1.00 0.00 0.00 55.97 54.31 3jwv s LYS 560 Cb -0.17 0.41 -0.03 0.00 -2.06 0.00 0.00 37.83 35.98 3jwv s LYS 560 CO 0.19 -0.41 0.17 -0.46 0.10 0.00 0.00 175.35 174.94 3jwv s TRP 561 N -3.89 0.85 0.21 1.78 -0.11 -0.69 -4.95 118.94 112.15 3jwv s TRP 561 Ca 0.09 -1.16 -0.10 0.00 1.22 0.00 0.00 56.10 56.15 3jwv s TRP 561 Cb 0.03 -0.37 -0.07 0.00 -1.50 0.00 0.00 33.47 31.56 3jwv s TRP 561 CO -0.06 -0.65 0.54 1.52 -4.62 0.00 0.00 176.95 173.67 3jwv s TYR 562 N -4.08 3.46 -0.10 5.86 -0.85 -1.26 -0.04 117.35 120.34 3jwv s TYR 562 Ca 0.29 0.89 0.19 0.00 -0.52 0.00 0.00 57.07 57.92 3jwv s TYR 562 Cb 0.06 -2.26 0.41 0.00 0.38 0.00 0.00 41.96 40.54 3jwv s TYR 562 CO 0.06 0.31 1.60 0.78 -1.52 0.00 0.00 175.55 176.79 3jwv h GLY 563 N 2.77 0.00 -7.57 5.49 0.00 -1.16 -3.45 103.07 99.15 3jwv h GLY 563 Ca -0.47 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.15 3jwv h GLY 563 CO 0.69 0.00 -0.53 -2.27 0.00 0.00 0.00 176.54 174.42 3jwv s LEU 564 N -6.53 4.74 -0.23 3.11 2.96 -1.26 -4.54 118.68 116.93 3jwv s LEU 564 Ca 0.03 -1.27 -0.24 0.00 -0.22 0.00 0.00 54.13 52.43 3jwv s LEU 564 Cb 0.08 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 3jwv s LEU 564 CO 0.69 -0.42 0.81 -2.16 -1.32 0.00 0.00 176.35 173.95 3jwv s PRO 565 N 1.43 4.19 -0.33 0.98 0.04 -1.26 -4.72 135.00 135.34 3jwv s PRO 565 Ca 0.01 0.91 0.00 0.00 0.04 0.00 0.00 61.00 61.97 3jwv s PRO 565 Cb -0.21 -3.63 0.14 0.00 0.04 0.00 0.00 34.50 30.83 3jwv s PRO 565 CO 0.03 -0.48 0.28 0.00 0.04 0.00 0.00 177.00 176.87 3jwv s ALA 566 N 2.70 -0.02 -0.03 8.56 0.00 -1.26 -2.64 121.76 129.07 3jwv s ALA 566 Ca 0.34 -0.94 -0.30 0.00 0.00 0.00 0.00 51.96 51.06 3jwv s ALA 566 Cb -0.15 -1.77 -0.05 0.00 0.00 0.00 0.00 23.12 21.14 3jwv s ALA 566 CO 0.08 -1.91 1.36 0.08 0.00 0.00 0.00 175.76 175.37 3jwv s VAL 567 N 1.79 3.87 0.00 0.00 1.01 0.62 -1.06 120.40 126.62 3jwv s VAL 567 Ca 0.13 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.32 3jwv s VAL 567 Cb -0.16 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.44 3jwv s VAL 567 CO -0.18 -0.02 0.61 -1.54 0.00 0.00 0.00 175.10 173.97 3jwv n SER 568 N 5.57 1.15 -0.72 3.32 3.41 -0.53 -1.09 113.62 124.73 3jwv n SER 568 Ca 0.13 -1.32 0.07 0.00 -0.26 0.00 0.00 58.87 57.48 3jwv n SER 568 Cb 0.44 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.55 3jwv n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3jwv n ASN 569 N -0.16 2.94 -4.94 4.04 2.04 -1.22 -4.40 115.26 113.55 3jwv n ASN 569 Ca 0.00 -1.93 -0.22 0.00 -0.44 0.00 0.00 54.58 52.00 3jwv n ASN 569 Cb 0.14 -0.23 0.05 0.00 -2.53 0.00 0.00 39.78 37.21 3jwv n ASN 569 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 3jwv s MET 570 N -1.02 2.43 -0.12 -3.83 -1.94 -1.26 -4.37 119.30 109.19 3jwv s MET 570 Ca 0.26 -0.79 0.02 0.00 -1.71 0.00 0.00 55.69 53.47 3jwv s MET 570 Cb 0.14 -2.45 -0.00 0.00 2.01 0.00 0.00 34.83 34.52 3jwv s MET 570 CO 0.18 -0.82 -0.19 -1.17 -0.01 0.00 0.00 175.02 173.01 3jwv s LEU 571 N -4.83 2.33 -0.28 -0.03 0.20 0.35 -4.40 118.68 112.02 3jwv s LEU 571 Ca 0.58 -0.48 -0.12 0.00 0.69 0.00 0.00 54.13 54.80 3jwv s LEU 571 Cb -0.10 -1.49 -0.05 0.00 -0.43 0.00 0.00 46.19 44.12 3jwv s LEU 571 CO 0.39 0.14 0.22 -0.22 -0.29 0.00 0.00 176.35 176.59 3jwv s LEU 572 N 0.46 4.03 -0.23 -0.68 2.96 -0.47 -0.53 118.68 124.22 3jwv s LEU 572 Ca -0.13 0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 53.78 3jwv s LEU 572 Cb -0.17 -2.17 -0.01 0.00 0.50 0.00 0.00 46.19 44.35 3jwv s LEU 572 CO 0.06 -0.06 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.30 3jwv s GLU 573 N 1.77 3.34 -0.10 1.98 2.12 -0.30 -0.45 118.70 127.05 3jwv s GLU 573 Ca 0.08 -0.66 -0.00 0.00 0.36 0.00 0.00 54.97 54.75 3jwv s GLU 573 Cb -0.16 -3.06 0.02 0.00 0.26 0.00 0.00 34.13 31.19 3jwv s GLU 573 CO 0.11 -0.23 -0.07 0.42 -0.54 0.00 0.00 175.26 174.94 3jwv s ILE 574 N 1.48 0.97 -1.50 -3.70 1.01 -0.64 -2.04 121.20 116.78 3jwv s ILE 574 Ca 0.05 -0.26 -0.06 0.00 0.00 0.00 0.00 60.65 60.37 3jwv s ILE 574 Cb -0.15 -0.99 0.05 0.00 0.01 0.00 0.00 42.46 41.38 3jwv s ILE 574 CO -0.02 0.36 0.56 0.61 0.00 0.00 0.00 174.94 176.44 3jwv n GLY 575 N 4.85 -0.30 3.27 6.18 0.00 -1.26 -0.57 105.19 117.36 3jwv n GLY 575 Ca -0.13 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3jwv n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwv n GLY 576 N -1.80 1.57 3.82 -0.02 0.00 -1.26 -3.64 105.19 103.85 3jwv n GLY 576 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 3jwv n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jwv s LEU 577 N 0.00 4.48 -0.21 0.99 1.43 0.26 -5.01 118.68 120.62 3jwv s LEU 577 Ca 0.00 1.06 -0.02 0.00 -1.03 0.00 0.00 54.13 54.14 3jwv s LEU 577 Cb 0.00 -2.71 0.00 0.00 0.03 0.00 0.00 46.19 43.52 3jwv s LEU 577 CO 0.00 0.28 -0.10 -1.61 0.23 0.00 0.00 176.35 175.15 3jwv s GLU 578 N -0.93 3.22 -0.48 1.70 2.02 -1.26 -1.62 118.70 121.34 3jwv s GLU 578 Ca 0.26 -0.71 -0.07 0.00 0.02 0.00 0.00 54.97 54.47 3jwv s GLU 578 Cb -0.18 -2.86 0.12 0.00 0.10 0.00 0.00 34.13 31.32 3jwv s GLU 578 CO 0.15 -0.21 0.33 -0.06 0.02 0.00 0.00 175.26 175.49 3jwv s PHE 579 N 1.41 3.49 -0.84 1.61 0.40 0.40 0.47 117.98 124.92 3jwv s PHE 579 Ca 0.05 -2.14 0.27 0.00 -0.60 0.00 0.00 56.93 54.51 3jwv s PHE 579 Cb -0.14 -3.40 0.91 0.00 0.51 0.00 0.00 43.02 40.90 3jwv s PHE 579 CO -0.07 -0.97 1.77 -1.13 0.70 0.00 0.00 175.22 175.52 3jwv n SER 580 N 4.63 0.48 -3.86 1.36 3.41 -1.26 -1.36 113.62 117.01 3jwv n SER 580 Ca -0.04 0.46 -0.29 0.00 -0.26 0.00 0.00 58.87 58.74 3jwv n SER 580 Cb 0.41 -0.54 -0.16 0.00 -0.26 0.00 0.00 64.21 63.66 3jwv n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jwv s ALA 581 N -3.06 1.59 -0.40 7.33 0.00 -1.19 -4.65 121.76 121.38 3jwv s ALA 581 Ca 0.12 -1.09 0.10 0.00 0.00 0.00 0.00 51.96 51.09 3jwv s ALA 581 Cb 0.15 -1.32 0.37 0.00 0.00 0.00 0.00 23.12 22.32 3jwv s ALA 581 CO 0.59 -1.16 1.05 0.00 0.00 0.00 0.00 175.76 176.24 3jwv n PRO 583 N 0.06 2.05 -4.27 0.00 -0.04 -1.18 -4.62 135.00 126.99 3jwv n PRO 583 Ca 0.09 0.73 -0.16 0.00 -0.04 0.00 0.00 63.50 64.13 3jwv n PRO 583 Cb 0.74 -2.45 -0.10 0.00 -0.04 0.00 0.00 33.50 31.65 3jwv n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3jwv s PHE 584 N 0.47 1.41 -0.02 0.54 -0.12 -0.25 -1.24 117.98 118.78 3jwv s PHE 584 Ca 0.74 -0.66 -0.17 0.00 -0.05 0.00 0.00 56.93 56.79 3jwv s PHE 584 Cb -0.68 -0.70 0.03 0.00 -0.63 0.00 0.00 43.02 41.04 3jwv s PHE 584 CO 0.43 0.17 0.37 -1.54 -0.05 0.00 0.00 175.22 174.60 3jwv s SER 585 N -3.02 -0.26 0.00 1.98 1.04 -0.39 -0.28 113.70 112.76 3jwv s SER 585 Ca 0.16 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.76 3jwv s SER 585 Cb -0.00 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.47 3jwv s SER 585 CO 0.03 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.37 3jwv n GLY 586 N 1.17 3.76 3.27 7.32 0.00 -1.08 -2.15 105.19 117.49 3jwv n GLY 586 Ca -0.21 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 3jwv n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3jwv s TRP 587 N 2.85 0.10 0.42 1.61 -2.14 -1.26 -4.58 118.94 115.94 3jwv s TRP 587 Ca 0.00 -0.49 -0.22 0.00 2.66 0.00 0.00 56.10 58.05 3jwv s TRP 587 Cb 0.00 0.04 -0.09 0.00 -3.10 0.00 0.00 33.47 30.31 3jwv s TRP 587 CO 0.00 -0.63 1.01 0.71 -2.66 0.00 0.00 176.95 175.37 3jwv s TYR 588 N -3.87 3.26 -0.03 1.66 1.51 -1.26 -4.91 117.35 113.71 3jwv s TYR 588 Ca 0.07 1.64 -0.17 0.00 -1.01 0.00 0.00 57.07 57.60 3jwv s TYR 588 Cb 0.04 -3.01 -0.05 0.00 -0.11 0.00 0.00 41.96 38.82 3jwv s TYR 588 CO -0.09 -0.44 0.47 1.41 -1.11 0.00 0.00 175.55 175.80 3jwv s MET 589 N -2.81 4.14 0.30 -0.62 -2.45 -1.26 -1.11 119.30 115.49 3jwv s MET 589 Ca 0.60 0.50 0.05 0.00 -1.25 0.00 0.00 55.69 55.60 3jwv s MET 589 Cb -0.17 -3.31 0.71 0.00 1.25 0.00 0.00 34.83 33.31 3jwv s MET 589 CO 0.21 0.48 1.79 0.78 1.05 0.00 0.00 175.02 179.33 3jwv h GLY 590 N 5.42 1.77 2.00 2.11 0.00 -0.83 -1.70 103.07 111.85 3jwv h GLY 590 Ca -0.47 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 46.47 3jwv h GLY 590 CO 0.67 -0.03 -0.07 -0.91 0.00 0.00 0.00 176.54 176.21 3jwv h THR 591 N 0.81 0.91 -0.81 4.70 1.35 -1.93 -0.67 112.91 117.25 3jwv h THR 591 Ca 0.57 -0.23 0.07 0.00 -0.55 0.00 0.00 66.41 66.26 3jwv h THR 591 Cb 0.83 1.13 -0.06 0.00 -1.73 0.00 0.00 68.15 68.32 3jwv h THR 591 CO -0.36 0.06 0.49 -0.33 -0.25 0.00 0.00 175.52 175.13 3jwv h GLU 592 N 0.00 0.85 0.00 4.72 5.08 -1.71 0.65 114.58 124.17 3jwv h GLU 592 Ca -0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3jwv h GLU 592 Cb 0.13 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3jwv h GLU 592 CO 0.01 0.56 -0.15 0.82 -1.00 0.00 0.00 179.01 179.25 3jwv h ILE 593 N 0.88 0.46 -0.10 3.13 2.04 -1.62 -1.63 117.51 120.66 3jwv h ILE 593 Ca 0.36 -1.38 -0.13 0.00 1.00 0.00 0.00 64.86 64.72 3jwv h ILE 593 Cb 0.21 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3jwv h ILE 593 CO -0.19 0.16 -0.52 1.23 0.00 0.00 0.00 178.15 178.83 3jwv h GLY 594 N -1.00 0.31 0.00 5.37 0.00 -1.14 -0.79 103.07 105.82 3jwv h GLY 594 Ca -0.02 -0.35 -0.13 0.00 0.00 0.00 0.00 47.33 46.83 3jwv h GLY 594 CO -0.01 0.31 -0.98 -0.62 0.00 0.00 0.00 176.54 175.24 3jwv n VAL 595 N -3.94 1.48 -0.06 4.60 0.31 0.18 -4.12 118.33 116.78 3jwv n VAL 595 Ca -0.02 0.07 -0.06 0.00 -0.01 0.00 0.00 64.34 64.33 3jwv n VAL 595 Cb 0.56 -2.21 -0.05 0.00 -0.91 0.00 0.00 33.84 31.23 3jwv n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3jwv h ARG 596 N -1.00 0.00 -0.64 5.55 2.47 -1.45 -2.13 114.38 117.19 3jwv h ARG 596 Ca -0.20 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.45 3jwv h ARG 596 Cb 0.95 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.24 3jwv h ARG 596 CO -0.12 0.40 0.09 -0.44 0.56 0.00 0.00 179.97 180.46 3jwv h ASP 597 N -1.00 1.03 0.39 7.04 3.32 -0.96 -2.58 116.42 123.65 3jwv h ASP 597 Ca -0.00 -0.27 -0.31 0.00 0.02 0.00 0.00 57.03 56.47 3jwv h ASP 597 Cb 0.41 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3jwv h ASP 597 CO -0.00 1.03 -1.73 1.88 -1.72 0.00 0.00 179.24 178.70 3jwv h TYR 598 N 0.98 0.23 0.00 4.55 0.99 -1.33 -1.74 116.97 120.66 3jwv h TYR 598 Ca 0.19 -0.17 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3jwv h TYR 598 Cb 0.45 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.17 3jwv h TYR 598 CO 0.03 1.31 -1.14 0.00 -0.00 0.00 0.00 178.16 178.36 3jwv n ASP 600 N -1.66 1.72 -0.34 0.00 9.92 -0.97 -4.58 116.55 120.64 3jwv n ASP 600 Ca -0.01 1.14 0.13 0.00 -0.53 0.00 0.00 54.79 55.53 3jwv n ASP 600 Cb 0.24 -1.27 0.33 0.00 -0.64 0.00 0.00 41.12 39.77 3jwv n ASP 600 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 3jwv h ASN 601 N 3.58 0.69 -0.26 -2.24 -0.73 -1.93 -1.03 115.58 113.65 3jwv h ASN 601 Ca -0.44 0.11 0.00 0.00 1.87 0.00 0.00 56.30 57.85 3jwv h ASN 601 Cb 1.32 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.91 3jwv h ASN 601 CO 0.71 0.20 0.00 -1.54 -0.37 0.00 0.00 177.43 176.43 3jwv n SER 602 N -4.84 1.72 0.00 1.15 3.41 -1.26 -4.65 113.62 109.15 3jwv n SER 602 Ca 0.23 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.98 3jwv n SER 602 Cb 0.61 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3jwv n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3jwv n ARG 603 N 0.39 0.05 0.22 4.33 5.12 -0.40 -4.34 116.66 122.04 3jwv n ARG 603 Ca 0.13 0.00 0.11 0.00 -1.93 0.00 0.00 57.85 56.16 3jwv n ARG 603 Cb 0.30 0.00 0.38 0.00 -1.16 0.00 0.00 32.46 31.98 3jwv n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3jwv h TYR 604 N 0.00 0.00 -6.14 -1.55 -1.99 -1.46 -3.41 116.97 102.41 3jwv h TYR 604 Ca 0.00 0.00 -0.43 0.00 2.00 0.00 0.00 58.73 60.30 3jwv h TYR 604 Cb 0.00 0.00 0.04 0.00 2.00 0.00 0.00 36.73 38.77 3jwv h TYR 604 CO 0.00 0.17 -0.84 -1.71 -0.00 0.00 0.00 178.16 175.78 3jwv n ASN 605 N -3.24 -1.23 -0.73 3.88 4.05 0.52 -4.89 115.26 113.62 3jwv n ASN 605 Ca 0.01 -0.85 0.12 0.00 0.45 0.00 0.00 54.58 54.31 3jwv n ASN 605 Cb 0.47 -3.91 0.33 0.00 1.23 0.00 0.00 39.78 37.90 3jwv n ASN 605 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3jwv n ILE 606 N -4.27 0.21 0.02 -1.44 -5.35 -0.35 -4.48 119.36 103.70 3jwv n ILE 606 Ca -0.29 -0.44 -0.11 0.00 -0.27 0.00 0.00 62.75 61.64 3jwv n ILE 606 Cb 0.68 0.69 -0.06 0.00 -1.74 0.00 0.00 39.64 39.21 3jwv n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3jwv h LEU 607 N 3.10 -0.07 -0.67 7.28 3.38 -1.88 -1.53 115.31 124.92 3jwv h LEU 607 Ca 0.00 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.10 3jwv h LEU 607 Cb 0.67 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.38 3jwv h LEU 607 CO 0.00 -0.03 0.24 -0.33 0.09 0.00 0.00 178.44 178.41 3jwv h GLU 608 N -0.01 0.39 -0.61 1.13 5.08 -1.99 -0.74 114.58 117.82 3jwv h GLU 608 Ca 0.03 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3jwv h GLU 608 Cb 0.05 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3jwv h GLU 608 CO -0.06 0.26 0.10 0.93 -1.00 0.00 0.00 179.01 179.24 3jwv h GLU 609 N 0.40 1.01 -0.25 2.33 4.39 -1.70 -2.60 114.58 118.16 3jwv h GLU 609 Ca 0.35 -0.27 -0.13 0.00 0.34 0.00 0.00 59.36 59.65 3jwv h GLU 609 Cb 0.49 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.01 3jwv h GLU 609 CO -0.36 0.94 -0.34 0.28 -1.16 0.00 0.00 179.01 178.38 3jwv h VAL 610 N 0.92 1.31 -0.58 3.13 2.07 -0.84 -2.65 116.25 119.62 3jwv h VAL 610 Ca 0.19 -1.53 0.01 0.00 0.82 0.00 0.00 66.70 66.19 3jwv h VAL 610 Cb 0.42 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 3jwv h VAL 610 CO 0.01 0.48 0.38 0.00 0.02 0.00 0.00 177.57 178.47 3jwv h ALA 611 N 0.67 1.60 -0.38 1.67 0.00 -1.16 -1.68 119.26 119.97 3jwv h ALA 611 Ca 0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3jwv h ALA 611 Cb 0.92 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3jwv h ALA 611 CO 0.08 0.37 0.14 0.87 0.00 0.00 0.00 179.25 180.71 3jwv h LYS 612 N 0.77 0.57 -0.09 0.00 1.57 -1.30 -2.58 116.57 115.52 3jwv h LYS 612 Ca 0.21 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 3jwv h LYS 612 Cb -0.08 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3jwv h LYS 612 CO -0.05 0.56 -0.36 0.87 -0.57 0.00 0.00 179.45 179.91 3jwv h LYS 613 N 0.46 0.18 0.00 3.15 1.79 -1.08 -2.41 116.57 118.65 3jwv h LYS 613 Ca 0.12 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 3jwv h LYS 613 Cb 0.22 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 3jwv h LYS 613 CO -0.01 0.52 0.00 -1.33 -1.08 0.00 0.00 179.45 177.55 3jwv n MET 614 N -4.08 0.85 -4.07 3.15 2.81 -0.68 -4.92 117.12 110.18 3jwv n MET 614 Ca -0.01 0.00 -0.33 0.00 -1.81 0.00 0.00 57.70 55.55 3jwv n MET 614 Cb 0.43 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.43 3jwv n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3jwv n ASP 615 N -1.05 -3.50 -4.87 7.83 2.03 -0.91 -4.97 116.55 111.11 3jwv n ASP 615 Ca 0.21 -0.92 -0.31 0.00 0.52 0.00 0.00 54.79 54.29 3jwv n ASP 615 Cb 0.13 -3.24 -0.00 0.00 -0.72 0.00 0.00 41.12 37.29 3jwv n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3jwv s LEU 616 N -7.23 3.38 -0.72 -2.67 1.43 -1.00 -4.99 118.68 106.88 3jwv s LEU 616 Ca 0.62 1.38 -0.27 0.00 -1.03 0.00 0.00 54.13 54.83 3jwv s LEU 616 Cb -0.33 -4.39 0.02 0.00 0.03 0.00 0.00 46.19 41.52 3jwv s LEU 616 CO 0.89 -0.76 1.44 -0.62 0.23 0.00 0.00 176.35 177.52 3jwv s ASP 617 N -3.92 5.94 0.00 2.29 3.68 -1.26 -4.85 116.67 118.55 3jwv s ASP 617 Ca 0.55 -0.29 0.23 0.00 2.13 0.00 0.00 52.55 55.16 3jwv s ASP 617 Cb -0.11 -2.55 0.86 0.00 -1.45 0.00 0.00 42.92 39.67 3jwv s ASP 617 CO 0.48 -1.97 1.61 0.23 0.13 0.00 0.00 175.17 175.65 3jwv n MET 618 N 9.31 1.68 0.09 4.34 2.81 -1.26 -4.22 117.12 129.87 3jwv n MET 618 Ca 0.09 -1.01 -0.05 0.00 -1.81 0.00 0.00 57.70 54.91 3jwv n MET 618 Cb 0.50 -1.42 0.10 0.00 -0.71 0.00 0.00 33.22 31.69 3jwv n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3jwv h ARG 619 N 2.15 0.22 -5.03 0.03 3.08 -2.04 -3.44 114.38 109.36 3jwv h ARG 619 Ca 0.00 -0.17 -0.48 0.00 0.07 0.00 0.00 59.98 59.40 3jwv h ARG 619 Cb 0.47 0.03 -0.30 0.00 0.08 0.00 0.00 29.97 30.24 3jwv h ARG 619 CO 0.00 0.79 -0.81 -1.59 -1.07 0.00 0.00 179.97 177.30 3jwv s LYS 620 N -3.66 1.24 0.48 0.04 -2.85 -1.26 -5.02 119.74 108.71 3jwv s LYS 620 Ca -0.04 -0.46 0.16 0.00 -1.00 0.00 0.00 55.97 54.64 3jwv s LYS 620 Cb 0.12 -1.14 1.14 0.00 -2.06 0.00 0.00 37.83 35.88 3jwv s LYS 620 CO 0.80 0.22 2.05 1.79 0.10 0.00 0.00 175.35 180.31 3jwv h THR 621 N 5.14 1.04 0.00 3.79 1.35 -1.91 -2.41 112.91 119.91 3jwv h THR 621 Ca -0.33 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 3jwv h THR 621 Cb 1.17 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 3jwv h THR 621 CO 0.48 0.12 0.00 -1.54 -0.25 0.00 0.00 175.52 174.33 3jwv n SER 622 N -4.32 0.00 0.00 5.36 3.41 -1.26 -1.21 113.62 115.59 3jwv n SER 622 Ca -0.03 0.07 0.13 0.00 -0.26 0.00 0.00 58.87 58.78 3jwv n SER 622 Cb 0.20 -0.28 0.64 0.00 -0.26 0.00 0.00 64.21 64.51 3jwv n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jwv n SER 623 N -1.28 0.00 -3.55 4.04 3.41 -0.91 -4.92 113.62 110.42 3jwv n SER 623 Ca 0.07 0.02 -0.26 0.00 -0.26 0.00 0.00 58.87 58.44 3jwv n SER 623 Cb 0.11 -0.33 0.01 0.00 -0.26 0.00 0.00 64.21 63.75 3jwv n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jwv n LEU 624 N -1.33 -2.13 -0.35 1.04 4.77 -0.35 -4.89 117.00 113.76 3jwv n LEU 624 Ca 0.11 -0.54 -0.03 0.00 -0.03 0.00 0.00 56.01 55.52 3jwv n LEU 624 Cb 0.23 -2.43 0.10 0.00 -2.33 0.00 0.00 43.42 38.98 3jwv n LEU 624 CO 0.21 0.29 1.23 4.11 -1.33 0.00 0.00 177.39 181.90 3jwv h TRP 625 N -1.49 1.25 -0.62 -1.77 5.08 -1.83 -0.49 115.95 116.08 3jwv h TRP 625 Ca -0.51 -0.00 0.05 0.00 1.08 0.00 0.00 58.89 59.50 3jwv h TRP 625 Cb 1.34 -0.41 -0.05 0.00 -3.00 0.00 0.00 29.16 27.04 3jwv h TRP 625 CO 0.61 0.83 0.35 0.87 -1.28 0.00 0.00 178.44 179.81 3jwv h LYS 626 N 1.31 0.65 -0.33 0.12 1.57 -1.90 -1.98 116.57 116.00 3jwv h LYS 626 Ca 0.34 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.93 3jwv h LYS 626 Cb -0.06 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.11 3jwv h LYS 626 CO -0.06 0.43 -0.38 -0.44 -0.57 0.00 0.00 179.45 178.43 3jwv h ASP 627 N 0.66 0.90 -0.07 0.86 5.19 -1.73 -0.42 116.42 121.82 3jwv h ASP 627 Ca 0.27 -0.48 -0.00 0.00 -0.62 0.00 0.00 57.03 56.20 3jwv h ASP 627 Cb 0.13 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.38 3jwv h ASP 627 CO -0.15 1.20 0.04 1.56 -3.12 0.00 0.00 179.24 178.77 3jwv h GLN 628 N 0.62 0.09 -0.77 3.56 4.20 -0.99 -2.38 115.11 119.44 3jwv h GLN 628 Ca 0.05 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 3jwv h GLN 628 Cb 0.97 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.69 3jwv h GLN 628 CO 0.09 0.11 0.36 0.00 -0.67 0.00 0.00 178.83 178.72 3jwv h ALA 629 N 0.98 0.99 -0.48 3.87 0.00 -1.36 -2.52 119.26 120.74 3jwv h ALA 629 Ca 0.02 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.86 3jwv h ALA 629 Cb 0.04 -0.30 -0.08 0.00 0.00 0.00 0.00 17.79 17.45 3jwv h ALA 629 CO -0.00 0.57 0.03 1.25 0.00 0.00 0.00 179.25 181.09 3jwv h LEU 630 N 1.09 -0.14 -0.24 0.00 5.85 -0.83 -0.71 115.31 120.33 3jwv h LEU 630 Ca 0.26 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 3jwv h LEU 630 Cb 0.13 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3jwv h LEU 630 CO -0.03 -0.04 0.13 0.58 -0.34 0.00 0.00 178.44 178.73 3jwv h VAL 631 N 0.15 1.12 -0.71 1.05 2.07 -1.08 -2.13 116.25 116.72 3jwv h VAL 631 Ca 0.24 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.43 3jwv h VAL 631 Cb 0.35 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3jwv h VAL 631 CO -0.38 0.12 0.47 -0.33 0.02 0.00 0.00 177.57 177.48 3jwv h GLU 632 N 0.27 0.94 -0.82 1.57 4.39 -1.01 0.50 114.58 120.43 3jwv h GLU 632 Ca 0.08 -0.06 0.08 0.00 0.34 0.00 0.00 59.36 59.81 3jwv h GLU 632 Cb 0.08 -0.21 -0.07 0.00 -0.10 0.00 0.00 28.75 28.45 3jwv h GLU 632 CO -0.01 0.62 0.48 0.82 -1.16 0.00 0.00 179.01 179.76 3jwv h ILE 633 N 0.97 0.96 0.00 3.13 2.04 -0.98 -0.60 117.51 123.03 3jwv h ILE 633 Ca 0.26 -0.29 -0.16 0.00 1.00 0.00 0.00 64.86 65.67 3jwv h ILE 633 Cb -0.11 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 35.99 3jwv h ILE 633 CO -0.06 0.15 -0.78 0.78 0.00 0.00 0.00 178.15 178.25 3jwv h ASN 634 N 0.84 0.00 -0.41 1.72 2.35 -0.57 -2.22 115.58 117.29 3jwv h ASN 634 Ca 0.38 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.11 3jwv h ASN 634 Cb 0.28 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 3jwv h ASN 634 CO -0.21 0.78 0.19 0.40 -1.65 0.00 0.00 177.43 176.93 3jwv h ILE 635 N 0.00 1.18 -0.67 2.81 2.04 -0.39 -2.66 117.51 119.81 3jwv h ILE 635 Ca -0.01 -0.54 0.01 0.00 1.00 0.00 0.00 64.86 65.33 3jwv h ILE 635 Cb 1.38 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 38.21 3jwv h ILE 635 CO 0.10 0.20 0.44 0.00 0.00 0.00 0.00 178.15 178.89 3jwv h ALA 636 N 1.03 0.86 0.01 1.87 0.00 -0.95 0.43 119.26 122.52 3jwv h ALA 636 Ca 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3jwv h ALA 636 Cb 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3jwv h ALA 636 CO -0.02 0.26 -0.01 0.28 0.00 0.00 0.00 179.25 179.77 3jwv h VAL 637 N 0.90 1.08 -0.58 0.00 2.07 -1.38 -0.29 116.25 118.04 3jwv h VAL 637 Ca 0.25 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 3jwv h VAL 637 Cb -0.08 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3jwv h VAL 637 CO -0.06 0.07 0.12 -0.07 0.02 0.00 0.00 177.57 177.65 3jwv h LEU 638 N -0.14 0.90 -0.41 2.57 3.38 -1.28 -2.36 115.31 117.98 3jwv h LEU 638 Ca -0.00 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.74 3jwv h LEU 638 Cb 0.13 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3jwv h LEU 638 CO 0.00 0.92 0.24 0.22 0.09 0.00 0.00 178.44 179.91 3jwv h TYR 639 N 0.85 0.45 0.00 1.13 3.20 -0.73 -1.55 116.97 120.33 3jwv h TYR 639 Ca 0.18 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 3jwv h TYR 639 Cb 0.38 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.50 3jwv h TYR 639 CO 0.03 0.26 -0.00 0.77 -1.64 0.00 0.00 178.16 177.58 3jwv h SER 640 N 0.49 -0.01 -0.35 -2.11 0.02 -0.91 0.14 113.55 110.82 3jwv h SER 640 Ca 0.16 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3jwv h SER 640 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 3jwv h SER 640 CO -0.07 0.13 0.23 -0.26 -1.14 0.00 0.00 176.83 175.72 3jwv h PHE 641 N -0.14 0.44 -0.39 3.45 -1.00 -1.38 -1.88 116.94 116.03 3jwv h PHE 641 Ca -0.00 0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.80 3jwv h PHE 641 Cb 0.14 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.53 3jwv h PHE 641 CO -0.03 0.28 0.25 1.96 -1.61 0.00 0.00 178.31 179.16 3jwv h GLN 642 N 0.47 0.50 -0.51 1.51 4.20 -1.15 -0.49 115.11 119.64 3jwv h GLN 642 Ca 0.13 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.84 3jwv h GLN 642 Cb -0.05 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 3jwv h GLN 642 CO -0.03 0.33 0.34 0.77 -0.67 0.00 0.00 178.83 179.57 3jwv h SER 643 N 0.52 0.48 -0.34 1.46 0.02 -0.57 -1.48 113.55 113.63 3jwv h SER 643 Ca 0.15 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3jwv h SER 643 Cb -0.04 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.38 3jwv h SER 643 CO -0.04 0.33 0.00 0.47 -1.14 0.00 0.00 176.83 176.45 3jwv n ASP 644 N -4.47 2.16 -4.06 3.07 8.00 -0.72 -4.94 116.55 115.58 3jwv n ASP 644 Ca 0.06 -1.91 -0.31 0.00 0.71 0.00 0.00 54.79 53.34 3jwv n ASP 644 Cb 0.16 -0.23 -0.02 0.00 -0.02 0.00 0.00 41.12 41.02 3jwv n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3jwv n LYS 645 N 0.66 -3.58 -3.89 -1.24 4.01 -0.56 -4.98 118.16 108.59 3jwv n LYS 645 Ca 0.15 0.42 -0.36 0.00 -0.51 0.00 0.00 58.31 58.01 3jwv n LYS 645 Cb 0.36 -4.91 -0.12 0.00 -0.51 0.00 0.00 35.03 29.86 3jwv n LYS 645 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3jwv s VAL 646 N -3.58 4.42 0.15 -0.18 1.01 -0.25 -4.33 120.40 117.64 3jwv s VAL 646 Ca 0.40 -0.15 -0.34 0.00 0.00 0.00 0.00 61.98 61.90 3jwv s VAL 646 Cb -0.22 -3.04 -0.15 0.00 0.00 0.00 0.00 36.38 32.98 3jwv s VAL 646 CO 0.90 0.38 1.35 0.41 0.00 0.00 0.00 175.10 178.14 3jwv n THR 647 N 4.41 0.41 -3.62 3.92 -1.04 -0.36 -4.28 114.28 113.73 3jwv n THR 647 Ca -0.16 -0.10 -0.15 0.00 -2.04 0.00 0.00 64.05 61.59 3jwv n THR 647 Cb 0.52 -1.09 -0.07 0.00 -1.82 0.00 0.00 70.33 67.87 3jwv n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3jwv s ILE 648 N 0.29 0.03 -0.04 12.58 2.07 -1.26 -4.44 121.20 130.42 3jwv s ILE 648 Ca 0.77 -0.23 0.06 0.00 -1.41 0.00 0.00 60.65 59.84 3jwv s ILE 648 Cb -0.82 -0.87 -0.01 0.00 0.13 0.00 0.00 42.46 40.89 3jwv s ILE 648 CO 0.47 -0.13 -0.22 0.54 -1.91 0.00 0.00 174.94 173.69 3jwv s VAL 649 N -1.61 1.76 0.66 4.00 0.11 -0.26 -5.00 120.40 120.06 3jwv s VAL 649 Ca -0.10 -0.92 -0.11 0.00 -2.93 0.00 0.00 61.98 57.92 3jwv s VAL 649 Cb -0.02 -1.49 -0.01 0.00 -1.53 0.00 0.00 36.38 33.33 3jwv s VAL 649 CO 0.05 0.50 1.05 1.51 -3.33 0.00 0.00 175.10 174.88 3jwv s ASP 650 N -0.24 5.80 0.50 3.54 -4.77 -1.26 -0.09 116.67 120.15 3jwv s ASP 650 Ca 0.01 1.40 0.26 0.00 -3.30 0.00 0.00 52.55 50.91 3jwv s ASP 650 Cb -0.11 -2.35 1.31 0.00 -1.09 0.00 0.00 42.92 40.68 3jwv s ASP 650 CO 0.02 -1.14 2.01 1.12 0.70 0.00 0.00 175.17 177.88 3jwv h HIS 651 N -0.51 0.00 0.08 2.11 2.07 -1.98 -0.90 115.15 116.02 3jwv h HIS 651 Ca -0.44 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.07 3jwv h HIS 651 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 3jwv h HIS 651 CO 0.61 0.15 -0.04 0.45 -3.07 0.00 0.00 177.93 176.03 3jwv h HIS 652 N 0.00 -0.10 -0.64 6.12 3.86 -1.97 -2.32 115.15 120.11 3jwv h HIS 652 Ca -0.00 -0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 3jwv h HIS 652 Cb 0.42 0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.90 3jwv h HIS 652 CO 0.00 0.34 0.09 1.03 0.86 0.00 0.00 177.93 180.25 3jwv h SER 653 N -0.60 1.01 -0.51 2.45 0.87 -1.89 -1.66 113.55 113.22 3jwv h SER 653 Ca -0.01 -0.24 -0.06 0.00 -1.23 0.00 0.00 61.79 60.25 3jwv h SER 653 Cb 0.49 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 3jwv h SER 653 CO 0.02 1.02 0.10 0.00 -0.53 0.00 0.00 176.83 177.43 3jwv h ALA 654 N 1.10 0.68 -0.19 6.23 0.00 -1.22 -1.38 119.26 124.48 3jwv h ALA 654 Ca 0.19 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 3jwv h ALA 654 Cb 0.45 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3jwv h ALA 654 CO 0.01 0.40 -0.68 1.79 0.00 0.00 0.00 179.25 180.77 3jwv h THR 655 N 0.72 1.29 -0.34 0.00 1.35 -1.37 -0.59 112.91 113.98 3jwv h THR 655 Ca 0.16 -1.91 0.05 0.00 -0.55 0.00 0.00 66.41 64.16 3jwv h THR 655 Cb 0.38 1.87 -0.04 0.00 -1.73 0.00 0.00 68.15 68.63 3jwv h THR 655 CO 0.01 0.60 0.08 -0.08 -0.25 0.00 0.00 175.52 175.88 3jwv h GLU 656 N 0.53 0.19 -0.99 4.72 4.81 -1.25 -1.55 114.58 121.06 3jwv h GLU 656 Ca -0.02 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3jwv h GLU 656 Cb 1.29 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.57 3jwv h GLU 656 CO 0.14 0.13 0.65 0.77 -0.73 0.00 0.00 179.01 179.97 3jwv h SER 657 N 0.20 1.10 -0.52 1.04 0.02 -1.09 -2.34 113.55 111.96 3jwv h SER 657 Ca 0.16 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 3jwv h SER 657 Cb 0.17 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 3jwv h SER 657 CO -0.20 0.77 0.09 0.15 -1.14 0.00 0.00 176.83 176.50 3jwv h PHE 658 N 1.29 0.95 -0.42 3.45 3.57 -0.79 0.18 116.94 125.18 3jwv h PHE 658 Ca 0.38 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.76 3jwv h PHE 658 Cb -0.07 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.38 3jwv h PHE 658 CO -0.00 0.82 0.27 0.82 -2.23 0.00 0.00 178.31 177.98 3jwv h ILE 659 N 0.86 1.12 -0.56 1.41 1.08 -1.05 0.26 117.51 120.63 3jwv h ILE 659 Ca 0.18 -0.26 0.04 0.00 -0.39 0.00 0.00 64.86 64.43 3jwv h ILE 659 Cb 0.39 0.54 -0.04 0.00 -3.07 0.00 0.00 36.82 34.63 3jwv h ILE 659 CO 0.01 0.12 0.32 0.50 -0.69 0.00 0.00 178.15 178.41 3jwv h LYS 660 N 0.56 0.60 -0.05 2.37 3.64 -1.07 -1.56 116.57 121.07 3jwv h LYS 660 Ca 0.15 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3jwv h LYS 660 Cb -0.03 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 3jwv h LYS 660 CO -0.03 0.40 0.02 1.25 -2.27 0.00 0.00 179.45 178.82 3jwv h HIS 661 N 0.62 0.04 -0.40 1.91 2.76 -0.32 -0.91 115.15 118.84 3jwv h HIS 661 Ca 0.24 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.48 3jwv h HIS 661 Cb 0.08 -0.01 -0.07 0.00 1.55 0.00 0.00 27.41 28.96 3jwv h HIS 661 CO -0.08 0.02 -0.02 0.52 -1.30 0.00 0.00 177.93 177.08 3jwv h MET 662 N 0.05 0.08 -0.46 5.26 2.86 -0.27 0.12 114.93 122.57 3jwv h MET 662 Ca 0.02 -0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.67 3jwv h MET 662 Cb 0.00 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 3jwv h MET 662 CO -0.02 0.05 0.28 0.93 1.06 0.00 0.00 176.91 179.22 3jwv h GLU 663 N 0.08 0.55 -0.33 1.72 5.08 -1.08 0.18 114.58 120.78 3jwv h GLU 663 Ca 0.20 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.59 3jwv h GLU 663 Cb 0.28 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 3jwv h GLU 663 CO -0.34 0.36 -0.05 -0.91 -1.00 0.00 0.00 179.01 177.07 3jwv h ASN 664 N 0.57 -0.24 -0.56 1.42 2.35 -0.35 -1.77 115.58 117.01 3jwv h ASN 664 Ca 0.18 0.09 -0.07 0.00 -0.55 0.00 0.00 56.30 55.95 3jwv h ASN 664 Cb -0.01 0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 3jwv h ASN 664 CO -0.07 -0.08 0.11 -0.33 -1.65 0.00 0.00 177.43 175.41 3jwv h GLU 665 N 0.04 0.96 -0.43 0.81 4.39 -0.27 0.73 114.58 120.81 3jwv h GLU 665 Ca 0.16 -0.23 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 3jwv h GLU 665 Cb 0.24 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 3jwv h GLU 665 CO -0.31 0.88 0.08 1.88 -1.16 0.00 0.00 179.01 180.38 3jwv h TYR 666 N 0.91 0.75 -0.00 4.33 -1.99 -0.30 0.11 116.97 120.77 3jwv h TYR 666 Ca 0.19 -0.10 -0.16 0.00 2.00 0.00 0.00 58.73 60.66 3jwv h TYR 666 Cb 0.39 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 38.89 3jwv h TYR 666 CO 0.03 0.71 -0.76 0.07 -0.00 0.00 0.00 178.16 178.21 3jwv h ARG 667 N 0.57 0.01 0.00 4.88 0.11 -1.15 -2.52 114.38 116.29 3jwv h ARG 667 Ca 0.13 -0.01 -0.32 0.00 0.10 0.00 0.00 59.98 59.88 3jwv h ARG 667 Cb 0.36 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.38 3jwv h ARG 667 CO 0.01 0.76 -2.03 0.00 0.10 0.00 0.00 179.97 178.81 3jwv n ARG 669 N -2.89 4.37 -0.79 0.00 0.63 0.28 -5.03 116.66 113.24 3jwv n ARG 669 Ca -0.24 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.69 3jwv n ARG 669 Cb 1.09 -0.42 0.00 0.00 0.45 0.00 0.00 32.46 33.58 3jwv n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3jwv n GLY 670 N 0.85 0.59 0.00 5.14 0.00 -0.67 -4.65 105.19 106.46 3jwv n GLY 670 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3jwv n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwv n GLY 671 N -2.79 -0.23 3.01 -0.02 0.00 -1.10 -1.01 105.19 103.04 3jwv n GLY 671 Ca 0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 46.02 44.80 3jwv n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwv s PRO 673 N 2.66 4.36 -0.16 0.00 0.04 -1.26 -4.61 135.00 136.03 3jwv s PRO 673 Ca 0.14 2.09 -0.13 0.00 0.04 0.00 0.00 61.00 63.14 3jwv s PRO 673 Cb -0.14 -3.19 0.04 0.00 0.04 0.00 0.00 34.50 31.25 3jwv s PRO 673 CO -0.21 -0.31 0.41 0.00 0.04 0.00 0.00 177.00 176.92 3jwv s ALA 674 N 0.31 -1.01 -0.46 8.56 0.00 -0.34 -4.27 121.76 124.54 3jwv s ALA 674 Ca 0.59 1.23 -0.08 0.00 0.00 0.00 0.00 51.96 53.69 3jwv s ALA 674 Cb -0.37 -0.72 0.12 0.00 0.00 0.00 0.00 23.12 22.14 3jwv s ALA 674 CO 0.37 -0.21 0.32 0.34 0.00 0.00 0.00 175.76 176.58 3jwv s ASP 675 N 0.47 5.63 0.27 0.00 3.68 0.30 -3.33 116.67 123.69 3jwv s ASP 675 Ca -0.02 -1.92 -0.01 0.00 2.13 0.00 0.00 52.55 52.73 3jwv s ASP 675 Cb -0.04 -1.98 0.45 0.00 -1.45 0.00 0.00 42.92 39.90 3jwv s ASP 675 CO -0.02 -0.67 1.88 -0.25 0.13 0.00 0.00 175.17 176.24 3jwv h TRP 676 N 8.38 1.17 -0.74 -5.34 7.01 -1.92 -0.33 115.95 124.20 3jwv h TRP 676 Ca -0.20 0.03 0.12 0.00 2.11 0.00 0.00 58.89 60.96 3jwv h TRP 676 Cb 1.07 -0.38 -0.05 0.00 -2.10 0.00 0.00 29.16 27.70 3jwv h TRP 676 CO 0.62 0.58 0.49 0.28 -2.79 0.00 0.00 178.44 177.62 3jwv h VAL 677 N 1.13 0.86 0.05 2.65 2.07 -1.93 -2.05 116.25 119.03 3jwv h VAL 677 Ca 0.44 -0.18 -0.33 0.00 0.82 0.00 0.00 66.70 67.45 3jwv h VAL 677 Cb 0.24 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 3jwv h VAL 677 CO -0.19 0.09 -1.93 0.79 0.02 0.00 0.00 177.57 176.36 3jwv n TRP 678 N -4.49 0.96 -0.10 1.57 7.02 -0.45 -4.48 117.44 117.47 3jwv n TRP 678 Ca 0.13 0.27 -0.14 0.00 -1.02 0.00 0.00 57.50 56.74 3jwv n TRP 678 Cb 0.43 -1.15 -0.04 0.00 -2.42 0.00 0.00 31.31 28.14 3jwv n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3jwv h ILE 679 N 0.03 1.28 -2.80 -0.99 1.08 -0.87 -3.43 117.51 111.80 3jwv h ILE 679 Ca -0.38 -1.64 -0.54 0.00 -0.39 0.00 0.00 64.86 61.91 3jwv h ILE 679 Cb 2.03 1.53 0.01 0.00 -3.07 0.00 0.00 36.82 37.32 3jwv h ILE 679 CO 0.07 0.54 0.92 -0.69 -0.69 0.00 0.00 178.15 178.29 3jwv s VAL 680 N -4.25 3.42 0.80 1.67 1.01 -0.79 -4.93 120.40 117.32 3jwv s VAL 680 Ca -0.11 0.82 -0.14 0.00 0.00 0.00 0.00 61.98 62.55 3jwv s VAL 680 Cb 0.10 -3.53 0.06 0.00 0.00 0.00 0.00 36.38 33.02 3jwv s VAL 680 CO 0.88 -0.01 1.10 -2.65 0.00 0.00 0.00 175.10 174.43 3jwv n PRO 681 N 5.55 0.22 0.00 2.72 -0.02 -1.26 -4.90 135.00 137.30 3jwv n PRO 681 Ca 0.14 0.14 0.12 0.00 -2.02 0.00 0.00 63.50 61.89 3jwv n PRO 681 Cb 0.42 -2.36 0.71 0.00 -0.02 0.00 0.00 33.50 32.26 3jwv n PRO 681 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3jwv n PRO 682 N -2.89 0.84 -4.11 0.52 -0.04 -1.26 -4.33 135.00 123.73 3jwv n PRO 682 Ca 0.13 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.47 3jwv n PRO 682 Cb 0.50 -1.45 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 3jwv n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jwv s MET 683 N -2.00 0.68 -1.51 0.54 0.23 -1.26 -4.91 119.30 111.07 3jwv s MET 683 Ca 0.36 -1.03 0.00 0.00 -1.03 0.00 0.00 55.69 53.99 3jwv s MET 683 Cb 0.16 -0.26 0.00 0.00 -1.53 0.00 0.00 34.83 33.20 3jwv s MET 683 CO 0.28 0.02 0.00 0.43 -2.03 0.00 0.00 175.02 173.72 3jwv n SER 684 N 0.76 -5.05 -0.37 -1.18 7.64 -1.26 -4.86 113.62 109.31 3jwv n SER 684 Ca -0.18 0.10 -0.10 0.00 1.01 0.00 0.00 58.87 59.70 3jwv n SER 684 Cb 0.57 -4.25 -0.09 0.00 -1.01 0.00 0.00 64.21 59.44 3jwv n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jwv n GLY 685 N -0.89 -2.44 0.00 0.23 0.00 -1.26 -1.78 105.19 99.05 3jwv n GLY 685 Ca -0.20 1.07 0.10 0.00 0.00 0.00 0.00 46.02 46.99 3jwv n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jwv n SER 686 N -5.03 0.00 -0.63 1.61 3.41 -1.26 -1.89 113.62 109.83 3jwv n SER 686 Ca 0.02 0.40 0.11 0.00 -0.26 0.00 0.00 58.87 59.14 3jwv n SER 686 Cb 0.23 -0.46 0.35 0.00 -0.26 0.00 0.00 64.21 64.07 3jwv n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3jwv n ILE 687 N -1.46 0.23 -4.05 -1.33 -5.35 -0.74 -4.84 119.36 101.83 3jwv n ILE 687 Ca 0.06 -0.39 -0.32 0.00 -0.27 0.00 0.00 62.75 61.83 3jwv n ILE 687 Cb 0.23 0.46 -0.06 0.00 -1.74 0.00 0.00 39.64 38.53 3jwv n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3jwv s THR 688 N -1.77 4.75 0.34 7.28 -4.23 -0.79 -5.03 115.64 116.19 3jwv s THR 688 Ca 0.33 -0.56 0.17 0.00 -1.18 0.00 0.00 61.69 60.45 3jwv s THR 688 Cb 0.18 -3.24 0.15 0.00 1.34 0.00 0.00 72.50 70.93 3jwv s THR 688 CO 0.27 0.22 1.87 1.55 -0.54 0.00 0.00 174.62 177.99 3jwv h PRO 689 N 3.59 0.00 0.00 3.99 0.13 -1.88 -2.91 132.00 134.92 3jwv h PRO 689 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 3jwv h PRO 689 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 3jwv h PRO 689 CO 0.66 0.30 -0.08 -0.39 -0.23 0.00 0.00 178.00 178.26 3jwv h VAL 690 N 0.00 0.97 -1.00 1.56 -1.51 -1.89 -2.54 116.25 111.85 3jwv h VAL 690 Ca -0.00 -0.29 0.14 0.00 -1.23 0.00 0.00 66.70 65.31 3jwv h VAL 690 Cb 0.62 1.16 -0.09 0.00 -2.13 0.00 0.00 31.29 30.85 3jwv h VAL 690 CO 0.04 0.08 0.63 0.15 -1.23 0.00 0.00 177.57 177.24 3jwv h PHE 691 N 0.00 1.12 -0.22 5.19 3.57 -1.70 -2.07 116.94 122.83 3jwv h PHE 691 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3jwv h PHE 691 Cb 0.16 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.54 3jwv h PHE 691 CO 0.00 0.40 0.00 0.72 -2.23 0.00 0.00 178.31 177.20 3jwv n HIS 692 N -4.65 0.28 -3.57 0.41 8.25 -0.96 -4.84 115.22 110.15 3jwv n HIS 692 Ca 0.20 -0.14 -0.39 0.00 -0.26 0.00 0.00 57.72 57.12 3jwv n HIS 692 Cb 0.40 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.41 3jwv n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3jwv s GLN 693 N -1.72 3.58 0.37 -0.41 2.00 -0.78 -0.92 119.66 121.78 3jwv s GLN 693 Ca 0.33 -0.58 -0.28 0.00 -2.00 0.00 0.00 55.36 52.84 3jwv s GLN 693 Cb 0.18 -3.73 -0.10 0.00 0.80 0.00 0.00 33.01 30.17 3jwv s GLN 693 CO 0.27 -0.37 1.37 -1.21 -0.50 0.00 0.00 175.29 174.85 3jwv s GLU 694 N 1.71 4.15 0.06 1.67 2.02 -0.51 -5.00 118.70 122.80 3jwv s GLU 694 Ca 0.06 2.32 0.05 0.00 0.02 0.00 0.00 54.97 57.42 3jwv s GLU 694 Cb -0.17 -2.94 -0.03 0.00 0.10 0.00 0.00 34.13 31.09 3jwv s GLU 694 CO 0.10 -0.40 -0.13 -1.64 0.02 0.00 0.00 175.26 173.20 3jwv s MET 695 N -2.03 0.78 -0.14 1.61 -1.94 -1.26 -4.64 119.30 111.68 3jwv s MET 695 Ca 0.53 -0.89 -0.02 0.00 -1.71 0.00 0.00 55.69 53.59 3jwv s MET 695 Cb -0.42 -0.75 -0.02 0.00 2.01 0.00 0.00 34.83 35.65 3jwv s MET 695 CO 0.55 0.17 -0.07 -0.51 -0.01 0.00 0.00 175.02 175.15 3jwv s LEU 696 N -1.62 3.04 -0.18 -0.03 1.43 -1.26 -4.93 118.68 115.14 3jwv s LEU 696 Ca -0.03 -0.20 -0.05 0.00 -1.03 0.00 0.00 54.13 52.82 3jwv s LEU 696 Cb -0.10 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 3jwv s LEU 696 CO 0.02 0.18 0.00 0.21 0.23 0.00 0.00 176.35 176.99 3jwv s ASN 697 N 0.28 5.06 0.19 2.29 3.04 -1.21 -1.20 114.94 123.39 3jwv s ASN 697 Ca -0.06 -0.08 -0.20 0.00 0.04 0.00 0.00 52.86 52.56 3jwv s ASN 697 Cb -0.15 -1.85 0.04 0.00 -1.54 0.00 0.00 41.25 37.76 3jwv s ASN 697 CO 0.04 0.14 0.57 -0.72 -3.04 0.00 0.00 177.10 174.09 3jwv s TYR 698 N 0.53 -0.30 -0.32 0.43 -0.85 -1.26 -4.95 117.35 110.62 3jwv s TYR 698 Ca -0.01 -0.00 -0.06 0.00 -0.52 0.00 0.00 57.07 56.48 3jwv s TYR 698 Cb -0.14 0.49 0.03 0.00 0.38 0.00 0.00 41.96 42.72 3jwv s TYR 698 CO 0.02 -0.92 0.09 1.03 -1.52 0.00 0.00 175.55 174.26 3jwv s ARG 699 N -3.82 2.78 0.18 -3.49 0.52 -1.26 -4.81 118.95 109.05 3jwv s ARG 699 Ca 0.06 -1.07 0.07 0.00 -0.52 0.00 0.00 55.73 54.27 3jwv s ARG 699 Cb -0.01 -3.42 -0.04 0.00 0.52 0.00 0.00 34.95 32.00 3jwv s ARG 699 CO -0.06 -0.58 0.03 -0.51 0.02 0.00 0.00 175.30 174.20 3jwv s LEU 700 N 1.43 3.42 0.07 2.53 1.43 -1.26 -3.27 118.68 123.03 3jwv s LEU 700 Ca -0.00 -0.36 0.10 0.00 -1.03 0.00 0.00 54.13 52.84 3jwv s LEU 700 Cb -0.19 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 3jwv s LEU 700 CO 0.02 0.07 -0.26 0.28 0.23 0.00 0.00 176.35 176.70 3jwv s THR 701 N -1.80 2.12 0.71 5.49 -1.32 -1.26 -4.20 115.64 115.38 3jwv s THR 701 Ca 0.29 -1.49 -0.16 0.00 -1.21 0.00 0.00 61.69 59.11 3jwv s THR 701 Cb -0.09 -1.84 0.02 0.00 -1.51 0.00 0.00 72.50 69.07 3jwv s THR 701 CO 0.20 0.25 1.16 -2.65 -2.21 0.00 0.00 174.62 171.38 3jwv n PRO 702 N 1.49 0.70 -3.88 7.08 -0.02 -1.26 -5.02 135.00 134.10 3jwv n PRO 702 Ca -0.17 0.30 -0.09 0.00 -2.02 0.00 0.00 63.50 61.51 3jwv n PRO 702 Cb 0.52 -2.41 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 3jwv n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3jwv s SER 703 N -1.63 0.03 -0.13 2.55 1.04 -0.87 -3.79 113.70 110.91 3jwv s SER 703 Ca 0.78 -0.71 -0.12 0.00 0.48 0.00 0.00 55.95 56.38 3jwv s SER 703 Cb -0.35 0.41 -0.05 0.00 0.10 0.00 0.00 66.02 66.13 3jwv s SER 703 CO 0.46 -0.83 0.26 -0.36 0.98 0.00 0.00 173.24 173.75 3jwv s PHE 704 N -3.90 3.54 0.15 5.02 0.40 -1.26 -1.15 117.98 120.78 3jwv s PHE 704 Ca 0.10 0.62 0.06 0.00 -0.60 0.00 0.00 56.93 57.11 3jwv s PHE 704 Cb 0.04 -2.21 -0.04 0.00 0.51 0.00 0.00 43.02 41.31 3jwv s PHE 704 CO -0.06 0.44 -0.13 -1.21 0.70 0.00 0.00 175.22 174.96 3jwv s GLU 705 N -0.20 1.11 0.63 0.44 0.41 0.31 -4.94 118.70 116.45 3jwv s GLU 705 Ca 0.16 -1.38 -0.13 0.00 -0.41 0.00 0.00 54.97 53.22 3jwv s GLU 705 Cb -0.13 -0.90 -0.03 0.00 -1.78 0.00 0.00 34.13 31.29 3jwv s GLU 705 CO 0.05 0.16 1.04 0.71 -0.49 0.00 0.00 175.26 176.73 3jwv s TYR 706 N -2.61 3.28 0.08 1.61 1.51 -1.26 -0.50 117.35 119.46 3jwv s TYR 706 Ca 0.14 1.41 -0.04 0.00 -1.01 0.00 0.00 57.07 57.57 3jwv s TYR 706 Cb -0.02 -2.85 -0.02 0.00 -0.11 0.00 0.00 41.96 38.96 3jwv s TYR 706 CO 0.03 -0.93 0.08 1.14 -1.11 0.00 0.00 175.55 174.76 3jwv s GLN 707 N -4.74 0.76 0.35 -0.62 -2.07 -1.26 -4.79 119.66 107.28 3jwv s GLN 707 Ca 0.58 -1.14 -0.28 0.00 -1.82 0.00 0.00 55.36 52.71 3jwv s GLN 707 Cb -0.13 0.27 -0.12 0.00 -1.09 0.00 0.00 33.01 31.94 3jwv s GLN 707 CO 0.48 -0.20 1.24 -2.30 -1.32 0.00 0.00 175.29 173.19 3jwv n PRO 708 N 0.01 1.98 -1.67 9.60 -0.02 -1.26 -4.92 135.00 138.71 3jwv n PRO 708 Ca -0.13 0.70 -0.47 0.00 -2.02 0.00 0.00 63.50 61.58 3jwv n PRO 708 Cb 0.62 -2.26 -0.04 0.00 -0.02 0.00 0.00 33.50 31.79 3jwv n PRO 708 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3jwv n ASP 709 N 0.76 3.15 -0.01 2.55 8.00 -1.26 -4.88 116.55 124.86 3jwv n ASP 709 Ca 0.06 1.06 0.11 0.00 0.71 0.00 0.00 54.79 56.72 3jwv n ASP 709 Cb 0.36 -1.41 0.52 0.00 -0.02 0.00 0.00 41.12 40.58 3jwv n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3jwv h PRO 710 N 6.69 0.33 -0.07 -0.24 0.13 -1.91 -2.33 132.00 134.60 3jwv h PRO 710 Ca -0.46 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 3jwv h PRO 710 Cb 1.26 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3jwv h PRO 710 CO 0.90 0.22 -0.14 0.11 -0.23 0.00 0.00 178.00 178.86 3jwv h TRP 711 N 0.34 0.10 0.00 1.56 0.09 -1.93 0.68 115.95 116.79 3jwv h TRP 711 Ca 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 58.89 59.18 3jwv h TRP 711 Cb 0.39 -0.03 0.00 0.00 0.08 0.00 0.00 29.16 29.60 3jwv h TRP 711 CO -0.00 0.24 0.00 0.09 0.09 0.00 0.00 178.44 178.86 3jwv n ASN 712 N -4.32 0.00 0.02 0.11 3.02 -0.88 -4.25 115.26 108.96 3jwv n ASN 712 Ca -0.02 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 3jwv n ASN 712 Cb 0.24 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 3jwv n ASN 712 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3jwv n THR 713 N -0.87 0.07 -1.67 3.41 -1.04 -0.52 -5.06 114.28 108.59 3jwv n THR 713 Ca 0.15 0.02 -0.47 0.00 -2.04 0.00 0.00 64.05 61.71 3jwv n THR 713 Cb 0.07 -0.85 -0.04 0.00 -1.82 0.00 0.00 70.33 67.68 3jwv n THR 713 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 3jwv n HIS 714 N -2.80 2.25 -2.91 -1.42 -0.00 0.23 -4.95 115.22 105.60 3jwv n HIS 714 Ca 0.00 0.21 -0.42 0.00 -0.00 0.00 0.00 57.72 57.50 3jwv n HIS 714 Cb 0.15 -2.57 -0.05 0.00 -0.00 0.00 0.00 29.99 27.52 3jwv n HIS 714 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 3jwv s VAL 715 N 1.92 4.70 -2.00 3.57 -7.23 -1.26 -4.97 120.40 115.13 3jwv s VAL 715 Ca 0.84 1.00 0.17 0.00 -1.81 0.00 0.00 61.98 62.18 3jwv s VAL 715 Cb -0.71 -4.24 0.47 0.00 0.56 0.00 0.00 36.38 32.47 3jwv s VAL 715 CO 0.43 -0.44 1.40 0.79 -0.31 0.00 0.00 175.10 176.97