============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. HIS 7 0.900 64.995 211.352 52.046 -99.200 -91.000 PHE 14 1.000 54.254 215.706 42.146 -99.200 -91.000 HIS 17 0.900 60.451 215.101 44.106 -99.200 -91.000 PHE 64 1.000 64.386 245.786 16.583 -99.200 -91.000 HIS 66 0.900 58.291 249.212 24.279 -99.200 -91.000 HIS 69 0.900 65.179 249.063 12.360 -99.200 -91.000 TYR 71 0.840 66.792 252.700 23.127 -99.200 -91.000 HIS 72 0.900 65.633 247.986 20.184 -99.200 -91.000 PHE 86 1.000 83.218 239.879 32.226 -99.200 -91.000 TYR 93 0.840 83.501 234.820 25.895 -99.200 -91.000 TYR 136 0.840 46.677 265.727 18.992 -99.200 -91.000 TRP 146 1.040 48.804 258.948 17.223 -99.200 -91.000 TRP6 146 1.020 50.556 257.409 16.869 -99.200 -91.000 TYR 149 0.840 43.170 248.392 13.894 -99.200 -91.000 TYR 163 0.840 40.811 245.243 28.952 -99.200 -91.000 PHE 180 1.000 36.198 261.850 18.406 -99.200 -91.000 PHE 190 1.000 51.779 256.260 38.006 -99.200 -91.000 PHE 219 1.000 68.597 247.021 13.227 -99.200 -91.000 PHE 229 1.000 63.270 235.879 22.242 -99.200 -91.000 PHE 232 1.000 49.770 239.660 19.659 -99.200 -91.000 HIS 240 0.900 55.037 227.225 7.267 -99.200 -91.000 HIS 262 0.900 40.655 232.592 23.256 -99.200 -91.000 PHE 268 1.000 52.396 224.495 21.463 -99.200 -91.000 PHE 295 1.000 45.724 226.940 35.695 -99.200 -91.000 TYR 358 0.840 65.571 248.069 44.102 -99.200 -91.000 HIS 367 0.900 72.471 232.055 39.767 -99.200 -91.000 PHE 378 1.000 59.615 211.798 41.541 -99.200 -91.000 HIS 379 0.900 66.523 216.094 38.259 -99.200 -91.000 PHE 383 1.000 66.266 209.025 31.191 -99.200 -91.000 HIS 392 0.900 55.198 205.459 18.738 -99.200 -91.000 TYR 409 0.840 68.947 211.175 35.638 -99.200 -91.000 HIS 427 0.900 71.092 222.150 20.606 -99.200 -91.000 TYR 432 0.840 65.781 211.794 25.842 -99.200 -91.000 HIS 445 0.900 83.364 231.958 18.115 -99.200 -91.000 HIS 452 0.900 73.864 230.881 27.382 -99.200 -91.000 TYR 454 0.840 68.248 223.931 22.241 -99.200 -91.000 PHE 458 1.000 75.901 226.699 33.143 -99.200 -91.000 TRP 470 1.040 88.836 212.471 16.331 -99.200 -91.000 TRP6 470 1.020 87.457 214.320 15.906 -99.200 -91.000 PHE 490 1.000 79.609 225.106 36.627 -99.200 -91.000 PHE 491 1.000 83.901 219.765 36.414 -99.200 -91.000 TRP 503 1.040 86.154 205.316 17.139 -99.200 -91.000 TRP6 503 1.020 87.121 205.266 19.295 -99.200 -91.000 PHE 509 1.000 75.631 209.289 16.470 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1a5uG1 ILE 4212 HA -0.04 -0.15 0.22 -0.75 4.18 3.45 1a5uG1 ILE 4212 HB -0.01 0.07 -0.02 -0.04 1.89 1.88 1a5uG1 ILE 4212 HG12 -0.03 -0.04 0.03 -0.04 1.49 1.41 1a5uG1 ILE 4212 HG13 -0.02 0.01 0.01 -0.04 1.21 1.17 1a5uG1 ILE 4212 HG23 -0.01 0.08 -0.18 -0.04 0.93 0.77 1a5uG1 ILE 4212 HD13 -0.02 -0.03 -0.05 -0.04 0.88 0.74 1a5uG1 GLN 4213 H -0.03 0.00 0.08 -0.55 8.47 7.98 1a5uG1 GLN 4213 HA 0.00 0.06 0.41 -0.75 4.36 4.08 1a5uG1 GLN 4213 HB2 0.01 -0.08 0.11 -0.04 2.15 2.14 1a5uG1 GLN 4213 HB3 0.03 0.04 -0.03 -0.04 2.02 2.01 1a5uG1 GLN 4213 HG2 0.02 0.05 0.06 -0.04 2.40 2.49 1a5uG1 GLN 4213 HG3 -0.00 -0.01 0.03 -0.04 2.39 2.37 1a5uG1 GLN 4213 HE21 0.09 0.06 -0.09 -0.04 6.97 6.99 1a5uG1 GLN 4213 HE22 -0.01 -0.05 -0.02 -0.04 7.69 7.57 1a5uG1 THR 4214 H 0.02 0.10 0.19 -0.55 8.28 8.04 1a5uG1 THR 4214 HA 0.01 0.13 0.87 -0.75 4.39 4.65 1a5uG1 THR 4214 HB 0.02 0.24 0.18 -0.04 4.32 4.71 1a5uG1 THR 4214 HG23 0.01 -0.01 0.06 -0.04 1.22 1.24 1a5uG1 GLN 4215 H 0.02 0.92 0.08 -0.55 8.47 8.94 1a5uG1 GLN 4215 HA 0.03 0.06 0.22 -0.75 4.36 3.92 1a5uG1 GLN 4215 HB2 0.03 -0.07 -0.39 -0.04 2.15 1.67 1a5uG1 GLN 4215 HB3 0.04 0.05 0.07 -0.04 2.02 2.14 1a5uG1 GLN 4215 HG2 0.05 0.06 0.12 -0.04 2.40 2.59 1a5uG1 GLN 4215 HG3 0.03 -0.06 0.11 -0.04 2.39 2.43 1a5uG1 GLN 4215 HE21 0.01 0.04 -0.04 -0.04 6.97 6.93 1a5uG1 GLN 4215 HE22 0.02 0.06 -0.01 -0.04 7.69 7.71 1a5uG1 GLN 4216 H 0.02 0.11 -0.29 -0.55 8.47 7.76 1a5uG1 GLN 4216 HA 0.01 -0.11 0.27 -0.75 4.36 3.77 1a5uG1 GLN 4216 HB2 0.05 0.46 -0.00 -0.04 2.15 2.62 1a5uG1 GLN 4216 HB3 -0.05 -0.12 0.11 -0.04 2.02 1.92 1a5uG1 GLN 4216 HG2 0.02 -0.13 -0.36 -0.04 2.40 1.90 1a5uG1 GLN 4216 HG3 0.01 0.08 -0.35 -0.04 2.39 2.08 1a5uG1 GLN 4216 HE21 -0.02 0.17 0.08 -0.04 6.97 7.16 1a5uG1 GLN 4216 HE22 -0.01 0.11 0.02 -0.04 7.69 7.78 1a5uG1 LEU 4217 H 0.04 0.38 -0.44 -0.55 8.37 7.80 1a5uG1 LEU 4217 HA 0.06 0.16 0.37 -0.75 4.35 4.19 1a5uG1 LEU 4217 HB2 0.04 -0.03 0.04 -0.04 1.64 1.66 1a5uG1 LEU 4217 HB3 0.05 -0.06 0.03 -0.04 1.64 1.61 1a5uG1 LEU 4217 HG 0.04 0.22 -0.00 -0.04 1.64 1.85 1a5uG1 LEU 4217 HD13 0.03 -0.04 0.00 -0.04 0.93 0.87 1a5uG1 LEU 4217 HD23 0.03 0.00 0.02 -0.04 0.89 0.90 1a5uG1 HIS 4218 H 0.11 0.06 -0.30 -0.55 8.41 7.73 1a5uG1 HIS 4218 HA -0.00 0.12 0.49 -0.75 4.63 4.48 1a5uG1 HIS 4218 HB2 -0.02 -0.03 0.06 -0.04 3.26 3.23 1a5uG1 HIS 4218 HB3 -0.04 0.04 0.06 -0.04 3.20 3.22 1a5uG1 HIS 4218 HD2 -0.05 0.09 -0.03 -0.04 6.97 6.94 1a5uG1 HIS 4218 HE1 -0.01 -0.03 -0.03 -0.04 7.75 7.64 1a5uG1 ALA 4219 H -0.03 0.08 -0.21 -0.55 8.40 7.69 1a5uG1 ALA 4219 HA -0.28 0.02 0.37 -0.75 4.34 3.69 1a5uG1 ALA 4219 HB3 -0.37 0.11 -0.02 -0.04 1.41 1.09 1a5uG1 ALA 4220 H 0.05 0.34 -0.29 -0.55 8.40 7.96 1a5uG1 ALA 4220 HA 0.22 0.01 0.42 -0.75 4.34 4.24 1a5uG1 ALA 4220 HB3 0.10 0.09 0.09 -0.04 1.41 1.65 1a5uG1 MET 4221 H 0.01 0.25 -0.79 -0.55 8.47 7.40 1a5uG1 MET 4221 HA 0.07 0.07 0.51 -0.75 4.52 4.42 1a5uG1 MET 4221 HB2 -0.02 0.06 0.04 -0.04 2.15 2.19 1a5uG1 MET 4221 HB3 0.04 -0.12 0.11 -0.04 2.03 2.01 1a5uG1 MET 4221 HG2 0.04 0.18 0.11 -0.04 2.63 2.92 1a5uG1 MET 4221 HG3 0.08 -0.15 0.09 -0.04 2.56 2.55 1a5uG1 MET 4221 HE3 0.04 -0.02 0.01 -0.04 2.10 2.09 1a5uG1 ALA 4222 H -0.02 0.55 -0.27 -0.55 8.40 8.11 1a5uG1 ALA 4222 HA -0.03 -0.04 0.35 -0.75 4.34 3.87 1a5uG1 ALA 4222 HB3 -0.16 -0.04 -0.09 -0.04 1.41 1.09 1a5uG1 ASP 4223 H 0.05 -0.03 0.17 -0.55 8.40 8.04 1a5uG1 ASP 4223 HA 0.14 0.25 0.71 -0.75 4.63 4.97 1a5uG1 ASP 4223 HB2 0.05 -0.11 0.12 -0.04 2.71 2.73 1a5uG1 ASP 4223 HB3 0.06 -0.02 0.05 -0.04 2.70 2.75 1a5uG1 THR 4224 H 0.09 -0.04 0.07 -0.55 8.28 7.85 1a5uG1 THR 4224 HA 0.20 0.39 1.10 -0.75 4.39 5.33 1a5uG1 THR 4224 HB 0.12 -0.12 0.16 -0.04 4.32 4.44 1a5uG1 THR 4224 HG23 0.07 0.04 -0.06 -0.04 1.22 1.23 1a5uG1 PHE 4225 H 0.34 0.17 0.16 -0.55 8.34 8.45 1a5uG1 PHE 4225 HA 0.14 0.24 0.51 -0.75 4.62 4.76 1a5uG1 PHE 4225 HB2 0.18 0.10 0.11 -0.04 3.15 3.49 1a5uG1 PHE 4225 HB3 0.09 -0.08 0.16 -0.04 3.06 3.18 1a5uG1 PHE 4225 HD2 0.14 -0.01 -0.02 -0.04 7.28 7.35 1a5uG1 PHE 4225 HE2 0.06 0.04 -0.02 -0.04 7.38 7.42 1a5uG1 PHE 4225 HZ 0.04 0.04 -0.02 -0.04 7.32 7.34 1a5uG1 LEU 4226 H 0.13 0.06 0.01 -0.55 8.37 8.02 1a5uG1 LEU 4226 HA -0.21 0.12 0.45 -0.75 4.35 3.97 1a5uG1 LEU 4226 HB2 0.03 0.04 0.12 -0.04 1.64 1.79 1a5uG1 LEU 4226 HB3 0.01 -0.08 0.11 -0.04 1.64 1.64 1a5uG1 LEU 4226 HG -0.06 0.03 -0.26 -0.04 1.64 1.31 1a5uG1 LEU 4226 HD13 -0.05 0.01 0.03 -0.04 0.93 0.88 1a5uG1 LEU 4226 HD23 -0.00 0.01 -0.02 -0.04 0.89 0.84 1a5uG1 GLU 4227 H -0.03 -0.01 -0.25 -0.55 8.60 7.77 1a5uG1 GLU 4227 HA -0.10 0.05 0.24 -0.75 4.29 3.73 1a5uG1 GLU 4227 HB2 -0.03 -0.05 0.09 -0.04 2.09 2.06 1a5uG1 GLU 4227 HB3 -0.05 0.01 -0.01 -0.04 1.99 1.91 1a5uG1 GLU 4227 HG2 -0.13 0.11 -0.22 -0.04 2.34 2.06 1a5uG1 GLU 4227 HG3 -0.10 0.04 0.04 -0.04 2.34 2.27 1a5uG1 HIS 4228 H -0.19 0.23 -0.61 -0.55 8.41 7.30 1a5uG1 HIS 4228 HA -0.43 0.10 0.53 -0.75 4.63 4.07 1a5uG1 HIS 4228 HB2 -1.25 0.06 0.09 -0.04 3.26 2.13 1a5uG1 HIS 4228 HB3 -0.69 0.12 0.21 -0.04 3.20 2.80 1a5uG1 HIS 4228 HD2 -0.26 -0.07 -0.11 -0.04 6.97 6.48 1a5uG1 HIS 4228 HE1 -0.11 0.16 -0.34 -0.04 7.75 7.42 1a5uG1 MET 4229 H -0.44 0.47 0.01 -0.55 8.47 7.96 1a5uG1 MET 4229 HA -0.38 0.08 0.42 -0.75 4.52 3.89 1a5uG1 MET 4229 HB2 -0.31 0.05 0.19 -0.04 2.15 2.04 1a5uG1 MET 4229 HB3 -0.22 -0.05 -0.03 -0.04 2.03 1.69 1a5uG1 MET 4229 HG2 -0.29 0.01 0.04 -0.04 2.63 2.36 1a5uG1 MET 4229 HG3 -0.87 0.11 0.09 -0.04 2.56 1.84 1a5uG1 MET 4229 HE3 -0.07 -0.01 -0.02 -0.04 2.10 1.96 1a5uG1 CYS 4230 H -0.21 0.46 -0.10 -0.55 8.50 8.10 1a5uG1 CYS 4230 HA -0.12 -0.02 0.35 -0.75 4.58 4.04 1a5uG1 CYS 4230 HB2 -0.12 0.12 0.00 -0.04 2.97 2.93 1a5uG1 CYS 4230 HB3 -0.08 -0.04 0.01 -0.04 2.97 2.82 1a5uG1 ARG 4231 H -0.26 0.30 -0.94 -0.55 8.46 7.02 1a5uG1 ARG 4231 HA -0.09 0.09 0.71 -0.75 4.34 4.29 1a5uG1 ARG 4231 HB2 -0.32 0.26 0.16 -0.04 1.90 1.96 1a5uG1 ARG 4231 HB3 -0.25 -0.20 -0.02 -0.04 1.80 1.29 1a5uG1 ARG 4231 HG2 -0.25 -0.08 -0.07 -0.04 1.67 1.23 1a5uG1 ARG 4231 HG3 -0.19 -0.01 -0.11 -0.04 1.67 1.32 1a5uG1 ARG 4231 HD2 -0.32 0.04 -0.05 -0.04 3.22 2.85 1a5uG1 ARG 4231 HD3 -0.82 0.04 -0.37 -0.04 3.22 2.03 1a5uG1 LEU 4232 H -0.23 0.60 -0.10 -0.55 8.37 8.09 1a5uG1 LEU 4232 HA -0.16 -0.03 0.50 -0.75 4.35 3.92 1a5uG1 LEU 4232 HB2 -0.13 -0.04 0.11 -0.04 1.64 1.54 1a5uG1 LEU 4232 HB3 -0.12 -0.04 0.05 -0.04 1.64 1.49 1a5uG1 LEU 4232 HG -0.38 0.13 0.24 -0.04 1.64 1.59 1a5uG1 LEU 4232 HD13 -0.16 -0.03 0.05 -0.04 0.93 0.76 1a5uG1 LEU 4232 HD23 -0.34 0.00 -0.01 -0.04 0.89 0.50 1a5uG1 ASP 4233 H -0.06 0.17 0.23 -0.55 8.40 8.20 1a5uG1 ASP 4233 HA -0.03 0.11 0.86 -0.75 4.63 4.82 1a5uG1 ASP 4233 HB2 -0.01 0.24 0.01 -0.04 2.71 2.91 1a5uG1 ASP 4233 HB3 -0.01 -0.03 0.24 -0.04 2.70 2.85 1a5uG1 ILE 4234 H -0.03 0.21 0.11 -0.55 8.25 7.99 1a5uG1 ILE 4234 HA -0.02 0.14 0.30 -0.75 4.18 3.84 1a5uG1 ILE 4234 HB -0.02 0.03 0.12 -0.04 1.89 1.98 1a5uG1 ILE 4234 HG12 -0.02 -0.07 -0.02 -0.04 1.49 1.34 1a5uG1 ILE 4234 HG13 -0.01 0.04 -0.28 -0.04 1.21 0.92 1a5uG1 ILE 4234 HG23 -0.03 0.01 0.03 -0.04 0.93 0.90 1a5uG1 ILE 4234 HD13 -0.02 -0.01 -0.01 -0.04 0.88 0.80 1a5uG1 ASP 4235 H -0.02 -0.05 -0.59 -0.55 8.40 7.20 1a5uG1 ASP 4235 HA -0.01 0.24 0.90 -0.75 4.63 5.01 1a5uG1 ASP 4235 HB2 -0.01 -0.04 0.03 -0.04 2.71 2.65 1a5uG1 ASP 4235 HB3 -0.01 0.05 0.12 -0.04 2.70 2.82 1a5uG1 SER 4236 H -0.01 0.57 -0.16 -0.55 8.46 8.31 1a5uG1 SER 4236 HA 0.00 0.24 0.69 -0.75 4.49 4.67 1a5uG1 SER 4236 HB2 0.01 0.08 0.07 -0.04 3.95 4.06 1a5uG1 SER 4236 HB3 -0.00 0.05 0.25 -0.04 3.93 4.19 1a5uG1 ALA 4237 H 0.00 0.25 0.24 -0.55 8.40 8.35 1a5uG1 ALA 4237 HA 0.01 0.12 0.43 -0.75 4.34 4.14 1a5uG1 ALA 4237 HB3 0.01 0.02 0.12 -0.04 1.41 1.52 1a5uG1 PRO 4238 HA 0.02 0.02 0.51 -0.51 4.44 4.47 1a5uG1 PRO 4238 HB2 -0.00 0.23 0.01 -0.04 2.28 2.48 1a5uG1 PRO 4238 HB3 0.00 0.05 -0.02 -0.04 2.02 2.01 1a5uG1 PRO 4238 HG2 0.00 0.06 0.01 -0.04 2.03 2.06 1a5uG1 PRO 4238 HG3 -0.00 -0.02 0.03 -0.04 2.03 1.99 1a5uG1 PRO 4238 HD2 0.01 0.04 0.19 -0.04 3.68 3.87 1a5uG1 PRO 4238 HD3 0.00 0.17 0.21 -0.04 3.65 3.99 1a5uG1 ILE 4239 H 0.01 0.12 0.19 -0.55 8.25 8.03 1a5uG1 ILE 4239 HA 0.02 0.14 0.75 -0.75 4.18 4.34 1a5uG1 ILE 4239 HB 0.00 -0.06 0.22 -0.04 1.89 2.01 1a5uG1 ILE 4239 HG12 0.01 -0.05 0.12 -0.04 1.49 1.53 1a5uG1 ILE 4239 HG13 -0.02 0.12 -0.17 -0.04 1.21 1.10 1a5uG1 ILE 4239 HG23 0.02 -0.00 0.04 -0.04 0.93 0.94 1a5uG1 ILE 4239 HD13 -0.04 0.01 0.05 -0.04 0.88 0.86 1a5uG1 THR 4240 H 0.05 0.13 0.18 -0.55 8.28 8.09 1a5uG1 THR 4240 HA 0.08 0.05 0.42 -0.75 4.39 4.19 1a5uG1 THR 4240 HB 0.19 0.09 -0.03 -0.04 4.32 4.54 1a5uG1 THR 4240 HG23 0.06 -0.03 0.06 -0.04 1.22 1.27 1a5uG1 ALA 4241 H -0.07 0.03 -0.02 -0.55 8.40 7.78 1a5uG1 ALA 4241 HA 0.04 0.08 0.47 -0.75 4.34 4.17 1a5uG1 ALA 4241 HB3 -0.94 0.01 0.02 -0.04 1.41 0.46 1a5uG1 ARG 4242 H 0.42 0.23 0.13 -0.55 8.46 8.68 1a5uG1 ARG 4242 HA 0.06 0.09 0.91 -0.75 4.34 4.65 1a5uG1 ARG 4242 HB2 -0.11 0.11 -0.00 -0.04 1.90 1.85 1a5uG1 ARG 4242 HB3 0.22 0.04 0.16 -0.04 1.80 2.17 1a5uG1 ARG 4242 HG2 -0.02 -0.18 -0.06 -0.04 1.67 1.37 1a5uG1 ARG 4242 HG3 -0.19 0.07 0.09 -0.04 1.67 1.60 1a5uG1 ARG 4242 HD2 0.03 0.25 -0.16 -0.04 3.22 3.31 1a5uG1 ARG 4242 HD3 0.02 -0.13 -0.03 -0.04 3.22 3.04 1a5uG1 ASN 4243 H 0.07 0.17 0.06 -0.55 8.53 8.29 1a5uG1 ASN 4243 HA -0.05 0.13 0.48 -0.75 4.76 4.56 1a5uG1 ASN 4243 HB2 0.05 0.01 0.06 -0.04 2.88 2.96 1a5uG1 ASN 4243 HB3 0.04 -0.08 0.06 -0.04 2.79 2.77 1a5uG1 ASN 4243 HD21 0.07 0.24 -0.21 -0.04 7.03 7.08 1a5uG1 ASN 4243 HD22 0.10 -0.01 -0.07 -0.04 7.74 7.72 1a5uG1 THR 4244 H 0.00 0.00 -0.08 -0.55 8.28 7.66 1a5uG1 THR 4244 HA -0.02 0.19 0.55 -0.75 4.39 4.35 1a5uG1 THR 4244 HB -0.01 -0.10 -0.01 -0.04 4.32 4.16 1a5uG1 THR 4244 HG23 -0.02 0.05 -0.24 -0.04 1.22 0.96 1a5uG1 GLY 4245 H -0.04 0.50 0.38 -0.55 8.43 8.72 1a5uG1 GLY 4245 HA2 -0.09 0.11 0.45 -0.51 4.01 3.97 1a5uG1 GLY 4245 HA3 -0.05 0.15 0.37 -0.51 4.01 3.97 1a5uG1 ILE 4246 H -0.08 0.28 0.20 -0.55 8.25 8.10 1a5uG1 ILE 4246 HA -0.02 0.29 1.22 -0.75 4.18 4.92 1a5uG1 ILE 4246 HB -0.02 0.22 0.05 -0.04 1.89 2.11 1a5uG1 ILE 4246 HG12 0.01 -0.16 -0.15 -0.04 1.49 1.15 1a5uG1 ILE 4246 HG13 0.00 0.11 -0.37 -0.04 1.21 0.92 1a5uG1 ILE 4246 HG23 0.00 -0.07 -0.38 -0.04 0.93 0.44 1a5uG1 ILE 4246 HD13 0.07 0.04 -0.16 -0.04 0.88 0.79 1a5uG1 ILE 4247 H -0.01 0.72 0.37 -0.55 8.25 8.78 1a5uG1 ILE 4247 HA 0.03 0.21 0.85 -0.75 4.18 4.51 1a5uG1 ILE 4247 HB 0.01 -0.12 0.02 -0.04 1.89 1.77 1a5uG1 ILE 4247 HG12 0.09 0.01 -0.25 -0.04 1.49 1.29 1a5uG1 ILE 4247 HG13 -0.00 0.08 -0.31 -0.04 1.21 0.93 1a5uG1 ILE 4247 HG23 0.18 -0.05 -0.42 -0.04 0.93 0.60 1a5uG1 ILE 4247 HD13 -0.08 -0.00 -0.28 -0.04 0.88 0.47 1a5uG1 CYS 4248 H 0.04 0.99 0.40 -0.55 8.50 9.38 1a5uG1 CYS 4248 HA 0.04 0.09 1.08 -0.75 4.58 5.04 1a5uG1 CYS 4248 HB2 0.03 0.06 0.14 -0.04 2.97 3.15 1a5uG1 CYS 4248 HB3 0.04 0.01 -0.15 -0.04 2.97 2.82 1a5uG1 THR 4249 H 0.06 0.55 0.33 -0.55 8.28 8.67 1a5uG1 THR 4249 HA 0.10 0.08 0.56 -0.75 4.39 4.38 1a5uG1 THR 4249 HB 0.07 0.02 0.29 -0.04 4.32 4.65 1a5uG1 THR 4249 HG23 0.11 -0.02 -0.19 -0.04 1.22 1.09 1a5uG1 ILE 4250 H 0.09 0.51 0.33 -0.55 8.25 8.63 1a5uG1 ILE 4250 HA 0.07 0.12 0.63 -0.75 4.18 4.25 1a5uG1 ILE 4250 HB 0.09 -0.05 0.01 -0.04 1.89 1.90 1a5uG1 ILE 4250 HG12 0.06 -0.02 0.06 -0.04 1.49 1.55 1a5uG1 ILE 4250 HG13 0.05 0.02 -0.07 -0.04 1.21 1.17 1a5uG1 ILE 4250 HG23 0.05 0.02 -0.24 -0.04 0.93 0.72 1a5uG1 ILE 4250 HD13 0.04 0.03 -0.22 -0.04 0.88 0.69 1a5uG1 GLY 4251 H 0.07 0.18 0.15 -0.55 8.43 8.28 1a5uG1 GLY 4251 HA2 0.23 0.10 0.57 -0.51 4.01 4.40 1a5uG1 GLY 4251 HA3 0.13 0.06 0.40 -0.51 4.01 4.09 1a5uG1 PRO 4252 HA 0.10 0.00 0.40 -0.51 4.44 4.43 1a5uG1 PRO 4252 HB2 0.03 0.14 0.03 -0.04 2.28 2.44 1a5uG1 PRO 4252 HB3 0.07 -0.01 0.12 -0.04 2.02 2.15 1a5uG1 PRO 4252 HG2 0.01 0.07 0.09 -0.04 2.03 2.17 1a5uG1 PRO 4252 HG3 0.06 -0.02 0.09 -0.04 2.03 2.11 1a5uG1 PRO 4252 HD2 0.07 0.14 0.21 -0.04 3.68 4.06 1a5uG1 PRO 4252 HD3 0.22 0.06 0.21 -0.04 3.65 4.09 1a5uG1 ALA 4253 H 0.03 0.73 -0.01 -0.55 8.40 8.61 1a5uG1 ALA 4253 HA 0.00 0.08 0.59 -0.75 4.34 4.26 1a5uG1 ALA 4253 HB3 0.00 0.06 -0.32 -0.04 1.41 1.10 1a5uG1 SER 4254 H 0.04 0.19 -0.13 -0.55 8.46 8.01 1a5uG1 SER 4254 HA 0.02 0.18 0.93 -0.75 4.49 4.87 1a5uG1 SER 4254 HB2 0.03 -0.04 0.03 -0.04 3.95 3.93 1a5uG1 SER 4254 HB3 0.03 0.04 -0.06 -0.04 3.93 3.90 1a5uG1 ARG 4255 H 0.02 0.45 0.05 -0.55 8.46 8.43 1a5uG1 ARG 4255 HA -0.00 0.03 0.34 -0.75 4.34 3.95 1a5uG1 ARG 4255 HB2 -0.02 0.07 0.01 -0.04 1.90 1.92 1a5uG1 ARG 4255 HB3 -0.08 -0.05 -0.18 -0.04 1.80 1.45 1a5uG1 ARG 4255 HG2 -0.15 -0.04 -0.07 -0.04 1.67 1.37 1a5uG1 ARG 4255 HG3 0.00 0.02 -0.18 -0.04 1.67 1.47 1a5uG1 ARG 4255 HD2 0.05 -0.11 -0.32 -0.04 3.22 2.80 1a5uG1 ARG 4255 HD3 -0.10 0.05 -0.13 -0.04 3.22 3.00 1a5uG1 SER 4256 H -0.00 0.12 -0.24 -0.55 8.46 7.80 1a5uG1 SER 4256 HA -0.01 0.13 0.57 -0.75 4.49 4.43 1a5uG1 SER 4256 HB2 -0.00 -0.10 0.10 -0.04 3.95 3.91 1a5uG1 SER 4256 HB3 -0.00 0.11 0.09 -0.04 3.93 4.08 1a5uG1 VAL 4257 H -0.00 0.16 0.21 -0.55 8.24 8.06 1a5uG1 VAL 4257 HA 0.02 0.19 0.42 -0.75 4.13 4.01 1a5uG1 VAL 4257 HB -0.00 -0.06 0.17 -0.04 2.12 2.19 1a5uG1 VAL 4257 HG13 0.00 0.02 -0.11 -0.04 0.97 0.85 1a5uG1 VAL 4257 HG23 0.00 0.07 0.16 -0.04 0.95 1.13 1a5uG1 GLU 4258 H 0.01 0.01 -0.20 -0.55 8.60 7.86 1a5uG1 GLU 4258 HA 0.01 0.16 0.47 -0.75 4.29 4.18 1a5uG1 GLU 4258 HB2 0.00 -0.06 0.09 -0.04 2.09 2.08 1a5uG1 GLU 4258 HB3 0.01 0.03 -0.03 -0.04 1.99 1.95 1a5uG1 GLU 4258 HG2 0.01 0.05 0.03 -0.04 2.34 2.39 1a5uG1 GLU 4258 HG3 0.00 0.01 0.01 -0.04 2.34 2.32 1a5uG1 THR 4259 H 0.01 -0.01 -0.19 -0.55 8.28 7.54 1a5uG1 THR 4259 HA 0.02 0.09 0.46 -0.75 4.39 4.21 1a5uG1 THR 4259 HB 0.01 -0.03 0.01 -0.04 4.32 4.28 1a5uG1 THR 4259 HG23 0.02 0.05 -0.07 -0.04 1.22 1.18 1a5uG1 LEU 4260 H 0.03 0.66 -0.20 -0.55 8.37 8.31 1a5uG1 LEU 4260 HA 0.04 0.01 0.35 -0.75 4.35 3.99 1a5uG1 LEU 4260 HB2 0.04 0.05 0.08 -0.04 1.64 1.76 1a5uG1 LEU 4260 HB3 0.05 -0.02 -0.04 -0.04 1.64 1.59 1a5uG1 LEU 4260 HG 0.02 0.19 -0.03 -0.04 1.64 1.78 1a5uG1 LEU 4260 HD13 0.02 -0.06 -0.25 -0.04 0.93 0.60 1a5uG1 LEU 4260 HD23 0.03 -0.06 -0.03 -0.04 0.89 0.80 1a5uG1 LYS 4261 H 0.06 0.43 -0.20 -0.55 8.42 8.16 1a5uG1 LYS 4261 HA 0.22 0.09 0.37 -0.75 4.32 4.24 1a5uG1 LYS 4261 HB2 0.10 0.05 0.06 -0.04 1.87 2.05 1a5uG1 LYS 4261 HB3 0.25 0.02 0.10 -0.04 1.79 2.12 1a5uG1 LYS 4261 HG2 0.07 -0.04 0.15 -0.04 1.46 1.60 1a5uG1 LYS 4261 HG3 0.04 0.43 0.30 -0.04 1.46 2.19 1a5uG1 LYS 4261 HD2 -0.01 -0.06 0.04 -0.04 1.69 1.62 1a5uG1 LYS 4261 HD3 -0.12 0.03 0.04 -0.04 1.68 1.59 1a5uG1 LYS 4261 HE2 -0.04 0.01 -0.01 -0.04 2.99 2.91 1a5uG1 LYS 4261 HE3 -0.02 -0.12 -0.12 -0.04 2.99 2.69 1a5uG1 GLU 4262 H 0.06 0.28 -0.54 -0.55 8.60 7.85 1a5uG1 GLU 4262 HA 0.05 0.06 0.47 -0.75 4.29 4.12 1a5uG1 GLU 4262 HB2 0.03 0.18 0.20 -0.04 2.09 2.46 1a5uG1 GLU 4262 HB3 0.03 -0.09 0.05 -0.04 1.99 1.94 1a5uG1 GLU 4262 HG2 0.04 0.10 0.04 -0.04 2.34 2.48 1a5uG1 GLU 4262 HG3 0.03 -0.07 0.03 -0.04 2.34 2.29 1a5uG1 MET 4263 H 0.04 0.35 -0.22 -0.55 8.47 8.09 1a5uG1 MET 4263 HA 0.01 -0.02 0.44 -0.75 4.52 4.20 1a5uG1 MET 4263 HB2 0.02 0.16 0.08 -0.04 2.15 2.37 1a5uG1 MET 4263 HB3 0.01 -0.11 -0.01 -0.04 2.03 1.88 1a5uG1 MET 4263 HG2 0.03 0.31 -0.01 -0.04 2.63 2.92 1a5uG1 MET 4263 HG3 0.03 -0.02 -0.04 -0.04 2.56 2.48 1a5uG1 MET 4263 HE3 0.03 -0.01 -0.12 -0.04 2.10 1.95 1a5uG1 ILE 4264 H 0.03 0.51 -0.08 -0.55 8.25 8.16 1a5uG1 ILE 4264 HA -0.04 0.15 0.41 -0.75 4.18 3.95 1a5uG1 ILE 4264 HB 0.04 0.04 0.19 -0.04 1.89 2.12 1a5uG1 ILE 4264 HG12 -0.01 0.09 -0.06 -0.04 1.49 1.47 1a5uG1 ILE 4264 HG13 0.04 -0.07 -0.05 -0.04 1.21 1.08 1a5uG1 ILE 4264 HG23 -0.22 0.04 -0.17 -0.04 0.93 0.53 1a5uG1 ILE 4264 HD13 0.14 -0.02 -0.16 -0.04 0.88 0.81 1a5uG1 LYS 4265 H -0.04 0.54 -0.00 -0.55 8.42 8.36 1a5uG1 LYS 4265 HA -0.17 0.05 0.36 -0.75 4.32 3.81 1a5uG1 LYS 4265 HB2 0.00 0.09 0.21 -0.04 1.87 2.13 1a5uG1 LYS 4265 HB3 -0.03 -0.01 -0.07 -0.04 1.79 1.63 1a5uG1 LYS 4265 HG2 -0.03 -0.03 0.02 -0.04 1.46 1.38 1a5uG1 LYS 4265 HG3 -0.14 0.02 0.07 -0.04 1.46 1.38 1a5uG1 LYS 4265 HD2 0.25 -0.02 -0.01 -0.04 1.69 1.87 1a5uG1 LYS 4265 HD3 0.10 0.01 -0.08 -0.04 1.68 1.67 1a5uG1 LYS 4265 HE2 0.05 -0.04 -0.02 -0.04 2.99 2.94 1a5uG1 LYS 4265 HE3 0.05 0.02 -0.01 -0.04 2.99 3.01 1a5uG1 SER 4266 H -0.04 0.32 -0.46 -0.55 8.46 7.73 1a5uG1 SER 4266 HA -0.08 -0.01 0.41 -0.75 4.49 4.05 1a5uG1 SER 4266 HB2 -0.02 -0.00 0.23 -0.04 3.95 4.12 1a5uG1 SER 4266 HB3 -0.02 -0.13 -0.00 -0.04 3.93 3.73 1a5uG1 GLY 4267 H -0.06 0.42 -0.21 -0.55 8.43 8.03 1a5uG1 GLY 4267 HA2 -0.05 0.08 0.25 -0.51 4.01 3.78 1a5uG1 GLY 4267 HA3 -0.04 0.07 0.85 -0.51 4.01 4.37 1a5uG1 MET 4268 H -0.03 0.48 0.17 -0.55 8.47 8.53 1a5uG1 MET 4268 HA -0.04 0.03 0.45 -0.75 4.52 4.21 1a5uG1 MET 4268 HB2 -0.01 -0.11 0.03 -0.04 2.15 2.02 1a5uG1 MET 4268 HB3 -0.01 -0.00 -0.12 -0.04 2.03 1.86 1a5uG1 MET 4268 HG2 -0.04 0.12 -0.64 -0.04 2.63 2.04 1a5uG1 MET 4268 HG3 -0.02 -0.03 -0.12 -0.04 2.56 2.35 1a5uG1 MET 4268 HE3 0.03 -0.03 -0.04 -0.04 2.10 2.02 1a5uG1 ASN 4269 H -0.10 0.18 0.46 -0.55 8.53 8.51 1a5uG1 ASN 4269 HA -0.32 0.30 0.93 -0.75 4.76 4.92 1a5uG1 ASN 4269 HB2 -0.32 -0.12 0.04 -0.04 2.88 2.44 1a5uG1 ASN 4269 HB3 -1.40 0.04 0.13 -0.04 2.79 1.51 1a5uG1 ASN 4269 HD21 -0.12 0.07 -0.04 -0.04 7.03 6.90 1a5uG1 ASN 4269 HD22 -0.38 0.03 0.02 -0.04 7.74 7.37 1a5uG1 VAL 4270 H -0.07 0.18 0.37 -0.55 8.24 8.17 1a5uG1 VAL 4270 HA 0.02 0.25 0.76 -0.75 4.13 4.40 1a5uG1 VAL 4270 HB 0.06 -0.11 -0.11 -0.04 2.12 1.92 1a5uG1 VAL 4270 HG13 0.11 -0.03 -0.36 -0.04 0.97 0.65 1a5uG1 VAL 4270 HG23 0.05 0.04 -0.29 -0.04 0.95 0.70 1a5uG1 ALA 4271 H 0.03 0.51 0.13 -0.55 8.40 8.52 1a5uG1 ALA 4271 HA 0.05 0.34 0.92 -0.75 4.34 4.89 1a5uG1 ALA 4271 HB3 0.04 0.02 0.05 -0.04 1.41 1.48 1a5uG1 ARG 4272 H 0.08 0.53 -0.01 -0.55 8.46 8.51 1a5uG1 ARG 4272 HA -0.00 0.25 0.92 -0.75 4.34 4.76 1a5uG1 ARG 4272 HB2 0.31 0.05 -0.26 -0.04 1.90 1.96 1a5uG1 ARG 4272 HB3 0.15 -0.02 -0.26 -0.04 1.80 1.63 1a5uG1 ARG 4272 HG2 0.15 -0.10 -0.23 -0.04 1.67 1.45 1a5uG1 ARG 4272 HG3 0.15 0.04 -0.44 -0.04 1.67 1.38 1a5uG1 ARG 4272 HD2 0.59 0.07 -0.25 -0.04 3.22 3.59 1a5uG1 ARG 4272 HD3 0.21 -0.03 -0.20 -0.04 3.22 3.16 1a5uG1 MET 4273 H -0.01 0.60 0.23 -0.55 8.47 8.74 1a5uG1 MET 4273 HA 0.06 0.20 1.00 -0.75 4.52 5.02 1a5uG1 MET 4273 HB2 0.04 0.08 0.19 -0.04 2.15 2.42 1a5uG1 MET 4273 HB3 -0.61 -0.04 0.00 -0.04 2.03 1.35 1a5uG1 MET 4273 HG2 0.16 0.00 0.01 -0.04 2.63 2.76 1a5uG1 MET 4273 HG3 0.16 0.09 0.03 -0.04 2.56 2.80 1a5uG1 MET 4273 HE3 0.08 0.00 -0.17 -0.04 2.10 1.96 1a5uG1 ASN 4274 H 0.15 0.27 0.06 -0.55 8.53 8.46 1a5uG1 ASN 4274 HA 0.18 0.05 0.69 -0.75 4.76 4.93 1a5uG1 ASN 4274 HB2 0.20 0.02 0.02 -0.04 2.88 3.08 1a5uG1 ASN 4274 HB3 0.32 0.04 0.12 -0.04 2.79 3.23 1a5uG1 ASN 4274 HD21 0.16 0.01 -0.07 -0.04 7.03 7.09 1a5uG1 ASN 4274 HD22 0.22 -0.02 -0.06 -0.04 7.74 7.84 1a5uG1 PHE 4275 H 0.36 0.83 0.34 -0.55 8.34 9.31 1a5uG1 PHE 4275 HA 0.23 0.21 0.48 -0.75 4.62 4.79 1a5uG1 PHE 4275 HB2 0.06 0.26 0.22 -0.04 3.15 3.65 1a5uG1 PHE 4275 HB3 0.12 -0.11 0.14 -0.04 3.06 3.17 1a5uG1 PHE 4275 HD2 0.03 0.03 -0.08 -0.04 7.28 7.21 1a5uG1 PHE 4275 HE2 -0.31 -0.00 -0.04 -0.04 7.38 6.98 1a5uG1 PHE 4275 HZ 0.58 0.03 -0.07 -0.04 7.32 7.82 1a5uG1 SER 4276 H 0.14 -0.06 -0.73 -0.55 8.46 7.26 1a5uG1 SER 4276 HA 0.01 0.09 0.52 -0.75 4.49 4.35 1a5uG1 SER 4276 HB2 -0.04 -0.07 -0.06 -0.04 3.95 3.74 1a5uG1 SER 4276 HB3 -0.24 0.03 0.02 -0.04 3.93 3.70 1a5uG1 HIS 4277 H 0.10 0.48 -0.33 -0.55 8.41 8.12 1a5uG1 HIS 4277 HA -0.01 0.14 0.70 -0.75 4.63 4.71 1a5uG1 HIS 4277 HB2 0.04 0.00 -0.00 -0.04 3.26 3.27 1a5uG1 HIS 4277 HB3 -0.08 -0.08 0.12 -0.04 3.20 3.12 1a5uG1 HIS 4277 HD2 0.01 -0.02 0.08 -0.04 6.97 6.99 1a5uG1 HIS 4277 HE1 0.06 -0.15 -0.03 -0.04 7.75 7.59 1a5uG1 GLY 4278 H -0.13 0.08 0.11 -0.55 8.43 7.94 1a5uG1 GLY 4278 HA2 -0.52 -0.02 0.35 -0.51 4.01 3.32 1a5uG1 GLY 4278 HA3 -0.62 0.06 0.41 -0.51 4.01 3.34 1a5uG1 THR 4279 H -0.26 0.11 0.27 -0.55 8.28 7.85 1a5uG1 THR 4279 HA -0.17 0.30 0.83 -0.75 4.39 4.60 1a5uG1 THR 4279 HB -0.11 -0.02 0.12 -0.04 4.32 4.27 1a5uG1 THR 4279 HG23 -0.11 0.04 -0.14 -0.04 1.22 0.98 1a5uG1 HIS 4280 H -0.21 0.26 0.15 -0.55 8.41 8.07 1a5uG1 HIS 4280 HA -0.53 0.11 0.36 -0.75 4.63 3.81 1a5uG1 HIS 4280 HB2 -0.28 -0.02 0.13 -0.04 3.26 3.04 1a5uG1 HIS 4280 HB3 -0.92 0.10 0.03 -0.04 3.20 2.36 1a5uG1 HIS 4280 HD2 -0.14 -0.05 -0.04 -0.04 6.97 6.69 1a5uG1 HIS 4280 HE1 0.06 0.08 -0.23 -0.04 7.75 7.61 1a5uG1 GLU 4281 H -0.02 0.04 -0.30 -0.55 8.60 7.78 1a5uG1 GLU 4281 HA 0.09 0.15 0.39 -0.75 4.29 4.17 1a5uG1 GLU 4281 HB2 0.03 0.05 0.05 -0.04 2.09 2.18 1a5uG1 GLU 4281 HB3 0.01 -0.07 0.04 -0.04 1.99 1.94 1a5uG1 GLU 4281 HG2 0.04 0.01 -0.20 -0.04 2.34 2.15 1a5uG1 GLU 4281 HG3 0.04 0.05 0.02 -0.04 2.34 2.41 1a5uG1 TYR 4282 H 0.04 0.12 -0.25 -0.55 8.29 7.65 1a5uG1 TYR 4282 HA -0.07 0.10 0.44 -0.75 4.56 4.27 1a5uG1 TYR 4282 HB2 -0.19 -0.10 0.20 -0.04 3.06 2.93 1a5uG1 TYR 4282 HB3 -0.49 0.07 0.28 -0.04 2.98 2.80 1a5uG1 TYR 4282 HD2 -0.33 0.03 -0.05 -0.04 7.15 6.76 1a5uG1 TYR 4282 HE2 -0.03 0.04 -0.01 -0.04 6.85 6.81 1a5uG1 HIS 4283 H -0.07 0.58 0.05 -0.55 8.41 8.42 1a5uG1 HIS 4283 HA 0.07 0.02 0.39 -0.75 4.63 4.36 1a5uG1 HIS 4283 HB2 -0.11 0.01 0.07 -0.04 3.26 3.19 1a5uG1 HIS 4283 HB3 0.26 0.05 -0.03 -0.04 3.20 3.44 1a5uG1 HIS 4283 HD2 -1.57 -0.03 -0.22 -0.04 6.97 5.10 1a5uG1 HIS 4283 HE1 0.15 -0.00 -0.04 -0.04 7.75 7.81 1a5uG1 ALA 4284 H 0.33 0.61 -0.11 -0.55 8.40 8.67 1a5uG1 ALA 4284 HA 0.25 0.06 0.34 -0.75 4.34 4.24 1a5uG1 ALA 4284 HB3 0.31 0.04 0.07 -0.04 1.41 1.78 1a5uG1 GLU 4285 H 0.06 0.33 -0.38 -0.55 8.60 8.06 1a5uG1 GLU 4285 HA 0.02 0.07 0.56 -0.75 4.29 4.18 1a5uG1 GLU 4285 HB2 -0.01 0.05 0.13 -0.04 2.09 2.22 1a5uG1 GLU 4285 HB3 -0.10 0.05 0.11 -0.04 1.99 2.00 1a5uG1 GLU 4285 HG2 -0.04 -0.02 -0.03 -0.04 2.34 2.22 1a5uG1 GLU 4285 HG3 -0.01 -0.01 0.08 -0.04 2.34 2.36 1a5uG1 THR 4286 H -0.04 0.49 -0.04 -0.55 8.28 8.13 1a5uG1 THR 4286 HA -0.06 0.06 0.42 -0.75 4.39 4.06 1a5uG1 THR 4286 HB 0.11 0.08 0.17 -0.04 4.32 4.65 1a5uG1 THR 4286 HG23 0.05 -0.00 -0.14 -0.04 1.22 1.08 1a5uG1 ILE 4287 H 0.10 0.84 -0.02 -0.55 8.25 8.62 1a5uG1 ILE 4287 HA 0.05 -0.02 0.26 -0.75 4.18 3.72 1a5uG1 ILE 4287 HB 0.10 0.06 0.14 -0.04 1.89 2.14 1a5uG1 ILE 4287 HG12 0.06 -0.02 -0.00 -0.04 1.49 1.49 1a5uG1 ILE 4287 HG13 0.13 -0.00 0.03 -0.04 1.21 1.33 1a5uG1 ILE 4287 HG23 0.02 0.02 -0.21 -0.04 0.93 0.72 1a5uG1 ILE 4287 HD13 0.12 -0.02 -0.13 -0.04 0.88 0.82 1a5uG1 LYS 4288 H 0.04 0.54 -0.20 -0.55 8.42 8.24 1a5uG1 LYS 4288 HA 0.03 0.02 0.42 -0.75 4.32 4.03 1a5uG1 LYS 4288 HB2 0.03 -0.01 0.15 -0.04 1.87 2.00 1a5uG1 LYS 4288 HB3 0.02 0.08 0.26 -0.04 1.79 2.11 1a5uG1 LYS 4288 HG2 0.01 -0.00 -0.41 -0.04 1.46 1.02 1a5uG1 LYS 4288 HG3 0.02 -0.03 0.05 -0.04 1.46 1.46 1a5uG1 LYS 4288 HD2 0.02 -0.02 0.01 -0.04 1.69 1.66 1a5uG1 LYS 4288 HD3 0.01 -0.01 0.01 -0.04 1.68 1.65 1a5uG1 LYS 4288 HE2 0.01 -0.01 -0.04 -0.04 2.99 2.92 1a5uG1 LYS 4288 HE3 0.01 -0.00 -0.01 -0.04 2.99 2.95 1a5uG1 ASN 4289 H 0.01 0.61 -0.22 -0.55 8.53 8.39 1a5uG1 ASN 4289 HA 0.01 -0.05 0.48 -0.75 4.76 4.46 1a5uG1 ASN 4289 HB2 0.00 0.21 0.18 -0.04 2.88 3.23 1a5uG1 ASN 4289 HB3 0.01 -0.19 0.03 -0.04 2.79 2.59 1a5uG1 ASN 4289 HD21 -0.04 -0.12 -0.03 -0.04 7.03 6.80 1a5uG1 ASN 4289 HD22 -0.04 0.22 0.05 -0.04 7.74 7.94 1a5uG1 VAL 4290 H 0.03 0.61 -0.02 -0.55 8.24 8.32 1a5uG1 VAL 4290 HA 0.05 0.01 0.43 -0.75 4.13 3.86 1a5uG1 VAL 4290 HB 0.04 0.18 0.15 -0.04 2.12 2.45 1a5uG1 VAL 4290 HG13 0.05 0.00 -0.20 -0.04 0.97 0.78 1a5uG1 VAL 4290 HG23 0.04 0.01 -0.06 -0.04 0.95 0.90 1a5uG1 ARG 4291 H 0.04 0.58 -0.20 -0.55 8.46 8.33 1a5uG1 ARG 4291 HA 0.07 0.02 0.35 -0.75 4.34 4.02 1a5uG1 ARG 4291 HB2 0.04 0.11 0.14 -0.04 1.90 2.14 1a5uG1 ARG 4291 HB3 0.05 -0.06 0.05 -0.04 1.80 1.80 1a5uG1 ARG 4291 HG2 0.05 -0.03 0.00 -0.04 1.67 1.65 1a5uG1 ARG 4291 HG3 0.04 0.25 0.06 -0.04 1.67 1.98 1a5uG1 ARG 4291 HD2 0.02 -0.03 -0.03 -0.04 3.22 3.14 1a5uG1 ARG 4291 HD3 0.03 -0.05 0.00 -0.04 3.22 3.17 1a5uG1 THR 4292 H 0.04 0.39 -0.23 -0.55 8.28 7.93 1a5uG1 THR 4292 HA 0.03 -0.00 0.38 -0.75 4.39 4.04 1a5uG1 THR 4292 HB 0.02 0.09 0.29 -0.04 4.32 4.68 1a5uG1 THR 4292 HG23 0.00 -0.03 -0.02 -0.04 1.22 1.14 1a5uG1 ALA 4293 H 0.04 0.75 -0.03 -0.55 8.40 8.62 1a5uG1 ALA 4293 HA 0.03 -0.04 0.34 -0.75 4.34 3.92 1a5uG1 ALA 4293 HB3 0.07 0.02 0.11 -0.04 1.41 1.58 1a5uG1 THR 4294 H 0.11 0.76 -0.05 -0.55 8.28 8.54 1a5uG1 THR 4294 HA 0.22 0.06 0.45 -0.75 4.39 4.37 1a5uG1 THR 4294 HB 0.13 0.00 0.20 -0.04 4.32 4.61 1a5uG1 THR 4294 HG23 0.19 0.02 -0.11 -0.04 1.22 1.27 1a5uG1 GLU 4295 H 0.14 0.79 0.03 -0.55 8.60 9.02 1a5uG1 GLU 4295 HA 0.24 -0.05 0.38 -0.75 4.29 4.10 1a5uG1 GLU 4295 HB2 0.06 0.15 0.08 -0.04 2.09 2.34 1a5uG1 GLU 4295 HB3 0.04 -0.11 0.08 -0.04 1.99 1.96 1a5uG1 GLU 4295 HG2 0.11 0.19 0.13 -0.04 2.34 2.72 1a5uG1 GLU 4295 HG3 0.06 -0.09 0.02 -0.04 2.34 2.29 1a5uG1 SER 4296 H 0.06 0.31 -0.86 -0.55 8.46 7.42 1a5uG1 SER 4296 HA -0.11 -0.06 0.40 -0.75 4.49 3.97 1a5uG1 SER 4296 HB2 -0.19 -0.16 0.10 -0.04 3.95 3.66 1a5uG1 SER 4296 HB3 -0.12 0.39 0.26 -0.04 3.93 4.42 1a5uG1 PHE 4297 H 0.26 0.59 -0.23 -0.55 8.34 8.41 1a5uG1 PHE 4297 HA 0.08 0.12 0.73 -0.75 4.62 4.79 1a5uG1 PHE 4297 HB2 0.19 0.09 0.09 -0.04 3.15 3.47 1a5uG1 PHE 4297 HB3 0.13 0.03 0.04 -0.04 3.06 3.23 1a5uG1 PHE 4297 HD2 0.05 0.08 0.10 -0.04 7.28 7.47 1a5uG1 PHE 4297 HE2 0.02 -0.05 0.04 -0.04 7.38 7.35 1a5uG1 PHE 4297 HZ 0.01 -0.05 0.02 -0.04 7.32 7.25 1a5uG1 ALA 4298 H 0.21 0.37 -0.15 -0.55 8.40 8.27 1a5uG1 ALA 4298 HA -0.23 0.07 0.30 -0.75 4.34 3.73 1a5uG1 ALA 4298 HB3 -0.37 0.02 0.05 -0.04 1.41 1.06 1a5uG1 SER 4299 H 0.03 0.20 -0.65 -0.55 8.46 7.50 1a5uG1 SER 4299 HA -0.01 -0.01 0.32 -0.75 4.49 4.03 1a5uG1 SER 4299 HB2 -0.00 -0.07 0.04 -0.04 3.95 3.88 1a5uG1 SER 4299 HB3 -0.02 0.04 0.07 -0.04 3.93 3.99 1a5uG1 ASP 4300 H 0.09 0.50 -0.49 -0.55 8.40 7.96 1a5uG1 ASP 4300 HA 0.03 0.15 0.82 -0.75 4.63 4.87 1a5uG1 ASP 4300 HB2 0.05 0.02 -0.10 -0.04 2.71 2.64 1a5uG1 ASP 4300 HB3 0.10 0.10 0.08 -0.04 2.70 2.95 1a5uG1 PRO 4301 HA 0.06 0.13 0.41 -0.51 4.44 4.52 1a5uG1 PRO 4301 HB2 0.02 0.04 -0.06 -0.04 2.28 2.24 1a5uG1 PRO 4301 HB3 -0.00 0.02 0.13 -0.04 2.02 2.12 1a5uG1 PRO 4301 HG2 0.01 0.00 0.07 -0.04 2.03 2.07 1a5uG1 PRO 4301 HG3 -0.00 0.03 0.09 -0.04 2.03 2.11 1a5uG1 PRO 4301 HD2 0.02 0.04 0.22 -0.04 3.68 3.93 1a5uG1 PRO 4301 HD3 0.00 0.33 0.19 -0.04 3.65 4.13 1a5uG1 ILE 4302 H 0.04 0.05 -0.22 -0.55 8.25 7.56 1a5uG1 ILE 4302 HA 0.02 0.19 0.72 -0.75 4.18 4.36 1a5uG1 ILE 4302 HB -0.00 -0.01 -0.01 -0.04 1.89 1.82 1a5uG1 ILE 4302 HG12 0.01 -0.12 -0.05 -0.04 1.49 1.30 1a5uG1 ILE 4302 HG13 0.00 -0.01 -0.02 -0.04 1.21 1.15 1a5uG1 ILE 4302 HG23 -0.03 0.00 -0.18 -0.04 0.93 0.68 1a5uG1 ILE 4302 HD13 0.01 -0.00 -0.08 -0.04 0.88 0.77 1a5uG1 LEU 4303 H 0.07 0.05 -0.24 -0.55 8.37 7.70 1a5uG1 LEU 4303 HA -0.03 0.20 0.65 -0.75 4.35 4.42 1a5uG1 LEU 4303 HB2 0.06 -0.15 0.04 -0.04 1.64 1.55 1a5uG1 LEU 4303 HB3 0.10 0.04 0.01 -0.04 1.64 1.75 1a5uG1 LEU 4303 HG 0.02 -0.07 -0.00 -0.04 1.64 1.55 1a5uG1 LEU 4303 HD13 -0.04 0.01 0.06 -0.04 0.93 0.92 1a5uG1 LEU 4303 HD23 -0.05 0.03 -0.12 -0.04 0.89 0.71 1a5uG1 TYR 4304 H 0.18 0.03 -0.21 -0.55 8.29 7.73 1a5uG1 TYR 4304 HA 0.07 0.03 0.57 -0.75 4.56 4.47 1a5uG1 TYR 4304 HB2 0.07 0.12 -0.11 -0.04 3.06 3.10 1a5uG1 TYR 4304 HB3 0.03 -0.02 0.06 -0.04 2.98 3.01 1a5uG1 TYR 4304 HD2 0.09 -0.03 -0.27 -0.04 7.15 6.89 1a5uG1 TYR 4304 HE2 0.05 -0.02 -0.19 -0.04 6.85 6.64 1a5uG1 ARG 4305 H -0.45 0.12 0.10 -0.55 8.46 7.68 1a5uG1 ARG 4305 HA -0.22 0.34 1.10 -0.75 4.34 4.80 1a5uG1 ARG 4305 HB2 -0.20 -0.08 0.05 -0.04 1.90 1.62 1a5uG1 ARG 4305 HB3 -0.05 0.11 -0.03 -0.04 1.80 1.79 1a5uG1 ARG 4305 HG2 -0.03 0.06 -0.21 -0.04 1.67 1.45 1a5uG1 ARG 4305 HG3 -0.16 -0.01 -0.43 -0.04 1.67 1.04 1a5uG1 ARG 4305 HD2 -0.23 -0.08 -0.09 -0.04 3.22 2.78 1a5uG1 ARG 4305 HD3 -0.06 0.07 -0.07 -0.04 3.22 3.12 1a5uG1 PRO 4306 HA -0.13 -0.05 0.44 -0.51 4.44 4.20 1a5uG1 PRO 4306 HB2 -0.01 0.11 -0.15 -0.04 2.28 2.19 1a5uG1 PRO 4306 HB3 0.04 -0.11 -0.09 -0.04 2.02 1.82 1a5uG1 PRO 4306 HG2 -0.03 0.17 -0.04 -0.04 2.03 2.10 1a5uG1 PRO 4306 HG3 0.05 -0.13 -0.07 -0.04 2.03 1.84 1a5uG1 PRO 4306 HD2 -0.08 0.35 0.28 -0.04 3.68 4.18 1a5uG1 PRO 4306 HD3 -0.45 0.05 -0.22 -0.04 3.65 2.99 1a5uG1 VAL 4307 H 0.07 0.09 0.16 -0.55 8.24 8.00 1a5uG1 VAL 4307 HA 0.10 0.42 1.01 -0.75 4.13 4.90 1a5uG1 VAL 4307 HB 0.05 -0.11 0.03 -0.04 2.12 2.05 1a5uG1 VAL 4307 HG13 0.02 -0.01 -0.31 -0.04 0.97 0.63 1a5uG1 VAL 4307 HG23 -0.02 0.08 -0.27 -0.04 0.95 0.69 1a5uG1 ALA 4308 H 0.12 0.63 0.34 -0.55 8.40 8.94 1a5uG1 ALA 4308 HA 0.07 0.05 0.64 -0.75 4.34 4.35 1a5uG1 ALA 4308 HB3 0.11 0.05 0.01 -0.04 1.41 1.54 1a5uG1 VAL 4309 H 0.01 0.14 0.18 -0.55 8.24 8.03 1a5uG1 VAL 4309 HA -0.01 0.20 0.92 -0.75 4.13 4.48 1a5uG1 VAL 4309 HB -0.02 -0.11 0.24 -0.04 2.12 2.19 1a5uG1 VAL 4309 HG13 -0.01 0.01 -0.09 -0.04 0.97 0.83 1a5uG1 VAL 4309 HG23 0.02 0.05 -0.12 -0.04 0.95 0.86 1a5uG1 ALA 4310 H -0.10 0.56 0.26 -0.55 8.40 8.57 1a5uG1 ALA 4310 HA -0.32 0.32 1.01 -0.75 4.34 4.60 1a5uG1 ALA 4310 HB3 -0.88 -0.02 -0.17 -0.04 1.41 0.29 1a5uG1 LEU 4311 H -0.38 0.49 0.34 -0.55 8.37 8.27 1a5uG1 LEU 4311 HA -0.13 0.20 1.03 -0.75 4.35 4.69 1a5uG1 LEU 4311 HB2 -0.22 0.07 0.01 -0.04 1.64 1.45 1a5uG1 LEU 4311 HB3 -0.24 -0.04 0.09 -0.04 1.64 1.41 1a5uG1 LEU 4311 HG -0.59 0.04 0.04 -0.04 1.64 1.09 1a5uG1 LEU 4311 HD13 -0.55 0.01 -0.06 -0.04 0.93 0.29 1a5uG1 LEU 4311 HD23 -0.57 -0.03 -0.40 -0.04 0.89 -0.16 1a5uG1 ASP 4312 H 0.03 0.85 0.36 -0.55 8.40 9.10 1a5uG1 ASP 4312 HA 0.07 0.25 1.05 -0.75 4.63 5.25 1a5uG1 ASP 4312 HB2 0.18 -0.00 -0.14 -0.04 2.71 2.71 1a5uG1 ASP 4312 HB3 0.16 -0.18 0.12 -0.04 2.70 2.75 1a5uG1 THR 4313 H 0.08 0.67 0.31 -0.55 8.28 8.79 1a5uG1 THR 4313 HA 0.05 0.05 0.55 -0.75 4.39 4.29 1a5uG1 THR 4313 HB 0.06 0.29 0.37 -0.04 4.32 5.00 1a5uG1 THR 4313 HG23 0.08 -0.03 -0.21 -0.04 1.22 1.02 1a5uG1 LYS 4314 H 0.11 0.09 0.10 -0.55 8.42 8.17 1a5uG1 LYS 4314 HA 0.11 0.10 0.44 -0.75 4.32 4.22 1a5uG1 LYS 4314 HB2 0.09 -0.13 0.12 -0.04 1.87 1.90 1a5uG1 LYS 4314 HB3 0.07 0.06 -0.01 -0.04 1.79 1.86 1a5uG1 LYS 4314 HG2 0.11 0.08 -0.27 -0.04 1.46 1.34 1a5uG1 LYS 4314 HG3 0.18 -0.09 -0.09 -0.04 1.46 1.42 1a5uG1 LYS 4314 HD2 0.11 -0.17 -0.04 -0.04 1.69 1.54 1a5uG1 LYS 4314 HD3 0.07 0.00 -0.02 -0.04 1.68 1.69 1a5uG1 LYS 4314 HE2 0.08 0.00 0.00 -0.04 2.99 3.03 1a5uG1 LYS 4314 HE3 0.20 0.48 0.09 -0.04 2.99 3.72 1a5uG1 GLY 4315 H 0.08 -0.08 0.05 -0.55 8.43 7.93 1a5uG1 GLY 4315 HA2 0.08 0.12 0.29 -0.51 4.01 3.98 1a5uG1 GLY 4315 HA3 0.15 0.18 0.32 -0.51 4.01 4.14 1a5uG1 PRO 4316 HA -0.05 0.05 0.34 -0.51 4.44 4.27 1a5uG1 PRO 4316 HB2 -0.19 -0.02 0.16 -0.04 2.28 2.19 1a5uG1 PRO 4316 HB3 -0.04 0.11 -0.18 -0.04 2.02 1.87 1a5uG1 PRO 4316 HG2 0.02 -0.02 0.01 -0.04 2.03 1.99 1a5uG1 PRO 4316 HG3 0.05 0.01 -0.00 -0.04 2.03 2.05 1a5uG1 PRO 4316 HD2 0.17 0.15 0.00 -0.04 3.68 3.96 1a5uG1 PRO 4316 HD3 0.07 0.31 0.16 -0.04 3.65 4.14 1a5uG1 GLU 4317 H -0.07 0.57 -0.15 -0.55 8.60 8.40 1a5uG1 GLU 4317 HA -0.39 0.23 0.94 -0.75 4.29 4.31 1a5uG1 GLU 4317 HB2 -0.05 -0.08 -0.04 -0.04 2.09 1.88 1a5uG1 GLU 4317 HB3 -0.05 0.04 -0.16 -0.04 1.99 1.78 1a5uG1 GLU 4317 HG2 0.02 0.16 -0.29 -0.04 2.34 2.20 1a5uG1 GLU 4317 HG3 -0.01 -0.09 -0.26 -0.04 2.34 1.94 1a5uG1 ILE 4318 H -0.15 0.24 0.15 -0.55 8.25 7.95 1a5uG1 ILE 4318 HA -0.07 0.14 0.94 -0.75 4.18 4.44 1a5uG1 ILE 4318 HB -0.12 0.10 0.22 -0.04 1.89 2.05 1a5uG1 ILE 4318 HG12 -0.26 -0.01 -0.09 -0.04 1.49 1.08 1a5uG1 ILE 4318 HG13 -0.30 0.04 -0.20 -0.04 1.21 0.70 1a5uG1 ILE 4318 HG23 -0.06 -0.03 -0.07 -0.04 0.93 0.74 1a5uG1 ILE 4318 HD13 -0.49 -0.00 -0.10 -0.04 0.88 0.25 1a5uG1 ARG 4319 H -0.05 0.14 0.05 -0.55 8.46 8.05 1a5uG1 ARG 4319 HA -0.01 0.33 1.04 -0.75 4.34 4.95 1a5uG1 ARG 4319 HB2 0.00 -0.03 -0.05 -0.04 1.90 1.78 1a5uG1 ARG 4319 HB3 0.02 0.15 -0.01 -0.04 1.80 1.91 1a5uG1 ARG 4319 HG2 0.00 -0.01 -0.29 -0.04 1.67 1.33 1a5uG1 ARG 4319 HG3 -0.01 -0.03 -0.19 -0.04 1.67 1.40 1a5uG1 ARG 4319 HD2 -0.06 0.14 -0.12 -0.04 3.22 3.13 1a5uG1 ARG 4319 HD3 0.02 -0.15 -0.61 -0.04 3.22 2.44 1a5uG1 THR 4320 H 0.03 0.15 0.12 -0.55 8.28 8.03 1a5uG1 THR 4320 HA -0.08 0.13 0.85 -0.75 4.39 4.54 1a5uG1 THR 4320 HB 0.05 0.05 0.23 -0.04 4.32 4.61 1a5uG1 THR 4320 HG23 0.10 -0.06 0.05 -0.04 1.22 1.28 1a5uG1 GLY 4321 H 0.26 0.53 0.33 -0.55 8.43 8.99 1a5uG1 GLY 4321 HA2 0.55 0.06 0.64 -0.51 4.01 4.75 1a5uG1 GLY 4321 HA3 0.85 0.21 0.46 -0.51 4.01 5.02 1a5uG1 LEU 4322 H 0.12 0.28 0.18 -0.55 8.37 8.41 1a5uG1 LEU 4322 HA 0.08 -0.00 0.52 -0.75 4.35 4.19 1a5uG1 LEU 4322 HB2 -0.00 -0.03 0.13 -0.04 1.64 1.69 1a5uG1 LEU 4322 HB3 0.01 -0.04 -0.21 -0.04 1.64 1.36 1a5uG1 LEU 4322 HG 0.02 0.01 -0.08 -0.04 1.64 1.56 1a5uG1 LEU 4322 HD13 -0.03 0.00 -0.25 -0.04 0.93 0.61 1a5uG1 LEU 4322 HD23 0.02 0.02 -0.40 -0.04 0.89 0.49 1a5uG1 ILE 4323 H 0.06 0.19 0.09 -0.55 8.25 8.04 1a5uG1 ILE 4323 HA 0.06 0.03 0.40 -0.75 4.18 3.91 1a5uG1 ILE 4323 HB 0.05 0.04 -0.12 -0.04 1.89 1.82 1a5uG1 ILE 4323 HG12 0.07 0.11 -0.44 -0.04 1.49 1.19 1a5uG1 ILE 4323 HG13 0.06 0.04 -0.48 -0.04 1.21 0.79 1a5uG1 ILE 4323 HG23 0.04 -0.01 -0.43 -0.04 0.93 0.50 1a5uG1 ILE 4323 HD13 0.06 -0.04 -0.33 -0.04 0.88 0.52 1a5uG1 LYS 4324 H 0.03 0.50 0.25 -0.55 8.42 8.65 1a5uG1 LYS 4324 HA 0.02 0.03 0.39 -0.75 4.32 4.00 1a5uG1 LYS 4324 HB2 0.02 -0.00 -0.09 -0.04 1.87 1.76 1a5uG1 LYS 4324 HB3 0.01 0.00 0.22 -0.04 1.79 1.98 1a5uG1 LYS 4324 HG2 0.01 -0.00 0.06 -0.04 1.46 1.49 1a5uG1 LYS 4324 HG3 0.02 0.16 0.08 -0.04 1.46 1.68 1a5uG1 LYS 4324 HD2 0.02 -0.02 -0.04 -0.04 1.69 1.60 1a5uG1 LYS 4324 HD3 0.01 0.01 0.01 -0.04 1.68 1.67 1a5uG1 LYS 4324 HE2 0.01 0.02 0.02 -0.04 2.99 2.99 1a5uG1 LYS 4324 HE3 0.00 -0.05 0.03 -0.04 2.99 2.93 1a5uG1 GLY 4325 H 0.01 0.13 -0.53 -0.55 8.43 7.49 1a5uG1 GLY 4325 HA2 -0.02 -0.09 0.30 -0.51 4.01 3.69 1a5uG1 GLY 4325 HA3 -0.01 0.04 0.40 -0.51 4.01 3.93 1a5uG1 SER 4326 H 0.01 0.56 -0.18 -0.55 8.46 8.30 1a5uG1 SER 4326 HA -0.01 0.27 1.11 -0.75 4.49 5.11 1a5uG1 SER 4326 HB2 -0.00 0.16 -0.00 -0.04 3.95 4.06 1a5uG1 SER 4326 HB3 0.00 -0.10 0.10 -0.04 3.93 3.89 1a5uG1 GLY 4327 H -0.04 0.24 0.13 -0.55 8.43 8.21 1a5uG1 GLY 4327 HA2 -0.00 0.10 0.64 -0.51 4.01 4.23 1a5uG1 GLY 4327 HA3 -0.07 0.02 0.37 -0.51 4.01 3.83 1a5uG1 THR 4328 H -0.01 -0.09 -0.60 -0.55 8.28 7.02 1a5uG1 THR 4328 HA -0.03 0.21 0.84 -0.75 4.39 4.66 1a5uG1 THR 4328 HB -0.01 0.07 0.10 -0.04 4.32 4.45 1a5uG1 THR 4328 HG23 -0.02 -0.02 -0.12 -0.04 1.22 1.03 1a5uG1 ALA 4329 H 0.01 0.06 -0.12 -0.55 8.40 7.80 1a5uG1 ALA 4329 HA 0.02 0.13 0.60 -0.75 4.34 4.34 1a5uG1 ALA 4329 HB3 0.02 0.06 0.08 -0.04 1.41 1.53 1a5uG1 GLU 4330 H 0.06 0.25 0.23 -0.55 8.60 8.58 1a5uG1 GLU 4330 HA 0.08 0.24 0.81 -0.75 4.29 4.67 1a5uG1 GLU 4330 HB2 0.25 -0.10 -0.11 -0.04 2.09 2.09 1a5uG1 GLU 4330 HB3 0.12 0.05 -0.02 -0.04 1.99 2.10 1a5uG1 GLU 4330 HG2 0.04 0.08 -0.53 -0.04 2.34 1.89 1a5uG1 GLU 4330 HG3 0.07 -0.03 -0.04 -0.04 2.34 2.30 1a5uG1 VAL 4331 H 0.10 0.67 0.32 -0.55 8.24 8.78 1a5uG1 VAL 4331 HA 0.02 0.15 0.76 -0.75 4.13 4.31 1a5uG1 VAL 4331 HB -0.02 0.03 0.07 -0.04 2.12 2.16 1a5uG1 VAL 4331 HG13 0.02 0.00 -0.21 -0.04 0.97 0.75 1a5uG1 VAL 4331 HG23 0.01 -0.06 -0.10 -0.04 0.95 0.76 1a5uG1 GLU 4332 H -0.20 0.20 0.13 -0.55 8.60 8.18 1a5uG1 GLU 4332 HA -0.45 -0.02 0.73 -0.75 4.29 3.78 1a5uG1 GLU 4332 HB2 -1.85 -0.03 0.03 -0.04 2.09 0.20 1a5uG1 GLU 4332 HB3 -0.50 0.01 0.13 -0.04 1.99 1.58 1a5uG1 GLU 4332 HG2 -0.40 0.43 -0.38 -0.04 2.34 1.95 1a5uG1 GLU 4332 HG3 -1.09 -0.14 -0.12 -0.04 2.34 0.95 1a5uG1 LEU 4333 H -0.12 0.52 0.31 -0.55 8.37 8.54 1a5uG1 LEU 4333 HA -0.07 0.08 0.49 -0.75 4.35 4.09 1a5uG1 LEU 4333 HB2 -0.02 0.13 0.11 -0.04 1.64 1.82 1a5uG1 LEU 4333 HB3 -0.03 -0.05 0.08 -0.04 1.64 1.60 1a5uG1 LEU 4333 HG -0.00 0.06 0.04 -0.04 1.64 1.70 1a5uG1 LEU 4333 HD13 0.00 -0.01 -0.12 -0.04 0.93 0.76 1a5uG1 LEU 4333 HD23 -0.03 -0.04 -0.25 -0.04 0.89 0.53 1a5uG1 LYS 4334 H -0.04 0.23 0.17 -0.55 8.42 8.22 1a5uG1 LYS 4334 HA -0.04 0.04 0.88 -0.75 4.32 4.44 1a5uG1 LYS 4334 HB2 -0.04 0.02 0.05 -0.04 1.87 1.86 1a5uG1 LYS 4334 HB3 -0.04 0.00 0.09 -0.04 1.79 1.80 1a5uG1 LYS 4334 HG2 -0.09 -0.02 -0.92 -0.04 1.46 0.39 1a5uG1 LYS 4334 HG3 -0.06 -0.01 -0.04 -0.04 1.46 1.32 1a5uG1 LYS 4334 HD2 -0.05 -0.02 -0.02 -0.04 1.69 1.56 1a5uG1 LYS 4334 HD3 -0.09 -0.00 -0.08 -0.04 1.68 1.47 1a5uG1 LYS 4334 HE2 -0.11 0.17 -0.00 -0.04 2.99 3.01 1a5uG1 LYS 4334 HE3 -0.06 -0.03 -0.00 -0.04 2.99 2.85 1a5uG1 LYS 4335 H -0.01 0.05 0.04 -0.55 8.42 7.95 1a5uG1 LYS 4335 HA -0.01 0.26 0.12 -0.75 4.32 3.93 1a5uG1 LYS 4335 HB2 0.00 -0.08 -0.07 -0.04 1.87 1.68 1a5uG1 LYS 4335 HB3 -0.00 -0.06 0.07 -0.04 1.79 1.76 1a5uG1 LYS 4335 HG2 -0.00 0.02 -0.31 -0.04 1.46 1.12 1a5uG1 LYS 4335 HG3 0.00 0.16 0.05 -0.04 1.46 1.63 1a5uG1 LYS 4335 HD2 0.01 -0.01 0.05 -0.04 1.69 1.70 1a5uG1 LYS 4335 HD3 0.00 -0.06 -0.02 -0.04 1.68 1.57 1a5uG1 LYS 4335 HE2 0.00 -0.00 0.01 -0.04 2.99 2.96 1a5uG1 LYS 4335 HE3 0.01 0.03 0.05 -0.04 2.99 3.03 1a5uG1 GLY 4336 H -0.01 0.79 0.33 -0.55 8.43 8.99 1a5uG1 GLY 4336 HA2 -0.01 -0.04 0.33 -0.51 4.01 3.78 1a5uG1 GLY 4336 HA3 -0.01 0.02 0.47 -0.51 4.01 3.99 1a5uG1 ALA 4337 H -0.01 0.38 -0.64 -0.55 8.40 7.58 1a5uG1 ALA 4337 HA -0.02 0.06 0.51 -0.75 4.34 4.14 1a5uG1 ALA 4337 HB3 -0.02 0.02 0.18 -0.04 1.41 1.55 1a5uG1 THR 4338 H -0.02 0.15 0.26 -0.55 8.28 8.12 1a5uG1 THR 4338 HA -0.01 0.34 1.43 -0.75 4.39 5.39 1a5uG1 THR 4338 HB -0.01 -0.05 0.11 -0.04 4.32 4.33 1a5uG1 THR 4338 HG23 -0.02 -0.03 -0.18 -0.04 1.22 0.95 1a5uG1 LEU 4339 H -0.01 0.82 0.36 -0.55 8.37 8.99 1a5uG1 LEU 4339 HA -0.02 0.32 0.99 -0.75 4.35 4.89 1a5uG1 LEU 4339 HB2 -0.01 -0.01 -0.25 -0.04 1.64 1.33 1a5uG1 LEU 4339 HB3 -0.01 -0.08 -0.20 -0.04 1.64 1.30 1a5uG1 LEU 4339 HG -0.02 -0.06 -0.12 -0.04 1.64 1.40 1a5uG1 LEU 4339 HD13 -0.03 -0.08 -0.02 -0.04 0.93 0.77 1a5uG1 LEU 4339 HD23 -0.00 0.02 -0.31 -0.04 0.89 0.56 1a5uG1 LYS 4340 H -0.03 0.57 0.25 -0.55 8.42 8.67 1a5uG1 LYS 4340 HA 0.04 0.31 1.32 -0.75 4.32 5.24 1a5uG1 LYS 4340 HB2 -0.08 -0.04 0.16 -0.04 1.87 1.88 1a5uG1 LYS 4340 HB3 -0.05 -0.03 -0.02 -0.04 1.79 1.65 1a5uG1 LYS 4340 HG2 -0.04 -0.03 -0.06 -0.04 1.46 1.29 1a5uG1 LYS 4340 HG3 -0.04 -0.01 -0.13 -0.04 1.46 1.24 1a5uG1 LYS 4340 HD2 -0.10 0.05 -0.02 -0.04 1.69 1.59 1a5uG1 LYS 4340 HD3 -0.16 -0.05 -0.04 -0.04 1.68 1.39 1a5uG1 LYS 4340 HE2 -0.09 -0.02 -0.05 -0.04 2.99 2.78 1a5uG1 LYS 4340 HE3 -0.06 0.03 -0.05 -0.04 2.99 2.87 1a5uG1 ILE 4341 H 0.09 1.31 0.45 -0.55 8.25 9.55 1a5uG1 ILE 4341 HA 0.02 0.29 0.84 -0.75 4.18 4.58 1a5uG1 ILE 4341 HB 0.06 -0.18 0.27 -0.04 1.89 2.00 1a5uG1 ILE 4341 HG12 0.01 0.01 -0.17 -0.04 1.49 1.30 1a5uG1 ILE 4341 HG13 0.03 0.11 -0.07 -0.04 1.21 1.23 1a5uG1 ILE 4341 HG23 -0.02 -0.00 -0.12 -0.04 0.93 0.75 1a5uG1 ILE 4341 HD13 -0.01 -0.01 -0.16 -0.04 0.88 0.66 1a5uG1 THR 4342 H 0.07 0.58 0.18 -0.55 8.28 8.57 1a5uG1 THR 4342 HA 0.18 0.28 1.20 -0.75 4.39 5.29 1a5uG1 THR 4342 HB 0.07 0.04 -0.07 -0.04 4.32 4.32 1a5uG1 THR 4342 HG23 0.38 -0.00 -0.17 -0.04 1.22 1.39 1a5uG1 LEU 4343 H 0.17 0.57 0.24 -0.55 8.37 8.80 1a5uG1 LEU 4343 HA -0.05 0.13 0.57 -0.75 4.35 4.24 1a5uG1 LEU 4343 HB2 0.07 0.11 0.06 -0.04 1.64 1.84 1a5uG1 LEU 4343 HB3 0.05 -0.02 0.08 -0.04 1.64 1.71 1a5uG1 LEU 4343 HG -0.08 -0.02 -0.17 -0.04 1.64 1.32 1a5uG1 LEU 4343 HD13 -0.06 0.02 -0.37 -0.04 0.93 0.48 1a5uG1 LEU 4343 HD23 -0.04 -0.00 -0.10 -0.04 0.89 0.72 1a5uG1 ASP 4344 H 0.34 0.06 -0.22 -0.55 8.40 8.04 1a5uG1 ASP 4344 HA 0.19 0.18 0.77 -0.75 4.63 5.01 1a5uG1 ASP 4344 HB2 0.13 0.09 0.08 -0.04 2.71 2.97 1a5uG1 ASP 4344 HB3 0.27 0.03 0.13 -0.04 2.70 3.09 1a5uG1 ASN 4345 H 0.19 0.31 0.24 -0.55 8.53 8.73 1a5uG1 ASN 4345 HA -0.01 0.09 0.26 -0.75 4.76 4.34 1a5uG1 ASN 4345 HB2 0.01 0.00 0.07 -0.04 2.88 2.93 1a5uG1 ASN 4345 HB3 -0.06 0.02 0.09 -0.04 2.79 2.80 1a5uG1 ASN 4345 HD21 0.12 0.02 0.05 -0.04 7.03 7.18 1a5uG1 ASN 4345 HD22 0.05 -0.01 0.04 -0.04 7.74 7.79 1a5uG1 ALA 4346 H -0.16 0.03 -0.80 -0.55 8.40 6.93 1a5uG1 ALA 4346 HA -0.25 0.15 0.64 -0.75 4.34 4.12 1a5uG1 ALA 4346 HB3 -0.34 0.01 0.04 -0.04 1.41 1.07 1a5uG1 TYR 4347 H -0.19 0.90 -0.00 -0.55 8.29 8.44 1a5uG1 TYR 4347 HA -0.10 0.20 0.69 -0.75 4.56 4.59 1a5uG1 TYR 4347 HB2 0.21 0.12 -0.01 -0.04 3.06 3.35 1a5uG1 TYR 4347 HB3 0.15 -0.03 -0.02 -0.04 2.98 3.03 1a5uG1 TYR 4347 HD2 0.05 -0.01 -0.01 -0.04 7.15 7.13 1a5uG1 TYR 4347 HE2 0.00 0.01 -0.04 -0.04 6.85 6.78 1a5uG1 MET 4348 H -0.82 0.27 -0.50 -0.55 8.47 6.88 1a5uG1 MET 4348 HA -2.24 0.07 0.28 -0.75 4.52 1.88 1a5uG1 MET 4348 HB2 -0.60 -0.01 0.09 -0.04 2.15 1.58 1a5uG1 MET 4348 HB3 -0.83 -0.02 -0.01 -0.04 2.03 1.13 1a5uG1 MET 4348 HG2 -2.53 0.01 0.03 -0.04 2.63 0.09 1a5uG1 MET 4348 HG3 -0.96 0.21 0.16 -0.04 2.56 1.93 1a5uG1 MET 4348 HE3 -0.27 0.01 0.03 -0.04 2.10 1.82 1a5uG1 GLU 4349 H -0.26 0.20 -0.15 -0.55 8.60 7.84 1a5uG1 GLU 4349 HA -0.05 0.07 0.80 -0.75 4.29 4.36 1a5uG1 GLU 4349 HB2 -0.09 0.08 0.04 -0.04 2.09 2.09 1a5uG1 GLU 4349 HB3 -0.06 -0.04 0.18 -0.04 1.99 2.03 1a5uG1 GLU 4349 HG2 -0.12 -0.02 -0.07 -0.04 2.34 2.10 1a5uG1 GLU 4349 HG3 -0.21 -0.05 -0.01 -0.04 2.34 2.03 1a5uG1 LYS 4350 H -0.00 0.39 -0.63 -0.55 8.42 7.62 1a5uG1 LYS 4350 HA 0.03 0.10 0.83 -0.75 4.32 4.52 1a5uG1 LYS 4350 HB2 0.23 0.01 0.13 -0.04 1.87 2.20 1a5uG1 LYS 4350 HB3 0.10 -0.01 0.14 -0.04 1.79 1.98 1a5uG1 LYS 4350 HG2 0.00 0.06 -0.24 -0.04 1.46 1.24 1a5uG1 LYS 4350 HG3 -0.02 -0.05 -0.16 -0.04 1.46 1.19 1a5uG1 LYS 4350 HD2 0.09 0.00 -0.00 -0.04 1.69 1.74 1a5uG1 LYS 4350 HD3 0.05 -0.01 -0.02 -0.04 1.68 1.66 1a5uG1 LYS 4350 HE2 -0.03 -0.01 -0.03 -0.04 2.99 2.88 1a5uG1 LYS 4350 HE3 -0.07 0.01 -0.01 -0.04 2.99 2.88 1a5uG1 CYS 4351 H 0.06 0.65 0.04 -0.55 8.50 8.71 1a5uG1 CYS 4351 HA 0.09 0.16 0.70 -0.75 4.58 4.77 1a5uG1 CYS 4351 HB2 0.10 0.06 -1.00 -0.04 2.97 2.10 1a5uG1 CYS 4351 HB3 0.09 -0.01 -0.12 -0.04 2.97 2.90 1a5uG1 ASP 4352 H 0.03 0.95 0.44 -0.55 8.40 9.26 1a5uG1 ASP 4352 HA 0.02 0.06 0.26 -0.75 4.63 4.22 1a5uG1 ASP 4352 HB2 -0.00 -0.11 0.24 -0.04 2.71 2.80 1a5uG1 ASP 4352 HB3 0.01 0.34 -0.06 -0.04 2.70 2.95 1a5uG1 GLU 4353 H -0.01 0.20 0.12 -0.55 8.60 8.36 1a5uG1 GLU 4353 HA -0.02 0.09 0.23 -0.75 4.29 3.83 1a5uG1 GLU 4353 HB2 -0.04 0.07 0.01 -0.04 2.09 2.10 1a5uG1 GLU 4353 HB3 -0.04 0.03 -0.00 -0.04 1.99 1.93 1a5uG1 GLU 4353 HG2 -0.02 -0.13 0.14 -0.04 2.34 2.29 1a5uG1 GLU 4353 HG3 -0.03 0.03 -0.05 -0.04 2.34 2.26 1a5uG1 ASN 4354 H -0.03 -0.20 -0.81 -0.55 8.53 6.93 1a5uG1 ASN 4354 HA -0.04 0.31 1.00 -0.75 4.76 5.28 1a5uG1 ASN 4354 HB2 -0.06 -0.05 0.00 -0.04 2.88 2.73 1a5uG1 ASN 4354 HB3 -0.06 0.00 -0.01 -0.04 2.79 2.68 1a5uG1 ASN 4354 HD21 -0.03 -0.00 -0.05 -0.04 7.03 6.91 1a5uG1 ASN 4354 HD22 -0.04 0.09 0.07 -0.04 7.74 7.82 1a5uG1 ILE 4355 H -0.06 -0.07 0.05 -0.55 8.25 7.63 1a5uG1 ILE 4355 HA -0.08 0.27 1.17 -0.75 4.18 4.79 1a5uG1 ILE 4355 HB -0.18 0.08 0.12 -0.04 1.89 1.87 1a5uG1 ILE 4355 HG12 -0.16 -0.16 -0.35 -0.04 1.49 0.79 1a5uG1 ILE 4355 HG13 -0.31 0.05 -0.04 -0.04 1.21 0.87 1a5uG1 ILE 4355 HG23 -0.35 -0.01 -0.11 -0.04 0.93 0.42 1a5uG1 ILE 4355 HD13 -0.35 0.01 -0.06 -0.04 0.88 0.44 1a5uG1 LEU 4356 H -0.01 0.86 0.37 -0.55 8.37 9.05 1a5uG1 LEU 4356 HA 0.07 0.16 1.25 -0.75 4.35 5.08 1a5uG1 LEU 4356 HB2 0.02 0.05 -0.16 -0.04 1.64 1.50 1a5uG1 LEU 4356 HB3 0.01 -0.05 0.08 -0.04 1.64 1.65 1a5uG1 LEU 4356 HG 0.01 -0.06 -0.37 -0.04 1.64 1.19 1a5uG1 LEU 4356 HD13 0.08 -0.02 0.03 -0.04 0.93 0.98 1a5uG1 LEU 4356 HD23 0.02 0.00 -0.18 -0.04 0.89 0.69 1a5uG1 TRP 4357 H 0.27 0.21 0.07 -0.55 7.97 7.98 1a5uG1 TRP 4357 HA 0.07 0.32 0.78 -0.75 4.62 5.04 1a5uG1 TRP 4357 HB2 0.13 -0.00 -0.22 -0.04 3.23 3.09 1a5uG1 TRP 4357 HB3 0.07 0.06 0.03 -0.04 3.23 3.35 1a5uG1 TRP 4357 HD1 0.14 -0.05 -0.42 -0.04 7.22 6.84 1a5uG1 TRP 4357 HE1 0.05 -0.06 -0.59 -0.04 10.20 9.55 1a5uG1 TRP 4357 HE3 0.04 -0.17 0.04 -0.04 7.59 7.46 1a5uG1 TRP 4357 HZ2 0.02 -0.08 -0.02 -0.04 7.44 7.32 1a5uG1 TRP 4357 HZ3 0.02 -0.04 -0.18 -0.04 7.13 6.89 1a5uG1 TRP 4357 HH2 0.01 -0.07 -0.03 -0.04 7.19 7.07 1a5uG1 LEU 4358 H -0.59 0.31 0.16 -0.55 8.37 7.70 1a5uG1 LEU 4358 HA -0.39 0.15 0.59 -0.75 4.35 3.95 1a5uG1 LEU 4358 HB2 -0.26 0.06 0.01 -0.04 1.64 1.41 1a5uG1 LEU 4358 HB3 -0.35 -0.00 -0.11 -0.04 1.64 1.13 1a5uG1 LEU 4358 HG -0.15 -0.11 0.06 -0.04 1.64 1.40 1a5uG1 LEU 4358 HD13 -0.08 0.02 -0.16 -0.04 0.93 0.67 1a5uG1 LEU 4358 HD23 -0.03 0.03 -0.05 -0.04 0.89 0.80 1a5uG1 ASP 4359 H -0.28 -0.07 0.20 -0.55 8.40 7.71 1a5uG1 ASP 4359 HA -0.42 0.17 0.76 -0.75 4.63 4.39 1a5uG1 ASP 4359 HB2 -0.12 0.20 0.27 -0.04 2.71 3.02 1a5uG1 ASP 4359 HB3 -0.03 0.03 -0.12 -0.04 2.70 2.54 1a5uG1 TYR 4360 H -0.03 -0.04 0.15 -0.55 8.29 7.82 1a5uG1 TYR 4360 HA -0.09 0.13 0.77 -0.75 4.56 4.62 1a5uG1 TYR 4360 HB2 -0.10 0.04 0.09 -0.04 3.06 3.05 1a5uG1 TYR 4360 HB3 -0.11 -0.00 0.15 -0.04 2.98 2.99 1a5uG1 TYR 4360 HD2 -0.06 0.01 -0.07 -0.04 7.15 6.99 1a5uG1 TYR 4360 HE2 -0.04 0.13 -0.27 -0.04 6.85 6.63 1a5uG1 LYS 4361 H -0.31 0.25 0.20 -0.55 8.42 8.00 1a5uG1 LYS 4361 HA -0.18 0.11 0.35 -0.75 4.32 3.84 1a5uG1 LYS 4361 HB2 -0.18 0.01 0.14 -0.04 1.87 1.80 1a5uG1 LYS 4361 HB3 -0.14 0.04 0.03 -0.04 1.79 1.68 1a5uG1 LYS 4361 HG2 -0.03 0.02 0.04 -0.04 1.46 1.45 1a5uG1 LYS 4361 HG3 -0.06 -0.00 -0.01 -0.04 1.46 1.34 1a5uG1 LYS 4361 HD2 -0.05 0.06 -0.10 -0.04 1.69 1.55 1a5uG1 LYS 4361 HD3 -0.06 -0.01 0.10 -0.04 1.68 1.67 1a5uG1 LYS 4361 HE2 0.05 -0.02 0.03 -0.04 2.99 3.02 1a5uG1 LYS 4361 HE3 0.10 0.02 0.02 -0.04 2.99 3.10 1a5uG1 ASN 4362 H -1.20 0.11 -0.14 -0.55 8.53 6.75 1a5uG1 ASN 4362 HA -0.19 0.35 1.10 -0.75 4.76 5.26 1a5uG1 ASN 4362 HB2 -0.30 0.02 0.06 -0.04 2.88 2.62 1a5uG1 ASN 4362 HB3 -0.10 0.02 0.17 -0.04 2.79 2.85 1a5uG1 ASN 4362 HD21 -0.11 0.02 -0.02 -0.04 7.03 6.88 1a5uG1 ASN 4362 HD22 -0.13 0.03 0.01 -0.04 7.74 7.61 1a5uG1 ILE 4363 H -0.20 0.28 -0.44 -0.55 8.25 7.34 1a5uG1 ILE 4363 HA 0.34 0.06 0.30 -0.75 4.18 4.12 1a5uG1 ILE 4363 HB 0.27 0.12 0.05 -0.04 1.89 2.29 1a5uG1 ILE 4363 HG12 0.04 0.03 -0.26 -0.04 1.49 1.26 1a5uG1 ILE 4363 HG13 0.10 -0.00 -0.05 -0.04 1.21 1.22 1a5uG1 ILE 4363 HG23 -0.01 0.03 -0.16 -0.04 0.93 0.74 1a5uG1 ILE 4363 HD13 0.02 -0.01 -0.13 -0.04 0.88 0.72 1a5uG1 CYS 4364 H -0.04 0.14 -0.33 -0.55 8.50 7.73 1a5uG1 CYS 4364 HA -0.04 0.06 0.19 -0.75 4.58 4.04 1a5uG1 CYS 4364 HB2 -0.06 0.00 -0.00 -0.04 2.97 2.86 1a5uG1 CYS 4364 HB3 -0.07 0.09 0.01 -0.04 2.97 2.96 1a5uG1 LYS 4365 H 0.00 0.36 -0.54 -0.55 8.42 7.68 1a5uG1 LYS 4365 HA -0.01 0.26 1.00 -0.75 4.32 4.82 1a5uG1 LYS 4365 HB2 -0.02 -0.06 -0.02 -0.04 1.87 1.73 1a5uG1 LYS 4365 HB3 0.00 0.00 0.04 -0.04 1.79 1.80 1a5uG1 LYS 4365 HG2 -0.01 0.05 0.17 -0.04 1.46 1.63 1a5uG1 LYS 4365 HG3 -0.01 -0.02 0.04 -0.04 1.46 1.42 1a5uG1 LYS 4365 HD2 -0.00 -0.04 -0.00 -0.04 1.69 1.61 1a5uG1 LYS 4365 HD3 0.01 0.00 -0.04 -0.04 1.68 1.61 1a5uG1 LYS 4365 HE2 -0.00 -0.00 0.02 -0.04 2.99 2.96 1a5uG1 LYS 4365 HE3 -0.01 0.01 0.02 -0.04 2.99 2.97 1a5uG1 VAL 4366 H 0.06 0.25 0.06 -0.55 8.24 8.06 1a5uG1 VAL 4366 HA 0.03 -0.01 0.47 -0.75 4.13 3.88 1a5uG1 VAL 4366 HB 0.10 0.07 0.17 -0.04 2.12 2.41 1a5uG1 VAL 4366 HG13 -0.03 -0.03 -0.19 -0.04 0.97 0.68 1a5uG1 VAL 4366 HG23 0.28 0.06 -0.04 -0.04 0.95 1.22 1a5uG1 VAL 4367 H 0.01 0.39 -0.15 -0.55 8.24 7.94 1a5uG1 VAL 4367 HA -0.01 0.16 0.90 -0.75 4.13 4.43 1a5uG1 VAL 4367 HB -0.00 -0.08 -0.14 -0.04 2.12 1.86 1a5uG1 VAL 4367 HG13 -0.02 0.01 -0.33 -0.04 0.97 0.59 1a5uG1 VAL 4367 HG23 -0.02 -0.00 -0.10 -0.04 0.95 0.79 1a5uG1 ASP 4368 H -0.01 0.12 0.08 -0.55 8.40 8.04 1a5uG1 ASP 4368 HA -0.02 0.18 0.68 -0.75 4.63 4.72 1a5uG1 ASP 4368 HB2 -0.01 0.02 0.02 -0.04 2.71 2.70 1a5uG1 ASP 4368 HB3 -0.01 -0.00 0.12 -0.04 2.70 2.76 1a5uG1 VAL 4369 H -0.02 0.10 0.13 -0.55 8.24 7.90 1a5uG1 VAL 4369 HA -0.02 0.03 0.38 -0.75 4.13 3.77 1a5uG1 VAL 4369 HB -0.01 -0.01 0.05 -0.04 2.12 2.10 1a5uG1 VAL 4369 HG13 -0.01 -0.00 0.05 -0.04 0.97 0.96 1a5uG1 VAL 4369 HG23 -0.02 -0.02 0.09 -0.04 0.95 0.96 1a5uG1 GLY 4370 H -0.02 1.40 0.47 -0.55 8.43 9.74 1a5uG1 GLY 4370 HA2 -0.02 -0.04 0.33 -0.51 4.01 3.77 1a5uG1 GLY 4370 HA3 -0.01 0.01 0.46 -0.51 4.01 3.96 1a5uG1 SER 4371 H -0.03 0.14 -0.04 -0.55 8.46 7.99 1a5uG1 SER 4371 HA -0.02 0.20 0.76 -0.75 4.49 4.67 1a5uG1 SER 4371 HB2 -0.02 0.49 0.08 -0.04 3.95 4.46 1a5uG1 SER 4371 HB3 -0.03 -0.04 -0.05 -0.04 3.93 3.77 1a5uG1 LYS 4372 H -0.04 0.21 0.17 -0.55 8.42 8.21 1a5uG1 LYS 4372 HA -0.16 0.39 1.07 -0.75 4.32 4.86 1a5uG1 LYS 4372 HB2 -0.04 0.02 0.12 -0.04 1.87 1.93 1a5uG1 LYS 4372 HB3 -0.21 -0.01 -0.02 -0.04 1.79 1.52 1a5uG1 LYS 4372 HG2 -0.14 -0.03 -0.02 -0.04 1.46 1.23 1a5uG1 LYS 4372 HG3 -0.30 0.04 0.07 -0.04 1.46 1.23 1a5uG1 LYS 4372 HD2 -0.06 -0.01 -0.32 -0.04 1.69 1.25 1a5uG1 LYS 4372 HD3 -0.02 -0.00 -0.06 -0.04 1.68 1.56 1a5uG1 LYS 4372 HE2 -0.10 -0.03 -0.17 -0.04 2.99 2.65 1a5uG1 LYS 4372 HE3 -0.05 -0.02 -0.14 -0.04 2.99 2.74 1a5uG1 VAL 4373 H -0.29 0.42 0.27 -0.55 8.24 8.08 1a5uG1 VAL 4373 HA -0.09 0.22 0.91 -0.75 4.13 4.43 1a5uG1 VAL 4373 HB -0.09 -0.07 -0.05 -0.04 2.12 1.86 1a5uG1 VAL 4373 HG13 -0.03 -0.02 -0.30 -0.04 0.97 0.58 1a5uG1 VAL 4373 HG23 -0.05 0.00 -0.35 -0.04 0.95 0.51 1a5uG1 TYR 4374 H 0.13 0.51 0.22 -0.55 8.29 8.59 1a5uG1 TYR 4374 HA 0.01 0.47 1.23 -0.75 4.56 5.52 1a5uG1 TYR 4374 HB2 0.01 -0.05 0.12 -0.04 3.06 3.10 1a5uG1 TYR 4374 HB3 0.02 -0.18 -0.03 -0.04 2.98 2.75 1a5uG1 TYR 4374 HD2 0.01 0.22 -0.08 -0.04 7.15 7.26 1a5uG1 TYR 4374 HE2 0.01 0.04 -0.07 -0.04 6.85 6.79 1a5uG1 VAL 4375 H 0.14 0.62 0.17 -0.55 8.24 8.61 1a5uG1 VAL 4375 HA 0.08 0.41 1.27 -0.75 4.13 5.13 1a5uG1 VAL 4375 HB 0.06 -0.02 -0.05 -0.04 2.12 2.07 1a5uG1 VAL 4375 HG13 0.05 -0.00 -0.14 -0.04 0.97 0.84 1a5uG1 VAL 4375 HG23 0.03 0.03 -0.35 -0.04 0.95 0.61 1a5uG1 ASP 4376 H 0.08 0.77 0.15 -0.55 8.40 8.85 1a5uG1 ASP 4376 HA 0.08 -0.06 0.38 -0.75 4.63 4.27 1a5uG1 ASP 4376 HB2 0.08 -0.00 -0.27 -0.04 2.71 2.48 1a5uG1 ASP 4376 HB3 0.08 0.17 0.36 -0.04 2.70 3.27 1a5uG1 ASP 4377 H 0.07 0.12 -0.06 -0.55 8.40 7.98 1a5uG1 ASP 4377 HA 0.03 0.04 0.17 -0.75 4.63 4.11 1a5uG1 ASP 4377 HB2 0.03 0.10 -0.34 -0.04 2.71 2.46 1a5uG1 ASP 4377 HB3 0.01 0.13 0.09 -0.04 2.70 2.89 1a5uG1 GLY 4378 H 0.09 -0.04 -0.72 -0.55 8.43 7.20 1a5uG1 GLY 4378 HA2 0.09 -0.00 0.10 -0.51 4.01 3.69 1a5uG1 GLY 4378 HA3 -0.14 0.16 0.35 -0.51 4.01 3.87 1a5uG1 LEU 4379 H 0.08 0.35 -0.57 -0.55 8.37 7.68 1a5uG1 LEU 4379 HA 0.07 0.01 0.30 -0.75 4.35 3.97 1a5uG1 LEU 4379 HB2 0.06 -0.02 0.11 -0.04 1.64 1.75 1a5uG1 LEU 4379 HB3 0.08 0.20 0.25 -0.04 1.64 2.13 1a5uG1 LEU 4379 HG 0.09 0.01 -0.29 -0.04 1.64 1.41 1a5uG1 LEU 4379 HD13 0.07 -0.02 0.03 -0.04 0.93 0.97 1a5uG1 LEU 4379 HD23 0.08 -0.04 -0.00 -0.04 0.89 0.89 1a5uG1 ILE 4380 H 0.11 0.35 -0.04 -0.55 8.25 8.12 1a5uG1 ILE 4380 HA 0.08 0.22 0.85 -0.75 4.18 4.57 1a5uG1 ILE 4380 HB 0.05 -0.13 -0.01 -0.04 1.89 1.77 1a5uG1 ILE 4380 HG12 0.08 -0.10 -0.30 -0.04 1.49 1.13 1a5uG1 ILE 4380 HG13 0.07 -0.04 -0.15 -0.04 1.21 1.05 1a5uG1 ILE 4380 HG23 0.02 0.05 -0.12 -0.04 0.93 0.84 1a5uG1 ILE 4380 HD13 0.06 0.02 -0.40 -0.04 0.88 0.51 1a5uG1 SER 4381 H 0.04 0.18 0.14 -0.55 8.46 8.27 1a5uG1 SER 4381 HA -0.31 0.18 0.81 -0.75 4.49 4.41 1a5uG1 SER 4381 HB2 0.16 0.10 -0.06 -0.04 3.95 4.11 1a5uG1 SER 4381 HB3 0.00 -0.07 0.03 -0.04 3.93 3.85 1a5uG1 LEU 4382 H -0.29 0.32 0.22 -0.55 8.37 8.08 1a5uG1 LEU 4382 HA -0.07 0.17 0.94 -0.75 4.35 4.65 1a5uG1 LEU 4382 HB2 -0.10 0.21 0.07 -0.04 1.64 1.78 1a5uG1 LEU 4382 HB3 -0.07 -0.02 -0.22 -0.04 1.64 1.28 1a5uG1 LEU 4382 HG -0.03 -0.03 -0.18 -0.04 1.64 1.35 1a5uG1 LEU 4382 HD13 -0.03 0.01 -0.21 -0.04 0.93 0.66 1a5uG1 LEU 4382 HD23 -0.02 -0.00 -0.25 -0.04 0.89 0.58 1a5uG1 GLN 4383 H -0.05 0.32 0.25 -0.55 8.47 8.44 1a5uG1 GLN 4383 HA -0.07 0.47 1.11 -0.75 4.36 5.11 1a5uG1 GLN 4383 HB2 -0.05 0.05 -0.08 -0.04 2.15 2.03 1a5uG1 GLN 4383 HB3 -0.04 0.01 0.13 -0.04 2.02 2.08 1a5uG1 GLN 4383 HG2 -0.02 -0.03 -0.05 -0.04 2.40 2.26 1a5uG1 GLN 4383 HG3 -0.02 0.00 -0.36 -0.04 2.39 1.97 1a5uG1 GLN 4383 HE21 -0.01 0.04 -0.02 -0.04 6.97 6.94 1a5uG1 GLN 4383 HE22 -0.01 -0.04 -0.03 -0.04 7.69 7.57 1a5uG1 VAL 4384 H -0.04 0.92 0.21 -0.55 8.24 8.78 1a5uG1 VAL 4384 HA -0.02 0.02 0.48 -0.75 4.13 3.86 1a5uG1 VAL 4384 HB -0.03 -0.79 0.35 -0.04 2.12 1.61 1a5uG1 VAL 4384 HG13 -0.03 0.02 -0.31 -0.04 0.97 0.61 1a5uG1 VAL 4384 HG23 -0.03 0.06 -0.20 -0.04 0.95 0.74 1a5uG1 LYS 4385 H 0.00 0.42 0.57 -0.55 8.42 8.86 1a5uG1 LYS 4385 HA -0.00 0.07 0.77 -0.75 4.32 4.41 1a5uG1 LYS 4385 HB2 0.02 0.18 0.18 -0.04 1.87 2.21 1a5uG1 LYS 4385 HB3 0.01 -0.05 0.01 -0.04 1.79 1.72 1a5uG1 LYS 4385 HG2 -0.01 0.01 -0.02 -0.04 1.46 1.40 1a5uG1 LYS 4385 HG3 -0.00 -0.01 -0.08 -0.04 1.46 1.33 1a5uG1 LYS 4385 HD2 -0.00 0.01 -0.02 -0.04 1.69 1.64 1a5uG1 LYS 4385 HD3 0.00 0.01 0.05 -0.04 1.68 1.70 1a5uG1 LYS 4385 HE2 -0.01 -0.03 -0.11 -0.04 2.99 2.79 1a5uG1 LYS 4385 HE3 -0.01 0.00 -0.02 -0.04 2.99 2.92 1a5uG1 GLN 4386 H 0.04 0.76 0.44 -0.55 8.47 9.16 1a5uG1 GLN 4386 HA 0.01 0.22 1.06 -0.75 4.36 4.90 1a5uG1 GLN 4386 HB2 0.09 -0.03 0.08 -0.04 2.15 2.26 1a5uG1 GLN 4386 HB3 0.15 -0.04 -0.05 -0.04 2.02 2.04 1a5uG1 GLN 4386 HG2 0.03 0.12 0.09 -0.04 2.40 2.60 1a5uG1 GLN 4386 HG3 0.05 -0.00 -0.07 -0.04 2.39 2.32 1a5uG1 GLN 4386 HE21 0.05 -0.01 -0.01 -0.04 6.97 6.95 1a5uG1 GLN 4386 HE22 0.03 0.03 0.01 -0.04 7.69 7.72 1a5uG1 LYS 4387 H -0.05 0.25 0.11 -0.55 8.42 8.18 1a5uG1 LYS 4387 HA -0.18 0.09 0.91 -0.75 4.32 4.39 1a5uG1 LYS 4387 HB2 -0.06 -0.07 0.07 -0.04 1.87 1.77 1a5uG1 LYS 4387 HB3 -0.10 0.07 0.20 -0.04 1.79 1.92 1a5uG1 LYS 4387 HG2 -0.12 0.06 0.00 -0.04 1.46 1.37 1a5uG1 LYS 4387 HG3 -0.07 -0.08 -0.15 -0.04 1.46 1.12 1a5uG1 LYS 4387 HD2 -0.04 0.04 -0.07 -0.04 1.69 1.57 1a5uG1 LYS 4387 HD3 -0.05 -0.12 0.02 -0.04 1.68 1.49 1a5uG1 LYS 4387 HE2 -0.07 -0.11 0.07 -0.04 2.99 2.85 1a5uG1 LYS 4387 HE3 -0.06 0.11 0.16 -0.04 2.99 3.16 1a5uG1 GLY 4388 H -0.91 0.42 0.16 -0.55 8.43 7.56 1a5uG1 GLY 4388 HA2 -0.47 0.09 0.48 -0.51 4.01 3.60 1a5uG1 GLY 4388 HA3 -2.52 -0.09 0.34 -0.51 4.01 1.23 1a5uG1 PRO 4389 HA -0.11 0.28 0.87 -0.51 4.44 4.98 1a5uG1 PRO 4389 HB2 0.04 0.00 0.03 -0.04 2.28 2.31 1a5uG1 PRO 4389 HB3 -0.01 0.09 0.08 -0.04 2.02 2.14 1a5uG1 PRO 4389 HG2 0.18 0.00 0.08 -0.04 2.03 2.25 1a5uG1 PRO 4389 HG3 0.06 0.10 0.00 -0.04 2.03 2.16 1a5uG1 PRO 4389 HD2 0.24 0.07 0.18 -0.04 3.68 4.13 1a5uG1 PRO 4389 HD3 -0.09 0.24 -0.02 -0.04 3.65 3.74 1a5uG1 ASP 4390 H 0.15 0.14 0.13 -0.55 8.40 8.28 1a5uG1 ASP 4390 HA 0.04 0.22 0.74 -0.75 4.63 4.88 1a5uG1 ASP 4390 HB2 0.08 0.06 0.10 -0.04 2.71 2.90 1a5uG1 ASP 4390 HB3 0.11 0.02 0.02 -0.04 2.70 2.81 1a5uG1 PHE 4391 H -0.25 0.25 -0.28 -0.55 8.34 7.50 1a5uG1 PHE 4391 HA 0.01 0.14 0.53 -0.75 4.62 4.54 1a5uG1 PHE 4391 HB2 0.01 0.18 0.15 -0.04 3.15 3.45 1a5uG1 PHE 4391 HB3 0.04 0.03 -0.33 -0.04 3.06 2.76 1a5uG1 PHE 4391 HD2 0.01 -0.07 -0.31 -0.04 7.28 6.87 1a5uG1 PHE 4391 HE2 0.01 0.03 -0.08 -0.04 7.38 7.30 1a5uG1 PHE 4391 HZ 0.01 0.08 -0.08 -0.04 7.32 7.28 1a5uG1 LEU 4392 H 0.27 0.71 0.35 -0.55 8.37 9.16 1a5uG1 LEU 4392 HA -0.01 0.25 0.96 -0.75 4.35 4.80 1a5uG1 LEU 4392 HB2 0.03 -0.05 0.03 -0.04 1.64 1.61 1a5uG1 LEU 4392 HB3 0.03 -0.01 -0.09 -0.04 1.64 1.52 1a5uG1 LEU 4392 HG -0.02 0.00 -0.17 -0.04 1.64 1.41 1a5uG1 LEU 4392 HD13 -0.09 0.11 0.11 -0.04 0.93 1.02 1a5uG1 LEU 4392 HD23 -0.03 -0.00 -0.29 -0.04 0.89 0.52 1a5uG1 VAL 4393 H 0.15 0.96 0.42 -0.55 8.24 9.22 1a5uG1 VAL 4393 HA 0.10 0.17 0.99 -0.75 4.13 4.63 1a5uG1 VAL 4393 HB 0.12 -0.14 0.29 -0.04 2.12 2.35 1a5uG1 VAL 4393 HG13 0.04 0.02 -0.06 -0.04 0.97 0.92 1a5uG1 VAL 4393 HG23 0.31 0.00 -0.04 -0.04 0.95 1.18 1a5uG1 THR 4394 H 0.02 1.30 0.53 -0.55 8.28 9.59 1a5uG1 THR 4394 HA 0.00 0.11 1.30 -0.75 4.39 5.05 1a5uG1 THR 4394 HB -0.02 -0.10 0.03 -0.04 4.32 4.18 1a5uG1 THR 4394 HG23 -0.01 -0.01 -0.48 -0.04 1.22 0.68 1a5uG1 GLU 4395 H -0.02 0.34 0.36 -0.55 8.60 8.74 1a5uG1 GLU 4395 HA -0.01 0.37 1.04 -0.75 4.29 4.93 1a5uG1 GLU 4395 HB2 -0.01 -0.04 0.06 -0.04 2.09 2.06 1a5uG1 GLU 4395 HB3 -0.01 -0.09 0.03 -0.04 1.99 1.87 1a5uG1 GLU 4395 HG2 -0.01 0.31 -0.13 -0.04 2.34 2.48 1a5uG1 GLU 4395 HG3 -0.01 -0.05 -0.02 -0.04 2.34 2.23 1a5uG1 VAL 4396 H -0.01 1.39 0.19 -0.55 8.24 9.26 1a5uG1 VAL 4396 HA -0.02 0.05 0.61 -0.75 4.13 4.02 1a5uG1 VAL 4396 HB -0.02 0.06 0.09 -0.04 2.12 2.21 1a5uG1 VAL 4396 HG13 -0.01 -0.10 -0.34 -0.04 0.97 0.47 1a5uG1 VAL 4396 HG23 -0.02 -0.02 -0.18 -0.04 0.95 0.70 1a5uG1 GLU 4397 H -0.02 0.41 0.38 -0.55 8.60 8.82 1a5uG1 GLU 4397 HA -0.01 0.01 0.44 -0.75 4.29 3.98 1a5uG1 GLU 4397 HB2 -0.03 0.18 0.01 -0.04 2.09 2.21 1a5uG1 GLU 4397 HB3 -0.00 -0.02 -0.12 -0.04 1.99 1.81 1a5uG1 GLU 4397 HG2 -0.02 -0.02 -0.03 -0.04 2.34 2.22 1a5uG1 GLU 4397 HG3 -0.04 0.02 -0.11 -0.04 2.34 2.16 1a5uG1 ASN 4398 H 0.00 0.22 0.03 -0.55 8.53 8.24 1a5uG1 ASN 4398 HA 0.02 0.17 0.93 -0.75 4.76 5.13 1a5uG1 ASN 4398 HB2 0.04 -0.14 0.10 -0.04 2.88 2.84 1a5uG1 ASN 4398 HB3 0.05 0.18 0.06 -0.04 2.79 3.04 1a5uG1 ASN 4398 HD21 0.15 -0.00 -0.11 -0.04 7.03 7.02 1a5uG1 ASN 4398 HD22 0.11 0.43 -0.07 -0.04 7.74 8.17 1a5uG1 GLY 4399 H 0.02 0.14 0.15 -0.55 8.43 8.20 1a5uG1 GLY 4399 HA2 -0.01 0.06 0.38 -0.51 4.01 3.94 1a5uG1 GLY 4399 HA3 0.01 -0.01 0.31 -0.51 4.01 3.81 1a5uG1 GLY 4400 H -0.03 0.41 0.05 -0.55 8.43 8.31 1a5uG1 GLY 4400 HA2 0.17 -0.04 0.32 -0.51 4.01 3.94 1a5uG1 GLY 4400 HA3 0.10 0.21 0.54 -0.51 4.01 4.36 1a5uG1 PHE 4401 H 0.55 0.13 0.11 -0.55 8.34 8.58 1a5uG1 PHE 4401 HA 0.02 0.01 0.57 -0.75 4.62 4.46 1a5uG1 PHE 4401 HB2 0.02 -0.01 0.01 -0.04 3.15 3.13 1a5uG1 PHE 4401 HB3 0.02 0.07 -0.23 -0.04 3.06 2.87 1a5uG1 PHE 4401 HD2 0.01 -0.03 -0.07 -0.04 7.28 7.16 1a5uG1 PHE 4401 HE2 0.01 0.03 -0.04 -0.04 7.38 7.34 1a5uG1 PHE 4401 HZ 0.01 0.03 -0.02 -0.04 7.32 7.30 1a5uG1 LEU 4402 H 0.09 1.00 0.43 -0.55 8.37 9.34 1a5uG1 LEU 4402 HA 0.09 0.13 0.77 -0.75 4.35 4.59 1a5uG1 LEU 4402 HB2 0.04 0.08 0.13 -0.04 1.64 1.85 1a5uG1 LEU 4402 HB3 0.06 0.01 -0.13 -0.04 1.64 1.54 1a5uG1 LEU 4402 HG 0.03 0.01 -0.13 -0.04 1.64 1.51 1a5uG1 LEU 4402 HD13 0.06 -0.02 -0.06 -0.04 0.93 0.87 1a5uG1 LEU 4402 HD23 0.05 0.03 -0.22 -0.04 0.89 0.71 1a5uG1 GLY 4403 H 0.08 0.14 0.10 -0.55 8.43 8.21 1a5uG1 GLY 4403 HA2 0.07 0.37 0.90 -0.51 4.01 4.84 1a5uG1 GLY 4403 HA3 0.06 0.03 0.22 -0.51 4.01 3.80 1a5uG1 SER 4404 H 0.04 0.26 0.07 -0.55 8.46 8.29 1a5uG1 SER 4404 HA 0.10 0.28 0.90 -0.75 4.49 5.02 1a5uG1 SER 4404 HB2 0.07 -0.00 0.03 -0.04 3.95 4.00 1a5uG1 SER 4404 HB3 0.06 -0.54 0.27 -0.04 3.93 3.68 1a5uG1 LYS 4405 H 0.14 0.40 -0.13 -0.55 8.42 8.27 1a5uG1 LYS 4405 HA 0.12 0.41 0.31 -0.75 4.32 4.41 1a5uG1 LYS 4405 HB2 0.41 0.14 0.21 -0.04 1.87 2.59 1a5uG1 LYS 4405 HB3 -0.00 0.12 0.23 -0.04 1.79 2.09 1a5uG1 LYS 4405 HG2 0.12 -0.11 -0.17 -0.04 1.46 1.26 1a5uG1 LYS 4405 HG3 0.16 -0.10 -0.05 -0.04 1.46 1.43 1a5uG1 LYS 4405 HD2 0.02 0.13 0.05 -0.04 1.69 1.86 1a5uG1 LYS 4405 HD3 0.10 -0.01 -0.00 -0.04 1.68 1.73 1a5uG1 LYS 4405 HE2 0.01 -0.09 -0.04 -0.04 2.99 2.83 1a5uG1 LYS 4405 HE3 0.01 -0.15 0.01 -0.04 2.99 2.81 1a5uG1 LYS 4406 H 0.10 0.11 0.01 -0.55 8.42 8.08 1a5uG1 LYS 4406 HA 0.14 0.17 0.87 -0.75 4.32 4.74 1a5uG1 LYS 4406 HB2 0.08 0.01 -0.01 -0.04 1.87 1.91 1a5uG1 LYS 4406 HB3 0.09 -0.07 -0.04 -0.04 1.79 1.72 1a5uG1 LYS 4406 HG2 0.11 0.03 -0.82 -0.04 1.46 0.74 1a5uG1 LYS 4406 HG3 0.09 -0.06 -0.14 -0.04 1.46 1.31 1a5uG1 LYS 4406 HD2 0.08 -0.01 -0.09 -0.04 1.69 1.64 1a5uG1 LYS 4406 HD3 0.12 -0.06 -0.07 -0.04 1.68 1.63 1a5uG1 LYS 4406 HE2 0.10 0.29 -0.25 -0.04 2.99 3.08 1a5uG1 LYS 4406 HE3 0.06 -0.17 -0.23 -0.04 2.99 2.60 1a5uG1 GLY 4407 H 0.09 0.07 0.19 -0.55 8.43 8.23 1a5uG1 GLY 4407 HA2 0.04 0.22 0.47 -0.51 4.01 4.24 1a5uG1 GLY 4407 HA3 0.07 -0.07 0.36 -0.51 4.01 3.87 1a5uG1 VAL 4408 H 0.00 0.41 0.34 -0.55 8.24 8.44 1a5uG1 VAL 4408 HA 0.04 0.42 0.92 -0.75 4.13 4.76 1a5uG1 VAL 4408 HB -0.05 -0.09 0.04 -0.04 2.12 1.99 1a5uG1 VAL 4408 HG13 -0.02 0.00 -0.16 -0.04 0.97 0.75 1a5uG1 VAL 4408 HG23 -0.02 0.03 -0.32 -0.04 0.95 0.61 1a5uG1 ASN 4409 H 0.09 0.43 0.18 -0.55 8.53 8.69 1a5uG1 ASN 4409 HA 0.01 0.12 0.86 -0.75 4.76 5.00 1a5uG1 ASN 4409 HB2 0.09 -0.00 0.04 -0.04 2.88 2.97 1a5uG1 ASN 4409 HB3 0.06 0.08 -0.04 -0.04 2.79 2.85 1a5uG1 ASN 4409 HD21 0.17 -0.09 -0.04 -0.04 7.03 7.03 1a5uG1 ASN 4409 HD22 0.14 0.08 -0.00 -0.04 7.74 7.92 1a5uG1 LEU 4410 H -0.01 0.17 -0.07 -0.55 8.37 7.91 1a5uG1 LEU 4410 HA 0.07 0.29 0.89 -0.75 4.35 4.84 1a5uG1 LEU 4410 HB2 -0.07 -0.07 0.03 -0.04 1.64 1.50 1a5uG1 LEU 4410 HB3 -0.02 0.12 0.05 -0.04 1.64 1.75 1a5uG1 LEU 4410 HG -0.02 0.18 -0.01 -0.04 1.64 1.75 1a5uG1 LEU 4410 HD13 -0.03 -0.02 -0.64 -0.04 0.93 0.20 1a5uG1 LEU 4410 HD23 -0.05 -0.01 -0.15 -0.04 0.89 0.63 1a5uG1 PRO 4411 HA 0.05 -0.06 0.44 -0.51 4.44 4.37 1a5uG1 PRO 4411 HB2 0.08 0.03 -0.07 -0.04 2.28 2.29 1a5uG1 PRO 4411 HB3 0.06 0.12 0.12 -0.04 2.02 2.28 1a5uG1 PRO 4411 HG2 0.22 0.02 -0.02 -0.04 2.03 2.21 1a5uG1 PRO 4411 HG3 0.02 0.14 -0.07 -0.04 2.03 2.07 1a5uG1 PRO 4411 HD2 0.26 0.18 0.02 -0.04 3.68 4.09 1a5uG1 PRO 4411 HD3 0.18 -0.05 -0.91 -0.04 3.65 2.82 1a5uG1 GLY 4412 H 0.03 0.04 0.23 -0.55 8.43 8.19 1a5uG1 GLY 4412 HA2 -0.00 -0.05 0.39 -0.51 4.01 3.84 1a5uG1 GLY 4412 HA3 0.02 0.07 0.51 -0.51 4.01 4.09 1a5uG1 ALA 4413 H -0.00 0.07 0.13 -0.55 8.40 8.05 1a5uG1 ALA 4413 HA -0.01 0.05 0.56 -0.75 4.34 4.18 1a5uG1 ALA 4413 HB3 -0.01 0.15 -0.02 -0.04 1.41 1.48 1a5uG1 ALA 4414 H -0.01 0.25 0.15 -0.55 8.40 8.24 1a5uG1 ALA 4414 HA -0.01 0.00 0.45 -0.75 4.34 4.02 1a5uG1 ALA 4414 HB3 0.01 0.02 0.11 -0.04 1.41 1.50 1a5uG1 VAL 4415 H -0.04 0.19 0.18 -0.55 8.24 8.02 1a5uG1 VAL 4415 HA -0.04 0.19 1.18 -0.75 4.13 4.70 1a5uG1 VAL 4415 HB -0.16 0.01 0.06 -0.04 2.12 1.99 1a5uG1 VAL 4415 HG13 -0.33 -0.02 -0.21 -0.04 0.97 0.37 1a5uG1 VAL 4415 HG23 -0.29 -0.00 -0.34 -0.04 0.95 0.27 1a5uG1 ASP 4416 H 0.07 0.23 -0.04 -0.55 8.40 8.11 1a5uG1 ASP 4416 HA 0.01 0.11 0.58 -0.75 4.63 4.59 1a5uG1 ASP 4416 HB2 0.03 0.01 0.03 -0.04 2.71 2.75 1a5uG1 ASP 4416 HB3 0.06 -0.01 0.17 -0.04 2.70 2.88 1a5uG1 LEU 4417 H -0.01 0.43 0.21 -0.55 8.37 8.46 1a5uG1 LEU 4417 HA 0.04 0.16 0.83 -0.75 4.35 4.62 1a5uG1 LEU 4417 HB2 -0.08 0.03 -0.12 -0.04 1.64 1.43 1a5uG1 LEU 4417 HB3 -0.04 0.03 -0.08 -0.04 1.64 1.51 1a5uG1 LEU 4417 HG 0.02 -0.03 -0.03 -0.04 1.64 1.56 1a5uG1 LEU 4417 HD13 0.16 -0.03 -0.07 -0.04 0.93 0.95 1a5uG1 LEU 4417 HD23 -0.07 -0.01 -0.30 -0.04 0.89 0.46 1a5uG1 PRO 4418 HA 0.02 0.06 0.49 -0.51 4.44 4.50 1a5uG1 PRO 4418 HB2 0.02 0.11 -0.16 -0.04 2.28 2.22 1a5uG1 PRO 4418 HB3 0.02 0.05 0.06 -0.04 2.02 2.11 1a5uG1 PRO 4418 HG2 0.03 -0.08 -0.21 -0.04 2.03 1.73 1a5uG1 PRO 4418 HG3 0.03 0.04 0.04 -0.04 2.03 2.09 1a5uG1 PRO 4418 HD2 0.02 0.08 0.07 -0.04 3.68 3.81 1a5uG1 PRO 4418 HD3 0.03 0.18 0.20 -0.04 3.65 4.02 1a5uG1 ALA 4419 H 0.02 0.12 0.15 -0.55 8.40 8.15 1a5uG1 ALA 4419 HA 0.04 0.13 0.37 -0.75 4.34 4.13 1a5uG1 ALA 4419 HB3 0.03 -0.01 0.11 -0.04 1.41 1.50 1a5uG1 VAL 4420 H 0.03 0.14 -0.18 -0.55 8.24 7.68 1a5uG1 VAL 4420 HA 0.04 0.05 0.77 -0.75 4.13 4.24 1a5uG1 VAL 4420 HB 0.03 -0.00 0.01 -0.04 2.12 2.12 1a5uG1 VAL 4420 HG13 0.03 0.01 -0.08 -0.04 0.97 0.90 1a5uG1 VAL 4420 HG23 0.03 0.00 -0.25 -0.04 0.95 0.69 1a5uG1 SER 4421 H 0.04 0.05 0.08 -0.55 8.46 8.09 1a5uG1 SER 4421 HA 0.03 0.29 0.82 -0.75 4.49 4.87 1a5uG1 SER 4421 HB2 0.04 0.01 0.14 -0.04 3.95 4.10 1a5uG1 SER 4421 HB3 0.03 0.21 -0.05 -0.04 3.93 4.09 1a5uG1 GLU 4422 H 0.03 0.23 0.17 -0.55 8.60 8.48 1a5uG1 GLU 4422 HA 0.04 0.16 0.37 -0.75 4.29 4.10 1a5uG1 GLU 4422 HB2 0.03 -0.00 0.19 -0.04 2.09 2.27 1a5uG1 GLU 4422 HB3 0.04 0.06 -0.05 -0.04 1.99 1.99 1a5uG1 GLU 4422 HG2 0.03 0.04 0.03 -0.04 2.34 2.39 1a5uG1 GLU 4422 HG3 0.03 0.02 0.04 -0.04 2.34 2.39 1a5uG1 LYS 4423 H 0.05 0.10 -0.03 -0.55 8.42 7.99 1a5uG1 LYS 4423 HA 0.06 0.14 0.42 -0.75 4.32 4.19 1a5uG1 LYS 4423 HB2 0.06 -0.04 0.11 -0.04 1.87 1.96 1a5uG1 LYS 4423 HB3 0.09 0.06 -0.06 -0.04 1.79 1.83 1a5uG1 LYS 4423 HG2 0.04 0.07 0.03 -0.04 1.46 1.56 1a5uG1 LYS 4423 HG3 0.03 0.00 0.05 -0.04 1.46 1.50 1a5uG1 LYS 4423 HD2 0.04 -0.05 0.04 -0.04 1.69 1.68 1a5uG1 LYS 4423 HD3 0.05 0.04 0.02 -0.04 1.68 1.75 1a5uG1 LYS 4423 HE2 0.02 0.01 0.01 -0.04 2.99 2.99 1a5uG1 LYS 4423 HE3 0.04 0.00 0.02 -0.04 2.99 3.01 1a5uG1 ASP 4424 H 0.06 -0.01 -0.35 -0.55 8.40 7.55 1a5uG1 ASP 4424 HA 0.07 0.02 0.40 -0.75 4.63 4.36 1a5uG1 ASP 4424 HB2 0.05 0.06 0.20 -0.04 2.71 2.97 1a5uG1 ASP 4424 HB3 0.04 0.13 0.08 -0.04 2.70 2.90 1a5uG1 ILE 4425 H 0.05 0.58 -0.08 -0.55 8.25 8.25 1a5uG1 ILE 4425 HA 0.04 0.01 0.30 -0.75 4.18 3.78 1a5uG1 ILE 4425 HB 0.05 0.09 0.15 -0.04 1.89 2.14 1a5uG1 ILE 4425 HG12 0.03 0.03 0.01 -0.04 1.49 1.53 1a5uG1 ILE 4425 HG13 0.03 -0.10 0.02 -0.04 1.21 1.13 1a5uG1 ILE 4425 HG23 0.04 0.01 -0.11 -0.04 0.93 0.83 1a5uG1 ILE 4425 HD13 0.03 0.00 -0.13 -0.04 0.88 0.74 1a5uG1 GLN 4426 H 0.08 0.50 -0.29 -0.55 8.47 8.21 1a5uG1 GLN 4426 HA 0.13 0.02 0.40 -0.75 4.36 4.15 1a5uG1 GLN 4426 HB2 0.11 0.03 0.25 -0.04 2.15 2.50 1a5uG1 GLN 4426 HB3 0.21 -0.06 0.03 -0.04 2.02 2.16 1a5uG1 GLN 4426 HG2 0.10 -0.01 0.04 -0.04 2.40 2.49 1a5uG1 GLN 4426 HG3 0.07 0.02 0.03 -0.04 2.39 2.47 1a5uG1 GLN 4426 HE21 0.02 -0.04 -0.04 -0.04 6.97 6.87 1a5uG1 GLN 4426 HE22 0.04 0.02 -0.03 -0.04 7.69 7.68 1a5uG1 ASP 4427 H 0.14 0.58 -0.02 -0.55 8.40 8.56 1a5uG1 ASP 4427 HA 0.13 0.03 0.54 -0.75 4.63 4.58 1a5uG1 ASP 4427 HB2 -0.08 -0.04 0.05 -0.04 2.71 2.59 1a5uG1 ASP 4427 HB3 -0.28 -0.04 0.06 -0.04 2.70 2.41 1a5uG1 LEU 4428 H 0.01 0.89 0.07 -0.55 8.37 8.79 1a5uG1 LEU 4428 HA -0.09 0.01 0.34 -0.75 4.35 3.86 1a5uG1 LEU 4428 HB2 0.01 0.02 0.07 -0.04 1.64 1.70 1a5uG1 LEU 4428 HB3 -0.01 0.07 -0.10 -0.04 1.64 1.55 1a5uG1 LEU 4428 HG 0.00 0.02 -0.16 -0.04 1.64 1.45 1a5uG1 LEU 4428 HD13 0.01 0.00 -0.08 -0.04 0.93 0.82 1a5uG1 LEU 4428 HD23 -0.04 -0.00 -0.07 -0.04 0.89 0.73 1a5uG1 LYS 4429 H 0.04 0.62 -0.07 -0.55 8.42 8.45 1a5uG1 LYS 4429 HA 0.00 0.05 0.36 -0.75 4.32 3.98 1a5uG1 LYS 4429 HB2 0.08 0.07 0.12 -0.04 1.87 2.10 1a5uG1 LYS 4429 HB3 0.05 -0.05 0.07 -0.04 1.79 1.82 1a5uG1 LYS 4429 HG2 0.03 -0.07 0.07 -0.04 1.46 1.45 1a5uG1 LYS 4429 HG3 0.05 -0.06 0.02 -0.04 1.46 1.43 1a5uG1 LYS 4429 HD2 0.03 -0.06 0.02 -0.04 1.69 1.63 1a5uG1 LYS 4429 HD3 0.02 0.03 0.03 -0.04 1.68 1.72 1a5uG1 LYS 4429 HE2 0.02 0.28 0.08 -0.04 2.99 3.33 1a5uG1 LYS 4429 HE3 0.03 -0.12 0.02 -0.04 2.99 2.87 1a5uG1 PHE 4430 H 0.13 0.40 -0.39 -0.55 8.34 7.93 1a5uG1 PHE 4430 HA -0.05 -0.02 0.39 -0.75 4.62 4.19 1a5uG1 PHE 4430 HB2 -0.19 0.00 0.15 -0.04 3.15 3.07 1a5uG1 PHE 4430 HB3 -0.33 0.12 0.24 -0.04 3.06 3.05 1a5uG1 PHE 4430 HD2 -0.09 0.04 -0.03 -0.04 7.28 7.16 1a5uG1 PHE 4430 HE2 0.28 -0.02 -0.05 -0.04 7.38 7.55 1a5uG1 PHE 4430 HZ 0.14 0.00 0.06 -0.04 7.32 7.48 1a5uG1 GLY 4431 H -0.09 0.58 -0.16 -0.55 8.43 8.21 1a5uG1 GLY 4431 HA2 -0.27 -0.03 0.36 -0.51 4.01 3.56 1a5uG1 GLY 4431 HA3 -0.18 0.04 0.29 -0.51 4.01 3.66 1a5uG1 VAL 4432 H -0.09 0.46 -0.09 -0.55 8.24 7.97 1a5uG1 VAL 4432 HA -0.07 0.04 0.38 -0.75 4.13 3.73 1a5uG1 VAL 4432 HB -0.04 0.09 0.13 -0.04 2.12 2.26 1a5uG1 VAL 4432 HG13 -0.03 -0.01 -0.13 -0.04 0.97 0.76 1a5uG1 VAL 4432 HG23 -0.03 0.04 0.02 -0.04 0.95 0.94 1a5uG1 GLU 4433 H -0.12 0.44 -0.22 -0.55 8.60 8.15 1a5uG1 GLU 4433 HA -0.08 0.04 0.44 -0.75 4.29 3.93 1a5uG1 GLU 4433 HB2 -0.18 0.08 0.15 -0.04 2.09 2.11 1a5uG1 GLU 4433 HB3 -0.10 -0.06 0.00 -0.04 1.99 1.79 1a5uG1 GLU 4433 HG2 -0.02 -0.03 0.02 -0.04 2.34 2.27 1a5uG1 GLU 4433 HG3 -0.02 0.08 0.03 -0.04 2.34 2.39 1a5uG1 GLN 4434 H -0.35 0.50 -0.17 -0.55 8.47 7.90 1a5uG1 GLN 4434 HA -0.20 0.07 0.69 -0.75 4.36 4.16 1a5uG1 GLN 4434 HB2 -0.43 0.01 0.08 -0.04 2.15 1.76 1a5uG1 GLN 4434 HB3 -0.20 -0.06 0.08 -0.04 2.02 1.80 1a5uG1 GLN 4434 HG2 -1.17 0.05 -0.02 -0.04 2.40 1.23 1a5uG1 GLN 4434 HG3 -0.84 -0.14 -0.04 -0.04 2.39 1.33 1a5uG1 GLN 4434 HE21 0.01 -0.02 -0.02 -0.04 6.97 6.89 1a5uG1 GLN 4434 HE22 -0.20 -0.03 -0.06 -0.04 7.69 7.36 1a5uG1 ASP 4435 H -0.12 0.23 -0.86 -0.55 8.40 7.09 1a5uG1 ASP 4435 HA -0.06 0.06 0.33 -0.75 4.63 4.21 1a5uG1 ASP 4435 HB2 -0.05 0.03 -0.06 -0.04 2.71 2.59 1a5uG1 ASP 4435 HB3 -0.04 0.06 -0.18 -0.04 2.70 2.49 1a5uG1 VAL 4436 H -0.10 0.31 -0.11 -0.55 8.24 7.79 1a5uG1 VAL 4436 HA -0.05 0.12 0.60 -0.75 4.13 4.04 1a5uG1 VAL 4436 HB -0.10 0.08 0.03 -0.04 2.12 2.09 1a5uG1 VAL 4436 HG13 -0.12 0.06 -0.13 -0.04 0.97 0.73 1a5uG1 VAL 4436 HG23 -0.12 -0.04 -0.18 -0.04 0.95 0.58 1a5uG1 ASP 4437 H -0.04 0.34 0.37 -0.55 8.40 8.53 1a5uG1 ASP 4437 HA 0.01 0.16 0.70 -0.75 4.63 4.74 1a5uG1 ASP 4437 HB2 0.01 -0.08 0.11 -0.04 2.71 2.71 1a5uG1 ASP 4437 HB3 0.04 0.04 0.08 -0.04 2.70 2.82 1a5uG1 MET 4438 H -0.09 0.33 0.18 -0.55 8.47 8.34 1a5uG1 MET 4438 HA -0.02 0.11 0.69 -0.75 4.52 4.55 1a5uG1 MET 4438 HB2 0.05 0.02 -0.04 -0.04 2.15 2.14 1a5uG1 MET 4438 HB3 0.03 0.13 -0.35 -0.04 2.03 1.80 1a5uG1 MET 4438 HG2 -0.12 -0.04 -0.18 -0.04 2.63 2.25 1a5uG1 MET 4438 HG3 -0.22 -0.12 -0.47 -0.04 2.56 1.71 1a5uG1 MET 4438 HE3 0.07 0.01 -0.23 -0.04 2.10 1.91 1a5uG1 VAL 4439 H -0.00 1.10 0.35 -0.55 8.24 9.13 1a5uG1 VAL 4439 HA -0.21 0.08 1.25 -0.75 4.13 4.49 1a5uG1 VAL 4439 HB -0.02 0.11 0.01 -0.04 2.12 2.18 1a5uG1 VAL 4439 HG13 -0.02 -0.02 -0.38 -0.04 0.97 0.51 1a5uG1 VAL 4439 HG23 -0.11 -0.00 -0.20 -0.04 0.95 0.60 1a5uG1 PHE 4440 H -0.19 0.59 0.21 -0.55 8.34 8.40 1a5uG1 PHE 4440 HA -0.01 0.38 0.73 -0.75 4.62 4.96 1a5uG1 PHE 4440 HB2 0.01 -0.15 0.10 -0.04 3.15 3.07 1a5uG1 PHE 4440 HB3 -0.01 -0.02 -0.11 -0.04 3.06 2.88 1a5uG1 PHE 4440 HD2 -0.00 -0.01 -0.36 -0.04 7.28 6.86 1a5uG1 PHE 4440 HE2 -0.01 0.03 -0.31 -0.04 7.38 7.05 1a5uG1 PHE 4440 HZ -0.01 0.07 -0.30 -0.04 7.32 7.04 1a5uG1 ALA 4441 H 0.11 0.76 0.23 -0.55 8.40 8.96 1a5uG1 ALA 4441 HA 0.07 0.00 0.67 -0.75 4.34 4.32 1a5uG1 ALA 4441 HB3 0.04 0.01 -0.02 -0.04 1.41 1.41 1a5uG1 SER 4442 H 0.09 0.09 0.08 -0.55 8.46 8.18 1a5uG1 SER 4442 HA 0.01 0.01 0.41 -0.75 4.49 4.18 1a5uG1 SER 4442 HB2 0.23 0.17 -0.26 -0.04 3.95 4.05 1a5uG1 SER 4442 HB3 0.12 -0.11 0.01 -0.04 3.93 3.91 1a5uG1 PHE 4443 H -0.25 0.08 0.11 -0.55 8.34 7.72 1a5uG1 PHE 4443 HA 0.01 -0.03 0.31 -0.75 4.62 4.15 1a5uG1 PHE 4443 HB2 0.01 0.07 -0.22 -0.04 3.15 2.96 1a5uG1 PHE 4443 HB3 0.01 -0.01 0.16 -0.04 3.06 3.17 1a5uG1 PHE 4443 HD2 0.01 -0.02 -0.15 -0.04 7.28 7.08 1a5uG1 PHE 4443 HE2 -0.00 0.01 -0.05 -0.04 7.38 7.30 1a5uG1 PHE 4443 HZ -0.01 -0.03 -0.01 -0.04 7.32 7.23 1a5uG1 ILE 4444 H 0.01 0.20 -0.15 -0.55 8.25 7.77 1a5uG1 ILE 4444 HA 0.05 0.00 0.40 -0.75 4.18 3.88 1a5uG1 ILE 4444 HB 0.00 0.03 -0.01 -0.04 1.89 1.87 1a5uG1 ILE 4444 HG12 0.03 0.14 -0.12 -0.04 1.49 1.50 1a5uG1 ILE 4444 HG13 0.01 0.01 -0.04 -0.04 1.21 1.15 1a5uG1 ILE 4444 HG23 -0.02 -0.03 -0.11 -0.04 0.93 0.73 1a5uG1 ILE 4444 HD13 0.03 -0.01 -0.18 -0.04 0.88 0.67 1a5uG1 ARG 4445 H 0.04 0.02 0.26 -0.55 8.46 8.22 1a5uG1 ARG 4445 HA 0.05 0.21 1.02 -0.75 4.34 4.86 1a5uG1 ARG 4445 HB2 0.04 -0.03 0.05 -0.04 1.90 1.93 1a5uG1 ARG 4445 HB3 0.05 -0.07 0.06 -0.04 1.80 1.79 1a5uG1 ARG 4445 HG2 0.12 -0.16 -0.12 -0.04 1.67 1.47 1a5uG1 ARG 4445 HG3 0.12 0.44 -0.23 -0.04 1.67 1.96 1a5uG1 ARG 4445 HD2 0.05 -0.05 0.02 -0.04 3.22 3.20 1a5uG1 ARG 4445 HD3 0.09 -0.01 0.01 -0.04 3.22 3.28 1a5uG1 LYS 4446 H -0.00 0.09 0.17 -0.55 8.42 8.12 1a5uG1 LYS 4446 HA -0.02 0.27 0.45 -0.75 4.32 4.26 1a5uG1 LYS 4446 HB2 -0.01 -0.04 0.16 -0.04 1.87 1.95 1a5uG1 LYS 4446 HB3 0.01 0.26 -0.16 -0.04 1.79 1.85 1a5uG1 LYS 4446 HG2 0.00 -0.14 -0.02 -0.04 1.46 1.26 1a5uG1 LYS 4446 HG3 -0.00 -0.19 -0.10 -0.04 1.46 1.12 1a5uG1 LYS 4446 HD2 0.02 0.03 -0.03 -0.04 1.69 1.67 1a5uG1 LYS 4446 HD3 0.01 0.12 -0.07 -0.04 1.68 1.71 1a5uG1 LYS 4446 HE2 0.02 -0.02 -0.07 -0.04 2.99 2.88 1a5uG1 LYS 4446 HE3 0.02 -0.07 -0.02 -0.04 2.99 2.88 1a5uG1 ALA 4447 H -0.06 0.23 0.08 -0.55 8.40 8.11 1a5uG1 ALA 4447 HA -0.23 0.21 0.32 -0.75 4.34 3.89 1a5uG1 ALA 4447 HB3 -0.09 0.03 0.05 -0.04 1.41 1.35 1a5uG1 ALA 4448 H -0.03 0.09 -0.16 -0.55 8.40 7.75 1a5uG1 ALA 4448 HA 0.21 0.11 0.38 -0.75 4.34 4.29 1a5uG1 ALA 4448 HB3 0.06 0.02 0.03 -0.04 1.41 1.48 1a5uG1 ASP 4449 H -0.03 0.13 -0.24 -0.55 8.40 7.71 1a5uG1 ASP 4449 HA 0.01 -0.00 0.34 -0.75 4.63 4.23 1a5uG1 ASP 4449 HB2 -0.00 0.09 0.07 -0.04 2.71 2.83 1a5uG1 ASP 4449 HB3 0.02 0.07 0.07 -0.04 2.70 2.81 1a5uG1 VAL 4450 H -0.13 0.33 -0.26 -0.55 8.24 7.63 1a5uG1 VAL 4450 HA -0.04 -0.00 0.31 -0.75 4.13 3.65 1a5uG1 VAL 4450 HB -0.31 0.21 0.14 -0.04 2.12 2.12 1a5uG1 VAL 4450 HG13 -0.05 0.02 -0.17 -0.04 0.97 0.73 1a5uG1 VAL 4450 HG23 -0.10 0.02 -0.00 -0.04 0.95 0.83 1a5uG1 HIS 4451 H -0.23 0.39 -0.08 -0.55 8.41 7.93 1a5uG1 HIS 4451 HA 0.00 0.10 0.45 -0.75 4.63 4.43 1a5uG1 HIS 4451 HB2 0.00 0.13 0.25 -0.04 3.26 3.60 1a5uG1 HIS 4451 HB3 0.00 -0.04 0.04 -0.04 3.20 3.16 1a5uG1 HIS 4451 HD2 -0.00 0.06 -0.01 -0.04 6.97 6.98 1a5uG1 HIS 4451 HE1 -0.01 -0.05 -0.10 -0.04 7.75 7.54 1a5uG1 GLU 4452 H 0.09 0.66 -0.06 -0.55 8.60 8.74 1a5uG1 GLU 4452 HA 0.06 0.01 0.33 -0.75 4.29 3.94 1a5uG1 GLU 4452 HB2 0.04 0.18 0.06 -0.04 2.09 2.32 1a5uG1 GLU 4452 HB3 0.04 -0.08 -0.03 -0.04 1.99 1.88 1a5uG1 GLU 4452 HG2 0.05 -0.02 0.02 -0.04 2.34 2.36 1a5uG1 GLU 4452 HG3 0.05 0.20 -0.05 -0.04 2.34 2.50 1a5uG1 VAL 4453 H 0.03 0.47 -0.34 -0.55 8.24 7.86 1a5uG1 VAL 4453 HA 0.02 -0.05 0.54 -0.75 4.13 3.89 1a5uG1 VAL 4453 HB 0.02 0.19 0.05 -0.04 2.12 2.34 1a5uG1 VAL 4453 HG13 0.01 -0.02 -0.10 -0.04 0.97 0.83 1a5uG1 VAL 4453 HG23 0.02 0.04 -0.04 -0.04 0.95 0.93 1a5uG1 ARG 4454 H 0.05 0.41 -0.22 -0.55 8.46 8.15 1a5uG1 ARG 4454 HA 0.03 0.09 0.46 -0.75 4.34 4.17 1a5uG1 ARG 4454 HB2 0.07 0.08 0.16 -0.04 1.90 2.16 1a5uG1 ARG 4454 HB3 0.07 0.06 0.21 -0.04 1.80 2.10 1a5uG1 ARG 4454 HG2 0.05 -0.03 -0.00 -0.04 1.67 1.65 1a5uG1 ARG 4454 HG3 0.03 -0.06 -0.12 -0.04 1.67 1.48 1a5uG1 ARG 4454 HD2 0.03 0.04 0.02 -0.04 3.22 3.27 1a5uG1 ARG 4454 HD3 0.03 -0.01 0.07 -0.04 3.22 3.28 1a5uG1 LYS 4455 H 0.05 0.58 -0.08 -0.55 8.42 8.41 1a5uG1 LYS 4455 HA 0.02 -0.00 0.32 -0.75 4.32 3.91 1a5uG1 LYS 4455 HB2 0.03 0.15 0.19 -0.04 1.87 2.21 1a5uG1 LYS 4455 HB3 0.02 -0.06 0.01 -0.04 1.79 1.72 1a5uG1 LYS 4455 HG2 0.05 0.38 -0.02 -0.04 1.46 1.83 1a5uG1 LYS 4455 HG3 0.03 -0.09 -0.03 -0.04 1.46 1.33 1a5uG1 LYS 4455 HD2 0.01 -0.04 -0.01 -0.04 1.69 1.61 1a5uG1 LYS 4455 HD3 0.02 0.00 -0.01 -0.04 1.68 1.64 1a5uG1 LYS 4455 HE2 0.01 -0.05 -0.08 -0.04 2.99 2.83 1a5uG1 LYS 4455 HE3 -0.02 -0.03 -0.03 -0.04 2.99 2.87 1a5uG1 ILE 4456 H 0.02 0.48 -0.08 -0.55 8.25 8.13 1a5uG1 ILE 4456 HA 0.02 -0.02 0.31 -0.75 4.18 3.73 1a5uG1 ILE 4456 HB 0.02 0.08 0.06 -0.04 1.89 2.01 1a5uG1 ILE 4456 HG12 0.03 0.51 0.19 -0.04 1.49 2.17 1a5uG1 ILE 4456 HG13 0.03 -0.15 -0.01 -0.04 1.21 1.04 1a5uG1 ILE 4456 HG23 0.02 -0.04 -0.10 -0.04 0.93 0.77 1a5uG1 ILE 4456 HD13 0.02 -0.03 -0.01 -0.04 0.88 0.82 1a5uG1 LEU 4457 H 0.01 0.48 -0.28 -0.55 8.37 8.04 1a5uG1 LEU 4457 HA -0.00 -0.07 0.41 -0.75 4.35 3.94 1a5uG1 LEU 4457 HB2 0.01 0.17 -0.00 -0.04 1.64 1.78 1a5uG1 LEU 4457 HB3 -0.01 -0.02 0.07 -0.04 1.64 1.64 1a5uG1 LEU 4457 HG -0.00 0.06 0.06 -0.04 1.64 1.72 1a5uG1 LEU 4457 HD13 -0.00 -0.01 -0.08 -0.04 0.93 0.81 1a5uG1 LEU 4457 HD23 -0.03 -0.05 -0.08 -0.04 0.89 0.69 1a5uG1 GLY 4458 H 0.01 0.33 -0.47 -0.55 8.43 7.76 1a5uG1 GLY 4458 HA2 0.01 0.06 0.31 -0.51 4.01 3.88 1a5uG1 GLY 4458 HA3 0.01 -0.06 0.26 -0.51 4.01 3.71 1a5uG1 GLU 4459 H 0.01 0.11 0.15 -0.55 8.60 8.32 1a5uG1 GLU 4459 HA 0.01 0.07 0.26 -0.75 4.29 3.88 1a5uG1 GLU 4459 HB2 0.01 -0.00 0.13 -0.04 2.09 2.18 1a5uG1 GLU 4459 HB3 0.00 -0.02 0.09 -0.04 1.99 2.03 1a5uG1 GLU 4459 HG2 0.00 -0.01 -0.03 -0.04 2.34 2.26 1a5uG1 GLU 4459 HG3 0.00 0.03 -0.06 -0.04 2.34 2.27 1a5uG1 LYS 4460 H 0.00 0.09 -0.19 -0.55 8.42 7.77 1a5uG1 LYS 4460 HA -0.00 0.05 0.55 -0.75 4.32 4.16 1a5uG1 LYS 4460 HB2 -0.00 -0.09 0.10 -0.04 1.87 1.84 1a5uG1 LYS 4460 HB3 -0.00 0.10 0.04 -0.04 1.79 1.89 1a5uG1 LYS 4460 HG2 -0.01 0.05 0.04 -0.04 1.46 1.50 1a5uG1 LYS 4460 HG3 -0.00 -0.03 0.09 -0.04 1.46 1.47 1a5uG1 LYS 4460 HD2 -0.00 -0.05 0.01 -0.04 1.69 1.61 1a5uG1 LYS 4460 HD3 -0.00 -0.00 -0.01 -0.04 1.68 1.63 1a5uG1 LYS 4460 HE2 -0.02 0.08 -0.06 -0.04 2.99 2.96 1a5uG1 LYS 4460 HE3 -0.01 -0.02 -0.01 -0.04 2.99 2.91 1a5uG1 GLY 4461 H -0.00 0.69 -0.26 -0.55 8.43 8.32 1a5uG1 GLY 4461 HA2 -0.01 0.15 0.91 -0.51 4.01 4.55 1a5uG1 GLY 4461 HA3 -0.01 -0.04 0.33 -0.51 4.01 3.78 1a5uG1 LYS 4462 H 0.01 0.30 -0.38 -0.55 8.42 7.79 1a5uG1 LYS 4462 HA 0.01 0.13 0.38 -0.75 4.32 4.08 1a5uG1 LYS 4462 HB2 0.01 -0.05 0.03 -0.04 1.87 1.83 1a5uG1 LYS 4462 HB3 0.01 0.00 0.01 -0.04 1.79 1.77 1a5uG1 LYS 4462 HG2 0.01 0.23 0.07 -0.04 1.46 1.72 1a5uG1 LYS 4462 HG3 0.01 -0.02 -0.15 -0.04 1.46 1.27 1a5uG1 LYS 4462 HD2 0.01 -0.03 -0.08 -0.04 1.69 1.55 1a5uG1 LYS 4462 HD3 0.01 -0.05 -0.02 -0.04 1.68 1.59 1a5uG1 LYS 4462 HE2 0.01 0.13 0.04 -0.04 2.99 3.13 1a5uG1 LYS 4462 HE3 0.01 -0.04 -0.00 -0.04 2.99 2.92 1a5uG1 ASN 4463 H 0.01 0.09 -0.27 -0.55 8.53 7.81 1a5uG1 ASN 4463 HA 0.03 0.16 0.58 -0.75 4.76 4.77 1a5uG1 ASN 4463 HB2 0.02 0.02 0.02 -0.04 2.88 2.90 1a5uG1 ASN 4463 HB3 0.03 -0.01 0.09 -0.04 2.79 2.87 1a5uG1 ASN 4463 HD21 0.02 -0.03 -0.02 -0.04 7.03 6.95 1a5uG1 ASN 4463 HD22 0.02 0.01 0.00 -0.04 7.74 7.73 1a5uG1 ILE 4464 H 0.01 0.28 -0.54 -0.55 8.25 7.45 1a5uG1 ILE 4464 HA 0.01 0.28 0.73 -0.75 4.18 4.45 1a5uG1 ILE 4464 HB -0.01 0.12 0.01 -0.04 1.89 1.98 1a5uG1 ILE 4464 HG12 -0.03 0.21 -0.29 -0.04 1.49 1.34 1a5uG1 ILE 4464 HG13 -0.01 -0.10 -0.22 -0.04 1.21 0.84 1a5uG1 ILE 4464 HG23 -0.02 -0.04 -0.43 -0.04 0.93 0.40 1a5uG1 ILE 4464 HD13 -0.04 -0.04 -0.08 -0.04 0.88 0.67 1a5uG1 LYS 4465 H 0.03 0.45 0.32 -0.55 8.42 8.66 1a5uG1 LYS 4465 HA 0.04 0.13 0.52 -0.75 4.32 4.26 1a5uG1 LYS 4465 HB2 0.05 -0.12 0.01 -0.04 1.87 1.77 1a5uG1 LYS 4465 HB3 0.05 0.00 -0.06 -0.04 1.79 1.74 1a5uG1 LYS 4465 HG2 0.06 0.14 0.14 -0.04 1.46 1.76 1a5uG1 LYS 4465 HG3 0.08 0.04 -0.00 -0.04 1.46 1.54 1a5uG1 LYS 4465 HD2 0.09 -0.02 -0.03 -0.04 1.69 1.69 1a5uG1 LYS 4465 HD3 0.07 0.06 -0.15 -0.04 1.68 1.63 1a5uG1 LYS 4465 HE2 0.13 -0.00 -0.01 -0.04 2.99 3.07 1a5uG1 LYS 4465 HE3 0.18 0.04 -0.03 -0.04 2.99 3.15 1a5uG1 ILE 4466 H 0.03 0.21 0.17 -0.55 8.25 8.11 1a5uG1 ILE 4466 HA 0.04 0.20 1.10 -0.75 4.18 4.77 1a5uG1 ILE 4466 HB 0.02 0.02 0.23 -0.04 1.89 2.12 1a5uG1 ILE 4466 HG12 0.01 -0.03 -0.17 -0.04 1.49 1.26 1a5uG1 ILE 4466 HG13 0.02 0.21 -0.16 -0.04 1.21 1.23 1a5uG1 ILE 4466 HG23 0.02 -0.03 -0.16 -0.04 0.93 0.72 1a5uG1 ILE 4466 HD13 0.02 0.00 -0.14 -0.04 0.88 0.72 1a5uG1 ILE 4467 H 0.12 0.66 0.13 -0.55 8.25 8.61 1a5uG1 ILE 4467 HA 0.03 0.24 0.63 -0.75 4.18 4.32 1a5uG1 ILE 4467 HB 0.35 -0.06 -0.08 -0.04 1.89 2.06 1a5uG1 ILE 4467 HG12 0.20 -0.02 -0.33 -0.04 1.49 1.30 1a5uG1 ILE 4467 HG13 0.15 0.02 -0.31 -0.04 1.21 1.03 1a5uG1 ILE 4467 HG23 -0.14 -0.03 -0.58 -0.04 0.93 0.14 1a5uG1 ILE 4467 HD13 0.01 0.00 -0.46 -0.04 0.88 0.39 1a5uG1 SER 4468 H 0.00 0.70 0.32 -0.55 8.46 8.94 1a5uG1 SER 4468 HA 0.02 -0.01 0.59 -0.75 4.49 4.34 1a5uG1 SER 4468 HB2 -0.00 0.10 0.06 -0.04 3.95 4.07 1a5uG1 SER 4468 HB3 -0.00 -0.08 -0.11 -0.04 3.93 3.69 1a5uG1 LYS 4469 H -0.01 0.52 0.26 -0.55 8.42 8.64 1a5uG1 LYS 4469 HA -0.07 0.22 0.83 -0.75 4.32 4.54 1a5uG1 LYS 4469 HB2 -0.07 -0.09 0.06 -0.04 1.87 1.73 1a5uG1 LYS 4469 HB3 -0.12 -0.07 -0.15 -0.04 1.79 1.40 1a5uG1 LYS 4469 HG2 -0.07 0.07 -0.33 -0.04 1.46 1.09 1a5uG1 LYS 4469 HG3 0.03 0.07 -0.39 -0.04 1.46 1.13 1a5uG1 LYS 4469 HD2 -0.03 0.00 -0.24 -0.04 1.69 1.38 1a5uG1 LYS 4469 HD3 0.12 0.01 -0.39 -0.04 1.68 1.39 1a5uG1 LYS 4469 HE2 -0.01 -0.09 -0.18 -0.04 2.99 2.66 1a5uG1 LYS 4469 HE3 -0.08 -0.04 -0.17 -0.04 2.99 2.66 1a5uG1 ILE 4470 H -0.08 0.66 0.31 -0.55 8.25 8.59 1a5uG1 ILE 4470 HA -0.07 0.16 0.86 -0.75 4.18 4.38 1a5uG1 ILE 4470 HB -0.09 -0.03 0.18 -0.04 1.89 1.90 1a5uG1 ILE 4470 HG12 0.03 0.06 -0.04 -0.04 1.49 1.50 1a5uG1 ILE 4470 HG13 0.04 0.05 -0.08 -0.04 1.21 1.18 1a5uG1 ILE 4470 HG23 -0.06 -0.03 -0.24 -0.04 0.93 0.56 1a5uG1 ILE 4470 HD13 0.13 0.05 -0.23 -0.04 0.88 0.79 1a5uG1 GLU 4471 H -0.22 0.22 0.12 -0.55 8.60 8.18 1a5uG1 GLU 4471 HA -0.19 0.25 0.75 -0.75 4.29 4.35 1a5uG1 GLU 4471 HB2 -0.54 -0.01 0.09 -0.04 2.09 1.59 1a5uG1 GLU 4471 HB3 -0.29 0.04 0.08 -0.04 1.99 1.78 1a5uG1 GLU 4471 HG2 -0.41 0.02 -0.41 -0.04 2.34 1.49 1a5uG1 GLU 4471 HG3 -1.29 0.03 -0.02 -0.04 2.34 1.02 1a5uG1 ASN 4472 H -0.09 0.25 0.09 -0.55 8.53 8.24 1a5uG1 ASN 4472 HA -0.02 0.19 0.41 -0.75 4.76 4.59 1a5uG1 ASN 4472 HB2 0.15 0.01 0.20 -0.04 2.88 3.20 1a5uG1 ASN 4472 HB3 0.22 0.22 -0.23 -0.04 2.79 2.96 1a5uG1 ASN 4472 HD21 0.11 0.05 -0.00 -0.04 7.03 7.14 1a5uG1 ASN 4472 HD22 0.13 0.04 0.03 -0.04 7.74 7.90 1a5uG1 HIS 4473 H 0.13 0.27 0.11 -0.55 8.41 8.37 1a5uG1 HIS 4473 HA -0.01 0.10 0.32 -0.75 4.63 4.28 1a5uG1 HIS 4473 HB2 0.01 -0.02 0.17 -0.04 3.26 3.39 1a5uG1 HIS 4473 HB3 0.00 0.05 -0.06 -0.04 3.20 3.16 1a5uG1 HIS 4473 HD2 0.00 0.12 0.11 -0.04 6.97 7.15 1a5uG1 HIS 4473 HE1 -0.02 0.01 0.03 -0.04 7.75 7.73 1a5uG1 GLU 4474 H 0.12 0.12 -0.06 -0.55 8.60 8.24 1a5uG1 GLU 4474 HA 0.07 0.10 0.49 -0.75 4.29 4.19 1a5uG1 GLU 4474 HB2 0.07 -0.04 0.14 -0.04 2.09 2.22 1a5uG1 GLU 4474 HB3 0.06 0.09 0.03 -0.04 1.99 2.13 1a5uG1 GLU 4474 HG2 0.04 0.03 0.08 -0.04 2.34 2.45 1a5uG1 GLU 4474 HG3 0.03 -0.01 0.05 -0.04 2.34 2.37 1a5uG1 GLY 4475 H 0.06 0.02 -0.23 -0.55 8.43 7.73 1a5uG1 GLY 4475 HA2 0.04 0.09 0.26 -0.51 4.01 3.89 1a5uG1 GLY 4475 HA3 0.02 0.00 0.31 -0.51 4.01 3.83 1a5uG1 VAL 4476 H 0.01 0.29 -0.33 -0.55 8.24 7.66 1a5uG1 VAL 4476 HA 0.02 0.07 0.41 -0.75 4.13 3.87 1a5uG1 VAL 4476 HB -0.04 0.05 0.11 -0.04 2.12 2.20 1a5uG1 VAL 4476 HG13 -0.09 0.00 -0.11 -0.04 0.97 0.74 1a5uG1 VAL 4476 HG23 -0.11 0.02 -0.10 -0.04 0.95 0.71 1a5uG1 ARG 4477 H 0.05 0.75 0.06 -0.55 8.46 8.77 1a5uG1 ARG 4477 HA 0.04 -0.00 0.39 -0.75 4.34 4.02 1a5uG1 ARG 4477 HB2 0.07 0.10 0.15 -0.04 1.90 2.18 1a5uG1 ARG 4477 HB3 0.05 0.03 0.23 -0.04 1.80 2.07 1a5uG1 ARG 4477 HG2 0.03 -0.00 -0.00 -0.04 1.67 1.65 1a5uG1 ARG 4477 HG3 0.04 -0.02 0.06 -0.04 1.67 1.71 1a5uG1 ARG 4477 HD2 0.01 -0.00 -0.00 -0.04 3.22 3.19 1a5uG1 ARG 4477 HD3 0.03 -0.05 -0.05 -0.04 3.22 3.12 1a5uG1 ARG 4478 H 0.06 0.58 -0.42 -0.55 8.46 8.13 1a5uG1 ARG 4478 HA 0.02 0.11 0.83 -0.75 4.34 4.55 1a5uG1 ARG 4478 HB2 0.02 0.08 -0.02 -0.04 1.90 1.93 1a5uG1 ARG 4478 HB3 0.00 -0.19 0.18 -0.04 1.80 1.75 1a5uG1 ARG 4478 HG2 0.02 -0.04 -0.15 -0.04 1.67 1.46 1a5uG1 ARG 4478 HG3 0.03 0.33 0.09 -0.04 1.67 2.08 1a5uG1 ARG 4478 HD2 0.02 -0.10 0.04 -0.04 3.22 3.14 1a5uG1 ARG 4478 HD3 0.01 0.44 0.24 -0.04 3.22 3.88 1a5uG1 PHE 4479 H 0.17 0.58 -0.31 -0.55 8.34 8.23 1a5uG1 PHE 4479 HA -0.03 0.05 0.37 -0.75 4.62 4.25 1a5uG1 PHE 4479 HB2 -0.04 0.09 0.20 -0.04 3.15 3.35 1a5uG1 PHE 4479 HB3 -0.03 0.02 0.13 -0.04 3.06 3.14 1a5uG1 PHE 4479 HD2 -0.04 -0.02 -0.08 -0.04 7.28 7.10 1a5uG1 PHE 4479 HE2 -0.05 0.02 -0.10 -0.04 7.38 7.21 1a5uG1 PHE 4479 HZ -0.05 0.12 -0.13 -0.04 7.32 7.22 1a5uG1 ASP 4480 H -0.01 0.17 -0.17 -0.55 8.40 7.85 1a5uG1 ASP 4480 HA -0.45 0.15 0.40 -0.75 4.63 3.97 1a5uG1 ASP 4480 HB2 -0.04 -0.05 0.09 -0.04 2.71 2.68 1a5uG1 ASP 4480 HB3 -0.08 0.06 0.00 -0.04 2.70 2.65 1a5uG1 GLU 4481 H -0.10 0.15 -0.14 -0.55 8.60 7.96 1a5uG1 GLU 4481 HA -0.08 0.10 0.37 -0.75 4.29 3.92 1a5uG1 GLU 4481 HB2 -0.04 -0.03 0.12 -0.04 2.09 2.09 1a5uG1 GLU 4481 HB3 -0.04 0.03 0.12 -0.04 1.99 2.06 1a5uG1 GLU 4481 HG2 -0.05 0.19 0.12 -0.04 2.34 2.57 1a5uG1 GLU 4481 HG3 -0.07 -0.01 -0.14 -0.04 2.34 2.09 1a5uG1 ILE 4482 H -0.18 0.36 -0.51 -0.55 8.25 7.37 1a5uG1 ILE 4482 HA -0.14 -0.10 0.25 -0.75 4.18 3.44 1a5uG1 ILE 4482 HB -0.16 0.20 0.08 -0.04 1.89 1.97 1a5uG1 ILE 4482 HG12 -0.06 -0.33 -0.40 -0.04 1.49 0.66 1a5uG1 ILE 4482 HG13 -0.05 0.62 -0.12 -0.04 1.21 1.62 1a5uG1 ILE 4482 HG23 -0.05 -0.02 -0.21 -0.04 0.93 0.61 1a5uG1 ILE 4482 HD13 0.02 0.03 -0.48 -0.04 0.88 0.40 1a5uG1 LEU 4483 H -0.54 0.83 0.02 -0.55 8.37 8.13 1a5uG1 LEU 4483 HA -0.23 -0.02 0.25 -0.75 4.35 3.60 1a5uG1 LEU 4483 HB2 -1.30 -0.05 -0.00 -0.04 1.64 0.25 1a5uG1 LEU 4483 HB3 -0.48 0.10 0.12 -0.04 1.64 1.33 1a5uG1 LEU 4483 HG -0.15 0.04 -0.21 -0.04 1.64 1.28 1a5uG1 LEU 4483 HD13 -0.07 0.00 -0.07 -0.04 0.93 0.75 1a5uG1 LEU 4483 HD23 0.05 -0.01 -0.18 -0.04 0.89 0.71 1a5uG1 GLU 4484 H -0.18 0.52 -0.15 -0.55 8.60 8.24 1a5uG1 GLU 4484 HA -0.07 0.09 0.43 -0.75 4.29 3.99 1a5uG1 GLU 4484 HB2 -0.06 -0.03 0.07 -0.04 2.09 2.03 1a5uG1 GLU 4484 HB3 -0.08 -0.05 0.16 -0.04 1.99 1.98 1a5uG1 GLU 4484 HG2 -0.01 -0.12 -0.03 -0.04 2.34 2.14 1a5uG1 GLU 4484 HG3 -0.00 0.04 -0.38 -0.04 2.34 1.96 1a5uG1 ALA 4485 H -0.10 0.38 -0.26 -0.55 8.40 7.88 1a5uG1 ALA 4485 HA 0.01 0.01 0.29 -0.75 4.34 3.90 1a5uG1 ALA 4485 HB3 -0.16 -0.06 0.12 -0.04 1.41 1.27 1a5uG1 SER 4486 H -0.08 0.25 -0.39 -0.55 8.46 7.69 1a5uG1 SER 4486 HA -0.02 0.28 1.51 -0.75 4.49 5.50 1a5uG1 SER 4486 HB2 -0.03 -0.03 0.14 -0.04 3.95 3.99 1a5uG1 SER 4486 HB3 -0.01 0.07 0.30 -0.04 3.93 4.25 1a5uG1 ASP 4487 H 0.01 0.32 0.35 -0.55 8.40 8.53 1a5uG1 ASP 4487 HA 0.03 0.15 0.59 -0.75 4.63 4.65 1a5uG1 ASP 4487 HB2 0.03 -0.07 0.01 -0.04 2.71 2.64 1a5uG1 ASP 4487 HB3 0.05 0.04 0.05 -0.04 2.70 2.80 1a5uG1 GLY 4488 H -0.01 0.17 0.16 -0.55 8.43 8.21 1a5uG1 GLY 4488 HA2 -0.04 0.25 0.39 -0.51 4.01 4.11 1a5uG1 GLY 4488 HA3 -0.05 0.03 0.24 -0.51 4.01 3.72 1a5uG1 ILE 4489 H -0.05 0.75 0.27 -0.55 8.25 8.67 1a5uG1 ILE 4489 HA -0.02 0.22 1.03 -0.75 4.18 4.66 1a5uG1 ILE 4489 HB 0.06 0.05 -0.00 -0.04 1.89 1.95 1a5uG1 ILE 4489 HG12 0.03 -0.11 -0.82 -0.04 1.49 0.55 1a5uG1 ILE 4489 HG13 0.19 0.06 -0.18 -0.04 1.21 1.24 1a5uG1 ILE 4489 HG23 0.09 -0.02 -0.16 -0.04 0.93 0.79 1a5uG1 ILE 4489 HD13 0.10 -0.02 -0.15 -0.04 0.88 0.77 1a5uG1 MET 4490 H -0.06 0.64 0.24 -0.55 8.47 8.74 1a5uG1 MET 4490 HA -0.16 0.24 1.02 -0.75 4.52 4.87 1a5uG1 MET 4490 HB2 -0.32 0.06 -0.30 -0.04 2.15 1.55 1a5uG1 MET 4490 HB3 -0.16 -0.12 -0.14 -0.04 2.03 1.56 1a5uG1 MET 4490 HG2 -0.16 0.08 -0.56 -0.04 2.63 1.95 1a5uG1 MET 4490 HG3 -0.27 0.05 -0.26 -0.04 2.56 2.04 1a5uG1 MET 4490 HE3 -0.54 0.02 -0.25 -0.04 2.10 1.29 1a5uG1 VAL 4491 H -0.12 1.04 0.30 -0.55 8.24 8.92 1a5uG1 VAL 4491 HA -0.12 0.11 0.85 -0.75 4.13 4.22 1a5uG1 VAL 4491 HB -0.10 -0.09 0.31 -0.04 2.12 2.21 1a5uG1 VAL 4491 HG13 -0.12 -0.02 -0.06 -0.04 0.97 0.74 1a5uG1 VAL 4491 HG23 -0.13 0.06 -0.01 -0.04 0.95 0.84 1a5uG1 ALA 4492 H -0.12 0.52 0.07 -0.55 8.40 8.32 1a5uG1 ALA 4492 HA -0.10 0.08 0.72 -0.75 4.34 4.29 1a5uG1 ALA 4492 HB3 -0.14 -0.02 -0.10 -0.04 1.41 1.11 1a5uG1 ARG 4493 H -0.07 0.54 0.06 -0.55 8.46 8.44 1a5uG1 ARG 4493 HA -0.07 0.06 0.34 -0.75 4.34 3.91 1a5uG1 ARG 4493 HB2 -0.04 0.21 0.18 -0.04 1.90 2.21 1a5uG1 ARG 4493 HB3 -0.04 -0.03 0.03 -0.04 1.80 1.72 1a5uG1 ARG 4493 HG2 -0.04 -0.02 -0.02 -0.04 1.67 1.55 1a5uG1 ARG 4493 HG3 -0.07 -0.09 -0.06 -0.04 1.67 1.41 1a5uG1 ARG 4493 HD2 -0.05 -0.10 0.11 -0.04 3.22 3.13 1a5uG1 ARG 4493 HD3 -0.04 0.50 0.21 -0.04 3.22 3.85 1a5uG1 GLY 4494 H -0.04 0.05 -0.24 -0.55 8.43 7.66 1a5uG1 GLY 4494 HA2 -0.01 0.14 0.32 -0.51 4.01 3.94 1a5uG1 GLY 4494 HA3 -0.01 -0.04 0.26 -0.51 4.01 3.71 1a5uG1 ASP 4495 H -0.05 0.08 -0.09 -0.55 8.40 7.80 1a5uG1 ASP 4495 HA 0.02 0.03 0.35 -0.75 4.63 4.27 1a5uG1 ASP 4495 HB2 -0.16 -0.03 0.09 -0.04 2.71 2.57 1a5uG1 ASP 4495 HB3 -0.05 0.17 -0.00 -0.04 2.70 2.78 1a5uG1 LEU 4496 H -0.10 0.43 -0.27 -0.55 8.37 7.88 1a5uG1 LEU 4496 HA -0.10 0.02 0.25 -0.75 4.35 3.77 1a5uG1 LEU 4496 HB2 -0.13 0.06 0.08 -0.04 1.64 1.60 1a5uG1 LEU 4496 HB3 -0.10 0.02 -0.02 -0.04 1.64 1.50 1a5uG1 LEU 4496 HG -0.12 0.02 -0.32 -0.04 1.64 1.18 1a5uG1 LEU 4496 HD13 -0.14 -0.05 -0.27 -0.04 0.93 0.43 1a5uG1 LEU 4496 HD23 -0.13 0.01 -0.18 -0.04 0.89 0.56 1a5uG1 GLY 4497 H -0.06 0.61 -0.27 -0.55 8.43 8.17 1a5uG1 GLY 4497 HA2 -0.06 -0.04 0.28 -0.51 4.01 3.69 1a5uG1 GLY 4497 HA3 -0.05 0.08 0.28 -0.51 4.01 3.81 1a5uG1 ILE 4498 H -0.06 0.19 -0.39 -0.55 8.25 7.44 1a5uG1 ILE 4498 HA -0.16 0.19 0.80 -0.75 4.18 4.26 1a5uG1 ILE 4498 HB -0.10 -0.02 -0.28 -0.04 1.89 1.44 1a5uG1 ILE 4498 HG12 -0.00 0.11 0.03 -0.04 1.49 1.59 1a5uG1 ILE 4498 HG13 -0.02 -0.22 -0.18 -0.04 1.21 0.76 1a5uG1 ILE 4498 HG23 -0.46 -0.01 -0.12 -0.04 0.93 0.30 1a5uG1 ILE 4498 HD13 -0.04 0.03 -0.18 -0.04 0.88 0.65 1a5uG1 GLU 4499 H -0.03 0.51 0.06 -0.55 8.60 8.59 1a5uG1 GLU 4499 HA 0.04 -0.03 0.55 -0.75 4.29 4.10 1a5uG1 GLU 4499 HB2 -0.02 0.06 0.12 -0.04 2.09 2.21 1a5uG1 GLU 4499 HB3 0.07 -0.29 0.18 -0.04 1.99 1.91 1a5uG1 GLU 4499 HG2 0.09 0.13 0.17 -0.04 2.34 2.68 1a5uG1 GLU 4499 HG3 0.19 0.27 0.22 -0.04 2.34 2.97 1a5uG1 ILE 4500 H -0.10 0.60 -0.18 -0.55 8.25 8.02 1a5uG1 ILE 4500 HA -0.07 0.16 0.74 -0.75 4.18 4.26 1a5uG1 ILE 4500 HB -0.56 -0.01 0.09 -0.04 1.89 1.37 1a5uG1 ILE 4500 HG12 -0.14 0.13 -0.51 -0.04 1.49 0.93 1a5uG1 ILE 4500 HG13 -0.18 -0.05 -0.07 -0.04 1.21 0.87 1a5uG1 ILE 4500 HG23 -0.46 0.00 -0.26 -0.04 0.93 0.17 1a5uG1 ILE 4500 HD13 -0.20 -0.03 -0.22 -0.04 0.88 0.39 1a5uG1 PRO 4501 HA -0.03 0.13 0.48 -0.51 4.44 4.52 1a5uG1 PRO 4501 HB2 -0.00 -0.11 0.03 -0.04 2.28 2.15 1a5uG1 PRO 4501 HB3 0.00 0.07 0.11 -0.04 2.02 2.16 1a5uG1 PRO 4501 HG2 0.01 0.03 0.07 -0.04 2.03 2.10 1a5uG1 PRO 4501 HG3 0.03 0.09 0.06 -0.04 2.03 2.17 1a5uG1 PRO 4501 HD2 -0.04 0.05 0.16 -0.04 3.68 3.81 1a5uG1 PRO 4501 HD3 0.06 0.18 0.13 -0.04 3.65 3.97 1a5uG1 ALA 4502 H -0.03 0.21 0.24 -0.55 8.40 8.27 1a5uG1 ALA 4502 HA -0.02 0.14 0.47 -0.75 4.34 4.17 1a5uG1 ALA 4502 HB3 -0.01 0.02 0.15 -0.04 1.41 1.53 1a5uG1 GLU 4503 H 0.02 0.08 -0.24 -0.55 8.60 7.91 1a5uG1 GLU 4503 HA 0.10 0.11 0.35 -0.75 4.29 4.10 1a5uG1 GLU 4503 HB2 0.09 0.04 0.10 -0.04 2.09 2.28 1a5uG1 GLU 4503 HB3 0.04 -0.00 0.06 -0.04 1.99 2.05 1a5uG1 GLU 4503 HG2 0.04 0.04 -0.24 -0.04 2.34 2.14 1a5uG1 GLU 4503 HG3 0.04 0.03 -0.04 -0.04 2.34 2.34 1a5uG1 LYS 4504 H -0.01 0.71 -0.46 -0.55 8.42 8.10 1a5uG1 LYS 4504 HA -0.14 0.14 0.75 -0.75 4.32 4.31 1a5uG1 LYS 4504 HB2 -0.08 0.17 0.07 -0.04 1.87 1.99 1a5uG1 LYS 4504 HB3 -0.13 -0.05 0.02 -0.04 1.79 1.59 1a5uG1 LYS 4504 HG2 -0.07 0.03 -0.03 -0.04 1.46 1.35 1a5uG1 LYS 4504 HG3 -0.01 -0.09 -0.19 -0.04 1.46 1.13 1a5uG1 LYS 4504 HD2 -0.01 0.00 0.02 -0.04 1.69 1.66 1a5uG1 LYS 4504 HD3 -0.03 0.00 0.00 -0.04 1.68 1.61 1a5uG1 LYS 4504 HE2 0.00 -0.01 -0.05 -0.04 2.99 2.90 1a5uG1 LYS 4504 HE3 0.01 0.00 -0.01 -0.04 2.99 2.96 1a5uG1 VAL 4505 H -0.03 0.43 -0.10 -0.55 8.24 7.99 1a5uG1 VAL 4505 HA -0.13 -0.01 0.24 -0.75 4.13 3.47 1a5uG1 VAL 4505 HB 0.01 0.14 0.06 -0.04 2.12 2.29 1a5uG1 VAL 4505 HG13 -0.04 -0.02 -0.14 -0.04 0.97 0.73 1a5uG1 VAL 4505 HG23 -0.06 0.05 -0.11 -0.04 0.95 0.79 1a5uG1 PHE 4506 H 0.15 0.24 -0.29 -0.55 8.34 7.89 1a5uG1 PHE 4506 HA -0.06 0.10 0.57 -0.75 4.62 4.48 1a5uG1 PHE 4506 HB2 -0.04 0.06 0.03 -0.04 3.15 3.16 1a5uG1 PHE 4506 HB3 -0.04 0.02 0.03 -0.04 3.06 3.03 1a5uG1 PHE 4506 HD2 -0.04 -0.00 -0.18 -0.04 7.28 7.02 1a5uG1 PHE 4506 HE2 -0.03 0.14 0.02 -0.04 7.38 7.48 1a5uG1 PHE 4506 HZ -0.02 -0.00 0.00 -0.04 7.32 7.26 1a5uG1 LEU 4507 H -1.20 0.29 -0.13 -0.55 8.37 6.78 1a5uG1 LEU 4507 HA -0.52 0.10 0.51 -0.75 4.35 3.69 1a5uG1 LEU 4507 HB2 -0.47 0.32 0.22 -0.04 1.64 1.67 1a5uG1 LEU 4507 HB3 -0.33 -0.02 -0.03 -0.04 1.64 1.22 1a5uG1 LEU 4507 HG -1.44 -0.02 0.09 -0.04 1.64 0.23 1a5uG1 LEU 4507 HD13 -0.22 -0.01 0.06 -0.04 0.93 0.72 1a5uG1 LEU 4507 HD23 -0.26 0.00 0.03 -0.04 0.89 0.62 1a5uG1 ALA 4508 H -0.29 0.31 -0.19 -0.55 8.40 7.68 1a5uG1 ALA 4508 HA -0.20 0.07 0.41 -0.75 4.34 3.87 1a5uG1 ALA 4508 HB3 -0.18 0.03 -0.02 -0.04 1.41 1.21 1a5uG1 GLN 4509 H -0.14 0.38 -0.25 -0.55 8.47 7.91 1a5uG1 GLN 4509 HA -0.14 -0.00 0.40 -0.75 4.36 3.87 1a5uG1 GLN 4509 HB2 -0.06 -0.04 0.10 -0.04 2.15 2.10 1a5uG1 GLN 4509 HB3 -0.02 0.00 0.20 -0.04 2.02 2.16 1a5uG1 GLN 4509 HG2 -0.03 0.09 -0.34 -0.04 2.40 2.08 1a5uG1 GLN 4509 HG3 -0.06 -0.05 -0.01 -0.04 2.39 2.23 1a5uG1 GLN 4509 HE21 -0.01 0.01 -0.04 -0.04 6.97 6.88 1a5uG1 GLN 4509 HE22 -0.02 0.08 -0.05 -0.04 7.69 7.66 1a5uG1 LYS 4510 H -0.09 0.46 -0.26 -0.55 8.42 7.97 1a5uG1 LYS 4510 HA -0.06 0.12 0.53 -0.75 4.32 4.16 1a5uG1 LYS 4510 HB2 -0.04 0.05 0.19 -0.04 1.87 2.03 1a5uG1 LYS 4510 HB3 -0.03 0.01 0.02 -0.04 1.79 1.75 1a5uG1 LYS 4510 HG2 0.01 0.04 0.02 -0.04 1.46 1.50 1a5uG1 LYS 4510 HG3 0.05 -0.04 0.05 -0.04 1.46 1.47 1a5uG1 LYS 4510 HD2 0.26 -0.02 -0.04 -0.04 1.69 1.85 1a5uG1 LYS 4510 HD3 0.08 -0.00 -0.01 -0.04 1.68 1.71 1a5uG1 LYS 4510 HE2 0.12 -0.05 -0.03 -0.04 2.99 3.00 1a5uG1 LYS 4510 HE3 0.13 -0.06 -0.04 -0.04 2.99 2.98 1a5uG1 MET 4511 H -0.15 0.52 -0.15 -0.55 8.47 8.14 1a5uG1 MET 4511 HA -0.11 0.06 0.42 -0.75 4.52 4.14 1a5uG1 MET 4511 HB2 -0.13 0.01 0.11 -0.04 2.15 2.10 1a5uG1 MET 4511 HB3 -0.19 0.04 0.17 -0.04 2.03 2.00 1a5uG1 MET 4511 HG2 -0.09 -0.00 0.00 -0.04 2.63 2.49 1a5uG1 MET 4511 HG3 -0.10 -0.04 -0.02 -0.04 2.56 2.36 1a5uG1 MET 4511 HE3 -0.14 -0.01 -0.03 -0.04 2.10 1.89 1a5uG1 ILE 4512 H -0.28 0.51 -0.22 -0.55 8.25 7.71 1a5uG1 ILE 4512 HA -0.80 0.01 0.40 -0.75 4.18 3.04 1a5uG1 ILE 4512 HB -0.29 0.05 0.13 -0.04 1.89 1.74 1a5uG1 ILE 4512 HG12 -1.09 -0.06 -0.01 -0.04 1.49 0.30 1a5uG1 ILE 4512 HG13 -0.41 0.36 0.15 -0.04 1.21 1.27 1a5uG1 ILE 4512 HG23 -0.38 -0.02 -0.24 -0.04 0.93 0.25 1a5uG1 ILE 4512 HD13 -0.32 -0.05 -0.07 -0.04 0.88 0.40 1a5uG1 ILE 4513 H -0.15 0.55 -0.13 -0.55 8.25 7.96 1a5uG1 ILE 4513 HA -0.07 -0.03 0.33 -0.75 4.18 3.65 1a5uG1 ILE 4513 HB -0.07 0.08 0.10 -0.04 1.89 1.96 1a5uG1 ILE 4513 HG12 -0.09 -0.16 -0.04 -0.04 1.49 1.16 1a5uG1 ILE 4513 HG13 -0.09 0.46 0.15 -0.04 1.21 1.69 1a5uG1 ILE 4513 HG23 -0.04 0.01 -0.36 -0.04 0.93 0.49 1a5uG1 ILE 4513 HD13 -0.05 -0.04 -0.07 -0.04 0.88 0.68 1a5uG1 GLY 4514 H -0.08 0.69 -0.25 -0.55 8.43 8.25 1a5uG1 GLY 4514 HA2 -0.04 0.08 0.40 -0.51 4.01 3.93 1a5uG1 GLY 4514 HA3 -0.05 0.01 0.34 -0.51 4.01 3.80 1a5uG1 ARG 4515 H -0.04 0.65 -0.14 -0.55 8.46 8.38 1a5uG1 ARG 4515 HA 0.04 0.03 0.47 -0.75 4.34 4.12 1a5uG1 ARG 4515 HB2 0.31 0.06 0.10 -0.04 1.90 2.33 1a5uG1 ARG 4515 HB3 0.27 -0.09 0.05 -0.04 1.80 1.99 1a5uG1 ARG 4515 HG2 0.07 -0.04 0.01 -0.04 1.67 1.66 1a5uG1 ARG 4515 HG3 0.01 0.26 0.11 -0.04 1.67 2.01 1a5uG1 ARG 4515 HD2 0.26 -0.04 -0.08 -0.04 3.22 3.33 1a5uG1 ARG 4515 HD3 0.27 -0.07 -0.02 -0.04 3.22 3.36 1a5uG1 CYS 4516 H 0.03 0.48 -0.22 -0.55 8.50 8.25 1a5uG1 CYS 4516 HA 0.07 -0.02 0.56 -0.75 4.58 4.43 1a5uG1 CYS 4516 HB2 -0.00 0.03 0.10 -0.04 2.97 3.06 1a5uG1 CYS 4516 HB3 0.00 0.44 -0.02 -0.04 2.97 3.35 1a5uG1 ASN 4517 H -0.01 0.54 -0.06 -0.55 8.53 8.45 1a5uG1 ASN 4517 HA -0.03 0.08 0.46 -0.75 4.76 4.52 1a5uG1 ASN 4517 HB2 -0.03 0.12 0.23 -0.04 2.88 3.17 1a5uG1 ASN 4517 HB3 -0.03 -0.02 -0.03 -0.04 2.79 2.67 1a5uG1 ASN 4517 HD21 -0.02 0.38 0.07 -0.04 7.03 7.41 1a5uG1 ASN 4517 HD22 -0.02 -0.17 -0.05 -0.04 7.74 7.46 1a5uG1 ARG 4518 H -0.01 0.39 -0.20 -0.55 8.46 8.08 1a5uG1 ARG 4518 HA -0.04 0.05 0.39 -0.75 4.34 3.99 1a5uG1 ARG 4518 HB2 -0.02 0.03 0.11 -0.04 1.90 1.98 1a5uG1 ARG 4518 HB3 -0.00 0.05 0.12 -0.04 1.80 1.93 1a5uG1 ARG 4518 HG2 -0.02 0.00 -0.16 -0.04 1.67 1.45 1a5uG1 ARG 4518 HG3 -0.03 -0.01 0.06 -0.04 1.67 1.64 1a5uG1 ARG 4518 HD2 -0.03 -0.05 0.01 -0.04 3.22 3.11 1a5uG1 ARG 4518 HD3 -0.02 -0.01 -0.01 -0.04 3.22 3.14 1a5uG1 ALA 4519 H -0.00 0.24 -0.37 -0.55 8.40 7.72 1a5uG1 ALA 4519 HA -0.01 0.08 0.71 -0.75 4.34 4.36 1a5uG1 ALA 4519 HB3 -0.00 -0.04 0.07 -0.04 1.41 1.39 1a5uG1 GLY 4520 H -0.02 0.65 -0.05 -0.55 8.43 8.47 1a5uG1 GLY 4520 HA2 -0.03 0.07 0.29 -0.51 4.01 3.83 1a5uG1 GLY 4520 HA3 -0.01 0.14 0.93 -0.51 4.01 4.57 1a5uG1 LYS 4521 H 0.01 0.18 0.09 -0.55 8.42 8.14 1a5uG1 LYS 4521 HA 0.05 0.24 0.94 -0.75 4.32 4.79 1a5uG1 LYS 4521 HB2 0.00 -0.12 0.01 -0.04 1.87 1.72 1a5uG1 LYS 4521 HB3 -0.01 0.03 -0.13 -0.04 1.79 1.63 1a5uG1 LYS 4521 HG2 0.04 0.07 -0.06 -0.04 1.46 1.46 1a5uG1 LYS 4521 HG3 0.03 -0.05 -0.36 -0.04 1.46 1.03 1a5uG1 LYS 4521 HD2 -0.02 -0.14 -0.11 -0.04 1.69 1.38 1a5uG1 LYS 4521 HD3 -0.02 -0.03 -0.12 -0.04 1.68 1.47 1a5uG1 LYS 4521 HE2 0.01 -0.02 0.08 -0.04 2.99 3.03 1a5uG1 LYS 4521 HE3 0.01 -0.16 -0.03 -0.04 2.99 2.77 1a5uG1 PRO 4522 HA -0.20 0.06 0.47 -0.51 4.44 4.26 1a5uG1 PRO 4522 HB2 -0.29 -0.17 -0.03 -0.04 2.28 1.75 1a5uG1 PRO 4522 HB3 -0.55 0.48 0.07 -0.04 2.02 1.98 1a5uG1 PRO 4522 HG2 -0.44 -0.02 0.05 -0.04 2.03 1.58 1a5uG1 PRO 4522 HG3 -2.00 0.03 -0.04 -0.04 2.03 -0.03 1a5uG1 PRO 4522 HD2 -0.07 0.32 0.34 -0.04 3.68 4.23 1a5uG1 PRO 4522 HD3 0.02 0.22 0.24 -0.04 3.65 4.08 1a5uG1 VAL 4523 H -0.11 0.19 0.35 -0.55 8.24 8.12 1a5uG1 VAL 4523 HA -0.08 0.17 0.98 -0.75 4.13 4.45 1a5uG1 VAL 4523 HB -0.03 0.14 -0.05 -0.04 2.12 2.14 1a5uG1 VAL 4523 HG13 -0.06 0.00 -0.02 -0.04 0.97 0.86 1a5uG1 VAL 4523 HG23 -0.06 -0.04 -0.14 -0.04 0.95 0.66 1a5uG1 ILE 4524 H -0.11 0.47 0.27 -0.55 8.25 8.33 1a5uG1 ILE 4524 HA -0.11 0.31 0.98 -0.75 4.18 4.61 1a5uG1 ILE 4524 HB -0.23 -0.16 0.05 -0.04 1.89 1.50 1a5uG1 ILE 4524 HG12 -0.15 0.10 -0.23 -0.04 1.49 1.16 1a5uG1 ILE 4524 HG13 -0.17 0.05 -0.50 -0.04 1.21 0.55 1a5uG1 ILE 4524 HG23 -0.18 -0.03 -0.41 -0.04 0.93 0.27 1a5uG1 ILE 4524 HD13 -0.38 -0.03 -0.29 -0.04 0.88 0.13 1a5uG1 CYS 4525 H -0.08 0.75 0.28 -0.55 8.50 8.91 1a5uG1 CYS 4525 HA -0.08 0.08 1.00 -0.75 4.58 4.83 1a5uG1 CYS 4525 HB2 -0.06 0.06 0.08 -0.04 2.97 3.01 1a5uG1 CYS 4525 HB3 -0.05 0.07 0.20 -0.04 2.97 3.15 1a5uG1 ALA 4526 H -0.07 0.42 0.30 -0.55 8.40 8.50 1a5uG1 ALA 4526 HA -0.05 0.16 1.06 -0.75 4.34 4.75 1a5uG1 ALA 4526 HB3 -0.09 0.01 -0.16 -0.04 1.41 1.13 1a5uG1 THR 4527 H -0.02 0.12 0.05 -0.55 8.28 7.88 1a5uG1 THR 4527 HA -0.00 -0.18 0.45 -0.75 4.39 3.90 1a5uG1 THR 4527 HB -0.03 0.32 0.24 -0.04 4.32 4.80 1a5uG1 THR 4527 HG23 -0.01 -0.00 -0.13 -0.04 1.22 1.04 1a5uG1 GLN 4528 H 0.00 -0.02 0.15 -0.55 8.47 8.06 1a5uG1 GLN 4528 HA 0.00 -0.07 0.32 -0.75 4.36 3.85 1a5uG1 GLN 4528 HB2 -0.01 0.32 -0.18 -0.04 2.15 2.24 1a5uG1 GLN 4528 HB3 -0.00 0.04 0.21 -0.04 2.02 2.23 1a5uG1 GLN 4528 HG2 0.01 -0.03 0.03 -0.04 2.40 2.37 1a5uG1 GLN 4528 HG3 0.01 -0.14 -0.08 -0.04 2.39 2.14 1a5uG1 GLN 4528 HE21 0.00 0.16 -0.03 -0.04 6.97 7.06 1a5uG1 GLN 4528 HE22 0.01 -0.10 -0.05 -0.04 7.69 7.51 1a5uG1 MET 4529 H -0.00 -0.01 -0.21 -0.55 8.47 7.70 1a5uG1 MET 4529 HA -0.01 0.21 0.46 -0.75 4.52 4.42 1a5uG1 MET 4529 HB2 -0.00 0.01 0.08 -0.04 2.15 2.20 1a5uG1 MET 4529 HB3 -0.01 0.11 -0.04 -0.04 2.03 2.05 1a5uG1 MET 4529 HG2 -0.02 0.09 -0.25 -0.04 2.63 2.42 1a5uG1 MET 4529 HG3 -0.02 -0.21 -0.36 -0.04 2.56 1.93 1a5uG1 MET 4529 HE3 -0.02 0.02 -0.13 -0.04 2.10 1.93 1a5uG1 LEU 4530 H 0.00 -0.01 -0.15 -0.55 8.37 7.67 1a5uG1 LEU 4530 HA 0.00 0.27 0.90 -0.75 4.35 4.77 1a5uG1 LEU 4530 HB2 0.01 -0.05 0.03 -0.04 1.64 1.59 1a5uG1 LEU 4530 HB3 0.01 0.03 0.11 -0.04 1.64 1.75 1a5uG1 LEU 4530 HG 0.01 -0.05 -0.22 -0.04 1.64 1.33 1a5uG1 LEU 4530 HD13 0.01 0.03 -0.05 -0.04 0.93 0.89 1a5uG1 LEU 4530 HD23 0.00 0.09 -0.23 -0.04 0.89 0.71 1a5uG1 GLU 4531 H 0.00 0.37 -0.58 -0.55 8.60 7.85 1a5uG1 GLU 4531 HA 0.01 -0.06 0.26 -0.75 4.29 3.74 1a5uG1 GLU 4531 HB2 0.00 0.04 0.07 -0.04 2.09 2.16 1a5uG1 GLU 4531 HB3 0.00 0.03 0.06 -0.04 1.99 2.04 1a5uG1 GLU 4531 HG2 0.01 0.11 -0.02 -0.04 2.34 2.40 1a5uG1 GLU 4531 HG3 0.01 0.05 -0.17 -0.04 2.34 2.18 1a5uG1 SER 4532 H 0.00 0.10 -0.12 -0.55 8.46 7.90 1a5uG1 SER 4532 HA 0.01 0.07 0.38 -0.75 4.49 4.19 1a5uG1 SER 4532 HB2 -0.00 0.09 0.10 -0.04 3.95 4.10 1a5uG1 SER 4532 HB3 -0.00 -0.02 0.12 -0.04 3.93 3.99 1a5uG1 MET 4533 H 0.02 0.39 -0.57 -0.55 8.47 7.76 1a5uG1 MET 4533 HA 0.05 0.24 0.40 -0.75 4.52 4.45 1a5uG1 MET 4533 HB2 0.03 0.04 0.05 -0.04 2.15 2.23 1a5uG1 MET 4533 HB3 0.06 0.10 0.08 -0.04 2.03 2.23 1a5uG1 MET 4533 HG2 -0.02 0.04 -0.52 -0.04 2.63 2.09 1a5uG1 MET 4533 HG3 -0.00 -0.19 -0.16 -0.04 2.56 2.17 1a5uG1 MET 4533 HE3 -0.02 0.03 -0.28 -0.04 2.10 1.79 1a5uG1 ILE 4534 H 0.04 0.36 -0.48 -0.55 8.25 7.62 1a5uG1 ILE 4534 HA 0.04 0.02 0.65 -0.75 4.18 4.13 1a5uG1 ILE 4534 HB 0.01 0.09 0.09 -0.04 1.89 2.04 1a5uG1 ILE 4534 HG12 0.00 -0.01 -0.23 -0.04 1.49 1.21 1a5uG1 ILE 4534 HG13 0.02 -0.04 -0.22 -0.04 1.21 0.94 1a5uG1 ILE 4534 HG23 -0.02 0.00 -0.15 -0.04 0.93 0.72 1a5uG1 ILE 4534 HD13 0.01 0.05 -0.02 -0.04 0.88 0.87 1a5uG1 LYS 4535 H 0.06 0.27 0.02 -0.55 8.42 8.21 1a5uG1 LYS 4535 HA 0.07 0.17 0.89 -0.75 4.32 4.69 1a5uG1 LYS 4535 HB2 0.03 0.03 0.08 -0.04 1.87 1.96 1a5uG1 LYS 4535 HB3 0.03 0.02 0.06 -0.04 1.79 1.85 1a5uG1 LYS 4535 HG2 -0.02 -0.11 -0.14 -0.04 1.46 1.15 1a5uG1 LYS 4535 HG3 -0.04 -0.01 -0.04 -0.04 1.46 1.34 1a5uG1 LYS 4535 HD2 -0.03 0.05 -0.00 -0.04 1.69 1.67 1a5uG1 LYS 4535 HD3 -0.04 0.06 -0.29 -0.04 1.68 1.37 1a5uG1 LYS 4535 HE2 -0.14 -0.05 -0.07 -0.04 2.99 2.70 1a5uG1 LYS 4535 HE3 -0.12 0.01 -0.04 -0.04 2.99 2.80 1a5uG1 LYS 4536 H 0.08 0.34 0.22 -0.55 8.42 8.51 1a5uG1 LYS 4536 HA 0.03 0.27 0.97 -0.75 4.32 4.84 1a5uG1 LYS 4536 HB2 -0.02 -0.01 0.00 -0.04 1.87 1.81 1a5uG1 LYS 4536 HB3 -0.07 -0.03 0.11 -0.04 1.79 1.76 1a5uG1 LYS 4536 HG2 -0.01 0.01 0.00 -0.04 1.46 1.41 1a5uG1 LYS 4536 HG3 0.03 0.10 -0.19 -0.04 1.46 1.35 1a5uG1 LYS 4536 HD2 0.02 -0.07 -0.06 -0.04 1.69 1.53 1a5uG1 LYS 4536 HD3 -0.00 -0.03 -0.00 -0.04 1.68 1.60 1a5uG1 LYS 4536 HE2 0.00 0.01 -0.02 -0.04 2.99 2.94 1a5uG1 LYS 4536 HE3 0.01 0.04 -0.04 -0.04 2.99 2.96 1a5uG1 PRO 4537 HA -0.92 0.14 0.55 -0.51 4.44 3.70 1a5uG1 PRO 4537 HB2 -0.29 0.04 -0.02 -0.04 2.28 1.97 1a5uG1 PRO 4537 HB3 -0.75 0.04 0.06 -0.04 2.02 1.33 1a5uG1 PRO 4537 HG2 -0.19 0.03 0.04 -0.04 2.03 1.87 1a5uG1 PRO 4537 HG3 -0.30 0.06 0.04 -0.04 2.03 1.79 1a5uG1 PRO 4537 HD2 -0.17 0.06 0.19 -0.04 3.68 3.72 1a5uG1 PRO 4537 HD3 -0.17 0.15 0.23 -0.04 3.65 3.82 1a5uG1 ARG 4538 H -0.15 0.12 -0.11 -0.55 8.46 7.76 1a5uG1 ARG 4538 HA -0.08 0.27 0.86 -0.75 4.34 4.64 1a5uG1 ARG 4538 HB2 -0.07 -0.09 0.01 -0.04 1.90 1.71 1a5uG1 ARG 4538 HB3 -0.05 0.11 0.00 -0.04 1.80 1.82 1a5uG1 ARG 4538 HG2 -0.05 0.07 -0.02 -0.04 1.67 1.63 1a5uG1 ARG 4538 HG3 -0.10 -0.02 -0.55 -0.04 1.67 0.95 1a5uG1 ARG 4538 HD2 -0.04 0.01 -0.04 -0.04 3.22 3.11 1a5uG1 ARG 4538 HD3 -0.05 0.03 -0.06 -0.04 3.22 3.09 1a5uG1 PRO 4539 HA -0.02 -0.04 0.39 -0.51 4.44 4.26 1a5uG1 PRO 4539 HB2 -0.01 0.06 -0.04 -0.04 2.28 2.24 1a5uG1 PRO 4539 HB3 -0.01 -0.05 0.03 -0.04 2.02 1.95 1a5uG1 PRO 4539 HG2 -0.01 0.08 -0.01 -0.04 2.03 2.04 1a5uG1 PRO 4539 HG3 -0.01 0.07 -0.00 -0.04 2.03 2.05 1a5uG1 PRO 4539 HD2 -0.03 0.13 0.16 -0.04 3.68 3.90 1a5uG1 PRO 4539 HD3 -0.03 0.23 0.13 -0.04 3.65 3.93 1a5uG1 THR 4540 H -0.01 -0.06 0.13 -0.55 8.28 7.79 1a5uG1 THR 4540 HA -0.01 0.25 0.48 -0.75 4.39 4.35 1a5uG1 THR 4540 HB -0.01 0.04 0.20 -0.04 4.32 4.51 1a5uG1 THR 4540 HG23 -0.01 0.03 0.07 -0.04 1.22 1.27 1a5uG1 ARG 4541 H -0.01 0.16 0.18 -0.55 8.46 8.24 1a5uG1 ARG 4541 HA -0.01 0.24 0.57 -0.75 4.34 4.38 1a5uG1 ARG 4541 HB2 -0.02 -0.05 0.13 -0.04 1.90 1.93 1a5uG1 ARG 4541 HB3 -0.02 0.09 0.03 -0.04 1.80 1.86 1a5uG1 ARG 4541 HG2 -0.01 -0.03 0.06 -0.04 1.67 1.65 1a5uG1 ARG 4541 HG3 -0.01 0.07 0.02 -0.04 1.67 1.71 1a5uG1 ARG 4541 HD2 -0.02 0.06 -0.03 -0.04 3.22 3.20 1a5uG1 ARG 4541 HD3 -0.02 -0.03 -0.27 -0.04 3.22 2.86 1a5uG1 ALA 4542 H -0.01 0.05 0.04 -0.55 8.40 7.93 1a5uG1 ALA 4542 HA -0.02 0.15 0.39 -0.75 4.34 4.11 1a5uG1 ALA 4542 HB3 -0.02 0.02 0.08 -0.04 1.41 1.45 1a5uG1 GLU 4543 H -0.01 -0.05 -0.43 -0.55 8.60 7.56 1a5uG1 GLU 4543 HA -0.01 0.15 0.46 -0.75 4.29 4.14 1a5uG1 GLU 4543 HB2 -0.01 -0.07 0.07 -0.04 2.09 2.03 1a5uG1 GLU 4543 HB3 -0.01 0.12 0.04 -0.04 1.99 2.11 1a5uG1 GLU 4543 HG2 -0.00 0.27 -0.01 -0.04 2.34 2.56 1a5uG1 GLU 4543 HG3 -0.01 -0.01 0.01 -0.04 2.34 2.29 1a5uG1 GLY 4544 H -0.01 0.30 -0.26 -0.55 8.43 7.91 1a5uG1 GLY 4544 HA2 -0.01 0.03 0.32 -0.51 4.01 3.84 1a5uG1 GLY 4544 HA3 -0.01 0.10 0.29 -0.51 4.01 3.87 1a5uG1 SER 4545 H -0.01 0.35 -0.45 -0.55 8.46 7.80 1a5uG1 SER 4545 HA -0.01 0.06 0.42 -0.75 4.49 4.21 1a5uG1 SER 4545 HB2 -0.02 -0.01 0.06 -0.04 3.95 3.94 1a5uG1 SER 4545 HB3 -0.02 0.07 0.15 -0.04 3.93 4.08 1a5uG1 ASP 4546 H -0.01 0.52 -0.08 -0.55 8.40 8.28 1a5uG1 ASP 4546 HA -0.01 -0.02 0.32 -0.75 4.63 4.16 1a5uG1 ASP 4546 HB2 -0.01 0.05 0.20 -0.04 2.71 2.91 1a5uG1 ASP 4546 HB3 -0.01 0.07 0.21 -0.04 2.70 2.93 1a5uG1 VAL 4547 H -0.01 0.48 -0.07 -0.55 8.24 8.10 1a5uG1 VAL 4547 HA -0.01 -0.02 0.41 -0.75 4.13 3.76 1a5uG1 VAL 4547 HB -0.01 0.10 0.09 -0.04 2.12 2.26 1a5uG1 VAL 4547 HG13 -0.00 0.02 -0.13 -0.04 0.97 0.81 1a5uG1 VAL 4547 HG23 -0.00 0.01 -0.07 -0.04 0.95 0.85 1a5uG1 ALA 4548 H -0.01 0.43 -0.18 -0.55 8.40 8.09 1a5uG1 ALA 4548 HA -0.00 0.05 0.25 -0.75 4.34 3.89 1a5uG1 ALA 4548 HB3 -0.00 0.03 0.10 -0.04 1.41 1.49 1a5uG1 ASN 4549 H -0.00 0.72 -0.02 -0.55 8.53 8.68 1a5uG1 ASN 4549 HA 0.01 0.01 0.41 -0.75 4.76 4.44 1a5uG1 ASN 4549 HB2 -0.01 0.13 0.11 -0.04 2.88 3.08 1a5uG1 ASN 4549 HB3 0.00 -0.08 -0.04 -0.04 2.79 2.63 1a5uG1 ASN 4549 HD21 -0.01 -0.06 -0.02 -0.04 7.03 6.90 1a5uG1 ASN 4549 HD22 -0.02 -0.06 -0.13 -0.04 7.74 7.50 1a5uG1 ALA 4550 H -0.01 0.60 -0.31 -0.55 8.40 8.13 1a5uG1 ALA 4550 HA -0.01 -0.03 0.50 -0.75 4.34 4.04 1a5uG1 ALA 4550 HB3 -0.02 -0.01 0.11 -0.04 1.41 1.45 1a5uG1 VAL 4551 H -0.00 0.49 -0.15 -0.55 8.24 8.02 1a5uG1 VAL 4551 HA -0.01 0.09 0.41 -0.75 4.13 3.86 1a5uG1 VAL 4551 HB 0.00 0.12 0.11 -0.04 2.12 2.31 1a5uG1 VAL 4551 HG13 0.01 0.03 -0.17 -0.04 0.97 0.81 1a5uG1 VAL 4551 HG23 -0.01 0.03 -0.04 -0.04 0.95 0.89 1a5uG1 LEU 4552 H 0.01 0.52 -0.02 -0.55 8.37 8.33 1a5uG1 LEU 4552 HA 0.02 0.11 0.29 -0.75 4.35 4.02 1a5uG1 LEU 4552 HB2 0.03 -0.03 0.11 -0.04 1.64 1.70 1a5uG1 LEU 4552 HB3 0.05 -0.06 -0.14 -0.04 1.64 1.45 1a5uG1 LEU 4552 HG 0.10 -0.03 -0.02 -0.04 1.64 1.64 1a5uG1 LEU 4552 HD13 0.04 0.01 -0.12 -0.04 0.93 0.83 1a5uG1 LEU 4552 HD23 0.04 -0.02 -0.11 -0.04 0.89 0.75 1a5uG1 ASP 4553 H 0.00 0.44 -0.39 -0.55 8.40 7.91 1a5uG1 ASP 4553 HA -0.01 -0.04 0.42 -0.75 4.63 4.25 1a5uG1 ASP 4553 HB2 -0.01 0.19 0.19 -0.04 2.71 3.03 1a5uG1 ASP 4553 HB3 -0.02 -0.11 -0.00 -0.04 2.70 2.52 1a5uG1 GLY 4554 H -0.01 0.28 -0.44 -0.55 8.43 7.72 1a5uG1 GLY 4554 HA2 -0.01 0.11 0.18 -0.51 4.01 3.78 1a5uG1 GLY 4554 HA3 -0.02 0.13 0.85 -0.51 4.01 4.46 1a5uG1 ALA 4555 H -0.03 0.33 0.09 -0.55 8.40 8.25 1a5uG1 ALA 4555 HA -0.05 -0.05 0.31 -0.75 4.34 3.79 1a5uG1 ALA 4555 HB3 -0.05 -0.01 -0.02 -0.04 1.41 1.29 1a5uG1 ASP 4556 H -0.07 0.17 0.36 -0.55 8.40 8.32 1a5uG1 ASP 4556 HA -0.03 0.10 0.49 -0.75 4.63 4.44 1a5uG1 ASP 4556 HB2 -0.12 0.04 0.28 -0.04 2.71 2.86 1a5uG1 ASP 4556 HB3 -0.09 0.06 0.03 -0.04 2.70 2.66 1a5uG1 CYS 4557 H -0.07 0.27 0.17 -0.55 8.50 8.32 1a5uG1 CYS 4557 HA -0.05 0.28 0.94 -0.75 4.58 5.01 1a5uG1 CYS 4557 HB2 -0.10 -0.13 -0.04 -0.04 2.97 2.66 1a5uG1 CYS 4557 HB3 -0.06 -0.05 -0.10 -0.04 2.97 2.72 1a5uG1 ILE 4558 H -0.04 0.91 0.34 -0.55 8.25 8.92 1a5uG1 ILE 4558 HA -0.05 0.15 0.92 -0.75 4.18 4.45 1a5uG1 ILE 4558 HB -0.02 -0.12 0.07 -0.04 1.89 1.78 1a5uG1 ILE 4558 HG12 -0.02 0.28 0.01 -0.04 1.49 1.72 1a5uG1 ILE 4558 HG13 -0.01 -0.13 -0.20 -0.04 1.21 0.84 1a5uG1 ILE 4558 HG23 -0.03 0.02 -0.17 -0.04 0.93 0.70 1a5uG1 ILE 4558 HD13 -0.01 0.01 -0.13 -0.04 0.88 0.71 1a5uG1 MET 4559 H -0.03 0.29 0.31 -0.55 8.47 8.48 1a5uG1 MET 4559 HA -0.01 0.38 1.17 -0.75 4.52 5.31 1a5uG1 MET 4559 HB2 -0.07 0.13 -0.11 -0.04 2.15 2.07 1a5uG1 MET 4559 HB3 -0.03 -0.35 -0.01 -0.04 2.03 1.60 1a5uG1 MET 4559 HG2 0.03 -0.07 -0.14 -0.04 2.63 2.41 1a5uG1 MET 4559 HG3 0.01 0.12 -0.08 -0.04 2.56 2.58 1a5uG1 MET 4559 HE3 0.01 -0.07 -0.16 -0.04 2.10 1.84 1a5uG1 LEU 4560 H 0.02 0.88 0.38 -0.55 8.37 9.11 1a5uG1 LEU 4560 HA 0.01 -0.05 0.86 -0.75 4.35 4.41 1a5uG1 LEU 4560 HB2 0.03 0.16 0.11 -0.04 1.64 1.89 1a5uG1 LEU 4560 HB3 0.03 -0.11 -0.10 -0.04 1.64 1.42 1a5uG1 LEU 4560 HG 0.02 0.12 -0.29 -0.04 1.64 1.45 1a5uG1 LEU 4560 HD13 0.03 0.07 -0.34 -0.04 0.93 0.64 1a5uG1 LEU 4560 HD23 0.02 -0.01 -0.01 -0.04 0.89 0.84 1a5uG1 SER 4561 H 0.02 -0.01 0.10 -0.55 8.46 8.02 1a5uG1 SER 4561 HA 0.05 0.29 0.85 -0.75 4.49 4.92 1a5uG1 SER 4561 HB2 0.03 -0.13 0.27 -0.04 3.95 4.08 1a5uG1 SER 4561 HB3 0.05 0.13 0.17 -0.04 3.93 4.24 1a5uG1 GLY 4562 H 0.03 0.16 0.16 -0.55 8.43 8.23 1a5uG1 GLY 4562 HA2 0.01 0.10 0.40 -0.51 4.01 4.01 1a5uG1 GLY 4562 HA3 0.01 0.15 0.33 -0.51 4.01 3.99 1a5uG1 GLU 4563 H 0.02 -0.11 -0.51 -0.55 8.60 7.45 1a5uG1 GLU 4563 HA 0.03 0.10 0.18 -0.75 4.29 3.85 1a5uG1 GLU 4563 HB2 0.03 -0.07 -0.12 -0.04 2.09 1.89 1a5uG1 GLU 4563 HB3 0.03 0.19 -0.11 -0.04 1.99 2.07 1a5uG1 GLU 4563 HG2 0.02 0.14 -0.17 -0.04 2.34 2.29 1a5uG1 GLU 4563 HG3 0.02 0.11 -0.20 -0.04 2.34 2.23 1a5uG1 THR 4564 H 0.03 0.28 -0.40 -0.55 8.28 7.64 1a5uG1 THR 4564 HA 0.03 0.21 0.82 -0.75 4.39 4.69 1a5uG1 THR 4564 HB 0.04 0.08 -0.16 -0.04 4.32 4.24 1a5uG1 THR 4564 HG23 0.03 -0.02 -0.18 -0.04 1.22 1.01 1a5uG1 ALA 4565 H 0.03 0.31 0.07 -0.55 8.40 8.26 1a5uG1 ALA 4565 HA 0.05 0.04 0.38 -0.75 4.34 4.05 1a5uG1 ALA 4565 HB3 0.03 -0.04 -0.07 -0.04 1.41 1.29 1a5uG1 LYS 4566 H 0.01 0.22 0.01 -0.55 8.42 8.10 1a5uG1 LYS 4566 HA -0.00 0.13 0.90 -0.75 4.32 4.59 1a5uG1 LYS 4566 HB2 -0.02 0.06 0.04 -0.04 1.87 1.91 1a5uG1 LYS 4566 HB3 -0.02 -0.03 -0.15 -0.04 1.79 1.55 1a5uG1 LYS 4566 HG2 -0.03 -0.16 0.00 -0.04 1.46 1.24 1a5uG1 LYS 4566 HG3 -0.02 0.11 -0.03 -0.04 1.46 1.49 1a5uG1 LYS 4566 HD2 -0.04 0.07 -0.11 -0.04 1.69 1.58 1a5uG1 LYS 4566 HD3 -0.04 0.02 -0.05 -0.04 1.68 1.56 1a5uG1 LYS 4566 HE2 -0.02 -0.03 -0.05 -0.04 2.99 2.84 1a5uG1 LYS 4566 HE3 -0.02 -0.09 -0.05 -0.04 2.99 2.79 1a5uG1 GLY 4567 H 0.00 0.31 0.05 -0.55 8.43 8.24 1a5uG1 GLY 4567 HA2 -0.02 0.02 0.38 -0.51 4.01 3.89 1a5uG1 GLY 4567 HA3 0.01 -0.03 0.39 -0.51 4.01 3.87 1a5uG1 ASP 4568 H -0.04 1.09 0.38 -0.55 8.40 9.28 1a5uG1 ASP 4568 HA -0.18 0.13 0.71 -0.75 4.63 4.53 1a5uG1 ASP 4568 HB2 -0.18 0.07 0.05 -0.04 2.71 2.60 1a5uG1 ASP 4568 HB3 -0.61 -0.06 0.04 -0.04 2.70 2.03 1a5uG1 TYR 4569 H 0.06 0.20 -0.16 -0.55 8.29 7.84 1a5uG1 TYR 4569 HA 0.00 0.16 0.87 -0.75 4.56 4.85 1a5uG1 TYR 4569 HB2 -0.00 0.24 0.11 -0.04 3.06 3.36 1a5uG1 TYR 4569 HB3 0.00 -0.16 0.14 -0.04 2.98 2.92 1a5uG1 TYR 4569 HD2 -0.00 -0.02 -0.35 -0.04 7.15 6.74 1a5uG1 TYR 4569 HE2 -0.00 0.13 -0.15 -0.04 6.85 6.79 1a5uG1 PRO 4570 HA 0.05 0.21 0.44 -0.51 4.44 4.63 1a5uG1 PRO 4570 HB2 0.03 0.01 -0.09 -0.04 2.28 2.19 1a5uG1 PRO 4570 HB3 0.02 0.02 0.13 -0.04 2.02 2.15 1a5uG1 PRO 4570 HG2 0.01 0.01 0.01 -0.04 2.03 2.02 1a5uG1 PRO 4570 HG3 -0.00 0.20 -0.10 -0.04 2.03 2.09 1a5uG1 PRO 4570 HD2 -0.00 0.08 -0.02 -0.04 3.68 3.69 1a5uG1 PRO 4570 HD3 -0.04 0.21 -0.61 -0.04 3.65 3.16 1a5uG1 LEU 4571 H 0.05 0.22 -0.04 -0.55 8.37 8.05 1a5uG1 LEU 4571 HA 0.03 0.13 0.41 -0.75 4.35 4.16 1a5uG1 LEU 4571 HB2 0.05 -0.04 0.02 -0.04 1.64 1.63 1a5uG1 LEU 4571 HB3 0.03 0.11 -0.03 -0.04 1.64 1.70 1a5uG1 LEU 4571 HG 0.03 -0.02 0.05 -0.04 1.64 1.65 1a5uG1 LEU 4571 HD13 0.02 0.03 -0.01 -0.04 0.93 0.93 1a5uG1 LEU 4571 HD23 0.02 0.03 -0.19 -0.04 0.89 0.72 1a5uG1 GLU 4572 H 0.10 0.09 -0.33 -0.55 8.60 7.91 1a5uG1 GLU 4572 HA 0.04 0.10 0.39 -0.75 4.29 4.07 1a5uG1 GLU 4572 HB2 0.14 0.03 0.07 -0.04 2.09 2.30 1a5uG1 GLU 4572 HB3 0.01 0.10 -0.01 -0.04 1.99 2.04 1a5uG1 GLU 4572 HG2 -0.03 0.05 0.07 -0.04 2.34 2.40 1a5uG1 GLU 4572 HG3 0.03 0.02 0.05 -0.04 2.34 2.40 1a5uG1 ALA 4573 H 0.07 0.39 -0.38 -0.55 8.40 7.93 1a5uG1 ALA 4573 HA 0.03 -0.03 0.33 -0.75 4.34 3.91 1a5uG1 ALA 4573 HB3 0.05 0.04 0.07 -0.04 1.41 1.53 1a5uG1 VAL 4574 H 0.04 0.50 -0.27 -0.55 8.24 7.96 1a5uG1 VAL 4574 HA 0.03 -0.07 0.30 -0.75 4.13 3.64 1a5uG1 VAL 4574 HB 0.02 0.16 0.15 -0.04 2.12 2.40 1a5uG1 VAL 4574 HG13 0.00 0.05 -0.30 -0.04 0.97 0.68 1a5uG1 VAL 4574 HG23 0.02 0.05 -0.05 -0.04 0.95 0.94 1a5uG1 ARG 4575 H 0.03 0.64 -0.10 -0.55 8.46 8.48 1a5uG1 ARG 4575 HA 0.04 0.21 0.48 -0.75 4.34 4.31 1a5uG1 ARG 4575 HB2 0.03 0.02 0.15 -0.04 1.90 2.05 1a5uG1 ARG 4575 HB3 0.03 -0.03 0.06 -0.04 1.80 1.82 1a5uG1 ARG 4575 HG2 -0.02 0.06 0.07 -0.04 1.67 1.75 1a5uG1 ARG 4575 HG3 0.01 0.21 0.15 -0.04 1.67 2.00 1a5uG1 ARG 4575 HD2 0.03 -0.16 -0.35 -0.04 3.22 2.69 1a5uG1 ARG 4575 HD3 0.01 -0.03 -0.03 -0.04 3.22 3.13 1a5uG1 MET 4576 H 0.04 0.65 -0.20 -0.55 8.47 8.40 1a5uG1 MET 4576 HA 0.03 0.01 0.42 -0.75 4.52 4.23 1a5uG1 MET 4576 HB2 0.01 0.18 0.10 -0.04 2.15 2.40 1a5uG1 MET 4576 HB3 0.02 0.00 0.04 -0.04 2.03 2.05 1a5uG1 MET 4576 HG2 -0.01 -0.02 -0.00 -0.04 2.63 2.56 1a5uG1 MET 4576 HG3 0.00 -0.10 -0.07 -0.04 2.56 2.35 1a5uG1 MET 4576 HE3 -0.00 0.02 0.02 -0.04 2.10 2.09 1a5uG1 GLN 4577 H 0.04 0.51 -0.24 -0.55 8.47 8.24 1a5uG1 GLN 4577 HA 0.02 -0.08 0.37 -0.75 4.36 3.91 1a5uG1 GLN 4577 HB2 0.03 0.18 0.12 -0.04 2.15 2.44 1a5uG1 GLN 4577 HB3 0.03 0.06 -0.07 -0.04 2.02 2.00 1a5uG1 GLN 4577 HG2 0.01 -0.06 -0.06 -0.04 2.40 2.25 1a5uG1 GLN 4577 HG3 0.02 -0.03 -0.07 -0.04 2.39 2.27 1a5uG1 GLN 4577 HE21 -0.00 0.04 -0.31 -0.04 6.97 6.65 1a5uG1 GLN 4577 HE22 -0.00 -0.12 -0.12 -0.04 7.69 7.41 1a5uG1 HIS 4578 H 0.15 0.49 -0.19 -0.55 8.41 8.31 1a5uG1 HIS 4578 HA 0.02 0.03 0.34 -0.75 4.63 4.27 1a5uG1 HIS 4578 HB2 0.02 0.09 0.17 -0.04 3.26 3.49 1a5uG1 HIS 4578 HB3 0.02 0.18 0.22 -0.04 3.20 3.58 1a5uG1 HIS 4578 HD2 0.02 -0.07 -0.12 -0.04 6.97 6.75 1a5uG1 HIS 4578 HE1 0.10 0.04 0.05 -0.04 7.75 7.90 1a5uG1 LEU 4579 H 0.10 0.42 -0.24 -0.55 8.37 8.10 1a5uG1 LEU 4579 HA -0.06 0.10 0.49 -0.75 4.35 4.13 1a5uG1 LEU 4579 HB2 0.04 0.05 0.21 -0.04 1.64 1.90 1a5uG1 LEU 4579 HB3 0.02 -0.09 -0.01 -0.04 1.64 1.51 1a5uG1 LEU 4579 HG 0.16 0.13 0.05 -0.04 1.64 1.94 1a5uG1 LEU 4579 HD13 0.04 -0.04 -0.02 -0.04 0.93 0.87 1a5uG1 LEU 4579 HD23 0.06 -0.00 0.03 -0.04 0.89 0.94 1a5uG1 ILE 4580 H -0.00 0.63 -0.02 -0.55 8.25 8.31 1a5uG1 ILE 4580 HA -0.02 0.03 0.43 -0.75 4.18 3.88 1a5uG1 ILE 4580 HB -0.00 0.09 0.10 -0.04 1.89 2.03 1a5uG1 ILE 4580 HG12 -0.01 -0.05 0.04 -0.04 1.49 1.43 1a5uG1 ILE 4580 HG13 0.00 0.14 0.09 -0.04 1.21 1.40 1a5uG1 ILE 4580 HG23 -0.01 -0.03 -0.13 -0.04 0.93 0.72 1a5uG1 ILE 4580 HD13 -0.00 -0.04 -0.05 -0.04 0.88 0.75 1a5uG1 ALA 4581 H -0.03 0.61 -0.15 -0.55 8.40 8.29 1a5uG1 ALA 4581 HA -0.02 -0.04 0.38 -0.75 4.34 3.91 1a5uG1 ALA 4581 HB3 -0.03 0.03 0.05 -0.04 1.41 1.42 1a5uG1 ARG 4582 H -0.13 0.48 -0.20 -0.55 8.46 8.06 1a5uG1 ARG 4582 HA -0.04 0.03 0.41 -0.75 4.34 3.99 1a5uG1 ARG 4582 HB2 -0.12 0.15 0.18 -0.04 1.90 2.07 1a5uG1 ARG 4582 HB3 -0.06 -0.04 -0.01 -0.04 1.80 1.65 1a5uG1 ARG 4582 HG2 -0.11 0.01 -0.05 -0.04 1.67 1.48 1a5uG1 ARG 4582 HG3 -0.44 0.18 0.11 -0.04 1.67 1.47 1a5uG1 ARG 4582 HD2 -0.09 -0.13 0.02 -0.04 3.22 2.98 1a5uG1 ARG 4582 HD3 -0.03 0.25 -0.01 -0.04 3.22 3.39 1a5uG1 GLU 4583 H -0.03 0.33 -0.27 -0.55 8.60 8.08 1a5uG1 GLU 4583 HA -0.00 0.05 0.42 -0.75 4.29 4.00 1a5uG1 GLU 4583 HB2 -0.01 0.06 0.15 -0.04 2.09 2.25 1a5uG1 GLU 4583 HB3 -0.01 -0.07 0.01 -0.04 1.99 1.88 1a5uG1 GLU 4583 HG2 -0.02 0.22 0.13 -0.04 2.34 2.63 1a5uG1 GLU 4583 HG3 -0.01 -0.10 0.03 -0.04 2.34 2.23 1a5uG1 ALA 4584 H -0.00 0.51 -0.07 -0.55 8.40 8.30 1a5uG1 ALA 4584 HA 0.02 -0.00 0.42 -0.75 4.34 4.02 1a5uG1 ALA 4584 HB3 0.01 -0.01 0.09 -0.04 1.41 1.46 1a5uG1 GLU 4585 H 0.02 0.70 -0.13 -0.55 8.60 8.64 1a5uG1 GLU 4585 HA 0.06 0.03 0.39 -0.75 4.29 4.02 1a5uG1 GLU 4585 HB2 0.04 0.12 0.23 -0.04 2.09 2.43 1a5uG1 GLU 4585 HB3 0.09 0.05 0.03 -0.04 1.99 2.12 1a5uG1 GLU 4585 HG2 0.07 0.04 0.01 -0.04 2.34 2.41 1a5uG1 GLU 4585 HG3 0.03 -0.03 0.01 -0.04 2.34 2.30 1a5uG1 ALA 4586 H 0.06 0.50 -0.10 -0.55 8.40 8.31 1a5uG1 ALA 4586 HA 0.15 0.05 0.36 -0.75 4.34 4.15 1a5uG1 ALA 4586 HB3 0.05 -0.02 0.05 -0.04 1.41 1.45 1a5uG1 ALA 4587 H 0.05 0.19 -0.64 -0.55 8.40 7.46 1a5uG1 ALA 4587 HA 0.06 0.01 0.34 -0.75 4.34 3.99 1a5uG1 ALA 4587 HB3 0.02 -0.05 0.10 -0.04 1.41 1.44 1a5uG1 MET 4588 H 0.04 0.54 -0.50 -0.55 8.47 8.01 1a5uG1 MET 4588 HA 0.07 0.18 1.04 -0.75 4.52 5.06 1a5uG1 MET 4588 HB2 -0.51 -0.04 -0.02 -0.04 2.15 1.54 1a5uG1 MET 4588 HB3 -0.09 -0.11 0.09 -0.04 2.03 1.88 1a5uG1 MET 4588 HG2 -0.00 -0.07 -0.13 -0.04 2.63 2.39 1a5uG1 MET 4588 HG3 -0.02 0.39 0.16 -0.04 2.56 3.05 1a5uG1 MET 4588 HE3 0.10 0.05 0.00 -0.04 2.10 2.22 1a5uG1 PHE 4589 H 0.02 0.16 0.08 -0.55 8.34 8.05 1a5uG1 PHE 4589 HA -0.38 0.24 0.70 -0.75 4.62 4.43 1a5uG1 PHE 4589 HB2 -0.46 0.06 0.08 -0.04 3.15 2.79 1a5uG1 PHE 4589 HB3 -0.16 -0.06 0.20 -0.04 3.06 2.99 1a5uG1 PHE 4589 HD2 -0.05 0.00 0.01 -0.04 7.28 7.21 1a5uG1 PHE 4589 HE2 0.03 0.04 -0.32 -0.04 7.38 7.09 1a5uG1 PHE 4589 HZ 0.01 0.13 -0.45 -0.04 7.32 6.96 1a5uG1 HIS 4590 H -0.14 0.51 -0.35 -0.55 8.41 7.88 1a5uG1 HIS 4590 HA 0.06 0.08 0.28 -0.75 4.63 4.30 1a5uG1 HIS 4590 HB2 -0.22 -0.03 0.06 -0.04 3.26 3.03 1a5uG1 HIS 4590 HB3 -0.18 0.04 -0.01 -0.04 3.20 3.01 1a5uG1 HIS 4590 HD2 0.19 0.27 -0.11 -0.04 6.97 7.28 1a5uG1 HIS 4590 HE1 0.08 0.15 0.06 -0.04 7.75 7.99 1a5uG1 ARG 4591 H 0.01 0.20 -0.21 -0.55 8.46 7.90 1a5uG1 ARG 4591 HA -0.14 0.04 0.38 -0.75 4.34 3.87 1a5uG1 ARG 4591 HB2 -0.07 0.10 0.12 -0.04 1.90 2.01 1a5uG1 ARG 4591 HB3 -0.16 0.03 0.06 -0.04 1.80 1.69 1a5uG1 ARG 4591 HG2 -0.06 -0.07 0.06 -0.04 1.67 1.56 1a5uG1 ARG 4591 HG3 -0.05 0.03 0.01 -0.04 1.67 1.63 1a5uG1 ARG 4591 HD2 -0.12 -0.06 -0.30 -0.04 3.22 2.70 1a5uG1 ARG 4591 HD3 -0.03 -0.05 -0.05 -0.04 3.22 3.05 1a5uG1 LYS 4592 H -0.77 0.18 -0.15 -0.55 8.42 7.13 1a5uG1 LYS 4592 HA -0.28 0.03 0.47 -0.75 4.32 3.79 1a5uG1 LYS 4592 HB2 -1.58 0.02 0.07 -0.04 1.87 0.34 1a5uG1 LYS 4592 HB3 -0.49 0.03 0.01 -0.04 1.79 1.30 1a5uG1 LYS 4592 HG2 -0.23 -0.06 -0.02 -0.04 1.46 1.12 1a5uG1 LYS 4592 HG3 -0.22 -0.02 0.06 -0.04 1.46 1.23 1a5uG1 LYS 4592 HD2 -0.27 0.03 -0.03 -0.04 1.69 1.38 1a5uG1 LYS 4592 HD3 -0.44 0.03 -0.07 -0.04 1.68 1.16 1a5uG1 LYS 4592 HE2 -0.06 -0.06 0.01 -0.04 2.99 2.84 1a5uG1 LYS 4592 HE3 -0.06 -0.01 0.01 -0.04 2.99 2.89 1a5uG1 LEU 4593 H -0.16 0.57 -0.08 -0.55 8.37 8.15 1a5uG1 LEU 4593 HA -0.04 -0.04 0.34 -0.75 4.35 3.86 1a5uG1 LEU 4593 HB2 -0.03 -0.05 -0.04 -0.04 1.64 1.48 1a5uG1 LEU 4593 HB3 0.07 0.10 0.10 -0.04 1.64 1.87 1a5uG1 LEU 4593 HG 0.11 0.06 -0.26 -0.04 1.64 1.51 1a5uG1 LEU 4593 HD13 -0.00 -0.02 -0.04 -0.04 0.93 0.82 1a5uG1 LEU 4593 HD23 0.07 0.02 -0.08 -0.04 0.89 0.86 1a5uG1 PHE 4594 H 0.25 0.80 -0.03 -0.55 8.34 8.80 1a5uG1 PHE 4594 HA 0.17 0.08 0.35 -0.75 4.62 4.47 1a5uG1 PHE 4594 HB2 0.33 0.14 0.13 -0.04 3.15 3.71 1a5uG1 PHE 4594 HB3 0.13 0.00 0.18 -0.04 3.06 3.33 1a5uG1 PHE 4594 HD2 0.18 0.22 0.00 -0.04 7.28 7.65 1a5uG1 PHE 4594 HE2 0.00 -0.04 -0.00 -0.04 7.38 7.30 1a5uG1 PHE 4594 HZ -0.12 -0.03 0.06 -0.04 7.32 7.18 1a5uG1 GLU 4595 H 0.17 0.49 -0.07 -0.55 8.60 8.65 1a5uG1 GLU 4595 HA -0.02 -0.06 0.36 -0.75 4.29 3.81 1a5uG1 GLU 4595 HB2 -0.03 0.14 0.19 -0.04 2.09 2.34 1a5uG1 GLU 4595 HB3 -0.01 -0.11 0.07 -0.04 1.99 1.90 1a5uG1 GLU 4595 HG2 0.13 -0.09 0.07 -0.04 2.34 2.40 1a5uG1 GLU 4595 HG3 0.11 0.34 0.19 -0.04 2.34 2.94 1a5uG1 GLU 4596 H -0.04 0.75 -0.10 -0.55 8.60 8.66 1a5uG1 GLU 4596 HA -0.05 -0.05 0.56 -0.75 4.29 3.99 1a5uG1 GLU 4596 HB2 -0.06 0.17 0.11 -0.04 2.09 2.27 1a5uG1 GLU 4596 HB3 -0.06 -0.08 0.04 -0.04 1.99 1.85 1a5uG1 GLU 4596 HG2 -0.06 -0.09 0.03 -0.04 2.34 2.17 1a5uG1 GLU 4596 HG3 -0.08 0.08 0.01 -0.04 2.34 2.30 1a5uG1 LEU 4597 H -0.05 0.71 -0.03 -0.55 8.37 8.45 1a5uG1 LEU 4597 HA -0.04 0.03 0.54 -0.75 4.35 4.13 1a5uG1 LEU 4597 HB2 -0.00 0.18 0.15 -0.04 1.64 1.93 1a5uG1 LEU 4597 HB3 0.07 -0.06 -0.05 -0.04 1.64 1.55 1a5uG1 LEU 4597 HG -0.13 0.12 0.00 -0.04 1.64 1.59 1a5uG1 LEU 4597 HD13 -0.05 -0.04 -0.08 -0.04 0.93 0.72 1a5uG1 LEU 4597 HD23 0.07 -0.01 -0.18 -0.04 0.89 0.73 1a5uG1 ALA 4598 H -0.18 0.60 0.01 -0.55 8.40 8.28 1a5uG1 ALA 4598 HA -0.04 0.06 0.45 -0.75 4.34 4.06 1a5uG1 ALA 4598 HB3 -0.29 0.01 0.06 -0.04 1.41 1.14 1a5uG1 ARG 4599 H -0.07 0.37 -0.31 -0.55 8.46 7.90 1a5uG1 ARG 4599 HA -0.05 0.01 0.46 -0.75 4.34 4.01 1a5uG1 ARG 4599 HB2 -0.05 0.05 0.15 -0.04 1.90 2.01 1a5uG1 ARG 4599 HB3 -0.05 0.18 0.16 -0.04 1.80 2.05 1a5uG1 ARG 4599 HG2 -0.05 -0.01 -0.04 -0.04 1.67 1.53 1a5uG1 ARG 4599 HG3 -0.06 -0.05 -0.02 -0.04 1.67 1.51 1a5uG1 ARG 4599 HD2 -0.03 -0.04 0.03 -0.04 3.22 3.14 1a5uG1 ARG 4599 HD3 -0.03 0.04 0.03 -0.04 3.22 3.22 1a5uG1 SER 4600 H -0.05 0.37 -0.28 -0.55 8.46 7.96 1a5uG1 SER 4600 HA -0.09 0.02 0.58 -0.75 4.49 4.25 1a5uG1 SER 4600 HB2 -0.05 -0.12 0.14 -0.04 3.95 3.88 1a5uG1 SER 4600 HB3 -0.05 0.21 0.23 -0.04 3.93 4.29 1a5uG1 SER 4601 H -0.01 0.37 -0.34 -0.55 8.46 7.94 1a5uG1 SER 4601 HA 0.02 0.08 0.65 -0.75 4.49 4.49 1a5uG1 SER 4601 HB2 0.12 0.16 0.09 -0.04 3.95 4.27 1a5uG1 SER 4601 HB3 0.10 0.04 0.07 -0.04 3.93 4.10 1a5uG1 SER 4602 H -0.03 0.20 -0.55 -0.55 8.46 7.53 1a5uG1 SER 4602 HA 0.01 0.05 0.37 -0.75 4.49 4.17 1a5uG1 SER 4602 HB2 0.02 -0.13 0.08 -0.04 3.95 3.88 1a5uG1 SER 4602 HB3 -0.04 0.14 0.26 -0.04 3.93 4.26 1a5uG1 HIS 4603 H 0.02 0.15 -0.37 -0.55 8.41 7.67 1a5uG1 HIS 4603 HA -0.01 0.03 0.44 -0.75 4.63 4.35 1a5uG1 HIS 4603 HB2 -0.00 0.07 0.06 -0.04 3.26 3.35 1a5uG1 HIS 4603 HB3 -0.00 -0.07 0.06 -0.04 3.20 3.15 1a5uG1 HIS 4603 HD2 -0.01 0.04 -0.25 -0.04 6.97 6.71 1a5uG1 HIS 4603 HE1 -0.01 -0.05 0.00 -0.04 7.75 7.66 1a5uG1 SER 4604 H 0.07 0.63 -0.13 -0.55 8.46 8.48 1a5uG1 SER 4604 HA 0.03 0.01 0.76 -0.75 4.49 4.53 1a5uG1 SER 4604 HB2 0.03 -0.03 0.09 -0.04 3.95 4.00 1a5uG1 SER 4604 HB3 0.05 0.23 0.16 -0.04 3.93 4.32 1a5uG1 THR 4605 H 0.01 0.03 0.22 -0.55 8.28 7.98 1a5uG1 THR 4605 HA 0.00 0.26 0.77 -0.75 4.39 4.67 1a5uG1 THR 4605 HB -0.01 -0.04 0.14 -0.04 4.32 4.37 1a5uG1 THR 4605 HG23 0.00 0.04 -0.10 -0.04 1.22 1.12 1a5uG1 ASP 4606 H -0.00 0.04 0.05 -0.55 8.40 7.94 1a5uG1 ASP 4606 HA -0.05 0.04 0.43 -0.75 4.63 4.29 1a5uG1 ASP 4606 HB2 -0.03 0.09 0.15 -0.04 2.71 2.88 1a5uG1 ASP 4606 HB3 0.00 0.11 0.11 -0.04 2.70 2.88 1a5uG1 LEU 4607 H -0.15 0.14 0.21 -0.55 8.37 8.03 1a5uG1 LEU 4607 HA 0.01 0.25 0.56 -0.75 4.35 4.41 1a5uG1 LEU 4607 HB2 -0.43 -0.03 0.04 -0.04 1.64 1.18 1a5uG1 LEU 4607 HB3 0.18 0.04 0.05 -0.04 1.64 1.87 1a5uG1 LEU 4607 HG -0.08 -0.03 0.09 -0.04 1.64 1.58 1a5uG1 LEU 4607 HD13 0.11 0.01 0.02 -0.04 0.93 1.03 1a5uG1 LEU 4607 HD23 0.01 0.05 -0.01 -0.04 0.89 0.90 1a5uG1 MET 4608 H -0.21 0.10 -0.07 -0.55 8.47 7.74 1a5uG1 MET 4608 HA 0.30 0.18 0.62 -0.75 4.52 4.86 1a5uG1 MET 4608 HB2 -0.17 -0.03 0.02 -0.04 2.15 1.93 1a5uG1 MET 4608 HB3 -0.07 0.03 -0.01 -0.04 2.03 1.95 1a5uG1 MET 4608 HG2 0.07 -0.03 -0.07 -0.04 2.63 2.57 1a5uG1 MET 4608 HG3 0.10 0.11 -0.09 -0.04 2.56 2.63 1a5uG1 MET 4608 HE3 0.11 0.04 0.00 -0.04 2.10 2.21 1a5uG1 GLU 4609 H 0.00 -0.02 -0.45 -0.55 8.60 7.58 1a5uG1 GLU 4609 HA 0.15 0.17 0.39 -0.75 4.29 4.24 1a5uG1 GLU 4609 HB2 0.02 0.12 0.01 -0.04 2.09 2.21 1a5uG1 GLU 4609 HB3 0.04 0.12 -0.11 -0.04 1.99 2.00 1a5uG1 GLU 4609 HG2 0.20 0.12 -0.01 -0.04 2.34 2.61 1a5uG1 GLU 4609 HG3 0.06 -0.15 -0.03 -0.04 2.34 2.18 1a5uG1 ALA 4610 H 0.01 0.44 -0.14 -0.55 8.40 8.17 1a5uG1 ALA 4610 HA -0.04 0.05 0.28 -0.75 4.34 3.89 1a5uG1 ALA 4610 HB3 0.02 0.04 0.06 -0.04 1.41 1.48 1a5uG1 MET 4611 H 0.11 0.27 -0.41 -0.55 8.47 7.89 1a5uG1 MET 4611 HA 0.04 0.04 0.38 -0.75 4.52 4.22 1a5uG1 MET 4611 HB2 0.17 -0.03 0.09 -0.04 2.15 2.35 1a5uG1 MET 4611 HB3 0.07 -0.01 -0.05 -0.04 2.03 2.00 1a5uG1 MET 4611 HG2 0.20 0.10 0.09 -0.04 2.63 2.98 1a5uG1 MET 4611 HG3 0.14 0.02 0.08 -0.04 2.56 2.76 1a5uG1 MET 4611 HE3 -0.02 -0.00 -0.25 -0.04 2.10 1.78 1a5uG1 ALA 4612 H 0.07 0.48 -0.35 -0.55 8.40 8.06 1a5uG1 ALA 4612 HA 0.07 -0.02 0.40 -0.75 4.34 4.04 1a5uG1 ALA 4612 HB3 0.18 0.05 -0.03 -0.04 1.41 1.57 1a5uG1 MET 4613 H -0.14 0.62 0.01 -0.55 8.47 8.42 1a5uG1 MET 4613 HA 0.10 0.06 0.38 -0.75 4.52 4.30 1a5uG1 MET 4613 HB2 -0.12 0.02 0.01 -0.04 2.15 2.01 1a5uG1 MET 4613 HB3 -0.06 -0.03 -0.01 -0.04 2.03 1.90 1a5uG1 MET 4613 HG2 -1.84 0.02 0.00 -0.04 2.63 0.77 1a5uG1 MET 4613 HG3 -0.55 0.23 -0.06 -0.04 2.56 2.14 1a5uG1 MET 4613 HE3 -0.37 -0.01 -0.04 -0.04 2.10 1.64 1a5uG1 GLY 4614 H -0.01 0.47 -0.34 -0.55 8.43 8.00 1a5uG1 GLY 4614 HA2 -0.00 -0.01 0.40 -0.51 4.01 3.89 1a5uG1 GLY 4614 HA3 -0.01 0.06 0.26 -0.51 4.01 3.81 1a5uG1 SER 4615 H -0.01 0.42 -0.43 -0.55 8.46 7.89 1a5uG1 SER 4615 HA -0.05 -0.02 0.45 -0.75 4.49 4.12 1a5uG1 SER 4615 HB2 0.00 0.15 0.17 -0.04 3.95 4.23 1a5uG1 SER 4615 HB3 -0.02 -0.10 -0.08 -0.04 3.93 3.69 1a5uG1 VAL 4616 H -0.07 0.75 0.02 -0.55 8.24 8.39 1a5uG1 VAL 4616 HA -0.30 0.01 0.45 -0.75 4.13 3.53 1a5uG1 VAL 4616 HB -0.07 -0.00 0.14 -0.04 2.12 2.15 1a5uG1 VAL 4616 HG13 -0.51 0.04 -0.21 -0.04 0.97 0.25 1a5uG1 VAL 4616 HG23 0.08 0.05 -0.06 -0.04 0.95 0.98 1a5uG1 GLU 4617 H -0.37 0.57 -0.06 -0.55 8.60 8.19 1a5uG1 GLU 4617 HA -0.41 -0.01 0.30 -0.75 4.29 3.41 1a5uG1 GLU 4617 HB2 -0.21 0.12 0.13 -0.04 2.09 2.09 1a5uG1 GLU 4617 HB3 -0.10 0.08 0.13 -0.04 1.99 2.06 1a5uG1 GLU 4617 HG2 0.01 -0.03 -0.02 -0.04 2.34 2.26 1a5uG1 GLU 4617 HG3 -0.04 -0.03 -0.12 -0.04 2.34 2.10 1a5uG1 ALA 4618 H -0.12 0.57 -0.27 -0.55 8.40 8.03 1a5uG1 ALA 4618 HA -0.05 -0.04 0.39 -0.75 4.34 3.88 1a5uG1 ALA 4618 HB3 -0.05 0.00 0.07 -0.04 1.41 1.39 1a5uG1 SER 4619 H -0.19 0.59 -0.32 -0.55 8.46 7.99 1a5uG1 SER 4619 HA -0.06 -0.07 0.40 -0.75 4.49 4.00 1a5uG1 SER 4619 HB2 -0.07 -0.06 0.03 -0.04 3.95 3.80 1a5uG1 SER 4619 HB3 -0.11 0.05 0.11 -0.04 3.93 3.93 1a5uG1 TYR 4620 H -0.23 0.55 -0.05 -0.55 8.29 8.00 1a5uG1 TYR 4620 HA -0.08 0.02 0.41 -0.75 4.56 4.15 1a5uG1 TYR 4620 HB2 -0.14 0.15 0.16 -0.04 3.06 3.18 1a5uG1 TYR 4620 HB3 -0.08 -0.03 -0.07 -0.04 2.98 2.75 1a5uG1 TYR 4620 HD2 -0.25 -0.04 -0.01 -0.04 7.15 6.81 1a5uG1 TYR 4620 HE2 -0.44 -0.01 -0.02 -0.04 6.85 6.33 1a5uG1 LYS 4621 H 0.05 0.60 -0.10 -0.55 8.42 8.42 1a5uG1 LYS 4621 HA 0.04 -0.01 0.35 -0.75 4.32 3.95 1a5uG1 LYS 4621 HB2 0.01 -0.04 0.08 -0.04 1.87 1.88 1a5uG1 LYS 4621 HB3 -0.00 0.05 0.13 -0.04 1.79 1.92 1a5uG1 LYS 4621 HG2 0.00 -0.08 -0.04 -0.04 1.46 1.31 1a5uG1 LYS 4621 HG3 0.00 0.02 -0.30 -0.04 1.46 1.14 1a5uG1 LYS 4621 HD2 0.01 0.06 0.17 -0.04 1.69 1.89 1a5uG1 LYS 4621 HD3 0.01 -0.02 0.05 -0.04 1.68 1.68 1a5uG1 LYS 4621 HE2 0.01 -0.04 -0.01 -0.04 2.99 2.90 1a5uG1 LYS 4621 HE3 0.01 -0.01 -0.00 -0.04 2.99 2.95 1a5uG1 CYS 4622 H 0.00 0.47 -0.23 -0.55 8.50 8.20 1a5uG1 CYS 4622 HA 0.01 0.19 0.93 -0.75 4.58 4.96 1a5uG1 CYS 4622 HB2 -0.01 -0.05 0.11 -0.04 2.97 2.98 1a5uG1 CYS 4622 HB3 -0.01 -0.07 -0.04 -0.04 2.97 2.81 1a5uG1 LEU 4623 H 0.03 0.35 -0.38 -0.55 8.37 7.82 1a5uG1 LEU 4623 HA 0.03 0.07 0.41 -0.75 4.35 4.11 1a5uG1 LEU 4623 HB2 0.02 -0.02 0.04 -0.04 1.64 1.63 1a5uG1 LEU 4623 HB3 0.02 -0.03 0.13 -0.04 1.64 1.72 1a5uG1 LEU 4623 HG 0.02 0.08 -0.13 -0.04 1.64 1.57 1a5uG1 LEU 4623 HD13 0.02 -0.04 -0.04 -0.04 0.93 0.84 1a5uG1 LEU 4623 HD23 0.03 -0.01 0.07 -0.04 0.89 0.94 1a5uG1 ALA 4624 H -0.00 0.34 -0.00 -0.55 8.40 8.19 1a5uG1 ALA 4624 HA -0.01 0.13 0.57 -0.75 4.34 4.28 1a5uG1 ALA 4624 HB3 -0.03 -0.05 0.02 -0.04 1.41 1.31 1a5uG1 ALA 4625 H 0.00 0.72 0.47 -0.55 8.40 9.04 1a5uG1 ALA 4625 HA 0.09 0.11 0.57 -0.75 4.34 4.35 1a5uG1 ALA 4625 HB3 0.19 -0.00 0.14 -0.04 1.41 1.70 1a5uG1 ALA 4626 H 0.02 0.15 0.03 -0.55 8.40 8.05 1a5uG1 ALA 4626 HA 0.06 0.17 0.32 -0.75 4.34 4.14 1a5uG1 ALA 4626 HB3 0.23 0.04 -0.03 -0.04 1.41 1.61 1a5uG1 LEU 4627 H 0.06 0.75 0.21 -0.55 8.37 8.84 1a5uG1 LEU 4627 HA 0.01 0.15 0.93 -0.75 4.35 4.69 1a5uG1 LEU 4627 HB2 0.04 0.06 0.00 -0.04 1.64 1.70 1a5uG1 LEU 4627 HB3 0.02 -0.04 -0.08 -0.04 1.64 1.50 1a5uG1 LEU 4627 HG -0.02 -0.04 -0.25 -0.04 1.64 1.29 1a5uG1 LEU 4627 HD13 -0.02 0.02 -0.21 -0.04 0.93 0.68 1a5uG1 LEU 4627 HD23 -0.03 0.03 -0.20 -0.04 0.89 0.64 1a5uG1 ILE 4628 H 0.01 0.76 0.33 -0.55 8.25 8.80 1a5uG1 ILE 4628 HA 0.07 0.24 1.11 -0.75 4.18 4.84 1a5uG1 ILE 4628 HB 0.01 -0.06 0.18 -0.04 1.89 1.98 1a5uG1 ILE 4628 HG12 0.11 0.08 -0.16 -0.04 1.49 1.49 1a5uG1 ILE 4628 HG13 0.01 0.01 -0.26 -0.04 1.21 0.93 1a5uG1 ILE 4628 HG23 0.03 -0.00 -0.08 -0.04 0.93 0.84 1a5uG1 ILE 4628 HD13 0.04 -0.01 -0.17 -0.04 0.88 0.69 1a5uG1 VAL 4629 H 0.05 0.62 0.17 -0.55 8.24 8.53 1a5uG1 VAL 4629 HA 0.02 0.27 1.19 -0.75 4.13 4.86 1a5uG1 VAL 4629 HB 0.04 -0.01 -0.10 -0.04 2.12 2.01 1a5uG1 VAL 4629 HG13 0.03 -0.03 -0.31 -0.04 0.97 0.61 1a5uG1 VAL 4629 HG23 0.04 0.02 -0.40 -0.04 0.95 0.57 1a5uG1 LEU 4630 H 0.02 0.52 0.26 -0.55 8.37 8.62 1a5uG1 LEU 4630 HA 0.01 0.27 0.88 -0.75 4.35 4.76 1a5uG1 LEU 4630 HB2 0.01 -0.11 0.26 -0.04 1.64 1.76 1a5uG1 LEU 4630 HB3 -0.01 -0.05 0.04 -0.04 1.64 1.59 1a5uG1 LEU 4630 HG -0.03 0.12 0.01 -0.04 1.64 1.70 1a5uG1 LEU 4630 HD13 -0.14 -0.03 0.04 -0.04 0.93 0.75 1a5uG1 LEU 4630 HD23 -0.03 0.02 -0.07 -0.04 0.89 0.78 1a5uG1 THR 4631 H 0.02 0.72 0.31 -0.55 8.28 8.78 1a5uG1 THR 4631 HA 0.04 0.05 0.74 -0.75 4.39 4.47 1a5uG1 THR 4631 HB -0.00 0.07 -0.33 -0.04 4.32 4.02 1a5uG1 THR 4631 HG23 -0.00 0.10 -0.22 -0.04 1.22 1.05 1a5uG1 GLU 4632 H 0.02 -0.05 0.22 -0.55 8.60 8.25 1a5uG1 GLU 4632 HA 0.04 0.28 1.22 -0.75 4.29 5.08 1a5uG1 GLU 4632 HB2 0.05 0.00 0.08 -0.04 2.09 2.19 1a5uG1 GLU 4632 HB3 0.05 0.05 0.14 -0.04 1.99 2.19 1a5uG1 GLU 4632 HG2 0.07 -0.10 -0.62 -0.04 2.34 1.64 1a5uG1 GLU 4632 HG3 0.08 0.03 -0.06 -0.04 2.34 2.35 1a5uG1 SER 4633 H 0.00 -0.07 0.23 -0.55 8.46 8.08 1a5uG1 SER 4633 HA 0.02 0.25 0.69 -0.75 4.49 4.69 1a5uG1 SER 4633 HB2 -0.01 0.16 0.11 -0.04 3.95 4.17 1a5uG1 SER 4633 HB3 0.01 0.07 0.10 -0.04 3.93 4.07 1a5uG1 GLY 4634 H -0.06 -0.18 -0.14 -0.55 8.43 7.51 1a5uG1 GLY 4634 HA2 -0.13 0.03 0.13 -0.51 4.01 3.53 1a5uG1 GLY 4634 HA3 -0.15 0.34 0.33 -0.51 4.01 4.02 1a5uG1 ARG 4635 H -0.21 -0.05 -0.45 -0.55 8.46 7.19 1a5uG1 ARG 4635 HA -0.51 0.23 0.28 -0.75 4.34 3.59 1a5uG1 ARG 4635 HB2 -0.08 -0.16 0.08 -0.04 1.90 1.70 1a5uG1 ARG 4635 HB3 -0.08 0.08 -0.07 -0.04 1.80 1.69 1a5uG1 ARG 4635 HG2 -0.08 0.15 -0.03 -0.04 1.67 1.67 1a5uG1 ARG 4635 HG3 -0.06 -0.09 -0.02 -0.04 1.67 1.46 1a5uG1 ARG 4635 HD2 -0.02 -0.04 -0.00 -0.04 3.22 3.11 1a5uG1 ARG 4635 HD3 -0.02 0.07 -0.02 -0.04 3.22 3.21 1a5uG1 SER 4636 H -0.08 -0.03 -0.13 -0.55 8.46 7.68 1a5uG1 SER 4636 HA 0.03 0.08 0.34 -0.75 4.49 4.19 1a5uG1 SER 4636 HB2 0.01 -0.01 -0.03 -0.04 3.95 3.88 1a5uG1 SER 4636 HB3 0.06 0.12 -0.04 -0.04 3.93 4.03 1a5uG1 ALA 4637 H -0.11 -0.01 -0.46 -0.55 8.40 7.27 1a5uG1 ALA 4637 HA 0.03 0.06 0.32 -0.75 4.34 3.99 1a5uG1 ALA 4637 HB3 0.00 0.06 -0.05 -0.04 1.41 1.39 1a5uG1 HIS 4638 H -0.39 0.49 -0.02 -0.55 8.41 7.94 1a5uG1 HIS 4638 HA -0.25 0.08 0.31 -0.75 4.63 4.02 1a5uG1 HIS 4638 HB2 -0.21 0.01 -0.01 -0.04 3.26 3.01 1a5uG1 HIS 4638 HB3 -0.47 0.09 0.07 -0.04 3.20 2.84 1a5uG1 HIS 4638 HD2 -0.26 -0.02 -0.07 -0.04 6.97 6.57 1a5uG1 HIS 4638 HE1 -0.19 -0.06 -0.05 -0.04 7.75 7.41 1a5uG1 GLN 4639 H 0.01 0.24 -0.72 -0.55 8.47 7.46 1a5uG1 GLN 4639 HA 0.08 0.08 0.42 -0.75 4.36 4.18 1a5uG1 GLN 4639 HB2 0.05 0.25 0.14 -0.04 2.15 2.55 1a5uG1 GLN 4639 HB3 0.12 0.01 -0.10 -0.04 2.02 2.01 1a5uG1 GLN 4639 HG2 0.02 -0.03 -0.12 -0.04 2.40 2.23 1a5uG1 GLN 4639 HG3 0.07 -0.20 -0.25 -0.04 2.39 1.96 1a5uG1 GLN 4639 HE21 0.04 0.14 -0.09 -0.04 6.97 7.02 1a5uG1 GLN 4639 HE22 0.03 -0.03 -0.15 -0.04 7.69 7.50 1a5uG1 VAL 4640 H 0.08 0.30 0.01 -0.55 8.24 8.08 1a5uG1 VAL 4640 HA 0.16 -0.03 0.38 -0.75 4.13 3.88 1a5uG1 VAL 4640 HB 0.08 0.13 0.14 -0.04 2.12 2.43 1a5uG1 VAL 4640 HG13 0.07 0.00 -0.20 -0.04 0.97 0.80 1a5uG1 VAL 4640 HG23 0.07 0.03 -0.01 -0.04 0.95 0.99 1a5uG1 ALA 4641 H 0.09 0.60 -0.12 -0.55 8.40 8.42 1a5uG1 ALA 4641 HA 0.10 0.07 0.25 -0.75 4.34 4.01 1a5uG1 ALA 4641 HB3 0.12 0.01 -0.03 -0.04 1.41 1.47 1a5uG1 ARG 4642 H 0.04 0.31 -0.48 -0.55 8.46 7.78 1a5uG1 ARG 4642 HA -0.03 0.08 0.40 -0.75 4.34 4.04 1a5uG1 ARG 4642 HB2 -0.20 0.03 0.13 -0.04 1.90 1.82 1a5uG1 ARG 4642 HB3 -0.03 0.06 0.12 -0.04 1.80 1.91 1a5uG1 ARG 4642 HG2 -0.11 0.16 0.15 -0.04 1.67 1.83 1a5uG1 ARG 4642 HG3 -0.75 -0.06 -0.12 -0.04 1.67 0.70 1a5uG1 ARG 4642 HD2 -0.03 0.09 0.07 -0.04 3.22 3.31 1a5uG1 ARG 4642 HD3 -0.03 -0.18 0.02 -0.04 3.22 2.99 1a5uG1 TYR 4643 H 0.11 0.46 -0.48 -0.55 8.29 7.83 1a5uG1 TYR 4643 HA 0.11 0.12 0.62 -0.75 4.56 4.65 1a5uG1 TYR 4643 HB2 0.16 0.08 -0.00 -0.04 3.06 3.25 1a5uG1 TYR 4643 HB3 0.42 -0.11 0.07 -0.04 2.98 3.31 1a5uG1 TYR 4643 HD2 -0.07 0.10 -0.03 -0.04 7.15 7.11 1a5uG1 TYR 4643 HE2 -0.08 -0.06 -0.16 -0.04 6.85 6.51 1a5uG1 ARG 4644 H 0.13 0.40 -0.47 -0.55 8.46 7.97 1a5uG1 ARG 4644 HA 0.16 0.16 0.27 -0.75 4.34 4.18 1a5uG1 ARG 4644 HB2 0.29 -0.02 -0.09 -0.04 1.90 2.03 1a5uG1 ARG 4644 HB3 0.28 -0.03 0.08 -0.04 1.80 2.09 1a5uG1 ARG 4644 HG2 0.09 0.10 -0.19 -0.04 1.67 1.62 1a5uG1 ARG 4644 HG3 0.09 -0.10 -0.09 -0.04 1.67 1.53 1a5uG1 ARG 4644 HD2 0.11 -0.03 -0.05 -0.04 3.22 3.21 1a5uG1 ARG 4644 HD3 0.09 0.22 0.02 -0.04 3.22 3.51 1a5uG1 PRO 4645 HA -0.09 0.00 0.37 -0.51 4.44 4.21 1a5uG1 PRO 4645 HB2 -0.02 -0.05 -0.12 -0.04 2.28 2.04 1a5uG1 PRO 4645 HB3 -0.11 -0.08 0.01 -0.04 2.02 1.80 1a5uG1 PRO 4645 HG2 0.06 0.25 -0.21 -0.04 2.03 2.09 1a5uG1 PRO 4645 HG3 0.04 -0.09 -0.17 -0.04 2.03 1.77 1a5uG1 PRO 4645 HD2 0.11 0.15 0.03 -0.04 3.68 3.94 1a5uG1 PRO 4645 HD3 0.11 0.18 -0.11 -0.04 3.65 3.79 1a5uG1 ARG 4646 H 0.05 -0.02 0.13 -0.55 8.46 8.06 1a5uG1 ARG 4646 HA -0.08 0.16 0.53 -0.75 4.34 4.19 1a5uG1 ARG 4646 HB2 -0.67 0.00 0.06 -0.04 1.90 1.26 1a5uG1 ARG 4646 HB3 -0.02 -0.10 0.13 -0.04 1.80 1.78 1a5uG1 ARG 4646 HG2 -0.05 0.03 -0.26 -0.04 1.67 1.34 1a5uG1 ARG 4646 HG3 -0.17 0.04 -0.00 -0.04 1.67 1.50 1a5uG1 ARG 4646 HD2 -0.03 -0.03 -0.00 -0.04 3.22 3.11 1a5uG1 ARG 4646 HD3 -0.03 0.00 -0.01 -0.04 3.22 3.14 1a5uG1 ALA 4647 H -0.01 -0.14 -0.02 -0.55 8.40 7.68 1a5uG1 ALA 4647 HA -0.01 0.16 0.40 -0.75 4.34 4.14 1a5uG1 ALA 4647 HB3 0.01 0.03 -0.17 -0.04 1.41 1.24 1a5uG1 PRO 4648 HA 0.09 0.17 0.51 -0.51 4.44 4.70 1a5uG1 PRO 4648 HB2 -0.16 -0.04 -0.10 -0.04 2.28 1.94 1a5uG1 PRO 4648 HB3 -0.26 0.01 0.03 -0.04 2.02 1.76 1a5uG1 PRO 4648 HG2 -0.14 0.05 0.25 -0.04 2.03 2.15 1a5uG1 PRO 4648 HG3 -0.49 -0.03 0.15 -0.04 2.03 1.62 1a5uG1 PRO 4648 HD2 -0.01 0.29 0.22 -0.04 3.68 4.14 1a5uG1 PRO 4648 HD3 -0.08 0.12 0.22 -0.04 3.65 3.88 1a5uG1 ILE 4649 H 0.15 0.75 0.32 -0.55 8.25 8.92 1a5uG1 ILE 4649 HA 0.09 0.15 0.84 -0.75 4.18 4.51 1a5uG1 ILE 4649 HB 0.11 -0.07 0.24 -0.04 1.89 2.12 1a5uG1 ILE 4649 HG12 0.07 -0.01 -0.18 -0.04 1.49 1.33 1a5uG1 ILE 4649 HG13 0.09 0.31 -0.04 -0.04 1.21 1.53 1a5uG1 ILE 4649 HG23 0.07 -0.05 -0.18 -0.04 0.93 0.73 1a5uG1 ILE 4649 HD13 0.08 -0.02 -0.19 -0.04 0.88 0.71 1a5uG1 ILE 4650 H 0.12 0.65 0.32 -0.55 8.25 8.79 1a5uG1 ILE 4650 HA 0.20 0.33 0.85 -0.75 4.18 4.81 1a5uG1 ILE 4650 HB 0.15 -0.11 0.22 -0.04 1.89 2.11 1a5uG1 ILE 4650 HG12 0.20 0.09 -0.11 -0.04 1.49 1.63 1a5uG1 ILE 4650 HG13 0.21 0.05 -0.09 -0.04 1.21 1.33 1a5uG1 ILE 4650 HG23 0.13 -0.01 -0.17 -0.04 0.93 0.84 1a5uG1 ILE 4650 HD13 0.24 -0.01 -0.05 -0.04 0.88 1.02 1a5uG1 ALA 4651 H 0.12 0.55 0.07 -0.55 8.40 8.60 1a5uG1 ALA 4651 HA 0.06 0.26 1.11 -0.75 4.34 5.01 1a5uG1 ALA 4651 HB3 0.05 -0.03 -0.08 -0.04 1.41 1.32 1a5uG1 VAL 4652 H 0.04 0.36 0.27 -0.55 8.24 8.36 1a5uG1 VAL 4652 HA 0.04 0.42 0.93 -0.75 4.13 4.77 1a5uG1 VAL 4652 HB 0.01 -0.12 0.13 -0.04 2.12 2.10 1a5uG1 VAL 4652 HG13 0.01 0.01 -0.04 -0.04 0.97 0.91 1a5uG1 VAL 4652 HG23 0.04 0.04 -0.05 -0.04 0.95 0.95 1a5uG1 THR 4653 H 0.02 0.75 0.44 -0.55 8.28 8.95 1a5uG1 THR 4653 HA 0.03 0.14 0.95 -0.75 4.39 4.76 1a5uG1 THR 4653 HB 0.03 -0.01 -0.27 -0.04 4.32 4.03 1a5uG1 THR 4653 HG23 0.03 -0.01 -0.23 -0.04 1.22 0.97 1a5uG1 ARG 4654 H 0.05 0.12 0.26 -0.55 8.46 8.34 1a5uG1 ARG 4654 HA 0.06 0.34 0.99 -0.75 4.34 4.98 1a5uG1 ARG 4654 HB2 0.06 -0.10 0.12 -0.04 1.90 1.94 1a5uG1 ARG 4654 HB3 0.08 -0.01 0.15 -0.04 1.80 1.99 1a5uG1 ARG 4654 HG2 0.06 0.43 0.13 -0.04 1.67 2.24 1a5uG1 ARG 4654 HG3 0.04 -0.10 -0.09 -0.04 1.67 1.47 1a5uG1 ARG 4654 HD2 0.05 -0.11 -0.05 -0.04 3.22 3.07 1a5uG1 ARG 4654 HD3 0.05 -0.05 -0.00 -0.04 3.22 3.18 1a5uG1 ASN 4655 H 0.09 0.07 0.08 -0.55 8.53 8.22 1a5uG1 ASN 4655 HA 0.16 0.17 0.86 -0.75 4.76 5.20 1a5uG1 ASN 4655 HB2 0.07 -0.00 0.15 -0.04 2.88 3.06 1a5uG1 ASN 4655 HB3 0.07 0.11 0.26 -0.04 2.79 3.19 1a5uG1 ASN 4655 HD21 0.05 0.04 0.02 -0.04 7.03 7.09 1a5uG1 ASN 4655 HD22 0.05 0.04 0.05 -0.04 7.74 7.83 1a5uG1 HIS 4656 H 0.45 0.25 0.09 -0.55 8.41 8.66 1a5uG1 HIS 4656 HA 0.06 0.11 0.31 -0.75 4.63 4.36 1a5uG1 HIS 4656 HB2 0.05 -0.00 0.08 -0.04 3.26 3.35 1a5uG1 HIS 4656 HB3 0.08 0.06 0.00 -0.04 3.20 3.30 1a5uG1 HIS 4656 HD2 0.04 0.03 -0.02 -0.04 6.97 6.97 1a5uG1 HIS 4656 HE1 0.02 0.14 0.00 -0.04 7.75 7.87 1a5uG1 GLN 4657 H 0.12 0.10 -0.06 -0.55 8.47 8.08 1a5uG1 GLN 4657 HA 0.09 0.09 0.40 -0.75 4.36 4.19 1a5uG1 GLN 4657 HB2 0.05 0.01 0.09 -0.04 2.15 2.27 1a5uG1 GLN 4657 HB3 0.06 -0.04 0.04 -0.04 2.02 2.04 1a5uG1 GLN 4657 HG2 0.06 0.03 -0.05 -0.04 2.40 2.40 1a5uG1 GLN 4657 HG3 0.04 0.04 0.03 -0.04 2.39 2.46 1a5uG1 GLN 4657 HE21 0.03 -0.04 -0.01 -0.04 6.97 6.91 1a5uG1 GLN 4657 HE22 0.04 -0.07 -0.03 -0.04 7.69 7.59 1a5uG1 THR 4658 H 0.09 0.05 -0.43 -0.55 8.28 7.44 1a5uG1 THR 4658 HA 0.09 0.09 0.25 -0.75 4.39 4.06 1a5uG1 THR 4658 HB 0.06 0.14 0.03 -0.04 4.32 4.51 1a5uG1 THR 4658 HG23 0.05 -0.02 -0.51 -0.04 1.22 0.71 1a5uG1 ALA 4659 H 0.06 0.31 -0.21 -0.55 8.40 8.01 1a5uG1 ALA 4659 HA -0.01 0.01 0.25 -0.75 4.34 3.83 1a5uG1 ALA 4659 HB3 0.01 0.05 -0.01 -0.04 1.41 1.43 1a5uG1 ARG 4660 H 0.06 0.50 -0.11 -0.55 8.46 8.36 1a5uG1 ARG 4660 HA 0.05 0.10 0.25 -0.75 4.34 4.00 1a5uG1 ARG 4660 HB2 0.08 0.04 0.10 -0.04 1.90 2.08 1a5uG1 ARG 4660 HB3 0.09 -0.15 -0.11 -0.04 1.80 1.59 1a5uG1 ARG 4660 HG2 0.10 0.04 -0.31 -0.04 1.67 1.46 1a5uG1 ARG 4660 HG3 0.10 0.02 -0.06 -0.04 1.67 1.69 1a5uG1 ARG 4660 HD2 0.08 -0.05 -0.01 -0.04 3.22 3.20 1a5uG1 ARG 4660 HD3 0.08 0.12 0.02 -0.04 3.22 3.40 1a5uG1 GLN 4661 H 0.07 0.74 -0.09 -0.55 8.47 8.64 1a5uG1 GLN 4661 HA 0.09 -0.07 0.39 -0.75 4.36 4.02 1a5uG1 GLN 4661 HB2 0.11 0.10 0.12 -0.04 2.15 2.43 1a5uG1 GLN 4661 HB3 0.14 -0.06 0.02 -0.04 2.02 2.07 1a5uG1 GLN 4661 HG2 0.07 -0.07 0.06 -0.04 2.40 2.41 1a5uG1 GLN 4661 HG3 0.07 -0.02 0.10 -0.04 2.39 2.50 1a5uG1 GLN 4661 HE21 0.05 0.69 0.31 -0.04 6.97 7.98 1a5uG1 GLN 4661 HE22 0.04 0.38 0.33 -0.04 7.69 8.40 1a5uG1 ALA 4662 H 0.03 0.43 -0.50 -0.55 8.40 7.82 1a5uG1 ALA 4662 HA 0.18 -0.04 0.36 -0.75 4.34 4.09 1a5uG1 ALA 4662 HB3 0.00 0.04 -0.00 -0.04 1.41 1.40 1a5uG1 HIS 4663 H -0.02 0.40 -0.24 -0.55 8.41 8.01 1a5uG1 HIS 4663 HA -0.03 0.23 0.41 -0.75 4.63 4.48 1a5uG1 HIS 4663 HB2 0.01 0.09 0.03 -0.04 3.26 3.36 1a5uG1 HIS 4663 HB3 -0.02 -0.16 -0.03 -0.04 3.20 2.94 1a5uG1 HIS 4663 HD2 0.01 -0.17 0.10 -0.04 6.97 6.87 1a5uG1 HIS 4663 HE1 -0.05 -0.01 0.10 -0.04 7.75 7.75 1a5uG1 LEU 4664 H 0.09 0.26 -0.81 -0.55 8.37 7.37 1a5uG1 LEU 4664 HA -0.09 -0.06 0.33 -0.75 4.35 3.78 1a5uG1 LEU 4664 HB2 -0.04 0.52 0.10 -0.04 1.64 2.18 1a5uG1 LEU 4664 HB3 -0.81 -0.00 -0.18 -0.04 1.64 0.61 1a5uG1 LEU 4664 HG -0.24 -0.05 -0.10 -0.04 1.64 1.21 1a5uG1 LEU 4664 HD13 -0.01 -0.04 -0.18 -0.04 0.93 0.66 1a5uG1 LEU 4664 HD23 0.03 -0.02 -0.06 -0.04 0.89 0.79 1a5uG1 TYR 4665 H 0.14 0.65 -0.15 -0.55 8.29 8.38 1a5uG1 TYR 4665 HA -0.06 0.02 0.87 -0.75 4.56 4.65 1a5uG1 TYR 4665 HB2 -0.06 0.06 0.11 -0.04 3.06 3.13 1a5uG1 TYR 4665 HB3 -0.04 0.02 -0.02 -0.04 2.98 2.90 1a5uG1 TYR 4665 HD2 -0.17 0.10 0.04 -0.04 7.15 7.07 1a5uG1 TYR 4665 HE2 -0.22 0.09 0.00 -0.04 6.85 6.68 1a5uG1 ARG 4666 H 0.03 0.07 0.13 -0.55 8.46 8.15 1a5uG1 ARG 4666 HA 0.01 0.14 0.32 -0.75 4.34 4.05 1a5uG1 ARG 4666 HB2 0.01 -0.03 0.14 -0.04 1.90 1.97 1a5uG1 ARG 4666 HB3 0.05 0.05 0.07 -0.04 1.80 1.93 1a5uG1 ARG 4666 HG2 0.06 0.04 -0.13 -0.04 1.67 1.59 1a5uG1 ARG 4666 HG3 0.03 -0.06 -0.07 -0.04 1.67 1.52 1a5uG1 ARG 4666 HD2 0.00 -0.13 -0.15 -0.04 3.22 2.90 1a5uG1 ARG 4666 HD3 0.00 0.12 0.02 -0.04 3.22 3.32 1a5uG1 GLY 4667 H -0.01 0.46 0.16 -0.55 8.43 8.50 1a5uG1 GLY 4667 HA2 -0.01 -0.06 0.37 -0.51 4.01 3.80 1a5uG1 GLY 4667 HA3 0.06 0.07 0.28 -0.51 4.01 3.91 1a5uG1 ILE 4668 H 0.01 0.52 -0.23 -0.55 8.25 7.99 1a5uG1 ILE 4668 HA 0.09 0.10 0.96 -0.75 4.18 4.58 1a5uG1 ILE 4668 HB 0.08 0.20 0.08 -0.04 1.89 2.21 1a5uG1 ILE 4668 HG12 0.10 -0.12 -0.14 -0.04 1.49 1.28 1a5uG1 ILE 4668 HG13 0.11 0.25 -0.25 -0.04 1.21 1.28 1a5uG1 ILE 4668 HG23 0.07 -0.05 -0.23 -0.04 0.93 0.68 1a5uG1 ILE 4668 HD13 0.15 -0.04 -0.18 -0.04 0.88 0.77 1a5uG1 PHE 4669 H 0.24 0.84 0.32 -0.55 8.34 9.19 1a5uG1 PHE 4669 HA 0.09 0.24 0.86 -0.75 4.62 5.06 1a5uG1 PHE 4669 HB2 0.10 -0.05 0.03 -0.04 3.15 3.19 1a5uG1 PHE 4669 HB3 0.15 -0.01 -0.05 -0.04 3.06 3.11 1a5uG1 PHE 4669 HD2 0.07 -0.00 -0.11 -0.04 7.28 7.20 1a5uG1 PHE 4669 HE2 0.04 -0.05 -0.20 -0.04 7.38 7.13 1a5uG1 PHE 4669 HZ 0.11 -0.11 0.06 -0.04 7.32 7.34 1a5uG1 PRO 4670 HA 0.04 0.04 0.49 -0.51 4.44 4.50 1a5uG1 PRO 4670 HB2 -0.06 -0.11 -0.13 -0.04 2.28 1.94 1a5uG1 PRO 4670 HB3 -0.09 -0.06 0.09 -0.04 2.02 1.93 1a5uG1 PRO 4670 HG2 -0.29 0.03 0.12 -0.04 2.03 1.85 1a5uG1 PRO 4670 HG3 -0.69 0.15 0.11 -0.04 2.03 1.56 1a5uG1 PRO 4670 HD2 0.01 0.12 0.24 -0.04 3.68 4.02 1a5uG1 PRO 4670 HD3 -0.21 0.42 0.10 -0.04 3.65 3.92 1a5uG1 VAL 4671 H 0.05 0.99 0.39 -0.55 8.24 9.12 1a5uG1 VAL 4671 HA 0.07 0.27 1.11 -0.75 4.13 4.83 1a5uG1 VAL 4671 HB 0.06 -0.13 -0.10 -0.04 2.12 1.91 1a5uG1 VAL 4671 HG13 0.05 -0.01 -0.27 -0.04 0.97 0.70 1a5uG1 VAL 4671 HG23 0.09 0.06 -0.27 -0.04 0.95 0.78 1a5uG1 VAL 4672 H 0.08 0.27 0.14 -0.55 8.24 8.19 1a5uG1 VAL 4672 HA -0.04 0.19 0.74 -0.75 4.13 4.28 1a5uG1 VAL 4672 HB 0.07 0.06 0.10 -0.04 2.12 2.31 1a5uG1 VAL 4672 HG13 -0.37 -0.02 -0.26 -0.04 0.97 0.28 1a5uG1 VAL 4672 HG23 -0.11 -0.01 -0.13 -0.04 0.95 0.66 1a5uG1 CYS 4673 H -0.02 0.83 0.39 -0.55 8.50 9.15 1a5uG1 CYS 4673 HA -0.00 0.13 1.06 -0.75 4.58 5.02 1a5uG1 CYS 4673 HB2 0.00 0.03 -0.02 -0.04 2.97 2.94 1a5uG1 CYS 4673 HB3 0.01 -0.04 -0.01 -0.04 2.97 2.89 1a5uG1 LYS 4674 H -0.00 0.18 0.19 -0.55 8.42 8.23 1a5uG1 LYS 4674 HA 0.05 0.16 0.72 -0.75 4.32 4.50 1a5uG1 LYS 4674 HB2 -0.02 0.05 0.09 -0.04 1.87 1.94 1a5uG1 LYS 4674 HB3 0.00 -0.02 0.05 -0.04 1.79 1.78 1a5uG1 LYS 4674 HG2 0.08 -0.01 0.06 -0.04 1.46 1.55 1a5uG1 LYS 4674 HG3 0.02 0.00 -0.12 -0.04 1.46 1.32 1a5uG1 LYS 4674 HD2 -0.07 0.06 -0.02 -0.04 1.69 1.61 1a5uG1 LYS 4674 HD3 -0.01 -0.01 -0.00 -0.04 1.68 1.61 1a5uG1 LYS 4674 HE2 0.04 -0.04 -0.00 -0.04 2.99 2.95 1a5uG1 LYS 4674 HE3 0.21 -0.02 -0.02 -0.04 2.99 3.13 1a5uG1 ASP 4675 H 0.01 -0.04 -0.04 -0.55 8.40 7.78 1a5uG1 ASP 4675 HA 0.01 0.08 0.41 -0.75 4.63 4.37 1a5uG1 ASP 4675 HB2 -0.00 -0.01 -0.09 -0.04 2.71 2.57 1a5uG1 ASP 4675 HB3 -0.00 0.03 0.11 -0.04 2.70 2.80 1a5uG1 PRO 4676 HA 0.02 0.20 0.72 -0.51 4.44 4.88 1a5uG1 PRO 4676 HB2 0.01 0.04 -0.08 -0.04 2.28 2.21 1a5uG1 PRO 4676 HB3 0.02 0.05 0.06 -0.04 2.02 2.10 1a5uG1 PRO 4676 HG2 0.01 -0.01 -0.00 -0.04 2.03 1.98 1a5uG1 PRO 4676 HG3 0.01 0.05 0.03 -0.04 2.03 2.08 1a5uG1 PRO 4676 HD2 0.00 0.05 0.19 -0.04 3.68 3.88 1a5uG1 PRO 4676 HD3 0.01 0.22 0.16 -0.04 3.65 3.99 1a5uG1 VAL 4677 H 0.03 0.11 0.09 -0.55 8.24 7.92 1a5uG1 VAL 4677 HA 0.03 0.03 0.43 -0.75 4.13 3.86 1a5uG1 VAL 4677 HB 0.05 -0.00 0.06 -0.04 2.12 2.19 1a5uG1 VAL 4677 HG13 0.10 0.04 -0.07 -0.04 0.97 1.00 1a5uG1 VAL 4677 HG23 0.05 0.01 0.05 -0.04 0.95 1.02 1a5uG1 GLN 4678 H 0.01 0.09 0.15 -0.55 8.47 8.18 1a5uG1 GLN 4678 HA 0.01 0.10 0.39 -0.75 4.36 4.11 1a5uG1 GLN 4678 HB2 -0.01 -0.04 -0.02 -0.04 2.15 2.04 1a5uG1 GLN 4678 HB3 -0.00 -0.15 0.04 -0.04 2.02 1.87 1a5uG1 GLN 4678 HG2 -0.02 0.11 0.01 -0.04 2.40 2.47 1a5uG1 GLN 4678 HG3 -0.03 0.04 -0.30 -0.04 2.39 2.06 1a5uG1 GLN 4678 HE21 -0.00 -0.01 -0.04 -0.04 6.97 6.87 1a5uG1 GLN 4678 HE22 -0.00 0.20 -0.04 -0.04 7.69 7.80 1a5uG1 GLU 4679 H 0.02 0.16 0.15 -0.55 8.60 8.38 1a5uG1 GLU 4679 HA 0.04 0.19 0.48 -0.75 4.29 4.24 1a5uG1 GLU 4679 HB2 0.02 0.00 0.11 -0.04 2.09 2.17 1a5uG1 GLU 4679 HB3 0.02 0.06 0.10 -0.04 1.99 2.13 1a5uG1 GLU 4679 HG2 0.01 0.02 0.10 -0.04 2.34 2.43 1a5uG1 GLU 4679 HG3 0.01 -0.05 0.03 -0.04 2.34 2.29 1a5uG1 ALA 4680 H 0.02 0.04 -0.33 -0.55 8.40 7.59 1a5uG1 ALA 4680 HA 0.06 0.24 0.96 -0.75 4.34 4.84 1a5uG1 ALA 4680 HB3 0.01 0.02 0.06 -0.04 1.41 1.46 1a5uG1 TRP 4681 H 0.22 0.30 0.09 -0.55 7.97 8.04 1a5uG1 TRP 4681 HA -0.05 0.10 0.31 -0.75 4.62 4.22 1a5uG1 TRP 4681 HB2 -0.08 0.07 0.15 -0.04 3.23 3.33 1a5uG1 TRP 4681 HB3 -0.13 -0.03 0.15 -0.04 3.23 3.18 1a5uG1 TRP 4681 HD1 -0.27 0.06 -0.02 -0.04 7.22 6.95 1a5uG1 TRP 4681 HE1 -0.14 0.32 -0.59 -0.04 10.20 9.75 1a5uG1 TRP 4681 HE3 -0.04 0.02 0.01 -0.04 7.59 7.55 1a5uG1 TRP 4681 HZ2 -0.01 0.08 -0.22 -0.04 7.44 7.25 1a5uG1 TRP 4681 HZ3 -0.01 0.02 -0.03 -0.04 7.13 7.06 1a5uG1 TRP 4681 HH2 -0.00 -0.05 -0.07 -0.04 7.19 7.03 1a5uG1 ALA 4682 H 0.05 0.11 -0.19 -0.55 8.40 7.82 1a5uG1 ALA 4682 HA -0.28 0.12 0.34 -0.75 4.34 3.77 1a5uG1 ALA 4682 HB3 -0.07 0.02 0.04 -0.04 1.41 1.36 1a5uG1 GLU 4683 H -0.06 0.05 -0.24 -0.55 8.60 7.80 1a5uG1 GLU 4683 HA -0.07 0.06 0.34 -0.75 4.29 3.86 1a5uG1 GLU 4683 HB2 -0.03 0.08 0.15 -0.04 2.09 2.25 1a5uG1 GLU 4683 HB3 -0.03 0.03 0.03 -0.04 1.99 1.97 1a5uG1 GLU 4683 HG2 -0.03 0.04 0.03 -0.04 2.34 2.34 1a5uG1 GLU 4683 HG3 -0.02 -0.11 0.07 -0.04 2.34 2.24 1a5uG1 ASP 4684 H -0.10 0.61 -0.14 -0.55 8.40 8.22 1a5uG1 ASP 4684 HA -0.08 0.01 0.42 -0.75 4.63 4.22 1a5uG1 ASP 4684 HB2 -0.01 0.04 -0.01 -0.04 2.71 2.69 1a5uG1 ASP 4684 HB3 -0.28 0.16 0.10 -0.04 2.70 2.63 1a5uG1 VAL 4685 H -0.46 0.64 -0.12 -0.55 8.24 7.75 1a5uG1 VAL 4685 HA -0.36 0.01 0.48 -0.75 4.13 3.50 1a5uG1 VAL 4685 HB -0.47 0.11 0.21 -0.04 2.12 1.94 1a5uG1 VAL 4685 HG13 -0.24 -0.01 -0.18 -0.04 0.97 0.49 1a5uG1 VAL 4685 HG23 -1.29 0.05 -0.01 -0.04 0.95 -0.34 1a5uG1 ASP 4686 H -0.19 0.92 0.14 -0.55 8.40 8.72 1a5uG1 ASP 4686 HA -0.10 0.03 0.45 -0.75 4.63 4.26 1a5uG1 ASP 4686 HB2 -0.08 0.01 0.05 -0.04 2.71 2.64 1a5uG1 ASP 4686 HB3 -0.06 0.00 0.09 -0.04 2.70 2.69 1a5uG1 LEU 4687 H -0.11 0.32 -0.70 -0.55 8.37 7.33 1a5uG1 LEU 4687 HA -0.04 0.07 0.52 -0.75 4.35 4.15 1a5uG1 LEU 4687 HB2 -0.05 -0.03 0.06 -0.04 1.64 1.59 1a5uG1 LEU 4687 HB3 -0.07 0.13 0.15 -0.04 1.64 1.81 1a5uG1 LEU 4687 HG -0.03 -0.00 -0.49 -0.04 1.64 1.08 1a5uG1 LEU 4687 HD13 -0.02 -0.01 0.01 -0.04 0.93 0.87 1a5uG1 LEU 4687 HD23 -0.02 -0.02 -0.05 -0.04 0.89 0.75 1a5uG1 ARG 4688 H -0.10 0.45 -0.00 -0.55 8.46 8.25 1a5uG1 ARG 4688 HA -0.03 0.05 0.54 -0.75 4.34 4.15 1a5uG1 ARG 4688 HB2 -0.11 0.03 0.23 -0.04 1.90 2.01 1a5uG1 ARG 4688 HB3 -0.04 -0.03 0.02 -0.04 1.80 1.71 1a5uG1 ARG 4688 HG2 -0.03 -0.03 -0.01 -0.04 1.67 1.56 1a5uG1 ARG 4688 HG3 -0.07 0.22 0.12 -0.04 1.67 1.90 1a5uG1 ARG 4688 HD2 -0.04 -0.00 -0.05 -0.04 3.22 3.08 1a5uG1 ARG 4688 HD3 -0.02 -0.03 -0.08 -0.04 3.22 3.05 1a5uG1 VAL 4689 H -0.08 0.89 -0.02 -0.55 8.24 8.48 1a5uG1 VAL 4689 HA -0.02 0.01 0.27 -0.75 4.13 3.64 1a5uG1 VAL 4689 HB -0.06 0.03 0.05 -0.04 2.12 2.10 1a5uG1 VAL 4689 HG13 -0.03 -0.00 -0.24 -0.04 0.97 0.65 1a5uG1 VAL 4689 HG23 -0.07 0.03 -0.07 -0.04 0.95 0.80 1a5uG1 ASN 4690 H -0.03 0.44 -0.47 -0.55 8.53 7.92 1a5uG1 ASN 4690 HA -0.00 -0.01 0.40 -0.75 4.76 4.40 1a5uG1 ASN 4690 HB2 -0.03 0.38 0.24 -0.04 2.88 3.43 1a5uG1 ASN 4690 HB3 -0.01 -0.01 0.06 -0.04 2.79 2.79 1a5uG1 ASN 4690 HD21 0.00 -0.01 0.03 -0.04 7.03 7.00 1a5uG1 ASN 4690 HD22 0.00 0.01 0.01 -0.04 7.74 7.72 1a5uG1 LEU 4691 H -0.00 0.45 -0.50 -0.55 8.37 7.77 1a5uG1 LEU 4691 HA 0.02 -0.01 0.45 -0.75 4.35 4.05 1a5uG1 LEU 4691 HB2 0.00 0.00 0.14 -0.04 1.64 1.74 1a5uG1 LEU 4691 HB3 0.01 0.20 0.23 -0.04 1.64 2.04 1a5uG1 LEU 4691 HG 0.03 0.03 -0.20 -0.04 1.64 1.46 1a5uG1 LEU 4691 HD13 0.02 -0.01 -0.03 -0.04 0.93 0.87 1a5uG1 LEU 4691 HD23 0.01 0.01 -0.10 -0.04 0.89 0.78 1a5uG1 ALA 4692 H 0.03 0.39 -0.05 -0.55 8.40 8.22 1a5uG1 ALA 4692 HA 0.09 0.04 0.28 -0.75 4.34 3.99 1a5uG1 ALA 4692 HB3 0.08 0.05 0.06 -0.04 1.41 1.55 1a5uG1 MET 4693 H 0.06 0.39 -0.53 -0.55 8.47 7.85 1a5uG1 MET 4693 HA 0.25 0.01 0.33 -0.75 4.52 4.35 1a5uG1 MET 4693 HB2 0.03 0.06 0.05 -0.04 2.15 2.24 1a5uG1 MET 4693 HB3 0.05 0.03 0.04 -0.04 2.03 2.11 1a5uG1 MET 4693 HG2 -0.00 -0.05 -0.04 -0.04 2.63 2.50 1a5uG1 MET 4693 HG3 0.06 -0.03 -0.05 -0.04 2.56 2.49 1a5uG1 MET 4693 HE3 -0.50 -0.00 -0.22 -0.04 2.10 1.34 1a5uG1 ASN 4694 H 0.06 0.55 -0.04 -0.55 8.53 8.56 1a5uG1 ASN 4694 HA 0.04 -0.04 0.37 -0.75 4.76 4.37 1a5uG1 ASN 4694 HB2 0.02 0.17 0.18 -0.04 2.88 3.21 1a5uG1 ASN 4694 HB3 0.01 -0.08 0.05 -0.04 2.79 2.73 1a5uG1 ASN 4694 HD21 0.01 -0.08 0.00 -0.04 7.03 6.92 1a5uG1 ASN 4694 HD22 0.01 -0.00 0.02 -0.04 7.74 7.73 1a5uG1 VAL 4695 H 0.04 0.47 -0.29 -0.55 8.24 7.92 1a5uG1 VAL 4695 HA -0.08 0.14 0.58 -0.75 4.13 4.02 1a5uG1 VAL 4695 HB 0.04 0.02 0.10 -0.04 2.12 2.25 1a5uG1 VAL 4695 HG13 -0.03 0.04 -0.12 -0.04 0.97 0.82 1a5uG1 VAL 4695 HG23 0.02 0.08 -0.04 -0.04 0.95 0.97 1a5uG1 GLY 4696 H 0.03 0.62 -0.04 -0.55 8.43 8.49 1a5uG1 GLY 4696 HA2 -0.54 0.07 0.37 -0.51 4.01 3.39 1a5uG1 GLY 4696 HA3 -0.83 0.06 0.23 -0.51 4.01 2.97 1a5uG1 LYS 4697 H -0.09 0.46 -0.26 -0.55 8.42 7.99 1a5uG1 LYS 4697 HA -0.12 0.32 0.52 -0.75 4.32 4.29 1a5uG1 LYS 4697 HB2 0.04 0.15 0.16 -0.04 1.87 2.17 1a5uG1 LYS 4697 HB3 -0.02 -0.01 -0.08 -0.04 1.79 1.64 1a5uG1 LYS 4697 HG2 0.07 -0.07 0.01 -0.04 1.46 1.43 1a5uG1 LYS 4697 HG3 0.25 0.00 -0.10 -0.04 1.46 1.58 1a5uG1 LYS 4697 HD2 0.14 0.09 -0.25 -0.04 1.69 1.63 1a5uG1 LYS 4697 HD3 0.06 -0.02 -0.08 -0.04 1.68 1.60 1a5uG1 LYS 4697 HE2 0.06 -0.03 -0.09 -0.04 2.99 2.89 1a5uG1 LYS 4697 HE3 0.09 -0.08 -0.23 -0.04 2.99 2.73 1a5uG1 ALA 4698 H -0.14 0.52 -0.14 -0.55 8.40 8.09 1a5uG1 ALA 4698 HA -0.11 -0.05 0.44 -0.75 4.34 3.87 1a5uG1 ALA 4698 HB3 -0.11 0.02 0.14 -0.04 1.41 1.42 1a5uG1 ARG 4699 H -0.50 0.43 -0.25 -0.55 8.46 7.59 1a5uG1 ARG 4699 HA -0.37 0.10 0.61 -0.75 4.34 3.92 1a5uG1 ARG 4699 HB2 -1.77 -0.03 0.06 -0.04 1.90 0.11 1a5uG1 ARG 4699 HB3 -1.04 -0.02 0.11 -0.04 1.80 0.81 1a5uG1 ARG 4699 HG2 -0.33 -0.03 -0.04 -0.04 1.67 1.23 1a5uG1 ARG 4699 HG3 -0.40 0.17 0.04 -0.04 1.67 1.44 1a5uG1 ARG 4699 HD2 -0.46 -0.05 -0.11 -0.04 3.22 2.55 1a5uG1 ARG 4699 HD3 -0.44 -0.04 -0.05 -0.04 3.22 2.66 1a5uG1 GLY 4700 H -0.32 0.34 -0.64 -0.55 8.43 7.27 1a5uG1 GLY 4700 HA2 -0.13 0.05 0.33 -0.51 4.01 3.75 1a5uG1 GLY 4700 HA3 -0.11 0.01 0.43 -0.51 4.01 3.82 1a5uG1 PHE 4701 H -0.53 0.70 -0.03 -0.55 8.34 7.93 1a5uG1 PHE 4701 HA -0.21 0.03 0.60 -0.75 4.62 4.28 1a5uG1 PHE 4701 HB2 -0.97 -0.07 0.10 -0.04 3.15 2.17 1a5uG1 PHE 4701 HB3 -0.42 0.01 0.01 -0.04 3.06 2.62 1a5uG1 PHE 4701 HD2 -0.28 -0.03 -0.20 -0.04 7.28 6.74 1a5uG1 PHE 4701 HE2 -0.48 0.02 -0.15 -0.04 7.38 6.73 1a5uG1 PHE 4701 HZ -0.79 0.03 -0.05 -0.04 7.32 6.46 1a5uG1 PHE 4702 H -0.32 0.41 -0.07 -0.55 8.34 7.80 1a5uG1 PHE 4702 HA 0.05 0.07 0.29 -0.75 4.62 4.27 1a5uG1 PHE 4702 HB2 0.03 -0.07 0.08 -0.04 3.15 3.15 1a5uG1 PHE 4702 HB3 0.05 0.17 0.18 -0.04 3.06 3.41 1a5uG1 PHE 4702 HD2 0.04 0.10 -0.48 -0.04 7.28 6.90 1a5uG1 PHE 4702 HE2 0.05 0.09 -0.15 -0.04 7.38 7.33 1a5uG1 PHE 4702 HZ 0.05 0.10 -0.10 -0.04 7.32 7.32 1a5uG1 LYS 4703 H 0.22 0.15 0.12 -0.55 8.42 8.37 1a5uG1 LYS 4703 HA 0.15 0.21 0.80 -0.75 4.32 4.72 1a5uG1 LYS 4703 HB2 0.06 -0.01 0.17 -0.04 1.87 2.05 1a5uG1 LYS 4703 HB3 0.06 0.06 0.11 -0.04 1.79 1.97 1a5uG1 LYS 4703 HG2 0.08 -0.01 -0.18 -0.04 1.46 1.31 1a5uG1 LYS 4703 HG3 0.07 0.01 -0.01 -0.04 1.46 1.50 1a5uG1 LYS 4703 HD2 0.03 -0.02 0.02 -0.04 1.69 1.68 1a5uG1 LYS 4703 HD3 0.03 0.03 -0.03 -0.04 1.68 1.67 1a5uG1 LYS 4703 HE2 0.04 0.00 -0.01 -0.04 2.99 2.99 1a5uG1 LYS 4703 HE3 0.03 -0.02 0.00 -0.04 2.99 2.96 1a5uG1 LYS 4704 H 0.05 0.12 0.13 -0.55 8.42 8.17 1a5uG1 LYS 4704 HA 0.02 0.07 0.24 -0.75 4.32 3.90 1a5uG1 LYS 4704 HB2 0.02 -0.04 0.16 -0.04 1.87 1.97 1a5uG1 LYS 4704 HB3 0.01 0.05 -0.02 -0.04 1.79 1.79 1a5uG1 LYS 4704 HG2 0.02 -0.35 -0.05 -0.04 1.46 1.04 1a5uG1 LYS 4704 HG3 0.03 -0.01 0.02 -0.04 1.46 1.45 1a5uG1 LYS 4704 HD2 0.01 -0.06 0.02 -0.04 1.69 1.62 1a5uG1 LYS 4704 HD3 0.01 0.00 0.05 -0.04 1.68 1.70 1a5uG1 LYS 4704 HE2 0.01 0.46 0.01 -0.04 2.99 3.43 1a5uG1 LYS 4704 HE3 0.01 -0.08 0.01 -0.04 2.99 2.89 1a5uG1 GLY 4705 H -0.01 1.07 0.37 -0.55 8.43 9.31 1a5uG1 GLY 4705 HA2 -0.01 -0.03 0.41 -0.51 4.01 3.87 1a5uG1 GLY 4705 HA3 0.00 0.10 0.71 -0.51 4.01 4.31 1a5uG1 ASP 4706 H 0.01 0.27 -0.62 -0.55 8.40 7.51 1a5uG1 ASP 4706 HA 0.00 0.08 0.36 -0.75 4.63 4.32 1a5uG1 ASP 4706 HB2 0.02 0.11 0.13 -0.04 2.71 2.93 1a5uG1 ASP 4706 HB3 0.03 0.05 0.18 -0.04 2.70 2.93 1a5uG1 VAL 4707 H -0.03 0.23 0.32 -0.55 8.24 8.21 1a5uG1 VAL 4707 HA -0.09 0.31 1.49 -0.75 4.13 5.09 1a5uG1 VAL 4707 HB -0.04 0.00 -0.05 -0.04 2.12 1.99 1a5uG1 VAL 4707 HG13 -0.03 -0.00 -0.13 -0.04 0.97 0.77 1a5uG1 VAL 4707 HG23 -0.02 -0.02 0.09 -0.04 0.95 0.96 1a5uG1 VAL 4708 H -0.12 1.11 0.45 -0.55 8.24 9.14 1a5uG1 VAL 4708 HA -0.08 0.09 1.04 -0.75 4.13 4.42 1a5uG1 VAL 4708 HB -0.11 0.21 0.01 -0.04 2.12 2.18 1a5uG1 VAL 4708 HG13 -0.56 -0.01 -0.31 -0.04 0.97 0.04 1a5uG1 VAL 4708 HG23 -0.15 -0.02 -0.31 -0.04 0.95 0.42 1a5uG1 ILE 4709 H -0.04 0.71 0.43 -0.55 8.25 8.80 1a5uG1 ILE 4709 HA -0.04 0.22 1.07 -0.75 4.18 4.67 1a5uG1 ILE 4709 HB -0.03 -0.02 0.16 -0.04 1.89 1.96 1a5uG1 ILE 4709 HG12 -0.04 -0.01 -0.10 -0.04 1.49 1.31 1a5uG1 ILE 4709 HG13 -0.04 -0.03 -0.11 -0.04 1.21 0.99 1a5uG1 ILE 4709 HG23 -0.03 -0.01 -0.12 -0.04 0.93 0.73 1a5uG1 ILE 4709 HD13 -0.06 0.01 -0.22 -0.04 0.88 0.57 1a5uG1 VAL 4710 H -0.02 1.17 0.45 -0.55 8.24 9.28 1a5uG1 VAL 4710 HA -0.01 0.24 1.30 -0.75 4.13 4.90 1a5uG1 VAL 4710 HB -0.02 -0.04 0.02 -0.04 2.12 2.04 1a5uG1 VAL 4710 HG13 -0.02 -0.02 -0.15 -0.04 0.97 0.74 1a5uG1 VAL 4710 HG23 -0.04 0.01 -0.25 -0.04 0.95 0.63 1a5uG1 LEU 4711 H 0.01 0.76 0.36 -0.55 8.37 8.95 1a5uG1 LEU 4711 HA 0.01 0.35 1.30 -0.75 4.35 5.26 1a5uG1 LEU 4711 HB2 0.02 0.08 0.09 -0.04 1.64 1.79 1a5uG1 LEU 4711 HB3 0.03 -0.13 -0.02 -0.04 1.64 1.47 1a5uG1 LEU 4711 HG 0.01 0.01 -0.28 -0.04 1.64 1.34 1a5uG1 LEU 4711 HD13 0.03 0.01 -0.15 -0.04 0.93 0.77 1a5uG1 LEU 4711 HD23 0.02 0.02 -0.16 -0.04 0.89 0.73 1a5uG1 THR 4712 H 0.03 0.78 0.31 -0.55 8.28 8.85 1a5uG1 THR 4712 HA 0.03 0.13 0.86 -0.75 4.39 4.65 1a5uG1 THR 4712 HB -0.00 -0.04 0.08 -0.04 4.32 4.32 1a5uG1 THR 4712 HG23 -0.04 -0.00 -0.32 -0.04 1.22 0.81 1a5uG1 GLY 4713 H 0.18 0.21 0.15 -0.55 8.43 8.43 1a5uG1 GLY 4713 HA2 0.11 -0.03 1.05 -0.51 4.01 4.62 1a5uG1 GLY 4713 HA3 0.29 0.05 0.39 -0.51 4.01 4.22 1a5uG1 TRP 4714 H 0.32 0.12 0.13 -0.55 7.97 7.99 1a5uG1 TRP 4714 HA 0.14 0.05 0.30 -0.75 4.62 4.36 1a5uG1 TRP 4714 HB2 -0.02 0.02 0.09 -0.04 3.23 3.28 1a5uG1 TRP 4714 HB3 -0.01 0.00 0.03 -0.04 3.23 3.21 1a5uG1 TRP 4714 HD1 -0.01 0.01 -0.07 -0.04 7.22 7.10 1a5uG1 TRP 4714 HE1 0.01 -0.00 -0.02 -0.04 10.20 10.15 1a5uG1 TRP 4714 HE3 0.06 -0.04 -0.04 -0.04 7.59 7.52 1a5uG1 TRP 4714 HZ2 0.02 -0.00 0.00 -0.04 7.44 7.42 1a5uG1 TRP 4714 HZ3 0.02 0.01 -0.04 -0.04 7.13 7.08 1a5uG1 TRP 4714 HH2 0.02 0.01 -0.01 -0.04 7.19 7.17 1a5uG1 ARG 4715 H 0.12 0.15 -0.15 -0.55 8.46 8.02 1a5uG1 ARG 4715 HA -1.00 0.13 0.56 -0.75 4.34 3.28 1a5uG1 ARG 4715 HB2 -0.36 0.15 -0.06 -0.04 1.90 1.59 1a5uG1 ARG 4715 HB3 -0.56 -0.03 0.16 -0.04 1.80 1.33 1a5uG1 ARG 4715 HG2 -0.49 0.15 -0.59 -0.04 1.67 0.71 1a5uG1 ARG 4715 HG3 0.01 -0.04 -0.19 -0.04 1.67 1.41 1a5uG1 ARG 4715 HD2 -0.05 0.00 -0.04 -0.04 3.22 3.09 1a5uG1 ARG 4715 HD3 -0.22 -0.01 0.00 -0.04 3.22 2.95 1a5uG1 PRO 4716 HA -1.40 0.01 0.43 -0.51 4.44 2.97 1a5uG1 PRO 4716 HB2 -0.43 0.08 -0.07 -0.04 2.28 1.82 1a5uG1 PRO 4716 HB3 -0.58 0.03 0.10 -0.04 2.02 1.53 1a5uG1 PRO 4716 HG2 -0.48 0.07 0.07 -0.04 2.03 1.65 1a5uG1 PRO 4716 HG3 -0.57 0.03 0.08 -0.04 2.03 1.53 1a5uG1 PRO 4716 HD2 -0.95 0.14 0.22 -0.04 3.68 3.05 1a5uG1 PRO 4716 HD3 -2.95 0.10 0.13 -0.04 3.65 0.88 1a5uG1 GLY 4717 H -0.19 0.09 0.16 -0.55 8.43 7.95 1a5uG1 GLY 4717 HA2 -0.03 -0.04 0.37 -0.51 4.01 3.80 1a5uG1 GLY 4717 HA3 -0.09 0.10 0.32 -0.51 4.01 3.83 1a5uG1 SER 4718 H -0.03 0.07 -0.14 -0.55 8.46 7.82 1a5uG1 SER 4718 HA 0.01 0.17 0.57 -0.75 4.49 4.49 1a5uG1 SER 4718 HB2 0.08 0.01 0.19 -0.04 3.95 4.19 1a5uG1 SER 4718 HB3 -0.00 0.01 0.16 -0.04 3.93 4.06 1a5uG1 GLY 4719 H 0.09 -0.03 -0.12 -0.55 8.43 7.82 1a5uG1 GLY 4719 HA2 0.11 0.00 0.28 -0.51 4.01 3.89 1a5uG1 GLY 4719 HA3 0.22 0.24 0.63 -0.51 4.01 4.59 1a5uG1 PHE 4720 H 0.21 0.25 -0.49 -0.55 8.34 7.76 1a5uG1 PHE 4720 HA 0.03 0.04 0.37 -0.75 4.62 4.31 1a5uG1 PHE 4720 HB2 0.02 -0.07 0.09 -0.04 3.15 3.15 1a5uG1 PHE 4720 HB3 0.02 0.14 -0.07 -0.04 3.06 3.11 1a5uG1 PHE 4720 HD2 0.03 -0.01 -0.23 -0.04 7.28 7.03 1a5uG1 PHE 4720 HE2 0.01 0.15 -0.19 -0.04 7.38 7.32 1a5uG1 PHE 4720 HZ 0.01 0.04 -0.07 -0.04 7.32 7.25 1a5uG1 THR 4721 H 0.18 0.18 0.01 -0.55 8.28 8.10 1a5uG1 THR 4721 HA -0.01 0.09 0.32 -0.75 4.39 4.04 1a5uG1 THR 4721 HB 0.06 0.02 -0.08 -0.04 4.32 4.28 1a5uG1 THR 4721 HG23 0.09 0.00 0.05 -0.04 1.22 1.32 1a5uG1 ASN 4722 H -0.19 0.11 0.33 -0.55 8.53 8.24 1a5uG1 ASN 4722 HA -0.39 0.22 0.78 -0.75 4.76 4.61 1a5uG1 ASN 4722 HB2 -0.37 0.04 0.15 -0.04 2.88 2.66 1a5uG1 ASN 4722 HB3 -1.19 -0.02 -0.06 -0.04 2.79 1.48 1a5uG1 ASN 4722 HD21 0.07 -0.09 0.10 -0.04 7.03 7.07 1a5uG1 ASN 4722 HD22 -0.17 0.10 0.06 -0.04 7.74 7.69 1a5uG1 THR 4723 H -0.03 0.60 0.07 -0.55 8.28 8.37 1a5uG1 THR 4723 HA -0.07 0.19 0.95 -0.75 4.39 4.70 1a5uG1 THR 4723 HB 0.16 -0.10 -0.15 -0.04 4.32 4.19 1a5uG1 THR 4723 HG23 0.14 0.03 -0.23 -0.04 1.22 1.12 1a5uG1 MET 4724 H -0.04 0.21 0.13 -0.55 8.47 8.22 1a5uG1 MET 4724 HA -0.00 0.45 1.15 -0.75 4.52 5.36 1a5uG1 MET 4724 HB2 -0.02 -0.02 -0.13 -0.04 2.15 1.95 1a5uG1 MET 4724 HB3 -0.03 -0.03 0.05 -0.04 2.03 1.98 1a5uG1 MET 4724 HG2 -0.01 0.08 -0.03 -0.04 2.63 2.62 1a5uG1 MET 4724 HG3 -0.02 0.02 -0.10 -0.04 2.56 2.42 1a5uG1 MET 4724 HE3 -0.03 0.00 -0.15 -0.04 2.10 1.89 1a5uG1 ARG 4725 H -0.01 0.74 0.40 -0.55 8.46 9.04 1a5uG1 ARG 4725 HA -0.01 0.29 1.31 -0.75 4.34 5.17 1a5uG1 ARG 4725 HB2 -0.00 -0.06 -0.04 -0.04 1.90 1.76 1a5uG1 ARG 4725 HB3 -0.01 0.10 -0.23 -0.04 1.80 1.62 1a5uG1 ARG 4725 HG2 0.01 0.04 -0.03 -0.04 1.67 1.65 1a5uG1 ARG 4725 HG3 0.03 -0.05 -0.37 -0.04 1.67 1.24 1a5uG1 ARG 4725 HD2 0.01 0.05 -0.11 -0.04 3.22 3.12 1a5uG1 ARG 4725 HD3 0.05 -0.03 -0.09 -0.04 3.22 3.11 1a5uG1 VAL 4726 H -0.02 0.21 0.17 -0.55 8.24 8.05 1a5uG1 VAL 4726 HA -0.03 0.24 0.98 -0.75 4.13 4.56 1a5uG1 VAL 4726 HB -0.02 -0.04 0.17 -0.04 2.12 2.18 1a5uG1 VAL 4726 HG13 -0.03 0.02 -0.07 -0.04 0.97 0.85 1a5uG1 VAL 4726 HG23 -0.03 0.00 -0.12 -0.04 0.95 0.77 1a5uG1 VAL 4727 H -0.05 0.83 0.38 -0.55 8.24 8.86 1a5uG1 VAL 4727 HA -0.04 0.16 0.85 -0.75 4.13 4.35 1a5uG1 VAL 4727 HB -0.07 0.03 -0.05 -0.04 2.12 1.99 1a5uG1 VAL 4727 HG13 -0.06 -0.00 -0.17 -0.04 0.97 0.70 1a5uG1 VAL 4727 HG23 -0.03 -0.03 -0.38 -0.04 0.95 0.47 1a5uG1 PRO 4728 HA -0.07 0.41 0.89 -0.51 4.44 5.16 1a5uG1 PRO 4728 HB2 -0.04 -0.05 -0.20 -0.04 2.28 1.96 1a5uG1 PRO 4728 HB3 -0.03 0.15 0.06 -0.04 2.02 2.15 1a5uG1 PRO 4728 HG2 -0.03 -0.03 0.06 -0.04 2.03 1.99 1a5uG1 PRO 4728 HG3 -0.02 0.04 0.03 -0.04 2.03 2.04 1a5uG1 PRO 4728 HD2 -0.03 0.05 0.24 -0.04 3.68 3.90 1a5uG1 PRO 4728 HD3 -0.03 0.18 0.11 -0.04 3.65 3.87 1a5uG1 VAL 4729 H -0.10 1.05 0.08 -0.55 8.24 8.72 1a5uG1 VAL 4729 HA -0.13 0.14 0.47 -0.75 4.13 3.85 1a5uG1 VAL 4729 HB -0.06 0.37 0.11 -0.04 2.12 2.49 1a5uG1 VAL 4729 HG13 -0.01 -0.05 -0.25 -0.04 0.97 0.62 1a5uG1 VAL 4729 HG23 -0.60 0.02 -0.27 -0.04 0.95 0.06 1a5uG1 PRO 4730 HA -0.01 0.13 0.35 -0.51 4.44 4.40 1a5uG1 PRO 4730 HB2 -0.01 -0.00 0.06 -0.04 2.28 2.29 1a5uG1 PRO 4730 HB3 -0.02 0.04 0.05 -0.04 2.02 2.05 1a5uG1 PRO 4730 HG2 -0.01 0.01 0.03 -0.04 2.03 2.02 1a5uG1 PRO 4730 HG3 -0.03 0.05 0.04 -0.04 2.03 2.05 1a5uG1 PRO 4730 HD2 -0.02 0.09 0.03 -0.04 3.68 3.74 1a5uG1 PRO 4730 HD3 -0.07 0.24 0.19 -0.04 3.65 3.97