#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qgw n LEU 306 N 0.00 0.36 0.16 2.46 4.77 -1.26 -4.33 117.00 119.16 2qgw n LEU 306 Ca 0.00 -0.26 0.07 0.00 -0.03 0.00 0.00 56.01 55.79 2qgw n LEU 306 Cb 0.00 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.16 2qgw n LEU 306 CO 0.00 0.09 0.51 0.00 -1.33 0.00 0.00 177.39 176.66 2qgw h ALA 307 N 1.79 0.78 0.00 -1.18 0.00 -1.98 -3.26 119.26 115.41 2qgw h ALA 307 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2qgw h ALA 307 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2qgw h ALA 307 CO 0.00 0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.89 2qgw n LEU 308 N -3.11 0.39 -0.56 0.00 4.32 -1.26 -3.49 117.00 113.29 2qgw n LEU 308 Ca 0.02 0.56 0.08 0.00 -0.02 0.00 0.00 56.01 56.64 2qgw n LEU 308 Cb 0.65 -0.45 0.05 0.00 -1.62 0.00 0.00 43.42 42.04 2qgw n LEU 308 CO 0.38 -0.20 0.43 -1.54 -1.22 0.00 0.00 177.39 175.24 2qgw n SER 309 N -1.89 2.12 -4.72 -1.43 3.41 -1.23 -5.00 113.62 104.88 2qgw n SER 309 Ca 0.05 -1.56 -0.37 0.00 -0.26 0.00 0.00 58.87 56.73 2qgw n SER 309 Cb 0.32 0.14 0.07 0.00 -0.26 0.00 0.00 64.21 64.48 2qgw n SER 309 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qgw n LEU 310 N 0.59 5.86 -4.93 1.04 4.32 -1.23 -5.04 117.00 117.63 2qgw n LEU 310 Ca 0.09 0.85 -0.25 0.00 -0.02 0.00 0.00 56.01 56.67 2qgw n LEU 310 Cb 0.38 -1.55 0.03 0.00 -1.62 0.00 0.00 43.42 40.66 2qgw n LEU 310 CO 0.13 -0.98 0.47 0.42 -1.22 0.00 0.00 177.39 176.20 2qgw s THR 311 N -1.38 3.68 0.16 -5.08 -4.23 -1.26 -4.89 115.64 102.64 2qgw s THR 311 Ca 0.81 -0.15 -0.16 0.00 -1.18 0.00 0.00 61.69 61.00 2qgw s THR 311 Cb -0.39 -3.43 0.08 0.00 1.34 0.00 0.00 72.50 70.10 2qgw s THR 311 CO 0.42 -0.41 1.68 0.00 -0.54 0.00 0.00 174.62 175.77 2qgw h ALA 312 N -0.03 0.31 -0.84 3.99 0.00 -1.94 0.21 119.26 120.97 2qgw h ALA 312 Ca -0.45 0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.65 2qgw h ALA 312 Cb 1.26 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 19.23 2qgw h ALA 312 CO 0.59 -0.42 0.52 -0.44 0.00 0.00 0.00 179.25 179.50 2qgw h ASP 313 N 0.05 0.81 1.09 0.00 3.32 -1.95 -2.66 116.42 117.08 2qgw h ASP 313 Ca 0.19 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 2qgw h ASP 313 Cb 0.28 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2qgw h ASP 313 CO -0.36 0.52 -0.26 1.56 -1.72 0.00 0.00 179.24 178.98 2qgw h GLN 314 N 0.95 0.00 -0.22 3.56 4.20 -1.71 -2.06 115.11 119.83 2qgw h GLN 314 Ca 0.36 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.99 2qgw h GLN 314 Cb 0.16 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 2qgw h GLN 314 CO -0.17 0.26 -0.18 1.98 -0.67 0.00 0.00 178.83 180.05 2qgw h MET 315 N 0.00 0.51 0.33 1.46 4.05 -0.30 -2.39 114.93 118.58 2qgw h MET 315 Ca -0.00 -0.25 -0.01 0.00 -0.28 0.00 0.00 59.70 59.16 2qgw h MET 315 Cb 0.88 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.67 2qgw h MET 315 CO 0.03 0.83 -0.24 0.28 0.23 0.00 0.00 176.91 178.05 2qgw h VAL 316 N 0.19 0.50 -0.68 -5.77 2.07 -1.39 -1.61 116.25 109.57 2qgw h VAL 316 Ca 0.04 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.68 2qgw h VAL 316 Cb 0.72 0.50 -0.09 0.00 -1.52 0.00 0.00 31.29 30.90 2qgw h VAL 316 CO 0.05 0.00 0.23 0.28 0.02 0.00 0.00 177.57 178.15 2qgw h SER 317 N -0.56 0.18 -0.50 0.57 0.02 -1.43 0.32 113.55 112.15 2qgw h SER 317 Ca -0.03 0.10 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 2qgw h SER 317 Cb 0.48 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 2qgw h SER 317 CO 0.01 0.08 -0.04 0.00 -1.14 0.00 0.00 176.83 175.73 2qgw h ALA 318 N 1.50 0.68 -0.28 3.77 0.00 -1.25 -0.91 119.26 122.77 2qgw h ALA 318 Ca 0.36 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2qgw h ALA 318 Cb 0.52 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2qgw h ALA 318 CO -0.38 0.53 -0.02 -0.07 0.00 0.00 0.00 179.25 179.30 2qgw h LEU 319 N 0.77 0.50 -1.84 0.00 3.38 -0.63 -1.85 115.31 115.64 2qgw h LEU 319 Ca 0.14 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2qgw h LEU 319 Cb 0.58 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 2qgw h LEU 319 CO 0.03 0.71 -0.01 -0.07 0.09 0.00 0.00 178.44 179.20 2qgw h LEU 320 N 0.28 0.08 0.05 1.67 3.38 -0.30 -2.67 115.31 117.79 2qgw h LEU 320 Ca 0.08 -0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.80 2qgw h LEU 320 Cb 0.47 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2qgw h LEU 320 CO 0.02 0.10 -1.19 0.44 0.09 0.00 0.00 178.44 177.90 2qgw h ASP 321 N 0.09 0.16 0.91 -0.43 3.32 -1.06 -3.27 116.42 116.13 2qgw h ASP 321 Ca 0.02 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.89 2qgw h ASP 321 Cb 0.08 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2qgw h ASP 321 CO 0.00 1.15 0.00 0.00 -1.72 0.00 0.00 179.24 178.67 2qgw n ALA 322 N -2.45 2.11 -1.59 3.45 0.00 -0.70 -4.92 120.51 116.40 2qgw n ALA 322 Ca -0.06 -0.07 -0.47 0.00 0.00 0.00 0.00 53.44 52.85 2qgw n ALA 322 Cb 0.98 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.00 2qgw n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qgw n GLU 323 N -1.64 1.31 -1.49 0.00 -0.58 -1.03 -4.54 120.64 112.67 2qgw n GLU 323 Ca 0.06 0.47 -0.31 0.00 -0.42 0.00 0.00 57.16 56.96 2qgw n GLU 323 Cb 0.30 -1.95 0.07 0.00 -0.57 0.00 0.00 31.44 29.30 2qgw n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2qgw s PRO 324 N -0.70 2.53 0.69 3.49 0.04 -1.26 -5.04 135.00 134.75 2qgw s PRO 324 Ca 0.69 0.91 -0.12 0.00 0.04 0.00 0.00 61.00 62.52 2qgw s PRO 324 Cb -0.79 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 31.82 2qgw s PRO 324 CO 0.54 -1.38 1.07 -1.25 0.04 0.00 0.00 177.00 176.02 2qgw s PRO 325 N -5.04 2.84 -0.38 0.56 0.04 -1.26 -5.00 135.00 126.76 2qgw s PRO 325 Ca 0.59 1.09 -0.25 0.00 0.04 0.00 0.00 61.00 62.48 2qgw s PRO 325 Cb -0.15 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.43 2qgw s PRO 325 CO 0.55 -1.18 0.86 0.42 0.04 0.00 0.00 177.00 177.69 2qgw s ILE 326 N -2.83 4.63 0.28 0.56 1.01 -1.26 -5.04 121.20 118.55 2qgw s ILE 326 Ca 0.61 0.97 -0.15 0.00 0.00 0.00 0.00 60.65 62.08 2qgw s ILE 326 Cb -0.16 -4.30 -0.08 0.00 0.01 0.00 0.00 42.46 37.93 2qgw s ILE 326 CO 0.50 -0.55 0.70 -0.76 0.00 0.00 0.00 174.94 174.83 2qgw s LEU 327 N 3.36 4.14 0.29 2.97 1.43 -1.26 -4.98 118.68 124.63 2qgw s LEU 327 Ca 0.35 1.24 -0.06 0.00 -1.03 0.00 0.00 54.13 54.63 2qgw s LEU 327 Cb -0.12 -3.89 -0.05 0.00 0.03 0.00 0.00 46.19 42.15 2qgw s LEU 327 CO 0.19 -0.13 0.56 -0.31 0.23 0.00 0.00 176.35 176.90 2qgw s TYR 328 N -1.85 3.47 0.49 0.29 2.02 -1.26 -4.38 117.35 116.12 2qgw s TYR 328 Ca 0.50 0.68 -0.01 0.00 -0.37 0.00 0.00 57.07 57.87 2qgw s TYR 328 Cb -0.12 -2.13 0.00 0.00 -0.40 0.00 0.00 41.96 39.31 2qgw s TYR 328 CO 0.19 0.17 0.73 -1.54 -1.57 0.00 0.00 175.55 173.52 2qgw s SER 329 N -3.09 5.75 0.38 2.29 1.04 -1.26 -4.99 113.70 113.82 2qgw s SER 329 Ca 0.45 0.36 0.20 0.00 0.48 0.00 0.00 55.95 57.44 2qgw s SER 329 Cb -0.11 -1.53 0.43 0.00 0.10 0.00 0.00 66.02 64.91 2qgw s SER 329 CO 0.29 -0.80 1.62 1.05 0.98 0.00 0.00 173.24 176.38 2qgw h GLU 330 N 0.26 0.00 -0.67 4.02 9.09 -1.96 -3.48 114.58 121.84 2qgw h GLU 330 Ca -0.46 0.00 -0.10 0.00 0.05 0.00 0.00 59.36 58.86 2qgw h GLU 330 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.36 2qgw h GLU 330 CO 0.58 0.27 0.08 0.98 0.05 0.00 0.00 179.01 180.97 2qgw n TYR 331 N -3.23 0.19 -2.91 2.06 9.36 -1.26 -4.88 117.16 116.49 2qgw n TYR 331 Ca 0.02 0.13 -0.43 0.00 3.32 0.00 0.00 57.90 60.94 2qgw n TYR 331 Cb 0.58 -0.25 -0.05 0.00 -0.63 0.00 0.00 39.34 38.99 2qgw n TYR 331 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2qgw s ASP 332 N 0.35 6.41 -0.00 2.98 3.68 -1.26 -4.95 116.67 123.88 2qgw s ASP 332 Ca 0.12 -0.14 0.02 0.00 2.13 0.00 0.00 52.55 54.68 2qgw s ASP 332 Cb -0.17 -2.41 0.05 0.00 -1.45 0.00 0.00 42.92 38.95 2qgw s ASP 332 CO 0.09 -1.02 1.03 -0.81 0.13 0.00 0.00 175.17 174.60 2qgw n PRO 333 N 6.98 1.14 0.11 4.34 -0.04 -1.26 -2.98 135.00 143.29 2qgw n PRO 333 Ca 0.03 -0.22 0.06 0.00 -0.04 0.00 0.00 63.50 63.33 2qgw n PRO 333 Cb 0.48 -1.06 0.01 0.00 -0.04 0.00 0.00 33.50 32.90 2qgw n PRO 333 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2qgw h THR 334 N 0.35 0.35 -3.14 0.52 1.35 -2.02 -3.46 112.91 106.85 2qgw h THR 334 Ca 0.00 -1.57 -0.67 0.00 -0.55 0.00 0.00 66.41 63.62 2qgw h THR 334 Cb 0.09 1.96 -0.11 0.00 -1.73 0.00 0.00 68.15 68.36 2qgw h THR 334 CO 0.00 0.20 -0.58 -0.13 -0.25 0.00 0.00 175.52 174.75 2qgw s ARG 335 N -3.11 3.06 1.07 4.72 0.52 -1.16 -5.12 118.95 118.92 2qgw s ARG 335 Ca 0.01 -0.43 -0.18 0.00 -0.52 0.00 0.00 55.73 54.62 2qgw s ARG 335 Cb 0.08 -2.86 0.26 0.00 0.52 0.00 0.00 34.95 32.95 2qgw s ARG 335 CO 0.76 0.68 1.02 -0.35 0.02 0.00 0.00 175.30 177.44 2qgw n PRO 336 N 1.62 -2.64 -3.78 3.54 -0.04 -1.26 -4.94 135.00 127.51 2qgw n PRO 336 Ca -0.16 -1.62 -0.34 0.00 -0.04 0.00 0.00 63.50 61.34 2qgw n PRO 336 Cb 0.53 -1.43 -0.05 0.00 -0.04 0.00 0.00 33.50 32.51 2qgw n PRO 336 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2qgw s PHE 337 N -2.93 3.57 0.50 0.54 0.08 -1.26 -5.04 117.98 113.44 2qgw s PHE 337 Ca 0.65 0.54 0.05 0.00 0.12 0.00 0.00 56.93 58.29 2qgw s PHE 337 Cb -0.06 -1.97 0.01 0.00 -0.57 0.00 0.00 43.02 40.44 2qgw s PHE 337 CO 0.49 0.61 0.31 -1.54 -0.10 0.00 0.00 175.22 174.98 2qgw s SER 338 N -1.77 4.56 0.25 1.36 1.04 -1.26 -5.01 113.70 112.88 2qgw s SER 338 Ca 0.28 -1.22 -0.00 0.00 0.48 0.00 0.00 55.95 55.49 2qgw s SER 338 Cb -0.13 0.17 0.32 0.00 0.10 0.00 0.00 66.02 66.48 2qgw s SER 338 CO 0.17 -0.92 1.69 -0.08 0.98 0.00 0.00 173.24 175.07 2qgw h GLU 339 N 0.98 0.60 -0.21 4.02 4.81 -1.99 -2.57 114.58 120.22 2qgw h GLU 339 Ca -0.39 -0.23 -0.15 0.00 -0.13 0.00 0.00 59.36 58.46 2qgw h GLU 339 Cb 1.29 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2qgw h GLU 339 CO 0.62 0.78 -0.46 0.00 -0.73 0.00 0.00 179.01 179.23 2qgw h ALA 340 N 1.22 0.33 0.18 2.92 0.00 -1.90 -3.09 119.26 118.92 2qgw h ALA 340 Ca 0.08 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2qgw h ALA 340 Cb 0.69 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2qgw h ALA 340 CO 0.05 0.48 -0.09 0.66 0.00 0.00 0.00 179.25 180.35 2qgw h SER 341 N 0.37 -0.21 -0.39 0.00 4.64 -1.89 -0.83 113.55 115.24 2qgw h SER 341 Ca 0.00 -0.25 0.08 0.00 -0.47 0.00 0.00 61.79 61.15 2qgw h SER 341 Cb 1.06 0.05 -0.08 0.00 -0.31 0.00 0.00 62.40 63.13 2qgw h SER 341 CO 0.10 0.16 -0.16 -0.03 -0.87 0.00 0.00 176.83 176.03 2qgw h MET 342 N -0.60 -0.08 -0.71 4.77 -1.53 -1.59 0.14 114.93 115.33 2qgw h MET 342 Ca -0.03 0.01 -0.03 0.00 -3.44 0.00 0.00 59.70 56.21 2qgw h MET 342 Cb 0.44 0.02 -0.03 0.00 -0.55 0.00 0.00 31.60 31.48 2qgw h MET 342 CO 0.04 -0.05 0.30 1.98 0.14 0.00 0.00 176.91 179.32 2qgw h MET 343 N -0.08 1.03 -0.81 0.39 -1.53 -1.53 -0.35 114.93 112.04 2qgw h MET 343 Ca 0.19 -0.16 -0.04 0.00 -3.44 0.00 0.00 59.70 56.25 2qgw h MET 343 Cb 0.38 -0.18 -0.04 0.00 -0.55 0.00 0.00 31.60 31.21 2qgw h MET 343 CO -0.44 0.82 0.35 0.78 0.14 0.00 0.00 176.91 178.55 2qgw h GLY 344 N 1.08 1.28 0.95 1.39 0.00 -0.14 -1.35 103.07 106.27 2qgw h GLY 344 Ca 0.24 -0.67 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 2qgw h GLY 344 CO -0.03 0.63 0.17 1.41 0.00 0.00 0.00 176.54 178.73 2qgw h LEU 345 N 1.17 0.49 -0.37 3.11 4.07 0.04 0.03 115.31 123.84 2qgw h LEU 345 Ca 0.27 -0.13 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 2qgw h LEU 345 Cb 0.18 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 2qgw h LEU 345 CO -0.03 0.49 0.18 -0.07 -1.08 0.00 0.00 178.44 177.93 2qgw h LEU 346 N 0.46 0.49 0.10 1.67 4.07 -0.91 -1.84 115.31 119.35 2qgw h LEU 346 Ca 0.13 -0.13 -0.28 0.00 0.08 0.00 0.00 57.88 57.68 2qgw h LEU 346 Cb 0.13 -0.13 0.03 0.00 1.08 0.00 0.00 40.66 41.77 2qgw h LEU 346 CO -0.01 0.48 -1.16 0.71 -1.08 0.00 0.00 178.44 177.37 2qgw h THR 347 N 0.46 1.30 -0.23 0.22 1.35 -1.22 -2.01 112.91 112.78 2qgw h THR 347 Ca 0.13 -2.41 0.06 0.00 -0.55 0.00 0.00 66.41 63.64 2qgw h THR 347 Cb 0.12 2.67 -0.06 0.00 -1.73 0.00 0.00 68.15 69.15 2qgw h THR 347 CO -0.02 0.73 -0.15 -1.13 -0.25 0.00 0.00 175.52 174.71 2qgw h ASN 348 N 0.24 -0.48 -0.25 5.36 -0.73 -1.03 0.51 115.58 119.20 2qgw h ASN 348 Ca -0.17 0.10 0.05 0.00 1.87 0.00 0.00 56.30 58.15 2qgw h ASN 348 Cb 1.84 0.25 -0.05 0.00 0.27 0.00 0.00 38.32 40.63 2qgw h ASN 348 CO 0.22 -0.18 -0.09 0.25 -0.37 0.00 0.00 177.43 177.26 2qgw h LEU 349 N -0.13 -0.32 -0.95 0.34 5.85 -1.33 -2.28 115.31 116.48 2qgw h LEU 349 Ca 0.13 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 2qgw h LEU 349 Cb 0.33 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 2qgw h LEU 349 CO -0.31 -0.12 0.57 0.00 -0.34 0.00 0.00 178.44 178.24 2qgw h ALA 350 N 1.18 1.21 -0.71 1.25 0.00 -1.03 0.55 119.26 121.71 2qgw h ALA 350 Ca 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2qgw h ALA 350 Cb 0.24 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2qgw h ALA 350 CO -0.28 0.67 0.38 0.22 0.00 0.00 0.00 179.25 180.24 2qgw h ASP 351 N 1.31 0.89 0.35 0.00 1.82 -0.61 -0.01 116.42 120.16 2qgw h ASP 351 Ca 0.34 -0.07 -0.27 0.00 -0.39 0.00 0.00 57.03 56.64 2qgw h ASP 351 Cb -0.05 -0.23 0.01 0.00 0.68 0.00 0.00 39.33 39.75 2qgw h ASP 351 CO -0.06 0.72 -1.16 0.03 -1.61 0.00 0.00 179.24 177.16 2qgw h ARG 352 N 1.00 0.45 -0.23 0.28 3.08 -0.73 -3.23 114.38 115.00 2qgw h ARG 352 Ca 0.25 -0.61 -0.05 0.00 0.07 0.00 0.00 59.98 59.64 2qgw h ARG 352 Cb 0.04 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2qgw h ARG 352 CO -0.04 1.25 -0.10 0.93 -1.07 0.00 0.00 179.97 180.94 2qgw h GLU 353 N 0.20 0.36 -0.80 0.04 5.08 -0.81 -2.91 114.58 115.74 2qgw h GLU 353 Ca -0.14 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2qgw h GLU 353 Cb 1.83 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 31.00 2qgw h GLU 353 CO 0.21 0.47 0.46 -0.07 -1.00 0.00 0.00 179.01 179.08 2qgw h LEU 354 N 0.34 0.98 -0.58 1.33 3.38 -1.01 -0.29 115.31 119.46 2qgw h LEU 354 Ca 0.07 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qgw h LEU 354 Cb 0.39 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2qgw h LEU 354 CO 0.02 0.77 0.36 0.58 0.09 0.00 0.00 178.44 180.26 2qgw h VAL 355 N 1.11 1.16 0.00 1.22 2.07 -1.56 -2.20 116.25 118.05 2qgw h VAL 355 Ca 0.29 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 2qgw h VAL 355 Cb -0.01 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 2qgw h VAL 355 CO -0.05 0.16 -0.42 0.45 0.02 0.00 0.00 177.57 177.74 2qgw h HIS 356 N 0.78 0.00 -0.60 1.57 3.86 -1.50 -3.03 115.15 116.24 2qgw h HIS 356 Ca 0.21 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.34 2qgw h HIS 356 Cb -0.05 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.40 2qgw h HIS 356 CO -0.03 0.42 0.06 1.98 0.86 0.00 0.00 177.93 181.22 2qgw h MET 357 N 0.00 0.99 -0.38 2.45 -1.53 -0.69 0.05 114.93 115.82 2qgw h MET 357 Ca -0.00 -0.27 -0.00 0.00 -3.44 0.00 0.00 59.70 55.98 2qgw h MET 357 Cb 1.07 -0.11 -0.02 0.00 -0.55 0.00 0.00 31.60 31.99 2qgw h MET 357 CO 0.05 0.94 0.24 0.82 0.14 0.00 0.00 176.91 179.10 2qgw h ILE 358 N 0.92 1.12 -0.85 1.77 2.04 -1.29 0.16 117.51 121.38 2qgw h ILE 358 Ca 0.18 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 2qgw h ILE 358 Cb 0.46 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 2qgw h ILE 358 CO 0.02 0.12 0.52 0.78 0.00 0.00 0.00 178.15 179.59 2qgw h ASN 359 N 0.50 1.01 -0.61 1.72 2.35 -1.43 -2.53 115.58 116.58 2qgw h ASN 359 Ca 0.14 -0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 2qgw h ASN 359 Cb -0.01 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 2qgw h ASN 359 CO -0.03 0.77 0.01 -0.25 -1.65 0.00 0.00 177.43 176.28 2qgw h TRP 360 N 1.16 1.17 -0.58 1.19 7.01 -0.58 -3.01 115.95 122.30 2qgw h TRP 360 Ca 0.31 -0.20 -0.02 0.00 2.11 0.00 0.00 58.89 61.09 2qgw h TRP 360 Cb -0.07 -0.31 -0.03 0.00 -2.10 0.00 0.00 29.16 26.66 2qgw h TRP 360 CO -0.00 1.02 0.29 0.00 -2.79 0.00 0.00 178.44 176.96 2qgw h ALA 361 N 1.01 0.75 0.00 2.65 0.00 -0.46 -2.03 119.26 121.18 2qgw h ALA 361 Ca 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2qgw h ALA 361 Cb 0.55 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2qgw h ALA 361 CO 0.03 0.31 -0.05 0.87 0.00 0.00 0.00 179.25 180.41 2qgw h LYS 362 N 0.79 0.00 -0.01 0.00 1.57 -1.42 -1.61 116.57 115.90 2qgw h LYS 362 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2qgw h LYS 362 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2qgw h LYS 362 CO -0.03 0.05 -0.20 0.54 -0.57 0.00 0.00 179.45 179.24 2qgw n ARG 363 N -3.95 0.96 -2.39 3.15 1.74 -0.80 -4.41 116.66 110.95 2qgw n ARG 363 Ca -0.03 -0.54 -0.43 0.00 -0.77 0.00 0.00 57.85 56.08 2qgw n ARG 363 Cb 0.13 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.06 2qgw n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qgw s VAL 364 N -2.42 4.18 0.07 1.55 1.01 -0.61 -4.82 120.40 119.36 2qgw s VAL 364 Ca 0.27 1.39 -0.37 0.00 0.00 0.00 0.00 61.98 63.28 2qgw s VAL 364 Cb 0.20 -4.00 -0.16 0.00 0.00 0.00 0.00 36.38 32.41 2qgw s VAL 364 CO 0.49 -0.24 1.39 -2.65 0.00 0.00 0.00 175.10 174.08 2qgw n PRO 365 N 6.90 1.24 0.00 2.72 -0.02 -1.26 -1.13 135.00 143.45 2qgw n PRO 365 Ca 0.15 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 2qgw n PRO 365 Cb 0.45 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 2qgw n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qgw n GLY 366 N 2.71 3.19 0.25 -1.23 0.00 -1.26 -4.90 105.19 103.95 2qgw n GLY 366 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 2qgw n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2qgw h PHE 367 N 0.00 0.89 0.00 1.61 3.57 -1.40 -2.49 116.94 119.12 2qgw h PHE 367 Ca 0.00 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2qgw h PHE 367 Cb 0.00 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.49 2qgw h PHE 367 CO 0.00 0.79 0.00 -0.24 -2.23 0.00 0.00 178.31 176.63 2qgw h VAL 368 N 0.74 0.00 0.00 1.41 3.04 -1.77 -1.93 116.25 117.74 2qgw h VAL 368 Ca 0.16 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.51 2qgw h VAL 368 Cb 0.36 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 2qgw h VAL 368 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.57 177.00 2qgw h ASP 369 N 0.00 0.00 -4.13 3.17 3.32 -1.82 -3.46 116.42 113.50 2qgw h ASP 369 Ca 0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 2qgw h ASP 369 Cb 0.36 0.00 0.03 0.00 0.22 0.00 0.00 39.33 39.93 2qgw h ASP 369 CO 0.00 0.00 0.37 -0.76 -1.72 0.00 0.00 179.24 177.13 2qgw s LEU 370 N -6.00 3.72 0.74 1.55 1.43 -0.73 -5.03 118.68 114.37 2qgw s LEU 370 Ca 0.04 1.79 -0.15 0.00 -1.03 0.00 0.00 54.13 54.77 2qgw s LEU 370 Cb 0.08 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.77 2qgw s LEU 370 CO 0.58 -0.78 0.96 0.35 0.23 0.00 0.00 176.35 177.70 2qgw n THR 371 N -1.33 2.55 -0.21 5.49 -2.24 -1.26 -4.78 114.28 112.50 2qgw n THR 371 Ca 0.08 -0.34 0.07 0.00 -2.27 0.00 0.00 64.05 61.59 2qgw n THR 371 Cb 0.53 -1.08 0.34 0.00 -2.10 0.00 0.00 70.33 68.02 2qgw n THR 371 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2qgw h LEU 372 N -0.40 0.70 -0.47 3.22 5.85 -1.95 -1.12 115.31 121.13 2qgw h LEU 372 Ca -0.47 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.15 2qgw h LEU 372 Cb 1.33 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2qgw h LEU 372 CO 0.46 0.44 -0.14 0.45 -0.34 0.00 0.00 178.44 179.32 2qgw h HIS 373 N 0.79 1.05 -0.44 1.25 3.86 -2.00 -1.95 115.15 117.71 2qgw h HIS 373 Ca 0.34 -0.23 -0.10 0.00 -1.16 0.00 0.00 60.37 59.22 2qgw h HIS 373 Cb 0.31 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 2qgw h HIS 373 CO -0.00 1.02 -0.12 -0.44 0.86 0.00 0.00 177.93 179.25 2qgw h ASP 374 N 0.78 0.78 -0.11 2.45 3.32 -1.73 -1.96 116.42 119.95 2qgw h ASP 374 Ca 0.12 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 2qgw h ASP 374 Cb 0.69 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 2qgw h ASP 374 CO 0.05 0.92 0.04 1.56 -1.72 0.00 0.00 179.24 180.09 2qgw h GLN 375 N 0.71 0.16 -0.47 3.56 4.20 -1.12 -2.18 115.11 119.97 2qgw h GLN 375 Ca 0.12 -0.03 0.09 0.00 0.06 0.00 0.00 58.65 58.89 2qgw h GLN 375 Cb 0.60 -0.03 -0.09 0.00 0.30 0.00 0.00 27.48 28.27 2qgw h GLN 375 CO 0.04 0.26 -0.10 0.28 -0.67 0.00 0.00 178.83 178.64 2qgw h VAL 376 N 0.02 0.55 -0.78 -0.54 2.07 -1.30 -1.84 116.25 114.43 2qgw h VAL 376 Ca 0.04 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 2qgw h VAL 376 Cb 0.16 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2qgw h VAL 376 CO -0.00 0.00 0.38 -0.74 0.02 0.00 0.00 177.57 177.23 2qgw h HIS 377 N 0.02 1.12 0.09 1.57 -0.00 -1.23 -0.09 115.15 116.62 2qgw h HIS 377 Ca 0.23 -0.05 -0.00 0.00 -0.00 0.00 0.00 60.37 60.54 2qgw h HIS 377 Cb 0.35 -0.35 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2qgw h HIS 377 CO -0.38 0.81 -0.04 -0.07 -0.00 0.00 0.00 177.93 178.24 2qgw h LEU 378 N 1.10 -0.10 -0.64 0.26 3.38 -1.11 -1.43 115.31 116.76 2qgw h LEU 378 Ca 0.27 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qgw h LEU 378 Cb 0.11 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2qgw h LEU 378 CO -0.03 0.21 0.39 -0.07 0.09 0.00 0.00 178.44 179.03 2qgw h LEU 379 N -0.43 0.76 -0.89 1.67 3.38 -1.31 -0.99 115.31 117.50 2qgw h LEU 379 Ca -0.01 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.97 2qgw h LEU 379 Cb 0.36 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.86 2qgw h LEU 379 CO 0.02 0.59 0.55 -0.33 0.09 0.00 0.00 178.44 179.36 2qgw h GLU 380 N 0.86 0.97 -0.26 1.13 5.08 -1.00 -0.66 114.58 120.71 2qgw h GLU 380 Ca 0.23 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 2qgw h GLU 380 Cb -0.04 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 28.99 2qgw h GLU 380 CO -0.04 0.64 -0.24 0.00 -1.00 0.00 0.00 179.01 178.37 2qgw n ALA 382 N -2.47 4.01 -0.31 0.00 0.00 -0.41 -4.72 120.51 116.61 2qgw n ALA 382 Ca -0.04 -0.62 0.04 0.00 0.00 0.00 0.00 53.44 52.82 2qgw n ALA 382 Cb 0.44 -0.77 0.19 0.00 0.00 0.00 0.00 19.45 19.30 2qgw n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2qgw h TRP 383 N 1.47 0.92 0.00 0.00 5.08 -1.29 0.26 115.95 122.39 2qgw h TRP 383 Ca 0.00 0.03 -0.18 0.00 1.08 0.00 0.00 58.89 59.82 2qgw h TRP 383 Cb 0.65 -0.28 -0.03 0.00 -3.00 0.00 0.00 29.16 26.50 2qgw h TRP 383 CO 0.00 0.36 -0.84 1.25 -1.28 0.00 0.00 178.44 177.93 2qgw h LEU 384 N 0.83 0.00 -0.78 0.11 5.85 -1.86 -2.07 115.31 117.39 2qgw h LEU 384 Ca 0.43 0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.18 2qgw h LEU 384 Cb 0.42 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 2qgw h LEU 384 CO -0.26 0.84 0.50 -0.33 -0.34 0.00 0.00 178.44 178.85 2qgw h GLU 385 N 0.00 0.95 -0.24 1.25 5.08 -1.33 -0.82 114.58 119.47 2qgw h GLU 385 Ca -0.01 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 2qgw h GLU 385 Cb 1.49 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 2qgw h GLU 385 CO 0.11 0.63 -0.10 0.82 -1.00 0.00 0.00 179.01 179.47 2qgw h ILE 386 N 0.98 1.30 -0.55 3.13 2.04 -0.98 -1.20 117.51 122.22 2qgw h ILE 386 Ca 0.31 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 65.02 2qgw h ILE 386 Cb 0.00 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 2qgw h ILE 386 CO -0.11 0.36 0.36 -0.07 0.00 0.00 0.00 178.15 178.68 2qgw h LEU 387 N 0.22 0.65 -0.36 1.44 3.38 -1.29 -1.62 115.31 117.72 2qgw h LEU 387 Ca 0.06 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 2qgw h LEU 387 Cb 0.59 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2qgw h LEU 387 CO 0.03 0.48 -0.07 0.24 0.09 0.00 0.00 178.44 179.22 2qgw h MET 388 N 0.75 0.69 -0.12 1.13 2.86 -1.01 -1.00 114.93 118.22 2qgw h MET 388 Ca 0.20 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 2qgw h MET 388 Cb -0.06 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 2qgw h MET 388 CO -0.04 0.83 -0.16 0.97 1.06 0.00 0.00 176.91 179.57 2qgw h ILE 389 N 0.48 1.18 0.14 -1.22 2.10 -1.16 0.88 117.51 119.91 2qgw h ILE 389 Ca 0.09 -0.82 0.01 0.00 1.08 0.00 0.00 64.86 65.23 2qgw h ILE 389 Cb 0.57 1.26 -0.02 0.00 -1.09 0.00 0.00 36.82 37.54 2qgw h ILE 389 CO 0.03 0.25 -0.19 1.23 -1.08 0.00 0.00 178.15 178.39 2qgw h GLY 390 N 0.75 -0.38 0.82 8.18 0.00 -0.99 -1.53 103.07 109.93 2qgw h GLY 390 Ca 0.04 0.22 0.02 0.00 0.00 0.00 0.00 47.33 47.62 2qgw h GLY 390 CO 0.02 -0.18 0.13 -2.00 0.00 0.00 0.00 176.54 174.51 2qgw h LEU 391 N -0.39 0.18 -0.72 3.11 5.85 -0.40 -1.62 115.31 121.32 2qgw h LEU 391 Ca 0.02 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2qgw h LEU 391 Cb 0.39 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2qgw h LEU 391 CO -0.08 0.14 0.40 0.58 -0.34 0.00 0.00 178.44 179.14 2qgw h VAL 392 N 0.28 1.22 0.09 1.05 2.07 -0.85 -1.11 116.25 119.00 2qgw h VAL 392 Ca 0.13 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 2qgw h VAL 392 Cb 0.06 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.10 2qgw h VAL 392 CO -0.10 0.24 -0.04 -0.25 0.02 0.00 0.00 177.57 177.43 2qgw h TRP 393 N 0.99 -0.11 0.00 1.57 2.91 -0.68 -2.68 115.95 117.95 2qgw h TRP 393 Ca 0.25 -0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.23 2qgw h TRP 393 Cb 0.03 0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 28.71 2qgw h TRP 393 CO -0.00 0.04 -0.19 0.07 -1.03 0.00 0.00 178.44 177.32 2qgw h ARG 394 N -0.24 0.00 0.00 2.65 0.11 -1.20 -1.57 114.38 114.13 2qgw h ARG 394 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2qgw h ARG 394 Cb 0.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.28 2qgw h ARG 394 CO 0.02 0.19 0.00 0.43 0.10 0.00 0.00 179.97 180.71 2qgw n SER 395 N -3.29 0.00 -0.22 0.08 7.64 -0.43 -4.32 113.62 113.08 2qgw n SER 395 Ca 0.01 -0.18 -0.01 0.00 1.01 0.00 0.00 58.87 59.70 2qgw n SER 395 Cb 0.46 -0.23 0.10 0.00 -1.01 0.00 0.00 64.21 63.52 2qgw n SER 395 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 2qgw h MET 396 N 0.00 0.57 -0.83 1.43 -1.53 -0.93 -1.53 114.93 112.11 2qgw h MET 396 Ca 0.00 -0.03 -0.13 0.00 -3.44 0.00 0.00 59.70 56.10 2qgw h MET 396 Cb 0.18 -0.13 -0.08 0.00 -0.55 0.00 0.00 31.60 31.03 2qgw h MET 396 CO 0.00 0.38 0.16 -0.85 0.14 0.00 0.00 176.91 176.74 2qgw n GLU 397 N -4.86 2.93 -3.36 0.39 0.28 -1.26 -4.49 120.64 110.26 2qgw n GLU 397 Ca 0.08 -2.04 -0.26 0.00 -0.16 0.00 0.00 57.16 54.78 2qgw n GLU 397 Cb 0.21 -1.92 -0.08 0.00 1.43 0.00 0.00 31.44 31.07 2qgw n GLU 397 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2qgw n HIS 398 N 0.04 1.08 -1.60 -1.84 8.25 -0.58 -5.10 115.22 115.47 2qgw n HIS 398 Ca 0.26 -3.77 -0.51 0.00 -0.26 0.00 0.00 57.72 53.44 2qgw n HIS 398 Cb 1.03 -0.34 -0.06 0.00 1.12 0.00 0.00 29.99 31.74 2qgw n HIS 398 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2qgw n PRO 399 N 1.54 1.30 -0.04 -0.41 -0.02 -1.26 -1.11 135.00 135.00 2qgw n PRO 399 Ca 0.25 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 2qgw n PRO 399 Cb 0.47 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 2qgw n PRO 399 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qgw n GLY 400 N 2.65 1.93 3.31 -1.23 0.00 -1.26 -5.02 105.19 105.57 2qgw n GLY 400 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 2qgw n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qgw s LYS 401 N -0.33 1.30 -0.26 1.61 1.02 -0.27 -2.44 119.74 120.36 2qgw s LYS 401 Ca 0.00 -1.16 -0.08 0.00 0.02 0.00 0.00 55.97 54.75 2qgw s LYS 401 Cb 0.00 -1.59 -0.03 0.00 -0.52 0.00 0.00 37.83 35.70 2qgw s LYS 401 CO 0.00 0.38 0.10 -0.51 -0.92 0.00 0.00 175.35 174.40 2qgw s LEU 402 N -1.75 3.64 -1.22 3.17 1.43 -0.69 -4.78 118.68 118.48 2qgw s LEU 402 Ca 0.09 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 52.81 2qgw s LEU 402 Cb -0.10 -1.96 0.18 0.00 0.03 0.00 0.00 46.19 44.35 2qgw s LEU 402 CO 0.04 -0.07 1.52 -0.11 0.23 0.00 0.00 176.35 177.96 2qgw n LEU 403 N 4.95 5.58 -0.25 1.79 0.00 -1.26 -1.46 117.00 126.35 2qgw n LEU 403 Ca -0.15 -4.56 0.01 0.00 0.00 0.00 0.00 56.01 51.30 2qgw n LEU 403 Cb 0.51 -1.57 0.13 0.00 0.00 0.00 0.00 43.42 42.49 2qgw n LEU 403 CO 0.32 0.93 1.10 -0.26 0.00 0.00 0.00 177.39 179.48 2qgw h PHE 404 N 6.75 0.73 -3.57 1.96 0.04 -1.75 -3.42 116.94 117.67 2qgw h PHE 404 Ca 0.32 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 61.07 2qgw h PHE 404 Cb 0.81 -0.22 -0.10 0.00 2.20 0.00 0.00 35.95 38.64 2qgw h PHE 404 CO 1.11 0.31 -0.11 0.00 -0.60 0.00 0.00 178.31 179.02 2qgw s ALA 405 N -6.07 -0.45 0.44 2.45 0.00 -1.00 -4.93 121.76 112.21 2qgw s ALA 405 Ca -0.13 -0.62 0.20 0.00 0.00 0.00 0.00 51.96 51.41 2qgw s ALA 405 Cb 0.18 0.92 1.15 0.00 0.00 0.00 0.00 23.12 25.37 2qgw s ALA 405 CO 0.77 -0.78 1.86 -1.35 0.00 0.00 0.00 175.76 176.26 2qgw h PRO 406 N 2.31 0.33 -0.45 0.00 0.11 -1.88 -0.81 132.00 131.61 2qgw h PRO 406 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2qgw h PRO 406 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2qgw h PRO 406 CO 0.39 0.22 0.00 0.27 -0.21 0.00 0.00 178.00 178.67 2qgw n ASN 407 N -4.48 4.51 -3.38 -2.05 6.94 -1.26 -4.61 115.26 110.92 2qgw n ASN 407 Ca 0.19 -2.76 -0.26 0.00 -0.02 0.00 0.00 54.58 51.73 2qgw n ASN 407 Cb 0.73 -0.56 -0.10 0.00 -2.36 0.00 0.00 39.78 37.50 2qgw n ASN 407 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 2qgw s LEU 408 N -2.39 1.20 -0.35 -4.53 2.96 -0.31 -4.88 118.68 110.38 2qgw s LEU 408 Ca 0.46 -2.85 -0.05 0.00 -0.22 0.00 0.00 54.13 51.47 2qgw s LEU 408 Cb 0.34 -0.33 0.06 0.00 0.50 0.00 0.00 46.19 46.75 2qgw s LEU 408 CO 0.15 -0.19 0.11 -0.22 -1.32 0.00 0.00 176.35 174.88 2qgw s LEU 409 N 0.29 4.43 -0.20 -0.68 2.96 -1.25 -2.09 118.68 122.15 2qgw s LEU 409 Ca 0.30 -1.34 -0.06 0.00 -0.22 0.00 0.00 54.13 52.81 2qgw s LEU 409 Cb -0.01 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 2qgw s LEU 409 CO -0.16 -0.36 0.02 -0.76 -1.32 0.00 0.00 176.35 173.77 2qgw s LEU 410 N 1.33 3.41 0.73 -0.68 1.43 -0.53 -4.91 118.68 119.45 2qgw s LEU 410 Ca -0.01 -0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 52.82 2qgw s LEU 410 Cb -0.20 -1.86 0.04 0.00 0.03 0.00 0.00 46.19 44.19 2qgw s LEU 410 CO 0.01 0.09 1.21 -1.81 0.23 0.00 0.00 176.35 176.08 2qgw s ASP 411 N 0.83 4.18 0.27 2.29 -0.00 -1.26 -1.70 116.67 121.28 2qgw s ASP 411 Ca 0.01 2.38 -0.00 0.00 -0.00 0.00 0.00 52.55 54.94 2qgw s ASP 411 Cb -0.14 -2.59 0.62 0.00 -0.00 0.00 0.00 42.92 40.81 2qgw s ASP 411 CO 0.02 -2.28 1.66 -0.09 -0.00 0.00 0.00 175.17 174.48 2qgw h ARG 412 N -0.28 0.22 0.00 8.23 1.12 -1.88 -1.19 114.38 120.60 2qgw h ARG 412 Ca -0.48 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.38 2qgw h ARG 412 Cb 1.30 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 31.21 2qgw h ARG 412 CO 0.50 0.14 -0.01 -0.91 -3.11 0.00 0.00 179.97 176.58 2qgw h ASN 413 N 0.22 0.00 1.09 -3.80 -0.26 -1.91 -2.86 115.58 108.06 2qgw h ASN 413 Ca 0.51 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.25 2qgw h ASN 413 Cb 0.97 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.23 2qgw h ASN 413 CO -0.62 0.01 0.00 0.00 -1.06 0.00 0.00 177.43 175.77 2qgw n GLN 414 N -3.12 0.23 0.29 0.81 6.02 -0.45 -2.60 117.38 118.57 2qgw n GLN 414 Ca -0.00 0.33 0.19 0.00 -0.01 0.00 0.00 57.00 57.50 2qgw n GLN 414 Cb 0.27 -1.85 0.82 0.00 1.02 0.00 0.00 30.24 30.50 2qgw n GLN 414 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 2qgw h GLY 415 N 3.32 0.00 2.00 1.08 0.00 -1.56 -2.89 103.07 105.03 2qgw h GLY 415 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 2qgw h GLY 415 CO 0.00 0.00 -0.28 0.50 0.00 0.00 0.00 176.54 176.76 2qgw h LYS 416 N 0.00 0.00 -0.68 4.80 1.57 -1.69 -2.89 116.57 117.68 2qgw h LYS 416 Ca -0.00 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 58.98 2qgw h LYS 416 Cb 0.39 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 2qgw h LYS 416 CO 0.00 0.28 0.62 0.00 -0.57 0.00 0.00 179.45 179.78 2qgw s VAL 418 N -4.73 2.69 0.14 0.00 1.01 -1.09 -3.96 120.40 114.44 2qgw s VAL 418 Ca -0.04 -0.80 -0.31 0.00 0.00 0.00 0.00 61.98 60.82 2qgw s VAL 418 Cb 0.18 -2.09 -0.09 0.00 0.00 0.00 0.00 36.38 34.38 2qgw s VAL 418 CO 0.63 0.54 1.50 -1.61 0.00 0.00 0.00 175.10 176.16 2qgw s GLU 419 N 0.23 4.25 0.00 2.72 0.41 -1.26 -1.87 118.70 123.18 2qgw s GLU 419 Ca -0.11 2.24 0.00 0.00 -0.41 0.00 0.00 54.97 56.69 2qgw s GLU 419 Cb -0.16 -3.22 0.00 0.00 -1.78 0.00 0.00 34.13 28.97 2qgw s GLU 419 CO 0.06 -0.55 0.00 0.41 -0.49 0.00 0.00 175.26 174.69 2qgw n GLY 420 N 3.67 1.37 0.11 -1.39 0.00 -1.26 -4.91 105.19 102.78 2qgw n GLY 420 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 2qgw n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2qgw h MET 421 N 2.83 0.30 -0.04 1.61 -1.53 -1.53 -3.35 114.93 113.23 2qgw h MET 421 Ca 0.00 -0.49 -0.06 0.00 -3.44 0.00 0.00 59.70 55.71 2qgw h MET 421 Cb 0.00 0.18 -0.01 0.00 -0.55 0.00 0.00 31.60 31.22 2qgw h MET 421 CO 0.00 1.22 -0.26 -0.24 0.14 0.00 0.00 176.91 177.77 2qgw h VAL 422 N 0.09 1.20 -0.78 -5.77 3.04 -1.76 0.74 116.25 113.03 2qgw h VAL 422 Ca -0.13 -0.96 -0.02 0.00 -1.01 0.00 0.00 66.70 64.59 2qgw h VAL 422 Cb 1.94 1.46 -0.04 0.00 -2.01 0.00 0.00 31.29 32.65 2qgw h VAL 422 CO 0.20 0.28 0.42 -0.33 -1.01 0.00 0.00 177.57 177.14 2qgw h GLU 423 N 0.06 1.08 -0.09 4.17 3.07 -1.93 0.41 114.58 121.35 2qgw h GLU 423 Ca 0.01 -0.12 -0.05 0.00 -0.50 0.00 0.00 59.36 58.69 2qgw h GLU 423 Cb 0.49 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 2qgw h GLU 423 CO 0.04 0.79 -0.16 0.82 -1.40 0.00 0.00 179.01 179.10 2qgw h ILE 424 N 1.08 1.39 -0.50 3.13 2.04 -1.07 -2.95 117.51 120.64 2qgw h ILE 424 Ca 0.27 -1.43 0.09 0.00 1.00 0.00 0.00 64.86 64.80 2qgw h ILE 424 Cb 0.03 2.12 -0.08 0.00 -0.74 0.00 0.00 36.82 38.15 2qgw h ILE 424 CO -0.04 0.41 0.05 -0.26 0.00 0.00 0.00 178.15 178.30 2qgw h PHE 425 N -0.19 0.07 -0.76 1.37 -1.00 -0.97 -1.29 116.94 114.16 2qgw h PHE 425 Ca 0.01 0.03 0.09 0.00 2.81 0.00 0.00 57.97 60.91 2qgw h PHE 425 Cb 0.73 0.05 -0.07 0.00 3.61 0.00 0.00 35.95 40.27 2qgw h PHE 425 CO 0.11 -0.06 0.41 -0.44 -1.61 0.00 0.00 178.31 176.72 2qgw h ASP 426 N 0.17 0.57 -0.35 2.17 3.32 -0.91 0.24 116.42 121.62 2qgw h ASP 426 Ca 0.25 0.05 -0.14 0.00 0.02 0.00 0.00 57.03 57.22 2qgw h ASP 426 Cb 0.36 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2qgw h ASP 426 CO -0.37 0.33 -0.29 0.24 -1.72 0.00 0.00 179.24 177.42 2qgw h MET 427 N 0.70 0.88 -0.25 3.56 2.86 -1.17 -1.44 114.93 120.07 2qgw h MET 427 Ca 0.37 -0.40 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2qgw h MET 427 Cb 0.36 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 2qgw h MET 427 CO -0.25 1.05 0.12 -0.07 1.06 0.00 0.00 176.91 178.82 2qgw h LEU 428 N 0.74 0.32 -0.63 1.22 3.38 -0.63 -2.12 115.31 117.59 2qgw h LEU 428 Ca 0.08 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2qgw h LEU 428 Cb 0.85 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 2qgw h LEU 428 CO 0.07 0.35 0.30 -0.07 0.09 0.00 0.00 178.44 179.19 2qgw h LEU 429 N 0.27 0.83 -1.52 1.67 3.38 -0.47 -1.40 115.31 118.07 2qgw h LEU 429 Ca 0.08 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2qgw h LEU 429 Cb 0.12 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2qgw h LEU 429 CO -0.01 0.73 -0.18 0.00 0.09 0.00 0.00 178.44 179.07 2qgw h ALA 430 N 1.13 1.60 -0.21 1.53 0.00 -1.21 -0.15 119.26 121.95 2qgw h ALA 430 Ca 0.22 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 2qgw h ALA 430 Cb 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2qgw h ALA 430 CO -0.03 0.29 -0.42 1.15 0.00 0.00 0.00 179.25 180.24 2qgw h THR 431 N 0.08 1.32 -0.21 0.00 2.02 -1.03 -1.56 112.91 113.53 2qgw h THR 431 Ca 0.02 -1.64 0.01 0.00 0.77 0.00 0.00 66.41 65.56 2qgw h THR 431 Cb 0.37 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 2qgw h THR 431 CO 0.03 0.51 0.12 -1.28 0.37 0.00 0.00 175.52 175.27 2qgw h SER 432 N 0.37 0.21 -0.86 4.18 0.87 -1.10 0.09 113.55 117.31 2qgw h SER 432 Ca 0.01 -0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.67 2qgw h SER 432 Cb 1.03 -0.04 -0.08 0.00 -0.44 0.00 0.00 62.40 62.87 2qgw h SER 432 CO 0.09 0.15 0.50 0.28 -0.53 0.00 0.00 176.83 177.33 2qgw h SER 433 N 0.26 0.72 0.10 6.23 0.02 -1.02 0.07 113.55 119.94 2qgw h SER 433 Ca 0.08 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2qgw h SER 433 Cb -0.01 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 2qgw h SER 433 CO -0.03 0.41 -0.07 -0.09 -1.14 0.00 0.00 176.83 175.90 2qgw h ARG 434 N 0.83 -0.17 -0.62 3.45 9.65 -0.84 -0.80 114.38 125.87 2qgw h ARG 434 Ca 0.42 0.01 0.13 0.00 -1.10 0.00 0.00 59.98 59.44 2qgw h ARG 434 Cb 0.38 0.04 -0.10 0.00 -1.39 0.00 0.00 29.97 28.90 2qgw h ARG 434 CO -0.25 -0.11 0.00 0.74 2.80 0.00 0.00 179.97 183.15 2qgw h PHE 435 N -0.18 -0.04 -0.78 2.20 -1.00 -0.35 -1.29 116.94 115.51 2qgw h PHE 435 Ca -0.00 0.05 -0.03 0.00 2.81 0.00 0.00 57.97 60.79 2qgw h PHE 435 Cb 0.16 0.11 -0.04 0.00 3.61 0.00 0.00 35.95 39.79 2qgw h PHE 435 CO -0.09 -0.16 0.36 -0.09 -1.61 0.00 0.00 178.31 176.72 2qgw h ARG 436 N 0.12 1.13 0.00 1.51 2.43 -0.72 -0.04 114.38 118.81 2qgw h ARG 436 Ca 0.32 -0.17 -0.10 0.00 -0.81 0.00 0.00 59.98 59.22 2qgw h ARG 436 Cb 0.52 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2qgw h ARG 436 CO -0.53 0.89 -0.47 0.00 -1.51 0.00 0.00 179.97 178.35 2qgw h MET 437 N 1.11 0.00 0.00 0.20 -0.00 -0.64 -2.49 114.93 113.11 2qgw h MET 437 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.97 2qgw h MET 437 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.74 2qgw h MET 437 CO -0.03 0.47 0.00 0.52 -0.00 0.00 0.00 176.91 177.87 2qgw h MET 438 N 0.00 0.00 -5.60 -0.10 2.86 -0.91 -3.48 114.93 107.70 2qgw h MET 438 Ca -0.00 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.34 2qgw h MET 438 Cb 1.08 0.00 0.18 0.00 0.06 0.00 0.00 31.60 32.91 2qgw h MET 438 CO 0.06 0.00 -0.85 -1.71 1.06 0.00 0.00 176.91 175.47 2qgw n ASN 439 N -2.68 -5.27 -4.74 1.22 5.15 -0.10 -4.92 115.26 103.91 2qgw n ASN 439 Ca 0.04 -0.73 -0.41 0.00 -0.60 0.00 0.00 54.58 52.88 2qgw n ASN 439 Cb 0.46 -4.96 -0.02 0.00 -0.53 0.00 0.00 39.78 34.72 2qgw n ASN 439 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2qgw s LEU 440 N -5.77 4.37 0.20 1.20 2.96 -0.76 -5.00 118.68 115.89 2qgw s LEU 440 Ca 0.34 2.73 0.01 0.00 -0.22 0.00 0.00 54.13 56.99 2qgw s LEU 440 Cb -0.05 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 2qgw s LEU 440 CO 0.75 -0.77 0.36 -1.10 -1.32 0.00 0.00 176.35 174.28 2qgw s GLN 441 N -0.24 3.48 0.17 1.98 -1.52 -1.26 -4.97 119.66 117.30 2qgw s GLN 441 Ca 0.61 -0.49 -0.15 0.00 -1.95 0.00 0.00 55.36 53.39 2qgw s GLN 441 Cb -0.44 -2.88 0.10 0.00 -0.22 0.00 0.00 33.01 29.58 2qgw s GLN 441 CO 0.43 0.43 1.74 0.78 -0.25 0.00 0.00 175.29 178.42 2qgw h GLY 442 N 1.83 0.51 1.47 3.09 0.00 -1.99 -0.52 103.07 107.46 2qgw h GLY 442 Ca -0.49 -0.06 0.05 0.00 0.00 0.00 0.00 47.33 46.83 2qgw h GLY 442 CO 0.67 0.00 0.25 0.83 0.00 0.00 0.00 176.54 178.29 2qgw h GLU 443 N 0.27 0.30 0.06 4.80 3.07 -1.99 -1.62 114.58 119.47 2qgw h GLU 443 Ca 0.19 -0.02 -0.25 0.00 -0.50 0.00 0.00 59.36 58.78 2qgw h GLU 443 Cb 0.20 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 28.05 2qgw h GLU 443 CO -0.21 0.20 -1.08 0.93 -1.40 0.00 0.00 179.01 177.45 2qgw h GLU 444 N 0.31 0.42 -0.16 2.33 5.08 -1.69 -3.16 114.58 117.71 2qgw h GLU 444 Ca 0.16 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2qgw h GLU 444 Cb 0.24 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2qgw h GLU 444 CO -0.03 1.19 0.10 0.35 -1.00 0.00 0.00 179.01 179.62 2qgw h PHE 445 N 0.20 0.21 -0.18 4.33 3.57 -0.25 -1.39 116.94 123.43 2qgw h PHE 445 Ca -0.11 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.35 2qgw h PHE 445 Cb 1.74 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.40 2qgw h PHE 445 CO 0.07 0.16 -0.05 -0.39 -2.23 0.00 0.00 178.31 175.87 2qgw h VAL 446 N 0.20 1.15 -0.24 1.41 -1.51 -1.42 -1.27 116.25 114.57 2qgw h VAL 446 Ca 0.06 -0.60 -0.04 0.00 -1.23 0.00 0.00 66.70 64.88 2qgw h VAL 446 Cb 0.00 1.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.22 2qgw h VAL 446 CO -0.01 0.20 -0.03 0.00 -1.23 0.00 0.00 177.57 176.50 2qgw h LEU 448 N 0.19 0.66 -0.48 0.00 3.38 -0.53 -1.03 115.31 117.49 2qgw h LEU 448 Ca 0.06 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2qgw h LEU 448 Cb 0.46 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2qgw h LEU 448 CO 0.02 0.58 0.32 0.50 0.09 0.00 0.00 178.44 179.95 2qgw h LYS 449 N 0.69 0.63 -0.47 1.13 3.64 -1.33 -1.57 116.57 119.30 2qgw h LYS 449 Ca 0.18 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2qgw h LYS 449 Cb 0.08 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2qgw h LYS 449 CO -0.03 0.42 0.30 0.77 -2.27 0.00 0.00 179.45 178.64 2qgw h SER 450 N 0.65 0.56 -0.62 4.20 0.02 -1.28 -2.30 113.55 114.78 2qgw h SER 450 Ca 0.18 -0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.16 2qgw h SER 450 Cb -0.07 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.26 2qgw h SER 450 CO -0.04 0.43 0.29 0.40 -1.14 0.00 0.00 176.83 176.78 2qgw h ILE 451 N 0.64 0.88 -0.37 3.27 2.04 -0.93 -2.09 117.51 120.95 2qgw h ILE 451 Ca 0.17 -0.18 0.05 0.00 1.00 0.00 0.00 64.86 65.90 2qgw h ILE 451 Cb -0.03 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.30 2qgw h ILE 451 CO -0.03 0.10 0.11 0.40 0.00 0.00 0.00 178.15 178.72 2qgw h ILE 452 N 0.53 0.86 -0.38 -0.67 2.04 -0.94 0.64 117.51 119.59 2qgw h ILE 452 Ca 0.29 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 66.14 2qgw h ILE 452 Cb 0.27 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 2qgw h ILE 452 CO -0.23 0.05 -0.03 0.25 0.00 0.00 0.00 178.15 178.19 2qgw h LEU 453 N 0.25 -0.21 0.01 1.44 5.85 -0.85 -1.79 115.31 120.01 2qgw h LEU 453 Ca 0.17 0.10 -0.24 0.00 0.84 0.00 0.00 57.88 58.75 2qgw h LEU 453 Cb 0.17 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2qgw h LEU 453 CO -0.20 -0.07 -1.25 -0.07 -0.34 0.00 0.00 178.44 176.52 2qgw h LEU 454 N 0.07 0.03 0.11 2.25 3.38 -1.02 -3.40 115.31 116.72 2qgw h LEU 454 Ca 0.18 -0.04 -0.29 0.00 0.09 0.00 0.00 57.88 57.83 2qgw h LEU 454 Cb 0.27 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2qgw h LEU 454 CO -0.33 1.03 -1.48 -1.13 0.09 0.00 0.00 178.44 176.61 2qgw h ASN 455 N 0.01 0.35 -0.90 -0.43 -1.24 0.42 -3.36 115.58 110.42 2qgw h ASN 455 Ca -0.11 -0.84 0.08 0.00 0.71 0.00 0.00 56.30 56.14 2qgw h ASN 455 Cb 1.86 -0.11 -0.06 0.00 0.73 0.00 0.00 38.32 40.73 2qgw h ASN 455 CO 0.12 1.64 0.59 0.28 -1.29 0.00 0.00 177.43 178.77 2qgw h SER 456 N -0.31 0.88 -0.29 1.15 0.02 -1.52 -2.13 113.55 111.35 2qgw h SER 456 Ca -0.33 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2qgw h SER 456 Cb 1.76 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 64.13 2qgw h SER 456 CO 0.04 0.55 0.00 0.61 -1.14 0.00 0.00 176.83 176.89 2qgw n GLY 457 N -1.40 1.47 0.18 -3.77 0.00 -1.26 -4.67 105.19 95.73 2qgw n GLY 457 Ca 0.14 -0.57 0.01 0.00 0.00 0.00 0.00 46.02 45.61 2qgw n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2qgw h VAL 458 N 3.46 1.31 0.00 1.61 3.04 -1.53 -2.52 116.25 121.61 2qgw h VAL 458 Ca 0.00 -1.47 0.00 0.00 -1.01 0.00 0.00 66.70 64.22 2qgw h VAL 458 Cb 0.82 1.77 0.00 0.00 -2.01 0.00 0.00 31.29 31.87 2qgw h VAL 458 CO 0.00 0.42 -0.55 1.88 -1.01 0.00 0.00 177.57 178.31 2qgw h TYR 459 N 0.03 0.00 -0.11 3.17 0.05 -1.83 -3.28 116.97 114.99 2qgw h TYR 459 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2qgw h TYR 459 Cb 0.76 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.50 2qgw h TYR 459 CO 0.00 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.36 2qgw n THR 460 N -2.28 0.14 0.00 -2.88 -2.24 -0.95 -5.25 114.28 100.82 2qgw n THR 460 Ca 0.03 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2qgw n THR 460 Cb 0.46 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 2qgw n THR 460 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2qgw n PHE 461 N -0.04 0.00 0.00 4.78 3.72 -1.22 -5.14 117.46 119.56 2qgw n PHE 461 Ca 0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 2qgw n PHE 461 Cb 0.24 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 2qgw n PHE 461 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 2qgw n GLU 470 N 0.00 0.00 -0.11 -1.08 0.00 -1.26 -5.18 120.64 113.01 2qgw n GLU 470 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.07 2qgw n GLU 470 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.43 2qgw n GLU 470 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 2qgw h GLU 471 N 0.00 0.48 -0.38 3.44 9.09 -2.00 -1.89 114.58 123.32 2qgw h GLU 471 Ca 0.00 -0.04 -0.07 0.00 0.05 0.00 0.00 59.36 59.30 2qgw h GLU 471 Cb 0.00 -0.10 -0.02 0.00 -1.65 0.00 0.00 28.75 26.98 2qgw h GLU 471 CO 0.00 0.36 -0.05 0.87 0.05 0.00 0.00 179.01 180.24 2qgw h LYS 472 N 0.46 0.63 -0.07 1.06 1.57 -2.00 -2.92 116.57 115.30 2qgw h LYS 472 Ca 0.13 -0.17 -0.17 0.00 -1.87 0.00 0.00 60.65 58.57 2qgw h LYS 472 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2qgw h LYS 472 CO -0.02 0.69 -0.69 0.22 -0.57 0.00 0.00 179.45 179.08 2qgw h ASP 473 N 0.59 0.39 -0.44 0.86 3.58 -1.95 -2.02 116.42 117.42 2qgw h ASP 473 Ca 0.11 -0.25 -0.05 0.00 0.42 0.00 0.00 57.03 57.26 2qgw h ASP 473 Cb 0.45 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 2qgw h ASP 473 CO 0.02 0.96 0.06 -0.74 -2.88 0.00 0.00 179.24 176.67 2qgw h HIS 474 N 0.23 0.79 -0.50 0.28 2.76 -1.31 -1.89 115.15 115.51 2qgw h HIS 474 Ca -0.02 -0.11 -0.02 0.00 -2.20 0.00 0.00 60.37 58.01 2qgw h HIS 474 Cb 1.24 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.96 2qgw h HIS 474 CO 0.03 0.75 0.22 0.82 -1.30 0.00 0.00 177.93 178.46 2qgw h ILE 475 N 0.60 1.20 -0.01 6.26 2.04 -1.41 -0.97 117.51 125.22 2qgw h ILE 475 Ca 0.13 -0.59 -0.07 0.00 1.00 0.00 0.00 64.86 65.34 2qgw h ILE 475 Cb 0.39 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 2qgw h ILE 475 CO 0.01 0.23 -0.33 0.45 0.00 0.00 0.00 178.15 178.51 2qgw h HIS 476 N 0.66 0.02 -0.41 1.37 3.86 -1.36 0.15 115.15 119.44 2qgw h HIS 476 Ca 0.17 -0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.27 2qgw h HIS 476 Cb 0.15 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 2qgw h HIS 476 CO -0.00 0.35 -0.15 0.00 0.86 0.00 0.00 177.93 178.99 2qgw h ARG 477 N 0.02 0.83 -0.40 2.45 3.08 -0.82 -1.62 114.38 117.91 2qgw h ARG 477 Ca -0.00 -0.34 -0.12 0.00 0.07 0.00 0.00 59.98 59.59 2qgw h ARG 477 Cb 0.59 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 2qgw h ARG 477 CO 0.04 0.97 -0.21 0.28 -1.07 0.00 0.00 179.97 179.98 2qgw h VAL 478 N 0.64 1.28 -0.70 2.04 2.07 -0.72 -2.08 116.25 118.79 2qgw h VAL 478 Ca 0.10 -1.36 0.04 0.00 0.82 0.00 0.00 66.70 66.31 2qgw h VAL 478 Cb 0.69 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 2qgw h VAL 478 CO 0.05 0.45 0.42 -0.07 0.02 0.00 0.00 177.57 178.44 2qgw h LEU 479 N 0.66 0.66 -0.54 2.57 3.38 -0.71 -1.65 115.31 119.67 2qgw h LEU 479 Ca 0.09 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.10 2qgw h LEU 479 Cb 0.77 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 2qgw h LEU 479 CO 0.06 0.44 0.32 0.44 0.09 0.00 0.00 178.44 179.79 2qgw h ASP 480 N 0.79 0.52 -0.98 -0.43 3.32 -1.12 -0.69 116.42 117.83 2qgw h ASP 480 Ca 0.30 0.01 0.10 0.00 0.02 0.00 0.00 57.03 57.45 2qgw h ASP 480 Cb 0.10 -0.10 -0.08 0.00 0.22 0.00 0.00 39.33 39.47 2qgw h ASP 480 CO -0.14 0.36 0.63 0.11 -1.72 0.00 0.00 179.24 178.48 2qgw h LYS 481 N 0.64 0.99 -0.17 3.56 1.79 -0.86 -0.26 116.57 122.26 2qgw h LYS 481 Ca 0.22 -0.06 -0.17 0.00 -2.18 0.00 0.00 60.65 58.46 2qgw h LYS 481 Cb 0.03 -0.22 -0.00 0.00 -1.58 0.00 0.00 32.23 30.45 2qgw h LYS 481 CO -0.10 0.66 -0.61 0.82 -1.08 0.00 0.00 179.45 179.14 2qgw h ILE 482 N 1.02 1.32 -0.24 1.86 2.04 -0.74 -0.36 117.51 122.42 2qgw h ILE 482 Ca 0.46 -1.87 0.03 0.00 1.00 0.00 0.00 64.86 64.47 2qgw h ILE 482 Cb 0.38 1.84 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 2qgw h ILE 482 CO -0.22 0.58 0.08 0.74 0.00 0.00 0.00 178.15 179.33 2qgw h THR 483 N 0.44 0.93 -1.01 -0.27 2.02 -0.69 -0.73 112.91 113.60 2qgw h THR 483 Ca -0.00 -0.06 0.12 0.00 0.77 0.00 0.00 66.41 67.24 2qgw h THR 483 Cb 1.17 0.73 -0.09 0.00 -1.74 0.00 0.00 68.15 68.23 2qgw h THR 483 CO 0.12 0.03 0.63 0.44 0.37 0.00 0.00 175.52 177.11 2qgw h ASP 484 N 0.18 0.93 -0.32 4.18 3.32 -0.71 -1.82 116.42 122.19 2qgw h ASP 484 Ca 0.11 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 2qgw h ASP 484 Cb 0.08 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2qgw h ASP 484 CO -0.11 0.48 -0.08 0.74 -1.72 0.00 0.00 179.24 178.55 2qgw h THR 485 N 0.99 1.28 -0.20 0.35 2.02 -0.64 -0.79 112.91 115.91 2qgw h THR 485 Ca 0.50 -1.12 0.01 0.00 0.77 0.00 0.00 66.41 66.57 2qgw h THR 485 Cb 0.51 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 2qgw h THR 485 CO -0.27 0.36 0.11 -0.07 0.37 0.00 0.00 175.52 176.02 2qgw h LEU 486 N 0.39 0.18 -0.19 2.58 3.38 -0.76 -1.39 115.31 119.50 2qgw h LEU 486 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2qgw h LEU 486 Cb 0.57 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2qgw h LEU 486 CO 0.03 0.14 0.13 0.40 0.09 0.00 0.00 178.44 179.22 2qgw h ILE 487 N 0.24 1.05 -0.81 1.22 1.08 -1.34 -2.32 117.51 116.63 2qgw h ILE 487 Ca 0.08 -0.10 0.19 0.00 -0.39 0.00 0.00 64.86 64.64 2qgw h ILE 487 Cb 0.00 0.77 -0.12 0.00 -3.07 0.00 0.00 36.82 34.40 2qgw h ILE 487 CO -0.04 0.05 0.22 -0.74 -0.69 0.00 0.00 178.15 176.95 2qgw h HIS 488 N 0.26 0.35 -0.67 1.37 -0.00 -0.92 0.20 115.15 115.73 2qgw h HIS 488 Ca 0.07 0.05 -0.06 0.00 -0.00 0.00 0.00 60.37 60.42 2qgw h HIS 488 Cb -0.03 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.33 2qgw h HIS 488 CO -0.06 -0.12 0.17 -0.07 -0.00 0.00 0.00 177.93 177.85 2qgw h LEU 489 N 0.27 0.98 -0.23 0.26 3.38 -0.74 -0.30 115.31 118.94 2qgw h LEU 489 Ca 0.48 -0.20 -0.22 0.00 0.09 0.00 0.00 57.88 58.04 2qgw h LEU 489 Cb 0.88 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2qgw h LEU 489 CO -0.56 0.94 -0.86 0.24 0.09 0.00 0.00 178.44 178.29 2qgw h MET 490 N 1.00 0.49 -0.54 1.13 2.86 -0.81 -0.55 114.93 118.50 2qgw h MET 490 Ca 0.21 -0.46 -0.09 0.00 -2.06 0.00 0.00 59.70 57.31 2qgw h MET 490 Cb 0.34 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 2qgw h MET 490 CO -0.00 1.10 -0.01 0.00 1.06 0.00 0.00 176.91 179.06 2qgw h ALA 491 N 0.75 0.97 -0.17 6.32 0.00 -0.48 -1.93 119.26 124.72 2qgw h ALA 491 Ca -0.06 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 2qgw h ALA 491 Cb 1.48 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2qgw h ALA 491 CO 0.15 0.63 -0.23 -0.22 0.00 0.00 0.00 179.25 179.58 2qgw h LYS 492 N 0.86 0.30 0.00 0.00 3.64 -0.95 -2.79 116.57 117.62 2qgw h LYS 492 Ca 0.16 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2qgw h LYS 492 Cb 0.51 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2qgw h LYS 492 CO 0.03 0.53 0.00 0.00 -2.27 0.00 0.00 179.45 177.73 2qgw n ALA 493 N -2.48 2.42 -0.16 5.00 0.00 -0.23 -4.89 120.51 120.16 2qgw n ALA 493 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2qgw n ALA 493 Cb 0.36 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.37 2qgw n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qgw n GLY 494 N 0.87 0.66 3.77 0.00 0.00 -1.05 -5.06 105.19 104.38 2qgw n GLY 494 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2qgw n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qgw s LEU 495 N 0.00 4.38 1.07 0.99 1.02 -0.76 -5.01 118.68 120.37 2qgw s LEU 495 Ca 0.00 2.81 -0.12 0.00 0.02 0.00 0.00 54.13 56.84 2qgw s LEU 495 Cb 0.00 -3.65 0.23 0.00 0.02 0.00 0.00 46.19 42.79 2qgw s LEU 495 CO 0.00 -0.68 1.06 0.42 0.02 0.00 0.00 176.35 177.17 2qgw s THR 496 N -0.95 2.12 0.12 5.49 -4.23 -1.26 -4.62 115.64 112.31 2qgw s THR 496 Ca 0.52 0.04 -0.24 0.00 -1.18 0.00 0.00 61.69 60.83 2qgw s THR 496 Cb -0.42 -2.20 -0.06 0.00 1.34 0.00 0.00 72.50 71.15 2qgw s THR 496 CO 0.55 -0.05 1.67 -0.07 -0.54 0.00 0.00 174.62 176.18 2qgw h LEU 497 N -2.28 -0.47 -0.90 4.79 4.07 -1.99 0.21 115.31 118.73 2qgw h LEU 497 Ca -0.56 0.07 0.08 0.00 0.08 0.00 0.00 57.88 57.55 2qgw h LEU 497 Cb 1.32 0.20 -0.07 0.00 1.08 0.00 0.00 40.66 43.19 2qgw h LEU 497 CO 0.50 -0.22 0.56 -0.61 -1.08 0.00 0.00 178.44 177.59 2qgw h GLN 498 N -0.26 0.95 -0.09 1.13 4.15 -2.00 -1.11 115.11 117.87 2qgw h GLN 498 Ca 0.05 -0.06 -0.13 0.00 0.77 0.00 0.00 58.65 59.29 2qgw h GLN 498 Cb 0.34 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 2qgw h GLN 498 CO -0.16 0.63 -0.51 1.96 -1.93 0.00 0.00 178.83 178.82 2qgw h GLN 499 N 0.97 0.25 -0.03 1.69 4.20 -1.86 -1.99 115.11 118.35 2qgw h GLN 499 Ca 0.41 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.98 2qgw h GLN 499 Cb 0.27 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 2qgw h GLN 499 CO -0.21 0.70 0.01 1.96 -0.67 0.00 0.00 178.83 180.63 2qgw h GLN 500 N 0.20 0.04 -0.70 1.46 4.20 -0.04 -1.34 115.11 118.94 2qgw h GLN 500 Ca 0.01 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2qgw h GLN 500 Cb 0.96 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.70 2qgw h GLN 500 CO 0.08 0.17 0.30 0.45 -0.67 0.00 0.00 178.83 179.16 2qgw h HIS 501 N -0.10 1.04 -0.30 2.96 3.86 -1.20 -0.77 115.15 120.64 2qgw h HIS 501 Ca 0.01 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.13 2qgw h HIS 501 Cb 0.15 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 2qgw h HIS 501 CO -0.03 0.79 0.10 1.96 0.86 0.00 0.00 177.93 181.62 2qgw h GLN 502 N 0.99 0.46 -0.45 2.45 4.20 -1.35 -2.16 115.11 119.24 2qgw h GLN 502 Ca 0.24 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 2qgw h GLN 502 Cb 0.18 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 2qgw h GLN 502 CO -0.02 0.49 0.04 -0.09 -0.67 0.00 0.00 178.83 178.59 2qgw h ARG 503 N 0.33 0.77 -0.35 1.46 2.43 -1.13 -0.80 114.38 117.09 2qgw h ARG 503 Ca 0.10 -0.22 0.07 0.00 -0.81 0.00 0.00 59.98 59.12 2qgw h ARG 503 Cb 0.22 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.62 2qgw h ARG 503 CO -0.01 0.81 -0.09 1.25 -1.51 0.00 0.00 179.97 180.42 2qgw h LEU 504 N 0.62 -0.33 -0.08 3.80 5.85 -1.09 0.67 115.31 124.75 2qgw h LEU 504 Ca 0.13 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.99 2qgw h LEU 504 Cb 0.43 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 2qgw h LEU 504 CO 0.01 -0.12 -0.10 0.00 -0.34 0.00 0.00 178.44 177.90 2qgw h ALA 505 N 1.35 -0.04 -0.63 1.25 0.00 -1.24 -2.00 119.26 117.95 2qgw h ALA 505 Ca 0.17 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2qgw h ALA 505 Cb 0.26 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2qgw h ALA 505 CO -0.36 -0.56 0.35 1.96 0.00 0.00 0.00 179.25 180.64 2qgw h GLN 506 N -0.13 0.65 -0.30 0.00 4.20 -0.62 -1.06 115.11 117.85 2qgw h GLN 506 Ca 0.07 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 2qgw h GLN 506 Cb 0.23 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2qgw h GLN 506 CO -0.16 0.43 0.05 -0.07 -0.67 0.00 0.00 178.83 178.41 2qgw h LEU 507 N 0.67 0.48 -1.10 1.46 3.38 -0.76 -3.07 115.31 116.36 2qgw h LEU 507 Ca 0.27 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 2qgw h LEU 507 Cb 0.13 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2qgw h LEU 507 CO -0.16 0.62 -0.44 -0.07 0.09 0.00 0.00 178.44 178.48 2qgw h LEU 508 N 0.33 0.02 -1.80 1.67 3.38 -1.15 -2.82 115.31 114.94 2qgw h LEU 508 Ca 0.09 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2qgw h LEU 508 Cb 0.34 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2qgw h LEU 508 CO 0.01 0.46 -0.01 -0.07 0.09 0.00 0.00 178.44 178.91 2qgw h LEU 509 N 0.02 0.00 -0.89 1.67 3.38 -1.11 -2.05 115.31 116.33 2qgw h LEU 509 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2qgw h LEU 509 Cb 0.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2qgw h LEU 509 CO 0.06 0.01 -0.32 0.40 0.09 0.00 0.00 178.44 178.68 2qgw h ILE 510 N 0.00 1.28 0.00 1.22 2.04 -1.44 -2.80 117.51 117.81 2qgw h ILE 510 Ca -0.00 -1.38 -0.00 0.00 1.00 0.00 0.00 64.86 64.47 2qgw h ILE 510 Cb 0.40 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 2qgw h ILE 510 CO 0.00 0.43 -0.00 -0.07 0.00 0.00 0.00 178.15 178.51 2qgw h LEU 511 N 0.38 0.00 -0.40 1.44 3.38 -1.45 0.36 115.31 119.02 2qgw h LEU 511 Ca 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2qgw h LEU 511 Cb 0.75 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2qgw h LEU 511 CO 0.06 0.00 -0.12 -1.28 0.09 0.00 0.00 178.44 177.19 2qgw h SER 512 N 0.00 0.80 -0.07 -0.43 0.87 -1.59 -2.26 113.55 110.87 2qgw h SER 512 Ca -0.00 -0.37 -0.15 0.00 -1.23 0.00 0.00 61.79 60.03 2qgw h SER 512 Cb 0.02 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 2qgw h SER 512 CO 0.00 0.99 -0.49 0.45 -0.53 0.00 0.00 176.83 177.26 2qgw h HIS 513 N 0.60 0.77 -0.54 2.24 3.86 -1.07 -1.96 115.15 119.05 2qgw h HIS 513 Ca 0.10 -0.25 -0.07 0.00 -1.16 0.00 0.00 60.37 58.98 2qgw h HIS 513 Cb 0.66 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.95 2qgw h HIS 513 CO 0.05 0.99 0.04 0.82 0.86 0.00 0.00 177.93 180.69 2qgw h ILE 514 N 0.50 1.25 -0.35 2.45 2.04 -1.14 -0.76 117.51 121.49 2qgw h ILE 514 Ca 0.02 -1.01 -0.00 0.00 1.00 0.00 0.00 64.86 64.87 2qgw h ILE 514 Cb 1.03 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 2qgw h ILE 514 CO 0.10 0.36 0.21 -0.09 0.00 0.00 0.00 178.15 178.73 2qgw h ARG 515 N 0.83 0.48 -0.68 2.37 9.65 -1.23 -1.33 114.38 124.46 2qgw h ARG 515 Ca 0.16 -0.04 0.07 0.00 -1.10 0.00 0.00 59.98 59.07 2qgw h ARG 515 Cb 0.45 -0.10 -0.06 0.00 -1.39 0.00 0.00 29.97 28.87 2qgw h ARG 515 CO 0.02 0.37 0.37 1.25 2.80 0.00 0.00 179.97 184.78 2qgw h HIS 516 N 0.46 0.68 -0.40 2.20 2.76 -1.07 -0.93 115.15 118.84 2qgw h HIS 516 Ca 0.13 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.19 2qgw h HIS 516 Cb 0.01 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 2qgw h HIS 516 CO -0.04 0.31 -0.28 0.52 -1.30 0.00 0.00 177.93 177.15 2qgw h MET 517 N 0.68 0.90 0.01 5.26 2.86 -0.97 -1.54 114.93 122.12 2qgw h MET 517 Ca 0.31 -0.43 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2qgw h MET 517 Cb 0.23 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2qgw h MET 517 CO -0.20 1.08 -0.00 1.03 1.06 0.00 0.00 176.91 179.87 2qgw h SER 518 N 0.71 -0.01 -0.78 1.22 0.87 -1.03 0.28 113.55 114.82 2qgw h SER 518 Ca 0.08 -0.01 0.08 0.00 -1.23 0.00 0.00 61.79 60.72 2qgw h SER 518 Cb 0.85 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.75 2qgw h SER 518 CO 0.07 0.00 0.44 0.78 -0.53 0.00 0.00 176.83 177.59 2qgw h ASN 519 N -0.02 0.63 -0.48 6.23 2.35 -1.13 0.20 115.58 123.37 2qgw h ASN 519 Ca -0.00 0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 2qgw h ASN 519 Cb 0.01 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 2qgw h ASN 519 CO 0.00 0.37 -0.05 0.11 -1.65 0.00 0.00 177.43 176.21 2qgw h LYS 520 N 0.75 0.87 -0.14 0.81 6.56 -1.08 -2.77 116.57 121.57 2qgw h LYS 520 Ca 0.37 -0.30 -0.15 0.00 -1.06 0.00 0.00 60.65 59.51 2qgw h LYS 520 Cb 0.31 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 31.90 2qgw h LYS 520 CO -0.23 0.94 -0.55 0.78 -2.06 0.00 0.00 179.45 178.33 2qgw h GLY 521 N 0.72 0.46 0.96 3.86 0.00 -0.65 -1.95 103.07 106.47 2qgw h GLY 521 Ca 0.13 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 46.94 2qgw h GLY 521 CO 0.03 0.47 0.12 1.98 0.00 0.00 0.00 176.54 179.15 2qgw h MET 522 N 0.32 0.25 -0.97 4.80 -1.53 -0.58 0.20 114.93 117.41 2qgw h MET 522 Ca 0.01 -0.01 0.09 0.00 -3.44 0.00 0.00 59.70 56.34 2qgw h MET 522 Cb 1.06 -0.06 -0.07 0.00 -0.55 0.00 0.00 31.60 31.98 2qgw h MET 522 CO 0.09 0.16 0.62 1.05 0.14 0.00 0.00 176.91 178.98 2qgw h GLU 523 N 0.25 1.01 -0.21 0.39 4.11 -1.39 -0.74 114.58 118.00 2qgw h GLU 523 Ca 0.08 -0.06 -0.05 0.00 0.07 0.00 0.00 59.36 59.40 2qgw h GLU 523 Cb -0.01 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 2qgw h GLU 523 CO -0.03 0.67 -0.07 1.25 0.07 0.00 0.00 179.01 180.90 2qgw h HIS 524 N 1.04 0.48 -0.97 2.06 2.76 -1.03 -1.66 115.15 117.83 2qgw h HIS 524 Ca 0.45 -0.11 0.07 0.00 -2.20 0.00 0.00 60.37 58.58 2qgw h HIS 524 Cb 0.34 -0.12 -0.07 0.00 1.55 0.00 0.00 27.41 29.12 2qgw h HIS 524 CO -0.00 0.68 0.62 1.25 -1.30 0.00 0.00 177.93 179.17 2qgw h LEU 525 N 0.14 0.98 0.01 0.26 5.85 -0.52 -0.10 115.31 121.93 2qgw h LEU 525 Ca 0.05 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2qgw h LEU 525 Cb 0.53 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2qgw h LEU 525 CO 0.02 0.62 -0.01 0.22 -0.34 0.00 0.00 178.44 178.96 2qgw h TYR 526 N 1.11 -0.02 -0.49 1.25 3.20 -0.97 -1.68 116.97 119.38 2qgw h TYR 526 Ca 0.42 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.35 2qgw h TYR 526 Cb 0.19 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 2qgw h TYR 526 CO -0.01 0.08 0.19 1.03 -1.64 0.00 0.00 178.16 177.80 2qgw h SER 527 N -0.10 0.21 0.15 -2.11 0.87 -0.82 0.32 113.55 112.07 2qgw h SER 527 Ca -0.00 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 2qgw h SER 527 Cb 0.10 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2qgw h SER 527 CO 0.00 0.15 -0.12 0.24 -0.53 0.00 0.00 176.83 176.57 2qgw h MET 528 N 0.37 0.00 -0.01 2.24 2.86 -0.91 -0.10 114.93 119.39 2qgw h MET 528 Ca 0.23 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.84 2qgw h MET 528 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2qgw h MET 528 CO -0.22 0.12 -0.09 -0.22 1.06 0.00 0.00 176.91 177.56 2qgw h LYS 529 N 0.00 0.07 0.25 1.72 3.64 -0.29 -1.83 116.57 120.13 2qgw h LYS 529 Ca -0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2qgw h LYS 529 Cb 0.23 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2qgw h LYS 529 CO 0.02 0.80 -0.25 0.00 -2.27 0.00 0.00 179.45 177.74 2qgw n LYS 531 N -5.37 0.07 -2.28 0.00 5.02 -0.07 -4.86 118.16 110.67 2qgw n LYS 531 Ca -0.09 0.44 -0.14 0.00 -2.02 0.00 0.00 58.31 56.50 2qgw n LYS 531 Cb 0.28 -1.67 -0.01 0.00 -0.02 0.00 0.00 35.03 33.61 2qgw n LYS 531 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2qgw n ASN 532 N -1.80 -4.29 0.16 4.39 4.05 -0.66 -4.89 115.26 112.22 2qgw n ASN 532 Ca 0.01 -0.02 0.12 0.00 0.45 0.00 0.00 54.58 55.15 2qgw n ASN 532 Cb 0.11 -3.45 0.57 0.00 1.23 0.00 0.00 39.78 38.24 2qgw n ASN 532 CO 0.00 0.00 0.00 -0.37 -3.05 0.00 0.00 177.26 173.84 2qgw h VAL 533 N -0.02 0.00 -1.68 3.44 -1.51 -1.60 -3.44 116.25 111.44 2qgw h VAL 533 Ca -0.33 -0.16 0.04 0.00 -1.23 0.00 0.00 66.70 65.02 2qgw h VAL 533 Cb 1.24 0.83 -0.24 0.00 -2.13 0.00 0.00 31.29 30.99 2qgw h VAL 533 CO 0.39 0.00 0.40 -0.69 -1.23 0.00 0.00 177.57 176.44 2qgw s VAL 534 N -3.46 0.00 0.11 7.19 1.01 -1.26 -4.56 120.40 119.44 2qgw s VAL 534 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 2qgw s VAL 534 Cb 0.08 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.40 2qgw s VAL 534 CO 0.33 0.00 1.10 -2.16 0.00 0.00 0.00 175.10 174.37 2qgw s PRO 535 N -0.19 4.55 -0.10 2.72 0.04 -1.26 -4.77 135.00 136.00 2qgw s PRO 535 Ca 0.00 1.67 -0.02 0.00 0.04 0.00 0.00 61.00 62.69 2qgw s PRO 535 Cb -0.03 -3.33 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 2qgw s PRO 535 CO -0.02 -0.03 0.01 -0.51 0.04 0.00 0.00 177.00 176.49 2qgw s LEU 536 N 0.27 3.59 0.91 -3.56 1.43 -1.26 -4.98 118.68 115.08 2qgw s LEU 536 Ca 0.52 0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 53.63 2qgw s LEU 536 Cb -0.28 -1.83 0.07 0.00 0.03 0.00 0.00 46.19 44.18 2qgw s LEU 536 CO 0.32 0.35 0.69 -1.54 0.23 0.00 0.00 176.35 176.40 2qgw n SER 537 N 2.33 -1.08 -0.31 2.29 3.41 -1.26 -4.73 113.62 114.27 2qgw n SER 537 Ca -0.18 0.39 -0.04 0.00 -0.26 0.00 0.00 58.87 58.78 2qgw n SER 537 Cb 0.53 -1.31 0.08 0.00 -0.26 0.00 0.00 64.21 63.26 2qgw n SER 537 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2qgw h ASP 538 N -1.53 0.97 -0.42 4.04 3.32 -1.99 -1.75 116.42 119.06 2qgw h ASP 538 Ca -0.44 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2qgw h ASP 538 Cb 1.28 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 2qgw h ASP 538 CO 0.38 0.70 0.27 0.25 -1.72 0.00 0.00 179.24 179.12 2qgw h LEU 539 N 1.14 0.49 -0.36 1.55 5.85 -1.99 -1.69 115.31 120.31 2qgw h LEU 539 Ca 0.31 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.93 2qgw h LEU 539 Cb -0.13 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 2qgw h LEU 539 CO -0.07 0.37 -0.09 0.25 -0.34 0.00 0.00 178.44 178.56 2qgw h LEU 540 N 0.56 0.69 -1.08 2.25 5.85 -1.84 -1.22 115.31 120.52 2qgw h LEU 540 Ca 0.15 -0.37 0.11 0.00 0.84 0.00 0.00 57.88 58.61 2qgw h LEU 540 Cb -0.05 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 40.72 2qgw h LEU 540 CO -0.03 0.90 0.62 -0.07 -0.34 0.00 0.00 178.44 179.52 2qgw h LEU 541 N 0.48 0.90 -0.46 2.25 3.38 -1.25 0.71 115.31 121.32 2qgw h LEU 541 Ca 0.09 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.94 2qgw h LEU 541 Cb 0.60 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2qgw h LEU 541 CO 0.04 0.51 -0.35 -0.08 0.09 0.00 0.00 178.44 178.65 2qgw h GLU 542 N 0.98 0.90 -0.14 1.13 4.81 -0.81 0.32 114.58 121.77 2qgw h GLU 542 Ca 0.46 -0.45 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 2qgw h GLU 542 Cb 0.43 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2qgw h GLU 542 CO -0.22 1.10 -0.51 0.52 -0.73 0.00 0.00 179.01 179.16 2qgw h MET 543 N 0.75 0.39 -0.23 1.92 2.86 -0.83 -2.71 114.93 117.07 2qgw h MET 543 Ca 0.07 -0.23 -0.09 0.00 -2.06 0.00 0.00 59.70 57.39 2qgw h MET 543 Cb 0.93 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.60 2qgw h MET 543 CO 0.09 0.81 -0.19 1.25 1.06 0.00 0.00 176.91 179.93 2qgw h LEU 544 N 0.31 0.57 -1.98 1.22 5.85 -0.72 -3.21 115.31 117.35 2qgw h LEU 544 Ca 0.01 -0.45 0.06 0.00 0.84 0.00 0.00 57.88 58.34 2qgw h LEU 544 Cb 1.01 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2qgw h LEU 544 CO 0.09 0.91 0.16 0.44 -0.34 0.00 0.00 178.44 179.70 2qgw h ASP 545 N 0.25 0.02 0.31 1.25 3.45 -0.27 -2.75 116.42 118.68 2qgw h ASP 545 Ca 0.04 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.46 2qgw h ASP 545 Cb 0.73 -0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.49 2qgw h ASP 545 CO 0.05 0.01 -0.21 0.00 -1.57 0.00 0.00 179.24 177.52 2qgw h ALA 546 N 1.89 1.46 -0.00 3.45 0.00 -1.48 -2.35 119.26 122.22 2qgw h ALA 546 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2qgw h ALA 546 Cb 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2qgw h ALA 546 CO -0.00 0.27 -0.06 0.72 0.00 0.00 0.00 179.25 180.17 2qgw n HIS 547 N -4.01 0.00 -1.63 0.00 8.25 -1.04 -5.04 115.22 111.75 2qgw n HIS 547 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2qgw n HIS 547 Cb 0.29 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.25 2qgw n HIS 547 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52