#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qr9 h ALA 307 N 0.00 0.95 0.00 1.96 0.00 -1.98 -3.07 119.26 117.12 2qr9 h ALA 307 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2qr9 h ALA 307 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2qr9 h ALA 307 CO 0.00 0.62 0.00 -0.07 0.00 0.00 0.00 179.25 179.80 2qr9 h LEU 308 N 0.41 0.00 -0.15 0.00 3.38 -1.98 -2.95 115.31 114.02 2qr9 h LEU 308 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2qr9 h LEU 308 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2qr9 h LEU 308 CO 0.07 0.00 -0.81 -1.54 0.09 0.00 0.00 178.44 176.25 2qr9 n SER 309 N -2.35 1.05 -4.75 -0.43 3.41 -1.16 -4.94 113.62 104.45 2qr9 n SER 309 Ca 0.04 -0.93 -0.41 0.00 -0.26 0.00 0.00 58.87 57.31 2qr9 n SER 309 Cb 0.34 0.76 0.01 0.00 -0.26 0.00 0.00 64.21 65.05 2qr9 n SER 309 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qr9 n LEU 310 N -1.27 4.60 -4.85 1.04 4.77 -1.12 -5.04 117.00 115.14 2qr9 n LEU 310 Ca 0.05 1.18 -0.30 0.00 -0.03 0.00 0.00 56.01 56.91 2qr9 n LEU 310 Cb 0.35 -1.58 0.18 0.00 -2.33 0.00 0.00 43.42 40.04 2qr9 n LEU 310 CO 0.39 -0.13 0.80 0.42 -1.33 0.00 0.00 177.39 177.54 2qr9 s THR 311 N -1.15 1.92 0.08 -5.08 -4.23 -1.26 -4.88 115.64 101.04 2qr9 s THR 311 Ca 0.57 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.87 2qr9 s THR 311 Cb -0.49 -2.87 -0.11 0.00 1.34 0.00 0.00 72.50 70.37 2qr9 s THR 311 CO 0.61 0.00 1.61 0.00 -0.54 0.00 0.00 174.62 176.30 2qr9 h ALA 312 N -1.78 0.19 -0.83 3.99 0.00 -1.95 -1.79 119.26 117.09 2qr9 h ALA 312 Ca -0.45 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2qr9 h ALA 312 Cb 1.26 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2qr9 h ALA 312 CO 0.41 -0.21 0.53 -0.44 0.00 0.00 0.00 179.25 179.54 2qr9 h ASP 313 N 0.07 0.96 0.49 0.00 3.32 -1.96 -1.08 116.42 118.22 2qr9 h ASP 313 Ca 0.05 -0.04 -0.13 0.00 0.02 0.00 0.00 57.03 56.93 2qr9 h ASP 313 Cb 0.19 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 2qr9 h ASP 313 CO -0.00 0.72 -0.57 1.56 -1.72 0.00 0.00 179.24 179.23 2qr9 h GLN 314 N 1.13 0.08 -0.07 3.56 4.20 -1.92 -1.23 115.11 120.86 2qr9 h GLN 314 Ca 0.30 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.95 2qr9 h GLN 314 Cb -0.10 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 2qr9 h GLN 314 CO -0.06 0.63 0.01 1.98 -0.67 0.00 0.00 178.83 180.72 2qr9 h MET 315 N 0.06 0.12 -0.55 1.46 4.05 -0.61 -1.44 114.93 118.02 2qr9 h MET 315 Ca -0.00 -0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.35 2qr9 h MET 315 Cb 1.02 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.78 2qr9 h MET 315 CO 0.08 0.33 0.20 0.28 0.23 0.00 0.00 176.91 178.03 2qr9 h VAL 316 N -0.11 1.23 0.05 -5.77 2.07 -1.10 -1.62 116.25 111.00 2qr9 h VAL 316 Ca 0.02 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 66.83 2qr9 h VAL 316 Cb 0.27 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 2qr9 h VAL 316 CO 0.00 0.28 -0.10 0.28 0.02 0.00 0.00 177.57 178.04 2qr9 h SER 317 N 0.75 -0.28 -0.45 0.57 0.02 -1.25 -0.36 113.55 112.55 2qr9 h SER 317 Ca 0.18 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.23 2qr9 h SER 317 Cb 0.23 0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.82 2qr9 h SER 317 CO -0.01 -0.15 0.13 0.00 -1.14 0.00 0.00 176.83 175.66 2qr9 h ALA 318 N 0.73 0.52 -0.52 3.77 0.00 -1.04 -1.42 119.26 121.28 2qr9 h ALA 318 Ca 0.02 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2qr9 h ALA 318 Cb 0.22 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2qr9 h ALA 318 CO -0.07 -0.26 -0.00 -0.07 0.00 0.00 0.00 179.25 178.85 2qr9 h LEU 319 N 0.29 0.91 -0.97 0.00 3.38 -1.07 -1.82 115.31 116.02 2qr9 h LEU 319 Ca 0.21 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2qr9 h LEU 319 Cb 0.23 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 2qr9 h LEU 319 CO -0.24 0.99 0.39 -0.07 0.09 0.00 0.00 178.44 179.60 2qr9 h LEU 320 N 0.80 1.02 -1.16 1.67 3.38 -0.83 -2.73 115.31 117.46 2qr9 h LEU 320 Ca 0.15 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 2qr9 h LEU 320 Cb 0.53 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2qr9 h LEU 320 CO 0.03 0.85 -0.41 0.44 0.09 0.00 0.00 178.44 179.43 2qr9 h ASP 321 N 1.12 0.02 0.09 -0.43 5.19 -0.97 -2.94 116.42 118.48 2qr9 h ASP 321 Ca 0.27 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.68 2qr9 h ASP 321 Cb 0.09 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.60 2qr9 h ASP 321 CO -0.04 0.43 -0.01 0.00 -3.12 0.00 0.00 179.24 176.50 2qr9 n ALA 322 N -2.46 2.66 -1.78 3.45 0.00 -0.71 -4.89 120.51 116.78 2qr9 n ALA 322 Ca -0.02 -0.25 -0.42 0.00 0.00 0.00 0.00 53.44 52.76 2qr9 n ALA 322 Cb 0.45 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 2qr9 n ALA 322 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2qr9 s GLU 323 N -2.10 4.14 0.72 0.00 0.41 -1.11 -4.63 118.70 116.13 2qr9 s GLU 323 Ca 0.42 2.55 -0.11 0.00 -0.41 0.00 0.00 54.97 57.42 2qr9 s GLU 323 Cb 0.21 -3.07 0.02 0.00 -1.78 0.00 0.00 34.13 29.52 2qr9 s GLU 323 CO 0.38 -0.67 1.07 -1.25 -0.49 0.00 0.00 175.26 174.31 2qr9 s PRO 324 N 0.40 2.72 0.77 0.39 0.04 -1.26 -5.04 135.00 133.02 2qr9 s PRO 324 Ca 0.69 0.82 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 2qr9 s PRO 324 Cb -0.48 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.14 2qr9 s PRO 324 CO 0.39 -1.22 1.08 -1.25 0.04 0.00 0.00 177.00 176.04 2qr9 s PRO 325 N -5.10 2.30 -0.14 0.56 0.04 -1.26 -5.02 135.00 126.37 2qr9 s PRO 325 Ca 0.59 0.82 -0.24 0.00 0.04 0.00 0.00 61.00 62.21 2qr9 s PRO 325 Cb -0.14 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 2qr9 s PRO 325 CO 0.55 -1.52 0.76 0.42 0.04 0.00 0.00 177.00 177.25 2qr9 s ILE 326 N -3.07 4.95 0.15 0.56 1.01 -1.26 -5.05 121.20 118.50 2qr9 s ILE 326 Ca 0.60 1.51 0.02 0.00 0.00 0.00 0.00 60.65 62.78 2qr9 s ILE 326 Cb -0.15 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 2qr9 s ILE 326 CO 0.55 0.11 0.29 -0.76 0.00 0.00 0.00 174.94 175.13 2qr9 s LEU 327 N 1.68 4.33 0.20 2.97 1.43 -1.26 -5.02 118.68 123.02 2qr9 s LEU 327 Ca 0.37 0.20 -0.16 0.00 -1.03 0.00 0.00 54.13 53.51 2qr9 s LEU 327 Cb -0.17 -2.94 -0.08 0.00 0.03 0.00 0.00 46.19 43.03 2qr9 s LEU 327 CO 0.14 0.05 0.63 -0.31 0.23 0.00 0.00 176.35 177.10 2qr9 s TYR 328 N -1.73 3.59 0.65 0.29 1.51 -1.26 -4.45 117.35 115.94 2qr9 s TYR 328 Ca 0.35 1.19 -0.11 0.00 -1.01 0.00 0.00 57.07 57.49 2qr9 s TYR 328 Cb -0.11 -2.47 -0.02 0.00 -0.11 0.00 0.00 41.96 39.25 2qr9 s TYR 328 CO 0.28 0.35 1.05 -1.54 -1.11 0.00 0.00 175.55 174.58 2qr9 s SER 329 N -1.79 5.95 -0.06 2.29 1.04 -1.26 -4.94 113.70 114.93 2qr9 s SER 329 Ca 0.42 1.30 0.03 0.00 0.48 0.00 0.00 55.95 58.17 2qr9 s SER 329 Cb -0.15 -2.26 0.18 0.00 0.10 0.00 0.00 66.02 63.89 2qr9 s SER 329 CO 0.20 -1.03 0.82 -0.62 0.98 0.00 0.00 173.24 173.58 2qr9 n GLU 330 N -2.82 1.83 -1.66 4.02 -0.58 -1.26 -4.96 120.64 115.21 2qr9 n GLU 330 Ca 0.06 -0.71 -0.57 0.00 -0.42 0.00 0.00 57.16 55.53 2qr9 n GLU 330 Cb 0.55 -1.64 -0.07 0.00 -0.57 0.00 0.00 31.44 29.71 2qr9 n GLU 330 CO 0.00 0.00 0.00 0.98 -0.48 0.00 0.00 177.13 177.63 2qr9 n TYR 331 N 0.14 1.72 -3.67 -0.32 -0.00 -1.26 -4.94 117.16 108.82 2qr9 n TYR 331 Ca 0.07 0.68 -0.39 0.00 -0.00 0.00 0.00 57.90 58.26 2qr9 n TYR 331 Cb 0.49 -2.36 -0.10 0.00 -0.00 0.00 0.00 39.34 37.37 2qr9 n TYR 331 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 2qr9 s ASP 332 N 2.16 5.48 0.00 2.98 -1.08 -1.26 -4.98 116.67 119.97 2qr9 s ASP 332 Ca 0.94 -1.68 0.02 0.00 -0.52 0.00 0.00 52.55 51.31 2qr9 s ASP 332 Cb -1.10 -1.93 0.09 0.00 -1.46 0.00 0.00 42.92 38.53 2qr9 s ASP 332 CO 0.60 -0.54 1.06 -0.81 0.52 0.00 0.00 175.17 176.01 2qr9 n PRO 333 N 4.81 1.04 0.19 4.34 -0.04 -1.26 -3.54 135.00 140.54 2qr9 n PRO 333 Ca -0.08 -0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.45 2qr9 n PRO 333 Cb 0.42 -1.03 0.22 0.00 -0.04 0.00 0.00 33.50 33.06 2qr9 n PRO 333 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2qr9 h THR 334 N 0.09 0.00 -3.89 0.52 1.35 -2.02 -3.46 112.91 105.50 2qr9 h THR 334 Ca 0.00 -0.89 -0.46 0.00 -0.55 0.00 0.00 66.41 64.52 2qr9 h THR 334 Cb 0.02 1.88 -0.21 0.00 -1.73 0.00 0.00 68.15 68.11 2qr9 h THR 334 CO 0.00 0.00 -0.79 -0.13 -0.25 0.00 0.00 175.52 174.35 2qr9 s ARG 335 N -3.19 0.94 0.78 4.72 3.00 -1.23 -5.14 118.95 118.82 2qr9 s ARG 335 Ca 0.08 -1.06 -0.11 0.00 0.00 0.00 0.00 55.73 54.64 2qr9 s ARG 335 Cb 0.07 -1.00 0.06 0.00 0.00 0.00 0.00 34.95 34.07 2qr9 s ARG 335 CO 0.66 0.22 1.09 -1.25 0.00 0.00 0.00 175.30 176.02 2qr9 s PRO 336 N -1.92 2.21 0.42 3.54 0.05 -1.26 -4.98 135.00 133.05 2qr9 s PRO 336 Ca 0.02 1.06 -0.23 0.00 0.05 0.00 0.00 61.00 61.90 2qr9 s PRO 336 Cb -0.09 -1.90 -0.09 0.00 0.05 0.00 0.00 34.50 32.47 2qr9 s PRO 336 CO 0.03 -1.65 1.05 -0.06 0.05 0.00 0.00 177.00 176.43 2qr9 s PHE 337 N -2.94 3.17 0.43 0.56 0.40 -1.26 -5.02 117.98 113.32 2qr9 s PHE 337 Ca 0.61 1.62 0.04 0.00 -0.60 0.00 0.00 56.93 58.60 2qr9 s PHE 337 Cb -0.17 -3.12 -0.05 0.00 0.51 0.00 0.00 43.02 40.19 2qr9 s PHE 337 CO 0.56 -0.73 0.02 -1.54 0.70 0.00 0.00 175.22 174.24 2qr9 s SER 338 N -1.66 3.67 0.17 1.36 1.04 -1.26 -4.99 113.70 112.02 2qr9 s SER 338 Ca 0.61 -1.50 -0.17 0.00 0.48 0.00 0.00 55.95 55.37 2qr9 s SER 338 Cb -0.21 0.06 0.11 0.00 0.10 0.00 0.00 66.02 66.08 2qr9 s SER 338 CO 0.26 -0.66 1.66 -0.08 0.98 0.00 0.00 173.24 175.40 2qr9 h GLU 339 N 1.67 -0.00 -0.56 4.02 4.81 -1.99 -0.77 114.58 121.77 2qr9 h GLU 339 Ca -0.43 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.71 2qr9 h GLU 339 Cb 1.27 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 2qr9 h GLU 339 CO 0.75 -0.00 -0.02 0.00 -0.73 0.00 0.00 179.01 179.01 2qr9 h ALA 340 N 1.43 0.91 -0.03 2.92 0.00 -1.90 -1.97 119.26 120.62 2qr9 h ALA 340 Ca 0.21 -0.31 -0.21 0.00 0.00 0.00 0.00 54.91 54.61 2qr9 h ALA 340 Cb 0.32 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2qr9 h ALA 340 CO -0.45 0.64 -0.85 0.66 0.00 0.00 0.00 179.25 179.26 2qr9 h SER 341 N 0.89 0.48 -0.06 0.00 4.64 -1.84 0.41 113.55 118.07 2qr9 h SER 341 Ca 0.16 -0.35 -0.03 0.00 -0.47 0.00 0.00 61.79 61.10 2qr9 h SER 341 Cb 0.55 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2qr9 h SER 341 CO 0.03 1.13 -0.07 -0.03 -0.87 0.00 0.00 176.83 177.02 2qr9 h MET 342 N 0.23 0.15 -0.56 4.77 -1.53 -1.04 -1.80 114.93 115.15 2qr9 h MET 342 Ca -0.06 -0.08 0.06 0.00 -3.44 0.00 0.00 59.70 56.19 2qr9 h MET 342 Cb 1.46 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 32.48 2qr9 h MET 342 CO 0.14 0.61 0.37 0.52 0.14 0.00 0.00 176.91 178.69 2qr9 h MET 343 N -0.31 0.49 -0.28 0.39 2.07 -1.34 -1.62 114.93 114.34 2qr9 h MET 343 Ca 0.01 -0.03 -0.02 0.00 -2.07 0.00 0.00 59.70 57.59 2qr9 h MET 343 Cb 0.59 -0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 30.19 2qr9 h MET 343 CO 0.02 0.32 0.10 0.78 1.07 0.00 0.00 176.91 179.20 2qr9 h GLY 344 N 0.50 0.46 0.59 8.32 0.00 -0.65 -1.04 103.07 111.24 2qr9 h GLY 344 Ca 0.24 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.32 2qr9 h GLY 344 CO -0.07 0.24 -0.31 1.41 0.00 0.00 0.00 176.54 177.81 2qr9 h LEU 345 N 0.30 -0.87 -0.89 3.11 3.38 -0.84 -1.05 115.31 118.45 2qr9 h LEU 345 Ca 0.09 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.18 2qr9 h LEU 345 Cb 0.20 0.31 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 2qr9 h LEU 345 CO -0.01 -0.43 0.58 -0.07 0.09 0.00 0.00 178.44 178.60 2qr9 h LEU 346 N -0.62 0.95 -0.63 1.67 3.38 -1.28 -1.40 115.31 117.38 2qr9 h LEU 346 Ca -0.00 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 2qr9 h LEU 346 Cb 0.59 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2qr9 h LEU 346 CO -0.10 0.65 -0.47 0.71 0.09 0.00 0.00 178.44 179.32 2qr9 h THR 347 N 1.11 1.31 -0.26 0.22 1.35 -1.12 0.01 112.91 115.54 2qr9 h THR 347 Ca 0.36 -1.67 -0.04 0.00 -0.55 0.00 0.00 66.41 64.50 2qr9 h THR 347 Cb 0.01 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 2qr9 h THR 347 CO -0.12 0.52 -0.00 -1.13 -0.25 0.00 0.00 175.52 174.54 2qr9 h ASN 348 N 0.42 0.45 0.25 5.36 -0.73 -0.99 -0.65 115.58 119.68 2qr9 h ASN 348 Ca 0.02 -0.31 0.00 0.00 1.87 0.00 0.00 56.30 57.89 2qr9 h ASN 348 Cb 0.98 -0.12 -0.02 0.00 0.27 0.00 0.00 38.32 39.42 2qr9 h ASN 348 CO 0.09 0.65 -0.29 0.25 -0.37 0.00 0.00 177.43 177.76 2qr9 h LEU 349 N 0.24 -0.78 -0.87 0.34 5.85 -1.22 -2.17 115.31 116.70 2qr9 h LEU 349 Ca 0.07 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.95 2qr9 h LEU 349 Cb 0.42 0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.66 2qr9 h LEU 349 CO 0.01 -0.40 0.52 0.00 -0.34 0.00 0.00 178.44 178.23 2qr9 h ALA 350 N 0.03 1.22 -0.45 1.25 0.00 -0.96 0.63 119.26 120.98 2qr9 h ALA 350 Ca -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2qr9 h ALA 350 Cb 0.55 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2qr9 h ALA 350 CO -0.08 0.21 0.23 0.22 0.00 0.00 0.00 179.25 179.83 2qr9 h ASP 351 N 0.92 0.58 -0.57 0.00 3.58 -0.98 0.11 116.42 120.05 2qr9 h ASP 351 Ca 0.40 -0.11 -0.08 0.00 0.42 0.00 0.00 57.03 57.66 2qr9 h ASP 351 Cb 0.27 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 2qr9 h ASP 351 CO -0.21 0.53 0.07 0.03 -2.88 0.00 0.00 179.24 176.78 2qr9 h ARG 352 N 0.59 1.00 -0.28 0.28 3.08 -0.82 -2.94 114.38 115.28 2qr9 h ARG 352 Ca 0.16 -0.27 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 2qr9 h ARG 352 Cb 0.09 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 2qr9 h ARG 352 CO -0.02 0.94 -0.10 0.93 -1.07 0.00 0.00 179.97 180.64 2qr9 h GLU 353 N 0.93 0.47 -0.41 0.04 5.08 -0.43 -2.87 114.58 117.39 2qr9 h GLU 353 Ca 0.18 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2qr9 h GLU 353 Cb 0.44 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 2qr9 h GLU 353 CO 0.02 0.58 0.25 -0.07 -1.00 0.00 0.00 179.01 178.78 2qr9 h LEU 354 N 0.44 0.48 -0.34 1.33 3.38 -0.61 -1.74 115.31 118.25 2qr9 h LEU 354 Ca 0.09 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2qr9 h LEU 354 Cb 0.45 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2qr9 h LEU 354 CO 0.02 0.38 -0.05 0.58 0.09 0.00 0.00 178.44 179.47 2qr9 h VAL 355 N 0.56 1.27 0.00 1.22 2.07 -1.52 -1.91 116.25 117.94 2qr9 h VAL 355 Ca 0.15 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 2qr9 h VAL 355 Cb -0.02 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2qr9 h VAL 355 CO -0.03 0.35 -0.11 0.45 0.02 0.00 0.00 177.57 178.25 2qr9 h HIS 356 N 0.42 0.00 -0.23 1.57 3.86 -1.57 -2.89 115.15 116.32 2qr9 h HIS 356 Ca 0.09 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.10 2qr9 h HIS 356 Cb 0.53 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.00 2qr9 h HIS 356 CO 0.04 0.11 -0.63 1.98 0.86 0.00 0.00 177.93 180.29 2qr9 h MET 357 N 0.00 0.80 -0.52 2.45 -1.53 -0.83 0.99 114.93 116.29 2qr9 h MET 357 Ca -0.00 -0.56 -0.01 0.00 -3.44 0.00 0.00 59.70 55.69 2qr9 h MET 357 Cb 0.20 0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 31.31 2qr9 h MET 357 CO 0.01 1.18 0.29 0.82 0.14 0.00 0.00 176.91 179.36 2qr9 h ILE 358 N 0.59 1.17 -0.03 1.77 2.04 -1.19 0.27 117.51 122.14 2qr9 h ILE 358 Ca -0.01 -0.43 -0.09 0.00 1.00 0.00 0.00 64.86 65.33 2qr9 h ILE 358 Cb 1.24 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 2qr9 h ILE 358 CO 0.13 0.18 -0.39 0.78 0.00 0.00 0.00 178.15 178.86 2qr9 h ASN 359 N 0.69 0.06 -0.22 1.72 2.35 -1.37 -2.66 115.58 116.16 2qr9 h ASN 359 Ca 0.18 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.85 2qr9 h ASN 359 Cb 0.04 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 2qr9 h ASN 359 CO -0.03 0.45 -0.11 -0.25 -1.65 0.00 0.00 177.43 175.84 2qr9 h TRP 360 N 0.05 0.53 -1.00 1.19 7.01 -0.11 -3.22 115.95 120.41 2qr9 h TRP 360 Ca 0.00 -0.13 0.10 0.00 2.11 0.00 0.00 58.89 60.97 2qr9 h TRP 360 Cb 0.71 -0.12 -0.08 0.00 -2.10 0.00 0.00 29.16 27.58 2qr9 h TRP 360 CO 0.00 0.74 0.63 0.00 -2.79 0.00 0.00 178.44 177.03 2qr9 h ALA 361 N 0.71 1.46 0.00 2.65 0.00 -0.35 -0.95 119.26 122.77 2qr9 h ALA 361 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2qr9 h ALA 361 Cb 0.61 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2qr9 h ALA 361 CO 0.03 0.30 -0.05 0.87 0.00 0.00 0.00 179.25 180.41 2qr9 h LYS 362 N 1.06 0.00 -0.01 0.00 1.57 -1.48 -1.33 116.57 116.37 2qr9 h LYS 362 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 2qr9 h LYS 362 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2qr9 h LYS 362 CO -0.23 0.05 -0.42 0.54 -0.57 0.00 0.00 179.45 178.82 2qr9 n ARG 363 N -3.51 0.86 -2.39 3.15 1.74 -0.40 -4.49 116.66 111.63 2qr9 n ARG 363 Ca -0.02 -0.62 -0.43 0.00 -0.77 0.00 0.00 57.85 56.01 2qr9 n ARG 363 Cb 0.16 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.09 2qr9 n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qr9 s VAL 364 N -2.57 4.21 0.20 1.55 1.01 -0.50 -4.84 120.40 119.45 2qr9 s VAL 364 Ca 0.20 1.45 -0.32 0.00 0.00 0.00 0.00 61.98 63.31 2qr9 s VAL 364 Cb 0.18 -3.98 -0.15 0.00 0.00 0.00 0.00 36.38 32.43 2qr9 s VAL 364 CO 0.58 -0.17 1.18 -2.65 0.00 0.00 0.00 175.10 174.04 2qr9 n PRO 365 N 6.75 1.32 0.00 2.72 -0.02 -1.26 -1.42 135.00 143.08 2qr9 n PRO 365 Ca 0.14 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 2qr9 n PRO 365 Cb 0.45 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2qr9 n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qr9 n GLY 366 N 1.95 2.87 0.20 -1.23 0.00 -1.26 -4.90 105.19 102.83 2qr9 n GLY 366 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 2qr9 n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2qr9 h PHE 367 N 0.00 0.66 0.00 1.61 3.57 -1.52 -2.44 116.94 118.82 2qr9 h PHE 367 Ca 0.00 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2qr9 h PHE 367 Cb 0.00 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.55 2qr9 h PHE 367 CO 0.00 0.59 0.00 1.33 -2.23 0.00 0.00 178.31 178.00 2qr9 n VAL 368 N -4.60 0.89 0.44 1.41 0.24 -1.26 -1.91 118.33 113.54 2qr9 n VAL 368 Ca 0.00 0.30 0.13 0.00 -2.04 0.00 0.00 64.34 62.73 2qr9 n VAL 368 Cb 0.16 -1.23 0.46 0.00 -1.47 0.00 0.00 33.84 31.76 2qr9 n VAL 368 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2qr9 h ASP 369 N 0.00 0.00 -4.07 -1.34 3.32 -1.82 -3.45 116.42 109.05 2qr9 h ASP 369 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 2qr9 h ASP 369 Cb 0.30 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.87 2qr9 h ASP 369 CO 0.00 0.00 0.31 -0.76 -1.72 0.00 0.00 179.24 177.07 2qr9 s LEU 370 N -4.90 3.64 0.71 1.55 1.43 -0.80 -5.04 118.68 115.27 2qr9 s LEU 370 Ca 0.06 1.43 -0.14 0.00 -1.03 0.00 0.00 54.13 54.46 2qr9 s LEU 370 Cb 0.10 -4.37 0.03 0.00 0.03 0.00 0.00 46.19 41.98 2qr9 s LEU 370 CO 0.51 -0.57 1.12 0.42 0.23 0.00 0.00 176.35 178.07 2qr9 s THR 371 N -2.62 3.05 0.34 5.49 -4.23 -1.26 -4.78 115.64 111.63 2qr9 s THR 371 Ca 0.56 0.45 0.06 0.00 -1.18 0.00 0.00 61.69 61.58 2qr9 s THR 371 Cb -0.10 -2.94 0.30 0.00 1.34 0.00 0.00 72.50 71.10 2qr9 s THR 371 CO 0.34 -0.34 1.89 -0.07 -0.54 0.00 0.00 174.62 175.90 2qr9 h LEU 372 N -0.37 0.74 -1.13 4.79 3.38 -1.96 -0.85 115.31 119.92 2qr9 h LEU 372 Ca -0.46 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 2qr9 h LEU 372 Cb 1.25 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2qr9 h LEU 372 CO 0.52 0.42 0.09 0.45 0.09 0.00 0.00 178.44 180.01 2qr9 h HIS 373 N 0.81 0.72 0.09 1.13 3.86 -1.99 -0.68 115.15 119.09 2qr9 h HIS 373 Ca 0.41 -0.06 -0.27 0.00 -1.16 0.00 0.00 60.37 59.29 2qr9 h HIS 373 Cb 0.48 -0.21 0.01 0.00 1.06 0.00 0.00 27.41 28.75 2qr9 h HIS 373 CO -0.00 0.63 -1.15 -0.44 0.86 0.00 0.00 177.93 177.83 2qr9 h ASP 374 N 0.68 0.62 -0.40 2.45 3.32 -1.56 -2.32 116.42 119.21 2qr9 h ASP 374 Ca 0.15 -0.57 0.02 0.00 0.02 0.00 0.00 57.03 56.65 2qr9 h ASP 374 Cb 0.29 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 2qr9 h ASP 374 CO 0.00 1.40 0.22 1.56 -1.72 0.00 0.00 179.24 180.70 2qr9 h GLN 375 N 0.19 0.43 -0.38 3.56 4.20 -1.09 -1.65 115.11 120.37 2qr9 h GLN 375 Ca -0.14 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.58 2qr9 h GLN 375 Cb 1.83 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 29.47 2qr9 h GLN 375 CO 0.20 0.28 0.16 0.28 -0.67 0.00 0.00 178.83 179.09 2qr9 h VAL 376 N 0.44 0.93 -0.25 -0.54 2.07 -1.08 -2.01 116.25 115.81 2qr9 h VAL 376 Ca 0.16 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 2qr9 h VAL 376 Cb 0.04 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2qr9 h VAL 376 CO -0.09 0.06 0.13 -0.74 0.02 0.00 0.00 177.57 176.95 2qr9 h HIS 377 N 0.34 0.35 -0.65 1.57 -0.00 -1.28 0.33 115.15 115.81 2qr9 h HIS 377 Ca 0.17 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.51 2qr9 h HIS 377 Cb 0.11 -0.11 -0.03 0.00 -0.00 0.00 0.00 27.41 27.38 2qr9 h HIS 377 CO -0.12 0.32 0.33 -0.07 -0.00 0.00 0.00 177.93 178.38 2qr9 h LEU 378 N 0.28 0.84 -0.40 0.26 3.38 -1.14 0.23 115.31 118.76 2qr9 h LEU 378 Ca 0.09 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 2qr9 h LEU 378 Cb 0.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2qr9 h LEU 378 CO -0.01 0.72 -0.35 -0.07 0.09 0.00 0.00 178.44 178.82 2qr9 h LEU 379 N 0.89 1.00 -1.07 1.67 3.38 -1.27 -1.68 115.31 118.23 2qr9 h LEU 379 Ca 0.23 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 2qr9 h LEU 379 Cb 0.09 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 2qr9 h LEU 379 CO -0.03 1.24 0.43 -0.33 0.09 0.00 0.00 178.44 179.84 2qr9 h GLU 380 N 0.77 1.07 -0.20 1.13 5.08 -0.60 -0.65 114.58 121.18 2qr9 h GLU 380 Ca 0.07 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2qr9 h GLU 380 Cb 0.94 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 2qr9 h GLU 380 CO 0.09 0.78 -0.11 0.00 -1.00 0.00 0.00 179.01 178.77 2qr9 n ALA 382 N -2.41 3.22 -0.25 0.00 0.00 -0.66 -4.71 120.51 115.72 2qr9 n ALA 382 Ca -0.05 -0.58 -0.05 0.00 0.00 0.00 0.00 53.44 52.76 2qr9 n ALA 382 Cb 0.34 -0.90 0.06 0.00 0.00 0.00 0.00 19.45 18.94 2qr9 n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2qr9 h TRP 383 N 2.48 0.85 -0.13 0.00 5.08 -1.29 -1.26 115.95 121.67 2qr9 h TRP 383 Ca 0.00 0.02 -0.21 0.00 1.08 0.00 0.00 58.89 59.78 2qr9 h TRP 383 Cb 0.72 -0.29 0.00 0.00 -3.00 0.00 0.00 29.16 26.60 2qr9 h TRP 383 CO 0.00 0.52 -0.75 1.25 -1.28 0.00 0.00 178.44 178.18 2qr9 h LEU 384 N 0.91 0.79 -0.72 0.11 5.85 -1.86 -1.59 115.31 118.79 2qr9 h LEU 384 Ca 0.26 -0.51 0.11 0.00 0.84 0.00 0.00 57.88 58.58 2qr9 h LEU 384 Cb -0.07 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 40.65 2qr9 h LEU 384 CO -0.07 1.29 0.33 -0.33 -0.34 0.00 0.00 178.44 179.32 2qr9 h GLU 385 N 0.46 0.52 -0.14 1.25 5.08 -1.77 -0.28 114.58 119.69 2qr9 h GLU 385 Ca -0.04 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2qr9 h GLU 385 Cb 1.36 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 2qr9 h GLU 385 CO 0.15 0.34 -0.10 0.82 -1.00 0.00 0.00 179.01 179.22 2qr9 h ILE 386 N 0.53 1.33 -0.76 3.13 2.04 -1.02 -0.39 117.51 122.37 2qr9 h ILE 386 Ca 0.37 -1.19 0.08 0.00 1.00 0.00 0.00 64.86 65.12 2qr9 h ILE 386 Cb 0.47 1.81 -0.06 0.00 -0.74 0.00 0.00 36.82 38.29 2qr9 h ILE 386 CO -0.32 0.35 0.42 -0.07 0.00 0.00 0.00 178.15 178.53 2qr9 h LEU 387 N -0.04 0.62 -0.41 1.44 3.38 -1.13 -1.90 115.31 117.27 2qr9 h LEU 387 Ca 0.03 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 2qr9 h LEU 387 Cb 0.59 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2qr9 h LEU 387 CO 0.03 0.37 -0.14 0.24 0.09 0.00 0.00 178.44 179.03 2qr9 h MET 388 N 0.75 0.83 -0.42 1.13 2.86 -0.84 -1.18 114.93 118.05 2qr9 h MET 388 Ca 0.35 -0.34 -0.10 0.00 -2.06 0.00 0.00 59.70 57.56 2qr9 h MET 388 Cb 0.28 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 2qr9 h MET 388 CO -0.22 0.97 -0.12 0.97 1.06 0.00 0.00 176.91 179.56 2qr9 h ILE 389 N 0.64 1.26 -0.14 -1.22 2.10 -0.94 -0.78 117.51 118.43 2qr9 h ILE 389 Ca 0.10 -1.19 0.04 0.00 1.08 0.00 0.00 64.86 64.89 2qr9 h ILE 389 Cb 0.69 1.07 -0.04 0.00 -1.09 0.00 0.00 36.82 37.44 2qr9 h ILE 389 CO 0.05 0.40 -0.11 1.23 -1.08 0.00 0.00 178.15 178.64 2qr9 h GLY 390 N 0.97 -0.01 1.00 8.18 0.00 -1.14 -0.59 103.07 111.48 2qr9 h GLY 390 Ca 0.12 0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 2qr9 h GLY 390 CO 0.04 -0.13 0.37 -2.00 0.00 0.00 0.00 176.54 174.83 2qr9 h LEU 391 N -0.13 0.71 -0.46 3.11 5.85 -0.73 -1.17 115.31 122.49 2qr9 h LEU 391 Ca 0.09 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 2qr9 h LEU 391 Cb 0.26 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2qr9 h LEU 391 CO -0.22 0.55 0.04 0.58 -0.34 0.00 0.00 178.44 179.05 2qr9 h VAL 392 N 0.81 1.25 -0.30 1.05 2.07 -0.87 -1.18 116.25 119.10 2qr9 h VAL 392 Ca 0.22 -0.97 0.05 0.00 0.82 0.00 0.00 66.70 66.81 2qr9 h VAL 392 Cb -0.04 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 2qr9 h VAL 392 CO -0.04 0.34 0.02 -0.25 0.02 0.00 0.00 177.57 177.66 2qr9 h TRP 393 N 0.64 0.03 0.00 1.57 2.91 -0.68 -1.51 115.95 118.91 2qr9 h TRP 393 Ca 0.14 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.16 2qr9 h TRP 393 Cb 0.44 0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.12 2qr9 h TRP 393 CO 0.03 -0.02 -0.07 0.00 -1.03 0.00 0.00 178.44 177.36 2qr9 h ARG 394 N 0.12 0.00 0.00 2.65 3.08 -0.94 -2.87 114.38 116.41 2qr9 h ARG 394 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2qr9 h ARG 394 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2qr9 h ARG 394 CO -0.21 0.07 -0.86 0.43 -1.07 0.00 0.00 179.97 178.32 2qr9 n SER 395 N -3.27 0.63 -0.30 7.04 7.64 -0.47 -4.59 113.62 120.30 2qr9 n SER 395 Ca -0.01 -0.22 0.06 0.00 1.01 0.00 0.00 58.87 59.71 2qr9 n SER 395 Cb 0.27 0.61 0.15 0.00 -1.01 0.00 0.00 64.21 64.22 2qr9 n SER 395 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2qr9 h MET 396 N 0.00 0.02 -0.84 1.43 2.86 -1.07 0.14 114.93 117.47 2qr9 h MET 396 Ca 0.00 -0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.48 2qr9 h MET 396 Cb 0.67 -0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.23 2qr9 h MET 396 CO 0.00 0.01 0.21 0.39 1.06 0.00 0.00 176.91 178.58 2qr9 n GLU 397 N -5.50 2.86 -3.32 1.72 4.71 -1.26 -4.33 120.64 115.52 2qr9 n GLU 397 Ca 0.15 -2.12 -0.26 0.00 -0.01 0.00 0.00 57.16 54.92 2qr9 n GLU 397 Cb 0.49 -1.93 -0.08 0.00 -1.01 0.00 0.00 31.44 28.92 2qr9 n GLU 397 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2qr9 n HIS 398 N -0.05 1.94 -1.62 -0.32 8.25 0.48 -5.11 115.22 118.79 2qr9 n HIS 398 Ca 0.29 -3.90 -0.48 0.00 -0.26 0.00 0.00 57.72 53.37 2qr9 n HIS 398 Cb 1.09 -0.47 -0.04 0.00 1.12 0.00 0.00 29.99 31.69 2qr9 n HIS 398 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2qr9 n PRO 399 N 1.08 1.56 -0.53 -0.41 -0.04 -1.26 -1.45 135.00 133.94 2qr9 n PRO 399 Ca 0.26 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 2qr9 n PRO 399 Cb 0.46 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 2qr9 n PRO 399 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qr9 n GLY 400 N 2.34 1.68 3.11 0.55 0.00 -1.26 -5.01 105.19 106.60 2qr9 n GLY 400 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 2qr9 n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qr9 s LYS 401 N -0.10 0.68 -0.23 1.61 1.02 -0.53 -4.29 119.74 117.90 2qr9 s LYS 401 Ca 0.00 -0.82 -0.07 0.00 0.02 0.00 0.00 55.97 55.10 2qr9 s LYS 401 Cb 0.00 -0.57 -0.03 0.00 -0.52 0.00 0.00 37.83 36.71 2qr9 s LYS 401 CO 0.00 0.12 0.05 -0.51 -0.92 0.00 0.00 175.35 174.10 2qr9 s LEU 402 N -1.55 3.43 -1.15 3.17 1.43 0.19 -4.78 118.68 119.42 2qr9 s LEU 402 Ca -0.05 -0.18 -0.13 0.00 -1.03 0.00 0.00 54.13 52.75 2qr9 s LEU 402 Cb -0.10 -1.90 0.21 0.00 0.03 0.00 0.00 46.19 44.43 2qr9 s LEU 402 CO 0.01 0.01 1.29 -0.22 0.23 0.00 0.00 176.35 177.67 2qr9 s LEU 403 N 1.34 5.53 0.27 1.79 0.20 -1.26 -1.02 118.68 125.54 2qr9 s LEU 403 Ca 0.05 -3.13 -0.04 0.00 0.69 0.00 0.00 54.13 51.70 2qr9 s LEU 403 Cb -0.15 -2.33 0.34 0.00 -0.43 0.00 0.00 46.19 43.63 2qr9 s LEU 403 CO 0.03 -0.61 1.95 -0.26 -0.29 0.00 0.00 176.35 177.17 2qr9 h PHE 404 N 7.11 1.17 -3.49 5.38 0.04 -1.50 -3.44 116.94 122.21 2qr9 h PHE 404 Ca 0.25 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 61.03 2qr9 h PHE 404 Cb 0.89 -0.40 -0.08 0.00 2.20 0.00 0.00 35.95 38.56 2qr9 h PHE 404 CO 0.99 0.73 -0.03 0.00 -0.60 0.00 0.00 178.31 179.40 2qr9 s ALA 405 N -6.04 -0.49 0.39 2.45 0.00 -1.03 -4.92 121.76 112.12 2qr9 s ALA 405 Ca -0.12 -0.72 0.11 0.00 0.00 0.00 0.00 51.96 51.22 2qr9 s ALA 405 Cb 0.18 1.01 0.79 0.00 0.00 0.00 0.00 23.12 25.10 2qr9 s ALA 405 CO 0.81 -0.89 1.89 -1.35 0.00 0.00 0.00 175.76 176.22 2qr9 h PRO 406 N 2.20 0.12 -0.64 0.00 0.11 -1.89 -2.29 132.00 129.62 2qr9 h PRO 406 Ca -0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2qr9 h PRO 406 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2qr9 h PRO 406 CO 0.33 0.35 0.00 0.27 -0.21 0.00 0.00 178.00 178.74 2qr9 n ASN 407 N -4.22 4.17 -3.21 -2.05 6.94 -1.26 -4.60 115.26 111.03 2qr9 n ASN 407 Ca -0.01 -2.44 -0.22 0.00 -0.02 0.00 0.00 54.58 51.88 2qr9 n ASN 407 Cb 0.32 -0.55 -0.07 0.00 -2.36 0.00 0.00 39.78 37.12 2qr9 n ASN 407 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2qr9 n LEU 408 N 0.82 -0.81 -4.21 -4.53 7.94 -0.86 -4.82 117.00 110.52 2qr9 n LEU 408 Ca 0.21 -4.22 -0.37 0.00 -1.11 0.00 0.00 56.01 50.52 2qr9 n LEU 408 Cb 0.81 0.62 -0.13 0.00 0.53 0.00 0.00 43.42 45.25 2qr9 n LEU 408 CO 0.21 1.94 -0.27 -0.22 -1.11 0.00 0.00 177.39 177.94 2qr9 s LEU 409 N -0.27 4.35 0.01 -1.96 2.96 -1.25 -1.18 118.68 121.34 2qr9 s LEU 409 Ca 0.33 -1.35 0.06 0.00 -0.22 0.00 0.00 54.13 52.95 2qr9 s LEU 409 Cb 0.09 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 2qr9 s LEU 409 CO -0.16 -0.35 -0.17 -0.76 -1.32 0.00 0.00 176.35 173.59 2qr9 s LEU 410 N 1.31 2.61 0.53 -0.68 1.43 -0.19 -4.92 118.68 118.77 2qr9 s LEU 410 Ca -0.01 -0.35 0.06 0.00 -1.03 0.00 0.00 54.13 52.80 2qr9 s LEU 410 Cb -0.20 -1.52 0.05 0.00 0.03 0.00 0.00 46.19 44.55 2qr9 s LEU 410 CO 0.00 0.29 0.73 1.51 0.23 0.00 0.00 176.35 179.11 2qr9 s ASP 411 N -1.14 5.26 0.35 2.29 1.47 -1.26 -0.64 116.67 123.00 2qr9 s ASP 411 Ca 0.13 -0.46 0.10 0.00 1.18 0.00 0.00 52.55 53.50 2qr9 s ASP 411 Cb -0.10 -0.34 0.63 0.00 -0.34 0.00 0.00 42.92 42.77 2qr9 s ASP 411 CO 0.03 -1.14 1.79 0.08 0.68 0.00 0.00 175.17 176.61 2qr9 h ARG 412 N 0.25 0.11 -0.13 2.11 0.11 -1.98 -2.13 114.38 112.73 2qr9 h ARG 412 Ca -0.37 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 59.65 2qr9 h ARG 412 Cb 1.28 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.35 2qr9 h ARG 412 CO 0.44 0.46 -0.03 -0.91 0.10 0.00 0.00 179.97 180.04 2qr9 h ASN 413 N 0.09 0.16 -0.16 0.08 2.35 -1.95 -2.96 115.58 113.20 2qr9 h ASN 413 Ca 0.01 -0.02 -0.20 0.00 -0.55 0.00 0.00 56.30 55.54 2qr9 h ASN 413 Cb 0.69 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.02 2qr9 h ASN 413 CO 0.05 0.22 -0.67 1.56 -1.65 0.00 0.00 177.43 176.94 2qr9 h GLN 414 N 0.18 0.78 -0.73 0.81 4.20 -1.78 -3.06 115.11 115.52 2qr9 h GLN 414 Ca 0.04 -0.57 0.00 0.00 0.06 0.00 0.00 58.65 58.18 2qr9 h GLN 414 Cb 0.17 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.05 2qr9 h GLN 414 CO 0.01 1.19 0.00 0.41 -0.67 0.00 0.00 178.83 179.76 2qr9 n GLY 415 N 0.53 2.56 0.11 3.46 0.00 -1.23 -3.38 105.19 107.23 2qr9 n GLY 415 Ca -0.06 -0.82 0.08 0.00 0.00 0.00 0.00 46.02 45.22 2qr9 n GLY 415 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qr9 n LYS 416 N 1.55 0.10 0.00 1.61 3.00 -1.12 -1.33 118.16 121.97 2qr9 n LYS 416 Ca 0.25 0.56 0.14 0.00 -0.00 0.00 0.00 58.31 59.26 2qr9 n LYS 416 Cb 0.69 -1.80 0.63 0.00 0.00 0.00 0.00 35.03 34.55 2qr9 n LYS 416 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qr9 s VAL 418 N -2.94 4.98 0.07 0.00 1.01 -0.44 -3.63 120.40 119.45 2qr9 s VAL 418 Ca 0.16 0.06 -0.33 0.00 0.00 0.00 0.00 61.98 61.87 2qr9 s VAL 418 Cb 0.19 -3.35 -0.12 0.00 0.00 0.00 0.00 36.38 33.10 2qr9 s VAL 418 CO 0.53 0.30 1.79 1.21 0.00 0.00 0.00 175.10 178.92 2qr9 n GLU 419 N 4.88 2.47 -0.98 2.72 2.13 -1.26 -1.38 120.64 129.23 2qr9 n GLU 419 Ca -0.15 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.57 2qr9 n GLU 419 Cb 0.52 -2.75 0.00 0.00 0.27 0.00 0.00 31.44 29.48 2qr9 n GLU 419 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qr9 n GLY 420 N 4.09 0.62 0.10 8.31 0.00 -1.26 -4.91 105.19 112.14 2qr9 n GLY 420 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 2qr9 n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2qr9 h MET 421 N 1.59 0.16 -0.08 1.61 -1.53 -1.47 -3.38 114.93 111.83 2qr9 h MET 421 Ca 0.00 -0.27 -0.08 0.00 -3.44 0.00 0.00 59.70 55.91 2qr9 h MET 421 Cb 0.07 0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.21 2qr9 h MET 421 CO 0.00 1.01 -0.30 -0.24 0.14 0.00 0.00 176.91 177.52 2qr9 h VAL 422 N 0.04 1.25 -0.32 -5.77 3.04 -1.75 -1.08 116.25 111.67 2qr9 h VAL 422 Ca -0.19 -1.17 0.06 0.00 -1.01 0.00 0.00 66.70 64.39 2qr9 h VAL 422 Cb 1.96 1.52 -0.05 0.00 -2.01 0.00 0.00 31.29 32.70 2qr9 h VAL 422 CO 0.15 0.35 -0.03 -0.33 -1.01 0.00 0.00 177.57 176.70 2qr9 h GLU 423 N 0.14 0.06 -0.53 4.17 3.07 -1.96 -0.40 114.58 119.12 2qr9 h GLU 423 Ca 0.02 -0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.81 2qr9 h GLU 423 Cb 0.61 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.48 2qr9 h GLU 423 CO 0.04 0.04 0.09 0.82 -1.40 0.00 0.00 179.01 178.60 2qr9 h ILE 424 N 0.06 1.25 -0.06 3.13 2.04 -1.51 -2.63 117.51 119.80 2qr9 h ILE 424 Ca 0.16 -0.95 0.01 0.00 1.00 0.00 0.00 64.86 65.08 2qr9 h ILE 424 Cb 0.22 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 2qr9 h ILE 424 CO -0.29 0.34 0.00 0.15 0.00 0.00 0.00 178.15 178.36 2qr9 h PHE 425 N 0.76 0.01 -0.90 1.37 3.57 -0.99 -0.13 116.94 120.64 2qr9 h PHE 425 Ca 0.16 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.78 2qr9 h PHE 425 Cb 0.40 0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.06 2qr9 h PHE 425 CO 0.03 -0.00 0.53 -0.44 -2.23 0.00 0.00 178.31 176.19 2qr9 h ASP 426 N 0.03 0.74 -0.55 0.41 3.32 -1.01 -0.14 116.42 119.22 2qr9 h ASP 426 Ca 0.03 0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.04 2qr9 h ASP 426 Cb 0.03 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2qr9 h ASP 426 CO -0.04 0.38 -0.02 0.24 -1.72 0.00 0.00 179.24 178.08 2qr9 h MET 427 N 0.83 0.98 -0.37 3.56 2.86 -0.95 -1.56 114.93 120.28 2qr9 h MET 427 Ca 0.45 -0.32 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 2qr9 h MET 427 Cb 0.49 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 2qr9 h MET 427 CO -0.28 1.00 0.04 -0.07 1.06 0.00 0.00 176.91 178.66 2qr9 h LEU 428 N 0.86 0.61 -0.76 1.22 3.38 -0.28 -1.92 115.31 118.42 2qr9 h LEU 428 Ca 0.15 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.88 2qr9 h LEU 428 Cb 0.57 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 2qr9 h LEU 428 CO 0.03 0.73 0.49 -0.07 0.09 0.00 0.00 178.44 179.71 2qr9 h LEU 429 N 0.47 0.80 -0.29 1.67 3.38 -1.00 -1.38 115.31 118.97 2qr9 h LEU 429 Ca 0.11 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.13 2qr9 h LEU 429 Cb 0.40 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 2qr9 h LEU 429 CO 0.01 0.56 -0.04 0.00 0.09 0.00 0.00 178.44 179.06 2qr9 h ALA 430 N 1.32 0.22 -0.58 1.53 0.00 -1.03 -0.82 119.26 119.90 2qr9 h ALA 430 Ca 0.30 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.32 2qr9 h ALA 430 Cb 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2qr9 h ALA 430 CO -0.11 -0.44 0.38 1.15 0.00 0.00 0.00 179.25 180.24 2qr9 h THR 431 N 0.04 1.15 -0.71 0.00 2.02 -0.90 -0.80 112.91 113.71 2qr9 h THR 431 Ca 0.14 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 67.03 2qr9 h THR 431 Cb 0.20 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 2qr9 h THR 431 CO -0.27 0.14 0.37 -1.28 0.37 0.00 0.00 175.52 174.85 2qr9 h SER 432 N 0.79 0.91 -0.76 4.18 0.87 -0.91 -0.27 113.55 118.36 2qr9 h SER 432 Ca 0.21 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 2qr9 h SER 432 Cb -0.09 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.60 2qr9 h SER 432 CO -0.05 0.77 0.29 0.28 -0.53 0.00 0.00 176.83 177.59 2qr9 h SER 433 N 0.99 1.06 -0.26 6.23 0.02 -0.85 -0.30 113.55 120.44 2qr9 h SER 433 Ca 0.25 -0.18 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 2qr9 h SER 433 Cb 0.08 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 2qr9 h SER 433 CO -0.04 0.95 0.07 -0.09 -1.14 0.00 0.00 176.83 176.59 2qr9 h ARG 434 N 1.10 0.18 -0.65 3.45 9.65 -0.60 -0.98 114.38 126.53 2qr9 h ARG 434 Ca 0.25 -0.01 0.02 0.00 -1.10 0.00 0.00 59.98 59.14 2qr9 h ARG 434 Cb 0.24 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.74 2qr9 h ARG 434 CO -0.02 0.12 0.41 0.74 2.80 0.00 0.00 179.97 184.02 2qr9 h PHE 435 N 0.18 0.77 0.04 2.20 0.04 -0.77 -0.96 116.94 118.45 2qr9 h PHE 435 Ca 0.11 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 2qr9 h PHE 435 Cb 0.10 -0.26 0.00 0.00 2.20 0.00 0.00 35.95 37.99 2qr9 h PHE 435 CO -0.14 0.46 -0.02 -0.09 -0.60 0.00 0.00 178.31 177.92 2qr9 h ARG 436 N 0.82 -0.06 -0.79 1.51 2.43 -0.71 -0.94 114.38 116.65 2qr9 h ARG 436 Ca 0.25 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.53 2qr9 h ARG 436 Cb -0.03 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.46 2qr9 h ARG 436 CO -0.08 0.08 0.41 1.98 -1.51 0.00 0.00 179.97 180.85 2qr9 h MET 437 N -0.18 0.65 0.00 0.20 4.05 -1.07 0.37 114.93 118.95 2qr9 h MET 437 Ca -0.01 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 2qr9 h MET 437 Cb 0.16 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 2qr9 h MET 437 CO 0.01 0.43 0.00 -1.33 0.23 0.00 0.00 176.91 176.25 2qr9 n MET 438 N -4.83 0.06 -3.63 0.39 2.81 -0.37 -4.94 117.12 106.61 2qr9 n MET 438 Ca 0.13 0.08 -0.23 0.00 -1.81 0.00 0.00 57.70 55.87 2qr9 n MET 438 Cb 0.32 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.37 2qr9 n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2qr9 n ASN 439 N -1.46 -2.99 -4.71 7.83 5.15 0.12 -4.90 115.26 114.30 2qr9 n ASN 439 Ca 0.07 -0.86 -0.43 0.00 -0.60 0.00 0.00 54.58 52.76 2qr9 n ASN 439 Cb 0.27 -4.04 -0.03 0.00 -0.53 0.00 0.00 39.78 35.45 2qr9 n ASN 439 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2qr9 n LEU 440 N -4.10 3.80 -4.92 1.20 7.94 -0.62 -4.98 117.00 115.32 2qr9 n LEU 440 Ca -0.21 1.09 -0.27 0.00 -1.11 0.00 0.00 56.01 55.51 2qr9 n LEU 440 Cb 0.65 -1.53 -0.03 0.00 0.53 0.00 0.00 43.42 43.04 2qr9 n LEU 440 CO 0.67 0.01 0.13 -1.10 -1.11 0.00 0.00 177.39 175.99 2qr9 s GLN 441 N 0.60 3.55 0.31 1.96 -1.52 -1.26 -4.97 119.66 118.34 2qr9 s GLN 441 Ca 0.73 -0.21 0.00 0.00 -1.95 0.00 0.00 55.36 53.93 2qr9 s GLN 441 Cb -0.55 -2.72 0.51 0.00 -0.22 0.00 0.00 33.01 30.03 2qr9 s GLN 441 CO 0.39 0.27 1.93 0.78 -0.25 0.00 0.00 175.29 178.40 2qr9 h GLY 442 N 1.56 0.91 1.27 3.09 0.00 -1.99 -0.05 103.07 107.86 2qr9 h GLY 442 Ca -0.48 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 46.33 2qr9 h GLY 442 CO 0.66 0.40 -0.08 0.83 0.00 0.00 0.00 176.54 178.34 2qr9 h GLU 443 N 0.85 0.87 -0.39 4.80 3.07 -1.97 -1.80 114.58 120.01 2qr9 h GLU 443 Ca 0.21 -0.29 -0.06 0.00 -0.50 0.00 0.00 59.36 58.73 2qr9 h GLU 443 Cb 0.07 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 2qr9 h GLU 443 CO -0.03 0.92 0.01 0.93 -1.40 0.00 0.00 179.01 179.44 2qr9 h GLU 444 N 0.79 0.68 -0.42 2.33 5.08 -1.79 -3.01 114.58 118.24 2qr9 h GLU 444 Ca 0.13 -0.21 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 2qr9 h GLU 444 Cb 0.59 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 2qr9 h GLU 444 CO 0.04 0.77 0.15 0.35 -1.00 0.00 0.00 179.01 179.32 2qr9 h PHE 445 N 0.51 0.27 -0.05 4.33 3.57 -0.80 -1.39 116.94 123.37 2qr9 h PHE 445 Ca 0.11 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.52 2qr9 h PHE 445 Cb 0.45 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2qr9 h PHE 445 CO 0.04 0.10 -0.48 -0.39 -2.23 0.00 0.00 178.31 175.35 2qr9 h VAL 446 N 0.32 1.34 -0.10 1.41 -1.51 -1.38 -1.39 116.25 114.94 2qr9 h VAL 446 Ca 0.19 -1.67 -0.00 0.00 -1.23 0.00 0.00 66.70 63.99 2qr9 h VAL 446 Cb 0.17 1.84 -0.00 0.00 -2.13 0.00 0.00 31.29 31.17 2qr9 h VAL 446 CO -0.19 0.49 0.06 0.00 -1.23 0.00 0.00 177.57 176.70 2qr9 h LEU 448 N 0.09 0.77 -1.03 0.00 3.38 -0.92 -0.39 115.31 117.22 2qr9 h LEU 448 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2qr9 h LEU 448 Cb 0.06 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 2qr9 h LEU 448 CO -0.01 0.52 0.38 0.50 0.09 0.00 0.00 178.44 179.92 2qr9 h LYS 449 N 0.91 1.06 -0.14 1.13 3.64 -1.29 -2.03 116.57 119.86 2qr9 h LYS 449 Ca 0.31 -0.14 -0.16 0.00 -1.27 0.00 0.00 60.65 59.40 2qr9 h LYS 449 Cb 0.06 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 2qr9 h LYS 449 CO -0.13 0.81 -0.58 0.77 -2.27 0.00 0.00 179.45 178.05 2qr9 h SER 450 N 1.06 0.49 -0.62 4.20 0.02 -0.97 -2.45 113.55 115.28 2qr9 h SER 450 Ca 0.26 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2qr9 h SER 450 Cb 0.08 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 2qr9 h SER 450 CO -0.04 0.96 0.39 0.40 -1.14 0.00 0.00 176.83 177.41 2qr9 h ILE 451 N 0.33 1.17 -0.25 3.27 2.04 -0.83 -2.14 117.51 121.10 2qr9 h ILE 451 Ca 0.00 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2qr9 h ILE 451 Cb 1.10 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 2qr9 h ILE 451 CO 0.10 0.17 0.16 0.40 0.00 0.00 0.00 178.15 178.99 2qr9 h ILE 452 N 0.84 1.06 -0.38 -0.67 2.04 -1.23 0.23 117.51 119.41 2qr9 h ILE 452 Ca 0.23 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 66.02 2qr9 h ILE 452 Cb -0.06 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 2qr9 h ILE 452 CO -0.05 0.06 0.10 0.25 0.00 0.00 0.00 178.15 178.52 2qr9 h LEU 453 N 0.34 0.07 0.00 1.44 5.85 -1.26 -2.26 115.31 119.48 2qr9 h LEU 453 Ca 0.09 0.05 -0.17 0.00 0.84 0.00 0.00 57.88 58.70 2qr9 h LEU 453 Cb -0.03 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2qr9 h LEU 453 CO -0.02 0.07 -0.87 -0.07 -0.34 0.00 0.00 178.44 177.21 2qr9 h LEU 454 N 0.24 0.00 0.11 2.25 3.38 -1.03 -3.38 115.31 116.87 2qr9 h LEU 454 Ca 0.18 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.79 2qr9 h LEU 454 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2qr9 h LEU 454 CO -0.21 0.76 -1.99 -3.20 0.09 0.00 0.00 178.44 173.88 2qr9 n ASN 455 N -3.24 2.02 0.12 -0.43 5.15 0.78 -4.09 115.26 115.57 2qr9 n ASN 455 Ca -0.01 0.21 -0.00 0.00 -0.60 0.00 0.00 54.58 54.18 2qr9 n ASN 455 Cb 0.85 -0.78 0.29 0.00 -0.53 0.00 0.00 39.78 39.61 2qr9 n ASN 455 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2qr9 h SER 456 N 0.06 0.19 -0.38 1.20 0.02 -1.59 -1.11 113.55 111.94 2qr9 h SER 456 Ca -0.42 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2qr9 h SER 456 Cb 2.03 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.52 2qr9 h SER 456 CO 0.08 0.52 0.00 0.61 -1.14 0.00 0.00 176.83 176.90 2qr9 n GLY 457 N -0.40 1.71 0.21 -3.77 0.00 -1.26 -4.65 105.19 97.03 2qr9 n GLY 457 Ca -0.01 -0.71 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 2qr9 n GLY 457 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2qr9 h VAL 458 N 4.28 1.32 -0.00 1.61 3.04 -1.34 -3.09 116.25 122.06 2qr9 h VAL 458 Ca 0.00 -1.79 0.00 0.00 -1.01 0.00 0.00 66.70 63.90 2qr9 h VAL 458 Cb 0.96 1.77 0.00 0.00 -2.01 0.00 0.00 31.29 32.01 2qr9 h VAL 458 CO 0.00 0.56 -0.16 -1.22 -1.01 0.00 0.00 177.57 175.74 2qr9 n TYR 459 N -3.96 0.00 -0.35 3.17 4.01 -1.26 -2.99 117.16 115.78 2qr9 n TYR 459 Ca -0.03 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.82 2qr9 n TYR 459 Cb 0.60 -0.34 0.33 0.00 -0.31 0.00 0.00 39.34 39.61 2qr9 n TYR 459 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2qr9 n THR 460 N -1.35 1.09 0.00 -0.72 -2.24 -1.17 -5.25 114.28 104.64 2qr9 n THR 460 Ca 0.09 -1.00 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 2qr9 n THR 460 Cb 0.32 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 2qr9 n THR 460 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2qr9 n PHE 461 N 1.56 -0.26 0.00 4.78 3.01 -1.16 -5.14 117.46 120.25 2qr9 n PHE 461 Ca 0.24 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.70 2qr9 n PHE 461 Cb 0.65 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.12 2qr9 n PHE 461 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 2qr9 n THR 465 N -0.26 0.00 -0.10 4.37 -1.04 -1.26 -5.15 114.28 110.84 2qr9 n THR 465 Ca 0.00 0.46 -0.10 0.00 -2.04 0.00 0.00 64.05 62.36 2qr9 n THR 465 Cb 0.00 -1.38 -0.14 0.00 -1.82 0.00 0.00 70.33 66.99 2qr9 n THR 465 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2qr9 n LEU 466 N -1.93 0.49 0.19 -4.42 7.99 -1.26 -4.27 117.00 113.80 2qr9 n LEU 466 Ca 0.00 -0.02 0.14 0.00 -0.01 0.00 0.00 56.01 56.12 2qr9 n LEU 466 Cb 0.00 0.25 0.67 0.00 -0.11 0.00 0.00 43.42 44.23 2qr9 n LEU 466 CO 0.00 0.53 0.91 0.11 -1.51 0.00 0.00 177.39 177.43 2qr9 h LYS 467 N 0.00 0.00 -0.24 3.23 1.57 -2.06 -3.13 116.57 115.94 2qr9 h LYS 467 Ca -0.51 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.26 2qr9 h LYS 467 Cb 2.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.39 2qr9 h LYS 467 CO 0.01 0.00 0.08 0.77 -0.57 0.00 0.00 179.45 179.74 2qr9 h SER 468 N 0.00 0.34 0.41 0.86 0.02 -2.00 -2.88 113.55 110.29 2qr9 h SER 468 Ca 0.00 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2qr9 h SER 468 Cb 0.15 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2qr9 h SER 468 CO 0.00 0.44 -0.64 0.18 -1.14 0.00 0.00 176.83 175.67 2qr9 n LEU 469 N -4.77 0.61 0.04 5.07 4.77 -1.18 -1.69 117.00 119.84 2qr9 n LEU 469 Ca -0.03 -0.09 -0.08 0.00 -0.03 0.00 0.00 56.01 55.78 2qr9 n LEU 469 Cb 0.15 -0.19 -0.13 0.00 -2.33 0.00 0.00 43.42 40.92 2qr9 n LEU 469 CO 0.36 0.14 -0.07 -0.33 -1.33 0.00 0.00 177.39 176.16 2qr9 h GLU 470 N 0.00 0.01 -0.32 3.23 4.39 -1.67 -3.10 114.58 117.11 2qr9 h GLU 470 Ca 0.00 -0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.54 2qr9 h GLU 470 Cb 0.53 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 2qr9 h GLU 470 CO 0.00 0.85 -0.40 0.93 -1.16 0.00 0.00 179.01 179.23 2qr9 h GLU 471 N 0.00 0.79 -0.28 2.33 4.39 -1.33 -1.90 114.58 118.59 2qr9 h GLU 471 Ca -0.10 -0.42 -0.14 0.00 0.34 0.00 0.00 59.36 59.05 2qr9 h GLU 471 Cb 1.85 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.50 2qr9 h GLU 471 CO 0.12 1.04 -0.40 0.87 -1.16 0.00 0.00 179.01 179.48 2qr9 h LYS 472 N 0.64 0.66 -0.11 2.33 1.57 -1.48 -2.95 116.57 117.22 2qr9 h LYS 472 Ca 0.05 -0.34 -0.15 0.00 -1.87 0.00 0.00 60.65 58.34 2qr9 h LYS 472 Cb 0.96 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 2qr9 h LYS 472 CO 0.09 0.94 -0.59 0.22 -0.57 0.00 0.00 179.45 179.54 2qr9 h ASP 473 N 0.54 0.42 -0.11 0.86 3.58 -1.45 -2.38 116.42 117.88 2qr9 h ASP 473 Ca 0.05 -0.24 -0.00 0.00 0.42 0.00 0.00 57.03 57.26 2qr9 h ASP 473 Cb 0.92 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.85 2qr9 h ASP 473 CO 0.08 0.91 0.06 -0.74 -2.88 0.00 0.00 179.24 176.67 2qr9 h HIS 474 N 0.28 0.16 -0.48 0.28 2.76 -1.32 -1.59 115.15 115.23 2qr9 h HIS 474 Ca -0.00 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.23 2qr9 h HIS 474 Cb 1.11 -0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.96 2qr9 h HIS 474 CO 0.03 0.20 0.15 0.82 -1.30 0.00 0.00 177.93 177.83 2qr9 h ILE 475 N 0.07 0.81 -0.28 6.26 2.04 -1.48 -1.13 117.51 123.80 2qr9 h ILE 475 Ca 0.04 -0.11 -0.07 0.00 1.00 0.00 0.00 64.86 65.72 2qr9 h ILE 475 Cb 0.10 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2qr9 h ILE 475 CO -0.01 0.06 -0.12 0.45 0.00 0.00 0.00 178.15 178.53 2qr9 h HIS 476 N 0.32 0.49 -0.35 1.37 3.86 -1.28 0.42 115.15 119.98 2qr9 h HIS 476 Ca 0.23 -0.07 -0.06 0.00 -1.16 0.00 0.00 60.37 59.31 2qr9 h HIS 476 Cb 0.26 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 2qr9 h HIS 476 CO -0.17 0.58 0.00 0.00 0.86 0.00 0.00 177.93 179.19 2qr9 h ARG 477 N 0.43 0.62 -0.40 2.45 3.08 -0.69 -0.50 114.38 119.38 2qr9 h ARG 477 Ca 0.08 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 2qr9 h ARG 477 Cb 0.48 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 2qr9 h ARG 477 CO 0.03 0.74 0.10 0.28 -1.07 0.00 0.00 179.97 180.05 2qr9 h VAL 478 N 0.43 1.23 -0.74 2.04 2.07 -0.94 -1.82 116.25 118.52 2qr9 h VAL 478 Ca 0.10 -0.77 0.10 0.00 0.82 0.00 0.00 66.70 66.95 2qr9 h VAL 478 Cb 0.46 0.97 -0.08 0.00 -1.52 0.00 0.00 31.29 31.12 2qr9 h VAL 478 CO 0.02 0.27 0.37 -0.07 0.02 0.00 0.00 177.57 178.18 2qr9 h LEU 479 N 0.50 0.47 -1.16 2.57 3.38 -0.81 -1.51 115.31 118.76 2qr9 h LEU 479 Ca 0.13 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.20 2qr9 h LEU 479 Cb 0.30 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 2qr9 h LEU 479 CO 0.00 0.25 0.57 0.44 0.09 0.00 0.00 178.44 179.80 2qr9 h ASP 480 N 0.61 0.93 -0.23 -0.43 3.32 -0.70 -0.96 116.42 118.97 2qr9 h ASP 480 Ca 0.37 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.35 2qr9 h ASP 480 Cb 0.42 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 2qr9 h ASP 480 CO -0.29 0.64 -0.04 0.11 -1.72 0.00 0.00 179.24 177.94 2qr9 h LYS 481 N 1.08 0.56 -0.14 3.56 1.57 -0.46 -1.19 116.57 121.55 2qr9 h LYS 481 Ca 0.35 -0.14 -0.18 0.00 -1.87 0.00 0.00 60.65 58.81 2qr9 h LYS 481 Cb 0.04 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 2qr9 h LYS 481 CO -0.11 0.61 -0.67 0.82 -0.57 0.00 0.00 179.45 179.54 2qr9 h ILE 482 N 0.53 1.33 -0.06 1.86 2.04 -0.47 -0.19 117.51 122.55 2qr9 h ILE 482 Ca 0.11 -1.96 0.02 0.00 1.00 0.00 0.00 64.86 64.02 2qr9 h ILE 482 Cb 0.40 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 2qr9 h ILE 482 CO 0.02 0.61 -0.06 0.74 0.00 0.00 0.00 178.15 179.46 2qr9 h THR 483 N 0.40 0.83 -0.64 -0.27 2.02 -0.93 -0.29 112.91 114.04 2qr9 h THR 483 Ca -0.02 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.29 2qr9 h THR 483 Cb 1.24 0.83 -0.09 0.00 -1.74 0.00 0.00 68.15 68.39 2qr9 h THR 483 CO 0.12 0.00 0.14 0.44 0.37 0.00 0.00 175.52 176.59 2qr9 h ASP 484 N -0.07 0.01 -0.62 4.18 3.32 -1.08 -0.58 116.42 121.58 2qr9 h ASP 484 Ca 0.04 0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.17 2qr9 h ASP 484 Cb 0.14 0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 2qr9 h ASP 484 CO -0.10 -0.00 0.21 0.74 -1.72 0.00 0.00 179.24 178.37 2qr9 h THR 485 N 0.27 1.24 -0.23 0.35 2.02 -0.65 -1.23 112.91 114.67 2qr9 h THR 485 Ca 0.34 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 2qr9 h THR 485 Cb 0.53 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2qr9 h THR 485 CO -0.43 0.31 0.06 -0.07 0.37 0.00 0.00 175.52 175.76 2qr9 h LEU 486 N 0.95 0.35 -0.20 2.58 3.38 0.17 -1.91 115.31 120.62 2qr9 h LEU 486 Ca 0.21 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2qr9 h LEU 486 Cb 0.25 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2qr9 h LEU 486 CO -0.01 0.47 0.08 0.40 0.09 0.00 0.00 178.44 179.47 2qr9 h ILE 487 N 0.20 1.16 -0.67 1.22 1.08 -0.99 -2.31 117.51 117.20 2qr9 h ILE 487 Ca 0.07 -0.50 0.13 0.00 -0.39 0.00 0.00 64.86 64.18 2qr9 h ILE 487 Cb 0.26 1.11 -0.13 0.00 -3.07 0.00 0.00 36.82 35.00 2qr9 h ILE 487 CO -0.00 0.16 -0.17 -0.74 -0.69 0.00 0.00 178.15 176.71 2qr9 h HIS 488 N 0.18 -0.37 -0.37 1.37 -0.00 -1.18 0.16 115.15 114.93 2qr9 h HIS 488 Ca 0.07 0.06 0.05 0.00 -0.00 0.00 0.00 60.37 60.55 2qr9 h HIS 488 Cb 0.18 0.27 -0.05 0.00 -0.00 0.00 0.00 27.41 27.81 2qr9 h HIS 488 CO -0.01 -0.29 0.10 -0.07 -0.00 0.00 0.00 177.93 177.66 2qr9 h LEU 489 N -0.01 0.07 -0.22 0.26 3.38 -1.15 0.64 115.31 118.29 2qr9 h LEU 489 Ca 0.32 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.32 2qr9 h LEU 489 Cb 0.49 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2qr9 h LEU 489 CO -0.69 0.07 0.06 0.24 0.09 0.00 0.00 178.44 178.22 2qr9 h MET 490 N 0.24 0.34 -0.32 1.13 2.86 -0.82 -0.67 114.93 117.68 2qr9 h MET 490 Ca 0.18 -0.08 0.06 0.00 -2.06 0.00 0.00 59.70 57.80 2qr9 h MET 490 Cb 0.18 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.74 2qr9 h MET 490 CO -0.21 0.44 -0.03 0.00 1.06 0.00 0.00 176.91 178.17 2qr9 h ALA 491 N 0.88 0.26 -0.41 6.32 0.00 -0.60 -2.46 119.26 123.25 2qr9 h ALA 491 Ca 0.07 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2qr9 h ALA 491 Cb 0.25 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2qr9 h ALA 491 CO -0.00 -0.43 0.19 -0.22 0.00 0.00 0.00 179.25 178.79 2qr9 h LYS 492 N 0.05 0.57 0.00 0.00 3.64 -0.68 -0.74 116.57 119.41 2qr9 h LYS 492 Ca 0.16 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2qr9 h LYS 492 Cb 0.22 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2qr9 h LYS 492 CO -0.29 0.46 0.00 0.00 -2.27 0.00 0.00 179.45 177.35 2qr9 n ALA 493 N -2.47 2.06 -0.36 5.00 0.00 -0.27 -4.90 120.51 119.57 2qr9 n ALA 493 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2qr9 n ALA 493 Cb 0.13 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.27 2qr9 n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qr9 n GLY 494 N 0.27 0.77 3.77 0.00 0.00 -0.28 -5.05 105.19 104.67 2qr9 n GLY 494 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 2qr9 n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qr9 s LEU 495 N 0.00 4.30 1.06 0.99 1.02 -0.96 -5.02 118.68 120.07 2qr9 s LEU 495 Ca 0.00 2.84 -0.12 0.00 0.02 0.00 0.00 54.13 56.87 2qr9 s LEU 495 Cb 0.00 -3.75 0.22 0.00 0.02 0.00 0.00 46.19 42.68 2qr9 s LEU 495 CO 0.00 -0.81 1.07 0.42 0.02 0.00 0.00 176.35 177.05 2qr9 s THR 496 N -1.17 2.12 0.16 5.49 -4.23 -1.26 -4.58 115.64 112.17 2qr9 s THR 496 Ca 0.54 0.04 -0.14 0.00 -1.18 0.00 0.00 61.69 60.94 2qr9 s THR 496 Cb -0.42 -2.31 0.05 0.00 1.34 0.00 0.00 72.50 71.16 2qr9 s THR 496 CO 0.56 -0.05 1.78 0.25 -0.54 0.00 0.00 174.62 176.62 2qr9 h LEU 497 N -2.19 0.63 -0.54 4.79 6.46 -1.99 0.23 115.31 122.69 2qr9 h LEU 497 Ca -0.57 -0.08 -0.08 0.00 -0.12 0.00 0.00 57.88 57.03 2qr9 h LEU 497 Cb 1.32 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 41.07 2qr9 h LEU 497 CO 0.53 0.53 0.04 -0.61 -0.62 0.00 0.00 178.44 178.30 2qr9 h GLN 498 N 0.67 0.93 -0.86 1.25 4.15 -2.01 -2.89 115.11 116.36 2qr9 h GLN 498 Ca 0.18 -0.28 0.02 0.00 0.77 0.00 0.00 58.65 59.33 2qr9 h GLN 498 Cb 0.04 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.59 2qr9 h GLN 498 CO -0.03 0.93 0.57 1.96 -1.93 0.00 0.00 178.83 180.33 2qr9 h GLN 499 N 0.81 1.11 0.16 1.69 4.20 -1.84 -1.39 115.11 119.85 2qr9 h GLN 499 Ca 0.16 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.82 2qr9 h GLN 499 Cb 0.49 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 2qr9 h GLN 499 CO 0.02 0.74 -0.38 1.96 -0.67 0.00 0.00 178.83 180.49 2qr9 h GLN 500 N 1.15 -0.62 -0.50 1.46 4.20 -0.37 0.90 115.11 121.33 2qr9 h GLN 500 Ca 0.32 0.04 -0.07 0.00 0.06 0.00 0.00 58.65 59.01 2qr9 h GLN 500 Cb -0.10 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 2qr9 h GLN 500 CO -0.08 -0.41 0.03 1.12 -0.67 0.00 0.00 178.83 178.81 2qr9 h HIS 501 N -0.64 0.86 -0.28 2.96 2.07 -1.36 -1.16 115.15 117.59 2qr9 h HIS 501 Ca 0.02 -0.11 -0.01 0.00 -2.85 0.00 0.00 60.37 57.42 2qr9 h HIS 501 Cb 0.65 -0.24 -0.01 0.00 2.57 0.00 0.00 27.41 30.38 2qr9 h HIS 501 CO -0.32 0.78 0.15 1.96 -3.07 0.00 0.00 177.93 177.42 2qr9 h GLN 502 N 0.76 0.40 -0.48 5.12 4.20 -1.15 -1.60 115.11 122.35 2qr9 h GLN 502 Ca 0.15 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.69 2qr9 h GLN 502 Cb 0.42 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 2qr9 h GLN 502 CO 0.02 0.36 -0.17 -0.09 -0.67 0.00 0.00 178.83 178.28 2qr9 h ARG 503 N 0.33 0.94 -0.30 1.46 2.43 -0.73 -1.66 114.38 116.85 2qr9 h ARG 503 Ca 0.10 -0.37 0.04 0.00 -0.81 0.00 0.00 59.98 58.94 2qr9 h ARG 503 Cb 0.09 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 2qr9 h ARG 503 CO -0.01 1.03 0.07 1.25 -1.51 0.00 0.00 179.97 180.79 2qr9 h LEU 504 N 0.83 0.03 -0.77 3.80 5.85 -1.09 -1.61 115.31 122.35 2qr9 h LEU 504 Ca 0.12 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2qr9 h LEU 504 Cb 0.72 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 2qr9 h LEU 504 CO 0.06 0.05 0.45 0.00 -0.34 0.00 0.00 178.44 178.66 2qr9 h ALA 505 N 1.22 0.98 -1.00 1.25 0.00 -1.13 -1.55 119.26 119.03 2qr9 h ALA 505 Ca 0.14 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2qr9 h ALA 505 Cb 0.15 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 2qr9 h ALA 505 CO -0.18 0.46 0.65 1.96 0.00 0.00 0.00 179.25 182.15 2qr9 h GLN 506 N 1.05 1.32 -0.08 0.00 4.20 -0.84 -1.10 115.11 119.67 2qr9 h GLN 506 Ca 0.27 -0.09 -0.20 0.00 0.06 0.00 0.00 58.65 58.69 2qr9 h GLN 506 Cb -0.02 -0.30 0.01 0.00 0.30 0.00 0.00 27.48 27.48 2qr9 h GLN 506 CO -0.05 0.88 -0.75 -0.07 -0.67 0.00 0.00 178.83 178.18 2qr9 h LEU 507 N 1.36 0.80 -0.75 1.46 3.38 -0.95 -2.99 115.31 117.61 2qr9 h LEU 507 Ca 0.37 -0.68 -0.13 0.00 0.09 0.00 0.00 57.88 57.52 2qr9 h LEU 507 Cb -0.14 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.35 2qr9 h LEU 507 CO -0.08 1.36 -0.58 -0.07 0.09 0.00 0.00 178.44 179.16 2qr9 h LEU 508 N 0.30 0.16 -1.29 1.67 3.38 -1.04 -2.53 115.31 115.97 2qr9 h LEU 508 Ca -0.07 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 2qr9 h LEU 508 Cb 1.40 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 2qr9 h LEU 508 CO 0.15 0.70 -0.30 -0.07 0.09 0.00 0.00 178.44 179.01 2qr9 h LEU 509 N 0.11 0.08 -1.63 1.67 3.38 -1.23 -2.19 115.31 115.51 2qr9 h LEU 509 Ca -0.00 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2qr9 h LEU 509 Cb 1.05 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 2qr9 h LEU 509 CO 0.08 0.39 0.32 0.40 0.09 0.00 0.00 178.44 179.73 2qr9 h ILE 510 N 0.08 1.00 -0.10 1.22 2.04 -1.29 -2.44 117.51 118.01 2qr9 h ILE 510 Ca 0.01 -0.16 0.03 0.00 1.00 0.00 0.00 64.86 65.74 2qr9 h ILE 510 Cb 0.58 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2qr9 h ILE 510 CO 0.04 0.09 0.10 -0.07 0.00 0.00 0.00 178.15 178.31 2qr9 h LEU 511 N 0.47 0.00 -0.29 1.44 3.38 -1.39 0.28 115.31 119.19 2qr9 h LEU 511 Ca 0.20 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.97 2qr9 h LEU 511 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2qr9 h LEU 511 CO -0.05 0.00 -0.74 0.28 0.09 0.00 0.00 178.44 178.02 2qr9 h SER 512 N 0.00 0.72 -0.49 -0.43 0.02 -1.53 -1.32 113.55 110.52 2qr9 h SER 512 Ca 0.05 -0.47 -0.09 0.00 -0.84 0.00 0.00 61.79 60.44 2qr9 h SER 512 Cb 0.24 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2qr9 h SER 512 CO -0.00 1.24 -0.01 -0.74 -1.14 0.00 0.00 176.83 176.17 2qr9 h HIS 513 N 0.42 1.00 -0.67 3.45 -0.00 -1.28 -0.91 115.15 117.17 2qr9 h HIS 513 Ca -0.04 -0.16 -0.07 0.00 -0.00 0.00 0.00 60.37 60.10 2qr9 h HIS 513 Cb 1.34 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 28.46 2qr9 h HIS 513 CO 0.06 0.91 0.16 0.82 -0.00 0.00 0.00 177.93 179.88 2qr9 h ILE 514 N 0.85 1.26 -0.08 6.26 2.04 -0.96 -0.97 117.51 125.92 2qr9 h ILE 514 Ca 0.16 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 65.07 2qr9 h ILE 514 Cb 0.52 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2qr9 h ILE 514 CO 0.03 0.36 0.01 -0.09 0.00 0.00 0.00 178.15 178.46 2qr9 h ARG 515 N 1.00 0.04 -0.34 2.37 9.65 -1.13 -0.81 114.38 125.15 2qr9 h ARG 515 Ca 0.21 -0.00 0.08 0.00 -1.10 0.00 0.00 59.98 59.16 2qr9 h ARG 515 Cb 0.37 -0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 28.86 2qr9 h ARG 515 CO 0.00 0.03 -0.24 1.25 2.80 0.00 0.00 179.97 183.81 2qr9 h HIS 516 N 0.04 -0.62 -0.90 2.20 2.76 -0.82 -0.47 115.15 117.34 2qr9 h HIS 516 Ca 0.03 0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.26 2qr9 h HIS 516 Cb 0.03 0.32 -0.04 0.00 1.55 0.00 0.00 27.41 29.27 2qr9 h HIS 516 CO -0.11 -0.31 0.60 0.52 -1.30 0.00 0.00 177.93 177.33 2qr9 h MET 517 N -0.19 1.19 -0.40 5.26 2.86 -1.01 -1.50 114.93 121.13 2qr9 h MET 517 Ca 0.17 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2qr9 h MET 517 Cb 0.46 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2qr9 h MET 517 CO -0.46 0.79 0.22 1.03 1.06 0.00 0.00 176.91 179.55 2qr9 h SER 518 N 1.22 0.51 -0.53 1.22 0.87 -0.64 0.21 113.55 116.42 2qr9 h SER 518 Ca 0.33 -0.10 0.04 0.00 -1.23 0.00 0.00 61.79 60.83 2qr9 h SER 518 Cb -0.14 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.65 2qr9 h SER 518 CO -0.07 0.46 0.29 0.78 -0.53 0.00 0.00 176.83 177.75 2qr9 h ASN 519 N 0.52 0.43 -0.21 6.23 2.35 -0.67 0.23 115.58 124.46 2qr9 h ASN 519 Ca 0.14 0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.82 2qr9 h ASN 519 Cb 0.07 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 2qr9 h ASN 519 CO -0.02 0.30 -0.18 0.11 -1.65 0.00 0.00 177.43 175.98 2qr9 h LYS 520 N 0.56 0.64 -0.46 0.81 1.79 -1.09 -2.58 116.57 116.23 2qr9 h LYS 520 Ca 0.23 -0.23 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 2qr9 h LYS 520 Cb 0.10 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 2qr9 h LYS 520 CO -0.14 0.78 0.22 0.78 -1.08 0.00 0.00 179.45 180.02 2qr9 h GLY 521 N 0.98 0.71 1.00 3.86 0.00 0.16 -2.20 103.07 107.58 2qr9 h GLY 521 Ca 0.09 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 2qr9 h GLY 521 CO 0.04 0.33 0.09 1.98 0.00 0.00 0.00 176.54 178.99 2qr9 h MET 522 N 0.60 0.87 -0.61 4.80 1.85 -0.39 -0.95 114.93 121.11 2qr9 h MET 522 Ca 0.16 -0.23 -0.05 0.00 -0.61 0.00 0.00 59.70 58.97 2qr9 h MET 522 Cb 0.11 -0.10 -0.03 0.00 0.43 0.00 0.00 31.60 32.01 2qr9 h MET 522 CO -0.02 0.85 0.19 0.93 -0.40 0.00 0.00 176.91 178.46 2qr9 h GLU 523 N 0.76 0.91 -0.28 0.39 4.39 -1.41 -0.36 114.58 118.98 2qr9 h GLU 523 Ca 0.16 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 2qr9 h GLU 523 Cb 0.40 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2qr9 h GLU 523 CO 0.01 0.79 0.05 1.25 -1.16 0.00 0.00 179.01 179.94 2qr9 h HIS 524 N 0.89 0.50 -0.85 4.33 2.76 -1.16 -0.97 115.15 120.65 2qr9 h HIS 524 Ca 0.20 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 2qr9 h HIS 524 Cb 0.26 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.04 2qr9 h HIS 524 CO 0.02 0.57 0.48 1.25 -1.30 0.00 0.00 177.93 178.94 2qr9 h LEU 525 N 0.29 1.05 -0.24 0.26 5.85 -0.99 0.13 115.31 121.67 2qr9 h LEU 525 Ca 0.09 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2qr9 h LEU 525 Cb 0.34 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2qr9 h LEU 525 CO 0.01 0.84 0.14 0.22 -0.34 0.00 0.00 178.44 179.31 2qr9 h TYR 526 N 1.18 0.32 -0.67 1.25 5.03 -1.01 0.23 116.97 123.31 2qr9 h TYR 526 Ca 0.30 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.60 2qr9 h TYR 526 Cb 0.01 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.16 2qr9 h TYR 526 CO 0.00 0.25 0.38 0.66 -1.32 0.00 0.00 178.16 178.13 2qr9 h SER 527 N 0.29 0.81 -0.52 -2.11 4.64 -0.65 0.24 113.55 116.26 2qr9 h SER 527 Ca 0.09 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.31 2qr9 h SER 527 Cb 0.03 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 2qr9 h SER 527 CO -0.02 0.65 0.18 0.24 -0.87 0.00 0.00 176.83 177.02 2qr9 h MET 528 N 0.93 0.80 -0.62 4.77 2.86 -0.74 -0.53 114.93 122.39 2qr9 h MET 528 Ca 0.24 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 2qr9 h MET 528 Cb 0.01 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 2qr9 h MET 528 CO -0.04 0.72 0.31 -0.22 1.06 0.00 0.00 176.91 178.74 2qr9 h LYS 529 N 0.71 0.89 0.00 1.72 3.11 -0.21 -2.26 116.57 120.53 2qr9 h LYS 529 Ca 0.17 -0.13 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 2qr9 h LYS 529 Cb 0.24 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.31 2qr9 h LYS 529 CO -0.01 0.71 0.00 0.00 -2.81 0.00 0.00 179.45 177.34 2qr9 n LYS 531 N -2.10 2.70 -3.89 0.00 5.02 -0.24 -4.98 118.16 114.68 2qr9 n LYS 531 Ca 0.05 -2.56 -0.28 0.00 -2.02 0.00 0.00 58.31 53.50 2qr9 n LYS 531 Cb 0.36 -1.57 -0.00 0.00 -0.02 0.00 0.00 35.03 33.80 2qr9 n LYS 531 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2qr9 n ASN 532 N 1.54 -1.79 0.10 4.39 4.13 -0.90 -4.91 115.26 117.81 2qr9 n ASN 532 Ca 0.24 -1.03 -0.23 0.00 1.68 0.00 0.00 54.58 55.23 2qr9 n ASN 532 Cb 0.61 -3.05 -0.15 0.00 -1.54 0.00 0.00 39.78 35.66 2qr9 n ASN 532 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 2qr9 h VAL 533 N -1.90 1.15 -3.38 2.41 2.07 -1.66 -3.48 116.25 111.47 2qr9 h VAL 533 Ca -0.65 -2.58 -0.18 0.00 0.82 0.00 0.00 66.70 64.11 2qr9 h VAL 533 Cb 1.37 2.93 -0.26 0.00 -1.52 0.00 0.00 31.29 33.82 2qr9 h VAL 533 CO 0.58 0.81 -0.53 0.54 0.02 0.00 0.00 177.57 178.99 2qr9 s VAL 534 N -2.56 0.01 0.15 2.57 0.11 -1.26 -4.70 120.40 114.72 2qr9 s VAL 534 Ca -0.13 -0.08 -0.29 0.00 -2.93 0.00 0.00 61.98 58.54 2qr9 s VAL 534 Cb 0.04 -0.25 -0.07 0.00 -1.53 0.00 0.00 36.38 34.58 2qr9 s VAL 534 CO 0.88 -0.05 0.93 -2.16 -3.33 0.00 0.00 175.10 171.38 2qr9 s PRO 535 N -0.09 4.73 -0.07 1.54 0.04 -1.26 -4.76 135.00 135.13 2qr9 s PRO 535 Ca -0.02 1.43 -0.05 0.00 0.04 0.00 0.00 61.00 62.40 2qr9 s PRO 535 Cb -0.02 -3.34 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 2qr9 s PRO 535 CO 0.00 0.33 0.15 -0.51 0.04 0.00 0.00 177.00 177.02 2qr9 s LEU 536 N -0.43 4.35 0.94 -3.56 1.02 -1.26 -5.01 118.68 114.72 2qr9 s LEU 536 Ca 0.44 0.40 -0.12 0.00 0.02 0.00 0.00 54.13 54.87 2qr9 s LEU 536 Cb -0.24 -2.30 0.09 0.00 0.02 0.00 0.00 46.19 43.76 2qr9 s LEU 536 CO 0.30 0.34 0.73 -1.54 0.02 0.00 0.00 176.35 176.20 2qr9 n SER 537 N 1.52 -1.04 -0.16 2.29 3.41 -1.26 -4.72 113.62 113.66 2qr9 n SER 537 Ca -0.16 0.36 -0.03 0.00 -0.26 0.00 0.00 58.87 58.78 2qr9 n SER 537 Cb 0.54 -1.32 0.18 0.00 -0.26 0.00 0.00 64.21 63.35 2qr9 n SER 537 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2qr9 h ASP 538 N -1.73 0.83 0.20 4.04 3.32 -1.99 -0.31 116.42 120.78 2qr9 h ASP 538 Ca -0.43 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.47 2qr9 h ASP 538 Cb 1.28 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.61 2qr9 h ASP 538 CO 0.37 0.78 -0.10 0.25 -1.72 0.00 0.00 179.24 178.82 2qr9 h LEU 539 N 0.87 -0.23 -0.89 1.55 5.85 -2.00 -2.06 115.31 118.41 2qr9 h LEU 539 Ca 0.20 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 2qr9 h LEU 539 Cb 0.24 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 2qr9 h LEU 539 CO -0.01 -0.16 0.49 -0.07 -0.34 0.00 0.00 178.44 178.35 2qr9 h LEU 540 N -0.27 1.12 -0.59 2.25 3.38 -1.81 -0.95 115.31 118.44 2qr9 h LEU 540 Ca -0.03 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 57.91 2qr9 h LEU 540 Cb 0.21 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 2qr9 h LEU 540 CO 0.04 0.90 0.27 -0.07 0.09 0.00 0.00 178.44 179.67 2qr9 h LEU 541 N 1.25 0.34 -0.47 1.67 4.07 -0.97 0.16 115.31 121.35 2qr9 h LEU 541 Ca 0.31 0.05 -0.10 0.00 0.08 0.00 0.00 57.88 58.22 2qr9 h LEU 541 Cb 0.03 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 2qr9 h LEU 541 CO -0.05 0.21 -0.11 -0.33 -1.08 0.00 0.00 178.44 177.09 2qr9 h GLU 542 N 0.49 0.90 -0.68 1.13 5.08 -0.71 -0.34 114.58 120.45 2qr9 h GLU 542 Ca 0.28 -0.34 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2qr9 h GLU 542 Cb 0.27 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2qr9 h GLU 542 CO -0.23 0.99 0.14 0.52 -1.00 0.00 0.00 179.01 179.43 2qr9 h MET 543 N 0.75 1.11 -0.53 2.33 2.86 -0.93 -2.46 114.93 118.06 2qr9 h MET 543 Ca 0.12 -0.28 -0.11 0.00 -2.06 0.00 0.00 59.70 57.37 2qr9 h MET 543 Cb 0.65 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 2qr9 h MET 543 CO 0.05 1.00 -0.10 1.25 1.06 0.00 0.00 176.91 180.16 2qr9 h LEU 544 N 1.04 0.98 -1.20 1.22 5.85 -0.66 -3.20 115.31 119.35 2qr9 h LEU 544 Ca 0.21 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 2qr9 h LEU 544 Cb 0.41 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 2qr9 h LEU 544 CO 0.01 1.09 -0.02 0.44 -0.34 0.00 0.00 178.44 179.62 2qr9 h ASP 545 N 0.88 0.49 -0.26 1.25 5.19 -0.89 -2.24 116.42 120.85 2qr9 h ASP 545 Ca 0.14 -0.10 0.07 0.00 -0.62 0.00 0.00 57.03 56.53 2qr9 h ASP 545 Cb 0.66 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 2qr9 h ASP 545 CO 0.05 0.58 0.24 0.00 -3.12 0.00 0.00 179.24 176.98 2qr9 h ALA 546 N 1.48 2.00 -0.00 3.45 0.00 -1.43 0.45 119.26 125.21 2qr9 h ALA 546 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2qr9 h ALA 546 Cb 0.36 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2qr9 h ALA 546 CO 0.01 -0.37 -0.35 0.72 0.00 0.00 0.00 179.25 179.26 2qr9 n HIS 547 N -4.00 0.00 -3.80 0.00 8.25 -0.84 -4.97 115.22 109.85 2qr9 n HIS 547 Ca 0.03 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.26 2qr9 n HIS 547 Cb 0.38 -0.30 0.01 0.00 1.12 0.00 0.00 29.99 31.21 2qr9 n HIS 547 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2qr9 n ARG 548 N -1.42 -4.15 -1.61 -0.41 1.74 0.15 -4.90 116.66 106.06 2qr9 n ARG 548 Ca 0.07 0.53 -0.32 0.00 -0.77 0.00 0.00 57.85 57.36 2qr9 n ARG 548 Cb 0.33 -4.89 0.06 0.00 -1.02 0.00 0.00 32.46 26.94 2qr9 n ARG 548 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2qr9 s LEU 549 N -6.78 3.25 0.00 0.55 2.01 -1.26 -5.13 118.68 111.32 2qr9 s LEU 549 Ca 0.01 1.87 0.00 0.00 0.01 0.00 0.00 54.13 56.02 2qr9 s LEU 549 Cb -0.00 -4.53 0.00 0.00 0.01 0.00 0.00 46.19 41.66 2qr9 s LEU 549 CO 0.84 -1.68 0.00 1.41 1.01 0.00 0.00 176.35 177.93