============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. HIS 5 0.900 22.226 11.922 28.796 -99.200 -91.000 TRP 14 1.040 11.129 -11.248 22.094 -99.200 -91.000 TRP6 14 1.020 12.331 -12.917 23.275 -99.200 -91.000 TYR 17 0.840 17.217 -13.172 26.031 -99.200 -91.000 TYR 33 0.840 29.114 13.330 18.342 -99.200 -91.000 TYR 57 0.840 20.354 15.117 23.247 -99.200 -91.000 TYR 78 0.840 20.303 11.367 -5.516 -99.200 -91.000 TYR 83 0.840 16.554 5.567 -15.015 -99.200 -91.000 TYR 88 0.840 13.499 0.323 -15.691 -99.200 -91.000 TYR 92 0.840 14.076 -3.294 -18.792 -99.200 -91.000 TRP 97 1.040 11.798 -7.584 -20.353 -99.200 -91.000 TRP6 97 1.020 13.931 -7.384 -21.358 -99.200 -91.000 PHE 145 1.000 18.566 7.668 11.182 -99.200 -91.000 PHE 159 1.000 13.379 7.949 11.604 -99.200 -91.000 TYR 163 0.840 10.257 9.897 -4.250 -99.200 -91.000 TYR 165 0.840 14.397 11.471 -6.404 -99.200 -91.000 PHE 166 1.000 17.430 7.008 -10.155 -99.200 -91.000 TRP 169 1.040 8.122 -4.462 -14.813 -99.200 -91.000 TRP6 169 1.020 6.029 -4.363 -13.707 -99.200 -91.000 TRP 179 1.040 6.421 -0.167 -11.428 -99.200 -91.000 TRP6 179 1.020 8.282 0.346 -12.798 -99.200 -91.000 TYR 183 0.840 17.134 4.282 -1.209 -99.200 -91.000 HIS 193 0.900 20.781 -7.157 23.104 -99.200 -91.000 TRP 195 1.040 12.554 1.442 23.407 -99.200 -91.000 TRP6 195 1.020 12.889 2.963 25.191 -99.200 -91.000 HIS 198 0.900 6.587 7.695 23.307 -99.200 -91.000 PHE 201 1.000 9.162 4.864 12.124 -99.200 -91.000 TYR 214 0.840 5.092 5.370 -14.957 -99.200 -91.000 TYR 215 0.840 5.795 -1.425 -17.385 -99.200 -91.000 TYR 219 0.840 8.168 5.020 -11.153 -99.200 -91.000 HIS 221 0.900 8.821 7.286 -6.976 -99.200 -91.000 HIS 222 0.900 7.138 6.601 -0.337 -99.200 -91.000 TYR 234 0.840 18.155 -11.433 21.729 -99.200 -91.000 TYR 239 0.840 3.572 3.884 24.661 -99.200 -91.000 TYR 241 0.840 -0.021 8.655 13.899 -99.200 -91.000 TYR 242 0.840 5.230 1.731 12.664 -99.200 -91.000 HIS 243 0.900 0.990 9.713 9.691 -99.200 -91.000 HIS 245 0.900 5.399 3.103 4.112 -99.200 -91.000 PHE 251 1.000 9.004 -6.634 12.509 -99.200 -91.000 HIS 269 0.900 5.153 -1.658 24.593 -99.200 -91.000 HIS 270 0.900 0.851 0.400 25.206 -99.200 -91.000 TYR 273 0.840 1.293 -0.768 13.318 -99.200 -91.000 PHE 285 1.000 12.110 -18.787 8.709 -99.200 -91.000 HIS 289 0.900 4.046 -9.688 24.041 -99.200 -91.000 TYR 291 0.840 2.495 -5.354 25.251 -99.200 -91.000 TYR 294 0.840 -7.184 2.477 17.020 -99.200 -91.000 TYR 295 0.840 -2.663 -3.324 14.279 -99.200 -91.000 TYR 304 0.840 -0.512 5.650 1.657 -99.200 -91.000 PHE 306 1.000 -6.587 -3.703 7.478 -99.200 -91.000 TYR 308 0.840 -0.878 -8.435 5.408 -99.200 -91.000 TRP 310 1.040 -1.523 -8.457 13.878 -99.200 -91.000 TRP6 310 1.020 -3.111 -9.449 15.326 -99.200 -91.000 TYR 319 0.840 1.533 -14.947 23.730 -99.200 -91.000 PHE 339 1.000 1.734 -13.476 3.365 -99.200 -91.000 TYR 346 0.840 -1.913 -16.693 23.271 -99.200 -91.000 TRP 371 1.040 6.527 -17.011 21.367 -99.200 -91.000 TRP6 371 1.020 7.108 -14.830 22.094 -99.200 -91.000 HIS 376 0.900 4.067 -9.007 29.777 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2o1dA1 ALA 1 HA 0.01 -0.10 0.16 -0.75 4.34 3.66 2o1dA1 ALA 1 HB3 0.08 -0.02 -0.10 -0.04 1.41 1.34 2o1dA1 ASP 2 H 0.06 0.05 0.05 -0.55 8.40 8.01 2o1dA1 ASP 2 HA 0.07 0.21 0.64 -0.75 4.63 4.80 2o1dA1 ASP 2 HB2 0.11 -0.02 0.18 -0.04 2.71 2.94 2o1dA1 ASP 2 HB3 0.07 0.06 0.11 -0.04 2.70 2.89 2o1dA1 LEU 3 H 0.10 0.16 0.13 -0.55 8.37 8.21 2o1dA1 LEU 3 HA 0.06 0.13 0.36 -0.75 4.35 4.14 2o1dA1 LEU 3 HB2 0.06 -0.04 0.13 -0.04 1.64 1.73 2o1dA1 LEU 3 HB3 -0.01 0.06 -0.11 -0.04 1.64 1.54 2o1dA1 LEU 3 HG -0.07 0.02 -0.03 -0.04 1.64 1.51 2o1dA1 LEU 3 HD13 -0.03 0.01 -0.02 -0.04 0.93 0.85 2o1dA1 LEU 3 HD23 -0.06 0.00 -0.04 -0.04 0.89 0.76 2o1dA1 GLY 4 H 0.21 -0.01 -0.27 -0.55 8.43 7.82 2o1dA1 GLY 4 HA2 -0.22 0.08 0.27 -0.51 4.01 3.63 2o1dA1 GLY 4 HA3 -0.14 -0.01 0.16 -0.51 4.01 3.52 2o1dA1 HIS 5 H 0.25 0.14 -0.46 -0.55 8.41 7.79 2o1dA1 HIS 5 HA 0.05 0.22 0.70 -0.75 4.63 4.85 2o1dA1 HIS 5 HB2 0.07 -0.12 -0.01 -0.04 3.26 3.16 2o1dA1 HIS 5 HB3 0.05 0.05 0.05 -0.04 3.20 3.31 2o1dA1 HIS 5 HD2 0.05 0.19 0.02 -0.04 6.97 7.18 2o1dA1 HIS 5 HE1 0.19 -0.04 -0.09 -0.04 7.75 7.76 2o1dA1 GLN 6 H 0.15 0.20 -0.19 -0.55 8.47 8.09 2o1dA1 GLN 6 HA 0.15 -0.00 0.44 -0.75 4.36 4.19 2o1dA1 GLN 6 HB2 0.18 0.00 -0.01 -0.04 2.15 2.28 2o1dA1 GLN 6 HB3 0.28 0.02 -0.09 -0.04 2.02 2.19 2o1dA1 GLN 6 HG2 0.12 -0.04 -0.04 -0.04 2.40 2.40 2o1dA1 GLN 6 HG3 0.12 0.17 -0.28 -0.04 2.39 2.36 2o1dA1 GLN 6 HE21 0.05 -0.14 -0.05 -0.04 6.97 6.78 2o1dA1 GLN 6 HE22 0.07 0.65 -0.02 -0.04 7.69 8.35 2o1dA1 THR 7 H 0.13 0.07 0.13 -0.55 8.28 8.07 2o1dA1 THR 7 HA 0.19 0.20 0.80 -0.75 4.39 4.83 2o1dA1 THR 7 HB 0.04 0.11 0.17 -0.04 4.32 4.60 2o1dA1 THR 7 HG23 0.07 0.04 -0.05 -0.04 1.22 1.24 2o1dA1 LEU 8 H -0.00 0.53 0.18 -0.55 8.37 8.53 2o1dA1 LEU 8 HA -1.33 -0.03 0.59 -0.75 4.35 2.82 2o1dA1 LEU 8 HB2 -0.52 -0.03 0.06 -0.04 1.64 1.10 2o1dA1 LEU 8 HB3 -0.21 0.05 0.11 -0.04 1.64 1.54 2o1dA1 LEU 8 HG -0.39 0.17 -0.27 -0.04 1.64 1.10 2o1dA1 LEU 8 HD13 -1.56 0.00 0.03 -0.04 0.93 -0.64 2o1dA1 LEU 8 HD23 -0.12 0.02 -0.33 -0.04 0.89 0.42 2o1dA1 GLY 9 H -0.43 0.07 0.14 -0.55 8.43 7.66 2o1dA1 GLY 9 HA2 -0.09 0.09 0.34 -0.51 4.01 3.84 2o1dA1 GLY 9 HA3 -0.10 -0.05 0.30 -0.51 4.01 3.65 2o1dA1 SER 10 H -0.06 0.14 0.13 -0.55 8.46 8.12 2o1dA1 SER 10 HA -0.06 0.22 0.23 -0.75 4.49 4.12 2o1dA1 SER 10 HB2 -0.05 0.06 0.08 -0.04 3.95 4.00 2o1dA1 SER 10 HB3 -0.05 0.04 0.10 -0.04 3.93 3.98 2o1dA1 ASN 11 H -0.06 -0.04 -0.54 -0.55 8.53 7.35 2o1dA1 ASN 11 HA -0.07 0.25 0.77 -0.75 4.76 4.95 2o1dA1 ASN 11 HB2 -0.12 0.07 0.05 -0.04 2.88 2.84 2o1dA1 ASN 11 HB3 -0.08 0.02 -0.10 -0.04 2.79 2.59 2o1dA1 ASN 11 HD21 -0.02 -0.09 -0.07 -0.04 7.03 6.81 2o1dA1 ASN 11 HD22 -0.08 0.11 -0.05 -0.04 7.74 7.68 2o1dA1 ASP 12 H -0.07 0.61 -0.36 -0.55 8.40 8.03 2o1dA1 ASP 12 HA 0.06 -0.02 0.25 -0.75 4.63 4.17 2o1dA1 ASP 12 HB2 -0.04 -0.10 -0.01 -0.04 2.71 2.51 2o1dA1 ASP 12 HB3 -0.21 0.11 0.12 -0.04 2.70 2.68 2o1dA1 GLY 13 H 0.08 0.39 -0.24 -0.55 8.43 8.12 2o1dA1 GLY 13 HA2 0.16 0.27 0.38 -0.51 4.01 4.31 2o1dA1 GLY 13 HA3 0.24 -0.00 0.34 -0.51 4.01 4.08 2o1dA1 TRP 14 H 0.35 0.15 0.12 -0.55 7.97 8.03 2o1dA1 TRP 14 HA 0.18 0.07 0.29 -0.75 4.62 4.41 2o1dA1 TRP 14 HB2 0.12 0.04 -0.03 -0.04 3.23 3.33 2o1dA1 TRP 14 HB3 0.12 -0.01 -0.05 -0.04 3.23 3.24 2o1dA1 TRP 14 HD1 0.16 0.05 -0.37 -0.04 7.22 7.02 2o1dA1 TRP 14 HE1 -0.37 0.13 -0.01 -0.04 10.20 9.91 2o1dA1 TRP 14 HE3 0.08 -0.03 0.10 -0.04 7.59 7.70 2o1dA1 TRP 14 HZ2 -0.57 0.03 -0.01 -0.04 7.44 6.84 2o1dA1 TRP 14 HZ3 -0.62 0.01 0.03 -0.04 7.13 6.51 2o1dA1 TRP 14 HH2 -0.15 0.03 0.02 -0.04 7.19 7.05 2o1dA1 GLY 15 H 0.29 0.11 -0.62 -0.55 8.43 7.66 2o1dA1 GLY 15 HA2 0.27 0.21 0.01 -0.51 4.01 4.00 2o1dA1 GLY 15 HA3 0.19 0.05 0.07 -0.51 4.01 3.80 2o1dA1 ALA 16 H 0.15 0.48 -0.58 -0.55 8.40 7.90 2o1dA1 ALA 16 HA 0.04 0.02 0.47 -0.75 4.34 4.11 2o1dA1 ALA 16 HB3 -0.01 0.05 -0.25 -0.04 1.41 1.16 2o1dA1 TYR 17 H 0.34 0.33 -0.44 -0.55 8.29 7.97 2o1dA1 TYR 17 HA 0.03 0.01 0.34 -0.75 4.56 4.18 2o1dA1 TYR 17 HB2 0.38 -0.01 0.14 -0.04 3.06 3.52 2o1dA1 TYR 17 HB3 -0.32 0.02 0.05 -0.04 2.98 2.69 2o1dA1 TYR 17 HD2 -0.40 -0.01 -0.07 -0.04 7.15 6.64 2o1dA1 TYR 17 HE2 0.06 -0.00 0.01 -0.04 6.85 6.88 2o1dA1 SER 18 H -0.85 0.06 0.14 -0.55 8.46 7.26 2o1dA1 SER 18 HA -0.35 0.01 0.37 -0.75 4.49 3.77 2o1dA1 SER 18 HB2 -0.12 0.03 0.15 -0.04 3.95 3.97 2o1dA1 SER 18 HB3 -0.34 -0.01 0.05 -0.04 3.93 3.58 2o1dA1 THR 19 H -0.17 0.09 0.23 -0.55 8.28 7.87 2o1dA1 THR 19 HA -0.14 0.03 0.40 -0.75 4.39 3.93 2o1dA1 THR 19 HB -0.19 0.02 0.12 -0.04 4.32 4.23 2o1dA1 THR 19 HG23 -0.08 -0.03 0.05 -0.04 1.22 1.12 2o1dA1 GLY 20 H -0.22 0.45 -0.36 -0.55 8.43 7.76 2o1dA1 GLY 20 HA2 0.05 0.10 0.13 -0.51 4.01 3.78 2o1dA1 GLY 20 HA3 -0.06 0.03 0.26 -0.51 4.01 3.73 2o1dA1 THR 21 H 0.00 0.18 0.02 -0.55 8.28 7.94 2o1dA1 THR 21 HA 0.08 0.13 0.92 -0.75 4.39 4.76 2o1dA1 THR 21 HB 0.08 -0.08 -0.01 -0.04 4.32 4.27 2o1dA1 THR 21 HG23 0.23 -0.01 -0.24 -0.04 1.22 1.16 2o1dA1 THR 22 H 0.04 0.21 0.10 -0.55 8.28 8.08 2o1dA1 THR 22 HA 0.07 0.12 0.87 -0.75 4.39 4.70 2o1dA1 THR 22 HB 0.03 -0.03 0.01 -0.04 4.32 4.29 2o1dA1 THR 22 HG23 -0.00 0.01 -0.16 -0.04 1.22 1.02 2o1dA1 GLY 23 H 0.09 -0.06 -0.06 -0.55 8.43 7.85 2o1dA1 GLY 23 HA2 0.07 0.28 0.11 -0.51 4.01 3.96 2o1dA1 GLY 23 HA3 0.08 0.01 0.21 -0.51 4.01 3.80 2o1dA1 GLY 24 H 0.01 0.15 -0.05 -0.55 8.43 7.99 2o1dA1 GLY 24 HA2 0.01 0.17 0.67 -0.51 4.01 4.34 2o1dA1 GLY 24 HA3 -0.01 0.32 0.37 -0.51 4.01 4.17 2o1dA1 SER 25 H 0.02 0.54 -0.22 -0.55 8.46 8.25 2o1dA1 SER 25 HA -0.05 0.06 0.33 -0.75 4.49 4.08 2o1dA1 SER 25 HB2 0.08 0.00 0.03 -0.04 3.95 4.03 2o1dA1 SER 25 HB3 0.07 0.15 -0.05 -0.04 3.93 4.05 2o1dA1 LYS 26 H 0.02 0.09 -0.53 -0.55 8.42 7.45 2o1dA1 LYS 26 HA 0.05 0.12 0.52 -0.75 4.32 4.26 2o1dA1 LYS 26 HB2 0.02 0.04 -0.01 -0.04 1.87 1.87 2o1dA1 LYS 26 HB3 0.02 -0.04 0.11 -0.04 1.79 1.83 2o1dA1 LYS 26 HG2 0.03 -0.00 -0.05 -0.04 1.46 1.39 2o1dA1 LYS 26 HG3 0.03 -0.02 -0.12 -0.04 1.46 1.31 2o1dA1 LYS 26 HD2 0.01 0.04 -0.02 -0.04 1.69 1.67 2o1dA1 LYS 26 HD3 0.01 -0.04 -0.01 -0.04 1.68 1.61 2o1dA1 LYS 26 HE2 0.00 -0.03 -0.02 -0.04 2.99 2.90 2o1dA1 LYS 26 HE3 0.01 -0.02 -0.04 -0.04 2.99 2.90 2o1dA1 ALA 27 H -0.00 0.55 -0.48 -0.55 8.40 7.92 2o1dA1 ALA 27 HA 0.01 0.06 0.29 -0.75 4.34 3.95 2o1dA1 ALA 27 HB3 -0.02 -0.02 -0.18 -0.04 1.41 1.15 2o1dA1 SER 28 H 0.01 0.12 0.20 -0.55 8.46 8.24 2o1dA1 SER 28 HA 0.02 0.13 0.69 -0.75 4.49 4.58 2o1dA1 SER 28 HB2 0.00 -0.12 0.17 -0.04 3.95 3.97 2o1dA1 SER 28 HB3 0.01 0.09 0.16 -0.04 3.93 4.16 2o1dA1 SER 29 H 0.00 0.11 0.14 -0.55 8.46 8.17 2o1dA1 SER 29 HA 0.00 0.15 0.20 -0.75 4.49 4.08 2o1dA1 SER 29 HB2 -0.01 0.03 0.04 -0.04 3.95 3.97 2o1dA1 SER 29 HB3 0.00 0.03 0.12 -0.04 3.93 4.04 2o1dA1 SER 30 H -0.04 0.05 -0.16 -0.55 8.46 7.76 2o1dA1 SER 30 HA -0.11 0.16 0.60 -0.75 4.49 4.38 2o1dA1 SER 30 HB2 -0.05 0.04 0.15 -0.04 3.95 4.05 2o1dA1 SER 30 HB3 -0.03 -0.06 0.08 -0.04 3.93 3.88 2o1dA1 ASN 31 H -0.10 0.40 -0.49 -0.55 8.53 7.80 2o1dA1 ASN 31 HA -0.26 0.20 0.84 -0.75 4.76 4.78 2o1dA1 ASN 31 HB2 -0.01 0.02 0.14 -0.04 2.88 2.99 2o1dA1 ASN 31 HB3 0.06 0.12 0.28 -0.04 2.79 3.21 2o1dA1 ASN 31 HD21 0.07 -0.10 -0.07 -0.04 7.03 6.89 2o1dA1 ASN 31 HD22 0.16 0.11 0.02 -0.04 7.74 7.99 2o1dA1 VAL 32 H -0.25 0.25 -0.19 -0.55 8.24 7.51 2o1dA1 VAL 32 HA -0.00 0.23 1.05 -0.75 4.13 4.65 2o1dA1 VAL 32 HB -0.01 0.02 0.13 -0.04 2.12 2.22 2o1dA1 VAL 32 HG13 0.22 -0.03 -0.11 -0.04 0.97 1.01 2o1dA1 VAL 32 HG23 0.04 0.02 -0.15 -0.04 0.95 0.81 2o1dA1 TYR 33 H 0.23 0.79 0.39 -0.55 8.29 9.15 2o1dA1 TYR 33 HA 0.06 0.15 0.96 -0.75 4.56 4.97 2o1dA1 TYR 33 HB2 0.03 -0.04 0.03 -0.04 3.06 3.05 2o1dA1 TYR 33 HB3 0.03 -0.04 -0.00 -0.04 2.98 2.93 2o1dA1 TYR 33 HD2 0.01 0.04 -0.08 -0.04 7.15 7.08 2o1dA1 TYR 33 HE2 0.00 0.01 -0.04 -0.04 6.85 6.79 2o1dA1 THR 34 H 0.16 0.25 0.19 -0.55 8.28 8.32 2o1dA1 THR 34 HA 0.19 0.24 0.89 -0.75 4.39 4.95 2o1dA1 THR 34 HB 0.06 -0.03 0.14 -0.04 4.32 4.44 2o1dA1 THR 34 HG23 0.05 -0.01 -0.09 -0.04 1.22 1.12 2o1dA1 VAL 35 H 0.10 0.84 0.34 -0.55 8.24 8.97 2o1dA1 VAL 35 HA 0.05 0.11 0.97 -0.75 4.13 4.51 2o1dA1 VAL 35 HB 0.02 -0.13 -0.12 -0.04 2.12 1.85 2o1dA1 VAL 35 HG13 0.03 0.03 -0.36 -0.04 0.97 0.63 2o1dA1 VAL 35 HG23 0.04 0.04 -0.12 -0.04 0.95 0.86 2o1dA1 SER 36 H 0.02 0.00 0.23 -0.55 8.46 8.17 2o1dA1 SER 36 HA 0.01 0.33 0.92 -0.75 4.49 5.00 2o1dA1 SER 36 HB2 0.01 0.05 0.18 -0.04 3.95 4.15 2o1dA1 SER 36 HB3 0.01 -0.01 -0.09 -0.04 3.93 3.80 2o1dA1 ASN 37 H 0.02 0.01 0.21 -0.55 8.53 8.22 2o1dA1 ASN 37 HA 0.01 0.24 0.55 -0.75 4.76 4.80 2o1dA1 ASN 37 HB2 0.01 -0.02 0.23 -0.04 2.88 3.06 2o1dA1 ASN 37 HB3 0.01 0.22 0.02 -0.04 2.79 2.99 2o1dA1 ASN 37 HD21 0.01 0.04 -0.01 -0.04 7.03 7.03 2o1dA1 ASN 37 HD22 0.01 0.12 -0.08 -0.04 7.74 7.75 2o1dA1 ARG 38 H 0.02 0.27 0.16 -0.55 8.46 8.36 2o1dA1 ARG 38 HA 0.03 0.10 0.38 -0.75 4.34 4.10 2o1dA1 ARG 38 HB2 0.03 0.18 0.12 -0.04 1.90 2.19 2o1dA1 ARG 38 HB3 0.02 -0.03 0.12 -0.04 1.80 1.86 2o1dA1 ARG 38 HG2 0.02 -0.08 -0.15 -0.04 1.67 1.43 2o1dA1 ARG 38 HG3 0.04 0.02 0.05 -0.04 1.67 1.74 2o1dA1 ARG 38 HD2 0.05 0.10 0.13 -0.04 3.22 3.46 2o1dA1 ARG 38 HD3 0.04 -0.03 -0.00 -0.04 3.22 3.18 2o1dA1 ASN 39 H 0.01 0.10 -0.06 -0.55 8.53 8.03 2o1dA1 ASN 39 HA 0.00 0.14 0.43 -0.75 4.76 4.58 2o1dA1 ASN 39 HB2 0.01 -0.08 0.08 -0.04 2.88 2.85 2o1dA1 ASN 39 HB3 0.01 0.05 0.01 -0.04 2.79 2.82 2o1dA1 ASN 39 HD21 0.01 0.48 0.08 -0.04 7.03 7.56 2o1dA1 ASN 39 HD22 0.01 -0.08 0.03 -0.04 7.74 7.65 2o1dA1 GLN 40 H 0.01 0.01 -0.27 -0.55 8.47 7.67 2o1dA1 GLN 40 HA 0.00 0.12 0.42 -0.75 4.36 4.15 2o1dA1 GLN 40 HB2 0.02 -0.19 0.20 -0.04 2.15 2.14 2o1dA1 GLN 40 HB3 0.03 0.13 0.10 -0.04 2.02 2.24 2o1dA1 GLN 40 HG2 0.02 0.09 0.05 -0.04 2.40 2.52 2o1dA1 GLN 40 HG3 0.02 -0.07 0.05 -0.04 2.39 2.35 2o1dA1 GLN 40 HE21 0.02 0.03 0.03 -0.04 6.97 7.01 2o1dA1 GLN 40 HE22 0.02 0.02 0.03 -0.04 7.69 7.71 2o1dA1 LEU 41 H -0.00 0.43 -0.10 -0.55 8.37 8.16 2o1dA1 LEU 41 HA -0.05 0.03 0.42 -0.75 4.35 3.99 2o1dA1 LEU 41 HB2 0.02 -0.06 0.01 -0.04 1.64 1.57 2o1dA1 LEU 41 HB3 0.01 0.07 0.13 -0.04 1.64 1.80 2o1dA1 LEU 41 HG -0.05 0.07 -0.30 -0.04 1.64 1.31 2o1dA1 LEU 41 HD13 -0.06 -0.01 -0.07 -0.04 0.93 0.75 2o1dA1 LEU 41 HD23 0.16 -0.00 -0.11 -0.04 0.89 0.89 2o1dA1 VAL 42 H -0.02 0.65 -0.01 -0.55 8.24 8.30 2o1dA1 VAL 42 HA -0.06 0.07 0.44 -0.75 4.13 3.83 2o1dA1 VAL 42 HB -0.01 0.03 0.15 -0.04 2.12 2.24 2o1dA1 VAL 42 HG13 -0.02 -0.01 -0.09 -0.04 0.97 0.81 2o1dA1 VAL 42 HG23 -0.00 0.01 0.04 -0.04 0.95 0.96 2o1dA1 SER 43 H -0.05 0.48 -0.13 -0.55 8.46 8.22 2o1dA1 SER 43 HA -0.05 -0.01 0.46 -0.75 4.49 4.13 2o1dA1 SER 43 HB2 -0.03 0.05 0.17 -0.04 3.95 4.10 2o1dA1 SER 43 HB3 -0.02 -0.03 0.00 -0.04 3.93 3.84 2o1dA1 ALA 44 H -0.19 0.43 -0.19 -0.55 8.40 7.91 2o1dA1 ALA 44 HA -0.95 0.00 0.35 -0.75 4.34 2.99 2o1dA1 ALA 44 HB3 -0.53 -0.01 0.05 -0.04 1.41 0.88 2o1dA1 LEU 45 H -0.20 0.46 -0.09 -0.55 8.37 7.99 2o1dA1 LEU 45 HA -0.16 0.02 0.39 -0.75 4.35 3.84 2o1dA1 LEU 45 HB2 -0.12 0.02 0.16 -0.04 1.64 1.67 2o1dA1 LEU 45 HB3 -0.12 0.09 0.05 -0.04 1.64 1.62 2o1dA1 LEU 45 HG -0.17 0.02 0.03 -0.04 1.64 1.47 2o1dA1 LEU 45 HD13 -0.21 -0.03 -0.15 -0.04 0.93 0.50 2o1dA1 LEU 45 HD23 -0.20 -0.02 -0.04 -0.04 0.89 0.59 2o1dA1 GLY 46 H -0.11 0.38 -0.19 -0.55 8.43 7.98 2o1dA1 GLY 46 HA2 -0.05 -0.05 0.33 -0.51 4.01 3.74 2o1dA1 GLY 46 HA3 -0.05 -0.01 0.47 -0.51 4.01 3.91 2o1dA1 LYS 47 H -0.02 0.02 0.19 -0.55 8.42 8.05 2o1dA1 LYS 47 HA -0.02 0.25 0.73 -0.75 4.32 4.52 2o1dA1 LYS 47 HB2 -0.01 -0.03 0.11 -0.04 1.87 1.91 2o1dA1 LYS 47 HB3 -0.01 -0.15 0.19 -0.04 1.79 1.78 2o1dA1 LYS 47 HG2 -0.01 0.04 -0.00 -0.04 1.46 1.45 2o1dA1 LYS 47 HG3 -0.01 0.03 -0.18 -0.04 1.46 1.25 2o1dA1 LYS 47 HD2 -0.00 -0.01 0.02 -0.04 1.69 1.66 2o1dA1 LYS 47 HD3 -0.00 -0.03 0.02 -0.04 1.68 1.63 2o1dA1 LYS 47 HE2 -0.00 0.01 -0.01 -0.04 2.99 2.95 2o1dA1 LYS 47 HE3 -0.00 0.04 -0.03 -0.04 2.99 2.96 2o1dA1 GLU 48 H -0.01 0.12 0.14 -0.55 8.60 8.31 2o1dA1 GLU 48 HA -0.01 0.17 0.33 -0.75 4.29 4.03 2o1dA1 GLU 48 HB2 -0.00 -0.03 0.03 -0.04 2.09 2.05 2o1dA1 GLU 48 HB3 -0.00 0.03 0.06 -0.04 1.99 2.04 2o1dA1 GLU 48 HG2 -0.01 0.07 -0.01 -0.04 2.34 2.36 2o1dA1 GLU 48 HG3 -0.00 -0.05 0.10 -0.04 2.34 2.35 2o1dA1 THR 49 H -0.00 -0.02 -0.31 -0.55 8.28 7.40 2o1dA1 THR 49 HA 0.00 0.10 0.48 -0.75 4.39 4.23 2o1dA1 THR 49 HB 0.01 0.01 0.11 -0.04 4.32 4.40 2o1dA1 THR 49 HG23 0.00 -0.01 0.01 -0.04 1.22 1.18 2o1dA1 ASN 50 H -0.00 0.50 -0.48 -0.55 8.53 8.00 2o1dA1 ASN 50 HA 0.01 -0.05 0.63 -0.75 4.76 4.60 2o1dA1 ASN 50 HB2 -0.01 -0.30 0.16 -0.04 2.88 2.70 2o1dA1 ASN 50 HB3 -0.02 0.32 0.27 -0.04 2.79 3.32 2o1dA1 ASN 50 HD21 -0.02 0.04 0.01 -0.04 7.03 7.02 2o1dA1 ASN 50 HD22 -0.06 0.57 -0.13 -0.04 7.74 8.08 2o1dA1 THR 51 H 0.01 0.23 0.04 -0.55 8.28 8.01 2o1dA1 THR 51 HA 0.01 0.36 0.59 -0.75 4.39 4.60 2o1dA1 THR 51 HB 0.01 -0.04 0.07 -0.04 4.32 4.32 2o1dA1 THR 51 HG23 0.01 -0.04 -0.05 -0.04 1.22 1.10 2o1dA1 THR 52 H 0.02 -0.06 -0.07 -0.55 8.28 7.63 2o1dA1 THR 52 HA 0.02 -0.03 0.49 -0.75 4.39 4.12 2o1dA1 THR 52 HB 0.04 0.19 -0.20 -0.04 4.32 4.31 2o1dA1 THR 52 HG23 0.02 -0.04 0.07 -0.04 1.22 1.23 2o1dA1 PRO 53 HA 0.02 0.38 0.68 -0.51 4.44 5.01 2o1dA1 PRO 53 HB2 0.02 -0.07 -0.24 -0.04 2.28 1.94 2o1dA1 PRO 53 HB3 0.01 -0.11 -0.05 -0.04 2.02 1.84 2o1dA1 PRO 53 HG2 0.02 -0.02 -0.01 -0.04 2.03 1.97 2o1dA1 PRO 53 HG3 0.02 0.06 0.08 -0.04 2.03 2.15 2o1dA1 PRO 53 HD2 0.02 -0.04 0.22 -0.04 3.68 3.83 2o1dA1 PRO 53 HD3 0.02 0.16 0.23 -0.04 3.65 4.01 2o1dA1 LYS 54 H 0.02 0.50 0.52 -0.55 8.42 8.91 2o1dA1 LYS 54 HA 0.05 0.18 0.96 -0.75 4.32 4.76 2o1dA1 LYS 54 HB2 0.25 0.02 0.12 -0.04 1.87 2.23 2o1dA1 LYS 54 HB3 0.11 0.06 -0.11 -0.04 1.79 1.81 2o1dA1 LYS 54 HG2 0.02 0.08 0.16 -0.04 1.46 1.69 2o1dA1 LYS 54 HG3 0.03 -0.16 -0.19 -0.04 1.46 1.10 2o1dA1 LYS 54 HD2 -0.03 -0.10 -0.06 -0.04 1.69 1.45 2o1dA1 LYS 54 HD3 0.00 0.04 -0.04 -0.04 1.68 1.64 2o1dA1 LYS 54 HE2 -0.00 0.08 0.04 -0.04 2.99 3.06 2o1dA1 LYS 54 HE3 0.05 -0.14 -0.09 -0.04 2.99 2.76 2o1dA1 ILE 55 H 0.05 0.58 0.45 -0.55 8.25 8.78 2o1dA1 ILE 55 HA -0.10 0.21 1.15 -0.75 4.18 4.68 2o1dA1 ILE 55 HB -0.08 -0.08 0.15 -0.04 1.89 1.83 2o1dA1 ILE 55 HG12 -0.22 0.09 -0.11 -0.04 1.49 1.20 2o1dA1 ILE 55 HG13 -0.13 0.03 -0.36 -0.04 1.21 0.71 2o1dA1 ILE 55 HG23 -0.49 -0.04 -0.10 -0.04 0.93 0.25 2o1dA1 ILE 55 HD13 -0.62 -0.04 -0.20 -0.04 0.88 -0.01 2o1dA1 ILE 56 H -0.13 0.79 0.41 -0.55 8.25 8.77 2o1dA1 ILE 56 HA 0.11 0.18 1.03 -0.75 4.18 4.76 2o1dA1 ILE 56 HB -0.04 -0.02 0.15 -0.04 1.89 1.94 2o1dA1 ILE 56 HG12 -0.02 -0.02 -0.13 -0.04 1.49 1.28 2o1dA1 ILE 56 HG13 0.05 -0.01 -0.56 -0.04 1.21 0.65 2o1dA1 ILE 56 HG23 0.01 -0.03 -0.23 -0.04 0.93 0.64 2o1dA1 ILE 56 HD13 -0.13 0.03 -0.20 -0.04 0.88 0.54 2o1dA1 TYR 57 H 0.23 0.76 0.32 -0.55 8.29 9.06 2o1dA1 TYR 57 HA 0.02 0.27 0.96 -0.75 4.56 5.05 2o1dA1 TYR 57 HB2 0.03 -0.01 0.25 -0.04 3.06 3.29 2o1dA1 TYR 57 HB3 0.01 -0.05 0.00 -0.04 2.98 2.91 2o1dA1 TYR 57 HD2 0.03 0.13 -0.08 -0.04 7.15 7.18 2o1dA1 TYR 57 HE2 0.05 -0.05 -0.08 -0.04 6.85 6.73 2o1dA1 ILE 58 H 0.06 0.78 0.39 -0.55 8.25 8.93 2o1dA1 ILE 58 HA 0.05 0.24 0.95 -0.75 4.18 4.66 2o1dA1 ILE 58 HB -0.02 -0.04 0.06 -0.04 1.89 1.85 2o1dA1 ILE 58 HG12 0.05 0.00 -0.14 -0.04 1.49 1.36 2o1dA1 ILE 58 HG13 0.04 0.04 -0.22 -0.04 1.21 1.03 2o1dA1 ILE 58 HG23 -0.04 -0.00 -0.21 -0.04 0.93 0.64 2o1dA1 ILE 58 HD13 0.07 -0.00 -0.19 -0.04 0.88 0.72 2o1dA1 LYS 59 H 0.03 0.78 0.30 -0.55 8.42 8.98 2o1dA1 LYS 59 HA 0.01 0.07 0.93 -0.75 4.32 4.58 2o1dA1 LYS 59 HB2 0.03 -0.02 -0.07 -0.04 1.87 1.77 2o1dA1 LYS 59 HB3 0.02 0.01 0.05 -0.04 1.79 1.83 2o1dA1 LYS 59 HG2 -0.00 0.00 -0.14 -0.04 1.46 1.27 2o1dA1 LYS 59 HG3 -0.00 -0.02 0.01 -0.04 1.46 1.40 2o1dA1 LYS 59 HD2 -0.01 -0.01 -0.05 -0.04 1.69 1.58 2o1dA1 LYS 59 HD3 0.01 0.00 -0.07 -0.04 1.68 1.57 2o1dA1 LYS 59 HE2 -0.01 0.00 -0.05 -0.04 2.99 2.90 2o1dA1 LYS 59 HE3 -0.01 -0.02 -0.03 -0.04 2.99 2.89 2o1dA1 GLY 60 H -0.02 0.13 0.10 -0.55 8.43 8.09 2o1dA1 GLY 60 HA2 -0.03 0.07 0.30 -0.51 4.01 3.85 2o1dA1 GLY 60 HA3 -0.02 0.04 0.51 -0.51 4.01 4.03 2o1dA1 THR 61 H -0.03 0.13 0.24 -0.55 8.28 8.07 2o1dA1 THR 61 HA -0.06 0.15 0.73 -0.75 4.39 4.45 2o1dA1 THR 61 HB -0.03 -0.01 0.19 -0.04 4.32 4.43 2o1dA1 THR 61 HG23 -0.04 -0.03 -0.22 -0.04 1.22 0.90 2o1dA1 ILE 62 H -0.06 0.86 0.32 -0.55 8.25 8.83 2o1dA1 ILE 62 HA -0.01 0.15 0.91 -0.75 4.18 4.48 2o1dA1 ILE 62 HB -0.01 0.03 0.14 -0.04 1.89 2.01 2o1dA1 ILE 62 HG12 0.00 -0.00 -0.63 -0.04 1.49 0.83 2o1dA1 ILE 62 HG13 -0.01 0.10 -0.35 -0.04 1.21 0.91 2o1dA1 ILE 62 HG23 0.03 -0.05 -0.37 -0.04 0.93 0.50 2o1dA1 ILE 62 HD13 0.03 0.02 -0.29 -0.04 0.88 0.60 2o1dA1 ASP 63 H -0.00 0.22 0.07 -0.55 8.40 8.14 2o1dA1 ASP 63 HA 0.00 0.15 0.83 -0.75 4.63 4.86 2o1dA1 ASP 63 HB2 -0.00 -0.00 0.05 -0.04 2.71 2.71 2o1dA1 ASP 63 HB3 0.01 0.02 0.11 -0.04 2.70 2.80 2o1dA1 MET 64 H 0.03 0.72 0.32 -0.55 8.47 8.99 2o1dA1 MET 64 HA 0.05 0.08 0.57 -0.75 4.52 4.46 2o1dA1 MET 64 HB2 0.04 0.02 -0.14 -0.04 2.15 2.02 2o1dA1 MET 64 HB3 0.05 0.15 0.02 -0.04 2.03 2.21 2o1dA1 MET 64 HG2 0.05 -0.01 -0.10 -0.04 2.63 2.53 2o1dA1 MET 64 HG3 0.11 -0.02 -0.04 -0.04 2.56 2.57 2o1dA1 MET 64 HE3 0.10 0.07 -0.05 -0.04 2.10 2.18 2o1dA1 ASN 65 H 0.06 0.05 -0.10 -0.55 8.53 8.00 2o1dA1 ASN 65 HA 0.19 0.20 0.68 -0.75 4.76 5.08 2o1dA1 ASN 65 HB2 0.11 -0.07 0.20 -0.04 2.88 3.08 2o1dA1 ASN 65 HB3 0.20 0.12 0.27 -0.04 2.79 3.34 2o1dA1 ASN 65 HD21 0.10 0.10 0.12 -0.04 7.03 7.31 2o1dA1 ASN 65 HD22 0.09 -0.07 0.09 -0.04 7.74 7.81 2o1dA1 VAL 66 H 0.08 0.60 -0.24 -0.55 8.24 8.13 2o1dA1 VAL 66 HA 0.01 0.18 0.70 -0.75 4.13 4.27 2o1dA1 VAL 66 HB 0.01 -0.16 -0.29 -0.04 2.12 1.63 2o1dA1 VAL 66 HG13 0.02 -0.04 -0.41 -0.04 0.97 0.49 2o1dA1 VAL 66 HG23 0.03 0.02 -0.08 -0.04 0.95 0.88 2o1dA1 ASP 67 H -0.00 0.50 0.11 -0.55 8.40 8.47 2o1dA1 ASP 67 HA 0.03 0.25 0.65 -0.75 4.63 4.80 2o1dA1 ASP 67 HB2 0.00 -0.04 0.20 -0.04 2.71 2.82 2o1dA1 ASP 67 HB3 -0.02 0.12 0.07 -0.04 2.70 2.84 2o1dA1 ASP 68 H 0.01 0.19 0.16 -0.55 8.40 8.21 2o1dA1 ASP 68 HA 0.01 0.15 0.42 -0.75 4.63 4.46 2o1dA1 ASP 68 HB2 0.01 -0.02 0.12 -0.04 2.71 2.78 2o1dA1 ASP 68 HB3 0.01 0.03 0.11 -0.04 2.70 2.81 2o1dA1 ASN 69 H 0.00 0.01 -0.32 -0.55 8.53 7.68 2o1dA1 ASN 69 HA 0.00 0.25 0.87 -0.75 4.76 5.13 2o1dA1 ASN 69 HB2 -0.00 -0.05 0.04 -0.04 2.88 2.82 2o1dA1 ASN 69 HB3 -0.00 0.05 0.16 -0.04 2.79 2.96 2o1dA1 ASN 69 HD21 0.00 0.04 -0.02 -0.04 7.03 7.00 2o1dA1 ASN 69 HD22 -0.00 -0.01 0.00 -0.04 7.74 7.68 2o1dA1 LEU 70 H 0.01 0.53 -0.37 -0.55 8.37 7.99 2o1dA1 LEU 70 HA 0.01 0.09 0.22 -0.75 4.35 3.92 2o1dA1 LEU 70 HB2 0.00 0.19 0.03 -0.04 1.64 1.82 2o1dA1 LEU 70 HB3 0.00 -0.02 0.18 -0.04 1.64 1.76 2o1dA1 LEU 70 HG 0.01 0.02 -0.36 -0.04 1.64 1.26 2o1dA1 LEU 70 HD13 0.01 0.00 -0.01 -0.04 0.93 0.88 2o1dA1 LEU 70 HD23 0.01 -0.01 0.05 -0.04 0.89 0.89 2o1dA1 LYS 71 H -0.00 -0.11 -0.41 -0.55 8.42 7.34 2o1dA1 LYS 71 HA -0.01 0.19 0.69 -0.75 4.32 4.44 2o1dA1 LYS 71 HB2 -0.02 -0.15 0.06 -0.04 1.87 1.73 2o1dA1 LYS 71 HB3 -0.02 0.11 0.02 -0.04 1.79 1.85 2o1dA1 LYS 71 HG2 -0.01 0.06 0.00 -0.04 1.46 1.47 2o1dA1 LYS 71 HG3 -0.01 0.03 -0.12 -0.04 1.46 1.32 2o1dA1 LYS 71 HD2 -0.01 -0.07 -0.01 -0.04 1.69 1.56 2o1dA1 LYS 71 HD3 -0.02 0.02 0.00 -0.04 1.68 1.65 2o1dA1 LYS 71 HE2 -0.01 0.03 -0.00 -0.04 2.99 2.97 2o1dA1 LYS 71 HE3 -0.01 -0.02 0.00 -0.04 2.99 2.92 2o1dA1 PRO 72 HA -0.01 0.25 0.54 -0.51 4.44 4.70 2o1dA1 PRO 72 HB2 -0.03 -0.05 0.03 -0.04 2.28 2.18 2o1dA1 PRO 72 HB3 -0.01 0.05 0.10 -0.04 2.02 2.11 2o1dA1 PRO 72 HG2 -0.02 -0.00 0.11 -0.04 2.03 2.07 2o1dA1 PRO 72 HG3 -0.01 0.07 0.12 -0.04 2.03 2.17 2o1dA1 PRO 72 HD2 -0.02 0.04 0.23 -0.04 3.68 3.89 2o1dA1 PRO 72 HD3 -0.01 0.27 0.36 -0.04 3.65 4.22 2o1dA1 LEU 73 H -0.02 0.76 0.30 -0.55 8.37 8.87 2o1dA1 LEU 73 HA -0.19 0.08 0.88 -0.75 4.35 4.37 2o1dA1 LEU 73 HB2 -0.13 0.01 -0.15 -0.04 1.64 1.33 2o1dA1 LEU 73 HB3 -0.70 -0.00 -0.08 -0.04 1.64 0.81 2o1dA1 LEU 73 HG -0.07 0.02 -0.30 -0.04 1.64 1.26 2o1dA1 LEU 73 HD13 0.01 0.01 -0.28 -0.04 0.93 0.63 2o1dA1 LEU 73 HD23 -0.15 0.00 -0.06 -0.04 0.89 0.64 2o1dA1 GLY 74 H -0.32 0.07 0.12 -0.55 8.43 7.76 2o1dA1 GLY 74 HA2 -0.40 0.30 0.88 -0.51 4.01 4.28 2o1dA1 GLY 74 HA3 -0.28 0.00 0.31 -0.51 4.01 3.54 2o1dA1 LEU 75 H -0.68 0.21 0.15 -0.55 8.37 7.51 2o1dA1 LEU 75 HA -0.41 0.10 0.35 -0.75 4.35 3.64 2o1dA1 LEU 75 HB2 -0.23 0.06 0.18 -0.04 1.64 1.60 2o1dA1 LEU 75 HB3 -0.08 -0.04 0.14 -0.04 1.64 1.62 2o1dA1 LEU 75 HG -0.21 0.03 0.04 -0.04 1.64 1.46 2o1dA1 LEU 75 HD13 0.17 0.01 0.05 -0.04 0.93 1.12 2o1dA1 LEU 75 HD23 0.29 -0.02 -0.19 -0.04 0.89 0.92 2o1dA1 ASN 76 H -0.10 0.08 -0.11 -0.55 8.53 7.84 2o1dA1 ASN 76 HA 0.07 0.11 0.35 -0.75 4.76 4.54 2o1dA1 ASN 76 HB2 -0.04 -0.05 0.05 -0.04 2.88 2.80 2o1dA1 ASN 76 HB3 -0.01 0.09 0.01 -0.04 2.79 2.84 2o1dA1 ASN 76 HD21 0.01 0.01 0.01 -0.04 7.03 7.02 2o1dA1 ASN 76 HD22 -0.01 0.01 0.02 -0.04 7.74 7.71 2o1dA1 ASP 77 H -0.19 0.06 -0.35 -0.55 8.40 7.38 2o1dA1 ASP 77 HA -0.08 0.11 0.56 -0.75 4.63 4.46 2o1dA1 ASP 77 HB2 -0.54 0.11 0.09 -0.04 2.71 2.33 2o1dA1 ASP 77 HB3 -0.26 0.04 0.02 -0.04 2.70 2.46 2o1dA1 TYR 78 H -0.02 0.28 -0.17 -0.55 8.29 7.83 2o1dA1 TYR 78 HA 0.07 0.11 0.44 -0.75 4.56 4.43 2o1dA1 TYR 78 HB2 0.35 0.02 0.05 -0.04 3.06 3.43 2o1dA1 TYR 78 HB3 0.33 0.02 -0.03 -0.04 2.98 3.26 2o1dA1 TYR 78 HD2 0.02 -0.02 -0.26 -0.04 7.15 6.86 2o1dA1 TYR 78 HE2 0.13 0.05 -0.11 -0.04 6.85 6.88 2o1dA1 LYS 79 H 0.25 0.29 -0.09 -0.55 8.42 8.31 2o1dA1 LYS 79 HA 0.01 -0.14 0.28 -0.75 4.32 3.72 2o1dA1 LYS 79 HB2 0.34 0.02 0.03 -0.04 1.87 2.21 2o1dA1 LYS 79 HB3 0.16 0.07 0.04 -0.04 1.79 2.02 2o1dA1 LYS 79 HG2 0.23 0.37 -0.16 -0.04 1.46 1.85 2o1dA1 LYS 79 HG3 0.58 -0.17 -0.06 -0.04 1.46 1.77 2o1dA1 LYS 79 HD2 0.23 -0.02 -0.05 -0.04 1.69 1.81 2o1dA1 LYS 79 HD3 0.21 -0.14 -0.06 -0.04 1.68 1.66 2o1dA1 LYS 79 HE2 0.08 -0.12 -0.00 -0.04 2.99 2.90 2o1dA1 LYS 79 HE3 0.10 -0.00 -0.07 -0.04 2.99 2.98 2o1dA1 ASP 80 H -0.13 0.02 0.20 -0.55 8.40 7.94 2o1dA1 ASP 80 HA 0.02 0.18 0.61 -0.75 4.63 4.69 2o1dA1 ASP 80 HB2 -0.06 0.07 0.16 -0.04 2.71 2.83 2o1dA1 ASP 80 HB3 0.04 -0.13 0.14 -0.04 2.70 2.70 2o1dA1 PRO 81 HA 0.05 0.13 0.39 -0.51 4.44 4.51 2o1dA1 PRO 81 HB2 0.03 -0.03 0.01 -0.04 2.28 2.25 2o1dA1 PRO 81 HB3 0.03 0.03 0.09 -0.04 2.02 2.13 2o1dA1 PRO 81 HG2 0.03 0.01 0.09 -0.04 2.03 2.11 2o1dA1 PRO 81 HG3 0.03 0.10 0.10 -0.04 2.03 2.22 2o1dA1 PRO 81 HD2 0.03 0.02 0.22 -0.04 3.68 3.91 2o1dA1 PRO 81 HD3 0.03 0.26 0.25 -0.04 3.65 4.15 2o1dA1 GLU 82 H 0.06 0.02 -0.41 -0.55 8.60 7.73 2o1dA1 GLU 82 HA 0.05 0.17 0.57 -0.75 4.29 4.33 2o1dA1 GLU 82 HB2 0.07 -0.02 -0.02 -0.04 2.09 2.07 2o1dA1 GLU 82 HB3 0.06 -0.04 0.02 -0.04 1.99 2.00 2o1dA1 GLU 82 HG2 0.04 0.04 -0.07 -0.04 2.34 2.31 2o1dA1 GLU 82 HG3 0.04 -0.02 -0.07 -0.04 2.34 2.24 2o1dA1 TYR 83 H 0.18 0.42 -0.27 -0.55 8.29 8.06 2o1dA1 TYR 83 HA 0.08 0.02 0.59 -0.75 4.56 4.49 2o1dA1 TYR 83 HB2 -0.01 -0.04 -0.17 -0.04 3.06 2.80 2o1dA1 TYR 83 HB3 0.03 0.12 0.04 -0.04 2.98 3.13 2o1dA1 TYR 83 HD2 0.21 0.04 -0.13 -0.04 7.15 7.23 2o1dA1 TYR 83 HE2 0.15 0.03 -0.07 -0.04 6.85 6.92 2o1dA1 ASP 84 H -0.52 0.19 0.11 -0.55 8.40 7.62 2o1dA1 ASP 84 HA -0.26 0.16 0.57 -0.75 4.63 4.35 2o1dA1 ASP 84 HB2 -0.08 0.25 -0.14 -0.04 2.71 2.70 2o1dA1 ASP 84 HB3 -0.13 -0.07 0.07 -0.04 2.70 2.53 2o1dA1 LEU 85 H -0.23 0.26 0.10 -0.55 8.37 7.95 2o1dA1 LEU 85 HA -0.18 0.10 0.37 -0.75 4.35 3.88 2o1dA1 LEU 85 HB2 0.07 0.09 0.12 -0.04 1.64 1.88 2o1dA1 LEU 85 HB3 -0.06 -0.02 0.13 -0.04 1.64 1.65 2o1dA1 LEU 85 HG -0.26 -0.03 -0.23 -0.04 1.64 1.08 2o1dA1 LEU 85 HD13 -0.18 0.01 0.03 -0.04 0.93 0.74 2o1dA1 LEU 85 HD23 -0.10 0.03 -0.01 -0.04 0.89 0.77 2o1dA1 ASP 86 H -0.12 0.12 -0.09 -0.55 8.40 7.77 2o1dA1 ASP 86 HA -0.14 0.11 0.45 -0.75 4.63 4.30 2o1dA1 ASP 86 HB2 -0.08 0.05 0.09 -0.04 2.71 2.72 2o1dA1 ASP 86 HB3 -0.08 -0.04 0.06 -0.04 2.70 2.60 2o1dA1 LYS 87 H -0.11 0.11 -0.28 -0.55 8.42 7.58 2o1dA1 LYS 87 HA -0.10 0.10 0.52 -0.75 4.32 4.08 2o1dA1 LYS 87 HB2 -0.10 0.05 0.11 -0.04 1.87 1.90 2o1dA1 LYS 87 HB3 -0.09 0.00 0.04 -0.04 1.79 1.70 2o1dA1 LYS 87 HG2 -0.06 0.03 -0.00 -0.04 1.46 1.38 2o1dA1 LYS 87 HG3 -0.07 -0.09 -0.04 -0.04 1.46 1.22 2o1dA1 LYS 87 HD2 -0.05 0.03 -0.02 -0.04 1.69 1.61 2o1dA1 LYS 87 HD3 -0.04 0.02 -0.00 -0.04 1.68 1.61 2o1dA1 LYS 87 HE2 -0.04 0.00 -0.02 -0.04 2.99 2.89 2o1dA1 LYS 87 HE3 -0.04 -0.02 -0.02 -0.04 2.99 2.87 2o1dA1 TYR 88 H -0.03 0.60 -0.00 -0.55 8.29 8.31 2o1dA1 TYR 88 HA -0.09 -0.03 0.52 -0.75 4.56 4.21 2o1dA1 TYR 88 HB2 0.02 -0.04 0.05 -0.04 3.06 3.05 2o1dA1 TYR 88 HB3 0.06 0.10 0.13 -0.04 2.98 3.24 2o1dA1 TYR 88 HD2 0.44 0.00 -0.28 -0.04 7.15 7.28 2o1dA1 TYR 88 HE2 0.41 -0.02 -0.07 -0.04 6.85 7.13 2o1dA1 LEU 89 H 0.05 0.60 -0.09 -0.55 8.37 8.39 2o1dA1 LEU 89 HA 0.20 0.05 0.33 -0.75 4.35 4.17 2o1dA1 LEU 89 HB2 -0.15 0.09 0.17 -0.04 1.64 1.70 2o1dA1 LEU 89 HB3 -0.16 -0.05 -0.00 -0.04 1.64 1.40 2o1dA1 LEU 89 HG -0.23 0.08 0.05 -0.04 1.64 1.50 2o1dA1 LEU 89 HD13 -0.93 -0.02 -0.05 -0.04 0.93 -0.12 2o1dA1 LEU 89 HD23 -0.50 -0.01 -0.04 -0.04 0.89 0.30 2o1dA1 LYS 90 H -0.09 0.39 -0.21 -0.55 8.42 7.95 2o1dA1 LYS 90 HA -0.04 0.03 0.46 -0.75 4.32 4.01 2o1dA1 LYS 90 HB2 -0.07 0.08 0.14 -0.04 1.87 1.98 2o1dA1 LYS 90 HB3 -0.11 0.02 0.10 -0.04 1.79 1.75 2o1dA1 LYS 90 HG2 -0.06 0.02 -0.05 -0.04 1.46 1.33 2o1dA1 LYS 90 HG3 -0.04 -0.03 0.06 -0.04 1.46 1.42 2o1dA1 LYS 90 HD2 -0.05 -0.02 -0.02 -0.04 1.69 1.56 2o1dA1 LYS 90 HD3 -0.03 -0.01 -0.01 -0.04 1.68 1.59 2o1dA1 LYS 90 HE2 -0.06 0.01 -0.04 -0.04 2.99 2.86 2o1dA1 LYS 90 HE3 -0.04 -0.03 -0.02 -0.04 2.99 2.87 2o1dA1 ALA 91 H -0.35 0.47 -0.19 -0.55 8.40 7.79 2o1dA1 ALA 91 HA -0.35 0.01 0.46 -0.75 4.34 3.70 2o1dA1 ALA 91 HB3 -1.20 0.00 0.15 -0.04 1.41 0.33 2o1dA1 TYR 92 H -0.42 0.33 -0.30 -0.55 8.29 7.35 2o1dA1 TYR 92 HA -0.65 0.20 0.58 -0.75 4.56 3.93 2o1dA1 TYR 92 HB2 -0.33 0.02 0.02 -0.04 3.06 2.73 2o1dA1 TYR 92 HB3 -0.31 0.03 0.08 -0.04 2.98 2.74 2o1dA1 TYR 92 HD2 -2.28 0.12 -0.08 -0.04 7.15 4.86 2o1dA1 TYR 92 HE2 -1.14 0.00 -0.02 -0.04 6.85 5.65 2o1dA1 ASP 93 H -0.10 0.23 -0.26 -0.55 8.40 7.73 2o1dA1 ASP 93 HA -0.94 0.08 0.52 -0.75 4.63 3.53 2o1dA1 ASP 93 HB2 0.01 0.23 0.20 -0.04 2.71 3.11 2o1dA1 ASP 93 HB3 -0.03 -0.08 0.14 -0.04 2.70 2.70 2o1dA1 PRO 94 HA 0.11 0.33 0.47 -0.51 4.44 4.84 2o1dA1 PRO 94 HB2 -0.02 -0.06 0.05 -0.04 2.28 2.21 2o1dA1 PRO 94 HB3 0.09 0.07 0.05 -0.04 2.02 2.18 2o1dA1 PRO 94 HG2 -0.09 0.07 0.11 -0.04 2.03 2.08 2o1dA1 PRO 94 HG3 0.16 0.14 0.12 -0.04 2.03 2.41 2o1dA1 PRO 94 HD2 -0.77 -0.03 0.26 -0.04 3.68 3.09 2o1dA1 PRO 94 HD3 -1.68 0.25 0.30 -0.04 3.65 2.48 2o1dA1 SER 95 H -0.05 0.07 -0.32 -0.55 8.46 7.61 2o1dA1 SER 95 HA 0.01 0.08 0.38 -0.75 4.49 4.21 2o1dA1 SER 95 HB2 0.01 0.01 0.07 -0.04 3.95 4.00 2o1dA1 SER 95 HB3 -0.00 -0.05 0.06 -0.04 3.93 3.90 2o1dA1 THR 96 H 0.04 0.34 -0.20 -0.55 8.28 7.92 2o1dA1 THR 96 HA 0.03 0.19 0.98 -0.75 4.39 4.83 2o1dA1 THR 96 HB 0.06 -0.02 0.04 -0.04 4.32 4.36 2o1dA1 THR 96 HG23 0.02 -0.04 -0.11 -0.04 1.22 1.06 2o1dA1 TRP 97 H 0.22 0.63 0.10 -0.55 7.97 8.37 2o1dA1 TRP 97 HA 0.01 0.05 0.57 -0.75 4.62 4.51 2o1dA1 TRP 97 HB2 0.02 0.22 0.13 -0.04 3.23 3.56 2o1dA1 TRP 97 HB3 0.03 0.12 -0.27 -0.04 3.23 3.06 2o1dA1 TRP 97 HD1 0.11 0.19 -0.30 -0.04 7.22 7.18 2o1dA1 TRP 97 HE1 0.01 0.24 -0.67 -0.04 10.20 9.74 2o1dA1 TRP 97 HE3 0.03 0.09 0.07 -0.04 7.59 7.74 2o1dA1 TRP 97 HZ2 0.05 0.20 0.06 -0.04 7.44 7.71 2o1dA1 TRP 97 HZ3 0.06 -0.08 0.03 -0.04 7.13 7.10 2o1dA1 TRP 97 HH2 0.13 -0.08 -0.01 -0.04 7.19 7.19 2o1dA1 GLY 98 H 0.11 0.25 -0.08 -0.55 8.43 8.16 2o1dA1 GLY 98 HA2 0.02 0.13 0.32 -0.51 4.01 3.97 2o1dA1 GLY 98 HA3 -0.07 -0.02 0.60 -0.51 4.01 4.01 2o1dA1 LYS 99 H -0.04 0.07 0.13 -0.55 8.42 8.03 2o1dA1 LYS 99 HA 0.10 0.24 0.70 -0.75 4.32 4.60 2o1dA1 LYS 99 HB2 -0.02 -0.05 0.03 -0.04 1.87 1.79 2o1dA1 LYS 99 HB3 -0.02 -0.01 0.02 -0.04 1.79 1.74 2o1dA1 LYS 99 HG2 0.06 0.10 -0.17 -0.04 1.46 1.41 2o1dA1 LYS 99 HG3 0.02 -0.06 -0.10 -0.04 1.46 1.28 2o1dA1 LYS 99 HD2 -0.00 -0.08 -0.03 -0.04 1.69 1.54 2o1dA1 LYS 99 HD3 -0.01 0.08 -0.07 -0.04 1.68 1.64 2o1dA1 LYS 99 HE2 0.06 0.03 -0.04 -0.04 2.99 3.01 2o1dA1 LYS 99 HE3 0.03 -0.08 -0.02 -0.04 2.99 2.88 2o1dA1 LYS 100 H -0.14 0.12 -0.11 -0.55 8.42 7.73 2o1dA1 LYS 100 HA -0.04 0.01 0.56 -0.75 4.32 4.09 2o1dA1 LYS 100 HB2 -0.12 -0.02 0.06 -0.04 1.87 1.74 2o1dA1 LYS 100 HB3 -0.20 -0.06 0.08 -0.04 1.79 1.57 2o1dA1 LYS 100 HG2 -0.77 0.20 0.03 -0.04 1.46 0.87 2o1dA1 LYS 100 HG3 -0.82 0.06 -0.22 -0.04 1.46 0.43 2o1dA1 LYS 100 HD2 -0.42 -0.06 -0.02 -0.04 1.69 1.15 2o1dA1 LYS 100 HD3 -0.45 -0.05 0.02 -0.04 1.68 1.15 2o1dA1 LYS 100 HE2 -2.40 -0.02 -0.02 -0.04 2.99 0.52 2o1dA1 LYS 100 HE3 -0.74 -0.09 0.01 -0.04 2.99 2.12 2o1dA1 GLU 101 H 0.04 0.02 0.11 -0.55 8.60 8.22 2o1dA1 GLU 101 HA 0.03 0.09 0.42 -0.75 4.29 4.08 2o1dA1 GLU 101 HB2 0.00 -0.04 0.13 -0.04 2.09 2.13 2o1dA1 GLU 101 HB3 0.06 -0.07 0.07 -0.04 1.99 2.01 2o1dA1 GLU 101 HG2 -0.00 0.27 -0.15 -0.04 2.34 2.42 2o1dA1 GLU 101 HG3 -0.04 -0.02 0.05 -0.04 2.34 2.30 2o1dA1 PRO 102 HA -0.67 0.05 0.55 -0.51 4.44 3.86 2o1dA1 PRO 102 HB2 -0.48 -0.05 0.11 -0.04 2.28 1.82 2o1dA1 PRO 102 HB3 -2.00 -0.05 0.08 -0.04 2.02 0.01 2o1dA1 PRO 102 HG2 -0.21 0.26 0.17 -0.04 2.03 2.21 2o1dA1 PRO 102 HG3 -0.31 0.07 0.08 -0.04 2.03 1.83 2o1dA1 PRO 102 HD2 -0.14 0.04 0.28 -0.04 3.68 3.82 2o1dA1 PRO 102 HD3 -0.03 0.21 0.20 -0.04 3.65 3.99 2o1dA1 SER 103 H 0.06 0.30 0.25 -0.55 8.46 8.53 2o1dA1 SER 103 HA 0.05 0.10 0.53 -0.75 4.49 4.41 2o1dA1 SER 103 HB2 0.14 -0.12 0.11 -0.04 3.95 4.05 2o1dA1 SER 103 HB3 0.16 0.13 -0.15 -0.04 3.93 4.03 2o1dA1 GLY 104 H 0.12 0.15 0.13 -0.55 8.43 8.28 2o1dA1 GLY 104 HA2 0.12 0.08 0.35 -0.51 4.01 4.05 2o1dA1 GLY 104 HA3 0.17 0.19 0.71 -0.51 4.01 4.57 2o1dA1 THR 105 H 0.08 0.21 0.16 -0.55 8.28 8.19 2o1dA1 THR 105 HA 0.08 0.06 0.16 -0.75 4.39 3.93 2o1dA1 THR 105 HB 0.03 0.01 0.14 -0.04 4.32 4.46 2o1dA1 THR 105 HG23 0.05 0.02 -0.07 -0.04 1.22 1.18 2o1dA1 GLN 106 H 0.05 0.17 -0.05 -0.55 8.47 8.10 2o1dA1 GLN 106 HA 0.20 0.09 0.33 -0.75 4.36 4.23 2o1dA1 GLN 106 HB2 -0.13 0.07 0.08 -0.04 2.15 2.12 2o1dA1 GLN 106 HB3 0.30 0.01 -0.02 -0.04 2.02 2.26 2o1dA1 GLN 106 HG2 -0.05 -0.00 -0.04 -0.04 2.40 2.26 2o1dA1 GLN 106 HG3 -0.10 0.07 -0.54 -0.04 2.39 1.78 2o1dA1 GLN 106 HE21 -0.01 0.35 0.12 -0.04 6.97 7.38 2o1dA1 GLN 106 HE22 -0.01 -0.03 -0.02 -0.04 7.69 7.59 2o1dA1 GLU 107 H 0.31 0.18 -0.31 -0.55 8.60 8.23 2o1dA1 GLU 107 HA 0.46 0.08 0.45 -0.75 4.29 4.53 2o1dA1 GLU 107 HB2 -0.30 0.02 -0.12 -0.04 2.09 1.64 2o1dA1 GLU 107 HB3 0.02 -0.01 -0.25 -0.04 1.99 1.71 2o1dA1 GLU 107 HG2 -0.08 0.32 -0.21 -0.04 2.34 2.33 2o1dA1 GLU 107 HG3 0.04 -0.05 -0.32 -0.04 2.34 1.97 2o1dA1 GLU 108 H 0.13 0.55 -0.17 -0.55 8.60 8.57 2o1dA1 GLU 108 HA 0.06 0.06 0.51 -0.75 4.29 4.16 2o1dA1 GLU 108 HB2 0.08 0.08 0.01 -0.04 2.09 2.21 2o1dA1 GLU 108 HB3 0.05 -0.02 -0.04 -0.04 1.99 1.95 2o1dA1 GLU 108 HG2 0.05 0.01 0.01 -0.04 2.34 2.37 2o1dA1 GLU 108 HG3 0.07 -0.01 0.01 -0.04 2.34 2.37 2o1dA1 ALA 109 H 0.15 0.57 -0.18 -0.55 8.40 8.39 2o1dA1 ALA 109 HA 0.05 0.02 0.49 -0.75 4.34 4.15 2o1dA1 ALA 109 HB3 0.18 -0.00 -0.09 -0.04 1.41 1.45 2o1dA1 ARG 110 H 0.25 0.66 -0.08 -0.55 8.46 8.74 2o1dA1 ARG 110 HA -0.56 -0.03 0.46 -0.75 4.34 3.46 2o1dA1 ARG 110 HB2 0.33 0.02 0.11 -0.04 1.90 2.32 2o1dA1 ARG 110 HB3 0.18 0.10 0.12 -0.04 1.80 2.16 2o1dA1 ARG 110 HG2 -0.14 -0.06 -0.05 -0.04 1.67 1.38 2o1dA1 ARG 110 HG3 -0.22 -0.06 -0.04 -0.04 1.67 1.31 2o1dA1 ARG 110 HD2 0.03 0.30 -0.43 -0.04 3.22 3.08 2o1dA1 ARG 110 HD3 -0.26 -0.07 -0.04 -0.04 3.22 2.81 2o1dA1 ALA 111 H 0.03 0.55 -0.20 -0.55 8.40 8.24 2o1dA1 ALA 111 HA -0.04 0.04 0.43 -0.75 4.34 4.01 2o1dA1 ALA 111 HB3 0.01 0.02 0.09 -0.04 1.41 1.50 2o1dA1 ARG 112 H -0.05 0.45 -0.19 -0.55 8.46 8.12 2o1dA1 ARG 112 HA -0.04 0.04 0.54 -0.75 4.34 4.13 2o1dA1 ARG 112 HB2 -0.04 0.06 0.21 -0.04 1.90 2.10 2o1dA1 ARG 112 HB3 -0.03 -0.02 0.04 -0.04 1.80 1.75 2o1dA1 ARG 112 HG2 -0.01 -0.02 0.04 -0.04 1.67 1.64 2o1dA1 ARG 112 HG3 0.00 0.14 0.07 -0.04 1.67 1.84 2o1dA1 ARG 112 HD2 0.01 0.00 0.02 -0.04 3.22 3.20 2o1dA1 ARG 112 HD3 0.01 -0.02 -0.01 -0.04 3.22 3.16 2o1dA1 SER 113 H -0.29 0.53 -0.09 -0.55 8.46 8.06 2o1dA1 SER 113 HA -0.33 0.19 0.45 -0.75 4.49 4.06 2o1dA1 SER 113 HB2 -1.33 0.19 0.18 -0.04 3.95 2.96 2o1dA1 SER 113 HB3 -2.51 -0.04 -0.08 -0.04 3.93 1.26 2o1dA1 GLN 114 H -0.32 0.60 -0.15 -0.55 8.47 8.05 2o1dA1 GLN 114 HA 0.19 -0.07 0.44 -0.75 4.36 4.16 2o1dA1 GLN 114 HB2 0.00 0.10 0.12 -0.04 2.15 2.32 2o1dA1 GLN 114 HB3 -0.05 0.15 0.17 -0.04 2.02 2.26 2o1dA1 GLN 114 HG2 0.05 -0.08 -0.11 -0.04 2.40 2.23 2o1dA1 GLN 114 HG3 -0.02 -0.04 -0.01 -0.04 2.39 2.28 2o1dA1 GLN 114 HE21 -0.01 -0.01 -0.07 -0.04 6.97 6.83 2o1dA1 GLN 114 HE22 0.02 -0.03 -0.21 -0.04 7.69 7.42 2o1dA1 LYS 115 H -0.04 0.48 -0.15 -0.55 8.42 8.15 2o1dA1 LYS 115 HA 0.04 -0.01 0.53 -0.75 4.32 4.13 2o1dA1 LYS 115 HB2 -0.01 0.14 0.16 -0.04 1.87 2.12 2o1dA1 LYS 115 HB3 0.01 -0.04 0.02 -0.04 1.79 1.74 2o1dA1 LYS 115 HG2 0.02 -0.05 0.03 -0.04 1.46 1.42 2o1dA1 LYS 115 HG3 -0.00 0.13 0.08 -0.04 1.46 1.62 2o1dA1 LYS 115 HD2 -0.00 -0.00 -0.03 -0.04 1.69 1.61 2o1dA1 LYS 115 HD3 0.01 -0.01 -0.00 -0.04 1.68 1.63 2o1dA1 LYS 115 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.94 2o1dA1 LYS 115 HE3 0.01 -0.01 -0.03 -0.04 2.99 2.92 2o1dA1 ASN 116 H -0.03 0.45 -0.21 -0.55 8.53 8.19 2o1dA1 ASN 116 HA 0.05 0.01 0.56 -0.75 4.76 4.62 2o1dA1 ASN 116 HB2 0.06 0.24 0.24 -0.04 2.88 3.38 2o1dA1 ASN 116 HB3 0.18 -0.06 0.07 -0.04 2.79 2.95 2o1dA1 ASN 116 HD21 0.00 -0.19 -0.07 -0.04 7.03 6.73 2o1dA1 ASN 116 HD22 0.01 0.58 0.07 -0.04 7.74 8.35 2o1dA1 GLN 117 H -0.06 0.39 -0.12 -0.55 8.47 8.14 2o1dA1 GLN 117 HA -0.98 0.08 0.57 -0.75 4.36 3.29 2o1dA1 GLN 117 HB2 -0.67 -0.04 0.08 -0.04 2.15 1.48 2o1dA1 GLN 117 HB3 0.02 0.08 0.16 -0.04 2.02 2.24 2o1dA1 GLN 117 HG2 -0.35 0.02 -0.22 -0.04 2.40 1.81 2o1dA1 GLN 117 HG3 -0.59 -0.01 0.06 -0.04 2.39 1.81 2o1dA1 GLN 117 HE21 0.17 0.09 0.11 -0.04 6.97 7.29 2o1dA1 GLN 117 HE22 0.09 -0.01 0.06 -0.04 7.69 7.78 2o1dA1 LYS 118 H 0.05 0.53 -0.06 -0.55 8.42 8.38 2o1dA1 LYS 118 HA -0.10 -0.04 0.35 -0.75 4.32 3.78 2o1dA1 LYS 118 HB2 0.25 0.03 0.10 -0.04 1.87 2.21 2o1dA1 LYS 118 HB3 0.08 0.12 0.15 -0.04 1.79 2.10 2o1dA1 LYS 118 HG2 0.08 0.04 -0.14 -0.04 1.46 1.40 2o1dA1 LYS 118 HG3 0.24 -0.05 -0.02 -0.04 1.46 1.59 2o1dA1 LYS 118 HD2 0.09 -0.03 -0.05 -0.04 1.69 1.65 2o1dA1 LYS 118 HD3 0.06 0.04 -0.05 -0.04 1.68 1.69 2o1dA1 LYS 118 HE2 0.06 0.03 -0.09 -0.04 2.99 2.95 2o1dA1 LYS 118 HE3 0.09 -0.02 -0.08 -0.04 2.99 2.94 2o1dA1 ALA 119 H 0.00 0.35 -0.45 -0.55 8.40 7.76 2o1dA1 ALA 119 HA 0.02 0.01 0.33 -0.75 4.34 3.94 2o1dA1 ALA 119 HB3 0.04 0.04 0.09 -0.04 1.41 1.53 2o1dA1 ARG 120 H -0.01 0.27 -0.33 -0.55 8.46 7.83 2o1dA1 ARG 120 HA 0.04 0.09 0.79 -0.75 4.34 4.51 2o1dA1 ARG 120 HB2 0.10 0.01 0.16 -0.04 1.90 2.12 2o1dA1 ARG 120 HB3 0.12 0.09 0.14 -0.04 1.80 2.11 2o1dA1 ARG 120 HG2 0.23 0.12 0.06 -0.04 1.67 2.04 2o1dA1 ARG 120 HG3 0.34 -0.10 -0.03 -0.04 1.67 1.83 2o1dA1 ARG 120 HD2 0.08 0.04 -0.19 -0.04 3.22 3.10 2o1dA1 ARG 120 HD3 0.12 -0.09 -0.04 -0.04 3.22 3.16 2o1dA1 VAL 121 H -0.13 0.42 0.09 -0.55 8.24 8.07 2o1dA1 VAL 121 HA -0.02 0.08 0.27 -0.75 4.13 3.70 2o1dA1 VAL 121 HB -0.19 0.12 0.08 -0.04 2.12 2.08 2o1dA1 VAL 121 HG13 -0.09 -0.03 -0.09 -0.04 0.97 0.73 2o1dA1 VAL 121 HG23 -0.81 0.02 -0.12 -0.04 0.95 -0.01 2o1dA1 MET 122 H -0.07 0.52 0.00 -0.55 8.47 8.37 2o1dA1 MET 122 HA 0.05 0.23 0.86 -0.75 4.52 4.91 2o1dA1 MET 122 HB2 0.04 -0.12 0.05 -0.04 2.15 2.07 2o1dA1 MET 122 HB3 0.04 0.05 0.04 -0.04 2.03 2.12 2o1dA1 MET 122 HG2 0.07 -0.02 -0.20 -0.04 2.63 2.44 2o1dA1 MET 122 HG3 0.11 0.08 -0.03 -0.04 2.56 2.68 2o1dA1 MET 122 HE3 0.28 -0.01 -0.10 -0.04 2.10 2.23 2o1dA1 VAL 123 H 0.10 0.57 0.33 -0.55 8.24 8.69 2o1dA1 VAL 123 HA 0.00 0.10 0.79 -0.75 4.13 4.27 2o1dA1 VAL 123 HB 0.10 0.01 -0.14 -0.04 2.12 2.05 2o1dA1 VAL 123 HG13 -0.17 -0.01 -0.17 -0.04 0.97 0.58 2o1dA1 VAL 123 HG23 0.00 0.04 -0.11 -0.04 0.95 0.84 2o1dA1 ASP 124 H -0.02 0.17 0.14 -0.55 8.40 8.14 2o1dA1 ASP 124 HA -0.01 0.17 0.94 -0.75 4.63 4.97 2o1dA1 ASP 124 HB2 -0.02 0.00 0.10 -0.04 2.71 2.76 2o1dA1 ASP 124 HB3 -0.02 0.02 -0.10 -0.04 2.70 2.56 2o1dA1 ILE 125 H -0.04 0.63 0.35 -0.55 8.25 8.64 2o1dA1 ILE 125 HA -0.12 0.25 0.82 -0.75 4.18 4.37 2o1dA1 ILE 125 HB -0.03 -0.13 0.06 -0.04 1.89 1.75 2o1dA1 ILE 125 HG12 -0.09 0.02 -0.12 -0.04 1.49 1.25 2o1dA1 ILE 125 HG13 -0.12 -0.07 -0.14 -0.04 1.21 0.85 2o1dA1 ILE 125 HG23 -0.08 0.06 -0.13 -0.04 0.93 0.74 2o1dA1 ILE 125 HD13 -0.67 0.01 -0.28 -0.04 0.88 -0.10 2o1dA1 PRO 126 HA -0.01 -0.11 0.38 -0.51 4.44 4.20 2o1dA1 PRO 126 HB2 -0.01 0.32 0.02 -0.04 2.28 2.57 2o1dA1 PRO 126 HB3 -0.02 -0.07 -0.01 -0.04 2.02 1.88 2o1dA1 PRO 126 HG2 -0.03 0.07 0.01 -0.04 2.03 2.04 2o1dA1 PRO 126 HG3 -0.05 0.41 0.12 -0.04 2.03 2.47 2o1dA1 PRO 126 HD2 -0.08 -0.02 0.16 -0.04 3.68 3.69 2o1dA1 PRO 126 HD3 -0.08 0.26 0.15 -0.04 3.65 3.94 2o1dA1 ALA 127 H 0.01 0.03 0.13 -0.55 8.40 8.01 2o1dA1 ALA 127 HA 0.03 0.10 0.42 -0.75 4.34 4.14 2o1dA1 ALA 127 HB3 0.02 -0.05 0.18 -0.04 1.41 1.53 2o1dA1 ASN 128 H 0.04 0.36 0.41 -0.55 8.53 8.79 2o1dA1 ASN 128 HA 0.03 0.03 0.45 -0.75 4.76 4.51 2o1dA1 ASN 128 HB2 0.02 0.33 -0.23 -0.04 2.88 2.96 2o1dA1 ASN 128 HB3 0.02 -0.10 0.12 -0.04 2.79 2.79 2o1dA1 ASN 128 HD21 0.02 -0.18 -0.01 -0.04 7.03 6.82 2o1dA1 ASN 128 HD22 0.02 0.61 -0.06 -0.04 7.74 8.27 2o1dA1 THR 129 H 0.04 0.35 0.28 -0.55 8.28 8.40 2o1dA1 THR 129 HA 0.01 0.30 1.04 -0.75 4.39 4.98 2o1dA1 THR 129 HB 0.00 -0.12 -0.01 -0.04 4.32 4.16 2o1dA1 THR 129 HG23 -0.04 -0.04 -0.22 -0.04 1.22 0.88 2o1dA1 THR 130 H -0.02 0.79 0.49 -0.55 8.28 8.99 2o1dA1 THR 130 HA 0.01 0.17 1.11 -0.75 4.39 4.93 2o1dA1 THR 130 HB -0.10 0.06 0.30 -0.04 4.32 4.53 2o1dA1 THR 130 HG23 -0.07 0.02 -0.11 -0.04 1.22 1.01 2o1dA1 ILE 131 H 0.01 0.80 0.34 -0.55 8.25 8.84 2o1dA1 ILE 131 HA -0.06 0.28 1.03 -0.75 4.18 4.68 2o1dA1 ILE 131 HB 0.14 -0.07 0.17 -0.04 1.89 2.08 2o1dA1 ILE 131 HG12 -0.05 0.06 -0.10 -0.04 1.49 1.35 2o1dA1 ILE 131 HG13 -0.02 -0.02 -0.29 -0.04 1.21 0.85 2o1dA1 ILE 131 HG23 0.11 -0.02 -0.12 -0.04 0.93 0.86 2o1dA1 ILE 131 HD13 -0.18 -0.01 -0.10 -0.04 0.88 0.55 2o1dA1 VAL 132 H -0.13 0.72 0.35 -0.55 8.24 8.63 2o1dA1 VAL 132 HA -0.05 0.30 1.06 -0.75 4.13 4.68 2o1dA1 VAL 132 HB -0.04 0.04 -0.06 -0.04 2.12 2.01 2o1dA1 VAL 132 HG13 -0.09 -0.00 -0.38 -0.04 0.97 0.45 2o1dA1 VAL 132 HG23 -0.27 -0.05 -0.21 -0.04 0.95 0.39 2o1dA1 GLY 133 H -0.04 0.49 0.21 -0.55 8.43 8.55 2o1dA1 GLY 133 HA2 -0.01 0.04 0.87 -0.51 4.01 4.40 2o1dA1 GLY 133 HA3 -0.05 0.31 0.44 -0.51 4.01 4.21 2o1dA1 SER 134 H 0.06 0.68 0.38 -0.55 8.46 9.03 2o1dA1 SER 134 HA 0.08 0.02 0.85 -0.75 4.49 4.69 2o1dA1 SER 134 HB2 0.04 0.06 0.14 -0.04 3.95 4.16 2o1dA1 SER 134 HB3 0.01 -0.05 0.04 -0.04 3.93 3.88 2o1dA1 GLY 135 H 0.01 0.03 0.21 -0.55 8.43 8.12 2o1dA1 GLY 135 HA2 -0.02 0.02 0.38 -0.51 4.01 3.89 2o1dA1 GLY 135 HA3 -0.01 0.03 0.48 -0.51 4.01 4.00 2o1dA1 THR 136 H -0.02 0.10 0.22 -0.55 8.28 8.03 2o1dA1 THR 136 HA -0.03 0.25 0.84 -0.75 4.39 4.69 2o1dA1 THR 136 HB -0.02 0.12 0.20 -0.04 4.32 4.58 2o1dA1 THR 136 HG23 -0.02 0.01 -0.08 -0.04 1.22 1.08 2o1dA1 ASN 137 H -0.03 0.08 -0.02 -0.55 8.53 8.01 2o1dA1 ASN 137 HA -0.04 0.29 0.92 -0.75 4.76 5.18 2o1dA1 ASN 137 HB2 -0.03 0.01 0.14 -0.04 2.88 2.96 2o1dA1 ASN 137 HB3 -0.02 0.02 -0.09 -0.04 2.79 2.65 2o1dA1 ASN 137 HD21 -0.02 -0.01 0.02 -0.04 7.03 6.99 2o1dA1 ASN 137 HD22 -0.02 0.03 0.03 -0.04 7.74 7.73 2o1dA1 ALA 138 H -0.06 0.18 -0.11 -0.55 8.40 7.87 2o1dA1 ALA 138 HA -0.07 0.17 0.62 -0.75 4.34 4.32 2o1dA1 ALA 138 HB3 -0.07 0.08 0.19 -0.04 1.41 1.57 2o1dA1 LYS 139 H -0.11 0.69 0.29 -0.55 8.42 8.74 2o1dA1 LYS 139 HA -0.26 0.21 1.02 -0.75 4.32 4.54 2o1dA1 LYS 139 HB2 -0.09 -0.11 -0.00 -0.04 1.87 1.62 2o1dA1 LYS 139 HB3 -0.13 -0.01 -0.10 -0.04 1.79 1.51 2o1dA1 LYS 139 HG2 -0.12 0.03 -0.13 -0.04 1.46 1.20 2o1dA1 LYS 139 HG3 -0.09 0.13 -0.52 -0.04 1.46 0.95 2o1dA1 LYS 139 HD2 -0.06 -0.06 -0.09 -0.04 1.69 1.44 2o1dA1 LYS 139 HD3 -0.07 -0.05 -0.11 -0.04 1.68 1.42 2o1dA1 LYS 139 HE2 -0.03 -0.05 -0.06 -0.04 2.99 2.81 2o1dA1 LYS 139 HE3 -0.05 -0.00 -0.09 -0.04 2.99 2.81 2o1dA1 VAL 140 H -0.43 0.58 0.23 -0.55 8.24 8.07 2o1dA1 VAL 140 HA -0.15 0.25 0.95 -0.75 4.13 4.43 2o1dA1 VAL 140 HB -0.88 -0.04 0.11 -0.04 2.12 1.27 2o1dA1 VAL 140 HG13 -0.15 -0.00 -0.11 -0.04 0.97 0.67 2o1dA1 VAL 140 HG23 -0.34 0.00 -0.15 -0.04 0.95 0.42 2o1dA1 VAL 141 H -0.05 0.80 0.29 -0.55 8.24 8.73 2o1dA1 VAL 141 HA -0.02 0.24 1.03 -0.75 4.13 4.63 2o1dA1 VAL 141 HB -0.02 -0.07 0.08 -0.04 2.12 2.07 2o1dA1 VAL 141 HG13 -0.01 -0.00 -0.08 -0.04 0.97 0.84 2o1dA1 VAL 141 HG23 -0.05 -0.00 -0.22 -0.04 0.95 0.64 2o1dA1 GLY 142 H 0.04 0.68 0.22 -0.55 8.43 8.82 2o1dA1 GLY 142 HA2 0.08 0.31 0.57 -0.51 4.01 4.46 2o1dA1 GLY 142 HA3 0.04 -0.06 0.60 -0.51 4.01 4.08 2o1dA1 GLY 143 H 0.04 -0.02 -0.61 -0.55 8.43 7.29 2o1dA1 GLY 143 HA2 0.05 0.23 0.46 -0.51 4.01 4.24 2o1dA1 GLY 143 HA3 0.08 -0.03 0.17 -0.51 4.01 3.72 2o1dA1 ASN 144 H 0.10 0.67 0.17 -0.55 8.53 8.93 2o1dA1 ASN 144 HA 0.10 0.38 0.74 -0.75 4.76 5.23 2o1dA1 ASN 144 HB2 0.11 -0.03 -0.12 -0.04 2.88 2.79 2o1dA1 ASN 144 HB3 0.09 -0.09 0.05 -0.04 2.79 2.80 2o1dA1 ASN 144 HD21 0.10 -0.19 -0.28 -0.04 7.03 6.62 2o1dA1 ASN 144 HD22 0.13 0.25 -0.59 -0.04 7.74 7.50 2o1dA1 PHE 145 H 0.18 0.58 0.14 -0.55 8.34 8.69 2o1dA1 PHE 145 HA 0.06 0.20 0.77 -0.75 4.62 4.90 2o1dA1 PHE 145 HB2 0.01 0.01 0.20 -0.04 3.15 3.33 2o1dA1 PHE 145 HB3 0.05 -0.01 -0.06 -0.04 3.06 2.99 2o1dA1 PHE 145 HD2 0.15 -0.02 -0.16 -0.04 7.28 7.21 2o1dA1 PHE 145 HE2 0.13 -0.01 -0.11 -0.04 7.38 7.34 2o1dA1 PHE 145 HZ 0.04 -0.03 -0.12 -0.04 7.32 7.16 2o1dA1 GLN 146 H 0.09 0.87 0.40 -0.55 8.47 9.29 2o1dA1 GLN 146 HA 0.08 0.23 1.06 -0.75 4.36 4.98 2o1dA1 GLN 146 HB2 0.07 -0.01 -0.06 -0.04 2.15 2.11 2o1dA1 GLN 146 HB3 0.05 0.01 0.03 -0.04 2.02 2.06 2o1dA1 GLN 146 HG2 0.03 -0.08 -0.31 -0.04 2.40 2.00 2o1dA1 GLN 146 HG3 0.04 0.03 -0.05 -0.04 2.39 2.37 2o1dA1 GLN 146 HE21 0.03 -0.01 -0.10 -0.04 6.97 6.86 2o1dA1 GLN 146 HE22 0.03 -0.00 -0.11 -0.04 7.69 7.56 2o1dA1 ILE 147 H 0.05 0.74 0.31 -0.55 8.25 8.80 2o1dA1 ILE 147 HA 0.02 0.24 1.15 -0.75 4.18 4.83 2o1dA1 ILE 147 HB 0.04 -0.10 0.11 -0.04 1.89 1.90 2o1dA1 ILE 147 HG12 0.05 0.11 -0.19 -0.04 1.49 1.43 2o1dA1 ILE 147 HG13 0.08 -0.07 -0.38 -0.04 1.21 0.80 2o1dA1 ILE 147 HG23 0.04 0.06 -0.15 -0.04 0.93 0.84 2o1dA1 ILE 147 HD13 0.10 -0.00 -0.18 -0.04 0.88 0.75 2o1dA1 LYS 148 H 0.01 0.25 0.09 -0.55 8.42 8.22 2o1dA1 LYS 148 HA 0.00 0.28 0.68 -0.75 4.32 4.52 2o1dA1 LYS 148 HB2 0.01 -0.01 -0.00 -0.04 1.87 1.82 2o1dA1 LYS 148 HB3 0.00 0.02 0.08 -0.04 1.79 1.85 2o1dA1 LYS 148 HG2 0.00 0.15 0.03 -0.04 1.46 1.61 2o1dA1 LYS 148 HG3 0.01 -0.14 -0.19 -0.04 1.46 1.10 2o1dA1 LYS 148 HD2 0.01 -0.01 -0.07 -0.04 1.69 1.58 2o1dA1 LYS 148 HD3 0.00 0.01 -0.04 -0.04 1.68 1.61 2o1dA1 LYS 148 HE2 0.00 0.03 -0.03 -0.04 2.99 2.95 2o1dA1 LYS 148 HE3 0.01 -0.04 -0.06 -0.04 2.99 2.86 2o1dA1 SER 149 H 0.02 0.04 -0.03 -0.55 8.46 7.94 2o1dA1 SER 149 HA 0.02 0.15 0.55 -0.75 4.49 4.46 2o1dA1 SER 149 HB2 0.02 -0.06 0.13 -0.04 3.95 4.01 2o1dA1 SER 149 HB3 0.01 -0.04 0.03 -0.04 3.93 3.90 2o1dA1 ASP 150 H 0.05 0.12 0.21 -0.55 8.40 8.23 2o1dA1 ASP 150 HA 0.11 0.34 1.05 -0.75 4.63 5.37 2o1dA1 ASP 150 HB2 0.10 -0.02 0.08 -0.04 2.71 2.83 2o1dA1 ASP 150 HB3 0.08 -0.03 0.15 -0.04 2.70 2.85 2o1dA1 ASN 151 H 0.17 0.67 0.48 -0.55 8.53 9.29 2o1dA1 ASN 151 HA 0.14 0.19 0.65 -0.75 4.76 4.99 2o1dA1 ASN 151 HB2 0.05 0.00 -0.09 -0.04 2.88 2.80 2o1dA1 ASN 151 HB3 0.05 0.03 0.33 -0.04 2.79 3.16 2o1dA1 ASN 151 HD21 0.02 -0.02 0.04 -0.04 7.03 7.03 2o1dA1 ASN 151 HD22 0.02 0.07 0.12 -0.04 7.74 7.91 2o1dA1 VAL 152 H 0.14 0.54 0.42 -0.55 8.24 8.79 2o1dA1 VAL 152 HA 0.08 0.31 1.13 -0.75 4.13 4.90 2o1dA1 VAL 152 HB 0.09 -0.10 -0.02 -0.04 2.12 2.05 2o1dA1 VAL 152 HG13 0.07 -0.00 -0.20 -0.04 0.97 0.80 2o1dA1 VAL 152 HG23 0.05 0.02 -0.42 -0.04 0.95 0.56 2o1dA1 ILE 153 H 0.09 0.74 0.51 -0.55 8.25 9.04 2o1dA1 ILE 153 HA 0.21 0.16 1.12 -0.75 4.18 4.91 2o1dA1 ILE 153 HB 0.11 -0.02 0.18 -0.04 1.89 2.12 2o1dA1 ILE 153 HG12 0.50 -0.04 -0.10 -0.04 1.49 1.81 2o1dA1 ILE 153 HG13 0.22 -0.15 -0.41 -0.04 1.21 0.83 2o1dA1 ILE 153 HG23 0.06 0.02 -0.18 -0.04 0.93 0.79 2o1dA1 ILE 153 HD13 0.29 0.04 -0.33 -0.04 0.88 0.84 2o1dA1 ILE 154 H 0.05 0.76 0.40 -0.55 8.25 8.91 2o1dA1 ILE 154 HA 0.08 0.38 1.01 -0.75 4.18 4.89 2o1dA1 ILE 154 HB 0.13 -0.09 0.17 -0.04 1.89 2.06 2o1dA1 ILE 154 HG12 0.23 0.08 -0.08 -0.04 1.49 1.68 2o1dA1 ILE 154 HG13 0.14 -0.06 -0.48 -0.04 1.21 0.77 2o1dA1 ILE 154 HG23 0.32 -0.01 -0.11 -0.04 0.93 1.09 2o1dA1 ILE 154 HD13 0.27 -0.01 -0.13 -0.04 0.88 0.96 2o1dA1 ARG 155 H -0.02 0.63 0.36 -0.55 8.46 8.88 2o1dA1 ARG 155 HA -0.12 0.32 1.01 -0.75 4.34 4.79 2o1dA1 ARG 155 HB2 -0.15 -0.02 -0.03 -0.04 1.90 1.66 2o1dA1 ARG 155 HB3 -0.19 0.00 0.02 -0.04 1.80 1.59 2o1dA1 ARG 155 HG2 -0.64 -0.03 -0.06 -0.04 1.67 0.91 2o1dA1 ARG 155 HG3 -0.33 -0.09 -0.56 -0.04 1.67 0.65 2o1dA1 ARG 155 HD2 -0.78 0.00 -0.18 -0.04 3.22 2.22 2o1dA1 ARG 155 HD3 -0.25 0.07 -0.12 -0.04 3.22 2.88 2o1dA1 ASN 156 H -0.05 0.45 0.08 -0.55 8.53 8.45 2o1dA1 ASN 156 HA -0.05 0.28 0.57 -0.75 4.76 4.81 2o1dA1 ASN 156 HB2 -0.07 -0.03 -0.06 -0.04 2.88 2.67 2o1dA1 ASN 156 HB3 -0.05 -0.00 0.09 -0.04 2.79 2.79 2o1dA1 ASN 156 HD21 -0.03 0.24 0.17 -0.04 7.03 7.37 2o1dA1 ASN 156 HD22 -0.02 0.37 0.16 -0.04 7.74 8.21 2o1dA1 ILE 157 H -0.11 0.12 -0.02 -0.55 8.25 7.69 2o1dA1 ILE 157 HA -0.21 0.27 0.91 -0.75 4.18 4.40 2o1dA1 ILE 157 HB -0.27 -0.06 -0.11 -0.04 1.89 1.41 2o1dA1 ILE 157 HG12 -0.18 -0.01 -0.24 -0.04 1.49 1.02 2o1dA1 ILE 157 HG13 -0.11 0.05 -0.48 -0.04 1.21 0.64 2o1dA1 ILE 157 HG23 -0.96 -0.01 -0.39 -0.04 0.93 -0.48 2o1dA1 ILE 157 HD13 0.00 -0.02 -0.31 -0.04 0.88 0.52 2o1dA1 GLU 158 H -0.26 0.78 0.29 -0.55 8.60 8.87 2o1dA1 GLU 158 HA -0.27 0.08 1.12 -0.75 4.29 4.47 2o1dA1 GLU 158 HB2 -0.13 0.01 0.06 -0.04 2.09 2.00 2o1dA1 GLU 158 HB3 -0.16 0.04 0.15 -0.04 1.99 1.98 2o1dA1 GLU 158 HG2 -0.14 -0.04 -0.41 -0.04 2.34 1.71 2o1dA1 GLU 158 HG3 -0.14 -0.02 -0.10 -0.04 2.34 2.04 2o1dA1 PHE 159 H -0.25 0.81 0.37 -0.55 8.34 8.71 2o1dA1 PHE 159 HA -0.22 0.20 0.95 -0.75 4.62 4.79 2o1dA1 PHE 159 HB2 -0.39 -0.01 0.29 -0.04 3.15 3.01 2o1dA1 PHE 159 HB3 -0.11 0.02 0.07 -0.04 3.06 3.00 2o1dA1 PHE 159 HD2 -0.62 0.10 -0.01 -0.04 7.28 6.71 2o1dA1 PHE 159 HE2 -0.94 -0.01 -0.11 -0.04 7.38 6.28 2o1dA1 PHE 159 HZ -0.28 0.02 -0.12 -0.04 7.32 6.90 2o1dA1 GLN 160 H -0.04 0.72 0.40 -0.55 8.47 9.00 2o1dA1 GLN 160 HA -0.04 0.20 1.00 -0.75 4.36 4.77 2o1dA1 GLN 160 HB2 -0.04 -0.02 0.08 -0.04 2.15 2.13 2o1dA1 GLN 160 HB3 -0.02 -0.11 -0.06 -0.04 2.02 1.79 2o1dA1 GLN 160 HG2 -0.08 -0.01 -0.22 -0.04 2.40 2.06 2o1dA1 GLN 160 HG3 -0.10 0.11 -0.31 -0.04 2.39 2.05 2o1dA1 GLN 160 HE21 -0.03 0.02 -0.08 -0.04 6.97 6.84 2o1dA1 GLN 160 HE22 -0.04 0.03 -0.11 -0.04 7.69 7.53 2o1dA1 ASP 161 H -0.01 0.62 0.29 -0.55 8.40 8.76 2o1dA1 ASP 161 HA 0.14 0.08 0.27 -0.75 4.63 4.37 2o1dA1 ASP 161 HB2 0.07 -0.11 -0.47 -0.04 2.71 2.16 2o1dA1 ASP 161 HB3 0.07 -0.00 -0.23 -0.04 2.70 2.49 2o1dA1 ALA 162 H 0.16 0.11 -0.10 -0.55 8.40 8.03 2o1dA1 ALA 162 HA 0.15 0.10 0.46 -0.75 4.34 4.30 2o1dA1 ALA 162 HB3 0.17 0.03 -0.30 -0.04 1.41 1.27 2o1dA1 TYR 163 H 0.20 0.27 0.19 -0.55 8.29 8.40 2o1dA1 TYR 163 HA -0.09 0.19 0.39 -0.75 4.56 4.30 2o1dA1 TYR 163 HB2 -0.04 0.01 -0.11 -0.04 3.06 2.88 2o1dA1 TYR 163 HB3 -0.18 -0.02 0.10 -0.04 2.98 2.85 2o1dA1 TYR 163 HD2 -0.63 -0.04 -0.26 -0.04 7.15 6.18 2o1dA1 TYR 163 HE2 -0.79 -0.01 -0.09 -0.04 6.85 5.91 2o1dA1 ASP 164 H -0.42 0.68 0.32 -0.55 8.40 8.43 2o1dA1 ASP 164 HA 0.24 0.10 0.80 -0.75 4.63 5.01 2o1dA1 ASP 164 HB2 -0.16 -0.07 0.05 -0.04 2.71 2.49 2o1dA1 ASP 164 HB3 -0.24 0.11 0.16 -0.04 2.70 2.69 2o1dA1 TYR 165 H 0.08 0.21 0.11 -0.55 8.29 8.13 2o1dA1 TYR 165 HA -0.08 0.12 0.51 -0.75 4.56 4.35 2o1dA1 TYR 165 HB2 -0.52 0.04 0.05 -0.04 3.06 2.58 2o1dA1 TYR 165 HB3 -0.87 -0.04 0.07 -0.04 2.98 2.10 2o1dA1 TYR 165 HD2 0.12 0.04 0.03 -0.04 7.15 7.29 2o1dA1 TYR 165 HE2 0.07 0.07 0.02 -0.04 6.85 6.97 2o1dA1 PHE 166 H -0.02 -0.02 -0.47 -0.55 8.34 7.27 2o1dA1 PHE 166 HA -0.03 0.23 0.84 -0.75 4.62 4.91 2o1dA1 PHE 166 HB2 -0.10 -0.03 0.06 -0.04 3.15 3.04 2o1dA1 PHE 166 HB3 -0.26 0.02 0.04 -0.04 3.06 2.82 2o1dA1 PHE 166 HD2 -0.36 0.00 -0.15 -0.04 7.28 6.74 2o1dA1 PHE 166 HE2 0.08 0.01 -0.13 -0.04 7.38 7.30 2o1dA1 PHE 166 HZ 0.12 0.12 -0.10 -0.04 7.32 7.42 2o1dA1 PRO 167 HA -0.04 0.10 0.41 -0.51 4.44 4.40 2o1dA1 PRO 167 HB2 -0.22 -0.08 -0.17 -0.04 2.28 1.77 2o1dA1 PRO 167 HB3 -0.17 0.15 -0.15 -0.04 2.02 1.80 2o1dA1 PRO 167 HG2 -1.91 -0.02 -0.31 -0.04 2.03 -0.24 2o1dA1 PRO 167 HG3 -0.74 0.11 -0.15 -0.04 2.03 1.21 2o1dA1 PRO 167 HD2 -0.38 0.07 -0.07 -0.04 3.68 3.26 2o1dA1 PRO 167 HD3 -0.34 0.17 -0.52 -0.04 3.65 2.91 2o1dA1 GLN 168 H 0.15 0.67 0.36 -0.55 8.47 9.10 2o1dA1 GLN 168 HA 0.31 0.07 0.80 -0.75 4.36 4.79 2o1dA1 GLN 168 HB2 0.08 0.01 0.07 -0.04 2.15 2.27 2o1dA1 GLN 168 HB3 0.06 0.01 0.14 -0.04 2.02 2.20 2o1dA1 GLN 168 HG2 0.05 0.19 -0.22 -0.04 2.40 2.37 2o1dA1 GLN 168 HG3 0.11 -0.05 0.03 -0.04 2.39 2.44 2o1dA1 GLN 168 HE21 -0.02 -0.04 -0.03 -0.04 6.97 6.84 2o1dA1 GLN 168 HE22 0.01 -0.00 -0.02 -0.04 7.69 7.64 2o1dA1 TRP 169 H 0.46 0.12 0.13 -0.55 7.97 8.13 2o1dA1 TRP 169 HA -0.80 0.13 0.76 -0.75 4.62 3.96 2o1dA1 TRP 169 HB2 -1.47 -0.02 -0.01 -0.04 3.23 1.69 2o1dA1 TRP 169 HB3 -0.20 -0.04 0.11 -0.04 3.23 3.06 2o1dA1 TRP 169 HD1 -0.19 -0.02 -0.06 -0.04 7.22 6.90 2o1dA1 TRP 169 HE1 -0.17 0.12 -0.01 -0.04 10.20 10.10 2o1dA1 TRP 169 HE3 -2.00 -0.05 -0.26 -0.04 7.59 5.24 2o1dA1 TRP 169 HZ2 -0.08 0.03 -0.03 -0.04 7.44 7.32 2o1dA1 TRP 169 HZ3 -0.17 -0.05 -0.32 -0.04 7.13 6.54 2o1dA1 TRP 169 HH2 0.06 0.38 0.01 -0.04 7.19 7.60 2o1dA1 ASP 170 H -0.94 0.69 0.29 -0.55 8.40 7.89 2o1dA1 ASP 170 HA -0.57 0.21 0.83 -0.75 4.63 4.34 2o1dA1 ASP 170 HB2 -0.27 0.04 -0.03 -0.04 2.71 2.41 2o1dA1 ASP 170 HB3 -0.39 0.04 0.23 -0.04 2.70 2.55 2o1dA1 PRO 171 HA -0.83 0.10 0.38 -0.51 4.44 3.59 2o1dA1 PRO 171 HB2 -0.01 -0.01 -0.00 -0.04 2.28 2.21 2o1dA1 PRO 171 HB3 0.22 0.10 0.07 -0.04 2.02 2.37 2o1dA1 PRO 171 HG2 -0.10 0.11 -0.19 -0.04 2.03 1.81 2o1dA1 PRO 171 HG3 0.12 0.29 -0.19 -0.04 2.03 2.20 2o1dA1 PRO 171 HD2 -0.38 0.03 0.14 -0.04 3.68 3.43 2o1dA1 PRO 171 HD3 -0.72 0.17 -0.07 -0.04 3.65 2.98 2o1dA1 THR 172 H -0.31 0.04 -0.33 -0.55 8.28 7.13 2o1dA1 THR 172 HA -0.12 0.34 0.86 -0.75 4.39 4.71 2o1dA1 THR 172 HB -0.08 -0.05 0.13 -0.04 4.32 4.28 2o1dA1 THR 172 HG23 -0.07 0.04 -0.09 -0.04 1.22 1.06 2o1dA1 ASP 173 H -0.33 0.27 -0.29 -0.55 8.40 7.50 2o1dA1 ASP 173 HA -0.11 0.02 0.67 -0.75 4.63 4.46 2o1dA1 ASP 173 HB2 -0.20 -0.04 0.07 -0.04 2.71 2.50 2o1dA1 ASP 173 HB3 -0.25 0.07 0.19 -0.04 2.70 2.66 2o1dA1 GLY 174 H -0.06 0.18 0.03 -0.55 8.43 8.04 2o1dA1 GLY 174 HA2 -0.01 -0.01 0.31 -0.51 4.01 3.79 2o1dA1 GLY 174 HA3 -0.01 0.15 0.56 -0.51 4.01 4.20 2o1dA1 SER 175 H 0.01 0.12 0.11 -0.55 8.46 8.15 2o1dA1 SER 175 HA -0.00 0.11 0.26 -0.75 4.49 4.10 2o1dA1 SER 175 HB2 0.02 0.03 0.08 -0.04 3.95 4.04 2o1dA1 SER 175 HB3 0.01 -0.03 0.10 -0.04 3.93 3.97 2o1dA1 SER 176 H 0.04 0.05 -0.26 -0.55 8.46 7.74 2o1dA1 SER 176 HA 0.10 0.19 0.83 -0.75 4.49 4.85 2o1dA1 SER 176 HB2 0.16 0.05 0.16 -0.04 3.95 4.28 2o1dA1 SER 176 HB3 0.09 -0.06 -0.03 -0.04 3.93 3.89 2o1dA1 GLY 177 H -0.03 0.17 -0.49 -0.55 8.43 7.53 2o1dA1 GLY 177 HA2 -0.34 -0.08 0.12 -0.51 4.01 3.20 2o1dA1 GLY 177 HA3 -0.43 0.01 0.42 -0.51 4.01 3.50 2o1dA1 ASN 178 H -0.76 0.53 0.35 -0.55 8.53 8.10 2o1dA1 ASN 178 HA 0.21 0.08 0.54 -0.75 4.76 4.84 2o1dA1 ASN 178 HB2 -0.09 -0.09 -0.05 -0.04 2.88 2.61 2o1dA1 ASN 178 HB3 0.04 0.07 -0.03 -0.04 2.79 2.84 2o1dA1 ASN 178 HD21 0.03 -0.13 -0.10 -0.04 7.03 6.79 2o1dA1 ASN 178 HD22 -0.02 -0.04 -0.28 -0.04 7.74 7.35 2o1dA1 TRP 179 H 0.50 0.20 0.17 -0.55 7.97 8.30 2o1dA1 TRP 179 HA 0.27 0.24 0.92 -0.75 4.62 5.29 2o1dA1 TRP 179 HB2 0.10 0.04 0.26 -0.04 3.23 3.59 2o1dA1 TRP 179 HB3 0.05 0.03 -0.03 -0.04 3.23 3.24 2o1dA1 TRP 179 HD1 0.31 0.07 -0.25 -0.04 7.22 7.31 2o1dA1 TRP 179 HE1 -0.12 0.30 -0.07 -0.04 10.20 10.27 2o1dA1 TRP 179 HE3 0.27 0.01 -0.69 -0.04 7.59 7.15 2o1dA1 TRP 179 HZ2 -0.87 -0.06 -0.15 -0.04 7.44 6.32 2o1dA1 TRP 179 HZ3 0.32 0.11 -0.17 -0.04 7.13 7.35 2o1dA1 TRP 179 HH2 0.25 -0.05 -0.13 -0.04 7.19 7.22 2o1dA1 ASN 180 H 0.19 0.70 0.32 -0.55 8.53 9.19 2o1dA1 ASN 180 HA 0.04 0.16 0.93 -0.75 4.76 5.13 2o1dA1 ASN 180 HB2 -0.01 -0.01 0.04 -0.04 2.88 2.86 2o1dA1 ASN 180 HB3 -0.02 0.04 -0.01 -0.04 2.79 2.75 2o1dA1 ASN 180 HD21 -0.09 -0.04 -0.16 -0.04 7.03 6.70 2o1dA1 ASN 180 HD22 -0.09 0.03 -0.14 -0.04 7.74 7.50 2o1dA1 SER 181 H -0.04 0.24 0.11 -0.55 8.46 8.21 2o1dA1 SER 181 HA -0.13 0.13 0.82 -0.75 4.49 4.56 2o1dA1 SER 181 HB2 -0.13 0.20 -0.39 -0.04 3.95 3.59 2o1dA1 SER 181 HB3 -0.19 -0.13 -0.19 -0.04 3.93 3.38 2o1dA1 GLN 182 H -0.42 0.09 0.03 -0.55 8.47 7.62 2o1dA1 GLN 182 HA -0.18 0.19 0.47 -0.75 4.36 4.09 2o1dA1 GLN 182 HB2 -0.99 -0.00 -0.00 -0.04 2.15 1.12 2o1dA1 GLN 182 HB3 -0.37 0.02 -0.07 -0.04 2.02 1.56 2o1dA1 GLN 182 HG2 -0.20 -0.03 -0.18 -0.04 2.40 1.96 2o1dA1 GLN 182 HG3 -0.18 0.02 -0.09 -0.04 2.39 2.10 2o1dA1 GLN 182 HE21 -0.06 -0.02 -0.14 -0.04 6.97 6.71 2o1dA1 GLN 182 HE22 -0.08 0.01 -0.30 -0.04 7.69 7.29 2o1dA1 TYR 183 H -0.27 0.08 -0.11 -0.55 8.29 7.44 2o1dA1 TYR 183 HA 0.03 0.11 0.44 -0.75 4.56 4.39 2o1dA1 TYR 183 HB2 0.05 0.05 -0.28 -0.04 3.06 2.84 2o1dA1 TYR 183 HB3 0.05 0.17 -0.19 -0.04 2.98 2.97 2o1dA1 TYR 183 HD2 0.01 0.07 -0.37 -0.04 7.15 6.82 2o1dA1 TYR 183 HE2 0.01 -0.05 -0.03 -0.04 6.85 6.74 2o1dA1 ASP 184 H 0.14 0.14 0.09 -0.55 8.40 8.22 2o1dA1 ASP 184 HA 0.08 0.33 0.75 -0.75 4.63 5.04 2o1dA1 ASP 184 HB2 0.04 -0.01 -0.43 -0.04 2.71 2.28 2o1dA1 ASP 184 HB3 -0.00 0.02 -0.27 -0.04 2.70 2.42 2o1dA1 ASN 185 H -0.02 0.29 0.20 -0.55 8.53 8.44 2o1dA1 ASN 185 HA 0.03 0.25 0.72 -0.75 4.76 5.01 2o1dA1 ASN 185 HB2 -0.03 0.15 0.22 -0.04 2.88 3.18 2o1dA1 ASN 185 HB3 -0.12 -0.06 0.06 -0.04 2.79 2.63 2o1dA1 ASN 185 HD21 0.07 -0.13 -0.20 -0.04 7.03 6.73 2o1dA1 ASN 185 HD22 0.13 0.13 -0.14 -0.04 7.74 7.81 2o1dA1 ILE 186 H -0.13 0.57 0.14 -0.55 8.25 8.29 2o1dA1 ILE 186 HA 0.00 0.33 0.80 -0.75 4.18 4.55 2o1dA1 ILE 186 HB -0.14 -0.06 0.11 -0.04 1.89 1.76 2o1dA1 ILE 186 HG12 -0.27 0.07 -0.08 -0.04 1.49 1.17 2o1dA1 ILE 186 HG13 -0.62 -0.08 -0.47 -0.04 1.21 -0.01 2o1dA1 ILE 186 HG23 0.04 -0.01 -0.24 -0.04 0.93 0.68 2o1dA1 ILE 186 HD13 -0.13 -0.02 -0.11 -0.04 0.88 0.59 2o1dA1 THR 187 H 0.07 0.92 0.26 -0.55 8.28 8.98 2o1dA1 THR 187 HA 0.03 0.10 0.93 -0.75 4.39 4.69 2o1dA1 THR 187 HB 0.06 0.02 0.11 -0.04 4.32 4.47 2o1dA1 THR 187 HG23 0.03 -0.02 -0.26 -0.04 1.22 0.93 2o1dA1 ILE 188 H 0.02 0.75 0.16 -0.55 8.25 8.64 2o1dA1 ILE 188 HA 0.02 0.21 0.98 -0.75 4.18 4.63 2o1dA1 ILE 188 HB -0.03 -0.08 0.29 -0.04 1.89 2.02 2o1dA1 ILE 188 HG12 0.03 0.04 -0.14 -0.04 1.49 1.38 2o1dA1 ILE 188 HG13 0.01 0.01 -0.20 -0.04 1.21 1.00 2o1dA1 ILE 188 HG23 -0.03 -0.01 -0.08 -0.04 0.93 0.77 2o1dA1 ILE 188 HD13 -0.01 -0.01 -0.19 -0.04 0.88 0.63 2o1dA1 ASN 189 H 0.01 0.48 -0.02 -0.55 8.53 8.45 2o1dA1 ASN 189 HA -0.01 0.02 0.71 -0.75 4.76 4.73 2o1dA1 ASN 189 HB2 0.01 -0.04 -0.15 -0.04 2.88 2.66 2o1dA1 ASN 189 HB3 0.01 0.03 0.03 -0.04 2.79 2.82 2o1dA1 ASN 189 HD21 0.00 -0.01 -0.08 -0.04 7.03 6.90 2o1dA1 ASN 189 HD22 0.01 0.01 -0.08 -0.04 7.74 7.64 2o1dA1 GLY 190 H -0.04 0.47 0.11 -0.55 8.43 8.42 2o1dA1 GLY 190 HA2 -0.07 0.04 0.08 -0.51 4.01 3.56 2o1dA1 GLY 190 HA3 -0.04 0.07 0.54 -0.51 4.01 4.07 2o1dA1 GLY 191 H -0.02 -0.08 -0.51 -0.55 8.43 7.26 2o1dA1 GLY 191 HA2 0.00 0.24 0.02 -0.51 4.01 3.77 2o1dA1 GLY 191 HA3 0.00 -0.01 0.04 -0.51 4.01 3.54 2o1dA1 THR 192 H 0.04 0.56 0.22 -0.55 8.28 8.55 2o1dA1 THR 192 HA -0.06 0.33 1.00 -0.75 4.39 4.90 2o1dA1 THR 192 HB -0.00 -0.04 0.07 -0.04 4.32 4.31 2o1dA1 THR 192 HG23 -0.09 0.02 -0.16 -0.04 1.22 0.95 2o1dA1 HIS 193 H -0.08 0.39 0.41 -0.55 8.41 8.59 2o1dA1 HIS 193 HA 0.18 0.21 0.57 -0.75 4.63 4.84 2o1dA1 HIS 193 HB2 0.10 -0.11 0.23 -0.04 3.26 3.44 2o1dA1 HIS 193 HB3 0.10 0.08 0.15 -0.04 3.20 3.48 2o1dA1 HIS 193 HD2 0.10 0.20 -0.02 -0.04 6.97 7.19 2o1dA1 HIS 193 HE1 0.06 -0.07 0.01 -0.04 7.75 7.70 2o1dA1 ILE 194 H 0.17 0.39 0.35 -0.55 8.25 8.62 2o1dA1 ILE 194 HA 0.20 0.35 1.03 -0.75 4.18 5.00 2o1dA1 ILE 194 HB 0.10 -0.10 -0.07 -0.04 1.89 1.77 2o1dA1 ILE 194 HG12 0.10 0.05 -0.17 -0.04 1.49 1.43 2o1dA1 ILE 194 HG13 0.11 0.04 -0.94 -0.04 1.21 0.38 2o1dA1 ILE 194 HG23 0.13 0.00 -0.23 -0.04 0.93 0.79 2o1dA1 ILE 194 HD13 0.03 -0.00 -0.32 -0.04 0.88 0.55 2o1dA1 TRP 195 H 0.33 0.66 0.39 -0.55 7.97 8.80 2o1dA1 TRP 195 HA 0.12 0.27 1.00 -0.75 4.62 5.26 2o1dA1 TRP 195 HB2 0.12 -0.02 0.01 -0.04 3.23 3.30 2o1dA1 TRP 195 HB3 0.10 -0.02 0.19 -0.04 3.23 3.46 2o1dA1 TRP 195 HD1 0.12 0.22 -0.01 -0.04 7.22 7.50 2o1dA1 TRP 195 HE1 0.13 -0.07 -0.11 -0.04 10.20 10.11 2o1dA1 TRP 195 HE3 0.08 0.03 -0.19 -0.04 7.59 7.47 2o1dA1 TRP 195 HZ2 0.15 -0.03 -0.07 -0.04 7.44 7.45 2o1dA1 TRP 195 HZ3 0.07 0.12 -0.50 -0.04 7.13 6.77 2o1dA1 TRP 195 HH2 0.09 0.02 -0.10 -0.04 7.19 7.15 2o1dA1 ILE 196 H 0.29 0.60 0.33 -0.55 8.25 8.91 2o1dA1 ILE 196 HA 0.00 0.34 1.04 -0.75 4.18 4.81 2o1dA1 ILE 196 HB 0.13 -0.08 0.19 -0.04 1.89 2.09 2o1dA1 ILE 196 HG12 0.11 0.06 -0.05 -0.04 1.49 1.57 2o1dA1 ILE 196 HG13 0.13 -0.06 -0.33 -0.04 1.21 0.91 2o1dA1 ILE 196 HG23 0.19 -0.01 -0.10 -0.04 0.93 0.97 2o1dA1 ILE 196 HD13 0.06 -0.01 -0.13 -0.04 0.88 0.76 2o1dA1 ASP 197 H -0.27 0.75 0.31 -0.55 8.40 8.64 2o1dA1 ASP 197 HA -0.13 0.37 1.07 -0.75 4.63 5.18 2o1dA1 ASP 197 HB2 -1.14 -0.05 -0.20 -0.04 2.71 1.28 2o1dA1 ASP 197 HB3 -1.26 0.03 -0.04 -0.04 2.70 1.39 2o1dA1 HIS 198 H -0.16 0.45 0.12 -0.55 8.41 8.27 2o1dA1 HIS 198 HA 0.01 0.39 0.50 -0.75 4.63 4.77 2o1dA1 HIS 198 HB2 -0.14 -0.04 -0.16 -0.04 3.26 2.89 2o1dA1 HIS 198 HB3 -0.07 -0.02 0.29 -0.04 3.20 3.36 2o1dA1 HIS 198 HD2 -0.02 0.27 0.21 -0.04 6.97 7.38 2o1dA1 HIS 198 HE1 -0.48 -0.07 -0.02 -0.04 7.75 7.13 2o1dA1 CYS 199 H -0.04 0.07 -0.26 -0.55 8.50 7.72 2o1dA1 CYS 199 HA -0.13 0.13 0.98 -0.75 4.58 4.80 2o1dA1 CYS 199 HB2 -0.11 -0.08 -0.08 -0.04 2.97 2.66 2o1dA1 CYS 199 HB3 -0.52 0.16 0.08 -0.04 2.97 2.65 2o1dA1 THR 200 H -0.32 0.62 0.42 -0.55 8.28 8.46 2o1dA1 THR 200 HA -0.17 0.24 1.04 -0.75 4.39 4.75 2o1dA1 THR 200 HB -0.13 -0.04 0.18 -0.04 4.32 4.28 2o1dA1 THR 200 HG23 -0.09 0.04 -0.03 -0.04 1.22 1.10 2o1dA1 PHE 201 H -0.17 0.80 0.39 -0.55 8.34 8.80 2o1dA1 PHE 201 HA -0.13 0.31 1.08 -0.75 4.62 5.12 2o1dA1 PHE 201 HB2 -0.31 -0.07 0.15 -0.04 3.15 2.88 2o1dA1 PHE 201 HB3 -0.22 0.00 0.06 -0.04 3.06 2.86 2o1dA1 PHE 201 HD2 -0.56 0.01 -0.15 -0.04 7.28 6.54 2o1dA1 PHE 201 HE2 -0.62 -0.00 -0.18 -0.04 7.38 6.54 2o1dA1 PHE 201 HZ -0.24 0.01 -0.14 -0.04 7.32 6.90 2o1dA1 ASN 202 H -0.13 0.64 0.42 -0.55 8.53 8.91 2o1dA1 ASN 202 HA -0.31 0.38 0.69 -0.75 4.76 4.76 2o1dA1 ASN 202 HB2 -0.43 -0.06 0.23 -0.04 2.88 2.59 2o1dA1 ASN 202 HB3 -1.26 0.09 -0.02 -0.04 2.79 1.57 2o1dA1 ASN 202 HD21 -0.08 0.01 -0.13 -0.04 7.03 6.79 2o1dA1 ASN 202 HD22 -0.28 0.05 -0.15 -0.04 7.74 7.32 2o1dA1 ASP 203 H -0.15 0.40 0.26 -0.55 8.40 8.36 2o1dA1 ASP 203 HA -0.16 0.01 0.86 -0.75 4.63 4.59 2o1dA1 ASP 203 HB2 0.01 0.15 0.19 -0.04 2.71 3.02 2o1dA1 ASP 203 HB3 -0.06 0.04 0.04 -0.04 2.70 2.68 2o1dA1 GLY 204 H -0.07 0.07 -0.30 -0.55 8.43 7.59 2o1dA1 GLY 204 HA2 -0.01 0.08 0.24 -0.51 4.01 3.80 2o1dA1 GLY 204 HA3 0.00 -0.02 0.27 -0.51 4.01 3.75 2o1dA1 SER 205 H 0.01 0.12 0.15 -0.55 8.46 8.19 2o1dA1 SER 205 HA 0.02 0.12 0.52 -0.75 4.49 4.40 2o1dA1 SER 205 HB2 -0.02 -0.00 0.06 -0.04 3.95 3.95 2o1dA1 SER 205 HB3 -0.01 0.03 0.09 -0.04 3.93 4.00 2o1dA1 ARG 206 H 0.07 0.25 -0.16 -0.55 8.46 8.08 2o1dA1 ARG 206 HA 0.06 0.23 0.94 -0.75 4.34 4.82 2o1dA1 ARG 206 HB2 0.14 -0.02 0.13 -0.04 1.90 2.11 2o1dA1 ARG 206 HB3 0.10 0.02 0.08 -0.04 1.80 1.97 2o1dA1 ARG 206 HG2 -0.07 0.11 -0.16 -0.04 1.67 1.51 2o1dA1 ARG 206 HG3 -0.08 -0.15 -0.23 -0.04 1.67 1.17 2o1dA1 ARG 206 HD2 -0.59 0.02 -0.03 -0.04 3.22 2.58 2o1dA1 ARG 206 HD3 -0.32 -0.01 -0.04 -0.04 3.22 2.81 2o1dA1 PRO 207 HA 0.26 0.09 0.45 -0.51 4.44 4.74 2o1dA1 PRO 207 HB2 0.15 -0.13 0.00 -0.04 2.28 2.26 2o1dA1 PRO 207 HB3 0.25 0.08 0.04 -0.04 2.02 2.36 2o1dA1 PRO 207 HG2 0.06 -0.05 -0.08 -0.04 2.03 1.92 2o1dA1 PRO 207 HG3 0.10 0.06 -0.04 -0.04 2.03 2.11 2o1dA1 PRO 207 HD2 0.07 0.25 -0.17 -0.04 3.68 3.79 2o1dA1 PRO 207 HD3 0.09 0.23 -0.32 -0.04 3.65 3.61 2o1dA1 ASP 208 H 0.19 0.15 0.13 -0.55 8.40 8.32 2o1dA1 ASP 208 HA 0.07 0.10 0.34 -0.75 4.63 4.39 2o1dA1 ASP 208 HB2 -0.36 0.07 0.08 -0.04 2.71 2.46 2o1dA1 ASP 208 HB3 -0.07 0.07 0.08 -0.04 2.70 2.73 2o1dA1 SER 209 H -0.15 -0.02 -0.40 -0.55 8.46 7.34 2o1dA1 SER 209 HA -0.10 0.17 0.48 -0.75 4.49 4.30 2o1dA1 SER 209 HB2 -0.05 0.02 0.05 -0.04 3.95 3.93 2o1dA1 SER 209 HB3 -0.14 -0.06 0.05 -0.04 3.93 3.75 2o1dA1 THR 210 H 0.01 0.50 -0.45 -0.55 8.28 7.79 2o1dA1 THR 210 HA -0.00 0.15 0.81 -0.75 4.39 4.59 2o1dA1 THR 210 HB 0.02 -0.06 0.12 -0.04 4.32 4.35 2o1dA1 THR 210 HG23 0.02 -0.02 -0.09 -0.04 1.22 1.10 2o1dA1 SER 211 H -0.00 0.35 -0.17 -0.55 8.46 8.09 2o1dA1 SER 211 HA 0.04 0.14 0.91 -0.75 4.49 4.83 2o1dA1 SER 211 HB2 -0.02 -0.02 0.10 -0.04 3.95 3.96 2o1dA1 SER 211 HB3 0.04 0.09 0.16 -0.04 3.93 4.19 2o1dA1 PRO 212 HA -0.17 0.11 0.49 -0.51 4.44 4.36 2o1dA1 PRO 212 HB2 -0.58 0.07 -0.03 -0.04 2.28 1.70 2o1dA1 PRO 212 HB3 -0.20 0.02 0.08 -0.04 2.02 1.88 2o1dA1 PRO 212 HG2 -0.90 -0.02 -0.04 -0.04 2.03 1.04 2o1dA1 PRO 212 HG3 -0.22 0.01 0.04 -0.04 2.03 1.82 2o1dA1 PRO 212 HD2 0.00 0.09 0.25 -0.04 3.68 3.98 2o1dA1 PRO 212 HD3 -0.05 0.21 0.19 -0.04 3.65 3.97 2o1dA1 LYS 213 H -0.21 0.15 0.11 -0.55 8.42 7.91 2o1dA1 LYS 213 HA -0.18 0.24 0.70 -0.75 4.32 4.34 2o1dA1 LYS 213 HB2 -0.05 -0.04 0.00 -0.04 1.87 1.74 2o1dA1 LYS 213 HB3 0.01 -0.11 -0.38 -0.04 1.79 1.27 2o1dA1 LYS 213 HG2 0.01 -0.03 -0.44 -0.04 1.46 0.95 2o1dA1 LYS 213 HG3 -0.05 0.04 -0.22 -0.04 1.46 1.19 2o1dA1 LYS 213 HD2 -0.00 -0.05 -0.11 -0.04 1.69 1.50 2o1dA1 LYS 213 HD3 0.04 0.12 -0.27 -0.04 1.68 1.53 2o1dA1 LYS 213 HE2 0.02 -0.01 -0.08 -0.04 2.99 2.88 2o1dA1 LYS 213 HE3 -0.01 0.03 -0.07 -0.04 2.99 2.89 2o1dA1 TYR 214 H -0.10 0.67 0.13 -0.55 8.29 8.44 2o1dA1 TYR 214 HA -0.18 0.11 0.84 -0.75 4.56 4.58 2o1dA1 TYR 214 HB2 -0.39 0.06 0.02 -0.04 3.06 2.71 2o1dA1 TYR 214 HB3 -0.58 -0.01 -0.01 -0.04 2.98 2.34 2o1dA1 TYR 214 HD2 -0.96 0.03 -0.00 -0.04 7.15 6.18 2o1dA1 TYR 214 HE2 -0.89 0.01 -0.05 -0.04 6.85 5.88 2o1dA1 TYR 215 H 0.08 0.15 0.10 -0.55 8.29 8.06 2o1dA1 TYR 215 HA -0.01 0.01 0.32 -0.75 4.56 4.11 2o1dA1 TYR 215 HB2 -0.46 0.20 0.21 -0.04 3.06 2.96 2o1dA1 TYR 215 HB3 -0.21 0.03 0.21 -0.04 2.98 2.97 2o1dA1 TYR 215 HD2 -1.77 0.01 -0.02 -0.04 7.15 5.32 2o1dA1 TYR 215 HE2 -0.89 0.02 -0.05 -0.04 6.85 5.88 2o1dA1 GLY 216 H 0.12 0.02 -0.44 -0.55 8.43 7.59 2o1dA1 GLY 216 HA2 0.09 -0.03 0.14 -0.51 4.01 3.70 2o1dA1 GLY 216 HA3 0.13 0.11 0.37 -0.51 4.01 4.11 2o1dA1 ARG 217 H 0.24 0.33 -0.54 -0.55 8.46 7.94 2o1dA1 ARG 217 HA 0.22 0.14 0.86 -0.75 4.34 4.80 2o1dA1 ARG 217 HB2 0.67 0.06 -0.06 -0.04 1.90 2.53 2o1dA1 ARG 217 HB3 0.51 -0.07 -0.03 -0.04 1.80 2.17 2o1dA1 ARG 217 HG2 0.32 -0.04 -0.51 -0.04 1.67 1.40 2o1dA1 ARG 217 HG3 0.67 0.08 -0.19 -0.04 1.67 2.19 2o1dA1 ARG 217 HD2 0.26 0.24 -0.25 -0.04 3.22 3.42 2o1dA1 ARG 217 HD3 0.28 -0.12 0.02 -0.04 3.22 3.36 2o1dA1 LYS 218 H 0.15 0.14 0.12 -0.55 8.42 8.27 2o1dA1 LYS 218 HA -0.02 0.11 0.38 -0.75 4.32 4.03 2o1dA1 LYS 218 HB2 0.03 0.02 0.10 -0.04 1.87 1.98 2o1dA1 LYS 218 HB3 0.06 -0.06 0.09 -0.04 1.79 1.84 2o1dA1 LYS 218 HG2 -0.03 -0.13 -0.20 -0.04 1.46 1.06 2o1dA1 LYS 218 HG3 -0.06 0.14 -0.08 -0.04 1.46 1.42 2o1dA1 LYS 218 HD2 -0.04 -0.07 -0.02 -0.04 1.69 1.52 2o1dA1 LYS 218 HD3 -0.06 0.03 0.00 -0.04 1.68 1.61 2o1dA1 LYS 218 HE2 -0.03 -0.10 -0.06 -0.04 2.99 2.75 2o1dA1 LYS 218 HE3 -0.06 -0.02 -0.04 -0.04 2.99 2.82 2o1dA1 TYR 219 H -0.17 0.69 0.27 -0.55 8.29 8.52 2o1dA1 TYR 219 HA -0.95 0.03 0.58 -0.75 4.56 3.46 2o1dA1 TYR 219 HB2 -0.89 -0.04 0.04 -0.04 3.06 2.12 2o1dA1 TYR 219 HB3 -0.52 0.02 0.19 -0.04 2.98 2.63 2o1dA1 TYR 219 HD2 -1.27 0.00 -0.02 -0.04 7.15 5.82 2o1dA1 TYR 219 HE2 -0.44 0.01 -0.07 -0.04 6.85 6.32 2o1dA1 GLN 220 H -0.09 0.28 0.08 -0.55 8.47 8.19 2o1dA1 GLN 220 HA -0.19 -0.03 0.26 -0.75 4.36 3.64 2o1dA1 GLN 220 HB2 0.02 0.02 0.03 -0.04 2.15 2.19 2o1dA1 GLN 220 HB3 0.04 0.11 0.08 -0.04 2.02 2.21 2o1dA1 GLN 220 HG2 0.01 0.02 0.05 -0.04 2.40 2.43 2o1dA1 GLN 220 HG3 -0.06 0.14 -0.12 -0.04 2.39 2.30 2o1dA1 GLN 220 HE21 0.03 -0.09 0.02 -0.04 6.97 6.90 2o1dA1 GLN 220 HE22 0.01 0.05 0.02 -0.04 7.69 7.73 2o1dA1 HIS 221 H -0.34 0.16 0.23 -0.55 8.41 7.92 2o1dA1 HIS 221 HA -0.61 0.18 0.61 -0.75 4.63 4.05 2o1dA1 HIS 221 HB2 -1.00 0.01 0.08 -0.04 3.26 2.31 2o1dA1 HIS 221 HB3 -1.73 -0.16 0.11 -0.04 3.20 1.37 2o1dA1 HIS 221 HD2 -0.29 0.03 0.06 -0.04 6.97 6.73 2o1dA1 HIS 221 HE1 -0.16 -0.03 -0.01 -0.04 7.75 7.50 2o1dA1 HIS 222 H -0.16 0.01 -0.09 -0.55 8.41 7.62 2o1dA1 HIS 222 HA 0.00 0.42 0.98 -0.75 4.63 5.28 2o1dA1 HIS 222 HB2 -0.05 -0.10 0.02 -0.04 3.26 3.09 2o1dA1 HIS 222 HB3 0.17 0.08 0.05 -0.04 3.20 3.45 2o1dA1 HIS 222 HD2 0.13 0.19 -0.43 -0.04 6.97 6.81 2o1dA1 HIS 222 HE1 0.14 0.44 0.06 -0.04 7.75 8.35 2o1dA1 ASP 223 H 0.20 0.41 0.05 -0.55 8.40 8.52 2o1dA1 ASP 223 HA 0.05 0.12 0.70 -0.75 4.63 4.75 2o1dA1 ASP 223 HB2 -0.01 -0.07 -0.58 -0.04 2.71 2.01 2o1dA1 ASP 223 HB3 0.06 -0.02 -0.34 -0.04 2.70 2.35 2o1dA1 GLY 224 H 0.07 0.08 -0.01 -0.55 8.43 8.02 2o1dA1 GLY 224 HA2 0.14 0.52 0.58 -0.51 4.01 4.74 2o1dA1 GLY 224 HA3 0.03 -0.09 0.23 -0.51 4.01 3.68 2o1dA1 GLN 225 H -0.10 0.75 0.35 -0.55 8.47 8.92 2o1dA1 GLN 225 HA -0.23 0.03 0.94 -0.75 4.36 4.35 2o1dA1 GLN 225 HB2 -0.15 0.06 0.21 -0.04 2.15 2.23 2o1dA1 GLN 225 HB3 -0.36 -0.03 0.03 -0.04 2.02 1.61 2o1dA1 GLN 225 HG2 -0.61 -0.00 -0.09 -0.04 2.40 1.65 2o1dA1 GLN 225 HG3 -1.13 0.06 -0.19 -0.04 2.39 1.10 2o1dA1 GLN 225 HE21 -0.05 0.01 -0.17 -0.04 6.97 6.72 2o1dA1 GLN 225 HE22 -0.29 -0.04 -0.38 -0.04 7.69 6.94 2o1dA1 THR 226 H -0.13 0.37 0.16 -0.55 8.28 8.13 2o1dA1 THR 226 HA -0.13 0.33 0.91 -0.75 4.39 4.75 2o1dA1 THR 226 HB 0.04 0.02 -0.03 -0.04 4.32 4.31 2o1dA1 THR 226 HG23 -0.57 -0.01 -0.15 -0.04 1.22 0.45 2o1dA1 ASP 227 H 0.01 0.49 0.16 -0.55 8.40 8.52 2o1dA1 ASP 227 HA 0.17 0.09 0.86 -0.75 4.63 5.00 2o1dA1 ASP 227 HB2 0.04 0.02 0.11 -0.04 2.71 2.83 2o1dA1 ASP 227 HB3 0.06 0.05 0.03 -0.04 2.70 2.80 2o1dA1 ALA 228 H 0.26 0.66 0.30 -0.55 8.40 9.08 2o1dA1 ALA 228 HA 0.00 0.25 0.93 -0.75 4.34 4.77 2o1dA1 ALA 228 HB3 -0.18 0.00 -0.06 -0.04 1.41 1.13 2o1dA1 SER 229 H -0.02 0.87 0.43 -0.55 8.46 9.19 2o1dA1 SER 229 HA -0.00 -0.02 1.00 -0.75 4.49 4.72 2o1dA1 SER 229 HB2 0.00 0.11 -0.03 -0.04 3.95 3.99 2o1dA1 SER 229 HB3 -0.01 0.03 -0.01 -0.04 3.93 3.90 2o1dA1 ASN 230 H -0.04 0.06 0.20 -0.55 8.53 8.21 2o1dA1 ASN 230 HA -0.06 0.02 0.35 -0.75 4.76 4.31 2o1dA1 ASN 230 HB2 -0.03 0.04 -0.30 -0.04 2.88 2.54 2o1dA1 ASN 230 HB3 -0.04 0.12 0.08 -0.04 2.79 2.90 2o1dA1 ASN 230 HD21 -0.02 0.03 -0.06 -0.04 7.03 6.94 2o1dA1 ASN 230 HD22 -0.02 0.04 -0.14 -0.04 7.74 7.58 2o1dA1 GLY 231 H -0.11 -0.00 -0.05 -0.55 8.43 7.73 2o1dA1 GLY 231 HA2 -0.17 0.03 0.25 -0.51 4.01 3.61 2o1dA1 GLY 231 HA3 -0.12 0.15 0.34 -0.51 4.01 3.86 2o1dA1 ALA 232 H -0.11 0.08 -0.47 -0.55 8.40 7.36 2o1dA1 ALA 232 HA -0.13 0.36 0.27 -0.75 4.34 4.09 2o1dA1 ALA 232 HB3 -0.12 -0.03 -0.01 -0.04 1.41 1.21 2o1dA1 ASN 233 H -0.21 0.63 0.26 -0.55 8.53 8.66 2o1dA1 ASN 233 HA -0.52 -0.16 0.79 -0.75 4.76 4.12 2o1dA1 ASN 233 HB2 -0.44 0.29 -0.30 -0.04 2.88 2.39 2o1dA1 ASN 233 HB3 -0.81 0.01 -0.04 -0.04 2.79 1.91 2o1dA1 ASN 233 HD21 -0.71 0.12 0.08 -0.04 7.03 6.47 2o1dA1 ASN 233 HD22 -0.67 0.03 -0.01 -0.04 7.74 7.06 2o1dA1 TYR 234 H -0.59 0.17 0.24 -0.55 8.29 7.56 2o1dA1 TYR 234 HA 0.00 0.02 0.26 -0.75 4.56 4.09 2o1dA1 TYR 234 HB2 -0.51 -0.13 0.29 -0.04 3.06 2.66 2o1dA1 TYR 234 HB3 -0.07 0.19 0.17 -0.04 2.98 3.24 2o1dA1 TYR 234 HD2 -0.33 0.03 0.01 -0.04 7.15 6.82 2o1dA1 TYR 234 HE2 -0.46 0.01 0.00 -0.04 6.85 6.37 2o1dA1 ILE 235 H 0.14 0.39 0.18 -0.55 8.25 8.41 2o1dA1 ILE 235 HA 0.15 0.28 1.00 -0.75 4.18 4.86 2o1dA1 ILE 235 HB -0.07 -0.07 -0.07 -0.04 1.89 1.63 2o1dA1 ILE 235 HG12 -0.00 0.05 -0.29 -0.04 1.49 1.21 2o1dA1 ILE 235 HG13 -0.06 0.00 -1.04 -0.04 1.21 0.07 2o1dA1 ILE 235 HG23 0.04 -0.00 -0.28 -0.04 0.93 0.64 2o1dA1 ILE 235 HD13 -0.18 0.01 -0.33 -0.04 0.88 0.33 2o1dA1 THR 236 H 0.26 0.81 0.45 -0.55 8.28 9.24 2o1dA1 THR 236 HA 0.27 0.15 1.05 -0.75 4.39 5.10 2o1dA1 THR 236 HB 0.19 0.04 0.21 -0.04 4.32 4.72 2o1dA1 THR 236 HG23 0.33 -0.00 -0.16 -0.04 1.22 1.34 2o1dA1 MET 237 H 0.23 0.82 0.35 -0.55 8.47 9.32 2o1dA1 MET 237 HA 0.23 0.36 1.05 -0.75 4.52 5.40 2o1dA1 MET 237 HB2 0.22 -0.07 0.19 -0.04 2.15 2.45 2o1dA1 MET 237 HB3 0.20 0.02 0.07 -0.04 2.03 2.27 2o1dA1 MET 237 HG2 0.16 0.04 -0.18 -0.04 2.63 2.61 2o1dA1 MET 237 HG3 0.15 -0.05 -0.24 -0.04 2.56 2.38 2o1dA1 MET 237 HE3 0.02 0.01 -0.23 -0.04 2.10 1.85 2o1dA1 SER 238 H 0.13 0.61 0.35 -0.55 8.46 9.01 2o1dA1 SER 238 HA -0.25 0.37 1.15 -0.75 4.49 5.00 2o1dA1 SER 238 HB2 -0.23 0.04 0.04 -0.04 3.95 3.76 2o1dA1 SER 238 HB3 -0.48 -0.06 -0.11 -0.04 3.93 3.23 2o1dA1 TYR 239 H -0.38 0.45 0.16 -0.55 8.29 7.97 2o1dA1 TYR 239 HA -0.13 0.49 0.45 -0.75 4.56 4.61 2o1dA1 TYR 239 HB2 -0.76 -0.07 -0.17 -0.04 3.06 2.01 2o1dA1 TYR 239 HB3 -0.98 0.12 0.27 -0.04 2.98 2.35 2o1dA1 TYR 239 HD2 -0.06 -0.01 -0.15 -0.04 7.15 6.88 2o1dA1 TYR 239 HE2 0.03 -0.02 -0.04 -0.04 6.85 6.79 2o1dA1 ASN 240 H -0.04 0.05 -0.31 -0.55 8.53 7.68 2o1dA1 ASN 240 HA -0.04 0.22 1.04 -0.75 4.76 5.23 2o1dA1 ASN 240 HB2 -0.12 -0.06 -0.08 -0.04 2.88 2.59 2o1dA1 ASN 240 HB3 -0.13 0.06 -0.09 -0.04 2.79 2.60 2o1dA1 ASN 240 HD21 0.09 0.37 -0.08 -0.04 7.03 7.36 2o1dA1 ASN 240 HD22 0.12 -0.07 -0.24 -0.04 7.74 7.51 2o1dA1 TYR 241 H 0.02 0.65 0.38 -0.55 8.29 8.78 2o1dA1 TYR 241 HA -0.04 0.15 0.97 -0.75 4.56 4.89 2o1dA1 TYR 241 HB2 0.00 0.15 -0.30 -0.04 3.06 2.87 2o1dA1 TYR 241 HB3 0.01 -0.12 0.23 -0.04 2.98 3.06 2o1dA1 TYR 241 HD2 0.04 0.09 -0.05 -0.04 7.15 7.19 2o1dA1 TYR 241 HE2 -0.05 -0.04 -0.08 -0.04 6.85 6.63 2o1dA1 TYR 242 H 0.21 0.79 0.30 -0.55 8.29 9.04 2o1dA1 TYR 242 HA -0.01 0.17 0.93 -0.75 4.56 4.90 2o1dA1 TYR 242 HB2 -0.16 0.02 0.26 -0.04 3.06 3.14 2o1dA1 TYR 242 HB3 -0.01 -0.02 0.00 -0.04 2.98 2.91 2o1dA1 TYR 242 HD2 -0.49 0.09 -0.08 -0.04 7.15 6.63 2o1dA1 TYR 242 HE2 -0.41 -0.05 -0.13 -0.04 6.85 6.22 2o1dA1 HIS 243 H -0.27 0.76 0.37 -0.55 8.41 8.72 2o1dA1 HIS 243 HA -0.01 0.29 0.65 -0.75 4.63 4.81 2o1dA1 HIS 243 HB2 -0.09 -0.02 0.11 -0.04 3.26 3.22 2o1dA1 HIS 243 HB3 -0.28 -0.02 -0.11 -0.04 3.20 2.75 2o1dA1 HIS 243 HD2 -1.46 0.02 -0.23 -0.04 6.97 5.27 2o1dA1 HIS 243 HE1 -0.12 -0.03 -0.06 -0.04 7.75 7.49 2o1dA1 ASP 244 H -0.02 0.49 0.25 -0.55 8.40 8.58 2o1dA1 ASP 244 HA -0.51 0.11 0.49 -0.75 4.63 3.97 2o1dA1 ASP 244 HB2 -0.05 0.01 -0.02 -0.04 2.71 2.61 2o1dA1 ASP 244 HB3 0.08 -0.06 0.16 -0.04 2.70 2.84 2o1dA1 HIS 245 H -0.70 0.58 0.23 -0.55 8.41 7.97 2o1dA1 HIS 245 HA -0.47 0.01 0.58 -0.75 4.63 4.00 2o1dA1 HIS 245 HB2 -0.26 0.15 -0.39 -0.04 3.26 2.72 2o1dA1 HIS 245 HB3 -0.17 -0.03 -0.33 -0.04 3.20 2.63 2o1dA1 HIS 245 HD2 -0.06 -0.09 -0.92 -0.04 6.97 5.85 2o1dA1 HIS 245 HE1 -0.00 0.00 -0.20 -0.04 7.75 7.50 2o1dA1 ASP 246 H -0.66 0.16 0.04 -0.55 8.40 7.39 2o1dA1 ASP 246 HA 0.03 0.05 0.63 -0.75 4.63 4.59 2o1dA1 ASP 246 HB2 0.05 0.01 0.09 -0.04 2.71 2.81 2o1dA1 ASP 246 HB3 -0.15 -0.01 0.17 -0.04 2.70 2.67 2o1dA1 LYS 247 H -0.18 0.23 0.02 -0.55 8.42 7.94 2o1dA1 LYS 247 HA -0.05 0.15 0.50 -0.75 4.32 4.17 2o1dA1 LYS 247 HB2 0.03 0.11 -0.02 -0.04 1.87 1.95 2o1dA1 LYS 247 HB3 -0.01 -0.04 -0.15 -0.04 1.79 1.55 2o1dA1 LYS 247 HG2 -0.02 -0.00 -0.17 -0.04 1.46 1.22 2o1dA1 LYS 247 HG3 -0.03 -0.07 -0.08 -0.04 1.46 1.24 2o1dA1 LYS 247 HD2 -0.01 -0.03 -0.10 -0.04 1.69 1.51 2o1dA1 LYS 247 HD3 0.00 0.03 -0.07 -0.04 1.68 1.60 2o1dA1 LYS 247 HE2 -0.01 -0.01 -0.01 -0.04 2.99 2.92 2o1dA1 LYS 247 HE3 0.01 -0.02 -0.08 -0.04 2.99 2.86 2o1dA1 SER 248 H -0.05 0.61 0.21 -0.55 8.46 8.68 2o1dA1 SER 248 HA 0.00 0.01 0.31 -0.75 4.49 4.06 2o1dA1 SER 248 HB2 0.00 -0.02 -0.08 -0.04 3.95 3.81 2o1dA1 SER 248 HB3 -0.14 0.24 0.10 -0.04 3.93 4.09 2o1dA1 SER 249 H -0.18 0.70 0.23 -0.55 8.46 8.67 2o1dA1 SER 249 HA -0.13 0.20 0.87 -0.75 4.49 4.68 2o1dA1 SER 249 HB2 -0.41 -0.06 0.18 -0.04 3.95 3.61 2o1dA1 SER 249 HB3 -0.60 0.05 0.02 -0.04 3.93 3.36 2o1dA1 ILE 250 H -0.06 0.16 0.06 -0.55 8.25 7.86 2o1dA1 ILE 250 HA -0.17 0.19 1.02 -0.75 4.18 4.47 2o1dA1 ILE 250 HB -0.02 -0.04 0.06 -0.04 1.89 1.85 2o1dA1 ILE 250 HG12 -0.07 0.01 -0.06 -0.04 1.49 1.33 2o1dA1 ILE 250 HG13 -0.07 -0.10 -0.29 -0.04 1.21 0.71 2o1dA1 ILE 250 HG23 -0.02 0.00 -0.24 -0.04 0.93 0.63 2o1dA1 ILE 250 HD13 -0.04 0.01 -0.12 -0.04 0.88 0.69 2o1dA1 PHE 251 H -0.08 0.80 0.31 -0.55 8.34 8.83 2o1dA1 PHE 251 HA -0.02 0.15 1.01 -0.75 4.62 5.02 2o1dA1 PHE 251 HB2 0.01 -0.02 0.21 -0.04 3.15 3.30 2o1dA1 PHE 251 HB3 -0.02 0.01 0.03 -0.04 3.06 3.05 2o1dA1 PHE 251 HD2 0.01 -0.01 -0.28 -0.04 7.28 6.96 2o1dA1 PHE 251 HE2 0.03 0.13 -0.17 -0.04 7.38 7.33 2o1dA1 PHE 251 HZ 0.05 -0.00 -0.15 -0.04 7.32 7.18 2o1dA1 GLY 252 H 0.10 0.76 0.34 -0.55 8.43 9.08 2o1dA1 GLY 252 HA2 0.06 -0.15 0.51 -0.51 4.01 3.92 2o1dA1 GLY 252 HA3 0.11 0.19 0.84 -0.51 4.01 4.64 2o1dA1 SER 253 H 0.03 0.02 0.19 -0.55 8.46 8.15 2o1dA1 SER 253 HA -0.00 0.24 0.44 -0.75 4.49 4.41 2o1dA1 SER 253 HB2 -0.01 0.07 0.09 -0.04 3.95 4.06 2o1dA1 SER 253 HB3 0.01 0.02 0.01 -0.04 3.93 3.92 2o1dA1 SER 254 H 0.06 0.16 -0.19 -0.55 8.46 7.94 2o1dA1 SER 254 HA -0.00 0.16 0.67 -0.75 4.49 4.56 2o1dA1 SER 254 HB2 -0.00 0.22 -0.24 -0.04 3.95 3.88 2o1dA1 SER 254 HB3 0.01 -0.07 -0.03 -0.04 3.93 3.80 2o1dA1 ASP 255 H 0.00 0.23 0.11 -0.55 8.40 8.19 2o1dA1 ASP 255 HA 0.09 0.14 0.48 -0.75 4.63 4.57 2o1dA1 ASP 255 HB2 -0.00 -0.01 0.10 -0.04 2.71 2.76 2o1dA1 ASP 255 HB3 0.01 0.06 0.02 -0.04 2.70 2.75 2o1dA1 SER 256 H 0.04 0.04 -0.26 -0.55 8.46 7.73 2o1dA1 SER 256 HA 0.05 0.16 0.47 -0.75 4.49 4.41 2o1dA1 SER 256 HB2 0.00 0.00 -0.07 -0.04 3.95 3.84 2o1dA1 SER 256 HB3 0.00 0.05 0.07 -0.04 3.93 4.00 2o1dA1 LYS 257 H 0.07 0.28 -0.52 -0.55 8.42 7.70 2o1dA1 LYS 257 HA -0.08 0.11 0.51 -0.75 4.32 4.10 2o1dA1 LYS 257 HB2 -0.01 -0.04 0.07 -0.04 1.87 1.85 2o1dA1 LYS 257 HB3 -0.04 0.02 0.23 -0.04 1.79 1.96 2o1dA1 LYS 257 HG2 -0.11 -0.08 0.04 -0.04 1.46 1.28 2o1dA1 LYS 257 HG3 -0.09 0.07 0.01 -0.04 1.46 1.41 2o1dA1 LYS 257 HD2 -0.03 -0.09 0.04 -0.04 1.69 1.57 2o1dA1 LYS 257 HD3 -0.05 0.00 0.03 -0.04 1.68 1.62 2o1dA1 LYS 257 HE2 -0.04 0.07 -0.04 -0.04 2.99 2.94 2o1dA1 LYS 257 HE3 -0.03 -0.03 -0.08 -0.04 2.99 2.81 2o1dA1 THR 258 H -0.13 0.54 0.04 -0.55 8.28 8.19 2o1dA1 THR 258 HA -0.84 0.10 0.23 -0.75 4.39 3.14 2o1dA1 THR 258 HB -0.12 0.02 0.07 -0.04 4.32 4.24 2o1dA1 THR 258 HG23 0.08 0.02 -0.01 -0.04 1.22 1.27 2o1dA1 SER 259 H -0.21 0.04 -0.27 -0.55 8.46 7.47 2o1dA1 SER 259 HA -0.19 0.16 0.52 -0.75 4.49 4.23 2o1dA1 SER 259 HB2 -0.13 0.08 0.03 -0.04 3.95 3.89 2o1dA1 SER 259 HB3 -0.12 0.01 0.06 -0.04 3.93 3.84 2o1dA1 ASP 260 H -0.45 0.45 -0.37 -0.55 8.40 7.49 2o1dA1 ASP 260 HA -0.23 0.01 0.51 -0.75 4.63 4.18 2o1dA1 ASP 260 HB2 -0.49 0.26 0.05 -0.04 2.71 2.49 2o1dA1 ASP 260 HB3 -0.11 0.03 -0.07 -0.04 2.70 2.51 2o1dA1 ASP 261 H -0.57 0.40 -0.36 -0.55 8.40 7.32 2o1dA1 ASP 261 HA -0.05 0.05 0.45 -0.75 4.63 4.32 2o1dA1 ASP 261 HB2 -0.22 -0.03 0.15 -0.04 2.71 2.56 2o1dA1 ASP 261 HB3 -0.17 0.06 0.12 -0.04 2.70 2.67 2o1dA1 GLY 262 H -0.11 0.22 0.15 -0.55 8.43 8.13 2o1dA1 GLY 262 HA2 -0.20 -0.03 0.36 -0.51 4.01 3.64 2o1dA1 GLY 262 HA3 -0.16 0.08 0.55 -0.51 4.01 3.98 2o1dA1 LYS 263 H -0.23 0.46 -0.54 -0.55 8.42 7.56 2o1dA1 LYS 263 HA -0.47 0.10 0.78 -0.75 4.32 3.99 2o1dA1 LYS 263 HB2 -0.24 -0.00 0.02 -0.04 1.87 1.60 2o1dA1 LYS 263 HB3 -0.32 -0.00 0.03 -0.04 1.79 1.46 2o1dA1 LYS 263 HG2 -0.28 -0.01 -0.12 -0.04 1.46 1.01 2o1dA1 LYS 263 HG3 -0.22 0.07 -0.40 -0.04 1.46 0.87 2o1dA1 LYS 263 HD2 -0.18 0.05 0.02 -0.04 1.69 1.53 2o1dA1 LYS 263 HD3 -0.19 0.09 0.04 -0.04 1.68 1.58 2o1dA1 LYS 263 HE2 -0.12 -0.06 -0.01 -0.04 2.99 2.76 2o1dA1 LYS 263 HE3 -0.14 -0.04 -0.04 -0.04 2.99 2.73 2o1dA1 LEU 264 H -0.34 0.58 0.14 -0.55 8.37 8.20 2o1dA1 LEU 264 HA -0.30 0.12 0.18 -0.75 4.35 3.60 2o1dA1 LEU 264 HB2 -0.12 0.13 0.01 -0.04 1.64 1.61 2o1dA1 LEU 264 HB3 -0.11 -0.07 0.08 -0.04 1.64 1.50 2o1dA1 LEU 264 HG -0.13 -0.02 -0.16 -0.04 1.64 1.29 2o1dA1 LEU 264 HD13 0.06 -0.01 -0.12 -0.04 0.93 0.82 2o1dA1 LEU 264 HD23 -0.10 -0.01 -0.15 -0.04 0.89 0.60 2o1dA1 LYS 265 H -0.66 0.05 -0.14 -0.55 8.42 7.11 2o1dA1 LYS 265 HA -0.91 0.36 0.64 -0.75 4.32 3.66 2o1dA1 LYS 265 HB2 -1.26 -0.18 0.23 -0.04 1.87 0.62 2o1dA1 LYS 265 HB3 -3.17 -0.02 0.11 -0.04 1.79 -1.33 2o1dA1 LYS 265 HG2 -1.58 0.04 0.04 -0.04 1.46 -0.08 2o1dA1 LYS 265 HG3 -0.95 0.08 -0.20 -0.04 1.46 0.35 2o1dA1 LYS 265 HD2 -0.96 0.05 0.07 -0.04 1.69 0.81 2o1dA1 LYS 265 HD3 -2.02 -0.08 0.06 -0.04 1.68 -0.40 2o1dA1 LYS 265 HE2 -0.46 -0.02 0.05 -0.04 2.99 2.52 2o1dA1 LYS 265 HE3 -0.72 -0.06 0.03 -0.04 2.99 2.20 2o1dA1 ILE 266 H -0.08 0.48 0.27 -0.55 8.25 8.37 2o1dA1 ILE 266 HA 0.09 0.19 0.97 -0.75 4.18 4.68 2o1dA1 ILE 266 HB -0.10 0.03 -0.06 -0.04 1.89 1.72 2o1dA1 ILE 266 HG12 -0.32 0.00 -0.29 -0.04 1.49 0.85 2o1dA1 ILE 266 HG13 -0.32 -0.13 -1.02 -0.04 1.21 -0.29 2o1dA1 ILE 266 HG23 -0.13 -0.01 -0.29 -0.04 0.93 0.45 2o1dA1 ILE 266 HD13 -0.98 0.02 -0.23 -0.04 0.88 -0.35 2o1dA1 THR 267 H 0.33 0.71 0.47 -0.55 8.28 9.24 2o1dA1 THR 267 HA 0.42 0.31 1.17 -0.75 4.39 5.53 2o1dA1 THR 267 HB 0.35 -0.06 0.34 -0.04 4.32 4.90 2o1dA1 THR 267 HG23 0.37 0.02 -0.09 -0.04 1.22 1.48 2o1dA1 LEU 268 H 0.24 0.81 0.36 -0.55 8.37 9.24 2o1dA1 LEU 268 HA 0.16 0.35 1.07 -0.75 4.35 5.18 2o1dA1 LEU 268 HB2 0.20 -0.05 0.23 -0.04 1.64 1.97 2o1dA1 LEU 268 HB3 0.23 -0.00 0.05 -0.04 1.64 1.88 2o1dA1 LEU 268 HG 0.36 -0.02 -0.20 -0.04 1.64 1.74 2o1dA1 LEU 268 HD13 0.30 -0.00 -0.12 -0.04 0.93 1.07 2o1dA1 LEU 268 HD23 0.37 0.02 -0.14 -0.04 0.89 1.10 2o1dA1 HIS 269 H -0.12 0.54 0.31 -0.55 8.41 8.60 2o1dA1 HIS 269 HA -0.38 0.32 0.73 -0.75 4.63 4.55 2o1dA1 HIS 269 HB2 -1.33 0.07 0.12 -0.04 3.26 2.08 2o1dA1 HIS 269 HB3 -1.24 -0.04 -0.09 -0.04 3.20 1.79 2o1dA1 HIS 269 HD2 0.11 -0.03 -0.18 -0.04 6.97 6.82 2o1dA1 HIS 269 HE1 0.36 0.02 -0.07 -0.04 7.75 8.02 2o1dA1 HIS 270 H -0.41 0.44 0.09 -0.55 8.41 7.99 2o1dA1 HIS 270 HA -0.21 0.40 0.54 -0.75 4.63 4.61 2o1dA1 HIS 270 HB2 -1.24 -0.03 -0.07 -0.04 3.26 1.89 2o1dA1 HIS 270 HB3 -1.18 0.03 0.26 -0.04 3.20 2.27 2o1dA1 HIS 270 HD2 -0.03 0.00 0.01 -0.04 6.97 6.91 2o1dA1 HIS 270 HE1 0.21 0.08 0.00 -0.04 7.75 8.00 2o1dA1 ASN 271 H -0.09 0.02 -0.33 -0.55 8.53 7.59 2o1dA1 ASN 271 HA -0.09 0.22 0.91 -0.75 4.76 5.05 2o1dA1 ASN 271 HB2 0.01 -0.06 -0.07 -0.04 2.88 2.72 2o1dA1 ASN 271 HB3 -0.16 0.11 -0.02 -0.04 2.79 2.67 2o1dA1 ASN 271 HD21 0.08 0.39 0.11 -0.04 7.03 7.57 2o1dA1 ASN 271 HD22 0.12 -0.07 -0.15 -0.04 7.74 7.60 2o1dA1 ARG 272 H -0.06 0.70 0.40 -0.55 8.46 8.94 2o1dA1 ARG 272 HA 0.01 0.23 1.00 -0.75 4.34 4.83 2o1dA1 ARG 272 HB2 -0.05 0.05 -0.05 -0.04 1.90 1.81 2o1dA1 ARG 272 HB3 0.02 -0.05 0.17 -0.04 1.80 1.91 2o1dA1 ARG 272 HG2 0.16 -0.04 -0.21 -0.04 1.67 1.54 2o1dA1 ARG 272 HG3 0.19 -0.03 -0.04 -0.04 1.67 1.75 2o1dA1 ARG 272 HD2 -0.24 0.06 -0.14 -0.04 3.22 2.86 2o1dA1 ARG 272 HD3 -1.09 0.03 -0.06 -0.04 3.22 2.06 2o1dA1 TYR 273 H 0.08 0.68 0.33 -0.55 8.29 8.83 2o1dA1 TYR 273 HA 0.19 0.35 1.02 -0.75 4.56 5.37 2o1dA1 TYR 273 HB2 -0.02 -0.08 0.23 -0.04 3.06 3.14 2o1dA1 TYR 273 HB3 0.06 -0.01 0.02 -0.04 2.98 3.01 2o1dA1 TYR 273 HD2 -0.49 0.04 -0.15 -0.04 7.15 6.51 2o1dA1 TYR 273 HE2 -0.57 -0.05 -0.15 -0.04 6.85 6.05 2o1dA1 LYS 274 H 0.29 0.74 0.28 -0.55 8.42 9.17 2o1dA1 LYS 274 HA 0.15 0.36 1.18 -0.75 4.32 5.26 2o1dA1 LYS 274 HB2 0.28 -0.01 -0.01 -0.04 1.87 2.09 2o1dA1 LYS 274 HB3 0.36 0.01 0.13 -0.04 1.79 2.25 2o1dA1 LYS 274 HG2 0.15 -0.04 -0.20 -0.04 1.46 1.32 2o1dA1 LYS 274 HG3 0.13 0.01 0.04 -0.04 1.46 1.60 2o1dA1 LYS 274 HD2 0.17 0.02 -0.03 -0.04 1.69 1.81 2o1dA1 LYS 274 HD3 0.17 0.01 -0.04 -0.04 1.68 1.78 2o1dA1 LYS 274 HE2 0.09 -0.02 -0.04 -0.04 2.99 2.97 2o1dA1 LYS 274 HE3 0.10 -0.03 -0.04 -0.04 2.99 2.98 2o1dA1 ASN 275 H 0.14 0.54 0.43 -0.55 8.53 9.09 2o1dA1 ASN 275 HA 0.15 0.07 0.45 -0.75 4.76 4.67 2o1dA1 ASN 275 HB2 0.11 -0.02 0.17 -0.04 2.88 3.10 2o1dA1 ASN 275 HB3 0.19 -0.02 0.28 -0.04 2.79 3.20 2o1dA1 ASN 275 HD21 0.10 0.02 -0.01 -0.04 7.03 7.10 2o1dA1 ASN 275 HD22 0.13 0.02 -0.03 -0.04 7.74 7.82 2o1dA1 ILE 276 H 0.15 0.15 -0.24 -0.55 8.25 7.76 2o1dA1 ILE 276 HA -0.02 0.36 0.84 -0.75 4.18 4.61 2o1dA1 ILE 276 HB 0.14 -0.04 -0.13 -0.04 1.89 1.82 2o1dA1 ILE 276 HG12 0.18 -0.03 -0.48 -0.04 1.49 1.12 2o1dA1 ILE 276 HG13 0.29 -0.02 -0.18 -0.04 1.21 1.26 2o1dA1 ILE 276 HG23 -0.01 -0.01 -0.26 -0.04 0.93 0.61 2o1dA1 ILE 276 HD13 0.06 -0.02 -0.38 -0.04 0.88 0.50 2o1dA1 VAL 277 H -0.01 0.47 0.29 -0.55 8.24 8.44 2o1dA1 VAL 277 HA -0.06 0.12 0.24 -0.75 4.13 3.68 2o1dA1 VAL 277 HB -0.03 -0.02 0.17 -0.04 2.12 2.20 2o1dA1 VAL 277 HG13 -0.06 0.04 -0.13 -0.04 0.97 0.78 2o1dA1 VAL 277 HG23 0.15 0.03 -0.17 -0.04 0.95 0.93 2o1dA1 GLN 278 H -0.19 0.56 0.17 -0.55 8.47 8.46 2o1dA1 GLN 278 HA -0.87 0.34 0.77 -0.75 4.36 3.85 2o1dA1 GLN 278 HB2 -0.76 -0.09 -0.03 -0.04 2.15 1.24 2o1dA1 GLN 278 HB3 -0.38 0.08 -0.35 -0.04 2.02 1.33 2o1dA1 GLN 278 HG2 -0.13 0.02 -0.27 -0.04 2.40 1.98 2o1dA1 GLN 278 HG3 -0.13 -0.07 -0.33 -0.04 2.39 1.82 2o1dA1 GLN 278 HE21 0.02 0.04 -0.11 -0.04 6.97 6.88 2o1dA1 GLN 278 HE22 -0.02 -0.04 -0.18 -0.04 7.69 7.41 2o1dA1 ALA 279 H -1.23 0.18 -0.06 -0.55 8.40 6.75 2o1dA1 ALA 279 HA 0.00 0.03 0.09 -0.75 4.34 3.72 2o1dA1 ALA 279 HB3 -0.08 0.02 -0.12 -0.04 1.41 1.19 2o1dA1 ALA 280 H -0.13 0.71 -0.03 -0.55 8.40 8.41 2o1dA1 ALA 280 HA -0.30 0.12 0.89 -0.75 4.34 4.29 2o1dA1 ALA 280 HB3 -0.50 0.01 -0.05 -0.04 1.41 0.83 2o1dA1 PRO 281 HA -0.28 0.25 -0.21 -0.51 4.44 3.70 2o1dA1 PRO 281 HB2 -0.67 0.08 -0.15 -0.04 2.28 1.50 2o1dA1 PRO 281 HB3 -0.63 0.02 -0.04 -0.04 2.02 1.33 2o1dA1 PRO 281 HG2 0.01 -0.02 -0.10 -0.04 2.03 1.88 2o1dA1 PRO 281 HG3 0.10 0.03 -0.07 -0.04 2.03 2.05 2o1dA1 PRO 281 HD2 0.16 -0.03 0.17 -0.04 3.68 3.94 2o1dA1 PRO 281 HD3 0.12 0.14 0.29 -0.04 3.65 4.15 2o1dA1 ARG 282 H -0.22 0.71 0.24 -0.55 8.46 8.64 2o1dA1 ARG 282 HA 0.12 0.05 1.05 -0.75 4.34 4.80 2o1dA1 ARG 282 HB2 0.14 -0.11 0.09 -0.04 1.90 1.98 2o1dA1 ARG 282 HB3 -0.06 -0.00 0.18 -0.04 1.80 1.87 2o1dA1 ARG 282 HG2 -0.11 0.10 -0.16 -0.04 1.67 1.46 2o1dA1 ARG 282 HG3 0.01 -0.03 -0.03 -0.04 1.67 1.58 2o1dA1 ARG 282 HD2 -0.11 -0.02 -0.08 -0.04 3.22 2.96 2o1dA1 ARG 282 HD3 -0.17 0.04 -0.15 -0.04 3.22 2.90 2o1dA1 VAL 283 H 0.06 0.70 0.32 -0.55 8.24 8.76 2o1dA1 VAL 283 HA 0.07 0.34 1.13 -0.75 4.13 4.93 2o1dA1 VAL 283 HB 0.08 -0.03 0.11 -0.04 2.12 2.24 2o1dA1 VAL 283 HG13 0.10 0.01 -0.20 -0.04 0.97 0.84 2o1dA1 VAL 283 HG23 0.15 -0.00 -0.20 -0.04 0.95 0.85 2o1dA1 ARG 284 H 0.05 0.76 0.39 -0.55 8.46 9.11 2o1dA1 ARG 284 HA -0.18 0.12 0.48 -0.75 4.34 4.01 2o1dA1 ARG 284 HB2 0.11 -0.06 0.12 -0.04 1.90 2.02 2o1dA1 ARG 284 HB3 -0.25 0.08 -0.05 -0.04 1.80 1.55 2o1dA1 ARG 284 HG2 -0.18 -0.15 -0.03 -0.04 1.67 1.27 2o1dA1 ARG 284 HG3 -0.10 0.04 -0.24 -0.04 1.67 1.34 2o1dA1 ARG 284 HD2 0.01 0.07 -0.50 -0.04 3.22 2.77 2o1dA1 ARG 284 HD3 0.05 0.06 -0.59 -0.04 3.22 2.70 2o1dA1 PHE 285 H -0.33 0.49 -0.27 -0.55 8.34 7.68 2o1dA1 PHE 285 HA -0.03 0.17 0.20 -0.75 4.62 4.20 2o1dA1 PHE 285 HB2 -0.07 0.12 -0.44 -0.04 3.15 2.72 2o1dA1 PHE 285 HB3 -0.08 -0.05 -0.32 -0.04 3.06 2.56 2o1dA1 PHE 285 HD2 -0.04 -0.02 -0.16 -0.04 7.28 7.02 2o1dA1 PHE 285 HE2 -0.03 0.02 -0.08 -0.04 7.38 7.24 2o1dA1 PHE 285 HZ -0.03 0.15 -0.14 -0.04 7.32 7.26 2o1dA1 GLY 286 H 0.07 0.32 -0.30 -0.55 8.43 7.97 2o1dA1 GLY 286 HA2 -0.14 0.24 0.17 -0.51 4.01 3.78 2o1dA1 GLY 286 HA3 -0.06 0.10 0.27 -0.51 4.01 3.80 2o1dA1 GLN 287 H -0.41 0.23 0.03 -0.55 8.47 7.77 2o1dA1 GLN 287 HA -0.25 0.25 0.78 -0.75 4.36 4.39 2o1dA1 GLN 287 HB2 -0.94 -0.05 0.18 -0.04 2.15 1.30 2o1dA1 GLN 287 HB3 -2.57 -0.06 0.04 -0.04 2.02 -0.61 2o1dA1 GLN 287 HG2 -1.20 0.09 0.02 -0.04 2.40 1.27 2o1dA1 GLN 287 HG3 -0.51 0.04 0.02 -0.04 2.39 1.90 2o1dA1 GLN 287 HE21 -0.09 -0.03 -0.00 -0.04 6.97 6.81 2o1dA1 GLN 287 HE22 -0.17 0.09 -0.04 -0.04 7.69 7.53 2o1dA1 VAL 288 H 0.31 0.32 -0.09 -0.55 8.24 8.23 2o1dA1 VAL 288 HA 0.36 0.27 1.05 -0.75 4.13 5.06 2o1dA1 VAL 288 HB 0.24 -0.09 0.04 -0.04 2.12 2.26 2o1dA1 VAL 288 HG13 0.33 -0.01 -0.20 -0.04 0.97 1.05 2o1dA1 VAL 288 HG23 0.18 0.02 -0.19 -0.04 0.95 0.91 2o1dA1 HIS 289 H 0.73 0.45 0.39 -0.55 8.41 9.43 2o1dA1 HIS 289 HA 0.34 0.24 0.94 -0.75 4.63 5.40 2o1dA1 HIS 289 HB2 0.52 -0.01 0.13 -0.04 3.26 3.85 2o1dA1 HIS 289 HB3 0.37 -0.11 0.29 -0.04 3.20 3.71 2o1dA1 HIS 289 HD2 0.19 0.34 0.08 -0.04 6.97 7.54 2o1dA1 HIS 289 HE1 -0.71 0.03 -0.12 -0.04 7.75 6.91 2o1dA1 VAL 290 H 0.27 0.76 0.37 -0.55 8.24 9.09 2o1dA1 VAL 290 HA 0.10 0.26 1.04 -0.75 4.13 4.77 2o1dA1 VAL 290 HB -0.30 -0.09 0.18 -0.04 2.12 1.86 2o1dA1 VAL 290 HG13 0.06 -0.01 -0.05 -0.04 0.97 0.94 2o1dA1 VAL 290 HG23 -0.04 0.03 -0.20 -0.04 0.95 0.70 2o1dA1 TYR 291 H -0.11 0.71 0.39 -0.55 8.29 8.73 2o1dA1 TYR 291 HA 0.02 0.18 0.99 -0.75 4.56 5.00 2o1dA1 TYR 291 HB2 -0.06 0.10 0.18 -0.04 3.06 3.25 2o1dA1 TYR 291 HB3 -0.24 -0.04 -0.14 -0.04 2.98 2.51 2o1dA1 TYR 291 HD2 -0.59 -0.01 -0.14 -0.04 7.15 6.37 2o1dA1 TYR 291 HE2 -0.07 0.05 -0.07 -0.04 6.85 6.71 2o1dA1 ASN 292 H 0.15 0.53 0.16 -0.55 8.53 8.82 2o1dA1 ASN 292 HA 0.01 0.33 0.53 -0.75 4.76 4.87 2o1dA1 ASN 292 HB2 -0.71 0.02 -0.02 -0.04 2.88 2.13 2o1dA1 ASN 292 HB3 -0.71 -0.02 0.31 -0.04 2.79 2.33 2o1dA1 ASN 292 HD21 0.12 0.23 0.10 -0.04 7.03 7.43 2o1dA1 ASN 292 HD22 0.09 0.36 0.27 -0.04 7.74 8.42 2o1dA1 ASN 293 H 0.14 0.04 -0.20 -0.55 8.53 7.96 2o1dA1 ASN 293 HA -0.02 0.21 0.95 -0.75 4.76 5.14 2o1dA1 ASN 293 HB2 0.35 -0.08 -0.05 -0.04 2.88 3.06 2o1dA1 ASN 293 HB3 -0.01 0.14 -0.02 -0.04 2.79 2.86 2o1dA1 ASN 293 HD21 0.08 0.31 -0.07 -0.04 7.03 7.31 2o1dA1 ASN 293 HD22 0.23 -0.09 -0.22 -0.04 7.74 7.62 2o1dA1 TYR 294 H 0.03 0.71 0.31 -0.55 8.29 8.79 2o1dA1 TYR 294 HA 0.10 0.24 1.10 -0.75 4.56 5.25 2o1dA1 TYR 294 HB2 0.02 -0.02 -0.16 -0.04 3.06 2.86 2o1dA1 TYR 294 HB3 -0.02 0.02 0.10 -0.04 2.98 3.04 2o1dA1 TYR 294 HD2 0.03 -0.02 -0.05 -0.04 7.15 7.07 2o1dA1 TYR 294 HE2 0.03 -0.04 -0.11 -0.04 6.85 6.69 2o1dA1 TYR 295 H -0.10 0.74 0.44 -0.55 8.29 8.83 2o1dA1 TYR 295 HA -0.02 0.26 1.05 -0.75 4.56 5.10 2o1dA1 TYR 295 HB2 -0.18 -0.14 0.17 -0.04 3.06 2.87 2o1dA1 TYR 295 HB3 -0.04 0.06 0.02 -0.04 2.98 2.98 2o1dA1 TYR 295 HD2 -0.06 0.08 -0.13 -0.04 7.15 7.00 2o1dA1 TYR 295 HE2 -0.13 0.11 -0.09 -0.04 6.85 6.69 2o1dA1 GLU 296 H -0.02 0.78 0.41 -0.55 8.60 9.23 2o1dA1 GLU 296 HA -0.19 0.26 0.99 -0.75 4.29 4.60 2o1dA1 GLU 296 HB2 0.01 0.02 0.11 -0.04 2.09 2.18 2o1dA1 GLU 296 HB3 -0.33 -0.00 -0.05 -0.04 1.99 1.56 2o1dA1 GLU 296 HG2 -0.06 0.02 -0.12 -0.04 2.34 2.14 2o1dA1 GLU 296 HG3 0.07 -0.11 0.19 -0.04 2.34 2.45 2o1dA1 GLY 297 H -0.09 0.65 0.43 -0.55 8.43 8.88 2o1dA1 GLY 297 HA2 0.07 0.02 0.56 -0.51 4.01 4.14 2o1dA1 GLY 297 HA3 0.10 0.07 0.46 -0.51 4.01 4.14 2o1dA1 SER 298 H 0.10 0.30 0.27 -0.55 8.46 8.59 2o1dA1 SER 298 HA -0.00 0.20 0.94 -0.75 4.49 4.87 2o1dA1 SER 298 HB2 0.03 0.13 -0.06 -0.04 3.95 4.00 2o1dA1 SER 298 HB3 0.06 -0.02 0.09 -0.04 3.93 4.01 2o1dA1 THR 299 H 0.03 0.27 0.16 -0.55 8.28 8.18 2o1dA1 THR 299 HA 0.13 0.26 0.62 -0.75 4.39 4.65 2o1dA1 THR 299 HB 0.07 0.08 0.09 -0.04 4.32 4.52 2o1dA1 THR 299 HG23 0.10 0.05 -0.02 -0.04 1.22 1.31 2o1dA1 SER 300 H 0.04 -0.04 -0.24 -0.55 8.46 7.67 2o1dA1 SER 300 HA 0.03 0.29 0.67 -0.75 4.49 4.73 2o1dA1 SER 300 HB2 0.02 0.04 0.08 -0.04 3.95 4.05 2o1dA1 SER 300 HB3 0.02 0.01 -0.03 -0.04 3.93 3.88 2o1dA1 SER 301 H 0.06 0.14 -0.43 -0.55 8.46 7.67 2o1dA1 SER 301 HA 0.04 0.01 0.38 -0.75 4.49 4.16 2o1dA1 SER 301 HB2 0.08 -0.04 0.05 -0.04 3.95 4.00 2o1dA1 SER 301 HB3 0.09 0.14 -0.19 -0.04 3.93 3.92 2o1dA1 SER 302 H 0.02 0.07 0.15 -0.55 8.46 8.16 2o1dA1 SER 302 HA -0.00 0.24 0.54 -0.75 4.49 4.51 2o1dA1 SER 302 HB2 -0.01 0.05 0.07 -0.04 3.95 4.02 2o1dA1 SER 302 HB3 0.00 0.05 0.07 -0.04 3.93 4.01 2o1dA1 SER 303 H 0.00 -0.11 -0.16 -0.55 8.46 7.65 2o1dA1 SER 303 HA -0.18 0.25 0.76 -0.75 4.49 4.57 2o1dA1 SER 303 HB2 -0.22 -0.03 -0.03 -0.04 3.95 3.62 2o1dA1 SER 303 HB3 -0.05 0.03 -0.01 -0.04 3.93 3.87 2o1dA1 TYR 304 H 0.10 -0.04 -0.17 -0.55 8.29 7.63 2o1dA1 TYR 304 HA 0.01 0.26 0.67 -0.75 4.56 4.75 2o1dA1 TYR 304 HB2 0.05 -0.11 0.10 -0.04 3.06 3.06 2o1dA1 TYR 304 HB3 0.04 0.10 -0.14 -0.04 2.98 2.93 2o1dA1 TYR 304 HD2 0.01 0.01 -0.18 -0.04 7.15 6.95 2o1dA1 TYR 304 HE2 -0.02 -0.01 -0.07 -0.04 6.85 6.70 2o1dA1 PRO 305 HA 0.11 0.06 0.54 -0.51 4.44 4.64 2o1dA1 PRO 305 HB2 0.06 0.14 -0.07 -0.04 2.28 2.37 2o1dA1 PRO 305 HB3 0.05 0.13 -0.09 -0.04 2.02 2.08 2o1dA1 PRO 305 HG2 0.03 -0.02 -0.02 -0.04 2.03 1.98 2o1dA1 PRO 305 HG3 0.02 0.10 -0.08 -0.04 2.03 2.04 2o1dA1 PRO 305 HD2 0.03 0.08 -0.07 -0.04 3.68 3.67 2o1dA1 PRO 305 HD3 0.00 0.12 -0.54 -0.04 3.65 3.19 2o1dA1 PHE 306 H 0.22 0.28 0.12 -0.55 8.34 8.40 2o1dA1 PHE 306 HA -0.02 0.21 0.44 -0.75 4.62 4.50 2o1dA1 PHE 306 HB2 -0.01 -0.14 -0.07 -0.04 3.15 2.88 2o1dA1 PHE 306 HB3 -0.02 -0.13 -0.24 -0.04 3.06 2.64 2o1dA1 PHE 306 HD2 -0.04 0.02 -0.34 -0.04 7.28 6.87 2o1dA1 PHE 306 HE2 -0.13 0.08 -0.29 -0.04 7.38 7.00 2o1dA1 PHE 306 HZ -0.27 -0.06 -0.17 -0.04 7.32 6.79 2o1dA1 SER 307 H -0.57 0.70 0.38 -0.55 8.46 8.43 2o1dA1 SER 307 HA -0.06 0.13 0.87 -0.75 4.49 4.67 2o1dA1 SER 307 HB2 -0.07 0.02 -0.01 -0.04 3.95 3.85 2o1dA1 SER 307 HB3 -0.25 0.06 0.09 -0.04 3.93 3.79 2o1dA1 TYR 308 H -0.85 0.43 0.30 -0.55 8.29 7.62 2o1dA1 TYR 308 HA -0.46 0.22 0.30 -0.75 4.56 3.86 2o1dA1 TYR 308 HB2 -0.18 -0.04 -0.34 -0.04 3.06 2.46 2o1dA1 TYR 308 HB3 -0.19 0.17 -0.40 -0.04 2.98 2.52 2o1dA1 TYR 308 HD2 -0.11 0.05 -0.62 -0.04 7.15 6.43 2o1dA1 TYR 308 HE2 0.07 0.02 -0.25 -0.04 6.85 6.65 2o1dA1 ALA 309 H -0.10 0.68 0.12 -0.55 8.40 8.56 2o1dA1 ALA 309 HA -0.32 0.11 0.75 -0.75 4.34 4.13 2o1dA1 ALA 309 HB3 -0.88 0.01 0.07 -0.04 1.41 0.57 2o1dA1 TRP 310 H -0.26 0.27 0.16 -0.55 7.97 7.60 2o1dA1 TRP 310 HA 0.04 0.31 0.69 -0.75 4.62 4.91 2o1dA1 TRP 310 HB2 -0.00 -0.07 0.00 -0.04 3.23 3.12 2o1dA1 TRP 310 HB3 0.03 0.06 -0.06 -0.04 3.23 3.22 2o1dA1 TRP 310 HD1 -0.09 0.27 -0.46 -0.04 7.22 6.90 2o1dA1 TRP 310 HE1 -0.01 0.03 -0.09 -0.04 10.20 10.09 2o1dA1 TRP 310 HE3 -0.02 0.01 -0.12 -0.04 7.59 7.42 2o1dA1 TRP 310 HZ2 0.04 -0.04 -0.10 -0.04 7.44 7.30 2o1dA1 TRP 310 HZ3 -0.02 -0.10 -0.09 -0.04 7.13 6.88 2o1dA1 TRP 310 HH2 0.01 -0.09 -0.08 -0.04 7.19 6.98 2o1dA1 GLY 311 H 0.32 0.82 0.41 -0.55 8.43 9.43 2o1dA1 GLY 311 HA2 -0.03 0.22 0.90 -0.51 4.01 4.58 2o1dA1 GLY 311 HA3 0.30 -0.09 0.43 -0.51 4.01 4.14 2o1dA1 ILE 312 H 0.03 0.70 0.24 -0.55 8.25 8.67 2o1dA1 ILE 312 HA 0.10 0.08 0.71 -0.75 4.18 4.31 2o1dA1 ILE 312 HB 0.00 -0.06 0.24 -0.04 1.89 2.04 2o1dA1 ILE 312 HG12 0.05 0.05 -0.13 -0.04 1.49 1.42 2o1dA1 ILE 312 HG13 0.06 0.01 -0.14 -0.04 1.21 1.09 2o1dA1 ILE 312 HG23 0.04 0.00 -0.06 -0.04 0.93 0.88 2o1dA1 ILE 312 HD13 0.17 -0.02 -0.24 -0.04 0.88 0.75 2o1dA1 GLY 313 H 0.07 0.50 0.22 -0.55 8.43 8.68 2o1dA1 GLY 313 HA2 0.15 0.00 0.52 -0.51 4.01 4.18 2o1dA1 GLY 313 HA3 -0.07 0.08 0.28 -0.51 4.01 3.80 2o1dA1 LYS 314 H -0.15 0.07 0.08 -0.55 8.42 7.88 2o1dA1 LYS 314 HA -0.14 -0.03 0.02 -0.75 4.32 3.42 2o1dA1 LYS 314 HB2 -0.15 0.12 0.19 -0.04 1.87 1.99 2o1dA1 LYS 314 HB3 -0.38 -0.09 0.16 -0.04 1.79 1.44 2o1dA1 LYS 314 HG2 -0.47 0.03 -0.24 -0.04 1.46 0.75 2o1dA1 LYS 314 HG3 -0.15 -0.02 0.09 -0.04 1.46 1.34 2o1dA1 LYS 314 HD2 -0.06 -0.07 0.05 -0.04 1.69 1.56 2o1dA1 LYS 314 HD3 -0.12 0.04 0.06 -0.04 1.68 1.62 2o1dA1 LYS 314 HE2 0.03 0.00 -0.01 -0.04 2.99 2.97 2o1dA1 LYS 314 HE3 0.00 -0.04 0.00 -0.04 2.99 2.91 2o1dA1 SER 315 H -0.13 0.65 0.17 -0.55 8.46 8.61 2o1dA1 SER 315 HA -0.07 0.07 0.43 -0.75 4.49 4.16 2o1dA1 SER 315 HB2 -0.18 -0.05 -0.07 -0.04 3.95 3.61 2o1dA1 SER 315 HB3 -0.47 0.04 0.02 -0.04 3.93 3.48 2o1dA1 SER 316 H -0.08 0.43 -0.27 -0.55 8.46 7.99 2o1dA1 SER 316 HA -0.00 0.00 0.04 -0.75 4.49 3.77 2o1dA1 SER 316 HB2 0.06 -0.07 -0.04 -0.04 3.95 3.85 2o1dA1 SER 316 HB3 -0.01 0.16 -0.23 -0.04 3.93 3.80 2o1dA1 LYS 317 H 0.09 0.48 -0.00 -0.55 8.42 8.44 2o1dA1 LYS 317 HA 0.20 0.14 0.81 -0.75 4.32 4.72 2o1dA1 LYS 317 HB2 0.03 0.08 -0.11 -0.04 1.87 1.83 2o1dA1 LYS 317 HB3 0.33 -0.07 0.17 -0.04 1.79 2.18 2o1dA1 LYS 317 HG2 0.18 0.12 0.03 -0.04 1.46 1.75 2o1dA1 LYS 317 HG3 0.11 0.13 -0.39 -0.04 1.46 1.26 2o1dA1 LYS 317 HD2 0.02 0.27 -0.09 -0.04 1.69 1.85 2o1dA1 LYS 317 HD3 -0.01 -0.09 -0.04 -0.04 1.68 1.50 2o1dA1 LYS 317 HE2 0.04 -0.08 -0.00 -0.04 2.99 2.91 2o1dA1 LYS 317 HE3 0.08 -0.05 -0.07 -0.04 2.99 2.91 2o1dA1 ILE 318 H 0.16 0.16 -0.09 -0.55 8.25 7.92 2o1dA1 ILE 318 HA 0.28 0.20 0.62 -0.75 4.18 4.52 2o1dA1 ILE 318 HB 0.03 -0.03 0.10 -0.04 1.89 1.95 2o1dA1 ILE 318 HG12 0.08 0.04 0.00 -0.04 1.49 1.57 2o1dA1 ILE 318 HG13 0.10 -0.07 0.01 -0.04 1.21 1.22 2o1dA1 ILE 318 HG23 -0.26 0.00 -0.15 -0.04 0.93 0.48 2o1dA1 ILE 318 HD13 0.05 0.00 -0.08 -0.04 0.88 0.82 2o1dA1 TYR 319 H 0.39 0.77 0.41 -0.55 8.29 9.31 2o1dA1 TYR 319 HA -0.00 0.10 0.95 -0.75 4.56 4.86 2o1dA1 TYR 319 HB2 -0.56 0.08 -0.03 -0.04 3.06 2.51 2o1dA1 TYR 319 HB3 -0.32 -0.09 0.21 -0.04 2.98 2.74 2o1dA1 TYR 319 HD2 -0.61 -0.01 -0.11 -0.04 7.15 6.37 2o1dA1 TYR 319 HE2 -0.75 0.00 0.02 -0.04 6.85 6.08 2o1dA1 ALA 320 H -0.10 0.88 0.30 -0.55 8.40 8.93 2o1dA1 ALA 320 HA -0.03 0.39 1.13 -0.75 4.34 5.08 2o1dA1 ALA 320 HB3 -0.59 -0.04 0.12 -0.04 1.41 0.87 2o1dA1 GLN 321 H 0.15 0.65 0.43 -0.55 8.47 9.15 2o1dA1 GLN 321 HA 0.11 0.16 1.11 -0.75 4.36 4.99 2o1dA1 GLN 321 HB2 0.19 0.00 0.10 -0.04 2.15 2.40 2o1dA1 GLN 321 HB3 0.09 0.01 -0.03 -0.04 2.02 2.05 2o1dA1 GLN 321 HG2 0.17 -0.03 -0.01 -0.04 2.40 2.49 2o1dA1 GLN 321 HG3 0.23 -0.01 -0.40 -0.04 2.39 2.17 2o1dA1 GLN 321 HE21 -0.08 0.04 -0.05 -0.04 6.97 6.85 2o1dA1 GLN 321 HE22 0.09 -0.04 -0.03 -0.04 7.69 7.67 2o1dA1 ASN 322 H 0.11 0.70 0.32 -0.55 8.53 9.12 2o1dA1 ASN 322 HA 0.11 0.21 0.42 -0.75 4.76 4.74 2o1dA1 ASN 322 HB2 0.11 0.06 -0.12 -0.04 2.88 2.89 2o1dA1 ASN 322 HB3 0.10 -0.02 0.18 -0.04 2.79 3.01 2o1dA1 ASN 322 HD21 0.05 -0.04 0.02 -0.04 7.03 7.02 2o1dA1 ASN 322 HD22 0.07 0.57 0.12 -0.04 7.74 8.45 2o1dA1 ASN 323 H 0.24 0.05 -0.16 -0.55 8.53 8.12 2o1dA1 ASN 323 HA 0.26 0.19 0.94 -0.75 4.76 5.40 2o1dA1 ASN 323 HB2 0.61 -0.08 -0.02 -0.04 2.88 3.35 2o1dA1 ASN 323 HB3 0.66 0.11 -0.02 -0.04 2.79 3.49 2o1dA1 ASN 323 HD21 0.13 0.54 0.02 -0.04 7.03 7.68 2o1dA1 ASN 323 HD22 0.29 -0.13 -0.16 -0.04 7.74 7.71 2o1dA1 VAL 324 H 0.32 0.73 0.34 -0.55 8.24 9.08 2o1dA1 VAL 324 HA 0.15 0.15 1.08 -0.75 4.13 4.75 2o1dA1 VAL 324 HB 0.37 -0.00 0.14 -0.04 2.12 2.59 2o1dA1 VAL 324 HG13 0.26 -0.02 -0.13 -0.04 0.97 1.04 2o1dA1 VAL 324 HG23 0.13 0.02 -0.12 -0.04 0.95 0.94 2o1dA1 ILE 325 H 0.02 0.86 0.41 -0.55 8.25 9.00 2o1dA1 ILE 325 HA -0.06 0.23 1.08 -0.75 4.18 4.68 2o1dA1 ILE 325 HB -0.20 -0.03 0.15 -0.04 1.89 1.77 2o1dA1 ILE 325 HG12 -0.48 0.06 -0.12 -0.04 1.49 0.90 2o1dA1 ILE 325 HG13 -0.14 -0.11 -0.39 -0.04 1.21 0.53 2o1dA1 ILE 325 HG23 -0.35 -0.01 -0.16 -0.04 0.93 0.37 2o1dA1 ILE 325 HD13 -0.75 0.00 -0.09 -0.04 0.88 -0.00 2o1dA1 ASP 326 H -0.22 0.99 0.33 -0.55 8.40 8.96 2o1dA1 ASP 326 HA -0.06 -0.00 0.98 -0.75 4.63 4.79 2o1dA1 ASP 326 HB2 -0.06 0.10 0.26 -0.04 2.71 2.97 2o1dA1 ASP 326 HB3 0.02 0.01 0.16 -0.04 2.70 2.85 2o1dA1 VAL 327 H -0.18 0.20 -0.09 -0.55 8.24 7.62 2o1dA1 VAL 327 HA -0.19 0.40 0.86 -0.75 4.13 4.45 2o1dA1 VAL 327 HB -0.50 -0.03 -0.01 -0.04 2.12 1.54 2o1dA1 VAL 327 HG13 -0.34 0.04 -0.22 -0.04 0.97 0.41 2o1dA1 VAL 327 HG23 -1.04 -0.02 -0.34 -0.04 0.95 -0.49 2o1dA1 PRO 328 HA -0.05 0.00 0.44 -0.51 4.44 4.32 2o1dA1 PRO 328 HB2 -0.02 -0.01 0.11 -0.04 2.28 2.32 2o1dA1 PRO 328 HB3 -0.02 0.05 0.11 -0.04 2.02 2.12 2o1dA1 PRO 328 HG2 -0.01 0.04 0.10 -0.04 2.03 2.12 2o1dA1 PRO 328 HG3 -0.02 0.04 0.08 -0.04 2.03 2.09 2o1dA1 PRO 328 HD2 -0.05 0.13 0.34 -0.04 3.68 4.05 2o1dA1 PRO 328 HD3 -0.06 0.19 0.09 -0.04 3.65 3.83 2o1dA1 GLY 329 H -0.04 0.14 0.18 -0.55 8.43 8.16 2o1dA1 GLY 329 HA2 -0.03 0.01 0.33 -0.51 4.01 3.81 2o1dA1 GLY 329 HA3 -0.02 0.07 0.33 -0.51 4.01 3.88 2o1dA1 LEU 330 H -0.08 0.36 -0.48 -0.55 8.37 7.62 2o1dA1 LEU 330 HA -0.04 0.03 0.40 -0.75 4.35 3.99 2o1dA1 LEU 330 HB2 -0.17 0.02 -0.06 -0.04 1.64 1.39 2o1dA1 LEU 330 HB3 -0.16 -0.06 -0.04 -0.04 1.64 1.34 2o1dA1 LEU 330 HG -0.05 0.10 -0.21 -0.04 1.64 1.44 2o1dA1 LEU 330 HD13 0.09 0.05 -0.13 -0.04 0.93 0.90 2o1dA1 LEU 330 HD23 -0.29 -0.02 -0.23 -0.04 0.89 0.30 2o1dA1 SER 331 H -0.03 0.12 0.16 -0.55 8.46 8.17 2o1dA1 SER 331 HA -0.04 0.17 0.69 -0.75 4.49 4.56 2o1dA1 SER 331 HB2 -0.03 -0.04 0.15 -0.04 3.95 3.99 2o1dA1 SER 331 HB3 -0.02 0.14 0.13 -0.04 3.93 4.14 2o1dA1 ALA 332 H -0.04 0.19 0.12 -0.55 8.40 8.12 2o1dA1 ALA 332 HA -0.07 0.08 0.36 -0.75 4.34 3.95 2o1dA1 ALA 332 HB3 -0.04 0.01 0.04 -0.04 1.41 1.38 2o1dA1 ALA 333 H -0.04 0.07 -0.16 -0.55 8.40 7.72 2o1dA1 ALA 333 HA -0.04 0.10 0.27 -0.75 4.34 3.92 2o1dA1 ALA 333 HB3 -0.04 0.03 0.05 -0.04 1.41 1.42 2o1dA1 LYS 334 H -0.04 0.05 -0.37 -0.55 8.42 7.50 2o1dA1 LYS 334 HA -0.03 0.24 0.36 -0.75 4.32 4.14 2o1dA1 LYS 334 HB2 -0.00 -0.10 0.08 -0.04 1.87 1.82 2o1dA1 LYS 334 HB3 0.04 0.12 0.13 -0.04 1.79 2.04 2o1dA1 LYS 334 HG2 -0.02 -0.12 0.00 -0.04 1.46 1.28 2o1dA1 LYS 334 HG3 -0.00 0.00 0.05 -0.04 1.46 1.46 2o1dA1 LYS 334 HD2 -0.01 0.08 0.04 -0.04 1.69 1.76 2o1dA1 LYS 334 HD3 -0.04 0.07 -0.06 -0.04 1.68 1.61 2o1dA1 LYS 334 HE2 -0.04 0.02 0.00 -0.04 2.99 2.93 2o1dA1 LYS 334 HE3 -0.03 -0.04 -0.01 -0.04 2.99 2.86 2o1dA1 THR 335 H -0.08 0.30 -0.55 -0.55 8.28 7.41 2o1dA1 THR 335 HA -0.02 0.03 0.44 -0.75 4.39 4.08 2o1dA1 THR 335 HB -0.49 -0.12 0.00 -0.04 4.32 3.67 2o1dA1 THR 335 HG23 -0.20 0.01 -0.05 -0.04 1.22 0.93 2o1dA1 ILE 336 H -0.08 0.42 -0.22 -0.55 8.25 7.83 2o1dA1 ILE 336 HA -0.02 0.06 0.92 -0.75 4.18 4.39 2o1dA1 ILE 336 HB 0.07 0.10 0.04 -0.04 1.89 2.06 2o1dA1 ILE 336 HG12 -0.04 0.15 0.00 -0.04 1.49 1.56 2o1dA1 ILE 336 HG13 -0.07 -0.01 -0.37 -0.04 1.21 0.72 2o1dA1 ILE 336 HG23 0.04 -0.06 -0.24 -0.04 0.93 0.63 2o1dA1 ILE 336 HD13 0.05 -0.03 -0.19 -0.04 0.88 0.67 2o1dA1 SER 337 H -0.32 0.56 0.27 -0.55 8.46 8.43 2o1dA1 SER 337 HA -0.38 0.20 0.79 -0.75 4.49 4.34 2o1dA1 SER 337 HB2 -0.73 0.08 -0.12 -0.04 3.95 3.13 2o1dA1 SER 337 HB3 -1.47 -0.11 0.01 -0.04 3.93 2.33 2o1dA1 VAL 338 H -0.37 0.23 0.09 -0.55 8.24 7.63 2o1dA1 VAL 338 HA -0.19 0.14 0.91 -0.75 4.13 4.24 2o1dA1 VAL 338 HB -0.16 -0.03 0.12 -0.04 2.12 2.01 2o1dA1 VAL 338 HG13 -0.06 0.00 -0.04 -0.04 0.97 0.84 2o1dA1 VAL 338 HG23 -0.08 0.00 -0.11 -0.04 0.95 0.72 2o1dA1 PHE 339 H 0.05 0.74 0.28 -0.55 8.34 8.85 2o1dA1 PHE 339 HA -0.08 0.13 0.80 -0.75 4.62 4.72 2o1dA1 PHE 339 HB2 -0.09 -0.03 0.06 -0.04 3.15 3.05 2o1dA1 PHE 339 HB3 -0.07 -0.04 0.10 -0.04 3.06 3.00 2o1dA1 PHE 339 HD2 -0.10 0.03 -0.30 -0.04 7.28 6.87 2o1dA1 PHE 339 HE2 -0.19 -0.05 -0.10 -0.04 7.38 7.00 2o1dA1 PHE 339 HZ -0.20 -0.01 -0.13 -0.04 7.32 6.93 2o1dA1 SER 340 H 0.10 0.10 0.15 -0.55 8.46 8.26 2o1dA1 SER 340 HA 0.00 0.09 0.46 -0.75 4.49 4.28 2o1dA1 SER 340 HB2 0.00 0.02 0.07 -0.04 3.95 4.01 2o1dA1 SER 340 HB3 0.01 0.05 0.14 -0.04 3.93 4.09 2o1dA1 GLY 341 H -0.01 0.18 0.15 -0.55 8.43 8.21 2o1dA1 GLY 341 HA2 -0.03 0.03 0.37 -0.51 4.01 3.88 2o1dA1 GLY 341 HA3 -0.06 0.08 0.75 -0.51 4.01 4.28 2o1dA1 GLY 342 H -0.00 0.56 -0.22 -0.55 8.43 8.22 2o1dA1 GLY 342 HA2 -0.01 0.01 0.76 -0.51 4.01 4.25 2o1dA1 GLY 342 HA3 0.01 0.23 0.17 -0.51 4.01 3.91 2o1dA1 THR 343 H 0.01 0.13 0.23 -0.55 8.28 8.10 2o1dA1 THR 343 HA 0.00 0.26 0.95 -0.75 4.39 4.85 2o1dA1 THR 343 HB 0.01 -0.02 0.14 -0.04 4.32 4.41 2o1dA1 THR 343 HG23 -0.00 0.00 -0.27 -0.04 1.22 0.91 2o1dA1 ALA 344 H 0.03 0.16 0.18 -0.55 8.40 8.22 2o1dA1 ALA 344 HA 0.04 0.18 0.98 -0.75 4.34 4.78 2o1dA1 ALA 344 HB3 0.07 0.05 -0.07 -0.04 1.41 1.41 2o1dA1 LEU 345 H 0.05 0.77 0.07 -0.55 8.37 8.71 2o1dA1 LEU 345 HA 0.08 0.15 0.50 -0.75 4.35 4.32 2o1dA1 LEU 345 HB2 0.08 0.09 -0.14 -0.04 1.64 1.63 2o1dA1 LEU 345 HB3 0.05 -0.06 -0.10 -0.04 1.64 1.49 2o1dA1 LEU 345 HG 0.04 -0.11 -0.55 -0.04 1.64 0.98 2o1dA1 LEU 345 HD13 -0.02 0.05 -0.10 -0.04 0.93 0.82 2o1dA1 LEU 345 HD23 0.25 -0.03 -0.24 -0.04 0.89 0.83 2o1dA1 TYR 346 H 0.10 0.56 0.17 -0.55 8.29 8.57 2o1dA1 TYR 346 HA -0.14 0.18 0.96 -0.75 4.56 4.80 2o1dA1 TYR 346 HB2 -0.21 -0.01 0.16 -0.04 3.06 2.96 2o1dA1 TYR 346 HB3 -0.50 -0.02 0.33 -0.04 2.98 2.74 2o1dA1 TYR 346 HD2 -0.55 0.03 -0.04 -0.04 7.15 6.55 2o1dA1 TYR 346 HE2 -0.26 -0.03 -0.02 -0.04 6.85 6.50 2o1dA1 ASP 347 H -0.34 0.24 0.15 -0.55 8.40 7.90 2o1dA1 ASP 347 HA -0.10 0.44 0.64 -0.75 4.63 4.85 2o1dA1 ASP 347 HB2 0.18 0.01 0.08 -0.04 2.71 2.93 2o1dA1 ASP 347 HB3 0.08 0.08 -0.08 -0.04 2.70 2.74 2o1dA1 SER 348 H -0.04 0.68 0.39 -0.55 8.46 8.94 2o1dA1 SER 348 HA -0.11 0.16 0.92 -0.75 4.49 4.71 2o1dA1 SER 348 HB2 -0.05 -0.01 0.18 -0.04 3.95 4.03 2o1dA1 SER 348 HB3 -0.25 0.07 0.06 -0.04 3.93 3.77 2o1dA1 GLY 349 H -0.00 0.23 0.21 -0.55 8.43 8.33 2o1dA1 GLY 349 HA2 0.03 0.08 0.37 -0.51 4.01 3.98 2o1dA1 GLY 349 HA3 0.05 0.01 0.46 -0.51 4.01 4.02 2o1dA1 THR 350 H 0.06 0.07 -0.28 -0.55 8.28 7.59 2o1dA1 THR 350 HA 0.15 0.23 0.56 -0.75 4.39 4.58 2o1dA1 THR 350 HB 0.06 0.04 0.05 -0.04 4.32 4.42 2o1dA1 THR 350 HG23 0.00 0.01 -0.18 -0.04 1.22 1.01 2o1dA1 LEU 351 H 0.09 0.63 0.43 -0.55 8.37 8.97 2o1dA1 LEU 351 HA 0.02 0.22 0.74 -0.75 4.35 4.58 2o1dA1 LEU 351 HB2 0.08 0.04 0.17 -0.04 1.64 1.90 2o1dA1 LEU 351 HB3 0.05 -0.12 -0.13 -0.04 1.64 1.40 2o1dA1 LEU 351 HG 0.05 0.05 -0.17 -0.04 1.64 1.54 2o1dA1 LEU 351 HD13 0.05 0.00 -0.20 -0.04 0.93 0.74 2o1dA1 LEU 351 HD23 0.03 0.00 -0.42 -0.04 0.89 0.46 2o1dA1 LEU 352 H -0.01 0.86 0.19 -0.55 8.37 8.86 2o1dA1 LEU 352 HA -0.06 0.30 1.09 -0.75 4.35 4.92 2o1dA1 LEU 352 HB2 -0.10 -0.04 -0.08 -0.04 1.64 1.38 2o1dA1 LEU 352 HB3 -0.05 0.02 0.09 -0.04 1.64 1.66 2o1dA1 LEU 352 HG -0.08 0.03 -0.27 -0.04 1.64 1.28 2o1dA1 LEU 352 HD13 -0.17 0.03 -0.07 -0.04 0.93 0.67 2o1dA1 LEU 352 HD23 -0.09 0.03 -0.36 -0.04 0.89 0.42 2o1dA1 ASN 353 H -0.03 0.66 0.30 -0.55 8.53 8.91 2o1dA1 ASN 353 HA -0.00 0.02 0.35 -0.75 4.76 4.37 2o1dA1 ASN 353 HB2 -0.03 0.14 -0.03 -0.04 2.88 2.91 2o1dA1 ASN 353 HB3 -0.02 -0.00 0.17 -0.04 2.79 2.89 2o1dA1 ASN 353 HD21 -0.09 0.39 -0.02 -0.04 7.03 7.27 2o1dA1 ASN 353 HD22 -0.05 0.03 -0.06 -0.04 7.74 7.62 2o1dA1 GLY 354 H 0.02 0.06 -0.39 -0.55 8.43 7.57 2o1dA1 GLY 354 HA2 0.03 -0.02 0.20 -0.51 4.01 3.70 2o1dA1 GLY 354 HA3 0.01 0.14 0.44 -0.51 4.01 4.09 2o1dA1 THR 355 H -0.00 0.47 -0.44 -0.55 8.28 7.75 2o1dA1 THR 355 HA 0.00 0.13 0.89 -0.75 4.39 4.66 2o1dA1 THR 355 HB -0.01 0.12 0.06 -0.04 4.32 4.44 2o1dA1 THR 355 HG23 -0.01 0.01 -0.11 -0.04 1.22 1.07 2o1dA1 GLN 356 H 0.00 0.14 0.15 -0.55 8.47 8.22 2o1dA1 GLN 356 HA 0.01 0.21 0.59 -0.75 4.36 4.42 2o1dA1 GLN 356 HB2 0.00 -0.01 0.17 -0.04 2.15 2.27 2o1dA1 GLN 356 HB3 0.01 -0.01 0.07 -0.04 2.02 2.05 2o1dA1 GLN 356 HG2 0.02 0.00 -0.03 -0.04 2.40 2.35 2o1dA1 GLN 356 HG3 0.01 -0.00 0.06 -0.04 2.39 2.42 2o1dA1 GLN 356 HE21 0.01 0.01 0.03 -0.04 6.97 6.98 2o1dA1 GLN 356 HE22 0.02 -0.01 0.01 -0.04 7.69 7.67 2o1dA1 ILE 357 H 0.00 0.71 0.38 -0.55 8.25 8.79 2o1dA1 ILE 357 HA -0.01 0.21 0.88 -0.75 4.18 4.51 2o1dA1 ILE 357 HB -0.03 -0.11 0.02 -0.04 1.89 1.73 2o1dA1 ILE 357 HG12 -0.03 0.03 -0.17 -0.04 1.49 1.28 2o1dA1 ILE 357 HG13 -0.01 -0.09 -0.23 -0.04 1.21 0.84 2o1dA1 ILE 357 HG23 -0.03 0.06 -0.16 -0.04 0.93 0.75 2o1dA1 ILE 357 HD13 -0.08 -0.01 -0.13 -0.04 0.88 0.62 2o1dA1 ASN 358 H -0.02 0.23 0.04 -0.55 8.53 8.23 2o1dA1 ASN 358 HA -0.02 0.17 0.84 -0.75 4.76 5.00 2o1dA1 ASN 358 HB2 -0.03 0.09 0.01 -0.04 2.88 2.90 2o1dA1 ASN 358 HB3 -0.03 0.01 0.21 -0.04 2.79 2.95 2o1dA1 ASN 358 HD21 -0.07 0.06 0.08 -0.04 7.03 7.06 2o1dA1 ASN 358 HD22 -0.05 0.05 0.06 -0.04 7.74 7.76 2o1dA1 ALA 359 H 0.04 0.21 -0.04 -0.55 8.40 8.07 2o1dA1 ALA 359 HA -0.01 0.14 0.24 -0.75 4.34 3.95 2o1dA1 ALA 359 HB3 0.08 0.03 -0.03 -0.04 1.41 1.45 2o1dA1 SER 360 H 0.03 0.04 -0.18 -0.55 8.46 7.81 2o1dA1 SER 360 HA 0.03 0.12 0.32 -0.75 4.49 4.21 2o1dA1 SER 360 HB2 -0.00 -0.02 -0.02 -0.04 3.95 3.87 2o1dA1 SER 360 HB3 -0.04 -0.13 0.07 -0.04 3.93 3.79 2o1dA1 ALA 361 H -0.02 0.03 -0.15 -0.55 8.40 7.71 2o1dA1 ALA 361 HA -0.02 0.16 0.46 -0.75 4.34 4.19 2o1dA1 ALA 361 HB3 -0.03 0.01 0.09 -0.04 1.41 1.45 2o1dA1 ALA 362 H -0.02 0.44 -0.24 -0.55 8.40 8.04 2o1dA1 ALA 362 HA -0.02 0.03 0.39 -0.75 4.34 3.98 2o1dA1 ALA 362 HB3 -0.02 -0.01 -0.02 -0.04 1.41 1.31 2o1dA1 ASN 363 H -0.01 0.25 -0.67 -0.55 8.53 7.55 2o1dA1 ASN 363 HA -0.03 0.16 0.86 -0.75 4.76 4.99 2o1dA1 ASN 363 HB2 -0.01 0.07 0.07 -0.04 2.88 2.96 2o1dA1 ASN 363 HB3 -0.03 -0.04 0.12 -0.04 2.79 2.79 2o1dA1 ASN 363 HD21 -0.04 0.25 0.15 -0.04 7.03 7.34 2o1dA1 ASN 363 HD22 -0.02 0.49 0.03 -0.04 7.74 8.20 2o1dA1 GLY 364 H -0.02 0.38 -0.17 -0.55 8.43 8.08 2o1dA1 GLY 364 HA2 -0.01 -0.00 0.33 -0.51 4.01 3.82 2o1dA1 GLY 364 HA3 -0.02 0.00 0.36 -0.51 4.01 3.84 2o1dA1 LEU 365 H -0.01 0.31 -0.31 -0.55 8.37 7.82 2o1dA1 LEU 365 HA 0.00 0.17 0.54 -0.75 4.35 4.31 2o1dA1 LEU 365 HB2 0.01 -0.09 -0.06 -0.04 1.64 1.46 2o1dA1 LEU 365 HB3 0.02 -0.05 -0.22 -0.04 1.64 1.35 2o1dA1 LEU 365 HG -0.01 0.06 -0.20 -0.04 1.64 1.45 2o1dA1 LEU 365 HD13 0.02 -0.03 -0.24 -0.04 0.93 0.64 2o1dA1 LEU 365 HD23 -0.01 -0.04 -0.25 -0.04 0.89 0.56 2o1dA1 SER 366 H 0.02 0.71 0.42 -0.55 8.46 9.06 2o1dA1 SER 366 HA 0.01 0.03 0.65 -0.75 4.49 4.42 2o1dA1 SER 366 HB2 0.02 0.04 0.19 -0.04 3.95 4.16 2o1dA1 SER 366 HB3 0.03 0.07 0.19 -0.04 3.93 4.19 2o1dA1 SER 367 H 0.01 0.11 0.17 -0.55 8.46 8.20 2o1dA1 SER 367 HA -0.02 0.37 0.70 -0.75 4.49 4.79 2o1dA1 SER 367 HB2 -0.11 -0.04 0.19 -0.04 3.95 3.94 2o1dA1 SER 367 HB3 -0.06 0.01 0.10 -0.04 3.93 3.94 2o1dA1 SER 368 H 0.06 0.08 -0.14 -0.55 8.46 7.90 2o1dA1 SER 368 HA 0.15 0.17 0.92 -0.75 4.49 4.97 2o1dA1 SER 368 HB2 0.08 0.01 0.02 -0.04 3.95 4.01 2o1dA1 SER 368 HB3 0.07 0.04 0.06 -0.04 3.93 4.07 2o1dA1 VAL 369 H 0.16 0.18 0.10 -0.55 8.24 8.12 2o1dA1 VAL 369 HA 0.18 0.25 0.76 -0.75 4.13 4.57 2o1dA1 VAL 369 HB 0.42 0.05 0.06 -0.04 2.12 2.60 2o1dA1 VAL 369 HG13 0.17 0.04 -0.35 -0.04 0.97 0.79 2o1dA1 VAL 369 HG23 0.22 0.02 -0.16 -0.04 0.95 0.98 2o1dA1 GLY 370 H 0.16 -0.02 -0.05 -0.55 8.43 7.98 2o1dA1 GLY 370 HA2 0.14 -0.02 0.24 -0.51 4.01 3.87 2o1dA1 GLY 370 HA3 0.18 0.14 0.24 -0.51 4.01 4.06 2o1dA1 TRP 371 H 0.22 0.11 -0.21 -0.55 7.97 7.55 2o1dA1 TRP 371 HA -0.00 0.11 0.48 -0.75 4.62 4.44 2o1dA1 TRP 371 HB2 0.03 -0.03 0.05 -0.04 3.23 3.23 2o1dA1 TRP 371 HB3 0.06 0.15 -0.19 -0.04 3.23 3.20 2o1dA1 TRP 371 HD1 0.09 0.19 -0.27 -0.04 7.22 7.19 2o1dA1 TRP 371 HE1 0.15 0.49 -0.01 -0.04 10.20 10.79 2o1dA1 TRP 371 HE3 -0.00 0.04 -0.29 -0.04 7.59 7.30 2o1dA1 TRP 371 HZ2 0.23 0.03 -0.51 -0.04 7.44 7.15 2o1dA1 TRP 371 HZ3 -0.32 -0.10 -0.09 -0.04 7.13 6.59 2o1dA1 TRP 371 HH2 0.29 -0.07 -0.17 -0.04 7.19 7.20 2o1dA1 THR 372 H -0.02 0.29 0.09 -0.55 8.28 8.09 2o1dA1 THR 372 HA -1.38 0.17 0.60 -0.75 4.39 3.03 2o1dA1 THR 372 HB -0.50 0.05 0.04 -0.04 4.32 3.87 2o1dA1 THR 372 HG23 -0.16 -0.00 -0.20 -0.04 1.22 0.82 2o1dA1 PRO 373 HA -0.25 0.00 0.40 -0.51 4.44 4.09 2o1dA1 PRO 373 HB2 -0.74 0.06 -0.09 -0.04 2.28 1.47 2o1dA1 PRO 373 HB3 -0.52 0.02 0.02 -0.04 2.02 1.49 2o1dA1 PRO 373 HG2 -2.18 0.04 0.01 -0.04 2.03 -0.13 2o1dA1 PRO 373 HG3 -1.96 0.06 -0.01 -0.04 2.03 0.08 2o1dA1 PRO 373 HD2 -1.67 0.11 0.11 -0.04 3.68 2.19 2o1dA1 PRO 373 HD3 -2.96 0.15 0.09 -0.04 3.65 0.89 2o1dA1 SER 374 H -0.24 0.07 0.19 -0.55 8.46 7.94 2o1dA1 SER 374 HA -0.15 0.21 0.83 -0.75 4.49 4.63 2o1dA1 SER 374 HB2 -0.11 0.01 0.06 -0.04 3.95 3.87 2o1dA1 SER 374 HB3 -0.09 0.04 0.04 -0.04 3.93 3.88 2o1dA1 LEU 375 H -0.27 -0.03 -0.01 -0.55 8.37 7.52 2o1dA1 LEU 375 HA -0.16 0.22 0.79 -0.75 4.35 4.44 2o1dA1 LEU 375 HB2 -0.26 -0.15 -0.06 -0.04 1.64 1.13 2o1dA1 LEU 375 HB3 -0.07 0.10 -0.24 -0.04 1.64 1.38 2o1dA1 LEU 375 HG -0.12 -0.11 -0.12 -0.04 1.64 1.24 2o1dA1 LEU 375 HD13 0.06 -0.00 -0.20 -0.04 0.93 0.75 2o1dA1 LEU 375 HD23 -0.06 0.05 -0.09 -0.04 0.89 0.75 2o1dA1 HIS 376 H -0.36 0.41 0.15 -0.55 8.41 8.06 2o1dA1 HIS 376 HA 0.02 -0.13 0.49 -0.75 4.63 4.25 2o1dA1 HIS 376 HB2 -0.31 0.00 0.00 -0.04 3.26 2.92 2o1dA1 HIS 376 HB3 0.02 0.01 -0.09 -0.04 3.20 3.10 2o1dA1 HIS 376 HD2 -0.26 -0.06 -0.59 -0.04 6.97 6.02 2o1dA1 HIS 376 HE1 -0.12 -0.08 -0.08 -0.04 7.75 7.42 2o1dA1 GLY 377 H 0.10 0.02 0.01 -0.55 8.43 8.02 2o1dA1 GLY 377 HA2 0.00 0.11 0.57 -0.51 4.01 4.19 2o1dA1 GLY 377 HA3 0.08 -0.01 0.30 -0.51 4.01 3.87 2o1dA1 SER 378 H 0.09 0.07 0.07 -0.55 8.46 8.15 2o1dA1 SER 378 HA 0.08 0.05 0.36 -0.75 4.49 4.23 2o1dA1 SER 378 HB2 0.11 -0.02 0.06 -0.04 3.95 4.06 2o1dA1 SER 378 HB3 0.11 0.03 -0.18 -0.04 3.93 3.84 2o1dA1 ILE 379 H 0.07 0.15 0.11 -0.55 8.25 8.02 2o1dA1 ILE 379 HA 0.15 0.12 0.78 -0.75 4.18 4.48 2o1dA1 ILE 379 HB -0.01 -0.04 0.09 -0.04 1.89 1.88 2o1dA1 ILE 379 HG12 -0.59 0.02 -0.13 -0.04 1.49 0.75 2o1dA1 ILE 379 HG13 -0.16 0.10 -0.11 -0.04 1.21 1.00 2o1dA1 ILE 379 HG23 0.03 0.02 -0.15 -0.04 0.93 0.79 2o1dA1 ILE 379 HD13 -0.42 -0.01 -0.06 -0.04 0.88 0.35 2o1dA1 ASP 380 H 0.21 0.17 0.09 -0.55 8.40 8.31 2o1dA1 ASP 380 HA 0.12 0.04 0.46 -0.75 4.63 4.49 2o1dA1 ASP 380 HB2 0.12 -0.00 0.02 -0.04 2.71 2.81 2o1dA1 ASP 380 HB3 0.13 0.01 -0.02 -0.04 2.70 2.77 2o1dA1 ALA 381 H 0.07 0.13 0.16 -0.55 8.40 8.21 2o1dA1 ALA 381 HA 0.06 0.10 0.63 -0.75 4.34 4.38 2o1dA1 ALA 381 HB3 0.05 0.01 0.13 -0.04 1.41 1.55 2o1dA1 SER 382 H 0.06 0.18 0.19 -0.55 8.46 8.35 2o1dA1 SER 382 HA 0.08 0.17 0.42 -0.75 4.49 4.41 2o1dA1 SER 382 HB2 0.05 -0.06 0.09 -0.04 3.95 4.00 2o1dA1 SER 382 HB3 0.08 0.02 -0.00 -0.04 3.93 3.98 2o1dA1 ALA 383 H 0.04 0.06 -0.31 -0.55 8.40 7.64 2o1dA1 ALA 383 HA 0.03 0.08 0.32 -0.75 4.34 4.02 2o1dA1 ALA 383 HB3 0.03 0.02 0.03 -0.04 1.41 1.44 2o1dA1 ASN 384 H 0.05 0.49 -0.50 -0.55 8.53 8.03 2o1dA1 ASN 384 HA 0.02 0.18 0.84 -0.75 4.76 5.04 2o1dA1 ASN 384 HB2 0.06 0.05 0.05 -0.04 2.88 3.01 2o1dA1 ASN 384 HB3 0.06 -0.00 0.09 -0.04 2.79 2.90 2o1dA1 ASN 384 HD21 0.04 0.03 -0.03 -0.04 7.03 7.03 2o1dA1 ASN 384 HD22 0.05 -0.04 0.02 -0.04 7.74 7.72 2o1dA1 VAL 385 H 0.05 0.41 -0.13 -0.55 8.24 8.01 2o1dA1 VAL 385 HA 0.06 0.05 0.29 -0.75 4.13 3.78 2o1dA1 VAL 385 HB 0.09 0.07 0.12 -0.04 2.12 2.36 2o1dA1 VAL 385 HG13 0.09 0.04 -0.29 -0.04 0.97 0.77 2o1dA1 VAL 385 HG23 0.06 0.11 0.04 -0.04 0.95 1.12 2o1dA1 LYS 386 H -0.06 0.18 -0.14 -0.55 8.42 7.84 2o1dA1 LYS 386 HA -0.70 0.07 0.35 -0.75 4.32 3.28 2o1dA1 LYS 386 HB2 -0.34 -0.00 0.04 -0.04 1.87 1.53 2o1dA1 LYS 386 HB3 -0.19 0.01 0.04 -0.04 1.79 1.61 2o1dA1 LYS 386 HG2 -0.39 0.04 -0.29 -0.04 1.46 0.77 2o1dA1 LYS 386 HG3 -1.38 0.00 -0.03 -0.04 1.46 0.01 2o1dA1 LYS 386 HD2 -0.06 -0.02 -0.05 -0.04 1.69 1.52 2o1dA1 LYS 386 HD3 -0.11 0.01 -0.05 -0.04 1.68 1.49 2o1dA1 LYS 386 HE2 -0.11 0.02 -0.08 -0.04 2.99 2.78 2o1dA1 LYS 386 HE3 0.01 -0.00 -0.05 -0.04 2.99 2.92 2o1dA1 SER 387 H -0.09 0.12 -0.21 -0.55 8.46 7.74 2o1dA1 SER 387 HA -0.09 0.06 0.38 -0.75 4.49 4.09 2o1dA1 SER 387 HB2 -0.01 0.04 0.10 -0.04 3.95 4.04 2o1dA1 SER 387 HB3 -0.01 0.04 -0.04 -0.04 3.93 3.88 2o1dA1 ASN 388 H 0.02 0.50 -0.07 -0.55 8.53 8.43 2o1dA1 ASN 388 HA 0.07 0.03 0.40 -0.75 4.76 4.51 2o1dA1 ASN 388 HB2 0.14 0.04 0.12 -0.04 2.88 3.14 2o1dA1 ASN 388 HB3 0.21 -0.01 0.01 -0.04 2.79 2.96 2o1dA1 ASN 388 HD21 0.11 -0.08 -0.02 -0.04 7.03 7.00 2o1dA1 ASN 388 HD22 0.20 -0.03 -0.07 -0.04 7.74 7.80 2o1dA1 VAL 389 H 0.01 0.59 -0.15 -0.55 8.24 8.14 2o1dA1 VAL 389 HA 0.09 0.06 0.39 -0.75 4.13 3.92 2o1dA1 VAL 389 HB 0.00 0.05 0.10 -0.04 2.12 2.23 2o1dA1 VAL 389 HG13 0.03 0.02 -0.30 -0.04 0.97 0.67 2o1dA1 VAL 389 HG23 0.04 -0.03 0.02 -0.04 0.95 0.94 2o1dA1 ILE 390 H -0.11 0.54 0.03 -0.55 8.25 8.15 2o1dA1 ILE 390 HA -0.15 0.01 0.43 -0.75 4.18 3.72 2o1dA1 ILE 390 HB -0.11 0.05 0.15 -0.04 1.89 1.94 2o1dA1 ILE 390 HG12 -0.06 -0.04 0.02 -0.04 1.49 1.37 2o1dA1 ILE 390 HG13 -0.24 0.04 0.10 -0.04 1.21 1.07 2o1dA1 ILE 390 HG23 -0.07 -0.01 -0.12 -0.04 0.93 0.69 2o1dA1 ILE 390 HD13 -0.12 -0.04 -0.06 -0.04 0.88 0.62 2o1dA1 ASN 391 H -0.02 0.47 -0.20 -0.55 8.53 8.23 2o1dA1 ASN 391 HA -0.02 0.00 0.35 -0.75 4.76 4.35 2o1dA1 ASN 391 HB2 0.02 0.11 0.14 -0.04 2.88 3.11 2o1dA1 ASN 391 HB3 0.02 -0.06 0.01 -0.04 2.79 2.72 2o1dA1 ASN 391 HD21 -0.01 -0.13 -0.02 -0.04 7.03 6.84 2o1dA1 ASN 391 HD22 0.01 -0.03 -0.10 -0.04 7.74 7.57 2o1dA1 GLN 392 H 0.06 0.21 -0.30 -0.55 8.47 7.90 2o1dA1 GLN 392 HA 0.09 0.18 0.84 -0.75 4.36 4.72 2o1dA1 GLN 392 HB2 0.31 0.10 0.12 -0.04 2.15 2.64 2o1dA1 GLN 392 HB3 0.16 -0.11 0.05 -0.04 2.02 2.08 2o1dA1 GLN 392 HG2 0.05 0.02 -0.10 -0.04 2.40 2.33 2o1dA1 GLN 392 HG3 0.09 0.00 -0.07 -0.04 2.39 2.37 2o1dA1 GLN 392 HE21 0.10 -0.09 -0.00 -0.04 6.97 6.94 2o1dA1 GLN 392 HE22 0.10 0.01 0.05 -0.04 7.69 7.81 2o1dA1 ALA 393 H 0.05 0.58 0.15 -0.55 8.40 8.64 2o1dA1 ALA 393 HA 0.09 0.03 0.53 -0.75 4.34 4.24 2o1dA1 ALA 393 HB3 -0.03 0.00 -0.05 -0.04 1.41 1.29 2o1dA1 GLY 394 H 0.04 0.61 0.36 -0.55 8.43 8.88 2o1dA1 GLY 394 HA2 0.08 -0.02 0.21 -0.51 4.01 3.77 2o1dA1 GLY 394 HA3 0.16 0.20 0.63 -0.51 4.01 4.49 2o1dA1 ALA 395 H 0.01 -0.01 -0.21 -0.55 8.40 7.64 2o1dA1 ALA 395 HA -0.00 0.21 0.60 -0.75 4.34 4.39 2o1dA1 ALA 395 HB3 -0.08 0.00 -0.18 -0.04 1.41 1.11 2o1dA1 GLY 396 H -0.03 0.18 0.26 -0.55 8.43 8.29 2o1dA1 GLY 396 HA2 -0.03 0.03 0.45 -0.51 4.01 3.95 2o1dA1 GLY 396 HA3 -0.01 0.10 0.48 -0.51 4.01 4.07 2o1dA1 LYS 397 H 0.00 0.15 -0.28 -0.55 8.42 7.73 2o1dA1 LYS 397 HA -0.01 0.11 0.71 -0.75 4.32 4.37 2o1dA1 LYS 397 HB2 0.10 0.05 -0.00 -0.04 1.87 1.98 2o1dA1 LYS 397 HB3 0.03 -0.04 0.05 -0.04 1.79 1.79 2o1dA1 LYS 397 HG2 0.06 -0.01 -0.43 -0.04 1.46 1.04 2o1dA1 LYS 397 HG3 0.10 0.10 -0.63 -0.04 1.46 0.98 2o1dA1 LYS 397 HD2 0.02 0.25 -0.00 -0.04 1.69 1.92 2o1dA1 LYS 397 HD3 0.01 -0.09 -0.04 -0.04 1.68 1.52 2o1dA1 LYS 397 HE2 -0.00 -0.12 -0.05 -0.04 2.99 2.77 2o1dA1 LYS 397 HE3 0.02 -0.07 -0.14 -0.04 2.99 2.76 2o1dA1 LEU 398 H -0.14 0.06 0.14 -0.55 8.37 7.89 2o1dA1 LEU 398 HA -0.11 0.15 0.46 -0.75 4.35 4.09 2o1dA1 LEU 398 HB2 -0.17 -0.02 -0.04 -0.04 1.64 1.37 2o1dA1 LEU 398 HB3 -0.17 0.01 0.15 -0.04 1.64 1.58 2o1dA1 LEU 398 HG -0.67 -0.00 0.01 -0.04 1.64 0.94 2o1dA1 LEU 398 HD13 -0.43 -0.01 -0.01 -0.04 0.93 0.44 2o1dA1 LEU 398 HD23 -0.51 0.03 -0.03 -0.04 0.89 0.33 2o1dA1 ASN 399 H -0.05 0.23 -0.01 -0.55 8.53 8.15 2o1dA1 ASN 399 HA -0.04 0.32 0.11 -0.75 4.76 4.39 2o1dA1 ASN 399 HB2 -0.02 -0.23 0.09 -0.04 2.88 2.69 2o1dA1 ASN 399 HB3 -0.03 0.21 -0.25 -0.04 2.79 2.67 2o1dA1 ASN 399 HD21 -0.02 0.04 0.00 -0.04 7.03 7.01 2o1dA1 ASN 399 HD22 -0.02 -0.11 0.07 -0.04 7.74 7.64