#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qa8 n LEU 306 N 0.00 0.31 0.27 -3.43 7.99 -1.26 -2.54 117.00 118.34 2qa8 n LEU 306 Ca 0.00 0.18 0.16 0.00 -0.01 0.00 0.00 56.01 56.34 2qa8 n LEU 306 Cb 0.00 -0.31 0.68 0.00 -0.11 0.00 0.00 43.42 43.68 2qa8 n LEU 306 CO 0.00 0.07 0.97 0.00 -1.51 0.00 0.00 177.39 176.91 2qa8 h ALA 307 N 3.22 1.04 -0.08 -1.18 0.00 -1.99 -2.93 119.26 117.33 2qa8 h ALA 307 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qa8 h ALA 307 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2qa8 h ALA 307 CO 0.00 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.61 2qa8 n LEU 308 N -3.22 0.49 -0.00 0.00 4.77 -1.05 -3.41 117.00 114.57 2qa8 n LEU 308 Ca -0.00 -0.24 0.03 0.00 -0.03 0.00 0.00 56.01 55.77 2qa8 n LEU 308 Cb 0.31 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 2qa8 n LEU 308 CO 0.28 0.12 -0.48 -1.20 -1.33 0.00 0.00 177.39 174.78 2qa8 n SER 309 N -0.27 3.03 -4.78 -1.43 7.64 -1.11 -5.03 113.62 111.68 2qa8 n SER 309 Ca 0.05 -0.11 -0.41 0.00 1.01 0.00 0.00 58.87 59.41 2qa8 n SER 309 Cb 0.09 1.24 -0.00 0.00 -1.01 0.00 0.00 64.21 64.52 2qa8 n SER 309 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qa8 s LEU 310 N -3.24 4.34 1.06 -3.43 1.43 -1.22 -5.01 118.68 112.61 2qa8 s LEU 310 Ca -0.02 2.99 -0.13 0.00 -1.03 0.00 0.00 54.13 55.95 2qa8 s LEU 310 Cb 0.04 -3.66 0.22 0.00 0.03 0.00 0.00 46.19 42.82 2qa8 s LEU 310 CO 0.26 -0.83 1.08 0.42 0.23 0.00 0.00 176.35 177.51 2qa8 s THR 311 N -1.07 1.95 0.29 5.49 -4.23 -1.26 -4.82 115.64 111.99 2qa8 s THR 311 Ca 0.53 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 61.01 2qa8 s THR 311 Cb -0.46 -2.42 0.26 0.00 1.34 0.00 0.00 72.50 71.22 2qa8 s THR 311 CO 0.61 0.00 1.97 0.00 -0.54 0.00 0.00 174.62 176.66 2qa8 h ALA 312 N -2.14 1.40 -0.20 3.99 0.00 -1.95 -2.16 119.26 118.20 2qa8 h ALA 312 Ca -0.55 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.13 2qa8 h ALA 312 Cb 1.33 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 2qa8 h ALA 312 CO 0.54 0.56 -0.58 -0.44 0.00 0.00 0.00 179.25 179.33 2qa8 h ASP 313 N 1.14 0.74 -0.69 0.00 3.32 -1.96 -2.45 116.42 116.52 2qa8 h ASP 313 Ca 0.31 -0.41 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 2qa8 h ASP 313 Cb -0.13 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.18 2qa8 h ASP 313 CO -0.07 1.16 0.30 1.56 -1.72 0.00 0.00 179.24 180.46 2qa8 h GLN 314 N 0.49 1.01 0.04 3.56 4.20 -1.88 -1.75 115.11 120.78 2qa8 h GLN 314 Ca 0.00 -0.17 0.02 0.00 0.06 0.00 0.00 58.65 58.56 2qa8 h GLN 314 Cb 1.15 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.74 2qa8 h GLN 314 CO 0.12 0.82 -0.14 1.98 -0.67 0.00 0.00 178.83 180.94 2qa8 h MET 315 N 0.97 -0.25 -0.31 1.46 4.05 -1.27 0.10 114.93 119.68 2qa8 h MET 315 Ca 0.23 0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.68 2qa8 h MET 315 Cb 0.17 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.01 2qa8 h MET 315 CO -0.02 -0.16 0.18 0.28 0.23 0.00 0.00 176.91 177.42 2qa8 h VAL 316 N -0.26 1.04 -0.55 -5.77 2.07 -1.37 -0.88 116.25 110.52 2qa8 h VAL 316 Ca 0.04 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.47 2qa8 h VAL 316 Cb 0.30 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 2qa8 h VAL 316 CO -0.11 0.07 0.29 -1.28 0.02 0.00 0.00 177.57 176.56 2qa8 h SER 317 N 0.38 0.43 -0.42 0.57 0.87 -1.22 0.23 113.55 114.38 2qa8 h SER 317 Ca 0.12 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2qa8 h SER 317 Cb -0.00 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 2qa8 h SER 317 CO -0.05 0.29 0.25 0.00 -0.53 0.00 0.00 176.83 176.78 2qa8 h ALA 318 N 1.29 0.54 -0.35 6.23 0.00 -0.24 -0.62 119.26 126.11 2qa8 h ALA 318 Ca 0.24 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 2qa8 h ALA 318 Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2qa8 h ALA 318 CO -0.16 0.05 -0.40 -0.07 0.00 0.00 0.00 179.25 178.67 2qa8 h LEU 319 N 0.56 0.93 -0.69 0.00 3.38 -0.84 -2.27 115.31 116.38 2qa8 h LEU 319 Ca 0.15 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 2qa8 h LEU 319 Cb 0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2qa8 h LEU 319 CO -0.03 1.21 0.21 -0.07 0.09 0.00 0.00 178.44 179.85 2qa8 h LEU 320 N 0.71 1.01 -1.14 1.67 3.38 -0.82 -2.10 115.31 118.03 2qa8 h LEU 320 Ca 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2qa8 h LEU 320 Cb 0.98 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2qa8 h LEU 320 CO 0.09 0.95 0.35 0.44 0.09 0.00 0.00 178.44 180.37 2qa8 h ASP 321 N 1.01 0.85 0.73 -0.43 5.19 -1.00 -2.98 116.42 119.80 2qa8 h ASP 321 Ca 0.22 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 2qa8 h ASP 321 Cb 0.31 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.60 2qa8 h ASP 321 CO -0.01 0.71 0.00 0.00 -3.12 0.00 0.00 179.24 176.82 2qa8 n ALA 322 N -2.44 2.27 -1.60 3.45 0.00 -0.82 -4.91 120.51 116.47 2qa8 n ALA 322 Ca 0.07 -0.11 -0.52 0.00 0.00 0.00 0.00 53.44 52.88 2qa8 n ALA 322 Cb 0.12 -1.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.08 2qa8 n ALA 322 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qa8 n GLU 323 N -1.41 1.22 -1.59 0.00 -0.58 -1.04 -4.75 120.64 112.50 2qa8 n GLU 323 Ca 0.09 0.44 -0.31 0.00 -0.42 0.00 0.00 57.16 56.96 2qa8 n GLU 323 Cb 0.27 -2.09 0.06 0.00 -0.57 0.00 0.00 31.44 29.10 2qa8 n GLU 323 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 2qa8 s PRO 324 N 0.61 2.77 0.80 3.49 0.02 -1.26 -5.04 135.00 136.38 2qa8 s PRO 324 Ca 0.84 0.86 -0.12 0.00 0.02 0.00 0.00 61.00 62.61 2qa8 s PRO 324 Cb -0.94 -1.98 0.07 0.00 0.02 0.00 0.00 34.50 31.68 2qa8 s PRO 324 CO 0.47 -1.19 1.13 -1.25 -0.33 0.00 0.00 177.00 175.83 2qa8 s PRO 325 N -5.09 2.06 -0.08 5.54 0.04 -1.26 -5.02 135.00 131.20 2qa8 s PRO 325 Ca 0.59 0.33 -0.25 0.00 0.04 0.00 0.00 61.00 61.71 2qa8 s PRO 325 Cb -0.14 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2qa8 s PRO 325 CO 0.55 -1.57 0.79 0.42 0.04 0.00 0.00 177.00 177.23 2qa8 s ILE 326 N -3.39 4.97 0.33 0.56 1.01 -1.26 -5.05 121.20 118.38 2qa8 s ILE 326 Ca 0.61 1.61 0.05 0.00 0.00 0.00 0.00 60.65 62.93 2qa8 s ILE 326 Cb -0.12 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.21 2qa8 s ILE 326 CO 0.51 0.18 0.48 -0.76 0.00 0.00 0.00 174.94 175.35 2qa8 s LEU 327 N 1.17 4.00 -0.03 2.97 1.43 -1.26 -5.00 118.68 121.97 2qa8 s LEU 327 Ca 0.41 -0.04 -0.05 0.00 -1.03 0.00 0.00 54.13 53.43 2qa8 s LEU 327 Cb -0.18 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 43.14 2qa8 s LEU 327 CO 0.19 -0.39 0.19 -0.31 0.23 0.00 0.00 176.35 176.26 2qa8 s TYR 328 N -2.19 3.57 0.52 0.29 1.51 -1.26 -4.25 117.35 115.54 2qa8 s TYR 328 Ca 0.43 0.44 -0.03 0.00 -1.01 0.00 0.00 57.07 56.90 2qa8 s TYR 328 Cb -0.09 -1.89 0.00 0.00 -0.11 0.00 0.00 41.96 39.87 2qa8 s TYR 328 CO 0.32 0.66 0.79 -1.54 -1.11 0.00 0.00 175.55 174.67 2qa8 s SER 329 N -1.68 5.73 -0.29 2.29 1.04 -1.26 -4.97 113.70 114.56 2qa8 s SER 329 Ca 0.25 0.52 0.05 0.00 0.48 0.00 0.00 55.95 57.25 2qa8 s SER 329 Cb -0.13 -1.65 0.51 0.00 0.10 0.00 0.00 66.02 64.86 2qa8 s SER 329 CO 0.15 -0.88 1.60 -1.84 0.98 0.00 0.00 173.24 173.25 2qa8 n GLU 330 N -2.34 2.41 -1.57 4.02 0.28 -1.26 -4.97 120.64 117.22 2qa8 n GLU 330 Ca 0.03 -2.21 -0.58 0.00 -0.16 0.00 0.00 57.16 54.24 2qa8 n GLU 330 Cb 0.57 -1.91 -0.08 0.00 1.43 0.00 0.00 31.44 31.46 2qa8 n GLU 330 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 2qa8 n TYR 331 N -0.39 1.11 -4.02 -1.84 4.19 -1.26 -4.96 117.16 109.99 2qa8 n TYR 331 Ca 0.37 0.91 -0.31 0.00 3.31 0.00 0.00 57.90 62.18 2qa8 n TYR 331 Cb 1.25 -2.20 -0.16 0.00 0.49 0.00 0.00 39.34 38.72 2qa8 n TYR 331 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 2qa8 s ASP 332 N 0.69 3.47 0.11 2.98 3.68 -1.26 -5.04 116.67 121.29 2qa8 s ASP 332 Ca 0.91 -0.91 -0.28 0.00 2.13 0.00 0.00 52.55 54.40 2qa8 s ASP 332 Cb -1.19 -1.29 -0.09 0.00 -1.45 0.00 0.00 42.92 38.90 2qa8 s ASP 332 CO 0.57 -0.13 1.63 -0.65 0.13 0.00 0.00 175.17 176.72 2qa8 h PRO 333 N 7.95 -0.52 -4.13 4.34 0.11 -2.00 -3.09 132.00 134.66 2qa8 h PRO 333 Ca -0.29 0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.78 2qa8 h PRO 333 Cb 1.10 0.12 0.02 0.00 0.11 0.00 0.00 31.00 32.34 2qa8 h PRO 333 CO 0.49 -0.35 0.97 -2.37 -0.21 0.00 0.00 178.00 176.54 2qa8 n THR 334 N -5.40 0.00 0.00 -1.15 5.66 -1.26 -3.98 114.28 108.14 2qa8 n THR 334 Ca -0.07 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 60.92 2qa8 n THR 334 Cb 0.31 -1.44 0.00 0.00 -1.55 0.00 0.00 70.33 67.65 2qa8 n THR 334 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2qa8 n ARG 335 N 5.18 0.00 -1.08 1.09 0.63 -1.17 -5.16 116.66 116.15 2qa8 n ARG 335 Ca 0.06 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.64 2qa8 n ARG 335 Cb 0.05 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 32.96 2qa8 n ARG 335 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 2qa8 n PRO 336 N 0.00 0.00 -1.94 -0.14 -0.01 -1.26 -4.78 135.00 126.88 2qa8 n PRO 336 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 63.50 63.08 2qa8 n PRO 336 Cb 0.00 -0.82 -0.03 0.00 -0.01 0.00 0.00 33.50 32.64 2qa8 n PRO 336 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 175.50 175.43 2qa8 s PHE 337 N -1.33 1.65 0.60 6.00 2.99 -1.26 -4.92 117.98 121.71 2qa8 s PHE 337 Ca 0.49 0.77 0.07 0.00 0.00 0.00 0.00 56.93 58.26 2qa8 s PHE 337 Cb -0.55 -4.05 0.09 0.00 0.00 0.00 0.00 43.02 38.52 2qa8 s PHE 337 CO 0.51 -2.77 0.83 -1.54 -0.00 0.00 0.00 175.22 172.25 2qa8 s SER 338 N 7.49 4.94 0.16 1.36 1.04 -1.26 -4.96 113.70 122.47 2qa8 s SER 338 Ca 0.79 -0.72 -0.11 0.00 0.48 0.00 0.00 55.95 56.38 2qa8 s SER 338 Cb -0.19 0.20 0.04 0.00 0.10 0.00 0.00 66.02 66.17 2qa8 s SER 338 CO 0.29 -1.45 1.63 -0.08 0.98 0.00 0.00 173.24 174.61 2qa8 h GLU 339 N 0.03 0.95 -0.10 4.02 4.81 -1.95 -2.56 114.58 119.78 2qa8 h GLU 339 Ca -0.32 -0.29 -0.03 0.00 -0.13 0.00 0.00 59.36 58.60 2qa8 h GLU 339 Cb 1.28 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 2qa8 h GLU 339 CO 0.41 0.94 -0.04 0.00 -0.73 0.00 0.00 179.01 179.59 2qa8 h ALA 340 N 0.97 0.14 -0.67 2.92 0.00 -1.91 -1.95 119.26 118.75 2qa8 h ALA 340 Ca 0.16 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2qa8 h ALA 340 Cb 0.50 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2qa8 h ALA 340 CO 0.02 -0.11 0.32 0.66 0.00 0.00 0.00 179.25 180.15 2qa8 h SER 341 N -0.15 0.88 -0.07 0.00 4.64 -1.89 0.46 113.55 117.41 2qa8 h SER 341 Ca 0.02 -0.13 -0.15 0.00 -0.47 0.00 0.00 61.79 61.06 2qa8 h SER 341 Cb 0.48 -0.23 0.01 0.00 -0.31 0.00 0.00 62.40 62.35 2qa8 h SER 341 CO 0.01 0.76 -0.54 -0.03 -0.87 0.00 0.00 176.83 176.17 2qa8 h MET 342 N 0.93 0.48 -0.94 4.77 1.85 -1.52 0.22 114.93 120.72 2qa8 h MET 342 Ca 0.23 -0.43 0.09 0.00 -0.61 0.00 0.00 59.70 58.98 2qa8 h MET 342 Cb 0.12 0.10 -0.07 0.00 0.43 0.00 0.00 31.60 32.18 2qa8 h MET 342 CO -0.03 1.07 0.60 1.98 -0.40 0.00 0.00 176.91 180.14 2qa8 h MET 343 N 0.04 0.95 -0.01 0.39 -1.53 -1.32 -0.08 114.93 113.36 2qa8 h MET 343 Ca -0.05 -0.06 -0.00 0.00 -3.44 0.00 0.00 59.70 56.15 2qa8 h MET 343 Cb 1.21 -0.21 -0.00 0.00 -0.55 0.00 0.00 31.60 32.04 2qa8 h MET 343 CO 0.11 0.63 0.01 0.78 0.14 0.00 0.00 176.91 178.58 2qa8 h GLY 344 N 0.98 0.02 0.90 1.39 0.00 0.14 -1.99 103.07 104.52 2qa8 h GLY 344 Ca 0.43 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.76 2qa8 h GLY 344 CO -0.19 0.01 -0.02 1.41 0.00 0.00 0.00 176.54 177.74 2qa8 h LEU 345 N -0.05 -0.07 -0.49 3.11 3.38 0.00 -0.60 115.31 120.59 2qa8 h LEU 345 Ca 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2qa8 h LEU 345 Cb 0.07 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2qa8 h LEU 345 CO -0.00 -0.03 0.25 -0.07 0.09 0.00 0.00 178.44 178.67 2qa8 h LEU 346 N -0.03 0.63 -0.29 1.67 3.38 -1.03 -1.82 115.31 117.83 2qa8 h LEU 346 Ca 0.02 -0.12 -0.20 0.00 0.09 0.00 0.00 57.88 57.67 2qa8 h LEU 346 Cb 0.06 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2qa8 h LEU 346 CO -0.05 0.57 -0.83 0.71 0.09 0.00 0.00 178.44 178.93 2qa8 h THR 347 N 0.65 1.40 -0.36 0.22 1.35 -1.29 -1.41 112.91 113.47 2qa8 h THR 347 Ca 0.17 -2.31 0.04 0.00 -0.55 0.00 0.00 66.41 63.76 2qa8 h THR 347 Cb 0.09 2.27 -0.04 0.00 -1.73 0.00 0.00 68.15 68.75 2qa8 h THR 347 CO -0.02 0.69 0.15 -1.13 -0.25 0.00 0.00 175.52 174.95 2qa8 h ASN 348 N 0.25 0.19 -0.45 5.36 -1.24 -1.05 -1.12 115.58 117.51 2qa8 h ASN 348 Ca -0.05 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 56.97 2qa8 h ASN 348 Cb 1.44 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.47 2qa8 h ASN 348 CO 0.14 0.14 0.21 0.25 -1.29 0.00 0.00 177.43 176.89 2qa8 h LEU 349 N 0.31 0.59 -0.31 0.34 5.85 -1.17 -2.39 115.31 118.54 2qa8 h LEU 349 Ca 0.16 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.76 2qa8 h LEU 349 Cb 0.11 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2qa8 h LEU 349 CO -0.14 0.56 0.17 0.00 -0.34 0.00 0.00 178.44 178.69 2qa8 h ALA 350 N 1.06 0.38 -0.55 1.25 0.00 -1.08 -1.51 119.26 118.82 2qa8 h ALA 350 Ca 0.15 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.16 2qa8 h ALA 350 Cb 0.13 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 17.73 2qa8 h ALA 350 CO -0.02 -0.20 -0.30 -0.44 0.00 0.00 0.00 179.25 178.30 2qa8 h ASP 351 N 0.36 -1.03 -0.16 0.00 3.32 -0.99 -0.08 116.42 117.84 2qa8 h ASP 351 Ca 0.12 0.21 -0.11 0.00 0.02 0.00 0.00 57.03 57.27 2qa8 h ASP 351 Cb 0.01 0.52 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 2qa8 h ASP 351 CO -0.06 -0.29 -0.26 0.03 -1.72 0.00 0.00 179.24 176.94 2qa8 h ARG 352 N -0.16 0.62 -0.00 3.56 3.08 -1.16 -3.05 114.38 117.28 2qa8 h ARG 352 Ca 0.23 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 2qa8 h ARG 352 Cb 0.53 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 2qa8 h ARG 352 CO -0.64 0.82 -0.48 0.93 -1.07 0.00 0.00 179.97 179.54 2qa8 h GLU 353 N 0.54 0.00 -0.61 0.04 5.08 -0.79 -3.17 114.58 115.68 2qa8 h GLU 353 Ca 0.07 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.52 2qa8 h GLU 353 Cb 0.73 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.91 2qa8 h GLU 353 CO 0.06 0.48 0.25 -0.07 -1.00 0.00 0.00 179.01 178.73 2qa8 h LEU 354 N 0.00 0.29 -0.97 1.33 3.38 -0.91 0.99 115.31 119.42 2qa8 h LEU 354 Ca -0.00 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2qa8 h LEU 354 Cb 0.85 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 2qa8 h LEU 354 CO 0.06 0.18 0.43 0.58 0.09 0.00 0.00 178.44 179.78 2qa8 h VAL 355 N 0.46 1.25 -0.16 1.22 2.07 -1.61 -0.83 116.25 118.64 2qa8 h VAL 355 Ca 0.30 -0.64 -0.12 0.00 0.82 0.00 0.00 66.70 67.06 2qa8 h VAL 355 Cb 0.33 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2qa8 h VAL 355 CO -0.27 0.28 -0.41 0.45 0.02 0.00 0.00 177.57 177.64 2qa8 h HIS 356 N 1.16 0.44 -0.21 1.57 3.86 -1.48 -2.95 115.15 117.54 2qa8 h HIS 356 Ca 0.29 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 2qa8 h HIS 356 Cb 0.06 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 2qa8 h HIS 356 CO 0.01 0.72 0.05 1.98 0.86 0.00 0.00 177.93 181.56 2qa8 h MET 357 N 0.31 0.33 -0.68 2.45 -1.53 -0.25 -0.89 114.93 114.67 2qa8 h MET 357 Ca 0.03 -0.08 0.08 0.00 -3.44 0.00 0.00 59.70 56.29 2qa8 h MET 357 Cb 0.85 -0.04 -0.06 0.00 -0.55 0.00 0.00 31.60 31.79 2qa8 h MET 357 CO 0.07 0.45 0.36 0.82 0.14 0.00 0.00 176.91 178.75 2qa8 h ILE 358 N 0.15 0.90 -0.14 1.77 2.04 -1.09 0.12 117.51 121.26 2qa8 h ILE 358 Ca 0.07 -0.22 -0.16 0.00 1.00 0.00 0.00 64.86 65.54 2qa8 h ILE 358 Cb 0.27 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 2qa8 h ILE 358 CO 0.00 0.12 -0.60 0.78 0.00 0.00 0.00 178.15 178.45 2qa8 h ASN 359 N 0.63 0.54 -0.50 1.72 2.35 -1.44 -3.02 115.58 115.87 2qa8 h ASN 359 Ca 0.32 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2qa8 h ASN 359 Cb 0.28 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 2qa8 h ASN 359 CO -0.23 1.01 0.26 -0.25 -1.65 0.00 0.00 177.43 176.57 2qa8 h TRP 360 N 0.36 0.70 -0.34 1.19 7.01 -0.50 -2.99 115.95 121.39 2qa8 h TRP 360 Ca -0.00 -0.03 0.07 0.00 2.11 0.00 0.00 58.89 61.04 2qa8 h TRP 360 Cb 1.14 -0.22 -0.07 0.00 -2.10 0.00 0.00 29.16 27.91 2qa8 h TRP 360 CO 0.04 0.54 -0.15 0.00 -2.79 0.00 0.00 178.44 176.09 2qa8 h ALA 361 N 1.10 0.13 -0.04 2.65 0.00 -0.96 0.18 119.26 122.32 2qa8 h ALA 361 Ca 0.17 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2qa8 h ALA 361 Cb 0.09 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2qa8 h ALA 361 CO -0.02 -0.53 0.44 0.87 0.00 0.00 0.00 179.25 180.01 2qa8 h LYS 362 N -0.09 0.00 -0.02 0.00 1.57 -1.39 0.63 116.57 117.27 2qa8 h LYS 362 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2qa8 h LYS 362 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2qa8 h LYS 362 CO -0.39 0.00 -0.10 0.54 -0.57 0.00 0.00 179.45 178.92 2qa8 n ARG 363 N -2.90 1.84 -2.47 3.15 1.74 0.61 -4.55 116.66 114.08 2qa8 n ARG 363 Ca -0.01 -1.58 -0.43 0.00 -0.77 0.00 0.00 57.85 55.07 2qa8 n ARG 363 Cb 0.49 -1.41 -0.02 0.00 -1.02 0.00 0.00 32.46 30.50 2qa8 n ARG 363 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qa8 s VAL 364 N -1.92 4.33 0.03 1.55 1.01 0.22 -4.84 120.40 120.78 2qa8 s VAL 364 Ca 0.23 1.59 -0.36 0.00 0.00 0.00 0.00 61.98 63.44 2qa8 s VAL 364 Cb 0.18 -4.10 -0.15 0.00 0.00 0.00 0.00 36.38 32.30 2qa8 s VAL 364 CO 0.33 -0.23 1.50 -2.65 0.00 0.00 0.00 175.10 174.06 2qa8 n PRO 365 N 6.71 1.46 0.00 2.72 -0.02 -1.26 -1.36 135.00 143.25 2qa8 n PRO 365 Ca 0.14 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2qa8 n PRO 365 Cb 0.45 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2qa8 n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qa8 n GLY 366 N 3.15 2.76 0.29 -1.23 0.00 -1.26 -4.94 105.19 103.97 2qa8 n GLY 366 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 2qa8 n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2qa8 h PHE 367 N 0.00 1.16 0.00 1.61 3.57 -1.51 -3.01 116.94 118.77 2qa8 h PHE 367 Ca 0.00 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.23 2qa8 h PHE 367 Cb 0.00 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.46 2qa8 h PHE 367 CO 0.00 1.10 0.00 1.33 -2.23 0.00 0.00 178.31 178.51 2qa8 n VAL 368 N -4.12 0.63 0.41 1.41 0.24 -1.26 -2.64 118.33 112.99 2qa8 n VAL 368 Ca 0.01 -0.04 0.12 0.00 -2.04 0.00 0.00 64.34 62.38 2qa8 n VAL 368 Cb 0.44 -0.80 0.48 0.00 -1.47 0.00 0.00 33.84 32.50 2qa8 n VAL 368 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2qa8 n ASP 369 N -2.10 0.62 -4.89 -1.34 8.00 -1.13 -4.75 116.55 110.96 2qa8 n ASP 369 Ca 0.04 0.65 -0.29 0.00 0.71 0.00 0.00 54.79 55.91 2qa8 n ASP 369 Cb 0.33 -0.78 -0.01 0.00 -0.02 0.00 0.00 41.12 40.64 2qa8 n ASP 369 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2qa8 s LEU 370 N -4.37 3.66 0.64 0.64 1.43 -1.08 -5.05 118.68 114.54 2qa8 s LEU 370 Ca 0.05 1.07 -0.15 0.00 -1.03 0.00 0.00 54.13 54.06 2qa8 s LEU 370 Cb 0.09 -4.01 -0.01 0.00 0.03 0.00 0.00 46.19 42.30 2qa8 s LEU 370 CO 0.39 -0.55 1.09 0.42 0.23 0.00 0.00 176.35 177.93 2qa8 s THR 371 N -2.66 3.44 0.36 5.49 -4.23 -1.26 -4.78 115.64 112.00 2qa8 s THR 371 Ca 0.50 0.67 0.13 0.00 -1.18 0.00 0.00 61.69 61.81 2qa8 s THR 371 Cb -0.10 -3.20 0.35 0.00 1.34 0.00 0.00 72.50 70.89 2qa8 s THR 371 CO 0.41 -0.41 1.79 0.25 -0.54 0.00 0.00 174.62 176.12 2qa8 h LEU 372 N 0.16 0.58 -0.86 4.79 5.85 -1.96 -0.45 115.31 123.43 2qa8 h LEU 372 Ca -0.47 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.28 2qa8 h LEU 372 Cb 1.24 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 2qa8 h LEU 372 CO 0.55 0.18 0.24 -0.74 -0.34 0.00 0.00 178.44 178.34 2qa8 h HIS 373 N 0.56 1.11 -0.14 1.25 2.76 -1.99 -0.56 115.15 118.14 2qa8 h HIS 373 Ca 0.56 -0.10 -0.19 0.00 -2.20 0.00 0.00 60.37 58.44 2qa8 h HIS 373 Cb 1.16 -0.33 0.01 0.00 1.55 0.00 0.00 27.41 29.80 2qa8 h HIS 373 CO -0.00 0.87 -0.65 -0.44 -1.30 0.00 0.00 177.93 176.41 2qa8 h ASP 374 N 1.05 0.81 -0.32 3.26 3.32 -1.47 -2.10 116.42 120.96 2qa8 h ASP 374 Ca 0.23 -0.63 0.05 0.00 0.02 0.00 0.00 57.03 56.70 2qa8 h ASP 374 Cb 0.27 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 2qa8 h ASP 374 CO -0.01 1.31 0.05 1.56 -1.72 0.00 0.00 179.24 180.42 2qa8 h GLN 375 N 0.36 0.15 -0.18 3.56 4.20 -1.20 -1.01 115.11 121.00 2qa8 h GLN 375 Ca -0.04 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.69 2qa8 h GLN 375 Cb 1.28 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.00 2qa8 h GLN 375 CO 0.13 0.10 -0.04 0.28 -0.67 0.00 0.00 178.83 178.64 2qa8 h VAL 376 N 0.16 0.82 -0.94 -0.54 2.07 -1.06 -2.55 116.25 114.22 2qa8 h VAL 376 Ca 0.15 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.70 2qa8 h VAL 376 Cb 0.17 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 2qa8 h VAL 376 CO -0.21 0.00 0.61 -0.74 0.02 0.00 0.00 177.57 177.25 2qa8 h HIS 377 N 0.01 1.14 -0.39 1.57 -0.00 -0.97 -1.19 115.15 115.31 2qa8 h HIS 377 Ca 0.09 0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 60.37 2qa8 h HIS 377 Cb 0.13 -0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 27.15 2qa8 h HIS 377 CO -0.20 0.66 -0.22 -0.07 -0.00 0.00 0.00 177.93 178.10 2qa8 h LEU 378 N 1.18 0.87 -0.44 0.26 3.38 -0.90 -3.09 115.31 116.57 2qa8 h LEU 378 Ca 0.37 -0.41 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 2qa8 h LEU 378 Cb 0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2qa8 h LEU 378 CO -0.12 1.09 -0.45 -0.07 0.09 0.00 0.00 178.44 178.98 2qa8 h LEU 379 N 0.65 0.87 -0.89 1.67 3.38 -1.29 0.57 115.31 120.27 2qa8 h LEU 379 Ca 0.08 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2qa8 h LEU 379 Cb 0.78 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2qa8 h LEU 379 CO 0.06 1.19 0.00 -0.62 0.09 0.00 0.00 178.44 179.16 2qa8 n GLU 380 N -4.03 0.00 0.00 1.13 1.02 -0.47 -0.96 120.64 117.34 2qa8 n GLU 380 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2qa8 n GLU 380 Cb 0.57 -0.93 0.00 0.00 -0.02 0.00 0.00 31.44 31.05 2qa8 n GLU 380 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qa8 n ALA 382 N 0.33 0.00 -0.18 0.62 0.00 0.19 -4.85 120.51 116.61 2qa8 n ALA 382 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2qa8 n ALA 382 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 2qa8 n ALA 382 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2qa8 h TRP 383 N 0.00 0.18 -0.02 0.00 5.08 -1.28 -1.41 115.95 118.51 2qa8 h TRP 383 Ca 0.00 0.03 -0.16 0.00 1.08 0.00 0.00 58.89 59.85 2qa8 h TRP 383 Cb 0.00 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.15 2qa8 h TRP 383 CO 0.00 -0.02 -0.70 1.25 -1.28 0.00 0.00 178.44 177.69 2qa8 h LEU 384 N 0.25 0.13 -0.51 0.11 5.85 -1.89 -1.64 115.31 117.61 2qa8 h LEU 384 Ca 0.28 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.96 2qa8 h LEU 384 Cb 0.40 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 2qa8 h LEU 384 CO -0.37 0.79 0.26 -0.33 -0.34 0.00 0.00 178.44 178.45 2qa8 h GLU 385 N 0.08 0.48 0.10 1.25 5.08 -1.60 0.17 114.58 120.13 2qa8 h GLU 385 Ca -0.01 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2qa8 h GLU 385 Cb 1.24 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2qa8 h GLU 385 CO 0.10 0.32 -0.05 0.82 -1.00 0.00 0.00 179.01 179.20 2qa8 h ILE 386 N 0.50 1.03 -0.70 3.13 2.04 -1.10 0.43 117.51 122.84 2qa8 h ILE 386 Ca 0.23 -0.47 0.08 0.00 1.00 0.00 0.00 64.86 65.70 2qa8 h ILE 386 Cb 0.14 1.33 -0.07 0.00 -0.74 0.00 0.00 36.82 37.48 2qa8 h ILE 386 CO -0.16 0.11 0.36 -0.07 0.00 0.00 0.00 178.15 178.39 2qa8 h LEU 387 N -0.34 0.49 -0.41 1.44 3.38 -1.19 -1.42 115.31 117.27 2qa8 h LEU 387 Ca -0.01 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 2qa8 h LEU 387 Cb 0.29 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2qa8 h LEU 387 CO 0.02 0.30 -0.10 0.24 0.09 0.00 0.00 178.44 178.99 2qa8 h MET 388 N 0.63 0.79 -0.20 1.13 2.86 -0.48 -0.73 114.93 118.94 2qa8 h MET 388 Ca 0.33 -0.30 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 2qa8 h MET 388 Cb 0.31 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 2qa8 h MET 388 CO -0.24 0.92 -0.25 0.97 1.06 0.00 0.00 176.91 179.37 2qa8 h ILE 389 N 0.61 1.26 0.06 -1.22 2.10 -0.74 0.20 117.51 119.77 2qa8 h ILE 389 Ca 0.10 -1.20 0.02 0.00 1.08 0.00 0.00 64.86 64.86 2qa8 h ILE 389 Cb 0.62 1.38 -0.03 0.00 -1.09 0.00 0.00 36.82 37.71 2qa8 h ILE 389 CO 0.04 0.38 -0.16 1.23 -1.08 0.00 0.00 178.15 178.56 2qa8 h GLY 390 N 1.01 -0.25 0.94 8.18 0.00 -0.99 -0.92 103.07 111.04 2qa8 h GLY 390 Ca 0.05 0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.58 2qa8 h GLY 390 CO 0.04 -0.15 0.40 -2.00 0.00 0.00 0.00 176.54 174.83 2qa8 h LEU 391 N -0.29 0.67 -0.38 3.11 7.12 -0.63 -1.63 115.31 123.29 2qa8 h LEU 391 Ca 0.03 -0.01 -0.03 0.00 0.13 0.00 0.00 57.88 58.01 2qa8 h LEU 391 Cb 0.32 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 40.28 2qa8 h LEU 391 CO -0.11 0.48 0.12 0.58 -0.13 0.00 0.00 178.44 179.38 2qa8 h VAL 392 N 0.80 1.21 0.59 1.05 2.07 -0.75 -1.10 116.25 120.13 2qa8 h VAL 392 Ca 0.24 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 2qa8 h VAL 392 Cb -0.04 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2qa8 h VAL 392 CO -0.08 0.24 -0.37 -0.25 0.02 0.00 0.00 177.57 177.13 2qa8 h TRP 393 N 0.46 -0.99 -0.72 1.57 2.91 -0.92 -1.79 115.95 116.47 2qa8 h TRP 393 Ca 0.12 -0.01 0.21 0.00 1.13 0.00 0.00 58.89 60.34 2qa8 h TRP 393 Cb 0.25 0.35 -0.03 0.00 -0.51 0.00 0.00 29.16 29.23 2qa8 h TRP 393 CO 0.01 -0.56 0.54 0.00 -1.03 0.00 0.00 178.44 177.40 2qa8 h ARG 394 N -0.91 0.00 -0.01 2.65 3.08 -1.23 -1.83 114.38 116.13 2qa8 h ARG 394 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2qa8 h ARG 394 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 2qa8 h ARG 394 CO 0.07 0.00 -0.08 0.43 -1.07 0.00 0.00 179.97 179.31 2qa8 n SER 395 N -4.21 0.85 -0.31 7.04 7.64 -0.42 -4.42 113.62 119.79 2qa8 n SER 395 Ca 0.14 -1.02 -0.01 0.00 1.01 0.00 0.00 58.87 58.99 2qa8 n SER 395 Cb 0.81 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 64.12 2qa8 n SER 395 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2qa8 h MET 396 N 1.21 1.01 -0.11 1.43 2.86 -1.05 -1.71 114.93 118.58 2qa8 h MET 396 Ca 0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2qa8 h MET 396 Cb 0.38 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2qa8 h MET 396 CO 0.00 0.67 0.00 -0.85 1.06 0.00 0.00 176.91 177.79 2qa8 n GLU 397 N -4.57 1.44 -3.57 1.72 0.28 -1.26 -4.36 120.64 110.33 2qa8 n GLU 397 Ca 0.11 -0.66 -0.27 0.00 -0.16 0.00 0.00 57.16 56.17 2qa8 n GLU 397 Cb 0.10 -1.33 -0.09 0.00 1.43 0.00 0.00 31.44 31.54 2qa8 n GLU 397 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2qa8 n HIS 398 N -0.10 3.50 -1.64 -1.84 8.25 -0.64 -5.08 115.22 117.66 2qa8 n HIS 398 Ca 0.14 -4.20 -0.57 0.00 -0.26 0.00 0.00 57.72 52.83 2qa8 n HIS 398 Cb 0.22 -0.58 -0.07 0.00 1.12 0.00 0.00 29.99 30.68 2qa8 n HIS 398 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2qa8 n PRO 399 N 1.19 0.81 -0.87 -0.41 -0.02 -1.26 -1.22 135.00 133.22 2qa8 n PRO 399 Ca 0.27 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 2qa8 n PRO 399 Cb 0.39 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 2qa8 n PRO 399 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qa8 n GLY 400 N 3.19 0.77 3.08 -1.23 0.00 -1.26 -5.02 105.19 104.72 2qa8 n GLY 400 Ca 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 2qa8 n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qa8 s LYS 401 N -0.13 0.58 -0.22 1.61 1.02 -0.36 -4.22 119.74 118.02 2qa8 s LYS 401 Ca 0.00 -0.83 -0.05 0.00 0.02 0.00 0.00 55.97 55.12 2qa8 s LYS 401 Cb 0.00 -0.33 -0.02 0.00 -0.52 0.00 0.00 37.83 36.97 2qa8 s LYS 401 CO 0.00 0.05 -0.02 -0.51 -0.92 0.00 0.00 175.35 173.96 2qa8 s LEU 402 N -1.72 3.05 -1.15 3.17 1.43 0.14 -4.80 118.68 118.79 2qa8 s LEU 402 Ca -0.07 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 2qa8 s LEU 402 Cb -0.09 -1.78 0.23 0.00 0.03 0.00 0.00 46.19 44.58 2qa8 s LEU 402 CO 0.00 0.00 1.25 -0.22 0.23 0.00 0.00 176.35 177.61 2qa8 s LEU 403 N 1.36 5.78 0.21 1.79 0.20 -1.26 -0.35 118.68 126.41 2qa8 s LEU 403 Ca 0.04 -3.32 -0.10 0.00 0.69 0.00 0.00 54.13 51.45 2qa8 s LEU 403 Cb -0.14 -2.29 0.19 0.00 -0.43 0.00 0.00 46.19 43.51 2qa8 s LEU 403 CO -0.01 -0.50 1.87 -0.26 -0.29 0.00 0.00 176.35 177.17 2qa8 h PHE 404 N 6.90 0.92 -3.72 5.38 0.04 -1.74 -3.43 116.94 121.29 2qa8 h PHE 404 Ca 0.24 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.95 2qa8 h PHE 404 Cb 0.88 -0.31 -0.11 0.00 2.20 0.00 0.00 35.95 38.60 2qa8 h PHE 404 CO 0.91 0.56 -0.21 0.00 -0.60 0.00 0.00 178.31 178.97 2qa8 s ALA 405 N -6.12 -0.23 0.55 2.45 0.00 -1.13 -4.89 121.76 112.38 2qa8 s ALA 405 Ca -0.13 -0.75 0.28 0.00 0.00 0.00 0.00 51.96 51.37 2qa8 s ALA 405 Cb 0.15 0.90 1.46 0.00 0.00 0.00 0.00 23.12 25.63 2qa8 s ALA 405 CO 0.78 -0.72 1.95 -1.35 0.00 0.00 0.00 175.76 176.42 2qa8 h PRO 406 N 2.42 0.00 -0.40 0.00 0.11 -1.87 0.04 132.00 132.30 2qa8 h PRO 406 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2qa8 h PRO 406 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2qa8 h PRO 406 CO 0.44 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.50 2qa8 n ASN 407 N -4.15 3.72 -3.38 -2.05 6.94 -1.26 -4.67 115.26 110.40 2qa8 n ASN 407 Ca 0.11 -2.45 -0.27 0.00 -0.02 0.00 0.00 54.58 51.96 2qa8 n ASN 407 Cb 0.70 -0.42 -0.10 0.00 -2.36 0.00 0.00 39.78 37.60 2qa8 n ASN 407 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 2qa8 n LEU 408 N 0.34 -0.36 -4.41 -4.53 7.94 0.00 -4.85 117.00 111.14 2qa8 n LEU 408 Ca 0.18 -4.42 -0.42 0.00 -1.11 0.00 0.00 56.01 50.25 2qa8 n LEU 408 Cb 0.70 0.53 -0.10 0.00 0.53 0.00 0.00 43.42 45.07 2qa8 n LEU 408 CO 0.14 1.88 -0.11 -0.22 -1.11 0.00 0.00 177.39 177.97 2qa8 s LEU 409 N -0.09 4.96 0.05 -1.96 2.96 -1.25 -1.95 118.68 121.39 2qa8 s LEU 409 Ca 0.33 -0.99 0.04 0.00 -0.22 0.00 0.00 54.13 53.28 2qa8 s LEU 409 Cb 0.05 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 2qa8 s LEU 409 CO -0.19 -0.43 -0.01 -0.76 -1.32 0.00 0.00 176.35 173.63 2qa8 s LEU 410 N 1.61 3.42 0.00 -0.68 1.43 0.53 -4.93 118.68 120.06 2qa8 s LEU 410 Ca 0.03 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 2qa8 s LEU 410 Cb -0.19 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 43.99 2qa8 s LEU 410 CO 0.08 0.23 0.21 -0.90 0.23 0.00 0.00 176.35 176.20 2qa8 n ASP 411 N 1.00 2.37 0.28 2.29 3.85 -1.26 0.25 116.55 125.33 2qa8 n ASP 411 Ca -0.13 -2.33 0.15 0.00 -0.71 0.00 0.00 54.79 51.77 2qa8 n ASP 411 Cb 0.52 0.04 0.85 0.00 -1.35 0.00 0.00 41.12 41.18 2qa8 n ASP 411 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.20 176.27 2qa8 h ARG 412 N 0.00 0.00 -0.33 0.11 0.11 -1.96 -2.62 114.38 109.69 2qa8 h ARG 412 Ca -0.25 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.78 2qa8 h ARG 412 Cb 0.86 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.92 2qa8 h ARG 412 CO 0.39 0.06 -0.00 -0.91 0.10 0.00 0.00 179.97 179.61 2qa8 h ASN 413 N 0.00 0.47 0.20 0.08 2.35 -1.94 -2.91 115.58 113.84 2qa8 h ASN 413 Ca -0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 2qa8 h ASN 413 Cb 0.20 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.45 2qa8 h ASN 413 CO 0.01 0.55 -0.32 0.00 -1.65 0.00 0.00 177.43 176.02 2qa8 n GLN 414 N -4.29 0.85 0.25 0.81 10.64 -0.99 -3.04 117.38 121.61 2qa8 n GLN 414 Ca 0.01 -0.54 0.08 0.00 -1.83 0.00 0.00 57.00 54.72 2qa8 n GLN 414 Cb 0.24 -1.49 0.64 0.00 -0.86 0.00 0.00 30.24 28.77 2qa8 n GLN 414 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 2qa8 h GLY 415 N 4.92 0.00 2.00 2.61 0.00 -1.54 -2.38 103.07 108.68 2qa8 h GLY 415 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2qa8 h GLY 415 CO 0.00 0.00 -0.09 0.50 0.00 0.00 0.00 176.54 176.95 2qa8 h LYS 416 N 0.00 0.00 -0.36 4.80 1.57 -1.63 -1.66 116.57 119.28 2qa8 h LYS 416 Ca -0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 2qa8 h LYS 416 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2qa8 h LYS 416 CO 0.01 0.09 0.37 0.00 -0.57 0.00 0.00 179.45 179.35 2qa8 s VAL 418 N -4.66 1.94 0.19 0.00 1.01 -0.63 -3.94 120.40 114.32 2qa8 s VAL 418 Ca -0.04 -0.93 -0.33 0.00 0.00 0.00 0.00 61.98 60.68 2qa8 s VAL 418 Cb 0.16 -1.70 -0.13 0.00 0.00 0.00 0.00 36.38 34.70 2qa8 s VAL 418 CO 0.56 0.53 1.56 -1.84 0.00 0.00 0.00 175.10 175.92 2qa8 n GLU 419 N 3.86 2.25 -0.15 2.72 0.28 -1.26 -1.59 120.64 126.75 2qa8 n GLU 419 Ca -0.20 0.81 0.00 0.00 -0.16 0.00 0.00 57.16 57.61 2qa8 n GLU 419 Cb 0.52 -2.57 0.00 0.00 1.43 0.00 0.00 31.44 30.82 2qa8 n GLU 419 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2qa8 n GLY 420 N 3.14 2.32 0.12 -1.84 0.00 -1.26 -4.84 105.19 102.83 2qa8 n GLY 420 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 2qa8 n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2qa8 h MET 421 N 1.88 0.05 -0.80 1.61 -1.53 -1.46 -3.30 114.93 111.39 2qa8 h MET 421 Ca 0.00 -0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 56.20 2qa8 h MET 421 Cb 0.00 0.01 -0.04 0.00 -0.55 0.00 0.00 31.60 31.02 2qa8 h MET 421 CO 0.00 0.76 0.45 -0.24 0.14 0.00 0.00 176.91 178.02 2qa8 h VAL 422 N 0.03 1.23 -0.34 -5.77 3.04 -1.72 -0.70 116.25 112.02 2qa8 h VAL 422 Ca -0.01 -0.56 0.02 0.00 -1.01 0.00 0.00 66.70 65.14 2qa8 h VAL 422 Cb 1.29 0.16 -0.02 0.00 -2.01 0.00 0.00 31.29 30.71 2qa8 h VAL 422 CO 0.10 0.26 0.23 -0.33 -1.01 0.00 0.00 177.57 176.81 2qa8 h GLU 423 N 1.10 0.36 -0.06 4.17 3.07 -1.94 -1.13 114.58 120.15 2qa8 h GLU 423 Ca 0.28 -0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 59.07 2qa8 h GLU 423 Cb 0.01 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 27.84 2qa8 h GLU 423 CO -0.05 0.24 -0.16 0.82 -1.40 0.00 0.00 179.01 178.46 2qa8 h ILE 424 N 0.37 1.43 -0.64 3.13 2.04 -1.33 -2.80 117.51 119.71 2qa8 h ILE 424 Ca 0.14 -1.52 0.09 0.00 1.00 0.00 0.00 64.86 64.57 2qa8 h ILE 424 Cb 0.10 2.26 -0.07 0.00 -0.74 0.00 0.00 36.82 38.37 2qa8 h ILE 424 CO -0.03 0.42 0.28 -0.26 0.00 0.00 0.00 178.15 178.56 2qa8 h PHE 425 N -0.28 0.50 -0.69 1.37 -1.00 -0.75 -1.12 116.94 114.97 2qa8 h PHE 425 Ca -0.00 0.03 0.05 0.00 2.81 0.00 0.00 57.97 60.86 2qa8 h PHE 425 Cb 0.77 -0.13 -0.05 0.00 3.61 0.00 0.00 35.95 40.15 2qa8 h PHE 425 CO 0.12 0.16 0.40 -0.44 -1.61 0.00 0.00 178.31 176.95 2qa8 h ASP 426 N 0.50 0.61 -0.30 2.17 3.32 -1.25 0.25 116.42 121.73 2qa8 h ASP 426 Ca 0.32 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.38 2qa8 h ASP 426 Cb 0.35 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2qa8 h ASP 426 CO -0.28 0.40 0.14 0.24 -1.72 0.00 0.00 179.24 178.02 2qa8 h MET 427 N 0.74 0.43 -0.56 3.56 2.86 -1.10 0.37 114.93 121.23 2qa8 h MET 427 Ca 0.30 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.90 2qa8 h MET 427 Cb 0.15 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 2qa8 h MET 427 CO -0.17 0.42 0.34 -0.07 1.06 0.00 0.00 176.91 178.49 2qa8 h LEU 428 N 0.34 0.55 -0.70 1.22 3.38 -0.83 -1.24 115.31 118.02 2qa8 h LEU 428 Ca 0.10 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2qa8 h LEU 428 Cb 0.14 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2qa8 h LEU 428 CO -0.01 0.38 0.19 -0.07 0.09 0.00 0.00 178.44 179.02 2qa8 h LEU 429 N 0.67 1.05 -0.86 1.67 3.38 -0.32 -1.01 115.31 119.89 2qa8 h LEU 429 Ca 0.23 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2qa8 h LEU 429 Cb 0.03 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2qa8 h LEU 429 CO -0.10 1.00 0.35 0.00 0.09 0.00 0.00 178.44 179.78 2qa8 h ALA 430 N 1.09 1.10 -0.31 1.53 0.00 -0.62 -1.60 119.26 120.46 2qa8 h ALA 430 Ca 0.22 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 2qa8 h ALA 430 Cb 0.34 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2qa8 h ALA 430 CO -0.00 0.66 -0.39 1.15 0.00 0.00 0.00 179.25 180.66 2qa8 h THR 431 N 1.16 1.29 -0.92 0.00 2.02 -0.93 -2.05 112.91 113.47 2qa8 h THR 431 Ca 0.27 -1.57 0.02 0.00 0.77 0.00 0.00 66.41 65.91 2qa8 h THR 431 Cb 0.17 1.47 -0.05 0.00 -1.74 0.00 0.00 68.15 68.00 2qa8 h THR 431 CO -0.03 0.51 0.60 -1.28 0.37 0.00 0.00 175.52 175.70 2qa8 h SER 432 N 0.61 1.03 -0.39 4.18 0.87 -0.90 -1.06 113.55 117.88 2qa8 h SER 432 Ca 0.05 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.51 2qa8 h SER 432 Cb 0.94 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.64 2qa8 h SER 432 CO 0.09 0.72 -0.05 0.28 -0.53 0.00 0.00 176.83 177.34 2qa8 h SER 433 N 1.20 0.78 0.29 6.23 0.02 -1.06 -1.52 113.55 119.48 2qa8 h SER 433 Ca 0.35 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2qa8 h SER 433 Cb -0.07 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.27 2qa8 h SER 433 CO -0.10 0.87 -0.14 -0.09 -1.14 0.00 0.00 176.83 176.24 2qa8 h ARG 434 N 0.74 -0.37 -0.65 3.45 9.65 -0.82 0.39 114.38 126.77 2qa8 h ARG 434 Ca 0.14 0.03 0.14 0.00 -1.10 0.00 0.00 59.98 59.18 2qa8 h ARG 434 Cb 0.52 0.08 -0.11 0.00 -1.39 0.00 0.00 29.97 29.07 2qa8 h ARG 434 CO 0.03 -0.14 -0.03 0.74 2.80 0.00 0.00 179.97 183.37 2qa8 h PHE 435 N -0.53 -0.10 0.16 2.20 -1.00 -1.10 -0.76 116.94 115.81 2qa8 h PHE 435 Ca -0.04 0.05 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 2qa8 h PHE 435 Cb 0.39 0.14 0.00 0.00 3.61 0.00 0.00 35.95 40.10 2qa8 h PHE 435 CO -0.02 -0.20 -0.08 -0.09 -1.61 0.00 0.00 178.31 176.32 2qa8 h ARG 436 N 0.09 -0.21 -0.58 1.51 2.43 -0.86 0.54 114.38 117.31 2qa8 h ARG 436 Ca 0.34 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.64 2qa8 h ARG 436 Cb 0.56 0.05 -0.11 0.00 -0.42 0.00 0.00 29.97 30.04 2qa8 h ARG 436 CO -0.58 -0.03 -0.16 0.52 -1.51 0.00 0.00 179.97 178.21 2qa8 h MET 437 N -0.34 -0.01 0.00 0.20 2.86 0.34 -0.62 114.93 117.35 2qa8 h MET 437 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2qa8 h MET 437 Cb 0.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.93 2qa8 h MET 437 CO 0.04 -0.01 0.00 -1.33 1.06 0.00 0.00 176.91 176.67 2qa8 n MET 438 N -5.41 0.26 -3.69 1.72 2.81 -0.34 -4.93 117.12 107.53 2qa8 n MET 438 Ca 0.06 0.04 -0.23 0.00 -1.81 0.00 0.00 57.70 55.76 2qa8 n MET 438 Cb 0.31 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.35 2qa8 n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2qa8 n ASN 439 N -1.35 -2.14 -4.64 7.83 5.15 0.08 -4.87 115.26 115.32 2qa8 n ASN 439 Ca 0.11 -0.87 -0.49 0.00 -0.60 0.00 0.00 54.58 52.73 2qa8 n ASN 439 Cb 0.24 -3.91 -0.05 0.00 -0.53 0.00 0.00 39.78 35.53 2qa8 n ASN 439 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 2qa8 n LEU 440 N -4.19 2.45 -4.93 1.20 7.94 -0.62 -5.00 117.00 113.85 2qa8 n LEU 440 Ca -0.25 1.09 -0.26 0.00 -1.11 0.00 0.00 56.01 55.48 2qa8 n LEU 440 Cb 0.66 -1.31 -0.03 0.00 0.53 0.00 0.00 43.42 43.27 2qa8 n LEU 440 CO 0.68 -0.61 0.02 -1.10 -1.11 0.00 0.00 177.39 175.27 2qa8 s GLN 441 N 0.98 3.50 0.28 1.96 -1.52 -1.26 -4.97 119.66 118.63 2qa8 s GLN 441 Ca 0.83 -0.41 0.00 0.00 -1.95 0.00 0.00 55.36 53.83 2qa8 s GLN 441 Cb -0.82 -2.84 0.51 0.00 -0.22 0.00 0.00 33.01 29.64 2qa8 s GLN 441 CO 0.43 0.40 1.87 0.78 -0.25 0.00 0.00 175.29 178.52 2qa8 h GLY 442 N 1.84 1.53 1.22 3.09 0.00 -1.99 0.10 103.07 108.86 2qa8 h GLY 442 Ca -0.49 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.34 2qa8 h GLY 442 CO 0.67 0.25 0.13 0.83 0.00 0.00 0.00 176.54 178.41 2qa8 h GLU 443 N 1.05 0.97 -0.25 4.80 3.07 -1.98 -1.62 114.58 120.63 2qa8 h GLU 443 Ca 0.45 -0.23 -0.06 0.00 -0.50 0.00 0.00 59.36 59.03 2qa8 h GLU 443 Cb 0.34 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 2qa8 h GLU 443 CO -0.21 0.88 -0.09 0.93 -1.40 0.00 0.00 179.01 179.12 2qa8 h GLU 444 N 0.93 0.49 -0.50 2.33 5.08 -1.64 -2.94 114.58 118.33 2qa8 h GLU 444 Ca 0.19 -0.20 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2qa8 h GLU 444 Cb 0.36 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 2qa8 h GLU 444 CO 0.00 0.74 0.23 0.35 -1.00 0.00 0.00 179.01 179.33 2qa8 h PHE 445 N 0.23 0.41 -0.08 4.33 3.57 -0.66 -1.06 116.94 123.68 2qa8 h PHE 445 Ca 0.06 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.49 2qa8 h PHE 445 Cb 0.58 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 2qa8 h PHE 445 CO 0.06 0.18 -0.36 -0.39 -2.23 0.00 0.00 178.31 175.57 2qa8 h VAL 446 N 0.44 1.28 -0.55 1.41 -1.51 -1.32 -1.38 116.25 114.63 2qa8 h VAL 446 Ca 0.23 -1.34 -0.05 0.00 -1.23 0.00 0.00 66.70 64.30 2qa8 h VAL 446 Cb 0.18 1.61 -0.02 0.00 -2.13 0.00 0.00 31.29 30.93 2qa8 h VAL 446 CO -0.19 0.40 0.14 0.00 -1.23 0.00 0.00 177.57 176.69 2qa8 h LEU 448 N 0.77 0.89 -0.93 0.00 3.38 -0.89 -1.05 115.31 117.49 2qa8 h LEU 448 Ca 0.17 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2qa8 h LEU 448 Cb 0.33 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2qa8 h LEU 448 CO 0.00 0.87 0.55 0.50 0.09 0.00 0.00 178.44 180.45 2qa8 h LYS 449 N 0.87 1.27 -0.30 1.13 3.64 -1.18 -1.12 116.57 120.87 2qa8 h LYS 449 Ca 0.20 -0.12 -0.12 0.00 -1.27 0.00 0.00 60.65 59.33 2qa8 h LYS 449 Cb 0.30 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2qa8 h LYS 449 CO -0.00 0.89 -0.31 0.77 -2.27 0.00 0.00 179.45 178.52 2qa8 h SER 450 N 1.28 0.67 -0.47 4.20 0.02 -1.06 -2.51 113.55 115.68 2qa8 h SER 450 Ca 0.33 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2qa8 h SER 450 Cb -0.04 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 2qa8 h SER 450 CO -0.06 0.94 0.19 0.40 -1.14 0.00 0.00 176.83 177.15 2qa8 h ILE 451 N 0.55 1.21 -0.61 3.27 2.04 -0.82 -1.96 117.51 121.19 2qa8 h ILE 451 Ca 0.06 -0.64 0.07 0.00 1.00 0.00 0.00 64.86 65.36 2qa8 h ILE 451 Cb 0.81 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.58 2qa8 h ILE 451 CO 0.07 0.24 0.28 0.40 0.00 0.00 0.00 178.15 179.14 2qa8 h ILE 452 N 0.62 0.87 -0.06 -0.67 2.04 -1.04 0.66 117.51 119.94 2qa8 h ILE 452 Ca 0.16 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 2qa8 h ILE 452 Cb 0.19 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2qa8 h ILE 452 CO -0.01 0.09 0.04 0.25 0.00 0.00 0.00 178.15 178.52 2qa8 h LEU 453 N 0.52 0.08 0.00 1.44 5.85 -1.23 -2.04 115.31 119.93 2qa8 h LEU 453 Ca 0.29 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.84 2qa8 h LEU 453 Cb 0.27 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2qa8 h LEU 453 CO -0.23 0.11 -0.69 -0.07 -0.34 0.00 0.00 178.44 177.22 2qa8 h LEU 454 N 0.04 0.00 0.10 2.25 3.38 -0.89 -3.36 115.31 116.83 2qa8 h LEU 454 Ca 0.02 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 2qa8 h LEU 454 Cb 0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.81 2qa8 h LEU 454 CO -0.00 0.48 -0.91 -1.13 0.09 0.00 0.00 178.44 176.97 2qa8 h ASN 455 N 0.00 0.34 0.00 -0.43 -1.24 0.42 -3.34 115.58 111.34 2qa8 h ASN 455 Ca -0.04 -0.90 0.00 0.00 0.71 0.00 0.00 56.30 56.07 2qa8 h ASN 455 Cb 1.39 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 40.33 2qa8 h ASN 455 CO 0.06 1.41 0.00 -1.20 -1.29 0.00 0.00 177.43 176.41 2qa8 n SER 456 N -4.15 0.00 -0.36 1.15 7.64 -0.78 -1.78 113.62 115.34 2qa8 n SER 456 Ca -0.18 -0.49 0.00 0.00 1.01 0.00 0.00 58.87 59.21 2qa8 n SER 456 Cb 0.79 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.99 2qa8 n SER 456 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qa8 n GLY 457 N -0.26 0.92 2.34 0.23 0.00 -1.26 -4.78 105.19 102.38 2qa8 n GLY 457 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2qa8 n GLY 457 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2qa8 n VAL 458 N 0.00 0.00 -3.41 1.61 3.14 -0.73 -4.86 118.33 114.07 2qa8 n VAL 458 Ca 0.00 0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 61.16 2qa8 n VAL 458 Cb 0.51 -0.57 -0.10 0.00 -1.06 0.00 0.00 33.84 32.62 2qa8 n VAL 458 CO 0.00 0.00 0.00 -0.31 -6.46 0.00 0.00 176.83 170.06 2qa8 s TYR 459 N 1.14 0.11 0.00 1.45 1.51 -1.26 -4.99 117.35 115.31 2qa8 s TYR 459 Ca 0.00 -1.09 0.00 0.00 -1.01 0.00 0.00 57.07 54.97 2qa8 s TYR 459 Cb 0.00 -0.63 0.00 0.00 -0.11 0.00 0.00 41.96 41.22 2qa8 s TYR 459 CO 0.00 -0.91 0.00 -1.91 -1.11 0.00 0.00 175.55 171.62 2qa8 n GLU 470 N 4.29 0.00 -0.11 -0.62 2.13 -1.26 -5.19 120.64 119.88 2qa8 n GLU 470 Ca 0.10 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.83 2qa8 n GLU 470 Cb 0.42 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.12 2qa8 n GLU 470 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2qa8 h GLU 471 N 0.00 0.50 -0.12 5.31 4.39 -2.01 1.44 114.58 124.09 2qa8 h GLU 471 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2qa8 h GLU 471 Cb 0.00 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 2qa8 h GLU 471 CO 0.00 0.39 0.00 1.63 -1.16 0.00 0.00 179.01 179.87 2qa8 n LYS 472 N -4.78 2.13 0.04 2.33 5.02 -1.26 -3.05 118.16 118.59 2qa8 n LYS 472 Ca -0.00 -1.66 -0.22 0.00 -2.02 0.00 0.00 58.31 54.40 2qa8 n LYS 472 Cb 0.07 -1.47 -0.14 0.00 -0.02 0.00 0.00 35.03 33.46 2qa8 n LYS 472 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2qa8 h ASP 473 N 3.78 0.51 -0.65 4.39 3.58 -1.80 -2.86 116.42 123.37 2qa8 h ASP 473 Ca 0.00 -0.92 0.08 0.00 0.42 0.00 0.00 57.03 56.61 2qa8 h ASP 473 Cb 0.81 -0.17 -0.07 0.00 1.72 0.00 0.00 39.33 41.63 2qa8 h ASP 473 CO 0.00 1.80 0.31 -0.74 -2.88 0.00 0.00 179.24 177.73 2qa8 h HIS 474 N 0.09 0.56 -0.50 0.28 2.76 0.19 0.40 115.15 118.93 2qa8 h HIS 474 Ca -0.38 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 57.77 2qa8 h HIS 474 Cb 2.07 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 30.85 2qa8 h HIS 474 CO 0.09 0.21 0.11 0.82 -1.30 0.00 0.00 177.93 177.86 2qa8 h ILE 475 N 0.55 1.22 -0.00 6.26 2.04 -1.65 -0.16 117.51 125.76 2qa8 h ILE 475 Ca 0.32 -0.78 -0.16 0.00 1.00 0.00 0.00 64.86 65.23 2qa8 h ILE 475 Cb 0.32 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 2qa8 h ILE 475 CO -0.25 0.29 -0.75 0.45 0.00 0.00 0.00 178.15 177.89 2qa8 h HIS 476 N 0.73 0.04 -0.51 1.37 3.86 -1.17 -0.34 115.15 119.12 2qa8 h HIS 476 Ca 0.16 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 2qa8 h HIS 476 Cb 0.29 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 2qa8 h HIS 476 CO 0.02 0.76 0.21 0.00 0.86 0.00 0.00 177.93 179.78 2qa8 h ARG 477 N 0.02 0.77 -0.45 2.45 3.08 0.49 -1.79 114.38 118.95 2qa8 h ARG 477 Ca -0.01 -0.14 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 2qa8 h ARG 477 Cb 1.32 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.23 2qa8 h ARG 477 CO 0.10 0.67 0.03 0.28 -1.07 0.00 0.00 179.97 179.98 2qa8 h VAL 478 N 0.69 1.26 -0.80 2.04 2.07 -0.92 -1.61 116.25 118.98 2qa8 h VAL 478 Ca 0.17 -0.99 0.05 0.00 0.82 0.00 0.00 66.70 66.75 2qa8 h VAL 478 Cb 0.19 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 2qa8 h VAL 478 CO -0.01 0.34 0.50 -0.07 0.02 0.00 0.00 177.57 178.34 2qa8 h LEU 479 N 0.62 0.80 -0.80 2.57 3.38 -1.01 -1.44 115.31 119.42 2qa8 h LEU 479 Ca 0.13 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2qa8 h LEU 479 Cb 0.45 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2qa8 h LEU 479 CO 0.02 0.53 0.43 0.44 0.09 0.00 0.00 178.44 179.94 2qa8 h ASP 480 N 0.94 1.01 -0.63 -0.43 3.32 -1.01 -1.62 116.42 117.98 2qa8 h ASP 480 Ca 0.34 -0.11 0.05 0.00 0.02 0.00 0.00 57.03 57.33 2qa8 h ASP 480 Cb 0.10 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 2qa8 h ASP 480 CO -0.15 0.82 0.42 0.11 -1.72 0.00 0.00 179.24 178.73 2qa8 h LYS 481 N 1.11 0.67 0.02 3.56 1.57 -0.42 -0.77 116.57 122.32 2qa8 h LYS 481 Ca 0.28 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.79 2qa8 h LYS 481 Cb 0.05 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2qa8 h LYS 481 CO -0.04 0.45 -0.98 0.82 -0.57 0.00 0.00 179.45 179.12 2qa8 h ILE 482 N 0.69 1.43 0.04 1.86 2.04 -0.61 -2.23 117.51 120.74 2qa8 h ILE 482 Ca 0.26 -2.57 -0.00 0.00 1.00 0.00 0.00 64.86 63.55 2qa8 h ILE 482 Cb 0.17 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 2qa8 h ILE 482 CO -0.08 0.76 -0.02 0.74 0.00 0.00 0.00 178.15 179.56 2qa8 h THR 483 N 0.19 0.97 -0.77 -0.27 2.02 -0.77 -0.76 112.91 113.52 2qa8 h THR 483 Ca -0.08 -0.04 0.18 0.00 0.77 0.00 0.00 66.41 67.23 2qa8 h THR 483 Cb 1.63 1.00 -0.12 0.00 -1.74 0.00 0.00 68.15 68.92 2qa8 h THR 483 CO 0.17 0.01 0.14 0.44 0.37 0.00 0.00 175.52 176.65 2qa8 h ASP 484 N -0.07 -0.09 -0.80 4.18 3.32 -1.15 -1.23 116.42 120.58 2qa8 h ASP 484 Ca -0.01 0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 2qa8 h ASP 484 Cb 0.06 0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 2qa8 h ASP 484 CO 0.01 -0.10 0.47 0.74 -1.72 0.00 0.00 179.24 178.63 2qa8 h THR 485 N 0.21 1.23 -0.61 0.35 2.02 -0.70 0.25 112.91 115.66 2qa8 h THR 485 Ca 0.44 -0.53 -0.08 0.00 0.77 0.00 0.00 66.41 67.02 2qa8 h THR 485 Cb 0.80 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 2qa8 h THR 485 CO -0.58 0.24 0.07 -0.07 0.37 0.00 0.00 175.52 175.55 2qa8 h LEU 486 N 1.10 0.99 -0.48 2.58 3.38 -0.27 -0.97 115.31 121.63 2qa8 h LEU 486 Ca 0.28 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2qa8 h LEU 486 Cb -0.02 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 2qa8 h LEU 486 CO -0.05 1.01 0.14 0.40 0.09 0.00 0.00 178.44 180.03 2qa8 h ILE 487 N 0.93 1.23 -0.44 1.22 1.08 -0.98 -1.39 117.51 119.15 2qa8 h ILE 487 Ca 0.18 -0.79 0.05 0.00 -0.39 0.00 0.00 64.86 63.92 2qa8 h ILE 487 Cb 0.46 0.83 -0.05 0.00 -3.07 0.00 0.00 36.82 34.99 2qa8 h ILE 487 CO 0.02 0.29 0.16 -0.74 -0.69 0.00 0.00 178.15 177.19 2qa8 h HIS 488 N 0.65 0.29 -0.99 1.37 -0.00 -0.73 0.17 115.15 115.92 2qa8 h HIS 488 Ca 0.15 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.57 2qa8 h HIS 488 Cb 0.29 -0.07 -0.05 0.00 -0.00 0.00 0.00 27.41 27.58 2qa8 h HIS 488 CO 0.02 0.11 0.65 -0.07 -0.00 0.00 0.00 177.93 178.64 2qa8 h LEU 489 N 0.34 1.10 -0.06 0.26 3.38 -0.89 -0.09 115.31 119.34 2qa8 h LEU 489 Ca 0.20 -0.02 -0.25 0.00 0.09 0.00 0.00 57.88 57.90 2qa8 h LEU 489 Cb 0.19 -0.26 0.02 0.00 0.09 0.00 0.00 40.66 40.69 2qa8 h LEU 489 CO -0.20 0.77 -1.01 0.24 0.09 0.00 0.00 178.44 178.33 2qa8 h MET 490 N 1.28 0.62 -1.00 1.13 2.86 -0.61 -1.84 114.93 117.36 2qa8 h MET 490 Ca 0.38 -0.66 0.02 0.00 -2.06 0.00 0.00 59.70 57.38 2qa8 h MET 490 Cb -0.05 0.19 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 2qa8 h MET 490 CO -0.11 1.26 0.66 0.00 1.06 0.00 0.00 176.91 179.78 2qa8 h ALA 491 N 0.51 1.28 -0.81 6.32 0.00 -0.52 -2.18 119.26 123.86 2qa8 h ALA 491 Ca -0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2qa8 h ALA 491 Cb 1.65 -0.40 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 2qa8 h ALA 491 CO 0.19 0.64 0.34 -0.22 0.00 0.00 0.00 179.25 180.20 2qa8 h LYS 492 N 1.34 1.20 0.00 0.00 3.64 -0.88 -2.03 116.57 119.84 2qa8 h LYS 492 Ca 0.37 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2qa8 h LYS 492 Cb -0.13 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.49 2qa8 h LYS 492 CO -0.09 0.96 0.00 0.00 -2.27 0.00 0.00 179.45 178.05 2qa8 n ALA 493 N -2.43 1.82 -0.64 5.00 0.00 -0.70 -4.85 120.51 118.71 2qa8 n ALA 493 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2qa8 n ALA 493 Cb 0.18 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2qa8 n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qa8 n GLY 494 N -0.18 0.61 3.75 0.00 0.00 -0.76 -5.06 105.19 103.55 2qa8 n GLY 494 Ca 0.07 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 2qa8 n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qa8 s LEU 495 N 0.00 4.60 0.74 0.99 1.02 -0.88 -5.03 118.68 120.13 2qa8 s LEU 495 Ca 0.00 2.04 -0.15 0.00 0.02 0.00 0.00 54.13 56.04 2qa8 s LEU 495 Cb 0.00 -3.61 0.03 0.00 0.02 0.00 0.00 46.19 42.63 2qa8 s LEU 495 CO 0.00 0.04 1.16 0.35 0.02 0.00 0.00 176.35 177.91 2qa8 n THR 496 N 1.52 3.08 -0.11 5.49 -2.24 -1.26 -4.64 114.28 116.13 2qa8 n THR 496 Ca -0.01 -0.34 -0.10 0.00 -2.27 0.00 0.00 64.05 61.33 2qa8 n THR 496 Cb 0.46 -1.25 -0.04 0.00 -2.10 0.00 0.00 70.33 67.40 2qa8 n THR 496 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2qa8 h LEU 497 N -0.32 -1.37 -0.68 3.22 5.85 -1.99 0.21 115.31 120.23 2qa8 h LEU 497 Ca -0.48 0.21 0.15 0.00 0.84 0.00 0.00 57.88 58.60 2qa8 h LEU 497 Cb 1.32 0.59 -0.11 0.00 0.37 0.00 0.00 40.66 42.83 2qa8 h LEU 497 CO 0.48 -0.37 0.03 -0.61 -0.34 0.00 0.00 178.44 177.63 2qa8 h GLN 498 N -0.34 0.13 -0.01 1.25 4.15 -2.01 0.55 115.11 118.84 2qa8 h GLN 498 Ca 0.13 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.46 2qa8 h GLN 498 Cb 0.58 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 2qa8 h GLN 498 CO -0.54 0.09 -0.40 1.96 -1.93 0.00 0.00 178.83 178.01 2qa8 h GLN 499 N 0.13 0.02 -0.38 1.69 4.20 -1.51 -2.10 115.11 117.16 2qa8 h GLN 499 Ca 0.37 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.05 2qa8 h GLN 499 Cb 0.62 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 2qa8 h GLN 499 CO -0.57 0.41 0.14 1.96 -0.67 0.00 0.00 178.83 180.10 2qa8 h GLN 500 N 0.01 0.58 -0.46 1.46 4.20 0.16 -0.76 115.11 120.31 2qa8 h GLN 500 Ca -0.00 -0.11 -0.09 0.00 0.06 0.00 0.00 58.65 58.51 2qa8 h GLN 500 Cb 0.71 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 2qa8 h GLN 500 CO 0.05 0.57 -0.06 0.45 -0.67 0.00 0.00 178.83 179.17 2qa8 h HIS 501 N 0.47 0.94 -0.21 2.96 3.86 -1.03 -1.18 115.15 120.96 2qa8 h HIS 501 Ca 0.13 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 2qa8 h HIS 501 Cb 0.21 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 2qa8 h HIS 501 CO 0.00 0.92 0.09 1.96 0.86 0.00 0.00 177.93 181.76 2qa8 h GLN 502 N 0.69 0.31 -0.62 2.45 4.20 -1.37 -1.68 115.11 119.08 2qa8 h GLN 502 Ca 0.12 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 2qa8 h GLN 502 Cb 0.58 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 2qa8 h GLN 502 CO 0.03 0.35 0.10 -0.09 -0.67 0.00 0.00 178.83 178.55 2qa8 h ARG 503 N 0.20 1.01 -0.40 1.46 2.43 -1.10 -0.22 114.38 117.75 2qa8 h ARG 503 Ca 0.07 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2qa8 h ARG 503 Cb 0.15 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2qa8 h ARG 503 CO -0.01 0.93 0.26 1.25 -1.51 0.00 0.00 179.97 180.89 2qa8 h LEU 504 N 0.95 0.46 -0.75 3.80 5.85 -1.05 -1.19 115.31 123.39 2qa8 h LEU 504 Ca 0.19 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 2qa8 h LEU 504 Cb 0.41 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2qa8 h LEU 504 CO 0.01 0.35 0.12 0.00 -0.34 0.00 0.00 178.44 178.58 2qa8 h ALA 505 N 1.13 0.97 -0.67 1.25 0.00 -1.07 -1.32 119.26 119.56 2qa8 h ALA 505 Ca 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2qa8 h ALA 505 Cb -0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 2qa8 h ALA 505 CO -0.03 0.65 0.39 1.96 0.00 0.00 0.00 179.25 182.22 2qa8 h GLN 506 N 1.01 0.91 -0.17 0.00 4.20 -0.60 -0.55 115.11 119.91 2qa8 h GLN 506 Ca 0.20 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 2qa8 h GLN 506 Cb 0.41 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 2qa8 h GLN 506 CO 0.01 0.67 0.06 -0.07 -0.67 0.00 0.00 178.83 178.83 2qa8 h LEU 507 N 0.91 0.24 -1.10 1.46 3.38 -1.03 -2.81 115.31 116.35 2qa8 h LEU 507 Ca 0.24 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2qa8 h LEU 507 Cb 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2qa8 h LEU 507 CO -0.04 0.35 -0.33 -0.07 0.09 0.00 0.00 178.44 178.44 2qa8 h LEU 508 N 0.11 0.00 -1.06 1.67 3.38 -1.08 -2.50 115.31 115.83 2qa8 h LEU 508 Ca 0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2qa8 h LEU 508 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2qa8 h LEU 508 CO -0.00 0.33 -0.20 -0.07 0.09 0.00 0.00 178.44 178.58 2qa8 h LEU 509 N 0.00 0.00 -1.10 1.67 3.38 -1.00 -2.55 115.31 115.71 2qa8 h LEU 509 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2qa8 h LEU 509 Cb 0.79 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2qa8 h LEU 509 CO 0.04 0.20 0.07 0.40 0.09 0.00 0.00 178.44 179.24 2qa8 h ILE 510 N 0.00 1.21 -0.02 1.22 1.08 -1.18 -2.53 117.51 117.30 2qa8 h ILE 510 Ca -0.00 -0.81 0.00 0.00 -0.39 0.00 0.00 64.86 63.66 2qa8 h ILE 510 Cb 0.76 0.79 -0.00 0.00 -3.07 0.00 0.00 36.82 35.29 2qa8 h ILE 510 CO 0.03 0.29 0.02 -0.07 -0.69 0.00 0.00 178.15 177.73 2qa8 h LEU 511 N 0.68 0.00 -0.20 1.44 3.38 -1.45 -0.22 115.31 118.95 2qa8 h LEU 511 Ca 0.15 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.98 2qa8 h LEU 511 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2qa8 h LEU 511 CO 0.00 0.00 -0.40 -1.28 0.09 0.00 0.00 178.44 176.86 2qa8 h SER 512 N 0.00 0.69 -0.82 -0.43 0.87 -1.53 -1.16 113.55 111.17 2qa8 h SER 512 Ca 0.01 -0.55 -0.01 0.00 -1.23 0.00 0.00 61.79 60.01 2qa8 h SER 512 Cb 0.05 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 61.77 2qa8 h SER 512 CO -0.00 1.11 0.48 -0.74 -0.53 0.00 0.00 176.83 177.15 2qa8 h HIS 513 N 0.29 1.09 -0.52 2.24 -0.00 -1.12 -1.65 115.15 115.48 2qa8 h HIS 513 Ca 0.01 -0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.29 2qa8 h HIS 513 Cb 1.00 -0.36 -0.02 0.00 -0.00 0.00 0.00 27.41 28.03 2qa8 h HIS 513 CO 0.09 0.74 -0.01 0.82 -0.00 0.00 0.00 177.93 179.57 2qa8 h ILE 514 N 1.14 1.25 -0.58 6.26 2.04 -1.16 -1.00 117.51 125.46 2qa8 h ILE 514 Ca 0.29 -1.07 0.02 0.00 1.00 0.00 0.00 64.86 65.10 2qa8 h ILE 514 Cb -0.02 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 2qa8 h ILE 514 CO -0.05 0.38 0.37 -0.09 0.00 0.00 0.00 178.15 178.76 2qa8 h ARG 515 N 0.82 0.72 -0.35 2.37 9.65 -0.89 -0.72 114.38 125.98 2qa8 h ARG 515 Ca 0.15 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 59.00 2qa8 h ARG 515 Cb 0.50 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.90 2qa8 h ARG 515 CO 0.02 0.48 0.23 1.25 2.80 0.00 0.00 179.97 184.75 2qa8 h HIS 516 N 0.74 0.43 -0.32 2.20 2.76 -0.68 -1.21 115.15 119.07 2qa8 h HIS 516 Ca 0.22 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.36 2qa8 h HIS 516 Cb -0.03 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 2qa8 h HIS 516 CO -0.05 0.27 0.05 0.52 -1.30 0.00 0.00 177.93 177.43 2qa8 h MET 517 N 0.47 0.54 -0.42 5.26 2.86 -1.08 -0.26 114.93 122.30 2qa8 h MET 517 Ca 0.13 -0.14 0.08 0.00 -2.06 0.00 0.00 59.70 57.70 2qa8 h MET 517 Cb -0.05 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.48 2qa8 h MET 517 CO -0.03 0.63 0.00 1.03 1.06 0.00 0.00 176.91 179.59 2qa8 h SER 518 N 0.37 -0.17 -0.20 1.22 0.87 -0.98 0.22 113.55 114.88 2qa8 h SER 518 Ca 0.10 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2qa8 h SER 518 Cb 0.35 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2qa8 h SER 518 CO 0.01 -0.05 0.12 0.78 -0.53 0.00 0.00 176.83 177.16 2qa8 h ASN 519 N 0.11 0.24 -0.60 6.23 2.35 -0.96 0.64 115.58 123.59 2qa8 h ASN 519 Ca 0.21 -0.04 0.07 0.00 -0.55 0.00 0.00 56.30 55.98 2qa8 h ASN 519 Cb 0.29 -0.06 -0.06 0.00 0.05 0.00 0.00 38.32 38.55 2qa8 h ASN 519 CO -0.34 0.21 0.29 0.11 -1.65 0.00 0.00 177.43 176.05 2qa8 h LYS 520 N 0.25 0.52 -0.41 0.81 1.79 -0.83 -2.19 116.57 116.51 2qa8 h LYS 520 Ca 0.07 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.41 2qa8 h LYS 520 Cb 0.01 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.53 2qa8 h LYS 520 CO -0.01 0.34 -0.15 0.78 -1.08 0.00 0.00 179.45 179.33 2qa8 h GLY 521 N 0.53 0.81 1.40 3.86 0.00 -0.35 -1.25 103.07 108.07 2qa8 h GLY 521 Ca 0.28 -0.63 -0.09 0.00 0.00 0.00 0.00 47.33 46.89 2qa8 h GLY 521 CO -0.22 0.58 -0.10 1.98 0.00 0.00 0.00 176.54 178.78 2qa8 h MET 522 N 0.67 0.72 0.00 4.80 1.85 -0.63 0.52 114.93 122.86 2qa8 h MET 522 Ca 0.11 -0.23 -0.17 0.00 -0.61 0.00 0.00 59.70 58.80 2qa8 h MET 522 Cb 0.63 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.57 2qa8 h MET 522 CO 0.04 0.80 -0.82 1.05 -0.40 0.00 0.00 176.91 177.59 2qa8 h GLU 523 N 0.65 0.00 0.12 0.39 4.11 -1.29 -1.16 114.58 117.40 2qa8 h GLU 523 Ca 0.11 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.54 2qa8 h GLU 523 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2qa8 h GLU 523 CO 0.03 0.82 -0.06 1.25 0.07 0.00 0.00 179.01 181.12 2qa8 h HIS 524 N 0.00 -0.14 -0.62 2.06 2.76 -0.85 -0.87 115.15 117.49 2qa8 h HIS 524 Ca -0.01 -0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.28 2qa8 h HIS 524 Cb 1.53 0.05 -0.09 0.00 1.55 0.00 0.00 27.41 30.44 2qa8 h HIS 524 CO 0.00 0.18 0.08 1.25 -1.30 0.00 0.00 177.93 178.15 2qa8 h LEU 525 N -0.49 -0.10 -0.75 0.26 5.85 0.03 0.92 115.31 121.03 2qa8 h LEU 525 Ca -0.02 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 2qa8 h LEU 525 Cb 0.39 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 2qa8 h LEU 525 CO 0.03 -0.04 0.25 0.22 -0.34 0.00 0.00 178.44 178.55 2qa8 h TYR 526 N 0.20 1.20 -0.55 1.25 5.03 -1.12 -2.44 116.97 120.54 2qa8 h TYR 526 Ca 0.33 -0.12 0.01 0.00 2.58 0.00 0.00 58.73 61.53 2qa8 h TYR 526 Cb 0.51 -0.35 -0.03 0.00 1.55 0.00 0.00 36.73 38.42 2qa8 h TYR 526 CO -0.29 0.94 0.36 1.03 -1.32 0.00 0.00 178.16 178.88 2qa8 h SER 527 N 1.11 0.62 0.13 -2.11 0.87 0.34 -2.61 113.55 111.90 2qa8 h SER 527 Ca 0.24 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 2qa8 h SER 527 Cb 0.29 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2qa8 h SER 527 CO -0.01 0.45 -0.12 0.24 -0.53 0.00 0.00 176.83 176.87 2qa8 h MET 528 N 0.74 0.00 0.01 2.24 2.86 -0.44 -1.08 114.93 119.26 2qa8 h MET 528 Ca 0.20 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.63 2qa8 h MET 528 Cb -0.08 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 2qa8 h MET 528 CO -0.05 0.12 -0.93 -0.22 1.06 0.00 0.00 176.91 176.89 2qa8 h LYS 529 N 0.00 0.31 0.00 1.72 3.11 -1.16 -1.89 116.57 118.66 2qa8 h LYS 529 Ca -0.00 -0.35 -0.05 0.00 -2.81 0.00 0.00 60.65 57.44 2qa8 h LYS 529 Cb 0.21 0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.53 2qa8 h LYS 529 CO 0.01 1.05 -0.26 0.00 -2.81 0.00 0.00 179.45 177.45 2qa8 n LYS 531 N -3.32 1.00 -3.26 0.00 5.02 -0.49 -4.94 118.16 112.17 2qa8 n LYS 531 Ca 0.01 -0.45 -0.23 0.00 -2.02 0.00 0.00 58.31 55.61 2qa8 n LYS 531 Cb 0.50 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 34.04 2qa8 n LYS 531 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2qa8 n ASN 532 N -0.61 -4.83 0.11 4.39 5.03 -0.92 -4.87 115.26 113.57 2qa8 n ASN 532 Ca 0.16 -0.37 0.02 0.00 0.87 0.00 0.00 54.58 55.26 2qa8 n ASN 532 Cb 0.30 -3.93 0.37 0.00 -1.02 0.00 0.00 39.78 35.50 2qa8 n ASN 532 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 2qa8 h VAL 533 N -1.25 1.19 -1.98 2.41 2.07 -1.62 -3.45 116.25 113.62 2qa8 h VAL 533 Ca -0.48 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.15 2qa8 h VAL 533 Cb 1.33 1.25 -0.21 0.00 -1.52 0.00 0.00 31.29 32.14 2qa8 h VAL 533 CO 0.56 0.26 0.16 0.54 0.02 0.00 0.00 177.57 179.11 2qa8 s VAL 534 N -4.68 0.00 0.23 2.57 0.11 -1.26 -4.55 120.40 112.83 2qa8 s VAL 534 Ca -0.05 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.70 2qa8 s VAL 534 Cb 0.15 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.91 2qa8 s VAL 534 CO 0.74 0.00 1.38 -2.84 -3.33 0.00 0.00 175.10 171.04 2qa8 s PRO 535 N -0.04 4.33 0.07 1.54 0.02 -1.26 -4.83 135.00 134.82 2qa8 s PRO 535 Ca -0.03 2.19 0.04 0.00 0.02 0.00 0.00 61.00 63.23 2qa8 s PRO 535 Cb -0.04 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.30 2qa8 s PRO 535 CO 0.03 -0.33 -0.00 -0.51 -0.33 0.00 0.00 177.00 175.85 2qa8 s LEU 536 N -0.37 3.45 0.87 -5.54 1.43 -1.26 -5.03 118.68 112.24 2qa8 s LEU 536 Ca 0.57 -0.15 -0.15 0.00 -1.03 0.00 0.00 54.13 53.38 2qa8 s LEU 536 Cb -0.39 -2.14 -0.03 0.00 0.03 0.00 0.00 46.19 43.65 2qa8 s LEU 536 CO 0.42 0.20 0.16 -0.24 0.23 0.00 0.00 176.35 177.11 2qa8 n SER 537 N 0.75 -2.75 -0.04 2.29 2.88 -1.26 -4.71 113.62 110.78 2qa8 n SER 537 Ca -0.12 0.39 -0.06 0.00 -1.33 0.00 0.00 58.87 57.75 2qa8 n SER 537 Cb 0.52 -1.10 0.14 0.00 -0.75 0.00 0.00 64.21 63.02 2qa8 n SER 537 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 2qa8 h ASP 538 N -1.03 0.65 -0.29 -3.46 3.32 -1.98 -0.27 116.42 113.36 2qa8 h ASP 538 Ca -0.44 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 56.39 2qa8 h ASP 538 Cb 1.31 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 2qa8 h ASP 538 CO 0.35 0.88 0.18 0.25 -1.72 0.00 0.00 179.24 179.17 2qa8 h LEU 539 N 0.56 0.30 -0.61 1.55 5.85 -2.00 -2.24 115.31 118.72 2qa8 h LEU 539 Ca 0.08 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 2qa8 h LEU 539 Cb 0.71 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 2qa8 h LEU 539 CO 0.05 0.22 -0.19 0.25 -0.34 0.00 0.00 178.44 178.43 2qa8 h LEU 540 N 0.36 0.92 -1.20 2.25 5.85 -1.86 -2.00 115.31 119.63 2qa8 h LEU 540 Ca 0.11 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 2qa8 h LEU 540 Cb -0.02 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 2qa8 h LEU 540 CO -0.04 1.08 0.37 -0.07 -0.34 0.00 0.00 178.44 179.44 2qa8 h LEU 541 N 0.79 0.82 -0.11 2.25 4.07 -0.99 -1.61 115.31 120.52 2qa8 h LEU 541 Ca 0.11 -0.06 -0.05 0.00 0.08 0.00 0.00 57.88 57.96 2qa8 h LEU 541 Cb 0.74 -0.21 -0.00 0.00 1.08 0.00 0.00 40.66 42.27 2qa8 h LEU 541 CO 0.06 0.65 -0.13 -0.33 -1.08 0.00 0.00 178.44 177.61 2qa8 h GLU 542 N 0.93 0.28 -0.99 1.13 5.08 -0.99 -1.18 114.58 118.84 2qa8 h GLU 542 Ca 0.24 -0.16 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2qa8 h GLU 542 Cb 0.02 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 2qa8 h GLU 542 CO -0.04 0.71 0.65 0.52 -1.00 0.00 0.00 179.01 179.84 2qa8 h MET 543 N -0.13 1.21 -0.57 2.33 2.86 -1.30 -1.82 114.93 117.51 2qa8 h MET 543 Ca 0.02 -0.07 -0.11 0.00 -2.06 0.00 0.00 59.70 57.48 2qa8 h MET 543 Cb 0.66 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 2qa8 h MET 543 CO 0.03 0.80 -0.06 1.25 1.06 0.00 0.00 176.91 179.99 2qa8 h LEU 544 N 1.25 1.03 -0.02 1.22 5.85 -1.21 -2.68 115.31 120.75 2qa8 h LEU 544 Ca 0.39 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2qa8 h LEU 544 Cb 0.00 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.75 2qa8 h LEU 544 CO -0.12 1.12 0.00 0.47 -0.34 0.00 0.00 178.44 179.57 2qa8 n ASP 545 N -4.17 0.05 0.15 1.25 10.43 -0.46 -2.49 116.55 121.31 2qa8 n ASP 545 Ca 0.02 0.51 0.04 0.00 2.57 0.00 0.00 54.79 57.93 2qa8 n ASP 545 Cb 0.38 -0.52 0.06 0.00 1.84 0.00 0.00 41.12 42.87 2qa8 n ASP 545 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qa8 h ALA 546 N 2.81 0.73 -0.36 2.24 0.00 -0.99 -3.11 119.26 120.58 2qa8 h ALA 546 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2qa8 h ALA 546 Cb 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2qa8 h ALA 546 CO 0.00 0.54 0.00 0.72 0.00 0.00 0.00 179.25 180.51 2qa8 n HIS 547 N -3.22 0.53 -2.70 0.00 8.25 -1.04 -4.06 115.22 112.98 2qa8 n HIS 547 Ca 0.02 -0.25 -0.07 0.00 -0.26 0.00 0.00 57.72 57.16 2qa8 n HIS 547 Cb 0.70 -0.02 0.06 0.00 1.12 0.00 0.00 29.99 31.85 2qa8 n HIS 547 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2qa8 n ARG 548 N 0.54 1.26 0.00 -0.41 1.74 -1.18 -5.11 116.66 113.49 2qa8 n ARG 548 Ca 0.12 -2.80 0.00 0.00 -0.77 0.00 0.00 57.85 54.40 2qa8 n ARG 548 Cb 0.34 -0.89 0.00 0.00 -1.02 0.00 0.00 32.46 30.89 2qa8 n ARG 548 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00