============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 71 rings ring int. center anis. iso. TRP 2 1.040 20.314 12.474 21.127 -99.200 -91.000 TRP6 2 1.020 19.119 13.766 19.543 -99.200 -91.000 TRP 4 1.040 16.997 17.440 16.778 -99.200 -91.000 TRP6 4 1.020 17.091 15.850 15.033 -99.200 -91.000 TYR 7 0.840 21.436 11.688 15.335 -99.200 -91.000 PHE 21 1.000 8.986 20.254 8.879 -99.200 -91.000 HIS 29 0.900 5.308 31.880 18.287 -99.200 -91.000 PHE 34 1.000 -6.899 22.741 24.744 -99.200 -91.000 HIS 47 0.900 -18.579 7.028 12.303 -99.200 -91.000 TYR 51 0.840 -18.676 17.303 14.600 -99.200 -91.000 PHE 52 1.000 -18.361 9.851 19.733 -99.200 -91.000 TYR 62 0.840 0.991 23.986 20.542 -99.200 -91.000 HIS 67 0.900 -11.697 8.528 28.650 -99.200 -91.000 PHE 68 1.000 -13.522 9.310 21.316 -99.200 -91.000 TYR 71 0.840 -18.777 5.713 24.579 -99.200 -91.000 HIS 75 0.900 -12.995 3.222 21.865 -99.200 -91.000 PHE 77 1.000 -8.858 11.798 19.764 -99.200 -91.000 TRP 78 1.040 -1.224 10.823 22.947 -99.200 -91.000 TRP6 78 1.020 -0.264 12.222 24.591 -99.200 -91.000 HIS 87 0.900 -14.683 22.259 16.250 -99.200 -91.000 TRP 91 1.040 -17.969 24.190 16.664 -99.200 -91.000 TRP6 91 1.020 -18.437 22.151 15.563 -99.200 -91.000 PHE 92 1.000 -23.496 19.672 20.866 -99.200 -91.000 HIS 97 0.900 -21.495 20.902 12.580 -99.200 -91.000 TYR 105 0.840 -24.973 11.579 30.516 -99.200 -91.000 PHE 110 1.000 -23.760 16.781 26.908 -99.200 -91.000 TRP 112 1.040 -21.379 21.179 26.320 -99.200 -91.000 TRP6 112 1.020 -19.478 20.050 27.159 -99.200 -91.000 TYR 115 0.840 -20.795 15.236 30.817 -99.200 -91.000 HIS 127 0.900 -8.348 31.670 26.429 -99.200 -91.000 PHE 129 1.000 -11.321 24.404 22.187 -99.200 -91.000 HIS 134 0.900 -16.237 32.244 16.551 -99.200 -91.000 PHE 141 1.000 -13.957 22.367 -2.424 -99.200 -91.000 PHE 171 1.000 -13.353 20.392 1.002 -99.200 -91.000 HIS 174 0.900 -20.579 9.726 2.775 -99.200 -91.000 PHE 175 1.000 -14.219 8.496 -0.516 -99.200 -91.000 TRP 178 1.040 -18.445 3.491 -1.584 -99.200 -91.000 TRP6 178 1.020 -17.799 1.220 -1.754 -99.200 -91.000 TYR 182 0.840 -14.496 2.635 3.603 -99.200 -91.000 TYR 184 0.840 -10.431 12.112 2.224 -99.200 -91.000 TRP 185 1.040 -13.451 16.459 9.137 -99.200 -91.000 TRP6 185 1.020 -15.090 18.153 8.925 -99.200 -91.000 TYR 192 0.840 -4.210 12.264 -0.837 -99.200 -91.000 HIS 194 0.900 -7.862 14.672 -8.667 -99.200 -91.000 TRP 198 1.040 -8.342 14.604 -12.356 -99.200 -91.000 TRP6 198 1.020 -7.453 12.553 -11.583 -99.200 -91.000 TYR 212 0.840 -25.484 4.642 -10.210 -99.200 -91.000 PHE 218 1.000 -21.688 7.564 -11.596 -99.200 -91.000 TRP 220 1.040 -19.053 12.224 -12.222 -99.200 -91.000 TRP6 220 1.020 -19.819 12.653 -10.023 -99.200 -91.000 TYR 223 0.840 -24.798 9.946 -8.032 -99.200 -91.000 TRP 235 1.040 -15.121 28.757 -9.093 -99.200 -91.000 TRP6 235 1.020 -14.853 29.382 -6.826 -99.200 -91.000 PHE 237 1.000 -12.227 20.459 -7.097 -99.200 -91.000 HIS 243 0.900 7.462 16.222 -0.123 -99.200 -91.000 PHE 245 1.000 9.413 17.809 4.597 -99.200 -91.000 HIS 273 0.900 1.013 16.590 -3.654 -99.200 -91.000 HIS 278 0.900 15.045 4.193 9.440 -99.200 -91.000 PHE 279 1.000 9.459 6.818 14.091 -99.200 -91.000 TRP 282 1.040 13.464 2.798 16.922 -99.200 -91.000 TRP6 282 1.020 12.544 1.259 18.465 -99.200 -91.000 HIS 284 0.900 15.579 0.940 6.889 -99.200 -91.000 TYR 286 0.840 9.361 -1.418 14.309 -99.200 -91.000 PHE 288 1.000 5.429 6.650 10.035 -99.200 -91.000 TRP 289 1.040 5.205 5.242 1.501 -99.200 -91.000 TRP6 289 1.020 6.473 6.885 0.369 -99.200 -91.000 HIS 294 0.900 -0.388 12.970 10.363 -99.200 -91.000 HIS 298 0.900 5.158 18.422 15.031 -99.200 -91.000 TRP 302 1.040 6.690 21.016 17.173 -99.200 -91.000 TRP6 302 1.020 5.464 19.411 18.402 -99.200 -91.000 HIS 308 0.900 5.988 14.969 23.283 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2rhiA1 CYS 205 HA 0.02 -0.05 0.18 -0.75 4.58 3.98 2rhiA1 CYS 205 HB2 0.04 0.01 0.06 -0.04 2.97 3.03 2rhiA1 CYS 205 HB3 0.08 -0.10 0.12 -0.04 2.97 3.03 2rhiA1 TRP 206 H 0.21 0.11 0.10 -0.55 7.97 7.84 2rhiA1 TRP 206 HA -0.06 -0.00 0.45 -0.75 4.62 4.26 2rhiA1 TRP 206 HB2 -0.10 0.02 0.14 -0.04 3.23 3.25 2rhiA1 TRP 206 HB3 -0.12 0.02 0.07 -0.04 3.23 3.16 2rhiA1 TRP 206 HD1 -0.13 0.02 0.03 -0.04 7.22 7.10 2rhiA1 TRP 206 HE1 -0.37 0.03 0.02 -0.04 10.20 9.85 2rhiA1 TRP 206 HE3 -0.27 0.01 -0.48 -0.04 7.59 6.82 2rhiA1 TRP 206 HZ2 -1.71 0.03 -0.01 -0.04 7.44 5.71 2rhiA1 TRP 206 HZ3 -1.28 -0.11 -0.18 -0.04 7.13 5.51 2rhiA1 TRP 206 HH2 -2.24 -0.02 -0.07 -0.04 7.19 4.83 2rhiA1 SER 207 H -0.91 0.20 0.25 -0.55 8.46 7.46 2rhiA1 SER 207 HA -0.02 0.20 0.75 -0.75 4.49 4.66 2rhiA1 SER 207 HB2 -0.02 -0.08 0.11 -0.04 3.95 3.92 2rhiA1 SER 207 HB3 -0.06 0.28 -0.20 -0.04 3.93 3.91 2rhiA1 TRP 208 H 0.18 0.22 0.14 -0.55 7.97 7.96 2rhiA1 TRP 208 HA -0.23 0.13 0.47 -0.75 4.62 4.24 2rhiA1 TRP 208 HB2 0.07 0.00 0.14 -0.04 3.23 3.40 2rhiA1 TRP 208 HB3 0.08 0.07 -0.05 -0.04 3.23 3.29 2rhiA1 TRP 208 HD1 0.24 0.02 0.03 -0.04 7.22 7.47 2rhiA1 TRP 208 HE1 0.23 -0.04 0.00 -0.04 10.20 10.35 2rhiA1 TRP 208 HE3 0.29 -0.05 0.00 -0.04 7.59 7.79 2rhiA1 TRP 208 HZ2 0.17 0.10 -0.10 -0.04 7.44 7.57 2rhiA1 TRP 208 HZ3 0.42 0.06 -0.04 -0.04 7.13 7.53 2rhiA1 TRP 208 HH2 0.25 0.14 0.12 -0.04 7.19 7.65 2rhiA1 GLU 209 H 0.11 0.12 -0.05 -0.55 8.60 8.24 2rhiA1 GLU 209 HA 0.08 0.10 0.35 -0.75 4.29 4.07 2rhiA1 GLU 209 HB2 0.05 0.03 0.10 -0.04 2.09 2.23 2rhiA1 GLU 209 HB3 0.00 -0.03 0.07 -0.04 1.99 2.00 2rhiA1 GLU 209 HG2 0.01 0.03 -0.03 -0.04 2.34 2.31 2rhiA1 GLU 209 HG3 -0.01 0.03 -0.26 -0.04 2.34 2.06 2rhiA1 SER 210 H -0.14 0.08 -0.29 -0.55 8.46 7.57 2rhiA1 SER 210 HA -0.07 0.10 0.48 -0.75 4.49 4.24 2rhiA1 SER 210 HB2 -0.13 0.03 0.05 -0.04 3.95 3.86 2rhiA1 SER 210 HB3 -0.12 0.01 0.08 -0.04 3.93 3.86 2rhiA1 TYR 211 H -0.29 0.36 -0.14 -0.55 8.29 7.68 2rhiA1 TYR 211 HA -0.19 0.05 0.46 -0.75 4.56 4.12 2rhiA1 TYR 211 HB2 -1.03 0.04 0.15 -0.04 3.06 2.17 2rhiA1 TYR 211 HB3 -0.28 0.04 0.19 -0.04 2.98 2.88 2rhiA1 TYR 211 HD2 0.12 -0.01 -0.01 -0.04 7.15 7.20 2rhiA1 TYR 211 HE2 0.21 0.02 -0.04 -0.04 6.85 7.00 2rhiA1 LEU 212 H 0.12 0.65 -0.04 -0.55 8.37 8.55 2rhiA1 LEU 212 HA -0.02 0.00 0.38 -0.75 4.35 3.96 2rhiA1 LEU 212 HB2 0.09 0.06 0.08 -0.04 1.64 1.83 2rhiA1 LEU 212 HB3 0.08 0.17 0.03 -0.04 1.64 1.88 2rhiA1 LEU 212 HG 0.48 0.04 0.05 -0.04 1.64 2.16 2rhiA1 LEU 212 HD13 0.21 -0.04 -0.16 -0.04 0.93 0.89 2rhiA1 LEU 212 HD23 0.27 -0.01 -0.26 -0.04 0.89 0.85 2rhiA1 GLU 213 H -0.02 0.30 -0.33 -0.55 8.60 8.01 2rhiA1 GLU 213 HA -0.02 0.05 0.49 -0.75 4.29 4.06 2rhiA1 GLU 213 HB2 -0.03 0.11 0.19 -0.04 2.09 2.31 2rhiA1 GLU 213 HB3 -0.02 -0.03 0.03 -0.04 1.99 1.93 2rhiA1 GLU 213 HG2 -0.00 0.20 0.13 -0.04 2.34 2.62 2rhiA1 GLU 213 HG3 -0.01 -0.07 0.03 -0.04 2.34 2.25 2rhiA1 GLU 214 H -0.07 0.44 -0.08 -0.55 8.60 8.33 2rhiA1 GLU 214 HA -0.04 0.02 0.45 -0.75 4.29 3.97 2rhiA1 GLU 214 HB2 -0.03 -0.03 0.14 -0.04 2.09 2.12 2rhiA1 GLU 214 HB3 -0.08 0.09 0.22 -0.04 1.99 2.18 2rhiA1 GLU 214 HG2 -0.04 0.04 -0.29 -0.04 2.34 2.02 2rhiA1 GLU 214 HG3 -0.01 -0.05 0.03 -0.04 2.34 2.28 2rhiA1 GLN 215 H -0.21 0.53 -0.10 -0.55 8.47 8.15 2rhiA1 GLN 215 HA -0.10 0.11 0.60 -0.75 4.36 4.22 2rhiA1 GLN 215 HB2 -0.32 -0.02 0.01 -0.04 2.15 1.78 2rhiA1 GLN 215 HB3 -0.16 -0.01 0.02 -0.04 2.02 1.83 2rhiA1 GLN 215 HG2 -0.72 0.05 0.03 -0.04 2.40 1.72 2rhiA1 GLN 215 HG3 -1.06 -0.07 -0.03 -0.04 2.39 1.18 2rhiA1 GLN 215 HE21 0.04 -0.03 -0.06 -0.04 6.97 6.88 2rhiA1 GLN 215 HE22 -0.03 -0.03 -0.10 -0.04 7.69 7.49 2rhiA1 LYS 216 H -0.06 0.26 -0.39 -0.55 8.42 7.68 2rhiA1 LYS 216 HA -0.02 0.01 0.36 -0.75 4.32 3.91 2rhiA1 LYS 216 HB2 -0.01 0.15 0.21 -0.04 1.87 2.18 2rhiA1 LYS 216 HB3 -0.01 -0.10 0.19 -0.04 1.79 1.83 2rhiA1 LYS 216 HG2 -0.02 0.07 -0.34 -0.04 1.46 1.13 2rhiA1 LYS 216 HG3 -0.01 -0.10 -0.03 -0.04 1.46 1.28 2rhiA1 LYS 216 HD2 -0.01 -0.12 0.05 -0.04 1.69 1.58 2rhiA1 LYS 216 HD3 -0.02 0.19 0.11 -0.04 1.68 1.92 2rhiA1 LYS 216 HE2 -0.02 0.08 0.03 -0.04 2.99 3.03 2rhiA1 LYS 216 HE3 -0.01 -0.12 0.02 -0.04 2.99 2.84 2rhiA1 ALA 217 H -0.02 0.33 0.09 -0.55 8.40 8.26 2rhiA1 ALA 217 HA 0.03 0.23 0.90 -0.75 4.34 4.75 2rhiA1 ALA 217 HB3 0.04 0.01 -0.03 -0.04 1.41 1.39 2rhiA1 ILE 218 H 0.06 0.31 0.22 -0.55 8.25 8.29 2rhiA1 ILE 218 HA 0.04 0.15 0.93 -0.75 4.18 4.56 2rhiA1 ILE 218 HB 0.02 0.01 0.12 -0.04 1.89 2.00 2rhiA1 ILE 218 HG12 0.04 0.02 -0.00 -0.04 1.49 1.51 2rhiA1 ILE 218 HG13 0.04 -0.05 -0.27 -0.04 1.21 0.89 2rhiA1 ILE 218 HG23 0.02 0.01 -0.17 -0.04 0.93 0.75 2rhiA1 ILE 218 HD13 0.02 0.01 -0.05 -0.04 0.88 0.82 2rhiA1 THR 219 H 0.01 0.13 0.17 -0.55 8.28 8.04 2rhiA1 THR 219 HA -0.01 0.08 1.01 -0.75 4.39 4.71 2rhiA1 THR 219 HB -0.19 0.08 0.16 -0.04 4.32 4.32 2rhiA1 THR 219 HG23 -0.24 -0.01 -0.04 -0.04 1.22 0.89 2rhiA1 ALA 220 H 0.07 0.65 0.31 -0.55 8.40 8.87 2rhiA1 ALA 220 HA 0.02 0.09 0.59 -0.75 4.34 4.29 2rhiA1 ALA 220 HB3 0.23 -0.00 0.02 -0.04 1.41 1.62 2rhiA1 PRO 221 HA 0.02 0.04 0.46 -0.51 4.44 4.45 2rhiA1 PRO 221 HB2 -0.04 -0.04 0.04 -0.04 2.28 2.20 2rhiA1 PRO 221 HB3 -0.01 0.00 0.12 -0.04 2.02 2.09 2rhiA1 PRO 221 HG2 -0.04 0.06 0.09 -0.04 2.03 2.10 2rhiA1 PRO 221 HG3 -0.02 0.07 0.09 -0.04 2.03 2.13 2rhiA1 PRO 221 HD2 -0.11 0.08 0.21 -0.04 3.68 3.82 2rhiA1 PRO 221 HD3 -0.02 0.31 0.36 -0.04 3.65 4.25 2rhiA1 VAL 222 H 0.03 0.15 0.19 -0.55 8.24 8.05 2rhiA1 VAL 222 HA 0.12 0.12 0.40 -0.75 4.13 4.02 2rhiA1 VAL 222 HB 0.02 -0.05 0.12 -0.04 2.12 2.16 2rhiA1 VAL 222 HG13 0.01 0.02 -0.10 -0.04 0.97 0.86 2rhiA1 VAL 222 HG23 -0.05 0.01 0.08 -0.04 0.95 0.95 2rhiA1 SER 223 H 0.03 0.01 -0.30 -0.55 8.46 7.66 2rhiA1 SER 223 HA 0.04 0.11 0.31 -0.75 4.49 4.21 2rhiA1 SER 223 HB2 -0.00 0.05 0.06 -0.04 3.95 4.02 2rhiA1 SER 223 HB3 0.01 -0.05 0.06 -0.04 3.93 3.91 2rhiA1 LEU 224 H -0.02 0.43 -0.57 -0.55 8.37 7.66 2rhiA1 LEU 224 HA -0.22 0.08 0.52 -0.75 4.35 3.97 2rhiA1 LEU 224 HB2 -0.90 0.13 -0.08 -0.04 1.64 0.75 2rhiA1 LEU 224 HB3 -1.28 -0.12 -0.00 -0.04 1.64 0.19 2rhiA1 LEU 224 HG -0.25 -0.05 -0.03 -0.04 1.64 1.27 2rhiA1 LEU 224 HD13 -0.58 -0.03 -0.09 -0.04 0.93 0.18 2rhiA1 LEU 224 HD23 -0.22 -0.03 -0.12 -0.04 0.89 0.48 2rhiA1 PHE 225 H 0.27 0.41 -0.27 -0.55 8.34 8.19 2rhiA1 PHE 225 HA 0.11 0.17 0.74 -0.75 4.62 4.89 2rhiA1 PHE 225 HB2 0.03 0.08 0.01 -0.04 3.15 3.24 2rhiA1 PHE 225 HB3 0.05 -0.01 0.02 -0.04 3.06 3.08 2rhiA1 PHE 225 HD2 0.00 0.08 -0.07 -0.04 7.28 7.25 2rhiA1 PHE 225 HE2 0.01 0.05 -0.36 -0.04 7.38 7.04 2rhiA1 PHE 225 HZ 0.17 -0.03 -0.23 -0.04 7.32 7.18 2rhiA1 GLN 226 H 0.21 0.16 0.15 -0.55 8.47 8.44 2rhiA1 GLN 226 HA 0.10 0.15 0.55 -0.75 4.36 4.40 2rhiA1 GLN 226 HB2 0.10 -0.04 0.11 -0.04 2.15 2.28 2rhiA1 GLN 226 HB3 0.08 -0.07 0.12 -0.04 2.02 2.11 2rhiA1 GLN 226 HG2 0.09 0.08 0.09 -0.04 2.40 2.62 2rhiA1 GLN 226 HG3 0.07 0.03 0.07 -0.04 2.39 2.52 2rhiA1 GLN 226 HE21 0.07 0.04 -0.07 -0.04 6.97 6.97 2rhiA1 GLN 226 HE22 0.08 0.05 -0.09 -0.04 7.69 7.69 2rhiA1 ASP 227 H 0.08 0.19 0.17 -0.55 8.40 8.29 2rhiA1 ASP 227 HA 0.07 0.10 0.35 -0.75 4.63 4.39 2rhiA1 ASP 227 HB2 0.07 -0.01 0.13 -0.04 2.71 2.85 2rhiA1 ASP 227 HB3 0.05 0.01 0.04 -0.04 2.70 2.76 2rhiA1 SER 228 H 0.09 0.07 -0.20 -0.55 8.46 7.87 2rhiA1 SER 228 HA 0.12 0.07 0.40 -0.75 4.49 4.33 2rhiA1 SER 228 HB2 0.11 0.08 0.05 -0.04 3.95 4.15 2rhiA1 SER 228 HB3 0.09 -0.01 0.09 -0.04 3.93 4.05 2rhiA1 GLN 229 H 0.12 0.21 -0.36 -0.55 8.47 7.89 2rhiA1 GLN 229 HA 0.11 0.16 0.61 -0.75 4.36 4.49 2rhiA1 GLN 229 HB2 0.20 -0.03 0.08 -0.04 2.15 2.36 2rhiA1 GLN 229 HB3 0.01 0.21 0.14 -0.04 2.02 2.34 2rhiA1 GLN 229 HG2 -0.02 0.12 -0.04 -0.04 2.40 2.42 2rhiA1 GLN 229 HG3 0.08 -0.19 -0.02 -0.04 2.39 2.22 2rhiA1 GLN 229 HE21 0.04 0.32 0.04 -0.04 6.97 7.33 2rhiA1 GLN 229 HE22 0.00 0.54 -0.19 -0.04 7.69 8.01 2rhiA1 ALA 230 H 0.10 0.24 -0.18 -0.55 8.40 8.01 2rhiA1 ALA 230 HA 0.05 0.17 0.85 -0.75 4.34 4.65 2rhiA1 ALA 230 HB3 -0.01 -0.03 0.02 -0.04 1.41 1.35 2rhiA1 VAL 231 H 0.08 0.47 0.03 -0.55 8.24 8.28 2rhiA1 VAL 231 HA -0.17 -0.10 0.40 -0.75 4.13 3.51 2rhiA1 VAL 231 HB -0.03 0.04 0.10 -0.04 2.12 2.18 2rhiA1 VAL 231 HG13 0.05 0.03 0.03 -0.04 0.97 1.05 2rhiA1 VAL 231 HG23 -0.27 -0.05 -0.08 -0.04 0.95 0.51 2rhiA1 THR 232 H -0.30 -0.01 0.24 -0.55 8.28 7.66 2rhiA1 THR 232 HA -0.46 0.29 0.97 -0.75 4.39 4.44 2rhiA1 THR 232 HB -0.30 0.01 -0.01 -0.04 4.32 3.99 2rhiA1 THR 232 HG23 -0.20 0.09 -0.11 -0.04 1.22 0.95 2rhiA1 HIS 233 H -0.42 -0.04 0.09 -0.55 8.41 7.50 2rhiA1 HIS 233 HA -0.12 0.31 0.73 -0.75 4.63 4.79 2rhiA1 HIS 233 HB2 -0.05 0.02 0.15 -0.04 3.26 3.34 2rhiA1 HIS 233 HB3 -0.06 -0.02 0.06 -0.04 3.20 3.14 2rhiA1 HIS 233 HD2 -0.02 0.00 0.01 -0.04 6.97 6.92 2rhiA1 HIS 233 HE1 0.00 0.02 -0.05 -0.04 7.75 7.68 2rhiA1 ASN 234 H -0.16 0.07 -0.38 -0.55 8.53 7.50 2rhiA1 ASN 234 HA 0.08 0.06 0.61 -0.75 4.76 4.75 2rhiA1 ASN 234 HB2 -0.20 0.03 -0.06 -0.04 2.88 2.60 2rhiA1 ASN 234 HB3 0.20 0.10 -0.05 -0.04 2.79 2.99 2rhiA1 ASN 234 HD21 0.12 -0.03 -0.05 -0.04 7.03 7.03 2rhiA1 ASN 234 HD22 0.17 0.06 -0.06 -0.04 7.74 7.87 2rhiA1 LYS 235 H 0.07 0.07 0.13 -0.55 8.42 8.14 2rhiA1 LYS 235 HA 0.06 0.17 0.56 -0.75 4.32 4.35 2rhiA1 LYS 235 HB2 0.04 -0.05 0.07 -0.04 1.87 1.89 2rhiA1 LYS 235 HB3 0.03 0.04 -0.11 -0.04 1.79 1.70 2rhiA1 LYS 235 HG2 0.01 0.04 -0.02 -0.04 1.46 1.44 2rhiA1 LYS 235 HG3 0.01 -0.04 -0.01 -0.04 1.46 1.38 2rhiA1 LYS 235 HD2 0.01 0.01 -0.01 -0.04 1.69 1.66 2rhiA1 LYS 235 HD3 0.01 0.10 -0.05 -0.04 1.68 1.69 2rhiA1 LYS 235 HE2 -0.01 -0.05 -0.02 -0.04 2.99 2.88 2rhiA1 LYS 235 HE3 -0.01 0.01 -0.02 -0.04 2.99 2.94 2rhiA1 ASN 236 H 0.11 0.23 0.10 -0.55 8.53 8.43 2rhiA1 ASN 236 HA 0.11 0.08 0.73 -0.75 4.76 4.92 2rhiA1 ASN 236 HB2 0.20 0.02 0.13 -0.04 2.88 3.20 2rhiA1 ASN 236 HB3 0.09 0.06 0.24 -0.04 2.79 3.14 2rhiA1 ASN 236 HD21 0.02 -0.03 -0.25 -0.04 7.03 6.73 2rhiA1 ASN 236 HD22 0.06 0.46 0.05 -0.04 7.74 8.27 2rhiA1 GLY 237 H -0.08 0.24 0.05 -0.55 8.43 8.10 2rhiA1 GLY 237 HA2 -0.05 0.13 0.47 -0.51 4.01 4.05 2rhiA1 GLY 237 HA3 -0.16 -0.01 0.24 -0.51 4.01 3.57 2rhiA1 PHE 238 H 0.06 0.04 -0.28 -0.55 8.34 7.60 2rhiA1 PHE 238 HA -0.11 0.02 0.46 -0.75 4.62 4.23 2rhiA1 PHE 238 HB2 -0.13 0.03 -0.05 -0.04 3.15 2.96 2rhiA1 PHE 238 HB3 -0.12 0.01 -0.13 -0.04 3.06 2.78 2rhiA1 PHE 238 HD2 -0.18 -0.03 -0.05 -0.04 7.28 6.98 2rhiA1 PHE 238 HE2 -0.34 0.11 -0.06 -0.04 7.38 7.05 2rhiA1 PHE 238 HZ -1.29 0.03 -0.20 -0.04 7.32 5.82 2rhiA1 LYS 239 H 0.07 0.13 0.17 -0.55 8.42 8.23 2rhiA1 LYS 239 HA 0.03 0.21 0.92 -0.75 4.32 4.72 2rhiA1 LYS 239 HB2 0.01 -0.04 0.02 -0.04 1.87 1.82 2rhiA1 LYS 239 HB3 0.01 0.02 0.04 -0.04 1.79 1.81 2rhiA1 LYS 239 HG2 -0.03 0.17 -0.27 -0.04 1.46 1.29 2rhiA1 LYS 239 HG3 -0.01 -0.04 -0.05 -0.04 1.46 1.31 2rhiA1 LYS 239 HD2 0.00 -0.07 -0.01 -0.04 1.69 1.57 2rhiA1 LYS 239 HD3 0.01 0.24 -0.13 -0.04 1.68 1.76 2rhiA1 LYS 239 HE2 -0.01 0.08 -0.15 -0.04 2.99 2.87 2rhiA1 LYS 239 HE3 -0.01 -0.08 -0.05 -0.04 2.99 2.81 2rhiA1 LEU 240 H 0.00 0.14 0.08 -0.55 8.37 8.05 2rhiA1 LEU 240 HA -0.02 0.07 0.27 -0.75 4.35 3.92 2rhiA1 LEU 240 HB2 -0.01 -0.02 0.09 -0.04 1.64 1.66 2rhiA1 LEU 240 HB3 -0.01 -0.02 0.12 -0.04 1.64 1.69 2rhiA1 LEU 240 HG -0.02 0.03 -0.12 -0.04 1.64 1.49 2rhiA1 LEU 240 HD13 -0.05 0.02 -0.13 -0.04 0.93 0.73 2rhiA1 LEU 240 HD23 -0.02 -0.01 0.01 -0.04 0.89 0.83 2rhiA1 GLY 241 H -0.01 0.71 0.34 -0.55 8.43 8.92 2rhiA1 GLY 241 HA2 0.02 -0.02 0.39 -0.51 4.01 3.89 2rhiA1 GLY 241 HA3 0.02 0.12 0.66 -0.51 4.01 4.30 2rhiA1 MET 242 H 0.04 0.52 -0.12 -0.55 8.47 8.37 2rhiA1 MET 242 HA 0.07 0.20 0.54 -0.75 4.52 4.58 2rhiA1 MET 242 HB2 0.12 -0.03 0.15 -0.04 2.15 2.35 2rhiA1 MET 242 HB3 0.11 -0.06 0.02 -0.04 2.03 2.05 2rhiA1 MET 242 HG2 0.03 0.02 -0.08 -0.04 2.63 2.55 2rhiA1 MET 242 HG3 0.03 0.13 0.02 -0.04 2.56 2.70 2rhiA1 MET 242 HE3 -0.06 0.07 0.03 -0.04 2.10 2.10 2rhiA1 LYS 243 H 0.13 0.42 0.51 -0.55 8.42 8.93 2rhiA1 LYS 243 HA 0.21 0.34 1.19 -0.75 4.32 5.31 2rhiA1 LYS 243 HB2 0.40 -0.09 0.06 -0.04 1.87 2.20 2rhiA1 LYS 243 HB3 0.64 -0.02 0.10 -0.04 1.79 2.47 2rhiA1 LYS 243 HG2 0.25 0.03 -0.09 -0.04 1.46 1.60 2rhiA1 LYS 243 HG3 0.21 0.15 -0.05 -0.04 1.46 1.72 2rhiA1 LYS 243 HD2 0.42 -0.07 -0.13 -0.04 1.69 1.87 2rhiA1 LYS 243 HD3 0.59 -0.05 -0.09 -0.04 1.68 2.09 2rhiA1 LYS 243 HE2 0.08 0.08 -0.06 -0.04 2.99 3.05 2rhiA1 LYS 243 HE3 -0.09 -0.03 -0.09 -0.04 2.99 2.75 2rhiA1 LEU 244 H 0.30 0.71 0.43 -0.55 8.37 9.26 2rhiA1 LEU 244 HA 0.04 -0.05 0.62 -0.75 4.35 4.21 2rhiA1 LEU 244 HB2 0.18 0.16 0.21 -0.04 1.64 2.15 2rhiA1 LEU 244 HB3 0.33 0.02 -0.11 -0.04 1.64 1.83 2rhiA1 LEU 244 HG 0.11 -0.04 -0.26 -0.04 1.64 1.40 2rhiA1 LEU 244 HD13 0.11 0.05 -0.15 -0.04 0.93 0.91 2rhiA1 LEU 244 HD23 0.11 -0.03 -0.37 -0.04 0.89 0.57 2rhiA1 GLU 245 H 0.06 0.73 0.32 -0.55 8.60 9.17 2rhiA1 GLU 245 HA 0.29 0.31 1.06 -0.75 4.29 5.19 2rhiA1 GLU 245 HB2 0.20 0.04 -0.08 -0.04 2.09 2.21 2rhiA1 GLU 245 HB3 0.38 0.02 -0.02 -0.04 1.99 2.33 2rhiA1 GLU 245 HG2 0.75 0.07 -0.17 -0.04 2.34 2.94 2rhiA1 GLU 245 HG3 0.43 -0.09 -0.35 -0.04 2.34 2.29 2rhiA1 GLY 246 H 0.24 0.45 0.30 -0.55 8.43 8.88 2rhiA1 GLY 246 HA2 -0.00 0.10 0.58 -0.51 4.01 4.18 2rhiA1 GLY 246 HA3 0.06 0.07 0.36 -0.51 4.01 3.98 2rhiA1 ILE 247 H -0.00 0.47 0.22 -0.55 8.25 8.39 2rhiA1 ILE 247 HA 0.01 0.24 0.69 -0.75 4.18 4.36 2rhiA1 ILE 247 HB 0.04 0.12 -0.00 -0.04 1.89 2.00 2rhiA1 ILE 247 HG12 -0.11 0.04 0.07 -0.04 1.49 1.45 2rhiA1 ILE 247 HG13 -0.04 -0.06 -0.57 -0.04 1.21 0.50 2rhiA1 ILE 247 HG23 -0.14 -0.00 -0.05 -0.04 0.93 0.69 2rhiA1 ILE 247 HD13 -0.03 -0.01 -0.08 -0.04 0.88 0.71 2rhiA1 ASP 248 H 0.12 0.53 0.13 -0.55 8.40 8.63 2rhiA1 ASP 248 HA 0.12 0.13 0.51 -0.75 4.63 4.63 2rhiA1 ASP 248 HB2 0.15 0.01 -0.03 -0.04 2.71 2.80 2rhiA1 ASP 248 HB3 0.13 0.15 0.07 -0.04 2.70 3.01 2rhiA1 PRO 249 HA -0.07 0.06 0.30 -0.51 4.44 4.22 2rhiA1 PRO 249 HB2 -0.24 0.02 -0.00 -0.04 2.28 2.02 2rhiA1 PRO 249 HB3 -0.17 0.03 0.06 -0.04 2.02 1.90 2rhiA1 PRO 249 HG2 -1.50 0.05 0.02 -0.04 2.03 0.55 2rhiA1 PRO 249 HG3 -0.62 0.06 0.01 -0.04 2.03 1.43 2rhiA1 PRO 249 HD2 -0.47 0.06 0.13 -0.04 3.68 3.35 2rhiA1 PRO 249 HD3 -0.66 0.35 0.26 -0.04 3.65 3.57 2rhiA1 GLN 250 H -0.09 0.07 -0.38 -0.55 8.47 7.52 2rhiA1 GLN 250 HA -0.03 0.29 0.88 -0.75 4.36 4.74 2rhiA1 GLN 250 HB2 -0.08 -0.03 0.02 -0.04 2.15 2.02 2rhiA1 GLN 250 HB3 -0.07 -0.02 0.14 -0.04 2.02 2.03 2rhiA1 GLN 250 HG2 -0.05 -0.02 0.01 -0.04 2.40 2.31 2rhiA1 GLN 250 HG3 -0.05 0.06 0.03 -0.04 2.39 2.40 2rhiA1 GLN 250 HE21 -0.08 0.05 -0.06 -0.04 6.97 6.83 2rhiA1 GLN 250 HE22 -0.07 -0.01 -0.04 -0.04 7.69 7.54 2rhiA1 HIS 251 H 0.06 0.52 -0.55 -0.55 8.41 7.91 2rhiA1 HIS 251 HA -0.01 0.08 0.44 -0.75 4.63 4.38 2rhiA1 HIS 251 HB2 -0.06 0.05 -0.25 -0.04 3.26 2.96 2rhiA1 HIS 251 HB3 0.01 -0.04 0.12 -0.04 3.20 3.25 2rhiA1 HIS 251 HD2 -0.04 0.03 -0.02 -0.04 6.97 6.89 2rhiA1 HIS 251 HE1 0.01 -0.02 -0.04 -0.04 7.75 7.65 2rhiA1 PRO 252 HA 0.20 0.12 0.29 -0.51 4.44 4.55 2rhiA1 PRO 252 HB2 0.02 -0.05 -0.23 -0.04 2.28 1.98 2rhiA1 PRO 252 HB3 0.37 -0.05 -0.02 -0.04 2.02 2.27 2rhiA1 PRO 252 HG2 0.10 0.30 -0.09 -0.04 2.03 2.31 2rhiA1 PRO 252 HG3 0.12 0.19 0.01 -0.04 2.03 2.31 2rhiA1 PRO 252 HD2 0.04 0.12 -0.03 -0.04 3.68 3.76 2rhiA1 PRO 252 HD3 0.03 0.12 -0.38 -0.04 3.65 3.38 2rhiA1 SER 253 H 0.15 0.08 -0.48 -0.55 8.46 7.67 2rhiA1 SER 253 HA 0.03 0.12 0.54 -0.75 4.49 4.43 2rhiA1 SER 253 HB2 0.02 0.01 0.04 -0.04 3.95 3.98 2rhiA1 SER 253 HB3 -0.00 -0.02 -0.03 -0.04 3.93 3.84 2rhiA1 MET 254 H 0.03 0.53 -0.01 -0.55 8.47 8.47 2rhiA1 MET 254 HA -0.11 0.15 0.84 -0.75 4.52 4.64 2rhiA1 MET 254 HB2 0.01 0.09 0.11 -0.04 2.15 2.32 2rhiA1 MET 254 HB3 -0.18 0.00 -0.03 -0.04 2.03 1.78 2rhiA1 MET 254 HG2 -0.30 -0.09 -0.09 -0.04 2.63 2.11 2rhiA1 MET 254 HG3 -0.65 -0.02 -0.03 -0.04 2.56 1.82 2rhiA1 MET 254 HE3 -0.03 -0.02 -0.10 -0.04 2.10 1.91 2rhiA1 TYR 255 H -0.02 0.20 0.18 -0.55 8.29 8.10 2rhiA1 TYR 255 HA 0.19 0.31 0.89 -0.75 4.56 5.20 2rhiA1 TYR 255 HB2 0.02 0.16 0.17 -0.04 3.06 3.37 2rhiA1 TYR 255 HB3 0.18 -0.08 -0.07 -0.04 2.98 2.97 2rhiA1 TYR 255 HD2 0.16 0.03 -0.17 -0.04 7.15 7.13 2rhiA1 TYR 255 HE2 0.17 0.00 -0.13 -0.04 6.85 6.85 2rhiA1 PHE 256 H 0.40 0.73 0.31 -0.55 8.34 9.22 2rhiA1 PHE 256 HA -0.01 0.26 1.00 -0.75 4.62 5.12 2rhiA1 PHE 256 HB2 0.25 0.03 -0.11 -0.04 3.15 3.28 2rhiA1 PHE 256 HB3 0.22 0.07 -0.01 -0.04 3.06 3.30 2rhiA1 PHE 256 HD2 0.12 0.04 -0.22 -0.04 7.28 7.18 2rhiA1 PHE 256 HE2 -0.23 -0.01 -0.11 -0.04 7.38 6.99 2rhiA1 PHE 256 HZ -0.32 -0.04 -0.07 -0.04 7.32 6.86 2rhiA1 ILE 257 H 0.08 0.25 0.15 -0.55 8.25 8.17 2rhiA1 ILE 257 HA 0.19 0.18 0.79 -0.75 4.18 4.59 2rhiA1 ILE 257 HB -0.18 -0.02 0.15 -0.04 1.89 1.80 2rhiA1 ILE 257 HG12 -0.59 0.05 -0.02 -0.04 1.49 0.89 2rhiA1 ILE 257 HG13 -1.25 -0.03 -0.02 -0.04 1.21 -0.14 2rhiA1 ILE 257 HG23 0.03 0.00 -0.05 -0.04 0.93 0.87 2rhiA1 ILE 257 HD13 -0.30 -0.01 -0.12 -0.04 0.88 0.42 2rhiA1 LEU 258 H 0.21 0.72 0.34 -0.55 8.37 9.09 2rhiA1 LEU 258 HA -0.02 0.27 1.04 -0.75 4.35 4.89 2rhiA1 LEU 258 HB2 -0.01 -0.05 -0.23 -0.04 1.64 1.31 2rhiA1 LEU 258 HB3 -0.19 -0.03 -0.13 -0.04 1.64 1.25 2rhiA1 LEU 258 HG 0.02 0.04 -0.53 -0.04 1.64 1.13 2rhiA1 LEU 258 HD13 -0.04 0.02 -0.31 -0.04 0.93 0.56 2rhiA1 LEU 258 HD23 -0.62 0.03 -0.36 -0.04 0.89 -0.11 2rhiA1 THR 259 H 0.01 0.48 0.34 -0.55 8.28 8.56 2rhiA1 THR 259 HA 0.10 0.34 1.04 -0.75 4.39 5.12 2rhiA1 THR 259 HB 0.15 -0.08 0.00 -0.04 4.32 4.35 2rhiA1 THR 259 HG23 0.05 0.06 -0.23 -0.04 1.22 1.07 2rhiA1 VAL 260 H 0.02 0.67 0.16 -0.55 8.24 8.54 2rhiA1 VAL 260 HA -0.18 0.15 0.61 -0.75 4.13 3.96 2rhiA1 VAL 260 HB -0.00 -0.04 0.18 -0.04 2.12 2.22 2rhiA1 VAL 260 HG13 -0.09 -0.02 -0.37 -0.04 0.97 0.45 2rhiA1 VAL 260 HG23 -0.01 0.02 -0.09 -0.04 0.95 0.83 2rhiA1 ALA 261 H -0.23 0.76 0.43 -0.55 8.40 8.81 2rhiA1 ALA 261 HA -0.11 0.10 0.73 -0.75 4.34 4.31 2rhiA1 ALA 261 HB3 -0.17 -0.01 -0.06 -0.04 1.41 1.13 2rhiA1 GLU 262 H -0.27 0.32 0.17 -0.55 8.60 8.27 2rhiA1 GLU 262 HA -0.09 0.11 0.52 -0.75 4.29 4.08 2rhiA1 GLU 262 HB2 -0.17 0.09 -0.30 -0.04 2.09 1.67 2rhiA1 GLU 262 HB3 -0.46 -0.09 -0.08 -0.04 1.99 1.32 2rhiA1 GLU 262 HG2 0.08 0.08 -0.13 -0.04 2.34 2.33 2rhiA1 GLU 262 HG3 0.01 0.03 0.09 -0.04 2.34 2.42 2rhiA1 VAL 263 H -0.01 0.27 0.15 -0.55 8.24 8.10 2rhiA1 VAL 263 HA 0.01 0.25 0.98 -0.75 4.13 4.61 2rhiA1 VAL 263 HB 0.01 -0.07 0.11 -0.04 2.12 2.13 2rhiA1 VAL 263 HG13 0.04 0.05 -0.08 -0.04 0.97 0.94 2rhiA1 VAL 263 HG23 -0.00 0.00 -0.29 -0.04 0.95 0.61 2rhiA1 CYS 264 H 0.20 0.70 0.04 -0.55 8.50 8.89 2rhiA1 CYS 264 HA 0.03 0.11 0.74 -0.75 4.58 4.70 2rhiA1 CYS 264 HB2 0.19 -0.02 -0.19 -0.04 2.97 2.91 2rhiA1 CYS 264 HB3 0.22 -0.03 0.01 -0.04 2.97 3.13 2rhiA1 GLY 265 H 0.01 0.17 0.08 -0.55 8.43 8.15 2rhiA1 GLY 265 HA2 0.00 0.29 0.32 -0.51 4.01 4.11 2rhiA1 GLY 265 HA3 0.05 -0.09 0.18 -0.51 4.01 3.64 2rhiA1 TYR 266 H -0.01 0.10 0.16 -0.55 8.29 7.99 2rhiA1 TYR 266 HA -0.01 0.13 0.70 -0.75 4.56 4.63 2rhiA1 TYR 266 HB2 -0.33 0.08 0.13 -0.04 3.06 2.90 2rhiA1 TYR 266 HB3 -0.21 0.00 0.11 -0.04 2.98 2.83 2rhiA1 TYR 266 HD2 0.14 0.05 -0.00 -0.04 7.15 7.30 2rhiA1 TYR 266 HE2 0.10 0.05 -0.21 -0.04 6.85 6.74 2rhiA1 ARG 267 H 0.20 0.54 -0.34 -0.55 8.46 8.30 2rhiA1 ARG 267 HA 0.11 0.15 1.14 -0.75 4.34 4.99 2rhiA1 ARG 267 HB2 0.46 0.08 0.01 -0.04 1.90 2.41 2rhiA1 ARG 267 HB3 0.51 0.02 0.05 -0.04 1.80 2.34 2rhiA1 ARG 267 HG2 0.38 -0.00 -0.17 -0.04 1.67 1.83 2rhiA1 ARG 267 HG3 0.42 -0.14 -0.21 -0.04 1.67 1.69 2rhiA1 ARG 267 HD2 0.15 -0.05 -0.14 -0.04 3.22 3.15 2rhiA1 ARG 267 HD3 0.20 0.04 -0.10 -0.04 3.22 3.32 2rhiA1 LEU 268 H 0.13 0.64 0.32 -0.55 8.37 8.91 2rhiA1 LEU 268 HA -0.09 0.17 0.78 -0.75 4.35 4.45 2rhiA1 LEU 268 HB2 -0.30 0.01 -0.02 -0.04 1.64 1.29 2rhiA1 LEU 268 HB3 -0.18 0.04 -0.12 -0.04 1.64 1.34 2rhiA1 LEU 268 HG -0.36 -0.04 -0.15 -0.04 1.64 1.05 2rhiA1 LEU 268 HD13 -0.79 -0.01 -0.21 -0.04 0.93 -0.12 2rhiA1 LEU 268 HD23 -0.37 -0.00 -0.38 -0.04 0.89 0.10 2rhiA1 ARG 269 H -0.67 0.53 0.26 -0.55 8.46 8.02 2rhiA1 ARG 269 HA -1.16 0.26 0.84 -0.75 4.34 3.53 2rhiA1 ARG 269 HB2 -2.71 0.02 -0.09 -0.04 1.90 -0.92 2rhiA1 ARG 269 HB3 -0.87 -0.11 0.06 -0.04 1.80 0.83 2rhiA1 ARG 269 HG2 -0.47 -0.07 -0.29 -0.04 1.67 0.79 2rhiA1 ARG 269 HG3 -0.80 0.08 -0.16 -0.04 1.67 0.76 2rhiA1 ARG 269 HD2 -0.18 0.02 -0.15 -0.04 3.22 2.87 2rhiA1 ARG 269 HD3 -0.41 0.01 -0.17 -0.04 3.22 2.60 2rhiA1 LEU 270 H -0.79 0.88 0.38 -0.55 8.37 8.29 2rhiA1 LEU 270 HA -0.37 0.24 1.01 -0.75 4.35 4.47 2rhiA1 LEU 270 HB2 -1.46 0.05 0.03 -0.04 1.64 0.22 2rhiA1 LEU 270 HB3 -0.59 -0.04 -0.12 -0.04 1.64 0.86 2rhiA1 LEU 270 HG -0.57 0.00 -0.35 -0.04 1.64 0.69 2rhiA1 LEU 270 HD13 -0.45 0.00 -0.20 -0.04 0.93 0.25 2rhiA1 LEU 270 HD23 -0.32 0.00 -0.31 -0.04 0.89 0.23 2rhiA1 HIS 271 H -0.12 0.53 0.33 -0.55 8.41 8.60 2rhiA1 HIS 271 HA -0.04 0.14 0.84 -0.75 4.63 4.81 2rhiA1 HIS 271 HB2 -0.08 0.01 -0.10 -0.04 3.26 3.06 2rhiA1 HIS 271 HB3 -0.06 0.02 0.05 -0.04 3.20 3.17 2rhiA1 HIS 271 HD2 0.07 -0.09 -0.31 -0.04 6.97 6.59 2rhiA1 HIS 271 HE1 0.11 0.07 -0.19 -0.04 7.75 7.70 2rhiA1 PHE 272 H -0.05 0.19 -0.02 -0.55 8.34 7.91 2rhiA1 PHE 272 HA -0.04 0.20 0.61 -0.75 4.62 4.64 2rhiA1 PHE 272 HB2 -0.16 -0.05 0.09 -0.04 3.15 2.99 2rhiA1 PHE 272 HB3 -0.05 0.05 -0.02 -0.04 3.06 3.00 2rhiA1 PHE 272 HD2 -0.27 -0.01 -0.13 -0.04 7.28 6.83 2rhiA1 PHE 272 HE2 -0.29 0.14 -0.10 -0.04 7.38 7.10 2rhiA1 PHE 272 HZ -0.36 -0.05 -0.03 -0.04 7.32 6.84 2rhiA1 ASP 273 H 0.10 0.42 0.24 -0.55 8.40 8.60 2rhiA1 ASP 273 HA 0.19 -0.02 0.29 -0.75 4.63 4.35 2rhiA1 ASP 273 HB2 0.09 0.03 0.11 -0.04 2.71 2.90 2rhiA1 ASP 273 HB3 0.20 -0.00 -0.04 -0.04 2.70 2.82 2rhiA1 GLY 274 H 0.19 0.15 0.14 -0.55 8.43 8.36 2rhiA1 GLY 274 HA2 0.03 0.03 0.38 -0.51 4.01 3.94 2rhiA1 GLY 274 HA3 -0.14 0.01 0.60 -0.51 4.01 3.97 2rhiA1 TYR 275 H 0.06 0.56 -0.38 -0.55 8.29 7.98 2rhiA1 TYR 275 HA 0.07 0.13 0.82 -0.75 4.56 4.82 2rhiA1 TYR 275 HB2 -0.06 0.13 0.03 -0.04 3.06 3.11 2rhiA1 TYR 275 HB3 -0.02 -0.11 0.13 -0.04 2.98 2.94 2rhiA1 TYR 275 HD2 0.00 0.01 -0.06 -0.04 7.15 7.07 2rhiA1 TYR 275 HE2 0.09 0.07 -0.02 -0.04 6.85 6.94 2rhiA1 SER 276 H 0.35 0.09 0.15 -0.55 8.46 8.50 2rhiA1 SER 276 HA 0.18 0.10 0.45 -0.75 4.49 4.46 2rhiA1 SER 276 HB2 0.12 0.08 0.15 -0.04 3.95 4.26 2rhiA1 SER 276 HB3 0.10 0.02 0.13 -0.04 3.93 4.14 2rhiA1 GLU 277 H 0.15 0.18 0.18 -0.55 8.60 8.56 2rhiA1 GLU 277 HA 0.35 0.13 0.46 -0.75 4.29 4.47 2rhiA1 GLU 277 HB2 0.08 0.04 0.13 -0.04 2.09 2.30 2rhiA1 GLU 277 HB3 0.08 0.05 0.12 -0.04 1.99 2.20 2rhiA1 GLU 277 HG2 0.05 -0.08 0.06 -0.04 2.34 2.34 2rhiA1 GLU 277 HG3 0.04 0.04 -0.21 -0.04 2.34 2.18 2rhiA1 CYS 278 H -0.01 -0.01 -0.44 -0.55 8.50 7.51 2rhiA1 CYS 278 HA -0.01 0.13 0.43 -0.75 4.58 4.37 2rhiA1 CYS 278 HB2 -0.12 0.07 0.10 -0.04 2.97 2.98 2rhiA1 CYS 278 HB3 -0.08 -0.05 0.07 -0.04 2.97 2.87 2rhiA1 HIS 279 H 0.06 0.26 -0.45 -0.55 8.41 7.74 2rhiA1 HIS 279 HA 0.04 0.16 0.61 -0.75 4.63 4.69 2rhiA1 HIS 279 HB2 0.08 0.04 -0.01 -0.04 3.26 3.33 2rhiA1 HIS 279 HB3 -0.19 -0.02 0.07 -0.04 3.20 3.02 2rhiA1 HIS 279 HD2 -0.02 0.06 0.06 -0.04 6.97 7.02 2rhiA1 HIS 279 HE1 -0.16 0.01 -0.03 -0.04 7.75 7.52 2rhiA1 ASP 280 H 0.19 0.29 -0.32 -0.55 8.40 8.01 2rhiA1 ASP 280 HA 0.16 0.14 0.54 -0.75 4.63 4.72 2rhiA1 ASP 280 HB2 0.08 0.09 0.09 -0.04 2.71 2.92 2rhiA1 ASP 280 HB3 -0.08 -0.05 -0.06 -0.04 2.70 2.47 2rhiA1 PHE 281 H -0.29 0.42 0.37 -0.55 8.34 8.29 2rhiA1 PHE 281 HA 0.10 0.13 0.69 -0.75 4.62 4.79 2rhiA1 PHE 281 HB2 0.08 -0.00 0.10 -0.04 3.15 3.28 2rhiA1 PHE 281 HB3 0.09 0.14 -0.15 -0.04 3.06 3.10 2rhiA1 PHE 281 HD2 0.02 0.16 -0.14 -0.04 7.28 7.27 2rhiA1 PHE 281 HE2 -0.53 -0.04 -0.16 -0.04 7.38 6.60 2rhiA1 PHE 281 HZ -0.24 0.03 -0.14 -0.04 7.32 6.93 2rhiA1 TRP 282 H 0.46 0.18 0.15 -0.55 7.97 8.22 2rhiA1 TRP 282 HA -0.13 0.28 1.12 -0.75 4.62 5.14 2rhiA1 TRP 282 HB2 0.05 -0.00 0.04 -0.04 3.23 3.29 2rhiA1 TRP 282 HB3 0.03 0.05 -0.08 -0.04 3.23 3.20 2rhiA1 TRP 282 HD1 0.03 -0.01 -0.19 -0.04 7.22 7.01 2rhiA1 TRP 282 HE1 0.00 -0.04 -0.22 -0.04 10.20 9.90 2rhiA1 TRP 282 HE3 0.03 0.04 -0.27 -0.04 7.59 7.35 2rhiA1 TRP 282 HZ2 -0.02 -0.04 -0.12 -0.04 7.44 7.23 2rhiA1 TRP 282 HZ3 0.02 0.01 -0.36 -0.04 7.13 6.75 2rhiA1 TRP 282 HH2 -0.03 -0.01 -0.21 -0.04 7.19 6.90 2rhiA1 VAL 283 H 0.06 0.60 0.38 -0.55 8.24 8.73 2rhiA1 VAL 283 HA 0.13 0.15 0.76 -0.75 4.13 4.41 2rhiA1 VAL 283 HB -0.02 -0.05 0.13 -0.04 2.12 2.13 2rhiA1 VAL 283 HG13 0.13 -0.00 -0.26 -0.04 0.97 0.80 2rhiA1 VAL 283 HG23 -0.23 0.02 -0.21 -0.04 0.95 0.49 2rhiA1 ASN 284 H 0.04 0.10 0.18 -0.55 8.53 8.30 2rhiA1 ASN 284 HA 0.08 0.25 0.85 -0.75 4.76 5.19 2rhiA1 ASN 284 HB2 0.10 -0.09 0.06 -0.04 2.88 2.90 2rhiA1 ASN 284 HB3 0.22 0.06 0.14 -0.04 2.79 3.17 2rhiA1 ASN 284 HD21 0.15 0.31 -0.02 -0.04 7.03 7.44 2rhiA1 ASN 284 HD22 0.13 -0.10 0.03 -0.04 7.74 7.77 2rhiA1 ALA 285 H -0.60 0.76 0.31 -0.55 8.40 8.33 2rhiA1 ALA 285 HA -0.35 0.03 0.34 -0.75 4.34 3.61 2rhiA1 ALA 285 HB3 -0.65 0.01 0.06 -0.04 1.41 0.79 2rhiA1 ASN 286 H -0.14 0.07 -0.40 -0.55 8.53 7.52 2rhiA1 ASN 286 HA 0.02 0.25 0.85 -0.75 4.76 5.13 2rhiA1 ASN 286 HB2 0.14 -0.04 0.16 -0.04 2.88 3.11 2rhiA1 ASN 286 HB3 0.31 0.01 0.01 -0.04 2.79 3.08 2rhiA1 ASN 286 HD21 0.26 0.40 0.14 -0.04 7.03 7.79 2rhiA1 ASN 286 HD22 0.21 -0.11 0.07 -0.04 7.74 7.88 2rhiA1 SER 287 H -0.10 0.41 -0.36 -0.55 8.46 7.87 2rhiA1 SER 287 HA -0.04 0.09 0.47 -0.75 4.49 4.25 2rhiA1 SER 287 HB2 -0.06 -0.06 0.17 -0.04 3.95 3.96 2rhiA1 SER 287 HB3 -0.13 0.09 0.09 -0.04 3.93 3.94 2rhiA1 PRO 288 HA -0.13 0.11 0.64 -0.51 4.44 4.55 2rhiA1 PRO 288 HB2 -0.13 0.00 0.08 -0.04 2.28 2.19 2rhiA1 PRO 288 HB3 -0.06 0.05 0.07 -0.04 2.02 2.04 2rhiA1 PRO 288 HG2 -0.15 0.03 -0.05 -0.04 2.03 1.81 2rhiA1 PRO 288 HG3 -0.07 0.04 0.05 -0.04 2.03 2.00 2rhiA1 PRO 288 HD2 -0.08 0.05 0.24 -0.04 3.68 3.85 2rhiA1 PRO 288 HD3 -0.04 0.26 0.24 -0.04 3.65 4.07 2rhiA1 ASP 289 H -0.19 0.05 -0.28 -0.55 8.40 7.43 2rhiA1 ASP 289 HA -0.44 0.20 0.68 -0.75 4.63 4.32 2rhiA1 ASP 289 HB2 -0.11 0.02 0.01 -0.04 2.71 2.58 2rhiA1 ASP 289 HB3 -0.18 -0.01 0.13 -0.04 2.70 2.60 2rhiA1 ILE 290 H -0.36 0.25 -0.37 -0.55 8.25 7.21 2rhiA1 ILE 290 HA -0.26 0.19 1.02 -0.75 4.18 4.37 2rhiA1 ILE 290 HB 0.10 0.03 0.01 -0.04 1.89 1.99 2rhiA1 ILE 290 HG12 -0.14 -0.07 -0.08 -0.04 1.49 1.16 2rhiA1 ILE 290 HG13 0.13 0.01 -0.15 -0.04 1.21 1.17 2rhiA1 ILE 290 HG23 -0.11 -0.03 -0.23 -0.04 0.93 0.52 2rhiA1 ILE 290 HD13 -0.33 0.01 -0.12 -0.04 0.88 0.40 2rhiA1 HIS 291 H -0.20 0.76 0.29 -0.55 8.41 8.71 2rhiA1 HIS 291 HA -0.62 0.27 0.80 -0.75 4.63 4.33 2rhiA1 HIS 291 HB2 -0.64 -0.16 -0.13 -0.04 3.26 2.28 2rhiA1 HIS 291 HB3 -0.91 0.03 0.06 -0.04 3.20 2.33 2rhiA1 HIS 291 HD2 -1.05 -0.09 -0.37 -0.04 6.97 5.41 2rhiA1 HIS 291 HE1 -0.54 -0.03 -0.14 -0.04 7.75 6.99 2rhiA1 PRO 292 HA -0.75 0.09 0.58 -0.51 4.44 3.86 2rhiA1 PRO 292 HB2 -0.29 0.06 0.03 -0.04 2.28 2.04 2rhiA1 PRO 292 HB3 -0.57 0.09 0.05 -0.04 2.02 1.55 2rhiA1 PRO 292 HG2 -0.18 -0.02 0.00 -0.04 2.03 1.79 2rhiA1 PRO 292 HG3 -0.20 0.08 0.09 -0.04 2.03 1.95 2rhiA1 PRO 292 HD2 -0.36 0.12 0.25 -0.04 3.68 3.66 2rhiA1 PRO 292 HD3 -0.96 0.19 0.17 -0.04 3.65 3.01 2rhiA1 ALA 293 H -0.43 0.22 0.20 -0.55 8.40 7.84 2rhiA1 ALA 293 HA -0.51 -0.03 0.39 -0.75 4.34 3.44 2rhiA1 ALA 293 HB3 -1.80 0.02 0.07 -0.04 1.41 -0.34 2rhiA1 GLY 294 H -0.04 0.07 0.16 -0.55 8.43 8.08 2rhiA1 GLY 294 HA2 -0.17 -0.06 0.33 -0.51 4.01 3.61 2rhiA1 GLY 294 HA3 -0.19 0.25 0.73 -0.51 4.01 4.29 2rhiA1 TRP 295 H 0.09 0.44 -0.11 -0.55 7.97 7.85 2rhiA1 TRP 295 HA -0.17 0.14 0.35 -0.75 4.62 4.19 2rhiA1 TRP 295 HB2 -0.21 0.13 0.02 -0.04 3.23 3.14 2rhiA1 TRP 295 HB3 -0.11 -0.07 -0.00 -0.04 3.23 3.00 2rhiA1 TRP 295 HD1 -0.25 0.08 -0.09 -0.04 7.22 6.92 2rhiA1 TRP 295 HE1 -0.33 -0.10 -0.34 -0.04 10.20 9.40 2rhiA1 TRP 295 HE3 -0.19 -0.12 -0.26 -0.04 7.59 6.98 2rhiA1 TRP 295 HZ2 -0.44 -0.02 -0.12 -0.04 7.44 6.82 2rhiA1 TRP 295 HZ3 -1.62 0.01 -0.19 -0.04 7.13 5.29 2rhiA1 TRP 295 HH2 -1.20 0.04 -0.15 -0.04 7.19 5.83 2rhiA1 PHE 296 H 0.23 0.06 -0.14 -0.55 8.34 7.93 2rhiA1 PHE 296 HA -0.72 0.10 0.31 -0.75 4.62 3.56 2rhiA1 PHE 296 HB2 -0.03 0.12 -0.34 -0.04 3.15 2.85 2rhiA1 PHE 296 HB3 0.15 0.02 -0.13 -0.04 3.06 3.05 2rhiA1 PHE 296 HD2 0.16 0.14 -0.28 -0.04 7.28 7.25 2rhiA1 PHE 296 HE2 0.18 0.02 -0.09 -0.04 7.38 7.45 2rhiA1 PHE 296 HZ 0.20 0.01 -0.09 -0.04 7.32 7.39 2rhiA1 GLU 297 H -0.77 -0.00 -0.35 -0.55 8.60 6.93 2rhiA1 GLU 297 HA -0.01 0.14 0.41 -0.75 4.29 4.08 2rhiA1 GLU 297 HB2 -0.26 0.08 0.08 -0.04 2.09 1.95 2rhiA1 GLU 297 HB3 -0.10 0.04 -0.00 -0.04 1.99 1.88 2rhiA1 GLU 297 HG2 0.02 0.08 0.02 -0.04 2.34 2.41 2rhiA1 GLU 297 HG3 -1.04 -0.11 -0.01 -0.04 2.34 1.14 2rhiA1 LYS 298 H -0.26 0.34 -0.16 -0.55 8.42 7.79 2rhiA1 LYS 298 HA -0.13 0.03 0.45 -0.75 4.32 3.91 2rhiA1 LYS 298 HB2 -0.12 -0.04 0.12 -0.04 1.87 1.78 2rhiA1 LYS 298 HB3 -0.24 0.09 0.14 -0.04 1.79 1.74 2rhiA1 LYS 298 HG2 -0.11 0.06 -0.13 -0.04 1.46 1.24 2rhiA1 LYS 298 HG3 -0.06 -0.06 0.09 -0.04 1.46 1.39 2rhiA1 LYS 298 HD2 0.06 -0.01 0.00 -0.04 1.69 1.69 2rhiA1 LYS 298 HD3 -0.01 -0.07 -0.00 -0.04 1.68 1.56 2rhiA1 LYS 298 HE2 0.09 -0.06 -0.03 -0.04 2.99 2.94 2rhiA1 LYS 298 HE3 -0.06 -0.03 -0.03 -0.04 2.99 2.83 2rhiA1 THR 299 H -0.47 0.27 -0.31 -0.55 8.28 7.22 2rhiA1 THR 299 HA -0.24 0.22 0.92 -0.75 4.39 4.53 2rhiA1 THR 299 HB -0.33 -0.02 0.14 -0.04 4.32 4.08 2rhiA1 THR 299 HG23 -0.59 -0.01 -0.07 -0.04 1.22 0.51 2rhiA1 GLY 300 H -0.19 0.28 -0.25 -0.55 8.43 7.73 2rhiA1 GLY 300 HA2 -0.10 -0.00 0.32 -0.51 4.01 3.71 2rhiA1 GLY 300 HA3 -0.19 0.05 0.50 -0.51 4.01 3.87 2rhiA1 HIS 301 H -0.14 0.26 -0.04 -0.55 8.41 7.94 2rhiA1 HIS 301 HA -0.01 0.17 0.75 -0.75 4.63 4.78 2rhiA1 HIS 301 HB2 -0.35 -0.14 -0.00 -0.04 3.26 2.73 2rhiA1 HIS 301 HB3 -0.05 0.04 0.04 -0.04 3.20 3.19 2rhiA1 HIS 301 HD2 0.39 0.01 0.00 -0.04 6.97 7.33 2rhiA1 HIS 301 HE1 -0.06 0.04 -0.00 -0.04 7.75 7.69 2rhiA1 LYS 302 H 0.19 0.16 0.16 -0.55 8.42 8.38 2rhiA1 LYS 302 HA -0.06 0.13 0.73 -0.75 4.32 4.37 2rhiA1 LYS 302 HB2 0.00 0.04 0.03 -0.04 1.87 1.91 2rhiA1 LYS 302 HB3 0.04 0.00 0.08 -0.04 1.79 1.87 2rhiA1 LYS 302 HG2 -0.13 0.06 -0.22 -0.04 1.46 1.13 2rhiA1 LYS 302 HG3 -0.08 -0.03 0.06 -0.04 1.46 1.37 2rhiA1 LYS 302 HD2 -0.03 0.00 -0.01 -0.04 1.69 1.62 2rhiA1 LYS 302 HD3 -0.04 -0.01 -0.04 -0.04 1.68 1.55 2rhiA1 LYS 302 HE2 -0.10 0.03 -0.05 -0.04 2.99 2.82 2rhiA1 LYS 302 HE3 -0.06 -0.02 0.01 -0.04 2.99 2.87 2rhiA1 LEU 303 H -0.38 0.18 0.14 -0.55 8.37 7.77 2rhiA1 LEU 303 HA -0.37 0.26 0.96 -0.75 4.35 4.45 2rhiA1 LEU 303 HB2 -1.97 -0.07 -0.16 -0.04 1.64 -0.59 2rhiA1 LEU 303 HB3 -0.96 -0.01 0.01 -0.04 1.64 0.63 2rhiA1 LEU 303 HG -0.54 0.17 -0.72 -0.04 1.64 0.50 2rhiA1 LEU 303 HD13 -0.29 -0.03 -0.27 -0.04 0.93 0.30 2rhiA1 LEU 303 HD23 -0.86 -0.03 -0.24 -0.04 0.89 -0.27 2rhiA1 GLN 304 H -0.49 0.82 0.30 -0.55 8.47 8.55 2rhiA1 GLN 304 HA -0.36 0.07 0.72 -0.75 4.36 4.04 2rhiA1 GLN 304 HB2 -1.84 0.02 0.18 -0.04 2.15 0.47 2rhiA1 GLN 304 HB3 -0.79 0.01 0.04 -0.04 2.02 1.25 2rhiA1 GLN 304 HG2 -0.59 -0.00 0.03 -0.04 2.40 1.80 2rhiA1 GLN 304 HG3 -0.78 -0.04 -0.03 -0.04 2.39 1.50 2rhiA1 GLN 304 HE21 -0.15 -0.01 -0.13 -0.04 6.97 6.64 2rhiA1 GLN 304 HE22 -0.20 -0.02 -0.21 -0.04 7.69 7.23 2rhiA1 PRO 305 HA -0.57 -0.00 0.28 -0.51 4.44 3.64 2rhiA1 PRO 305 HB2 -0.06 0.09 -0.24 -0.04 2.28 2.03 2rhiA1 PRO 305 HB3 -0.20 -0.04 -0.17 -0.04 2.02 1.57 2rhiA1 PRO 305 HG2 -0.03 0.12 -0.08 -0.04 2.03 1.99 2rhiA1 PRO 305 HG3 -0.04 -0.18 -0.22 -0.04 2.03 1.55 2rhiA1 PRO 305 HD2 -0.18 0.04 0.22 -0.04 3.68 3.72 2rhiA1 PRO 305 HD3 -0.21 0.23 0.19 -0.04 3.65 3.82 2rhiA1 PRO 306 HA 0.01 0.20 0.47 -0.51 4.44 4.61 2rhiA1 PRO 306 HB2 -0.19 0.04 -0.10 -0.04 2.28 1.98 2rhiA1 PRO 306 HB3 -0.06 0.02 -0.07 -0.04 2.02 1.87 2rhiA1 PRO 306 HG2 -1.13 0.00 -0.00 -0.04 2.03 0.86 2rhiA1 PRO 306 HG3 -0.55 0.02 0.05 -0.04 2.03 1.51 2rhiA1 PRO 306 HD2 -0.73 0.07 0.06 -0.04 3.68 3.04 2rhiA1 PRO 306 HD3 -1.03 0.05 0.11 -0.04 3.65 2.74 2rhiA1 LYS 307 H -0.44 0.27 0.19 -0.55 8.42 7.89 2rhiA1 LYS 307 HA -0.15 0.02 0.36 -0.75 4.32 3.80 2rhiA1 LYS 307 HB2 -1.62 -0.00 -0.04 -0.04 1.87 0.17 2rhiA1 LYS 307 HB3 -0.37 0.03 0.08 -0.04 1.79 1.49 2rhiA1 LYS 307 HG2 -0.10 -0.01 -0.12 -0.04 1.46 1.18 2rhiA1 LYS 307 HG3 -0.12 -0.05 0.04 -0.04 1.46 1.29 2rhiA1 LYS 307 HD2 -0.17 -0.07 -0.00 -0.04 1.69 1.42 2rhiA1 LYS 307 HD3 -0.13 0.18 0.04 -0.04 1.68 1.73 2rhiA1 LYS 307 HE2 0.00 -0.02 -0.01 -0.04 2.99 2.92 2rhiA1 LYS 307 HE3 0.06 -0.03 0.00 -0.04 2.99 2.99 2rhiA1 GLY 308 H 0.02 0.12 0.13 -0.55 8.43 8.15 2rhiA1 GLY 308 HA2 -0.01 -0.04 0.32 -0.51 4.01 3.77 2rhiA1 GLY 308 HA3 -0.01 0.14 0.57 -0.51 4.01 4.20 2rhiA1 TYR 309 H 0.21 0.54 -0.34 -0.55 8.29 8.15 2rhiA1 TYR 309 HA 0.02 0.13 0.86 -0.75 4.56 4.81 2rhiA1 TYR 309 HB2 -0.04 0.22 -0.10 -0.04 3.06 3.10 2rhiA1 TYR 309 HB3 0.02 -0.01 -0.20 -0.04 2.98 2.75 2rhiA1 TYR 309 HD2 0.07 0.11 -0.34 -0.04 7.15 6.95 2rhiA1 TYR 309 HE2 0.17 0.02 -0.07 -0.04 6.85 6.92 2rhiA1 LYS 310 H 0.09 0.13 0.16 -0.55 8.42 8.24 2rhiA1 LYS 310 HA 0.03 0.20 0.73 -0.75 4.32 4.53 2rhiA1 LYS 310 HB2 0.04 -0.04 0.14 -0.04 1.87 1.97 2rhiA1 LYS 310 HB3 0.03 -0.05 0.10 -0.04 1.79 1.83 2rhiA1 LYS 310 HG2 0.01 0.06 -0.02 -0.04 1.46 1.48 2rhiA1 LYS 310 HG3 0.01 0.06 -0.05 -0.04 1.46 1.43 2rhiA1 LYS 310 HD2 0.01 -0.02 0.02 -0.04 1.69 1.66 2rhiA1 LYS 310 HD3 0.00 0.04 -0.01 -0.04 1.68 1.67 2rhiA1 LYS 310 HE2 -0.00 0.04 0.01 -0.04 2.99 3.00 2rhiA1 LYS 310 HE3 0.01 -0.06 0.01 -0.04 2.99 2.91 2rhiA1 GLU 311 H 0.00 0.21 0.16 -0.55 8.60 8.42 2rhiA1 GLU 311 HA -0.03 0.11 0.34 -0.75 4.29 3.95 2rhiA1 GLU 311 HB2 -0.05 0.04 0.20 -0.04 2.09 2.24 2rhiA1 GLU 311 HB3 -0.01 -0.03 0.07 -0.04 1.99 1.98 2rhiA1 GLU 311 HG2 -0.03 -0.02 0.07 -0.04 2.34 2.31 2rhiA1 GLU 311 HG3 -0.13 0.20 0.18 -0.04 2.34 2.55 2rhiA1 GLU 312 H 0.04 -0.01 -0.41 -0.55 8.60 7.67 2rhiA1 GLU 312 HA 0.06 0.20 0.65 -0.75 4.29 4.45 2rhiA1 GLU 312 HB2 0.04 0.04 0.06 -0.04 2.09 2.19 2rhiA1 GLU 312 HB3 0.03 0.01 0.04 -0.04 1.99 2.03 2rhiA1 GLU 312 HG2 0.04 -0.01 -0.10 -0.04 2.34 2.23 2rhiA1 GLU 312 HG3 0.02 0.03 -0.06 -0.04 2.34 2.30 2rhiA1 GLU 313 H 0.10 0.36 -0.15 -0.55 8.60 8.37 2rhiA1 GLU 313 HA 0.08 0.12 0.56 -0.75 4.29 4.30 2rhiA1 GLU 313 HB2 0.18 -0.02 0.13 -0.04 2.09 2.34 2rhiA1 GLU 313 HB3 0.08 0.02 0.17 -0.04 1.99 2.23 2rhiA1 GLU 313 HG2 0.03 0.05 -0.01 -0.04 2.34 2.37 2rhiA1 GLU 313 HG3 0.05 -0.12 0.08 -0.04 2.34 2.30 2rhiA1 PHE 314 H 0.19 0.23 -0.58 -0.55 8.34 7.64 2rhiA1 PHE 314 HA 0.01 0.16 0.98 -0.75 4.62 5.02 2rhiA1 PHE 314 HB2 -0.18 0.02 -0.11 -0.04 3.15 2.83 2rhiA1 PHE 314 HB3 -0.12 0.12 0.01 -0.04 3.06 3.03 2rhiA1 PHE 314 HD2 -0.51 0.05 -0.18 -0.04 7.28 6.60 2rhiA1 PHE 314 HE2 -1.49 -0.02 -0.11 -0.04 7.38 5.71 2rhiA1 PHE 314 HZ -2.40 -0.01 -0.11 -0.04 7.32 4.76 2rhiA1 SER 315 H -0.90 0.29 0.12 -0.55 8.46 7.43 2rhiA1 SER 315 HA -0.23 0.14 0.60 -0.75 4.49 4.25 2rhiA1 SER 315 HB2 -0.06 -0.01 0.08 -0.04 3.95 3.92 2rhiA1 SER 315 HB3 -0.07 0.22 -0.19 -0.04 3.93 3.85 2rhiA1 TRP 316 H -0.03 0.23 0.10 -0.55 7.97 7.73 2rhiA1 TRP 316 HA -0.18 0.09 0.39 -0.75 4.62 4.16 2rhiA1 TRP 316 HB2 -0.03 0.01 0.12 -0.04 3.23 3.28 2rhiA1 TRP 316 HB3 0.02 0.08 -0.07 -0.04 3.23 3.22 2rhiA1 TRP 316 HD1 -0.00 0.04 0.02 -0.04 7.22 7.24 2rhiA1 TRP 316 HE1 0.23 -0.07 0.01 -0.04 10.20 10.34 2rhiA1 TRP 316 HE3 0.21 -0.03 0.00 -0.04 7.59 7.73 2rhiA1 TRP 316 HZ2 0.21 0.07 -0.18 -0.04 7.44 7.50 2rhiA1 TRP 316 HZ3 0.31 0.06 -0.09 -0.04 7.13 7.36 2rhiA1 TRP 316 HH2 0.20 0.12 -0.06 -0.04 7.19 7.41 2rhiA1 SER 317 H 0.11 0.10 -0.14 -0.55 8.46 7.97 2rhiA1 SER 317 HA 0.11 0.12 0.39 -0.75 4.49 4.35 2rhiA1 SER 317 HB2 0.04 0.08 0.00 -0.04 3.95 4.03 2rhiA1 SER 317 HB3 0.06 0.03 0.08 -0.04 3.93 4.06 2rhiA1 GLN 318 H -0.02 0.09 -0.18 -0.55 8.47 7.81 2rhiA1 GLN 318 HA 0.03 0.10 0.50 -0.75 4.36 4.24 2rhiA1 GLN 318 HB2 0.01 -0.01 0.07 -0.04 2.15 2.18 2rhiA1 GLN 318 HB3 -0.03 0.05 0.11 -0.04 2.02 2.11 2rhiA1 GLN 318 HG2 0.04 0.05 -0.01 -0.04 2.40 2.44 2rhiA1 GLN 318 HG3 0.08 0.02 -0.20 -0.04 2.39 2.25 2rhiA1 GLN 318 HE21 0.02 0.04 0.02 -0.04 6.97 7.02 2rhiA1 GLN 318 HE22 0.04 -0.07 0.07 -0.04 7.69 7.69 2rhiA1 TYR 319 H -0.04 0.53 -0.04 -0.55 8.29 8.19 2rhiA1 TYR 319 HA -0.02 0.06 0.39 -0.75 4.56 4.23 2rhiA1 TYR 319 HB2 -0.64 -0.01 0.07 -0.04 3.06 2.44 2rhiA1 TYR 319 HB3 -0.21 0.02 0.07 -0.04 2.98 2.83 2rhiA1 TYR 319 HD2 -0.05 0.00 -0.07 -0.04 7.15 6.98 2rhiA1 TYR 319 HE2 -0.05 0.03 -0.08 -0.04 6.85 6.71 2rhiA1 LEU 320 H 0.20 0.58 -0.14 -0.55 8.37 8.46 2rhiA1 LEU 320 HA 0.07 -0.00 0.36 -0.75 4.35 4.03 2rhiA1 LEU 320 HB2 0.14 0.08 0.12 -0.04 1.64 1.94 2rhiA1 LEU 320 HB3 0.11 0.16 0.05 -0.04 1.64 1.91 2rhiA1 LEU 320 HG 0.58 0.06 0.05 -0.04 1.64 2.29 2rhiA1 LEU 320 HD13 0.13 -0.03 -0.04 -0.04 0.93 0.95 2rhiA1 LEU 320 HD23 0.32 -0.00 -0.27 -0.04 0.89 0.90 2rhiA1 ARG 321 H 0.04 0.27 -0.35 -0.55 8.46 7.86 2rhiA1 ARG 321 HA 0.01 0.06 0.52 -0.75 4.34 4.17 2rhiA1 ARG 321 HB2 0.02 0.08 0.27 -0.04 1.90 2.23 2rhiA1 ARG 321 HB3 0.01 -0.02 -0.01 -0.04 1.80 1.75 2rhiA1 ARG 321 HG2 0.02 -0.01 0.06 -0.04 1.67 1.70 2rhiA1 ARG 321 HG3 0.03 0.06 0.07 -0.04 1.67 1.78 2rhiA1 ARG 321 HD2 0.01 -0.00 0.01 -0.04 3.22 3.20 2rhiA1 ARG 321 HD3 0.02 -0.04 0.00 -0.04 3.22 3.16 2rhiA1 SER 322 H -0.01 0.63 0.04 -0.55 8.46 8.57 2rhiA1 SER 322 HA -0.00 0.01 0.41 -0.75 4.49 4.15 2rhiA1 SER 322 HB2 -0.04 0.05 0.14 -0.04 3.95 4.06 2rhiA1 SER 322 HB3 0.03 -0.04 0.03 -0.04 3.93 3.91 2rhiA1 THR 323 H -0.17 0.46 -0.24 -0.55 8.28 7.79 2rhiA1 THR 323 HA -0.08 0.14 0.72 -0.75 4.39 4.41 2rhiA1 THR 323 HB -0.13 -0.03 0.07 -0.04 4.32 4.20 2rhiA1 THR 323 HG23 -0.56 -0.01 -0.05 -0.04 1.22 0.56 2rhiA1 ARG 324 H -0.03 0.26 -0.42 -0.55 8.46 7.72 2rhiA1 ARG 324 HA -0.00 0.03 0.38 -0.75 4.34 4.00 2rhiA1 ARG 324 HB2 -0.01 0.10 -0.12 -0.04 1.90 1.83 2rhiA1 ARG 324 HB3 -0.00 -0.09 0.21 -0.04 1.80 1.88 2rhiA1 ARG 324 HG2 -0.00 -0.01 0.08 -0.04 1.67 1.70 2rhiA1 ARG 324 HG3 -0.01 0.12 -0.16 -0.04 1.67 1.58 2rhiA1 ARG 324 HD2 -0.00 -0.02 -0.04 -0.04 3.22 3.12 2rhiA1 ARG 324 HD3 -0.00 -0.07 0.02 -0.04 3.22 3.13 2rhiA1 ALA 325 H 0.01 0.24 -0.07 -0.55 8.40 8.04 2rhiA1 ALA 325 HA 0.03 0.20 0.89 -0.75 4.34 4.70 2rhiA1 ALA 325 HB3 0.06 0.03 -0.01 -0.04 1.41 1.44 2rhiA1 GLN 326 H 0.05 0.28 0.17 -0.55 8.47 8.43 2rhiA1 GLN 326 HA 0.05 0.14 0.90 -0.75 4.36 4.69 2rhiA1 GLN 326 HB2 0.02 0.00 0.01 -0.04 2.15 2.15 2rhiA1 GLN 326 HB3 0.01 0.04 0.05 -0.04 2.02 2.09 2rhiA1 GLN 326 HG2 0.02 0.04 -0.11 -0.04 2.40 2.30 2rhiA1 GLN 326 HG3 0.02 0.01 -0.24 -0.04 2.39 2.13 2rhiA1 GLN 326 HE21 0.01 -0.02 -0.03 -0.04 6.97 6.89 2rhiA1 GLN 326 HE22 0.01 0.04 -0.05 -0.04 7.69 7.65 2rhiA1 ALA 327 H -0.00 0.13 0.16 -0.55 8.40 8.14 2rhiA1 ALA 327 HA 0.01 0.10 0.86 -0.75 4.34 4.55 2rhiA1 ALA 327 HB3 -0.23 -0.02 0.10 -0.04 1.41 1.22 2rhiA1 ALA 328 H 0.07 0.62 0.32 -0.55 8.40 8.86 2rhiA1 ALA 328 HA -0.02 0.07 0.45 -0.75 4.34 4.09 2rhiA1 ALA 328 HB3 0.20 -0.01 0.02 -0.04 1.41 1.58 2rhiA1 PRO 329 HA -0.03 0.01 0.46 -0.51 4.44 4.37 2rhiA1 PRO 329 HB2 -0.44 -0.01 0.04 -0.04 2.28 1.83 2rhiA1 PRO 329 HB3 0.02 -0.01 0.10 -0.04 2.02 2.08 2rhiA1 PRO 329 HG2 -0.04 0.06 0.08 -0.04 2.03 2.08 2rhiA1 PRO 329 HG3 -0.03 0.07 0.11 -0.04 2.03 2.14 2rhiA1 PRO 329 HD2 -0.22 0.10 0.18 -0.04 3.68 3.69 2rhiA1 PRO 329 HD3 -0.07 0.21 0.27 -0.04 3.65 4.01 2rhiA1 LYS 330 H 0.02 0.13 0.18 -0.55 8.42 8.19 2rhiA1 LYS 330 HA 0.13 0.10 0.40 -0.75 4.32 4.21 2rhiA1 LYS 330 HB2 0.08 -0.04 0.11 -0.04 1.87 1.98 2rhiA1 LYS 330 HB3 0.09 0.07 0.01 -0.04 1.79 1.91 2rhiA1 LYS 330 HG2 -0.05 0.03 0.06 -0.04 1.46 1.46 2rhiA1 LYS 330 HG3 -0.02 -0.03 0.11 -0.04 1.46 1.48 2rhiA1 LYS 330 HD2 0.03 -0.02 0.02 -0.04 1.69 1.68 2rhiA1 LYS 330 HD3 0.07 0.04 -0.00 -0.04 1.68 1.74 2rhiA1 LYS 330 HE2 0.01 0.00 -0.01 -0.04 2.99 2.95 2rhiA1 LYS 330 HE3 -0.04 0.05 -0.02 -0.04 2.99 2.94 2rhiA1 HIS 331 H 0.08 0.04 -0.20 -0.55 8.41 7.79 2rhiA1 HIS 331 HA 0.07 0.13 0.31 -0.75 4.63 4.38 2rhiA1 HIS 331 HB2 0.01 0.04 0.09 -0.04 3.26 3.37 2rhiA1 HIS 331 HB3 0.01 -0.05 0.06 -0.04 3.20 3.19 2rhiA1 HIS 331 HD2 -0.06 0.04 -0.24 -0.04 6.97 6.67 2rhiA1 HIS 331 HE1 -0.06 0.00 -0.02 -0.04 7.75 7.63 2rhiA1 LEU 332 H -0.28 0.28 -0.66 -0.55 8.37 7.16 2rhiA1 LEU 332 HA -0.22 0.12 0.58 -0.75 4.35 4.07 2rhiA1 LEU 332 HB2 -1.02 0.07 -0.08 -0.04 1.64 0.58 2rhiA1 LEU 332 HB3 -0.91 -0.03 0.01 -0.04 1.64 0.67 2rhiA1 LEU 332 HG -0.85 -0.02 -0.12 -0.04 1.64 0.62 2rhiA1 LEU 332 HD13 -1.11 -0.01 -0.18 -0.04 0.93 -0.41 2rhiA1 LEU 332 HD23 -0.39 -0.02 -0.12 -0.04 0.89 0.33 2rhiA1 PHE 333 H 0.22 0.33 -0.10 -0.55 8.34 8.24 2rhiA1 PHE 333 HA 0.02 0.16 0.68 -0.75 4.62 4.73 2rhiA1 PHE 333 HB2 -0.03 0.03 0.05 -0.04 3.15 3.16 2rhiA1 PHE 333 HB3 -0.07 0.09 -0.02 -0.04 3.06 3.02 2rhiA1 PHE 333 HD2 -0.10 0.17 -0.17 -0.04 7.28 7.14 2rhiA1 PHE 333 HE2 -0.05 0.07 -0.30 -0.04 7.38 7.06 2rhiA1 PHE 333 HZ 0.17 -0.05 -0.17 -0.04 7.32 7.23 2rhiA1 VAL 334 H 0.06 0.26 0.15 -0.55 8.24 8.16 2rhiA1 VAL 334 HA 0.08 0.11 0.48 -0.75 4.13 4.05 2rhiA1 VAL 334 HB 0.06 -0.07 0.08 -0.04 2.12 2.15 2rhiA1 VAL 334 HG13 0.06 0.03 0.04 -0.04 0.97 1.06 2rhiA1 VAL 334 HG23 0.01 0.06 -0.20 -0.04 0.95 0.78 2rhiA1 SER 335 H 0.06 0.21 -0.12 -0.55 8.46 8.07 2rhiA1 SER 335 HA 0.05 0.04 0.97 -0.75 4.49 4.80 2rhiA1 SER 335 HB2 -0.03 -0.02 0.03 -0.04 3.95 3.88 2rhiA1 SER 335 HB3 -0.12 0.19 0.18 -0.04 3.93 4.14 2rhiA1 GLN 336 H 0.01 0.01 0.10 -0.55 8.47 8.04 2rhiA1 GLN 336 HA 0.02 0.20 0.76 -0.75 4.36 4.59 2rhiA1 GLN 336 HB2 -0.55 -0.02 -0.08 -0.04 2.15 1.46 2rhiA1 GLN 336 HB3 -0.46 0.00 0.10 -0.04 2.02 1.63 2rhiA1 GLN 336 HG2 -0.07 -0.01 -0.03 -0.04 2.40 2.25 2rhiA1 GLN 336 HG3 0.04 0.03 -0.56 -0.04 2.39 1.85 2rhiA1 GLN 336 HE21 0.15 -0.12 -0.11 -0.04 6.97 6.85 2rhiA1 GLN 336 HE22 0.14 0.46 -0.03 -0.04 7.69 8.22 2rhiA1 SER 337 H 0.13 0.02 0.08 -0.55 8.46 8.15 2rhiA1 SER 337 HA 0.18 -0.04 0.38 -0.75 4.49 4.26 2rhiA1 SER 337 HB2 0.11 0.27 0.01 -0.04 3.95 4.31 2rhiA1 SER 337 HB3 0.10 0.05 0.24 -0.04 3.93 4.28 2rhiA1 HIS 338 H 0.13 -0.12 -0.02 -0.55 8.41 7.85 2rhiA1 HIS 338 HA 0.07 0.25 0.82 -0.75 4.63 5.01 2rhiA1 HIS 338 HB2 0.08 -0.04 -0.07 -0.04 3.26 3.20 2rhiA1 HIS 338 HB3 0.06 0.00 0.05 -0.04 3.20 3.28 2rhiA1 HIS 338 HD2 0.07 0.01 -0.07 -0.04 6.97 6.93 2rhiA1 HIS 338 HE1 0.04 -0.01 -0.05 -0.04 7.75 7.69 2rhiA1 SER 339 H 0.15 -0.16 0.09 -0.55 8.46 7.99 2rhiA1 SER 339 HA 0.11 0.26 0.92 -0.75 4.49 5.03 2rhiA1 SER 339 HB2 0.10 0.11 0.12 -0.04 3.95 4.23 2rhiA1 SER 339 HB3 0.11 -0.01 0.06 -0.04 3.93 4.05 2rhiA1 PRO 340 HA 0.09 0.10 0.43 -0.51 4.44 4.55 2rhiA1 PRO 340 HB2 0.09 0.12 0.01 -0.04 2.28 2.45 2rhiA1 PRO 340 HB3 0.08 -0.02 0.10 -0.04 2.02 2.13 2rhiA1 PRO 340 HG2 0.09 0.03 0.09 -0.04 2.03 2.19 2rhiA1 PRO 340 HG3 0.08 0.01 0.08 -0.04 2.03 2.16 2rhiA1 PRO 340 HD2 0.09 0.03 0.21 -0.04 3.68 3.97 2rhiA1 PRO 340 HD3 0.08 0.14 0.19 -0.04 3.65 4.02 2rhiA1 PRO 341 HA 0.15 0.57 0.47 -0.51 4.44 5.12 2rhiA1 PRO 341 HB2 0.13 0.11 0.01 -0.04 2.28 2.49 2rhiA1 PRO 341 HB3 0.13 -0.03 0.09 -0.04 2.02 2.17 2rhiA1 PRO 341 HG2 0.11 -0.03 -0.07 -0.04 2.03 2.00 2rhiA1 PRO 341 HG3 0.09 -0.00 0.02 -0.04 2.03 2.10 2rhiA1 PRO 341 HD2 0.09 0.00 0.18 -0.04 3.68 3.91 2rhiA1 PRO 341 HD3 0.10 0.17 0.15 -0.04 3.65 4.03 2rhiA1 PRO 342 HA 0.15 0.01 0.50 -0.51 4.44 4.60 2rhiA1 PRO 342 HB2 0.17 -0.02 -0.06 -0.04 2.28 2.33 2rhiA1 PRO 342 HB3 0.22 0.20 -0.02 -0.04 2.02 2.37 2rhiA1 PRO 342 HG2 0.20 0.08 0.08 -0.04 2.03 2.35 2rhiA1 PRO 342 HG3 0.37 -0.01 -0.23 -0.04 2.03 2.11 2rhiA1 PRO 342 HD2 0.19 0.00 0.15 -0.04 3.68 3.98 2rhiA1 PRO 342 HD3 0.21 0.29 0.03 -0.04 3.65 4.13 2rhiA1 LEU 343 H 0.17 0.12 0.20 -0.55 8.37 8.31 2rhiA1 LEU 343 HA 0.21 0.00 0.38 -0.75 4.35 4.18 2rhiA1 LEU 343 HB2 0.27 0.03 0.17 -0.04 1.64 2.07 2rhiA1 LEU 343 HB3 0.47 -0.02 -0.00 -0.04 1.64 2.04 2rhiA1 LEU 343 HG 0.16 0.07 0.11 -0.04 1.64 1.94 2rhiA1 LEU 343 HD13 0.16 -0.01 0.03 -0.04 0.93 1.07 2rhiA1 LEU 343 HD23 0.16 -0.01 0.00 -0.04 0.89 1.00 2rhiA1 GLY 344 H 0.16 0.12 0.14 -0.55 8.43 8.31 2rhiA1 GLY 344 HA2 -0.18 -0.05 0.32 -0.51 4.01 3.60 2rhiA1 GLY 344 HA3 -0.87 0.10 0.50 -0.51 4.01 3.23 2rhiA1 PHE 345 H 0.08 0.50 -0.41 -0.55 8.34 7.95 2rhiA1 PHE 345 HA -0.37 0.11 0.93 -0.75 4.62 4.54 2rhiA1 PHE 345 HB2 -0.33 0.07 -0.06 -0.04 3.15 2.79 2rhiA1 PHE 345 HB3 -0.70 -0.05 -0.16 -0.04 3.06 2.10 2rhiA1 PHE 345 HD2 -0.76 0.06 -0.27 -0.04 7.28 6.28 2rhiA1 PHE 345 HE2 -0.56 0.12 -0.19 -0.04 7.38 6.71 2rhiA1 PHE 345 HZ -1.21 0.01 -0.24 -0.04 7.32 5.83 2rhiA1 GLN 346 H -0.13 0.21 0.09 -0.55 8.47 8.09 2rhiA1 GLN 346 HA 0.04 0.21 0.87 -0.75 4.36 4.72 2rhiA1 GLN 346 HB2 -0.04 -0.02 -0.05 -0.04 2.15 2.00 2rhiA1 GLN 346 HB3 0.00 0.06 0.01 -0.04 2.02 2.05 2rhiA1 GLN 346 HG2 0.03 0.11 -0.18 -0.04 2.40 2.32 2rhiA1 GLN 346 HG3 -0.02 -0.07 -0.38 -0.04 2.39 1.88 2rhiA1 GLN 346 HE21 0.03 -0.02 -0.04 -0.04 6.97 6.90 2rhiA1 GLN 346 HE22 0.05 0.02 -0.08 -0.04 7.69 7.64 2rhiA1 VAL 347 H 0.04 0.14 0.04 -0.55 8.24 7.91 2rhiA1 VAL 347 HA 0.03 0.06 0.20 -0.75 4.13 3.66 2rhiA1 VAL 347 HB 0.02 -0.01 0.07 -0.04 2.12 2.16 2rhiA1 VAL 347 HG13 0.01 0.02 -0.13 -0.04 0.97 0.83 2rhiA1 VAL 347 HG23 0.07 -0.01 -0.22 -0.04 0.95 0.75 2rhiA1 GLY 348 H 0.01 0.71 0.37 -0.55 8.43 8.97 2rhiA1 GLY 348 HA2 0.01 -0.03 0.41 -0.51 4.01 3.89 2rhiA1 GLY 348 HA3 -0.00 0.15 0.79 -0.51 4.01 4.44 2rhiA1 MET 349 H -0.03 0.46 -0.08 -0.55 8.47 8.27 2rhiA1 MET 349 HA -0.04 0.21 0.59 -0.75 4.52 4.52 2rhiA1 MET 349 HB2 -0.13 -0.03 0.11 -0.04 2.15 2.05 2rhiA1 MET 349 HB3 -0.16 -0.04 -0.02 -0.04 2.03 1.76 2rhiA1 MET 349 HG2 -0.11 -0.01 -0.12 -0.04 2.63 2.35 2rhiA1 MET 349 HG3 -0.09 0.08 -0.04 -0.04 2.56 2.47 2rhiA1 MET 349 HE3 -0.13 -0.01 -0.06 -0.04 2.10 1.86 2rhiA1 LYS 350 H -0.05 0.50 0.49 -0.55 8.42 8.81 2rhiA1 LYS 350 HA 0.10 0.25 1.22 -0.75 4.32 5.14 2rhiA1 LYS 350 HB2 0.08 -0.08 0.05 -0.04 1.87 1.88 2rhiA1 LYS 350 HB3 0.44 0.01 0.18 -0.04 1.79 2.38 2rhiA1 LYS 350 HG2 0.19 0.05 -0.09 -0.04 1.46 1.57 2rhiA1 LYS 350 HG3 0.11 0.09 -0.12 -0.04 1.46 1.50 2rhiA1 LYS 350 HD2 0.42 -0.07 -0.09 -0.04 1.69 1.91 2rhiA1 LYS 350 HD3 0.63 -0.03 -0.06 -0.04 1.68 2.19 2rhiA1 LYS 350 HE2 0.01 0.05 -0.05 -0.04 2.99 2.96 2rhiA1 LYS 350 HE3 -0.24 -0.03 -0.07 -0.04 2.99 2.61 2rhiA1 LEU 351 H 0.20 0.71 0.35 -0.55 8.37 9.09 2rhiA1 LEU 351 HA -0.08 -0.05 0.61 -0.75 4.35 4.08 2rhiA1 LEU 351 HB2 0.23 0.21 0.16 -0.04 1.64 2.20 2rhiA1 LEU 351 HB3 0.15 0.02 -0.23 -0.04 1.64 1.54 2rhiA1 LEU 351 HG 0.12 -0.02 -0.50 -0.04 1.64 1.19 2rhiA1 LEU 351 HD13 0.28 0.01 -0.20 -0.04 0.93 0.98 2rhiA1 LEU 351 HD23 0.06 0.01 -0.42 -0.04 0.89 0.50 2rhiA1 GLU 352 H 0.10 0.76 0.24 -0.55 8.60 9.15 2rhiA1 GLU 352 HA 0.32 0.36 0.94 -0.75 4.29 5.16 2rhiA1 GLU 352 HB2 0.21 0.05 -0.06 -0.04 2.09 2.24 2rhiA1 GLU 352 HB3 0.30 0.02 -0.11 -0.04 1.99 2.16 2rhiA1 GLU 352 HG2 0.64 0.10 -0.16 -0.04 2.34 2.88 2rhiA1 GLU 352 HG3 0.32 -0.10 -0.28 -0.04 2.34 2.24 2rhiA1 ALA 353 H 0.22 0.58 0.26 -0.55 8.40 8.92 2rhiA1 ALA 353 HA 0.13 0.26 0.97 -0.75 4.34 4.95 2rhiA1 ALA 353 HB3 0.08 0.01 -0.15 -0.04 1.41 1.30 2rhiA1 VAL 354 H 0.22 0.74 0.29 -0.55 8.24 8.94 2rhiA1 VAL 354 HA 0.13 0.23 0.71 -0.75 4.13 4.45 2rhiA1 VAL 354 HB 0.24 -0.07 0.12 -0.04 2.12 2.37 2rhiA1 VAL 354 HG13 0.05 0.01 -0.27 -0.04 0.97 0.72 2rhiA1 VAL 354 HG23 0.16 0.02 -0.04 -0.04 0.95 1.05 2rhiA1 ASP 355 H -0.10 0.63 0.20 -0.55 8.40 8.58 2rhiA1 ASP 355 HA -0.33 0.12 0.53 -0.75 4.63 4.19 2rhiA1 ASP 355 HB2 -0.77 0.05 0.06 -0.04 2.71 2.01 2rhiA1 ASP 355 HB3 -0.36 0.18 0.17 -0.04 2.70 2.65 2rhiA1 ARG 356 H -0.07 0.32 0.10 -0.55 8.46 8.25 2rhiA1 ARG 356 HA -0.30 0.07 0.27 -0.75 4.34 3.63 2rhiA1 ARG 356 HB2 -0.42 0.06 0.06 -0.04 1.90 1.56 2rhiA1 ARG 356 HB3 -0.43 -0.01 0.08 -0.04 1.80 1.39 2rhiA1 ARG 356 HG2 -1.34 -0.04 -0.02 -0.04 1.67 0.22 2rhiA1 ARG 356 HG3 -0.68 0.16 -0.03 -0.04 1.67 1.08 2rhiA1 ARG 356 HD2 -1.21 -0.03 -0.01 -0.04 3.22 1.93 2rhiA1 ARG 356 HD3 -1.57 0.05 0.00 -0.04 3.22 1.67 2rhiA1 MET 357 H -0.13 0.01 -0.52 -0.55 8.47 7.29 2rhiA1 MET 357 HA -0.07 0.18 0.70 -0.75 4.52 4.57 2rhiA1 MET 357 HB2 0.01 -0.04 -0.02 -0.04 2.15 2.06 2rhiA1 MET 357 HB3 -0.01 -0.00 0.06 -0.04 2.03 2.04 2rhiA1 MET 357 HG2 -0.03 0.04 -0.03 -0.04 2.63 2.57 2rhiA1 MET 357 HG3 -0.00 -0.03 -0.07 -0.04 2.56 2.41 2rhiA1 MET 357 HE3 -0.04 0.04 0.06 -0.04 2.10 2.12 2rhiA1 ASN 358 H -0.17 0.29 -0.38 -0.55 8.53 7.72 2rhiA1 ASN 358 HA -0.10 0.12 0.61 -0.75 4.76 4.63 2rhiA1 ASN 358 HB2 -0.29 -0.03 0.15 -0.04 2.88 2.67 2rhiA1 ASN 358 HB3 -0.17 -0.05 0.15 -0.04 2.79 2.68 2rhiA1 ASN 358 HD21 -0.06 0.03 -0.14 -0.04 7.03 6.82 2rhiA1 ASN 358 HD22 -0.31 -0.05 -0.14 -0.04 7.74 7.20 2rhiA1 PRO 359 HA -0.06 0.12 0.30 -0.51 4.44 4.30 2rhiA1 PRO 359 HB2 -0.03 -0.00 -0.03 -0.04 2.28 2.17 2rhiA1 PRO 359 HB3 -0.07 0.04 0.02 -0.04 2.02 1.96 2rhiA1 PRO 359 HG2 -0.06 -0.02 -0.07 -0.04 2.03 1.83 2rhiA1 PRO 359 HG3 -0.08 0.05 -0.05 -0.04 2.03 1.91 2rhiA1 PRO 359 HD2 -0.08 0.12 -0.13 -0.04 3.68 3.55 2rhiA1 PRO 359 HD3 -0.10 0.23 -0.37 -0.04 3.65 3.37 2rhiA1 SER 360 H -0.06 0.08 -0.50 -0.55 8.46 7.44 2rhiA1 SER 360 HA -0.00 0.13 0.57 -0.75 4.49 4.43 2rhiA1 SER 360 HB2 -0.02 0.00 0.10 -0.04 3.95 3.99 2rhiA1 SER 360 HB3 -0.03 -0.03 0.01 -0.04 3.93 3.83 2rhiA1 LEU 361 H -0.08 0.49 -0.04 -0.55 8.37 8.19 2rhiA1 LEU 361 HA -0.04 0.17 0.89 -0.75 4.35 4.62 2rhiA1 LEU 361 HB2 -0.23 0.03 0.19 -0.04 1.64 1.59 2rhiA1 LEU 361 HB3 -0.19 -0.01 -0.04 -0.04 1.64 1.36 2rhiA1 LEU 361 HG -0.15 -0.05 -0.02 -0.04 1.64 1.39 2rhiA1 LEU 361 HD13 -0.32 -0.01 0.00 -0.04 0.93 0.56 2rhiA1 LEU 361 HD23 -0.09 0.02 -0.11 -0.04 0.89 0.67 2rhiA1 VAL 362 H 0.04 0.32 0.18 -0.55 8.24 8.24 2rhiA1 VAL 362 HA 0.14 0.17 0.62 -0.75 4.13 4.30 2rhiA1 VAL 362 HB 0.21 0.06 0.08 -0.04 2.12 2.43 2rhiA1 VAL 362 HG13 0.32 -0.03 -0.27 -0.04 0.97 0.95 2rhiA1 VAL 362 HG23 0.27 0.02 -0.21 -0.04 0.95 0.99 2rhiA1 CYS 363 H 0.21 0.81 0.25 -0.55 8.50 9.21 2rhiA1 CYS 363 HA 0.04 0.13 1.20 -0.75 4.58 5.19 2rhiA1 CYS 363 HB2 0.35 0.00 -0.14 -0.04 2.97 3.13 2rhiA1 CYS 363 HB3 0.02 0.15 0.07 -0.04 2.97 3.17 2rhiA1 VAL 364 H -0.09 0.64 0.25 -0.55 8.24 8.49 2rhiA1 VAL 364 HA 0.22 0.04 0.59 -0.75 4.13 4.22 2rhiA1 VAL 364 HB -0.38 0.02 0.16 -0.04 2.12 1.88 2rhiA1 VAL 364 HG13 -0.33 -0.02 -0.07 -0.04 0.97 0.50 2rhiA1 VAL 364 HG23 -1.25 0.00 -0.02 -0.04 0.95 -0.35 2rhiA1 ALA 365 H 0.34 0.63 0.50 -0.55 8.40 9.33 2rhiA1 ALA 365 HA -0.02 0.02 1.05 -0.75 4.34 4.64 2rhiA1 ALA 365 HB3 -0.25 -0.01 -0.17 -0.04 1.41 0.95 2rhiA1 SER 366 H -0.06 0.66 0.38 -0.55 8.46 8.90 2rhiA1 SER 366 HA 0.08 0.27 1.03 -0.75 4.49 5.11 2rhiA1 SER 366 HB2 0.15 -0.09 -0.09 -0.04 3.95 3.88 2rhiA1 SER 366 HB3 0.09 0.11 -0.05 -0.04 3.93 4.04 2rhiA1 VAL 367 H 0.02 0.64 0.23 -0.55 8.24 8.58 2rhiA1 VAL 367 HA 0.02 0.27 0.77 -0.75 4.13 4.44 2rhiA1 VAL 367 HB -0.01 0.03 0.14 -0.04 2.12 2.24 2rhiA1 VAL 367 HG13 0.07 -0.04 -0.32 -0.04 0.97 0.64 2rhiA1 VAL 367 HG23 -0.04 0.00 -0.16 -0.04 0.95 0.71 2rhiA1 THR 368 H -0.06 0.54 0.27 -0.55 8.28 8.48 2rhiA1 THR 368 HA -0.01 0.18 1.05 -0.75 4.39 4.86 2rhiA1 THR 368 HB -0.08 0.00 0.07 -0.04 4.32 4.27 2rhiA1 THR 368 HG23 -0.09 0.00 -0.23 -0.04 1.22 0.87 2rhiA1 ASP 369 H -0.03 0.20 0.20 -0.55 8.40 8.22 2rhiA1 ASP 369 HA 0.17 0.17 0.57 -0.75 4.63 4.78 2rhiA1 ASP 369 HB2 0.05 0.06 -0.30 -0.04 2.71 2.48 2rhiA1 ASP 369 HB3 -0.24 -0.08 -0.09 -0.04 2.70 2.25 2rhiA1 VAL 370 H 0.37 0.33 0.13 -0.55 8.24 8.52 2rhiA1 VAL 370 HA 0.45 0.22 0.94 -0.75 4.13 4.98 2rhiA1 VAL 370 HB 0.20 -0.05 0.11 -0.04 2.12 2.34 2rhiA1 VAL 370 HG13 0.23 0.04 -0.09 -0.04 0.97 1.11 2rhiA1 VAL 370 HG23 0.19 -0.02 -0.25 -0.04 0.95 0.83 2rhiA1 VAL 371 H 0.50 0.62 0.10 -0.55 8.24 8.91 2rhiA1 VAL 371 HA 0.34 0.13 0.84 -0.75 4.13 4.68 2rhiA1 VAL 371 HB -0.03 -0.01 0.01 -0.04 2.12 2.05 2rhiA1 VAL 371 HG13 0.16 -0.01 -0.16 -0.04 0.97 0.93 2rhiA1 VAL 371 HG23 0.55 -0.01 -0.27 -0.04 0.95 1.18 2rhiA1 ASP 372 H 0.21 0.16 0.08 -0.55 8.40 8.30 2rhiA1 ASP 372 HA 0.14 0.15 0.24 -0.75 4.63 4.41 2rhiA1 ASP 372 HB2 0.09 0.17 -0.16 -0.04 2.71 2.77 2rhiA1 ASP 372 HB3 0.09 -0.03 0.26 -0.04 2.70 2.98 2rhiA1 SER 373 H 0.09 0.05 0.22 -0.55 8.46 8.27 2rhiA1 SER 373 HA 0.12 0.24 0.56 -0.75 4.49 4.66 2rhiA1 SER 373 HB2 0.06 -0.04 0.11 -0.04 3.95 4.04 2rhiA1 SER 373 HB3 0.07 -0.04 0.19 -0.04 3.93 4.11 2rhiA1 ARG 374 H 0.15 0.45 -0.19 -0.55 8.46 8.31 2rhiA1 ARG 374 HA 0.03 0.24 1.18 -0.75 4.34 5.04 2rhiA1 ARG 374 HB2 0.12 -0.01 0.01 -0.04 1.90 1.98 2rhiA1 ARG 374 HB3 0.11 0.05 0.12 -0.04 1.80 2.04 2rhiA1 ARG 374 HG2 -0.02 0.04 -0.23 -0.04 1.67 1.42 2rhiA1 ARG 374 HG3 0.01 -0.12 -0.21 -0.04 1.67 1.31 2rhiA1 ARG 374 HD2 0.01 -0.01 -0.18 -0.04 3.22 3.00 2rhiA1 ARG 374 HD3 -0.03 -0.03 -0.10 -0.04 3.22 3.02 2rhiA1 PHE 375 H -0.43 0.69 0.42 -0.55 8.34 8.46 2rhiA1 PHE 375 HA 0.27 0.16 0.94 -0.75 4.62 5.24 2rhiA1 PHE 375 HB2 -0.01 -0.01 0.04 -0.04 3.15 3.12 2rhiA1 PHE 375 HB3 0.06 0.07 -0.08 -0.04 3.06 3.06 2rhiA1 PHE 375 HD2 -0.19 0.02 -0.32 -0.04 7.28 6.75 2rhiA1 PHE 375 HE2 -0.59 -0.02 -0.28 -0.04 7.38 6.45 2rhiA1 PHE 375 HZ -0.81 0.06 -0.40 -0.04 7.32 6.13 2rhiA1 LEU 376 H -0.15 0.58 0.28 -0.55 8.37 8.53 2rhiA1 LEU 376 HA -0.77 0.18 0.83 -0.75 4.35 3.84 2rhiA1 LEU 376 HB2 -2.18 0.04 -0.10 -0.04 1.64 -0.64 2rhiA1 LEU 376 HB3 -0.56 -0.18 0.11 -0.04 1.64 0.97 2rhiA1 LEU 376 HG -0.44 0.03 -0.41 -0.04 1.64 0.78 2rhiA1 LEU 376 HD13 -1.11 0.03 -0.37 -0.04 0.93 -0.56 2rhiA1 LEU 376 HD23 -0.33 0.00 -0.21 -0.04 0.89 0.31 2rhiA1 VAL 377 H -0.45 0.74 0.31 -0.55 8.24 8.29 2rhiA1 VAL 377 HA -0.19 0.18 0.75 -0.75 4.13 4.12 2rhiA1 VAL 377 HB -1.11 0.08 0.15 -0.04 2.12 1.21 2rhiA1 VAL 377 HG13 -0.67 -0.02 -0.26 -0.04 0.97 -0.02 2rhiA1 VAL 377 HG23 -0.05 -0.00 -0.16 -0.04 0.95 0.70 2rhiA1 HIS 378 H -0.18 0.69 0.35 -0.55 8.41 8.73 2rhiA1 HIS 378 HA -0.20 0.13 0.82 -0.75 4.63 4.63 2rhiA1 HIS 378 HB2 -0.11 -0.01 -0.14 -0.04 3.26 2.96 2rhiA1 HIS 378 HB3 -0.09 0.04 -0.01 -0.04 3.20 3.10 2rhiA1 HIS 378 HD2 0.05 -0.05 -0.28 -0.04 6.97 6.65 2rhiA1 HIS 378 HE1 0.14 0.11 -0.14 -0.04 7.75 7.82 2rhiA1 PHE 379 H -0.26 0.19 -0.01 -0.55 8.34 7.71 2rhiA1 PHE 379 HA -0.09 0.20 0.81 -0.75 4.62 4.79 2rhiA1 PHE 379 HB2 -0.16 -0.05 0.05 -0.04 3.15 2.95 2rhiA1 PHE 379 HB3 -0.21 0.07 -0.04 -0.04 3.06 2.84 2rhiA1 PHE 379 HD2 -0.12 0.00 -0.23 -0.04 7.28 6.90 2rhiA1 PHE 379 HE2 -0.01 0.22 -0.22 -0.04 7.38 7.33 2rhiA1 PHE 379 HZ 0.19 0.20 -0.34 -0.04 7.32 7.33 2rhiA1 ASP 380 H 0.06 0.36 0.19 -0.55 8.40 8.47 2rhiA1 ASP 380 HA 0.12 -0.05 0.30 -0.75 4.63 4.25 2rhiA1 ASP 380 HB2 0.06 0.05 0.08 -0.04 2.71 2.86 2rhiA1 ASP 380 HB3 0.15 0.01 -0.04 -0.04 2.70 2.78 2rhiA1 ASN 381 H 0.19 0.13 0.16 -0.55 8.53 8.46 2rhiA1 ASN 381 HA 0.06 0.01 0.33 -0.75 4.76 4.41 2rhiA1 ASN 381 HB2 -0.01 -0.06 -0.19 -0.04 2.88 2.57 2rhiA1 ASN 381 HB3 -0.27 0.02 0.16 -0.04 2.79 2.66 2rhiA1 ASN 381 HD21 -0.11 -0.09 -0.01 -0.04 7.03 6.77 2rhiA1 ASN 381 HD22 -0.21 0.64 0.04 -0.04 7.74 8.17 2rhiA1 TRP 382 H 0.19 0.52 -0.28 -0.55 7.97 7.86 2rhiA1 TRP 382 HA 0.03 0.11 0.82 -0.75 4.62 4.83 2rhiA1 TRP 382 HB2 -0.01 0.13 -0.02 -0.04 3.23 3.29 2rhiA1 TRP 382 HB3 -0.03 -0.09 0.08 -0.04 3.23 3.15 2rhiA1 TRP 382 HD1 -0.04 0.01 -0.42 -0.04 7.22 6.72 2rhiA1 TRP 382 HE1 -0.14 0.20 -0.09 -0.04 10.20 10.14 2rhiA1 TRP 382 HE3 -0.13 -0.06 0.06 -0.04 7.59 7.42 2rhiA1 TRP 382 HZ2 -0.14 0.09 -0.08 -0.04 7.44 7.26 2rhiA1 TRP 382 HZ3 -0.11 -0.02 0.01 -0.04 7.13 6.97 2rhiA1 TRP 382 HH2 -0.12 -0.02 -0.01 -0.04 7.19 7.01 2rhiA1 ASP 383 H 0.54 0.10 0.12 -0.55 8.40 8.61 2rhiA1 ASP 383 HA 0.20 0.08 0.40 -0.75 4.63 4.55 2rhiA1 ASP 383 HB2 0.23 0.07 0.14 -0.04 2.71 3.11 2rhiA1 ASP 383 HB3 0.15 -0.00 0.06 -0.04 2.70 2.87 2rhiA1 ASP 384 H 0.11 0.16 0.18 -0.55 8.40 8.30 2rhiA1 ASP 384 HA 0.29 0.13 0.45 -0.75 4.63 4.74 2rhiA1 ASP 384 HB2 0.05 0.01 0.08 -0.04 2.71 2.80 2rhiA1 ASP 384 HB3 0.09 -0.02 0.08 -0.04 2.70 2.81 2rhiA1 THR 385 H -0.19 0.03 -0.33 -0.55 8.28 7.24 2rhiA1 THR 385 HA -0.25 0.14 0.51 -0.75 4.39 4.04 2rhiA1 THR 385 HB -0.27 0.16 0.21 -0.04 4.32 4.38 2rhiA1 THR 385 HG23 -0.49 -0.02 0.10 -0.04 1.22 0.77 2rhiA1 TYR 386 H 0.10 0.26 -0.57 -0.55 8.29 7.53 2rhiA1 TYR 386 HA -0.01 0.15 0.71 -0.75 4.56 4.66 2rhiA1 TYR 386 HB2 0.08 0.09 0.00 -0.04 3.06 3.19 2rhiA1 TYR 386 HB3 -0.19 -0.06 0.07 -0.04 2.98 2.76 2rhiA1 TYR 386 HD2 -0.06 0.09 0.01 -0.04 7.15 7.15 2rhiA1 TYR 386 HE2 -0.01 -0.04 -0.01 -0.04 6.85 6.75 2rhiA1 ASP 387 H 0.13 0.31 -0.20 -0.55 8.40 8.09 2rhiA1 ASP 387 HA 0.04 0.16 0.49 -0.75 4.63 4.56 2rhiA1 ASP 387 HB2 0.01 -0.01 0.02 -0.04 2.71 2.68 2rhiA1 ASP 387 HB3 -0.14 -0.05 -0.06 -0.04 2.70 2.40 2rhiA1 TYR 388 H -0.36 0.42 0.29 -0.55 8.29 8.09 2rhiA1 TYR 388 HA 0.01 0.07 0.50 -0.75 4.56 4.39 2rhiA1 TYR 388 HB2 0.02 0.02 0.11 -0.04 3.06 3.16 2rhiA1 TYR 388 HB3 0.03 0.17 -0.06 -0.04 2.98 3.08 2rhiA1 TYR 388 HD2 0.06 0.18 -0.29 -0.04 7.15 7.06 2rhiA1 TYR 388 HE2 0.19 -0.02 -0.04 -0.04 6.85 6.94 2rhiA1 TRP 389 H 0.38 0.15 0.15 -0.55 7.97 8.10 2rhiA1 TRP 389 HA -0.07 0.17 0.77 -0.75 4.62 4.73 2rhiA1 TRP 389 HB2 -0.01 -0.02 0.08 -0.04 3.23 3.23 2rhiA1 TRP 389 HB3 -0.06 0.03 -0.04 -0.04 3.23 3.12 2rhiA1 TRP 389 HD1 0.01 -0.01 -0.01 -0.04 7.22 7.16 2rhiA1 TRP 389 HE1 -0.03 0.41 0.01 -0.04 10.20 10.55 2rhiA1 TRP 389 HE3 -0.00 0.03 -0.41 -0.04 7.59 7.17 2rhiA1 TRP 389 HZ2 0.13 0.09 -0.11 -0.04 7.44 7.51 2rhiA1 TRP 389 HZ3 0.17 -0.04 -0.37 -0.04 7.13 6.84 2rhiA1 TRP 389 HH2 0.31 -0.03 -0.26 -0.04 7.19 7.17 2rhiA1 CYS 390 H -0.24 0.72 0.46 -0.55 8.50 8.90 2rhiA1 CYS 390 HA -0.10 0.10 0.81 -0.75 4.58 4.63 2rhiA1 CYS 390 HB2 -0.06 0.04 -0.33 -0.04 2.97 2.58 2rhiA1 CYS 390 HB3 -0.92 0.00 -0.09 -0.04 2.97 1.92 2rhiA1 ASP 391 H -0.23 0.15 0.25 -0.55 8.40 8.02 2rhiA1 ASP 391 HA -0.31 0.29 0.90 -0.75 4.63 4.76 2rhiA1 ASP 391 HB2 -0.03 0.17 0.23 -0.04 2.71 3.04 2rhiA1 ASP 391 HB3 -0.08 0.01 -0.01 -0.04 2.70 2.57 2rhiA1 PRO 392 HA -0.14 0.07 0.38 -0.51 4.44 4.25 2rhiA1 PRO 392 HB2 0.08 0.01 0.08 -0.04 2.28 2.40 2rhiA1 PRO 392 HB3 0.14 0.36 0.20 -0.04 2.02 2.68 2rhiA1 PRO 392 HG2 0.11 -0.00 0.13 -0.04 2.03 2.22 2rhiA1 PRO 392 HG3 -0.08 0.05 0.04 -0.04 2.03 2.00 2rhiA1 PRO 392 HD2 0.03 0.10 0.25 -0.04 3.68 4.02 2rhiA1 PRO 392 HD3 0.05 0.24 0.33 -0.04 3.65 4.23 2rhiA1 SER 393 H -0.00 -0.00 -0.46 -0.55 8.46 7.45 2rhiA1 SER 393 HA 0.04 0.29 0.36 -0.75 4.49 4.42 2rhiA1 SER 393 HB2 0.03 -0.02 0.16 -0.04 3.95 4.08 2rhiA1 SER 393 HB3 0.04 0.05 0.03 -0.04 3.93 4.01 2rhiA1 SER 394 H -0.02 0.43 -0.13 -0.55 8.46 8.18 2rhiA1 SER 394 HA -0.09 0.08 0.46 -0.75 4.49 4.19 2rhiA1 SER 394 HB2 -0.01 -0.08 0.20 -0.04 3.95 4.02 2rhiA1 SER 394 HB3 0.02 0.09 0.13 -0.04 3.93 4.12 2rhiA1 PRO 395 HA -0.35 0.20 0.58 -0.51 4.44 4.36 2rhiA1 PRO 395 HB2 -0.75 -0.02 0.11 -0.04 2.28 1.58 2rhiA1 PRO 395 HB3 -1.10 0.12 0.12 -0.04 2.02 1.12 2rhiA1 PRO 395 HG2 -1.24 0.00 -0.01 -0.04 2.03 0.74 2rhiA1 PRO 395 HG3 -0.81 0.02 0.08 -0.04 2.03 1.27 2rhiA1 PRO 395 HD2 -0.24 0.01 0.25 -0.04 3.68 3.67 2rhiA1 PRO 395 HD3 -0.33 0.23 0.25 -0.04 3.65 3.77 2rhiA1 TYR 396 H -0.16 0.00 -0.46 -0.55 8.29 7.12 2rhiA1 TYR 396 HA -0.16 0.23 0.82 -0.75 4.56 4.69 2rhiA1 TYR 396 HB2 -0.04 0.00 0.01 -0.04 3.06 2.98 2rhiA1 TYR 396 HB3 -0.01 0.01 0.15 -0.04 2.98 3.09 2rhiA1 TYR 396 HD2 -0.11 0.01 -0.02 -0.04 7.15 7.00 2rhiA1 TYR 396 HE2 -0.07 -0.01 -0.04 -0.04 6.85 6.69 2rhiA1 ILE 397 H -0.22 0.33 -0.22 -0.55 8.25 7.59 2rhiA1 ILE 397 HA -0.06 0.22 1.11 -0.75 4.18 4.70 2rhiA1 ILE 397 HB 0.35 0.01 -0.05 -0.04 1.89 2.17 2rhiA1 ILE 397 HG12 0.07 -0.07 -0.02 -0.04 1.49 1.44 2rhiA1 ILE 397 HG13 0.27 0.06 -0.13 -0.04 1.21 1.37 2rhiA1 ILE 397 HG23 0.22 -0.04 -0.22 -0.04 0.93 0.85 2rhiA1 ILE 397 HD13 0.24 -0.01 -0.15 -0.04 0.88 0.92 2rhiA1 HIS 398 H -0.06 0.75 0.35 -0.55 8.41 8.90 2rhiA1 HIS 398 HA -0.66 0.20 0.73 -0.75 4.63 4.16 2rhiA1 HIS 398 HB2 -0.39 -0.13 -0.08 -0.04 3.26 2.63 2rhiA1 HIS 398 HB3 -0.76 0.00 0.05 -0.04 3.20 2.45 2rhiA1 HIS 398 HD2 -0.67 -0.07 -0.36 -0.04 6.97 5.82 2rhiA1 HIS 398 HE1 -0.55 0.01 -0.08 -0.04 7.75 7.09 2rhiA1 PRO 399 HA -0.39 0.11 0.59 -0.51 4.44 4.24 2rhiA1 PRO 399 HB2 -0.22 0.07 0.04 -0.04 2.28 2.13 2rhiA1 PRO 399 HB3 -0.56 0.09 0.06 -0.04 2.02 1.56 2rhiA1 PRO 399 HG2 -0.11 -0.03 -0.00 -0.04 2.03 1.85 2rhiA1 PRO 399 HG3 -0.24 0.08 0.07 -0.04 2.03 1.90 2rhiA1 PRO 399 HD2 -0.34 0.09 0.21 -0.04 3.68 3.61 2rhiA1 PRO 399 HD3 -1.25 0.22 0.14 -0.04 3.65 2.71 2rhiA1 VAL 400 H -0.28 0.22 0.20 -0.55 8.24 7.82 2rhiA1 VAL 400 HA -0.49 -0.02 0.37 -0.75 4.13 3.24 2rhiA1 VAL 400 HB -0.48 0.04 0.14 -0.04 2.12 1.77 2rhiA1 VAL 400 HG13 -1.34 -0.01 -0.15 -0.04 0.97 -0.57 2rhiA1 VAL 400 HG23 -1.21 0.04 -0.03 -0.04 0.95 -0.29 2rhiA1 GLY 401 H 0.03 0.09 0.16 -0.55 8.43 8.16 2rhiA1 GLY 401 HA2 0.13 -0.05 0.34 -0.51 4.01 3.92 2rhiA1 GLY 401 HA3 -0.01 0.24 0.68 -0.51 4.01 4.41 2rhiA1 TRP 402 H 0.22 0.49 -0.12 -0.55 7.97 8.01 2rhiA1 TRP 402 HA -0.08 0.10 0.34 -0.75 4.62 4.23 2rhiA1 TRP 402 HB2 -0.10 0.18 0.05 -0.04 3.23 3.31 2rhiA1 TRP 402 HB3 -0.05 -0.09 0.01 -0.04 3.23 3.06 2rhiA1 TRP 402 HD1 -0.12 0.01 -0.00 -0.04 7.22 7.06 2rhiA1 TRP 402 HE1 -0.16 0.03 -0.04 -0.04 10.20 9.98 2rhiA1 TRP 402 HE3 -0.13 -0.10 -0.25 -0.04 7.59 7.07 2rhiA1 TRP 402 HZ2 -0.21 0.02 -0.07 -0.04 7.44 7.14 2rhiA1 TRP 402 HZ3 -0.09 0.02 -0.15 -0.04 7.13 6.86 2rhiA1 TRP 402 HH2 -0.12 0.03 -0.09 -0.04 7.19 6.96 2rhiA1 CYS 403 H 0.34 0.07 -0.14 -0.55 8.50 8.22 2rhiA1 CYS 403 HA -0.22 0.09 0.30 -0.75 4.58 4.00 2rhiA1 CYS 403 HB2 0.21 -0.15 -0.02 -0.04 2.97 2.96 2rhiA1 CYS 403 HB3 0.08 0.39 -0.17 -0.04 2.97 3.22 2rhiA1 GLN 404 H 0.07 0.01 -0.34 -0.55 8.47 7.67 2rhiA1 GLN 404 HA -0.02 0.10 0.41 -0.75 4.36 4.10 2rhiA1 GLN 404 HB2 0.09 -0.08 0.09 -0.04 2.15 2.21 2rhiA1 GLN 404 HB3 0.04 0.12 0.10 -0.04 2.02 2.23 2rhiA1 GLN 404 HG2 0.01 0.02 0.06 -0.04 2.40 2.44 2rhiA1 GLN 404 HG3 0.04 -0.05 0.02 -0.04 2.39 2.36 2rhiA1 GLN 404 HE21 -0.02 0.00 -0.06 -0.04 6.97 6.85 2rhiA1 GLN 404 HE22 -0.01 -0.01 -0.02 -0.04 7.69 7.61 2rhiA1 LYS 405 H -0.12 0.40 -0.17 -0.55 8.42 7.98 2rhiA1 LYS 405 HA -0.11 0.04 0.47 -0.75 4.32 3.97 2rhiA1 LYS 405 HB2 -0.23 0.11 0.13 -0.04 1.87 1.83 2rhiA1 LYS 405 HB3 -0.15 -0.03 0.06 -0.04 1.79 1.62 2rhiA1 LYS 405 HG2 -0.05 -0.05 0.02 -0.04 1.46 1.34 2rhiA1 LYS 405 HG3 -0.05 0.12 0.06 -0.04 1.46 1.55 2rhiA1 LYS 405 HD2 -0.02 0.01 -0.09 -0.04 1.69 1.55 2rhiA1 LYS 405 HD3 -0.04 -0.01 -0.01 -0.04 1.68 1.58 2rhiA1 LYS 405 HE2 -0.00 -0.02 -0.03 -0.04 2.99 2.90 2rhiA1 LYS 405 HE3 -0.02 -0.03 -0.01 -0.04 2.99 2.90 2rhiA1 GLN 406 H -0.44 0.31 -0.29 -0.55 8.47 7.51 2rhiA1 GLN 406 HA -0.36 0.12 0.68 -0.75 4.36 4.05 2rhiA1 GLN 406 HB2 -0.88 -0.04 0.03 -0.04 2.15 1.22 2rhiA1 GLN 406 HB3 -0.66 -0.03 0.05 -0.04 2.02 1.34 2rhiA1 GLN 406 HG2 -1.63 0.23 -0.02 -0.04 2.40 0.94 2rhiA1 GLN 406 HG3 -3.09 -0.06 -0.10 -0.04 2.39 -0.90 2rhiA1 GLN 406 HE21 -0.21 -0.02 -0.08 -0.04 6.97 6.61 2rhiA1 GLN 406 HE22 -0.55 -0.03 -0.14 -0.04 7.69 6.94 2rhiA1 GLY 407 H -0.18 0.28 -0.27 -0.55 8.43 7.70 2rhiA1 GLY 407 HA2 -0.08 -0.01 0.29 -0.51 4.01 3.70 2rhiA1 GLY 407 HA3 -0.10 0.03 0.47 -0.51 4.01 3.90 2rhiA1 LYS 408 H -0.17 0.43 -0.02 -0.55 8.42 8.10 2rhiA1 LYS 408 HA -0.05 0.21 0.83 -0.75 4.32 4.55 2rhiA1 LYS 408 HB2 -0.12 -0.15 -0.01 -0.04 1.87 1.55 2rhiA1 LYS 408 HB3 0.02 0.09 -0.02 -0.04 1.79 1.83 2rhiA1 LYS 408 HG2 -0.08 0.04 -0.11 -0.04 1.46 1.27 2rhiA1 LYS 408 HG3 -0.28 0.04 -0.31 -0.04 1.46 0.87 2rhiA1 LYS 408 HD2 -0.43 -0.08 -0.10 -0.04 1.69 1.04 2rhiA1 LYS 408 HD3 0.14 0.03 -0.07 -0.04 1.68 1.73 2rhiA1 LYS 408 HE2 -0.23 0.02 -0.05 -0.04 2.99 2.69 2rhiA1 LYS 408 HE3 0.23 -0.02 -0.06 -0.04 2.99 3.10 2rhiA1 PRO 409 HA 0.01 0.01 0.48 -0.51 4.44 4.43 2rhiA1 PRO 409 HB2 -0.00 0.03 -0.04 -0.04 2.28 2.24 2rhiA1 PRO 409 HB3 -0.00 0.01 0.08 -0.04 2.02 2.07 2rhiA1 PRO 409 HG2 0.01 0.04 0.15 -0.04 2.03 2.19 2rhiA1 PRO 409 HG3 -0.00 0.02 0.09 -0.04 2.03 2.10 2rhiA1 PRO 409 HD2 0.00 0.10 0.23 -0.04 3.68 3.97 2rhiA1 PRO 409 HD3 -0.01 0.16 0.18 -0.04 3.65 3.94 2rhiA1 LEU 410 H 0.02 0.14 0.17 -0.55 8.37 8.15 2rhiA1 LEU 410 HA 0.06 0.26 0.85 -0.75 4.35 4.77 2rhiA1 LEU 410 HB2 0.12 -0.07 -0.03 -0.04 1.64 1.61 2rhiA1 LEU 410 HB3 0.03 -0.00 0.09 -0.04 1.64 1.72 2rhiA1 LEU 410 HG -0.21 0.06 -0.47 -0.04 1.64 0.97 2rhiA1 LEU 410 HD13 0.17 0.03 -0.20 -0.04 0.93 0.89 2rhiA1 LEU 410 HD23 0.02 -0.04 -0.11 -0.04 0.89 0.73 2rhiA1 THR 411 H -0.02 0.71 0.36 -0.55 8.28 8.78 2rhiA1 THR 411 HA -0.07 0.14 0.69 -0.75 4.39 4.39 2rhiA1 THR 411 HB -0.08 -0.07 0.07 -0.04 4.32 4.21 2rhiA1 THR 411 HG23 0.00 0.03 -0.10 -0.04 1.22 1.11 2rhiA1 PRO 412 HA -0.98 -0.01 0.48 -0.51 4.44 3.43 2rhiA1 PRO 412 HB2 -0.62 0.07 0.10 -0.04 2.28 1.79 2rhiA1 PRO 412 HB3 -0.91 -0.03 0.11 -0.04 2.02 1.16 2rhiA1 PRO 412 HG2 -0.11 0.02 0.01 -0.04 2.03 1.91 2rhiA1 PRO 412 HG3 -0.10 0.06 0.11 -0.04 2.03 2.06 2rhiA1 PRO 412 HD2 -0.07 0.01 0.27 -0.04 3.68 3.84 2rhiA1 PRO 412 HD3 -0.17 0.38 0.29 -0.04 3.65 4.11 2rhiA1 PRO 413 HA -0.05 0.22 0.44 -0.51 4.44 4.54 2rhiA1 PRO 413 HB2 -0.08 0.00 -0.09 -0.04 2.28 2.07 2rhiA1 PRO 413 HB3 -0.08 0.02 -0.11 -0.04 2.02 1.82 2rhiA1 PRO 413 HG2 -0.83 0.02 0.02 -0.04 2.03 1.19 2rhiA1 PRO 413 HG3 -0.44 0.02 0.05 -0.04 2.03 1.62 2rhiA1 PRO 413 HD2 -1.12 0.08 0.15 -0.04 3.68 2.75 2rhiA1 PRO 413 HD3 -1.47 0.04 0.20 -0.04 3.65 2.37 2rhiA1 GLN 414 H -0.86 0.35 0.12 -0.55 8.47 7.54 2rhiA1 GLN 414 HA -0.79 -0.01 0.37 -0.75 4.36 3.18 2rhiA1 GLN 414 HB2 -2.96 -0.02 0.01 -0.04 2.15 -0.86 2rhiA1 GLN 414 HB3 -0.86 0.18 0.05 -0.04 2.02 1.34 2rhiA1 GLN 414 HG2 -0.60 -0.01 -0.11 -0.04 2.40 1.65 2rhiA1 GLN 414 HG3 -1.40 -0.05 0.05 -0.04 2.39 0.96 2rhiA1 GLN 414 HE21 -0.08 -0.04 0.02 -0.04 6.97 6.83 2rhiA1 GLN 414 HE22 -0.24 -0.02 0.01 -0.04 7.69 7.40 2rhiA1 ASP 415 H -0.27 0.09 0.16 -0.55 8.40 7.82 2rhiA1 ASP 415 HA -0.11 -0.02 0.29 -0.75 4.63 4.03 2rhiA1 ASP 415 HB2 -0.16 0.21 -0.07 -0.04 2.71 2.65 2rhiA1 ASP 415 HB3 -0.11 -0.05 0.15 -0.04 2.70 2.66 2rhiA1 TYR 416 H -0.01 0.32 -0.30 -0.55 8.29 7.75 2rhiA1 TYR 416 HA -0.07 0.08 0.33 -0.75 4.56 4.15 2rhiA1 TYR 416 HB2 -0.18 0.15 -0.03 -0.04 3.06 2.96 2rhiA1 TYR 416 HB3 -0.10 -0.11 -0.02 -0.04 2.98 2.71 2rhiA1 TYR 416 HD2 0.01 -0.01 -0.21 -0.04 7.15 6.90 2rhiA1 TYR 416 HE2 0.14 -0.01 -0.06 -0.04 6.85 6.88 2rhiA1 PRO 417 HA -0.12 -0.03 0.40 -0.51 4.44 4.18 2rhiA1 PRO 417 HB2 -0.31 0.00 0.05 -0.04 2.28 1.99 2rhiA1 PRO 417 HB3 -0.15 -0.01 0.06 -0.04 2.02 1.87 2rhiA1 PRO 417 HG2 -0.23 0.01 0.07 -0.04 2.03 1.84 2rhiA1 PRO 417 HG3 -0.17 0.07 0.10 -0.04 2.03 1.99 2rhiA1 PRO 417 HD2 -0.97 0.04 0.15 -0.04 3.68 2.86 2rhiA1 PRO 417 HD3 -0.28 0.24 0.25 -0.04 3.65 3.82 2rhiA1 ASP 418 H -0.04 0.09 0.16 -0.55 8.40 8.06 2rhiA1 ASP 418 HA 0.01 -0.03 0.36 -0.75 4.63 4.22 2rhiA1 ASP 418 HB2 -0.02 -0.02 -0.06 -0.04 2.71 2.57 2rhiA1 ASP 418 HB3 -0.00 0.22 -0.05 -0.04 2.70 2.82 2rhiA1 PRO 419 HA 0.25 0.08 0.26 -0.51 4.44 4.52 2rhiA1 PRO 419 HB2 0.03 0.03 -0.00 -0.04 2.28 2.29 2rhiA1 PRO 419 HB3 0.06 0.12 0.07 -0.04 2.02 2.23 2rhiA1 PRO 419 HG2 0.03 -0.05 0.04 -0.04 2.03 2.00 2rhiA1 PRO 419 HG3 0.01 0.03 0.04 -0.04 2.03 2.08 2rhiA1 PRO 419 HD2 0.01 -0.05 0.20 -0.04 3.68 3.80 2rhiA1 PRO 419 HD3 0.01 0.42 0.14 -0.04 3.65 4.19 2rhiA1 ASP 420 H 0.05 0.05 -0.34 -0.55 8.40 7.62 2rhiA1 ASP 420 HA 0.04 0.12 0.45 -0.75 4.63 4.48 2rhiA1 ASP 420 HB2 0.03 -0.02 -0.00 -0.04 2.71 2.67 2rhiA1 ASP 420 HB3 0.02 0.02 0.06 -0.04 2.70 2.76 2rhiA1 ASN 421 H 0.09 0.46 -0.36 -0.55 8.53 8.18 2rhiA1 ASN 421 HA 0.04 0.19 0.85 -0.75 4.76 5.08 2rhiA1 ASN 421 HB2 0.05 0.10 0.10 -0.04 2.88 3.09 2rhiA1 ASN 421 HB3 0.03 -0.06 0.17 -0.04 2.79 2.90 2rhiA1 ASN 421 HD21 0.01 -0.02 -0.05 -0.04 7.03 6.93 2rhiA1 ASN 421 HD22 0.02 0.00 -0.02 -0.04 7.74 7.70 2rhiA1 PHE 422 H 0.17 0.37 -0.36 -0.55 8.34 7.96 2rhiA1 PHE 422 HA -0.01 0.02 0.38 -0.75 4.62 4.27 2rhiA1 PHE 422 HB2 -0.24 0.09 0.12 -0.04 3.15 3.08 2rhiA1 PHE 422 HB3 -0.21 0.04 0.08 -0.04 3.06 2.93 2rhiA1 PHE 422 HD2 -1.13 0.04 -0.13 -0.04 7.28 6.02 2rhiA1 PHE 422 HE2 -1.77 -0.03 -0.08 -0.04 7.38 5.46 2rhiA1 PHE 422 HZ -1.42 -0.00 -0.07 -0.04 7.32 5.79 2rhiA1 CYS 423 H -0.88 0.20 0.17 -0.55 8.50 7.44 2rhiA1 CYS 423 HA -0.25 0.16 0.87 -0.75 4.58 4.61 2rhiA1 CYS 423 HB2 -0.10 0.23 -0.07 -0.04 2.97 2.98 2rhiA1 CYS 423 HB3 -0.16 -0.00 0.17 -0.04 2.97 2.94 2rhiA1 TRP 424 H 0.02 0.24 0.11 -0.55 7.97 7.79 2rhiA1 TRP 424 HA -0.11 0.11 0.41 -0.75 4.62 4.28 2rhiA1 TRP 424 HB2 0.02 -0.00 0.15 -0.04 3.23 3.35 2rhiA1 TRP 424 HB3 0.05 0.07 -0.07 -0.04 3.23 3.23 2rhiA1 TRP 424 HD1 0.13 0.02 0.02 -0.04 7.22 7.35 2rhiA1 TRP 424 HE1 0.16 -0.03 -0.03 -0.04 10.20 10.26 2rhiA1 TRP 424 HE3 0.26 -0.06 0.02 -0.04 7.59 7.77 2rhiA1 TRP 424 HZ2 0.11 0.10 -0.10 -0.04 7.44 7.51 2rhiA1 TRP 424 HZ3 0.34 0.06 -0.04 -0.04 7.13 7.45 2rhiA1 TRP 424 HH2 0.16 0.14 0.12 -0.04 7.19 7.58 2rhiA1 GLU 425 H 0.14 0.12 -0.07 -0.55 8.60 8.24 2rhiA1 GLU 425 HA 0.11 0.11 0.37 -0.75 4.29 4.12 2rhiA1 GLU 425 HB2 0.06 0.03 0.09 -0.04 2.09 2.23 2rhiA1 GLU 425 HB3 0.04 -0.03 0.06 -0.04 1.99 2.02 2rhiA1 GLU 425 HG2 0.03 0.03 -0.26 -0.04 2.34 2.10 2rhiA1 GLU 425 HG3 0.04 0.02 0.02 -0.04 2.34 2.38 2rhiA1 LYS 426 H -0.01 0.07 -0.31 -0.55 8.42 7.61 2rhiA1 LYS 426 HA 0.03 0.09 0.47 -0.75 4.32 4.16 2rhiA1 LYS 426 HB2 -0.00 -0.02 0.09 -0.04 1.87 1.90 2rhiA1 LYS 426 HB3 -0.05 0.09 0.15 -0.04 1.79 1.93 2rhiA1 LYS 426 HG2 0.04 0.04 0.00 -0.04 1.46 1.50 2rhiA1 LYS 426 HG3 0.09 0.02 -0.19 -0.04 1.46 1.33 2rhiA1 LYS 426 HD2 0.04 -0.04 0.11 -0.04 1.69 1.76 2rhiA1 LYS 426 HD3 0.02 -0.01 0.03 -0.04 1.68 1.68 2rhiA1 LYS 426 HE2 0.03 0.02 -0.01 -0.04 2.99 2.99 2rhiA1 LYS 426 HE3 0.05 0.01 -0.01 -0.04 2.99 3.00 2rhiA1 TYR 427 H 0.01 0.54 -0.01 -0.55 8.29 8.27 2rhiA1 TYR 427 HA 0.06 0.04 0.44 -0.75 4.56 4.35 2rhiA1 TYR 427 HB2 -0.45 0.01 0.11 -0.04 3.06 2.69 2rhiA1 TYR 427 HB3 0.02 0.03 0.15 -0.04 2.98 3.14 2rhiA1 TYR 427 HD2 0.21 -0.01 -0.01 -0.04 7.15 7.29 2rhiA1 TYR 427 HE2 0.16 0.02 -0.05 -0.04 6.85 6.94 2rhiA1 LEU 428 H 0.22 0.67 -0.09 -0.55 8.37 8.62 2rhiA1 LEU 428 HA 0.02 0.01 0.45 -0.75 4.35 4.08 2rhiA1 LEU 428 HB2 0.11 0.04 0.11 -0.04 1.64 1.86 2rhiA1 LEU 428 HB3 0.05 0.16 0.06 -0.04 1.64 1.88 2rhiA1 LEU 428 HG 0.48 0.08 0.02 -0.04 1.64 2.18 2rhiA1 LEU 428 HD13 -0.02 -0.04 -0.07 -0.04 0.93 0.76 2rhiA1 LEU 428 HD23 0.16 0.02 -0.17 -0.04 0.89 0.86 2rhiA1 GLU 429 H 0.05 0.32 -0.32 -0.55 8.60 8.10 2rhiA1 GLU 429 HA 0.01 0.06 0.53 -0.75 4.29 4.15 2rhiA1 GLU 429 HB2 0.03 0.02 0.14 -0.04 2.09 2.23 2rhiA1 GLU 429 HB3 0.03 0.09 0.19 -0.04 1.99 2.27 2rhiA1 GLU 429 HG2 0.02 0.02 -0.13 -0.04 2.34 2.20 2rhiA1 GLU 429 HG3 0.01 -0.02 0.07 -0.04 2.34 2.36 2rhiA1 GLU 430 H 0.03 0.52 -0.03 -0.55 8.60 8.56 2rhiA1 GLU 430 HA 0.02 0.01 0.41 -0.75 4.29 3.97 2rhiA1 GLU 430 HB2 0.05 0.08 0.16 -0.04 2.09 2.34 2rhiA1 GLU 430 HB3 0.07 -0.05 0.05 -0.04 1.99 2.02 2rhiA1 GLU 430 HG2 0.07 -0.07 0.04 -0.04 2.34 2.33 2rhiA1 GLU 430 HG3 0.09 0.47 0.09 -0.04 2.34 2.95 2rhiA1 THR 431 H -0.11 0.38 -0.22 -0.55 8.28 7.77 2rhiA1 THR 431 HA -0.06 0.14 0.75 -0.75 4.39 4.47 2rhiA1 THR 431 HB -0.12 -0.02 0.08 -0.04 4.32 4.22 2rhiA1 THR 431 HG23 -0.45 0.01 -0.01 -0.04 1.22 0.72 2rhiA1 GLY 432 H -0.03 0.32 -0.23 -0.55 8.43 7.94 2rhiA1 GLY 432 HA2 -0.01 0.00 0.35 -0.51 4.01 3.85 2rhiA1 GLY 432 HA3 -0.01 0.01 0.46 -0.51 4.01 3.96 2rhiA1 ALA 433 H -0.04 0.01 -0.21 -0.55 8.40 7.61 2rhiA1 ALA 433 HA -0.01 0.15 0.72 -0.75 4.34 4.44 2rhiA1 ALA 433 HB3 -0.00 0.03 0.05 -0.04 1.41 1.44 2rhiA1 SER 434 H -0.02 0.18 0.15 -0.55 8.46 8.22 2rhiA1 SER 434 HA -0.03 0.12 0.80 -0.75 4.49 4.63 2rhiA1 SER 434 HB2 -0.05 -0.01 0.04 -0.04 3.95 3.89 2rhiA1 SER 434 HB3 -0.06 0.09 0.04 -0.04 3.93 3.96 2rhiA1 ALA 435 H -0.09 0.12 0.17 -0.55 8.40 8.05 2rhiA1 ALA 435 HA -0.16 0.11 0.82 -0.75 4.34 4.35 2rhiA1 ALA 435 HB3 -0.22 -0.02 0.11 -0.04 1.41 1.23 2rhiA1 VAL 436 H -0.16 0.61 0.32 -0.55 8.24 8.46 2rhiA1 VAL 436 HA -0.40 0.11 0.49 -0.75 4.13 3.58 2rhiA1 VAL 436 HB -0.11 -0.10 0.06 -0.04 2.12 1.92 2rhiA1 VAL 436 HG13 -1.55 0.10 -0.14 -0.04 0.97 -0.66 2rhiA1 VAL 436 HG23 -0.35 0.02 -0.10 -0.04 0.95 0.48 2rhiA1 PRO 437 HA -0.15 0.02 0.52 -0.51 4.44 4.32 2rhiA1 PRO 437 HB2 -0.58 -0.11 0.04 -0.04 2.28 1.59 2rhiA1 PRO 437 HB3 -0.07 0.06 0.15 -0.04 2.02 2.12 2rhiA1 PRO 437 HG2 -1.44 -0.04 0.13 -0.04 2.03 0.64 2rhiA1 PRO 437 HG3 -0.40 0.03 0.12 -0.04 2.03 1.75 2rhiA1 PRO 437 HD2 -0.63 0.34 0.35 -0.04 3.68 3.69 2rhiA1 PRO 437 HD3 -0.28 0.15 0.27 -0.04 3.65 3.75 2rhiA1 THR 438 H -0.03 0.13 0.19 -0.55 8.28 8.02 2rhiA1 THR 438 HA 0.13 0.10 0.38 -0.75 4.39 4.24 2rhiA1 THR 438 HB 0.08 -0.05 0.13 -0.04 4.32 4.45 2rhiA1 THR 438 HG23 0.06 0.02 -0.04 -0.04 1.22 1.22 2rhiA1 TRP 439 H 0.11 0.01 -0.21 -0.55 7.97 7.34 2rhiA1 TRP 439 HA 0.07 0.12 0.33 -0.75 4.62 4.39 2rhiA1 TRP 439 HB2 0.03 0.04 0.04 -0.04 3.23 3.30 2rhiA1 TRP 439 HB3 0.02 -0.06 0.06 -0.04 3.23 3.22 2rhiA1 TRP 439 HD1 -0.01 -0.06 0.00 -0.04 7.22 7.12 2rhiA1 TRP 439 HE1 -0.04 -0.00 0.00 -0.04 10.20 10.12 2rhiA1 TRP 439 HE3 0.02 0.05 -0.47 -0.04 7.59 7.15 2rhiA1 TRP 439 HZ2 -0.05 -0.01 -0.02 -0.04 7.44 7.32 2rhiA1 TRP 439 HZ3 0.02 0.02 -0.20 -0.04 7.13 6.92 2rhiA1 TRP 439 HH2 -0.01 -0.09 -0.14 -0.04 7.19 6.90 2rhiA1 ALA 440 H -0.84 0.34 -0.50 -0.55 8.40 6.85 2rhiA1 ALA 440 HA -0.38 0.05 0.38 -0.75 4.34 3.64 2rhiA1 ALA 440 HB3 -1.26 0.01 0.01 -0.04 1.41 0.13 2rhiA1 PHE 441 H 0.15 0.32 -0.24 -0.55 8.34 8.03 2rhiA1 PHE 441 HA 0.15 0.11 0.60 -0.75 4.62 4.73 2rhiA1 PHE 441 HB2 0.01 0.07 0.17 -0.04 3.15 3.36 2rhiA1 PHE 441 HB3 0.02 -0.00 0.01 -0.04 3.06 3.05 2rhiA1 PHE 441 HD2 -0.07 0.13 -0.09 -0.04 7.28 7.21 2rhiA1 PHE 441 HE2 -0.12 0.02 -0.34 -0.04 7.38 6.90 2rhiA1 PHE 441 HZ -0.13 -0.05 -0.20 -0.04 7.32 6.90 2rhiA1 LYS 442 H 0.15 0.59 0.13 -0.55 8.42 8.74 2rhiA1 LYS 442 HA 0.14 0.12 0.77 -0.75 4.32 4.59 2rhiA1 LYS 442 HB2 0.11 -0.06 0.00 -0.04 1.87 1.89 2rhiA1 LYS 442 HB3 0.11 -0.05 0.06 -0.04 1.79 1.87 2rhiA1 LYS 442 HG2 0.15 -0.04 -0.10 -0.04 1.46 1.44 2rhiA1 LYS 442 HG3 0.17 0.10 -0.80 -0.04 1.46 0.89 2rhiA1 LYS 442 HD2 0.16 -0.00 -0.04 -0.04 1.69 1.77 2rhiA1 LYS 442 HD3 0.14 -0.10 -0.03 -0.04 1.68 1.65 2rhiA1 LYS 442 HE2 0.23 -0.11 -0.03 -0.04 2.99 3.04 2rhiA1 LYS 442 HE3 0.32 0.36 -0.03 -0.04 2.99 3.60 2rhiA1 VAL 443 H 0.11 0.09 -0.10 -0.55 8.24 7.79 2rhiA1 VAL 443 HA 0.02 0.08 0.32 -0.75 4.13 3.79 2rhiA1 VAL 443 HB 0.03 -0.01 0.05 -0.04 2.12 2.14 2rhiA1 VAL 443 HG13 0.07 -0.01 -0.10 -0.04 0.97 0.89 2rhiA1 VAL 443 HG23 -0.08 0.06 -0.08 -0.04 0.95 0.81 2rhiA1 ARG 444 H -0.02 0.40 0.29 -0.55 8.46 8.58 2rhiA1 ARG 444 HA 0.06 0.08 0.56 -0.75 4.34 4.29 2rhiA1 ARG 444 HB2 0.07 0.01 0.12 -0.04 1.90 2.06 2rhiA1 ARG 444 HB3 0.03 -0.08 0.16 -0.04 1.80 1.87 2rhiA1 ARG 444 HG2 -0.07 -0.03 0.13 -0.04 1.67 1.66 2rhiA1 ARG 444 HG3 0.16 0.21 -0.23 -0.04 1.67 1.77 2rhiA1 ARG 444 HD2 0.02 -0.10 0.03 -0.04 3.22 3.12 2rhiA1 ARG 444 HD3 0.07 -0.01 0.00 -0.04 3.22 3.24 2rhiA1 PRO 445 HA 0.08 0.08 0.51 -0.51 4.44 4.60 2rhiA1 PRO 445 HB2 0.02 0.11 0.08 -0.04 2.28 2.45 2rhiA1 PRO 445 HB3 0.04 -0.04 0.11 -0.04 2.02 2.10 2rhiA1 PRO 445 HG2 0.05 0.06 -0.00 -0.04 2.03 2.10 2rhiA1 PRO 445 HG3 0.04 -0.02 0.06 -0.04 2.03 2.07 2rhiA1 PRO 445 HD2 0.06 0.02 0.22 -0.04 3.68 3.95 2rhiA1 PRO 445 HD3 0.06 0.14 0.20 -0.04 3.65 4.00 2rhiA1 PRO 446 HA -0.35 0.12 0.56 -0.51 4.44 4.26 2rhiA1 PRO 446 HB2 -0.18 0.03 0.10 -0.04 2.28 2.19 2rhiA1 PRO 446 HB3 -0.35 -0.03 0.27 -0.04 2.02 1.88 2rhiA1 PRO 446 HG2 -0.10 -0.02 0.11 -0.04 2.03 1.97 2rhiA1 PRO 446 HG3 -0.20 0.00 0.10 -0.04 2.03 1.89 2rhiA1 PRO 446 HD2 -0.03 0.06 0.21 -0.04 3.68 3.88 2rhiA1 PRO 446 HD3 0.02 0.11 0.23 -0.04 3.65 3.97 2rhiA1 HIS 447 H -0.20 0.33 0.35 -0.55 8.41 8.34 2rhiA1 HIS 447 HA 0.02 0.12 0.50 -0.75 4.63 4.51 2rhiA1 HIS 447 HB2 0.21 -0.05 0.16 -0.04 3.26 3.54 2rhiA1 HIS 447 HB3 0.12 0.01 0.14 -0.04 3.20 3.43 2rhiA1 HIS 447 HD2 0.05 -0.16 -0.23 -0.04 6.97 6.58 2rhiA1 HIS 447 HE1 0.11 0.05 -0.04 -0.04 7.75 7.82 2rhiA1 SER 448 H 0.05 0.14 0.12 -0.55 8.46 8.22 2rhiA1 SER 448 HA 0.01 0.28 0.89 -0.75 4.49 4.91 2rhiA1 SER 448 HB2 -0.10 -0.02 0.06 -0.04 3.95 3.85 2rhiA1 SER 448 HB3 -0.05 -0.05 0.15 -0.04 3.93 3.94 2rhiA1 PHE 449 H 0.80 0.07 -0.14 -0.55 8.34 8.52 2rhiA1 PHE 449 HA -0.03 0.03 0.50 -0.75 4.62 4.36 2rhiA1 PHE 449 HB2 -0.22 0.00 0.00 -0.04 3.15 2.89 2rhiA1 PHE 449 HB3 -0.11 0.02 -0.11 -0.04 3.06 2.82 2rhiA1 PHE 449 HD2 -0.33 -0.04 -0.03 -0.04 7.28 6.84 2rhiA1 PHE 449 HE2 -0.50 0.06 -0.08 -0.04 7.38 6.82 2rhiA1 PHE 449 HZ -1.85 0.03 -0.22 -0.04 7.32 5.24 2rhiA1 LEU 450 H 0.11 0.13 0.17 -0.55 8.37 8.23 2rhiA1 LEU 450 HA 0.09 0.18 0.88 -0.75 4.35 4.75 2rhiA1 LEU 450 HB2 0.04 -0.03 0.04 -0.04 1.64 1.65 2rhiA1 LEU 450 HB3 0.04 0.03 0.03 -0.04 1.64 1.70 2rhiA1 LEU 450 HG 0.02 0.12 -0.11 -0.04 1.64 1.62 2rhiA1 LEU 450 HD13 0.01 -0.01 -0.01 -0.04 0.93 0.87 2rhiA1 LEU 450 HD23 0.03 0.03 -0.14 -0.04 0.89 0.77 2rhiA1 VAL 451 H 0.05 0.11 0.06 -0.55 8.24 7.91 2rhiA1 VAL 451 HA 0.02 0.06 0.25 -0.75 4.13 3.71 2rhiA1 VAL 451 HB 0.02 -0.04 0.07 -0.04 2.12 2.13 2rhiA1 VAL 451 HG13 -0.00 0.04 -0.10 -0.04 0.97 0.87 2rhiA1 VAL 451 HG23 0.02 -0.02 -0.15 -0.04 0.95 0.76 2rhiA1 ASN 452 H 0.03 0.75 0.34 -0.55 8.53 9.10 2rhiA1 ASN 452 HA 0.06 0.00 0.38 -0.75 4.76 4.45 2rhiA1 ASN 452 HB2 0.04 0.26 0.31 -0.04 2.88 3.46 2rhiA1 ASN 452 HB3 0.05 -0.04 0.17 -0.04 2.79 2.92 2rhiA1 ASN 452 HD21 0.01 -0.05 -0.07 -0.04 7.03 6.88 2rhiA1 ASN 452 HD22 0.02 0.05 -0.09 -0.04 7.74 7.68 2rhiA1 MET 453 H 0.07 0.41 -0.24 -0.55 8.47 8.17 2rhiA1 MET 453 HA 0.08 0.15 0.45 -0.75 4.52 4.44 2rhiA1 MET 453 HB2 0.13 -0.00 0.11 -0.04 2.15 2.35 2rhiA1 MET 453 HB3 0.11 -0.06 -0.10 -0.04 2.03 1.94 2rhiA1 MET 453 HG2 0.04 0.03 -0.12 -0.04 2.63 2.54 2rhiA1 MET 453 HG3 0.06 0.13 -0.03 -0.04 2.56 2.68 2rhiA1 MET 453 HE3 -0.02 0.04 0.05 -0.04 2.10 2.12 2rhiA1 LYS 454 H 0.10 0.39 0.52 -0.55 8.42 8.88 2rhiA1 LYS 454 HA 0.21 0.28 1.19 -0.75 4.32 5.23 2rhiA1 LYS 454 HB2 0.25 -0.10 0.13 -0.04 1.87 2.11 2rhiA1 LYS 454 HB3 0.62 0.01 0.19 -0.04 1.79 2.56 2rhiA1 LYS 454 HG2 0.31 0.03 -0.03 -0.04 1.46 1.72 2rhiA1 LYS 454 HG3 0.23 0.15 0.05 -0.04 1.46 1.85 2rhiA1 LYS 454 HD2 0.56 -0.09 -0.07 -0.04 1.69 2.06 2rhiA1 LYS 454 HD3 0.76 -0.04 -0.04 -0.04 1.68 2.32 2rhiA1 LYS 454 HE2 0.15 0.05 -0.02 -0.04 2.99 3.13 2rhiA1 LYS 454 HE3 0.08 -0.04 -0.06 -0.04 2.99 2.92 2rhiA1 LEU 455 H 0.27 0.73 0.37 -0.55 8.37 9.19 2rhiA1 LEU 455 HA -0.05 -0.07 0.60 -0.75 4.35 4.07 2rhiA1 LEU 455 HB2 0.25 0.29 0.24 -0.04 1.64 2.38 2rhiA1 LEU 455 HB3 0.28 0.00 -0.19 -0.04 1.64 1.69 2rhiA1 LEU 455 HG 0.09 0.01 -0.39 -0.04 1.64 1.32 2rhiA1 LEU 455 HD13 0.02 0.01 -0.16 -0.04 0.93 0.76 2rhiA1 LEU 455 HD23 0.04 0.01 -0.39 -0.04 0.89 0.51 2rhiA1 GLU 456 H 0.12 0.76 0.25 -0.55 8.60 9.18 2rhiA1 GLU 456 HA 0.28 0.28 0.99 -0.75 4.29 5.09 2rhiA1 GLU 456 HB2 0.18 0.05 -0.08 -0.04 2.09 2.21 2rhiA1 GLU 456 HB3 0.21 0.04 -0.09 -0.04 1.99 2.11 2rhiA1 GLU 456 HG2 0.55 0.09 -0.14 -0.04 2.34 2.79 2rhiA1 GLU 456 HG3 0.44 -0.12 -0.37 -0.04 2.34 2.24 2rhiA1 ALA 457 H 0.19 0.51 0.23 -0.55 8.40 8.78 2rhiA1 ALA 457 HA 0.02 0.26 0.87 -0.75 4.34 4.73 2rhiA1 ALA 457 HB3 0.13 0.01 -0.11 -0.04 1.41 1.40 2rhiA1 VAL 458 H 0.01 0.61 0.25 -0.55 8.24 8.56 2rhiA1 VAL 458 HA -0.08 0.07 0.62 -0.75 4.13 3.99 2rhiA1 VAL 458 HB -0.02 -0.06 0.09 -0.04 2.12 2.09 2rhiA1 VAL 458 HG13 -0.12 0.09 -0.08 -0.04 0.97 0.82 2rhiA1 VAL 458 HG23 -0.04 0.01 -0.00 -0.04 0.95 0.88 2rhiA1 ASP 459 H -0.19 0.77 0.28 -0.55 8.40 8.71 2rhiA1 ASP 459 HA -0.13 0.02 0.42 -0.75 4.63 4.18 2rhiA1 ASP 459 HB2 -0.48 0.00 -0.03 -0.04 2.71 2.16 2rhiA1 ASP 459 HB3 -0.29 0.24 0.02 -0.04 2.70 2.63 2rhiA1 ARG 460 H -0.17 0.14 0.12 -0.55 8.46 8.00 2rhiA1 ARG 460 HA -0.21 0.18 0.48 -0.75 4.34 4.05 2rhiA1 ARG 460 HB2 -0.42 -0.01 0.04 -0.04 1.90 1.47 2rhiA1 ARG 460 HB3 -0.35 0.02 0.06 -0.04 1.80 1.49 2rhiA1 ARG 460 HG2 -0.95 0.03 0.02 -0.04 1.67 0.73 2rhiA1 ARG 460 HG3 -1.87 0.02 -0.01 -0.04 1.67 -0.24 2rhiA1 ARG 460 HD2 -0.30 0.03 -0.14 -0.04 3.22 2.77 2rhiA1 ARG 460 HD3 -0.48 0.01 -0.08 -0.04 3.22 2.64 2rhiA1 ARG 461 H -0.23 -0.03 -0.16 -0.55 8.46 7.49 2rhiA1 ARG 461 HA -0.10 0.20 0.67 -0.75 4.34 4.34 2rhiA1 ARG 461 HB2 -0.27 -0.05 0.02 -0.04 1.90 1.56 2rhiA1 ARG 461 HB3 -0.13 0.02 0.01 -0.04 1.80 1.65 2rhiA1 ARG 461 HG2 -0.07 0.06 -0.04 -0.04 1.67 1.58 2rhiA1 ARG 461 HG3 -0.16 -0.07 -0.05 -0.04 1.67 1.34 2rhiA1 ARG 461 HD2 -0.04 0.04 -0.02 -0.04 3.22 3.16 2rhiA1 ARG 461 HD3 -0.50 -0.02 -0.01 -0.04 3.22 2.64 2rhiA1 ASN 462 H -0.21 0.04 -0.29 -0.55 8.53 7.52 2rhiA1 ASN 462 HA -0.06 0.23 0.69 -0.75 4.76 4.87 2rhiA1 ASN 462 HB2 -0.12 0.06 -0.07 -0.04 2.88 2.71 2rhiA1 ASN 462 HB3 -0.19 -0.05 0.13 -0.04 2.79 2.64 2rhiA1 ASN 462 HD21 -0.05 0.02 -0.04 -0.04 7.03 6.92 2rhiA1 ASN 462 HD22 -0.09 0.01 -0.02 -0.04 7.74 7.60 2rhiA1 PRO 463 HA -0.19 0.30 0.40 -0.51 4.44 4.44 2rhiA1 PRO 463 HB2 0.06 -0.04 0.01 -0.04 2.28 2.27 2rhiA1 PRO 463 HB3 0.02 0.09 0.06 -0.04 2.02 2.15 2rhiA1 PRO 463 HG2 0.26 -0.03 -0.07 -0.04 2.03 2.14 2rhiA1 PRO 463 HG3 0.19 0.09 -0.00 -0.04 2.03 2.27 2rhiA1 PRO 463 HD2 0.02 0.09 0.05 -0.04 3.68 3.80 2rhiA1 PRO 463 HD3 -0.02 0.24 -0.24 -0.04 3.65 3.60 2rhiA1 ALA 464 H -0.19 0.02 -0.60 -0.55 8.40 7.08 2rhiA1 ALA 464 HA -1.60 0.08 0.39 -0.75 4.34 2.46 2rhiA1 ALA 464 HB3 -0.05 -0.01 -0.03 -0.04 1.41 1.28 2rhiA1 LEU 465 H -0.26 0.45 -0.11 -0.55 8.37 7.90 2rhiA1 LEU 465 HA -0.12 0.19 0.78 -0.75 4.35 4.45 2rhiA1 LEU 465 HB2 -0.27 -0.01 0.04 -0.04 1.64 1.36 2rhiA1 LEU 465 HB3 -0.20 -0.00 -0.01 -0.04 1.64 1.38 2rhiA1 LEU 465 HG -0.16 -0.06 -0.03 -0.04 1.64 1.34 2rhiA1 LEU 465 HD13 -0.17 -0.01 -0.03 -0.04 0.93 0.67 2rhiA1 LEU 465 HD23 -0.11 0.02 -0.17 -0.04 0.89 0.59 2rhiA1 ILE 466 H -0.08 0.29 0.19 -0.55 8.25 8.10 2rhiA1 ILE 466 HA -0.13 0.19 0.84 -0.75 4.18 4.32 2rhiA1 ILE 466 HB -0.08 0.09 0.05 -0.04 1.89 1.91 2rhiA1 ILE 466 HG12 -0.15 0.01 -0.18 -0.04 1.49 1.13 2rhiA1 ILE 466 HG13 -0.28 0.04 -0.49 -0.04 1.21 0.43 2rhiA1 ILE 466 HG23 0.05 -0.03 -0.31 -0.04 0.93 0.60 2rhiA1 ILE 466 HD13 -0.43 -0.00 -0.17 -0.04 0.88 0.24 2rhiA1 ARG 467 H -0.08 0.64 0.24 -0.55 8.46 8.71 2rhiA1 ARG 467 HA -0.18 0.19 1.13 -0.75 4.34 4.72 2rhiA1 ARG 467 HB2 -0.58 0.01 -0.08 -0.04 1.90 1.21 2rhiA1 ARG 467 HB3 -0.25 0.09 0.05 -0.04 1.80 1.64 2rhiA1 ARG 467 HG2 -0.39 0.03 -0.18 -0.04 1.67 1.09 2rhiA1 ARG 467 HG3 -0.63 -0.08 -0.30 -0.04 1.67 0.61 2rhiA1 ARG 467 HD2 -2.20 -0.02 -0.09 -0.04 3.22 0.87 2rhiA1 ARG 467 HD3 -0.79 0.06 -0.08 -0.04 3.22 2.38 2rhiA1 VAL 468 H -0.19 0.44 0.21 -0.55 8.24 8.15 2rhiA1 VAL 468 HA 0.21 0.05 0.60 -0.75 4.13 4.23 2rhiA1 VAL 468 HB -0.26 0.01 0.15 -0.04 2.12 1.98 2rhiA1 VAL 468 HG13 -0.04 -0.02 -0.05 -0.04 0.97 0.83 2rhiA1 VAL 468 HG23 -1.01 0.03 0.04 -0.04 0.95 -0.03 2rhiA1 ALA 469 H 0.41 0.67 0.49 -0.55 8.40 9.42 2rhiA1 ALA 469 HA 0.17 0.12 1.10 -0.75 4.34 4.98 2rhiA1 ALA 469 HB3 0.08 -0.01 -0.18 -0.04 1.41 1.26 2rhiA1 SER 470 H 0.03 0.62 0.38 -0.55 8.46 8.94 2rhiA1 SER 470 HA 0.14 0.29 0.93 -0.75 4.49 5.10 2rhiA1 SER 470 HB2 0.21 -0.06 -0.03 -0.04 3.95 4.03 2rhiA1 SER 470 HB3 0.14 0.06 -0.06 -0.04 3.93 4.02 2rhiA1 VAL 471 H 0.04 0.58 0.16 -0.55 8.24 8.47 2rhiA1 VAL 471 HA -0.16 0.16 0.69 -0.75 4.13 4.08 2rhiA1 VAL 471 HB 0.02 -0.06 0.20 -0.04 2.12 2.24 2rhiA1 VAL 471 HG13 -0.05 -0.03 -0.32 -0.04 0.97 0.53 2rhiA1 VAL 471 HG23 -0.02 0.03 -0.09 -0.04 0.95 0.83 2rhiA1 GLU 472 H -0.22 0.84 0.38 -0.55 8.60 9.06 2rhiA1 GLU 472 HA -0.07 0.08 0.61 -0.75 4.29 4.16 2rhiA1 GLU 472 HB2 -0.08 -0.02 -0.12 -0.04 2.09 1.82 2rhiA1 GLU 472 HB3 -0.30 0.00 -0.12 -0.04 1.99 1.53 2rhiA1 GLU 472 HG2 -0.15 -0.00 -0.13 -0.04 2.34 2.02 2rhiA1 GLU 472 HG3 -0.17 -0.01 -0.17 -0.04 2.34 1.95 2rhiA1 ASP 473 H -0.27 0.28 0.23 -0.55 8.40 8.10 2rhiA1 ASP 473 HA -0.02 0.12 0.51 -0.75 4.63 4.49 2rhiA1 ASP 473 HB2 -0.16 0.10 -0.31 -0.04 2.71 2.30 2rhiA1 ASP 473 HB3 -0.46 -0.06 -0.13 -0.04 2.70 2.01 2rhiA1 VAL 474 H 0.18 0.26 0.18 -0.55 8.24 8.30 2rhiA1 VAL 474 HA 0.35 0.15 0.97 -0.75 4.13 4.84 2rhiA1 VAL 474 HB 0.29 0.20 0.10 -0.04 2.12 2.67 2rhiA1 VAL 474 HG13 0.14 0.01 -0.35 -0.04 0.97 0.74 2rhiA1 VAL 474 HG23 0.10 -0.01 -0.08 -0.04 0.95 0.91 2rhiA1 GLU 475 H 0.35 0.68 0.33 -0.55 8.60 9.42 2rhiA1 GLU 475 HA 0.02 0.17 0.71 -0.75 4.29 4.43 2rhiA1 GLU 475 HB2 0.00 -0.12 0.06 -0.04 2.09 1.99 2rhiA1 GLU 475 HB3 -0.10 -0.08 0.17 -0.04 1.99 1.95 2rhiA1 GLU 475 HG2 -0.22 0.08 -0.01 -0.04 2.34 2.15 2rhiA1 GLU 475 HG3 -0.46 -0.03 -0.38 -0.04 2.34 1.43 2rhiA1 ASP 476 H -0.11 0.15 0.17 -0.55 8.40 8.07 2rhiA1 ASP 476 HA -0.33 0.16 0.47 -0.75 4.63 4.18 2rhiA1 ASP 476 HB2 -0.22 -0.05 0.17 -0.04 2.71 2.57 2rhiA1 ASP 476 HB3 -0.65 0.08 0.07 -0.04 2.70 2.15 2rhiA1 HIS 477 H -0.03 -0.02 -0.09 -0.55 8.41 7.73 2rhiA1 HIS 477 HA 0.18 0.24 1.05 -0.75 4.63 5.35 2rhiA1 HIS 477 HB2 -0.08 -0.01 0.02 -0.04 3.26 3.15 2rhiA1 HIS 477 HB3 -0.03 -0.04 0.18 -0.04 3.20 3.27 2rhiA1 HIS 477 HD2 -0.12 -0.02 -0.03 -0.04 6.97 6.75 2rhiA1 HIS 477 HE1 -0.03 0.35 -0.30 -0.04 7.75 7.73 2rhiA1 ARG 478 H 0.20 0.06 -0.06 -0.55 8.46 8.11 2rhiA1 ARG 478 HA 0.14 0.17 1.07 -0.75 4.34 4.96 2rhiA1 ARG 478 HB2 0.09 -0.07 -0.09 -0.04 1.90 1.78 2rhiA1 ARG 478 HB3 0.33 0.09 -0.05 -0.04 1.80 2.13 2rhiA1 ARG 478 HG2 0.17 0.05 -0.27 -0.04 1.67 1.59 2rhiA1 ARG 478 HG3 0.09 -0.11 -0.27 -0.04 1.67 1.35 2rhiA1 ARG 478 HD2 0.12 0.01 -0.24 -0.04 3.22 3.06 2rhiA1 ARG 478 HD3 0.10 0.04 -0.14 -0.04 3.22 3.19 2rhiA1 ILE 479 H 0.07 0.71 0.33 -0.55 8.25 8.81 2rhiA1 ILE 479 HA 0.13 0.18 0.96 -0.75 4.18 4.69 2rhiA1 ILE 479 HB -0.31 0.02 0.02 -0.04 1.89 1.58 2rhiA1 ILE 479 HG12 -0.37 0.03 -0.08 -0.04 1.49 1.03 2rhiA1 ILE 479 HG13 -0.35 -0.02 -0.25 -0.04 1.21 0.54 2rhiA1 ILE 479 HG23 -0.64 -0.01 -0.18 -0.04 0.93 0.06 2rhiA1 ILE 479 HD13 -0.76 0.00 -0.16 -0.04 0.88 -0.08 2rhiA1 LYS 480 H -0.44 0.61 0.27 -0.55 8.42 8.30 2rhiA1 LYS 480 HA -0.85 0.26 0.88 -0.75 4.32 3.86 2rhiA1 LYS 480 HB2 -2.44 -0.02 -0.12 -0.04 1.87 -0.76 2rhiA1 LYS 480 HB3 -0.79 -0.19 0.08 -0.04 1.79 0.84 2rhiA1 LYS 480 HG2 -0.65 0.05 -0.29 -0.04 1.46 0.54 2rhiA1 LYS 480 HG3 -1.23 -0.00 -0.38 -0.04 1.46 -0.20 2rhiA1 LYS 480 HD2 -1.09 -0.03 -0.18 -0.04 1.69 0.34 2rhiA1 LYS 480 HD3 -0.47 -0.01 -0.20 -0.04 1.68 0.96 2rhiA1 LYS 480 HE2 -0.28 0.06 -0.24 -0.04 2.99 2.49 2rhiA1 LYS 480 HE3 -0.61 -0.02 -0.22 -0.04 2.99 2.09 2rhiA1 ILE 481 H -0.91 0.80 0.33 -0.55 8.25 7.93 2rhiA1 ILE 481 HA -0.47 0.20 0.84 -0.75 4.18 4.00 2rhiA1 ILE 481 HB -2.06 0.04 0.12 -0.04 1.89 -0.05 2rhiA1 ILE 481 HG12 -0.66 0.02 -0.15 -0.04 1.49 0.66 2rhiA1 ILE 481 HG13 -0.56 0.03 -0.11 -0.04 1.21 0.53 2rhiA1 ILE 481 HG23 -0.78 -0.02 -0.28 -0.04 0.93 -0.19 2rhiA1 ILE 481 HD13 -0.33 0.00 -0.21 -0.04 0.88 0.30 2rhiA1 HIS 482 H -0.21 0.60 0.34 -0.55 8.41 8.59 2rhiA1 HIS 482 HA -0.21 0.14 0.80 -0.75 4.63 4.61 2rhiA1 HIS 482 HB2 -0.04 -0.00 -0.07 -0.04 3.26 3.11 2rhiA1 HIS 482 HB3 -0.05 0.01 0.02 -0.04 3.20 3.13 2rhiA1 HIS 482 HD2 0.07 -0.04 -0.24 -0.04 6.97 6.72 2rhiA1 HIS 482 HE1 -0.38 0.39 -0.13 -0.04 7.75 7.58 2rhiA1 PHE 483 H -0.29 0.20 -0.02 -0.55 8.34 7.67 2rhiA1 PHE 483 HA -0.12 0.22 0.86 -0.75 4.62 4.83 2rhiA1 PHE 483 HB2 -0.22 -0.05 0.09 -0.04 3.15 2.93 2rhiA1 PHE 483 HB3 -0.12 0.08 -0.02 -0.04 3.06 2.96 2rhiA1 PHE 483 HD2 -0.17 0.10 -0.13 -0.04 7.28 7.03 2rhiA1 PHE 483 HE2 -0.06 -0.01 -0.10 -0.04 7.38 7.16 2rhiA1 PHE 483 HZ 0.03 0.23 -0.32 -0.04 7.32 7.22 2rhiA1 ASP 484 H 0.12 0.31 0.13 -0.55 8.40 8.42 2rhiA1 ASP 484 HA 0.11 -0.01 0.31 -0.75 4.63 4.29 2rhiA1 ASP 484 HB2 0.10 0.01 0.08 -0.04 2.71 2.86 2rhiA1 ASP 484 HB3 0.22 0.02 -0.01 -0.04 2.70 2.88 2rhiA1 GLY 485 H 0.17 0.12 0.17 -0.55 8.43 8.35 2rhiA1 GLY 485 HA2 0.01 0.01 0.43 -0.51 4.01 3.95 2rhiA1 GLY 485 HA3 -0.10 0.14 0.67 -0.51 4.01 4.20 2rhiA1 TRP 486 H 0.24 0.56 -0.30 -0.55 7.97 7.93 2rhiA1 TRP 486 HA 0.07 0.21 0.88 -0.75 4.62 5.02 2rhiA1 TRP 486 HB2 0.05 0.06 0.06 -0.04 3.23 3.36 2rhiA1 TRP 486 HB3 0.24 -0.02 0.11 -0.04 3.23 3.52 2rhiA1 TRP 486 HD1 -0.07 0.15 -0.25 -0.04 7.22 7.02 2rhiA1 TRP 486 HE1 -0.21 0.06 -0.06 -0.04 10.20 9.95 2rhiA1 TRP 486 HE3 0.07 0.07 0.09 -0.04 7.59 7.78 2rhiA1 TRP 486 HZ2 -0.19 0.00 -0.05 -0.04 7.44 7.17 2rhiA1 TRP 486 HZ3 -0.10 -0.04 -0.02 -0.04 7.13 6.93 2rhiA1 TRP 486 HH2 -0.14 -0.03 -0.04 -0.04 7.19 6.94 2rhiA1 SER 487 H 0.50 0.69 0.22 -0.55 8.46 9.32 2rhiA1 SER 487 HA 0.11 0.04 0.15 -0.75 4.49 4.03 2rhiA1 SER 487 HB2 0.10 0.11 -0.11 -0.04 3.95 4.01 2rhiA1 SER 487 HB3 0.02 0.04 0.08 -0.04 3.93 4.03 2rhiA1 HIS 488 H 0.12 0.16 0.13 -0.55 8.41 8.28 2rhiA1 HIS 488 HA 0.20 0.13 0.49 -0.75 4.63 4.70 2rhiA1 HIS 488 HB2 0.00 -0.02 0.09 -0.04 3.26 3.30 2rhiA1 HIS 488 HB3 -0.02 0.04 0.09 -0.04 3.20 3.27 2rhiA1 HIS 488 HD2 -0.02 -0.04 -0.01 -0.04 6.97 6.86 2rhiA1 HIS 488 HE1 -0.70 0.02 -0.06 -0.04 7.75 6.97 2rhiA1 GLY 489 H -0.02 -0.01 -0.49 -0.55 8.43 7.37 2rhiA1 GLY 489 HA2 -0.03 0.10 0.38 -0.51 4.01 3.96 2rhiA1 GLY 489 HA3 -0.19 -0.00 0.23 -0.51 4.01 3.54 2rhiA1 TYR 490 H 0.07 0.34 -0.52 -0.55 8.29 7.63 2rhiA1 TYR 490 HA 0.07 0.19 0.76 -0.75 4.56 4.83 2rhiA1 TYR 490 HB2 0.13 0.07 -0.02 -0.04 3.06 3.20 2rhiA1 TYR 490 HB3 0.08 -0.06 0.08 -0.04 2.98 3.05 2rhiA1 TYR 490 HD2 0.13 0.08 -0.01 -0.04 7.15 7.31 2rhiA1 TYR 490 HE2 0.23 0.05 0.04 -0.04 6.85 7.14 2rhiA1 ASP 491 H 0.15 0.27 -0.26 -0.55 8.40 8.01 2rhiA1 ASP 491 HA -0.05 0.20 0.57 -0.75 4.63 4.59 2rhiA1 ASP 491 HB2 0.01 0.07 0.08 -0.04 2.71 2.83 2rhiA1 ASP 491 HB3 -0.16 -0.05 -0.05 -0.04 2.70 2.39 2rhiA1 PHE 492 H -0.57 0.39 0.34 -0.55 8.34 7.95 2rhiA1 PHE 492 HA -0.10 0.12 0.80 -0.75 4.62 4.69 2rhiA1 PHE 492 HB2 -0.04 0.03 0.06 -0.04 3.15 3.17 2rhiA1 PHE 492 HB3 -0.05 0.13 -0.20 -0.04 3.06 2.89 2rhiA1 PHE 492 HD2 -0.14 0.27 -0.15 -0.04 7.28 7.22 2rhiA1 PHE 492 HE2 -0.47 -0.03 -0.11 -0.04 7.38 6.73 2rhiA1 PHE 492 HZ -0.20 0.07 -0.09 -0.04 7.32 7.06 2rhiA1 TRP 493 H 0.28 0.16 0.16 -0.55 7.97 8.01 2rhiA1 TRP 493 HA -0.13 0.16 0.75 -0.75 4.62 4.65 2rhiA1 TRP 493 HB2 0.02 0.02 0.09 -0.04 3.23 3.31 2rhiA1 TRP 493 HB3 -0.00 -0.01 -0.09 -0.04 3.23 3.09 2rhiA1 TRP 493 HD1 0.01 0.04 -0.03 -0.04 7.22 7.19 2rhiA1 TRP 493 HE1 -0.01 0.02 -0.10 -0.04 10.20 10.06 2rhiA1 TRP 493 HE3 -0.05 0.05 -0.43 -0.04 7.59 7.13 2rhiA1 TRP 493 HZ2 -0.01 0.02 -0.15 -0.04 7.44 7.26 2rhiA1 TRP 493 HZ3 -0.01 0.03 -0.56 -0.04 7.13 6.55 2rhiA1 TRP 493 HH2 -0.01 0.05 -0.39 -0.04 7.19 6.79 2rhiA1 ILE 494 H 0.18 0.55 0.36 -0.55 8.25 8.78 2rhiA1 ILE 494 HA 0.12 0.10 0.70 -0.75 4.18 4.34 2rhiA1 ILE 494 HB 0.14 0.07 -0.27 -0.04 1.89 1.79 2rhiA1 ILE 494 HG12 -0.04 0.10 0.02 -0.04 1.49 1.52 2rhiA1 ILE 494 HG13 -0.14 -0.02 0.14 -0.04 1.21 1.14 2rhiA1 ILE 494 HG23 -0.17 0.04 -0.13 -0.04 0.93 0.62 2rhiA1 ILE 494 HD13 -0.45 -0.01 -0.08 -0.04 0.88 0.30 2rhiA1 ASP 495 H 0.11 0.15 0.17 -0.55 8.40 8.28 2rhiA1 ASP 495 HA 0.13 0.16 0.71 -0.75 4.63 4.87 2rhiA1 ASP 495 HB2 0.15 -0.00 0.17 -0.04 2.71 2.98 2rhiA1 ASP 495 HB3 0.13 -0.06 0.10 -0.04 2.70 2.83 2rhiA1 ALA 496 H 0.08 0.64 0.36 -0.55 8.40 8.93 2rhiA1 ALA 496 HA -0.25 0.08 0.36 -0.75 4.34 3.78 2rhiA1 ALA 496 HB3 -0.03 0.01 0.04 -0.04 1.41 1.39 2rhiA1 ASP 497 H 0.06 0.02 -0.34 -0.55 8.40 7.60 2rhiA1 ASP 497 HA 0.05 0.20 0.80 -0.75 4.63 4.92 2rhiA1 ASP 497 HB2 0.04 -0.02 0.14 -0.04 2.71 2.83 2rhiA1 ASP 497 HB3 0.06 0.02 0.02 -0.04 2.70 2.76 2rhiA1 HIS 498 H 0.09 0.45 -0.34 -0.55 8.41 8.07 2rhiA1 HIS 498 HA -0.01 0.07 0.41 -0.75 4.63 4.35 2rhiA1 HIS 498 HB2 -0.01 -0.03 0.16 -0.04 3.26 3.34 2rhiA1 HIS 498 HB3 -0.05 0.02 0.04 -0.04 3.20 3.16 2rhiA1 HIS 498 HD2 0.01 -0.05 0.08 -0.04 6.97 6.96 2rhiA1 HIS 498 HE1 0.00 0.06 -0.01 -0.04 7.75 7.76 2rhiA1 PRO 499 HA -0.07 0.15 0.42 -0.51 4.44 4.43 2rhiA1 PRO 499 HB2 -0.02 -0.01 0.07 -0.04 2.28 2.28 2rhiA1 PRO 499 HB3 -0.06 0.02 0.13 -0.04 2.02 2.06 2rhiA1 PRO 499 HG2 -0.27 0.04 0.05 -0.04 2.03 1.81 2rhiA1 PRO 499 HG3 -0.20 0.02 0.10 -0.04 2.03 1.90 2rhiA1 PRO 499 HD2 -1.20 0.04 0.24 -0.04 3.68 2.72 2rhiA1 PRO 499 HD3 -0.28 0.17 0.23 -0.04 3.65 3.74 2rhiA1 ASP 500 H 0.56 0.02 -0.50 -0.55 8.40 7.93 2rhiA1 ASP 500 HA -0.12 0.27 0.87 -0.75 4.63 4.89 2rhiA1 ASP 500 HB2 0.18 -0.01 0.02 -0.04 2.71 2.86 2rhiA1 ASP 500 HB3 0.01 -0.09 0.19 -0.04 2.70 2.77 2rhiA1 ILE 501 H -0.34 0.44 -0.21 -0.55 8.25 7.59 2rhiA1 ILE 501 HA -0.20 0.17 0.99 -0.75 4.18 4.38 2rhiA1 ILE 501 HB -0.06 -0.02 0.01 -0.04 1.89 1.78 2rhiA1 ILE 501 HG12 -0.07 0.09 0.00 -0.04 1.49 1.47 2rhiA1 ILE 501 HG13 0.01 0.01 -0.10 -0.04 1.21 1.09 2rhiA1 ILE 501 HG23 -0.13 -0.04 -0.16 -0.04 0.93 0.57 2rhiA1 ILE 501 HD13 -0.28 0.05 -0.07 -0.04 0.88 0.54 2rhiA1 HIS 502 H -0.09 0.69 0.32 -0.55 8.41 8.78 2rhiA1 HIS 502 HA -0.47 0.23 0.78 -0.75 4.63 4.41 2rhiA1 HIS 502 HB2 -0.44 -0.19 -0.10 -0.04 3.26 2.49 2rhiA1 HIS 502 HB3 -0.85 0.10 0.10 -0.04 3.20 2.50 2rhiA1 HIS 502 HD2 -0.73 -0.10 -0.37 -0.04 6.97 5.72 2rhiA1 HIS 502 HE1 -0.46 0.01 0.07 -0.04 7.75 7.32 2rhiA1 PRO 503 HA -0.31 0.08 0.62 -0.51 4.44 4.32 2rhiA1 PRO 503 HB2 -0.25 0.05 0.04 -0.04 2.28 2.08 2rhiA1 PRO 503 HB3 -0.77 0.05 0.04 -0.04 2.02 1.31 2rhiA1 PRO 503 HG2 -0.13 -0.00 0.03 -0.04 2.03 1.89 2rhiA1 PRO 503 HG3 -0.32 0.03 0.08 -0.04 2.03 1.77 2rhiA1 PRO 503 HD2 -0.35 0.32 0.21 -0.04 3.68 3.82 2rhiA1 PRO 503 HD3 -1.37 0.12 0.02 -0.04 3.65 2.38 2rhiA1 ALA 504 H -0.29 0.20 0.22 -0.55 8.40 7.98 2rhiA1 ALA 504 HA -0.38 -0.01 0.38 -0.75 4.34 3.58 2rhiA1 ALA 504 HB3 -1.45 0.02 0.06 -0.04 1.41 -0.00 2rhiA1 GLY 505 H 0.24 0.08 0.15 -0.55 8.43 8.36 2rhiA1 GLY 505 HA2 0.24 -0.06 0.36 -0.51 4.01 4.04 2rhiA1 GLY 505 HA3 0.04 0.25 0.75 -0.51 4.01 4.55 2rhiA1 TRP 506 H 0.24 0.51 -0.16 -0.55 7.97 8.01 2rhiA1 TRP 506 HA -0.09 0.11 0.31 -0.75 4.62 4.20 2rhiA1 TRP 506 HB2 -0.10 0.21 0.07 -0.04 3.23 3.37 2rhiA1 TRP 506 HB3 -0.07 -0.13 0.01 -0.04 3.23 2.99 2rhiA1 TRP 506 HD1 -0.15 0.03 -0.08 -0.04 7.22 6.98 2rhiA1 TRP 506 HE1 -0.15 0.14 -0.17 -0.04 10.20 9.99 2rhiA1 TRP 506 HE3 -0.25 -0.10 -0.29 -0.04 7.59 6.91 2rhiA1 TRP 506 HZ2 0.02 0.02 -0.02 -0.04 7.44 7.41 2rhiA1 TRP 506 HZ3 -0.38 -0.00 -0.15 -0.04 7.13 6.55 2rhiA1 TRP 506 HH2 -0.08 -0.02 -0.13 -0.04 7.19 6.92 2rhiA1 CYS 507 H 0.35 0.04 -0.15 -0.55 8.50 8.19 2rhiA1 CYS 507 HA -0.00 0.07 0.35 -0.75 4.58 4.25 2rhiA1 CYS 507 HB2 0.23 -0.18 -0.02 -0.04 2.97 2.96 2rhiA1 CYS 507 HB3 0.15 0.42 -0.20 -0.04 2.97 3.29 2rhiA1 SER 508 H 0.16 -0.04 -0.24 -0.55 8.46 7.79 2rhiA1 SER 508 HA 0.05 0.10 0.39 -0.75 4.49 4.28 2rhiA1 SER 508 HB2 0.17 -0.07 0.10 -0.04 3.95 4.11 2rhiA1 SER 508 HB3 0.12 0.04 0.12 -0.04 3.93 4.17 2rhiA1 LYS 509 H -0.03 0.54 -0.10 -0.55 8.42 8.28 2rhiA1 LYS 509 HA -0.06 0.02 0.45 -0.75 4.32 3.97 2rhiA1 LYS 509 HB2 -0.17 0.10 0.09 -0.04 1.87 1.84 2rhiA1 LYS 509 HB3 -0.12 -0.02 0.04 -0.04 1.79 1.65 2rhiA1 LYS 509 HG2 -0.02 -0.06 0.02 -0.04 1.46 1.35 2rhiA1 LYS 509 HG3 -0.00 0.04 0.10 -0.04 1.46 1.55 2rhiA1 LYS 509 HD2 -0.04 0.05 -0.13 -0.04 1.69 1.53 2rhiA1 LYS 509 HD3 -0.05 -0.04 -0.03 -0.04 1.68 1.52 2rhiA1 LYS 509 HE2 -0.00 -0.04 -0.00 -0.04 2.99 2.91 2rhiA1 LYS 509 HE3 0.01 -0.06 0.01 -0.04 2.99 2.92 2rhiA1 THR 510 H -0.30 0.33 -0.24 -0.55 8.28 7.53 2rhiA1 THR 510 HA -0.27 0.26 0.84 -0.75 4.39 4.47 2rhiA1 THR 510 HB -0.47 -0.17 0.15 -0.04 4.32 3.79 2rhiA1 THR 510 HG23 -1.15 0.04 0.06 -0.04 1.22 0.13 2rhiA1 GLY 511 H -0.10 0.35 -0.15 -0.55 8.43 7.98 2rhiA1 GLY 511 HA2 -0.03 0.03 0.29 -0.51 4.01 3.78 2rhiA1 GLY 511 HA3 -0.04 0.07 0.63 -0.51 4.01 4.16 2rhiA1 HIS 512 H 0.01 0.46 0.11 -0.55 8.41 8.44 2rhiA1 HIS 512 HA -0.03 0.16 0.72 -0.75 4.63 4.73 2rhiA1 HIS 512 HB2 -0.09 -0.09 -0.09 -0.04 3.26 2.95 2rhiA1 HIS 512 HB3 -0.01 -0.12 0.01 -0.04 3.20 3.04 2rhiA1 HIS 512 HD2 0.05 0.08 -0.10 -0.04 6.97 6.96 2rhiA1 HIS 512 HE1 -0.21 0.09 0.04 -0.04 7.75 7.63 2rhiA1 PRO 513 HA 0.01 0.03 0.43 -0.51 4.44 4.40 2rhiA1 PRO 513 HB2 -0.06 0.00 -0.01 -0.04 2.28 2.17 2rhiA1 PRO 513 HB3 -0.05 0.02 0.04 -0.04 2.02 1.99 2rhiA1 PRO 513 HG2 -0.13 0.03 0.06 -0.04 2.03 1.94 2rhiA1 PRO 513 HG3 -0.08 0.05 0.03 -0.04 2.03 1.99 2rhiA1 PRO 513 HD2 -0.60 0.11 0.18 -0.04 3.68 3.34 2rhiA1 PRO 513 HD3 -0.25 0.21 0.22 -0.04 3.65 3.79 2rhiA1 LEU 514 H -0.02 0.17 0.14 -0.55 8.37 8.12 2rhiA1 LEU 514 HA -0.01 0.26 0.88 -0.75 4.35 4.72 2rhiA1 LEU 514 HB2 0.07 -0.06 -0.09 -0.04 1.64 1.52 2rhiA1 LEU 514 HB3 -0.08 -0.03 0.05 -0.04 1.64 1.54 2rhiA1 LEU 514 HG -0.43 0.12 -0.44 -0.04 1.64 0.85 2rhiA1 LEU 514 HD13 0.04 0.02 -0.26 -0.04 0.93 0.69 2rhiA1 LEU 514 HD23 -0.09 -0.05 -0.12 -0.04 0.89 0.59 2rhiA1 GLN 515 H -0.16 0.72 0.35 -0.55 8.47 8.83 2rhiA1 GLN 515 HA -0.22 0.11 0.66 -0.75 4.36 4.16 2rhiA1 GLN 515 HB2 -0.21 -0.10 0.14 -0.04 2.15 1.93 2rhiA1 GLN 515 HB3 -0.13 0.08 0.03 -0.04 2.02 1.96 2rhiA1 GLN 515 HG2 -0.15 0.09 0.03 -0.04 2.40 2.33 2rhiA1 GLN 515 HG3 -0.18 -0.06 -0.06 -0.04 2.39 2.05 2rhiA1 GLN 515 HE21 -0.08 -0.01 -0.13 -0.04 6.97 6.71 2rhiA1 GLN 515 HE22 -0.09 0.02 -0.19 -0.04 7.69 7.39 2rhiA1 PRO 516 HA -1.24 0.02 0.51 -0.51 4.44 3.22 2rhiA1 PRO 516 HB2 -0.65 0.08 0.07 -0.04 2.28 1.74 2rhiA1 PRO 516 HB3 -1.31 -0.05 0.09 -0.04 2.02 0.71 2rhiA1 PRO 516 HG2 -0.26 0.10 -0.04 -0.04 2.03 1.79 2rhiA1 PRO 516 HG3 -0.26 -0.01 0.07 -0.04 2.03 1.78 2rhiA1 PRO 516 HD2 -0.23 0.04 0.24 -0.04 3.68 3.69 2rhiA1 PRO 516 HD3 -0.35 0.23 0.28 -0.04 3.65 3.76 2rhiA1 PRO 517 HA -0.06 0.22 0.41 -0.51 4.44 4.50 2rhiA1 PRO 517 HB2 -0.02 0.01 -0.09 -0.04 2.28 2.13 2rhiA1 PRO 517 HB3 0.02 -0.02 -0.18 -0.04 2.02 1.81 2rhiA1 PRO 517 HG2 -0.29 0.01 0.03 -0.04 2.03 1.73 2rhiA1 PRO 517 HG3 -0.25 0.01 0.06 -0.04 2.03 1.81 2rhiA1 PRO 517 HD2 -0.31 0.08 0.15 -0.04 3.68 3.56 2rhiA1 PRO 517 HD3 -0.94 0.05 0.21 -0.04 3.65 2.92 2rhiA1 LEU 518 H -0.25 0.29 0.23 -0.55 8.37 8.10 2rhiA1 LEU 518 HA -0.37 0.02 0.46 -0.75 4.35 3.70 2rhiA1 LEU 518 HB2 -1.95 -0.02 0.01 -0.04 1.64 -0.36 2rhiA1 LEU 518 HB3 -0.83 0.00 -0.14 -0.04 1.64 0.63 2rhiA1 LEU 518 HG -0.53 0.16 -0.14 -0.04 1.64 1.08 2rhiA1 LEU 518 HD13 -0.76 -0.04 0.01 -0.04 0.93 0.11 2rhiA1 LEU 518 HD23 -1.28 0.06 -0.20 -0.04 0.89 -0.58 2rhiA1 GLY 519 H -0.23 0.05 0.14 -0.55 8.43 7.84 2rhiA1 GLY 519 HA2 -0.08 0.09 0.37 -0.51 4.01 3.87 2rhiA1 GLY 519 HA3 -0.11 -0.00 0.31 -0.51 4.01 3.70 2rhiA1 PRO 520 HA -0.05 0.05 0.49 -0.51 4.44 4.41 2rhiA1 PRO 520 HB2 -0.02 0.01 -0.01 -0.04 2.28 2.23 2rhiA1 PRO 520 HB3 -0.01 0.03 0.11 -0.04 2.02 2.11 2rhiA1 PRO 520 HG2 -0.03 0.02 0.08 -0.04 2.03 2.06 2rhiA1 PRO 520 HG3 -0.01 0.04 0.07 -0.04 2.03 2.08 2rhiA1 PRO 520 HD2 -0.04 0.06 0.20 -0.04 3.68 3.87 2rhiA1 PRO 520 HD3 -0.02 0.16 0.18 -0.04 3.65 3.92 2rhiA1 ARG 521 H -0.04 0.11 0.10 -0.55 8.46 8.07 2rhiA1 ARG 521 HA -0.03 -0.01 0.28 -0.75 4.34 3.82 2rhiA1 ARG 521 HB2 -0.03 0.21 -0.11 -0.04 1.90 1.94 2rhiA1 ARG 521 HB3 -0.02 -0.03 0.14 -0.04 1.80 1.85 2rhiA1 ARG 521 HG2 -0.01 -0.01 -0.01 -0.04 1.67 1.60 2rhiA1 ARG 521 HG3 -0.02 -0.09 -0.22 -0.04 1.67 1.31 2rhiA1 ARG 521 HD2 -0.01 -0.01 -0.03 -0.04 3.22 3.13 2rhiA1 ARG 521 HD3 -0.01 -0.02 -0.05 -0.04 3.22 3.10 2rhiA1 GLU 522 H -0.11 0.22 -0.51 -0.55 8.60 7.66 2rhiA1 GLU 522 HA -0.07 0.09 0.50 -0.75 4.29 4.05 2rhiA1 GLU 522 HB2 -0.23 0.10 -0.04 -0.04 2.09 1.88 2rhiA1 GLU 522 HB3 -0.17 0.04 0.07 -0.04 1.99 1.90 2rhiA1 GLU 522 HG2 -0.09 0.00 -0.10 -0.04 2.34 2.11 2rhiA1 GLU 522 HG3 -0.13 0.01 -0.20 -0.04 2.34 1.97 2rhiA1 PRO 523 HA -0.00 0.03 0.49 -0.51 4.44 4.44 2rhiA1 PRO 523 HB2 0.01 0.03 0.02 -0.04 2.28 2.30 2rhiA1 PRO 523 HB3 0.02 0.00 0.10 -0.04 2.02 2.11 2rhiA1 PRO 523 HG2 -0.01 0.03 0.08 -0.04 2.03 2.09 2rhiA1 PRO 523 HG3 -0.01 0.05 0.08 -0.04 2.03 2.11 2rhiA1 PRO 523 HD2 -0.07 0.09 0.18 -0.04 3.68 3.85 2rhiA1 PRO 523 HD3 -0.05 0.14 0.20 -0.04 3.65 3.91 2rhiA1 SER 524 H 0.06 0.11 0.18 -0.55 8.46 8.26 2rhiA1 SER 524 HA 0.19 -0.02 0.36 -0.75 4.49 4.26 2rhiA1 SER 524 HB2 0.25 0.22 0.10 -0.04 3.95 4.47 2rhiA1 SER 524 HB3 0.74 -0.06 0.17 -0.04 3.93 4.74 2rhiA1 SER 525 H -0.02 0.22 -0.35 -0.55 8.46 7.76 2rhiA1 SER 525 HA -0.08 0.20 0.90 -0.75 4.49 4.76 2rhiA1 SER 525 HB2 -0.13 0.10 0.11 -0.04 3.95 3.99 2rhiA1 SER 525 HB3 -0.22 0.04 -0.11 -0.04 3.93 3.60 2rhiA1 ALA 526 H -0.01 0.63 0.01 -0.55 8.40 8.49 2rhiA1 ALA 526 HA 0.05 0.10 0.67 -0.75 4.34 4.39 2rhiA1 ALA 526 HB3 0.05 -0.01 -0.24 -0.04 1.41 1.17 2rhiA1 VAL 527 H 0.04 0.18 0.01 -0.55 8.24 7.92 2rhiA1 VAL 527 HA 0.03 0.09 0.55 -0.75 4.13 4.03 2rhiA1 VAL 527 HB 0.03 0.01 0.20 -0.04 2.12 2.33 2rhiA1 VAL 527 HG13 0.02 0.01 0.04 -0.04 0.97 1.00 2rhiA1 VAL 527 HG23 0.01 0.00 0.02 -0.04 0.95 0.94 2rhiA1 ASP 528 H 0.07 0.47 -0.11 -0.55 8.40 8.28 2rhiA1 ASP 528 HA 0.08 0.27 0.72 -0.75 4.63 4.95 2rhiA1 ASP 528 HB2 0.12 0.04 -0.01 -0.04 2.71 2.82 2rhiA1 ASP 528 HB3 0.09 -0.01 -0.19 -0.04 2.70 2.55