#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qku s SER 305 N 0.00 -0.29 0.00 1.20 0.01 -1.26 -4.98 113.70 108.38 1qku s SER 305 Ca 0.00 0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.80 1qku s SER 305 Cb 0.00 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.81 1qku s SER 305 CO 0.00 -0.14 0.15 -0.11 0.41 0.00 0.00 173.24 173.55 1qku n LEU 306 N 2.73 0.13 -0.06 2.44 0.00 -1.26 -2.75 117.00 118.23 1qku n LEU 306 Ca -0.14 -0.06 -0.12 0.00 0.00 0.00 0.00 56.01 55.69 1qku n LEU 306 Cb 0.58 -0.06 -0.04 0.00 0.00 0.00 0.00 43.42 43.89 1qku n LEU 306 CO 0.17 0.03 -0.74 0.00 0.00 0.00 0.00 177.39 176.85 1qku n ALA 307 N 0.03 1.82 0.13 1.96 0.00 -1.26 -4.29 120.51 118.90 1qku n ALA 307 Ca 0.00 -0.58 0.08 0.00 0.00 0.00 0.00 53.44 52.94 1qku n ALA 307 Cb 0.03 0.20 0.41 0.00 0.00 0.00 0.00 19.45 20.09 1qku n ALA 307 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1qku n LEU 308 N -3.91 0.39 -0.00 0.00 4.32 -1.11 -0.73 117.00 115.95 1qku n LEU 308 Ca -0.21 0.64 0.01 0.00 -0.02 0.00 0.00 56.01 56.44 1qku n LEU 308 Cb 0.52 -0.66 -0.11 0.00 -1.62 0.00 0.00 43.42 41.55 1qku n LEU 308 CO 0.07 -0.77 -0.56 -1.54 -1.22 0.00 0.00 177.39 173.37 1qku n SER 309 N -2.05 0.48 -4.55 -1.43 3.41 -1.25 -4.96 113.62 103.27 1qku n SER 309 Ca -0.01 0.21 -0.43 0.00 -0.26 0.00 0.00 58.87 58.37 1qku n SER 309 Cb 0.13 0.79 -0.00 0.00 -0.26 0.00 0.00 64.21 64.87 1qku n SER 309 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1qku n LEU 310 N -2.70 1.36 -4.81 1.04 4.77 0.09 -4.92 117.00 111.84 1qku n LEU 310 Ca -0.13 1.08 -0.33 0.00 -0.03 0.00 0.00 56.01 56.60 1qku n LEU 310 Cb 0.82 -1.24 -0.02 0.00 -2.33 0.00 0.00 43.42 40.65 1qku n LEU 310 CO 0.43 -1.88 0.71 0.42 -1.33 0.00 0.00 177.39 175.74 1qku s THR 311 N -1.20 3.97 0.57 -5.08 -4.23 -1.26 -4.81 115.64 103.59 1qku s THR 311 Ca 0.61 1.05 0.32 0.00 -1.18 0.00 0.00 61.69 62.49 1qku s THR 311 Cb -0.66 -3.48 0.46 0.00 1.34 0.00 0.00 72.50 70.16 1qku s THR 311 CO 0.58 -0.44 1.81 0.00 -0.54 0.00 0.00 174.62 176.03 1qku h ALA 312 N 0.99 2.69 0.06 3.99 0.00 -1.95 -0.40 119.26 124.65 1qku h ALA 312 Ca -0.48 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 1qku h ALA 312 Cb 1.21 0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.07 1qku h ALA 312 CO 0.59 -1.14 -0.38 -0.44 0.00 0.00 0.00 179.25 177.88 1qku h ASP 313 N 0.00 0.22 -0.76 0.00 3.32 -1.95 -3.24 116.42 114.01 1qku h ASP 313 Ca 0.39 -0.97 0.06 0.00 0.02 0.00 0.00 57.03 56.54 1qku h ASP 313 Cb 1.81 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 41.22 1qku h ASP 313 CO -0.00 1.17 0.45 1.56 -1.72 0.00 0.00 179.24 180.70 1qku h GLN 314 N -0.69 0.80 -0.76 3.56 4.20 -1.59 -0.84 115.11 119.79 1qku h GLN 314 Ca -0.07 -0.05 0.15 0.00 0.06 0.00 0.00 58.65 58.75 1qku h GLN 314 Cb 1.29 -0.18 -0.14 0.00 0.30 0.00 0.00 27.48 28.74 1qku h GLN 314 CO 0.07 0.53 -0.18 1.98 -0.67 0.00 0.00 178.83 180.56 1qku h MET 315 N 0.82 0.00 0.00 1.46 4.05 -1.21 0.12 114.93 120.18 1qku h MET 315 Ca 0.34 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.76 1qku h MET 315 Cb 0.19 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.99 1qku h MET 315 CO -0.18 0.00 0.00 0.28 0.23 0.00 0.00 176.91 177.24 1qku n VAL 316 N -5.49 0.00 0.13 -5.77 0.31 -0.38 -2.15 118.33 104.97 1qku n VAL 316 Ca 0.11 1.36 0.04 0.00 -0.01 0.00 0.00 64.34 65.84 1qku n VAL 316 Cb 0.39 -2.36 0.22 0.00 -0.91 0.00 0.00 33.84 31.19 1qku n VAL 316 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1qku n SER 317 N -1.88 0.21 -0.03 4.52 3.41 -0.84 0.53 113.62 119.54 1qku n SER 317 Ca 0.00 0.43 -0.01 0.00 -0.26 0.00 0.00 58.87 59.04 1qku n SER 317 Cb 0.00 -0.36 -0.00 0.00 -0.26 0.00 0.00 64.21 63.58 1qku n SER 317 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qku h ALA 318 N 0.95 -0.04 -0.16 7.33 0.00 -0.60 -2.18 119.26 124.56 1qku h ALA 318 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1qku h ALA 318 Cb 0.72 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1qku h ALA 318 CO 0.00 -0.04 0.04 -0.07 0.00 0.00 0.00 179.25 179.18 1qku h LEU 319 N -0.91 0.20 -0.27 0.00 3.38 -0.09 0.71 115.31 118.32 1qku h LEU 319 Ca -0.00 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1qku h LEU 319 Cb 0.03 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1qku h LEU 319 CO 0.01 0.20 -0.42 0.25 0.09 0.00 0.00 178.44 178.57 1qku h LEU 320 N 0.22 0.85 -0.78 1.67 5.85 -0.03 -2.44 115.31 120.66 1qku h LEU 320 Ca 0.06 -0.52 -0.12 0.00 0.84 0.00 0.00 57.88 58.14 1qku h LEU 320 Cb 0.09 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1qku h LEU 320 CO -0.00 1.20 -0.59 -0.78 -0.34 0.00 0.00 178.44 177.92 1qku h ASP 321 N 0.52 0.00 -0.57 1.25 -0.00 -0.86 -3.16 116.42 113.60 1qku h ASP 321 Ca 0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 57.03 57.02 1qku h ASP 321 Cb 1.02 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 40.32 1qku h ASP 321 CO 0.10 0.59 0.22 0.00 -0.00 0.00 0.00 179.24 180.15 1qku h ALA 322 N 1.41 1.24 -0.68 -0.78 0.00 -0.64 -3.46 119.26 116.34 1qku h ALA 322 Ca -0.01 -0.17 -0.49 0.00 0.00 0.00 0.00 54.91 54.24 1qku h ALA 322 Cb 1.08 -0.25 0.06 0.00 0.00 0.00 0.00 17.79 18.68 1qku h ALA 322 CO 0.08 0.55 -0.23 0.39 0.00 0.00 0.00 179.25 180.04 1qku n GLU 323 N -4.30 0.00 -2.16 0.00 -0.58 -0.94 -4.80 120.64 107.86 1qku n GLU 323 Ca 0.05 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.52 1qku n GLU 323 Cb 0.18 -0.80 0.06 0.00 -0.57 0.00 0.00 31.44 30.32 1qku n GLU 323 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1qku s PRO 324 N -0.46 2.37 0.56 3.49 0.04 -1.26 -5.06 135.00 134.68 1qku s PRO 324 Ca 0.50 -0.08 -0.18 0.00 0.04 0.00 0.00 61.00 61.29 1qku s PRO 324 Cb -0.71 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.64 1qku s PRO 324 CO 0.39 -1.17 1.07 -1.25 0.04 0.00 0.00 177.00 176.07 1qku s PRO 325 N -5.26 3.42 -0.54 0.56 0.04 -1.26 -4.93 135.00 127.04 1qku s PRO 325 Ca 0.59 1.33 -0.02 0.00 0.04 0.00 0.00 61.00 62.94 1qku s PRO 325 Cb -0.11 -2.04 0.28 0.00 0.04 0.00 0.00 34.50 32.68 1qku s PRO 325 CO 0.46 -0.74 2.17 -0.89 0.04 0.00 0.00 177.00 178.04 1qku n ILE 326 N -1.64 3.29 -0.23 0.56 5.41 -1.26 -5.01 119.36 120.48 1qku n ILE 326 Ca 0.09 -2.71 -0.08 0.00 1.00 0.00 0.00 62.75 61.05 1qku n ILE 326 Cb 0.52 -1.31 -0.01 0.00 -0.71 0.00 0.00 39.64 38.13 1qku n ILE 326 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1qku n LEU 327 N -0.11 -0.07 -4.79 1.39 -0.00 -1.26 -4.76 117.00 107.40 1qku n LEU 327 Ca 0.48 0.18 -0.37 0.00 -0.00 0.00 0.00 56.01 56.29 1qku n LEU 327 Cb 0.55 -0.14 -0.06 0.00 -0.00 0.00 0.00 43.42 43.76 1qku n LEU 327 CO 0.53 -0.36 0.54 -0.31 -0.00 0.00 0.00 177.39 177.79 1qku s TYR 328 N -0.06 3.74 -0.05 1.47 1.51 -1.26 -4.79 117.35 117.91 1qku s TYR 328 Ca 0.13 1.63 -0.18 0.00 -1.01 0.00 0.00 57.07 57.63 1qku s TYR 328 Cb -0.18 -2.79 -0.05 0.00 -0.11 0.00 0.00 41.96 38.83 1qku s TYR 328 CO 0.09 0.33 0.50 0.45 -1.11 0.00 0.00 175.55 175.80 1qku s SER 329 N -1.52 6.81 0.18 2.29 0.15 -1.26 -5.02 113.70 115.33 1qku s SER 329 Ca 0.44 0.96 -0.32 0.00 0.70 0.00 0.00 55.95 57.74 1qku s SER 329 Cb -0.19 -2.30 -0.11 0.00 -1.71 0.00 0.00 66.02 61.70 1qku s SER 329 CO 0.24 0.12 1.72 -1.83 1.20 0.00 0.00 173.24 174.68 1qku s GLU 330 N -0.07 4.14 -0.30 5.44 4.04 -1.26 -4.79 118.70 125.90 1qku s GLU 330 Ca 0.27 2.56 -0.19 0.00 0.04 0.00 0.00 54.97 57.66 1qku s GLU 330 Cb -0.17 -3.20 0.21 0.00 0.02 0.00 0.00 34.13 30.99 1qku s GLU 330 CO 0.13 -0.75 1.33 -0.47 -1.84 0.00 0.00 175.26 173.66 1qku s TYR 331 N 1.52 -0.04 -0.33 4.83 5.04 -1.26 -5.01 117.35 122.10 1qku s TYR 331 Ca 0.75 0.08 -0.03 0.00 -2.44 0.00 0.00 57.07 55.43 1qku s TYR 331 Cb -0.48 0.16 0.06 0.00 0.35 0.00 0.00 41.96 42.05 1qku s TYR 331 CO 0.33 -0.02 0.07 0.16 -1.34 0.00 0.00 175.55 174.75 1qku s ASP 332 N 0.74 5.08 0.00 4.32 3.84 -1.26 -4.95 116.67 124.44 1qku s ASP 332 Ca -0.04 -1.42 0.00 0.00 -0.00 0.00 0.00 52.55 51.10 1qku s ASP 332 Cb -0.03 -1.78 0.00 0.00 -1.38 0.00 0.00 42.92 39.73 1qku s ASP 332 CO -0.11 -0.34 0.00 -2.65 -0.00 0.00 0.00 175.17 172.06 1qku n PRO 333 N 4.66 0.00 -2.08 2.11 -0.02 -1.26 -2.61 135.00 135.81 1qku n PRO 333 Ca -0.10 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.05 1qku n PRO 333 Cb 0.43 -0.98 0.03 0.00 -0.02 0.00 0.00 33.50 32.96 1qku n PRO 333 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1qku n THR 334 N -0.19 3.01 -3.38 3.45 -2.24 -1.26 -4.89 114.28 108.77 1qku n THR 334 Ca 0.00 -4.37 0.02 0.00 -2.27 0.00 0.00 64.05 57.43 1qku n THR 334 Cb 0.00 -1.23 -0.03 0.00 -2.10 0.00 0.00 70.33 66.97 1qku n THR 334 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1qku s ARG 335 N -3.79 0.34 0.30 -0.78 3.00 -1.07 -5.15 118.95 111.80 1qku s ARG 335 Ca 0.52 0.80 -0.29 0.00 -1.00 0.00 0.00 55.73 55.76 1qku s ARG 335 Cb 0.43 0.48 -0.11 0.00 0.00 0.00 0.00 34.95 35.75 1qku s ARG 335 CO -0.23 -0.17 1.46 -1.25 0.00 0.00 0.00 175.30 175.11 1qku s PRO 336 N 2.62 4.21 0.25 5.12 0.04 -1.26 -4.96 135.00 141.02 1qku s PRO 336 Ca -0.01 2.41 -0.30 0.00 0.04 0.00 0.00 61.00 63.14 1qku s PRO 336 Cb -0.08 -3.05 -0.10 0.00 0.04 0.00 0.00 34.50 31.31 1qku s PRO 336 CO -0.17 -0.46 1.42 -0.06 0.04 0.00 0.00 177.00 177.77 1qku s PHE 337 N -0.42 3.04 0.12 0.56 0.40 -1.26 -4.99 117.98 115.43 1qku s PHE 337 Ca 0.57 1.06 0.09 0.00 -0.60 0.00 0.00 56.93 58.06 1qku s PHE 337 Cb -0.44 -3.79 -0.04 0.00 0.51 0.00 0.00 43.02 39.26 1qku s PHE 337 CO 0.50 -2.55 -0.22 -1.54 0.70 0.00 0.00 175.22 172.11 1qku s SER 338 N 0.32 2.80 0.18 1.36 1.04 -1.26 -4.95 113.70 113.18 1qku s SER 338 Ca 0.59 -0.73 -0.22 0.00 0.48 0.00 0.00 55.95 56.06 1qku s SER 338 Cb -0.41 -0.17 0.09 0.00 0.10 0.00 0.00 66.02 65.63 1qku s SER 338 CO 0.43 0.08 1.41 1.21 0.98 0.00 0.00 173.24 177.35 1qku n GLU 339 N 0.90 -0.30 0.07 4.02 2.13 -1.17 -0.64 120.64 125.65 1qku n GLU 339 Ca -0.18 1.39 -0.13 0.00 0.66 0.00 0.00 57.16 58.90 1qku n GLU 339 Cb 0.54 -2.06 -0.08 0.00 0.27 0.00 0.00 31.44 30.11 1qku n GLU 339 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1qku h ALA 340 N 0.88 -0.14 -0.75 4.31 0.00 -1.88 -2.67 119.26 119.01 1qku h ALA 340 Ca 0.24 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.16 1qku h ALA 340 Cb 0.46 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.18 1qku h ALA 340 CO -0.88 -0.49 -0.37 1.03 0.00 0.00 0.00 179.25 178.54 1qku h SER 341 N -0.31 -1.30 -0.22 0.00 0.87 -1.23 0.38 113.55 111.74 1qku h SER 341 Ca -0.01 0.26 -0.11 0.00 -1.23 0.00 0.00 61.79 60.69 1qku h SER 341 Cb 0.26 0.66 -0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1qku h SER 341 CO 0.02 -0.30 -0.31 -0.03 -0.53 0.00 0.00 176.83 175.69 1qku h MET 342 N -0.10 0.59 -0.19 2.24 1.85 -1.33 -0.68 114.93 117.31 1qku h MET 342 Ca 0.27 -0.34 0.05 0.00 -0.61 0.00 0.00 59.70 59.07 1qku h MET 342 Cb 0.57 0.03 -0.06 0.00 0.43 0.00 0.00 31.60 32.56 1qku h MET 342 CO -0.80 0.95 -0.26 0.52 -0.40 0.00 0.00 176.91 176.92 1qku h MET 343 N 0.28 -0.29 -0.76 0.39 2.07 -1.03 0.55 114.93 116.14 1qku h MET 343 Ca 0.02 0.02 0.02 0.00 -2.07 0.00 0.00 59.70 57.69 1qku h MET 343 Cb 0.88 0.07 -0.04 0.00 -1.87 0.00 0.00 31.60 30.64 1qku h MET 343 CO 0.07 -0.19 0.49 0.78 1.07 0.00 0.00 176.91 179.13 1qku h GLY 344 N -0.30 1.08 0.78 8.32 0.00 -0.92 0.38 103.07 112.41 1qku h GLY 344 Ca 0.12 -0.38 0.04 0.00 0.00 0.00 0.00 47.33 47.11 1qku h GLY 344 CO -0.36 0.34 0.26 -2.00 0.00 0.00 0.00 176.54 174.78 1qku h LEU 345 N 0.97 0.39 0.43 3.11 7.12 0.47 -0.45 115.31 127.35 1qku h LEU 345 Ca 0.29 0.02 -0.02 0.00 0.13 0.00 0.00 57.88 58.30 1qku h LEU 345 Cb -0.04 -0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.04 1qku h LEU 345 CO -0.09 0.27 -0.21 -0.07 -0.13 0.00 0.00 178.44 178.22 1qku h LEU 346 N 0.51 -0.49 -1.93 2.25 3.38 0.67 -3.01 115.31 116.69 1qku h LEU 346 Ca 0.21 -0.01 0.26 0.00 0.09 0.00 0.00 57.88 58.42 1qku h LEU 346 Cb 0.09 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 1qku h LEU 346 CO -0.13 -0.06 0.71 0.71 0.09 0.00 0.00 178.44 179.76 1qku h THR 347 N -1.13 0.42 -0.02 0.22 1.35 -0.27 0.54 112.91 114.02 1qku h THR 347 Ca -0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.80 1qku h THR 347 Cb 0.47 0.49 -0.00 0.00 -1.73 0.00 0.00 68.15 67.38 1qku h THR 347 CO 0.10 0.00 -0.01 -1.13 -0.25 0.00 0.00 175.52 174.23 1qku h ASN 348 N 0.00 0.05 -0.57 5.36 -1.24 -1.08 0.90 115.58 118.99 1qku h ASN 348 Ca 0.42 -0.41 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1qku h ASN 348 Cb 1.84 -0.01 -0.03 0.00 0.73 0.00 0.00 38.32 40.84 1qku h ASN 348 CO -0.00 0.45 0.37 0.25 -1.29 0.00 0.00 177.43 177.21 1qku h LEU 349 N -0.35 0.66 0.62 0.34 5.85 0.01 -1.84 115.31 120.60 1qku h LEU 349 Ca 0.00 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1qku h LEU 349 Cb 0.43 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1qku h LEU 349 CO 0.00 0.49 -0.47 0.00 -0.34 0.00 0.00 178.44 178.12 1qku h ALA 350 N 1.20 -1.20 -0.58 1.25 0.00 -0.29 0.19 119.26 119.83 1qku h ALA 350 Ca 0.21 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 55.03 1qku h ALA 350 Cb -0.08 0.64 -0.10 0.00 0.00 0.00 0.00 17.79 18.25 1qku h ALA 350 CO -0.04 -1.19 -0.07 0.22 0.00 0.00 0.00 179.25 178.17 1qku h ASP 351 N -1.05 -0.39 0.40 0.00 1.82 -0.64 0.17 116.42 116.73 1qku h ASP 351 Ca -0.08 0.16 -0.02 0.00 -0.39 0.00 0.00 57.03 56.70 1qku h ASP 351 Cb 0.87 0.30 0.00 0.00 0.68 0.00 0.00 39.33 41.19 1qku h ASP 351 CO 0.02 -0.15 -0.19 0.03 -1.61 0.00 0.00 179.24 177.34 1qku h ARG 352 N 0.06 -0.52 -0.95 0.28 3.08 -1.16 -2.56 114.38 112.61 1qku h ARG 352 Ca 0.29 0.04 0.23 0.00 0.07 0.00 0.00 59.98 60.61 1qku h ARG 352 Cb 0.46 0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.56 1qku h ARG 352 CO -0.54 -0.25 0.63 1.49 -1.07 0.00 0.00 179.97 180.23 1qku h GLU 353 N -0.74 0.35 0.00 0.04 4.81 -0.19 0.49 114.58 119.35 1qku h GLU 353 Ca -0.06 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1qku h GLU 353 Cb 0.51 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 1qku h GLU 353 CO 0.09 0.23 -0.01 1.25 -0.73 0.00 0.00 179.01 179.84 1qku h LEU 354 N 0.36 0.00 -0.16 1.64 5.85 -0.24 -1.53 115.31 121.23 1qku h LEU 354 Ca 0.50 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.99 1qku h LEU 354 Cb 1.34 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.38 1qku h LEU 354 CO -0.19 0.01 -0.89 0.58 -0.34 0.00 0.00 178.44 177.62 1qku h VAL 355 N 0.00 1.33 0.00 1.05 2.07 0.07 -3.06 116.25 117.71 1qku h VAL 355 Ca -0.00 -2.21 -0.17 0.00 0.82 0.00 0.00 66.70 65.14 1qku h VAL 355 Cb 0.07 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1qku h VAL 355 CO 0.00 0.68 -0.82 0.45 0.02 0.00 0.00 177.57 177.90 1qku h HIS 356 N 0.37 0.00 -0.79 1.57 3.86 -1.34 -3.15 115.15 115.67 1qku h HIS 356 Ca -0.08 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.11 1qku h HIS 356 Cb 1.52 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.95 1qku h HIS 356 CO 0.08 0.82 0.42 1.98 0.86 0.00 0.00 177.93 182.09 1qku h MET 357 N 0.00 1.10 -0.08 2.45 -1.53 -1.38 0.17 114.93 115.66 1qku h MET 357 Ca -0.01 -0.13 0.02 0.00 -3.44 0.00 0.00 59.70 56.14 1qku h MET 357 Cb 1.47 -0.22 -0.01 0.00 -0.55 0.00 0.00 31.60 32.29 1qku h MET 357 CO 0.11 0.81 -0.02 0.82 0.14 0.00 0.00 176.91 178.77 1qku h ILE 358 N 1.10 0.92 -0.82 1.77 2.04 -1.49 -0.24 117.51 120.79 1qku h ILE 358 Ca 0.28 -0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.10 1qku h ILE 358 Cb 0.04 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 1qku h ILE 358 CO -0.04 0.00 0.37 0.78 0.00 0.00 0.00 178.15 179.25 1qku h ASN 359 N 0.01 1.09 -0.00 1.72 -0.26 -1.47 -2.58 115.58 114.09 1qku h ASN 359 Ca 0.04 -0.15 0.03 0.00 -0.56 0.00 0.00 56.30 55.66 1qku h ASN 359 Cb 0.06 -0.28 -0.03 0.00 -1.06 0.00 0.00 38.32 37.00 1qku h ASN 359 CO -0.08 0.94 -0.17 -0.25 -1.06 0.00 0.00 177.43 176.81 1qku h TRP 360 N 1.18 -0.45 -0.73 1.19 7.01 -0.19 -2.78 115.95 121.19 1qku h TRP 360 Ca 0.28 0.02 0.12 0.00 2.11 0.00 0.00 58.89 61.42 1qku h TRP 360 Cb 0.16 0.20 -0.13 0.00 -2.10 0.00 0.00 29.16 27.29 1qku h TRP 360 CO 0.02 -0.25 -0.34 0.00 -2.79 0.00 0.00 178.44 175.08 1qku h ALA 361 N 0.64 0.07 -1.03 2.65 0.00 -0.65 0.13 119.26 121.07 1qku h ALA 361 Ca 0.05 0.21 0.26 0.00 0.00 0.00 0.00 54.91 55.43 1qku h ALA 361 Cb 0.35 0.84 -0.10 0.00 0.00 0.00 0.00 17.79 18.88 1qku h ALA 361 CO -0.16 -0.64 0.65 0.87 0.00 0.00 0.00 179.25 179.97 1qku h LYS 362 N -0.10 0.44 0.00 0.00 6.56 -1.34 -0.31 116.57 121.83 1qku h LYS 362 Ca 0.28 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.84 1qku h LYS 362 Cb 0.57 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.13 1qku h LYS 362 CO -0.79 0.29 0.00 0.00 -2.06 0.00 0.00 179.45 176.90 1qku h ARG 363 N 0.46 0.00 -6.92 3.15 3.08 -0.72 -3.41 114.38 110.02 1qku h ARG 363 Ca 0.61 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 60.13 1qku h ARG 363 Cb 1.41 0.00 0.08 0.00 0.08 0.00 0.00 29.97 31.54 1qku h ARG 363 CO -0.34 0.00 0.68 0.08 -1.07 0.00 0.00 179.97 179.32 1qku s VAL 364 N -3.35 2.44 0.40 2.04 1.01 -0.13 -4.88 120.40 117.94 1qku s VAL 364 Ca 0.05 0.43 -0.27 0.00 0.00 0.00 0.00 61.98 62.20 1qku s VAL 364 Cb 0.07 -3.27 -0.09 0.00 0.00 0.00 0.00 36.38 33.08 1qku s VAL 364 CO 0.62 0.10 1.38 -2.84 0.00 0.00 0.00 175.10 174.36 1qku s PRO 365 N -2.01 3.96 0.00 2.72 0.02 -1.26 -2.79 135.00 135.64 1qku s PRO 365 Ca 0.52 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.88 1qku s PRO 365 Cb -0.42 -2.81 0.00 0.00 0.02 0.00 0.00 34.50 31.29 1qku s PRO 365 CO 0.56 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 177.07 1qku n GLY 366 N 0.61 2.00 0.14 0.52 0.00 -1.26 -4.83 105.19 102.37 1qku n GLY 366 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1qku n GLY 366 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1qku h PHE 367 N 0.00 0.40 0.00 1.61 3.57 -1.84 -2.47 116.94 118.22 1qku h PHE 367 Ca 0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1qku h PHE 367 Cb 0.00 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.62 1qku h PHE 367 CO 0.00 0.42 0.00 1.33 -2.23 0.00 0.00 178.31 177.83 1qku n VAL 368 N -4.77 0.51 0.54 1.41 0.24 -1.26 -2.43 118.33 112.57 1qku n VAL 368 Ca -0.03 0.13 0.12 0.00 -2.04 0.00 0.00 64.34 62.52 1qku n VAL 368 Cb 0.14 -0.79 0.45 0.00 -1.47 0.00 0.00 33.84 32.17 1qku n VAL 368 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1qku n ASP 369 N -1.40 0.66 -4.07 -1.34 8.00 -0.93 -4.77 116.55 112.69 1qku n ASP 369 Ca 0.07 0.61 -0.29 0.00 0.71 0.00 0.00 54.79 55.89 1qku n ASP 369 Cb 0.20 -0.77 0.19 0.00 -0.02 0.00 0.00 41.12 40.73 1qku n ASP 369 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qku s LEU 370 N -4.33 2.77 0.21 0.64 1.43 -1.02 -5.04 118.68 113.34 1qku s LEU 370 Ca 0.08 0.11 -0.18 0.00 -1.03 0.00 0.00 54.13 53.11 1qku s LEU 370 Cb 0.11 -2.11 -0.08 0.00 0.03 0.00 0.00 46.19 44.14 1qku s LEU 370 CO 0.48 -2.77 0.69 0.42 0.23 0.00 0.00 176.35 175.40 1qku s THR 371 N -3.86 4.63 0.19 5.49 -4.23 -1.26 -4.90 115.64 111.70 1qku s THR 371 Ca 0.75 1.18 -0.23 0.00 -1.18 0.00 0.00 61.69 62.20 1qku s THR 371 Cb -0.03 -3.82 0.10 0.00 1.34 0.00 0.00 72.50 70.10 1qku s THR 371 CO 0.53 0.19 1.55 -0.07 -0.54 0.00 0.00 174.62 176.28 1qku h LEU 372 N 3.37 -1.62 -1.28 4.79 3.38 -1.95 0.35 115.31 122.34 1qku h LEU 372 Ca -0.48 0.29 0.12 0.00 0.09 0.00 0.00 57.88 57.91 1qku h LEU 372 Cb 1.19 0.78 -0.07 0.00 0.09 0.00 0.00 40.66 42.66 1qku h LEU 372 CO 0.65 -0.29 0.56 0.45 0.09 0.00 0.00 178.44 179.91 1qku h HIS 373 N -0.07 0.84 0.00 1.13 3.86 -2.00 0.64 115.15 119.55 1qku h HIS 373 Ca 0.25 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.41 1qku h HIS 373 Cb 0.54 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 1qku h HIS 373 CO -0.86 0.35 -0.35 -0.44 0.86 0.00 0.00 177.93 177.49 1qku h ASP 374 N 0.75 0.00 -0.16 2.45 3.32 -0.77 -0.94 116.42 121.06 1qku h ASP 374 Ca 0.42 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.39 1qku h ASP 374 Cb 0.58 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 1qku h ASP 374 CO -0.18 0.35 -0.21 1.56 -1.72 0.00 0.00 179.24 179.03 1qku h GLN 375 N 0.00 0.42 -0.53 3.56 4.20 0.81 -1.89 115.11 121.68 1qku h GLN 375 Ca -0.00 -0.24 0.02 0.00 0.06 0.00 0.00 58.65 58.49 1qku h GLN 375 Cb 0.89 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.65 1qku h GLN 375 CO 0.05 0.83 0.32 0.28 -0.67 0.00 0.00 178.83 179.63 1qku h VAL 376 N 0.05 1.06 0.11 -0.54 2.07 -1.10 0.25 116.25 118.15 1qku h VAL 376 Ca 0.02 -0.22 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1qku h VAL 376 Cb 0.77 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1qku h VAL 376 CO 0.05 0.12 -0.38 -0.74 0.02 0.00 0.00 177.57 176.64 1qku h HIS 377 N 0.63 -1.06 -0.00 1.57 6.17 -1.07 0.37 115.15 121.76 1qku h HIS 377 Ca 0.21 0.03 0.03 0.00 0.71 0.00 0.00 60.37 61.35 1qku h HIS 377 Cb 0.02 0.45 -0.05 0.00 2.52 0.00 0.00 27.41 30.35 1qku h HIS 377 CO -0.06 -0.48 -0.33 -0.07 0.71 0.00 0.00 177.93 177.69 1qku h LEU 378 N -0.61 -1.00 -0.21 0.26 3.38 -0.94 1.00 115.31 117.19 1qku h LEU 378 Ca 0.03 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.17 1qku h LEU 378 Cb 0.64 0.40 -0.07 0.00 0.09 0.00 0.00 40.66 41.72 1qku h LEU 378 CO -0.23 -0.39 -0.45 -0.07 0.09 0.00 0.00 178.44 177.38 1qku h LEU 379 N -0.49 -1.45 0.00 1.67 3.38 -0.42 -0.76 115.31 117.24 1qku h LEU 379 Ca 0.06 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.22 1qku h LEU 379 Cb 0.57 0.60 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1qku h LEU 379 CO -0.27 -0.42 0.00 -1.84 0.09 0.00 0.00 178.44 175.99 1qku n GLU 380 N -5.43 0.17 0.08 1.13 0.28 0.13 -0.86 120.64 116.13 1qku n GLU 380 Ca -0.04 0.10 0.12 0.00 -0.16 0.00 0.00 57.16 57.17 1qku n GLU 380 Cb 0.36 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.75 1qku n GLU 380 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1qku n ALA 382 N -2.08 1.81 -0.30 0.00 0.00 -0.69 -4.82 120.51 114.43 1qku n ALA 382 Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.37 1qku n ALA 382 Cb 0.52 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.06 1qku n ALA 382 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1qku n TRP 383 N -0.64 0.22 -0.10 0.00 4.27 -0.04 0.15 117.44 121.30 1qku n TRP 383 Ca 0.00 1.01 -0.08 0.00 -3.89 0.00 0.00 57.50 54.54 1qku n TRP 383 Cb 0.01 -0.93 0.08 0.00 -1.36 0.00 0.00 31.31 29.10 1qku n TRP 383 CO 0.00 0.00 0.00 1.25 -2.29 0.00 0.00 177.69 176.65 1qku h LEU 384 N 0.00 0.83 -0.66 5.67 5.85 -1.88 0.16 115.31 125.27 1qku h LEU 384 Ca 0.37 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1qku h LEU 384 Cb 0.57 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1qku h LEU 384 CO -0.84 1.01 0.44 -0.33 -0.34 0.00 0.00 178.44 178.38 1qku h GLU 385 N 0.72 0.86 -0.29 1.25 5.08 -0.64 -1.73 114.58 119.82 1qku h GLU 385 Ca 0.10 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1qku h GLU 385 Cb 0.73 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1qku h GLU 385 CO 0.06 0.57 0.05 0.82 -1.00 0.00 0.00 179.01 179.51 1qku h ILE 386 N 0.88 1.23 -0.52 3.13 2.04 -0.85 -0.99 117.51 122.43 1qku h ILE 386 Ca 0.25 -0.78 0.12 0.00 1.00 0.00 0.00 64.86 65.45 1qku h ILE 386 Cb -0.08 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1qku h ILE 386 CO -0.06 0.26 0.36 -0.07 0.00 0.00 0.00 178.15 178.64 1qku h LEU 387 N 0.31 0.14 0.16 1.44 3.38 -0.57 -2.72 115.31 117.45 1qku h LEU 387 Ca 0.09 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.75 1qku h LEU 387 Cb 0.33 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.06 1qku h LEU 387 CO 0.00 0.08 -1.54 0.24 0.09 0.00 0.00 178.44 177.31 1qku h MET 388 N 0.15 0.34 0.00 1.13 2.86 -0.91 -2.76 114.93 115.75 1qku h MET 388 Ca 0.25 -0.59 -0.00 0.00 -2.06 0.00 0.00 59.70 57.30 1qku h MET 388 Cb 0.78 0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.65 1qku h MET 388 CO -0.04 1.28 -0.01 0.97 1.06 0.00 0.00 176.91 180.18 1qku h ILE 389 N -0.08 0.04 0.09 -1.22 2.10 -1.00 -0.29 117.51 117.14 1qku h ILE 389 Ca -0.31 -0.20 -0.00 0.00 1.08 0.00 0.00 64.86 65.43 1qku h ILE 389 Cb 1.94 1.19 0.00 0.00 -1.09 0.00 0.00 36.82 38.86 1qku h ILE 389 CO 0.14 0.01 -0.04 1.23 -1.08 0.00 0.00 178.15 178.40 1qku h GLY 390 N 0.71 -0.12 -0.44 8.18 0.00 -1.57 -2.82 103.07 107.01 1qku h GLY 390 Ca -0.00 0.04 0.14 0.00 0.00 0.00 0.00 47.33 47.52 1qku h GLY 390 CO 0.00 -0.04 -0.19 -2.00 0.00 0.00 0.00 176.54 174.31 1qku h LEU 391 N -0.99 -0.70 -1.28 3.11 5.85 -1.09 0.47 115.31 120.67 1qku h LEU 391 Ca -0.01 0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.97 1qku h LEU 391 Cb 0.36 0.45 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 1qku h LEU 391 CO 0.02 -0.24 0.51 0.58 -0.34 0.00 0.00 178.44 178.97 1qku h VAL 392 N -0.01 1.09 0.07 1.05 2.07 -1.18 -0.45 116.25 118.89 1qku h VAL 392 Ca 0.34 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1qku h VAL 392 Cb 0.53 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1qku h VAL 392 CO -0.74 0.17 -0.03 -0.25 0.02 0.00 0.00 177.57 176.73 1qku h TRP 393 N 0.91 -0.08 -0.28 1.57 2.91 0.11 -2.45 115.95 118.64 1qku h TRP 393 Ca 0.32 -0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.35 1qku h TRP 393 Cb 0.12 0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.78 1qku h TRP 393 CO -0.00 0.21 0.19 0.00 -1.03 0.00 0.00 178.44 177.81 1qku h ARG 394 N -0.38 0.32 -0.00 2.65 3.08 -0.54 -2.18 114.38 117.33 1qku h ARG 394 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1qku h ARG 394 Cb 0.33 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1qku h ARG 394 CO 0.01 0.21 -0.07 0.43 -1.07 0.00 0.00 179.97 179.49 1qku n SER 395 N -4.50 0.48 -0.25 7.04 7.64 -0.22 -4.47 113.62 119.34 1qku n SER 395 Ca 0.02 -0.73 -0.09 0.00 1.01 0.00 0.00 58.87 59.08 1qku n SER 395 Cb 0.11 -0.07 -0.07 0.00 -1.01 0.00 0.00 64.21 63.17 1qku n SER 395 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1qku h MET 396 N 0.64 -0.08 0.00 1.43 2.86 -0.90 -2.53 114.93 116.35 1qku h MET 396 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1qku h MET 396 Cb 0.30 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1qku h MET 396 CO 0.00 -0.05 0.00 0.93 1.06 0.00 0.00 176.91 178.85 1qku h GLU 397 N -0.08 0.00 -2.95 1.72 5.08 -1.83 -3.37 114.58 113.15 1qku h GLU 397 Ca 0.10 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.72 1qku h GLU 397 Cb 0.34 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 29.26 1qku h GLU 397 CO -0.62 0.00 0.26 0.72 -1.00 0.00 0.00 179.01 178.36 1qku n HIS 398 N -2.53 3.42 -1.54 4.33 8.25 -0.95 -5.06 115.22 121.15 1qku n HIS 398 Ca 0.02 -3.45 -0.41 0.00 -0.26 0.00 0.00 57.72 53.62 1qku n HIS 398 Cb 0.28 -1.15 0.01 0.00 1.12 0.00 0.00 29.99 30.26 1qku n HIS 398 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1qku n PRO 399 N 1.63 0.93 -0.94 -0.41 -0.04 -1.26 -1.66 135.00 133.24 1qku n PRO 399 Ca 0.26 0.34 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 1qku n PRO 399 Cb 0.36 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1qku n PRO 399 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qku n GLY 400 N 1.48 0.44 3.08 0.55 0.00 -1.26 -4.98 105.19 104.51 1qku n GLY 400 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 1qku n GLY 400 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qku s LYS 401 N -0.57 0.37 -0.28 1.61 1.02 -0.67 -3.62 119.74 117.60 1qku s LYS 401 Ca 0.00 -0.14 -0.08 0.00 0.02 0.00 0.00 55.97 55.77 1qku s LYS 401 Cb 0.00 0.16 -0.01 0.00 -0.52 0.00 0.00 37.83 37.46 1qku s LYS 401 CO 0.00 -0.08 0.10 -0.51 -0.92 0.00 0.00 175.35 173.94 1qku s LEU 402 N -0.79 3.76 -1.31 3.17 1.43 0.08 -4.77 118.68 120.26 1qku s LEU 402 Ca -0.09 -0.47 -0.14 0.00 -1.03 0.00 0.00 54.13 52.40 1qku s LEU 402 Cb -0.05 -1.93 0.11 0.00 0.03 0.00 0.00 46.19 44.35 1qku s LEU 402 CO 0.01 -0.13 1.82 -0.11 0.23 0.00 0.00 176.35 178.16 1qku n LEU 403 N 4.92 5.84 0.11 1.79 0.00 -1.26 -2.58 117.00 125.82 1qku n LEU 403 Ca -0.15 -4.26 -0.13 0.00 0.00 0.00 0.00 56.01 51.47 1qku n LEU 403 Cb 0.50 -1.64 -0.06 0.00 0.00 0.00 0.00 43.42 42.21 1qku n LEU 403 CO 0.32 0.78 0.63 -0.26 0.00 0.00 0.00 177.39 178.86 1qku h PHE 404 N 6.69 -0.98 -3.97 1.96 -1.00 -1.87 -3.43 116.94 114.34 1qku h PHE 404 Ca 0.44 0.02 -0.20 0.00 2.81 0.00 0.00 57.97 61.05 1qku h PHE 404 Cb 0.76 0.41 -0.16 0.00 3.61 0.00 0.00 35.95 40.58 1qku h PHE 404 CO 1.32 -0.46 -0.70 0.00 -1.61 0.00 0.00 178.31 176.87 1qku s ALA 405 N -5.98 0.73 0.57 2.45 0.00 -0.44 -4.99 121.76 114.10 1qku s ALA 405 Ca -0.16 -1.18 0.25 0.00 0.00 0.00 0.00 51.96 50.87 1qku s ALA 405 Cb 0.08 0.18 1.62 0.00 0.00 0.00 0.00 23.12 25.00 1qku s ALA 405 CO 0.64 -0.24 2.20 -1.35 0.00 0.00 0.00 175.76 177.01 1qku h PRO 406 N 3.34 0.00 0.00 0.00 0.11 -1.85 -1.51 132.00 132.09 1qku h PRO 406 Ca -0.35 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.67 1qku h PRO 406 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1qku h PRO 406 CO 0.60 0.00 -1.57 0.27 -0.21 0.00 0.00 178.00 177.09 1qku n ASN 407 N -4.08 0.51 -4.19 -2.05 0.23 -1.26 -4.74 115.26 99.68 1qku n ASN 407 Ca -0.02 0.21 -0.37 0.00 -0.53 0.00 0.00 54.58 53.86 1qku n ASN 407 Cb 0.12 0.89 -0.12 0.00 -2.08 0.00 0.00 39.78 38.59 1qku n ASN 407 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1qku s LEU 408 N -5.25 4.77 -0.21 -4.53 2.96 -0.57 -4.93 118.68 110.92 1qku s LEU 408 Ca -0.04 -1.59 0.01 0.00 -0.22 0.00 0.00 54.13 52.29 1qku s LEU 408 Cb 0.10 -1.85 0.04 0.00 0.50 0.00 0.00 46.19 44.99 1qku s LEU 408 CO 0.84 -0.44 -0.12 -0.22 -1.32 0.00 0.00 176.35 175.08 1qku s LEU 409 N 1.28 2.60 0.27 -0.68 1.98 -1.25 -1.33 118.68 121.54 1qku s LEU 409 Ca 0.02 -1.01 0.09 0.00 -2.89 0.00 0.00 54.13 50.34 1qku s LEU 409 Cb -0.22 -1.36 -0.04 0.00 0.66 0.00 0.00 46.19 45.23 1qku s LEU 409 CO -0.01 -0.14 0.06 -0.76 -1.89 0.00 0.00 176.35 173.61 1qku s LEU 410 N 1.30 3.35 0.40 -0.68 1.43 -1.07 -4.99 118.68 118.42 1qku s LEU 410 Ca -0.03 -0.56 0.04 0.00 -1.03 0.00 0.00 54.13 52.55 1qku s LEU 410 Cb -0.17 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 1qku s LEU 410 CO -0.08 -0.04 0.08 1.51 0.23 0.00 0.00 176.35 178.05 1qku s ASP 411 N -3.73 2.92 0.50 2.29 3.84 -1.26 -0.74 116.67 120.49 1qku s ASP 411 Ca 0.32 -1.55 0.36 0.00 -0.00 0.00 0.00 52.55 51.67 1qku s ASP 411 Cb -0.06 0.26 1.50 0.00 -1.38 0.00 0.00 42.92 43.23 1qku s ASP 411 CO 0.21 -0.78 1.70 -0.09 -0.00 0.00 0.00 175.17 176.21 1qku h ARG 412 N 1.83 0.08 0.32 2.11 1.12 -1.97 -2.36 114.38 115.51 1qku h ARG 412 Ca -0.39 -0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.46 1qku h ARG 412 Cb 1.27 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 31.21 1qku h ARG 412 CO 0.65 0.05 -0.15 -0.91 -3.11 0.00 0.00 179.97 176.50 1qku h ASN 413 N 0.08 -0.37 -1.13 -3.80 2.35 -1.95 -3.22 115.58 107.54 1qku h ASN 413 Ca 0.72 -0.03 0.41 0.00 -0.55 0.00 0.00 56.30 56.84 1qku h ASN 413 Cb 2.57 0.09 -0.15 0.00 0.05 0.00 0.00 38.32 40.88 1qku h ASN 413 CO -0.15 0.09 0.67 1.56 -1.65 0.00 0.00 177.43 177.96 1qku h GLN 414 N -1.09 0.10 -0.94 0.81 7.50 -1.83 1.72 115.11 121.38 1qku h GLN 414 Ca -0.04 -0.01 0.20 0.00 0.50 0.00 0.00 58.65 59.30 1qku h GLN 414 Cb 0.38 -0.02 -0.08 0.00 0.05 0.00 0.00 27.48 27.81 1qku h GLN 414 CO 0.07 0.07 0.61 0.78 -1.50 0.00 0.00 178.83 178.86 1qku h GLY 415 N 0.10 1.15 2.00 3.46 0.00 -1.53 0.33 103.07 108.59 1qku h GLY 415 Ca 0.82 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1qku h GLY 415 CO -0.60 -0.01 0.00 0.28 0.00 0.00 0.00 176.54 176.21 1qku n LYS 416 N -4.58 0.07 0.19 4.80 5.02 0.59 -2.16 118.16 122.10 1qku n LYS 416 Ca 0.20 0.40 0.14 0.00 -2.02 0.00 0.00 58.31 57.03 1qku n LYS 416 Cb 0.65 -1.67 0.64 0.00 -0.02 0.00 0.00 35.03 34.64 1qku n LYS 416 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qku s VAL 418 N -3.54 1.86 0.19 0.00 1.01 -0.92 -3.02 120.40 115.98 1qku s VAL 418 Ca 0.01 -1.04 -0.31 0.00 0.00 0.00 0.00 61.98 60.63 1qku s VAL 418 Cb 0.09 -1.55 -0.10 0.00 0.00 0.00 0.00 36.38 34.81 1qku s VAL 418 CO 0.39 0.49 1.56 -0.70 0.00 0.00 0.00 175.10 176.84 1qku s GLU 419 N -0.64 4.21 0.00 2.72 2.12 -1.26 -2.41 118.70 123.44 1qku s GLU 419 Ca 0.09 2.39 0.00 0.00 0.36 0.00 0.00 54.97 57.81 1qku s GLU 419 Cb -0.09 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.17 1qku s GLU 419 CO -0.00 -0.59 0.00 0.41 -0.54 0.00 0.00 175.26 174.54 1qku n GLY 420 N 3.39 1.22 0.37 -1.50 0.00 -1.26 -4.77 105.19 102.63 1qku n GLY 420 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 1qku n GLY 420 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1qku h MET 421 N 0.74 1.15 -0.06 1.61 -1.53 -1.70 -3.29 114.93 111.84 1qku h MET 421 Ca 0.00 -0.07 0.01 0.00 -3.44 0.00 0.00 59.70 56.20 1qku h MET 421 Cb 0.00 -0.26 -0.02 0.00 -0.55 0.00 0.00 31.60 30.77 1qku h MET 421 CO 0.00 0.76 -0.20 0.28 0.14 0.00 0.00 176.91 177.89 1qku h VAL 422 N 1.18 0.00 -1.00 -5.77 2.07 -1.71 -2.43 116.25 108.59 1qku h VAL 422 Ca 0.36 0.00 0.20 0.00 0.82 0.00 0.00 66.70 68.08 1qku h VAL 422 Cb -0.02 0.00 -0.19 0.00 -1.52 0.00 0.00 31.29 29.56 1qku h VAL 422 CO -0.10 0.00 -0.25 -0.33 0.02 0.00 0.00 177.57 176.91 1qku h GLU 423 N -0.20 -0.00 0.23 1.57 3.07 -1.95 0.25 114.58 117.54 1qku h GLU 423 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1qku h GLU 423 Cb 0.24 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1qku h GLU 423 CO -0.17 -0.00 -0.25 0.82 -1.40 0.00 0.00 179.01 178.02 1qku h ILE 424 N -0.00 0.47 -0.74 3.13 2.04 -1.62 -1.17 117.51 119.61 1qku h ILE 424 Ca 0.48 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.50 1qku h ILE 424 Cb 0.72 0.47 -0.13 0.00 -0.74 0.00 0.00 36.82 37.14 1qku h ILE 424 CO -1.02 0.00 -0.04 -0.26 0.00 0.00 0.00 178.15 176.83 1qku h PHE 425 N -0.51 -0.12 -0.19 1.37 -1.00 -0.09 0.21 116.94 116.60 1qku h PHE 425 Ca 0.00 0.06 0.02 0.00 2.81 0.00 0.00 57.97 60.86 1qku h PHE 425 Cb 0.48 0.17 -0.02 0.00 3.61 0.00 0.00 35.95 40.19 1qku h PHE 425 CO -0.17 -0.26 0.05 -0.44 -1.61 0.00 0.00 178.31 175.88 1qku h ASP 426 N 0.08 0.04 -0.91 2.17 3.32 -0.75 0.29 116.42 120.65 1qku h ASP 426 Ca 0.40 0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.55 1qku h ASP 426 Cb 0.68 0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.20 1qku h ASP 426 CO -0.68 0.05 0.59 0.24 -1.72 0.00 0.00 179.24 177.72 1qku h MET 427 N 0.13 0.96 -0.27 3.56 2.86 0.51 0.34 114.93 123.02 1qku h MET 427 Ca 0.08 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.52 1qku h MET 427 Cb 0.07 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 1qku h MET 427 CO -0.10 0.63 -0.42 -0.07 1.06 0.00 0.00 176.91 178.01 1qku h LEU 428 N 0.99 0.71 -0.44 1.22 3.38 -0.02 -1.42 115.31 119.73 1qku h LEU 428 Ca 0.41 -0.33 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 1qku h LEU 428 Cb 0.29 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1qku h LEU 428 CO -0.17 1.04 -0.41 -0.07 0.09 0.00 0.00 178.44 178.92 1qku h LEU 429 N 0.54 0.92 -0.06 1.67 3.38 0.86 0.40 115.31 123.03 1qku h LEU 429 Ca 0.04 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 1qku h LEU 429 Cb 0.96 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1qku h LEU 429 CO 0.09 1.21 0.03 0.00 0.09 0.00 0.00 178.44 179.86 1qku h ALA 430 N 0.83 0.07 -0.42 1.53 0.00 -0.26 0.96 119.26 121.97 1qku h ALA 430 Ca 0.05 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1qku h ALA 430 Cb 0.99 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1qku h ALA 430 CO 0.10 -0.39 0.05 1.15 0.00 0.00 0.00 179.25 180.16 1qku h THR 431 N -0.00 1.25 -0.22 0.00 2.02 -1.20 0.21 112.91 114.97 1qku h THR 431 Ca 0.02 -0.93 0.06 0.00 0.77 0.00 0.00 66.41 66.33 1qku h THR 431 Cb 0.08 1.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.46 1qku h THR 431 CO -0.00 0.32 -0.20 -1.28 0.37 0.00 0.00 175.52 174.72 1qku h SER 432 N 0.57 -0.65 0.38 4.18 0.87 0.22 -1.87 113.55 117.25 1qku h SER 432 Ca 0.13 0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 1qku h SER 432 Cb 0.41 0.31 -0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1qku h SER 432 CO 0.01 -0.25 -0.23 -1.28 -0.53 0.00 0.00 176.83 174.56 1qku h SER 433 N -0.22 -0.57 -0.90 6.23 0.87 0.12 -2.97 113.55 116.12 1qku h SER 433 Ca 0.13 0.03 0.22 0.00 -1.23 0.00 0.00 61.79 60.94 1qku h SER 433 Cb 0.41 0.17 -0.12 0.00 -0.44 0.00 0.00 62.40 62.41 1qku h SER 433 CO -0.34 -0.37 0.40 -0.09 -0.53 0.00 0.00 176.83 175.90 1qku h ARG 434 N -0.58 0.41 0.28 2.24 9.65 -0.25 -0.67 114.38 125.45 1qku h ARG 434 Ca -0.04 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1qku h ARG 434 Cb 0.48 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.94 1qku h ARG 434 CO 0.05 0.27 -0.29 0.74 2.80 0.00 0.00 179.97 183.54 1qku h PHE 435 N 0.42 -0.77 -0.97 2.20 0.05 -1.20 -2.14 116.94 114.53 1qku h PHE 435 Ca 0.56 0.01 0.19 0.00 3.82 0.00 0.00 57.97 62.54 1qku h PHE 435 Cb 1.04 0.30 -0.09 0.00 2.00 0.00 0.00 35.95 39.20 1qku h PHE 435 CO -0.13 -0.41 0.61 -0.09 -0.18 0.00 0.00 178.31 178.11 1qku h ARG 436 N -0.60 0.66 0.00 1.51 2.43 -1.07 0.14 114.38 117.45 1qku h ARG 436 Ca -0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1qku h ARG 436 Cb 0.55 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1qku h ARG 436 CO -0.07 0.44 0.00 1.98 -1.51 0.00 0.00 179.97 180.81 1qku h MET 437 N 0.68 0.00 -0.01 0.20 4.05 -0.62 -1.55 114.93 117.68 1qku h MET 437 Ca 0.54 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.96 1qku h MET 437 Cb 0.94 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.74 1qku h MET 437 CO -0.30 0.00 -0.48 -1.33 0.23 0.00 0.00 176.91 175.03 1qku n MET 438 N -3.03 1.47 -3.27 0.39 2.81 0.41 -4.99 117.12 110.92 1qku n MET 438 Ca -0.01 -0.67 -0.15 0.00 -1.81 0.00 0.00 57.70 55.05 1qku n MET 438 Cb 0.19 -1.34 0.08 0.00 -0.71 0.00 0.00 33.22 31.44 1qku n MET 438 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1qku n ASN 439 N -0.39 -4.80 -4.66 7.83 4.05 -0.58 -4.85 115.26 111.86 1qku n ASN 439 Ca 0.07 -0.65 -0.42 0.00 0.45 0.00 0.00 54.58 54.02 1qku n ASN 439 Cb 0.36 -5.04 -0.03 0.00 1.23 0.00 0.00 39.78 36.30 1qku n ASN 439 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 1qku s LEU 440 N -5.67 4.41 0.01 1.20 2.96 -1.11 -4.95 118.68 115.54 1qku s LEU 440 Ca 0.27 2.60 -0.24 0.00 -0.22 0.00 0.00 54.13 56.55 1qku s LEU 440 Cb -0.04 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.07 1qku s LEU 440 CO 0.71 -1.04 0.71 -1.10 -1.32 0.00 0.00 176.35 174.32 1qku s GLN 441 N 4.40 4.44 0.34 1.98 -1.52 -1.26 -4.94 119.66 123.10 1qku s GLN 441 Ca 0.86 0.95 0.26 0.00 -1.95 0.00 0.00 55.36 55.48 1qku s GLN 441 Cb -0.41 -3.37 1.15 0.00 -0.22 0.00 0.00 33.01 30.15 1qku s GLN 441 CO 0.40 0.27 1.18 0.41 -0.25 0.00 0.00 175.29 177.30 1qku n GLY 442 N 2.52 -0.65 0.18 3.09 0.00 -1.26 0.31 105.19 109.39 1qku n GLY 442 Ca -0.03 0.57 -0.12 0.00 0.00 0.00 0.00 46.02 46.44 1qku n GLY 442 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1qku h GLU 443 N 0.00 0.57 -0.55 1.61 3.07 -2.00 -2.90 114.58 114.37 1qku h GLU 443 Ca 0.67 -0.24 0.02 0.00 -0.50 0.00 0.00 59.36 59.31 1qku h GLU 443 Cb 2.21 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 30.06 1qku h GLU 443 CO -0.33 0.80 0.35 0.93 -1.40 0.00 0.00 179.01 179.36 1qku h GLU 444 N 0.32 0.69 0.00 2.33 5.08 -0.54 -2.60 114.58 119.86 1qku h GLU 444 Ca 0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1qku h GLU 444 Cb 0.61 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1qku h GLU 444 CO 0.04 0.45 0.00 0.34 -1.00 0.00 0.00 179.01 178.84 1qku n PHE 445 N -4.73 0.00 -0.08 4.33 7.35 -1.03 -0.56 117.46 122.74 1qku n PHE 445 Ca 0.04 0.00 0.26 0.00 -0.76 0.00 0.00 57.45 56.99 1qku n PHE 445 Cb 0.05 -0.49 0.67 0.00 0.35 0.00 0.00 39.48 40.07 1qku n PHE 445 CO 0.00 0.00 0.00 -0.39 -0.76 0.00 0.00 176.76 175.61 1qku h VAL 446 N 0.00 0.29 0.11 -2.13 -1.51 -1.46 0.82 116.25 112.37 1qku h VAL 446 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 1qku h VAL 446 Cb 0.00 0.44 0.00 0.00 -2.13 0.00 0.00 31.29 29.60 1qku h VAL 446 CO 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 177.57 176.29 1qku h LEU 448 N -0.64 -1.02 -0.90 0.00 3.38 0.30 0.35 115.31 116.78 1qku h LEU 448 Ca -0.01 0.10 0.18 0.00 0.09 0.00 0.00 57.88 58.24 1qku h LEU 448 Cb 0.50 0.36 -0.17 0.00 0.09 0.00 0.00 40.66 41.44 1qku h LEU 448 CO 0.02 -0.50 -0.20 0.50 0.09 0.00 0.00 178.44 178.36 1qku h LYS 449 N -0.72 0.00 -0.63 1.13 3.64 -0.72 0.34 116.57 119.62 1qku h LYS 449 Ca -0.01 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1qku h LYS 449 Cb 0.67 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1qku h LYS 449 CO -0.11 0.00 0.03 0.77 -2.27 0.00 0.00 179.45 177.88 1qku h SER 450 N 0.00 1.05 -0.56 4.20 0.02 -0.76 -2.72 113.55 114.79 1qku h SER 450 Ca 0.44 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1qku h SER 450 Cb 0.69 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 1qku h SER 450 CO -0.92 1.09 0.36 0.40 -1.14 0.00 0.00 176.83 176.62 1qku h ILE 451 N 0.99 1.15 -0.07 3.27 2.04 0.17 -2.22 117.51 122.84 1qku h ILE 451 Ca 0.18 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1qku h ILE 451 Cb 0.53 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1qku h ILE 451 CO 0.03 0.15 -0.02 0.40 0.00 0.00 0.00 178.15 178.71 1qku h ILE 452 N 0.77 1.30 -0.08 -0.67 2.04 -0.76 0.25 117.51 120.35 1qku h ILE 452 Ca 0.20 -0.95 0.02 0.00 1.00 0.00 0.00 64.86 65.14 1qku h ILE 452 Cb -0.06 1.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1qku h ILE 452 CO -0.04 0.26 0.16 0.25 0.00 0.00 0.00 178.15 178.78 1qku h LEU 453 N -0.20 0.00 0.00 1.44 5.85 -1.21 -2.39 115.31 118.80 1qku h LEU 453 Ca 0.02 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.42 1qku h LEU 453 Cb 0.43 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.40 1qku h LEU 453 CO 0.01 0.00 -2.19 0.18 -0.34 0.00 0.00 178.44 176.09 1qku n LEU 454 N -3.41 1.91 -0.05 2.25 4.77 -0.87 -4.67 117.00 116.94 1qku n LEU 454 Ca -0.01 -0.07 -0.01 0.00 -0.03 0.00 0.00 56.01 55.89 1qku n LEU 454 Cb 0.25 -0.33 -0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1qku n LEU 454 CO 0.22 0.70 -0.03 -1.13 -1.33 0.00 0.00 177.39 175.82 1qku h ASN 455 N 0.00 0.00 -0.94 -1.43 -1.24 -0.38 -3.42 115.58 108.17 1qku h ASN 455 Ca -0.47 -0.00 -0.71 0.00 0.71 0.00 0.00 56.30 55.83 1qku h ASN 455 Cb 1.85 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.88 1qku h ASN 455 CO -0.04 0.53 1.28 -1.20 -1.29 0.00 0.00 177.43 176.71 1qku n SER 456 N -4.76 1.87 -1.27 1.15 7.64 -0.91 -1.76 113.62 115.58 1qku n SER 456 Ca -0.01 0.62 -0.03 0.00 1.01 0.00 0.00 58.87 60.46 1qku n SER 456 Cb 0.03 -1.15 0.01 0.00 -1.01 0.00 0.00 64.21 62.09 1qku n SER 456 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qku n GLY 457 N 6.26 0.41 0.04 0.23 0.00 -1.26 -4.59 105.19 106.29 1qku n GLY 457 Ca 0.41 -0.43 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 1qku n GLY 457 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1qku n VAL 458 N -1.76 0.55 1.17 1.61 3.14 -0.72 -4.39 118.33 117.91 1qku n VAL 458 Ca -0.03 -0.32 0.12 0.00 -2.96 0.00 0.00 64.34 61.15 1qku n VAL 458 Cb 0.52 -0.80 0.63 0.00 -1.06 0.00 0.00 33.84 33.13 1qku n VAL 458 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 1qku n TYR 459 N -2.36 0.00 -1.39 1.45 4.02 -1.26 -3.30 117.16 114.31 1qku n TYR 459 Ca -0.14 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.74 1qku n TYR 459 Cb 0.75 -0.30 0.21 0.00 -0.02 0.00 0.00 39.34 39.97 1qku n TYR 459 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1qku n THR 460 N -1.30 2.49 -1.67 -0.72 -2.24 -1.26 -5.04 114.28 104.53 1qku n THR 460 Ca 0.11 -2.65 -0.45 0.00 -2.27 0.00 0.00 64.05 58.79 1qku n THR 460 Cb 0.21 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.10 1qku n THR 460 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1qku n PHE 461 N -1.06 2.18 -0.23 4.78 0.99 -1.21 -4.85 117.46 118.06 1qku n PHE 461 Ca 0.31 0.40 0.01 0.00 -0.00 0.00 0.00 57.45 58.17 1qku n PHE 461 Cb 0.99 -2.48 0.08 0.00 -1.00 0.00 0.00 39.48 37.08 1qku n PHE 461 CO 0.00 0.00 0.00 1.37 -0.00 0.00 0.00 176.76 178.13 1qku h LEU 462 N 4.55 -0.56 -9.46 4.37 8.10 -1.95 -3.37 115.31 116.99 1qku h LEU 462 Ca -0.45 0.20 -0.53 0.00 0.11 0.00 0.00 57.88 57.20 1qku h LEU 462 Cb 1.27 0.39 0.02 0.00 -0.44 0.00 0.00 40.66 41.91 1qku h LEU 462 CO 0.78 -0.21 1.00 -0.44 -4.11 0.00 0.00 178.44 175.46 1qku s SER 463 N -5.23 6.60 -0.00 0.17 0.01 -1.26 -4.80 113.70 109.19 1qku s SER 463 Ca -0.14 2.50 0.11 0.00 1.31 0.00 0.00 55.95 59.72 1qku s SER 463 Cb 0.20 -2.56 -0.13 0.00 0.21 0.00 0.00 66.02 63.73 1qku s SER 463 CO 0.74 -0.89 0.40 -1.54 0.41 0.00 0.00 173.24 172.36 1qku n SER 464 N 5.53 1.07 -4.75 2.44 3.41 -1.26 -4.71 113.62 115.35 1qku n SER 464 Ca 0.16 -0.54 -0.29 0.00 -0.26 0.00 0.00 58.87 57.94 1qku n SER 464 Cb 0.40 1.15 0.14 0.00 -0.26 0.00 0.00 64.21 65.64 1qku n SER 464 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1qku s THR 465 N -2.24 2.15 0.29 6.66 -4.23 -1.26 -4.92 115.64 112.10 1qku s THR 465 Ca 0.02 0.05 0.05 0.00 -1.18 0.00 0.00 61.69 60.62 1qku s THR 465 Cb 0.08 -2.72 0.29 0.00 1.34 0.00 0.00 72.50 71.49 1qku s THR 465 CO 0.45 -0.07 1.74 0.25 -0.54 0.00 0.00 174.62 176.45 1qku h LEU 466 N -1.57 0.57 -1.52 4.79 7.12 -2.02 -0.41 115.31 122.26 1qku h LEU 466 Ca -0.51 0.12 0.05 0.00 0.13 0.00 0.00 57.88 57.67 1qku h LEU 466 Cb 1.32 0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 41.46 1qku h LEU 466 CO 0.60 0.14 0.38 0.50 -0.13 0.00 0.00 178.44 179.94 1qku h LYS 467 N 0.58 0.58 0.00 1.25 3.64 -1.97 -1.88 116.57 118.77 1qku h LYS 467 Ca 0.57 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.90 1qku h LYS 467 Cb 0.97 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1qku h LYS 467 CO -0.44 0.38 -0.04 1.03 -2.27 0.00 0.00 179.45 178.11 1qku h SER 468 N 0.60 0.00 0.33 4.20 0.87 -1.35 -1.81 113.55 116.39 1qku h SER 468 Ca 0.24 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.50 1qku h SER 468 Cb 0.21 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.20 1qku h SER 468 CO -0.07 0.04 -1.32 -0.07 -0.53 0.00 0.00 176.83 174.87 1qku h LEU 469 N 0.00 0.73 0.53 2.23 -0.00 -1.44 -1.32 115.31 116.04 1qku h LEU 469 Ca -0.00 -0.74 -0.02 0.00 -0.00 0.00 0.00 57.88 57.13 1qku h LEU 469 Cb 0.25 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.67 1qku h LEU 469 CO 0.00 1.56 -0.39 -0.33 -0.00 0.00 0.00 178.44 179.29 1qku h GLU 470 N 0.17 -0.86 0.05 1.13 5.08 -1.36 -0.81 114.58 117.98 1qku h GLU 470 Ca -0.20 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1qku h GLU 470 Cb 2.02 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 31.44 1qku h GLU 470 CO 0.24 -0.58 -0.21 0.93 -1.00 0.00 0.00 179.01 178.40 1qku h GLU 471 N -0.90 -0.29 -1.41 2.33 4.39 -1.51 0.19 114.58 117.38 1qku h GLU 471 Ca -0.06 0.02 0.47 0.00 0.34 0.00 0.00 59.36 60.13 1qku h GLU 471 Cb 0.75 0.07 -0.13 0.00 -0.10 0.00 0.00 28.75 29.34 1qku h GLU 471 CO 0.02 -0.19 0.92 -0.22 -1.16 0.00 0.00 179.01 178.38 1qku h LYS 472 N -0.30 0.03 0.05 2.33 3.64 -1.23 0.61 116.57 121.70 1qku h LYS 472 Ca -0.00 -0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.13 1qku h LYS 472 Cb 0.30 -0.01 0.02 0.00 -0.41 0.00 0.00 32.23 32.14 1qku h LYS 472 CO -0.11 0.02 -0.98 0.22 -2.27 0.00 0.00 179.45 176.33 1qku h ASP 473 N 0.03 0.78 -0.01 4.20 3.58 0.41 -2.90 116.42 122.52 1qku h ASP 473 Ca 0.87 -0.79 0.01 0.00 0.42 0.00 0.00 57.03 57.54 1qku h ASP 473 Cb 2.83 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 43.63 1qku h ASP 473 CO -0.41 1.47 -0.04 -0.74 -2.88 0.00 0.00 179.24 176.64 1qku h HIS 474 N 0.18 -0.10 -0.13 0.28 2.76 0.31 -1.17 115.15 117.28 1qku h HIS 474 Ca -0.14 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.08 1qku h HIS 474 Cb 1.66 0.05 -0.05 0.00 1.55 0.00 0.00 27.41 30.62 1qku h HIS 474 CO 0.13 -0.07 -0.20 0.82 -1.30 0.00 0.00 177.93 177.31 1qku h ILE 475 N -0.07 0.50 -1.00 6.26 2.04 -1.40 0.36 117.51 124.20 1qku h ILE 475 Ca 0.02 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.09 1qku h ILE 475 Cb 0.10 0.50 -0.11 0.00 -0.74 0.00 0.00 36.82 36.57 1qku h ILE 475 CO -0.05 0.00 0.61 0.45 0.00 0.00 0.00 178.15 179.16 1qku h HIS 476 N -0.25 1.02 0.20 1.37 3.86 -1.25 0.28 115.15 120.38 1qku h HIS 476 Ca 0.10 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1qku h HIS 476 Cb 0.39 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.56 1qku h HIS 476 CO -0.31 0.17 -0.10 -0.09 0.86 0.00 0.00 177.93 178.46 1qku h ARG 477 N 0.68 -0.26 -0.34 2.45 2.43 0.21 -0.24 114.38 119.30 1qku h ARG 477 Ca 0.60 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.82 1qku h ARG 477 Cb 1.05 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 1qku h ARG 477 CO -0.41 0.04 0.13 0.28 -1.51 0.00 0.00 179.97 178.51 1qku h VAL 478 N -0.57 0.93 -0.39 0.20 2.07 0.17 -1.67 116.25 116.98 1qku h VAL 478 Ca -0.03 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.47 1qku h VAL 478 Cb 0.42 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 1qku h VAL 478 CO 0.05 0.05 -0.08 -0.07 0.02 0.00 0.00 177.57 177.54 1qku h LEU 479 N 0.29 -0.33 -1.07 2.57 3.38 -0.43 0.90 115.31 120.62 1qku h LEU 479 Ca 0.15 0.11 0.20 0.00 0.09 0.00 0.00 57.88 58.43 1qku h LEU 479 Cb 0.11 0.23 -0.10 0.00 0.09 0.00 0.00 40.66 40.98 1qku h LEU 479 CO -0.14 -0.11 0.61 0.44 0.09 0.00 0.00 178.44 179.33 1qku h ASP 480 N 0.02 0.74 -0.28 -0.43 3.32 -0.15 0.82 116.42 120.45 1qku h ASP 480 Ca 0.19 0.09 -0.19 0.00 0.02 0.00 0.00 57.03 57.15 1qku h ASP 480 Cb 0.29 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1qku h ASP 480 CO -0.39 0.25 -0.54 0.50 -1.72 0.00 0.00 179.24 177.35 1qku h LYS 481 N 0.71 0.88 -0.30 3.56 3.64 -0.25 -2.64 116.57 122.17 1qku h LYS 481 Ca 0.57 -0.55 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 1qku h LYS 481 Cb 0.96 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 1qku h LYS 481 CO -0.36 1.19 0.20 0.82 -2.27 0.00 0.00 179.45 179.03 1qku h ILE 482 N 0.67 0.96 -0.54 2.00 2.04 0.13 0.19 117.51 122.97 1qku h ILE 482 Ca 0.02 -0.07 -0.10 0.00 1.00 0.00 0.00 64.86 65.71 1qku h ILE 482 Cb 1.15 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1qku h ILE 482 CO 0.12 0.04 -0.05 0.74 0.00 0.00 0.00 178.15 179.00 1qku h THR 483 N 0.21 1.27 -0.52 -0.27 2.02 -0.80 -1.59 112.91 113.23 1qku h THR 483 Ca 0.13 -1.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.10 1qku h THR 483 Cb 0.26 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1qku h THR 483 CO -0.02 0.42 0.22 0.44 0.37 0.00 0.00 175.52 176.95 1qku h ASP 484 N 0.86 0.69 -0.20 4.18 3.32 -0.41 0.15 116.42 125.02 1qku h ASP 484 Ca 0.15 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.07 1qku h ASP 484 Cb 0.60 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1qku h ASP 484 CO 0.04 0.65 0.02 0.74 -1.72 0.00 0.00 179.24 178.98 1qku h THR 485 N 0.69 0.89 0.70 0.35 2.02 -0.86 0.29 112.91 116.99 1qku h THR 485 Ca 0.17 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.29 1qku h THR 485 Cb 0.16 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1qku h THR 485 CO -0.02 0.02 -0.38 -0.07 0.37 0.00 0.00 175.52 175.44 1qku h LEU 486 N 0.10 -0.94 -0.95 2.58 3.38 -0.90 0.70 115.31 119.28 1qku h LEU 486 Ca 0.09 0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.28 1qku h LEU 486 Cb 0.10 0.26 -0.10 0.00 0.09 0.00 0.00 40.66 41.01 1qku h LEU 486 CO -0.13 -0.62 0.55 0.40 0.09 0.00 0.00 178.44 178.72 1qku h ILE 487 N -1.00 0.72 0.82 1.22 1.08 -0.53 -1.75 117.51 118.06 1qku h ILE 487 Ca -0.09 -0.25 -0.04 0.00 -0.39 0.00 0.00 64.86 64.09 1qku h ILE 487 Cb 0.79 -0.07 0.01 0.00 -3.07 0.00 0.00 36.82 34.49 1qku h ILE 487 CO 0.12 0.13 -0.39 -0.74 -0.69 0.00 0.00 178.15 176.58 1qku h HIS 488 N 0.72 -1.02 -0.15 1.37 2.76 -0.09 -2.30 115.15 116.45 1qku h HIS 488 Ca 0.54 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.73 1qku h HIS 488 Cb 0.80 0.34 -0.01 0.00 1.55 0.00 0.00 27.41 30.09 1qku h HIS 488 CO -0.04 -0.63 0.62 -0.07 -1.30 0.00 0.00 177.93 176.51 1qku h LEU 489 N -1.13 0.00 0.01 0.26 3.38 -0.26 0.37 115.31 117.93 1qku h LEU 489 Ca -0.11 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.57 1qku h LEU 489 Cb 0.84 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 1qku h LEU 489 CO 0.18 0.00 -1.63 0.24 0.09 0.00 0.00 178.44 177.33 1qku h MET 490 N 0.00 0.02 0.01 1.13 2.86 -0.94 -3.34 114.93 114.66 1qku h MET 490 Ca 0.07 -0.03 -0.21 0.00 -2.06 0.00 0.00 59.70 57.47 1qku h MET 490 Cb 1.31 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.95 1qku h MET 490 CO -0.00 0.60 -0.99 0.00 1.06 0.00 0.00 176.91 177.58 1qku h ALA 491 N 0.95 0.38 0.00 6.32 0.00 0.19 -2.98 119.26 124.13 1qku h ALA 491 Ca -0.26 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1qku h ALA 491 Cb 1.98 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1qku h ALA 491 CO 0.09 1.19 0.00 1.17 0.00 0.00 0.00 179.25 181.70 1qku n LYS 492 N -3.40 0.37 -0.37 0.00 0.00 -0.25 0.03 118.16 114.53 1qku n LYS 492 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.30 1qku n LYS 492 Cb 0.92 -1.18 0.00 0.00 0.00 0.00 0.00 35.03 34.77 1qku n LYS 492 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1qku n ALA 493 N 0.28 1.74 -3.57 3.14 0.00 -1.13 -5.03 120.51 115.93 1qku n ALA 493 Ca 0.00 -0.61 -0.20 0.00 0.00 0.00 0.00 53.44 52.62 1qku n ALA 493 Cb 0.09 -0.26 0.07 0.00 0.00 0.00 0.00 19.45 19.35 1qku n ALA 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qku n GLY 494 N 0.00 -0.39 3.56 0.00 0.00 0.10 -4.99 105.19 103.48 1qku n GLY 494 Ca 0.00 0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1qku n GLY 494 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qku s LEU 495 N -6.70 4.27 0.24 0.99 1.43 -1.20 -5.03 118.68 112.68 1qku s LEU 495 Ca 0.17 -0.16 -0.28 0.00 -1.03 0.00 0.00 54.13 52.83 1qku s LEU 495 Cb -0.08 -2.19 -0.16 0.00 0.03 0.00 0.00 46.19 43.79 1qku s LEU 495 CO 0.76 -0.17 0.66 1.07 0.23 0.00 0.00 176.35 178.90 1qku n THR 496 N 5.11 1.97 -0.27 5.49 5.66 -1.26 -4.23 114.28 126.75 1qku n THR 496 Ca -0.12 -0.50 0.01 0.00 -3.05 0.00 0.00 64.05 60.39 1qku n THR 496 Cb 0.51 -0.32 0.05 0.00 -1.55 0.00 0.00 70.33 69.01 1qku n THR 496 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1qku n LEU 497 N 1.75 -0.40 -0.22 1.09 4.77 -1.26 0.25 117.00 122.98 1qku n LEU 497 Ca 0.15 1.23 0.03 0.00 -0.03 0.00 0.00 56.01 57.38 1qku n LEU 497 Cb 0.28 -0.31 0.12 0.00 -2.33 0.00 0.00 43.42 41.18 1qku n LEU 497 CO 0.57 -1.13 0.84 -0.61 -1.33 0.00 0.00 177.39 175.74 1qku h GLN 498 N 0.00 0.12 -0.94 3.23 4.15 -2.00 -0.45 115.11 119.23 1qku h GLN 498 Ca 0.27 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.69 1qku h GLN 498 Cb 0.45 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 28.07 1qku h GLN 498 CO -0.71 0.08 0.59 1.96 -1.93 0.00 0.00 178.83 178.82 1qku h GLN 499 N 0.13 1.25 -0.07 1.69 4.20 0.32 -0.71 115.11 121.91 1qku h GLN 499 Ca 0.36 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1qku h GLN 499 Cb 0.59 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 1qku h GLN 499 CO -0.57 0.86 0.04 1.96 -0.67 0.00 0.00 178.83 180.45 1qku h GLN 500 N 1.28 0.09 0.20 1.46 4.20 -0.35 0.22 115.11 122.21 1qku h GLN 500 Ca 0.34 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.04 1qku h GLN 500 Cb -0.10 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1qku h GLN 500 CO -0.07 0.06 -0.28 0.45 -0.67 0.00 0.00 178.83 178.32 1qku h HIS 501 N 0.09 -0.78 -0.49 2.96 3.86 -0.91 0.16 115.15 120.04 1qku h HIS 501 Ca 0.03 0.01 0.09 0.00 -1.16 0.00 0.00 60.37 59.34 1qku h HIS 501 Cb -0.00 0.31 -0.10 0.00 1.06 0.00 0.00 27.41 28.68 1qku h HIS 501 CO -0.08 -0.35 -0.32 1.96 0.86 0.00 0.00 177.93 180.00 1qku h GLN 502 N -0.50 -0.19 -0.26 2.45 4.20 -1.01 0.15 115.11 119.95 1qku h GLN 502 Ca -0.02 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1qku h GLN 502 Cb 0.45 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1qku h GLN 502 CO -0.07 -0.13 0.12 -0.09 -0.67 0.00 0.00 178.83 177.98 1qku h ARG 503 N -0.20 0.36 0.71 1.46 2.43 -0.41 0.26 114.38 118.98 1qku h ARG 503 Ca 0.20 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1qku h ARG 503 Cb 0.54 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1qku h ARG 503 CO -0.60 0.29 -0.43 1.25 -1.51 0.00 0.00 179.97 178.96 1qku h LEU 504 N 0.36 -1.09 -0.51 3.80 5.85 0.14 -1.34 115.31 122.51 1qku h LEU 504 Ca 0.09 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.98 1qku h LEU 504 Cb 0.05 0.32 -0.10 0.00 0.37 0.00 0.00 40.66 41.30 1qku h LEU 504 CO -0.01 -0.67 -0.15 0.00 -0.34 0.00 0.00 178.44 177.27 1qku h ALA 505 N -1.28 0.29 -0.92 1.25 0.00 -0.70 -0.66 119.26 117.24 1qku h ALA 505 Ca -0.09 0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.16 1qku h ALA 505 Cb 0.85 0.44 -0.10 0.00 0.00 0.00 0.00 17.79 18.98 1qku h ALA 505 CO 0.10 -0.47 0.52 1.96 0.00 0.00 0.00 179.25 181.36 1qku h GLN 506 N -0.03 0.71 0.04 0.00 4.20 -0.74 0.40 115.11 119.69 1qku h GLN 506 Ca 0.25 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.91 1qku h GLN 506 Cb 0.41 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1qku h GLN 506 CO -0.54 0.47 -0.02 -0.07 -0.67 0.00 0.00 178.83 178.00 1qku h LEU 507 N 0.73 -0.04 -1.90 1.46 3.38 -0.00 -3.07 115.31 115.86 1qku h LEU 507 Ca 0.50 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1qku h LEU 507 Cb 0.70 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1qku h LEU 507 CO -0.35 0.50 0.18 -0.07 0.09 0.00 0.00 178.44 178.79 1qku h LEU 508 N -0.61 0.11 -1.17 1.67 3.38 -0.60 -0.42 115.31 117.67 1qku h LEU 508 Ca -0.01 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1qku h LEU 508 Cb 0.55 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1qku h LEU 508 CO 0.01 0.07 -0.17 -0.07 0.09 0.00 0.00 178.44 178.37 1qku h LEU 509 N 0.13 0.00 -0.50 1.67 3.38 -0.16 -2.35 115.31 117.48 1qku h LEU 509 Ca 0.11 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 1qku h LEU 509 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1qku h LEU 509 CO -0.01 0.17 -0.40 0.40 0.09 0.00 0.00 178.44 178.68 1qku h ILE 510 N 0.00 1.28 -0.01 1.22 1.08 -0.98 -2.55 117.51 117.56 1qku h ILE 510 Ca -0.00 -1.58 0.00 0.00 -0.39 0.00 0.00 64.86 62.89 1qku h ILE 510 Cb 0.70 1.46 -0.00 0.00 -3.07 0.00 0.00 36.82 35.91 1qku h ILE 510 CO 0.02 0.52 0.20 -0.07 -0.69 0.00 0.00 178.15 178.13 1qku h LEU 511 N 0.64 0.00 0.09 1.44 3.38 -1.32 0.14 115.31 119.68 1qku h LEU 511 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1qku h LEU 511 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1qku h LEU 511 CO 0.09 0.00 -0.04 -1.28 0.09 0.00 0.00 178.44 177.30 1qku h SER 512 N 0.00 -0.10 -0.61 -0.43 0.87 -1.48 -2.00 113.55 109.80 1qku h SER 512 Ca 0.00 -0.45 0.01 0.00 -1.23 0.00 0.00 61.79 60.12 1qku h SER 512 Cb 0.40 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 1qku h SER 512 CO -0.00 0.43 0.40 -0.74 -0.53 0.00 0.00 176.83 176.40 1qku h HIS 513 N -0.68 0.77 0.06 2.24 -0.00 -0.87 -1.47 115.15 115.20 1qku h HIS 513 Ca -0.01 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.39 1qku h HIS 513 Cb 0.54 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.67 1qku h HIS 513 CO 0.10 0.48 -0.11 0.82 -0.00 0.00 0.00 177.93 179.21 1qku h ILE 514 N 0.82 0.73 -0.78 6.26 2.04 -1.07 0.31 117.51 125.82 1qku h ILE 514 Ca 0.22 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.27 1qku h ILE 514 Cb -0.09 0.73 -0.12 0.00 -0.74 0.00 0.00 36.82 36.59 1qku h ILE 514 CO -0.05 0.00 0.18 -0.09 0.00 0.00 0.00 178.15 178.19 1qku h ARG 515 N -0.23 0.23 0.24 2.37 1.12 -0.96 0.16 114.38 117.32 1qku h ARG 515 Ca 0.02 -0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 58.87 1qku h ARG 515 Cb 0.25 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.16 1qku h ARG 515 CO -0.07 0.15 -0.12 1.25 -3.11 0.00 0.00 179.97 178.08 1qku h HIS 516 N 0.24 -0.30 -0.08 2.20 2.76 -0.02 -1.73 115.15 118.21 1qku h HIS 516 Ca 0.45 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.64 1qku h HIS 516 Cb 0.82 0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.88 1qku h HIS 516 CO -0.28 -0.15 0.07 0.52 -1.30 0.00 0.00 177.93 176.78 1qku h MET 517 N -0.37 0.00 -0.30 5.26 2.86 0.13 -1.07 114.93 121.43 1qku h MET 517 Ca -0.03 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.48 1qku h MET 517 Cb 0.28 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 1qku h MET 517 CO 0.05 0.00 -0.32 1.03 1.06 0.00 0.00 176.91 178.73 1qku h SER 518 N 0.00 0.81 0.42 1.22 0.87 -0.13 0.80 113.55 117.55 1qku h SER 518 Ca 0.04 -0.48 -0.02 0.00 -1.23 0.00 0.00 61.79 60.10 1qku h SER 518 Cb 0.17 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.91 1qku h SER 518 CO -0.00 1.12 -0.20 0.78 -0.53 0.00 0.00 176.83 178.00 1qku h ASN 519 N 0.51 -0.48 -0.39 6.23 2.35 -0.36 -0.38 115.58 123.06 1qku h ASN 519 Ca 0.05 -0.09 0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1qku h ASN 519 Cb 0.90 0.12 -0.04 0.00 0.05 0.00 0.00 38.32 39.36 1qku h ASN 519 CO 0.08 -0.18 0.18 0.11 -1.65 0.00 0.00 177.43 175.97 1qku h LYS 520 N -0.78 0.36 0.00 0.81 1.79 -1.41 -1.48 116.57 115.86 1qku h LYS 520 Ca -0.06 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.36 1qku h LYS 520 Cb 0.54 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1qku h LYS 520 CO 0.09 0.24 -0.13 0.78 -1.08 0.00 0.00 179.45 179.35 1qku h GLY 521 N 0.37 0.00 1.01 3.86 0.00 -0.79 -1.64 103.07 105.87 1qku h GLY 521 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.29 1qku h GLY 521 CO -0.13 0.00 -0.83 1.98 0.00 0.00 0.00 176.54 177.56 1qku h MET 522 N 0.00 0.57 -0.86 4.80 1.85 -0.10 -2.22 114.93 118.97 1qku h MET 522 Ca -0.00 -0.61 0.02 0.00 -0.61 0.00 0.00 59.70 58.50 1qku h MET 522 Cb 0.33 0.17 -0.04 0.00 0.43 0.00 0.00 31.60 32.49 1qku h MET 522 CO 0.02 1.22 0.57 0.93 -0.40 0.00 0.00 176.91 179.25 1qku h GLU 523 N 0.17 1.10 0.95 0.39 4.39 -0.81 -1.52 114.58 119.24 1qku h GLU 523 Ca -0.10 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.49 1qku h GLU 523 Cb 1.50 -0.25 0.01 0.00 -0.10 0.00 0.00 28.75 29.91 1qku h GLU 523 CO 0.16 0.73 -0.49 1.25 -1.16 0.00 0.00 179.01 179.50 1qku h HIS 524 N 1.13 -1.28 -0.91 4.33 2.76 -1.24 -1.91 115.15 118.04 1qku h HIS 524 Ca 0.32 -0.02 0.17 0.00 -2.20 0.00 0.00 60.37 58.64 1qku h HIS 524 Cb -0.08 0.43 -0.10 0.00 1.55 0.00 0.00 27.41 29.21 1qku h HIS 524 CO -0.00 -0.77 0.49 1.25 -1.30 0.00 0.00 177.93 177.60 1qku h LEU 525 N -1.31 0.59 -0.80 0.26 5.85 -1.09 0.34 115.31 119.16 1qku h LEU 525 Ca -0.13 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.75 1qku h LEU 525 Cb 1.02 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.99 1qku h LEU 525 CO 0.19 0.22 0.49 0.22 -0.34 0.00 0.00 178.44 179.22 1qku h TYR 526 N 0.65 0.90 0.05 1.25 5.03 -1.06 -1.54 116.97 122.26 1qku h TYR 526 Ca 0.51 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.85 1qku h TYR 526 Cb 0.77 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 38.76 1qku h TYR 526 CO -0.07 0.46 -0.02 1.03 -1.32 0.00 0.00 178.16 178.24 1qku h SER 527 N 0.90 -0.06 -0.61 -2.11 0.87 0.46 -1.09 113.55 111.91 1qku h SER 527 Ca 0.35 -0.01 0.11 0.00 -1.23 0.00 0.00 61.79 61.01 1qku h SER 527 Cb 0.16 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 1qku h SER 527 CO -0.17 -0.03 0.41 0.24 -0.53 0.00 0.00 176.83 176.75 1qku h MET 528 N -0.07 0.38 0.00 2.24 2.86 -0.88 0.31 114.93 119.77 1qku h MET 528 Ca -0.01 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.50 1qku h MET 528 Cb 0.06 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1qku h MET 528 CO 0.01 0.25 -0.52 -0.22 1.06 0.00 0.00 176.91 177.49 1qku h LYS 529 N 0.39 0.00 0.00 1.72 3.64 -0.60 -2.01 116.57 119.71 1qku h LYS 529 Ca 0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1qku h LYS 529 Cb 0.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1qku h LYS 529 CO -0.08 0.52 0.00 0.00 -2.27 0.00 0.00 179.45 177.62 1qku n LYS 531 N -2.07 2.29 -3.50 0.00 5.02 -0.57 -4.98 118.16 114.35 1qku n LYS 531 Ca 0.06 -2.10 -0.24 0.00 -2.02 0.00 0.00 58.31 54.00 1qku n LYS 531 Cb 0.39 -1.45 0.06 0.00 -0.02 0.00 0.00 35.03 34.00 1qku n LYS 531 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1qku n ASN 532 N 1.28 -5.71 0.00 4.39 3.02 -0.96 -4.89 115.26 112.38 1qku n ASN 532 Ca 0.17 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 1qku n ASN 532 Cb 0.55 -4.20 0.00 0.00 -0.61 0.00 0.00 39.78 35.52 1qku n ASN 532 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1qku n VAL 533 N -3.78 0.00 -3.23 2.41 0.31 -0.80 -5.03 118.33 108.21 1qku n VAL 533 Ca -0.09 -0.09 -0.39 0.00 -0.01 0.00 0.00 64.34 63.76 1qku n VAL 533 Cb 0.61 0.53 -0.06 0.00 -0.91 0.00 0.00 33.84 34.01 1qku n VAL 533 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1qku s VAL 534 N -1.43 4.97 0.92 2.52 0.11 -1.24 -4.48 120.40 121.77 1qku s VAL 534 Ca 0.00 1.19 -0.11 0.00 -2.93 0.00 0.00 61.98 60.12 1qku s VAL 534 Cb 0.00 -3.91 0.15 0.00 -1.53 0.00 0.00 36.38 31.09 1qku s VAL 534 CO 0.00 0.40 1.09 -2.84 -3.33 0.00 0.00 175.10 170.43 1qku s PRO 535 N -0.07 1.02 -1.24 1.54 0.02 -1.26 -4.91 135.00 130.11 1qku s PRO 535 Ca 0.30 0.96 -0.12 0.00 0.02 0.00 0.00 61.00 62.16 1qku s PRO 535 Cb -0.18 -1.77 0.17 0.00 0.02 0.00 0.00 34.50 32.74 1qku s PRO 535 CO 0.16 -2.44 1.60 1.28 -0.33 0.00 0.00 177.00 177.26 1qku n LEU 536 N -4.04 5.70 -4.35 -5.54 4.32 -1.26 -4.92 117.00 106.91 1qku n LEU 536 Ca 0.07 -4.51 -0.46 0.00 -0.02 0.00 0.00 56.01 51.09 1qku n LEU 536 Cb 0.54 -1.58 -0.03 0.00 -1.62 0.00 0.00 43.42 40.74 1qku n LEU 536 CO 0.55 0.93 0.49 -0.31 -1.22 0.00 0.00 177.39 177.83 1qku s TYR 537 N 1.24 3.52 0.39 -1.77 4.12 -1.26 -4.95 117.35 118.64 1qku s TYR 537 Ca 0.42 -1.71 0.21 0.00 0.02 0.00 0.00 57.07 56.01 1qku s TYR 537 Cb 0.02 -3.92 1.22 0.00 -1.52 0.00 0.00 41.96 37.76 1qku s TYR 537 CO 0.00 -1.11 1.67 0.38 0.02 0.00 0.00 175.55 176.52 1qku h ASP 538 N 8.22 0.40 0.15 2.29 -0.00 -1.96 0.56 116.42 126.07 1qku h ASP 538 Ca 0.03 0.15 -0.01 0.00 -0.00 0.00 0.00 57.03 57.20 1qku h ASP 538 Cb 1.05 0.11 0.00 0.00 -0.00 0.00 0.00 39.33 40.49 1qku h ASP 538 CO 0.88 -0.11 -0.07 0.25 -0.00 0.00 0.00 179.24 180.19 1qku h LEU 539 N 0.25 -0.17 -0.79 0.15 6.46 -1.93 0.33 115.31 119.60 1qku h LEU 539 Ca 0.73 -0.31 0.03 0.00 -0.12 0.00 0.00 57.88 58.21 1qku h LEU 539 Cb 1.97 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 41.89 1qku h LEU 539 CO -0.47 0.24 0.51 0.25 -0.62 0.00 0.00 178.44 178.35 1qku h LEU 540 N -0.61 0.86 -1.66 2.25 5.85 -1.51 -1.32 115.31 119.16 1qku h LEU 540 Ca -0.02 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1qku h LEU 540 Cb 0.46 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1qku h LEU 540 CO 0.03 0.60 0.09 -0.07 -0.34 0.00 0.00 178.44 178.76 1qku h LEU 541 N 1.01 0.28 -0.03 2.25 -0.00 0.18 -2.61 115.31 116.39 1qku h LEU 541 Ca 0.31 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 58.16 1qku h LEU 541 Cb -0.03 -0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 40.56 1qku h LEU 541 CO -0.10 0.26 -0.04 -0.08 -0.00 0.00 0.00 178.44 178.48 1qku h GLU 542 N 0.32 0.07 0.00 1.13 4.81 0.16 0.11 114.58 121.19 1qku h GLU 542 Ca 0.08 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1qku h GLU 542 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1qku h GLU 542 CO -0.01 0.59 0.00 -1.33 -0.73 0.00 0.00 179.01 177.53 1qku n MET 543 N -4.76 0.34 -0.08 1.92 2.81 -0.75 -2.13 117.12 114.47 1qku n MET 543 Ca -0.08 0.05 -0.15 0.00 -1.81 0.00 0.00 57.70 55.70 1qku n MET 543 Cb 0.30 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.25 1qku n MET 543 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1qku n LEU 544 N -1.08 1.45 0.00 4.03 7.94 -1.00 -4.27 117.00 124.06 1qku n LEU 544 Ca 0.09 0.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.13 1qku n LEU 544 Cb 0.06 -0.46 0.03 0.00 0.53 0.00 0.00 43.42 43.57 1qku n LEU 544 CO 0.08 0.40 0.22 0.47 -1.11 0.00 0.00 177.39 177.44 1qku n ASP 545 N -3.54 0.00 -0.01 1.96 10.43 0.38 -1.37 116.55 124.40 1qku n ASP 545 Ca -0.29 -0.72 0.02 0.00 2.57 0.00 0.00 54.79 56.36 1qku n ASP 545 Cb 0.73 0.00 -0.12 0.00 1.84 0.00 0.00 41.12 43.56 1qku n ASP 545 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1qku n ALA 546 N -0.54 2.17 0.89 2.24 0.00 -0.91 -4.09 120.51 120.28 1qku n ALA 546 Ca 0.01 -0.70 0.12 0.00 0.00 0.00 0.00 53.44 52.87 1qku n ALA 546 Cb 0.00 -0.71 0.30 0.00 0.00 0.00 0.00 19.45 19.04 1qku n ALA 546 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1qku n HIS 547 N -2.63 0.15 -0.69 0.00 8.25 -0.47 -4.92 115.22 114.91 1qku n HIS 547 Ca -0.13 0.04 -0.02 0.00 -0.26 0.00 0.00 57.72 57.35 1qku n HIS 547 Cb 0.80 -0.40 -0.01 0.00 1.12 0.00 0.00 29.99 31.50 1qku n HIS 547 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1qku n ARG 548 N -1.66 -1.83 -1.70 -0.41 1.74 -1.25 -4.80 116.66 106.75 1qku n ARG 548 Ca 0.05 0.34 -0.56 0.00 -0.77 0.00 0.00 57.85 56.91 1qku n ARG 548 Cb 0.36 -4.01 -0.07 0.00 -1.02 0.00 0.00 32.46 27.72 1qku n ARG 548 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1qku n LEU 549 N -0.38 2.55 0.00 0.55 -0.00 -1.26 -5.15 117.00 113.31 1qku n LEU 549 Ca -0.02 1.04 0.00 0.00 -0.00 0.00 0.00 56.01 57.03 1qku n LEU 549 Cb 0.28 -1.18 0.00 0.00 -0.00 0.00 0.00 43.42 42.52 1qku n LEU 549 CO 0.04 -0.37 0.00 1.41 -0.00 0.00 0.00 177.39 178.47