#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qyk s MET 289 N 0.00 3.29 -0.51 1.57 0.00 -1.26 -5.06 119.30 117.33 2qyk s MET 289 Ca 0.00 -0.68 -0.22 0.00 0.00 0.00 0.00 55.69 54.79 2qyk s MET 289 Cb 0.00 -2.87 0.04 0.00 0.00 0.00 0.00 34.83 32.00 2qyk s MET 289 CO 0.00 0.51 0.80 1.21 0.00 0.00 0.00 175.02 177.54 2qyk s ASN 290 N -3.22 6.33 -0.30 -1.18 3.84 -1.26 -4.96 114.94 114.19 2qyk s ASN 290 Ca 0.34 -0.44 -0.29 0.00 0.21 0.00 0.00 52.86 52.68 2qyk s ASN 290 Cb -0.11 -2.38 -0.02 0.00 -0.55 0.00 0.00 41.25 38.20 2qyk s ASN 290 CO 0.27 -1.03 1.66 -0.63 -2.79 0.00 0.00 177.10 174.58 2qyk s ILE 291 N 3.36 3.63 0.80 -5.21 -1.09 -1.26 -5.00 121.20 116.43 2qyk s ILE 291 Ca 0.26 0.67 -0.14 0.00 -2.23 0.00 0.00 60.65 59.21 2qyk s ILE 291 Cb -0.14 -3.76 0.07 0.00 -1.58 0.00 0.00 42.46 37.05 2qyk s ILE 291 CO 0.18 -0.42 1.16 -2.65 -1.23 0.00 0.00 174.94 171.98 2qyk n PRO 292 N 8.07 0.25 -0.21 2.79 -0.02 -1.26 -4.87 135.00 139.74 2qyk n PRO 292 Ca 0.20 0.16 -0.05 0.00 -2.02 0.00 0.00 63.50 61.79 2qyk n PRO 292 Cb 0.46 -2.40 0.01 0.00 -0.02 0.00 0.00 33.50 31.55 2qyk n PRO 292 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2qyk h ARG 293 N -0.78 -0.14 -0.93 -0.52 2.43 -1.95 -0.98 114.38 111.51 2qyk h ARG 293 Ca -0.47 0.01 -0.48 0.00 -0.81 0.00 0.00 59.98 58.23 2qyk h ARG 293 Cb 1.30 0.03 -0.29 0.00 -0.42 0.00 0.00 29.97 30.60 2qyk h ARG 293 CO 0.46 -0.09 0.57 1.19 -1.51 0.00 0.00 179.97 180.59 2qyk n PHE 294 N -5.44 2.86 0.00 2.20 3.72 -1.26 -4.91 117.46 114.63 2qyk n PHE 294 Ca 0.05 -1.82 0.00 0.00 -0.05 0.00 0.00 57.45 55.63 2qyk n PHE 294 Cb 0.36 -0.90 0.00 0.00 -0.94 0.00 0.00 39.48 38.00 2qyk n PHE 294 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qyk n GLY 295 N -1.14 2.81 3.14 1.37 0.00 -0.37 -4.57 105.19 106.43 2qyk n GLY 295 Ca 0.57 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.50 2qyk n GLY 295 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qyk s VAL 296 N -1.37 0.39 0.20 1.61 -7.23 -1.26 -4.59 120.40 108.14 2qyk s VAL 296 Ca 0.00 -1.88 -0.30 0.00 -1.81 0.00 0.00 61.98 57.99 2qyk s VAL 296 Cb 0.00 -1.72 -0.08 0.00 0.56 0.00 0.00 36.38 35.15 2qyk s VAL 296 CO 0.00 -0.82 1.00 -0.75 -0.31 0.00 0.00 175.10 174.22 2qyk s LYS 297 N -3.91 4.73 -0.09 4.82 2.20 -1.26 -4.67 119.74 121.55 2qyk s LYS 297 Ca 0.13 1.58 -0.21 0.00 -0.36 0.00 0.00 55.97 57.10 2qyk s LYS 297 Cb 0.07 -3.29 0.05 0.00 -1.51 0.00 0.00 37.83 33.15 2qyk s LYS 297 CO -0.05 0.30 0.51 -0.08 -0.36 0.00 0.00 175.35 175.66 2qyk s THR 298 N -0.67 0.02 -1.99 3.43 -1.32 -1.26 -4.47 115.64 109.38 2qyk s THR 298 Ca 0.45 -0.16 0.16 0.00 -1.21 0.00 0.00 61.69 60.93 2qyk s THR 298 Cb -0.27 -0.78 0.14 0.00 -1.51 0.00 0.00 72.50 70.07 2qyk s THR 298 CO 0.33 -0.09 1.02 0.47 -2.21 0.00 0.00 174.62 174.15 2qyk n ASP 299 N 1.68 2.36 -2.53 8.08 8.00 -1.26 -4.35 116.55 128.52 2qyk n ASP 299 Ca -0.18 -1.68 -0.25 0.00 0.71 0.00 0.00 54.79 53.39 2qyk n ASP 299 Cb 0.56 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 2qyk n ASP 299 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qyk n GLN 300 N 0.91 3.15 -0.36 -1.24 6.02 -1.26 -4.90 117.38 119.70 2qyk n GLN 300 Ca 0.10 -4.39 -0.01 0.00 -0.01 0.00 0.00 57.00 52.69 2qyk n GLN 300 Cb 0.40 -2.14 0.12 0.00 1.02 0.00 0.00 30.24 29.65 2qyk n GLN 300 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 2qyk h GLU 301 N 2.65 1.22 -0.14 -1.09 4.81 -1.84 -1.97 114.58 118.23 2qyk h GLU 301 Ca 0.24 -0.07 -0.18 0.00 -0.13 0.00 0.00 59.36 59.22 2qyk h GLU 301 Cb 0.92 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 2qyk h GLU 301 CO 0.81 0.81 -0.66 0.93 -0.73 0.00 0.00 179.01 180.16 2qyk h GLU 302 N 1.26 0.54 -0.51 1.92 4.39 -1.97 -0.45 114.58 119.76 2qyk h GLU 302 Ca 0.37 -0.40 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 2qyk h GLU 302 Cb -0.07 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2qyk h GLU 302 CO -0.10 1.02 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.68 2qyk h LEU 303 N 0.39 0.85 -0.23 1.33 3.38 -1.93 -1.60 115.31 117.50 2qyk h LEU 303 Ca -0.02 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 2qyk h LEU 303 Cb 1.24 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2qyk h LEU 303 CO 0.12 0.93 -0.14 0.25 0.09 0.00 0.00 178.44 179.69 2qyk h LEU 304 N 0.81 0.53 -0.84 1.67 5.85 -1.25 -2.32 115.31 119.75 2qyk h LEU 304 Ca 0.15 -0.43 0.12 0.00 0.84 0.00 0.00 57.88 58.56 2qyk h LEU 304 Cb 0.51 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.31 2qyk h LEU 304 CO 0.03 0.84 0.45 0.00 -0.34 0.00 0.00 178.44 179.42 2qyk h ALA 305 N 0.70 1.24 -0.18 1.25 0.00 -0.82 0.21 119.26 121.66 2qyk h ALA 305 Ca 0.05 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2qyk h ALA 305 Cb 0.66 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2qyk h ALA 305 CO 0.04 -0.01 0.07 0.37 0.00 0.00 0.00 179.25 179.73 2qyk h GLN 306 N 0.70 0.27 -0.78 0.00 4.15 -1.15 -2.80 115.11 115.50 2qyk h GLN 306 Ca 0.44 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.78 2qyk h GLN 306 Cb 0.53 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.14 2qyk h GLN 306 CO -0.31 0.35 0.38 0.93 -1.93 0.00 0.00 178.83 178.24 2qyk h GLU 307 N 0.14 1.12 0.00 1.69 4.39 -0.70 -2.08 114.58 119.14 2qyk h GLU 307 Ca 0.06 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2qyk h GLU 307 Cb 0.17 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 2qyk h GLU 307 CO -0.00 0.86 0.00 1.28 -1.16 0.00 0.00 179.01 179.99 2qyk n LEU 308 N -4.37 0.07 0.20 1.33 4.77 0.63 -1.72 117.00 117.90 2qyk n LEU 308 Ca 0.07 0.53 0.14 0.00 -0.03 0.00 0.00 56.01 56.72 2qyk n LEU 308 Cb 0.13 -0.53 0.65 0.00 -2.33 0.00 0.00 43.42 41.35 2qyk n LEU 308 CO 0.39 -0.43 0.93 -0.33 -1.33 0.00 0.00 177.39 176.62 2qyk h GLU 309 N 0.00 0.00 -0.57 3.23 5.08 -1.12 -1.58 114.58 119.61 2qyk h GLU 309 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2qyk h GLU 309 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2qyk h GLU 309 CO 0.00 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.10 2qyk n ASN 310 N -2.55 4.70 -0.32 1.42 3.02 -0.70 -4.67 115.26 116.16 2qyk n ASN 310 Ca 0.00 -2.55 0.19 0.00 -0.03 0.00 0.00 54.58 52.20 2qyk n ASN 310 Cb 0.19 -0.57 0.40 0.00 -0.61 0.00 0.00 39.78 39.19 2qyk n ASN 310 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2qyk h LEU 311 N 3.68 0.26 -2.65 3.41 5.85 -1.46 0.14 115.31 124.55 2qyk h LEU 311 Ca 0.00 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2qyk h LEU 311 Cb 1.48 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.72 2qyk h LEU 311 CO 0.25 -0.17 0.00 0.59 -0.34 0.00 0.00 178.44 178.78 2qyk n ASN 312 N -5.15 4.03 -4.55 1.25 3.02 -1.26 -4.86 115.26 107.74 2qyk n ASN 312 Ca 0.28 -2.35 -0.30 0.00 -0.03 0.00 0.00 54.58 52.18 2qyk n ASN 312 Cb 0.87 -0.52 -0.10 0.00 -0.61 0.00 0.00 39.78 39.41 2qyk n ASN 312 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2qyk s LYS 313 N -1.76 2.02 0.45 3.52 1.02 0.50 -4.84 119.74 120.64 2qyk s LYS 313 Ca 0.43 -1.08 0.22 0.00 0.02 0.00 0.00 55.97 55.57 2qyk s LYS 313 Cb 0.27 -2.24 1.07 0.00 -0.52 0.00 0.00 37.83 36.40 2qyk s LYS 313 CO 0.21 0.50 1.92 2.35 -0.92 0.00 0.00 175.35 179.41 2qyk h TRP 314 N 3.64 0.00 0.00 3.18 2.91 -1.92 -2.74 115.95 121.02 2qyk h TRP 314 Ca -0.49 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.53 2qyk h TRP 314 Cb 1.17 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.82 2qyk h TRP 314 CO 0.60 0.23 0.00 0.41 -1.03 0.00 0.00 178.44 178.66 2qyk n GLY 315 N -0.32 -1.13 3.61 2.65 0.00 -1.26 -4.87 105.19 103.86 2qyk n GLY 315 Ca -0.01 -0.08 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 2qyk n GLY 315 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qyk n LEU 316 N -1.41 2.14 -4.20 0.99 -0.00 -1.04 -4.93 117.00 108.54 2qyk n LEU 316 Ca 0.07 1.18 -0.40 0.00 -0.00 0.00 0.00 56.01 56.86 2qyk n LEU 316 Cb 0.22 -1.33 -0.09 0.00 -0.00 0.00 0.00 43.42 42.23 2qyk n LEU 316 CO 0.18 -1.21 -0.01 0.21 -0.00 0.00 0.00 177.39 176.56 2qyk s ASN 317 N -0.48 5.68 0.50 1.96 3.84 -1.26 -4.94 114.94 120.24 2qyk s ASN 317 Ca 0.59 -2.01 0.20 0.00 0.21 0.00 0.00 52.86 51.86 2qyk s ASN 317 Cb -0.68 -2.00 1.27 0.00 -0.55 0.00 0.00 41.25 39.30 2qyk s ASN 317 CO 0.60 -0.66 2.07 -0.29 -2.79 0.00 0.00 177.10 176.02 2qyk h ILE 318 N 6.06 0.87 -0.69 -5.21 6.09 -1.98 -2.26 117.51 120.39 2qyk h ILE 318 Ca -0.18 -0.46 -0.05 0.00 -1.37 0.00 0.00 64.86 62.80 2qyk h ILE 318 Cb 1.06 1.26 -0.03 0.00 0.47 0.00 0.00 36.82 39.59 2qyk h ILE 318 CO 0.84 0.12 0.22 -0.26 -3.07 0.00 0.00 178.15 176.00 2qyk h PHE 319 N 0.00 1.10 -0.37 2.19 0.04 -1.97 -1.02 116.94 116.92 2qyk h PHE 319 Ca -0.00 -0.11 -0.13 0.00 2.80 0.00 0.00 57.97 60.53 2qyk h PHE 319 Cb 0.25 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 2qyk h PHE 319 CO 0.00 0.88 -0.30 0.00 -0.60 0.00 0.00 178.31 178.29 2qyk h VAL 321 N 0.67 1.11 0.12 0.00 2.07 -1.09 -1.58 116.25 117.56 2qyk h VAL 321 Ca 0.08 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.40 2qyk h VAL 321 Cb 0.84 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2qyk h VAL 321 CO 0.07 0.11 -0.18 -1.28 0.02 0.00 0.00 177.57 176.31 2qyk h SER 322 N 0.59 -0.50 -0.94 0.57 0.87 -1.03 0.27 113.55 113.38 2qyk h SER 322 Ca 0.16 0.06 0.06 0.00 -1.23 0.00 0.00 61.79 60.84 2qyk h SER 322 Cb -0.07 0.19 -0.06 0.00 -0.44 0.00 0.00 62.40 62.02 2qyk h SER 322 CO -0.04 -0.26 0.61 0.44 -0.53 0.00 0.00 176.83 177.05 2qyk h ASP 323 N -0.36 0.95 0.49 6.23 3.32 -1.25 0.13 116.42 125.93 2qyk h ASP 323 Ca 0.02 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2qyk h ASP 323 Cb 0.37 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.73 2qyk h ASP 323 CO -0.09 0.61 -0.21 -1.22 -1.72 0.00 0.00 179.24 176.61 2qyk n TYR 324 N -4.49 0.00 -0.70 4.55 0.53 -0.61 -3.60 117.16 112.84 2qyk n TYR 324 Ca 0.14 0.00 0.07 0.00 -1.02 0.00 0.00 57.90 57.10 2qyk n TYR 324 Cb 0.19 -0.25 0.22 0.00 -1.03 0.00 0.00 39.34 38.48 2qyk n TYR 324 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2qyk n ALA 325 N -1.14 2.70 -1.61 -0.72 0.00 0.91 -4.55 120.51 116.09 2qyk n ALA 325 Ca 0.11 -1.88 -0.15 0.00 0.00 0.00 0.00 53.44 51.51 2qyk n ALA 325 Cb 0.31 -0.61 -0.05 0.00 0.00 0.00 0.00 19.45 19.10 2qyk n ALA 325 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qyk n GLY 326 N -0.14 1.15 0.87 0.00 0.00 -0.96 -2.18 105.19 103.92 2qyk n GLY 326 Ca 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2qyk n GLY 326 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qyk n GLY 327 N -1.12 0.84 2.62 -0.02 0.00 0.38 -4.96 105.19 102.92 2qyk n GLY 327 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 2qyk n GLY 327 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qyk n ARG 328 N -2.00 4.58 -0.21 1.61 1.74 -0.93 -4.70 116.66 116.75 2qyk n ARG 328 Ca 0.00 -3.79 -0.09 0.00 -0.77 0.00 0.00 57.85 53.20 2qyk n ARG 328 Cb 0.00 -2.64 0.02 0.00 -1.02 0.00 0.00 32.46 28.82 2qyk n ARG 328 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2qyk h SER 329 N 4.79 1.04 -0.18 0.55 4.64 -1.86 -1.82 113.55 120.72 2qyk h SER 329 Ca 0.58 -0.30 -0.05 0.00 -0.47 0.00 0.00 61.79 61.54 2qyk h SER 329 Cb 0.39 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2qyk h SER 329 CO 1.44 1.09 -0.10 0.25 -0.87 0.00 0.00 176.83 178.64 2qyk h LEU 330 N 0.97 0.40 -0.03 5.97 5.85 -1.84 -1.17 115.31 125.45 2qyk h LEU 330 Ca 0.17 -0.42 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 2qyk h LEU 330 Cb 0.55 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 2qyk h LEU 330 CO 0.03 0.73 0.01 0.74 -0.34 0.00 0.00 178.44 179.61 2qyk h THR 331 N 0.06 1.14 0.44 1.05 2.02 -1.82 -1.41 112.91 114.39 2qyk h THR 331 Ca 0.04 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 2qyk h THR 331 Cb 0.59 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2qyk h THR 331 CO 0.03 0.11 -0.34 0.00 0.37 0.00 0.00 175.52 175.69 2qyk h ILE 333 N -0.76 0.96 -0.45 0.00 6.09 -1.27 -0.63 117.51 121.45 2qyk h ILE 333 Ca -0.06 -0.32 -0.12 0.00 -1.37 0.00 0.00 64.86 62.99 2qyk h ILE 333 Cb 0.63 -0.06 -0.02 0.00 0.47 0.00 0.00 36.82 37.84 2qyk h ILE 333 CO 0.01 0.17 -0.18 -0.03 -3.07 0.00 0.00 178.15 175.05 2qyk h MET 334 N 0.95 0.89 -0.05 2.19 4.05 -1.19 0.07 114.93 121.84 2qyk h MET 334 Ca 0.43 -0.35 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 2qyk h MET 334 Cb 0.33 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.09 2qyk h MET 334 CO -0.23 0.99 0.03 -0.92 0.23 0.00 0.00 176.91 177.02 2qyk h TYR 335 N 0.78 0.06 -0.58 1.39 3.20 0.04 -1.54 116.97 120.31 2qyk h TYR 335 Ca 0.11 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 2qyk h TYR 335 Cb 0.72 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.94 2qyk h TYR 335 CO 0.04 0.03 0.24 0.52 -1.64 0.00 0.00 178.16 177.36 2qyk h MET 336 N 0.06 0.86 -0.39 1.82 2.86 -0.97 -1.48 114.93 117.69 2qyk h MET 336 Ca 0.02 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2qyk h MET 336 Cb -0.01 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 2qyk h MET 336 CO -0.01 0.73 0.24 0.82 1.06 0.00 0.00 176.91 179.76 2qyk h ILE 337 N 0.80 1.12 -0.41 -1.22 2.04 -0.83 0.20 117.51 119.21 2qyk h ILE 337 Ca 0.19 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.72 2qyk h ILE 337 Cb 0.18 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 2qyk h ILE 337 CO -0.02 0.12 -0.07 -0.26 0.00 0.00 0.00 178.15 177.92 2qyk h PHE 338 N 0.52 0.74 0.25 1.37 -1.00 -1.11 -1.00 116.94 116.70 2qyk h PHE 338 Ca 0.14 -0.11 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 2qyk h PHE 338 Cb -0.02 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 39.34 2qyk h PHE 338 CO -0.04 0.74 -0.12 1.96 -1.61 0.00 0.00 178.31 179.24 2qyk h GLN 339 N 0.64 -0.32 -0.80 1.51 1.08 -0.90 0.56 115.11 116.88 2qyk h GLN 339 Ca 0.12 0.02 0.19 0.00 -1.45 0.00 0.00 58.65 57.53 2qyk h GLN 339 Cb 0.50 0.07 -0.13 0.00 -0.05 0.00 0.00 27.48 27.87 2qyk h GLN 339 CO 0.03 -0.01 0.13 1.49 -0.95 0.00 0.00 178.83 179.52 2qyk h GLU 340 N -0.66 0.17 -0.17 1.46 4.57 -0.38 0.53 114.58 120.11 2qyk h GLU 340 Ca -0.03 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2qyk h GLU 340 Cb 0.46 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2qyk h GLU 340 CO 0.06 0.11 0.00 0.54 -1.18 0.00 0.00 179.01 178.54 2qyk n ARG 341 N -5.26 1.67 -3.18 1.92 1.74 -0.40 -4.92 116.66 108.22 2qyk n ARG 341 Ca 0.17 -1.01 -0.22 0.00 -0.77 0.00 0.00 57.85 56.02 2qyk n ARG 341 Cb 0.55 -1.37 0.01 0.00 -1.02 0.00 0.00 32.46 30.63 2qyk n ARG 341 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2qyk n ASP 342 N 0.24 -4.47 0.18 0.55 2.03 0.19 -4.86 116.55 110.41 2qyk n ASP 342 Ca 0.15 -0.31 0.04 0.00 0.52 0.00 0.00 54.79 55.20 2qyk n ASP 342 Cb 0.30 -3.67 0.32 0.00 -0.72 0.00 0.00 41.12 37.35 2qyk n ASP 342 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2qyk h LEU 343 N -1.01 0.00 -0.26 -2.67 3.38 -1.18 -1.99 115.31 111.58 2qyk h LEU 343 Ca -0.45 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 2qyk h LEU 343 Cb 1.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 2qyk h LEU 343 CO 0.53 0.42 0.15 -0.07 0.09 0.00 0.00 178.44 179.55 2qyk h LEU 344 N 0.00 0.32 -0.11 1.67 3.38 -1.88 -1.60 115.31 117.09 2qyk h LEU 344 Ca -0.00 -0.07 -0.24 0.00 0.09 0.00 0.00 57.88 57.65 2qyk h LEU 344 Cb 0.90 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.58 2qyk h LEU 344 CO 0.05 0.30 -0.94 0.11 0.09 0.00 0.00 178.44 178.05 2qyk h LYS 345 N 0.31 0.64 -0.71 1.13 1.57 -1.85 0.33 116.57 117.99 2qyk h LYS 345 Ca 0.09 -0.63 0.04 0.00 -1.87 0.00 0.00 60.65 58.28 2qyk h LYS 345 Cb 0.05 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 2qyk h LYS 345 CO -0.02 1.23 0.47 0.87 -0.57 0.00 0.00 179.45 181.43 2qyk h LYS 346 N 0.38 0.79 -0.20 3.15 1.57 -1.22 -2.75 116.57 118.30 2qyk h LYS 346 Ca -0.09 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2qyk h LYS 346 Cb 1.57 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.71 2qyk h LYS 346 CO 0.18 0.53 0.00 1.19 -0.57 0.00 0.00 179.45 180.78 2qyk n PHE 347 N -4.46 0.44 -3.87 -1.35 3.72 -0.61 -5.00 117.46 106.32 2qyk n PHE 347 Ca 0.09 -0.69 -0.24 0.00 -0.05 0.00 0.00 57.45 56.56 2qyk n PHE 347 Cb 0.15 -0.13 -0.00 0.00 -0.94 0.00 0.00 39.48 38.55 2qyk n PHE 347 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2qyk n ARG 348 N -0.30 -3.82 -3.11 -1.08 1.74 -0.10 -4.57 116.66 105.41 2qyk n ARG 348 Ca 0.13 0.48 -0.42 0.00 -0.77 0.00 0.00 57.85 57.27 2qyk n ARG 348 Cb 0.56 -4.74 -0.07 0.00 -1.02 0.00 0.00 32.46 27.19 2qyk n ARG 348 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2qyk s ILE 349 N -3.87 4.89 0.17 0.55 1.01 0.97 -4.63 121.20 120.30 2qyk s ILE 349 Ca 0.00 0.61 -0.33 0.00 0.00 0.00 0.00 60.65 60.93 2qyk s ILE 349 Cb -0.00 -4.07 -0.13 0.00 0.01 0.00 0.00 42.46 38.27 2qyk s ILE 349 CO 0.86 -0.30 1.61 -2.65 0.00 0.00 0.00 174.94 174.47 2qyk n PRO 350 N 6.03 2.29 -0.08 2.79 -0.02 -1.26 -4.77 135.00 139.98 2qyk n PRO 350 Ca -0.01 0.83 0.08 0.00 -2.02 0.00 0.00 63.50 62.38 2qyk n PRO 350 Cb 0.49 -2.61 0.44 0.00 -0.02 0.00 0.00 33.50 31.79 2qyk n PRO 350 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2qyk h VAL 351 N 3.66 0.99 -0.01 -1.45 3.04 -1.95 -0.67 116.25 119.87 2qyk h VAL 351 Ca -0.44 -0.18 -0.15 0.00 -1.01 0.00 0.00 66.70 64.91 2qyk h VAL 351 Cb 1.24 0.41 -0.02 0.00 -2.01 0.00 0.00 31.29 30.91 2qyk h VAL 351 CO 0.90 0.10 -0.72 -2.24 -1.01 0.00 0.00 177.57 174.60 2qyk h ASP 352 N 0.54 0.06 -0.21 3.17 3.04 -1.93 -1.97 116.42 119.11 2qyk h ASP 352 Ca 0.24 -0.04 -0.08 0.00 -3.24 0.00 0.00 57.03 53.91 2qyk h ASP 352 Cb 0.28 -0.02 -0.00 0.00 -1.04 0.00 0.00 39.33 38.55 2qyk h ASP 352 CO -0.07 0.75 -0.19 0.74 -2.04 0.00 0.00 179.24 178.43 2qyk h THR 353 N 0.03 1.32 0.02 1.15 2.02 -1.49 -1.56 112.91 114.40 2qyk h THR 353 Ca -0.01 -1.35 0.01 0.00 0.77 0.00 0.00 66.41 65.83 2qyk h THR 353 Cb 1.27 1.73 -0.01 0.00 -1.74 0.00 0.00 68.15 69.40 2qyk h THR 353 CO 0.10 0.41 -0.05 -0.03 0.37 0.00 0.00 175.52 176.32 2qyk h MET 354 N 0.19 -0.10 -0.74 6.66 1.85 -1.09 -0.88 114.93 120.82 2qyk h MET 354 Ca 0.04 0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.10 2qyk h MET 354 Cb 0.74 0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.75 2qyk h MET 354 CO 0.05 -0.06 0.33 0.28 -0.40 0.00 0.00 176.91 177.10 2qyk h VAL 355 N -0.10 1.24 -0.25 -5.77 2.07 -1.36 -1.04 116.25 111.04 2qyk h VAL 355 Ca 0.01 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 2qyk h VAL 355 Cb 0.11 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2qyk h VAL 355 CO -0.04 0.30 0.05 0.74 0.02 0.00 0.00 177.57 178.64 2qyk h THR 356 N 1.06 1.22 -0.13 2.57 2.02 -1.02 -0.88 112.91 117.76 2qyk h THR 356 Ca 0.25 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.70 2qyk h THR 356 Cb 0.15 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2qyk h THR 356 CO -0.03 0.23 0.08 0.22 0.37 0.00 0.00 175.52 176.40 2qyk h TYR 357 N 0.23 0.16 -0.82 3.16 3.20 -0.94 -1.28 116.97 120.68 2qyk h TYR 357 Ca 0.08 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.99 2qyk h TYR 357 Cb 0.31 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.47 2qyk h TYR 357 CO 0.02 0.11 0.52 0.52 -1.64 0.00 0.00 178.16 177.69 2qyk h MET 358 N 0.16 0.96 -0.58 1.82 2.86 -1.09 0.38 114.93 119.45 2qyk h MET 358 Ca 0.05 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 2qyk h MET 358 Cb -0.01 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.41 2qyk h MET 358 CO -0.01 0.64 0.04 -0.07 1.06 0.00 0.00 176.91 178.57 2qyk h LEU 359 N 0.99 0.94 -0.09 1.22 3.38 -0.98 -0.13 115.31 120.65 2qyk h LEU 359 Ca 0.34 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2qyk h LEU 359 Cb 0.06 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 2qyk h LEU 359 CO -0.13 0.97 -0.00 0.74 0.09 0.00 0.00 178.44 180.11 2qyk h THR 360 N 0.90 1.25 0.11 0.22 2.02 -0.32 -0.52 112.91 116.58 2qyk h THR 360 Ca 0.17 -0.80 0.01 0.00 0.77 0.00 0.00 66.41 66.56 2qyk h THR 360 Cb 0.47 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 2qyk h THR 360 CO 0.02 0.23 -0.13 0.25 0.37 0.00 0.00 175.52 176.25 2qyk h LEU 361 N -0.13 -0.36 -1.14 2.58 5.85 -0.11 -2.10 115.31 119.90 2qyk h LEU 361 Ca 0.02 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.80 2qyk h LEU 361 Cb 0.35 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 2qyk h LEU 361 CO 0.00 -0.20 0.58 -0.08 -0.34 0.00 0.00 178.44 178.41 2qyk h GLU 362 N -0.28 1.14 0.00 1.25 4.81 -1.01 0.64 114.58 121.13 2qyk h GLU 362 Ca 0.01 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2qyk h GLU 362 Cb 0.28 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2qyk h GLU 362 CO -0.05 0.75 0.00 -0.44 -0.73 0.00 0.00 179.01 178.54 2qyk h ASP 363 N 1.17 0.00 -0.22 1.04 3.45 -0.58 -1.56 116.42 119.73 2qyk h ASP 363 Ca 0.33 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.79 2qyk h ASP 363 Cb -0.11 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.66 2qyk h ASP 363 CO -0.08 0.00 0.00 1.41 -1.57 0.00 0.00 179.24 179.00 2qyk n HIS 364 N -2.44 0.28 -3.58 4.55 8.25 0.22 -4.80 115.22 117.68 2qyk n HIS 364 Ca -0.00 -0.14 -0.37 0.00 -0.26 0.00 0.00 57.72 56.95 2qyk n HIS 364 Cb 0.14 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.19 2qyk n HIS 364 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2qyk s TYR 365 N -1.72 3.64 -0.21 4.41 1.51 -0.59 -1.30 117.35 123.08 2qyk s TYR 365 Ca 0.33 0.81 -0.29 0.00 -1.01 0.00 0.00 57.07 56.91 2qyk s TYR 365 Cb 0.19 -2.24 0.00 0.00 -0.11 0.00 0.00 41.96 39.80 2qyk s TYR 365 CO 0.27 0.56 1.11 -1.01 -1.11 0.00 0.00 175.55 175.37 2qyk s HIS 366 N -0.66 3.19 0.24 2.71 3.76 -1.26 -4.72 115.29 118.54 2qyk s HIS 366 Ca 0.20 1.33 0.28 0.00 -0.15 0.00 0.00 55.06 56.72 2qyk s HIS 366 Cb -0.15 -3.34 1.24 0.00 1.11 0.00 0.00 32.58 31.44 2qyk s HIS 366 CO 0.09 -0.85 1.96 0.00 -0.85 0.00 0.00 174.74 175.09 2qyk h ALA 367 N 7.69 1.09 -0.00 -1.40 0.00 -1.94 -2.70 119.26 122.00 2qyk h ALA 367 Ca -0.21 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2qyk h ALA 367 Cb 1.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2qyk h ALA 367 CO 0.98 0.17 -0.03 -0.40 0.00 0.00 0.00 179.25 179.97 2qyk n ASP 368 N -3.38 0.12 -4.61 0.00 5.75 -1.26 -4.71 116.55 108.44 2qyk n ASP 368 Ca -0.01 -0.35 -0.40 0.00 -0.01 0.00 0.00 54.79 54.02 2qyk n ASP 368 Cb 0.33 -0.20 -0.07 0.00 -1.03 0.00 0.00 41.12 40.15 2qyk n ASP 368 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2qyk s VAL 369 N -2.48 5.03 0.23 2.12 1.01 -1.02 -4.98 120.40 120.32 2qyk s VAL 369 Ca 0.31 0.91 -0.06 0.00 0.00 0.00 0.00 61.98 63.14 2qyk s VAL 369 Cb 0.20 -3.88 0.19 0.00 0.00 0.00 0.00 36.38 32.89 2qyk s VAL 369 CO 0.45 0.03 1.76 0.00 0.00 0.00 0.00 175.10 177.34 2qyk h ALA 370 N 8.04 1.00 0.00 5.51 0.00 -1.87 -3.37 119.26 128.56 2qyk h ALA 370 Ca -0.28 0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 2qyk h ALA 370 Cb 1.13 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2qyk h ALA 370 CO 0.74 -0.11 -1.36 0.98 0.00 0.00 0.00 179.25 179.50 2qyk n TYR 371 N -4.91 0.00 -1.25 0.00 9.36 -1.26 -4.79 117.16 114.31 2qyk n TYR 371 Ca 0.12 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 60.98 2qyk n TYR 371 Cb 0.32 -0.44 -0.02 0.00 -0.63 0.00 0.00 39.34 38.57 2qyk n TYR 371 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2qyk n HIS 372 N -3.79 2.35 -4.34 2.98 8.25 -1.26 -4.32 115.22 115.09 2qyk n HIS 372 Ca -0.21 -2.83 -0.22 0.00 -0.26 0.00 0.00 57.72 54.20 2qyk n HIS 372 Cb 0.55 -2.33 -0.04 0.00 1.12 0.00 0.00 29.99 29.30 2qyk n HIS 372 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2qyk n ASN 373 N 4.16 2.80 0.24 0.41 0.23 -1.26 -4.47 115.26 117.38 2qyk n ASN 373 Ca 0.68 -2.52 0.16 0.00 -0.53 0.00 0.00 54.58 52.37 2qyk n ASN 373 Cb 0.24 0.18 0.86 0.00 -2.08 0.00 0.00 39.78 38.97 2qyk n ASN 373 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 2qyk h SER 374 N 0.76 0.00 -0.71 0.53 4.64 -1.84 -1.93 113.55 115.00 2qyk h SER 374 Ca -0.29 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.99 2qyk h SER 374 Cb 0.91 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.97 2qyk h SER 374 CO 0.47 0.00 0.30 0.25 -0.87 0.00 0.00 176.83 176.98 2qyk h LEU 375 N 0.00 0.98 -0.61 5.97 5.85 -1.92 -0.05 115.31 125.53 2qyk h LEU 375 Ca 0.06 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.57 2qyk h LEU 375 Cb 0.31 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2qyk h LEU 375 CO -0.00 0.87 0.23 -0.74 -0.34 0.00 0.00 178.44 178.46 2qyk h HIS 376 N 1.02 0.94 -0.40 1.25 2.76 -1.54 -0.24 115.15 118.94 2qyk h HIS 376 Ca 0.24 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.31 2qyk h HIS 376 Cb 0.19 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 2qyk h HIS 376 CO 0.01 0.76 0.18 0.00 -1.30 0.00 0.00 177.93 177.58 2qyk h ALA 377 N 1.08 0.51 -0.85 5.26 0.00 -1.39 -0.22 119.26 123.65 2qyk h ALA 377 Ca 0.20 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2qyk h ALA 377 Cb 0.23 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2qyk h ALA 377 CO -0.01 0.09 0.56 0.00 0.00 0.00 0.00 179.25 179.88 2qyk h ALA 378 N 1.03 1.09 0.08 0.00 0.00 -0.74 -0.14 119.26 120.58 2qyk h ALA 378 Ca 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qyk h ALA 378 Cb 0.14 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2qyk h ALA 378 CO -0.02 0.46 -0.04 0.22 0.00 0.00 0.00 179.25 179.88 2qyk h ASP 379 N 1.13 -0.09 -0.69 0.00 3.58 -0.64 -0.37 116.42 119.35 2qyk h ASP 379 Ca 0.32 -0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.65 2qyk h ASP 379 Cb -0.10 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 2qyk h ASP 379 CO -0.08 0.03 0.30 0.58 -2.88 0.00 0.00 179.24 177.19 2qyk h VAL 380 N -0.20 1.24 -0.34 2.25 2.07 -0.72 -0.48 116.25 120.07 2qyk h VAL 380 Ca -0.01 -0.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 2qyk h VAL 380 Cb 0.17 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 2qyk h VAL 380 CO 0.02 0.30 0.07 0.25 0.02 0.00 0.00 177.57 178.22 2qyk h LEU 381 N 1.02 0.52 -0.72 2.57 5.85 -0.89 -0.67 115.31 122.99 2qyk h LEU 381 Ca 0.24 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 2qyk h LEU 381 Cb 0.17 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2qyk h LEU 381 CO -0.02 0.63 -0.23 -0.61 -0.34 0.00 0.00 178.44 177.87 2qyk h GLN 382 N 0.39 0.74 -0.47 1.25 -0.00 -0.76 -0.82 115.11 115.43 2qyk h GLN 382 Ca 0.10 -0.30 -0.11 0.00 -0.00 0.00 0.00 58.65 58.34 2qyk h GLN 382 Cb 0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 27.48 27.76 2qyk h GLN 382 CO 0.00 0.90 -0.16 0.77 0.00 0.00 0.00 178.83 180.34 2qyk h SER 383 N 0.64 0.92 -0.47 -0.69 0.02 -0.99 -1.57 113.55 111.40 2qyk h SER 383 Ca 0.09 -0.32 -0.09 0.00 -0.84 0.00 0.00 61.79 60.64 2qyk h SER 383 Cb 0.73 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 2qyk h SER 383 CO 0.06 1.07 -0.02 0.74 -1.14 0.00 0.00 176.83 177.54 2qyk h THR 384 N 0.81 1.26 -0.99 -2.27 2.02 -0.89 -0.24 112.91 112.60 2qyk h THR 384 Ca 0.12 -1.09 0.02 0.00 0.77 0.00 0.00 66.41 66.22 2qyk h THR 384 Cb 0.70 0.87 -0.05 0.00 -1.74 0.00 0.00 68.15 67.93 2qyk h THR 384 CO 0.05 0.39 0.65 -0.74 0.37 0.00 0.00 175.52 176.24 2qyk h HIS 385 N 0.83 1.23 -0.09 3.16 6.17 -0.70 -0.70 115.15 125.05 2qyk h HIS 385 Ca 0.15 0.03 -0.05 0.00 0.71 0.00 0.00 60.37 61.22 2qyk h HIS 385 Cb 0.52 -0.42 -0.00 0.00 2.52 0.00 0.00 27.41 30.03 2qyk h HIS 385 CO 0.03 0.76 -0.12 0.28 0.71 0.00 0.00 177.93 179.59 2qyk h VAL 386 N 1.32 1.38 -0.71 5.26 2.07 -0.66 -3.22 116.25 121.68 2qyk h VAL 386 Ca 0.37 -1.34 0.06 0.00 0.82 0.00 0.00 66.70 66.61 2qyk h VAL 386 Cb -0.12 2.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 2qyk h VAL 386 CO -0.09 0.38 0.47 -0.07 0.02 0.00 0.00 177.57 178.28 2qyk h LEU 387 N -0.19 0.66 -1.93 2.57 3.38 -0.71 -1.21 115.31 117.88 2qyk h LEU 387 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2qyk h LEU 387 Cb 0.67 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2qyk h LEU 387 CO 0.03 0.43 -0.11 -0.07 0.09 0.00 0.00 178.44 178.81 2qyk h LEU 388 N 0.76 0.00 -1.55 1.67 3.38 -1.15 -1.95 115.31 116.46 2qyk h LEU 388 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 2qyk h LEU 388 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2qyk h LEU 388 CO -0.10 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.55 2qyk n ALA 389 N -2.37 2.45 -1.71 1.53 0.00 -0.46 -4.79 120.51 115.15 2qyk n ALA 389 Ca -0.02 -0.73 -0.43 0.00 0.00 0.00 0.00 53.44 52.26 2qyk n ALA 389 Cb 0.21 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.64 2qyk n ALA 389 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2qyk n THR 390 N 0.74 0.12 -0.31 0.00 5.66 -0.73 -4.86 114.28 114.89 2qyk n THR 390 Ca 0.16 -0.03 0.15 0.00 -3.05 0.00 0.00 64.05 61.28 2qyk n THR 390 Cb 0.38 -1.89 0.32 0.00 -1.55 0.00 0.00 70.33 67.60 2qyk n THR 390 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 2qyk h PRO 391 N 6.38 0.25 0.00 1.09 0.11 -1.91 0.18 132.00 138.09 2qyk h PRO 391 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2qyk h PRO 391 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2qyk h PRO 391 CO 0.93 0.16 0.01 0.00 -0.21 0.00 0.00 178.00 178.89 2qyk h ALA 392 N 1.78 1.01 -0.44 -0.75 0.00 -1.89 -1.76 119.26 117.21 2qyk h ALA 392 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.49 2qyk h ALA 392 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2qyk h ALA 392 CO -0.63 -0.01 0.00 1.28 0.00 0.00 0.00 179.25 179.89 2qyk n LEU 393 N -2.94 3.21 -4.69 0.00 4.77 0.05 -0.80 117.00 116.59 2qyk n LEU 393 Ca -0.03 -1.85 -0.44 0.00 -0.03 0.00 0.00 56.01 53.66 2qyk n LEU 393 Cb 0.07 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 2qyk n LEU 393 CO 0.18 0.78 1.15 -0.67 -1.33 0.00 0.00 177.39 177.50 2qyk n ASP 394 N 0.97 3.20 0.00 -1.43 -0.08 -0.66 -1.78 116.55 116.76 2qyk n ASP 394 Ca 0.16 1.12 0.00 0.00 -1.51 0.00 0.00 54.79 54.55 2qyk n ASP 394 Cb 0.49 -1.47 0.00 0.00 2.34 0.00 0.00 41.12 42.48 2qyk n ASP 394 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2qyk n ALA 395 N 2.65 0.00 -0.01 -1.67 0.00 -1.26 -4.88 120.51 115.34 2qyk n ALA 395 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.41 2qyk n ALA 395 Cb 0.32 -0.89 -0.12 0.00 0.00 0.00 0.00 19.45 18.76 2qyk n ALA 395 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qyk h VAL 396 N 0.00 1.54 -2.92 0.00 2.07 -1.70 -3.47 116.25 111.77 2qyk h VAL 396 Ca 0.00 -2.11 -0.62 0.00 0.82 0.00 0.00 66.70 64.79 2qyk h VAL 396 Cb 0.47 2.85 -0.05 0.00 -1.52 0.00 0.00 31.29 33.05 2qyk h VAL 396 CO 0.00 0.59 -0.37 -0.36 0.02 0.00 0.00 177.57 177.44 2qyk s PHE 397 N -2.95 3.58 0.82 1.57 0.08 -1.26 -4.98 117.98 114.83 2qyk s PHE 397 Ca -0.15 0.59 -0.12 0.00 0.12 0.00 0.00 56.93 57.37 2qyk s PHE 397 Cb 0.01 -2.01 0.08 0.00 -0.57 0.00 0.00 43.02 40.54 2qyk s PHE 397 CO 0.77 0.60 1.13 0.95 -0.10 0.00 0.00 175.22 178.57 2qyk s THR 398 N -1.31 2.57 0.43 0.64 -4.23 -1.26 -4.87 115.64 107.61 2qyk s THR 398 Ca 0.28 0.19 0.13 0.00 -1.18 0.00 0.00 61.69 61.11 2qyk s THR 398 Cb -0.13 -3.04 0.18 0.00 1.34 0.00 0.00 72.50 70.85 2qyk s THR 398 CO 0.16 -0.24 1.98 0.44 -0.54 0.00 0.00 174.62 176.42 2qyk h ASP 399 N -1.12 0.07 -0.37 3.99 3.32 -1.99 -1.94 116.42 118.38 2qyk h ASP 399 Ca -0.47 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 56.42 2qyk h ASP 399 Cb 1.30 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 2qyk h ASP 399 CO 0.63 0.23 -0.31 0.25 -1.72 0.00 0.00 179.24 178.32 2qyk h LEU 400 N 0.07 0.94 -0.81 1.55 5.85 -1.99 -0.18 115.31 120.74 2qyk h LEU 400 Ca 0.01 -0.39 -0.12 0.00 0.84 0.00 0.00 57.88 58.23 2qyk h LEU 400 Cb 0.32 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2qyk h LEU 400 CO 0.02 1.16 -0.37 -0.33 -0.34 0.00 0.00 178.44 178.58 2qyk h GLU 401 N 0.76 0.45 -0.31 1.25 5.08 -1.81 -0.88 114.58 119.11 2qyk h GLU 401 Ca 0.08 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 2qyk h GLU 401 Cb 0.87 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2qyk h GLU 401 CO 0.08 0.76 -0.20 0.82 -1.00 0.00 0.00 179.01 179.47 2qyk h ILE 402 N 0.38 1.30 -0.39 3.13 2.04 -1.17 -1.90 117.51 120.90 2qyk h ILE 402 Ca 0.04 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.57 2qyk h ILE 402 Cb 0.83 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 2qyk h ILE 402 CO 0.07 0.43 0.25 0.25 0.00 0.00 0.00 178.15 179.14 2qyk h LEU 403 N 0.43 0.45 -0.32 1.44 5.85 -0.81 -2.09 115.31 120.25 2qyk h LEU 403 Ca 0.06 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.78 2qyk h LEU 403 Cb 0.74 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 2qyk h LEU 403 CO 0.05 0.35 0.15 0.00 -0.34 0.00 0.00 178.44 178.65 2qyk h ALA 404 N 1.13 0.39 -0.69 1.25 0.00 -1.09 -1.20 119.26 119.05 2qyk h ALA 404 Ca 0.14 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2qyk h ALA 404 Cb -0.04 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2qyk h ALA 404 CO -0.03 -0.23 0.34 0.00 0.00 0.00 0.00 179.25 179.33 2qyk h ALA 405 N 1.17 0.88 -0.48 0.00 0.00 -1.16 0.24 119.26 119.92 2qyk h ALA 405 Ca 0.13 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2qyk h ALA 405 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2qyk h ALA 405 CO -0.10 0.44 -0.22 -0.07 0.00 0.00 0.00 179.25 179.29 2qyk h LEU 406 N 0.95 1.02 -0.25 0.00 3.38 -1.20 -1.10 115.31 118.11 2qyk h LEU 406 Ca 0.24 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2qyk h LEU 406 Cb 0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2qyk h LEU 406 CO -0.03 1.19 0.05 0.15 0.09 0.00 0.00 178.44 179.88 2qyk h PHE 407 N 0.85 0.43 -0.37 1.13 3.57 -0.91 -1.40 116.94 120.23 2qyk h PHE 407 Ca 0.11 -0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.61 2qyk h PHE 407 Cb 0.80 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.37 2qyk h PHE 407 CO 0.05 0.51 0.07 0.00 -2.23 0.00 0.00 178.31 176.72 2qyk h ALA 408 N 0.87 0.40 -0.64 2.41 0.00 -0.38 -1.90 119.26 120.01 2qyk h ALA 408 Ca 0.08 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2qyk h ALA 408 Cb 0.31 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2qyk h ALA 408 CO 0.00 -0.33 0.40 0.00 0.00 0.00 0.00 179.25 179.32 2qyk h ALA 409 N 1.28 0.81 -0.27 0.00 0.00 -1.03 0.79 119.26 120.83 2qyk h ALA 409 Ca 0.18 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2qyk h ALA 409 Cb 0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2qyk h ALA 409 CO -0.23 0.27 -0.12 0.00 0.00 0.00 0.00 179.25 179.17 2qyk h ALA 410 N 1.21 1.29 -0.01 0.00 0.00 -0.76 -3.19 119.26 117.81 2qyk h ALA 410 Ca 0.23 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qyk h ALA 410 Cb -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2qyk h ALA 410 CO -0.05 0.47 -0.69 0.44 0.00 0.00 0.00 179.25 179.42 2qyk n ILE 411 N -4.22 0.00 0.23 0.00 -5.35 -0.76 -4.69 119.36 104.57 2qyk n ILE 411 Ca 0.00 -0.15 0.13 0.00 -0.27 0.00 0.00 62.75 62.46 2qyk n ILE 411 Cb 0.31 1.12 0.51 0.00 -1.74 0.00 0.00 39.64 39.84 2qyk n ILE 411 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 2qyk h HIS 412 N 1.14 0.00 0.00 4.28 2.07 -0.82 -1.65 115.15 120.17 2qyk h HIS 412 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2qyk h HIS 412 Cb 0.59 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.57 2qyk h HIS 412 CO 0.00 0.00 -0.16 -0.25 -3.07 0.00 0.00 177.93 174.45 2qyk n ASP 413 N -2.94 0.88 -4.69 3.10 8.00 -1.26 -4.84 116.55 114.80 2qyk n ASP 413 Ca 0.03 -1.95 -0.43 0.00 0.71 0.00 0.00 54.79 53.15 2qyk n ASP 413 Cb 0.75 -0.16 -0.01 0.00 -0.02 0.00 0.00 41.12 41.68 2qyk n ASP 413 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 2qyk n VAL 414 N -0.40 1.55 -2.10 2.53 3.14 -0.62 -1.92 118.33 120.50 2qyk n VAL 414 Ca 0.03 -0.39 -0.16 0.00 -2.96 0.00 0.00 64.34 60.87 2qyk n VAL 414 Cb 0.55 -1.55 -0.02 0.00 -1.06 0.00 0.00 33.84 31.75 2qyk n VAL 414 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2qyk n ASP 415 N 1.38 -4.71 -4.72 6.55 2.03 -0.42 -4.45 116.55 112.20 2qyk n ASP 415 Ca 0.08 0.08 -0.42 0.00 0.52 0.00 0.00 54.79 55.04 2qyk n ASP 415 Cb 0.34 -3.79 -0.03 0.00 -0.72 0.00 0.00 41.12 36.93 2qyk n ASP 415 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2qyk s HIS 416 N -2.73 3.15 -1.28 -0.67 5.65 -0.81 -4.92 115.29 113.69 2qyk s HIS 416 Ca 0.00 0.78 0.29 0.00 0.25 0.00 0.00 55.06 56.38 2qyk s HIS 416 Cb 0.00 -3.81 1.39 0.00 -1.18 0.00 0.00 32.58 28.98 2qyk s HIS 416 CO 0.00 -2.92 1.98 -0.35 -0.65 0.00 0.00 174.74 172.81 2qyk n PRO 417 N 3.97 0.27 -0.62 2.88 -0.04 -1.26 -4.56 135.00 135.64 2qyk n PRO 417 Ca 0.13 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2qyk n PRO 417 Cb 0.40 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 2qyk n PRO 417 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qyk n GLY 418 N 1.29 0.69 3.10 0.55 0.00 -1.26 -4.99 105.19 104.56 2qyk n GLY 418 Ca 0.11 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 2qyk n GLY 418 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qyk s VAL 419 N -2.00 0.75 1.03 1.61 -7.23 -1.26 -4.66 120.40 108.63 2qyk s VAL 419 Ca 0.00 -1.12 -0.12 0.00 -1.81 0.00 0.00 61.98 58.93 2qyk s VAL 419 Cb 0.00 -0.77 0.21 0.00 0.56 0.00 0.00 36.38 36.38 2qyk s VAL 419 CO 0.00 -0.29 1.08 -0.94 -0.31 0.00 0.00 175.10 174.64 2qyk s SER 420 N -1.55 2.29 0.21 4.85 1.04 -1.26 -4.89 113.70 114.38 2qyk s SER 420 Ca -0.06 1.32 -0.09 0.00 0.48 0.00 0.00 55.95 57.59 2qyk s SER 420 Cb -0.10 -2.01 0.15 0.00 0.10 0.00 0.00 66.02 64.16 2qyk s SER 420 CO 0.01 -3.36 1.81 0.78 0.98 0.00 0.00 173.24 173.46 2qyk h ASN 421 N -2.05 0.98 -0.69 7.02 2.35 -2.01 -2.51 115.58 118.67 2qyk h ASN 421 Ca -0.56 -0.12 0.06 0.00 -0.55 0.00 0.00 56.30 55.13 2qyk h ASN 421 Cb 1.32 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 39.40 2qyk h ASN 421 CO 0.55 0.82 0.45 -0.61 -1.65 0.00 0.00 177.43 177.00 2qyk h GLN 422 N 1.07 0.71 -0.26 0.81 5.75 -1.97 0.14 115.11 121.35 2qyk h GLN 422 Ca 0.26 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.66 2qyk h GLN 422 Cb 0.09 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.47 2qyk h GLN 422 CO -0.04 0.47 -0.06 0.35 -2.65 0.00 0.00 178.83 176.90 2qyk h PHE 423 N 0.73 0.56 -0.75 3.99 3.04 -1.82 0.20 116.94 122.90 2qyk h PHE 423 Ca 0.29 -0.12 -0.05 0.00 3.98 0.00 0.00 57.97 62.08 2qyk h PHE 423 Cb 0.23 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.57 2qyk h PHE 423 CO -0.00 0.71 0.28 -0.07 -2.02 0.00 0.00 178.31 177.21 2qyk h LEU 424 N 0.25 1.04 0.09 0.59 3.38 -1.10 -2.04 115.31 117.51 2qyk h LEU 424 Ca 0.07 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2qyk h LEU 424 Cb 0.53 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2qyk h LEU 424 CO 0.03 0.94 -0.04 0.40 0.09 0.00 0.00 178.44 179.85 2qyk h ILE 425 N 1.09 1.06 0.00 1.22 2.04 -0.53 -1.76 117.51 120.63 2qyk h ILE 425 Ca 0.25 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 2qyk h ILE 425 Cb 0.24 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2qyk h ILE 425 CO -0.02 0.13 -0.04 0.78 0.00 0.00 0.00 178.15 179.01 2qyk h ASN 426 N -0.37 0.00 -0.26 1.72 2.35 -0.43 -2.02 115.58 116.57 2qyk h ASN 426 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2qyk h ASN 426 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 2qyk h ASN 426 CO 0.02 0.04 0.00 0.35 -1.65 0.00 0.00 177.43 176.19 2qyk n THR 427 N -4.02 0.34 -3.62 2.81 -2.24 -0.78 -4.92 114.28 101.84 2qyk n THR 427 Ca -0.03 -0.47 -0.24 0.00 -2.27 0.00 0.00 64.05 61.04 2qyk n THR 427 Cb 0.13 0.47 0.08 0.00 -2.10 0.00 0.00 70.33 68.91 2qyk n THR 427 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2qyk n ASN 428 N 0.64 -6.21 -4.75 3.42 5.15 -0.76 -4.92 115.26 107.83 2qyk n ASN 428 Ca 0.16 -0.56 -0.39 0.00 -0.60 0.00 0.00 54.58 53.20 2qyk n ASN 428 Cb 0.39 -4.95 0.04 0.00 -0.53 0.00 0.00 39.78 34.73 2qyk n ASN 428 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2qyk s SER 429 N -3.34 5.32 0.31 1.20 0.15 -0.67 -4.86 113.70 111.82 2qyk s SER 429 Ca 0.59 2.79 0.04 0.00 0.70 0.00 0.00 55.95 60.07 2qyk s SER 429 Cb -0.26 -2.64 0.66 0.00 -1.71 0.00 0.00 66.02 62.07 2qyk s SER 429 CO 0.74 -1.54 1.85 -0.08 1.20 0.00 0.00 173.24 175.41 2qyk h GLU 430 N 1.55 0.85 -0.66 5.44 4.81 -1.91 -1.55 114.58 123.10 2qyk h GLU 430 Ca -0.51 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 58.62 2qyk h GLU 430 Cb 1.30 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 2qyk h GLU 430 CO 0.58 0.56 0.23 -0.07 -0.73 0.00 0.00 179.01 179.58 2qyk h LEU 431 N 0.87 0.95 -0.67 1.64 3.38 -1.93 -1.89 115.31 117.66 2qyk h LEU 431 Ca 0.47 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 58.14 2qyk h LEU 431 Cb 0.56 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2qyk h LEU 431 CO -0.23 0.89 -0.10 0.00 0.09 0.00 0.00 178.44 179.08 2qyk h ALA 432 N 1.10 0.87 0.00 1.53 0.00 -1.58 -1.69 119.26 119.49 2qyk h ALA 432 Ca 0.22 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 2qyk h ALA 432 Cb 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2qyk h ALA 432 CO -0.01 0.64 -0.40 -0.07 0.00 0.00 0.00 179.25 179.42 2qyk h LEU 433 N 0.84 0.00 -0.13 0.00 3.38 -1.26 0.33 115.31 118.47 2qyk h LEU 433 Ca 0.14 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.04 2qyk h LEU 433 Cb 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2qyk h LEU 433 CO 0.04 0.40 -0.17 -0.03 0.09 0.00 0.00 178.44 178.77 2qyk h MET 434 N 0.00 0.35 -0.50 1.13 4.05 -0.92 -3.28 114.93 115.76 2qyk h MET 434 Ca -0.00 -0.20 0.00 0.00 -0.28 0.00 0.00 59.70 59.22 2qyk h MET 434 Cb 0.72 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.54 2qyk h MET 434 CO 0.05 0.76 0.00 0.66 0.23 0.00 0.00 176.91 178.61 2qyk n TYR 435 N -4.54 1.75 -3.99 1.39 4.01 -0.67 -4.97 117.16 110.13 2qyk n TYR 435 Ca -0.06 -0.76 -0.27 0.00 -0.16 0.00 0.00 57.90 56.65 2qyk n TYR 435 Cb 0.38 -0.44 -0.03 0.00 -0.31 0.00 0.00 39.34 38.94 2qyk n TYR 435 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2qyk n ASN 436 N 0.36 -0.38 -0.20 7.72 3.02 -0.08 -1.75 115.26 123.96 2qyk n ASN 436 Ca 0.26 -1.05 -0.02 0.00 -0.03 0.00 0.00 54.58 53.74 2qyk n ASN 436 Cb 1.10 -2.85 -0.01 0.00 -0.61 0.00 0.00 39.78 37.41 2qyk n ASN 436 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2qyk n ASP 437 N -2.95 -4.40 -4.51 6.41 8.00 -0.16 -4.94 116.55 114.00 2qyk n ASP 437 Ca -0.30 0.05 -0.36 0.00 0.71 0.00 0.00 54.79 54.89 2qyk n ASP 437 Cb 0.68 -2.87 -0.12 0.00 -0.02 0.00 0.00 41.12 38.80 2qyk n ASP 437 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2qyk s GLU 438 N -1.74 3.78 -1.56 -1.24 2.56 -0.71 -4.55 118.70 115.24 2qyk s GLU 438 Ca 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 54.97 54.53 2qyk s GLU 438 Cb 0.00 -3.36 0.02 0.00 2.00 0.00 0.00 34.13 32.78 2qyk s GLU 438 CO 0.00 -0.09 0.08 0.43 -0.56 0.00 0.00 175.26 175.12 2qyk n SER 439 N 4.65 0.66 0.01 -1.70 7.64 -1.26 -4.82 113.62 118.80 2qyk n SER 439 Ca -0.16 -1.26 -0.14 0.00 1.01 0.00 0.00 58.87 58.33 2qyk n SER 439 Cb 0.52 -1.71 -0.08 0.00 -1.01 0.00 0.00 64.21 61.93 2qyk n SER 439 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2qyk h VAL 440 N -1.73 0.08 -0.41 0.44 2.07 -1.89 -0.92 116.25 113.88 2qyk h VAL 440 Ca -0.65 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 2qyk h VAL 440 Cb 1.40 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2qyk h VAL 440 CO 0.72 0.00 0.14 -0.07 0.02 0.00 0.00 177.57 178.37 2qyk h LEU 441 N -0.56 0.59 -0.83 2.57 3.38 -1.95 -2.23 115.31 116.28 2qyk h LEU 441 Ca 0.05 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.85 2qyk h LEU 441 Cb 0.67 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 2qyk h LEU 441 CO -0.40 0.63 0.54 -0.33 0.09 0.00 0.00 178.44 178.97 2qyk h GLU 442 N 0.52 1.03 -0.38 1.13 3.07 -1.86 0.28 114.58 118.37 2qyk h GLU 442 Ca 0.13 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 58.85 2qyk h GLU 442 Cb 0.24 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 2qyk h GLU 442 CO -0.01 0.68 -0.08 -0.91 -1.40 0.00 0.00 179.01 177.29 2qyk h ASN 443 N 1.06 0.63 -0.56 1.42 2.35 -1.08 -2.14 115.58 117.25 2qyk h ASN 443 Ca 0.33 -0.16 -0.11 0.00 -0.55 0.00 0.00 56.30 55.80 2qyk h ASN 443 Cb -0.02 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2qyk h ASN 443 CO -0.10 0.75 -0.09 -0.74 -1.65 0.00 0.00 177.43 175.60 2qyk h HIS 444 N 0.60 1.17 -0.76 1.19 2.76 -0.45 -1.43 115.15 118.23 2qyk h HIS 444 Ca 0.11 -0.24 -0.04 0.00 -2.20 0.00 0.00 60.37 58.01 2qyk h HIS 444 Cb 0.50 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.14 2qyk h HIS 444 CO 0.02 1.07 0.32 0.45 -1.30 0.00 0.00 177.93 178.49 2qyk h HIS 445 N 0.93 1.14 -0.11 5.26 3.86 -0.23 -1.25 115.15 124.74 2qyk h HIS 445 Ca 0.15 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 2qyk h HIS 445 Cb 0.66 -0.34 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 2qyk h HIS 445 CO 0.05 0.86 0.05 -0.07 0.86 0.00 0.00 177.93 179.68 2qyk h LEU 446 N 1.08 0.15 -0.33 2.43 3.38 -1.20 -0.38 115.31 120.44 2qyk h LEU 446 Ca 0.25 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.12 2qyk h LEU 446 Cb 0.19 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2qyk h LEU 446 CO -0.02 0.25 0.12 0.00 0.09 0.00 0.00 178.44 178.88 2qyk h ALA 447 N 0.91 0.38 -0.35 1.53 0.00 -1.01 -1.72 119.26 119.01 2qyk h ALA 447 Ca 0.04 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 2qyk h ALA 447 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2qyk h ALA 447 CO -0.00 -0.27 -0.11 0.28 0.00 0.00 0.00 179.25 179.14 2qyk h VAL 448 N 0.27 1.28 -0.39 0.00 2.07 -1.16 -0.61 116.25 117.71 2qyk h VAL 448 Ca 0.15 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.50 2qyk h VAL 448 Cb 0.11 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2qyk h VAL 448 CO -0.14 0.39 0.21 1.23 0.02 0.00 0.00 177.57 179.28 2qyk h GLY 449 N 0.47 0.54 1.55 2.17 0.00 -0.85 -1.70 103.07 105.25 2qyk h GLY 449 Ca 0.08 -0.15 -0.20 0.00 0.00 0.00 0.00 47.33 47.07 2qyk h GLY 449 CO 0.04 0.12 -0.77 0.74 0.00 0.00 0.00 176.54 176.67 2qyk h PHE 450 N 0.43 0.60 -0.44 5.60 0.04 -1.33 -3.27 116.94 118.57 2qyk h PHE 450 Ca 0.16 -0.28 -0.05 0.00 2.80 0.00 0.00 57.97 60.61 2qyk h PHE 450 Cb 0.05 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 2qyk h PHE 450 CO -0.09 1.05 0.08 -0.22 -0.60 0.00 0.00 178.31 178.54 2qyk h LYS 451 N 0.29 0.67 0.00 1.51 1.63 -0.82 -2.41 116.57 117.44 2qyk h LYS 451 Ca -0.04 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.63 2qyk h LYS 451 Cb 1.37 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 2qyk h LYS 451 CO 0.14 0.63 0.00 -0.07 -3.45 0.00 0.00 179.45 176.70 2qyk h LEU 452 N 0.65 0.00 -1.84 5.20 3.38 -1.36 -1.75 115.31 119.59 2qyk h LEU 452 Ca 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2qyk h LEU 452 Cb 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2qyk h LEU 452 CO 0.00 0.00 -0.14 -0.07 0.09 0.00 0.00 178.44 178.32 2qyk h LEU 453 N 0.00 0.00 0.00 1.67 3.38 -1.56 -2.44 115.31 116.36 2qyk h LEU 453 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qyk h LEU 453 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2qyk h LEU 453 CO 0.00 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.67 2qyk n GLN 454 N -3.85 0.25 -1.52 1.13 6.02 -0.66 -1.88 117.38 116.87 2qyk n GLN 454 Ca -0.02 0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 56.68 2qyk n GLN 454 Cb 0.24 -1.50 0.10 0.00 1.02 0.00 0.00 30.24 30.09 2qyk n GLN 454 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2qyk s GLU 455 N -2.74 1.97 -0.34 -1.09 2.02 -0.92 -4.87 118.70 112.72 2qyk s GLU 455 Ca 0.22 0.64 -0.39 0.00 0.02 0.00 0.00 54.97 55.46 2qyk s GLU 455 Cb 0.19 -1.90 -0.14 0.00 0.10 0.00 0.00 34.13 32.37 2qyk s GLU 455 CO 0.48 -1.70 1.98 -3.47 0.02 0.00 0.00 175.26 172.57 2qyk n ASP 456 N -3.49 2.03 -3.67 -0.19 4.64 -1.26 -1.53 116.55 113.08 2qyk n ASP 456 Ca 0.07 0.75 -0.25 0.00 -1.38 0.00 0.00 54.79 53.99 2qyk n ASP 456 Cb 0.56 -1.15 0.06 0.00 -1.04 0.00 0.00 41.12 39.56 2qyk n ASP 456 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 2qyk n ASN 457 N 7.47 -5.04 -0.17 1.67 4.05 -1.26 -4.91 115.26 117.07 2qyk n ASN 457 Ca 0.37 -0.64 0.02 0.00 0.45 0.00 0.00 54.58 54.79 2qyk n ASN 457 Cb 0.14 -4.67 0.02 0.00 1.23 0.00 0.00 39.78 36.50 2qyk n ASN 457 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2qyk s ASP 459 N -0.44 6.72 0.40 0.00 2.15 -0.79 -4.52 116.67 120.18 2qyk s ASP 459 Ca 0.05 -2.09 0.28 0.00 0.43 0.00 0.00 52.55 51.22 2qyk s ASP 459 Cb 0.04 -2.57 1.34 0.00 -0.30 0.00 0.00 42.92 41.43 2qyk s ASP 459 CO 0.06 -1.28 1.85 0.16 -0.17 0.00 0.00 175.17 175.79 2qyk h ILE 460 N 6.00 0.00 -0.72 4.11 3.07 -1.85 -2.26 117.51 125.86 2qyk h ILE 460 Ca 0.35 -0.18 0.00 0.00 1.55 0.00 0.00 64.86 66.58 2qyk h ILE 460 Cb 0.92 0.92 0.00 0.00 -0.27 0.00 0.00 36.82 38.40 2qyk h ILE 460 CO 1.44 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 179.03 2qyk n PHE 461 N -2.53 1.07 -0.30 0.16 3.72 -1.26 -4.57 117.46 113.75 2qyk n PHE 461 Ca -0.00 -0.51 0.16 0.00 -0.05 0.00 0.00 57.45 57.05 2qyk n PHE 461 Cb 0.16 -0.04 0.42 0.00 -0.94 0.00 0.00 39.48 39.07 2qyk n PHE 461 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 2qyk h GLN 462 N 4.23 0.57 -0.44 -1.08 3.07 -1.78 -1.70 115.11 117.98 2qyk h GLN 462 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.71 2qyk h GLN 462 Cb 1.06 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 28.49 2qyk h GLN 462 CO 0.04 0.38 0.00 0.09 0.09 0.00 0.00 178.83 179.43 2qyk n ASN 463 N -4.62 2.54 -4.85 0.06 3.02 -1.26 -4.89 115.26 105.26 2qyk n ASN 463 Ca 0.21 -1.97 -0.31 0.00 -0.03 0.00 0.00 54.58 52.48 2qyk n ASN 463 Cb 0.63 -0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 39.48 2qyk n ASN 463 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qyk s LEU 464 N -1.09 3.65 0.90 3.41 1.02 -0.64 -4.92 118.68 121.01 2qyk s LEU 464 Ca 0.33 1.43 -0.14 0.00 0.02 0.00 0.00 54.13 55.77 2qyk s LEU 464 Cb 0.17 -4.36 0.14 0.00 0.02 0.00 0.00 46.19 42.16 2qyk s LEU 464 CO 0.23 -0.56 1.20 -0.94 0.02 0.00 0.00 176.35 176.31 2qyk s SER 465 N -3.19 3.65 0.10 2.29 1.04 -1.26 -4.84 113.70 111.49 2qyk s SER 465 Ca 0.56 0.68 -0.21 0.00 0.48 0.00 0.00 55.95 57.46 2qyk s SER 465 Cb -0.10 -1.06 -0.11 0.00 0.10 0.00 0.00 66.02 64.85 2qyk s SER 465 CO 0.33 -2.43 1.74 0.50 0.98 0.00 0.00 173.24 174.36 2qyk h LYS 466 N -1.42 0.15 -0.04 4.02 3.64 -1.98 -1.58 116.57 119.36 2qyk h LYS 466 Ca -0.47 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.83 2qyk h LYS 466 Cb 1.30 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 2qyk h LYS 466 CO 0.56 0.12 -0.32 0.00 -2.27 0.00 0.00 179.45 177.54 2qyk h ARG 467 N 0.14 0.08 -0.28 1.90 3.08 -1.99 -1.91 114.38 115.39 2qyk h ARG 467 Ca 0.04 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 2qyk h ARG 467 Cb 0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2qyk h ARG 467 CO -0.01 0.39 -0.20 1.96 -1.07 0.00 0.00 179.97 181.05 2qyk h GLN 468 N 0.07 0.63 -0.63 0.04 4.20 -1.86 -1.50 115.11 116.06 2qyk h GLN 468 Ca 0.01 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.39 2qyk h GLN 468 Cb 0.61 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 2qyk h GLN 468 CO 0.04 0.89 0.29 0.00 -0.67 0.00 0.00 178.83 179.39 2qyk h ARG 469 N 0.37 0.91 -0.60 1.46 3.08 -1.03 0.12 114.38 118.69 2qyk h ARG 469 Ca 0.06 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 2qyk h ARG 469 Cb 0.74 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 2qyk h ARG 469 CO 0.05 0.74 0.00 1.96 -1.07 0.00 0.00 179.97 181.65 2qyk h GLN 470 N 0.86 1.05 -0.25 0.04 4.20 -1.31 -0.67 115.11 119.04 2qyk h GLN 470 Ca 0.21 -0.33 -0.07 0.00 0.06 0.00 0.00 58.65 58.53 2qyk h GLN 470 Cb 0.13 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2qyk h GLN 470 CO -0.03 1.02 -0.10 1.03 -0.67 0.00 0.00 178.83 180.08 2qyk h SER 471 N 0.96 0.52 -0.30 1.46 0.87 -0.98 -2.45 113.55 113.62 2qyk h SER 471 Ca 0.17 -0.40 0.01 0.00 -1.23 0.00 0.00 61.79 60.35 2qyk h SER 471 Cb 0.55 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 2qyk h SER 471 CO 0.03 0.80 0.17 0.25 -0.53 0.00 0.00 176.83 177.55 2qyk h LEU 472 N 0.24 0.27 -0.32 2.23 7.12 -0.64 -1.80 115.31 122.41 2qyk h LEU 472 Ca 0.06 0.00 0.04 0.00 0.13 0.00 0.00 57.88 58.11 2qyk h LEU 472 Cb 0.60 -0.05 -0.04 0.00 -0.53 0.00 0.00 40.66 40.64 2qyk h LEU 472 CO 0.03 0.20 0.09 -0.09 -0.13 0.00 0.00 178.44 178.54 2qyk h ARG 473 N 0.35 0.21 -0.44 1.25 2.43 -1.08 0.29 114.38 117.40 2qyk h ARG 473 Ca 0.12 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.31 2qyk h ARG 473 Cb 0.01 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 2qyk h ARG 473 CO -0.06 0.14 0.24 -0.22 -1.51 0.00 0.00 179.97 178.56 2qyk h LYS 474 N 0.22 0.47 -0.27 0.20 3.64 -1.21 -0.41 116.57 119.21 2qyk h LYS 474 Ca 0.15 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 2qyk h LYS 474 Cb 0.14 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2qyk h LYS 474 CO -0.17 0.31 -0.02 0.52 -2.27 0.00 0.00 179.45 177.81 2qyk h MET 475 N 0.48 0.49 -0.80 1.90 2.86 -0.96 -2.27 114.93 116.62 2qyk h MET 475 Ca 0.18 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2qyk h MET 475 Cb 0.06 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 2qyk h MET 475 CO -0.11 0.67 0.47 0.28 1.06 0.00 0.00 176.91 179.28 2qyk h VAL 476 N 0.26 1.23 -0.09 -2.22 2.07 -0.76 -1.21 116.25 115.52 2qyk h VAL 476 Ca 0.07 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 2qyk h VAL 476 Cb 0.46 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2qyk h VAL 476 CO 0.02 0.24 0.04 0.40 0.02 0.00 0.00 177.57 178.29 2qyk h ILE 477 N 1.11 1.11 -0.79 4.57 2.04 -0.94 -1.78 117.51 122.83 2qyk h ILE 477 Ca 0.29 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.85 2qyk h ILE 477 Cb -0.03 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 2qyk h ILE 477 CO -0.05 0.10 0.51 0.44 0.00 0.00 0.00 178.15 179.14 2qyk h ASP 478 N 0.02 0.85 -0.46 1.72 3.45 -0.99 -1.60 116.42 119.40 2qyk h ASP 478 Ca 0.03 -0.01 -0.13 0.00 0.43 0.00 0.00 57.03 57.35 2qyk h ASP 478 Cb 0.12 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.68 2qyk h ASP 478 CO -0.00 0.59 -0.23 0.24 -1.57 0.00 0.00 179.24 178.26 2qyk h MET 479 N 1.00 0.99 -0.17 3.56 2.86 -1.09 -2.39 114.93 119.69 2qyk h MET 479 Ca 0.31 -0.43 -0.21 0.00 -2.06 0.00 0.00 59.70 57.31 2qyk h MET 479 Cb -0.01 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 31.63 2qyk h MET 479 CO -0.10 1.10 -0.73 0.28 1.06 0.00 0.00 176.91 178.52 2qyk h VAL 480 N 0.85 1.28 0.00 -2.22 2.07 -1.16 -2.93 116.25 114.13 2qyk h VAL 480 Ca 0.11 -1.92 -0.03 0.00 0.82 0.00 0.00 66.70 65.67 2qyk h VAL 480 Cb 0.81 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.51 2qyk h VAL 480 CO 0.07 0.61 -0.14 -0.07 0.02 0.00 0.00 177.57 178.06 2qyk h LEU 481 N 0.54 0.00 0.00 2.57 3.38 -1.32 -0.80 115.31 119.68 2qyk h LEU 481 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2qyk h LEU 481 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2qyk h LEU 481 CO 0.15 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.83 2qyk n ALA 482 N -2.35 2.32 1.28 1.53 0.00 -0.90 -2.32 120.51 120.07 2qyk n ALA 482 Ca -0.02 -0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.42 2qyk n ALA 482 Cb 0.24 -1.39 0.37 0.00 0.00 0.00 0.00 19.45 18.67 2qyk n ALA 482 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2qyk n THR 483 N -1.14 0.00 -2.03 0.00 -2.24 -0.31 -4.79 114.28 103.78 2qyk n THR 483 Ca 0.15 -0.19 -0.43 0.00 -2.27 0.00 0.00 64.05 61.32 2qyk n THR 483 Cb 0.14 0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 68.88 2qyk n THR 483 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qyk s ASP 484 N -2.34 6.25 0.53 3.42 -1.08 -0.98 -4.88 116.67 117.60 2qyk s ASP 484 Ca 0.28 1.69 0.22 0.00 -0.52 0.00 0.00 52.55 54.22 2qyk s ASP 484 Cb 0.20 -2.53 1.39 0.00 -1.46 0.00 0.00 42.92 40.51 2qyk s ASP 484 CO 0.47 -1.35 2.07 0.24 0.52 0.00 0.00 175.17 177.11 2qyk h MET 485 N 11.31 0.00 0.00 4.34 2.86 -1.90 -0.95 114.93 130.59 2qyk h MET 485 Ca -0.35 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.29 2qyk h MET 485 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 2qyk h MET 485 CO 1.00 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 177.84 2qyk n SER 486 N -4.36 0.40 -0.61 1.22 3.41 -1.26 -1.54 113.62 110.88 2qyk n SER 486 Ca 0.04 0.63 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 2qyk n SER 486 Cb 0.38 -0.70 0.09 0.00 -0.26 0.00 0.00 64.21 63.71 2qyk n SER 486 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2qyk n LYS 487 N -1.98 1.52 -0.05 4.33 4.76 -0.36 -4.67 118.16 121.71 2qyk n LYS 487 Ca 0.01 -1.22 -0.11 0.00 -2.87 0.00 0.00 58.31 54.12 2qyk n LYS 487 Cb 0.13 -1.47 -0.06 0.00 -1.84 0.00 0.00 35.03 31.79 2qyk n LYS 487 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2qyk h HIS 488 N 2.97 -1.24 -0.49 2.13 -0.00 -1.36 -1.83 115.15 115.32 2qyk h HIS 488 Ca 0.00 0.06 0.07 0.00 -0.00 0.00 0.00 60.37 60.50 2qyk h HIS 488 Cb 0.79 0.58 -0.06 0.00 -0.00 0.00 0.00 27.41 28.72 2qyk h HIS 488 CO 0.00 -0.46 0.16 0.52 -0.00 0.00 0.00 177.93 178.15 2qyk h MET 489 N -0.43 0.32 -0.52 5.26 2.86 -1.83 -0.52 114.93 120.07 2qyk h MET 489 Ca 0.10 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.61 2qyk h MET 489 Cb 0.61 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 2qyk h MET 489 CO -0.47 0.21 -0.09 1.15 1.06 0.00 0.00 176.91 178.77 2qyk h THR 490 N 0.33 1.26 -0.39 2.22 2.02 -1.86 -0.05 112.91 116.44 2qyk h THR 490 Ca 0.24 -1.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.19 2qyk h THR 490 Cb 0.27 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 2qyk h THR 490 CO -0.26 0.43 0.23 0.25 0.37 0.00 0.00 175.52 176.54 2qyk h LEU 491 N 0.87 0.47 -0.39 2.58 5.85 -0.89 -0.96 115.31 122.84 2qyk h LEU 491 Ca 0.14 -0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 2qyk h LEU 491 Cb 0.64 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2qyk h LEU 491 CO 0.04 0.40 -0.18 0.25 -0.34 0.00 0.00 178.44 178.62 2qyk h LEU 492 N 0.50 0.84 -0.70 2.25 5.85 -0.93 -1.40 115.31 121.73 2qyk h LEU 492 Ca 0.14 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.50 2qyk h LEU 492 Cb 0.02 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 2qyk h LEU 492 CO -0.02 1.05 0.42 0.00 -0.34 0.00 0.00 178.44 179.55 2qyk h ALA 493 N 0.81 0.92 -0.21 1.25 0.00 -0.80 0.13 119.26 121.35 2qyk h ALA 493 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2qyk h ALA 493 Cb 0.73 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2qyk h ALA 493 CO 0.06 0.17 0.09 -0.44 0.00 0.00 0.00 179.25 179.12 2qyk h ASP 494 N 0.81 0.29 -0.12 0.00 3.32 -1.04 -1.38 116.42 118.31 2qyk h ASP 494 Ca 0.29 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.21 2qyk h ASP 494 Cb 0.07 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2qyk h ASP 494 CO -0.13 0.36 -0.06 0.25 -1.72 0.00 0.00 179.24 177.95 2qyk h LEU 495 N 0.20 -0.19 -0.60 1.55 5.85 -0.64 -0.83 115.31 120.66 2qyk h LEU 495 Ca 0.07 0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.93 2qyk h LEU 495 Cb 0.16 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.22 2qyk h LEU 495 CO -0.01 -0.08 0.20 0.50 -0.34 0.00 0.00 178.44 178.72 2qyk h LYS 496 N -0.05 0.36 -0.22 1.25 1.63 -0.65 0.62 116.57 119.51 2qyk h LYS 496 Ca 0.07 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2qyk h LYS 496 Cb 0.14 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.68 2qyk h LYS 496 CO -0.15 0.24 0.14 1.15 -3.45 0.00 0.00 179.45 177.38 2qyk h THR 497 N 0.37 1.08 -0.99 1.00 2.02 -0.69 -2.43 112.91 113.27 2qyk h THR 497 Ca 0.30 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 67.29 2qyk h THR 497 Cb 0.39 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 2qyk h THR 497 CO -0.32 0.08 0.64 -0.03 0.37 0.00 0.00 175.52 176.26 2qyk h MET 498 N 0.28 1.31 -0.41 6.66 1.85 -0.44 -2.54 114.93 121.64 2qyk h MET 498 Ca 0.08 -0.09 -0.00 0.00 -0.61 0.00 0.00 59.70 59.07 2qyk h MET 498 Cb 0.01 -0.29 -0.02 0.00 0.43 0.00 0.00 31.60 31.73 2qyk h MET 498 CO -0.02 0.88 0.23 0.28 -0.40 0.00 0.00 176.91 177.89 2qyk h VAL 499 N 1.34 1.12 0.00 -5.77 2.07 -0.47 -2.28 116.25 112.27 2qyk h VAL 499 Ca 0.36 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 2qyk h VAL 499 Cb -0.13 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2qyk h VAL 499 CO -0.07 0.13 -0.13 -0.33 0.02 0.00 0.00 177.57 177.19 2qyk h GLU 500 N 0.56 0.00 -0.09 1.57 4.39 -1.00 -2.76 114.58 117.26 2qyk h GLU 500 Ca 0.15 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 2qyk h GLU 500 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2qyk h GLU 500 CO -0.03 0.13 -0.09 0.25 -1.16 0.00 0.00 179.01 178.11 2qyk n THR 501 N -3.60 2.09 -0.91 1.13 -2.24 -0.92 -5.05 114.28 104.78 2qyk n THR 501 Ca -0.02 -2.39 -0.32 0.00 -2.27 0.00 0.00 64.05 59.05 2qyk n THR 501 Cb 0.26 -0.25 0.15 0.00 -2.10 0.00 0.00 70.33 68.38 2qyk n THR 501 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2qyk s LYS 502 N -2.96 1.32 0.05 -0.78 -2.85 -0.91 -5.04 119.74 108.58 2qyk s LYS 502 Ca 0.36 1.67 0.06 0.00 -1.00 0.00 0.00 55.97 57.06 2qyk s LYS 502 Cb 0.32 -1.75 -0.02 0.00 -2.06 0.00 0.00 37.83 34.32 2qyk s LYS 502 CO 0.02 -2.43 -0.18 0.15 0.10 0.00 0.00 175.35 173.01 2qyk s LYS 503 N -4.38 1.16 0.04 1.78 1.02 -1.26 -5.06 119.74 113.04 2qyk s LYS 503 Ca 0.70 -0.90 0.03 0.00 0.02 0.00 0.00 55.97 55.83 2qyk s LYS 503 Cb -0.26 -1.25 -0.02 0.00 -0.52 0.00 0.00 37.83 35.78 2qyk s LYS 503 CO 0.54 0.31 -0.10 0.14 -0.92 0.00 0.00 175.35 175.32 2qyk s VAL 504 N -0.88 0.75 0.95 3.17 -7.23 -1.26 -0.00 120.40 115.90 2qyk s VAL 504 Ca 0.05 -0.93 -0.12 0.00 -1.81 0.00 0.00 61.98 59.17 2qyk s VAL 504 Cb -0.09 -0.73 0.16 0.00 0.56 0.00 0.00 36.38 36.28 2qyk s VAL 504 CO 0.02 -0.16 1.09 0.42 -0.31 0.00 0.00 175.10 176.16 2qyk s THR 505 N -0.98 2.35 -1.14 5.32 -4.23 0.23 -4.81 115.64 112.37 2qyk s THR 505 Ca -0.03 0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.59 2qyk s THR 505 Cb -0.08 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.16 2qyk s THR 505 CO 0.01 -0.15 0.75 -0.24 -0.54 0.00 0.00 174.62 174.45 2qyk n SER 506 N -4.04 0.00 -0.06 3.99 2.88 -1.26 -0.71 113.62 114.42 2qyk n SER 506 Ca 0.06 0.28 -0.06 0.00 -1.33 0.00 0.00 58.87 57.82 2qyk n SER 506 Cb 0.56 -0.28 -0.15 0.00 -0.75 0.00 0.00 64.21 63.59 2qyk n SER 506 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2qyk n SER 507 N -1.25 0.22 0.00 -3.46 7.64 -1.26 -4.98 113.62 110.53 2qyk n SER 507 Ca 0.00 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.98 2qyk n SER 507 Cb 0.05 0.88 0.00 0.00 -1.01 0.00 0.00 64.21 64.13 2qyk n SER 507 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qyk n GLY 508 N 1.62 1.08 3.77 0.23 0.00 0.11 -5.11 105.19 106.89 2qyk n GLY 508 Ca -0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 2qyk n GLY 508 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qyk s VAL 509 N -2.00 4.38 0.59 1.61 1.01 -1.26 -4.75 120.40 119.99 2qyk s VAL 509 Ca 0.00 1.74 -0.20 0.00 0.00 0.00 0.00 61.98 63.52 2qyk s VAL 509 Cb 0.00 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 2qyk s VAL 509 CO 0.00 0.50 1.33 -0.76 0.00 0.00 0.00 175.10 176.17 2qyk s LEU 510 N -1.00 3.72 -0.29 3.92 1.43 0.02 0.74 118.68 127.22 2qyk s LEU 510 Ca 0.37 2.70 -0.00 0.00 -1.03 0.00 0.00 54.13 56.16 2qyk s LEU 510 Cb -0.23 -4.44 0.05 0.00 0.03 0.00 0.00 46.19 41.60 2qyk s LEU 510 CO 0.26 -1.78 -0.03 -0.22 0.23 0.00 0.00 176.35 174.81 2qyk s LEU 511 N -3.93 3.76 -0.62 1.79 2.96 1.00 -4.69 118.68 118.95 2qyk s LEU 511 Ca 0.77 -1.31 0.06 0.00 -0.22 0.00 0.00 54.13 53.43 2qyk s LEU 511 Cb -0.39 -1.66 0.21 0.00 0.50 0.00 0.00 46.19 44.85 2qyk s LEU 511 CO 0.44 -0.24 0.59 0.18 -1.32 0.00 0.00 176.35 176.00 2qyk n LEU 512 N 4.57 2.73 0.05 -0.68 4.77 -1.26 -4.44 117.00 122.73 2qyk n LEU 512 Ca -0.13 -5.18 -0.05 0.00 -0.03 0.00 0.00 56.01 50.61 2qyk n LEU 512 Cb 0.43 -0.45 0.16 0.00 -2.33 0.00 0.00 43.42 41.23 2qyk n LEU 512 CO 0.25 1.93 0.60 0.44 -1.33 0.00 0.00 177.39 179.28 2qyk h ASP 513 N 4.73 0.40 -3.33 -1.43 3.45 -1.96 -3.44 116.42 114.84 2qyk h ASP 513 Ca 0.17 -0.18 -0.56 0.00 0.43 0.00 0.00 57.03 56.89 2qyk h ASP 513 Cb 0.74 -0.11 -0.05 0.00 -0.56 0.00 0.00 39.33 39.35 2qyk h ASP 513 CO 0.71 0.79 0.02 0.20 -1.57 0.00 0.00 179.24 179.39 2qyk s ASN 514 N -6.87 7.04 0.34 6.45 0.02 -1.26 -4.96 114.94 115.70 2qyk s ASN 514 Ca -0.06 1.24 0.05 0.00 -1.02 0.00 0.00 52.86 53.07 2qyk s ASN 514 Cb 0.13 -2.39 0.69 0.00 0.02 0.00 0.00 41.25 39.70 2qyk s ASN 514 CO 0.80 0.11 1.91 0.22 0.02 0.00 0.00 177.10 180.16 2qyk h TYR 515 N 5.47 0.89 -0.46 2.20 3.20 -2.00 -2.15 116.97 124.12 2qyk h TYR 515 Ca -0.46 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.53 2qyk h TYR 515 Cb 1.20 -0.29 -0.10 0.00 1.54 0.00 0.00 36.73 39.09 2qyk h TYR 515 CO 0.66 0.42 -0.23 1.03 -1.64 0.00 0.00 178.16 178.40 2qyk h SER 516 N 0.84 -0.79 -0.34 -2.11 0.87 -1.97 0.15 113.55 110.20 2qyk h SER 516 Ca 0.39 0.18 -0.13 0.00 -1.23 0.00 0.00 61.79 60.99 2qyk h SER 516 Cb 0.39 0.42 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 2qyk h SER 516 CO -0.16 -0.25 -0.27 0.44 -0.53 0.00 0.00 176.83 176.06 2qyk h ASP 517 N -0.14 0.88 -0.01 6.23 3.32 -1.79 -2.66 116.42 122.26 2qyk h ASP 517 Ca 0.21 -0.35 0.01 0.00 0.02 0.00 0.00 57.03 56.92 2qyk h ASP 517 Cb 0.47 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2qyk h ASP 517 CO -0.54 1.10 -0.03 0.03 -1.72 0.00 0.00 179.24 178.08 2qyk h ARG 518 N 0.73 -0.04 -0.08 3.56 3.08 -0.78 -1.04 114.38 119.80 2qyk h ARG 518 Ca 0.09 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 2qyk h ARG 518 Cb 0.82 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 2qyk h ARG 518 CO 0.07 -0.03 -0.34 0.97 -1.07 0.00 0.00 179.97 179.57 2qyk h ILE 519 N -0.04 1.27 -0.51 2.04 6.09 -1.06 -0.82 117.51 124.48 2qyk h ILE 519 Ca 0.01 -1.29 -0.03 0.00 -1.37 0.00 0.00 64.86 62.19 2qyk h ILE 519 Cb 0.06 1.58 -0.02 0.00 0.47 0.00 0.00 36.82 38.91 2qyk h ILE 519 CO -0.03 0.38 0.19 -0.61 -3.07 0.00 0.00 178.15 175.01 2qyk h GLN 520 N 0.14 0.78 -0.51 2.19 4.15 -1.10 0.18 115.11 120.94 2qyk h GLN 520 Ca 0.02 -0.15 -0.05 0.00 0.77 0.00 0.00 58.65 59.24 2qyk h GLN 520 Cb 0.67 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.22 2qyk h GLN 520 CO 0.05 0.70 0.11 0.28 -1.93 0.00 0.00 178.83 178.04 2qyk h VAL 521 N 0.69 1.24 -0.58 2.39 2.07 -0.74 -2.42 116.25 118.91 2qyk h VAL 521 Ca 0.17 -0.88 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 2qyk h VAL 521 Cb 0.22 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2qyk h VAL 521 CO -0.01 0.32 0.18 -0.07 0.02 0.00 0.00 177.57 178.00 2qyk h LEU 522 N 0.71 0.85 -0.27 2.57 3.38 -0.82 0.95 115.31 122.68 2qyk h LEU 522 Ca 0.16 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.95 2qyk h LEU 522 Cb 0.35 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2qyk h LEU 522 CO 0.00 0.83 0.08 0.03 0.09 0.00 0.00 178.44 179.48 2qyk h ARG 523 N 0.82 0.19 -0.05 1.13 3.08 -0.49 -1.85 114.38 117.21 2qyk h ARG 523 Ca 0.19 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 60.12 2qyk h ARG 523 Cb 0.29 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2qyk h ARG 523 CO -0.01 0.12 -0.46 -0.91 -1.07 0.00 0.00 179.97 177.65 2qyk h ASN 524 N 0.19 0.12 0.02 7.04 2.35 -1.27 -1.87 115.58 122.17 2qyk h ASN 524 Ca 0.12 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2qyk h ASN 524 Cb 0.11 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2qyk h ASN 524 CO -0.14 0.57 -0.01 -0.03 -1.65 0.00 0.00 177.43 176.17 2qyk h MET 525 N 0.10 -0.03 -0.33 0.81 4.05 -0.28 0.61 114.93 119.86 2qyk h MET 525 Ca 0.00 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.35 2qyk h MET 525 Cb 0.86 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.65 2qyk h MET 525 CO 0.07 0.10 -0.10 0.28 0.23 0.00 0.00 176.91 177.48 2qyk h VAL 526 N -0.15 1.23 -0.35 -5.77 2.07 -1.32 -0.22 116.25 111.74 2qyk h VAL 526 Ca -0.00 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.46 2qyk h VAL 526 Cb 0.14 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2qyk h VAL 526 CO 0.01 0.34 0.09 -0.74 0.02 0.00 0.00 177.57 177.29 2qyk h HIS 527 N 0.52 0.58 -0.67 1.57 6.17 -0.89 -0.93 115.15 121.50 2qyk h HIS 527 Ca 0.10 -0.07 -0.02 0.00 0.71 0.00 0.00 60.37 61.09 2qyk h HIS 527 Cb 0.49 -0.17 -0.03 0.00 2.52 0.00 0.00 27.41 30.22 2qyk h HIS 527 CO 0.02 0.58 0.34 0.00 0.71 0.00 0.00 177.93 179.58 2qyk h ALA 529 N 1.16 1.22 -0.08 0.00 0.00 -0.82 -0.91 119.26 119.84 2qyk h ALA 529 Ca 0.23 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 2qyk h ALA 529 Cb 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2qyk h ALA 529 CO -0.03 0.57 -0.33 0.22 0.00 0.00 0.00 179.25 179.67 2qyk h ASP 530 N 0.93 0.15 -1.39 0.00 3.58 -0.71 -2.84 116.42 116.14 2qyk h ASP 530 Ca 0.22 -0.05 -0.64 0.00 0.42 0.00 0.00 57.03 56.97 2qyk h ASP 530 Cb 0.20 -0.04 -0.36 0.00 1.72 0.00 0.00 39.33 40.85 2qyk h ASP 530 CO -0.02 0.48 -0.02 0.18 -2.88 0.00 0.00 179.24 176.98 2qyk n LEU 531 N -4.11 5.98 -0.00 2.28 4.77 -0.49 -4.67 117.00 120.77 2qyk n LEU 531 Ca -0.01 -4.87 0.08 0.00 -0.03 0.00 0.00 56.01 51.18 2qyk n LEU 531 Cb 0.40 -0.68 -0.10 0.00 -2.33 0.00 0.00 43.42 40.71 2qyk n LEU 531 CO 0.40 1.96 -0.05 -1.54 -1.33 0.00 0.00 177.39 176.83 2qyk n SER 532 N -0.62 0.84 -0.20 -1.43 3.41 -0.45 -4.62 113.62 110.55 2qyk n SER 532 Ca 0.48 -0.91 -0.01 0.00 -0.26 0.00 0.00 58.87 58.17 2qyk n SER 532 Cb 0.62 1.01 0.05 0.00 -0.26 0.00 0.00 64.21 65.63 2qyk n SER 532 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2qyk h ASN 533 N 0.00 -0.65 0.21 4.04 -0.26 -1.83 0.71 115.58 117.81 2qyk h ASN 533 Ca 0.00 0.19 0.00 0.00 -0.56 0.00 0.00 56.30 55.93 2qyk h ASN 533 Cb 0.43 0.41 0.00 0.00 -1.06 0.00 0.00 38.32 38.10 2qyk h ASN 533 CO 0.00 -0.22 0.00 -2.65 -1.06 0.00 0.00 177.43 173.50 2qyk n PRO 534 N -5.43 0.11 0.00 0.81 -0.02 -1.26 -1.64 135.00 127.56 2qyk n PRO 534 Ca 0.07 0.52 0.12 0.00 -2.02 0.00 0.00 63.50 62.19 2qyk n PRO 534 Cb 0.33 -1.79 0.20 0.00 -0.02 0.00 0.00 33.50 32.22 2qyk n PRO 534 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2qyk n THR 535 N -2.01 0.00 -2.51 3.45 -2.24 0.23 -4.16 114.28 107.04 2qyk n THR 535 Ca 0.00 -0.29 -0.23 0.00 -2.27 0.00 0.00 64.05 61.26 2qyk n THR 535 Cb 0.08 0.99 0.04 0.00 -2.10 0.00 0.00 70.33 69.35 2qyk n THR 535 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2qyk s LYS 536 N -2.28 2.52 0.44 -0.78 -0.14 -0.65 -4.62 119.74 114.24 2qyk s LYS 536 Ca 0.26 -0.50 -0.24 0.00 -1.36 0.00 0.00 55.97 54.12 2qyk s LYS 536 Cb 0.19 -2.37 -0.10 0.00 -1.68 0.00 0.00 37.83 33.88 2qyk s LYS 536 CO 0.45 -0.83 1.13 -2.30 -0.76 0.00 0.00 175.35 173.04 2qyk n PRO 537 N -2.52 1.57 -0.32 -1.68 -0.02 -1.26 -4.56 135.00 126.21 2qyk n PRO 537 Ca 0.07 0.56 0.17 0.00 -2.02 0.00 0.00 63.50 62.28 2qyk n PRO 537 Cb 0.59 -2.22 0.37 0.00 -0.02 0.00 0.00 33.50 32.22 2qyk n PRO 537 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2qyk h LEU 538 N 1.68 0.33 -1.49 2.45 5.85 -1.94 0.30 115.31 122.49 2qyk h LEU 538 Ca -0.46 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 2qyk h LEU 538 Cb 1.32 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 2qyk h LEU 538 CO 0.58 -0.08 0.21 1.05 -0.34 0.00 0.00 178.44 179.85 2qyk h GLU 539 N 0.34 0.55 0.00 1.25 4.11 -2.00 0.15 114.58 118.98 2qyk h GLU 539 Ca 0.63 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 60.00 2qyk h GLU 539 Cb 1.30 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2qyk h GLU 539 CO -0.59 0.42 -0.01 -0.07 0.07 0.00 0.00 179.01 178.83 2qyk h LEU 540 N 0.56 0.01 -0.70 3.06 3.38 -1.33 -3.21 115.31 117.08 2qyk h LEU 540 Ca 0.14 -0.94 0.14 0.00 0.09 0.00 0.00 57.88 57.31 2qyk h LEU 540 Cb 0.03 -0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.69 2qyk h LEU 540 CO -0.02 0.95 0.19 0.22 0.09 0.00 0.00 178.44 179.87 2qyk h TYR 541 N -0.93 0.31 -0.19 1.13 3.20 -1.03 0.79 116.97 120.25 2qyk h TYR 541 Ca -0.00 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 2qyk h TYR 541 Cb 0.95 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 2qyk h TYR 541 CO 0.26 -0.03 -0.08 0.00 -1.64 0.00 0.00 178.16 176.67 2qyk h ARG 542 N 0.31 0.28 -0.28 1.82 3.08 -1.09 0.01 114.38 118.52 2qyk h ARG 542 Ca 0.38 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 60.20 2qyk h ARG 542 Cb 0.60 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2qyk h ARG 542 CO -0.45 0.38 -0.51 1.96 -1.07 0.00 0.00 179.97 180.28 2qyk h GLN 543 N 0.27 0.84 -0.62 0.04 4.20 -0.91 -1.65 115.11 117.28 2qyk h GLN 543 Ca 0.06 -0.53 -0.01 0.00 0.06 0.00 0.00 58.65 58.23 2qyk h GLN 543 Cb 0.32 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 2qyk h GLN 543 CO 0.02 1.16 0.34 -1.49 -0.67 0.00 0.00 178.83 178.18 2qyk h TRP 544 N 0.61 0.86 -0.36 2.96 -0.00 -0.49 -1.84 115.95 117.68 2qyk h TRP 544 Ca 0.02 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 58.87 2qyk h TRP 544 Cb 1.12 -0.27 -0.02 0.00 -0.00 0.00 0.00 29.16 29.99 2qyk h TRP 544 CO 0.08 0.62 0.16 1.15 -0.00 0.00 0.00 178.44 180.45 2qyk h THR 545 N 0.85 1.18 -0.64 1.49 2.02 -0.95 -1.56 112.91 115.29 2qyk h THR 545 Ca 0.22 -0.51 0.05 0.00 0.77 0.00 0.00 66.41 66.93 2qyk h THR 545 Cb 0.05 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 2qyk h THR 545 CO -0.03 0.19 0.42 0.44 0.37 0.00 0.00 175.52 176.90 2qyk h ASP 546 N 0.44 0.60 0.17 4.18 3.32 -1.01 -1.82 116.42 122.31 2qyk h ASP 546 Ca 0.12 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2qyk h ASP 546 Cb 0.14 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2qyk h ASP 546 CO -0.01 0.41 -0.08 0.03 -1.72 0.00 0.00 179.24 177.86 2qyk h ARG 547 N 0.70 -0.22 -0.76 3.56 3.08 -0.68 -2.42 114.38 117.64 2qyk h ARG 547 Ca 0.26 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.37 2qyk h ARG 547 Cb 0.17 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 2qyk h ARG 547 CO -0.08 0.18 0.50 0.97 -1.07 0.00 0.00 179.97 180.47 2qyk h ILE 548 N -0.69 1.08 -0.26 2.04 6.09 -1.10 -1.15 117.51 123.52 2qyk h ILE 548 Ca -0.02 -0.30 -0.03 0.00 -1.37 0.00 0.00 64.86 63.14 2qyk h ILE 548 Cb 0.49 0.12 -0.01 0.00 0.47 0.00 0.00 36.82 37.90 2qyk h ILE 548 CO 0.04 0.16 0.06 0.24 -3.07 0.00 0.00 178.15 175.58 2qyk h MET 549 N 0.89 0.42 -0.71 2.19 2.86 -1.36 0.10 114.93 119.31 2qyk h MET 549 Ca 0.31 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.89 2qyk h MET 549 Cb 0.12 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 2qyk h MET 549 CO -0.10 0.51 0.47 0.00 1.06 0.00 0.00 176.91 178.85 2qyk h ALA 550 N 0.89 1.59 -0.29 6.32 0.00 -0.88 0.13 119.26 127.02 2qyk h ALA 550 Ca 0.08 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2qyk h ALA 550 Cb 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2qyk h ALA 550 CO 0.00 0.33 -0.24 1.49 0.00 0.00 0.00 179.25 180.84 2qyk h GLU 551 N 0.86 0.67 -0.55 0.00 4.81 -0.66 -2.54 114.58 117.16 2qyk h GLU 551 Ca 0.28 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2qyk h GLU 551 Cb 0.06 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 2qyk h GLU 551 CO -0.08 0.94 0.33 0.74 -0.73 0.00 0.00 179.01 180.21 2qyk h PHE 552 N 0.42 0.73 -0.06 0.92 0.04 0.11 -2.58 116.94 116.51 2qyk h PHE 552 Ca 0.05 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.77 2qyk h PHE 552 Cb 0.79 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 2qyk h PHE 552 CO 0.07 0.50 -0.20 0.74 -0.60 0.00 0.00 178.31 178.82 2qyk h PHE 553 N 0.74 0.10 -0.29 -0.55 0.04 -0.73 -0.04 116.94 116.20 2qyk h PHE 553 Ca 0.20 -0.01 -0.16 0.00 2.80 0.00 0.00 57.97 60.80 2qyk h PHE 553 Cb -0.01 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.11 2qyk h PHE 553 CO -0.02 0.30 -0.43 0.37 -0.60 0.00 0.00 178.31 177.93 2qyk h GLN 554 N 0.09 0.80 -0.30 1.51 4.15 -1.13 0.33 115.11 120.56 2qyk h GLN 554 Ca 0.02 -0.48 -0.01 0.00 0.77 0.00 0.00 58.65 58.95 2qyk h GLN 554 Cb 0.42 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 2qyk h GLN 554 CO 0.03 1.11 0.16 0.37 -1.93 0.00 0.00 178.83 178.56 2qyk h GLN 555 N 0.57 0.42 -0.51 1.69 4.15 -1.05 -1.14 115.11 119.24 2qyk h GLN 555 Ca 0.03 -0.06 0.07 0.00 0.77 0.00 0.00 58.65 59.46 2qyk h GLN 555 Cb 1.03 -0.08 -0.06 0.00 0.21 0.00 0.00 27.48 28.58 2qyk h GLN 555 CO 0.10 0.38 0.19 0.78 -1.93 0.00 0.00 178.83 178.35 2qyk h GLY 556 N 0.36 0.69 0.98 2.39 0.00 -0.88 0.17 103.07 106.78 2qyk h GLY 556 Ca 0.10 -0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2qyk h GLY 556 CO -0.02 0.01 0.61 -0.55 0.00 0.00 0.00 176.54 176.60 2qyk h ASP 557 N 0.37 1.05 -0.53 0.19 3.32 -0.49 -1.00 116.42 119.33 2qyk h ASP 557 Ca 0.25 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.19 2qyk h ASP 557 Cb 0.26 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2qyk h ASP 557 CO -0.25 0.75 -0.01 0.03 -1.72 0.00 0.00 179.24 178.04 2qyk h ARG 558 N 1.23 0.95 -0.77 3.56 3.08 0.06 -1.60 114.38 120.89 2qyk h ARG 558 Ca 0.35 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2qyk h ARG 558 Cb -0.11 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 29.82 2qyk h ARG 558 CO -0.08 0.97 0.39 0.93 -1.07 0.00 0.00 179.97 181.11 2qyk h GLU 559 N 0.82 1.08 -0.22 0.04 5.08 -0.23 -1.56 114.58 119.59 2qyk h GLU 559 Ca 0.15 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2qyk h GLU 559 Cb 0.55 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2qyk h GLU 559 CO 0.03 0.81 0.08 -0.09 -1.00 0.00 0.00 179.01 178.85 2qyk h ARG 560 N 1.08 0.33 -0.84 2.33 2.43 -0.91 0.28 114.38 119.08 2qyk h ARG 560 Ca 0.27 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.43 2qyk h ARG 560 Cb 0.07 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 2qyk h ARG 560 CO -0.04 0.40 0.55 0.93 -1.51 0.00 0.00 179.97 180.29 2qyk h GLU 561 N 0.20 0.93 0.00 0.20 5.08 -0.96 -1.07 114.58 118.96 2qyk h GLU 561 Ca 0.07 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2qyk h GLU 561 Cb 0.19 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2qyk h GLU 561 CO -0.00 0.62 -0.04 0.54 -1.00 0.00 0.00 179.01 179.12 2qyk n ARG 562 N -4.48 0.07 -1.02 2.33 1.74 -0.62 -4.92 116.66 109.77 2qyk n ARG 562 Ca 0.12 0.05 -0.01 0.00 -0.77 0.00 0.00 57.85 57.25 2qyk n ARG 562 Cb 0.18 -1.57 -0.00 0.00 -1.02 0.00 0.00 32.46 30.05 2qyk n ARG 562 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qyk n GLY 563 N 1.45 0.44 3.93 -0.13 0.00 0.10 -5.04 105.19 105.94 2qyk n GLY 563 Ca 0.06 -0.98 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 2qyk n GLY 563 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qyk s MET 564 N -1.91 3.08 0.12 1.61 -1.94 0.76 -5.00 119.30 116.02 2qyk s MET 564 Ca 0.00 -0.13 -0.30 0.00 -1.71 0.00 0.00 55.69 53.55 2qyk s MET 564 Cb 0.00 -2.39 -0.07 0.00 2.01 0.00 0.00 34.83 34.38 2qyk s MET 564 CO 0.00 -0.46 1.25 -1.21 -0.01 0.00 0.00 175.02 174.59 2qyk s GLU 565 N -4.80 4.42 -0.09 2.03 2.02 -1.26 -4.40 118.70 116.62 2qyk s GLU 565 Ca 0.51 1.89 -0.30 0.00 0.02 0.00 0.00 54.97 57.09 2qyk s GLU 565 Cb -0.10 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.81 2qyk s GLU 565 CO 0.43 -0.25 1.38 0.42 0.02 0.00 0.00 175.26 177.27 2qyk s ILE 566 N 0.66 3.97 0.97 -1.63 1.01 -1.26 -4.96 121.20 119.96 2qyk s ILE 566 Ca 0.58 1.24 -0.12 0.00 0.00 0.00 0.00 60.65 62.35 2qyk s ILE 566 Cb -0.33 -3.80 0.12 0.00 0.01 0.00 0.00 42.46 38.47 2qyk s ILE 566 CO 0.32 -0.07 0.81 -1.20 0.00 0.00 0.00 174.94 174.80 2qyk n SER 567 N 6.30 -0.90 -4.66 3.58 7.64 -1.26 -4.86 113.62 119.46 2qyk n SER 567 Ca 0.14 0.29 -0.47 0.00 1.01 0.00 0.00 58.87 59.84 2qyk n SER 567 Cb 0.44 -1.33 -0.04 0.00 -1.01 0.00 0.00 64.21 62.27 2qyk n SER 567 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2qyk n PRO 568 N -3.33 2.06 -1.00 1.43 -0.02 -1.26 -2.06 135.00 130.82 2qyk n PRO 568 Ca 0.08 0.74 -0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2qyk n PRO 568 Cb 0.53 -2.51 -0.00 0.00 -0.02 0.00 0.00 33.50 31.50 2qyk n PRO 568 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2qyk n MET 569 N 3.89 -1.24 -0.05 -0.52 2.81 -1.26 -4.84 117.12 115.90 2qyk n MET 569 Ca 0.18 0.31 0.12 0.00 -1.81 0.00 0.00 57.70 56.51 2qyk n MET 569 Cb 0.28 -4.25 0.22 0.00 -0.71 0.00 0.00 33.22 28.76 2qyk n MET 569 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2qyk s ASP 571 N -1.85 6.19 0.62 0.00 -1.08 -1.26 -3.59 116.67 115.69 2qyk s ASP 571 Ca 0.32 -1.41 0.37 0.00 -0.52 0.00 0.00 52.55 51.31 2qyk s ASP 571 Cb 0.21 -2.26 2.07 0.00 -1.46 0.00 0.00 42.92 41.47 2qyk s ASP 571 CO 0.31 -0.96 2.29 0.07 0.52 0.00 0.00 175.17 177.40 2qyk h LYS 572 N 9.03 0.00 -0.02 4.34 2.10 -1.87 -0.57 116.57 129.58 2qyk h LYS 572 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 2qyk h LYS 572 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 2qyk h LYS 572 CO 1.04 0.01 0.00 0.72 -2.00 0.00 0.00 179.45 179.22 2qyk n HIS 573 N -3.45 0.03 0.00 0.07 8.25 -1.26 -4.12 115.22 114.73 2qyk n HIS 573 Ca -0.03 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2qyk n HIS 573 Cb 0.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.21 2qyk n HIS 573 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2qyk n THR 574 N -0.55 0.00 -1.65 1.59 -2.24 -0.82 -5.13 114.28 105.49 2qyk n THR 574 Ca 0.07 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.42 2qyk n THR 574 Cb 0.05 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.28 2qyk n THR 574 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qyk n ALA 575 N -0.13 0.58 -3.85 6.98 0.00 -0.29 -4.97 120.51 118.84 2qyk n ALA 575 Ca 0.00 0.33 -0.29 0.00 0.00 0.00 0.00 53.44 53.49 2qyk n ALA 575 Cb 0.00 -2.14 -0.13 0.00 0.00 0.00 0.00 19.45 17.18 2qyk n ALA 575 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qyk s SER 576 N -0.50 4.22 0.27 0.00 0.15 -1.26 -5.00 113.70 111.58 2qyk s SER 576 Ca 0.58 -3.36 -0.09 0.00 0.70 0.00 0.00 55.95 53.79 2qyk s SER 576 Cb -0.60 -1.45 0.42 0.00 -1.71 0.00 0.00 66.02 62.68 2qyk s SER 576 CO 0.60 -0.16 1.57 0.58 1.20 0.00 0.00 173.24 177.03 2qyk h VAL 577 N 4.87 0.08 -0.47 4.45 2.07 -1.99 0.15 116.25 125.41 2qyk h VAL 577 Ca 0.06 -0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.50 2qyk h VAL 577 Cb 0.83 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2qyk h VAL 577 CO 0.65 0.00 -0.03 -0.33 0.02 0.00 0.00 177.57 177.88 2qyk h GLU 578 N 0.00 0.85 -0.56 1.57 3.07 -1.91 -2.12 114.58 115.48 2qyk h GLU 578 Ca 0.45 -0.29 -0.07 0.00 -0.50 0.00 0.00 59.36 58.96 2qyk h GLU 578 Cb 0.69 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.51 2qyk h GLU 578 CO -0.95 0.91 0.09 0.87 -1.40 0.00 0.00 179.01 178.54 2qyk h LYS 579 N 0.70 0.92 -0.64 2.33 1.57 -1.52 -2.28 116.57 117.66 2qyk h LYS 579 Ca 0.13 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 2qyk h LYS 579 Cb 0.55 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 2qyk h LYS 579 CO 0.03 0.89 0.29 0.77 -0.57 0.00 0.00 179.45 180.86 2qyk h SER 580 N 0.82 0.82 0.06 0.86 0.02 -0.92 -1.56 113.55 113.65 2qyk h SER 580 Ca 0.17 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.92 2qyk h SER 580 Cb 0.41 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2qyk h SER 580 CO 0.01 0.71 -0.37 1.56 -1.14 0.00 0.00 176.83 177.60 2qyk h GLN 581 N 0.90 0.42 0.02 3.45 1.08 -1.17 0.61 115.11 120.42 2qyk h GLN 581 Ca 0.22 -0.19 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2qyk h GLN 581 Cb 0.11 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2qyk h GLN 581 CO -0.03 0.73 -0.01 0.28 -0.95 0.00 0.00 178.83 178.86 2qyk h VAL 582 N 0.35 1.08 -0.50 -0.54 2.07 -0.78 -1.24 116.25 116.69 2qyk h VAL 582 Ca 0.04 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 67.17 2qyk h VAL 582 Cb 0.82 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 2qyk h VAL 582 CO 0.07 0.07 -0.12 1.23 0.02 0.00 0.00 177.57 178.84 2qyk h GLY 583 N -0.14 1.03 0.76 2.17 0.00 -1.15 -1.16 103.07 104.57 2qyk h GLY 583 Ca -0.00 -0.82 0.03 0.00 0.00 0.00 0.00 47.33 46.54 2qyk h GLY 583 CO 0.00 0.75 0.04 -2.75 0.00 0.00 0.00 176.54 174.58 2qyk h PHE 584 N 0.84 0.06 -0.40 5.60 3.57 -0.75 -0.11 116.94 125.76 2qyk h PHE 584 Ca 0.13 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 2qyk h PHE 584 Cb 0.66 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 2qyk h PHE 584 CO 0.04 0.02 -0.09 0.82 -2.23 0.00 0.00 178.31 176.86 2qyk h ILE 585 N 0.12 1.27 -0.37 1.41 2.04 -1.12 -0.11 117.51 120.75 2qyk h ILE 585 Ca 0.09 -1.18 -0.04 0.00 1.00 0.00 0.00 64.86 64.73 2qyk h ILE 585 Cb 0.09 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 2qyk h ILE 585 CO -0.13 0.39 0.07 0.44 0.00 0.00 0.00 178.15 178.93 2qyk h ASP 586 N 0.58 0.58 0.85 1.72 3.32 -0.97 0.40 116.42 122.89 2qyk h ASP 586 Ca 0.10 -0.25 -0.09 0.00 0.02 0.00 0.00 57.03 56.81 2qyk h ASP 586 Cb 0.61 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 2qyk h ASP 586 CO 0.04 0.68 -1.21 1.88 -1.72 0.00 0.00 179.24 178.90 2qyk h TYR 587 N 0.46 0.00 0.00 4.55 -1.99 -1.06 -3.41 116.97 115.51 2qyk h TYR 587 Ca 0.11 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.84 2qyk h TYR 587 Cb 0.33 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.06 2qyk h TYR 587 CO 0.02 0.31 0.00 -0.89 -0.00 0.00 0.00 178.16 177.60 2qyk n ILE 588 N -2.80 0.81 -0.17 -2.88 5.41 -0.10 -4.80 119.36 114.83 2qyk n ILE 588 Ca -0.05 0.27 -0.10 0.00 1.00 0.00 0.00 62.75 63.87 2qyk n ILE 588 Cb 0.71 -1.30 0.00 0.00 -0.71 0.00 0.00 39.64 38.34 2qyk n ILE 588 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 2qyk h VAL 589 N 0.00 1.26 -0.28 1.39 2.07 -1.43 -2.39 116.25 116.86 2qyk h VAL 589 Ca 0.00 -1.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.43 2qyk h VAL 589 Cb 0.00 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2qyk h VAL 589 CO 0.00 0.35 -0.16 -0.74 0.02 0.00 0.00 177.57 177.04 2qyk h HIS 590 N 0.70 0.71 -0.75 1.57 -0.00 -0.46 -0.35 115.15 116.57 2qyk h HIS 590 Ca 0.14 -0.18 0.01 0.00 -0.00 0.00 0.00 60.37 60.34 2qyk h HIS 590 Cb 0.45 -0.16 -0.04 0.00 -0.00 0.00 0.00 27.41 27.67 2qyk h HIS 590 CO 0.03 0.86 0.49 -1.35 -0.00 0.00 0.00 177.93 177.96 2qyk h PRO 591 N 0.35 1.00 0.73 5.26 0.11 -1.74 0.25 132.00 137.95 2qyk h PRO 591 Ca 0.06 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 2qyk h PRO 591 Cb 0.68 -0.22 0.01 0.00 0.11 0.00 0.00 31.00 31.58 2qyk h PRO 591 CO 0.05 0.67 -0.36 1.25 -0.21 0.00 0.00 178.00 179.39 2qyk h LEU 592 N 1.02 -0.86 -1.17 2.35 5.85 -1.28 -1.81 115.31 119.42 2qyk h LEU 592 Ca 0.28 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.95 2qyk h LEU 592 Cb -0.10 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2qyk h LEU 592 CO -0.06 -0.60 -0.21 -0.50 -0.34 0.00 0.00 178.44 176.73 2qyk h TRP 593 N -0.99 0.35 -0.73 1.25 4.06 -0.95 -1.32 115.95 117.62 2qyk h TRP 593 Ca -0.10 -0.06 -0.03 0.00 2.06 0.00 0.00 58.89 60.76 2qyk h TRP 593 Cb 0.76 -0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 28.80 2qyk h TRP 593 CO -0.03 0.52 0.32 1.49 -3.56 0.00 0.00 178.44 177.18 2qyk h GLU 594 N 0.29 1.05 -0.29 0.49 4.81 -0.41 0.27 114.58 120.78 2qyk h GLU 594 Ca 0.05 -0.16 -0.18 0.00 -0.13 0.00 0.00 59.36 58.94 2qyk h GLU 594 Cb 0.54 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2qyk h GLU 594 CO 0.04 0.83 -0.54 1.15 -0.73 0.00 0.00 179.01 179.76 2qyk h THR 595 N 1.04 1.27 -0.57 0.32 2.02 -0.81 -1.84 112.91 114.34 2qyk h THR 595 Ca 0.25 -1.72 -0.05 0.00 0.77 0.00 0.00 66.41 65.66 2qyk h THR 595 Cb 0.14 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 2qyk h THR 595 CO -0.03 0.56 0.16 -0.25 0.37 0.00 0.00 175.52 176.33 2qyk h TRP 596 N 0.67 0.93 -0.95 3.16 2.91 -0.87 -1.63 115.95 120.18 2qyk h TRP 596 Ca 0.02 -0.10 0.09 0.00 1.13 0.00 0.00 58.89 60.02 2qyk h TRP 596 Cb 1.15 -0.27 -0.07 0.00 -0.51 0.00 0.00 29.16 29.46 2qyk h TRP 596 CO 0.07 0.79 0.61 0.00 -1.03 0.00 0.00 178.44 178.89 2qyk h ALA 597 N 1.03 1.53 -0.40 2.65 0.00 -0.34 -0.60 119.26 123.13 2qyk h ALA 597 Ca 0.18 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 2qyk h ALA 597 Cb 0.31 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2qyk h ALA 597 CO -0.00 0.29 -0.02 0.22 0.00 0.00 0.00 179.25 179.73 2qyk h ASP 598 N 1.01 0.72 -0.29 0.00 1.82 -0.81 0.20 116.42 119.07 2qyk h ASP 598 Ca 0.44 -0.32 0.04 0.00 -0.39 0.00 0.00 57.03 56.79 2qyk h ASP 598 Cb 0.34 -0.19 -0.04 0.00 0.68 0.00 0.00 39.33 40.12 2qyk h ASP 598 CO -0.19 0.87 0.07 0.25 -1.61 0.00 0.00 179.24 178.62 2qyk h LEU 599 N 0.55 0.03 -3.10 2.28 5.85 -0.20 -3.05 115.31 117.67 2qyk h LEU 599 Ca 0.11 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2qyk h LEU 599 Cb 0.51 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2qyk h LEU 599 CO 0.03 0.05 0.00 1.33 -0.34 0.00 0.00 178.44 179.51 2qyk n VAL 600 N -5.07 1.73 -1.49 1.05 0.24 -0.61 -4.96 118.33 109.22 2qyk n VAL 600 Ca -0.00 -1.26 -0.55 0.00 -2.04 0.00 0.00 64.34 60.49 2qyk n VAL 600 Cb 0.12 0.15 -0.06 0.00 -1.47 0.00 0.00 33.84 32.58 2qyk n VAL 600 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2qyk n HIS 601 N 0.81 0.48 -0.83 6.34 -0.00 0.68 -1.48 115.22 121.22 2qyk n HIS 601 Ca 0.23 0.98 0.08 0.00 -0.00 0.00 0.00 57.72 59.01 2qyk n HIS 601 Cb 0.80 -2.09 0.37 0.00 -0.00 0.00 0.00 29.99 29.08 2qyk n HIS 601 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2qyk n PRO 602 N 1.46 4.35 -0.31 1.57 -0.04 -1.26 -4.99 135.00 135.77 2qyk n PRO 602 Ca 0.19 -3.04 0.18 0.00 -0.04 0.00 0.00 63.50 60.78 2qyk n PRO 602 Cb 0.14 -2.11 0.44 0.00 -0.04 0.00 0.00 33.50 31.93 2qyk n PRO 602 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2qyk h ASP 603 N 3.75 0.57 -0.55 3.54 3.32 -1.57 -1.66 116.42 123.83 2qyk h ASP 603 Ca 0.00 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.13 2qyk h ASP 603 Cb 1.77 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.30 2qyk h ASP 603 CO 0.39 0.18 0.00 0.00 -1.72 0.00 0.00 179.24 178.08 2qyk n ALA 604 N -2.42 2.64 -0.10 3.45 0.00 -1.26 -4.53 120.51 118.29 2qyk n ALA 604 Ca 0.23 -1.09 -0.06 0.00 0.00 0.00 0.00 53.44 52.52 2qyk n ALA 604 Cb 0.71 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 19.19 2qyk n ALA 604 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2qyk h GLN 605 N 3.28 0.02 -0.23 0.00 5.75 -1.64 -0.76 115.11 121.53 2qyk h GLN 605 Ca 0.00 -0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 2qyk h GLN 605 Cb 0.94 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.47 2qyk h GLN 605 CO 0.08 0.01 -0.06 0.93 -2.65 0.00 0.00 178.83 177.14 2qyk h GLU 606 N 0.02 0.36 -0.39 1.69 5.08 -1.82 -0.69 114.58 118.84 2qyk h GLU 606 Ca 0.17 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 2qyk h GLU 606 Cb 0.25 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2qyk h GLU 606 CO -0.34 0.44 -0.19 0.82 -1.00 0.00 0.00 179.01 178.75 2qyk h ILE 607 N 0.35 1.28 -0.60 3.13 2.04 -1.70 -2.23 117.51 119.78 2qyk h ILE 607 Ca 0.07 -1.32 -0.04 0.00 1.00 0.00 0.00 64.86 64.57 2qyk h ILE 607 Cb 0.33 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 2qyk h ILE 607 CO 0.01 0.44 0.22 0.25 0.00 0.00 0.00 178.15 179.07 2qyk h LEU 608 N 0.61 0.85 -0.63 1.44 5.85 -0.59 -1.86 115.31 120.97 2qyk h LEU 608 Ca 0.09 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 2qyk h LEU 608 Cb 0.74 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2qyk h LEU 608 CO 0.06 0.81 0.36 0.44 -0.34 0.00 0.00 178.44 179.77 2qyk h ASP 609 N 0.85 0.78 -0.51 1.25 3.32 -1.04 -2.20 116.42 118.86 2qyk h ASP 609 Ca 0.20 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 2qyk h ASP 609 Cb 0.24 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2qyk h ASP 609 CO -0.01 0.63 0.30 0.74 -1.72 0.00 0.00 179.24 179.18 2qyk h THR 610 N 0.86 1.16 -0.57 0.35 2.02 -1.13 -1.24 112.91 114.35 2qyk h THR 610 Ca 0.22 -0.37 0.06 0.00 0.77 0.00 0.00 66.41 67.10 2qyk h THR 610 Cb 0.02 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 66.87 2qyk h THR 610 CO -0.04 0.16 0.29 0.25 0.37 0.00 0.00 175.52 176.55 2qyk h LEU 611 N 0.68 0.40 -0.72 2.58 5.85 -1.00 0.02 115.31 123.11 2qyk h LEU 611 Ca 0.18 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.83 2qyk h LEU 611 Cb 0.00 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2qyk h LEU 611 CO -0.03 0.26 -0.20 -0.33 -0.34 0.00 0.00 178.44 177.79 2qyk h GLU 612 N 0.54 0.76 -0.33 1.25 5.08 -1.07 -0.26 114.58 120.55 2qyk h GLU 612 Ca 0.26 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2qyk h GLU 612 Cb 0.20 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2qyk h GLU 612 CO -0.19 0.90 0.13 -0.44 -1.00 0.00 0.00 179.01 178.41 2qyk h ASP 613 N 0.67 0.46 -0.13 1.42 3.32 -0.65 -1.21 116.42 120.30 2qyk h ASP 613 Ca 0.10 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.92 2qyk h ASP 613 Cb 0.71 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 2qyk h ASP 613 CO 0.05 0.50 -0.07 0.78 -1.72 0.00 0.00 179.24 178.78 2qyk h ASN 614 N 0.38 0.41 -0.21 6.45 2.35 -0.80 0.14 115.58 124.31 2qyk h ASN 614 Ca 0.11 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 2qyk h ASN 614 Cb 0.19 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 2qyk h ASN 614 CO -0.01 0.53 0.10 -0.09 -1.65 0.00 0.00 177.43 176.31 2qyk h ARG 615 N 0.41 0.30 -0.89 0.81 1.12 -0.62 -1.47 114.38 114.04 2qyk h ARG 615 Ca 0.08 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.91 2qyk h ARG 615 Cb 0.39 -0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 30.25 2qyk h ARG 615 CO 0.02 0.32 0.57 -0.44 -3.11 0.00 0.00 179.97 177.34 2qyk h ASP 616 N 0.20 1.04 -0.04 -3.80 3.32 -0.49 -0.39 116.42 116.26 2qyk h ASP 616 Ca 0.07 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2qyk h ASP 616 Cb 0.13 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.41 2qyk h ASP 616 CO -0.01 0.77 0.02 -0.25 -1.72 0.00 0.00 179.24 178.06 2qyk h TRP 617 N 1.21 0.05 -0.12 4.55 7.01 -0.60 0.54 115.95 128.60 2qyk h TRP 617 Ca 0.32 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.28 2qyk h TRP 617 Cb -0.11 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 26.92 2qyk h TRP 617 CO -0.01 0.05 -0.15 1.88 -2.79 0.00 0.00 178.44 177.43 2qyk h TYR 618 N 0.03 0.19 -0.09 2.65 0.05 -0.99 0.31 116.97 119.12 2qyk h TYR 618 Ca 0.01 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 2qyk h TYR 618 Cb 0.02 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 37.70 2qyk h TYR 618 CO -0.07 0.34 -0.01 -0.92 -1.05 0.00 0.00 178.16 176.45 2qyk h TYR 619 N 0.18 0.19 0.00 4.88 3.20 -0.51 -2.78 116.97 122.12 2qyk h TYR 619 Ca 0.03 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2qyk h TYR 619 Cb 0.38 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.61 2qyk h TYR 619 CO 0.00 0.47 0.00 0.77 -1.64 0.00 0.00 178.16 177.76 2qyk h SER 620 N -0.15 0.00 -0.46 -2.11 0.02 -0.56 -2.59 113.55 107.70 2qyk h SER 620 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2qyk h SER 620 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 2qyk h SER 620 CO 0.01 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.70 2qyk n ALA 621 N -1.87 2.43 1.60 3.77 0.00 0.07 -5.08 120.51 121.42 2qyk n ALA 621 Ca 0.02 -0.81 0.13 0.00 0.00 0.00 0.00 53.44 52.77 2qyk n ALA 621 Cb 0.27 -0.96 0.76 0.00 0.00 0.00 0.00 19.45 19.51 2qyk n ALA 621 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61