============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. PHE 3 1.000 21.162 23.719 10.840 -99.200 -91.000 TYR 18 0.840 20.221 42.030 16.207 -99.200 -91.000 TYR 19 0.840 25.803 40.863 22.693 -99.200 -91.000 PHE 42 1.000 37.320 36.410 16.248 -99.200 -91.000 HIS 49 0.900 37.839 51.547 26.023 -99.200 -91.000 PHE 51 1.000 33.232 53.972 26.903 -99.200 -91.000 HIS 53 0.900 30.340 45.095 30.277 -99.200 -91.000 TYR 55 0.840 41.872 42.885 29.268 -99.200 -91.000 TYR 56 0.840 43.011 36.605 22.603 -99.200 -91.000 TYR 64 0.840 49.158 35.643 20.802 -99.200 -91.000 TYR 72 0.840 45.890 54.107 12.864 -99.200 -91.000 TYR 75 0.840 33.744 53.027 13.118 -99.200 -91.000 TRP 80 1.040 39.643 48.637 14.833 -99.200 -91.000 TRP6 80 1.020 41.087 46.816 14.444 -99.200 -91.000 HIS 93 0.900 24.847 28.921 23.726 -99.200 -91.000 PHE 112 1.000 36.045 49.524 17.171 -99.200 -91.000 PHE 113 1.000 36.569 47.976 22.098 -99.200 -91.000 TRP 119 1.040 29.166 45.230 20.474 -99.200 -91.000 TRP6 119 1.020 31.112 46.247 19.603 -99.200 -91.000 TYR 127 0.840 32.257 36.803 0.141 -99.200 -91.000 PHE 140 1.000 35.236 32.229 12.931 -99.200 -91.000 PHE 141 1.000 30.876 30.996 7.309 -99.200 -91.000 HIS 149 0.900 34.387 17.244 6.767 -99.200 -91.000 PHE 154 1.000 26.866 34.582 7.339 -99.200 -91.000 HIS 174 0.900 12.046 24.729 5.944 -99.200 -91.000 TYR 177 0.840 12.377 29.837 5.647 -99.200 -91.000 TRP 182 1.040 10.724 34.453 -3.617 -99.200 -91.000 TRP6 182 1.020 10.365 34.148 -5.923 -99.200 -91.000 TYR 183 0.840 18.495 31.256 -1.840 -99.200 -91.000 TRP 190 1.040 32.723 44.200 -3.112 -99.200 -91.000 TRP6 190 1.020 33.217 46.508 -3.148 -99.200 -91.000 TYR 191 0.840 31.932 46.699 1.546 -99.200 -91.000 TYR 192 0.840 28.350 38.355 2.803 -99.200 -91.000 TYR 213 0.840 15.978 52.614 -7.371 -99.200 -91.000 TYR 215 0.840 26.576 57.293 -7.457 -99.200 -91.000 PHE 234 1.000 17.373 60.506 3.546 -99.200 -91.000 PHE 250 1.000 5.223 62.354 11.705 -99.200 -91.000 PHE 254 1.000 10.051 60.980 12.083 -99.200 -91.000 TRP 255 1.040 10.074 63.703 7.837 -99.200 -91.000 TRP6 255 1.020 9.108 61.572 7.533 -99.200 -91.000 TRP 263 1.040 2.063 59.024 17.359 -99.200 -91.000 TRP6 263 1.020 3.970 58.480 16.080 -99.200 -91.000 TRP 270 1.040 2.491 50.469 14.646 -99.200 -91.000 TRP6 270 1.020 4.796 50.970 14.684 -99.200 -91.000 PHE 273 1.000 4.748 57.011 10.230 -99.200 -91.000 TYR 279 0.840 9.408 45.206 -7.030 -99.200 -91.000 PHE 289 1.000 14.323 38.283 -4.302 -99.200 -91.000 TYR 298 0.840 9.420 53.029 7.544 -99.200 -91.000 TYR 308 0.840 7.741 54.015 17.795 -99.200 -91.000 PHE 310 1.000 12.770 58.178 8.027 -99.200 -91.000 PHE 329 1.000 12.469 41.271 4.472 -99.200 -91.000 TYR 330 0.840 16.597 32.032 8.246 -99.200 -91.000 PHE 333 1.000 24.186 37.434 5.064 -99.200 -91.000 PHE 342 1.000 17.266 39.589 1.214 -99.200 -91.000 HIS 348 0.900 7.409 40.124 10.028 -99.200 -91.000 HIS 350 0.900 3.062 40.584 12.188 -99.200 -91.000 PHE 353 1.000 -5.969 46.081 11.150 -99.200 -91.000 PHE 362 1.000 6.899 41.001 -8.155 -99.200 -91.000 TYR 372 0.840 28.459 53.793 -10.166 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h0bB1 GLY 445 HA2 0.24 0.00 0.29 -0.51 4.01 4.04 3h0bB1 GLY 445 HA3 0.03 -0.02 0.17 -0.51 4.01 3.68 3h0bB1 SER 446 H -0.30 0.27 0.04 -0.55 8.46 7.93 3h0bB1 SER 446 HA 0.06 0.06 1.00 -0.75 4.49 4.86 3h0bB1 SER 446 HB2 -0.05 0.03 -0.12 -0.04 3.95 3.77 3h0bB1 SER 446 HB3 -0.11 0.03 0.15 -0.04 3.93 3.96 3h0bB1 PHE 447 H 0.31 0.17 -0.07 -0.55 8.34 8.19 3h0bB1 PHE 447 HA 0.04 0.23 0.83 -0.75 4.62 4.97 3h0bB1 PHE 447 HB2 0.07 -0.03 0.02 -0.04 3.15 3.17 3h0bB1 PHE 447 HB3 0.06 0.03 0.03 -0.04 3.06 3.15 3h0bB1 PHE 447 HD2 0.08 -0.02 -0.28 -0.04 7.28 7.01 3h0bB1 PHE 447 HE2 0.09 0.17 -0.23 -0.04 7.38 7.37 3h0bB1 PHE 447 HZ 0.08 0.07 -0.07 -0.04 7.32 7.35 3h0bB1 VAL 448 H 0.03 0.31 -0.16 -0.55 8.24 7.86 3h0bB1 VAL 448 HA 0.06 0.05 0.21 -0.75 4.13 3.69 3h0bB1 VAL 448 HB 0.02 0.09 -0.03 -0.04 2.12 2.16 3h0bB1 VAL 448 HG13 0.01 -0.00 -0.02 -0.04 0.97 0.91 3h0bB1 VAL 448 HG23 0.00 0.02 0.01 -0.04 0.95 0.95 3h0bB1 GLU 1 H 0.09 0.04 -0.25 -0.55 8.60 7.93 3h0bB1 GLU 1 HA 0.09 0.13 0.48 -0.75 4.29 4.24 3h0bB1 GLU 1 HB2 0.10 -0.08 0.01 -0.04 2.09 2.08 3h0bB1 GLU 1 HB3 0.11 0.14 -0.03 -0.04 1.99 2.18 3h0bB1 GLU 1 HG2 0.06 0.04 0.02 -0.04 2.34 2.43 3h0bB1 GLU 1 HG3 0.08 0.04 0.04 -0.04 2.34 2.46 3h0bB1 MET 2 H 0.14 0.24 -0.33 -0.55 8.47 7.97 3h0bB1 MET 2 HA 0.11 0.41 0.75 -0.75 4.52 5.04 3h0bB1 MET 2 HB2 0.15 -0.07 0.04 -0.04 2.15 2.24 3h0bB1 MET 2 HB3 0.08 0.06 0.13 -0.04 2.03 2.26 3h0bB1 MET 2 HG2 0.09 0.32 0.13 -0.04 2.63 3.14 3h0bB1 MET 2 HG3 0.13 -0.03 -0.38 -0.04 2.56 2.24 3h0bB1 MET 2 HE3 0.21 -0.02 -0.10 -0.04 2.10 2.16 3h0bB1 VAL 3 H 0.08 0.17 -0.17 -0.55 8.24 7.77 3h0bB1 VAL 3 HA 0.04 -0.11 0.44 -0.75 4.13 3.74 3h0bB1 VAL 3 HB 0.04 0.12 0.09 -0.04 2.12 2.33 3h0bB1 VAL 3 HG13 0.00 -0.00 -0.20 -0.04 0.97 0.73 3h0bB1 VAL 3 HG23 0.06 0.00 -0.11 -0.04 0.95 0.86 3h0bB1 ASP 4 H 0.01 -0.01 0.20 -0.55 8.40 8.06 3h0bB1 ASP 4 HA -0.01 0.06 0.34 -0.75 4.63 4.27 3h0bB1 ASP 4 HB2 -0.01 -0.12 -0.30 -0.04 2.71 2.23 3h0bB1 ASP 4 HB3 -0.04 0.25 0.18 -0.04 2.70 3.05 3h0bB1 ASN 5 H 0.00 0.14 0.06 -0.55 8.53 8.20 3h0bB1 ASN 5 HA -0.07 0.14 0.61 -0.75 4.76 4.69 3h0bB1 ASN 5 HB2 0.09 -0.13 0.30 -0.04 2.88 3.09 3h0bB1 ASN 5 HB3 0.05 0.13 0.15 -0.04 2.79 3.08 3h0bB1 ASN 5 HD21 0.04 0.15 0.32 -0.04 7.03 7.50 3h0bB1 ASN 5 HD22 0.08 0.58 0.36 -0.04 7.74 8.72 3h0bB1 LEU 6 H -0.01 0.41 -0.12 -0.55 8.37 8.11 3h0bB1 LEU 6 HA -0.05 0.33 1.02 -0.75 4.35 4.91 3h0bB1 LEU 6 HB2 0.02 -0.08 -0.20 -0.04 1.64 1.34 3h0bB1 LEU 6 HB3 0.07 0.02 -0.13 -0.04 1.64 1.56 3h0bB1 LEU 6 HG -0.01 -0.21 -0.40 -0.04 1.64 0.98 3h0bB1 LEU 6 HD13 -0.09 -0.01 -0.35 -0.04 0.93 0.43 3h0bB1 LEU 6 HD23 -0.01 0.03 -0.32 -0.04 0.89 0.55 3h0bB1 ARG 7 H -0.39 0.49 0.37 -0.55 8.46 8.38 3h0bB1 ARG 7 HA -0.14 0.32 0.82 -0.75 4.34 4.59 3h0bB1 ARG 7 HB2 -0.58 -0.06 0.03 -0.04 1.90 1.25 3h0bB1 ARG 7 HB3 -0.20 -0.02 0.18 -0.04 1.80 1.71 3h0bB1 ARG 7 HG2 -0.07 0.04 -0.37 -0.04 1.67 1.22 3h0bB1 ARG 7 HG3 0.00 -0.07 -0.04 -0.04 1.67 1.52 3h0bB1 ARG 7 HD2 -0.01 -0.08 0.03 -0.04 3.22 3.12 3h0bB1 ARG 7 HD3 -0.04 0.09 0.16 -0.04 3.22 3.39 3h0bB1 GLY 8 H -0.17 0.43 0.24 -0.55 8.43 8.38 3h0bB1 GLY 8 HA2 0.04 0.04 0.36 -0.51 4.01 3.94 3h0bB1 GLY 8 HA3 -0.30 0.14 0.47 -0.51 4.01 3.82 3h0bB1 LYS 9 H 0.12 0.27 0.14 -0.55 8.42 8.39 3h0bB1 LYS 9 HA -0.00 0.14 0.92 -0.75 4.32 4.62 3h0bB1 LYS 9 HB2 0.06 -0.02 0.15 -0.04 1.87 2.02 3h0bB1 LYS 9 HB3 0.01 0.06 0.06 -0.04 1.79 1.88 3h0bB1 LYS 9 HG2 0.08 -0.05 -0.06 -0.04 1.46 1.38 3h0bB1 LYS 9 HG3 0.06 0.15 0.08 -0.04 1.46 1.71 3h0bB1 LYS 9 HD2 0.01 -0.01 0.09 -0.04 1.69 1.74 3h0bB1 LYS 9 HD3 0.02 -0.02 0.04 -0.04 1.68 1.68 3h0bB1 LYS 9 HE2 -0.02 -0.02 0.02 -0.04 2.99 2.93 3h0bB1 LYS 9 HE3 -0.01 -0.07 0.03 -0.04 2.99 2.90 3h0bB1 SER 10 H -0.03 0.22 0.11 -0.55 8.46 8.23 3h0bB1 SER 10 HA -0.06 -0.04 0.33 -0.75 4.49 3.97 3h0bB1 SER 10 HB2 -0.01 0.07 0.10 -0.04 3.95 4.08 3h0bB1 SER 10 HB3 0.00 0.01 0.08 -0.04 3.93 3.99 3h0bB1 GLY 11 H -0.01 0.09 0.16 -0.55 8.43 8.12 3h0bB1 GLY 11 HA2 0.03 -0.07 0.36 -0.51 4.01 3.82 3h0bB1 GLY 11 HA3 0.02 0.14 0.38 -0.51 4.01 4.04 3h0bB1 GLN 12 H 0.02 0.53 -0.31 -0.55 8.47 8.17 3h0bB1 GLN 12 HA 0.14 0.17 0.97 -0.75 4.36 4.89 3h0bB1 GLN 12 HB2 0.12 0.10 0.06 -0.04 2.15 2.38 3h0bB1 GLN 12 HB3 0.25 -0.10 0.18 -0.04 2.02 2.31 3h0bB1 GLN 12 HG2 0.05 -0.04 -0.09 -0.04 2.40 2.28 3h0bB1 GLN 12 HG3 0.04 0.08 -0.36 -0.04 2.39 2.11 3h0bB1 GLN 12 HE21 -0.06 0.05 -0.08 -0.04 6.97 6.84 3h0bB1 GLN 12 HE22 -0.03 -0.01 -0.07 -0.04 7.69 7.54 3h0bB1 GLY 13 H 0.01 -0.05 -0.11 -0.55 8.43 7.74 3h0bB1 GLY 13 HA2 0.06 0.01 0.29 -0.51 4.01 3.86 3h0bB1 GLY 13 HA3 -0.00 0.10 0.37 -0.51 4.01 3.97 3h0bB1 TYR 14 H 0.24 0.14 0.17 -0.55 8.29 8.29 3h0bB1 TYR 14 HA -0.09 0.40 0.95 -0.75 4.56 5.07 3h0bB1 TYR 14 HB2 -0.06 -0.08 0.07 -0.04 3.06 2.95 3h0bB1 TYR 14 HB3 -0.10 0.04 -0.07 -0.04 2.98 2.81 3h0bB1 TYR 14 HD2 -0.05 -0.02 -0.21 -0.04 7.15 6.83 3h0bB1 TYR 14 HE2 -0.00 0.16 -0.09 -0.04 6.85 6.88 3h0bB1 TYR 15 H -0.39 0.75 0.35 -0.55 8.29 8.45 3h0bB1 TYR 15 HA -0.05 0.14 1.05 -0.75 4.56 4.95 3h0bB1 TYR 15 HB2 0.07 -0.06 -0.44 -0.04 3.06 2.58 3h0bB1 TYR 15 HB3 -0.00 -0.05 -0.40 -0.04 2.98 2.49 3h0bB1 TYR 15 HD2 0.18 0.02 -0.31 -0.04 7.15 7.00 3h0bB1 TYR 15 HE2 0.10 -0.00 -0.12 -0.04 6.85 6.79 3h0bB1 VAL 16 H 0.10 0.68 0.33 -0.55 8.24 8.80 3h0bB1 VAL 16 HA 0.08 0.38 1.02 -0.75 4.13 4.85 3h0bB1 VAL 16 HB -0.01 -0.07 -0.03 -0.04 2.12 1.97 3h0bB1 VAL 16 HG13 -0.05 0.01 -0.16 -0.04 0.97 0.74 3h0bB1 VAL 16 HG23 0.04 0.08 0.07 -0.04 0.95 1.09 3h0bB1 GLU 17 H 0.13 0.25 0.23 -0.55 8.60 8.67 3h0bB1 GLU 17 HA 0.11 0.17 0.93 -0.75 4.29 4.75 3h0bB1 GLU 17 HB2 0.16 0.01 0.08 -0.04 2.09 2.30 3h0bB1 GLU 17 HB3 0.17 -0.03 0.19 -0.04 1.99 2.28 3h0bB1 GLU 17 HG2 0.04 -0.01 -0.24 -0.04 2.34 2.09 3h0bB1 GLU 17 HG3 0.07 0.02 0.01 -0.04 2.34 2.39 3h0bB1 MET 18 H 0.04 0.75 0.49 -0.55 8.47 9.20 3h0bB1 MET 18 HA -0.02 0.22 1.01 -0.75 4.52 4.97 3h0bB1 MET 18 HB2 0.03 -0.07 -0.04 -0.04 2.15 2.02 3h0bB1 MET 18 HB3 -0.06 0.07 0.15 -0.04 2.03 2.14 3h0bB1 MET 18 HG2 -0.11 0.08 -0.21 -0.04 2.63 2.34 3h0bB1 MET 18 HG3 -0.03 -0.02 -0.47 -0.04 2.56 2.00 3h0bB1 MET 18 HE3 -0.89 0.01 -0.14 -0.04 2.10 1.05 3h0bB1 THR 19 H -0.01 0.56 0.37 -0.55 8.28 8.65 3h0bB1 THR 19 HA -0.00 0.40 0.84 -0.75 4.39 4.87 3h0bB1 THR 19 HB -0.00 -0.05 -0.21 -0.04 4.32 4.01 3h0bB1 THR 19 HG23 -0.01 0.02 -0.32 -0.04 1.22 0.87 3h0bB1 VAL 20 H -0.03 0.50 0.32 -0.55 8.24 8.48 3h0bB1 VAL 20 HA -0.03 0.34 1.07 -0.75 4.13 4.76 3h0bB1 VAL 20 HB -0.49 -0.04 -0.04 -0.04 2.12 1.50 3h0bB1 VAL 20 HG13 -0.44 -0.01 -0.14 -0.04 0.97 0.34 3h0bB1 VAL 20 HG23 -0.12 0.02 -0.30 -0.04 0.95 0.51 3h0bB1 GLY 21 H 0.03 0.49 0.19 -0.55 8.43 8.59 3h0bB1 GLY 21 HA2 0.13 -0.13 0.31 -0.51 4.01 3.80 3h0bB1 GLY 21 HA3 0.16 0.14 0.35 -0.51 4.01 4.14 3h0bB1 SER 22 H 0.09 0.02 0.14 -0.55 8.46 8.16 3h0bB1 SER 22 HA 0.04 0.07 0.56 -0.75 4.49 4.40 3h0bB1 SER 22 HB2 0.04 -0.08 0.10 -0.04 3.95 3.97 3h0bB1 SER 22 HB3 0.03 0.07 0.01 -0.04 3.93 4.00 3h0bB1 PRO 23 HA 0.02 0.05 0.36 -0.51 4.44 4.36 3h0bB1 PRO 23 HB2 0.01 0.13 -0.02 -0.04 2.28 2.36 3h0bB1 PRO 23 HB3 0.01 -0.03 0.11 -0.04 2.02 2.08 3h0bB1 PRO 23 HG2 0.02 0.06 0.01 -0.04 2.03 2.07 3h0bB1 PRO 23 HG3 0.01 -0.01 0.09 -0.04 2.03 2.09 3h0bB1 PRO 23 HD2 0.03 0.35 0.45 -0.04 3.68 4.46 3h0bB1 PRO 23 HD3 0.02 0.02 0.29 -0.04 3.65 3.94 3h0bB1 PRO 24 HA 0.02 0.28 0.16 -0.51 4.44 4.40 3h0bB1 PRO 24 HB2 0.00 -0.02 -0.16 -0.04 2.28 2.07 3h0bB1 PRO 24 HB3 0.01 0.03 -0.04 -0.04 2.02 1.97 3h0bB1 PRO 24 HG2 0.00 0.01 0.04 -0.04 2.03 2.05 3h0bB1 PRO 24 HG3 0.00 0.03 0.01 -0.04 2.03 2.03 3h0bB1 PRO 24 HD2 0.01 0.05 0.18 -0.04 3.68 3.88 3h0bB1 PRO 24 HD3 0.01 0.11 0.15 -0.04 3.65 3.88 3h0bB1 GLN 25 H 0.02 0.40 0.23 -0.55 8.47 8.57 3h0bB1 GLN 25 HA 0.01 0.13 0.90 -0.75 4.36 4.64 3h0bB1 GLN 25 HB2 0.05 -0.09 0.15 -0.04 2.15 2.22 3h0bB1 GLN 25 HB3 0.02 0.00 0.03 -0.04 2.02 2.03 3h0bB1 GLN 25 HG2 0.03 0.03 -0.11 -0.04 2.40 2.30 3h0bB1 GLN 25 HG3 0.07 0.22 -0.08 -0.04 2.39 2.56 3h0bB1 GLN 25 HE21 0.08 0.18 -0.10 -0.04 6.97 7.10 3h0bB1 GLN 25 HE22 0.10 0.12 -0.22 -0.04 7.69 7.65 3h0bB1 THR 26 H 0.00 0.14 0.09 -0.55 8.28 7.97 3h0bB1 THR 26 HA 0.01 0.25 0.62 -0.75 4.39 4.51 3h0bB1 THR 26 HB 0.01 -0.03 0.07 -0.04 4.32 4.32 3h0bB1 THR 26 HG23 0.03 0.00 -0.09 -0.04 1.22 1.12 3h0bB1 LEU 27 H 0.02 0.77 0.42 -0.55 8.37 9.03 3h0bB1 LEU 27 HA 0.02 0.10 0.58 -0.75 4.35 4.30 3h0bB1 LEU 27 HB2 0.02 -0.02 -0.16 -0.04 1.64 1.45 3h0bB1 LEU 27 HB3 0.04 -0.07 -0.11 -0.04 1.64 1.46 3h0bB1 LEU 27 HG 0.01 0.07 -0.72 -0.04 1.64 0.96 3h0bB1 LEU 27 HD13 0.00 -0.03 -0.23 -0.04 0.93 0.64 3h0bB1 LEU 27 HD23 0.02 0.03 -0.18 -0.04 0.89 0.71 3h0bB1 ASN 28 H 0.02 0.15 0.13 -0.55 8.53 8.29 3h0bB1 ASN 28 HA 0.12 0.27 0.97 -0.75 4.76 5.35 3h0bB1 ASN 28 HB2 -0.16 0.08 0.34 -0.04 2.88 3.10 3h0bB1 ASN 28 HB3 -0.35 0.01 -0.02 -0.04 2.79 2.38 3h0bB1 ASN 28 HD21 0.07 -0.04 -0.03 -0.04 7.03 6.99 3h0bB1 ASN 28 HD22 -0.19 0.38 0.11 -0.04 7.74 8.00 3h0bB1 ILE 29 H 0.12 0.98 0.32 -0.55 8.25 9.12 3h0bB1 ILE 29 HA 0.08 0.06 0.84 -0.75 4.18 4.41 3h0bB1 ILE 29 HB 0.01 0.05 -0.00 -0.04 1.89 1.90 3h0bB1 ILE 29 HG12 0.08 0.07 -0.32 -0.04 1.49 1.28 3h0bB1 ILE 29 HG13 0.24 0.02 -0.24 -0.04 1.21 1.19 3h0bB1 ILE 29 HG23 0.04 0.01 -0.46 -0.04 0.93 0.47 3h0bB1 ILE 29 HD13 0.08 0.01 -0.38 -0.04 0.88 0.55 3h0bB1 LEU 30 H -0.29 0.59 0.29 -0.55 8.37 8.42 3h0bB1 LEU 30 HA -0.20 0.20 0.54 -0.75 4.35 4.14 3h0bB1 LEU 30 HB2 -1.77 0.06 0.10 -0.04 1.64 -0.02 3h0bB1 LEU 30 HB3 -0.86 -0.09 0.21 -0.04 1.64 0.85 3h0bB1 LEU 30 HG -0.32 0.08 -0.16 -0.04 1.64 1.20 3h0bB1 LEU 30 HD13 -0.54 -0.00 -0.08 -0.04 0.93 0.26 3h0bB1 LEU 30 HD23 -0.46 -0.05 -0.18 -0.04 0.89 0.16 3h0bB1 VAL 31 H -0.10 0.87 0.40 -0.55 8.24 8.86 3h0bB1 VAL 31 HA -0.17 0.12 0.75 -0.75 4.13 4.08 3h0bB1 VAL 31 HB -0.07 0.04 0.15 -0.04 2.12 2.19 3h0bB1 VAL 31 HG13 -0.20 -0.03 -0.16 -0.04 0.97 0.54 3h0bB1 VAL 31 HG23 -0.09 0.01 -0.08 -0.04 0.95 0.76 3h0bB1 ASP 32 H -0.16 0.76 0.21 -0.55 8.40 8.67 3h0bB1 ASP 32 HA -0.08 0.09 0.76 -0.75 4.63 4.64 3h0bB1 ASP 32 HB2 -0.17 0.11 -0.24 -0.04 2.71 2.36 3h0bB1 ASP 32 HB3 -0.10 0.04 -0.02 -0.04 2.70 2.58 3h0bB1 THR 33 H -0.03 0.11 0.19 -0.55 8.28 8.00 3h0bB1 THR 33 HA 0.04 0.11 0.71 -0.75 4.39 4.50 3h0bB1 THR 33 HB 0.10 0.10 0.17 -0.04 4.32 4.65 3h0bB1 THR 33 HG23 -0.46 0.03 -0.05 -0.04 1.22 0.71 3h0bB1 GLY 34 H 0.04 -0.04 -0.44 -0.55 8.43 7.44 3h0bB1 GLY 34 HA2 0.19 0.20 0.75 -0.51 4.01 4.64 3h0bB1 GLY 34 HA3 0.10 -0.02 0.21 -0.51 4.01 3.80 3h0bB1 SER 35 H 0.01 0.21 -0.12 -0.55 8.46 8.02 3h0bB1 SER 35 HA -0.01 0.28 0.59 -0.75 4.49 4.60 3h0bB1 SER 35 HB2 0.04 -0.00 0.11 -0.04 3.95 4.06 3h0bB1 SER 35 HB3 0.03 0.05 -0.18 -0.04 3.93 3.79 3h0bB1 SER 36 H 0.02 0.18 0.02 -0.55 8.46 8.14 3h0bB1 SER 36 HA 0.00 0.20 0.62 -0.75 4.49 4.56 3h0bB1 SER 36 HB2 0.02 -0.03 -0.38 -0.04 3.95 3.52 3h0bB1 SER 36 HB3 0.03 0.03 -0.26 -0.04 3.93 3.69 3h0bB1 ASN 37 H 0.07 0.01 0.06 -0.55 8.53 8.12 3h0bB1 ASN 37 HA 0.13 0.30 1.02 -0.75 4.76 5.46 3h0bB1 ASN 37 HB2 0.15 -0.05 0.04 -0.04 2.88 2.97 3h0bB1 ASN 37 HB3 0.14 0.05 -0.14 -0.04 2.79 2.80 3h0bB1 ASN 37 HD21 0.15 0.67 0.15 -0.04 7.03 7.95 3h0bB1 ASN 37 HD22 0.19 -0.03 -0.02 -0.04 7.74 7.83 3h0bB1 PHE 38 H 0.22 0.28 0.13 -0.55 8.34 8.42 3h0bB1 PHE 38 HA -0.08 0.32 1.06 -0.75 4.62 5.16 3h0bB1 PHE 38 HB2 0.03 -0.10 0.16 -0.04 3.15 3.20 3h0bB1 PHE 38 HB3 0.04 0.24 0.33 -0.04 3.06 3.63 3h0bB1 PHE 38 HD2 -0.07 0.19 0.01 -0.04 7.28 7.37 3h0bB1 PHE 38 HE2 -0.14 -0.01 -0.20 -0.04 7.38 6.98 3h0bB1 PHE 38 HZ -0.19 0.01 -0.20 -0.04 7.32 6.90 3h0bB1 ALA 39 H -0.11 0.57 0.22 -0.55 8.40 8.53 3h0bB1 ALA 39 HA -0.30 0.20 1.03 -0.75 4.34 4.53 3h0bB1 ALA 39 HB3 -0.62 -0.01 -0.05 -0.04 1.41 0.69 3h0bB1 VAL 40 H -0.21 0.64 0.27 -0.55 8.24 8.39 3h0bB1 VAL 40 HA -0.04 0.13 1.08 -0.75 4.13 4.55 3h0bB1 VAL 40 HB -0.07 0.05 -0.06 -0.04 2.12 2.00 3h0bB1 VAL 40 HG13 -0.58 -0.00 -0.43 -0.04 0.97 -0.08 3h0bB1 VAL 40 HG23 -0.04 0.02 -0.22 -0.04 0.95 0.67 3h0bB1 GLY 41 H 0.15 0.84 0.42 -0.55 8.43 9.29 3h0bB1 GLY 41 HA2 0.18 0.00 0.60 -0.51 4.01 4.28 3h0bB1 GLY 41 HA3 -0.03 0.08 0.49 -0.51 4.01 4.04 3h0bB1 ALA 42 H 0.06 0.79 0.41 -0.55 8.40 9.11 3h0bB1 ALA 42 HA 0.18 0.18 0.95 -0.75 4.34 4.90 3h0bB1 ALA 42 HB3 0.02 -0.03 0.02 -0.04 1.41 1.37 3h0bB1 ALA 43 H -0.19 0.23 0.03 -0.55 8.40 7.92 3h0bB1 ALA 43 HA -0.54 0.07 0.44 -0.75 4.34 3.56 3h0bB1 ALA 43 HB3 -0.13 0.02 0.07 -0.04 1.41 1.33 3h0bB1 PRO 44 HA -0.41 0.05 0.40 -0.51 4.44 3.96 3h0bB1 PRO 44 HB2 -0.15 0.00 0.02 -0.04 2.28 2.11 3h0bB1 PRO 44 HB3 -0.08 0.05 0.03 -0.04 2.02 1.98 3h0bB1 PRO 44 HG2 -0.10 0.03 0.06 -0.04 2.03 1.98 3h0bB1 PRO 44 HG3 -0.08 0.05 0.03 -0.04 2.03 1.99 3h0bB1 PRO 44 HD2 -0.28 0.11 0.21 -0.04 3.68 3.67 3h0bB1 PRO 44 HD3 -0.74 0.12 0.09 -0.04 3.65 3.07 3h0bB1 HIS 45 H -0.06 0.35 0.20 -0.55 8.41 8.35 3h0bB1 HIS 45 HA -0.13 0.13 0.51 -0.75 4.63 4.39 3h0bB1 HIS 45 HB2 -0.11 0.18 -0.13 -0.04 3.26 3.16 3h0bB1 HIS 45 HB3 -0.24 -0.04 -0.00 -0.04 3.20 2.88 3h0bB1 HIS 45 HD2 0.11 0.03 0.03 -0.04 6.97 7.10 3h0bB1 HIS 45 HE1 -0.97 0.07 -0.01 -0.04 7.75 6.80 3h0bB1 PRO 46 HA -0.02 0.14 0.37 -0.51 4.44 4.41 3h0bB1 PRO 46 HB2 -0.33 0.02 -0.00 -0.04 2.28 1.93 3h0bB1 PRO 46 HB3 -0.10 0.05 0.10 -0.04 2.02 2.03 3h0bB1 PRO 46 HG2 -0.51 0.05 0.09 -0.04 2.03 1.62 3h0bB1 PRO 46 HG3 -0.27 0.06 0.08 -0.04 2.03 1.87 3h0bB1 PRO 46 HD2 -1.85 0.07 0.19 -0.04 3.68 2.05 3h0bB1 PRO 46 HD3 -0.62 0.18 0.22 -0.04 3.65 3.39 3h0bB1 PHE 47 H 0.66 0.08 -0.24 -0.55 8.34 8.29 3h0bB1 PHE 47 HA -0.10 0.12 0.63 -0.75 4.62 4.51 3h0bB1 PHE 47 HB2 -0.13 -0.04 -0.13 -0.04 3.15 2.81 3h0bB1 PHE 47 HB3 -0.17 0.16 -0.12 -0.04 3.06 2.88 3h0bB1 PHE 47 HD2 0.05 0.31 -0.29 -0.04 7.28 7.31 3h0bB1 PHE 47 HE2 0.05 0.02 -0.03 -0.04 7.38 7.38 3h0bB1 PHE 47 HZ 0.03 0.02 -0.00 -0.04 7.32 7.33 3h0bB1 LEU 48 H 0.00 0.45 -0.51 -0.55 8.37 7.77 3h0bB1 LEU 48 HA -0.37 0.12 0.95 -0.75 4.35 4.30 3h0bB1 LEU 48 HB2 -0.12 0.06 0.14 -0.04 1.64 1.67 3h0bB1 LEU 48 HB3 -0.14 0.14 -0.03 -0.04 1.64 1.57 3h0bB1 LEU 48 HG -0.84 -0.15 -0.12 -0.04 1.64 0.48 3h0bB1 LEU 48 HD13 -0.37 0.03 0.01 -0.04 0.93 0.57 3h0bB1 LEU 48 HD23 -1.06 0.04 0.09 -0.04 0.89 -0.09 3h0bB1 HIS 49 H -0.29 0.13 0.12 -0.55 8.41 7.82 3h0bB1 HIS 49 HA -0.02 0.12 0.56 -0.75 4.63 4.54 3h0bB1 HIS 49 HB2 -0.06 -0.02 0.06 -0.04 3.26 3.20 3h0bB1 HIS 49 HB3 -0.03 0.02 0.05 -0.04 3.20 3.19 3h0bB1 HIS 49 HD2 -0.02 0.04 -0.05 -0.04 6.97 6.90 3h0bB1 HIS 49 HE1 -0.09 0.05 -0.10 -0.04 7.75 7.56 3h0bB1 ARG 50 H 0.01 0.18 -0.02 -0.55 8.46 8.07 3h0bB1 ARG 50 HA 0.01 0.12 0.46 -0.75 4.34 4.19 3h0bB1 ARG 50 HB2 -0.06 0.03 0.06 -0.04 1.90 1.88 3h0bB1 ARG 50 HB3 -0.01 0.11 -0.12 -0.04 1.80 1.75 3h0bB1 ARG 50 HG2 0.03 -0.17 -0.13 -0.04 1.67 1.36 3h0bB1 ARG 50 HG3 0.00 -0.00 -0.21 -0.04 1.67 1.42 3h0bB1 ARG 50 HD2 -0.01 0.27 -0.00 -0.04 3.22 3.44 3h0bB1 ARG 50 HD3 0.00 -0.00 -0.09 -0.04 3.22 3.08 3h0bB1 TYR 51 H -0.30 0.27 0.10 -0.55 8.29 7.81 3h0bB1 TYR 51 HA -0.02 0.14 0.59 -0.75 4.56 4.52 3h0bB1 TYR 51 HB2 -0.03 0.06 -0.34 -0.04 3.06 2.72 3h0bB1 TYR 51 HB3 -0.08 0.06 -0.33 -0.04 2.98 2.59 3h0bB1 TYR 51 HD2 -0.05 0.11 -0.53 -0.04 7.15 6.64 3h0bB1 TYR 51 HE2 -0.04 0.01 -0.17 -0.04 6.85 6.61 3h0bB1 TYR 52 H 0.25 0.83 0.28 -0.55 8.29 9.10 3h0bB1 TYR 52 HA -0.04 0.05 0.46 -0.75 4.56 4.28 3h0bB1 TYR 52 HB2 -0.02 -0.00 -0.05 -0.04 3.06 2.94 3h0bB1 TYR 52 HB3 0.00 0.09 0.04 -0.04 2.98 3.07 3h0bB1 TYR 52 HD2 -0.03 0.02 -0.15 -0.04 7.15 6.95 3h0bB1 TYR 52 HE2 0.04 0.03 -0.23 -0.04 6.85 6.64 3h0bB1 GLN 53 H 0.03 0.23 0.08 -0.55 8.47 8.27 3h0bB1 GLN 53 HA -0.15 0.19 0.89 -0.75 4.36 4.53 3h0bB1 GLN 53 HB2 -0.10 0.01 0.16 -0.04 2.15 2.18 3h0bB1 GLN 53 HB3 -0.09 -0.05 0.01 -0.04 2.02 1.85 3h0bB1 GLN 53 HG2 -0.28 0.03 -0.29 -0.04 2.40 1.83 3h0bB1 GLN 53 HG3 -0.29 0.17 -0.06 -0.04 2.39 2.17 3h0bB1 GLN 53 HE21 -0.08 0.00 -0.04 -0.04 6.97 6.82 3h0bB1 GLN 53 HE22 -0.02 -0.01 -0.06 -0.04 7.69 7.56 3h0bB1 ARG 54 H -0.53 0.29 0.06 -0.55 8.46 7.73 3h0bB1 ARG 54 HA -0.58 0.07 0.24 -0.75 4.34 3.31 3h0bB1 ARG 54 HB2 -0.68 0.00 0.09 -0.04 1.90 1.28 3h0bB1 ARG 54 HB3 -1.65 0.03 -0.00 -0.04 1.80 0.13 3h0bB1 ARG 54 HG2 -1.02 0.01 -0.04 -0.04 1.67 0.57 3h0bB1 ARG 54 HG3 -1.17 0.02 -0.05 -0.04 1.67 0.42 3h0bB1 ARG 54 HD2 -0.78 -0.02 -0.02 -0.04 3.22 2.35 3h0bB1 ARG 54 HD3 -0.20 0.03 -0.02 -0.04 3.22 2.98 3h0bB1 GLN 55 H -0.21 0.08 -0.19 -0.55 8.47 7.60 3h0bB1 GLN 55 HA -0.07 0.11 0.33 -0.75 4.36 3.98 3h0bB1 GLN 55 HB2 -0.04 0.03 0.09 -0.04 2.15 2.20 3h0bB1 GLN 55 HB3 -0.08 -0.03 0.08 -0.04 2.02 1.95 3h0bB1 GLN 55 HG2 -0.05 0.09 -0.33 -0.04 2.40 2.08 3h0bB1 GLN 55 HG3 -0.03 0.01 -0.06 -0.04 2.39 2.26 3h0bB1 GLN 55 HE21 -0.01 0.02 -0.04 -0.04 6.97 6.90 3h0bB1 GLN 55 HE22 -0.03 0.03 -0.06 -0.04 7.69 7.59 3h0bB1 LEU 56 H -0.09 0.34 -0.59 -0.55 8.37 7.49 3h0bB1 LEU 56 HA -0.01 0.14 0.70 -0.75 4.35 4.43 3h0bB1 LEU 56 HB2 -0.03 0.12 0.04 -0.04 1.64 1.74 3h0bB1 LEU 56 HB3 -0.01 0.00 0.14 -0.04 1.64 1.74 3h0bB1 LEU 56 HG -0.05 -0.10 -0.10 -0.04 1.64 1.35 3h0bB1 LEU 56 HD13 -0.04 -0.00 -0.00 -0.04 0.93 0.84 3h0bB1 LEU 56 HD23 -0.02 0.02 -0.14 -0.04 0.89 0.70 3h0bB1 SER 57 H 0.01 0.52 -0.24 -0.55 8.46 8.21 3h0bB1 SER 57 HA 0.08 0.39 1.01 -0.75 4.49 5.21 3h0bB1 SER 57 HB2 0.19 0.11 -0.03 -0.04 3.95 4.18 3h0bB1 SER 57 HB3 0.19 0.07 0.23 -0.04 3.93 4.38 3h0bB1 SER 58 H 0.06 0.70 0.32 -0.55 8.46 8.99 3h0bB1 SER 58 HA 0.06 0.10 0.46 -0.75 4.49 4.37 3h0bB1 SER 58 HB2 0.04 -0.02 0.11 -0.04 3.95 4.03 3h0bB1 SER 58 HB3 0.04 0.02 0.13 -0.04 3.93 4.08 3h0bB1 THR 59 H 0.10 -0.08 -0.34 -0.55 8.28 7.41 3h0bB1 THR 59 HA 0.06 0.26 0.71 -0.75 4.39 4.67 3h0bB1 THR 59 HB 0.06 -0.03 0.11 -0.04 4.32 4.42 3h0bB1 THR 59 HG23 0.04 0.02 -0.10 -0.04 1.22 1.14 3h0bB1 TYR 60 H 0.22 0.37 -0.24 -0.55 8.29 8.09 3h0bB1 TYR 60 HA 0.11 0.15 0.68 -0.75 4.56 4.74 3h0bB1 TYR 60 HB2 0.12 -0.10 0.16 -0.04 3.06 3.20 3h0bB1 TYR 60 HB3 0.04 0.22 0.17 -0.04 2.98 3.37 3h0bB1 TYR 60 HD2 0.11 0.05 -0.09 -0.04 7.15 7.18 3h0bB1 TYR 60 HE2 0.05 -0.01 -0.09 -0.04 6.85 6.75 3h0bB1 ARG 61 H -0.56 0.53 0.35 -0.55 8.46 8.22 3h0bB1 ARG 61 HA -0.36 0.14 0.77 -0.75 4.34 4.14 3h0bB1 ARG 61 HB2 -0.15 -0.08 0.06 -0.04 1.90 1.69 3h0bB1 ARG 61 HB3 -0.14 0.01 -0.04 -0.04 1.80 1.60 3h0bB1 ARG 61 HG2 -0.07 0.03 -0.01 -0.04 1.67 1.57 3h0bB1 ARG 61 HG3 -0.07 0.13 -0.58 -0.04 1.67 1.11 3h0bB1 ARG 61 HD2 -0.04 -0.06 -0.10 -0.04 3.22 2.99 3h0bB1 ARG 61 HD3 -0.04 -0.03 -0.06 -0.04 3.22 3.06 3h0bB1 ASP 62 H -0.27 0.20 0.14 -0.55 8.40 7.92 3h0bB1 ASP 62 HA -0.15 0.13 0.74 -0.75 4.63 4.60 3h0bB1 ASP 62 HB2 0.10 0.04 0.12 -0.04 2.71 2.92 3h0bB1 ASP 62 HB3 0.00 0.04 0.18 -0.04 2.70 2.88 3h0bB1 LEU 63 H 0.00 0.48 0.39 -0.55 8.37 8.70 3h0bB1 LEU 63 HA -0.01 0.15 0.59 -0.75 4.35 4.33 3h0bB1 LEU 63 HB2 0.04 0.05 -0.29 -0.04 1.64 1.40 3h0bB1 LEU 63 HB3 0.03 0.00 0.01 -0.04 1.64 1.64 3h0bB1 LEU 63 HG -0.01 -0.03 -0.11 -0.04 1.64 1.44 3h0bB1 LEU 63 HD13 0.05 -0.01 -0.11 -0.04 0.93 0.81 3h0bB1 LEU 63 HD23 0.00 0.02 -0.05 -0.04 0.89 0.82 3h0bB1 ARG 64 H 0.03 0.00 -0.29 -0.55 8.46 7.65 3h0bB1 ARG 64 HA 0.04 -0.02 0.28 -0.75 4.34 3.88 3h0bB1 ARG 64 HB2 0.01 0.15 -0.26 -0.04 1.90 1.76 3h0bB1 ARG 64 HB3 0.02 -0.03 0.21 -0.04 1.80 1.96 3h0bB1 ARG 64 HG2 0.03 -0.04 0.01 -0.04 1.67 1.63 3h0bB1 ARG 64 HG3 0.01 0.09 -0.14 -0.04 1.67 1.60 3h0bB1 ARG 64 HD2 0.01 0.02 -0.02 -0.04 3.22 3.19 3h0bB1 ARG 64 HD3 0.01 -0.01 0.02 -0.04 3.22 3.20 3h0bB1 LYS 65 H 0.05 0.16 -0.07 -0.55 8.42 8.01 3h0bB1 LYS 65 HA 0.03 0.10 0.64 -0.75 4.32 4.34 3h0bB1 LYS 65 HB2 0.03 0.18 -0.11 -0.04 1.87 1.93 3h0bB1 LYS 65 HB3 0.04 -0.08 -0.09 -0.04 1.79 1.62 3h0bB1 LYS 65 HG2 0.03 0.02 -0.16 -0.04 1.46 1.31 3h0bB1 LYS 65 HG3 0.02 -0.09 0.15 -0.04 1.46 1.50 3h0bB1 LYS 65 HD2 0.02 0.04 0.02 -0.04 1.69 1.73 3h0bB1 LYS 65 HD3 0.03 -0.04 -0.03 -0.04 1.68 1.60 3h0bB1 LYS 65 HE2 0.02 0.02 0.03 -0.04 2.99 3.01 3h0bB1 LYS 65 HE3 0.01 -0.01 0.06 -0.04 2.99 3.01 3h0bB1 GLY 66 H 0.03 0.17 0.18 -0.55 8.43 8.26 3h0bB1 GLY 66 HA2 0.06 0.20 0.98 -0.51 4.01 4.74 3h0bB1 GLY 66 HA3 0.03 0.02 0.36 -0.51 4.01 3.92 3h0bB1 VAL 67 H 0.05 0.63 0.33 -0.55 8.24 8.70 3h0bB1 VAL 67 HA -0.02 0.17 0.81 -0.75 4.13 4.33 3h0bB1 VAL 67 HB 0.05 0.04 -0.22 -0.04 2.12 1.95 3h0bB1 VAL 67 HG13 0.07 -0.01 -0.18 -0.04 0.97 0.81 3h0bB1 VAL 67 HG23 -0.12 0.02 -0.21 -0.04 0.95 0.60 3h0bB1 TYR 68 H -0.06 0.27 0.13 -0.55 8.29 8.08 3h0bB1 TYR 68 HA -0.35 0.15 1.00 -0.75 4.56 4.60 3h0bB1 TYR 68 HB2 -0.12 -0.02 -0.08 -0.04 3.06 2.80 3h0bB1 TYR 68 HB3 -0.14 0.01 0.13 -0.04 2.98 2.95 3h0bB1 TYR 68 HD2 -0.11 -0.01 -0.08 -0.04 7.15 6.91 3h0bB1 TYR 68 HE2 -0.06 -0.01 -0.12 -0.04 6.85 6.63 3h0bB1 VAL 69 H -1.14 0.76 0.25 -0.55 8.24 7.57 3h0bB1 VAL 69 HA -0.47 0.26 1.05 -0.75 4.13 4.21 3h0bB1 VAL 69 HB -2.29 -0.05 0.15 -0.04 2.12 -0.10 3h0bB1 VAL 69 HG13 -0.11 0.01 -0.15 -0.04 0.97 0.68 3h0bB1 VAL 69 HG23 -0.89 -0.01 -0.24 -0.04 0.95 -0.23 3h0bB1 PRO 70 HA -0.24 0.11 0.68 -0.51 4.44 4.49 3h0bB1 PRO 70 HB2 -0.02 -0.01 0.02 -0.04 2.28 2.23 3h0bB1 PRO 70 HB3 -0.03 0.05 0.06 -0.04 2.02 2.07 3h0bB1 PRO 70 HG2 0.02 0.04 0.06 -0.04 2.03 2.11 3h0bB1 PRO 70 HG3 0.02 0.03 -0.01 -0.04 2.03 2.02 3h0bB1 PRO 70 HD2 -0.13 0.10 0.24 -0.04 3.68 3.85 3h0bB1 PRO 70 HD3 -0.26 0.32 0.03 -0.04 3.65 3.70 3h0bB1 TYR 71 H 0.05 0.51 -0.07 -0.55 8.29 8.24 3h0bB1 TYR 71 HA 0.04 0.15 0.86 -0.75 4.56 4.86 3h0bB1 TYR 71 HB2 0.16 0.07 -0.28 -0.04 3.06 2.97 3h0bB1 TYR 71 HB3 0.21 -0.05 -0.08 -0.04 2.98 3.02 3h0bB1 TYR 71 HD2 0.26 -0.00 -0.02 -0.04 7.15 7.35 3h0bB1 TYR 71 HE2 0.06 0.04 -0.03 -0.04 6.85 6.88 3h0bB1 THR 72 H -0.08 0.19 0.04 -0.55 8.28 7.88 3h0bB1 THR 72 HA -0.19 0.03 0.32 -0.75 4.39 3.80 3h0bB1 THR 72 HB -1.51 -0.06 -0.50 -0.04 4.32 2.21 3h0bB1 THR 72 HG23 -0.35 0.13 0.03 -0.04 1.22 0.99 3h0bB1 GLN 73 H -0.06 0.07 -0.49 -0.55 8.47 7.44 3h0bB1 GLN 73 HA -0.01 -0.04 0.32 -0.75 4.36 3.87 3h0bB1 GLN 73 HB2 -0.01 -0.11 0.21 -0.04 2.15 2.20 3h0bB1 GLN 73 HB3 -0.05 0.39 0.80 -0.04 2.02 3.12 3h0bB1 GLN 73 HG2 -0.06 -0.07 -0.43 -0.04 2.40 1.80 3h0bB1 GLN 73 HG3 0.00 -0.09 -0.34 -0.04 2.39 1.93 3h0bB1 GLN 73 HE21 -0.01 -0.04 0.01 -0.04 6.97 6.88 3h0bB1 GLN 73 HE22 -0.01 0.01 -0.03 -0.04 7.69 7.62 3h0bB1 GLY 74 H -0.04 0.40 -0.09 -0.55 8.43 8.15 3h0bB1 GLY 74 HA2 0.06 0.04 0.74 -0.51 4.01 4.35 3h0bB1 GLY 74 HA3 0.12 0.29 0.47 -0.51 4.01 4.37 3h0bB1 LYS 75 H 0.17 0.52 0.28 -0.55 8.42 8.84 3h0bB1 LYS 75 HA -0.03 0.10 0.58 -0.75 4.32 4.22 3h0bB1 LYS 75 HB2 -0.49 0.02 -0.04 -0.04 1.87 1.32 3h0bB1 LYS 75 HB3 -0.12 0.28 0.05 -0.04 1.79 1.97 3h0bB1 LYS 75 HG2 0.02 0.03 -0.31 -0.04 1.46 1.16 3h0bB1 LYS 75 HG3 -0.02 -0.18 -0.24 -0.04 1.46 0.98 3h0bB1 LYS 75 HD2 -0.30 0.01 -0.29 -0.04 1.69 1.06 3h0bB1 LYS 75 HD3 0.16 0.03 -0.18 -0.04 1.68 1.65 3h0bB1 LYS 75 HE2 0.08 -0.08 -0.28 -0.04 2.99 2.67 3h0bB1 LYS 75 HE3 0.26 0.01 -0.19 -0.04 2.99 3.03 3h0bB1 TRP 76 H -0.56 0.70 0.33 -0.55 7.97 7.89 3h0bB1 TRP 76 HA -0.23 0.21 0.97 -0.75 4.62 4.81 3h0bB1 TRP 76 HB2 -0.51 0.03 0.06 -0.04 3.23 2.78 3h0bB1 TRP 76 HB3 -1.07 -0.04 -0.04 -0.04 3.23 2.04 3h0bB1 TRP 76 HD1 -0.94 0.01 -0.09 -0.04 7.22 6.16 3h0bB1 TRP 76 HE1 -0.22 0.01 -0.09 -0.04 10.20 9.86 3h0bB1 TRP 76 HE3 -0.18 0.09 -0.60 -0.04 7.59 6.86 3h0bB1 TRP 76 HZ2 -0.09 -0.01 -0.12 -0.04 7.44 7.18 3h0bB1 TRP 76 HZ3 -0.06 -0.03 -0.34 -0.04 7.13 6.66 3h0bB1 TRP 76 HH2 -0.05 0.01 -0.18 -0.04 7.19 6.93 3h0bB1 GLU 77 H 0.14 0.95 0.45 -0.55 8.60 9.59 3h0bB1 GLU 77 HA -0.18 0.25 1.13 -0.75 4.29 4.74 3h0bB1 GLU 77 HB2 0.09 -0.04 -0.04 -0.04 2.09 2.06 3h0bB1 GLU 77 HB3 0.10 -0.05 0.04 -0.04 1.99 2.03 3h0bB1 GLU 77 HG2 0.10 0.06 0.06 -0.04 2.34 2.52 3h0bB1 GLU 77 HG3 0.32 -0.05 0.10 -0.04 2.34 2.67 3h0bB1 GLY 78 H 0.08 0.71 0.42 -0.55 8.43 9.09 3h0bB1 GLY 78 HA2 0.18 0.03 0.99 -0.51 4.01 4.71 3h0bB1 GLY 78 HA3 0.34 0.02 0.14 -0.51 4.01 4.00 3h0bB1 GLU 79 H 0.13 0.64 0.35 -0.55 8.60 9.17 3h0bB1 GLU 79 HA 0.09 0.14 1.04 -0.75 4.29 4.81 3h0bB1 GLU 79 HB2 0.07 -0.02 0.06 -0.04 2.09 2.17 3h0bB1 GLU 79 HB3 0.09 0.01 0.21 -0.04 1.99 2.25 3h0bB1 GLU 79 HG2 0.11 -0.04 0.02 -0.04 2.34 2.39 3h0bB1 GLU 79 HG3 0.15 0.14 -0.18 -0.04 2.34 2.41 3h0bB1 LEU 80 H 0.10 0.75 0.38 -0.55 8.37 9.05 3h0bB1 LEU 80 HA 0.13 0.15 0.72 -0.75 4.35 4.59 3h0bB1 LEU 80 HB2 0.07 0.01 0.10 -0.04 1.64 1.79 3h0bB1 LEU 80 HB3 0.08 0.00 0.04 -0.04 1.64 1.72 3h0bB1 LEU 80 HG 0.09 -0.03 -0.20 -0.04 1.64 1.47 3h0bB1 LEU 80 HD13 0.07 0.00 -0.09 -0.04 0.93 0.87 3h0bB1 LEU 80 HD23 0.14 -0.00 -0.11 -0.04 0.89 0.88 3h0bB1 GLY 81 H 0.12 0.42 0.44 -0.55 8.43 8.85 3h0bB1 GLY 81 HA2 0.01 -0.07 0.63 -0.51 4.01 4.06 3h0bB1 GLY 81 HA3 0.12 0.09 0.56 -0.51 4.01 4.27 3h0bB1 THR 82 H -0.10 0.56 0.42 -0.55 8.28 8.61 3h0bB1 THR 82 HA 0.10 0.33 1.17 -0.75 4.39 5.24 3h0bB1 THR 82 HB 0.04 0.01 -0.01 -0.04 4.32 4.33 3h0bB1 THR 82 HG23 0.03 -0.02 -0.21 -0.04 1.22 0.97 3h0bB1 ASP 83 H 0.10 0.47 0.34 -0.55 8.40 8.77 3h0bB1 ASP 83 HA 0.10 0.25 0.37 -0.75 4.63 4.60 3h0bB1 ASP 83 HB2 0.32 0.11 -0.30 -0.04 2.71 2.79 3h0bB1 ASP 83 HB3 0.11 0.02 -0.15 -0.04 2.70 2.64 3h0bB1 LEU 84 H 0.08 0.07 0.09 -0.55 8.37 8.06 3h0bB1 LEU 84 HA 0.05 0.21 0.63 -0.75 4.35 4.49 3h0bB1 LEU 84 HB2 0.05 -0.07 -0.03 -0.04 1.64 1.55 3h0bB1 LEU 84 HB3 0.03 0.07 -0.16 -0.04 1.64 1.55 3h0bB1 LEU 84 HG 0.04 -0.04 -0.05 -0.04 1.64 1.56 3h0bB1 LEU 84 HD13 0.02 0.01 -0.11 -0.04 0.93 0.81 3h0bB1 LEU 84 HD23 0.02 0.01 -0.22 -0.04 0.89 0.66 3h0bB1 VAL 85 H 0.07 0.82 0.41 -0.55 8.24 8.99 3h0bB1 VAL 85 HA 0.05 0.36 1.13 -0.75 4.13 4.92 3h0bB1 VAL 85 HB 0.22 -0.02 0.08 -0.04 2.12 2.36 3h0bB1 VAL 85 HG13 -0.14 0.00 -0.07 -0.04 0.97 0.73 3h0bB1 VAL 85 HG23 0.25 0.01 -0.21 -0.04 0.95 0.96 3h0bB1 SER 86 H 0.01 0.50 0.37 -0.55 8.46 8.80 3h0bB1 SER 86 HA 0.03 0.20 0.75 -0.75 4.49 4.72 3h0bB1 SER 86 HB2 0.00 0.18 0.12 -0.04 3.95 4.21 3h0bB1 SER 86 HB3 0.01 -0.06 -0.19 -0.04 3.93 3.65 3h0bB1 ILE 87 H 0.00 0.35 0.10 -0.55 8.25 8.15 3h0bB1 ILE 87 HA -0.03 0.25 1.06 -0.75 4.18 4.71 3h0bB1 ILE 87 HB 0.02 0.01 0.15 -0.04 1.89 2.03 3h0bB1 ILE 87 HG12 -0.10 0.07 -0.11 -0.04 1.49 1.31 3h0bB1 ILE 87 HG13 -0.02 -0.10 -0.41 -0.04 1.21 0.63 3h0bB1 ILE 87 HG23 0.02 0.02 -0.23 -0.04 0.93 0.70 3h0bB1 ILE 87 HD13 -0.01 -0.01 -0.07 -0.04 0.88 0.74 3h0bB1 PRO 88 HA -0.12 0.03 0.29 -0.51 4.44 4.13 3h0bB1 PRO 88 HB2 -0.39 0.02 0.06 -0.04 2.28 1.92 3h0bB1 PRO 88 HB3 -0.27 0.01 0.02 -0.04 2.02 1.74 3h0bB1 PRO 88 HG2 -0.05 0.03 -0.14 -0.04 2.03 1.82 3h0bB1 PRO 88 HG3 -0.07 -0.00 -0.10 -0.04 2.03 1.82 3h0bB1 PRO 88 HD2 -0.02 0.51 0.07 -0.04 3.68 4.19 3h0bB1 PRO 88 HD3 -0.03 0.10 -0.13 -0.04 3.65 3.54 3h0bB1 HIS 89 H -0.05 0.13 -0.19 -0.55 8.41 7.76 3h0bB1 HIS 89 HA 0.03 0.21 0.88 -0.75 4.63 5.00 3h0bB1 HIS 89 HB2 0.03 -0.07 0.26 -0.04 3.26 3.44 3h0bB1 HIS 89 HB3 0.03 0.22 0.28 -0.04 3.20 3.69 3h0bB1 HIS 89 HD2 0.03 -0.03 0.06 -0.04 6.97 6.99 3h0bB1 HIS 89 HE1 0.02 -0.04 -0.03 -0.04 7.75 7.66 3h0bB1 GLY 90 H 0.04 0.53 -0.36 -0.55 8.43 8.08 3h0bB1 GLY 90 HA2 0.08 0.06 0.67 -0.51 4.01 4.31 3h0bB1 GLY 90 HA3 0.05 -0.04 0.38 -0.51 4.01 3.89 3h0bB1 PRO 91 HA 0.08 0.04 0.44 -0.51 4.44 4.50 3h0bB1 PRO 91 HB2 0.02 -0.02 -0.05 -0.04 2.28 2.19 3h0bB1 PRO 91 HB3 0.06 0.08 0.10 -0.04 2.02 2.22 3h0bB1 PRO 91 HG2 -0.00 0.02 0.03 -0.04 2.03 2.04 3h0bB1 PRO 91 HG3 0.04 0.09 0.09 -0.04 2.03 2.21 3h0bB1 PRO 91 HD2 0.03 0.10 0.19 -0.04 3.68 3.96 3h0bB1 PRO 91 HD3 0.05 0.08 0.27 -0.04 3.65 4.01 3h0bB1 ASN 92 H 0.04 0.09 0.10 -0.55 8.53 8.22 3h0bB1 ASN 92 HA 0.01 0.25 0.62 -0.75 4.76 4.89 3h0bB1 ASN 92 HB2 0.03 -0.01 0.14 -0.04 2.88 3.00 3h0bB1 ASN 92 HB3 0.02 -0.04 0.24 -0.04 2.79 2.97 3h0bB1 ASN 92 HD21 0.01 -0.02 0.02 -0.04 7.03 7.00 3h0bB1 ASN 92 HD22 0.02 -0.02 0.04 -0.04 7.74 7.74 3h0bB1 VAL 93 H 0.00 0.50 -0.32 -0.55 8.24 7.87 3h0bB1 VAL 93 HA -0.01 0.20 0.95 -0.75 4.13 4.50 3h0bB1 VAL 93 HB -0.05 0.06 -0.08 -0.04 2.12 2.01 3h0bB1 VAL 93 HG13 -0.03 -0.03 -0.20 -0.04 0.97 0.67 3h0bB1 VAL 93 HG23 -0.04 -0.01 -0.17 -0.04 0.95 0.69 3h0bB1 THR 94 H -0.02 0.25 0.13 -0.55 8.28 8.09 3h0bB1 THR 94 HA 0.01 0.28 0.95 -0.75 4.39 4.87 3h0bB1 THR 94 HB -0.01 -0.03 0.08 -0.04 4.32 4.32 3h0bB1 THR 94 HG23 0.01 -0.01 -0.27 -0.04 1.22 0.91 3h0bB1 VAL 95 H 0.01 0.70 0.31 -0.55 8.24 8.71 3h0bB1 VAL 95 HA -0.04 0.21 1.05 -0.75 4.13 4.59 3h0bB1 VAL 95 HB -0.13 0.08 -0.07 -0.04 2.12 1.96 3h0bB1 VAL 95 HG13 -0.14 0.01 -0.28 -0.04 0.97 0.51 3h0bB1 VAL 95 HG23 -0.19 -0.01 -0.19 -0.04 0.95 0.52 3h0bB1 ARG 96 H -0.03 0.18 0.14 -0.55 8.46 8.20 3h0bB1 ARG 96 HA 0.04 0.28 0.81 -0.75 4.34 4.71 3h0bB1 ARG 96 HB2 0.01 -0.02 0.03 -0.04 1.90 1.88 3h0bB1 ARG 96 HB3 -0.01 -0.00 0.13 -0.04 1.80 1.89 3h0bB1 ARG 96 HG2 0.02 -0.02 -0.22 -0.04 1.67 1.42 3h0bB1 ARG 96 HG3 0.04 -0.01 -0.09 -0.04 1.67 1.56 3h0bB1 ARG 96 HD2 0.00 -0.00 -0.05 -0.04 3.22 3.13 3h0bB1 ARG 96 HD3 0.00 -0.01 -0.09 -0.04 3.22 3.07 3h0bB1 ALA 97 H 0.11 0.56 0.36 -0.55 8.40 8.88 3h0bB1 ALA 97 HA 0.06 0.15 0.88 -0.75 4.34 4.67 3h0bB1 ALA 97 HB3 0.23 0.01 -0.06 -0.04 1.41 1.55 3h0bB1 ASN 98 H 0.12 0.17 0.15 -0.55 8.53 8.43 3h0bB1 ASN 98 HA 0.11 0.13 0.73 -0.75 4.76 4.98 3h0bB1 ASN 98 HB2 0.14 0.07 0.10 -0.04 2.88 3.15 3h0bB1 ASN 98 HB3 0.11 -0.03 0.03 -0.04 2.79 2.87 3h0bB1 ASN 98 HD21 0.05 -0.08 0.09 -0.04 7.03 7.05 3h0bB1 ASN 98 HD22 0.08 0.46 0.07 -0.04 7.74 8.31 3h0bB1 ILE 99 H 0.13 0.97 0.51 -0.55 8.25 9.31 3h0bB1 ILE 99 HA -0.00 0.28 0.98 -0.75 4.18 4.68 3h0bB1 ILE 99 HB 0.16 -0.04 -0.04 -0.04 1.89 1.93 3h0bB1 ILE 99 HG12 0.13 0.04 -0.27 -0.04 1.49 1.36 3h0bB1 ILE 99 HG13 0.17 0.16 -0.37 -0.04 1.21 1.14 3h0bB1 ILE 99 HG23 -0.24 -0.03 -0.34 -0.04 0.93 0.28 3h0bB1 ILE 99 HD13 -0.04 -0.02 -0.24 -0.04 0.88 0.53 3h0bB1 ALA 100 H -0.04 0.73 0.30 -0.55 8.40 8.86 3h0bB1 ALA 100 HA 0.14 0.12 0.73 -0.75 4.34 4.57 3h0bB1 ALA 100 HB3 0.18 -0.02 -0.01 -0.04 1.41 1.52 3h0bB1 ALA 101 H 0.14 0.68 0.21 -0.55 8.40 8.89 3h0bB1 ALA 101 HA 0.10 0.16 0.64 -0.75 4.34 4.48 3h0bB1 ALA 101 HB3 0.09 0.01 0.16 -0.04 1.41 1.62 3h0bB1 ILE 102 H 0.03 0.69 0.28 -0.55 8.25 8.69 3h0bB1 ILE 102 HA 0.20 0.11 0.58 -0.75 4.18 4.33 3h0bB1 ILE 102 HB 0.11 -0.06 -0.02 -0.04 1.89 1.87 3h0bB1 ILE 102 HG12 -0.52 -0.00 -0.23 -0.04 1.49 0.69 3h0bB1 ILE 102 HG13 -0.33 0.13 -0.13 -0.04 1.21 0.84 3h0bB1 ILE 102 HG23 0.12 0.00 -0.19 -0.04 0.93 0.82 3h0bB1 ILE 102 HD13 -0.71 -0.02 -0.23 -0.04 0.88 -0.12 3h0bB1 THR 103 H 0.14 0.48 0.50 -0.55 8.28 8.84 3h0bB1 THR 103 HA 0.03 0.17 0.73 -0.75 4.39 4.57 3h0bB1 THR 103 HB 0.02 -0.01 0.06 -0.04 4.32 4.35 3h0bB1 THR 103 HG23 0.02 0.04 -0.11 -0.04 1.22 1.13 3h0bB1 GLU 104 H 0.14 0.36 0.23 -0.55 8.60 8.78 3h0bB1 GLU 104 HA 0.10 0.16 0.68 -0.75 4.29 4.47 3h0bB1 GLU 104 HB2 0.08 -0.07 -0.07 -0.04 2.09 1.99 3h0bB1 GLU 104 HB3 0.08 -0.01 -0.08 -0.04 1.99 1.93 3h0bB1 GLU 104 HG2 0.04 0.26 -0.07 -0.04 2.34 2.52 3h0bB1 GLU 104 HG3 0.04 -0.05 -0.06 -0.04 2.34 2.23 3h0bB1 SER 105 H 0.15 0.31 0.19 -0.55 8.46 8.57 3h0bB1 SER 105 HA 0.09 0.22 0.79 -0.75 4.49 4.84 3h0bB1 SER 105 HB2 0.09 0.02 0.10 -0.04 3.95 4.11 3h0bB1 SER 105 HB3 0.05 0.02 -0.09 -0.04 3.93 3.87 3h0bB1 ASP 106 H 0.11 0.76 0.32 -0.55 8.40 9.05 3h0bB1 ASP 106 HA 0.12 0.13 0.93 -0.75 4.63 5.06 3h0bB1 ASP 106 HB2 0.07 0.01 -0.06 -0.04 2.71 2.69 3h0bB1 ASP 106 HB3 0.07 -0.02 0.10 -0.04 2.70 2.82 3h0bB1 LYS 107 H 0.16 0.17 0.11 -0.55 8.42 8.31 3h0bB1 LYS 107 HA 0.19 0.07 0.28 -0.75 4.32 4.10 3h0bB1 LYS 107 HB2 0.10 0.08 -0.08 -0.04 1.87 1.93 3h0bB1 LYS 107 HB3 0.10 0.06 0.15 -0.04 1.79 2.05 3h0bB1 LYS 107 HG2 0.10 0.02 0.02 -0.04 1.46 1.55 3h0bB1 LYS 107 HG3 0.08 -0.09 -0.11 -0.04 1.46 1.30 3h0bB1 LYS 107 HD2 0.04 0.09 -0.21 -0.04 1.69 1.57 3h0bB1 LYS 107 HD3 0.04 0.02 -0.06 -0.04 1.68 1.64 3h0bB1 LYS 107 HE2 0.03 0.01 -0.03 -0.04 2.99 2.96 3h0bB1 LYS 107 HE3 0.05 -0.02 -0.02 -0.04 2.99 2.97 3h0bB1 PHE 108 H 0.26 -0.05 -0.28 -0.55 8.34 7.72 3h0bB1 PHE 108 HA 0.18 0.26 0.85 -0.75 4.62 5.16 3h0bB1 PHE 108 HB2 0.06 0.05 -0.18 -0.04 3.15 3.04 3h0bB1 PHE 108 HB3 -0.30 -0.16 0.02 -0.04 3.06 2.58 3h0bB1 PHE 108 HD2 -0.74 0.00 -0.12 -0.04 7.28 6.38 3h0bB1 PHE 108 HE2 -0.39 -0.00 -0.15 -0.04 7.38 6.80 3h0bB1 PHE 108 HZ -0.43 -0.03 -0.14 -0.04 7.32 6.68 3h0bB1 PHE 109 H -0.02 0.00 0.01 -0.55 8.34 7.78 3h0bB1 PHE 109 HA -0.41 0.08 0.42 -0.75 4.62 3.97 3h0bB1 PHE 109 HB2 -0.37 -0.11 0.03 -0.04 3.15 2.66 3h0bB1 PHE 109 HB3 -0.29 0.16 -0.07 -0.04 3.06 2.82 3h0bB1 PHE 109 HD2 -0.48 0.02 -0.03 -0.04 7.28 6.75 3h0bB1 PHE 109 HE2 0.09 0.02 -0.16 -0.04 7.38 7.29 3h0bB1 PHE 109 HZ 0.01 -0.04 -0.02 -0.04 7.32 7.22 3h0bB1 ILE 110 H -0.42 0.13 0.18 -0.55 8.25 7.59 3h0bB1 ILE 110 HA -0.12 0.09 0.55 -0.75 4.18 3.94 3h0bB1 ILE 110 HB -0.34 -0.04 0.10 -0.04 1.89 1.56 3h0bB1 ILE 110 HG12 -0.04 0.01 -0.02 -0.04 1.49 1.40 3h0bB1 ILE 110 HG13 -0.10 0.06 0.03 -0.04 1.21 1.16 3h0bB1 ILE 110 HG23 -0.17 0.05 -0.13 -0.04 0.93 0.64 3h0bB1 ILE 110 HD13 0.09 0.02 0.03 -0.04 0.88 0.98 3h0bB1 ASN 111 H -0.53 0.14 0.13 -0.55 8.53 7.72 3h0bB1 ASN 111 HA -1.44 -0.02 0.46 -0.75 4.76 3.00 3h0bB1 ASN 111 HB2 -0.85 -0.01 0.15 -0.04 2.88 2.12 3h0bB1 ASN 111 HB3 -0.39 0.04 0.13 -0.04 2.79 2.53 3h0bB1 ASN 111 HD21 -0.06 0.00 -0.02 -0.04 7.03 6.91 3h0bB1 ASN 111 HD22 -0.16 -0.00 0.01 -0.04 7.74 7.55 3h0bB1 GLY 112 H -0.33 0.13 0.26 -0.55 8.43 7.94 3h0bB1 GLY 112 HA2 -0.12 -0.01 0.33 -0.51 4.01 3.70 3h0bB1 GLY 112 HA3 -0.12 0.07 0.35 -0.51 4.01 3.80 3h0bB1 SER 113 H -0.37 0.30 -0.05 -0.55 8.46 7.79 3h0bB1 SER 113 HA -0.20 0.14 0.34 -0.75 4.49 4.03 3h0bB1 SER 113 HB2 -0.53 -0.03 0.04 -0.04 3.95 3.40 3h0bB1 SER 113 HB3 -0.79 0.05 0.21 -0.04 3.93 3.37 3h0bB1 ASN 114 H -0.33 0.10 0.01 -0.55 8.53 7.76 3h0bB1 ASN 114 HA 0.05 -0.05 0.29 -0.75 4.76 4.29 3h0bB1 ASN 114 HB2 0.05 0.04 -0.30 -0.04 2.88 2.63 3h0bB1 ASN 114 HB3 -0.06 0.17 0.26 -0.04 2.79 3.11 3h0bB1 ASN 114 HD21 0.06 -0.03 0.00 -0.04 7.03 7.03 3h0bB1 ASN 114 HD22 0.16 0.04 -0.02 -0.04 7.74 7.88 3h0bB1 TRP 115 H -0.57 0.10 -0.33 -0.55 7.97 6.62 3h0bB1 TRP 115 HA -0.33 0.20 0.90 -0.75 4.62 4.63 3h0bB1 TRP 115 HB2 -0.09 -0.01 0.07 -0.04 3.23 3.16 3h0bB1 TRP 115 HB3 -0.38 0.03 -0.14 -0.04 3.23 2.70 3h0bB1 TRP 115 HD1 0.10 0.08 -0.12 -0.04 7.22 7.24 3h0bB1 TRP 115 HE1 -0.01 0.40 0.12 -0.04 10.20 10.67 3h0bB1 TRP 115 HE3 0.04 -0.13 -0.35 -0.04 7.59 7.11 3h0bB1 TRP 115 HZ2 -0.15 0.06 -0.01 -0.04 7.44 7.30 3h0bB1 TRP 115 HZ3 0.03 -0.07 -0.24 -0.04 7.13 6.82 3h0bB1 TRP 115 HH2 -0.58 0.01 -0.12 -0.04 7.19 6.45 3h0bB1 GLU 116 H 0.21 0.74 0.37 -0.55 8.60 9.37 3h0bB1 GLU 116 HA -0.06 0.19 1.00 -0.75 4.29 4.66 3h0bB1 GLU 116 HB2 0.04 -0.03 0.07 -0.04 2.09 2.13 3h0bB1 GLU 116 HB3 -0.02 -0.00 0.24 -0.04 1.99 2.16 3h0bB1 GLU 116 HG2 -0.05 0.28 0.06 -0.04 2.34 2.59 3h0bB1 GLU 116 HG3 -0.16 -0.01 -0.08 -0.04 2.34 2.04 3h0bB1 GLY 117 H 0.47 0.27 0.27 -0.55 8.43 8.89 3h0bB1 GLY 117 HA2 0.23 0.07 0.69 -0.51 4.01 4.49 3h0bB1 GLY 117 HA3 0.06 0.06 0.44 -0.51 4.01 4.07 3h0bB1 ILE 118 H -0.08 0.83 0.39 -0.55 8.25 8.85 3h0bB1 ILE 118 HA -0.26 0.17 1.03 -0.75 4.18 4.37 3h0bB1 ILE 118 HB -0.15 -0.07 0.09 -0.04 1.89 1.73 3h0bB1 ILE 118 HG12 -0.59 0.07 -0.13 -0.04 1.49 0.80 3h0bB1 ILE 118 HG13 -0.16 -0.10 -0.57 -0.04 1.21 0.34 3h0bB1 ILE 118 HG23 -0.15 -0.00 -0.23 -0.04 0.93 0.50 3h0bB1 ILE 118 HD13 -0.04 -0.00 -0.13 -0.04 0.88 0.67 3h0bB1 LEU 119 H -0.14 1.00 0.23 -0.55 8.37 8.92 3h0bB1 LEU 119 HA 0.04 0.12 0.96 -0.75 4.35 4.71 3h0bB1 LEU 119 HB2 -0.20 -0.00 -0.08 -0.04 1.64 1.32 3h0bB1 LEU 119 HB3 -0.19 0.01 0.14 -0.04 1.64 1.57 3h0bB1 LEU 119 HG -0.24 -0.04 -0.28 -0.04 1.64 1.04 3h0bB1 LEU 119 HD13 -0.72 0.00 -0.08 -0.04 0.93 0.09 3h0bB1 LEU 119 HD23 -0.38 0.00 -0.12 -0.04 0.89 0.35 3h0bB1 GLY 120 H 0.03 0.66 -0.07 -0.55 8.43 8.50 3h0bB1 GLY 120 HA2 -0.05 0.16 0.60 -0.51 4.01 4.21 3h0bB1 GLY 120 HA3 0.00 -0.24 -0.14 -0.51 4.01 3.12 3h0bB1 LEU 121 H -0.07 0.51 0.37 -0.55 8.37 8.64 3h0bB1 LEU 121 HA -0.07 0.06 0.76 -0.75 4.35 4.35 3h0bB1 LEU 121 HB2 -0.22 -0.08 -0.05 -0.04 1.64 1.26 3h0bB1 LEU 121 HB3 -0.44 -0.02 0.06 -0.04 1.64 1.21 3h0bB1 LEU 121 HG -0.28 0.11 -0.31 -0.04 1.64 1.13 3h0bB1 LEU 121 HD13 -0.93 -0.02 -0.15 -0.04 0.93 -0.22 3h0bB1 LEU 121 HD23 -0.32 -0.00 -0.12 -0.04 0.89 0.41 3h0bB1 ALA 122 H -0.04 0.52 0.09 -0.55 8.40 8.43 3h0bB1 ALA 122 HA -0.52 0.03 0.39 -0.75 4.34 3.49 3h0bB1 ALA 122 HB3 -0.13 0.03 -0.22 -0.04 1.41 1.05 3h0bB1 TYR 123 H -0.11 0.54 0.10 -0.55 8.29 8.27 3h0bB1 TYR 123 HA -0.00 0.15 0.50 -0.75 4.56 4.45 3h0bB1 TYR 123 HB2 -0.01 0.01 -0.19 -0.04 3.06 2.83 3h0bB1 TYR 123 HB3 0.02 -0.08 0.09 -0.04 2.98 2.97 3h0bB1 TYR 123 HD2 -0.11 0.05 -0.16 -0.04 7.15 6.89 3h0bB1 TYR 123 HE2 -0.08 0.01 -0.07 -0.04 6.85 6.68 3h0bB1 ALA 124 H 0.19 0.16 0.16 -0.55 8.40 8.36 3h0bB1 ALA 124 HA 0.07 0.15 0.24 -0.75 4.34 4.05 3h0bB1 ALA 124 HB3 0.08 0.05 0.10 -0.04 1.41 1.59 3h0bB1 GLU 125 H 0.12 0.12 -0.25 -0.55 8.60 8.04 3h0bB1 GLU 125 HA 0.06 0.02 0.33 -0.75 4.29 3.95 3h0bB1 GLU 125 HB2 0.07 0.05 0.13 -0.04 2.09 2.30 3h0bB1 GLU 125 HB3 0.20 -0.04 0.04 -0.04 1.99 2.15 3h0bB1 GLU 125 HG2 0.09 0.02 -0.01 -0.04 2.34 2.40 3h0bB1 GLU 125 HG3 0.02 -0.02 0.07 -0.04 2.34 2.37 3h0bB1 ILE 126 H 0.04 0.36 -0.45 -0.55 8.25 7.66 3h0bB1 ILE 126 HA 0.04 0.24 0.84 -0.75 4.18 4.54 3h0bB1 ILE 126 HB -0.19 -0.01 0.06 -0.04 1.89 1.70 3h0bB1 ILE 126 HG12 -0.15 0.20 -0.21 -0.04 1.49 1.29 3h0bB1 ILE 126 HG13 -0.12 -0.09 -0.37 -0.04 1.21 0.59 3h0bB1 ILE 126 HG23 -0.33 -0.03 -0.23 -0.04 0.93 0.30 3h0bB1 ILE 126 HD13 -0.63 -0.03 -0.28 -0.04 0.88 -0.10 3h0bB1 ALA 127 H 0.04 0.54 -0.41 -0.55 8.40 8.03 3h0bB1 ALA 127 HA 0.06 -0.10 0.43 -0.75 4.34 3.97 3h0bB1 ALA 127 HB3 0.07 0.04 -0.08 -0.04 1.41 1.39 3h0bB1 ARG 128 H 0.10 0.06 0.04 -0.55 8.46 8.11 3h0bB1 ARG 128 HA 0.03 0.21 0.56 -0.75 4.34 4.39 3h0bB1 ARG 128 HB2 0.08 -0.06 -0.03 -0.04 1.90 1.85 3h0bB1 ARG 128 HB3 -0.03 0.03 -0.00 -0.04 1.80 1.76 3h0bB1 ARG 128 HG2 0.08 -0.05 -0.07 -0.04 1.67 1.58 3h0bB1 ARG 128 HG3 -0.01 -0.01 -0.06 -0.04 1.67 1.55 3h0bB1 ARG 128 HD2 0.00 0.05 -0.07 -0.04 3.22 3.16 3h0bB1 ARG 128 HD3 0.04 0.10 -0.58 -0.04 3.22 2.74 3h0bB1 PRO 129 HA 0.00 0.06 0.38 -0.51 4.44 4.36 3h0bB1 PRO 129 HB2 0.02 0.02 -0.04 -0.04 2.28 2.25 3h0bB1 PRO 129 HB3 0.01 0.02 0.14 -0.04 2.02 2.15 3h0bB1 PRO 129 HG2 0.03 0.05 0.05 -0.04 2.03 2.12 3h0bB1 PRO 129 HG3 0.02 0.03 0.07 -0.04 2.03 2.11 3h0bB1 PRO 129 HD2 0.05 0.03 0.15 -0.04 3.68 3.88 3h0bB1 PRO 129 HD3 0.07 0.15 0.39 -0.04 3.65 4.21 3h0bB1 ASP 130 H 0.04 0.23 -0.17 -0.55 8.40 7.96 3h0bB1 ASP 130 HA 0.04 0.29 0.53 -0.75 4.63 4.73 3h0bB1 ASP 130 HB2 0.03 -0.06 0.17 -0.04 2.71 2.80 3h0bB1 ASP 130 HB3 0.02 0.16 -0.21 -0.04 2.70 2.63 3h0bB1 ASP 131 H 0.03 0.16 0.11 -0.55 8.40 8.15 3h0bB1 ASP 131 HA 0.05 0.37 0.14 -0.75 4.63 4.44 3h0bB1 ASP 131 HB2 0.04 -0.08 -0.10 -0.04 2.71 2.53 3h0bB1 ASP 131 HB3 0.04 0.08 0.06 -0.04 2.70 2.85 3h0bB1 SER 132 H 0.03 0.03 -0.78 -0.55 8.46 7.19 3h0bB1 SER 132 HA 0.03 0.13 0.53 -0.75 4.49 4.43 3h0bB1 SER 132 HB2 0.02 0.01 0.06 -0.04 3.95 4.01 3h0bB1 SER 132 HB3 0.02 -0.03 -0.03 -0.04 3.93 3.85 3h0bB1 LEU 133 H 0.05 0.44 -0.24 -0.55 8.37 8.08 3h0bB1 LEU 133 HA 0.05 0.07 0.68 -0.75 4.35 4.40 3h0bB1 LEU 133 HB2 0.06 -0.08 -0.04 -0.04 1.64 1.54 3h0bB1 LEU 133 HB3 0.07 0.06 0.02 -0.04 1.64 1.75 3h0bB1 LEU 133 HG 0.09 0.07 -0.22 -0.04 1.64 1.55 3h0bB1 LEU 133 HD13 0.07 -0.02 -0.03 -0.04 0.93 0.91 3h0bB1 LEU 133 HD23 0.11 -0.02 -0.00 -0.04 0.89 0.94 3h0bB1 GLU 134 H 0.05 0.16 0.09 -0.55 8.60 8.35 3h0bB1 GLU 134 HA 0.06 0.06 0.29 -0.75 4.29 3.94 3h0bB1 GLU 134 HB2 0.03 0.03 0.11 -0.04 2.09 2.23 3h0bB1 GLU 134 HB3 0.04 -0.07 0.14 -0.04 1.99 2.06 3h0bB1 GLU 134 HG2 0.02 0.13 -0.11 -0.04 2.34 2.33 3h0bB1 GLU 134 HG3 0.04 -0.02 0.02 -0.04 2.34 2.34 3h0bB1 PRO 135 HA 0.11 0.18 0.56 -0.51 4.44 4.79 3h0bB1 PRO 135 HB2 0.08 -0.22 0.00 -0.04 2.28 2.11 3h0bB1 PRO 135 HB3 0.07 0.22 0.08 -0.04 2.02 2.35 3h0bB1 PRO 135 HG2 0.08 -0.13 -0.01 -0.04 2.03 1.93 3h0bB1 PRO 135 HG3 0.07 0.17 -0.05 -0.04 2.03 2.17 3h0bB1 PRO 135 HD2 0.08 -0.02 0.21 -0.04 3.68 3.91 3h0bB1 PRO 135 HD3 0.07 0.32 0.19 -0.04 3.65 4.19 3h0bB1 PHE 136 H 0.21 0.26 0.14 -0.55 8.34 8.40 3h0bB1 PHE 136 HA -0.03 0.09 0.36 -0.75 4.62 4.28 3h0bB1 PHE 136 HB2 -0.17 0.06 0.11 -0.04 3.15 3.11 3h0bB1 PHE 136 HB3 -0.14 0.03 0.08 -0.04 3.06 3.00 3h0bB1 PHE 136 HD2 -0.20 0.00 -0.16 -0.04 7.28 6.89 3h0bB1 PHE 136 HE2 -0.20 0.03 -0.15 -0.04 7.38 7.01 3h0bB1 PHE 136 HZ -0.20 0.03 -0.17 -0.04 7.32 6.95 3h0bB1 PHE 137 H 0.24 0.22 -0.11 -0.55 8.34 8.14 3h0bB1 PHE 137 HA -0.27 0.06 0.26 -0.75 4.62 3.92 3h0bB1 PHE 137 HB2 -0.03 0.02 0.06 -0.04 3.15 3.16 3h0bB1 PHE 137 HB3 -0.02 0.08 -0.04 -0.04 3.06 3.04 3h0bB1 PHE 137 HD2 -0.03 0.01 -0.14 -0.04 7.28 7.08 3h0bB1 PHE 137 HE2 0.05 -0.06 -0.04 -0.04 7.38 7.29 3h0bB1 PHE 137 HZ 0.12 0.12 -0.08 -0.04 7.32 7.45 3h0bB1 ASP 138 H 0.06 0.15 -0.51 -0.55 8.40 7.55 3h0bB1 ASP 138 HA 0.06 0.05 0.41 -0.75 4.63 4.40 3h0bB1 ASP 138 HB2 0.03 0.21 0.05 -0.04 2.71 2.96 3h0bB1 ASP 138 HB3 0.03 -0.00 -0.02 -0.04 2.70 2.67 3h0bB1 SER 139 H -0.14 0.41 -0.12 -0.55 8.46 8.06 3h0bB1 SER 139 HA -0.11 0.01 0.44 -0.75 4.49 4.07 3h0bB1 SER 139 HB2 -0.27 0.07 0.11 -0.04 3.95 3.82 3h0bB1 SER 139 HB3 -0.13 0.09 0.09 -0.04 3.93 3.94 3h0bB1 LEU 140 H -0.58 0.52 -0.22 -0.55 8.37 7.55 3h0bB1 LEU 140 HA -0.41 -0.01 0.27 -0.75 4.35 3.45 3h0bB1 LEU 140 HB2 -1.06 -0.01 -0.02 -0.04 1.64 0.51 3h0bB1 LEU 140 HB3 -0.84 0.12 0.09 -0.04 1.64 0.96 3h0bB1 LEU 140 HG -0.41 0.03 -0.32 -0.04 1.64 0.90 3h0bB1 LEU 140 HD13 -0.22 -0.01 -0.09 -0.04 0.93 0.56 3h0bB1 LEU 140 HD23 -0.46 -0.01 -0.08 -0.04 0.89 0.29 3h0bB1 VAL 141 H -0.36 0.45 -0.23 -0.55 8.24 7.56 3h0bB1 VAL 141 HA -0.18 0.08 0.31 -0.75 4.13 3.58 3h0bB1 VAL 141 HB -0.07 0.07 0.14 -0.04 2.12 2.23 3h0bB1 VAL 141 HG13 0.02 0.00 -0.16 -0.04 0.97 0.79 3h0bB1 VAL 141 HG23 -0.17 0.05 -0.02 -0.04 0.95 0.76 3h0bB1 LYS 142 H -0.12 0.42 -0.13 -0.55 8.42 8.03 3h0bB1 LYS 142 HA -0.04 0.03 0.41 -0.75 4.32 3.97 3h0bB1 LYS 142 HB2 -0.07 0.05 0.17 -0.04 1.87 1.99 3h0bB1 LYS 142 HB3 -0.04 -0.05 -0.01 -0.04 1.79 1.64 3h0bB1 LYS 142 HG2 -0.01 -0.04 0.04 -0.04 1.46 1.40 3h0bB1 LYS 142 HG3 -0.02 0.02 0.04 -0.04 1.46 1.46 3h0bB1 LYS 142 HD2 -0.02 -0.01 -0.11 -0.04 1.69 1.51 3h0bB1 LYS 142 HD3 -0.02 -0.02 -0.02 -0.04 1.68 1.58 3h0bB1 LYS 142 HE2 0.01 -0.04 -0.02 -0.04 2.99 2.90 3h0bB1 LYS 142 HE3 0.00 -0.02 -0.01 -0.04 2.99 2.93 3h0bB1 GLN 143 H -0.14 0.52 -0.12 -0.55 8.47 8.19 3h0bB1 GLN 143 HA -0.09 0.06 0.55 -0.75 4.36 4.12 3h0bB1 GLN 143 HB2 -0.13 0.04 0.06 -0.04 2.15 2.08 3h0bB1 GLN 143 HB3 -0.09 -0.08 0.16 -0.04 2.02 1.97 3h0bB1 GLN 143 HG2 -0.07 -0.05 0.03 -0.04 2.40 2.26 3h0bB1 GLN 143 HG3 -0.10 0.12 0.11 -0.04 2.39 2.48 3h0bB1 GLN 143 HE21 -0.05 0.52 0.21 -0.04 6.97 7.60 3h0bB1 GLN 143 HE22 -0.07 -0.08 0.09 -0.04 7.69 7.59 3h0bB1 THR 144 H -0.15 0.33 -0.41 -0.55 8.28 7.51 3h0bB1 THR 144 HA -0.23 0.16 0.87 -0.75 4.39 4.43 3h0bB1 THR 144 HB -0.10 -0.18 0.15 -0.04 4.32 4.16 3h0bB1 THR 144 HG23 -0.12 0.01 -0.20 -0.04 1.22 0.86 3h0bB1 HIS 145 H -0.05 0.08 0.10 -0.55 8.41 7.99 3h0bB1 HIS 145 HA -0.01 0.30 0.86 -0.75 4.63 5.02 3h0bB1 HIS 145 HB2 0.00 -0.04 0.07 -0.04 3.26 3.25 3h0bB1 HIS 145 HB3 0.01 -0.02 0.17 -0.04 3.20 3.31 3h0bB1 HIS 145 HD2 -0.01 0.10 -0.03 -0.04 6.97 6.99 3h0bB1 HIS 145 HE1 -0.00 -0.03 -0.03 -0.04 7.75 7.65 3h0bB1 VAL 146 H -0.02 0.04 -0.20 -0.55 8.24 7.51 3h0bB1 VAL 146 HA 0.06 0.07 0.50 -0.75 4.13 4.01 3h0bB1 VAL 146 HB -0.13 0.02 -0.04 -0.04 2.12 1.93 3h0bB1 VAL 146 HG13 -0.02 0.07 -0.17 -0.04 0.97 0.82 3h0bB1 VAL 146 HG23 -0.03 -0.03 -0.02 -0.04 0.95 0.83 3h0bB1 PRO 147 HA 0.08 0.02 0.41 -0.51 4.44 4.43 3h0bB1 PRO 147 HB2 0.10 -0.06 -0.04 -0.04 2.28 2.23 3h0bB1 PRO 147 HB3 0.08 -0.05 0.02 -0.04 2.02 2.03 3h0bB1 PRO 147 HG2 0.12 0.23 0.18 -0.04 2.03 2.51 3h0bB1 PRO 147 HG3 0.08 -0.00 0.13 -0.04 2.03 2.21 3h0bB1 PRO 147 HD2 0.10 0.07 0.33 -0.04 3.68 4.14 3h0bB1 PRO 147 HD3 0.09 0.27 0.35 -0.04 3.65 4.32 3h0bB1 ASN 148 H 0.10 0.11 0.11 -0.55 8.53 8.31 3h0bB1 ASN 148 HA 0.32 0.17 0.56 -0.75 4.76 5.05 3h0bB1 ASN 148 HB2 0.12 0.11 0.13 -0.04 2.88 3.20 3h0bB1 ASN 148 HB3 0.12 -0.12 0.25 -0.04 2.79 3.00 3h0bB1 ASN 148 HD21 0.20 0.03 -0.14 -0.04 7.03 7.08 3h0bB1 ASN 148 HD22 0.13 0.03 -0.13 -0.04 7.74 7.73 3h0bB1 LEU 149 H 0.49 0.51 0.15 -0.55 8.37 8.98 3h0bB1 LEU 149 HA 0.01 0.13 0.82 -0.75 4.35 4.55 3h0bB1 LEU 149 HB2 0.05 0.04 -0.38 -0.04 1.64 1.30 3h0bB1 LEU 149 HB3 0.09 -0.00 -0.46 -0.04 1.64 1.22 3h0bB1 LEU 149 HG -0.04 0.06 -0.42 -0.04 1.64 1.20 3h0bB1 LEU 149 HD13 -0.04 -0.01 -0.23 -0.04 0.93 0.61 3h0bB1 LEU 149 HD23 0.02 -0.01 -0.46 -0.04 0.89 0.40 3h0bB1 PHE 150 H -0.35 0.51 0.33 -0.55 8.34 8.28 3h0bB1 PHE 150 HA -0.04 0.21 0.76 -0.75 4.62 4.80 3h0bB1 PHE 150 HB2 -0.08 0.06 0.05 -0.04 3.15 3.14 3h0bB1 PHE 150 HB3 -0.07 -0.00 0.00 -0.04 3.06 2.95 3h0bB1 PHE 150 HD2 -0.75 0.02 -0.21 -0.04 7.28 6.30 3h0bB1 PHE 150 HE2 -0.83 0.04 -0.07 -0.04 7.38 6.48 3h0bB1 PHE 150 HZ -1.20 -0.03 -0.05 -0.04 7.32 6.00 3h0bB1 SER 151 H 0.06 0.52 0.34 -0.55 8.46 8.83 3h0bB1 SER 151 HA -0.18 0.22 1.18 -0.75 4.49 4.95 3h0bB1 SER 151 HB2 -0.84 0.02 -0.12 -0.04 3.95 2.97 3h0bB1 SER 151 HB3 -0.35 -0.05 -0.05 -0.04 3.93 3.44 3h0bB1 LEU 152 H -0.13 0.72 0.37 -0.55 8.37 8.77 3h0bB1 LEU 152 HA 0.06 0.33 1.22 -0.75 4.35 5.21 3h0bB1 LEU 152 HB2 0.10 -0.00 0.17 -0.04 1.64 1.87 3h0bB1 LEU 152 HB3 -0.03 0.01 -0.01 -0.04 1.64 1.57 3h0bB1 LEU 152 HG 0.14 -0.07 -0.36 -0.04 1.64 1.31 3h0bB1 LEU 152 HD13 -0.08 -0.01 -0.07 -0.04 0.93 0.73 3h0bB1 LEU 152 HD23 -0.04 0.03 0.01 -0.04 0.89 0.85 3h0bB1 GLN 153 H 0.09 0.62 0.31 -0.55 8.47 8.94 3h0bB1 GLN 153 HA 0.14 0.33 1.05 -0.75 4.36 5.12 3h0bB1 GLN 153 HB2 0.19 -0.05 0.09 -0.04 2.15 2.34 3h0bB1 GLN 153 HB3 0.05 -0.17 0.31 -0.04 2.02 2.16 3h0bB1 GLN 153 HG2 0.05 0.11 -0.12 -0.04 2.40 2.40 3h0bB1 GLN 153 HG3 0.10 0.08 0.08 -0.04 2.39 2.60 3h0bB1 GLN 153 HE21 -0.03 0.05 -0.04 -0.04 6.97 6.91 3h0bB1 GLN 153 HE22 -0.01 0.14 0.17 -0.04 7.69 7.95 3h0bB1 LEU 154 H -0.06 0.35 0.00 -0.55 8.37 8.12 3h0bB1 LEU 154 HA -0.47 0.08 0.81 -0.75 4.35 4.01 3h0bB1 LEU 154 HB2 -0.16 0.04 -0.05 -0.04 1.64 1.43 3h0bB1 LEU 154 HB3 -0.75 0.04 -0.06 -0.04 1.64 0.83 3h0bB1 LEU 154 HG -0.18 -0.01 -0.09 -0.04 1.64 1.31 3h0bB1 LEU 154 HD13 -0.14 -0.02 -0.02 -0.04 0.93 0.71 3h0bB1 LEU 154 HD23 -0.72 -0.00 -0.19 -0.04 0.89 -0.06 3h0bB1 CYS 155 H -0.00 0.51 0.42 -0.55 8.50 8.88 3h0bB1 CYS 155 HA 0.04 0.07 0.72 -0.75 4.58 4.66 3h0bB1 CYS 155 HB2 0.07 0.18 0.13 -0.04 2.97 3.31 3h0bB1 CYS 155 HB3 0.03 0.05 -0.02 -0.04 2.97 2.99 3h0bB1 GLY 156 H 0.05 0.11 0.12 -0.55 8.43 8.16 3h0bB1 GLY 156 HA2 0.13 0.09 0.47 -0.51 4.01 4.19 3h0bB1 GLY 156 HA3 0.06 -0.04 0.44 -0.51 4.01 3.96 3h0bB1 ALA 157 H 0.04 0.10 0.13 -0.55 8.40 8.11 3h0bB1 ALA 157 HA 0.01 0.10 0.24 -0.75 4.34 3.94 3h0bB1 ALA 157 HB3 0.03 0.10 0.27 -0.04 1.41 1.76 3h0bB1 SER 169 HA -0.01 -0.03 0.47 -0.75 4.49 4.16 3h0bB1 SER 169 HB2 0.01 -0.07 0.13 -0.04 3.95 3.98 3h0bB1 SER 169 HB3 0.00 -0.05 0.13 -0.04 3.93 3.97 3h0bB1 VAL 170 H -0.08 0.53 0.25 -0.55 8.24 8.39 3h0bB1 VAL 170 HA 0.01 0.28 0.91 -0.75 4.13 4.57 3h0bB1 VAL 170 HB 0.08 0.28 0.24 -0.04 2.12 2.68 3h0bB1 VAL 170 HG13 -0.02 -0.01 -0.15 -0.04 0.97 0.75 3h0bB1 VAL 170 HG23 -0.45 -0.05 -0.34 -0.04 0.95 0.07 3h0bB1 GLY 171 H 0.14 0.45 0.27 -0.55 8.43 8.74 3h0bB1 GLY 171 HA2 0.07 0.11 0.43 -0.51 4.01 4.12 3h0bB1 GLY 171 HA3 0.04 0.06 0.39 -0.51 4.01 3.99 3h0bB1 GLY 172 H 0.03 0.53 0.32 -0.55 8.43 8.76 3h0bB1 GLY 172 HA2 -0.00 0.04 0.52 -0.51 4.01 4.06 3h0bB1 GLY 172 HA3 -0.08 0.09 0.63 -0.51 4.01 4.13 3h0bB1 SER 173 H -0.01 0.51 0.40 -0.55 8.46 8.81 3h0bB1 SER 173 HA 0.01 0.12 1.14 -0.75 4.49 5.00 3h0bB1 SER 173 HB2 0.05 -0.02 0.12 -0.04 3.95 4.06 3h0bB1 SER 173 HB3 0.05 0.16 0.02 -0.04 3.93 4.11 3h0bB1 MET 174 H 0.02 0.32 0.15 -0.55 8.47 8.41 3h0bB1 MET 174 HA 0.05 0.29 0.98 -0.75 4.52 5.08 3h0bB1 MET 174 HB2 -0.04 -0.01 -0.03 -0.04 2.15 2.03 3h0bB1 MET 174 HB3 -0.01 0.05 0.15 -0.04 2.03 2.18 3h0bB1 MET 174 HG2 -0.01 -0.04 -0.31 -0.04 2.63 2.24 3h0bB1 MET 174 HG3 -0.02 0.03 -0.07 -0.04 2.56 2.46 3h0bB1 MET 174 HE3 -0.07 0.01 -0.06 -0.04 2.10 1.95 3h0bB1 ILE 175 H 0.08 0.56 0.13 -0.55 8.25 8.47 3h0bB1 ILE 175 HA -0.00 0.18 0.78 -0.75 4.18 4.38 3h0bB1 ILE 175 HB -0.01 -0.01 0.10 -0.04 1.89 1.92 3h0bB1 ILE 175 HG12 0.15 0.03 -0.17 -0.04 1.49 1.45 3h0bB1 ILE 175 HG13 0.13 -0.11 -0.14 -0.04 1.21 1.04 3h0bB1 ILE 175 HG23 -0.52 -0.02 -0.38 -0.04 0.93 -0.03 3h0bB1 ILE 175 HD13 0.09 0.04 -0.31 -0.04 0.88 0.66 3h0bB1 ILE 176 H 0.02 0.26 0.13 -0.55 8.25 8.12 3h0bB1 ILE 176 HA 0.21 0.05 0.79 -0.75 4.18 4.48 3h0bB1 ILE 176 HB 0.07 0.00 0.21 -0.04 1.89 2.13 3h0bB1 ILE 176 HG12 0.21 -0.01 -0.02 -0.04 1.49 1.63 3h0bB1 ILE 176 HG13 0.07 -0.04 -0.15 -0.04 1.21 1.05 3h0bB1 ILE 176 HG23 0.10 0.01 -0.11 -0.04 0.93 0.88 3h0bB1 ILE 176 HD13 0.05 0.01 0.01 -0.04 0.88 0.91 3h0bB1 GLY 177 H 0.20 0.65 0.56 -0.55 8.43 9.30 3h0bB1 GLY 177 HA2 0.14 0.16 0.36 -0.51 4.01 4.16 3h0bB1 GLY 177 HA3 0.08 0.00 0.42 -0.51 4.01 4.00 3h0bB1 GLY 178 H -0.13 0.23 -0.23 -0.55 8.43 7.76 3h0bB1 GLY 178 HA2 -0.01 0.11 0.40 -0.51 4.01 4.00 3h0bB1 GLY 178 HA3 -0.76 0.06 0.06 -0.51 4.01 2.85 3h0bB1 ILE 179 H 0.17 0.33 -0.01 -0.55 8.25 8.19 3h0bB1 ILE 179 HA 0.16 0.10 0.67 -0.75 4.18 4.36 3h0bB1 ILE 179 HB 0.21 0.03 0.01 -0.04 1.89 2.10 3h0bB1 ILE 179 HG12 -0.02 0.04 -0.26 -0.04 1.49 1.20 3h0bB1 ILE 179 HG13 0.06 -0.07 -0.46 -0.04 1.21 0.70 3h0bB1 ILE 179 HG23 0.24 0.00 -0.27 -0.04 0.93 0.86 3h0bB1 ILE 179 HD13 0.06 0.00 -0.16 -0.04 0.88 0.75 3h0bB1 ASP 180 H 0.35 0.15 -0.06 -0.55 8.40 8.30 3h0bB1 ASP 180 HA 0.36 0.43 0.78 -0.75 4.63 5.44 3h0bB1 ASP 180 HB2 0.28 -0.00 -0.09 -0.04 2.71 2.85 3h0bB1 ASP 180 HB3 0.05 -0.01 0.04 -0.04 2.70 2.75 3h0bB1 HIS 181 H 0.27 0.56 0.25 -0.55 8.41 8.95 3h0bB1 HIS 181 HA -0.12 0.08 0.29 -0.75 4.63 4.12 3h0bB1 HIS 181 HB2 -0.02 0.06 0.15 -0.04 3.26 3.42 3h0bB1 HIS 181 HB3 -0.14 0.03 -0.04 -0.04 3.20 3.00 3h0bB1 HIS 181 HD2 0.13 0.07 -0.01 -0.04 6.97 7.12 3h0bB1 HIS 181 HE1 0.03 -0.00 -0.03 -0.04 7.75 7.70 3h0bB1 SER 182 H 0.01 0.06 -0.26 -0.55 8.46 7.72 3h0bB1 SER 182 HA -0.09 0.19 0.47 -0.75 4.49 4.31 3h0bB1 SER 182 HB2 -0.04 0.06 0.09 -0.04 3.95 4.02 3h0bB1 SER 182 HB3 -0.01 -0.04 0.05 -0.04 3.93 3.88 3h0bB1 LEU 183 H -0.22 0.31 -0.55 -0.55 8.37 7.36 3h0bB1 LEU 183 HA -0.16 0.15 0.61 -0.75 4.35 4.21 3h0bB1 LEU 183 HB2 -1.16 0.16 0.02 -0.04 1.64 0.62 3h0bB1 LEU 183 HB3 -0.61 -0.05 0.06 -0.04 1.64 1.00 3h0bB1 LEU 183 HG -0.15 -0.08 -0.12 -0.04 1.64 1.24 3h0bB1 LEU 183 HD13 -0.00 -0.02 -0.07 -0.04 0.93 0.79 3h0bB1 LEU 183 HD23 -0.07 0.03 -0.20 -0.04 0.89 0.60 3h0bB1 TYR 184 H -0.31 0.37 -0.19 -0.55 8.29 7.60 3h0bB1 TYR 184 HA -0.03 0.03 0.82 -0.75 4.56 4.62 3h0bB1 TYR 184 HB2 0.06 0.20 0.03 -0.04 3.06 3.31 3h0bB1 TYR 184 HB3 0.02 -0.12 -0.29 -0.04 2.98 2.56 3h0bB1 TYR 184 HD2 -0.18 0.09 -0.29 -0.04 7.15 6.73 3h0bB1 TYR 184 HE2 -0.15 0.04 -0.24 -0.04 6.85 6.45 3h0bB1 THR 185 H 0.21 0.47 0.13 -0.55 8.28 8.54 3h0bB1 THR 185 HA -0.10 0.19 0.77 -0.75 4.39 4.50 3h0bB1 THR 185 HB 0.02 -0.09 0.09 -0.04 4.32 4.29 3h0bB1 THR 185 HG23 -0.01 0.01 -0.23 -0.04 1.22 0.94 3h0bB1 GLY 186 H 0.04 0.08 0.13 -0.55 8.43 8.14 3h0bB1 GLY 186 HA2 0.08 0.00 0.35 -0.51 4.01 3.93 3h0bB1 GLY 186 HA3 0.12 0.04 0.52 -0.51 4.01 4.18 3h0bB1 SER 187 H 0.15 0.12 0.23 -0.55 8.46 8.41 3h0bB1 SER 187 HA 0.06 0.14 0.71 -0.75 4.49 4.64 3h0bB1 SER 187 HB2 0.05 0.01 0.06 -0.04 3.95 4.02 3h0bB1 SER 187 HB3 -0.36 0.09 -0.03 -0.04 3.93 3.58 3h0bB1 LEU 188 H -0.17 0.11 0.13 -0.55 8.37 7.89 3h0bB1 LEU 188 HA -0.28 0.35 0.76 -0.75 4.35 4.42 3h0bB1 LEU 188 HB2 -0.28 -0.04 0.09 -0.04 1.64 1.37 3h0bB1 LEU 188 HB3 -0.67 -0.05 -0.16 -0.04 1.64 0.72 3h0bB1 LEU 188 HG -0.91 0.05 -0.19 -0.04 1.64 0.55 3h0bB1 LEU 188 HD13 -0.30 -0.01 -0.14 -0.04 0.93 0.44 3h0bB1 LEU 188 HD23 -0.59 -0.01 -0.34 -0.04 0.89 -0.09 3h0bB1 TRP 189 H -0.19 0.70 0.33 -0.55 7.97 8.25 3h0bB1 TRP 189 HA -0.39 0.12 0.89 -0.75 4.62 4.49 3h0bB1 TRP 189 HB2 -1.13 0.04 0.06 -0.04 3.23 2.16 3h0bB1 TRP 189 HB3 -1.83 0.00 -0.11 -0.04 3.23 1.26 3h0bB1 TRP 189 HD1 -0.22 0.19 -0.22 -0.04 7.22 6.93 3h0bB1 TRP 189 HE1 -0.08 0.01 -0.09 -0.04 10.20 10.01 3h0bB1 TRP 189 HE3 -0.14 0.01 -0.07 -0.04 7.59 7.35 3h0bB1 TRP 189 HZ2 -0.07 0.13 -0.13 -0.04 7.44 7.33 3h0bB1 TRP 189 HZ3 0.02 -0.03 -0.05 -0.04 7.13 7.02 3h0bB1 TRP 189 HH2 -0.06 0.05 -0.33 -0.04 7.19 6.80 3h0bB1 TYR 190 H 0.05 0.13 0.10 -0.55 8.29 8.01 3h0bB1 TYR 190 HA 0.02 0.36 0.91 -0.75 4.56 5.09 3h0bB1 TYR 190 HB2 -0.02 -0.05 0.01 -0.04 3.06 2.95 3h0bB1 TYR 190 HB3 0.01 0.05 -0.24 -0.04 2.98 2.76 3h0bB1 TYR 190 HD2 -0.14 0.01 -0.38 -0.04 7.15 6.60 3h0bB1 TYR 190 HE2 -0.18 -0.00 -0.15 -0.04 6.85 6.48 3h0bB1 THR 191 H 0.35 0.65 0.32 -0.55 8.28 9.05 3h0bB1 THR 191 HA 0.34 0.37 0.89 -0.75 4.39 5.24 3h0bB1 THR 191 HB 0.31 -0.07 -0.01 -0.04 4.32 4.51 3h0bB1 THR 191 HG23 0.27 0.03 0.01 -0.04 1.22 1.49 3h0bB1 PRO 192 HA 0.11 0.13 0.50 -0.51 4.44 4.67 3h0bB1 PRO 192 HB2 0.09 -0.05 -0.12 -0.04 2.28 2.16 3h0bB1 PRO 192 HB3 0.07 0.10 0.08 -0.04 2.02 2.24 3h0bB1 PRO 192 HG2 0.09 -0.02 0.02 -0.04 2.03 2.08 3h0bB1 PRO 192 HG3 0.10 0.03 0.00 -0.04 2.03 2.12 3h0bB1 PRO 192 HD2 0.11 -0.04 0.11 -0.04 3.68 3.82 3h0bB1 PRO 192 HD3 0.17 0.26 -0.09 -0.04 3.65 3.95 3h0bB1 ILE 193 H 0.10 0.65 0.11 -0.55 8.25 8.56 3h0bB1 ILE 193 HA 0.16 0.20 0.73 -0.75 4.18 4.51 3h0bB1 ILE 193 HB 0.12 0.02 -0.05 -0.04 1.89 1.94 3h0bB1 ILE 193 HG12 0.21 0.04 -0.24 -0.04 1.49 1.45 3h0bB1 ILE 193 HG13 0.14 -0.05 -0.52 -0.04 1.21 0.73 3h0bB1 ILE 193 HG23 0.21 -0.05 -0.25 -0.04 0.93 0.80 3h0bB1 ILE 193 HD13 0.40 -0.01 -0.19 -0.04 0.88 1.04 3h0bB1 ARG 194 H 0.15 0.57 0.18 -0.55 8.46 8.82 3h0bB1 ARG 194 HA 0.09 0.03 0.21 -0.75 4.34 3.92 3h0bB1 ARG 194 HB2 0.14 -0.00 -0.06 -0.04 1.90 1.94 3h0bB1 ARG 194 HB3 0.20 -0.09 0.02 -0.04 1.80 1.89 3h0bB1 ARG 194 HG2 0.09 -0.00 -0.12 -0.04 1.67 1.60 3h0bB1 ARG 194 HG3 0.09 -0.02 -0.03 -0.04 1.67 1.67 3h0bB1 ARG 194 HD2 0.14 -0.00 -0.07 -0.04 3.22 3.25 3h0bB1 ARG 194 HD3 0.19 -0.02 -0.05 -0.04 3.22 3.30 3h0bB1 ARG 195 H 0.24 0.19 0.02 -0.55 8.46 8.37 3h0bB1 ARG 195 HA 0.03 0.19 0.73 -0.75 4.34 4.53 3h0bB1 ARG 195 HB2 0.07 0.04 -0.21 -0.04 1.90 1.76 3h0bB1 ARG 195 HB3 0.21 -0.09 -0.02 -0.04 1.80 1.86 3h0bB1 ARG 195 HG2 -0.20 -0.04 -0.08 -0.04 1.67 1.31 3h0bB1 ARG 195 HG3 -0.12 0.07 0.05 -0.04 1.67 1.63 3h0bB1 ARG 195 HD2 -0.32 0.02 -0.03 -0.04 3.22 2.85 3h0bB1 ARG 195 HD3 -0.44 0.00 -0.05 -0.04 3.22 2.70 3h0bB1 GLU 196 H -0.08 0.19 0.05 -0.55 8.60 8.22 3h0bB1 GLU 196 HA -0.28 0.22 0.65 -0.75 4.29 4.12 3h0bB1 GLU 196 HB2 -0.34 -0.01 0.21 -0.04 2.09 1.91 3h0bB1 GLU 196 HB3 -1.20 -0.04 0.16 -0.04 1.99 0.87 3h0bB1 GLU 196 HG2 -1.24 0.01 -0.01 -0.04 2.34 1.05 3h0bB1 GLU 196 HG3 -0.29 0.02 -0.13 -0.04 2.34 1.90 3h0bB1 TRP 197 H 0.66 0.48 0.06 -0.55 7.97 8.63 3h0bB1 TRP 197 HA 0.00 0.00 0.59 -0.75 4.62 4.46 3h0bB1 TRP 197 HB2 -0.12 0.02 -0.06 -0.04 3.23 3.03 3h0bB1 TRP 197 HB3 -0.03 0.05 -0.05 -0.04 3.23 3.16 3h0bB1 TRP 197 HD1 0.05 0.23 -0.22 -0.04 7.22 7.24 3h0bB1 TRP 197 HE1 0.12 0.02 0.01 -0.04 10.20 10.31 3h0bB1 TRP 197 HE3 0.04 0.03 -0.09 -0.04 7.59 7.53 3h0bB1 TRP 197 HZ2 0.13 0.05 -0.01 -0.04 7.44 7.57 3h0bB1 TRP 197 HZ3 0.21 0.02 -0.05 -0.04 7.13 7.27 3h0bB1 TRP 197 HH2 0.13 0.03 -0.04 -0.04 7.19 7.27 3h0bB1 TYR 198 H -1.22 0.10 0.11 -0.55 8.29 6.72 3h0bB1 TYR 198 HA -0.23 0.18 0.70 -0.75 4.56 4.46 3h0bB1 TYR 198 HB2 -0.84 -0.02 0.01 -0.04 3.06 2.17 3h0bB1 TYR 198 HB3 -0.28 -0.03 0.06 -0.04 2.98 2.70 3h0bB1 TYR 198 HD2 -1.48 -0.02 0.01 -0.04 7.15 5.61 3h0bB1 TYR 198 HE2 -0.34 0.09 -0.01 -0.04 6.85 6.54 3h0bB1 TYR 199 H 0.23 0.25 0.11 -0.55 8.29 8.32 3h0bB1 TYR 199 HA 0.27 0.19 0.84 -0.75 4.56 5.12 3h0bB1 TYR 199 HB2 0.23 0.07 0.31 -0.04 3.06 3.63 3h0bB1 TYR 199 HB3 0.17 0.01 0.14 -0.04 2.98 3.27 3h0bB1 TYR 199 HD2 0.23 0.13 0.06 -0.04 7.15 7.52 3h0bB1 TYR 199 HE2 -0.00 -0.05 -0.20 -0.04 6.85 6.55 3h0bB1 GLU 200 H 0.21 0.37 -0.16 -0.55 8.60 8.48 3h0bB1 GLU 200 HA 0.10 0.26 0.68 -0.75 4.29 4.58 3h0bB1 GLU 200 HB2 0.14 -0.10 0.05 -0.04 2.09 2.14 3h0bB1 GLU 200 HB3 0.37 -0.10 0.19 -0.04 1.99 2.41 3h0bB1 GLU 200 HG2 0.19 0.12 -0.05 -0.04 2.34 2.57 3h0bB1 GLU 200 HG3 0.16 -0.06 0.15 -0.04 2.34 2.55 3h0bB1 VAL 201 H 0.10 0.76 0.44 -0.55 8.24 8.98 3h0bB1 VAL 201 HA 0.12 0.22 0.93 -0.75 4.13 4.65 3h0bB1 VAL 201 HB 0.07 -0.05 0.07 -0.04 2.12 2.16 3h0bB1 VAL 201 HG13 0.14 0.06 -0.27 -0.04 0.97 0.85 3h0bB1 VAL 201 HG23 0.05 -0.02 -0.26 -0.04 0.95 0.68 3h0bB1 ILE 202 H 0.05 0.24 0.14 -0.55 8.25 8.14 3h0bB1 ILE 202 HA 0.07 0.20 1.03 -0.75 4.18 4.73 3h0bB1 ILE 202 HB 0.05 -0.04 0.14 -0.04 1.89 2.00 3h0bB1 ILE 202 HG12 0.10 0.04 -0.08 -0.04 1.49 1.50 3h0bB1 ILE 202 HG13 0.10 -0.09 -0.43 -0.04 1.21 0.75 3h0bB1 ILE 202 HG23 0.06 0.03 -0.29 -0.04 0.93 0.69 3h0bB1 ILE 202 HD13 0.07 0.02 -0.04 -0.04 0.88 0.89 3h0bB1 ILE 203 H 0.05 0.20 0.04 -0.55 8.25 7.98 3h0bB1 ILE 203 HA -0.09 0.21 0.82 -0.75 4.18 4.36 3h0bB1 ILE 203 HB 0.05 0.01 0.03 -0.04 1.89 1.94 3h0bB1 ILE 203 HG12 -0.13 0.02 -0.09 -0.04 1.49 1.25 3h0bB1 ILE 203 HG13 -0.04 -0.07 -0.15 -0.04 1.21 0.91 3h0bB1 ILE 203 HG23 -0.21 -0.01 -0.13 -0.04 0.93 0.53 3h0bB1 ILE 203 HD13 -0.03 0.03 -0.05 -0.04 0.88 0.79 3h0bB1 VAL 204 H -0.06 0.77 0.32 -0.55 8.24 8.72 3h0bB1 VAL 204 HA 0.08 0.19 0.77 -0.75 4.13 4.41 3h0bB1 VAL 204 HB -0.00 -0.04 0.03 -0.04 2.12 2.07 3h0bB1 VAL 204 HG13 0.00 0.03 -0.16 -0.04 0.97 0.80 3h0bB1 VAL 204 HG23 -0.04 0.02 -0.36 -0.04 0.95 0.54 3h0bB1 ARG 205 H -0.11 0.22 0.05 -0.55 8.46 8.07 3h0bB1 ARG 205 HA -0.04 0.02 0.45 -0.75 4.34 4.02 3h0bB1 ARG 205 HB2 -0.23 0.27 0.06 -0.04 1.90 1.95 3h0bB1 ARG 205 HB3 -0.41 -0.08 -0.20 -0.04 1.80 1.06 3h0bB1 ARG 205 HG2 -0.38 -0.03 -0.46 -0.04 1.67 0.76 3h0bB1 ARG 205 HG3 -0.24 -0.05 0.02 -0.04 1.67 1.36 3h0bB1 ARG 205 HD2 -0.47 0.04 -0.05 -0.04 3.22 2.69 3h0bB1 ARG 205 HD3 -1.50 -0.02 -0.16 -0.04 3.22 1.50 3h0bB1 VAL 206 H -0.26 0.14 0.18 -0.55 8.24 7.75 3h0bB1 VAL 206 HA -0.17 0.36 1.10 -0.75 4.13 4.66 3h0bB1 VAL 206 HB -0.35 -0.10 0.07 -0.04 2.12 1.70 3h0bB1 VAL 206 HG13 -0.13 0.05 -0.08 -0.04 0.97 0.76 3h0bB1 VAL 206 HG23 -1.04 -0.00 -0.15 -0.04 0.95 -0.28 3h0bB1 GLU 207 H -0.04 0.69 0.30 -0.55 8.60 8.99 3h0bB1 GLU 207 HA -0.02 0.26 0.68 -0.75 4.29 4.45 3h0bB1 GLU 207 HB2 0.04 -0.06 -0.07 -0.04 2.09 1.95 3h0bB1 GLU 207 HB3 0.01 -0.11 -0.38 -0.04 1.99 1.47 3h0bB1 GLU 207 HG2 -0.03 0.06 -0.40 -0.04 2.34 1.92 3h0bB1 GLU 207 HG3 0.03 -0.09 -0.57 -0.04 2.34 1.67 3h0bB1 ILE 208 H -0.01 0.67 0.06 -0.55 8.25 8.42 3h0bB1 ILE 208 HA 0.02 0.25 0.97 -0.75 4.18 4.67 3h0bB1 ILE 208 HB -0.00 0.03 0.11 -0.04 1.89 1.99 3h0bB1 ILE 208 HG12 -0.02 -0.10 -0.22 -0.04 1.49 1.11 3h0bB1 ILE 208 HG13 -0.03 0.04 -0.03 -0.04 1.21 1.15 3h0bB1 ILE 208 HG23 0.03 0.02 -0.19 -0.04 0.93 0.75 3h0bB1 ILE 208 HD13 -0.03 0.04 -0.06 -0.04 0.88 0.79 3h0bB1 ASN 209 H 0.06 0.76 0.16 -0.55 8.53 8.96 3h0bB1 ASN 209 HA 0.05 -0.02 0.34 -0.75 4.76 4.38 3h0bB1 ASN 209 HB2 0.05 0.04 -0.28 -0.04 2.88 2.65 3h0bB1 ASN 209 HB3 0.04 0.03 0.33 -0.04 2.79 3.14 3h0bB1 ASN 209 HD21 0.08 0.13 -0.04 -0.04 7.03 7.16 3h0bB1 ASN 209 HD22 0.06 0.05 0.02 -0.04 7.74 7.83 3h0bB1 GLY 210 H 0.02 0.04 -0.42 -0.55 8.43 7.52 3h0bB1 GLY 210 HA2 0.01 -0.04 0.18 -0.51 4.01 3.65 3h0bB1 GLY 210 HA3 0.01 0.14 0.28 -0.51 4.01 3.94 3h0bB1 GLN 211 H 0.01 0.60 -0.78 -0.55 8.47 7.75 3h0bB1 GLN 211 HA -0.01 0.06 0.69 -0.75 4.36 4.35 3h0bB1 GLN 211 HB2 -0.01 0.00 0.05 -0.04 2.15 2.15 3h0bB1 GLN 211 HB3 -0.00 0.21 0.15 -0.04 2.02 2.34 3h0bB1 GLN 211 HG2 -0.01 -0.06 -0.18 -0.04 2.40 2.11 3h0bB1 GLN 211 HG3 -0.01 0.06 -0.22 -0.04 2.39 2.18 3h0bB1 GLN 211 HE21 -0.01 -0.02 -0.01 -0.04 6.97 6.88 3h0bB1 GLN 211 HE22 -0.01 0.05 0.01 -0.04 7.69 7.70 3h0bB1 ASP 212 H -0.03 0.17 0.19 -0.55 8.40 8.17 3h0bB1 ASP 212 HA -0.04 0.12 0.49 -0.75 4.63 4.45 3h0bB1 ASP 212 HB2 -0.07 0.05 0.14 -0.04 2.71 2.78 3h0bB1 ASP 212 HB3 -0.04 0.03 0.14 -0.04 2.70 2.80 3h0bB1 LEU 213 H -0.00 0.59 0.34 -0.55 8.37 8.75 3h0bB1 LEU 213 HA 0.01 0.14 0.42 -0.75 4.35 4.17 3h0bB1 LEU 213 HB2 0.02 0.04 0.03 -0.04 1.64 1.69 3h0bB1 LEU 213 HB3 0.21 -0.11 -0.07 -0.04 1.64 1.63 3h0bB1 LEU 213 HG 0.07 -0.01 -0.05 -0.04 1.64 1.60 3h0bB1 LEU 213 HD13 -0.01 0.02 -0.19 -0.04 0.93 0.72 3h0bB1 LEU 213 HD23 0.09 -0.01 -0.07 -0.04 0.89 0.86 3h0bB1 LYS 214 H 0.05 -0.02 -0.20 -0.55 8.42 7.70 3h0bB1 LYS 214 HA 0.01 -0.02 0.26 -0.75 4.32 3.82 3h0bB1 LYS 214 HB2 -0.01 0.05 -0.24 -0.04 1.87 1.63 3h0bB1 LYS 214 HB3 -0.01 0.16 -0.08 -0.04 1.79 1.82 3h0bB1 LYS 214 HG2 -0.02 -0.01 0.04 -0.04 1.46 1.43 3h0bB1 LYS 214 HG3 -0.02 -0.04 -0.03 -0.04 1.46 1.34 3h0bB1 LYS 214 HD2 -0.02 0.04 -0.02 -0.04 1.69 1.65 3h0bB1 LYS 214 HD3 -0.02 -0.03 -0.01 -0.04 1.68 1.58 3h0bB1 LYS 214 HE2 -0.03 -0.03 -0.01 -0.04 2.99 2.89 3h0bB1 LYS 214 HE3 -0.02 -0.00 -0.04 -0.04 2.99 2.89 3h0bB1 MET 215 H 0.07 0.06 -0.06 -0.55 8.47 7.99 3h0bB1 MET 215 HA -0.09 0.22 0.81 -0.75 4.52 4.71 3h0bB1 MET 215 HB2 -0.42 -0.07 -0.17 -0.04 2.15 1.45 3h0bB1 MET 215 HB3 -0.26 -0.03 -0.00 -0.04 2.03 1.70 3h0bB1 MET 215 HG2 -0.04 0.11 -0.12 -0.04 2.63 2.54 3h0bB1 MET 215 HG3 0.03 0.09 -0.50 -0.04 2.56 2.15 3h0bB1 MET 215 HE3 -0.10 -0.03 -0.14 -0.04 2.10 1.79 3h0bB1 ASP 216 H -0.14 0.16 0.10 -0.55 8.40 7.97 3h0bB1 ASP 216 HA -0.10 0.10 0.57 -0.75 4.63 4.45 3h0bB1 ASP 216 HB2 -0.09 0.08 0.16 -0.04 2.71 2.82 3h0bB1 ASP 216 HB3 -0.14 -0.06 0.16 -0.04 2.70 2.62 3h0bB1 CYS 217 H -0.08 0.22 0.20 -0.55 8.50 8.28 3h0bB1 CYS 217 HA -0.38 -0.01 0.19 -0.75 4.58 3.64 3h0bB1 CYS 217 HB2 0.18 0.09 0.14 -0.04 2.97 3.34 3h0bB1 CYS 217 HB3 0.09 0.09 0.10 -0.04 2.97 3.22 3h0bB1 LYS 218 H -0.08 -0.04 -0.64 -0.55 8.42 7.11 3h0bB1 LYS 218 HA 0.07 0.52 0.52 -0.75 4.32 4.67 3h0bB1 LYS 218 HB2 -0.02 -0.15 -0.01 -0.04 1.87 1.65 3h0bB1 LYS 218 HB3 0.06 -0.05 -0.12 -0.04 1.79 1.65 3h0bB1 LYS 218 HG2 0.13 0.12 -0.23 -0.04 1.46 1.44 3h0bB1 LYS 218 HG3 0.04 0.21 0.07 -0.04 1.46 1.74 3h0bB1 LYS 218 HD2 0.02 -0.11 0.01 -0.04 1.69 1.57 3h0bB1 LYS 218 HD3 0.09 -0.11 -0.02 -0.04 1.68 1.60 3h0bB1 LYS 218 HE2 0.02 -0.12 0.02 -0.04 2.99 2.87 3h0bB1 LYS 218 HE3 0.06 0.04 0.03 -0.04 2.99 3.08 3h0bB1 GLU 219 H -0.24 0.67 -0.16 -0.55 8.60 8.33 3h0bB1 GLU 219 HA -0.11 0.04 0.39 -0.75 4.29 3.86 3h0bB1 GLU 219 HB2 -0.41 0.06 -0.02 -0.04 2.09 1.67 3h0bB1 GLU 219 HB3 -0.13 -0.11 -0.01 -0.04 1.99 1.70 3h0bB1 GLU 219 HG2 -0.20 0.02 0.10 -0.04 2.34 2.22 3h0bB1 GLU 219 HG3 -0.18 -0.06 0.04 -0.04 2.34 2.10 3h0bB1 TYR 220 H -0.30 0.25 -0.41 -0.55 8.29 7.28 3h0bB1 TYR 220 HA 0.02 -0.01 0.36 -0.75 4.56 4.17 3h0bB1 TYR 220 HB2 0.01 0.37 0.04 -0.04 3.06 3.43 3h0bB1 TYR 220 HB3 -0.00 -0.08 -0.00 -0.04 2.98 2.86 3h0bB1 TYR 220 HD2 -0.01 0.11 -0.13 -0.04 7.15 7.08 3h0bB1 TYR 220 HE2 -0.03 0.04 -0.13 -0.04 6.85 6.69 3h0bB1 ASN 221 H 0.11 0.34 -0.52 -0.55 8.53 7.92 3h0bB1 ASN 221 HA 0.09 0.12 0.65 -0.75 4.76 4.87 3h0bB1 ASN 221 HB2 0.14 0.28 0.13 -0.04 2.88 3.40 3h0bB1 ASN 221 HB3 0.13 -0.10 0.17 -0.04 2.79 2.96 3h0bB1 ASN 221 HD21 0.12 0.42 0.08 -0.04 7.03 7.62 3h0bB1 ASN 221 HD22 0.12 0.30 -0.04 -0.04 7.74 8.08 3h0bB1 TYR 222 H 0.10 0.32 -0.36 -0.55 8.29 7.80 3h0bB1 TYR 222 HA -0.39 0.13 0.82 -0.75 4.56 4.36 3h0bB1 TYR 222 HB2 -0.28 0.17 0.00 -0.04 3.06 2.90 3h0bB1 TYR 222 HB3 -0.15 0.06 0.21 -0.04 2.98 3.05 3h0bB1 TYR 222 HD2 -1.03 -0.02 0.04 -0.04 7.15 6.10 3h0bB1 TYR 222 HE2 -0.14 -0.02 0.01 -0.04 6.85 6.65 3h0bB1 ASP 223 H -0.37 0.10 -0.05 -0.55 8.40 7.54 3h0bB1 ASP 223 HA -0.56 0.06 0.44 -0.75 4.63 3.81 3h0bB1 ASP 223 HB2 0.14 0.02 0.12 -0.04 2.71 2.95 3h0bB1 ASP 223 HB3 -0.44 -0.01 0.08 -0.04 2.70 2.28 3h0bB1 LYS 224 H -0.05 0.12 -0.33 -0.55 8.42 7.60 3h0bB1 LYS 224 HA 0.14 0.18 0.44 -0.75 4.32 4.33 3h0bB1 LYS 224 HB2 0.10 -0.05 0.07 -0.04 1.87 1.95 3h0bB1 LYS 224 HB3 0.24 0.20 -0.03 -0.04 1.79 2.16 3h0bB1 LYS 224 HG2 -0.07 -0.09 -0.29 -0.04 1.46 0.97 3h0bB1 LYS 224 HG3 -0.17 0.02 -0.31 -0.04 1.46 0.96 3h0bB1 LYS 224 HD2 -0.56 -0.07 -0.12 -0.04 1.69 0.90 3h0bB1 LYS 224 HD3 -0.07 0.00 -0.12 -0.04 1.68 1.46 3h0bB1 LYS 224 HE2 -0.66 -0.00 -0.10 -0.04 2.99 2.19 3h0bB1 LYS 224 HE3 -1.13 -0.06 -0.07 -0.04 2.99 1.69 3h0bB1 SER 225 H 0.08 0.29 0.26 -0.55 8.46 8.54 3h0bB1 SER 225 HA -0.01 0.31 0.98 -0.75 4.49 5.02 3h0bB1 SER 225 HB2 0.06 0.23 0.20 -0.04 3.95 4.39 3h0bB1 SER 225 HB3 0.02 -0.02 0.00 -0.04 3.93 3.89 3h0bB1 ILE 226 H -0.04 0.65 0.28 -0.55 8.25 8.59 3h0bB1 ILE 226 HA 0.05 0.30 0.98 -0.75 4.18 4.75 3h0bB1 ILE 226 HB -0.01 -0.05 -0.07 -0.04 1.89 1.73 3h0bB1 ILE 226 HG12 -0.15 0.20 0.04 -0.04 1.49 1.54 3h0bB1 ILE 226 HG13 -0.04 -0.10 -0.35 -0.04 1.21 0.67 3h0bB1 ILE 226 HG23 -0.40 -0.01 -0.29 -0.04 0.93 0.18 3h0bB1 ILE 226 HD13 -0.36 -0.00 -0.12 -0.04 0.88 0.36 3h0bB1 VAL 227 H 0.18 0.42 0.20 -0.55 8.24 8.48 3h0bB1 VAL 227 HA 0.12 0.20 0.94 -0.75 4.13 4.63 3h0bB1 VAL 227 HB 0.18 -0.04 0.18 -0.04 2.12 2.40 3h0bB1 VAL 227 HG13 0.06 0.00 -0.06 -0.04 0.97 0.93 3h0bB1 VAL 227 HG23 0.10 0.05 -0.07 -0.04 0.95 1.00 3h0bB1 ASP 228 H 0.11 0.60 -0.07 -0.55 8.40 8.49 3h0bB1 ASP 228 HA 0.14 0.10 0.84 -0.75 4.63 4.96 3h0bB1 ASP 228 HB2 0.06 0.07 -0.36 -0.04 2.71 2.44 3h0bB1 ASP 228 HB3 0.05 0.06 -0.09 -0.04 2.70 2.68 3h0bB1 SER 229 H 0.07 0.10 0.13 -0.55 8.46 8.21 3h0bB1 SER 229 HA 0.07 0.17 0.47 -0.75 4.49 4.44 3h0bB1 SER 229 HB2 -0.00 0.10 0.18 -0.04 3.95 4.19 3h0bB1 SER 229 HB3 0.01 0.04 0.10 -0.04 3.93 4.03 3h0bB1 GLY 230 H 0.03 -0.11 -0.47 -0.55 8.43 7.34 3h0bB1 GLY 230 HA2 -0.02 0.22 0.52 -0.51 4.01 4.22 3h0bB1 GLY 230 HA3 -0.02 -0.08 0.21 -0.51 4.01 3.61 3h0bB1 THR 231 H 0.05 0.40 -0.42 -0.55 8.28 7.76 3h0bB1 THR 231 HA 0.05 0.20 0.86 -0.75 4.39 4.75 3h0bB1 THR 231 HB 0.04 0.04 0.03 -0.04 4.32 4.39 3h0bB1 THR 231 HG23 0.03 0.01 -0.12 -0.04 1.22 1.10 3h0bB1 THR 232 H 0.05 0.20 0.10 -0.55 8.28 8.09 3h0bB1 THR 232 HA 0.07 0.04 0.47 -0.75 4.39 4.23 3h0bB1 THR 232 HB 0.04 0.01 0.16 -0.04 4.32 4.49 3h0bB1 THR 232 HG23 0.05 0.01 -0.07 -0.04 1.22 1.17 3h0bB1 ASN 233 H 0.03 0.03 0.01 -0.55 8.53 8.05 3h0bB1 ASN 233 HA 0.01 0.22 0.50 -0.75 4.76 4.74 3h0bB1 ASN 233 HB2 -0.01 -0.11 -0.09 -0.04 2.88 2.63 3h0bB1 ASN 233 HB3 -0.03 0.14 -0.08 -0.04 2.79 2.78 3h0bB1 ASN 233 HD21 -0.02 0.10 -0.11 -0.04 7.03 6.96 3h0bB1 ASN 233 HD22 -0.03 -0.06 -0.22 -0.04 7.74 7.38 3h0bB1 LEU 234 H -0.01 0.52 0.33 -0.55 8.37 8.67 3h0bB1 LEU 234 HA 0.03 0.17 0.95 -0.75 4.35 4.75 3h0bB1 LEU 234 HB2 0.04 -0.05 0.10 -0.04 1.64 1.68 3h0bB1 LEU 234 HB3 -0.01 0.04 0.23 -0.04 1.64 1.86 3h0bB1 LEU 234 HG 0.02 -0.01 -0.32 -0.04 1.64 1.29 3h0bB1 LEU 234 HD13 0.02 0.02 -0.06 -0.04 0.93 0.87 3h0bB1 LEU 234 HD23 -0.01 -0.00 -0.09 -0.04 0.89 0.75 3h0bB1 ARG 235 H 0.01 0.46 0.22 -0.55 8.46 8.59 3h0bB1 ARG 235 HA 0.00 0.33 0.94 -0.75 4.34 4.85 3h0bB1 ARG 235 HB2 -0.02 -0.10 0.07 -0.04 1.90 1.81 3h0bB1 ARG 235 HB3 -0.04 0.07 -0.17 -0.04 1.80 1.62 3h0bB1 ARG 235 HG2 -0.03 0.03 -0.25 -0.04 1.67 1.38 3h0bB1 ARG 235 HG3 -0.00 0.00 -0.22 -0.04 1.67 1.40 3h0bB1 ARG 235 HD2 -0.01 -0.04 -0.08 -0.04 3.22 3.05 3h0bB1 ARG 235 HD3 -0.02 -0.03 -0.08 -0.04 3.22 3.05 3h0bB1 LEU 236 H 0.05 0.69 0.33 -0.55 8.37 8.89 3h0bB1 LEU 236 HA 0.06 0.18 0.94 -0.75 4.35 4.78 3h0bB1 LEU 236 HB2 0.25 -0.02 -0.03 -0.04 1.64 1.79 3h0bB1 LEU 236 HB3 0.14 -0.04 -0.04 -0.04 1.64 1.65 3h0bB1 LEU 236 HG 0.08 -0.04 -0.57 -0.04 1.64 1.07 3h0bB1 LEU 236 HD13 0.11 0.00 -0.17 -0.04 0.93 0.83 3h0bB1 LEU 236 HD23 0.04 0.01 -0.10 -0.04 0.89 0.80 3h0bB1 PRO 237 HA 0.03 0.29 0.56 -0.51 4.44 4.81 3h0bB1 PRO 237 HB2 0.11 -0.23 0.05 -0.04 2.28 2.17 3h0bB1 PRO 237 HB3 0.14 0.08 0.21 -0.04 2.02 2.41 3h0bB1 PRO 237 HG2 0.10 0.28 0.14 -0.04 2.03 2.51 3h0bB1 PRO 237 HG3 0.03 0.18 0.06 -0.04 2.03 2.26 3h0bB1 PRO 237 HD2 0.10 0.06 0.19 -0.04 3.68 4.00 3h0bB1 PRO 237 HD3 0.04 0.17 -0.14 -0.04 3.65 3.68 3h0bB1 LYS 238 H 0.07 0.24 0.30 -0.55 8.42 8.47 3h0bB1 LYS 238 HA 0.11 0.09 0.40 -0.75 4.32 4.17 3h0bB1 LYS 238 HB2 0.05 0.09 0.22 -0.04 1.87 2.18 3h0bB1 LYS 238 HB3 0.07 -0.06 0.19 -0.04 1.79 1.94 3h0bB1 LYS 238 HG2 0.05 0.03 0.03 -0.04 1.46 1.53 3h0bB1 LYS 238 HG3 0.07 -0.00 -0.10 -0.04 1.46 1.39 3h0bB1 LYS 238 HD2 0.14 -0.07 0.16 -0.04 1.69 1.89 3h0bB1 LYS 238 HD3 0.02 0.03 0.05 -0.04 1.68 1.73 3h0bB1 LYS 238 HE2 0.11 -0.02 -0.01 -0.04 2.99 3.03 3h0bB1 LYS 238 HE3 0.14 0.03 0.01 -0.04 2.99 3.13 3h0bB1 LYS 239 H 0.07 0.13 -0.00 -0.55 8.42 8.07 3h0bB1 LYS 239 HA 0.05 0.09 0.43 -0.75 4.32 4.13 3h0bB1 LYS 239 HB2 0.01 -0.01 0.09 -0.04 1.87 1.91 3h0bB1 LYS 239 HB3 -0.01 0.04 -0.03 -0.04 1.79 1.75 3h0bB1 LYS 239 HG2 -0.01 0.04 0.05 -0.04 1.46 1.50 3h0bB1 LYS 239 HG3 0.01 -0.03 0.07 -0.04 1.46 1.47 3h0bB1 LYS 239 HD2 -0.08 0.00 0.04 -0.04 1.69 1.62 3h0bB1 LYS 239 HD3 -0.07 0.00 0.02 -0.04 1.68 1.60 3h0bB1 LYS 239 HE2 -0.04 0.02 0.02 -0.04 2.99 2.95 3h0bB1 LYS 239 HE3 -0.03 -0.00 0.03 -0.04 2.99 2.95 3h0bB1 VAL 240 H 0.09 0.09 -0.40 -0.55 8.24 7.48 3h0bB1 VAL 240 HA 0.10 0.03 0.32 -0.75 4.13 3.82 3h0bB1 VAL 240 HB 0.15 0.11 -0.03 -0.04 2.12 2.31 3h0bB1 VAL 240 HG13 0.22 -0.00 -0.11 -0.04 0.97 1.03 3h0bB1 VAL 240 HG23 0.12 -0.01 -0.19 -0.04 0.95 0.83 3h0bB1 PHE 241 H 0.24 0.87 -0.14 -0.55 8.34 8.75 3h0bB1 PHE 241 HA 0.04 -0.00 0.35 -0.75 4.62 4.26 3h0bB1 PHE 241 HB2 0.04 0.10 -0.02 -0.04 3.15 3.22 3h0bB1 PHE 241 HB3 0.04 0.03 0.09 -0.04 3.06 3.18 3h0bB1 PHE 241 HD2 0.05 0.00 -0.21 -0.04 7.28 7.09 3h0bB1 PHE 241 HE2 0.14 0.13 -0.20 -0.04 7.38 7.41 3h0bB1 PHE 241 HZ 0.24 0.31 0.10 -0.04 7.32 7.93 3h0bB1 GLU 242 H 0.19 0.65 -0.10 -0.55 8.60 8.80 3h0bB1 GLU 242 HA -0.06 0.01 0.40 -0.75 4.29 3.89 3h0bB1 GLU 242 HB2 0.06 0.14 0.21 -0.04 2.09 2.46 3h0bB1 GLU 242 HB3 0.00 -0.02 -0.03 -0.04 1.99 1.90 3h0bB1 GLU 242 HG2 0.06 -0.02 0.04 -0.04 2.34 2.38 3h0bB1 GLU 242 HG3 0.14 0.02 0.04 -0.04 2.34 2.50 3h0bB1 ALA 243 H -0.00 0.53 -0.11 -0.55 8.40 8.27 3h0bB1 ALA 243 HA -0.05 0.01 0.44 -0.75 4.34 3.97 3h0bB1 ALA 243 HB3 0.00 0.02 0.09 -0.04 1.41 1.48 3h0bB1 ALA 244 H -0.04 0.73 -0.04 -0.55 8.40 8.50 3h0bB1 ALA 244 HA -0.06 -0.03 0.37 -0.75 4.34 3.86 3h0bB1 ALA 244 HB3 -0.06 0.01 0.05 -0.04 1.41 1.36 3h0bB1 VAL 245 H -0.34 0.74 -0.15 -0.55 8.24 7.94 3h0bB1 VAL 245 HA -0.34 -0.00 0.38 -0.75 4.13 3.42 3h0bB1 VAL 245 HB -0.49 0.11 0.14 -0.04 2.12 1.84 3h0bB1 VAL 245 HG13 -0.55 -0.02 -0.13 -0.04 0.97 0.22 3h0bB1 VAL 245 HG23 -0.79 0.02 0.02 -0.04 0.95 0.16 3h0bB1 LYS 246 H -0.22 0.63 -0.06 -0.55 8.42 8.20 3h0bB1 LYS 246 HA -0.25 -0.01 0.51 -0.75 4.32 3.81 3h0bB1 LYS 246 HB2 -0.13 0.00 0.15 -0.04 1.87 1.85 3h0bB1 LYS 246 HB3 -0.11 0.16 0.22 -0.04 1.79 2.02 3h0bB1 LYS 246 HG2 -0.09 0.00 -0.17 -0.04 1.46 1.16 3h0bB1 LYS 246 HG3 -0.11 -0.05 0.06 -0.04 1.46 1.32 3h0bB1 LYS 246 HD2 -0.06 -0.02 0.01 -0.04 1.69 1.57 3h0bB1 LYS 246 HD3 -0.06 0.01 0.00 -0.04 1.68 1.60 3h0bB1 LYS 246 HE2 -0.04 0.00 -0.01 -0.04 2.99 2.89 3h0bB1 LYS 246 HE3 -0.06 -0.01 -0.00 -0.04 2.99 2.88 3h0bB1 SER 247 H -0.14 0.58 -0.17 -0.55 8.46 8.18 3h0bB1 SER 247 HA -0.07 -0.00 0.42 -0.75 4.49 4.08 3h0bB1 SER 247 HB2 -0.05 0.01 0.07 -0.04 3.95 3.93 3h0bB1 SER 247 HB3 -0.06 0.11 0.15 -0.04 3.93 4.08 3h0bB1 ILE 248 H -0.15 0.73 0.05 -0.55 8.25 8.33 3h0bB1 ILE 248 HA 0.05 0.01 0.46 -0.75 4.18 3.95 3h0bB1 ILE 248 HB -0.21 0.04 0.09 -0.04 1.89 1.78 3h0bB1 ILE 248 HG12 0.03 -0.05 -0.02 -0.04 1.49 1.41 3h0bB1 ILE 248 HG13 -0.05 0.26 0.08 -0.04 1.21 1.46 3h0bB1 ILE 248 HG23 0.45 -0.01 -0.08 -0.04 0.93 1.25 3h0bB1 ILE 248 HD13 0.05 -0.03 -0.13 -0.04 0.88 0.72 3h0bB1 LYS 249 H -0.41 0.56 -0.31 -0.55 8.42 7.70 3h0bB1 LYS 249 HA -0.24 0.02 0.46 -0.75 4.32 3.80 3h0bB1 LYS 249 HB2 -0.42 0.18 0.27 -0.04 1.87 1.86 3h0bB1 LYS 249 HB3 -0.24 -0.07 -0.00 -0.04 1.79 1.44 3h0bB1 LYS 249 HG2 -0.54 -0.06 0.03 -0.04 1.46 0.84 3h0bB1 LYS 249 HG3 -2.07 -0.01 0.03 -0.04 1.46 -0.63 3h0bB1 LYS 249 HD2 -0.73 0.03 -0.13 -0.04 1.69 0.81 3h0bB1 LYS 249 HD3 -0.37 -0.03 0.00 -0.04 1.68 1.24 3h0bB1 LYS 249 HE2 -1.30 -0.03 -0.02 -0.04 2.99 1.59 3h0bB1 LYS 249 HE3 -0.25 -0.05 -0.02 -0.04 2.99 2.63 3h0bB1 ALA 250 H -0.12 0.58 0.01 -0.55 8.40 8.33 3h0bB1 ALA 250 HA -0.04 -0.03 0.41 -0.75 4.34 3.92 3h0bB1 ALA 250 HB3 -0.05 0.01 0.14 -0.04 1.41 1.47 3h0bB1 ALA 251 H -0.01 0.62 -0.12 -0.55 8.40 8.35 3h0bB1 ALA 251 HA 0.01 -0.05 0.34 -0.75 4.34 3.89 3h0bB1 ALA 251 HB3 0.06 -0.00 0.11 -0.04 1.41 1.54 3h0bB1 SER 252 H 0.06 0.37 -0.54 -0.55 8.46 7.80 3h0bB1 SER 252 HA -0.06 0.30 0.99 -0.75 4.49 4.97 3h0bB1 SER 252 HB2 -0.11 -0.16 0.15 -0.04 3.95 3.79 3h0bB1 SER 252 HB3 -0.11 0.02 -0.01 -0.04 3.93 3.79 3h0bB1 SER 253 H -0.01 0.48 -0.16 -0.55 8.46 8.23 3h0bB1 SER 253 HA -0.02 0.09 0.20 -0.75 4.49 4.00 3h0bB1 SER 253 HB2 -0.03 -0.12 0.09 -0.04 3.95 3.86 3h0bB1 SER 253 HB3 -0.02 0.02 0.15 -0.04 3.93 4.03 3h0bB1 THR 254 H -0.05 0.12 -0.54 -0.55 8.28 7.26 3h0bB1 THR 254 HA -0.05 0.01 0.47 -0.75 4.39 4.06 3h0bB1 THR 254 HB -0.05 -0.04 -0.02 -0.04 4.32 4.17 3h0bB1 THR 254 HG23 -0.04 -0.02 0.03 -0.04 1.22 1.16 3h0bB1 GLU 255 H -0.14 0.59 -0.05 -0.55 8.60 8.45 3h0bB1 GLU 255 HA -0.17 0.10 0.82 -0.75 4.29 4.28 3h0bB1 GLU 255 HB2 -0.18 0.04 0.04 -0.04 2.09 1.94 3h0bB1 GLU 255 HB3 -0.29 -0.01 -0.01 -0.04 1.99 1.64 3h0bB1 GLU 255 HG2 -0.01 0.05 -0.01 -0.04 2.34 2.33 3h0bB1 GLU 255 HG3 -0.02 -0.06 -0.26 -0.04 2.34 1.95 3h0bB1 LYS 256 H -0.29 0.11 0.11 -0.55 8.42 7.80 3h0bB1 LYS 256 HA -0.30 0.24 0.98 -0.75 4.32 4.48 3h0bB1 LYS 256 HB2 -0.12 -0.04 0.08 -0.04 1.87 1.75 3h0bB1 LYS 256 HB3 -0.06 -0.02 -0.05 -0.04 1.79 1.61 3h0bB1 LYS 256 HG2 -0.02 0.01 -0.01 -0.04 1.46 1.40 3h0bB1 LYS 256 HG3 -0.09 0.14 -0.24 -0.04 1.46 1.22 3h0bB1 LYS 256 HD2 -0.03 0.03 -0.03 -0.04 1.69 1.62 3h0bB1 LYS 256 HD3 -0.05 -0.03 -0.03 -0.04 1.68 1.54 3h0bB1 LYS 256 HE2 -0.01 -0.04 -0.04 -0.04 2.99 2.87 3h0bB1 LYS 256 HE3 0.01 0.01 -0.02 -0.04 2.99 2.95 3h0bB1 PHE 257 H 0.10 0.23 0.15 -0.55 8.34 8.26 3h0bB1 PHE 257 HA -0.14 0.22 0.93 -0.75 4.62 4.87 3h0bB1 PHE 257 HB2 -0.32 -0.03 -0.04 -0.04 3.15 2.72 3h0bB1 PHE 257 HB3 -0.63 0.01 0.03 -0.04 3.06 2.42 3h0bB1 PHE 257 HD2 -0.08 -0.00 -0.08 -0.04 7.28 7.08 3h0bB1 PHE 257 HE2 0.09 0.03 -0.10 -0.04 7.38 7.36 3h0bB1 PHE 257 HZ 0.25 -0.00 -0.11 -0.04 7.32 7.41 3h0bB1 PRO 258 HA 0.12 0.08 0.51 -0.51 4.44 4.64 3h0bB1 PRO 258 HB2 0.08 -0.13 0.06 -0.04 2.28 2.25 3h0bB1 PRO 258 HB3 0.05 0.11 0.14 -0.04 2.02 2.28 3h0bB1 PRO 258 HG2 0.06 -0.06 0.15 -0.04 2.03 2.14 3h0bB1 PRO 258 HG3 0.01 0.13 0.13 -0.04 2.03 2.25 3h0bB1 PRO 258 HD2 0.03 0.15 0.27 -0.04 3.68 4.08 3h0bB1 PRO 258 HD3 0.02 0.22 0.21 -0.04 3.65 4.05 3h0bB1 ASP 259 H 0.18 0.20 0.21 -0.55 8.40 8.44 3h0bB1 ASP 259 HA 0.45 0.12 0.33 -0.75 4.63 4.78 3h0bB1 ASP 259 HB2 0.14 -0.03 0.08 -0.04 2.71 2.86 3h0bB1 ASP 259 HB3 0.17 0.04 0.05 -0.04 2.70 2.92 3h0bB1 GLY 260 H 0.13 0.00 -0.71 -0.55 8.43 7.32 3h0bB1 GLY 260 HA2 0.11 0.11 0.38 -0.51 4.01 4.11 3h0bB1 GLY 260 HA3 0.09 0.05 0.22 -0.51 4.01 3.87 3h0bB1 PHE 261 H 0.16 0.89 -0.05 -0.55 8.34 8.79 3h0bB1 PHE 261 HA -0.09 0.10 0.54 -0.75 4.62 4.42 3h0bB1 PHE 261 HB2 -0.23 0.06 -0.01 -0.04 3.15 2.93 3h0bB1 PHE 261 HB3 -0.37 0.15 0.05 -0.04 3.06 2.85 3h0bB1 PHE 261 HD2 -1.27 0.04 -0.21 -0.04 7.28 5.80 3h0bB1 PHE 261 HE2 -1.47 0.03 -0.18 -0.04 7.38 5.72 3h0bB1 PHE 261 HZ -0.48 0.02 -0.14 -0.04 7.32 6.68 3h0bB1 TRP 262 H 0.08 0.23 -0.20 -0.55 7.97 7.53 3h0bB1 TRP 262 HA -0.63 0.09 0.38 -0.75 4.62 3.70 3h0bB1 TRP 262 HB2 0.03 0.08 0.05 -0.04 3.23 3.35 3h0bB1 TRP 262 HB3 -0.12 -0.00 0.11 -0.04 3.23 3.18 3h0bB1 TRP 262 HD1 0.15 -0.06 -0.12 -0.04 7.22 7.15 3h0bB1 TRP 262 HE1 0.27 0.01 -0.04 -0.04 10.20 10.41 3h0bB1 TRP 262 HE3 -1.56 0.00 -0.00 -0.04 7.59 5.99 3h0bB1 TRP 262 HZ2 0.52 0.08 -0.05 -0.04 7.44 7.95 3h0bB1 TRP 262 HZ3 -0.36 -0.02 -0.09 -0.04 7.13 6.62 3h0bB1 TRP 262 HH2 0.43 0.10 -0.15 -0.04 7.19 7.53 3h0bB1 LEU 263 H 0.13 0.07 -0.88 -0.55 8.37 7.14 3h0bB1 LEU 263 HA 0.28 0.18 0.88 -0.75 4.35 4.94 3h0bB1 LEU 263 HB2 0.12 -0.02 0.08 -0.04 1.64 1.79 3h0bB1 LEU 263 HB3 0.11 -0.03 0.15 -0.04 1.64 1.83 3h0bB1 LEU 263 HG 0.23 0.19 -0.09 -0.04 1.64 1.93 3h0bB1 LEU 263 HD13 0.12 -0.05 -0.06 -0.04 0.93 0.89 3h0bB1 LEU 263 HD23 0.22 0.01 -0.04 -0.04 0.89 1.05 3h0bB1 GLY 264 H 0.04 0.42 -0.12 -0.55 8.43 8.21 3h0bB1 GLY 264 HA2 0.01 0.04 0.41 -0.51 4.01 3.97 3h0bB1 GLY 264 HA3 0.05 0.07 0.45 -0.51 4.01 4.07 3h0bB1 GLU 265 H 0.05 0.30 -0.05 -0.55 8.60 8.36 3h0bB1 GLU 265 HA 0.03 0.16 0.73 -0.75 4.29 4.46 3h0bB1 GLU 265 HB2 0.05 -0.09 0.04 -0.04 2.09 2.04 3h0bB1 GLU 265 HB3 0.04 -0.04 0.05 -0.04 1.99 1.99 3h0bB1 GLU 265 HG2 0.04 0.12 -0.17 -0.04 2.34 2.30 3h0bB1 GLU 265 HG3 0.07 -0.03 -0.11 -0.04 2.34 2.23 3h0bB1 GLN 266 H 0.05 0.22 -0.05 -0.55 8.47 8.15 3h0bB1 GLN 266 HA 0.03 0.20 0.84 -0.75 4.36 4.67 3h0bB1 GLN 266 HB2 0.09 -0.02 -0.14 -0.04 2.15 2.03 3h0bB1 GLN 266 HB3 0.03 0.01 0.13 -0.04 2.02 2.15 3h0bB1 GLN 266 HG2 0.04 0.09 -0.16 -0.04 2.40 2.33 3h0bB1 GLN 266 HG3 0.06 -0.13 -0.20 -0.04 2.39 2.09 3h0bB1 GLN 266 HE21 0.02 -0.02 0.03 -0.04 6.97 6.96 3h0bB1 GLN 266 HE22 0.01 0.09 0.04 -0.04 7.69 7.80 3h0bB1 LEU 267 H 0.01 0.06 0.13 -0.55 8.37 8.02 3h0bB1 LEU 267 HA 0.09 0.40 0.98 -0.75 4.35 5.07 3h0bB1 LEU 267 HB2 -0.03 -0.08 -0.01 -0.04 1.64 1.48 3h0bB1 LEU 267 HB3 -0.03 -0.07 0.08 -0.04 1.64 1.58 3h0bB1 LEU 267 HG 0.00 -0.04 -0.14 -0.04 1.64 1.42 3h0bB1 LEU 267 HD13 -0.03 -0.01 -0.12 -0.04 0.93 0.73 3h0bB1 LEU 267 HD23 0.04 0.05 -0.36 -0.04 0.89 0.57 3h0bB1 VAL 268 H -0.02 0.40 0.31 -0.55 8.24 8.38 3h0bB1 VAL 268 HA -0.37 0.10 0.67 -0.75 4.13 3.77 3h0bB1 VAL 268 HB -0.42 0.00 0.03 -0.04 2.12 1.68 3h0bB1 VAL 268 HG13 -1.38 0.01 -0.16 -0.04 0.97 -0.60 3h0bB1 VAL 268 HG23 -1.05 -0.00 -0.17 -0.04 0.95 -0.32 3h0bB1 CYS 269 H -0.56 0.21 0.14 -0.55 8.50 7.74 3h0bB1 CYS 269 HA -0.18 0.40 1.10 -0.75 4.58 5.14 3h0bB1 CYS 269 HB2 -0.20 -0.02 -0.04 -0.04 2.97 2.66 3h0bB1 CYS 269 HB3 -0.12 -0.00 -0.15 -0.04 2.97 2.66 3h0bB1 TRP 270 H 0.15 0.53 0.23 -0.55 7.97 8.34 3h0bB1 TRP 270 HA -0.01 0.14 0.74 -0.75 4.62 4.73 3h0bB1 TRP 270 HB2 -0.01 -0.03 -0.09 -0.04 3.23 3.05 3h0bB1 TRP 270 HB3 -0.03 0.06 -0.16 -0.04 3.23 3.07 3h0bB1 TRP 270 HD1 -0.01 -0.03 0.05 -0.04 7.22 7.19 3h0bB1 TRP 270 HE1 0.05 -0.00 -0.01 -0.04 10.20 10.19 3h0bB1 TRP 270 HE3 0.11 0.07 -0.18 -0.04 7.59 7.55 3h0bB1 TRP 270 HZ2 0.37 0.03 -0.10 -0.04 7.44 7.70 3h0bB1 TRP 270 HZ3 -0.13 0.02 -0.20 -0.04 7.13 6.78 3h0bB1 TRP 270 HH2 -0.19 0.02 -0.16 -0.04 7.19 6.82 3h0bB1 GLN 271 H 0.19 0.16 0.10 -0.55 8.47 8.37 3h0bB1 GLN 271 HA 0.06 0.06 0.49 -0.75 4.36 4.22 3h0bB1 GLN 271 HB2 0.10 -0.03 0.17 -0.04 2.15 2.35 3h0bB1 GLN 271 HB3 0.07 0.10 -0.01 -0.04 2.02 2.14 3h0bB1 GLN 271 HG2 0.04 0.07 0.06 -0.04 2.40 2.53 3h0bB1 GLN 271 HG3 0.04 -0.03 0.08 -0.04 2.39 2.44 3h0bB1 GLN 271 HE21 0.03 -0.01 0.02 -0.04 6.97 6.97 3h0bB1 GLN 271 HE22 0.03 -0.01 0.02 -0.04 7.69 7.68 3h0bB1 ALA 272 H 0.05 0.40 0.35 -0.55 8.40 8.65 3h0bB1 ALA 272 HA 0.07 -0.09 0.36 -0.75 4.34 3.92 3h0bB1 ALA 272 HB3 0.03 0.04 0.03 -0.04 1.41 1.47 3h0bB1 GLY 273 H 0.09 0.07 0.19 -0.55 8.43 8.23 3h0bB1 GLY 273 HA2 0.09 -0.00 0.37 -0.51 4.01 3.95 3h0bB1 GLY 273 HA3 0.06 0.10 0.39 -0.51 4.01 4.05 3h0bB1 THR 274 H 0.06 0.36 -0.18 -0.55 8.28 7.96 3h0bB1 THR 274 HA -0.02 0.23 0.93 -0.75 4.39 4.77 3h0bB1 THR 274 HB 0.01 -0.05 0.11 -0.04 4.32 4.34 3h0bB1 THR 274 HG23 0.05 0.09 -0.25 -0.04 1.22 1.07 3h0bB1 THR 275 H -0.16 0.02 -0.14 -0.55 8.28 7.46 3h0bB1 THR 275 HA -1.02 0.11 0.34 -0.75 4.39 3.07 3h0bB1 THR 275 HB -1.45 -0.05 0.03 -0.04 4.32 2.81 3h0bB1 THR 275 HG23 -1.93 0.01 -0.21 -0.04 1.22 -0.94 3h0bB1 PRO 276 HA -0.29 0.08 0.44 -0.51 4.44 4.16 3h0bB1 PRO 276 HB2 -0.25 -0.05 0.19 -0.04 2.28 2.14 3h0bB1 PRO 276 HB3 -0.31 0.07 0.12 -0.04 2.02 1.87 3h0bB1 PRO 276 HG2 -0.74 0.03 -0.01 -0.04 2.03 1.27 3h0bB1 PRO 276 HG3 -0.57 0.06 0.05 -0.04 2.03 1.52 3h0bB1 PRO 276 HD2 -3.00 0.05 0.09 -0.04 3.68 0.78 3h0bB1 PRO 276 HD3 -1.90 0.25 0.21 -0.04 3.65 2.17 3h0bB1 TRP 277 H -0.38 0.55 -0.10 -0.55 7.97 7.50 3h0bB1 TRP 277 HA -0.02 0.05 0.19 -0.75 4.62 4.09 3h0bB1 TRP 277 HB2 -0.01 -0.04 0.08 -0.04 3.23 3.23 3h0bB1 TRP 277 HB3 -0.02 -0.03 -0.02 -0.04 3.23 3.12 3h0bB1 TRP 277 HD1 -0.04 -0.00 0.04 -0.04 7.22 7.18 3h0bB1 TRP 277 HE1 -0.04 0.01 -0.03 -0.04 10.20 10.10 3h0bB1 TRP 277 HE3 -0.26 -0.04 -0.15 -0.04 7.59 7.10 3h0bB1 TRP 277 HZ2 -0.00 0.02 -0.05 -0.04 7.44 7.37 3h0bB1 TRP 277 HZ3 -0.50 0.11 -0.39 -0.04 7.13 6.30 3h0bB1 TRP 277 HH2 -0.40 0.14 -0.08 -0.04 7.19 6.81 3h0bB1 ASN 278 H 0.14 0.05 -0.28 -0.55 8.53 7.89 3h0bB1 ASN 278 HA 0.15 0.10 0.20 -0.75 4.76 4.46 3h0bB1 ASN 278 HB2 0.01 0.03 0.04 -0.04 2.88 2.93 3h0bB1 ASN 278 HB3 0.07 -0.08 0.05 -0.04 2.79 2.79 3h0bB1 ASN 278 HD21 -0.04 -0.01 -0.14 -0.04 7.03 6.80 3h0bB1 ASN 278 HD22 -0.02 0.05 -0.40 -0.04 7.74 7.33 3h0bB1 ILE 279 H -0.01 0.30 -0.28 -0.55 8.25 7.72 3h0bB1 ILE 279 HA -0.03 0.07 0.51 -0.75 4.18 3.97 3h0bB1 ILE 279 HB -0.14 -0.03 0.15 -0.04 1.89 1.83 3h0bB1 ILE 279 HG12 -0.32 0.30 0.04 -0.04 1.49 1.46 3h0bB1 ILE 279 HG13 -0.78 0.03 -0.34 -0.04 1.21 0.08 3h0bB1 ILE 279 HG23 -0.09 -0.03 0.02 -0.04 0.93 0.79 3h0bB1 ILE 279 HD13 -0.13 -0.03 -0.00 -0.04 0.88 0.67 3h0bB1 PHE 280 H 0.24 0.34 -0.28 -0.55 8.34 8.09 3h0bB1 PHE 280 HA 0.25 0.16 0.70 -0.75 4.62 4.98 3h0bB1 PHE 280 HB2 0.19 0.11 0.14 -0.04 3.15 3.54 3h0bB1 PHE 280 HB3 0.37 -0.01 -0.02 -0.04 3.06 3.37 3h0bB1 PHE 280 HD2 0.21 0.06 -0.08 -0.04 7.28 7.43 3h0bB1 PHE 280 HE2 -0.05 -0.04 -0.13 -0.04 7.38 7.12 3h0bB1 PHE 280 HZ -0.21 -0.04 -0.13 -0.04 7.32 6.90 3h0bB1 PRO 281 HA 0.18 0.09 0.43 -0.51 4.44 4.63 3h0bB1 PRO 281 HB2 0.13 -0.01 -0.01 -0.04 2.28 2.35 3h0bB1 PRO 281 HB3 0.12 0.07 0.03 -0.04 2.02 2.21 3h0bB1 PRO 281 HG2 0.24 -0.04 -0.04 -0.04 2.03 2.15 3h0bB1 PRO 281 HG3 0.16 0.04 0.04 -0.04 2.03 2.23 3h0bB1 PRO 281 HD2 0.61 0.02 0.17 -0.04 3.68 4.43 3h0bB1 PRO 281 HD3 0.28 0.27 0.17 -0.04 3.65 4.33 3h0bB1 VAL 282 H 0.14 0.05 0.20 -0.55 8.24 8.07 3h0bB1 VAL 282 HA 0.22 0.21 0.83 -0.75 4.13 4.63 3h0bB1 VAL 282 HB 0.08 0.11 0.03 -0.04 2.12 2.30 3h0bB1 VAL 282 HG13 0.09 0.01 -0.01 -0.04 0.97 1.02 3h0bB1 VAL 282 HG23 0.06 -0.04 -0.09 -0.04 0.95 0.84 3h0bB1 ILE 283 H 0.14 0.58 0.24 -0.55 8.25 8.66 3h0bB1 ILE 283 HA 0.03 0.24 1.13 -0.75 4.18 4.83 3h0bB1 ILE 283 HB 0.08 -0.06 0.08 -0.04 1.89 1.96 3h0bB1 ILE 283 HG12 -0.02 0.03 -0.12 -0.04 1.49 1.34 3h0bB1 ILE 283 HG13 0.11 0.02 -0.54 -0.04 1.21 0.75 3h0bB1 ILE 283 HG23 -0.03 0.00 -0.15 -0.04 0.93 0.71 3h0bB1 ILE 283 HD13 -0.32 -0.00 -0.12 -0.04 0.88 0.39 3h0bB1 SER 284 H -0.02 0.53 0.28 -0.55 8.46 8.70 3h0bB1 SER 284 HA -0.10 0.43 1.18 -0.75 4.49 5.25 3h0bB1 SER 284 HB2 -0.06 -0.12 0.01 -0.04 3.95 3.75 3h0bB1 SER 284 HB3 -0.31 0.02 -0.15 -0.04 3.93 3.45 3h0bB1 LEU 285 H -0.22 0.65 0.37 -0.55 8.37 8.63 3h0bB1 LEU 285 HA -0.17 0.17 1.00 -0.75 4.35 4.60 3h0bB1 LEU 285 HB2 -0.27 -0.01 0.17 -0.04 1.64 1.49 3h0bB1 LEU 285 HB3 -0.22 0.01 0.01 -0.04 1.64 1.40 3h0bB1 LEU 285 HG -0.10 0.02 -0.16 -0.04 1.64 1.36 3h0bB1 LEU 285 HD13 -0.10 -0.00 -0.06 -0.04 0.93 0.73 3h0bB1 LEU 285 HD23 -0.14 0.04 -0.06 -0.04 0.89 0.69 3h0bB1 TYR 286 H 0.00 0.91 0.33 -0.55 8.29 8.97 3h0bB1 TYR 286 HA -0.36 0.24 0.94 -0.75 4.56 4.63 3h0bB1 TYR 286 HB2 -0.23 -0.08 0.11 -0.04 3.06 2.82 3h0bB1 TYR 286 HB3 -0.24 0.02 -0.12 -0.04 2.98 2.60 3h0bB1 TYR 286 HD2 -0.29 0.07 -0.31 -0.04 7.15 6.57 3h0bB1 TYR 286 HE2 -1.12 -0.01 -0.24 -0.04 6.85 5.43 3h0bB1 LEU 287 H -0.71 0.86 0.44 -0.55 8.37 8.41 3h0bB1 LEU 287 HA -0.26 0.15 1.03 -0.75 4.35 4.51 3h0bB1 LEU 287 HB2 -1.48 0.01 0.03 -0.04 1.64 0.17 3h0bB1 LEU 287 HB3 -0.39 0.08 0.03 -0.04 1.64 1.33 3h0bB1 LEU 287 HG -0.56 -0.02 -0.27 -0.04 1.64 0.75 3h0bB1 LEU 287 HD13 -0.67 0.01 -0.10 -0.04 0.93 0.12 3h0bB1 LEU 287 HD23 -0.21 -0.01 -0.18 -0.04 0.89 0.45 3h0bB1 MET 288 H -0.09 0.51 0.33 -0.55 8.47 8.67 3h0bB1 MET 288 HA -0.00 -0.07 0.53 -0.75 4.52 4.22 3h0bB1 MET 288 HB2 0.02 -0.03 0.14 -0.04 2.15 2.25 3h0bB1 MET 288 HB3 0.04 -0.03 0.23 -0.04 2.03 2.22 3h0bB1 MET 288 HG2 0.08 0.36 -0.12 -0.04 2.63 2.92 3h0bB1 MET 288 HG3 0.06 -0.14 0.07 -0.04 2.56 2.50 3h0bB1 MET 288 HE3 0.04 -0.06 -0.21 -0.04 2.10 1.83 3h0bB1 GLY 289 H 0.10 0.21 0.43 -0.55 8.43 8.62 3h0bB1 GLY 289 HA2 0.42 0.18 0.65 -0.51 4.01 4.76 3h0bB1 GLY 289 HA3 0.27 0.08 0.43 -0.51 4.01 4.28 3h0bB1 GLU 290 H 0.25 0.08 0.22 -0.55 8.60 8.60 3h0bB1 GLU 290 HA 0.12 0.16 0.64 -0.75 4.29 4.46 3h0bB1 GLU 290 HB2 0.11 -0.07 0.11 -0.04 2.09 2.21 3h0bB1 GLU 290 HB3 0.06 -0.01 0.03 -0.04 1.99 2.02 3h0bB1 GLU 290 HG2 0.18 0.15 -0.18 -0.04 2.34 2.45 3h0bB1 GLU 290 HG3 0.14 -0.08 -0.00 -0.04 2.34 2.36 3h0bB1 VAL 291 H 0.15 0.02 0.03 -0.55 8.24 7.89 3h0bB1 VAL 291 HA 0.06 0.16 0.78 -0.75 4.13 4.38 3h0bB1 VAL 291 HB 0.12 -0.04 0.08 -0.04 2.12 2.23 3h0bB1 VAL 291 HG13 0.07 0.02 -0.14 -0.04 0.97 0.88 3h0bB1 VAL 291 HG23 0.05 0.00 -0.03 -0.04 0.95 0.94 3h0bB1 THR 292 H 0.05 0.12 0.14 -0.55 8.28 8.04 3h0bB1 THR 292 HA 0.05 0.03 0.32 -0.75 4.39 4.04 3h0bB1 THR 292 HB 0.04 0.02 0.05 -0.04 4.32 4.38 3h0bB1 THR 292 HG23 0.03 -0.00 0.05 -0.04 1.22 1.26 3h0bB1 ASN 293 H 0.05 0.07 0.25 -0.55 8.53 8.35 3h0bB1 ASN 293 HA 0.04 0.26 0.55 -0.75 4.76 4.86 3h0bB1 ASN 293 HB2 0.04 0.24 -0.09 -0.04 2.88 3.03 3h0bB1 ASN 293 HB3 0.04 -0.08 0.20 -0.04 2.79 2.91 3h0bB1 ASN 293 HD21 0.02 -0.03 -0.01 -0.04 7.03 6.97 3h0bB1 ASN 293 HD22 0.03 0.06 -0.06 -0.04 7.74 7.73 3h0bB1 GLN 294 H 0.09 0.39 -0.20 -0.55 8.47 8.21 3h0bB1 GLN 294 HA 0.11 0.23 0.96 -0.75 4.36 4.90 3h0bB1 GLN 294 HB2 0.11 0.04 -0.15 -0.04 2.15 2.10 3h0bB1 GLN 294 HB3 0.13 0.07 -0.02 -0.04 2.02 2.17 3h0bB1 GLN 294 HG2 0.18 0.04 0.05 -0.04 2.40 2.63 3h0bB1 GLN 294 HG3 0.20 -0.02 -0.02 -0.04 2.39 2.52 3h0bB1 GLN 294 HE21 0.60 -0.05 -0.15 -0.04 6.97 7.34 3h0bB1 GLN 294 HE22 0.33 0.31 -0.25 -0.04 7.69 8.04 3h0bB1 SER 295 H 0.16 0.56 0.34 -0.55 8.46 8.97 3h0bB1 SER 295 HA 0.11 0.20 1.00 -0.75 4.49 5.05 3h0bB1 SER 295 HB2 -0.01 0.16 0.05 -0.04 3.95 4.11 3h0bB1 SER 295 HB3 0.05 -0.09 -0.10 -0.04 3.93 3.75 3h0bB1 PHE 296 H -0.34 0.60 0.31 -0.55 8.34 8.36 3h0bB1 PHE 296 HA -0.08 0.08 0.62 -0.75 4.62 4.49 3h0bB1 PHE 296 HB2 -0.96 0.17 0.05 -0.04 3.15 2.36 3h0bB1 PHE 296 HB3 -0.61 -0.04 -0.08 -0.04 3.06 2.29 3h0bB1 PHE 296 HD2 -0.10 0.00 -0.33 -0.04 7.28 6.81 3h0bB1 PHE 296 HE2 -0.13 0.11 -0.43 -0.04 7.38 6.89 3h0bB1 PHE 296 HZ 0.05 0.03 -0.22 -0.04 7.32 7.14 3h0bB1 ARG 297 H -0.08 0.66 0.33 -0.55 8.46 8.82 3h0bB1 ARG 297 HA -0.59 0.32 1.30 -0.75 4.34 4.62 3h0bB1 ARG 297 HB2 -0.92 0.01 -0.18 -0.04 1.90 0.76 3h0bB1 ARG 297 HB3 -2.16 -0.06 -0.22 -0.04 1.80 -0.68 3h0bB1 ARG 297 HG2 -0.46 0.01 -0.08 -0.04 1.67 1.10 3h0bB1 ARG 297 HG3 -0.28 -0.09 -0.06 -0.04 1.67 1.20 3h0bB1 ARG 297 HD2 -0.47 -0.01 -0.24 -0.04 3.22 2.46 3h0bB1 ARG 297 HD3 -0.82 -0.01 -0.19 -0.04 3.22 2.17 3h0bB1 ILE 298 H -0.41 0.58 0.37 -0.55 8.25 8.24 3h0bB1 ILE 298 HA -0.18 0.37 1.10 -0.75 4.18 4.71 3h0bB1 ILE 298 HB -1.15 0.06 0.06 -0.04 1.89 0.81 3h0bB1 ILE 298 HG12 -0.49 0.11 0.24 -0.04 1.49 1.31 3h0bB1 ILE 298 HG13 -0.26 -0.07 0.06 -0.04 1.21 0.90 3h0bB1 ILE 298 HG23 -0.67 -0.00 -0.10 -0.04 0.93 0.11 3h0bB1 ILE 298 HD13 -0.77 0.00 -0.05 -0.04 0.88 0.02 3h0bB1 THR 299 H 0.14 0.60 0.32 -0.55 8.28 8.80 3h0bB1 THR 299 HA 0.02 0.34 1.17 -0.75 4.39 5.17 3h0bB1 THR 299 HB 0.02 -0.03 0.12 -0.04 4.32 4.39 3h0bB1 THR 299 HG23 0.03 0.01 -0.26 -0.04 1.22 0.95 3h0bB1 ILE 300 H 0.10 0.58 0.35 -0.55 8.25 8.74 3h0bB1 ILE 300 HA -0.06 0.17 1.06 -0.75 4.18 4.60 3h0bB1 ILE 300 HB 0.04 0.03 0.19 -0.04 1.89 2.10 3h0bB1 ILE 300 HG12 0.13 0.08 0.12 -0.04 1.49 1.77 3h0bB1 ILE 300 HG13 0.22 -0.08 -0.09 -0.04 1.21 1.22 3h0bB1 ILE 300 HG23 0.10 0.00 0.03 -0.04 0.93 1.02 3h0bB1 ILE 300 HD13 0.17 -0.00 -0.13 -0.04 0.88 0.88 3h0bB1 LEU 301 H -0.05 0.16 0.21 -0.55 8.37 8.14 3h0bB1 LEU 301 HA 0.06 0.25 0.83 -0.75 4.35 4.73 3h0bB1 LEU 301 HB2 -0.14 -0.01 0.07 -0.04 1.64 1.52 3h0bB1 LEU 301 HB3 -0.10 0.03 0.09 -0.04 1.64 1.62 3h0bB1 LEU 301 HG -0.04 -0.02 -0.17 -0.04 1.64 1.37 3h0bB1 LEU 301 HD13 0.01 0.04 -0.12 -0.04 0.93 0.81 3h0bB1 LEU 301 HD23 0.03 0.04 -0.32 -0.04 0.89 0.59 3h0bB1 PRO 302 HA -2.00 0.05 0.46 -0.51 4.44 2.44 3h0bB1 PRO 302 HB2 0.06 0.01 -0.08 -0.04 2.28 2.22 3h0bB1 PRO 302 HB3 -0.09 0.11 0.03 -0.04 2.02 2.03 3h0bB1 PRO 302 HG2 0.16 -0.12 0.04 -0.04 2.03 2.06 3h0bB1 PRO 302 HG3 0.30 0.41 0.04 -0.04 2.03 2.73 3h0bB1 PRO 302 HD2 0.02 0.00 0.15 -0.04 3.68 3.81 3h0bB1 PRO 302 HD3 0.16 0.39 -0.08 -0.04 3.65 4.08 3h0bB1 GLN 303 H -0.39 0.10 -0.29 -0.55 8.47 7.34 3h0bB1 GLN 303 HA -0.58 0.11 0.34 -0.75 4.36 3.48 3h0bB1 GLN 303 HB2 -0.42 -0.01 -0.00 -0.04 2.15 1.68 3h0bB1 GLN 303 HB3 -0.42 0.06 -0.07 -0.04 2.02 1.54 3h0bB1 GLN 303 HG2 -0.95 0.04 -0.21 -0.04 2.40 1.23 3h0bB1 GLN 303 HG3 -2.58 0.02 -0.05 -0.04 2.39 -0.26 3h0bB1 GLN 303 HE21 -0.63 -0.08 -0.05 -0.04 6.97 6.17 3h0bB1 GLN 303 HE22 -1.14 0.10 -0.25 -0.04 7.69 6.35 3h0bB1 GLN 304 H -0.22 0.36 -0.53 -0.55 8.47 7.53 3h0bB1 GLN 304 HA -0.04 0.13 0.79 -0.75 4.36 4.50 3h0bB1 GLN 304 HB2 -0.03 0.00 0.21 -0.04 2.15 2.29 3h0bB1 GLN 304 HB3 0.03 0.23 0.07 -0.04 2.02 2.31 3h0bB1 GLN 304 HG2 -0.10 0.02 0.05 -0.04 2.40 2.33 3h0bB1 GLN 304 HG3 -0.05 0.02 -0.02 -0.04 2.39 2.30 3h0bB1 GLN 304 HE21 0.06 0.42 0.11 -0.04 6.97 7.52 3h0bB1 GLN 304 HE22 -0.03 -0.04 -0.01 -0.04 7.69 7.57 3h0bB1 TYR 305 H -0.31 0.21 0.03 -0.55 8.29 7.67 3h0bB1 TYR 305 HA -0.02 0.17 0.71 -0.75 4.56 4.67 3h0bB1 TYR 305 HB2 -0.11 -0.10 0.03 -0.04 3.06 2.84 3h0bB1 TYR 305 HB3 -0.00 -0.02 -0.07 -0.04 2.98 2.85 3h0bB1 TYR 305 HD2 0.12 -0.06 -0.25 -0.04 7.15 6.92 3h0bB1 TYR 305 HE2 0.21 0.04 -0.17 -0.04 6.85 6.89 3h0bB1 LEU 306 H -0.16 0.60 -0.18 -0.55 8.37 8.09 3h0bB1 LEU 306 HA 0.14 0.12 0.81 -0.75 4.35 4.67 3h0bB1 LEU 306 HB2 -0.03 0.07 0.03 -0.04 1.64 1.67 3h0bB1 LEU 306 HB3 -0.15 -0.06 -0.14 -0.04 1.64 1.25 3h0bB1 LEU 306 HG -0.44 -0.03 -0.08 -0.04 1.64 1.05 3h0bB1 LEU 306 HD13 -0.90 -0.02 -0.16 -0.04 0.93 -0.20 3h0bB1 LEU 306 HD23 0.20 0.02 -0.16 -0.04 0.89 0.90 3h0bB1 ARG 307 H 0.14 0.60 0.07 -0.55 8.46 8.71 3h0bB1 ARG 307 HA 0.16 0.17 0.52 -0.75 4.34 4.43 3h0bB1 ARG 307 HB2 0.09 0.07 0.08 -0.04 1.90 2.10 3h0bB1 ARG 307 HB3 0.09 0.02 -0.09 -0.04 1.80 1.78 3h0bB1 ARG 307 HG2 0.08 0.03 0.00 -0.04 1.67 1.75 3h0bB1 ARG 307 HG3 0.07 0.03 -0.06 -0.04 1.67 1.66 3h0bB1 ARG 307 HD2 0.05 -0.08 -0.03 -0.04 3.22 3.13 3h0bB1 ARG 307 HD3 0.04 -0.02 -0.06 -0.04 3.22 3.15 3h0bB1 PRO 308 HA -0.06 0.22 0.65 -0.51 4.44 4.75 3h0bB1 PRO 308 HB2 0.04 0.01 -0.00 -0.04 2.28 2.29 3h0bB1 PRO 308 HB3 0.22 0.02 0.11 -0.04 2.02 2.33 3h0bB1 PRO 308 HG2 0.09 -0.01 0.12 -0.04 2.03 2.19 3h0bB1 PRO 308 HG3 0.16 -0.04 0.14 -0.04 2.03 2.25 3h0bB1 PRO 308 HD2 0.14 0.01 0.27 -0.04 3.68 4.07 3h0bB1 PRO 308 HD3 0.29 0.36 0.31 -0.04 3.65 4.56 3h0bB1 VAL 309 H -0.13 0.61 0.21 -0.55 8.24 8.38 3h0bB1 VAL 309 HA -0.00 0.25 0.69 -0.75 4.13 4.31 3h0bB1 VAL 309 HB -0.04 -0.03 -0.14 -0.04 2.12 1.87 3h0bB1 VAL 309 HG13 -0.02 -0.00 -0.03 -0.04 0.97 0.87 3h0bB1 VAL 309 HG23 0.02 0.03 -0.22 -0.04 0.95 0.74 3h0bB1 SER 315 HA -0.01 -0.05 0.20 -0.75 4.49 3.88 3h0bB1 SER 315 HB2 -0.02 0.04 0.15 -0.04 3.95 4.08 3h0bB1 SER 315 HB3 -0.02 -0.14 0.11 -0.04 3.93 3.85 3h0bB1 GLN 316 H -0.01 0.08 0.05 -0.55 8.47 8.05 3h0bB1 GLN 316 HA 0.00 0.29 0.89 -0.75 4.36 4.78 3h0bB1 GLN 316 HB2 0.00 -0.04 0.13 -0.04 2.15 2.20 3h0bB1 GLN 316 HB3 0.01 -0.02 0.22 -0.04 2.02 2.19 3h0bB1 GLN 316 HG2 0.00 0.10 -0.08 -0.04 2.40 2.38 3h0bB1 GLN 316 HG3 -0.00 -0.03 -0.16 -0.04 2.39 2.16 3h0bB1 GLN 316 HE21 0.00 -0.02 -0.00 -0.04 6.97 6.91 3h0bB1 GLN 316 HE22 0.00 0.04 -0.02 -0.04 7.69 7.67 3h0bB1 ASP 317 H -0.01 0.25 -0.25 -0.55 8.40 7.85 3h0bB1 ASP 317 HA 0.02 0.08 0.94 -0.75 4.63 4.92 3h0bB1 ASP 317 HB2 -0.03 -0.03 -0.05 -0.04 2.71 2.56 3h0bB1 ASP 317 HB3 -0.03 0.02 -0.19 -0.04 2.70 2.46 3h0bB1 ASP 318 H 0.07 0.52 0.14 -0.55 8.40 8.58 3h0bB1 ASP 318 HA -0.10 0.19 0.86 -0.75 4.63 4.83 3h0bB1 ASP 318 HB2 0.15 -0.06 0.12 -0.04 2.71 2.89 3h0bB1 ASP 318 HB3 -0.02 0.08 0.01 -0.04 2.70 2.74 3h0bB1 CYS 319 H -0.27 0.26 0.17 -0.55 8.50 8.11 3h0bB1 CYS 319 HA -0.14 0.37 1.10 -0.75 4.58 5.15 3h0bB1 CYS 319 HB2 -0.12 0.11 0.04 -0.04 2.97 2.96 3h0bB1 CYS 319 HB3 -0.10 -0.04 -0.04 -0.04 2.97 2.75 3h0bB1 TYR 320 H 0.07 0.37 0.35 -0.55 8.29 8.53 3h0bB1 TYR 320 HA 0.08 0.33 0.97 -0.75 4.56 5.18 3h0bB1 TYR 320 HB2 0.15 -0.06 -0.17 -0.04 3.06 2.94 3h0bB1 TYR 320 HB3 0.13 0.01 -0.36 -0.04 2.98 2.71 3h0bB1 TYR 320 HD2 0.25 0.09 -0.41 -0.04 7.15 7.05 3h0bB1 TYR 320 HE2 0.22 -0.00 -0.13 -0.04 6.85 6.89 3h0bB1 LYS 321 H 0.20 0.70 0.20 -0.55 8.42 8.97 3h0bB1 LYS 321 HA 0.13 0.18 0.93 -0.75 4.32 4.80 3h0bB1 LYS 321 HB2 0.06 0.03 -0.06 -0.04 1.87 1.86 3h0bB1 LYS 321 HB3 0.07 -0.00 0.03 -0.04 1.79 1.85 3h0bB1 LYS 321 HG2 0.03 -0.07 -0.36 -0.04 1.46 1.02 3h0bB1 LYS 321 HG3 0.03 0.04 -0.04 -0.04 1.46 1.45 3h0bB1 LYS 321 HD2 0.03 0.21 -0.03 -0.04 1.69 1.86 3h0bB1 LYS 321 HD3 0.03 -0.08 -0.08 -0.04 1.68 1.51 3h0bB1 LYS 321 HE2 0.02 -0.11 -0.06 -0.04 2.99 2.80 3h0bB1 LYS 321 HE3 0.02 0.07 0.04 -0.04 2.99 3.08 3h0bB1 PHE 322 H -0.15 0.21 0.15 -0.55 8.34 8.00 3h0bB1 PHE 322 HA -0.08 0.07 0.60 -0.75 4.62 4.45 3h0bB1 PHE 322 HB2 -1.56 -0.02 0.10 -0.04 3.15 1.62 3h0bB1 PHE 322 HB3 -0.43 0.06 0.25 -0.04 3.06 2.89 3h0bB1 PHE 322 HD2 0.08 0.06 -0.00 -0.04 7.28 7.38 3h0bB1 PHE 322 HE2 0.18 0.02 -0.01 -0.04 7.38 7.53 3h0bB1 PHE 322 HZ 0.05 -0.04 -0.05 -0.04 7.32 7.24 3h0bB1 ALA 323 H -0.12 0.88 0.44 -0.55 8.40 9.06 3h0bB1 ALA 323 HA -0.09 0.17 0.70 -0.75 4.34 4.37 3h0bB1 ALA 323 HB3 0.01 -0.03 0.09 -0.04 1.41 1.45 3h0bB1 ILE 324 H -1.14 0.17 -0.25 -0.55 8.25 6.48 3h0bB1 ILE 324 HA -0.15 0.22 1.08 -0.75 4.18 4.58 3h0bB1 ILE 324 HB -0.98 -0.01 0.08 -0.04 1.89 0.94 3h0bB1 ILE 324 HG12 -0.14 -0.01 0.02 -0.04 1.49 1.32 3h0bB1 ILE 324 HG13 -0.37 -0.06 -0.15 -0.04 1.21 0.59 3h0bB1 ILE 324 HG23 0.15 0.01 -0.13 -0.04 0.93 0.91 3h0bB1 ILE 324 HD13 -0.31 -0.00 -0.07 -0.04 0.88 0.45 3h0bB1 SER 325 H 0.01 0.54 0.28 -0.55 8.46 8.74 3h0bB1 SER 325 HA -0.03 0.26 0.92 -0.75 4.49 4.89 3h0bB1 SER 325 HB2 -0.13 -0.05 0.10 -0.04 3.95 3.83 3h0bB1 SER 325 HB3 -0.04 0.11 -0.31 -0.04 3.93 3.65 3h0bB1 GLN 326 H -0.53 0.18 0.17 -0.55 8.47 7.74 3h0bB1 GLN 326 HA -0.49 0.15 0.49 -0.75 4.36 3.75 3h0bB1 GLN 326 HB2 -0.77 0.04 0.14 -0.04 2.15 1.52 3h0bB1 GLN 326 HB3 -0.28 -0.01 0.08 -0.04 2.02 1.77 3h0bB1 GLN 326 HG2 -0.14 -0.02 -0.11 -0.04 2.40 2.09 3h0bB1 GLN 326 HG3 -0.23 -0.00 0.05 -0.04 2.39 2.17 3h0bB1 GLN 326 HE21 -0.04 0.00 0.01 -0.04 6.97 6.90 3h0bB1 GLN 326 HE22 -0.31 0.03 0.05 -0.04 7.69 7.42 3h0bB1 SER 327 H -0.08 0.60 0.28 -0.55 8.46 8.71 3h0bB1 SER 327 HA -0.07 0.14 0.85 -0.75 4.49 4.66 3h0bB1 SER 327 HB2 -0.05 -0.04 -0.27 -0.04 3.95 3.55 3h0bB1 SER 327 HB3 -0.03 -0.00 -0.46 -0.04 3.93 3.40 3h0bB1 SER 328 H -0.06 0.14 0.17 -0.55 8.46 8.17 3h0bB1 SER 328 HA -0.06 0.15 0.96 -0.75 4.49 4.79 3h0bB1 SER 328 HB2 -0.04 0.02 0.16 -0.04 3.95 4.05 3h0bB1 SER 328 HB3 -0.03 0.02 0.01 -0.04 3.93 3.88 3h0bB1 THR 329 H -0.07 0.02 0.08 -0.55 8.28 7.76 3h0bB1 THR 329 HA -0.11 0.21 0.81 -0.75 4.39 4.55 3h0bB1 THR 329 HB -0.09 0.04 0.15 -0.04 4.32 4.37 3h0bB1 THR 329 HG23 -0.03 -0.01 -0.05 -0.04 1.22 1.10 3h0bB1 GLY 330 H -0.12 0.04 -0.46 -0.55 8.43 7.33 3h0bB1 GLY 330 HA2 -0.11 0.25 0.03 -0.51 4.01 3.67 3h0bB1 GLY 330 HA3 -0.11 0.20 0.48 -0.51 4.01 4.08 3h0bB1 THR 331 H -0.02 0.53 0.32 -0.55 8.28 8.57 3h0bB1 THR 331 HA 0.00 0.24 0.75 -0.75 4.39 4.63 3h0bB1 THR 331 HB 0.02 -0.12 0.33 -0.04 4.32 4.50 3h0bB1 THR 331 HG23 0.01 -0.01 -0.09 -0.04 1.22 1.09 3h0bB1 VAL 332 H -0.01 0.58 0.27 -0.55 8.24 8.54 3h0bB1 VAL 332 HA -0.03 0.18 0.99 -0.75 4.13 4.52 3h0bB1 VAL 332 HB -0.01 -0.10 0.16 -0.04 2.12 2.13 3h0bB1 VAL 332 HG13 0.01 -0.01 -0.19 -0.04 0.97 0.74 3h0bB1 VAL 332 HG23 -0.07 0.04 -0.27 -0.04 0.95 0.61 3h0bB1 MET 333 H 0.03 0.82 0.23 -0.55 8.47 9.00 3h0bB1 MET 333 HA 0.05 0.04 0.77 -0.75 4.52 4.62 3h0bB1 MET 333 HB2 0.08 0.09 0.28 -0.04 2.15 2.56 3h0bB1 MET 333 HB3 0.11 -0.01 0.15 -0.04 2.03 2.23 3h0bB1 MET 333 HG2 0.01 -0.00 -0.01 -0.04 2.63 2.58 3h0bB1 MET 333 HG3 0.01 -0.04 -0.09 -0.04 2.56 2.40 3h0bB1 MET 333 HE3 -0.07 0.00 -0.08 -0.04 2.10 1.91 3h0bB1 GLY 334 H 0.05 0.43 0.20 -0.55 8.43 8.57 3h0bB1 GLY 334 HA2 0.07 0.21 0.50 -0.51 4.01 4.28 3h0bB1 GLY 334 HA3 0.06 0.25 0.24 -0.51 4.01 4.05 3h0bB1 ALA 335 H 0.08 0.73 0.35 -0.55 8.40 9.01 3h0bB1 ALA 335 HA 0.10 -0.05 0.36 -0.75 4.34 3.99 3h0bB1 ALA 335 HB3 0.16 0.04 0.14 -0.04 1.41 1.71 3h0bB1 VAL 336 H 0.07 0.46 -0.17 -0.55 8.24 8.05 3h0bB1 VAL 336 HA 0.07 0.19 0.37 -0.75 4.13 4.00 3h0bB1 VAL 336 HB 0.06 -0.13 -0.11 -0.04 2.12 1.89 3h0bB1 VAL 336 HG13 0.10 0.00 -0.35 -0.04 0.97 0.68 3h0bB1 VAL 336 HG23 0.04 0.20 0.16 -0.04 0.95 1.30 3h0bB1 ILE 337 H 0.10 0.27 -0.45 -0.55 8.25 7.61 3h0bB1 ILE 337 HA 0.17 0.07 0.58 -0.75 4.18 4.25 3h0bB1 ILE 337 HB 0.14 0.15 -0.02 -0.04 1.89 2.11 3h0bB1 ILE 337 HG12 0.08 -0.05 -0.08 -0.04 1.49 1.40 3h0bB1 ILE 337 HG13 0.06 -0.04 0.01 -0.04 1.21 1.20 3h0bB1 ILE 337 HG23 0.27 -0.01 -0.21 -0.04 0.93 0.94 3h0bB1 ILE 337 HD13 0.09 0.00 -0.05 -0.04 0.88 0.88 3h0bB1 MET 338 H 0.14 0.54 0.01 -0.55 8.47 8.60 3h0bB1 MET 338 HA 0.26 0.00 0.25 -0.75 4.52 4.27 3h0bB1 MET 338 HB2 0.08 0.01 0.03 -0.04 2.15 2.22 3h0bB1 MET 338 HB3 0.06 -0.04 0.07 -0.04 2.03 2.08 3h0bB1 MET 338 HG2 0.13 -0.04 -0.04 -0.04 2.63 2.64 3h0bB1 MET 338 HG3 0.13 0.25 -0.09 -0.04 2.56 2.82 3h0bB1 MET 338 HE3 0.14 0.00 -0.02 -0.04 2.10 2.18 3h0bB1 GLU 339 H 0.06 0.53 -0.44 -0.55 8.60 8.21 3h0bB1 GLU 339 HA 0.01 0.42 0.62 -0.75 4.29 4.58 3h0bB1 GLU 339 HB2 0.04 0.15 0.07 -0.04 2.09 2.30 3h0bB1 GLU 339 HB3 0.03 -0.17 0.14 -0.04 1.99 1.95 3h0bB1 GLU 339 HG2 0.10 0.04 -0.37 -0.04 2.34 2.06 3h0bB1 GLU 339 HG3 0.10 -0.06 -0.06 -0.04 2.34 2.27 3h0bB1 GLY 340 H -0.18 0.50 -0.31 -0.55 8.43 7.89 3h0bB1 GLY 340 HA2 -0.37 0.06 0.88 -0.51 4.01 4.07 3h0bB1 GLY 340 HA3 -0.94 -0.03 0.39 -0.51 4.01 2.92 3h0bB1 PHE 341 H -0.04 0.45 -0.11 -0.55 8.34 8.09 3h0bB1 PHE 341 HA 0.05 0.11 1.12 -0.75 4.62 5.14 3h0bB1 PHE 341 HB2 0.12 -0.04 -0.11 -0.04 3.15 3.08 3h0bB1 PHE 341 HB3 0.11 0.04 0.05 -0.04 3.06 3.22 3h0bB1 PHE 341 HD2 0.08 0.06 -0.26 -0.04 7.28 7.12 3h0bB1 PHE 341 HE2 -0.03 0.03 -0.05 -0.04 7.38 7.29 3h0bB1 PHE 341 HZ -0.07 -0.10 -0.35 -0.04 7.32 6.76 3h0bB1 TYR 342 H 0.28 0.57 0.11 -0.55 8.29 8.70 3h0bB1 TYR 342 HA -0.01 0.18 0.86 -0.75 4.56 4.84 3h0bB1 TYR 342 HB2 0.09 0.13 -0.06 -0.04 3.06 3.18 3h0bB1 TYR 342 HB3 -0.10 -0.06 0.02 -0.04 2.98 2.80 3h0bB1 TYR 342 HD2 -0.24 0.06 -0.20 -0.04 7.15 6.72 3h0bB1 TYR 342 HE2 -0.00 -0.04 -0.25 -0.04 6.85 6.51 3h0bB1 VAL 343 H -0.20 0.66 0.27 -0.55 8.24 8.42 3h0bB1 VAL 343 HA -0.69 0.39 1.07 -0.75 4.13 4.15 3h0bB1 VAL 343 HB -0.17 -0.06 0.21 -0.04 2.12 2.06 3h0bB1 VAL 343 HG13 -1.10 -0.00 -0.16 -0.04 0.97 -0.33 3h0bB1 VAL 343 HG23 -0.20 0.04 -0.12 -0.04 0.95 0.63 3h0bB1 VAL 344 H -0.72 0.57 0.22 -0.55 8.24 7.76 3h0bB1 VAL 344 HA -0.46 0.11 0.90 -0.75 4.13 3.92 3h0bB1 VAL 344 HB -0.37 -0.13 0.14 -0.04 2.12 1.72 3h0bB1 VAL 344 HG13 -0.14 0.01 -0.28 -0.04 0.97 0.52 3h0bB1 VAL 344 HG23 -0.58 0.03 -0.21 -0.04 0.95 0.15 3h0bB1 PHE 345 H -0.34 0.78 0.43 -0.55 8.34 8.66 3h0bB1 PHE 345 HA -0.49 0.14 0.86 -0.75 4.62 4.38 3h0bB1 PHE 345 HB2 -2.05 0.08 0.34 -0.04 3.15 1.48 3h0bB1 PHE 345 HB3 -1.10 -0.02 0.12 -0.04 3.06 2.02 3h0bB1 PHE 345 HD2 -1.39 0.07 0.04 -0.04 7.28 5.95 3h0bB1 PHE 345 HE2 -0.37 0.04 -0.00 -0.04 7.38 7.01 3h0bB1 PHE 345 HZ -0.19 -0.05 -0.09 -0.04 7.32 6.95 3h0bB1 ASP 346 H -0.14 0.55 0.12 -0.55 8.40 8.39 3h0bB1 ASP 346 HA -0.05 0.04 0.55 -0.75 4.63 4.42 3h0bB1 ASP 346 HB2 0.01 -0.02 -0.07 -0.04 2.71 2.59 3h0bB1 ASP 346 HB3 -0.05 0.11 0.10 -0.04 2.70 2.81 3h0bB1 ARG 347 H 0.02 0.39 0.28 -0.55 8.46 8.59 3h0bB1 ARG 347 HA 0.22 0.03 0.39 -0.75 4.34 4.24 3h0bB1 ARG 347 HB2 0.17 0.10 -0.02 -0.04 1.90 2.11 3h0bB1 ARG 347 HB3 0.28 -0.00 -0.02 -0.04 1.80 2.01 3h0bB1 ARG 347 HG2 0.32 -0.01 -0.06 -0.04 1.67 1.88 3h0bB1 ARG 347 HG3 0.07 0.03 -0.08 -0.04 1.67 1.65 3h0bB1 ARG 347 HD2 -0.06 0.04 -0.05 -0.04 3.22 3.11 3h0bB1 ARG 347 HD3 -0.13 -0.04 -0.12 -0.04 3.22 2.89 3h0bB1 ALA 348 H 0.08 0.53 0.11 -0.55 8.40 8.57 3h0bB1 ALA 348 HA 0.07 0.05 0.41 -0.75 4.34 4.12 3h0bB1 ALA 348 HB3 0.04 -0.02 0.07 -0.04 1.41 1.46 3h0bB1 ARG 349 H -0.00 0.08 -0.49 -0.55 8.46 7.50 3h0bB1 ARG 349 HA -0.01 0.22 0.81 -0.75 4.34 4.61 3h0bB1 ARG 349 HB2 -0.12 -0.04 -0.05 -0.04 1.90 1.64 3h0bB1 ARG 349 HB3 -0.10 0.01 0.07 -0.04 1.80 1.74 3h0bB1 ARG 349 HG2 -0.05 0.06 -0.11 -0.04 1.67 1.54 3h0bB1 ARG 349 HG3 -0.04 -0.09 -0.31 -0.04 1.67 1.18 3h0bB1 ARG 349 HD2 -0.07 -0.00 -0.09 -0.04 3.22 3.02 3h0bB1 ARG 349 HD3 -0.15 -0.03 -0.10 -0.04 3.22 2.90 3h0bB1 LYS 350 H 0.06 0.28 -0.29 -0.55 8.42 7.92 3h0bB1 LYS 350 HA 0.11 -0.02 0.35 -0.75 4.32 4.00 3h0bB1 LYS 350 HB2 0.03 0.01 -0.24 -0.04 1.87 1.63 3h0bB1 LYS 350 HB3 0.03 0.07 0.03 -0.04 1.79 1.89 3h0bB1 LYS 350 HG2 0.05 0.05 0.11 -0.04 1.46 1.63 3h0bB1 LYS 350 HG3 0.02 -0.05 0.03 -0.04 1.46 1.43 3h0bB1 LYS 350 HD2 0.00 -0.03 -0.00 -0.04 1.69 1.62 3h0bB1 LYS 350 HD3 0.02 -0.01 0.02 -0.04 1.68 1.67 3h0bB1 LYS 350 HE2 0.02 0.30 -0.03 -0.04 2.99 3.23 3h0bB1 LYS 350 HE3 -0.04 -0.13 -0.03 -0.04 2.99 2.76 3h0bB1 ARG 351 H 0.05 0.54 0.02 -0.55 8.46 8.52 3h0bB1 ARG 351 HA 0.10 0.04 0.68 -0.75 4.34 4.41 3h0bB1 ARG 351 HB2 0.14 -0.04 -0.21 -0.04 1.90 1.75 3h0bB1 ARG 351 HB3 0.02 0.18 -0.29 -0.04 1.80 1.66 3h0bB1 ARG 351 HG2 -0.10 -0.03 -0.39 -0.04 1.67 1.11 3h0bB1 ARG 351 HG3 -0.08 -0.11 -0.33 -0.04 1.67 1.11 3h0bB1 ARG 351 HD2 -0.46 -0.05 -0.21 -0.04 3.22 2.46 3h0bB1 ARG 351 HD3 -0.22 0.11 -0.16 -0.04 3.22 2.91 3h0bB1 ILE 352 H 0.13 0.82 0.24 -0.55 8.25 8.89 3h0bB1 ILE 352 HA -0.25 0.25 1.18 -0.75 4.18 4.61 3h0bB1 ILE 352 HB 0.02 0.03 0.08 -0.04 1.89 1.97 3h0bB1 ILE 352 HG12 -0.62 -0.01 -0.03 -0.04 1.49 0.79 3h0bB1 ILE 352 HG13 -0.05 -0.07 -0.41 -0.04 1.21 0.64 3h0bB1 ILE 352 HG23 -0.71 -0.01 -0.22 -0.04 0.93 -0.05 3h0bB1 ILE 352 HD13 -0.06 -0.01 -0.12 -0.04 0.88 0.65 3h0bB1 GLY 353 H -0.38 0.59 0.34 -0.55 8.43 8.43 3h0bB1 GLY 353 HA2 -0.74 0.25 0.65 -0.51 4.01 3.66 3h0bB1 GLY 353 HA3 -0.98 -0.06 0.25 -0.51 4.01 2.71 3h0bB1 PHE 354 H -0.29 0.53 0.34 -0.55 8.34 8.36 3h0bB1 PHE 354 HA -0.26 0.27 0.92 -0.75 4.62 4.79 3h0bB1 PHE 354 HB2 -0.18 0.00 0.11 -0.04 3.15 3.04 3h0bB1 PHE 354 HB3 -0.38 0.00 -0.03 -0.04 3.06 2.61 3h0bB1 PHE 354 HD2 -0.26 0.07 -0.14 -0.04 7.28 6.91 3h0bB1 PHE 354 HE2 -0.11 -0.01 -0.13 -0.04 7.38 7.09 3h0bB1 PHE 354 HZ -0.14 -0.04 -0.11 -0.04 7.32 6.98 3h0bB1 ALA 355 H 0.03 0.47 0.27 -0.55 8.40 8.63 3h0bB1 ALA 355 HA 0.09 0.22 0.67 -0.75 4.34 4.57 3h0bB1 ALA 355 HB3 -0.12 0.01 -0.10 -0.04 1.41 1.16 3h0bB1 VAL 356 H 0.19 0.21 0.14 -0.55 8.24 8.23 3h0bB1 VAL 356 HA 0.17 0.13 0.51 -0.75 4.13 4.19 3h0bB1 VAL 356 HB 0.12 -0.02 0.06 -0.04 2.12 2.24 3h0bB1 VAL 356 HG13 -0.01 0.03 -0.15 -0.04 0.97 0.79 3h0bB1 VAL 356 HG23 0.09 -0.00 -0.08 -0.04 0.95 0.92 3h0bB1 SER 357 H -0.05 0.55 0.34 -0.55 8.46 8.75 3h0bB1 SER 357 HA 0.16 0.16 0.64 -0.75 4.49 4.70 3h0bB1 SER 357 HB2 0.08 -0.03 -0.46 -0.04 3.95 3.50 3h0bB1 SER 357 HB3 0.07 0.04 -0.14 -0.04 3.93 3.86 3h0bB1 ALA 358 H 0.05 0.69 0.15 -0.55 8.40 8.75 3h0bB1 ALA 358 HA 0.05 0.07 0.30 -0.75 4.34 4.01 3h0bB1 ALA 358 HB3 -0.03 -0.00 -0.18 -0.04 1.41 1.16 3h0bB1 CYS 359 H 0.06 -0.03 -0.51 -0.55 8.50 7.47 3h0bB1 CYS 359 HA -0.02 0.26 0.89 -0.75 4.58 4.96 3h0bB1 CYS 359 HB2 -0.01 0.02 0.04 -0.04 2.97 2.99 3h0bB1 CYS 359 HB3 -0.00 -0.04 -0.13 -0.04 2.97 2.75 3h0bB1 HIS 360 H 0.15 0.18 -0.22 -0.55 8.41 7.97 3h0bB1 HIS 360 HA -0.04 0.05 0.34 -0.75 4.63 4.23 3h0bB1 HIS 360 HB2 -0.13 0.09 0.31 -0.04 3.26 3.50 3h0bB1 HIS 360 HB3 -0.09 -0.07 0.14 -0.04 3.20 3.15 3h0bB1 HIS 360 HD2 -0.08 0.18 -0.21 -0.04 6.97 6.82 3h0bB1 HIS 360 HE1 -0.22 0.02 -0.00 -0.04 7.75 7.50 3h0bB1 VAL 361 H -0.00 0.10 0.22 -0.55 8.24 8.01 3h0bB1 VAL 361 HA -0.24 0.16 0.66 -0.75 4.13 3.95 3h0bB1 VAL 361 HB -0.11 -0.03 0.17 -0.04 2.12 2.11 3h0bB1 VAL 361 HG13 -0.25 -0.00 -0.08 -0.04 0.97 0.59 3h0bB1 VAL 361 HG23 -0.07 -0.02 0.05 -0.04 0.95 0.87 3h0bB1 HIS 362 H -0.52 0.34 0.29 -0.55 8.41 7.97 3h0bB1 HIS 362 HA -0.29 -0.02 0.64 -0.75 4.63 4.20 3h0bB1 HIS 362 HB2 -0.08 0.36 0.36 -0.04 3.26 3.85 3h0bB1 HIS 362 HB3 -0.03 -0.10 -0.09 -0.04 3.20 2.95 3h0bB1 HIS 362 HD2 -0.96 0.29 -0.13 -0.04 6.97 6.13 3h0bB1 HIS 362 HE1 -0.12 -0.07 -0.10 -0.04 7.75 7.43 3h0bB1 ASP 363 H -0.06 0.13 0.20 -0.55 8.40 8.13 3h0bB1 ASP 363 HA -0.21 0.28 0.94 -0.75 4.63 4.89 3h0bB1 ASP 363 HB2 0.01 -0.15 0.26 -0.04 2.71 2.79 3h0bB1 ASP 363 HB3 -0.15 0.10 0.10 -0.04 2.70 2.70 3h0bB1 GLU 364 H -0.17 0.14 0.17 -0.55 8.60 8.20 3h0bB1 GLU 364 HA -0.11 0.20 0.45 -0.75 4.29 4.07 3h0bB1 GLU 364 HB2 -0.29 0.04 0.13 -0.04 2.09 1.93 3h0bB1 GLU 364 HB3 -0.26 0.00 0.12 -0.04 1.99 1.81 3h0bB1 GLU 364 HG2 -0.90 -0.04 0.04 -0.04 2.34 1.39 3h0bB1 GLU 364 HG3 -1.75 0.05 -0.35 -0.04 2.34 0.24 3h0bB1 PHE 365 H 0.02 -0.09 -0.26 -0.55 8.34 7.45 3h0bB1 PHE 365 HA 0.03 0.25 0.80 -0.75 4.62 4.94 3h0bB1 PHE 365 HB2 0.04 -0.05 0.01 -0.04 3.15 3.11 3h0bB1 PHE 365 HB3 0.03 0.04 0.02 -0.04 3.06 3.11 3h0bB1 PHE 365 HD2 0.04 0.01 -0.00 -0.04 7.28 7.28 3h0bB1 PHE 365 HE2 0.03 0.02 -0.01 -0.04 7.38 7.37 3h0bB1 PHE 365 HZ 0.02 0.01 -0.02 -0.04 7.32 7.30 3h0bB1 ARG 366 H 0.12 0.03 -0.05 -0.55 8.46 8.01 3h0bB1 ARG 366 HA 0.07 0.23 0.88 -0.75 4.34 4.77 3h0bB1 ARG 366 HB2 0.08 -0.11 -0.03 -0.04 1.90 1.80 3h0bB1 ARG 366 HB3 0.06 0.05 -0.05 -0.04 1.80 1.82 3h0bB1 ARG 366 HG2 0.10 0.15 -0.11 -0.04 1.67 1.77 3h0bB1 ARG 366 HG3 0.14 -0.12 -0.33 -0.04 1.67 1.33 3h0bB1 ARG 366 HD2 0.08 -0.01 -0.05 -0.04 3.22 3.20 3h0bB1 ARG 366 HD3 0.08 0.04 -0.06 -0.04 3.22 3.25 3h0bB1 THR 367 H 0.01 0.28 0.14 -0.55 8.28 8.17 3h0bB1 THR 367 HA 0.02 0.11 0.83 -0.75 4.39 4.61 3h0bB1 THR 367 HB -0.19 0.01 -0.24 -0.04 4.32 3.86 3h0bB1 THR 367 HG23 -0.03 0.06 -0.08 -0.04 1.22 1.12 3h0bB1 ALA 368 H -0.01 0.12 0.13 -0.55 8.40 8.10 3h0bB1 ALA 368 HA -0.14 0.18 0.62 -0.75 4.34 4.26 3h0bB1 ALA 368 HB3 -0.80 -0.01 0.24 -0.04 1.41 0.80 3h0bB1 ALA 369 H 0.10 0.38 0.40 -0.55 8.40 8.73 3h0bB1 ALA 369 HA 0.05 0.15 0.84 -0.75 4.34 4.62 3h0bB1 ALA 369 HB3 0.02 0.01 -0.09 -0.04 1.41 1.31 3h0bB1 VAL 370 H 0.07 0.24 0.09 -0.55 8.24 8.08 3h0bB1 VAL 370 HA -0.07 0.36 0.87 -0.75 4.13 4.55 3h0bB1 VAL 370 HB 0.13 -0.05 0.18 -0.04 2.12 2.33 3h0bB1 VAL 370 HG13 0.00 0.05 -0.10 -0.04 0.97 0.87 3h0bB1 VAL 370 HG23 0.04 -0.03 -0.33 -0.04 0.95 0.59 3h0bB1 GLU 371 H -0.14 0.49 0.25 -0.55 8.60 8.65 3h0bB1 GLU 371 HA -0.15 0.22 1.03 -0.75 4.29 4.63 3h0bB1 GLU 371 HB2 0.08 -0.04 0.00 -0.04 2.09 2.08 3h0bB1 GLU 371 HB3 -0.03 0.04 0.05 -0.04 1.99 2.01 3h0bB1 GLU 371 HG2 0.02 0.06 -0.05 -0.04 2.34 2.33 3h0bB1 GLU 371 HG3 0.00 -0.14 -0.45 -0.04 2.34 1.71 3h0bB1 GLY 372 H -0.39 0.38 0.27 -0.55 8.43 8.14 3h0bB1 GLY 372 HA2 -1.18 0.01 0.37 -0.51 4.01 2.71 3h0bB1 GLY 372 HA3 -1.72 0.07 0.43 -0.51 4.01 2.28 3h0bB1 PRO 373 HA -0.50 0.23 0.55 -0.51 4.44 4.20 3h0bB1 PRO 373 HB2 0.06 0.02 0.02 -0.04 2.28 2.35 3h0bB1 PRO 373 HB3 0.31 0.01 0.09 -0.04 2.02 2.40 3h0bB1 PRO 373 HG2 0.02 0.01 0.01 -0.04 2.03 2.02 3h0bB1 PRO 373 HG3 0.18 0.03 0.05 -0.04 2.03 2.24 3h0bB1 PRO 373 HD2 -0.03 0.06 0.33 -0.04 3.68 4.00 3h0bB1 PRO 373 HD3 0.29 0.12 0.25 -0.04 3.65 4.26 3h0bB1 PHE 374 H 0.06 0.47 0.27 -0.55 8.34 8.58 3h0bB1 PHE 374 HA 0.02 0.17 0.84 -0.75 4.62 4.90 3h0bB1 PHE 374 HB2 0.07 -0.08 -0.10 -0.04 3.15 3.00 3h0bB1 PHE 374 HB3 0.03 0.07 -0.07 -0.04 3.06 3.04 3h0bB1 PHE 374 HD2 0.01 0.00 -0.19 -0.04 7.28 7.07 3h0bB1 PHE 374 HE2 -0.14 0.06 -0.13 -0.04 7.38 7.14 3h0bB1 PHE 374 HZ -0.11 -0.02 -0.21 -0.04 7.32 6.94 3h0bB1 VAL 375 H 0.12 0.14 0.11 -0.55 8.24 8.06 3h0bB1 VAL 375 HA 0.07 0.29 0.70 -0.75 4.13 4.44 3h0bB1 VAL 375 HB 0.06 -0.04 0.19 -0.04 2.12 2.28 3h0bB1 VAL 375 HG13 0.03 -0.01 -0.13 -0.04 0.97 0.83 3h0bB1 VAL 375 HG23 0.04 0.01 0.05 -0.04 0.95 1.01 3h0bB1 THR 376 H 0.06 0.79 0.24 -0.55 8.28 8.82 3h0bB1 THR 376 HA 0.01 0.15 0.85 -0.75 4.39 4.64 3h0bB1 THR 376 HB 0.04 -0.07 -0.16 -0.04 4.32 4.08 3h0bB1 THR 376 HG23 -0.02 0.00 -0.17 -0.04 1.22 1.00 3h0bB1 LEU 377 H -0.00 0.22 0.10 -0.55 8.37 8.15 3h0bB1 LEU 377 HA 0.02 0.12 0.92 -0.75 4.35 4.66 3h0bB1 LEU 377 HB2 0.00 0.04 0.04 -0.04 1.64 1.68 3h0bB1 LEU 377 HB3 0.01 -0.02 0.06 -0.04 1.64 1.65 3h0bB1 LEU 377 HG 0.01 -0.01 -0.18 -0.04 1.64 1.42 3h0bB1 LEU 377 HD13 0.01 0.01 -0.03 -0.04 0.93 0.88 3h0bB1 LEU 377 HD23 0.02 0.03 -0.10 -0.04 0.89 0.80 3h0bB1 ASP 378 H 0.01 0.15 0.18 -0.55 8.40 8.20 3h0bB1 ASP 378 HA 0.01 0.00 0.37 -0.75 4.63 4.26 3h0bB1 ASP 378 HB2 0.00 0.21 0.04 -0.04 2.71 2.93 3h0bB1 ASP 378 HB3 0.01 -0.02 0.18 -0.04 2.70 2.82 3h0bB1 MET 379 H 0.02 0.10 -0.11 -0.55 8.47 7.94 3h0bB1 MET 379 HA 0.02 0.19 0.39 -0.75 4.52 4.37 3h0bB1 MET 379 HB2 0.03 -0.04 0.04 -0.04 2.15 2.14 3h0bB1 MET 379 HB3 0.03 0.06 -0.03 -0.04 2.03 2.05 3h0bB1 MET 379 HG2 0.02 0.05 -0.16 -0.04 2.63 2.50 3h0bB1 MET 379 HG3 0.02 -0.00 -0.38 -0.04 2.56 2.16 3h0bB1 MET 379 HE3 0.06 0.05 0.04 -0.04 2.10 2.20 3h0bB1 GLU 380 H 0.03 0.02 -0.12 -0.55 8.60 7.98 3h0bB1 GLU 380 HA 0.04 0.13 0.41 -0.75 4.29 4.11 3h0bB1 GLU 380 HB2 0.02 -0.01 -0.03 -0.04 2.09 2.03 3h0bB1 GLU 380 HB3 0.02 0.09 0.04 -0.04 1.99 2.10 3h0bB1 GLU 380 HG2 0.03 -0.17 0.08 -0.04 2.34 2.24 3h0bB1 GLU 380 HG3 0.02 0.04 0.03 -0.04 2.34 2.38 3h0bB1 ASP 381 H 0.02 0.13 -0.54 -0.55 8.40 7.46 3h0bB1 ASP 381 HA 0.02 0.12 0.32 -0.75 4.63 4.34 3h0bB1 ASP 381 HB2 0.01 0.20 0.04 -0.04 2.71 2.92 3h0bB1 ASP 381 HB3 0.01 -0.03 0.06 -0.04 2.70 2.70 3h0bB1 CYS 382 H 0.04 0.31 -0.57 -0.55 8.50 7.74 3h0bB1 CYS 382 HA 0.05 -0.12 0.20 -0.75 4.58 3.94 3h0bB1 CYS 382 HB2 0.06 0.12 -0.02 -0.04 2.97 3.09 3h0bB1 CYS 382 HB3 0.09 0.16 -0.10 -0.04 2.97 3.08 3h0bB1 GLY 383 H 0.06 0.18 -0.25 -0.55 8.43 7.87 3h0bB1 GLY 383 HA2 0.12 -0.03 0.45 -0.51 4.01 4.05 3h0bB1 GLY 383 HA3 0.08 0.02 0.25 -0.51 4.01 3.86 3h0bB1 TYR 384 H 0.25 0.15 0.21 -0.55 8.29 8.35 3h0bB1 TYR 384 HA 0.07 0.10 0.73 -0.75 4.56 4.70 3h0bB1 TYR 384 HB2 0.13 0.06 -0.02 -0.04 3.06 3.19 3h0bB1 TYR 384 HB3 0.13 0.19 0.12 -0.04 2.98 3.38 3h0bB1 TYR 384 HD2 0.11 0.10 -0.02 -0.04 7.15 7.31 3h0bB1 TYR 384 HE2 0.10 -0.04 0.01 -0.04 6.85 6.88 3h0bB1 ASN 385 H -0.68 0.18 0.05 -0.55 8.53 7.52 3h0bB1 ASN 385 HA -0.14 0.29 0.78 -0.75 4.76 4.93 3h0bB1 ASN 385 HB2 -0.20 -0.02 0.05 -0.04 2.88 2.67 3h0bB1 ASN 385 HB3 -0.12 0.01 0.03 -0.04 2.79 2.66 3h0bB1 ASN 385 HD21 -0.04 0.10 -0.13 -0.04 7.03 6.92 3h0bB1 ASN 385 HD22 -0.11 -0.05 -0.03 -0.04 7.74 7.51