#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qyk s ASN 290 N 0.00 6.69 -0.41 3.17 3.84 -1.26 -5.05 114.94 121.92 2qyk s ASN 290 Ca 0.00 0.82 -0.05 0.00 0.21 0.00 0.00 52.86 53.83 2qyk s ASN 290 Cb 0.00 -2.20 0.10 0.00 -0.55 0.00 0.00 41.25 38.59 2qyk s ASN 290 CO 0.00 0.33 0.22 -0.63 -2.79 0.00 0.00 177.10 174.23 2qyk s ILE 291 N -0.97 3.65 1.07 -5.21 -1.09 -1.26 -5.05 121.20 112.33 2qyk s ILE 291 Ca 0.21 -1.76 -0.12 0.00 -2.23 0.00 0.00 60.65 56.76 2qyk s ILE 291 Cb -0.15 -3.36 0.23 0.00 -1.58 0.00 0.00 42.46 37.60 2qyk s ILE 291 CO 0.11 -0.58 1.07 -2.84 -1.23 0.00 0.00 174.94 171.46 2qyk s PRO 292 N 1.26 -0.21 0.17 2.79 0.02 -1.26 -4.87 135.00 132.91 2qyk s PRO 292 Ca 0.05 1.08 -0.18 0.00 0.02 0.00 0.00 61.00 61.96 2qyk s PRO 292 Cb -0.23 -1.62 0.10 0.00 0.02 0.00 0.00 34.50 32.77 2qyk s PRO 292 CO -0.02 -3.31 1.64 -0.09 -0.33 0.00 0.00 177.00 174.89 2qyk h ARG 293 N -2.34 -0.09 -0.75 5.54 2.43 -1.99 -2.29 114.38 114.88 2qyk h ARG 293 Ca -0.55 0.01 -0.40 0.00 -0.81 0.00 0.00 59.98 58.23 2qyk h ARG 293 Cb 1.31 0.02 -0.24 0.00 -0.42 0.00 0.00 29.97 30.65 2qyk h ARG 293 CO 0.48 -0.06 0.37 1.19 -1.51 0.00 0.00 179.97 180.43 2qyk n PHE 294 N -5.36 2.33 0.00 2.20 3.72 -1.26 -4.93 117.46 114.16 2qyk n PHE 294 Ca 0.02 -1.81 0.00 0.00 -0.05 0.00 0.00 57.45 55.61 2qyk n PHE 294 Cb 0.27 -0.79 0.00 0.00 -0.94 0.00 0.00 39.48 38.02 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 -1.13 3.01 3.13 1.37 0.00 -0.86 -4.60 105.19 106.11 2qyk n GLY 295 Ca 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.24 0.33 0.46 1.61 -7.23 -1.26 -4.54 120.40 108.53 2qyk s VAL 296 Ca 0.00 -1.87 -0.22 0.00 -1.81 0.00 0.00 61.98 58.08 2qyk s VAL 296 Cb 0.00 -1.68 -0.08 0.00 0.56 0.00 0.00 36.38 35.18 2qyk s VAL 296 CO 0.00 -0.85 1.12 -0.75 -0.31 0.00 0.00 175.10 174.31 2qyk s LYS 297 N -3.92 3.79 -0.26 4.82 2.20 -1.26 -4.68 119.74 120.42 2qyk s LYS 297 Ca 0.12 1.63 -0.21 0.00 -0.36 0.00 0.00 55.97 57.15 2qyk s LYS 297 Cb 0.07 -2.32 0.07 0.00 -1.51 0.00 0.00 37.83 34.14 2qyk s LYS 297 CO -0.06 -0.49 0.69 -0.08 -0.36 0.00 0.00 175.35 175.04 2qyk s THR 298 N -1.67 -0.00 -2.00 3.43 -1.32 -1.26 -4.49 115.64 108.33 2qyk s THR 298 Ca 0.64 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 61.33 2qyk s THR 298 Cb -0.25 -0.97 0.58 0.00 -1.51 0.00 0.00 72.50 70.36 2qyk s THR 298 CO 0.30 0.00 1.48 0.47 -2.21 0.00 0.00 174.62 174.66 2qyk n ASP 299 N 3.26 3.52 -2.86 8.08 8.00 -1.26 -4.20 116.55 131.09 2qyk n ASP 299 Ca -0.16 -2.00 -0.12 0.00 0.71 0.00 0.00 54.79 53.21 2qyk n ASP 299 Cb 0.56 -0.44 0.01 0.00 -0.02 0.00 0.00 41.12 41.24 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 1.43 1.07 -0.04 -1.24 6.02 -1.26 -4.96 117.38 118.40 2qyk n GLN 300 Ca 0.22 -3.22 0.14 0.00 -0.01 0.00 0.00 57.00 54.12 2qyk n GLN 300 Cb 0.55 -1.37 0.56 0.00 1.02 0.00 0.00 30.24 31.00 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 2.97 0.27 -0.05 -1.09 4.81 -1.90 -1.83 114.58 117.76 2qyk h GLU 301 Ca -0.03 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.00 2qyk h GLU 301 Cb 1.10 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.43 2qyk h GLU 301 CO 0.47 0.18 -0.67 0.93 -0.73 0.00 0.00 179.01 179.20 2qyk h GLU 302 N 0.28 0.55 -0.75 1.92 4.39 -1.96 -0.43 114.58 118.58 2qyk h GLU 302 Ca 0.25 -0.52 -0.06 0.00 0.34 0.00 0.00 59.36 59.38 2qyk h GLU 302 Cb 0.63 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 2qyk h GLU 302 CO -0.06 1.14 0.25 -0.07 -1.16 0.00 0.00 179.01 179.12 2qyk h LEU 303 N 0.14 1.08 -0.28 1.33 3.38 -1.91 -0.70 115.31 118.34 2qyk h LEU 303 Ca -0.07 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 2qyk h LEU 303 Cb 1.34 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 2qyk h LEU 303 CO 0.13 0.99 0.07 0.25 0.09 0.00 0.00 178.44 179.98 2qyk h LEU 304 N 1.11 0.43 -0.85 1.67 5.85 -1.34 -1.21 115.31 120.97 2qyk h LEU 304 Ca 0.24 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.79 2qyk h LEU 304 Cb 0.29 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 2qyk h LEU 304 CO -0.01 0.54 0.53 0.00 -0.34 0.00 0.00 178.44 179.17 2qyk h ALA 305 N 0.90 1.15 0.36 1.25 0.00 -0.82 -0.41 119.26 121.70 2qyk h ALA 305 Ca 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2qyk h ALA 305 Cb 0.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2qyk h ALA 305 CO 0.00 0.31 -0.23 0.37 0.00 0.00 0.00 179.25 179.70 2qyk h GLN 306 N 0.99 -0.55 -0.81 0.00 4.15 -0.72 -2.89 115.11 115.29 2qyk h GLN 306 Ca 0.36 0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.81 2qyk h GLN 306 Cb 0.11 0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.89 2qyk h GLN 306 CO -0.15 -0.37 0.46 0.93 -1.93 0.00 0.00 178.83 177.77 2qyk h GLU 307 N -0.58 1.11 0.00 1.69 4.39 -0.84 -2.38 114.58 117.97 2qyk h GLU 307 Ca -0.04 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.55 2qyk h GLU 307 Cb 0.48 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2qyk h GLU 307 CO 0.03 0.80 0.00 1.28 -1.16 0.00 0.00 179.01 179.96 2qyk n LEU 308 N -4.36 0.00 0.13 1.33 4.77 -0.20 -1.50 117.00 117.17 2qyk n LEU 308 Ca 0.08 0.47 0.11 0.00 -0.03 0.00 0.00 56.01 56.65 2qyk n LEU 308 Cb 0.08 -0.47 0.49 0.00 -2.33 0.00 0.00 43.42 41.19 2qyk n LEU 308 CO 0.38 -0.36 0.84 -0.62 -1.33 0.00 0.00 177.39 176.31 2qyk n GLU 309 N -1.47 0.18 -0.39 3.23 1.02 -0.90 -1.36 120.64 120.95 2qyk n GLU 309 Ca 0.02 0.44 0.10 0.00 -0.02 0.00 0.00 57.16 57.70 2qyk n GLU 309 Cb 0.08 -1.86 0.30 0.00 -0.02 0.00 0.00 31.44 29.94 2qyk n GLU 309 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2qyk n ASN 310 N -2.20 3.74 -0.31 1.62 3.02 -0.56 -4.62 115.26 115.95 2qyk n ASN 310 Ca 0.02 -2.10 0.16 0.00 -0.03 0.00 0.00 54.58 52.63 2qyk n ASN 310 Cb 0.20 -0.47 0.33 0.00 -0.61 0.00 0.00 39.78 39.23 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 3.84 0.00 -2.73 3.41 5.85 -1.39 0.30 115.31 124.58 2qyk h LEU 311 Ca 0.00 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 2qyk h LEU 311 Cb 1.00 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 2qyk h LEU 311 CO 0.05 -0.21 0.01 0.59 -0.34 0.00 0.00 178.44 178.55 2qyk n ASN 312 N -5.25 4.16 -4.35 1.25 3.02 -1.26 -4.86 115.26 107.98 2qyk n ASN 312 Ca 0.24 -2.64 -0.30 0.00 -0.03 0.00 0.00 54.58 51.86 2qyk n ASN 312 Cb 0.77 -0.63 -0.14 0.00 -0.61 0.00 0.00 39.78 39.17 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 -2.18 1.70 0.48 3.52 1.02 0.10 -4.88 119.74 119.51 2qyk s LYS 313 Ca 0.37 -1.14 0.13 0.00 0.02 0.00 0.00 55.97 55.35 2qyk s LYS 313 Cb 0.28 -1.93 1.13 0.00 -0.52 0.00 0.00 37.83 36.79 2qyk s LYS 313 CO 0.11 0.49 2.11 2.35 -0.92 0.00 0.00 175.35 179.48 2qyk h TRP 314 N 4.64 0.13 0.00 3.18 2.91 -1.91 -2.18 115.95 122.72 2qyk h TRP 314 Ca -0.47 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.55 2qyk h TRP 314 Cb 1.15 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.75 2qyk h TRP 314 CO 0.50 0.11 0.00 0.41 -1.03 0.00 0.00 178.44 178.43 2qyk n GLY 315 N -1.45 -1.13 3.50 2.65 0.00 -1.26 -4.87 105.19 102.63 2qyk n GLY 315 Ca -0.01 -0.03 -0.46 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.65 0.33 -4.18 0.99 -0.00 -0.82 -4.90 117.00 106.77 2qyk n LEU 316 Ca 0.04 1.16 -0.40 0.00 -0.00 0.00 0.00 56.01 56.80 2qyk n LEU 316 Cb 0.21 -1.13 -0.07 0.00 -0.00 0.00 0.00 43.42 42.43 2qyk n LEU 316 CO 0.17 -2.16 0.12 0.21 -0.00 0.00 0.00 177.39 175.73 2qyk s ASN 317 N -0.77 5.74 0.53 1.96 3.84 -1.26 -4.93 114.94 120.06 2qyk s ASN 317 Ca 0.61 -2.59 0.20 0.00 0.21 0.00 0.00 52.86 51.29 2qyk s ASN 317 Cb -0.81 -1.98 1.38 0.00 -0.55 0.00 0.00 41.25 39.28 2qyk s ASN 317 CO 0.58 -0.50 2.12 -0.29 -2.79 0.00 0.00 177.10 176.22 2qyk h ILE 318 N 5.35 0.85 -0.45 -5.21 6.09 -1.97 -2.41 117.51 119.77 2qyk h ILE 318 Ca -0.03 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.46 2qyk h ILE 318 Cb 1.00 0.92 -0.02 0.00 0.47 0.00 0.00 36.82 39.19 2qyk h ILE 318 CO 0.75 0.00 0.26 -0.26 -3.07 0.00 0.00 178.15 175.83 2qyk h PHE 319 N 0.00 0.60 -0.52 2.19 0.04 -1.97 0.15 116.94 117.43 2qyk h PHE 319 Ca 0.07 -0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.72 2qyk h PHE 319 Cb 0.30 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 2qyk h PHE 319 CO 0.00 0.44 -0.14 0.00 -0.60 0.00 0.00 178.31 178.01 2qyk h VAL 321 N 0.88 1.09 -0.28 0.00 2.07 -1.15 -1.35 116.25 117.51 2qyk h VAL 321 Ca 0.13 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2qyk h VAL 321 Cb 0.70 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2qyk h VAL 321 CO 0.05 0.19 0.13 -1.28 0.02 0.00 0.00 177.57 176.68 2qyk h SER 322 N 1.04 0.37 -0.42 0.57 0.87 -0.62 0.17 113.55 115.52 2qyk h SER 322 Ca 0.36 -0.13 0.04 0.00 -1.23 0.00 0.00 61.79 60.82 2qyk h SER 322 Cb 0.08 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 61.91 2qyk h SER 322 CO -0.14 0.40 0.20 0.44 -0.53 0.00 0.00 176.83 177.19 2qyk h ASP 323 N 0.31 0.28 0.80 6.23 3.32 -0.65 0.79 116.42 127.49 2qyk h ASP 323 Ca 0.09 0.03 -0.14 0.00 0.02 0.00 0.00 57.03 57.03 2qyk h ASP 323 Cb 0.13 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2qyk h ASP 323 CO -0.01 0.20 -0.66 1.88 -1.72 0.00 0.00 179.24 178.93 2qyk h TYR 324 N 0.40 0.00 -0.17 4.55 0.99 -1.14 -3.04 116.97 118.56 2qyk h TYR 324 Ca 0.19 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.92 2qyk h TYR 324 Cb 0.11 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.84 2qyk h TYR 324 CO -0.11 0.66 0.00 0.00 -0.00 0.00 0.00 178.16 178.71 2qyk n ALA 325 N -2.37 2.56 -2.28 3.88 0.00 0.59 -4.42 120.51 118.46 2qyk n ALA 325 Ca -0.01 -0.35 -0.20 0.00 0.00 0.00 0.00 53.44 52.89 2qyk n ALA 325 Cb 0.68 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.12 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 0.63 -0.15 1.31 0.00 0.00 -0.97 -1.67 105.19 104.35 2qyk n GLY 326 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.95 0.94 2.60 -0.02 0.00 0.23 -4.96 105.19 103.04 2qyk n GLY 327 Ca -0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 4.15 -0.25 1.61 5.12 -0.67 -4.72 116.66 119.90 2qyk n ARG 328 Ca 0.00 -3.64 -0.08 0.00 -1.93 0.00 0.00 57.85 52.21 2qyk n ARG 328 Cb 0.00 -2.43 0.04 0.00 -1.16 0.00 0.00 32.46 28.91 2qyk n ARG 328 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2qyk h SER 329 N 3.91 1.08 -0.08 0.55 4.64 -1.85 -1.00 113.55 120.80 2qyk h SER 329 Ca 0.57 -0.25 -0.02 0.00 -0.47 0.00 0.00 61.79 61.62 2qyk h SER 329 Cb 0.34 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2qyk h SER 329 CO 1.26 1.05 -0.04 0.25 -0.87 0.00 0.00 176.83 178.48 2qyk h LEU 330 N 1.06 0.18 -0.78 5.97 5.85 -1.85 -0.47 115.31 125.29 2qyk h LEU 330 Ca 0.21 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 2qyk h LEU 330 Cb 0.41 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 2qyk h LEU 330 CO 0.01 0.57 0.42 0.74 -0.34 0.00 0.00 178.44 179.83 2qyk h THR 331 N -0.20 1.23 0.62 1.05 2.02 -1.82 -0.90 112.91 114.91 2qyk h THR 331 Ca 0.02 -0.60 -0.03 0.00 0.77 0.00 0.00 66.41 66.57 2qyk h THR 331 Cb 0.50 0.21 0.01 0.00 -1.74 0.00 0.00 68.15 67.13 2qyk h THR 331 CO 0.01 0.26 -0.30 0.00 0.37 0.00 0.00 175.52 175.87 2qyk h ILE 333 N -1.12 0.99 -0.38 0.00 6.09 -1.10 -0.24 117.51 121.75 2qyk h ILE 333 Ca -0.08 -0.34 -0.14 0.00 -1.37 0.00 0.00 64.86 62.93 2qyk h ILE 333 Cb 0.64 -0.08 -0.01 0.00 0.47 0.00 0.00 36.82 37.84 2qyk h ILE 333 CO 0.14 0.18 -0.29 -0.03 -3.07 0.00 0.00 178.15 175.07 2qyk h MET 334 N 0.98 0.87 -0.45 2.19 4.05 -1.22 -0.09 114.93 121.27 2qyk h MET 334 Ca 0.44 -0.43 0.01 0.00 -0.28 0.00 0.00 59.70 59.44 2qyk h MET 334 Cb 0.37 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.14 2qyk h MET 334 CO -0.20 1.07 0.29 -0.92 0.23 0.00 0.00 176.91 177.39 2qyk h TYR 335 N 0.68 0.54 -0.39 1.39 3.20 -0.25 -1.07 116.97 121.08 2qyk h TYR 335 Ca 0.07 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.84 2qyk h TYR 335 Cb 0.87 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 2qyk h TYR 335 CO 0.06 0.33 -0.23 0.52 -1.64 0.00 0.00 178.16 177.20 2qyk h MET 336 N 0.58 0.77 -0.43 1.82 2.86 -0.94 -1.68 114.93 117.92 2qyk h MET 336 Ca 0.17 -0.32 -0.12 0.00 -2.06 0.00 0.00 59.70 57.37 2qyk h MET 336 Cb -0.04 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 2qyk h MET 336 CO -0.05 0.93 -0.21 0.82 1.06 0.00 0.00 176.91 179.46 2qyk h ILE 337 N 0.67 1.27 -0.22 -1.22 2.04 -0.77 0.13 117.51 119.41 2qyk h ILE 337 Ca 0.09 -1.35 -0.13 0.00 1.00 0.00 0.00 64.86 64.47 2qyk h ILE 337 Cb 0.75 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 2qyk h ILE 337 CO 0.06 0.46 -0.43 -0.26 0.00 0.00 0.00 178.15 177.98 2qyk h PHE 338 N 0.76 0.63 -0.05 1.37 -1.00 -1.04 -1.39 116.94 116.21 2qyk h PHE 338 Ca 0.10 -0.19 -0.02 0.00 2.81 0.00 0.00 57.97 60.67 2qyk h PHE 338 Cb 0.75 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 40.17 2qyk h PHE 338 CO 0.04 0.87 -0.05 1.96 -1.61 0.00 0.00 178.31 179.53 2qyk h GLN 339 N 0.43 0.12 -0.82 1.51 1.08 -1.13 0.52 115.11 116.82 2qyk h GLN 339 Ca 0.03 -0.06 0.16 0.00 -1.45 0.00 0.00 58.65 57.33 2qyk h GLN 339 Cb 0.93 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 28.26 2qyk h GLN 339 CO 0.08 0.56 0.37 1.49 -0.95 0.00 0.00 178.83 180.38 2qyk h GLU 340 N -0.31 0.48 -0.22 1.46 4.57 -0.66 0.14 114.58 120.04 2qyk h GLU 340 Ca 0.01 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2qyk h GLU 340 Cb 0.54 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2qyk h GLU 340 CO 0.01 0.32 0.00 0.54 -1.18 0.00 0.00 179.01 178.70 2qyk n ARG 341 N -4.97 1.99 -2.84 1.92 1.74 -0.53 -4.94 116.66 109.04 2qyk n ARG 341 Ca 0.17 -1.49 -0.21 0.00 -0.77 0.00 0.00 57.85 55.56 2qyk n ARG 341 Cb 0.48 -1.44 0.01 0.00 -1.02 0.00 0.00 32.46 30.50 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 0.72 -5.31 0.17 0.55 2.03 0.04 -4.88 116.55 109.86 2qyk n ASP 342 Ca 0.17 -0.16 0.02 0.00 0.52 0.00 0.00 54.79 55.33 2qyk n ASP 342 Cb 0.43 -4.37 0.28 0.00 -0.72 0.00 0.00 41.12 36.74 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 -0.76 0.00 -0.34 -2.67 3.38 -1.20 -1.87 115.31 111.84 2qyk h LEU 343 Ca -0.47 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 2qyk h LEU 343 Cb 1.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 2qyk h LEU 343 CO 0.53 0.47 0.09 -0.07 0.09 0.00 0.00 178.44 179.56 2qyk h LEU 344 N 0.00 0.51 -0.18 1.67 3.38 -1.87 -1.87 115.31 116.95 2qyk h LEU 344 Ca -0.00 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.66 2qyk h LEU 344 Cb 0.88 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 2qyk h LEU 344 CO 0.06 0.60 -0.21 0.11 0.09 0.00 0.00 178.44 179.09 2qyk h LYS 345 N 0.40 0.47 -0.81 1.13 1.57 -1.85 0.23 116.57 117.71 2qyk h LYS 345 Ca 0.11 -0.26 0.10 0.00 -1.87 0.00 0.00 60.65 58.73 2qyk h LYS 345 Cb 0.28 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.55 2qyk h LYS 345 CO -0.00 0.84 0.53 0.87 -0.57 0.00 0.00 179.45 181.12 2qyk h LYS 346 N 0.13 0.71 -0.19 3.15 1.57 -1.26 -2.67 116.57 118.00 2qyk h LYS 346 Ca 0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2qyk h LYS 346 Cb 0.77 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2qyk h LYS 346 CO 0.05 0.47 0.00 1.19 -0.57 0.00 0.00 179.45 180.59 2qyk n PHE 347 N -4.51 0.37 -3.79 -1.35 3.72 -0.71 -4.99 117.46 106.20 2qyk n PHE 347 Ca 0.14 -0.64 -0.24 0.00 -0.05 0.00 0.00 57.45 56.66 2qyk n PHE 347 Cb 0.34 -0.11 0.01 0.00 -0.94 0.00 0.00 39.48 38.78 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 -0.23 -3.84 -3.18 -1.08 1.74 -0.25 -4.50 116.66 105.32 2qyk n ARG 348 Ca 0.11 0.52 -0.43 0.00 -0.77 0.00 0.00 57.85 57.28 2qyk n ARG 348 Cb 0.50 -4.82 -0.07 0.00 -1.02 0.00 0.00 32.46 27.05 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 -3.76 4.93 0.18 0.55 1.01 0.63 -4.61 121.20 120.13 2qyk s ILE 349 Ca 0.06 0.08 -0.33 0.00 0.00 0.00 0.00 60.65 60.46 2qyk s ILE 349 Cb -0.02 -4.11 -0.14 0.00 0.01 0.00 0.00 42.46 38.21 2qyk s ILE 349 CO 0.85 -0.46 1.53 -2.65 0.00 0.00 0.00 174.94 174.21 2qyk n PRO 350 N 5.99 2.12 -0.28 2.79 -0.02 -1.26 -4.78 135.00 139.56 2qyk n PRO 350 Ca -0.04 0.76 0.02 0.00 -2.02 0.00 0.00 63.50 62.22 2qyk n PRO 350 Cb 0.48 -2.50 0.22 0.00 -0.02 0.00 0.00 33.50 31.69 2qyk n PRO 350 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2qyk h VAL 351 N 3.46 1.15 -0.02 -1.45 2.07 -1.95 -0.82 116.25 118.69 2qyk h VAL 351 Ca -0.45 -0.37 -0.11 0.00 0.82 0.00 0.00 66.70 66.59 2qyk h VAL 351 Cb 1.26 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2qyk h VAL 351 CO 0.85 0.20 -0.49 -2.24 0.02 0.00 0.00 177.57 175.90 2qyk h ASP 352 N 1.07 0.04 -0.30 0.57 -0.00 -1.97 -1.62 116.42 114.22 2qyk h ASP 352 Ca 0.34 -0.02 -0.17 0.00 -0.00 0.00 0.00 57.03 57.18 2qyk h ASP 352 Cb 0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 39.33 39.33 2qyk h ASP 352 CO -0.10 0.53 -0.47 0.74 -0.00 0.00 0.00 179.24 179.94 2qyk h THR 353 N 0.03 1.28 -0.19 1.15 2.02 -1.53 -0.88 112.91 114.79 2qyk h THR 353 Ca -0.00 -1.66 -0.01 0.00 0.77 0.00 0.00 66.41 65.51 2qyk h THR 353 Cb 0.89 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 2qyk h THR 353 CO 0.07 0.54 0.07 -0.03 0.37 0.00 0.00 175.52 176.54 2qyk h MET 354 N 0.63 0.29 -0.35 6.66 1.85 -0.92 -0.89 114.93 122.21 2qyk h MET 354 Ca 0.03 -0.06 -0.11 0.00 -0.61 0.00 0.00 59.70 58.95 2qyk h MET 354 Cb 1.08 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 33.05 2qyk h MET 354 CO 0.11 0.38 -0.23 0.28 -0.40 0.00 0.00 176.91 177.05 2qyk h VAL 355 N 0.15 1.27 -0.34 -5.77 2.07 -1.31 -0.56 116.25 111.76 2qyk h VAL 355 Ca 0.06 -1.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.24 2qyk h VAL 355 Cb 0.20 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2qyk h VAL 355 CO -0.00 0.43 0.08 0.74 0.02 0.00 0.00 177.57 178.84 2qyk h THR 356 N 0.60 1.22 -0.25 2.57 2.02 -1.00 -0.09 112.91 117.97 2qyk h THR 356 Ca 0.09 -0.74 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 2qyk h THR 356 Cb 0.71 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 2qyk h THR 356 CO 0.05 0.25 0.07 0.22 0.37 0.00 0.00 175.52 176.48 2qyk h TYR 357 N 0.39 0.42 -0.64 3.16 3.20 -0.99 -1.38 116.97 121.12 2qyk h TYR 357 Ca 0.11 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.95 2qyk h TYR 357 Cb 0.29 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 2qyk h TYR 357 CO 0.01 0.48 0.40 0.52 -1.64 0.00 0.00 178.16 177.94 2qyk h MET 358 N 0.24 0.77 -0.76 1.82 2.86 -0.99 0.54 114.93 119.41 2qyk h MET 358 Ca 0.08 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 2qyk h MET 358 Cb 0.27 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 2qyk h MET 358 CO -0.00 0.51 0.31 -0.07 1.06 0.00 0.00 176.91 178.72 2qyk h LEU 359 N 0.80 1.02 -0.30 1.22 3.38 -0.90 0.36 115.31 120.88 2qyk h LEU 359 Ca 0.26 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 2qyk h LEU 359 Cb 0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2qyk h LEU 359 CO -0.10 0.90 -0.07 0.74 0.09 0.00 0.00 178.44 180.01 2qyk h THR 360 N 1.09 1.28 0.27 0.22 2.02 -0.21 0.32 112.91 117.91 2qyk h THR 360 Ca 0.25 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 2qyk h THR 360 Cb 0.19 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2qyk h THR 360 CO -0.02 0.35 -0.13 0.25 0.37 0.00 0.00 175.52 176.34 2qyk h LEU 361 N 0.35 -0.31 -1.18 2.58 5.85 0.33 -2.31 115.31 120.63 2qyk h LEU 361 Ca 0.08 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.83 2qyk h LEU 361 Cb 0.55 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 2qyk h LEU 361 CO 0.03 -0.20 0.57 -0.08 -0.34 0.00 0.00 178.44 178.42 2qyk h GLU 362 N -0.39 1.02 0.00 1.25 4.81 -0.88 0.47 114.58 120.86 2qyk h GLU 362 Ca -0.04 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2qyk h GLU 362 Cb 0.30 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 2qyk h GLU 362 CO 0.06 0.68 -0.03 -0.44 -0.73 0.00 0.00 179.01 178.55 2qyk h ASP 363 N 1.06 0.00 -0.36 1.04 3.45 -0.55 -2.12 116.42 118.94 2qyk h ASP 363 Ca 0.35 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.81 2qyk h ASP 363 Cb 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.83 2qyk h ASP 363 CO -0.11 0.03 0.00 1.41 -1.57 0.00 0.00 179.24 179.00 2qyk n HIS 364 N -3.49 0.47 -3.66 4.55 8.25 0.15 -4.79 115.22 116.70 2qyk n HIS 364 Ca -0.02 -0.24 -0.37 0.00 -0.26 0.00 0.00 57.72 56.83 2qyk n HIS 364 Cb 0.13 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 -1.53 3.67 -0.22 4.41 1.51 -0.80 -1.00 117.35 123.38 2qyk s TYR 365 Ca 0.31 0.79 -0.27 0.00 -1.01 0.00 0.00 57.07 56.89 2qyk s TYR 365 Cb 0.17 -2.13 0.00 0.00 -0.11 0.00 0.00 41.96 39.88 2qyk s TYR 365 CO 0.23 0.68 0.92 -1.01 -1.11 0.00 0.00 175.55 175.26 2qyk s HIS 366 N -1.08 3.34 0.28 2.71 3.76 -1.26 -4.77 115.29 118.27 2qyk s HIS 366 Ca 0.21 1.30 0.23 0.00 -0.15 0.00 0.00 55.06 56.65 2qyk s HIS 366 Cb -0.15 -3.14 1.04 0.00 1.11 0.00 0.00 32.58 31.44 2qyk s HIS 366 CO 0.10 -0.41 1.90 0.00 -0.85 0.00 0.00 174.74 175.48 2qyk h ALA 367 N 7.53 1.16 -0.01 -1.40 0.00 -1.93 -2.68 119.26 121.92 2qyk h ALA 367 Ca -0.22 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2qyk h ALA 367 Cb 1.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2qyk h ALA 367 CO 0.91 0.30 0.00 -0.40 0.00 0.00 0.00 179.25 180.06 2qyk n ASP 368 N -3.61 0.14 -4.63 0.00 5.75 -1.26 -4.70 116.55 108.25 2qyk n ASP 368 Ca -0.01 -1.36 -0.37 0.00 -0.01 0.00 0.00 54.79 53.05 2qyk n ASP 368 Cb 0.37 -0.01 -0.10 0.00 -1.03 0.00 0.00 41.12 40.35 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 -1.99 5.23 0.22 2.12 1.01 -1.01 -5.01 120.40 120.97 2qyk s VAL 369 Ca 0.32 0.14 -0.09 0.00 0.00 0.00 0.00 61.98 62.35 2qyk s VAL 369 Cb 0.15 -3.45 0.18 0.00 0.00 0.00 0.00 36.38 33.26 2qyk s VAL 369 CO 0.25 0.33 1.87 0.00 0.00 0.00 0.00 175.10 177.56 2qyk h ALA 370 N 7.71 1.02 0.00 5.51 0.00 -1.86 -3.37 119.26 128.27 2qyk h ALA 370 Ca -0.37 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 2qyk h ALA 370 Cb 1.17 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2qyk h ALA 370 CO 0.63 0.36 -1.34 0.98 0.00 0.00 0.00 179.25 179.87 2qyk n TYR 371 N -4.57 0.00 -1.20 0.00 9.36 -1.26 -4.76 117.16 114.73 2qyk n TYR 371 Ca 0.09 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 60.97 2qyk n TYR 371 Cb 0.06 -0.45 -0.04 0.00 -0.63 0.00 0.00 39.34 38.28 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 -3.83 2.00 -3.73 2.98 8.25 -1.26 -4.26 115.22 115.37 2qyk n HIS 372 Ca -0.21 -2.76 -0.06 0.00 -0.26 0.00 0.00 57.72 54.43 2qyk n HIS 372 Cb 0.55 -2.28 -0.00 0.00 1.12 0.00 0.00 29.99 29.37 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 3.52 1.60 0.23 0.41 0.23 -1.26 -4.43 115.26 115.56 2qyk n ASN 373 Ca 0.70 -1.40 0.07 0.00 -0.53 0.00 0.00 54.58 53.42 2qyk n ASN 373 Cb 0.30 0.01 0.59 0.00 -2.08 0.00 0.00 39.78 38.60 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 0.16 0.05 -0.93 0.53 4.64 -1.86 -2.47 113.55 113.68 2qyk h SER 374 Ca -0.07 -0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.29 2qyk h SER 374 Cb 0.26 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 62.28 2qyk h SER 374 CO 0.12 0.07 0.60 0.25 -0.87 0.00 0.00 176.83 176.99 2qyk h LEU 375 N 0.06 0.97 -0.54 5.97 5.85 -1.92 0.70 115.31 126.40 2qyk h LEU 375 Ca 0.02 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2qyk h LEU 375 Cb 0.04 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 2qyk h LEU 375 CO 0.00 0.65 0.18 -0.74 -0.34 0.00 0.00 178.44 178.18 2qyk h HIS 376 N 1.12 0.85 -0.33 1.25 2.76 -1.62 -1.11 115.15 118.07 2qyk h HIS 376 Ca 0.38 -0.08 -0.00 0.00 -2.20 0.00 0.00 60.37 58.47 2qyk h HIS 376 Cb 0.08 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.77 2qyk h HIS 376 CO -0.01 0.72 0.21 0.00 -1.30 0.00 0.00 177.93 177.54 2qyk h ALA 377 N 1.04 0.43 -0.92 5.26 0.00 -1.23 -0.61 119.26 123.22 2qyk h ALA 377 Ca 0.17 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2qyk h ALA 377 Cb 0.26 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 2qyk h ALA 377 CO -0.01 -0.08 0.56 0.00 0.00 0.00 0.00 179.25 179.72 2qyk h ALA 378 N 1.09 1.18 -0.27 0.00 0.00 -0.71 -0.41 119.26 120.14 2qyk h ALA 378 Ca 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2qyk h ALA 378 Cb -0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 2qyk h ALA 378 CO -0.02 0.63 0.04 0.22 0.00 0.00 0.00 179.25 180.12 2qyk h ASP 379 N 1.27 0.42 -0.16 0.00 3.58 -0.84 0.72 116.42 121.41 2qyk h ASP 379 Ca 0.33 -0.26 -0.08 0.00 0.42 0.00 0.00 57.03 57.44 2qyk h ASP 379 Cb -0.06 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 40.86 2qyk h ASP 379 CO -0.06 0.57 -0.16 0.58 -2.88 0.00 0.00 179.24 177.29 2qyk h VAL 380 N 0.26 1.25 0.42 2.25 2.07 -0.84 0.15 116.25 121.80 2qyk h VAL 380 Ca 0.08 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 2qyk h VAL 380 Cb 0.33 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2qyk h VAL 380 CO 0.00 0.37 -0.20 0.25 0.02 0.00 0.00 177.57 178.02 2qyk h LEU 381 N 0.51 -0.47 -0.75 2.57 6.46 -0.90 -0.79 115.31 121.94 2qyk h LEU 381 Ca 0.09 -0.09 0.05 0.00 -0.12 0.00 0.00 57.88 57.80 2qyk h LEU 381 Cb 0.57 0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.57 2qyk h LEU 381 CO 0.04 -0.16 0.45 -0.61 -0.62 0.00 0.00 178.44 177.53 2qyk h GLN 382 N -0.80 0.81 -0.76 1.25 -0.00 -0.70 0.64 115.11 115.57 2qyk h GLN 382 Ca -0.06 -0.05 -0.05 0.00 -0.00 0.00 0.00 58.65 58.50 2qyk h GLN 382 Cb 0.54 -0.18 -0.03 0.00 0.00 0.00 0.00 27.48 27.80 2qyk h GLN 382 CO 0.09 0.54 0.28 0.77 0.00 0.00 0.00 178.83 180.52 2qyk h SER 383 N 0.84 1.06 -0.38 -0.69 0.02 -0.64 -1.58 113.55 112.18 2qyk h SER 383 Ca 0.32 -0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 61.00 2qyk h SER 383 Cb 0.14 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 2qyk h SER 383 CO -0.16 0.95 -0.13 0.74 -1.14 0.00 0.00 176.83 177.09 2qyk h THR 384 N 1.11 1.26 -0.91 -2.27 2.02 -0.39 -0.88 112.91 112.85 2qyk h THR 384 Ca 0.25 -1.23 0.03 0.00 0.77 0.00 0.00 66.41 66.23 2qyk h THR 384 Cb 0.24 1.06 -0.05 0.00 -1.74 0.00 0.00 68.15 67.66 2qyk h THR 384 CO -0.02 0.42 0.60 -0.74 0.37 0.00 0.00 175.52 176.16 2qyk h HIS 385 N 0.75 1.12 -0.04 3.16 6.17 -0.19 -0.57 115.15 125.54 2qyk h HIS 385 Ca 0.12 0.03 -0.04 0.00 0.71 0.00 0.00 60.37 61.18 2qyk h HIS 385 Cb 0.64 -0.37 0.00 0.00 2.52 0.00 0.00 27.41 30.20 2qyk h HIS 385 CO 0.04 0.66 -0.14 0.28 0.71 0.00 0.00 177.93 179.48 2qyk h VAL 386 N 1.16 1.46 -0.35 5.26 2.07 -0.84 -3.24 116.25 121.77 2qyk h VAL 386 Ca 0.36 -1.55 0.03 0.00 0.82 0.00 0.00 66.70 66.36 2qyk h VAL 386 Cb -0.01 2.37 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 2qyk h VAL 386 CO -0.10 0.43 0.24 -0.07 0.02 0.00 0.00 177.57 178.08 2qyk h LEU 387 N -0.38 0.31 -1.74 2.57 3.38 -0.89 -1.13 115.31 117.43 2qyk h LEU 387 Ca -0.00 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2qyk h LEU 387 Cb 0.76 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 2qyk h LEU 387 CO 0.03 0.21 -0.14 -0.07 0.09 0.00 0.00 178.44 178.56 2qyk h LEU 388 N 0.35 0.00 -1.36 1.67 3.38 -1.13 -2.30 115.31 115.92 2qyk h LEU 388 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2qyk h LEU 388 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2qyk h LEU 388 CO -0.03 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.64 2qyk n ALA 389 N -2.49 2.57 -1.96 1.53 0.00 -0.43 -4.83 120.51 114.89 2qyk n ALA 389 Ca -0.03 -0.62 -0.42 0.00 0.00 0.00 0.00 53.44 52.38 2qyk n ALA 389 Cb 0.21 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 2qyk n ALA 389 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2qyk s THR 390 N -1.60 2.72 0.31 0.00 -1.32 -0.87 -4.89 115.64 109.99 2qyk s THR 390 Ca 0.22 0.52 0.05 0.00 -1.21 0.00 0.00 61.69 61.28 2qyk s THR 390 Cb 0.13 -3.34 0.35 0.00 -1.51 0.00 0.00 72.50 68.13 2qyk s THR 390 CO 0.13 0.04 1.61 -0.65 -2.21 0.00 0.00 174.62 173.55 2qyk h PRO 391 N 6.65 0.11 0.00 7.08 0.11 -1.91 0.11 132.00 144.14 2qyk h PRO 391 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2qyk h PRO 391 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2qyk h PRO 391 CO 0.90 0.07 0.03 0.00 -0.21 0.00 0.00 178.00 178.78 2qyk h ALA 392 N 1.89 1.03 -0.19 -0.75 0.00 -1.85 -2.02 119.26 117.36 2qyk h ALA 392 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.53 2qyk h ALA 392 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2qyk h ALA 392 CO -0.76 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 179.74 2qyk n LEU 393 N -2.94 3.16 -4.67 0.00 4.77 0.36 0.32 117.00 117.99 2qyk n LEU 393 Ca -0.03 -2.72 -0.46 0.00 -0.03 0.00 0.00 56.01 52.77 2qyk n LEU 393 Cb 0.09 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 40.74 2qyk n LEU 393 CO 0.18 0.68 1.17 -0.67 -1.33 0.00 0.00 177.39 177.42 2qyk n ASP 394 N -0.51 3.07 -0.65 -1.43 -0.08 -0.76 -1.58 116.55 114.60 2qyk n ASP 394 Ca 0.16 1.09 -0.09 0.00 -1.51 0.00 0.00 54.79 54.45 2qyk n ASP 394 Cb 0.68 -1.43 -0.04 0.00 2.34 0.00 0.00 41.12 42.67 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 3.21 -0.13 0.02 -1.67 0.00 -1.26 -4.87 120.51 115.81 2qyk n ALA 395 Ca 0.16 0.14 -0.18 0.00 0.00 0.00 0.00 53.44 53.56 2qyk n ALA 395 Cb 0.29 -1.64 -0.13 0.00 0.00 0.00 0.00 19.45 17.97 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 1.49 -2.99 0.00 2.07 -1.66 -3.46 116.25 111.70 2qyk h VAL 396 Ca -0.17 -2.29 -0.61 0.00 0.82 0.00 0.00 66.70 64.44 2qyk h VAL 396 Cb 1.08 2.93 -0.04 0.00 -1.52 0.00 0.00 31.29 33.74 2qyk h VAL 396 CO 0.26 0.65 -0.41 -0.36 0.02 0.00 0.00 177.57 177.72 2qyk s PHE 397 N -2.80 3.52 0.84 1.57 0.08 -1.26 -5.01 117.98 114.92 2qyk s PHE 397 Ca -0.14 0.43 -0.12 0.00 0.12 0.00 0.00 56.93 57.21 2qyk s PHE 397 Cb 0.02 -1.89 0.10 0.00 -0.57 0.00 0.00 43.02 40.68 2qyk s PHE 397 CO 0.81 0.55 1.19 0.95 -0.10 0.00 0.00 175.22 178.62 2qyk s THR 398 N -1.50 2.00 0.34 0.64 -4.23 -1.26 -4.87 115.64 106.76 2qyk s THR 398 Ca 0.35 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.91 2qyk s THR 398 Cb -0.13 -2.96 0.16 0.00 1.34 0.00 0.00 72.50 70.91 2qyk s THR 398 CO 0.24 0.00 1.88 0.44 -0.54 0.00 0.00 174.62 176.64 2qyk h ASP 399 N -1.19 0.44 -0.40 3.99 3.32 -1.99 -1.58 116.42 119.02 2qyk h ASP 399 Ca -0.47 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.42 2qyk h ASP 399 Cb 1.32 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 2qyk h ASP 399 CO 0.63 0.53 -0.07 0.25 -1.72 0.00 0.00 179.24 178.86 2qyk h LEU 400 N 0.45 0.75 -1.07 1.55 5.85 -1.99 0.14 115.31 121.00 2qyk h LEU 400 Ca 0.10 -0.35 -0.07 0.00 0.84 0.00 0.00 57.88 58.39 2qyk h LEU 400 Cb 0.34 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 2qyk h LEU 400 CO 0.01 0.93 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.61 2qyk h GLU 401 N 0.57 0.53 -0.37 1.25 5.08 -1.86 -0.51 114.58 119.27 2qyk h GLU 401 Ca 0.10 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 2qyk h GLU 401 Cb 0.59 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2qyk h GLU 401 CO 0.03 0.64 -0.25 0.82 -1.00 0.00 0.00 179.01 179.26 2qyk h ILE 402 N 0.50 1.28 -0.32 3.13 2.04 -1.00 -1.95 117.51 121.20 2qyk h ILE 402 Ca 0.09 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.56 2qyk h ILE 402 Cb 0.48 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 2qyk h ILE 402 CO 0.03 0.46 0.20 0.25 0.00 0.00 0.00 178.15 179.09 2qyk h LEU 403 N 0.61 0.37 -0.34 1.44 5.85 -0.30 -2.27 115.31 120.68 2qyk h LEU 403 Ca 0.07 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.78 2qyk h LEU 403 Cb 0.81 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 2qyk h LEU 403 CO 0.07 0.30 0.17 0.00 -0.34 0.00 0.00 178.44 178.63 2qyk h ALA 404 N 1.09 0.42 -0.70 1.25 0.00 -0.99 -1.29 119.26 119.04 2qyk h ALA 404 Ca 0.11 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2qyk h ALA 404 Cb -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2qyk h ALA 404 CO -0.02 -0.20 0.42 0.00 0.00 0.00 0.00 179.25 179.44 2qyk h ALA 405 N 1.18 0.89 -0.35 0.00 0.00 -1.18 0.39 119.26 120.18 2qyk h ALA 405 Ca 0.14 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 2qyk h ALA 405 Cb 0.06 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 2qyk h ALA 405 CO -0.10 0.36 -0.41 -0.07 0.00 0.00 0.00 179.25 179.03 2qyk h LEU 406 N 0.95 0.97 -0.41 0.00 3.38 -1.23 -1.88 115.31 117.10 2qyk h LEU 406 Ca 0.25 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2qyk h LEU 406 Cb -0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 2qyk h LEU 406 CO -0.05 1.26 0.17 0.15 0.09 0.00 0.00 178.44 180.07 2qyk h PHE 407 N 0.71 0.61 0.05 1.13 3.57 -1.03 -1.31 116.94 120.67 2qyk h PHE 407 Ca 0.05 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.53 2qyk h PHE 407 Cb 1.01 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 2qyk h PHE 407 CO 0.07 0.53 -0.20 0.00 -2.23 0.00 0.00 178.31 176.47 2qyk h ALA 408 N 1.02 -0.29 -0.65 2.41 0.00 -0.85 -1.90 119.26 119.00 2qyk h ALA 408 Ca 0.14 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.12 2qyk h ALA 408 Cb 0.17 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 2qyk h ALA 408 CO -0.01 -0.71 0.31 0.00 0.00 0.00 0.00 179.25 178.84 2qyk h ALA 409 N 0.51 0.87 -0.60 0.00 0.00 -1.15 0.13 119.26 119.02 2qyk h ALA 409 Ca 0.04 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2qyk h ALA 409 Cb 0.40 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2qyk h ALA 409 CO -0.16 -0.07 0.16 0.00 0.00 0.00 0.00 179.25 179.19 2qyk h ALA 410 N 1.39 1.16 -0.01 0.00 0.00 -0.85 -3.18 119.26 117.78 2qyk h ALA 410 Ca 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2qyk h ALA 410 Cb 0.30 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2qyk h ALA 410 CO -0.25 0.58 -0.65 0.44 0.00 0.00 0.00 179.25 179.37 2qyk n ILE 411 N -4.27 0.00 0.22 0.00 -5.35 -0.75 -4.68 119.36 104.53 2qyk n ILE 411 Ca 0.05 -0.14 0.14 0.00 -0.27 0.00 0.00 62.75 62.53 2qyk n ILE 411 Cb 0.22 1.02 0.56 0.00 -1.74 0.00 0.00 39.64 39.71 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 1.28 0.00 0.00 4.28 2.07 -0.73 -1.92 115.15 120.13 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 0.62 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.60 2qyk h HIS 412 CO 0.00 0.00 -0.29 -0.25 -3.07 0.00 0.00 177.93 174.32 2qyk n ASP 413 N -3.00 1.02 -4.77 3.10 8.00 -1.26 -4.87 116.55 114.78 2qyk n ASP 413 Ca 0.03 -2.48 -0.41 0.00 0.71 0.00 0.00 54.79 52.65 2qyk n ASP 413 Cb 0.71 -0.30 -0.01 0.00 -0.02 0.00 0.00 41.12 41.50 2qyk n ASP 413 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2qyk s VAL 414 N -1.25 2.22 -1.48 2.53 0.11 -0.72 -2.29 120.40 119.52 2qyk s VAL 414 Ca 0.14 0.22 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 2qyk s VAL 414 Cb 0.12 -3.14 0.00 0.00 -1.53 0.00 0.00 36.38 31.84 2qyk s VAL 414 CO 0.01 0.05 0.00 -0.67 -3.33 0.00 0.00 175.10 171.16 2qyk n ASP 415 N 0.90 -4.87 -4.71 3.54 2.03 -0.17 -4.42 116.55 108.83 2qyk n ASP 415 Ca 0.02 0.09 -0.42 0.00 0.52 0.00 0.00 54.79 55.00 2qyk n ASP 415 Cb 0.39 -3.94 -0.03 0.00 -0.72 0.00 0.00 41.12 36.83 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 -2.76 3.11 -1.57 -0.67 5.65 -0.97 -4.91 115.29 113.18 2qyk s HIS 416 Ca 0.00 0.81 0.30 0.00 0.25 0.00 0.00 55.06 56.43 2qyk s HIS 416 Cb 0.00 -3.76 1.58 0.00 -1.18 0.00 0.00 32.58 29.21 2qyk s HIS 416 CO 0.00 -2.76 2.08 -0.35 -0.65 0.00 0.00 174.74 173.05 2qyk n PRO 417 N 4.17 0.57 -0.68 2.88 -0.04 -1.26 -4.51 135.00 136.14 2qyk n PRO 417 Ca 0.12 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2qyk n PRO 417 Cb 0.41 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 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 1.23 0.65 3.12 0.55 0.00 -1.26 -4.99 105.19 104.50 2qyk n GLY 418 Ca 0.16 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 45.95 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 0.82 1.01 1.61 -7.23 -1.26 -4.72 120.40 108.63 2qyk s VAL 419 Ca 0.00 -1.28 -0.12 0.00 -1.81 0.00 0.00 61.98 58.76 2qyk s VAL 419 Cb 0.00 -0.93 0.20 0.00 0.56 0.00 0.00 36.38 36.20 2qyk s VAL 419 CO 0.00 -0.37 1.09 -0.94 -0.31 0.00 0.00 175.10 174.57 2qyk s SER 420 N -1.83 2.50 0.21 4.85 1.04 -1.26 -4.89 113.70 114.32 2qyk s SER 420 Ca -0.04 1.18 -0.09 0.00 0.48 0.00 0.00 55.95 57.48 2qyk s SER 420 Cb -0.08 -1.84 0.16 0.00 0.10 0.00 0.00 66.02 64.35 2qyk s SER 420 CO 0.01 -3.21 1.83 0.78 0.98 0.00 0.00 173.24 173.63 2qyk h ASN 421 N -1.94 0.98 -0.71 7.02 2.35 -2.01 -2.64 115.58 118.63 2qyk h ASN 421 Ca -0.55 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.10 2qyk h ASN 421 Cb 1.33 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 39.42 2qyk h ASN 421 CO 0.58 0.79 0.43 -0.61 -1.65 0.00 0.00 177.43 176.97 2qyk h GLN 422 N 1.09 0.97 -0.37 0.81 5.75 -1.97 0.54 115.11 121.93 2qyk h GLN 422 Ca 0.28 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.69 2qyk h GLN 422 Cb 0.03 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.36 2qyk h GLN 422 CO -0.04 0.68 0.21 0.35 -2.65 0.00 0.00 178.83 177.37 2qyk h PHE 423 N 0.99 0.50 -0.57 3.99 3.04 -1.84 0.41 116.94 123.46 2qyk h PHE 423 Ca 0.26 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.15 2qyk h PHE 423 Cb -0.04 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.28 2qyk h PHE 423 CO 0.00 0.38 0.16 -0.07 -2.02 0.00 0.00 178.31 176.76 2qyk h LEU 424 N 0.47 0.80 -0.07 0.59 3.38 -1.09 -1.65 115.31 117.75 2qyk h LEU 424 Ca 0.13 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2qyk h LEU 424 Cb 0.04 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 2qyk h LEU 424 CO -0.02 0.77 -0.05 0.40 0.09 0.00 0.00 178.44 179.63 2qyk h ILE 425 N 0.84 1.35 0.00 1.22 2.04 -0.44 -2.32 117.51 120.20 2qyk h ILE 425 Ca 0.19 -1.13 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 2qyk h ILE 425 Cb 0.27 1.96 -0.00 0.00 -0.74 0.00 0.00 36.82 38.30 2qyk h ILE 425 CO -0.01 0.31 -0.11 0.78 0.00 0.00 0.00 178.15 179.13 2qyk h ASN 426 N -0.26 0.00 -0.04 1.72 2.35 0.02 -2.04 115.58 117.33 2qyk h ASN 426 Ca 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2qyk h ASN 426 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2qyk h ASN 426 CO 0.01 0.11 0.00 0.35 -1.65 0.00 0.00 177.43 176.25 2qyk n THR 427 N -3.78 0.03 -2.98 2.81 -2.24 -0.64 -4.93 114.28 102.55 2qyk n THR 427 Ca -0.02 -0.32 -0.22 0.00 -2.27 0.00 0.00 64.05 61.22 2qyk n THR 427 Cb 0.21 0.67 0.03 0.00 -2.10 0.00 0.00 70.33 69.14 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 0.42 -6.11 -4.72 3.42 4.05 -0.77 -4.95 115.26 106.61 2qyk n ASN 428 Ca 0.18 -0.27 -0.32 0.00 0.45 0.00 0.00 54.58 54.63 2qyk n ASN 428 Cb 0.40 -4.95 0.13 0.00 1.23 0.00 0.00 39.78 36.59 2qyk n ASN 428 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 2qyk s SER 429 N -2.65 3.72 0.25 1.20 1.04 -0.89 -4.84 113.70 111.54 2qyk s SER 429 Ca 0.28 2.08 -0.03 0.00 0.48 0.00 0.00 55.95 58.76 2qyk s SER 429 Cb -0.12 -2.55 0.42 0.00 0.10 0.00 0.00 66.02 63.86 2qyk s SER 429 CO 0.35 -2.57 1.82 -0.08 0.98 0.00 0.00 173.24 173.74 2qyk h GLU 430 N -1.32 0.81 -0.44 4.02 4.81 -1.92 -2.38 114.58 118.16 2qyk h GLU 430 Ca -0.44 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 2qyk h GLU 430 Cb 1.26 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.44 2qyk h GLU 430 CO 0.46 0.53 0.18 -0.07 -0.73 0.00 0.00 179.01 179.39 2qyk h LEU 431 N 0.83 0.60 -0.76 1.64 3.38 -1.93 0.10 115.31 119.18 2qyk h LEU 431 Ca 0.41 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 2qyk h LEU 431 Cb 0.38 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2qyk h LEU 431 CO -0.25 0.59 0.36 0.00 0.09 0.00 0.00 178.44 179.23 2qyk h ALA 432 N 1.03 0.98 -0.51 1.53 0.00 -1.74 -1.61 119.26 118.94 2qyk h ALA 432 Ca 0.15 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2qyk h ALA 432 Cb 0.18 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2qyk h ALA 432 CO -0.01 0.55 -0.04 -0.07 0.00 0.00 0.00 179.25 179.67 2qyk h LEU 433 N 1.07 0.92 -1.25 0.00 3.38 -1.20 0.41 115.31 118.64 2qyk h LEU 433 Ca 0.26 -0.33 0.06 0.00 0.09 0.00 0.00 57.88 57.96 2qyk h LEU 433 Cb 0.12 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 2qyk h LEU 433 CO -0.03 1.02 0.54 -0.03 0.09 0.00 0.00 178.44 180.03 2qyk h MET 434 N 0.79 0.90 -0.28 1.13 4.05 -0.36 -3.00 114.93 118.16 2qyk h MET 434 Ca 0.14 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.42 2qyk h MET 434 Cb 0.58 -0.20 -0.05 0.00 -0.80 0.00 0.00 31.60 31.13 2qyk h MET 434 CO 0.03 0.60 -0.03 0.66 0.23 0.00 0.00 176.91 178.40 2qyk n TYR 435 N -4.47 0.94 -4.03 1.39 4.01 -0.65 -4.98 117.16 109.37 2qyk n TYR 435 Ca 0.12 -1.20 -0.33 0.00 -0.16 0.00 0.00 57.90 56.33 2qyk n TYR 435 Cb 0.18 -0.38 0.01 0.00 -0.31 0.00 0.00 39.34 38.84 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 -0.86 -4.30 -0.31 7.72 3.02 -0.39 -1.32 115.26 118.82 2qyk n ASN 436 Ca 0.26 -0.86 -0.04 0.00 -0.03 0.00 0.00 54.58 53.91 2qyk n ASN 436 Cb 0.94 -3.45 -0.02 0.00 -0.61 0.00 0.00 39.78 36.64 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 -2.76 -5.43 -4.42 6.41 8.00 -0.00 -4.95 116.55 113.41 2qyk n ASP 437 Ca 0.06 0.09 -0.36 0.00 0.71 0.00 0.00 54.79 55.29 2qyk n ASP 437 Cb 0.51 -3.51 -0.13 0.00 -0.02 0.00 0.00 41.12 37.97 2qyk n ASP 437 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2qyk s GLU 438 N -2.20 3.60 -1.48 -1.24 0.41 -0.44 -4.58 118.70 112.78 2qyk s GLU 438 Ca 0.00 -0.51 -0.06 0.00 -0.41 0.00 0.00 54.97 53.99 2qyk s GLU 438 Cb 0.00 -3.26 0.01 0.00 -1.78 0.00 0.00 34.13 29.10 2qyk s GLU 438 CO 0.00 -0.19 0.15 0.43 -0.49 0.00 0.00 175.26 175.17 2qyk n SER 439 N 4.89 -0.05 0.13 -0.19 7.64 -1.26 -4.81 113.62 119.97 2qyk n SER 439 Ca -0.17 -1.26 -0.12 0.00 1.01 0.00 0.00 58.87 58.33 2qyk n SER 439 Cb 0.51 -1.72 -0.07 0.00 -1.01 0.00 0.00 64.21 61.92 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 -1.95 0.00 -0.54 0.44 2.07 -1.86 -0.40 116.25 114.02 2qyk h VAL 440 Ca -0.67 0.00 0.01 0.00 0.82 0.00 0.00 66.70 66.86 2qyk h VAL 440 Cb 1.40 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 2qyk h VAL 440 CO 0.67 0.00 0.35 -0.07 0.02 0.00 0.00 177.57 178.54 2qyk h LEU 441 N -0.62 0.61 -0.69 2.57 3.38 -1.93 -1.95 115.31 116.67 2qyk h LEU 441 Ca -0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2qyk h LEU 441 Cb 0.59 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2qyk h LEU 441 CO -0.15 0.44 0.43 -0.33 0.09 0.00 0.00 178.44 178.92 2qyk h GLU 442 N 0.72 0.93 -0.71 1.13 3.07 -1.88 0.19 114.58 118.04 2qyk h GLU 442 Ca 0.20 -0.08 -0.03 0.00 -0.50 0.00 0.00 59.36 58.95 2qyk h GLU 442 Cb -0.07 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 27.60 2qyk h GLU 442 CO -0.05 0.66 0.31 -0.91 -1.40 0.00 0.00 179.01 177.62 2qyk h ASN 443 N 0.94 0.96 -0.73 1.42 2.35 -0.91 -2.44 115.58 117.17 2qyk h ASN 443 Ca 0.25 -0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 2qyk h ASN 443 Cb -0.05 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.05 2qyk h ASN 443 CO -0.05 0.84 0.21 -0.74 -1.65 0.00 0.00 177.43 176.05 2qyk h HIS 444 N 1.00 1.19 -0.65 1.19 2.76 -0.51 -1.43 115.15 118.70 2qyk h HIS 444 Ca 0.24 -0.13 0.02 0.00 -2.20 0.00 0.00 60.37 58.30 2qyk h HIS 444 Cb 0.16 -0.34 -0.04 0.00 1.55 0.00 0.00 27.41 28.75 2qyk h HIS 444 CO 0.01 0.95 0.42 0.45 -1.30 0.00 0.00 177.93 178.45 2qyk h HIS 445 N 1.09 0.79 -0.11 5.26 3.86 -0.37 -0.82 115.15 124.84 2qyk h HIS 445 Ca 0.23 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.46 2qyk h HIS 445 Cb 0.33 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 2qyk h HIS 445 CO 0.03 0.47 0.05 -0.07 0.86 0.00 0.00 177.93 179.26 2qyk h LEU 446 N 0.83 0.15 -0.62 2.43 3.38 -1.12 0.14 115.31 120.51 2qyk h LEU 446 Ca 0.25 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.12 2qyk h LEU 446 Cb -0.04 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 2qyk h LEU 446 CO -0.08 0.26 0.34 0.00 0.09 0.00 0.00 178.44 179.05 2qyk h ALA 447 N 0.89 0.82 0.20 1.53 0.00 -0.95 -1.69 119.26 120.07 2qyk h ALA 447 Ca 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2qyk h ALA 447 Cb 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2qyk h ALA 447 CO -0.00 0.01 -0.10 0.28 0.00 0.00 0.00 179.25 179.44 2qyk h VAL 448 N 0.64 0.89 -0.80 0.00 2.07 -1.05 -0.47 116.25 117.54 2qyk h VAL 448 Ca 0.28 -0.75 0.19 0.00 0.82 0.00 0.00 66.70 67.23 2qyk h VAL 448 Cb 0.17 1.32 -0.12 0.00 -1.52 0.00 0.00 31.29 31.14 2qyk h VAL 448 CO -0.17 0.16 0.23 1.23 0.02 0.00 0.00 177.57 179.03 2qyk h GLY 449 N -0.66 1.18 1.33 2.17 0.00 -0.77 -0.42 103.07 105.91 2qyk h GLY 449 Ca -0.03 -0.06 -0.26 0.00 0.00 0.00 0.00 47.33 46.98 2qyk h GLY 449 CO 0.04 -0.24 -1.06 0.74 0.00 0.00 0.00 176.54 176.03 2qyk h PHE 450 N 0.28 0.89 -0.86 5.60 0.04 -1.33 -3.31 116.94 118.26 2qyk h PHE 450 Ca 0.47 -0.50 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 2qyk h PHE 450 Cb 0.85 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.86 2qyk h PHE 450 CO -0.24 1.34 0.48 -0.22 -0.60 0.00 0.00 178.31 179.06 2qyk h LYS 451 N 0.31 1.20 0.00 1.51 1.63 -0.03 -1.93 116.57 119.26 2qyk h LYS 451 Ca -0.12 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 2qyk h LYS 451 Cb 1.71 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 33.10 2qyk h LYS 451 CO 0.20 0.87 0.00 1.28 -3.45 0.00 0.00 179.45 178.35 2qyk n LEU 452 N -4.38 0.47 0.19 5.20 4.77 -0.27 -0.99 117.00 121.99 2qyk n LEU 452 Ca 0.09 0.70 0.14 0.00 -0.03 0.00 0.00 56.01 56.90 2qyk n LEU 452 Cb 0.09 -0.73 0.61 0.00 -2.33 0.00 0.00 43.42 41.06 2qyk n LEU 452 CO 0.38 -0.79 0.91 -0.07 -1.33 0.00 0.00 177.39 176.50 2qyk h LEU 453 N 0.00 0.00 -0.54 2.23 3.38 -1.48 -2.72 115.31 116.18 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 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2qyk h LEU 453 CO 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 178.44 178.20 2qyk n GLN 454 N -2.52 0.82 -1.32 1.13 6.02 -0.16 -2.29 117.38 119.06 2qyk n GLN 454 Ca 0.01 -0.54 -0.30 0.00 -0.01 0.00 0.00 57.00 56.16 2qyk n GLN 454 Cb 0.21 -1.49 0.12 0.00 1.02 0.00 0.00 30.24 30.10 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 -2.55 1.64 -0.10 -1.09 2.02 -1.03 -4.86 118.70 112.74 2qyk s GLU 455 Ca 0.22 0.80 -0.37 0.00 0.02 0.00 0.00 54.97 55.64 2qyk s GLU 455 Cb 0.19 -1.85 -0.14 0.00 0.10 0.00 0.00 34.13 32.42 2qyk s GLU 455 CO 0.55 -1.97 1.69 -3.47 0.02 0.00 0.00 175.26 172.08 2qyk n ASP 456 N -3.70 2.65 -3.75 -0.19 4.64 -1.26 -2.04 116.55 112.91 2qyk n ASP 456 Ca 0.07 1.05 -0.23 0.00 -1.38 0.00 0.00 54.79 54.31 2qyk n ASP 456 Cb 0.55 -1.25 0.03 0.00 -1.04 0.00 0.00 41.12 39.40 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 4.97 -1.41 0.00 1.67 4.05 -1.26 -4.91 115.26 118.37 2qyk n ASN 457 Ca 0.23 -0.83 0.00 0.00 0.45 0.00 0.00 54.58 54.42 2qyk n ASN 457 Cb 0.21 -3.94 0.00 0.00 1.23 0.00 0.00 39.78 37.28 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 -0.03 6.76 0.26 0.00 -1.08 -0.97 -4.56 116.67 117.05 2qyk s ASP 459 Ca 0.00 -2.21 0.21 0.00 -0.52 0.00 0.00 52.55 50.04 2qyk s ASP 459 Cb 0.00 -2.53 0.99 0.00 -1.46 0.00 0.00 42.92 39.91 2qyk s ASP 459 CO 0.00 -1.20 1.65 2.30 0.52 0.00 0.00 175.17 178.44 2qyk n ILE 460 N 6.20 0.96 -0.13 4.11 -5.35 -1.26 -1.87 119.36 122.01 2qyk n ILE 460 Ca 0.40 0.42 0.12 0.00 -0.27 0.00 0.00 62.75 63.42 2qyk n ILE 460 Cb 0.47 -1.37 0.28 0.00 -1.74 0.00 0.00 39.64 37.29 2qyk n ILE 460 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2qyk n PHE 461 N -2.18 0.80 -0.34 4.28 3.72 -1.26 -4.60 117.46 117.89 2qyk n PHE 461 Ca 0.01 -0.41 0.21 0.00 -0.05 0.00 0.00 57.45 57.21 2qyk n PHE 461 Cb 0.15 -0.00 0.46 0.00 -0.94 0.00 0.00 39.48 39.15 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 4.32 0.44 -0.28 -1.08 3.07 -1.75 -1.17 115.11 118.66 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 0.99 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 28.45 2qyk h GLN 462 CO 0.00 0.29 0.00 0.09 0.09 0.00 0.00 178.83 179.30 2qyk n ASN 463 N -4.77 2.30 -4.85 0.06 3.02 -1.26 -4.89 115.26 104.86 2qyk n ASN 463 Ca 0.27 -1.85 -0.32 0.00 -0.03 0.00 0.00 54.58 52.66 2qyk n ASN 463 Cb 0.86 -0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 39.81 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 -1.43 3.63 0.86 3.41 1.02 -0.44 -4.93 118.68 120.80 2qyk s LEU 464 Ca 0.33 1.51 -0.12 0.00 0.02 0.00 0.00 54.13 55.88 2qyk s LEU 464 Cb 0.18 -4.45 0.11 0.00 0.02 0.00 0.00 46.19 42.05 2qyk s LEU 464 CO 0.27 -0.58 1.11 -0.94 0.02 0.00 0.00 176.35 176.23 2qyk s SER 465 N -3.12 3.95 0.16 2.29 1.04 -1.26 -4.80 113.70 111.95 2qyk s SER 465 Ca 0.58 1.15 -0.15 0.00 0.48 0.00 0.00 55.95 58.01 2qyk s SER 465 Cb -0.10 -1.81 0.03 0.00 0.10 0.00 0.00 66.02 64.25 2qyk s SER 465 CO 0.32 -2.29 1.78 0.50 0.98 0.00 0.00 173.24 174.53 2qyk h LYS 466 N -1.32 0.64 -0.61 4.02 1.63 -1.98 -0.38 116.57 118.58 2qyk h LYS 466 Ca -0.49 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.22 2qyk h LYS 466 Cb 1.30 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 32.77 2qyk h LYS 466 CO 0.60 0.49 0.27 0.00 -3.45 0.00 0.00 179.45 177.36 2qyk h ARG 467 N 0.62 0.88 -0.33 1.90 3.08 -1.99 -0.90 114.38 117.65 2qyk h ARG 467 Ca 0.17 -0.13 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 2qyk h ARG 467 Cb 0.02 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 2qyk h ARG 467 CO -0.03 0.70 -0.19 1.96 -1.07 0.00 0.00 179.97 181.35 2qyk h GLN 468 N 0.87 0.70 -0.50 0.04 4.20 -1.83 -1.12 115.11 117.48 2qyk h GLN 468 Ca 0.21 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 2qyk h GLN 468 Cb 0.13 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2qyk h GLN 468 CO -0.02 0.92 0.29 0.00 -0.67 0.00 0.00 178.83 179.35 2qyk h ARG 469 N 0.47 0.69 -0.40 1.46 3.08 -0.74 -0.86 114.38 118.08 2qyk h ARG 469 Ca 0.07 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 2qyk h ARG 469 Cb 0.73 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 2qyk h ARG 469 CO 0.05 0.52 -0.21 1.96 -1.07 0.00 0.00 179.97 181.22 2qyk h GLN 470 N 0.67 0.79 -0.38 0.04 4.20 -1.11 -0.97 115.11 118.36 2qyk h GLN 470 Ca 0.18 -0.32 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 2qyk h GLN 470 Cb 0.02 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2qyk h GLN 470 CO -0.03 0.93 -0.02 1.03 -0.67 0.00 0.00 178.83 180.08 2qyk h SER 471 N 0.69 0.67 -0.25 1.46 0.87 -1.00 -1.64 113.55 114.35 2qyk h SER 471 Ca 0.10 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 2qyk h SER 471 Cb 0.72 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2qyk h SER 471 CO 0.06 0.82 0.16 0.25 -0.53 0.00 0.00 176.83 177.59 2qyk h LEU 472 N 0.49 0.29 -0.57 2.23 7.12 -1.04 -1.77 115.31 122.06 2qyk h LEU 472 Ca 0.10 -0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.08 2qyk h LEU 472 Cb 0.49 -0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 40.52 2qyk h LEU 472 CO 0.02 0.23 0.30 -0.09 -0.13 0.00 0.00 178.44 178.77 2qyk h ARG 473 N 0.33 0.80 -0.40 1.25 2.43 -1.08 0.12 114.38 117.83 2qyk h ARG 473 Ca 0.09 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2qyk h ARG 473 Cb -0.02 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 2qyk h ARG 473 CO -0.02 0.63 0.24 -0.22 -1.51 0.00 0.00 179.97 179.09 2qyk h LYS 474 N 0.77 0.48 -0.44 0.20 3.64 -1.10 -0.85 116.57 119.26 2qyk h LYS 474 Ca 0.20 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 2qyk h LYS 474 Cb 0.07 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 2qyk h LYS 474 CO -0.03 0.32 -0.02 0.52 -2.27 0.00 0.00 179.45 177.97 2qyk h MET 475 N 0.50 0.80 -0.49 1.90 2.86 -1.03 -2.41 114.93 117.07 2qyk h MET 475 Ca 0.16 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 2qyk h MET 475 Cb -0.01 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 2qyk h MET 475 CO -0.06 0.87 0.20 0.28 1.06 0.00 0.00 176.91 179.26 2qyk h VAL 476 N 0.64 1.21 -0.69 -2.22 2.07 -0.76 -0.47 116.25 116.03 2qyk h VAL 476 Ca 0.12 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 67.03 2qyk h VAL 476 Cb 0.53 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 2qyk h VAL 476 CO 0.03 0.24 0.45 0.40 0.02 0.00 0.00 177.57 178.70 2qyk h ILE 477 N 0.64 1.14 -0.31 4.57 2.04 -1.14 -0.94 117.51 123.51 2qyk h ILE 477 Ca 0.16 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 2qyk h ILE 477 Cb 0.18 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 2qyk h ILE 477 CO -0.01 0.16 0.16 -0.78 0.00 0.00 0.00 178.15 177.67 2qyk h ASP 478 N 0.90 0.40 -0.27 1.72 1.82 -1.05 -1.99 116.42 117.95 2qyk h ASP 478 Ca 0.26 -0.11 -0.08 0.00 -0.39 0.00 0.00 57.03 56.71 2qyk h ASP 478 Cb -0.06 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 39.85 2qyk h ASP 478 CO -0.08 0.40 -0.15 0.24 -1.61 0.00 0.00 179.24 178.05 2qyk h MET 479 N 0.37 0.57 -0.47 0.28 2.86 -0.75 -2.76 114.93 115.02 2qyk h MET 479 Ca 0.11 -0.26 -0.13 0.00 -2.06 0.00 0.00 59.70 57.36 2qyk h MET 479 Cb 0.10 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 2qyk h MET 479 CO -0.01 0.82 -0.22 0.28 1.06 0.00 0.00 176.91 178.84 2qyk h VAL 480 N 0.30 1.27 -0.05 -2.22 2.07 -1.20 -2.58 116.25 113.83 2qyk h VAL 480 Ca 0.06 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.17 2qyk h VAL 480 Cb 0.66 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2qyk h VAL 480 CO 0.04 0.48 -0.07 -0.07 0.02 0.00 0.00 177.57 177.97 2qyk h LEU 481 N 0.84 0.07 0.00 2.57 3.38 -1.40 -0.34 115.31 120.43 2qyk h LEU 481 Ca 0.11 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2qyk h LEU 481 Cb 0.79 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2qyk h LEU 481 CO 0.07 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.75 2qyk n ALA 482 N -2.51 2.15 1.09 1.53 0.00 -0.98 -2.49 120.51 119.29 2qyk n ALA 482 Ca -0.02 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.44 2qyk n ALA 482 Cb 0.17 -1.33 0.38 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.15 0.00 -1.82 0.00 -2.24 -0.14 -4.80 114.28 104.14 2qyk n THR 483 Ca 0.12 -0.03 -0.43 0.00 -2.27 0.00 0.00 64.05 61.45 2qyk n THR 483 Cb 0.12 0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 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 -2.86 5.81 0.62 3.42 -1.08 -1.04 -4.85 116.67 116.69 2qyk s ASP 484 Ca 0.16 1.71 0.29 0.00 -0.52 0.00 0.00 52.55 54.19 2qyk s ASP 484 Cb 0.18 -2.52 1.51 0.00 -1.46 0.00 0.00 42.92 40.63 2qyk s ASP 484 CO 0.62 -1.71 1.89 0.24 0.52 0.00 0.00 175.17 176.73 2qyk h MET 485 N 13.37 0.00 0.00 4.34 2.86 -1.91 0.14 114.93 133.73 2qyk h MET 485 Ca -0.38 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 2qyk h MET 485 Cb 1.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.86 2qyk h MET 485 CO 0.99 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 177.83 2qyk n SER 486 N -3.37 0.07 -0.65 1.22 3.41 -1.26 -1.72 113.62 111.31 2qyk n SER 486 Ca 0.04 0.51 0.11 0.00 -0.26 0.00 0.00 58.87 59.28 2qyk n SER 486 Cb 0.55 -0.53 0.03 0.00 -0.26 0.00 0.00 64.21 64.00 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 -1.57 1.58 -0.06 4.33 4.76 0.04 -4.61 118.16 122.62 2qyk n LYS 487 Ca 0.04 -1.31 -0.07 0.00 -2.87 0.00 0.00 58.31 54.09 2qyk n LYS 487 Cb 0.20 -1.47 -0.01 0.00 -1.84 0.00 0.00 35.03 31.91 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 3.20 -0.52 -0.80 2.13 -0.00 -1.42 -1.01 115.15 116.73 2qyk h HIS 488 Ca 0.00 0.04 0.02 0.00 -0.00 0.00 0.00 60.37 60.42 2qyk h HIS 488 Cb 0.84 0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 28.48 2qyk h HIS 488 CO 0.00 -0.28 0.52 0.52 -0.00 0.00 0.00 177.93 178.69 2qyk h MET 489 N -0.19 1.01 -0.33 5.26 2.86 -1.81 -0.32 114.93 121.41 2qyk h MET 489 Ca 0.15 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.65 2qyk h MET 489 Cb 0.41 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2qyk h MET 489 CO -0.38 0.67 -0.07 1.15 1.06 0.00 0.00 176.91 179.33 2qyk h THR 490 N 1.04 1.28 -0.10 2.22 2.02 -1.82 -1.49 112.91 116.05 2qyk h THR 490 Ca 0.30 -1.12 0.03 0.00 0.77 0.00 0.00 66.41 66.39 2qyk h THR 490 Cb -0.07 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 2qyk h THR 490 CO -0.08 0.36 -0.08 0.25 0.37 0.00 0.00 175.52 176.34 2qyk h LEU 491 N 0.40 -0.25 -0.84 2.58 5.85 -0.81 0.01 115.31 122.25 2qyk h LEU 491 Ca 0.08 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 2qyk h LEU 491 Cb 0.57 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 2qyk h LEU 491 CO 0.03 -0.11 0.37 0.25 -0.34 0.00 0.00 178.44 178.64 2qyk h LEU 492 N -0.09 1.11 -0.38 2.25 5.85 -1.02 0.02 115.31 123.05 2qyk h LEU 492 Ca 0.07 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2qyk h LEU 492 Cb 0.19 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 2qyk h LEU 492 CO -0.16 0.95 0.20 0.00 -0.34 0.00 0.00 178.44 179.09 2qyk h ALA 493 N 1.21 0.49 -0.24 1.25 0.00 -0.73 -0.98 119.26 120.26 2qyk h ALA 493 Ca 0.28 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2qyk h ALA 493 Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2qyk h ALA 493 CO -0.03 0.03 -0.22 -0.44 0.00 0.00 0.00 179.25 178.59 2qyk h ASP 494 N 0.48 0.43 -0.44 0.00 3.32 -0.66 -2.31 116.42 117.23 2qyk h ASP 494 Ca 0.13 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 2qyk h ASP 494 Cb 0.09 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2qyk h ASP 494 CO -0.02 0.65 0.04 0.25 -1.72 0.00 0.00 179.24 178.44 2qyk h LEU 495 N 0.39 0.73 -0.71 1.55 5.85 -0.57 -1.15 115.31 121.41 2qyk h LEU 495 Ca 0.06 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 2qyk h LEU 495 Cb 0.60 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 2qyk h LEU 495 CO 0.04 0.83 0.36 0.11 -0.34 0.00 0.00 178.44 179.44 2qyk h LYS 496 N 0.61 1.02 -0.64 1.25 1.57 -1.00 -0.26 116.57 119.11 2qyk h LYS 496 Ca 0.13 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2qyk h LYS 496 Cb 0.43 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 2qyk h LYS 496 CO 0.02 0.79 0.42 1.15 -0.57 0.00 0.00 179.45 181.25 2qyk h THR 497 N 0.99 1.16 -0.58 -0.16 2.02 -1.17 -1.26 112.91 113.91 2qyk h THR 497 Ca 0.25 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 2qyk h THR 497 Cb 0.09 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.70 2qyk h THR 497 CO -0.03 0.16 0.28 -0.03 0.37 0.00 0.00 175.52 176.26 2qyk h MET 498 N 0.86 0.83 0.00 6.66 1.85 -0.64 -2.04 114.93 122.45 2qyk h MET 498 Ca 0.24 -0.12 -0.01 0.00 -0.61 0.00 0.00 59.70 59.20 2qyk h MET 498 Cb -0.09 -0.15 -0.00 0.00 0.43 0.00 0.00 31.60 31.79 2qyk h MET 498 CO -0.05 0.67 -0.05 0.28 -0.40 0.00 0.00 176.91 177.35 2qyk h VAL 499 N 0.78 0.99 -0.34 -5.77 2.07 -0.50 -2.59 116.25 110.90 2qyk h VAL 499 Ca 0.20 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.58 2qyk h VAL 499 Cb 0.11 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 2qyk h VAL 499 CO -0.03 0.05 0.11 -0.33 0.02 0.00 0.00 177.57 177.39 2qyk h GLU 500 N 0.00 0.24 -0.87 1.57 5.08 -0.48 -2.59 114.58 117.53 2qyk h GLU 500 Ca -0.00 -0.01 -0.49 0.00 -1.00 0.00 0.00 59.36 57.85 2qyk h GLU 500 Cb 0.09 -0.05 -0.27 0.00 0.50 0.00 0.00 28.75 29.02 2qyk h GLU 500 CO 0.01 0.16 0.50 0.25 -1.00 0.00 0.00 179.01 178.93 2qyk n THR 501 N -5.04 3.15 -1.68 1.13 -2.24 -1.00 -5.01 114.28 103.59 2qyk n THR 501 Ca 0.01 -2.40 -0.45 0.00 -2.27 0.00 0.00 64.05 58.94 2qyk n THR 501 Cb 0.13 -0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 67.70 2qyk n THR 501 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2qyk n LYS 502 N -1.08 2.29 -4.36 -0.78 4.81 -0.98 -5.00 118.16 113.06 2qyk n LYS 502 Ca 0.55 0.83 -0.34 0.00 -0.87 0.00 0.00 58.31 58.47 2qyk n LYS 502 Cb 1.31 -2.63 -0.10 0.00 0.02 0.00 0.00 35.03 33.63 2qyk n LYS 502 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2qyk s LYS 503 N 1.49 3.29 0.05 1.64 1.02 -1.26 -5.06 119.74 120.91 2qyk s LYS 503 Ca 0.80 -0.44 0.02 0.00 0.02 0.00 0.00 55.97 56.37 2qyk s LYS 503 Cb -0.64 -2.86 -0.03 0.00 -0.52 0.00 0.00 37.83 33.78 2qyk s LYS 503 CO 0.39 0.52 -0.07 0.08 -0.92 0.00 0.00 175.35 175.35 2qyk s VAL 504 N -0.37 0.51 0.00 3.17 1.01 -1.26 -0.31 120.40 123.16 2qyk s VAL 504 Ca 0.07 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 60.73 2qyk s VAL 504 Cb -0.12 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.36 2qyk s VAL 504 CO 0.02 -0.56 0.00 0.35 0.00 0.00 0.00 175.10 174.91 2qyk n THR 505 N 1.01 0.00 -0.09 3.92 -2.24 -0.49 -4.91 114.28 111.48 2qyk n THR 505 Ca -0.20 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.47 2qyk n THR 505 Cb 0.57 -1.54 -0.04 0.00 -2.10 0.00 0.00 70.33 67.22 2qyk n THR 505 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2qyk h SER 506 N 0.00 0.47 0.42 3.42 0.87 -2.02 -2.75 113.55 113.96 2qyk h SER 506 Ca 0.00 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2qyk h SER 506 Cb 0.00 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 2qyk h SER 506 CO 0.00 0.65 0.00 0.28 -0.53 0.00 0.00 176.83 177.23 2qyk h SER 507 N 0.27 0.00 0.00 6.23 0.02 -2.04 -3.45 113.55 114.58 2qyk h SER 507 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2qyk h SER 507 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2qyk h SER 507 CO 0.01 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 2qyk n GLY 508 N -0.57 0.93 3.74 -3.77 0.00 -1.04 -5.06 105.19 99.41 2qyk n GLY 508 Ca 0.00 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 4.62 0.52 1.61 1.01 -1.26 -4.75 120.40 120.14 2qyk s VAL 509 Ca 0.00 1.85 -0.22 0.00 0.00 0.00 0.00 61.98 63.61 2qyk s VAL 509 Cb 0.00 -4.22 -0.07 0.00 0.00 0.00 0.00 36.38 32.09 2qyk s VAL 509 CO 0.00 0.34 1.16 0.18 0.00 0.00 0.00 175.10 176.78 2qyk n LEU 510 N 2.80 4.19 -4.17 3.92 4.77 0.15 -1.40 117.00 127.26 2qyk n LEU 510 Ca -0.00 0.96 -0.36 0.00 -0.03 0.00 0.00 56.01 56.58 2qyk n LEU 510 Cb 0.50 -1.47 -0.12 0.00 -2.33 0.00 0.00 43.42 40.00 2qyk n LEU 510 CO 0.49 -1.13 -0.23 -0.22 -1.33 0.00 0.00 177.39 174.97 2qyk s LEU 511 N -2.17 4.68 -0.59 2.23 2.96 0.58 -4.81 118.68 121.56 2qyk s LEU 511 Ca 0.69 -1.62 0.02 0.00 -0.22 0.00 0.00 54.13 53.01 2qyk s LEU 511 Cb -0.46 -1.81 0.15 0.00 0.50 0.00 0.00 46.19 44.57 2qyk s LEU 511 CO 0.52 -0.42 0.36 -0.76 -1.32 0.00 0.00 176.35 174.72 2qyk s LEU 512 N 1.24 4.64 0.32 -0.68 1.43 -1.26 -4.58 118.68 119.79 2qyk s LEU 512 Ca 0.02 -3.16 0.15 0.00 -1.03 0.00 0.00 54.13 50.11 2qyk s LEU 512 Cb -0.21 -1.70 0.51 0.00 0.03 0.00 0.00 46.19 44.82 2qyk s LEU 512 CO -0.02 -0.23 1.67 0.44 0.23 0.00 0.00 176.35 178.44 2qyk h ASP 513 N 6.40 0.00 -2.52 2.29 3.45 -1.98 -3.45 116.42 120.60 2qyk h ASP 513 Ca -0.02 0.00 -0.62 0.00 0.43 0.00 0.00 57.03 56.82 2qyk h ASP 513 Cb 0.88 0.00 -0.15 0.00 -0.56 0.00 0.00 39.33 39.50 2qyk h ASP 513 CO 0.71 0.50 -0.76 0.54 -1.57 0.00 0.00 179.24 178.66 2qyk s ASN 514 N -6.65 3.73 0.18 6.45 2.20 -1.26 -5.03 114.94 114.56 2qyk s ASN 514 Ca -0.01 -0.90 -0.15 0.00 -0.94 0.00 0.00 52.86 50.87 2qyk s ASN 514 Cb 0.12 -0.40 0.15 0.00 -2.00 0.00 0.00 41.25 39.12 2qyk s ASN 514 CO 0.73 0.06 1.69 0.22 -2.94 0.00 0.00 177.10 176.86 2qyk h TYR 515 N 2.51 -0.02 -0.73 1.54 3.20 -2.00 -2.39 116.97 119.08 2qyk h TYR 515 Ca -0.43 0.03 0.14 0.00 3.14 0.00 0.00 58.73 61.61 2qyk h TYR 515 Cb 1.24 0.08 -0.14 0.00 1.54 0.00 0.00 36.73 39.45 2qyk h TYR 515 CO 0.75 -0.09 -0.26 1.03 -1.64 0.00 0.00 178.16 177.95 2qyk h SER 516 N 0.12 -0.94 -0.31 -2.11 0.87 -1.99 0.01 113.55 109.20 2qyk h SER 516 Ca 0.22 0.24 -0.13 0.00 -1.23 0.00 0.00 61.79 60.89 2qyk h SER 516 Cb 0.33 0.54 -0.01 0.00 -0.44 0.00 0.00 62.40 62.81 2qyk h SER 516 CO -0.37 -0.28 -0.27 0.44 -0.53 0.00 0.00 176.83 175.82 2qyk h ASP 517 N -0.06 0.84 -0.23 6.23 3.32 -1.85 -1.92 116.42 122.75 2qyk h ASP 517 Ca 0.32 -0.33 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2qyk h ASP 517 Cb 0.56 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2qyk h ASP 517 CO -0.77 1.06 0.06 0.03 -1.72 0.00 0.00 179.24 177.90 2qyk h ARG 518 N 0.70 0.37 -0.02 3.56 3.08 -0.70 -1.59 114.38 119.79 2qyk h ARG 518 Ca 0.08 -0.09 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 2qyk h ARG 518 Cb 0.81 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 2qyk h ARG 518 CO 0.07 0.48 -0.52 0.97 -1.07 0.00 0.00 179.97 179.90 2qyk h ILE 519 N 0.20 1.37 -0.55 2.04 6.09 -1.09 -1.07 117.51 124.50 2qyk h ILE 519 Ca 0.07 -1.77 -0.06 0.00 -1.37 0.00 0.00 64.86 61.73 2qyk h ILE 519 Cb 0.27 1.94 -0.02 0.00 0.47 0.00 0.00 36.82 39.48 2qyk h ILE 519 CO 0.00 0.51 0.10 -0.61 -3.07 0.00 0.00 178.15 175.08 2qyk h GLN 520 N 0.03 0.91 -0.61 2.19 4.15 -1.14 0.15 115.11 120.79 2qyk h GLN 520 Ca -0.00 -0.23 -0.08 0.00 0.77 0.00 0.00 58.65 59.10 2qyk h GLN 520 Cb 0.92 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.48 2qyk h GLN 520 CO 0.07 0.87 0.07 0.28 -1.93 0.00 0.00 178.83 178.19 2qyk h VAL 521 N 0.80 1.26 -0.41 2.39 2.07 -1.02 -2.41 116.25 118.94 2qyk h VAL 521 Ca 0.17 -1.04 -0.12 0.00 0.82 0.00 0.00 66.70 66.53 2qyk h VAL 521 Cb 0.39 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2qyk h VAL 521 CO 0.01 0.38 -0.24 -0.07 0.02 0.00 0.00 177.57 177.68 2qyk h LEU 522 N 0.93 0.85 -0.01 2.57 3.38 -0.89 0.15 115.31 122.29 2qyk h LEU 522 Ca 0.18 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.85 2qyk h LEU 522 Cb 0.46 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2qyk h LEU 522 CO 0.02 1.05 -0.05 0.03 0.09 0.00 0.00 178.44 179.57 2qyk h ARG 523 N 0.72 -0.09 -0.09 1.13 3.08 -0.55 -1.97 114.38 116.61 2qyk h ARG 523 Ca 0.09 0.01 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 2qyk h ARG 523 Cb 0.77 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 2qyk h ARG 523 CO 0.06 -0.06 -0.35 -0.91 -1.07 0.00 0.00 179.97 177.64 2qyk h ASN 524 N -0.09 0.18 -0.16 7.04 2.35 -1.37 -2.10 115.58 121.44 2qyk h ASN 524 Ca 0.03 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 2qyk h ASN 524 Cb 0.12 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 2qyk h ASN 524 CO -0.06 0.53 0.06 -0.03 -1.65 0.00 0.00 177.43 176.28 2qyk h MET 525 N 0.16 0.24 -0.60 0.81 4.05 -0.55 0.35 114.93 119.38 2qyk h MET 525 Ca 0.02 -0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.32 2qyk h MET 525 Cb 0.70 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.44 2qyk h MET 525 CO 0.05 0.32 0.09 0.28 0.23 0.00 0.00 176.91 177.89 2qyk h VAL 526 N 0.10 1.26 -0.55 -5.77 2.07 -1.29 -1.29 116.25 110.77 2qyk h VAL 526 Ca 0.05 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.59 2qyk h VAL 526 Cb 0.17 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 2qyk h VAL 526 CO -0.00 0.37 0.34 -0.74 0.02 0.00 0.00 177.57 177.56 2qyk h HIS 527 N 0.91 0.65 -0.58 1.57 6.17 -1.16 0.98 115.15 123.69 2qyk h HIS 527 Ca 0.18 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.25 2qyk h HIS 527 Cb 0.43 -0.21 -0.03 0.00 2.52 0.00 0.00 27.41 30.12 2qyk h HIS 527 CO 0.03 0.38 0.23 0.00 0.71 0.00 0.00 177.93 179.28 2qyk h ALA 529 N 1.08 1.15 -0.53 0.00 0.00 -0.71 -0.77 119.26 119.48 2qyk h ALA 529 Ca 0.19 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2qyk h ALA 529 Cb 0.21 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2qyk h ALA 529 CO -0.01 0.65 0.18 0.22 0.00 0.00 0.00 179.25 180.28 2qyk h ASP 530 N 1.19 0.73 -1.36 0.00 3.58 -0.40 -2.69 116.42 117.46 2qyk h ASP 530 Ca 0.29 -0.11 -0.67 0.00 0.42 0.00 0.00 57.03 56.97 2qyk h ASP 530 Cb 0.10 -0.19 -0.33 0.00 1.72 0.00 0.00 39.33 40.63 2qyk h ASP 530 CO -0.04 0.68 0.33 0.18 -2.88 0.00 0.00 179.24 177.51 2qyk n LEU 531 N -4.31 6.60 -0.45 2.28 4.77 -0.50 -4.60 117.00 120.78 2qyk n LEU 531 Ca 0.04 -4.72 0.09 0.00 -0.03 0.00 0.00 56.01 51.40 2qyk n LEU 531 Cb 0.19 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 2qyk n LEU 531 CO 0.39 1.82 0.30 -1.54 -1.33 0.00 0.00 177.39 177.03 2qyk n SER 532 N -0.68 1.86 -0.21 -1.43 3.41 -0.39 -4.57 113.62 111.61 2qyk n SER 532 Ca 0.52 -1.43 0.01 0.00 -0.26 0.00 0.00 58.87 57.72 2qyk n SER 532 Cb 0.58 0.45 0.12 0.00 -0.26 0.00 0.00 64.21 65.10 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 2.19 -0.10 0.52 4.04 -0.26 -1.82 -0.37 115.58 119.79 2qyk h ASN 533 Ca 0.00 0.13 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 2qyk h ASN 533 Cb 0.65 0.20 0.00 0.00 -1.06 0.00 0.00 38.32 38.12 2qyk h ASN 533 CO 0.00 -0.04 0.00 -0.65 -1.06 0.00 0.00 177.43 175.68 2qyk h PRO 534 N 0.21 0.00 -0.01 0.81 0.11 -1.93 -2.66 132.00 128.52 2qyk h PRO 534 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 2qyk h PRO 534 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 2qyk h PRO 534 CO -0.46 0.00 -0.34 0.25 -0.21 0.00 0.00 178.00 177.24 2qyk n THR 535 N -2.39 0.00 -2.39 -1.15 -2.24 -0.16 -4.26 114.28 101.70 2qyk n THR 535 Ca 0.01 -0.16 -0.26 0.00 -2.27 0.00 0.00 64.05 61.37 2qyk n THR 535 Cb 0.17 0.64 0.04 0.00 -2.10 0.00 0.00 70.33 69.09 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 -2.51 2.72 0.27 -0.78 -0.14 -1.00 -4.56 119.74 113.73 2qyk s LYS 536 Ca 0.22 -0.14 -0.29 0.00 -1.36 0.00 0.00 55.97 54.40 2qyk s LYS 536 Cb 0.19 -2.27 -0.14 0.00 -1.68 0.00 0.00 37.83 33.93 2qyk s LYS 536 CO 0.54 -0.82 1.08 -2.30 -0.76 0.00 0.00 175.35 173.09 2qyk n PRO 537 N -2.63 1.41 -0.32 -1.68 -0.02 -1.26 -4.53 135.00 125.98 2qyk n PRO 537 Ca 0.05 0.50 0.18 0.00 -2.02 0.00 0.00 63.50 62.21 2qyk n PRO 537 Cb 0.58 -1.92 0.36 0.00 -0.02 0.00 0.00 33.50 32.51 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 2.38 0.03 -1.01 2.45 5.85 -1.94 0.87 115.31 123.94 2qyk h LEU 538 Ca -0.41 0.22 0.09 0.00 0.84 0.00 0.00 57.88 58.62 2qyk h LEU 538 Cb 1.33 0.29 -0.07 0.00 0.37 0.00 0.00 40.66 42.58 2qyk h LEU 538 CO 0.63 -0.23 0.64 -0.08 -0.34 0.00 0.00 178.44 179.06 2qyk h GLU 539 N 0.16 1.08 0.06 1.25 4.81 -2.01 -0.60 114.58 119.34 2qyk h GLU 539 Ca 0.63 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.67 2qyk h GLU 539 Cb 1.38 -0.24 0.01 0.00 0.63 0.00 0.00 28.75 30.53 2qyk h GLU 539 CO -0.72 0.72 -0.54 -0.07 -0.73 0.00 0.00 179.01 177.67 2qyk h LEU 540 N 1.12 0.37 -0.57 1.64 3.38 -1.21 -3.26 115.31 116.78 2qyk h LEU 540 Ca 0.46 -0.88 0.11 0.00 0.09 0.00 0.00 57.88 57.66 2qyk h LEU 540 Cb 0.28 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.82 2qyk h LEU 540 CO -0.21 1.22 0.05 0.22 0.09 0.00 0.00 178.44 179.81 2qyk h TYR 541 N -0.42 0.05 -0.78 1.13 3.20 -0.93 -0.69 116.97 118.53 2qyk h TYR 541 Ca -0.09 0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.86 2qyk h TYR 541 Cb 1.35 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.64 2qyk h TYR 541 CO 0.19 -0.10 0.52 0.00 -1.64 0.00 0.00 178.16 177.13 2qyk h ARG 542 N 0.17 0.92 -0.42 1.82 3.08 -1.22 0.40 114.38 119.13 2qyk h ARG 542 Ca 0.29 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 60.19 2qyk h ARG 542 Cb 0.45 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2qyk h ARG 542 CO -0.44 0.61 -0.12 1.96 -1.07 0.00 0.00 179.97 180.91 2qyk h GLN 543 N 0.95 0.83 -0.84 0.04 4.20 -1.21 -1.90 115.11 117.18 2qyk h GLN 543 Ca 0.31 -0.32 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 2qyk h GLN 543 Cb 0.06 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 2qyk h GLN 543 CO -0.09 0.95 0.44 -1.49 -0.67 0.00 0.00 178.83 177.96 2qyk h TRP 544 N 0.65 1.18 -0.48 2.96 -0.00 -0.43 -2.37 115.95 117.46 2qyk h TRP 544 Ca 0.11 -0.04 -0.03 0.00 -0.00 0.00 0.00 58.89 58.92 2qyk h TRP 544 Cb 0.65 -0.37 -0.02 0.00 -0.00 0.00 0.00 29.16 29.42 2qyk h TRP 544 CO 0.05 0.84 0.18 1.15 -0.00 0.00 0.00 178.44 180.66 2qyk h THR 545 N 1.18 1.21 -0.40 1.49 2.02 -0.75 -1.67 112.91 116.00 2qyk h THR 545 Ca 0.29 -0.68 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 2qyk h THR 545 Cb 0.07 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 2qyk h THR 545 CO -0.04 0.25 0.10 0.44 0.37 0.00 0.00 175.52 176.64 2qyk h ASP 546 N 0.64 0.54 -0.16 4.18 3.32 -1.10 -1.81 116.42 122.03 2qyk h ASP 546 Ca 0.16 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 2qyk h ASP 546 Cb 0.22 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 2qyk h ASP 546 CO -0.01 0.54 -0.08 0.03 -1.72 0.00 0.00 179.24 178.00 2qyk h ARG 547 N 0.58 0.33 -0.49 3.56 3.08 -1.05 -2.00 114.38 118.39 2qyk h ARG 547 Ca 0.14 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 2qyk h ARG 547 Cb 0.22 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2qyk h ARG 547 CO -0.00 0.66 0.20 0.97 -1.07 0.00 0.00 179.97 180.72 2qyk h ILE 548 N -0.00 1.21 -0.72 2.04 6.09 -1.13 -1.65 117.51 123.35 2qyk h ILE 548 Ca 0.03 -0.64 -0.03 0.00 -1.37 0.00 0.00 64.86 62.85 2qyk h ILE 548 Cb 0.56 0.71 -0.03 0.00 0.47 0.00 0.00 36.82 38.53 2qyk h ILE 548 CO 0.02 0.24 0.33 0.24 -3.07 0.00 0.00 178.15 175.92 2qyk h MET 549 N 0.65 1.04 -0.53 2.19 2.86 -1.36 0.15 114.93 119.94 2qyk h MET 549 Ca 0.16 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 2qyk h MET 549 Cb 0.19 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2qyk h MET 549 CO -0.01 0.81 0.08 0.00 1.06 0.00 0.00 176.91 178.85 2qyk h ALA 550 N 1.33 1.15 -0.15 6.32 0.00 -1.01 0.34 119.26 127.24 2qyk h ALA 550 Ca 0.25 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2qyk h ALA 550 Cb 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2qyk h ALA 550 CO -0.03 0.56 -0.28 1.49 0.00 0.00 0.00 179.25 181.00 2qyk h GLU 551 N 0.79 0.46 -0.03 0.00 4.81 -0.59 -2.13 114.58 117.89 2qyk h GLU 551 Ca 0.17 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2qyk h GLU 551 Cb 0.36 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.77 2qyk h GLU 551 CO 0.01 0.89 0.00 0.74 -0.73 0.00 0.00 179.01 179.92 2qyk h PHE 552 N 0.08 0.01 -0.82 0.92 0.04 -0.42 -1.96 116.94 114.79 2qyk h PHE 552 Ca 0.01 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.82 2qyk h PHE 552 Cb 0.86 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.96 2qyk h PHE 552 CO 0.10 0.00 0.54 0.74 -0.60 0.00 0.00 178.31 179.09 2qyk h PHE 553 N 0.02 0.96 -0.22 -0.55 0.04 -0.34 -0.19 116.94 116.65 2qyk h PHE 553 Ca 0.01 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.68 2qyk h PHE 553 Cb 0.01 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.83 2qyk h PHE 553 CO -0.09 0.54 -0.39 0.37 -0.60 0.00 0.00 178.31 178.15 2qyk h GLN 554 N 0.98 0.50 -0.69 1.51 4.15 -1.11 -0.36 115.11 120.09 2qyk h GLN 554 Ca 0.33 -0.24 -0.07 0.00 0.77 0.00 0.00 58.65 59.44 2qyk h GLN 554 Cb 0.09 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 2qyk h GLN 554 CO -0.10 0.81 0.16 0.37 -1.93 0.00 0.00 178.83 178.14 2qyk h GLN 555 N 0.42 1.11 -0.32 1.69 4.15 -0.49 -1.96 115.11 119.71 2qyk h GLN 555 Ca 0.04 -0.27 -0.00 0.00 0.77 0.00 0.00 58.65 59.19 2qyk h GLN 555 Cb 0.86 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.39 2qyk h GLN 555 CO 0.07 0.98 0.18 0.78 -1.93 0.00 0.00 178.83 178.92 2qyk h GLY 556 N 1.04 0.47 1.28 2.39 0.00 -0.65 0.40 103.07 108.00 2qyk h GLY 556 Ca 0.22 -0.20 0.02 0.00 0.00 0.00 0.00 47.33 47.36 2qyk h GLY 556 CO 0.00 0.20 0.46 -0.55 0.00 0.00 0.00 176.54 176.65 2qyk h ASP 557 N 0.40 0.77 -0.25 0.19 3.32 -0.87 0.16 116.42 120.13 2qyk h ASP 557 Ca 0.11 -0.02 -0.20 0.00 0.02 0.00 0.00 57.03 56.95 2qyk h ASP 557 Cb 0.03 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2qyk h ASP 557 CO -0.02 0.54 -0.61 0.03 -1.72 0.00 0.00 179.24 177.46 2qyk h ARG 558 N 0.90 0.86 -0.67 3.56 3.08 -0.91 -0.81 114.38 120.39 2qyk h ARG 558 Ca 0.26 -0.59 -0.02 0.00 0.07 0.00 0.00 59.98 59.70 2qyk h ARG 558 Cb -0.05 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2qyk h ARG 558 CO -0.06 1.22 0.34 0.93 -1.07 0.00 0.00 179.97 181.32 2qyk h GLU 559 N 0.64 0.96 -0.39 0.04 5.08 -0.32 -1.43 114.58 119.16 2qyk h GLU 559 Ca -0.00 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 2qyk h GLU 559 Cb 1.23 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 2qyk h GLU 559 CO 0.13 0.75 0.22 -0.09 -1.00 0.00 0.00 179.01 179.03 2qyk h ARG 560 N 0.93 0.54 -0.86 2.33 2.43 -0.86 0.26 114.38 119.15 2qyk h ARG 560 Ca 0.23 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.41 2qyk h ARG 560 Cb 0.10 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.47 2qyk h ARG 560 CO -0.03 0.43 0.53 0.93 -1.51 0.00 0.00 179.97 180.32 2qyk h GLU 561 N 0.51 0.92 -0.23 0.20 5.08 -0.67 -2.12 114.58 118.27 2qyk h GLU 561 Ca 0.14 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2qyk h GLU 561 Cb 0.04 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.08 2qyk h GLU 561 CO -0.02 0.61 0.00 0.54 -1.00 0.00 0.00 179.01 179.14 2qyk n ARG 562 N -4.64 1.70 -3.09 2.33 1.74 -0.58 -4.92 116.66 109.21 2qyk n ARG 562 Ca 0.13 -1.08 -0.13 0.00 -0.77 0.00 0.00 57.85 56.00 2qyk n ARG 562 Cb 0.20 -1.33 0.05 0.00 -1.02 0.00 0.00 32.46 30.36 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 1.06 0.04 3.69 -0.13 0.00 -0.79 -5.03 105.19 104.03 2qyk n GLY 563 Ca 0.14 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.57 2.49 0.26 1.61 -1.94 0.84 -5.03 119.30 111.97 2qyk s MET 564 Ca 0.27 -1.20 -0.30 0.00 -1.71 0.00 0.00 55.69 52.76 2qyk s MET 564 Cb -0.12 -2.34 -0.10 0.00 2.01 0.00 0.00 34.83 34.28 2qyk s MET 564 CO 0.43 0.41 1.43 -2.00 -0.01 0.00 0.00 175.02 175.28 2qyk s GLU 565 N -3.40 4.27 -0.07 2.03 2.56 -1.26 -4.32 118.70 118.51 2qyk s GLU 565 Ca 0.30 2.30 -0.30 0.00 0.00 0.00 0.00 54.97 57.28 2qyk s GLU 565 Cb -0.08 -3.10 -0.02 0.00 2.00 0.00 0.00 34.13 32.93 2qyk s GLU 565 CO 0.21 -0.40 1.02 0.42 -0.56 0.00 0.00 175.26 175.95 2qyk s ILE 566 N -0.19 4.75 0.81 -3.70 1.01 -1.26 -4.91 121.20 117.71 2qyk s ILE 566 Ca 0.58 2.00 -0.12 0.00 0.00 0.00 0.00 60.65 63.11 2qyk s ILE 566 Cb -0.42 -4.29 0.08 0.00 0.01 0.00 0.00 42.46 37.85 2qyk s ILE 566 CO 0.45 0.04 1.15 -0.44 0.00 0.00 0.00 174.94 176.14 2qyk s SER 567 N 1.10 3.81 0.02 3.58 0.01 -1.26 -4.90 113.70 116.07 2qyk s SER 567 Ca 0.50 2.14 -0.36 0.00 1.31 0.00 0.00 55.95 59.54 2qyk s SER 567 Cb -0.20 -2.56 -0.15 0.00 0.21 0.00 0.00 66.02 63.32 2qyk s SER 567 CO 0.21 -2.51 1.55 -2.65 0.41 0.00 0.00 173.24 170.26 2qyk n PRO 568 N -3.50 1.58 -1.05 12.44 -0.02 -1.26 -1.46 135.00 141.72 2qyk n PRO 568 Ca 0.12 0.57 -0.02 0.00 -2.02 0.00 0.00 63.50 62.15 2qyk n PRO 568 Cb 0.52 -2.29 -0.01 0.00 -0.02 0.00 0.00 33.50 31.70 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 3.86 -1.28 0.00 -0.52 2.81 -1.26 -4.85 117.12 115.87 2qyk n MET 569 Ca 0.20 0.41 0.12 0.00 -1.81 0.00 0.00 57.70 56.62 2qyk n MET 569 Cb 0.22 -4.42 0.14 0.00 -0.71 0.00 0.00 33.22 28.45 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 -2.49 6.30 0.57 0.00 -1.08 -1.26 -3.76 116.67 114.94 2qyk s ASP 571 Ca 0.21 -0.53 0.34 0.00 -0.52 0.00 0.00 52.55 52.05 2qyk s ASP 571 Cb 0.19 -2.34 1.64 0.00 -1.46 0.00 0.00 42.92 40.94 2qyk s ASP 571 CO 0.55 -0.94 2.10 0.07 0.52 0.00 0.00 175.17 177.47 2qyk h LYS 572 N 9.03 0.00 0.00 4.34 2.10 -1.87 0.19 116.57 130.36 2qyk h LYS 572 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 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 0.97 0.04 0.00 0.72 -2.00 0.00 0.00 179.45 179.19 2qyk n HIS 573 N -3.24 0.27 0.00 0.07 8.25 -1.26 -4.31 115.22 115.01 2qyk n HIS 573 Ca -0.01 0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2qyk n HIS 573 Cb 0.24 -0.64 0.00 0.00 1.12 0.00 0.00 29.99 30.71 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 -1.73 0.00 -2.32 1.59 -2.24 -0.98 -5.10 114.28 103.50 2qyk n THR 574 Ca 0.06 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.46 2qyk n THR 574 Cb 0.33 -0.06 -0.02 0.00 -2.10 0.00 0.00 70.33 68.48 2qyk n THR 574 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qyk s ALA 575 N -0.81 3.06 -0.12 6.98 0.00 0.62 -5.04 121.76 126.46 2qyk s ALA 575 Ca 0.00 0.91 0.03 0.00 0.00 0.00 0.00 51.96 52.90 2qyk s ALA 575 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2qyk s ALA 575 CO 0.00 -0.53 -0.22 0.45 0.00 0.00 0.00 175.76 175.46 2qyk s SER 576 N -1.31 3.19 0.09 0.00 0.15 -1.26 -4.86 113.70 109.70 2qyk s SER 576 Ca 0.60 -0.56 -0.29 0.00 0.70 0.00 0.00 55.95 56.40 2qyk s SER 576 Cb -0.28 -1.44 -0.14 0.00 -1.71 0.00 0.00 66.02 62.45 2qyk s SER 576 CO 0.35 0.13 1.64 0.58 1.20 0.00 0.00 173.24 177.14 2qyk h VAL 577 N 5.73 0.42 -0.20 4.45 2.07 -1.98 -0.57 116.25 126.17 2qyk h VAL 577 Ca -0.25 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 2qyk h VAL 577 Cb 1.22 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2qyk h VAL 577 CO 0.51 0.00 0.12 -0.33 0.02 0.00 0.00 177.57 177.89 2qyk h GLU 578 N -0.62 0.27 -0.49 1.57 3.07 -1.95 -1.82 114.58 114.62 2qyk h GLU 578 Ca -0.02 -0.02 0.05 0.00 -0.50 0.00 0.00 59.36 58.86 2qyk h GLU 578 Cb 0.55 -0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 28.35 2qyk h GLU 578 CO -0.02 0.22 0.23 0.87 -1.40 0.00 0.00 179.01 178.92 2qyk h LYS 579 N 0.24 0.44 -0.73 2.33 1.57 -1.86 -2.12 116.57 116.45 2qyk h LYS 579 Ca 0.07 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2qyk h LYS 579 Cb 0.02 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 2qyk h LYS 579 CO -0.01 0.29 0.48 0.77 -0.57 0.00 0.00 179.45 180.41 2qyk h SER 580 N 0.46 0.84 -0.56 0.86 0.02 -0.84 -2.51 113.55 111.83 2qyk h SER 580 Ca 0.22 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.08 2qyk h SER 580 Cb 0.15 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 2qyk h SER 580 CO -0.17 0.61 0.07 1.56 -1.14 0.00 0.00 176.83 177.76 2qyk h GLN 581 N 0.99 0.94 -0.36 3.45 1.08 -0.90 0.90 115.11 121.21 2qyk h GLN 581 Ca 0.27 -0.26 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 2qyk h GLN 581 Cb -0.11 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.18 2qyk h GLN 581 CO -0.06 0.91 0.17 0.28 -0.95 0.00 0.00 178.83 179.19 2qyk h VAL 582 N 0.83 0.97 -0.49 -0.54 2.07 -1.19 0.24 116.25 118.14 2qyk h VAL 582 Ca 0.17 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.51 2qyk h VAL 582 Cb 0.44 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2qyk h VAL 582 CO 0.01 0.07 0.08 1.23 0.02 0.00 0.00 177.57 178.98 2qyk h GLY 583 N 0.36 0.87 0.84 2.17 0.00 -1.28 0.16 103.07 106.19 2qyk h GLY 583 Ca 0.15 -0.58 0.02 0.00 0.00 0.00 0.00 47.33 46.92 2qyk h GLY 583 CO -0.11 0.54 0.13 -2.75 0.00 0.00 0.00 176.54 174.35 2qyk h PHE 584 N 0.68 0.24 -0.16 5.60 3.57 -0.28 -0.40 116.94 126.19 2qyk h PHE 584 Ca 0.15 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 2qyk h PHE 584 Cb 0.40 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 2qyk h PHE 584 CO 0.03 0.12 -0.04 0.82 -2.23 0.00 0.00 178.31 177.01 2qyk h ILE 585 N 0.28 1.29 -0.73 1.41 2.04 -0.39 -0.68 117.51 120.72 2qyk h ILE 585 Ca 0.12 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 65.00 2qyk h ILE 585 Cb 0.06 1.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.72 2qyk h ILE 585 CO -0.10 0.30 0.45 0.44 0.00 0.00 0.00 178.15 179.24 2qyk h ASP 586 N 0.01 0.73 0.00 1.72 3.32 -0.40 0.17 116.42 121.96 2qyk h ASP 586 Ca 0.04 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2qyk h ASP 586 Cb 0.48 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.88 2qyk h ASP 586 CO 0.02 0.49 -0.69 -1.22 -1.72 0.00 0.00 179.24 176.12 2qyk n TYR 587 N -4.67 0.00 0.02 4.55 4.02 -0.18 -4.58 117.16 116.32 2qyk n TYR 587 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 2qyk n TYR 587 Cb 0.11 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 2qyk n TYR 587 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 2qyk n ILE 588 N -1.36 0.36 -0.10 -0.72 2.08 -0.37 -4.81 119.36 114.43 2qyk n ILE 588 Ca 0.02 0.12 -0.10 0.00 0.56 0.00 0.00 62.75 63.35 2qyk n ILE 588 Cb 0.22 -1.12 -0.02 0.00 -0.75 0.00 0.00 39.64 37.96 2qyk n ILE 588 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 2qyk h VAL 589 N 0.00 1.20 -0.40 1.39 2.07 -1.28 -2.70 116.25 116.54 2qyk h VAL 589 Ca 0.00 -0.63 -0.12 0.00 0.82 0.00 0.00 66.70 66.77 2qyk h VAL 589 Cb 0.00 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2qyk h VAL 589 CO 0.00 0.22 -0.22 -0.74 0.02 0.00 0.00 177.57 176.85 2qyk h HIS 590 N 0.36 0.98 -0.80 1.57 -0.00 -0.90 -1.90 115.15 114.46 2qyk h HIS 590 Ca 0.10 -0.25 0.02 0.00 -0.00 0.00 0.00 60.37 60.24 2qyk h HIS 590 Cb 0.23 -0.22 -0.04 0.00 -0.00 0.00 0.00 27.41 27.37 2qyk h HIS 590 CO 0.00 1.02 0.52 -1.35 -0.00 0.00 0.00 177.93 178.12 2qyk h PRO 591 N 0.65 1.00 0.54 5.26 0.11 -1.74 0.13 132.00 137.96 2qyk h PRO 591 Ca 0.08 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 2qyk h PRO 591 Cb 0.78 -0.23 0.01 0.00 0.11 0.00 0.00 31.00 31.67 2qyk h PRO 591 CO 0.06 0.66 -0.26 1.25 -0.21 0.00 0.00 178.00 179.50 2qyk h LEU 592 N 1.03 -0.62 -1.17 2.35 5.85 -1.35 -2.58 115.31 118.82 2qyk h LEU 592 Ca 0.31 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 2qyk h LEU 592 Cb -0.05 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2qyk h LEU 592 CO -0.09 -0.36 0.06 -0.50 -0.34 0.00 0.00 178.44 177.21 2qyk h TRP 593 N -0.84 0.66 -0.87 1.25 4.06 -1.25 -0.63 115.95 118.33 2qyk h TRP 593 Ca -0.07 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 60.82 2qyk h TRP 593 Cb 0.60 -0.19 -0.04 0.00 -1.00 0.00 0.00 29.16 28.53 2qyk h TRP 593 CO -0.02 0.59 0.55 1.49 -3.56 0.00 0.00 178.44 177.49 2qyk h GLU 594 N 0.62 1.16 -0.18 0.49 4.81 -0.71 0.43 114.58 121.19 2qyk h GLU 594 Ca 0.14 -0.09 -0.22 0.00 -0.13 0.00 0.00 59.36 59.06 2qyk h GLU 594 Cb 0.29 -0.25 0.01 0.00 0.63 0.00 0.00 28.75 29.43 2qyk h GLU 594 CO 0.00 0.79 -0.73 1.15 -0.73 0.00 0.00 179.01 179.49 2qyk h THR 595 N 1.18 1.27 -0.31 0.32 2.02 -0.96 -2.19 112.91 114.25 2qyk h THR 595 Ca 0.31 -1.92 -0.01 0.00 0.77 0.00 0.00 66.41 65.56 2qyk h THR 595 Cb -0.09 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 2qyk h THR 595 CO -0.06 0.61 0.16 -0.25 0.37 0.00 0.00 175.52 176.36 2qyk h TRP 596 N 0.57 0.44 -0.96 3.16 2.91 -0.44 -0.99 115.95 120.64 2qyk h TRP 596 Ca -0.04 -0.02 0.09 0.00 1.13 0.00 0.00 58.89 60.06 2qyk h TRP 596 Cb 1.36 -0.14 -0.07 0.00 -0.51 0.00 0.00 29.16 29.80 2qyk h TRP 596 CO 0.08 0.37 0.62 0.00 -1.03 0.00 0.00 178.44 178.48 2qyk h ALA 597 N 1.03 1.53 -0.35 2.65 0.00 -0.14 -0.60 119.26 123.38 2qyk h ALA 597 Ca 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2qyk h ALA 597 Cb 0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2qyk h ALA 597 CO -0.02 0.28 0.21 0.22 0.00 0.00 0.00 179.25 179.94 2qyk h ASP 598 N 1.01 0.43 -0.51 0.00 3.58 -0.72 0.11 116.42 120.32 2qyk h ASP 598 Ca 0.45 -0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.85 2qyk h ASP 598 Cb 0.36 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 2qyk h ASP 598 CO -0.20 0.37 0.31 0.25 -2.88 0.00 0.00 179.24 177.09 2qyk h LEU 599 N 0.46 0.52 -3.48 2.28 5.85 0.18 -3.08 115.31 118.03 2qyk h LEU 599 Ca 0.13 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.69 2qyk h LEU 599 Cb 0.02 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 40.85 2qyk h LEU 599 CO -0.02 0.37 0.10 1.33 -0.34 0.00 0.00 178.44 179.88 2qyk n VAL 600 N -4.78 2.62 -1.54 1.05 0.24 -0.77 -4.96 118.33 110.18 2qyk n VAL 600 Ca 0.03 -2.07 -0.50 0.00 -2.04 0.00 0.00 64.34 59.76 2qyk n VAL 600 Cb 0.06 -0.32 -0.04 0.00 -1.47 0.00 0.00 33.84 32.06 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 -0.63 0.96 -1.11 6.34 -0.00 0.36 -0.95 115.22 120.20 2qyk n HIS 601 Ca 0.33 0.78 -0.02 0.00 -0.00 0.00 0.00 57.72 58.81 2qyk n HIS 601 Cb 1.13 -2.21 0.27 0.00 -0.00 0.00 0.00 29.99 29.19 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 1.59 3.16 -0.28 1.57 -0.04 -1.26 -4.97 135.00 134.77 2qyk n PRO 602 Ca 0.16 -3.05 0.18 0.00 -0.04 0.00 0.00 63.50 60.76 2qyk n PRO 602 Cb 0.22 -2.05 0.47 0.00 -0.04 0.00 0.00 33.50 32.11 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 2.12 0.50 -0.57 3.54 3.32 -1.34 -2.27 116.42 121.72 2qyk h ASP 603 Ca 0.19 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.30 2qyk h ASP 603 Cb 1.98 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 41.50 2qyk h ASP 603 CO 0.54 0.18 0.00 0.00 -1.72 0.00 0.00 179.24 178.24 2qyk n ALA 604 N -2.47 3.26 -0.35 3.45 0.00 -1.26 -4.55 120.51 118.60 2qyk n ALA 604 Ca 0.21 -1.75 -0.02 0.00 0.00 0.00 0.00 53.44 51.87 2qyk n ALA 604 Cb 0.70 -0.98 0.10 0.00 0.00 0.00 0.00 19.45 19.27 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 3.72 1.21 -0.53 0.00 5.75 -1.75 -0.90 115.11 122.62 2qyk h GLN 605 Ca 0.00 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.38 2qyk h GLN 605 Cb 1.57 -0.27 -0.02 0.00 1.07 0.00 0.00 27.48 29.83 2qyk h GLN 605 CO 0.29 0.80 0.13 1.49 -2.65 0.00 0.00 178.83 178.90 2qyk h GLU 606 N 1.25 0.84 -0.74 1.69 4.81 -1.82 -0.79 114.58 119.82 2qyk h GLU 606 Ca 0.35 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2qyk h GLU 606 Cb -0.12 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.11 2qyk h GLU 606 CO -0.08 0.80 0.37 0.82 -0.73 0.00 0.00 179.01 180.18 2qyk h ILE 607 N 0.74 1.24 -0.32 2.32 2.04 -1.75 -2.05 117.51 119.72 2qyk h ILE 607 Ca 0.17 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 2qyk h ILE 607 Cb 0.33 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2qyk h ILE 607 CO 0.00 0.27 0.15 0.25 0.00 0.00 0.00 178.15 178.82 2qyk h LEU 608 N 1.03 0.42 -0.74 1.44 5.85 -0.85 -2.03 115.31 120.42 2qyk h LEU 608 Ca 0.26 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.90 2qyk h LEU 608 Cb 0.10 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 2qyk h LEU 608 CO -0.03 0.44 0.44 0.44 -0.34 0.00 0.00 178.44 179.38 2qyk h ASP 609 N 0.38 0.68 -0.74 1.25 3.32 -0.83 -1.16 116.42 119.32 2qyk h ASP 609 Ca 0.11 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 2qyk h ASP 609 Cb 0.13 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 2qyk h ASP 609 CO -0.01 0.44 0.33 0.74 -1.72 0.00 0.00 179.24 179.02 2qyk h THR 610 N 0.81 1.25 -0.61 0.35 2.02 -1.13 -0.29 112.91 115.30 2qyk h THR 610 Ca 0.33 -0.73 0.01 0.00 0.77 0.00 0.00 66.41 66.79 2qyk h THR 610 Cb 0.16 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.89 2qyk h THR 610 CO -0.17 0.30 0.41 0.25 0.37 0.00 0.00 175.52 176.68 2qyk h LEU 611 N 1.05 0.70 -0.79 2.58 5.85 -0.59 0.14 115.31 124.25 2qyk h LEU 611 Ca 0.25 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.86 2qyk h LEU 611 Cb 0.16 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 2qyk h LEU 611 CO -0.03 0.51 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.14 2qyk h GLU 612 N 0.83 0.79 -0.44 1.25 5.08 -0.83 0.05 114.58 121.32 2qyk h GLU 612 Ca 0.23 -0.27 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2qyk h GLU 612 Cb -0.09 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2qyk h GLU 612 CO -0.05 0.87 0.14 -0.44 -1.00 0.00 0.00 179.01 178.53 2qyk h ASP 613 N 0.72 0.64 -0.13 1.42 3.32 -0.35 -0.76 116.42 121.28 2qyk h ASP 613 Ca 0.12 -0.21 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 2qyk h ASP 613 Cb 0.60 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 2qyk h ASP 613 CO 0.04 0.68 -0.13 0.78 -1.72 0.00 0.00 179.24 178.89 2qyk h ASN 614 N 0.58 0.48 -0.38 6.45 2.35 -0.45 -0.97 115.58 123.63 2qyk h ASN 614 Ca 0.14 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 2qyk h ASN 614 Cb 0.26 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 2qyk h ASN 614 CO -0.00 0.64 0.16 -0.09 -1.65 0.00 0.00 177.43 176.48 2qyk h ARG 615 N 0.45 0.57 -0.40 0.81 1.12 -0.56 -1.60 114.38 114.77 2qyk h ARG 615 Ca 0.08 -0.10 0.04 0.00 -1.11 0.00 0.00 59.98 58.89 2qyk h ARG 615 Cb 0.50 -0.09 -0.04 0.00 -0.01 0.00 0.00 29.97 30.33 2qyk h ARG 615 CO 0.03 0.53 0.18 -0.44 -3.11 0.00 0.00 179.97 177.16 2qyk h ASP 616 N 0.47 0.25 0.09 -3.80 3.32 -0.55 -1.37 116.42 114.83 2qyk h ASP 616 Ca 0.13 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 2qyk h ASP 616 Cb 0.17 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2qyk h ASP 616 CO -0.01 0.18 -0.04 -0.25 -1.72 0.00 0.00 179.24 177.40 2qyk h TRP 617 N 0.37 -0.11 -0.90 4.55 7.01 -0.85 -1.26 115.95 124.76 2qyk h TRP 617 Ca 0.17 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 2qyk h TRP 617 Cb 0.11 0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 27.16 2qyk h TRP 617 CO -0.11 -0.05 0.51 1.88 -2.79 0.00 0.00 178.44 177.87 2qyk h TYR 618 N -0.14 1.21 -0.34 2.65 0.05 -1.19 0.15 116.97 119.35 2qyk h TYR 618 Ca -0.01 -0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.76 2qyk h TYR 618 Cb 0.11 -0.39 -0.02 0.00 1.01 0.00 0.00 36.73 37.44 2qyk h TYR 618 CO -0.07 0.83 0.21 -0.92 -1.05 0.00 0.00 178.16 177.16 2qyk h TYR 619 N 1.25 0.39 0.00 4.88 3.20 -1.01 -1.49 116.97 124.18 2qyk h TYR 619 Ca 0.32 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.20 2qyk h TYR 619 Cb 0.00 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.14 2qyk h TYR 619 CO 0.01 0.23 0.00 0.66 -1.64 0.00 0.00 178.16 177.42 2qyk h SER 620 N 0.42 0.00 1.53 -2.11 4.64 -0.85 -2.59 113.55 114.60 2qyk h SER 620 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2qyk h SER 620 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2qyk h SER 620 CO -0.06 0.00 -0.09 0.00 -0.87 0.00 0.00 176.83 175.81 2qyk h ALA 621 N 2.03 0.94 0.00 5.18 0.00 0.02 -3.51 119.26 123.93 2qyk h ALA 621 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qyk h ALA 621 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2qyk h ALA 621 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 179.25 178.36