============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 80 rings ring int. center anis. iso. TYR 23 0.840 -49.577 -4.874 -7.464 -99.200 -91.000 PHE 29 1.000 -57.196 3.695 -2.441 -99.200 -91.000 HIS 30 0.900 -63.058 -1.787 -5.466 -99.200 -91.000 TYR 32 0.840 -58.823 0.775 -11.636 -99.200 -91.000 HIS 40 0.900 -50.265 0.014 -29.272 -99.200 -91.000 HIS 46 0.900 -46.192 -2.770 -29.996 -99.200 -91.000 TYR 50 0.840 -43.418 -12.272 -41.182 -99.200 -91.000 HIS 51 0.900 -44.847 -15.750 -42.950 -99.200 -91.000 TYR 55 0.840 -42.546 -8.969 -35.310 -99.200 -91.000 TYR 66 0.840 -37.851 -8.966 -14.424 -99.200 -91.000 PHE 89 1.000 -20.832 -12.456 -25.377 -99.200 -91.000 HIS 91 0.900 -13.558 -9.721 -31.409 -99.200 -91.000 TYR 97 0.840 -15.125 -11.842 -28.761 -99.200 -91.000 TYR 124 0.840 -20.538 0.896 -2.687 -99.200 -91.000 TYR 127 0.840 -26.763 -3.403 -4.729 -99.200 -91.000 HIS 132 0.900 -33.194 5.811 -8.642 -99.200 -91.000 TYR 133 0.840 -38.976 4.684 -2.370 -99.200 -91.000 HIS 137 0.900 -21.271 5.050 -0.380 -99.200 -91.000 PHE 144 1.000 -21.545 -0.448 -13.297 -99.200 -91.000 PHE 147 1.000 -20.148 1.262 -7.770 -99.200 -91.000 TRP 160 1.040 -23.236 -5.265 -13.560 -99.200 -91.000 TRP6 160 1.020 -22.017 -6.686 -12.126 -99.200 -91.000 PHE 164 1.000 -27.080 -0.071 -18.014 -99.200 -91.000 PHE 167 1.000 -30.755 -7.064 -22.796 -99.200 -91.000 TYR 169 0.840 -31.969 -0.946 -19.923 -99.200 -91.000 HIS 171 0.900 -22.938 3.798 -24.996 -99.200 -91.000 PHE 172 1.000 -21.881 -0.383 -17.787 -99.200 -91.000 TYR 179 0.840 -30.781 6.241 -13.232 -99.200 -91.000 TYR 183 0.840 -31.112 -4.627 -16.308 -99.200 -91.000 PHE 186 1.000 -22.676 -10.988 -7.364 -99.200 -91.000 PHE 192 1.000 -30.022 -10.436 -18.332 -99.200 -91.000 TRP 198 1.040 -38.743 -16.168 -15.517 -99.200 -91.000 TRP6 198 1.020 -40.027 -14.835 -14.060 -99.200 -91.000 TRP 200 1.040 -43.690 -14.328 -20.382 -99.200 -91.000 TRP6 200 1.020 -41.878 -12.969 -19.738 -99.200 -91.000 PHE 208 1.000 -46.911 -6.141 -18.488 -99.200 -91.000 HIS 210 0.900 -53.348 -12.850 -21.959 -99.200 -91.000 HIS 217 0.900 -63.662 0.779 -13.215 -99.200 -91.000 HIS 236 0.900 -62.336 19.622 -15.702 -99.200 -91.000 HIS 238 0.900 -59.797 20.670 -19.745 -99.200 -91.000 TRP 242 1.040 -63.550 11.965 -22.677 -99.200 -91.000 TRP6 242 1.020 -61.995 12.080 -20.901 -99.200 -91.000 PHE 258 1.000 -48.017 16.449 -16.174 -99.200 -91.000 TYR 261 0.840 -49.678 16.048 -21.503 -99.200 -91.000 TYR 271 0.840 -35.414 20.015 -9.361 -99.200 -91.000 PHE 272 1.000 -41.640 16.441 -13.379 -99.200 -91.000 HIS 277 0.900 -35.528 10.938 -25.215 -99.200 -91.000 TYR 280 0.840 -32.479 -0.578 -27.334 -99.200 -91.000 TYR 290 0.840 -33.793 -17.832 -38.700 -99.200 -91.000 TYR 296 0.840 -26.095 -10.229 -25.956 -99.200 -91.000 HIS 308 0.900 -21.211 0.480 -36.812 -99.200 -91.000 TYR 312 0.840 -27.138 -11.485 -34.578 -99.200 -91.000 TYR 313 0.840 -35.370 -12.635 -29.302 -99.200 -91.000 HIS 314 0.900 -32.016 -18.461 -33.767 -99.200 -91.000 TRP 316 1.040 -40.858 -17.205 -33.342 -99.200 -91.000 TRP6 316 1.020 -41.840 -18.297 -31.493 -99.200 -91.000 HIS 321 0.900 -37.846 -18.969 -45.436 -99.200 -91.000 TYR 327 0.840 -33.014 -5.840 -30.137 -99.200 -91.000 HIS 332 0.900 -21.656 8.602 -25.117 -99.200 -91.000 TYR 335 0.840 -19.220 9.989 -29.788 -99.200 -91.000 PHE 354 1.000 -22.651 -8.036 -36.798 -99.200 -91.000 HIS 356 0.900 -25.934 -14.586 -39.080 -99.200 -91.000 TRP 367 1.040 -38.967 0.594 -28.990 -99.200 -91.000 TRP6 367 1.020 -41.317 0.397 -28.861 -99.200 -91.000 TYR 368 0.840 -39.245 9.148 -23.274 -99.200 -91.000 TYR 369 0.840 -34.806 1.152 -23.738 -99.200 -91.000 PHE 370 1.000 -31.593 4.397 -18.133 -99.200 -91.000 HIS 372 0.900 -30.448 8.245 -18.524 -99.200 -91.000 TYR 378 0.840 -29.273 9.213 -8.497 -99.200 -91.000 TRP 382 1.040 -34.212 15.211 -11.483 -99.200 -91.000 TRP6 382 1.020 -36.025 13.703 -11.603 -99.200 -91.000 TYR 383 0.840 -34.378 9.787 -9.362 -99.200 -91.000 PHE 396 1.000 -50.046 10.723 -4.909 -99.200 -91.000 TYR 397 0.840 -44.871 14.227 -9.699 -99.200 -91.000 PHE 404 1.000 -32.823 0.167 -15.473 -99.200 -91.000 PHE 407 1.000 -40.955 -7.184 -18.483 -99.200 -91.000 HIS 412 0.900 -40.433 -4.026 -6.140 -99.200 -91.000 TYR 413 0.840 -41.863 4.505 -7.935 -99.200 -91.000 PHE 421 1.000 -46.162 8.539 -1.744 -99.200 -91.000 PHE 422 1.000 -52.696 6.513 -4.406 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ba9A1 SER 2 HA 0.05 -0.15 0.10 -0.75 4.49 3.74 2ba9A1 SER 2 HB2 0.03 -0.03 -0.01 -0.04 3.95 3.90 2ba9A1 SER 2 HB3 0.04 -0.13 0.07 -0.04 3.93 3.86 2ba9A1 ILE 3 H 0.07 0.50 0.30 -0.55 8.25 8.57 2ba9A1 ILE 3 HA 0.04 0.02 0.83 -0.75 4.18 4.32 2ba9A1 ILE 3 HB 0.09 0.01 0.06 -0.04 1.89 2.01 2ba9A1 ILE 3 HG12 -0.65 0.29 -0.01 -0.04 1.49 1.08 2ba9A1 ILE 3 HG13 -1.25 -0.12 -0.09 -0.04 1.21 -0.28 2ba9A1 ILE 3 HG23 0.16 0.02 -0.04 -0.04 0.93 1.04 2ba9A1 ILE 3 HD13 -0.09 -0.01 -0.11 -0.04 0.88 0.63 2ba9A1 SER 4 H 0.12 0.08 0.14 -0.55 8.46 8.25 2ba9A1 SER 4 HA 0.07 0.13 0.62 -0.75 4.49 4.56 2ba9A1 SER 4 HB2 0.05 0.08 0.10 -0.04 3.95 4.14 2ba9A1 SER 4 HB3 0.08 -0.00 0.09 -0.04 3.93 4.06 2ba9A1 LYS 5 H -0.09 0.16 0.17 -0.55 8.42 8.10 2ba9A1 LYS 5 HA -0.50 0.15 0.37 -0.75 4.32 3.59 2ba9A1 LYS 5 HB2 -0.14 -0.09 0.07 -0.04 1.87 1.67 2ba9A1 LYS 5 HB3 -0.31 0.22 0.20 -0.04 1.79 1.85 2ba9A1 LYS 5 HG2 -0.28 -0.07 0.12 -0.04 1.46 1.19 2ba9A1 LYS 5 HG3 -0.25 0.00 0.07 -0.04 1.46 1.24 2ba9A1 LYS 5 HD2 -0.98 0.09 -0.30 -0.04 1.69 0.46 2ba9A1 LYS 5 HD3 -2.11 -0.02 -0.17 -0.04 1.68 -0.66 2ba9A1 LYS 5 HE2 -0.36 0.03 -0.06 -0.04 2.99 2.56 2ba9A1 LYS 5 HE3 -0.24 -0.04 0.02 -0.04 2.99 2.69 2ba9A1 ASP 6 H 0.02 0.01 -0.24 -0.55 8.40 7.65 2ba9A1 ASP 6 HA 0.05 0.16 0.68 -0.75 4.63 4.77 2ba9A1 ASP 6 HB2 0.03 0.01 0.12 -0.04 2.71 2.83 2ba9A1 ASP 6 HB3 0.02 -0.02 0.06 -0.04 2.70 2.72 2ba9A1 SER 7 H 0.17 0.40 -0.57 -0.55 8.46 7.91 2ba9A1 SER 7 HA 0.09 -0.02 0.57 -0.75 4.49 4.38 2ba9A1 SER 7 HB2 0.29 0.11 0.03 -0.04 3.95 4.34 2ba9A1 SER 7 HB3 0.16 -0.05 -0.09 -0.04 3.93 3.90 2ba9A1 ARG 8 H 0.06 0.08 0.23 -0.55 8.46 8.28 2ba9A1 ARG 8 HA 0.05 0.37 0.84 -0.75 4.34 4.84 2ba9A1 ARG 8 HB2 0.02 -0.24 0.31 -0.04 1.90 1.94 2ba9A1 ARG 8 HB3 -0.01 0.05 0.07 -0.04 1.80 1.88 2ba9A1 ARG 8 HG2 -0.02 0.04 0.04 -0.04 1.67 1.69 2ba9A1 ARG 8 HG3 0.01 0.08 0.06 -0.04 1.67 1.78 2ba9A1 ARG 8 HD2 -0.04 0.10 0.08 -0.04 3.22 3.32 2ba9A1 ARG 8 HD3 -0.03 -0.01 0.03 -0.04 3.22 3.17 2ba9A1 ILE 9 H 0.09 0.76 0.34 -0.55 8.25 8.89 2ba9A1 ILE 9 HA 0.11 0.16 0.87 -0.75 4.18 4.57 2ba9A1 ILE 9 HB 0.13 -0.01 0.03 -0.04 1.89 2.01 2ba9A1 ILE 9 HG12 0.22 -0.03 -0.24 -0.04 1.49 1.40 2ba9A1 ILE 9 HG13 0.18 0.03 -0.55 -0.04 1.21 0.82 2ba9A1 ILE 9 HG23 0.04 -0.03 -0.33 -0.04 0.93 0.58 2ba9A1 ILE 9 HD13 0.08 0.01 -0.17 -0.04 0.88 0.75 2ba9A1 ALA 10 H 0.09 0.73 0.33 -0.55 8.40 9.01 2ba9A1 ALA 10 HA 0.09 0.22 0.96 -0.75 4.34 4.85 2ba9A1 ALA 10 HB3 0.10 -0.01 0.06 -0.04 1.41 1.51 2ba9A1 ILE 11 H 0.10 0.98 0.39 -0.55 8.25 9.17 2ba9A1 ILE 11 HA 0.05 0.21 0.98 -0.75 4.18 4.67 2ba9A1 ILE 11 HB 0.08 -0.03 0.10 -0.04 1.89 2.00 2ba9A1 ILE 11 HG12 -0.03 -0.02 -0.13 -0.04 1.49 1.26 2ba9A1 ILE 11 HG13 0.03 -0.03 -0.37 -0.04 1.21 0.80 2ba9A1 ILE 11 HG23 0.03 0.02 -0.14 -0.04 0.93 0.80 2ba9A1 ILE 11 HD13 -0.05 0.01 -0.23 -0.04 0.88 0.57 2ba9A1 ILE 12 H 0.06 0.67 0.34 -0.55 8.25 8.77 2ba9A1 ILE 12 HA 0.08 0.19 1.01 -0.75 4.18 4.70 2ba9A1 ILE 12 HB 0.07 -0.16 0.17 -0.04 1.89 1.93 2ba9A1 ILE 12 HG12 0.09 0.08 -0.09 -0.04 1.49 1.54 2ba9A1 ILE 12 HG13 0.16 0.01 -0.07 -0.04 1.21 1.27 2ba9A1 ILE 12 HG23 0.11 0.00 -0.03 -0.04 0.93 0.98 2ba9A1 ILE 12 HD13 0.13 0.02 -0.18 -0.04 0.88 0.81 2ba9A1 GLY 13 H 0.04 0.78 0.25 -0.55 8.43 8.96 2ba9A1 GLY 13 HA2 0.01 -0.07 0.45 -0.51 4.01 3.89 2ba9A1 GLY 13 HA3 0.02 0.07 0.67 -0.51 4.01 4.26 2ba9A1 ALA 14 H 0.00 0.12 0.06 -0.55 8.40 8.03 2ba9A1 ALA 14 HA 0.02 0.23 0.77 -0.75 4.34 4.61 2ba9A1 ALA 14 HB3 0.03 0.05 0.04 -0.04 1.41 1.49 2ba9A1 GLY 15 H -0.02 0.09 -0.24 -0.55 8.43 7.72 2ba9A1 GLY 15 HA2 -0.11 0.02 0.51 -0.51 4.01 3.92 2ba9A1 GLY 15 HA3 -0.09 0.06 0.25 -0.51 4.01 3.72 2ba9A1 PRO 16 HA -0.47 0.14 0.37 -0.51 4.44 3.97 2ba9A1 PRO 16 HB2 -0.15 -0.04 0.06 -0.04 2.28 2.11 2ba9A1 PRO 16 HB3 -0.40 0.12 0.08 -0.04 2.02 1.77 2ba9A1 PRO 16 HG2 -0.41 0.00 0.09 -0.04 2.03 1.68 2ba9A1 PRO 16 HG3 -1.68 0.13 0.10 -0.04 2.03 0.54 2ba9A1 PRO 16 HD2 -0.23 0.03 0.16 -0.04 3.68 3.60 2ba9A1 PRO 16 HD3 -0.40 0.38 0.06 -0.04 3.65 3.64 2ba9A1 ALA 17 H -0.05 0.06 -0.29 -0.55 8.40 7.57 2ba9A1 ALA 17 HA 0.08 0.13 0.21 -0.75 4.34 4.00 2ba9A1 ALA 17 HB3 0.04 0.01 0.04 -0.04 1.41 1.45 2ba9A1 GLY 18 H 0.00 -0.01 -0.25 -0.55 8.43 7.63 2ba9A1 GLY 18 HA2 0.02 0.08 0.38 -0.51 4.01 3.99 2ba9A1 GLY 18 HA3 0.02 0.45 0.27 -0.51 4.01 4.24 2ba9A1 LEU 19 H 0.02 0.47 -0.17 -0.55 8.37 8.15 2ba9A1 LEU 19 HA 0.05 0.10 0.35 -0.75 4.35 4.09 2ba9A1 LEU 19 HB2 0.12 -0.01 -0.05 -0.04 1.64 1.66 2ba9A1 LEU 19 HB3 0.13 0.05 -0.09 -0.04 1.64 1.69 2ba9A1 LEU 19 HG 0.03 -0.08 -0.20 -0.04 1.64 1.35 2ba9A1 LEU 19 HD13 0.10 -0.00 -0.17 -0.04 0.93 0.82 2ba9A1 LEU 19 HD23 0.08 0.02 -0.02 -0.04 0.89 0.92 2ba9A1 ALA 20 H 0.09 0.42 -0.33 -0.55 8.40 8.04 2ba9A1 ALA 20 HA 0.10 0.06 0.44 -0.75 4.34 4.19 2ba9A1 ALA 20 HB3 0.24 0.01 0.08 -0.04 1.41 1.70 2ba9A1 ALA 21 H 0.04 0.39 -0.27 -0.55 8.40 8.00 2ba9A1 ALA 21 HA -0.02 0.04 0.33 -0.75 4.34 3.94 2ba9A1 ALA 21 HB3 -0.05 0.04 0.06 -0.04 1.41 1.41 2ba9A1 GLY 22 H -0.10 0.48 -0.24 -0.55 8.43 8.03 2ba9A1 GLY 22 HA2 -0.69 0.04 0.34 -0.51 4.01 3.19 2ba9A1 GLY 22 HA3 -0.34 0.08 0.22 -0.51 4.01 3.46 2ba9A1 MET 23 H -0.12 0.55 -0.09 -0.55 8.47 8.26 2ba9A1 MET 23 HA -0.15 0.04 0.39 -0.75 4.52 4.04 2ba9A1 MET 23 HB2 -0.14 0.03 0.07 -0.04 2.15 2.07 2ba9A1 MET 23 HB3 -0.25 0.03 0.14 -0.04 2.03 1.90 2ba9A1 MET 23 HG2 -0.79 0.00 -0.39 -0.04 2.63 1.40 2ba9A1 MET 23 HG3 -0.28 0.03 -0.04 -0.04 2.56 2.23 2ba9A1 MET 23 HE3 -0.36 -0.00 -0.16 -0.04 2.10 1.53 2ba9A1 TYR 24 H -0.05 0.56 -0.28 -0.55 8.29 7.97 2ba9A1 TYR 24 HA -0.04 0.05 0.42 -0.75 4.56 4.23 2ba9A1 TYR 24 HB2 -0.09 0.10 0.01 -0.04 3.06 3.04 2ba9A1 TYR 24 HB3 -0.07 0.01 0.04 -0.04 2.98 2.92 2ba9A1 TYR 24 HD2 -0.01 0.12 -0.02 -0.04 7.15 7.20 2ba9A1 TYR 24 HE2 0.03 -0.04 -0.06 -0.04 6.85 6.75 2ba9A1 LEU 25 H -0.17 0.54 -0.14 -0.55 8.37 8.06 2ba9A1 LEU 25 HA -0.14 0.02 0.58 -0.75 4.35 4.07 2ba9A1 LEU 25 HB2 -0.36 0.10 0.17 -0.04 1.64 1.50 2ba9A1 LEU 25 HB3 -0.15 0.03 -0.02 -0.04 1.64 1.46 2ba9A1 LEU 25 HG -0.48 -0.00 -0.00 -0.04 1.64 1.11 2ba9A1 LEU 25 HD13 -0.43 -0.03 -0.19 -0.04 0.93 0.25 2ba9A1 LEU 25 HD23 -1.17 -0.01 -0.05 -0.04 0.89 -0.39 2ba9A1 GLU 26 H -0.21 0.65 -0.04 -0.55 8.60 8.46 2ba9A1 GLU 26 HA 0.05 0.12 0.29 -0.75 4.29 3.99 2ba9A1 GLU 26 HB2 0.03 0.05 0.14 -0.04 2.09 2.27 2ba9A1 GLU 26 HB3 -0.02 0.13 0.16 -0.04 1.99 2.22 2ba9A1 GLU 26 HG2 0.14 0.00 -0.13 -0.04 2.34 2.31 2ba9A1 GLU 26 HG3 0.33 -0.02 0.04 -0.04 2.34 2.65 2ba9A1 GLN 27 H -0.04 0.45 -0.21 -0.55 8.47 8.13 2ba9A1 GLN 27 HA 0.02 0.03 0.33 -0.75 4.36 3.98 2ba9A1 GLN 27 HB2 0.02 0.03 0.10 -0.04 2.15 2.26 2ba9A1 GLN 27 HB3 0.04 -0.05 0.04 -0.04 2.02 2.00 2ba9A1 GLN 27 HG2 -0.02 -0.04 0.02 -0.04 2.40 2.33 2ba9A1 GLN 27 HG3 -0.08 0.18 0.09 -0.04 2.39 2.53 2ba9A1 GLN 27 HE21 -0.10 -0.08 -0.07 -0.04 6.97 6.68 2ba9A1 GLN 27 HE22 0.04 0.04 -0.04 -0.04 7.69 7.70 2ba9A1 ALA 28 H 0.07 0.36 -0.43 -0.55 8.40 7.85 2ba9A1 ALA 28 HA 0.07 0.06 0.67 -0.75 4.34 4.38 2ba9A1 ALA 28 HB3 0.22 -0.01 0.09 -0.04 1.41 1.67 2ba9A1 GLY 29 H -0.06 0.49 -0.33 -0.55 8.43 7.99 2ba9A1 GLY 29 HA2 -0.27 0.01 0.25 -0.51 4.01 3.49 2ba9A1 GLY 29 HA3 -0.15 0.07 0.64 -0.51 4.01 4.06 2ba9A1 PHE 30 H 0.08 0.57 -0.05 -0.55 8.34 8.39 2ba9A1 PHE 30 HA -0.03 0.16 0.84 -0.75 4.62 4.84 2ba9A1 PHE 30 HB2 -0.07 -0.02 0.00 -0.04 3.15 3.01 2ba9A1 PHE 30 HB3 0.03 -0.03 -0.07 -0.04 3.06 2.95 2ba9A1 PHE 30 HD2 0.04 0.04 -0.13 -0.04 7.28 7.19 2ba9A1 PHE 30 HE2 0.11 0.02 -0.43 -0.04 7.38 7.04 2ba9A1 PHE 30 HZ 0.13 0.41 -0.16 -0.04 7.32 7.66 2ba9A1 HIS 31 H 0.09 0.28 0.07 -0.55 8.41 8.31 2ba9A1 HIS 31 HA 0.30 0.15 0.61 -0.75 4.63 4.94 2ba9A1 HIS 31 HB2 0.08 0.02 0.00 -0.04 3.26 3.32 2ba9A1 HIS 31 HB3 0.12 -0.02 0.10 -0.04 3.20 3.36 2ba9A1 HIS 31 HD2 0.01 0.05 -0.01 -0.04 6.97 6.97 2ba9A1 HIS 31 HE1 0.04 0.02 -0.03 -0.04 7.75 7.73 2ba9A1 ASP 32 H 0.19 0.21 -0.13 -0.55 8.40 8.12 2ba9A1 ASP 32 HA -0.13 0.19 0.82 -0.75 4.63 4.75 2ba9A1 ASP 32 HB2 0.05 -0.04 0.00 -0.04 2.71 2.69 2ba9A1 ASP 32 HB3 0.08 0.26 0.10 -0.04 2.70 3.10 2ba9A1 TYR 33 H -0.35 0.30 -0.28 -0.55 8.29 7.42 2ba9A1 TYR 33 HA -0.02 0.23 1.01 -0.75 4.56 5.04 2ba9A1 TYR 33 HB2 -0.00 -0.05 -0.04 -0.04 3.06 2.92 2ba9A1 TYR 33 HB3 0.02 0.02 -0.14 -0.04 2.98 2.84 2ba9A1 TYR 33 HD2 0.07 0.06 -0.24 -0.04 7.15 7.01 2ba9A1 TYR 33 HE2 0.13 0.09 0.00 -0.04 6.85 7.04 2ba9A1 THR 34 H 0.11 0.67 0.35 -0.55 8.28 8.86 2ba9A1 THR 34 HA -0.04 0.20 0.71 -0.75 4.39 4.51 2ba9A1 THR 34 HB 0.01 -0.06 0.06 -0.04 4.32 4.29 2ba9A1 THR 34 HG23 0.02 -0.01 -0.17 -0.04 1.22 1.01 2ba9A1 ILE 35 H 0.14 0.31 0.06 -0.55 8.25 8.21 2ba9A1 ILE 35 HA 0.11 0.25 1.04 -0.75 4.18 4.84 2ba9A1 ILE 35 HB 0.13 -0.03 0.04 -0.04 1.89 1.99 2ba9A1 ILE 35 HG12 0.10 0.01 -0.13 -0.04 1.49 1.43 2ba9A1 ILE 35 HG13 0.28 -0.00 -0.23 -0.04 1.21 1.22 2ba9A1 ILE 35 HG23 0.07 -0.03 -0.33 -0.04 0.93 0.60 2ba9A1 ILE 35 HD13 0.13 0.00 -0.10 -0.04 0.88 0.88 2ba9A1 LEU 36 H 0.09 0.87 0.33 -0.55 8.37 9.11 2ba9A1 LEU 36 HA 0.11 0.27 0.95 -0.75 4.35 4.93 2ba9A1 LEU 36 HB2 0.11 -0.07 0.12 -0.04 1.64 1.75 2ba9A1 LEU 36 HB3 0.11 0.00 -0.07 -0.04 1.64 1.65 2ba9A1 LEU 36 HG 0.16 0.02 -0.31 -0.04 1.64 1.47 2ba9A1 LEU 36 HD13 0.24 -0.01 -0.16 -0.04 0.93 0.96 2ba9A1 LEU 36 HD23 0.31 0.03 -0.18 -0.04 0.89 1.02 2ba9A1 GLU 37 H 0.06 0.90 0.31 -0.55 8.60 9.33 2ba9A1 GLU 37 HA 0.01 -0.11 0.94 -0.75 4.29 4.38 2ba9A1 GLU 37 HB2 0.02 -0.12 -0.07 -0.04 2.09 1.87 2ba9A1 GLU 37 HB3 0.02 0.25 0.03 -0.04 1.99 2.25 2ba9A1 GLU 37 HG2 -0.04 0.23 -0.07 -0.04 2.34 2.42 2ba9A1 GLU 37 HG3 -0.06 0.10 -0.27 -0.04 2.34 2.07 2ba9A1 ARG 38 H -0.03 0.01 0.22 -0.55 8.46 8.11 2ba9A1 ARG 38 HA -0.05 0.35 0.36 -0.75 4.34 4.25 2ba9A1 ARG 38 HB2 -0.06 0.01 0.15 -0.04 1.90 1.97 2ba9A1 ARG 38 HB3 -0.05 -0.11 0.16 -0.04 1.80 1.75 2ba9A1 ARG 38 HG2 -0.05 -0.02 -0.15 -0.04 1.67 1.41 2ba9A1 ARG 38 HG3 -0.08 0.07 0.01 -0.04 1.67 1.64 2ba9A1 ARG 38 HD2 -0.10 0.05 0.02 -0.04 3.22 3.15 2ba9A1 ARG 38 HD3 -0.06 -0.07 0.01 -0.04 3.22 3.07 2ba9A1 THR 39 H -0.11 -0.05 0.02 -0.55 8.28 7.60 2ba9A1 THR 39 HA -0.05 0.22 0.51 -0.75 4.39 4.32 2ba9A1 THR 39 HB -0.21 -0.01 0.17 -0.04 4.32 4.24 2ba9A1 THR 39 HG23 -0.11 0.01 0.03 -0.04 1.22 1.10 2ba9A1 ASP 40 H 0.04 0.17 0.13 -0.55 8.40 8.19 2ba9A1 ASP 40 HA 0.03 0.15 0.73 -0.75 4.63 4.79 2ba9A1 ASP 40 HB2 0.08 0.06 0.19 -0.04 2.71 2.99 2ba9A1 ASP 40 HB3 0.06 0.02 0.09 -0.04 2.70 2.84 2ba9A1 HIS 41 H -0.22 0.08 -0.38 -0.55 8.41 7.35 2ba9A1 HIS 41 HA 0.06 0.24 0.78 -0.75 4.63 4.95 2ba9A1 HIS 41 HB2 0.09 0.05 0.06 -0.04 3.26 3.43 2ba9A1 HIS 41 HB3 0.08 0.11 -0.24 -0.04 3.20 3.11 2ba9A1 HIS 41 HD2 0.21 0.04 -0.31 -0.04 6.97 6.85 2ba9A1 HIS 41 HE1 0.06 0.03 -0.02 -0.04 7.75 7.77 2ba9A1 VAL 42 H 0.18 0.28 0.17 -0.55 8.24 8.33 2ba9A1 VAL 42 HA 0.04 0.11 0.90 -0.75 4.13 4.43 2ba9A1 VAL 42 HB 0.06 0.08 0.08 -0.04 2.12 2.30 2ba9A1 VAL 42 HG13 0.06 -0.00 -0.17 -0.04 0.97 0.82 2ba9A1 VAL 42 HG23 0.08 0.02 -0.08 -0.04 0.95 0.92 2ba9A1 GLY 43 H 0.01 0.49 0.32 -0.55 8.43 8.70 2ba9A1 GLY 43 HA2 -0.14 -0.06 0.34 -0.51 4.01 3.65 2ba9A1 GLY 43 HA3 0.04 0.39 0.89 -0.51 4.01 4.82 2ba9A1 GLY 44 H 0.07 0.14 -0.12 -0.55 8.43 7.98 2ba9A1 GLY 44 HA2 0.08 0.07 0.27 -0.51 4.01 3.92 2ba9A1 GLY 44 HA3 -0.02 -0.10 0.49 -0.51 4.01 3.86 2ba9A1 LYS 45 H -0.12 0.06 0.27 -0.55 8.42 8.07 2ba9A1 LYS 45 HA -0.69 0.21 0.50 -0.75 4.32 3.58 2ba9A1 LYS 45 HB2 -0.21 -0.05 0.13 -0.04 1.87 1.70 2ba9A1 LYS 45 HB3 -0.62 0.04 0.18 -0.04 1.79 1.35 2ba9A1 LYS 45 HG2 -0.50 0.06 -0.04 -0.04 1.46 0.94 2ba9A1 LYS 45 HG3 -0.06 -0.10 0.06 -0.04 1.46 1.32 2ba9A1 LYS 45 HD2 -0.22 0.02 0.03 -0.04 1.69 1.48 2ba9A1 LYS 45 HD3 0.26 0.10 0.05 -0.04 1.68 2.04 2ba9A1 LYS 45 HE2 -0.05 -0.10 0.07 -0.04 2.99 2.87 2ba9A1 LYS 45 HE3 0.07 -0.03 0.14 -0.04 2.99 3.13 2ba9A1 CYS 46 H -0.16 0.48 -0.09 -0.55 8.50 8.18 2ba9A1 CYS 46 HA -0.08 0.04 0.71 -0.75 4.58 4.50 2ba9A1 CYS 46 HB2 -0.21 0.13 0.17 -0.04 2.97 3.02 2ba9A1 CYS 46 HB3 -0.11 -0.06 -0.30 -0.04 2.97 2.46 2ba9A1 HIS 47 H 0.06 0.21 -0.13 -0.55 8.41 8.00 2ba9A1 HIS 47 HA 0.02 0.16 0.75 -0.75 4.63 4.80 2ba9A1 HIS 47 HB2 0.13 0.17 -0.30 -0.04 3.26 3.22 2ba9A1 HIS 47 HB3 0.24 -0.07 -0.02 -0.04 3.20 3.31 2ba9A1 HIS 47 HD2 0.14 -0.02 -0.14 -0.04 6.97 6.91 2ba9A1 HIS 47 HE1 -0.85 -0.03 -0.09 -0.04 7.75 6.73 2ba9A1 SER 48 H -0.25 0.21 0.02 -0.55 8.46 7.89 2ba9A1 SER 48 HA -0.13 0.39 1.04 -0.75 4.49 5.05 2ba9A1 SER 48 HB2 -0.06 0.06 0.16 -0.04 3.95 4.07 2ba9A1 SER 48 HB3 0.01 0.17 -0.07 -0.04 3.93 3.99 2ba9A1 PRO 49 HA -0.22 0.10 0.62 -0.51 4.44 4.44 2ba9A1 PRO 49 HB2 -0.32 0.11 -0.08 -0.04 2.28 1.95 2ba9A1 PRO 49 HB3 -0.16 0.01 0.08 -0.04 2.02 1.92 2ba9A1 PRO 49 HG2 -0.23 0.05 -0.06 -0.04 2.03 1.75 2ba9A1 PRO 49 HG3 -0.23 -0.01 -0.08 -0.04 2.03 1.68 2ba9A1 PRO 49 HD2 -0.78 0.16 0.05 -0.04 3.68 3.06 2ba9A1 PRO 49 HD3 -0.25 0.08 -0.17 -0.04 3.65 3.28 2ba9A1 ASN 50 H -0.02 0.10 0.17 -0.55 8.53 8.24 2ba9A1 ASN 50 HA 0.11 0.25 0.62 -0.75 4.76 5.00 2ba9A1 ASN 50 HB2 0.06 -0.03 0.06 -0.04 2.88 2.93 2ba9A1 ASN 50 HB3 0.07 -0.05 -0.07 -0.04 2.79 2.70 2ba9A1 ASN 50 HD21 -0.01 0.05 -0.02 -0.04 7.03 7.01 2ba9A1 ASN 50 HD22 -0.01 -0.07 0.07 -0.04 7.74 7.69 2ba9A1 TYR 51 H 0.26 0.84 0.27 -0.55 8.29 9.12 2ba9A1 TYR 51 HA 0.11 0.02 0.45 -0.75 4.56 4.39 2ba9A1 TYR 51 HB2 0.24 0.08 -0.09 -0.04 3.06 3.25 2ba9A1 TYR 51 HB3 0.14 -0.00 0.03 -0.04 2.98 3.10 2ba9A1 TYR 51 HD2 -0.08 -0.01 -0.01 -0.04 7.15 7.01 2ba9A1 TYR 51 HE2 -0.26 0.15 0.02 -0.04 6.85 6.72 2ba9A1 HIS 52 H -0.20 0.15 0.10 -0.55 8.41 7.91 2ba9A1 HIS 52 HA -0.25 0.03 0.35 -0.75 4.63 4.00 2ba9A1 HIS 52 HB2 -0.32 0.09 -0.16 -0.04 3.26 2.84 2ba9A1 HIS 52 HB3 -0.22 0.03 0.20 -0.04 3.20 3.17 2ba9A1 HIS 52 HD2 -0.52 -0.05 0.09 -0.04 6.97 6.44 2ba9A1 HIS 52 HE1 -0.10 0.02 0.00 -0.04 7.75 7.63 2ba9A1 GLY 53 H -0.02 0.03 -0.16 -0.55 8.43 7.73 2ba9A1 GLY 53 HA2 -0.04 -0.02 0.26 -0.51 4.01 3.70 2ba9A1 GLY 53 HA3 -0.09 0.11 0.27 -0.51 4.01 3.78 2ba9A1 ARG 54 H -0.01 0.34 -0.39 -0.55 8.46 7.85 2ba9A1 ARG 54 HA -0.06 0.14 0.79 -0.75 4.34 4.45 2ba9A1 ARG 54 HB2 -0.46 0.04 -0.03 -0.04 1.90 1.41 2ba9A1 ARG 54 HB3 -0.61 0.03 0.10 -0.04 1.80 1.27 2ba9A1 ARG 54 HG2 -0.40 0.11 -0.08 -0.04 1.67 1.26 2ba9A1 ARG 54 HG3 -0.41 0.06 -0.27 -0.04 1.67 1.01 2ba9A1 ARG 54 HD2 -2.49 0.00 0.02 -0.04 3.22 0.72 2ba9A1 ARG 54 HD3 -0.75 -0.02 -0.01 -0.04 3.22 2.40 2ba9A1 ARG 55 H 0.29 0.23 0.17 -0.55 8.46 8.60 2ba9A1 ARG 55 HA 0.18 0.21 0.92 -0.75 4.34 4.90 2ba9A1 ARG 55 HB2 0.22 -0.03 -0.03 -0.04 1.90 2.02 2ba9A1 ARG 55 HB3 0.07 0.10 -0.19 -0.04 1.80 1.74 2ba9A1 ARG 55 HG2 0.04 -0.02 -0.27 -0.04 1.67 1.39 2ba9A1 ARG 55 HG3 0.10 -0.11 -0.15 -0.04 1.67 1.47 2ba9A1 ARG 55 HD2 0.05 -0.06 -0.02 -0.04 3.22 3.14 2ba9A1 ARG 55 HD3 0.09 -0.03 -0.01 -0.04 3.22 3.23 2ba9A1 TYR 56 H 0.02 0.58 0.22 -0.55 8.29 8.56 2ba9A1 TYR 56 HA 0.22 0.19 0.88 -0.75 4.56 5.10 2ba9A1 TYR 56 HB2 0.12 -0.02 0.06 -0.04 3.06 3.19 2ba9A1 TYR 56 HB3 0.24 0.00 -0.04 -0.04 2.98 3.15 2ba9A1 TYR 56 HD2 0.14 0.05 -0.28 -0.04 7.15 7.02 2ba9A1 TYR 56 HE2 0.07 0.07 -0.32 -0.04 6.85 6.63 2ba9A1 GLU 57 H 0.35 0.21 0.12 -0.55 8.60 8.74 2ba9A1 GLU 57 HA 0.11 0.12 0.89 -0.75 4.29 4.65 2ba9A1 GLU 57 HB2 0.31 0.02 0.12 -0.04 2.09 2.50 2ba9A1 GLU 57 HB3 0.17 0.15 -0.08 -0.04 1.99 2.19 2ba9A1 GLU 57 HG2 0.23 -0.01 -0.11 -0.04 2.34 2.41 2ba9A1 GLU 57 HG3 0.22 0.02 0.07 -0.04 2.34 2.61 2ba9A1 MET 58 H 0.14 0.59 0.36 -0.55 8.47 9.02 2ba9A1 MET 58 HA 0.28 0.15 0.80 -0.75 4.52 4.99 2ba9A1 MET 58 HB2 0.44 0.06 0.06 -0.04 2.15 2.67 2ba9A1 MET 58 HB3 0.52 -0.04 0.04 -0.04 2.03 2.51 2ba9A1 MET 58 HG2 0.20 0.00 -0.16 -0.04 2.63 2.64 2ba9A1 MET 58 HG3 0.24 -0.03 -0.08 -0.04 2.56 2.65 2ba9A1 MET 58 HE3 0.04 0.02 -0.12 -0.04 2.10 2.00 2ba9A1 GLY 59 H 0.16 0.06 0.02 -0.55 8.43 8.12 2ba9A1 GLY 59 HA2 -0.13 0.20 0.84 -0.51 4.01 4.41 2ba9A1 GLY 59 HA3 -0.19 0.20 0.50 -0.51 4.01 4.00 2ba9A1 ALA 60 H -0.04 0.40 0.32 -0.55 8.40 8.53 2ba9A1 ALA 60 HA 0.17 0.05 0.47 -0.75 4.34 4.27 2ba9A1 ALA 60 HB3 0.34 -0.03 0.10 -0.04 1.41 1.78 2ba9A1 ILE 61 H 0.20 0.03 0.26 -0.55 8.25 8.19 2ba9A1 ILE 61 HA 0.18 0.12 0.95 -0.75 4.18 4.67 2ba9A1 ILE 61 HB -0.09 -0.01 0.11 -0.04 1.89 1.86 2ba9A1 ILE 61 HG12 -0.11 0.00 -0.05 -0.04 1.49 1.29 2ba9A1 ILE 61 HG13 -0.09 0.07 -0.09 -0.04 1.21 1.06 2ba9A1 ILE 61 HG23 -0.26 0.01 -0.06 -0.04 0.93 0.58 2ba9A1 ILE 61 HD13 -0.79 0.01 -0.05 -0.04 0.88 0.00 2ba9A1 MET 62 H 0.36 -0.00 0.23 -0.55 8.47 8.51 2ba9A1 MET 62 HA 0.41 0.43 1.06 -0.75 4.52 5.67 2ba9A1 MET 62 HB2 -0.02 0.12 0.10 -0.04 2.15 2.31 2ba9A1 MET 62 HB3 0.07 0.00 -0.15 -0.04 2.03 1.91 2ba9A1 MET 62 HG2 0.36 -0.16 0.06 -0.04 2.63 2.85 2ba9A1 MET 62 HG3 0.18 -0.02 -0.21 -0.04 2.56 2.48 2ba9A1 MET 62 HE3 0.03 -0.00 -0.06 -0.04 2.10 2.03 2ba9A1 GLY 63 H 0.04 0.46 0.31 -0.55 8.43 8.69 2ba9A1 GLY 63 HA2 -0.81 0.09 0.56 -0.51 4.01 3.34 2ba9A1 GLY 63 HA3 -0.47 -0.00 0.40 -0.51 4.01 3.42 2ba9A1 VAL 64 H -1.72 0.12 0.21 -0.55 8.24 6.29 2ba9A1 VAL 64 HA -0.87 0.38 0.90 -0.75 4.13 3.79 2ba9A1 VAL 64 HB -0.40 0.03 0.15 -0.04 2.12 1.86 2ba9A1 VAL 64 HG13 -0.47 0.09 -0.09 -0.04 0.97 0.45 2ba9A1 VAL 64 HG23 -0.23 -0.05 -0.04 -0.04 0.95 0.60 2ba9A1 PRO 65 HA -0.29 0.09 0.36 -0.51 4.44 4.09 2ba9A1 PRO 65 HB2 -0.06 0.03 -0.05 -0.04 2.28 2.16 2ba9A1 PRO 65 HB3 0.12 0.07 0.07 -0.04 2.02 2.24 2ba9A1 PRO 65 HG2 -0.10 0.07 0.07 -0.04 2.03 2.03 2ba9A1 PRO 65 HG3 -0.03 0.06 0.01 -0.04 2.03 2.03 2ba9A1 PRO 65 HD2 -0.32 0.07 0.23 -0.04 3.68 3.62 2ba9A1 PRO 65 HD3 -0.50 0.44 0.26 -0.04 3.65 3.81 2ba9A1 SER 66 H -0.24 0.09 -0.40 -0.55 8.46 7.37 2ba9A1 SER 66 HA 0.00 0.20 0.62 -0.75 4.49 4.56 2ba9A1 SER 66 HB2 0.01 0.02 0.15 -0.04 3.95 4.09 2ba9A1 SER 66 HB3 -0.03 0.04 0.02 -0.04 3.93 3.92 2ba9A1 TYR 67 H -0.24 0.50 -0.44 -0.55 8.29 7.55 2ba9A1 TYR 67 HA -0.03 0.06 0.64 -0.75 4.56 4.48 2ba9A1 TYR 67 HB2 -0.52 0.31 0.20 -0.04 3.06 3.01 2ba9A1 TYR 67 HB3 0.25 -0.16 0.20 -0.04 2.98 3.23 2ba9A1 TYR 67 HD2 0.07 0.04 -0.07 -0.04 7.15 7.15 2ba9A1 TYR 67 HE2 -0.55 0.10 0.06 -0.04 6.85 6.42 2ba9A1 ASP 68 H 0.05 0.55 -0.14 -0.55 8.40 8.31 2ba9A1 ASP 68 HA 0.16 0.11 0.16 -0.75 4.63 4.32 2ba9A1 ASP 68 HB2 -0.08 -0.01 0.13 -0.04 2.71 2.70 2ba9A1 ASP 68 HB3 -0.00 0.05 -0.01 -0.04 2.70 2.69 2ba9A1 THR 69 H -0.03 0.10 -0.09 -0.55 8.28 7.70 2ba9A1 THR 69 HA 0.09 0.16 0.39 -0.75 4.39 4.28 2ba9A1 THR 69 HB 0.08 -0.06 0.05 -0.04 4.32 4.34 2ba9A1 THR 69 HG23 0.15 0.03 -0.23 -0.04 1.22 1.12 2ba9A1 ILE 70 H 0.21 0.04 -0.20 -0.55 8.25 7.76 2ba9A1 ILE 70 HA 0.24 0.05 0.42 -0.75 4.18 4.13 2ba9A1 ILE 70 HB 0.72 0.13 0.06 -0.04 1.89 2.76 2ba9A1 ILE 70 HG12 0.21 -0.10 0.03 -0.04 1.49 1.59 2ba9A1 ILE 70 HG13 0.80 -0.03 -0.08 -0.04 1.21 1.87 2ba9A1 ILE 70 HG23 0.45 0.01 -0.11 -0.04 0.93 1.24 2ba9A1 ILE 70 HD13 0.43 0.04 -0.18 -0.04 0.88 1.13 2ba9A1 GLN 71 H 0.37 0.50 -0.24 -0.55 8.47 8.55 2ba9A1 GLN 71 HA 0.17 0.00 0.43 -0.75 4.36 4.20 2ba9A1 GLN 71 HB2 0.41 -0.01 0.02 -0.04 2.15 2.53 2ba9A1 GLN 71 HB3 0.21 0.20 0.11 -0.04 2.02 2.50 2ba9A1 GLN 71 HG2 0.14 0.01 -0.04 -0.04 2.40 2.47 2ba9A1 GLN 71 HG3 0.10 0.02 -0.21 -0.04 2.39 2.26 2ba9A1 GLN 71 HE21 -0.04 0.04 -0.02 -0.04 6.97 6.90 2ba9A1 GLN 71 HE22 0.03 -0.02 -0.00 -0.04 7.69 7.65 2ba9A1 GLU 72 H 0.15 0.42 -0.13 -0.55 8.60 8.50 2ba9A1 GLU 72 HA 0.08 0.05 0.44 -0.75 4.29 4.11 2ba9A1 GLU 72 HB2 0.19 0.10 0.19 -0.04 2.09 2.53 2ba9A1 GLU 72 HB3 0.16 0.00 -0.04 -0.04 1.99 2.08 2ba9A1 GLU 72 HG2 0.10 0.01 0.03 -0.04 2.34 2.44 2ba9A1 GLU 72 HG3 0.10 0.03 0.03 -0.04 2.34 2.46 2ba9A1 ILE 73 H 0.12 0.36 -0.25 -0.55 8.25 7.92 2ba9A1 ILE 73 HA -0.02 0.08 0.47 -0.75 4.18 3.96 2ba9A1 ILE 73 HB 0.01 0.09 0.15 -0.04 1.89 2.10 2ba9A1 ILE 73 HG12 0.05 0.03 -0.03 -0.04 1.49 1.50 2ba9A1 ILE 73 HG13 0.16 0.18 -0.01 -0.04 1.21 1.50 2ba9A1 ILE 73 HG23 -0.22 -0.02 -0.16 -0.04 0.93 0.48 2ba9A1 ILE 73 HD13 0.23 -0.05 -0.09 -0.04 0.88 0.93 2ba9A1 MET 74 H 0.04 0.56 -0.05 -0.55 8.47 8.47 2ba9A1 MET 74 HA -0.03 -0.09 0.42 -0.75 4.52 4.07 2ba9A1 MET 74 HB2 0.02 0.10 0.10 -0.04 2.15 2.33 2ba9A1 MET 74 HB3 0.01 0.29 -0.03 -0.04 2.03 2.25 2ba9A1 MET 74 HG2 0.01 -0.11 -0.13 -0.04 2.63 2.36 2ba9A1 MET 74 HG3 0.08 0.12 -0.05 -0.04 2.56 2.66 2ba9A1 MET 74 HE3 -0.29 -0.00 -0.18 -0.04 2.10 1.59 2ba9A1 ASP 75 H 0.02 0.46 -0.27 -0.55 8.40 8.07 2ba9A1 ASP 75 HA 0.00 0.02 0.39 -0.75 4.63 4.29 2ba9A1 ASP 75 HB2 0.02 0.18 0.11 -0.04 2.71 2.97 2ba9A1 ASP 75 HB3 0.01 -0.03 -0.01 -0.04 2.70 2.64 2ba9A1 ARG 76 H -0.01 0.32 -0.32 -0.55 8.46 7.90 2ba9A1 ARG 76 HA -0.01 0.06 0.46 -0.75 4.34 4.09 2ba9A1 ARG 76 HB2 -0.04 0.04 0.13 -0.04 1.90 1.99 2ba9A1 ARG 76 HB3 -0.04 0.07 0.12 -0.04 1.80 1.90 2ba9A1 ARG 76 HG2 -0.03 0.02 -0.05 -0.04 1.67 1.57 2ba9A1 ARG 76 HG3 -0.03 -0.01 0.05 -0.04 1.67 1.64 2ba9A1 ARG 76 HD2 -0.11 -0.02 -0.02 -0.04 3.22 3.03 2ba9A1 ARG 76 HD3 -0.09 -0.07 -0.02 -0.04 3.22 3.01 2ba9A1 THR 77 H -0.02 0.21 -0.20 -0.55 8.28 7.73 2ba9A1 THR 77 HA -0.01 0.21 0.54 -0.75 4.39 4.38 2ba9A1 THR 77 HB 0.06 -0.07 -0.02 -0.04 4.32 4.25 2ba9A1 THR 77 HG23 -0.03 0.09 -0.15 -0.04 1.22 1.09 2ba9A1 GLY 78 H -0.01 0.52 -0.10 -0.55 8.43 8.30 2ba9A1 GLY 78 HA2 -0.01 0.04 0.28 -0.51 4.01 3.81 2ba9A1 GLY 78 HA3 -0.02 0.08 0.62 -0.51 4.01 4.18 2ba9A1 ASP 79 H 0.02 0.03 -0.11 -0.55 8.40 7.78 2ba9A1 ASP 79 HA 0.07 0.08 0.37 -0.75 4.63 4.40 2ba9A1 ASP 79 HB2 0.02 -0.05 0.01 -0.04 2.71 2.65 2ba9A1 ASP 79 HB3 0.11 -0.03 -0.04 -0.04 2.70 2.69 2ba9A1 LYS 80 H 0.11 0.16 0.17 -0.55 8.42 8.30 2ba9A1 LYS 80 HA -0.04 0.19 0.83 -0.75 4.32 4.54 2ba9A1 LYS 80 HB2 -0.01 -0.05 -0.13 -0.04 1.87 1.64 2ba9A1 LYS 80 HB3 -0.06 0.04 -0.03 -0.04 1.79 1.69 2ba9A1 LYS 80 HG2 0.01 0.05 -0.19 -0.04 1.46 1.29 2ba9A1 LYS 80 HG3 -0.01 -0.01 -0.07 -0.04 1.46 1.33 2ba9A1 LYS 80 HD2 -0.04 -0.06 -0.07 -0.04 1.69 1.48 2ba9A1 LYS 80 HD3 -0.02 0.19 -0.34 -0.04 1.68 1.46 2ba9A1 LYS 80 HE2 -0.01 0.19 -0.09 -0.04 2.99 3.04 2ba9A1 LYS 80 HE3 -0.02 -0.06 -0.06 -0.04 2.99 2.81 2ba9A1 VAL 81 H -0.27 0.19 0.07 -0.55 8.24 7.69 2ba9A1 VAL 81 HA -0.75 0.04 0.66 -0.75 4.13 3.32 2ba9A1 VAL 81 HB -0.58 0.04 0.20 -0.04 2.12 1.73 2ba9A1 VAL 81 HG13 -0.65 0.01 0.02 -0.04 0.97 0.30 2ba9A1 VAL 81 HG23 -1.36 -0.01 -0.04 -0.04 0.95 -0.49 2ba9A1 ASP 82 H -0.23 0.07 0.34 -0.55 8.40 8.04 2ba9A1 ASP 82 HA -0.09 0.26 0.86 -0.75 4.63 4.90 2ba9A1 ASP 82 HB2 0.02 0.03 0.16 -0.04 2.71 2.88 2ba9A1 ASP 82 HB3 -0.02 0.04 -0.23 -0.04 2.70 2.45 2ba9A1 GLY 83 H -0.21 0.44 0.01 -0.55 8.43 8.11 2ba9A1 GLY 83 HA2 0.05 0.06 0.27 -0.51 4.01 3.88 2ba9A1 GLY 83 HA3 -0.05 -0.08 -0.31 -0.51 4.01 3.06 2ba9A1 PRO 84 HA -0.00 0.03 0.55 -0.51 4.44 4.51 2ba9A1 PRO 84 HB2 -0.12 0.20 0.07 -0.04 2.28 2.40 2ba9A1 PRO 84 HB3 -0.01 -0.06 0.18 -0.04 2.02 2.09 2ba9A1 PRO 84 HG2 -0.55 0.10 0.12 -0.04 2.03 1.66 2ba9A1 PRO 84 HG3 -0.63 -0.02 0.12 -0.04 2.03 1.46 2ba9A1 PRO 84 HD2 -0.18 0.03 0.07 -0.04 3.68 3.57 2ba9A1 PRO 84 HD3 -0.15 0.06 0.13 -0.04 3.65 3.65 2ba9A1 LYS 85 H -0.00 0.04 0.17 -0.55 8.42 8.08 2ba9A1 LYS 85 HA -0.03 0.04 0.37 -0.75 4.32 3.94 2ba9A1 LYS 85 HB2 -0.01 -0.03 0.16 -0.04 1.87 1.95 2ba9A1 LYS 85 HB3 0.00 -0.02 0.06 -0.04 1.79 1.80 2ba9A1 LYS 85 HG2 -0.02 0.20 0.03 -0.04 1.46 1.64 2ba9A1 LYS 85 HG3 -0.03 -0.01 0.12 -0.04 1.46 1.50 2ba9A1 LYS 85 HD2 -0.01 -0.06 0.04 -0.04 1.69 1.62 2ba9A1 LYS 85 HD3 -0.00 -0.01 -0.00 -0.04 1.68 1.62 2ba9A1 LYS 85 HE2 -0.01 -0.04 0.04 -0.04 2.99 2.93 2ba9A1 LYS 85 HE3 -0.03 0.12 0.08 -0.04 2.99 3.13 2ba9A1 LEU 86 H -0.03 0.12 0.20 -0.55 8.37 8.12 2ba9A1 LEU 86 HA 0.05 0.16 0.83 -0.75 4.35 4.64 2ba9A1 LEU 86 HB2 -0.04 -0.01 0.12 -0.04 1.64 1.68 2ba9A1 LEU 86 HB3 0.02 -0.02 -0.01 -0.04 1.64 1.59 2ba9A1 LEU 86 HG 0.01 0.11 -0.11 -0.04 1.64 1.61 2ba9A1 LEU 86 HD13 -0.04 -0.02 -0.13 -0.04 0.93 0.69 2ba9A1 LEU 86 HD23 0.07 0.00 -0.01 -0.04 0.89 0.92 2ba9A1 ARG 87 H 0.05 0.30 0.28 -0.55 8.46 8.54 2ba9A1 ARG 87 HA -0.02 0.11 0.31 -0.75 4.34 3.98 2ba9A1 ARG 87 HB2 -0.01 -0.00 0.04 -0.04 1.90 1.88 2ba9A1 ARG 87 HB3 -0.02 0.04 0.24 -0.04 1.80 2.03 2ba9A1 ARG 87 HG2 0.01 -0.06 -0.90 -0.04 1.67 0.68 2ba9A1 ARG 87 HG3 0.02 0.01 -0.10 -0.04 1.67 1.56 2ba9A1 ARG 87 HD2 -0.00 0.04 -0.08 -0.04 3.22 3.15 2ba9A1 ARG 87 HD3 0.01 -0.03 -0.07 -0.04 3.22 3.09 2ba9A1 ARG 88 H -0.06 0.28 0.22 -0.55 8.46 8.34 2ba9A1 ARG 88 HA -0.09 0.24 0.95 -0.75 4.34 4.70 2ba9A1 ARG 88 HB2 -0.05 0.03 -0.05 -0.04 1.90 1.80 2ba9A1 ARG 88 HB3 0.02 -0.04 -0.34 -0.04 1.80 1.40 2ba9A1 ARG 88 HG2 -0.52 0.00 -0.29 -0.04 1.67 0.82 2ba9A1 ARG 88 HG3 -0.56 -0.02 -0.12 -0.04 1.67 0.92 2ba9A1 ARG 88 HD2 -0.09 0.01 -0.08 -0.04 3.22 3.02 2ba9A1 ARG 88 HD3 -0.10 -0.04 0.10 -0.04 3.22 3.14 2ba9A1 GLU 89 H -0.21 0.60 0.38 -0.55 8.60 8.82 2ba9A1 GLU 89 HA -0.15 0.13 0.64 -0.75 4.29 4.16 2ba9A1 GLU 89 HB2 -0.05 -0.05 0.21 -0.04 2.09 2.15 2ba9A1 GLU 89 HB3 -0.07 0.02 0.01 -0.04 1.99 1.91 2ba9A1 GLU 89 HG2 -0.14 0.14 0.02 -0.04 2.34 2.32 2ba9A1 GLU 89 HG3 -0.08 -0.01 -0.24 -0.04 2.34 1.96 2ba9A1 PHE 90 H -0.04 0.26 0.30 -0.55 8.34 8.30 2ba9A1 PHE 90 HA -0.13 0.20 1.15 -0.75 4.62 5.08 2ba9A1 PHE 90 HB2 -0.54 0.20 0.29 -0.04 3.15 3.06 2ba9A1 PHE 90 HB3 -0.71 -0.04 0.05 -0.04 3.06 2.32 2ba9A1 PHE 90 HD2 -0.17 0.01 -0.00 -0.04 7.28 7.07 2ba9A1 PHE 90 HE2 -0.18 -0.00 -0.03 -0.04 7.38 7.12 2ba9A1 PHE 90 HZ -0.34 0.03 -0.04 -0.04 7.32 6.93 2ba9A1 LEU 91 H 0.06 0.74 0.46 -0.55 8.37 9.08 2ba9A1 LEU 91 HA 0.13 0.28 0.87 -0.75 4.35 4.87 2ba9A1 LEU 91 HB2 -0.20 0.00 -0.04 -0.04 1.64 1.36 2ba9A1 LEU 91 HB3 -0.12 0.04 -0.10 -0.04 1.64 1.43 2ba9A1 LEU 91 HG -0.15 -0.10 -0.23 -0.04 1.64 1.12 2ba9A1 LEU 91 HD13 -0.33 0.01 -0.15 -0.04 0.93 0.41 2ba9A1 LEU 91 HD23 0.04 0.05 -0.24 -0.04 0.89 0.70 2ba9A1 HIS 92 H 0.19 0.64 0.21 -0.55 8.41 8.91 2ba9A1 HIS 92 HA 0.10 0.05 0.78 -0.75 4.63 4.80 2ba9A1 HIS 92 HB2 0.01 -0.00 0.14 -0.04 3.26 3.37 2ba9A1 HIS 92 HB3 -0.02 -0.11 0.15 -0.04 3.20 3.18 2ba9A1 HIS 92 HD2 -0.19 0.08 -0.11 -0.04 6.97 6.70 2ba9A1 HIS 92 HE1 -0.60 -0.02 -0.04 -0.04 7.75 7.04 2ba9A1 GLU 93 H 0.18 0.12 0.13 -0.55 8.60 8.49 2ba9A1 GLU 93 HA 0.26 0.18 0.33 -0.75 4.29 4.31 2ba9A1 GLU 93 HB2 0.02 0.10 0.06 -0.04 2.09 2.23 2ba9A1 GLU 93 HB3 0.08 -0.06 0.02 -0.04 1.99 1.99 2ba9A1 GLU 93 HG2 0.05 -0.12 0.05 -0.04 2.34 2.28 2ba9A1 GLU 93 HG3 0.03 0.08 -0.22 -0.04 2.34 2.18 2ba9A1 ASP 94 H 0.15 -0.08 -0.41 -0.55 8.40 7.52 2ba9A1 ASP 94 HA 0.11 0.25 0.76 -0.75 4.63 4.99 2ba9A1 ASP 94 HB2 0.05 0.09 0.13 -0.04 2.71 2.93 2ba9A1 ASP 94 HB3 0.04 -0.04 0.02 -0.04 2.70 2.68 2ba9A1 GLY 95 H 0.28 0.48 -0.35 -0.55 8.43 8.29 2ba9A1 GLY 95 HA2 0.29 0.04 0.18 -0.51 4.01 4.01 2ba9A1 GLY 95 HA3 0.26 0.37 0.41 -0.51 4.01 4.54 2ba9A1 GLU 96 H 0.17 -0.10 -0.28 -0.55 8.60 7.84 2ba9A1 GLU 96 HA 0.12 0.14 0.57 -0.75 4.29 4.37 2ba9A1 GLU 96 HB2 0.11 0.02 0.02 -0.04 2.09 2.20 2ba9A1 GLU 96 HB3 0.25 -0.16 0.06 -0.04 1.99 2.10 2ba9A1 GLU 96 HG2 0.16 0.24 -0.11 -0.04 2.34 2.59 2ba9A1 GLU 96 HG3 0.09 0.03 0.04 -0.04 2.34 2.46 2ba9A1 ILE 97 H 0.11 0.16 0.25 -0.55 8.25 8.23 2ba9A1 ILE 97 HA 0.12 0.27 0.78 -0.75 4.18 4.60 2ba9A1 ILE 97 HB 0.08 -0.06 0.18 -0.04 1.89 2.05 2ba9A1 ILE 97 HG12 0.05 -0.00 0.03 -0.04 1.49 1.53 2ba9A1 ILE 97 HG13 0.08 0.10 0.08 -0.04 1.21 1.43 2ba9A1 ILE 97 HG23 0.05 -0.02 -0.04 -0.04 0.93 0.88 2ba9A1 ILE 97 HD13 0.06 -0.00 0.05 -0.04 0.88 0.94 2ba9A1 TYR 98 H 0.10 0.79 0.42 -0.55 8.29 9.06 2ba9A1 TYR 98 HA 0.04 0.11 0.47 -0.75 4.56 4.42 2ba9A1 TYR 98 HB2 0.05 -0.07 0.03 -0.04 3.06 3.02 2ba9A1 TYR 98 HB3 0.08 0.09 -0.23 -0.04 2.98 2.88 2ba9A1 TYR 98 HD2 -0.15 0.08 -0.25 -0.04 7.15 6.79 2ba9A1 TYR 98 HE2 -0.24 0.05 -0.37 -0.04 6.85 6.25 2ba9A1 VAL 99 H 0.10 0.19 0.05 -0.55 8.24 8.03 2ba9A1 VAL 99 HA -0.13 0.24 0.84 -0.75 4.13 4.33 2ba9A1 VAL 99 HB 0.01 -0.03 0.18 -0.04 2.12 2.24 2ba9A1 VAL 99 HG13 -0.02 -0.01 -0.02 -0.04 0.97 0.88 2ba9A1 VAL 99 HG23 0.02 0.03 -0.08 -0.04 0.95 0.89 2ba9A1 PRO 100 HA 0.01 0.04 0.34 -0.51 4.44 4.32 2ba9A1 PRO 100 HB2 -0.28 0.06 -0.02 -0.04 2.28 1.99 2ba9A1 PRO 100 HB3 -0.20 0.01 0.07 -0.04 2.02 1.86 2ba9A1 PRO 100 HG2 -0.91 0.08 0.07 -0.04 2.03 1.23 2ba9A1 PRO 100 HG3 -1.16 0.06 0.05 -0.04 2.03 0.94 2ba9A1 PRO 100 HD2 -0.38 0.14 0.26 -0.04 3.68 3.67 2ba9A1 PRO 100 HD3 -0.90 0.27 0.04 -0.04 3.65 3.02 2ba9A1 GLU 101 H -0.14 0.15 -0.28 -0.55 8.60 7.77 2ba9A1 GLU 101 HA -0.06 0.05 0.28 -0.75 4.29 3.80 2ba9A1 GLU 101 HB2 -0.05 0.02 -0.04 -0.04 2.09 1.98 2ba9A1 GLU 101 HB3 -0.04 0.04 0.05 -0.04 1.99 2.00 2ba9A1 GLU 101 HG2 -0.06 0.08 0.01 -0.04 2.34 2.33 2ba9A1 GLU 101 HG3 -0.11 -0.03 0.00 -0.04 2.34 2.17 2ba9A1 LYS 102 H -0.02 0.38 -0.47 -0.55 8.42 7.76 2ba9A1 LYS 102 HA -0.00 0.20 0.75 -0.75 4.32 4.52 2ba9A1 LYS 102 HB2 0.02 0.05 0.08 -0.04 1.87 1.97 2ba9A1 LYS 102 HB3 0.01 -0.01 0.14 -0.04 1.79 1.89 2ba9A1 LYS 102 HG2 -0.01 -0.01 -0.35 -0.04 1.46 1.05 2ba9A1 LYS 102 HG3 -0.00 -0.02 -0.05 -0.04 1.46 1.35 2ba9A1 LYS 102 HD2 0.01 -0.00 -0.01 -0.04 1.69 1.65 2ba9A1 LYS 102 HD3 0.01 0.00 0.01 -0.04 1.68 1.66 2ba9A1 LYS 102 HE2 0.00 -0.00 -0.02 -0.04 2.99 2.93 2ba9A1 LYS 102 HE3 -0.00 0.04 -0.07 -0.04 2.99 2.91 2ba9A1 ASP 103 H 0.01 0.48 -0.13 -0.55 8.40 8.21 2ba9A1 ASP 103 HA 0.04 0.12 0.57 -0.75 4.63 4.60 2ba9A1 ASP 103 HB2 0.05 0.14 0.20 -0.04 2.71 3.05 2ba9A1 ASP 103 HB3 0.02 -0.15 0.20 -0.04 2.70 2.73 2ba9A1 PRO 104 HA 0.01 0.15 0.30 -0.51 4.44 4.38 2ba9A1 PRO 104 HB2 0.01 -0.01 -0.00 -0.04 2.28 2.23 2ba9A1 PRO 104 HB3 0.01 0.06 0.10 -0.04 2.02 2.15 2ba9A1 PRO 104 HG2 0.01 0.02 0.12 -0.04 2.03 2.14 2ba9A1 PRO 104 HG3 0.01 0.14 0.15 -0.04 2.03 2.30 2ba9A1 PRO 104 HD2 0.02 -0.02 0.24 -0.04 3.68 3.88 2ba9A1 PRO 104 HD3 0.03 0.25 0.38 -0.04 3.65 4.26 2ba9A1 VAL 105 H 0.01 0.02 -0.10 -0.55 8.24 7.62 2ba9A1 VAL 105 HA 0.01 0.23 0.77 -0.75 4.13 4.37 2ba9A1 VAL 105 HB 0.01 -0.07 0.07 -0.04 2.12 2.10 2ba9A1 VAL 105 HG13 0.00 0.01 -0.07 -0.04 0.97 0.87 2ba9A1 VAL 105 HG23 0.01 0.02 -0.00 -0.04 0.95 0.93 2ba9A1 ARG 106 H 0.01 0.01 -0.05 -0.55 8.46 7.88 2ba9A1 ARG 106 HA 0.01 0.08 0.39 -0.75 4.34 4.06 2ba9A1 ARG 106 HB2 0.02 -0.00 0.08 -0.04 1.90 1.96 2ba9A1 ARG 106 HB3 0.02 0.05 0.10 -0.04 1.80 1.92 2ba9A1 ARG 106 HG2 0.03 0.02 -0.00 -0.04 1.67 1.68 2ba9A1 ARG 106 HG3 0.01 0.03 -0.11 -0.04 1.67 1.56 2ba9A1 ARG 106 HD2 0.02 -0.10 0.12 -0.04 3.22 3.21 2ba9A1 ARG 106 HD3 0.02 0.03 0.02 -0.04 3.22 3.25 2ba9A1 GLY 107 H 0.01 0.39 -0.12 -0.55 8.43 8.16 2ba9A1 GLY 107 HA2 -0.01 -0.04 0.29 -0.51 4.01 3.74 2ba9A1 GLY 107 HA3 -0.00 0.28 0.26 -0.51 4.01 4.03 2ba9A1 PRO 108 HA 0.00 0.05 0.50 -0.51 4.44 4.48 2ba9A1 PRO 108 HB2 0.00 0.04 -0.07 -0.04 2.28 2.21 2ba9A1 PRO 108 HB3 0.00 0.01 0.07 -0.04 2.02 2.05 2ba9A1 PRO 108 HG2 0.00 0.18 0.06 -0.04 2.03 2.22 2ba9A1 PRO 108 HG3 0.00 0.01 0.02 -0.04 2.03 2.02 2ba9A1 PRO 108 HD2 0.00 0.16 -0.64 -0.04 3.68 3.16 2ba9A1 PRO 108 HD3 0.00 0.20 -0.09 -0.04 3.65 3.73 2ba9A1 GLN 109 H 0.00 0.35 -0.40 -0.55 8.47 7.87 2ba9A1 GLN 109 HA -0.00 0.07 0.53 -0.75 4.36 4.20 2ba9A1 GLN 109 HB2 0.01 0.15 0.22 -0.04 2.15 2.48 2ba9A1 GLN 109 HB3 -0.00 -0.12 0.02 -0.04 2.02 1.87 2ba9A1 GLN 109 HG2 -0.00 -0.04 0.03 -0.04 2.40 2.35 2ba9A1 GLN 109 HG3 -0.00 0.10 0.04 -0.04 2.39 2.49 2ba9A1 GLN 109 HE21 0.00 -0.07 -0.07 -0.04 6.97 6.79 2ba9A1 GLN 109 HE22 -0.00 0.02 -0.01 -0.04 7.69 7.66 2ba9A1 VAL 110 H 0.01 0.62 0.03 -0.55 8.24 8.35 2ba9A1 VAL 110 HA 0.03 -0.05 0.25 -0.75 4.13 3.61 2ba9A1 VAL 110 HB 0.01 0.19 0.13 -0.04 2.12 2.40 2ba9A1 VAL 110 HG13 0.04 -0.01 -0.14 -0.04 0.97 0.82 2ba9A1 VAL 110 HG23 0.02 0.06 0.03 -0.04 0.95 1.02 2ba9A1 MET 111 H 0.01 0.55 -0.15 -0.55 8.47 8.33 2ba9A1 MET 111 HA 0.04 -0.01 0.25 -0.75 4.52 4.05 2ba9A1 MET 111 HB2 0.01 0.07 0.10 -0.04 2.15 2.30 2ba9A1 MET 111 HB3 0.02 -0.02 0.01 -0.04 2.03 2.00 2ba9A1 MET 111 HG2 0.00 0.10 0.06 -0.04 2.63 2.75 2ba9A1 MET 111 HG3 0.00 0.02 -0.01 -0.04 2.56 2.53 2ba9A1 MET 111 HE3 0.00 -0.01 -0.12 -0.04 2.10 1.92 2ba9A1 ALA 112 H 0.01 0.41 -0.38 -0.55 8.40 7.90 2ba9A1 ALA 112 HA 0.01 0.03 0.52 -0.75 4.34 4.15 2ba9A1 ALA 112 HB3 -0.01 0.03 0.15 -0.04 1.41 1.55 2ba9A1 ALA 113 H 0.01 0.58 -0.02 -0.55 8.40 8.42 2ba9A1 ALA 113 HA -0.03 0.07 0.46 -0.75 4.34 4.09 2ba9A1 ALA 113 HB3 -0.02 0.03 0.06 -0.04 1.41 1.43 2ba9A1 VAL 114 H 0.09 0.74 -0.09 -0.55 8.24 8.42 2ba9A1 VAL 114 HA 0.29 -0.02 0.39 -0.75 4.13 4.03 2ba9A1 VAL 114 HB 0.13 0.10 0.06 -0.04 2.12 2.38 2ba9A1 VAL 114 HG13 0.24 -0.01 -0.16 -0.04 0.97 1.00 2ba9A1 VAL 114 HG23 0.24 0.03 0.01 -0.04 0.95 1.18 2ba9A1 GLN 115 H 0.09 0.50 -0.20 -0.55 8.47 8.33 2ba9A1 GLN 115 HA 0.12 0.01 0.54 -0.75 4.36 4.28 2ba9A1 GLN 115 HB2 0.06 0.00 0.13 -0.04 2.15 2.30 2ba9A1 GLN 115 HB3 0.03 0.18 0.22 -0.04 2.02 2.41 2ba9A1 GLN 115 HG2 0.00 0.01 -0.02 -0.04 2.40 2.35 2ba9A1 GLN 115 HG3 -0.01 -0.03 -0.30 -0.04 2.39 2.02 2ba9A1 GLN 115 HE21 -0.01 -0.00 -0.01 -0.04 6.97 6.91 2ba9A1 GLN 115 HE22 -0.02 -0.00 -0.03 -0.04 7.69 7.60 2ba9A1 LYS 116 H 0.01 0.62 -0.03 -0.55 8.42 8.46 2ba9A1 LYS 116 HA -0.05 0.01 0.45 -0.75 4.32 3.98 2ba9A1 LYS 116 HB2 -0.04 0.10 0.15 -0.04 1.87 2.04 2ba9A1 LYS 116 HB3 -0.06 0.04 0.13 -0.04 1.79 1.86 2ba9A1 LYS 116 HG2 -0.08 -0.06 -0.03 -0.04 1.46 1.25 2ba9A1 LYS 116 HG3 -0.06 -0.04 0.06 -0.04 1.46 1.38 2ba9A1 LYS 116 HD2 -0.06 -0.05 0.01 -0.04 1.69 1.55 2ba9A1 LYS 116 HD3 -0.08 0.04 -0.02 -0.04 1.68 1.59 2ba9A1 LYS 116 HE2 -0.11 0.04 0.02 -0.04 2.99 2.90 2ba9A1 LYS 116 HE3 -0.08 -0.10 0.01 -0.04 2.99 2.77 2ba9A1 LEU 117 H -0.01 0.75 -0.07 -0.55 8.37 8.49 2ba9A1 LEU 117 HA -0.10 0.00 0.42 -0.75 4.35 3.92 2ba9A1 LEU 117 HB2 -0.15 0.04 0.10 -0.04 1.64 1.59 2ba9A1 LEU 117 HB3 0.06 0.10 0.13 -0.04 1.64 1.89 2ba9A1 LEU 117 HG -0.09 -0.03 -0.22 -0.04 1.64 1.26 2ba9A1 LEU 117 HD13 -0.14 -0.02 -0.04 -0.04 0.93 0.70 2ba9A1 LEU 117 HD23 -0.83 -0.01 -0.07 -0.04 0.89 -0.06 2ba9A1 GLY 118 H 0.08 0.57 -0.18 -0.55 8.43 8.35 2ba9A1 GLY 118 HA2 -0.41 -0.07 0.36 -0.51 4.01 3.38 2ba9A1 GLY 118 HA3 -0.76 0.09 0.33 -0.51 4.01 3.17 2ba9A1 GLN 119 H -0.13 0.47 -0.32 -0.55 8.47 7.94 2ba9A1 GLN 119 HA -0.14 0.02 0.40 -0.75 4.36 3.89 2ba9A1 GLN 119 HB2 -0.08 0.13 0.17 -0.04 2.15 2.32 2ba9A1 GLN 119 HB3 -0.08 -0.05 0.04 -0.04 2.02 1.88 2ba9A1 GLN 119 HG2 -0.11 0.14 0.07 -0.04 2.40 2.46 2ba9A1 GLN 119 HG3 -0.07 -0.02 0.02 -0.04 2.39 2.28 2ba9A1 GLN 119 HE21 -0.10 -0.01 -0.04 -0.04 6.97 6.77 2ba9A1 GLN 119 HE22 -0.18 -0.02 -0.14 -0.04 7.69 7.30 2ba9A1 LEU 120 H -0.09 0.58 -0.03 -0.55 8.37 8.28 2ba9A1 LEU 120 HA -0.12 -0.05 0.60 -0.75 4.35 4.03 2ba9A1 LEU 120 HB2 -0.04 0.15 0.19 -0.04 1.64 1.90 2ba9A1 LEU 120 HB3 -0.00 -0.09 -0.01 -0.04 1.64 1.50 2ba9A1 LEU 120 HG -0.10 0.08 0.09 -0.04 1.64 1.66 2ba9A1 LEU 120 HD13 -0.13 -0.00 -0.06 -0.04 0.93 0.70 2ba9A1 LEU 120 HD23 -0.17 -0.02 0.05 -0.04 0.89 0.70 2ba9A1 LEU 121 H -0.07 0.70 -0.15 -0.55 8.37 8.30 2ba9A1 LEU 121 HA -0.05 -0.01 0.34 -0.75 4.35 3.87 2ba9A1 LEU 121 HB2 -0.10 0.17 0.10 -0.04 1.64 1.77 2ba9A1 LEU 121 HB3 -0.33 -0.09 -0.02 -0.04 1.64 1.17 2ba9A1 LEU 121 HG -0.13 0.17 -0.04 -0.04 1.64 1.60 2ba9A1 LEU 121 HD13 -0.01 -0.03 -0.06 -0.04 0.93 0.79 2ba9A1 LEU 121 HD23 -0.78 -0.02 -0.06 -0.04 0.89 -0.01 2ba9A1 ALA 122 H -0.06 0.34 -0.41 -0.55 8.40 7.73 2ba9A1 ALA 122 HA 0.07 0.01 0.40 -0.75 4.34 4.06 2ba9A1 ALA 122 HB3 -0.05 0.03 0.10 -0.04 1.41 1.45 2ba9A1 THR 123 H -0.04 0.18 -0.43 -0.55 8.28 7.44 2ba9A1 THR 123 HA -0.02 0.19 0.90 -0.75 4.39 4.70 2ba9A1 THR 123 HB -0.07 -0.01 0.06 -0.04 4.32 4.27 2ba9A1 THR 123 HG23 -0.04 -0.01 -0.12 -0.04 1.22 1.01 2ba9A1 LYS 124 H -0.17 0.15 0.23 -0.55 8.42 8.07 2ba9A1 LYS 124 HA -0.20 0.04 0.38 -0.75 4.32 3.78 2ba9A1 LYS 124 HB2 -0.31 -0.02 0.19 -0.04 1.87 1.69 2ba9A1 LYS 124 HB3 -0.62 0.06 0.16 -0.04 1.79 1.35 2ba9A1 LYS 124 HG2 -1.27 -0.02 -0.14 -0.04 1.46 -0.01 2ba9A1 LYS 124 HG3 -0.38 -0.01 0.08 -0.04 1.46 1.12 2ba9A1 LYS 124 HD2 -0.30 0.01 0.03 -0.04 1.69 1.38 2ba9A1 LYS 124 HD3 -0.59 0.00 -0.01 -0.04 1.68 1.03 2ba9A1 LYS 124 HE2 -0.52 -0.06 -0.04 -0.04 2.99 2.33 2ba9A1 LYS 124 HE3 -0.20 -0.00 -0.00 -0.04 2.99 2.75 2ba9A1 TYR 125 H -0.10 0.39 -0.27 -0.55 8.29 7.75 2ba9A1 TYR 125 HA 0.01 0.17 0.84 -0.75 4.56 4.83 2ba9A1 TYR 125 HB2 -0.14 0.02 0.01 -0.04 3.06 2.91 2ba9A1 TYR 125 HB3 -0.04 -0.09 0.14 -0.04 2.98 2.95 2ba9A1 TYR 125 HD2 -0.18 0.01 -0.18 -0.04 7.15 6.75 2ba9A1 TYR 125 HE2 -0.63 -0.05 -0.10 -0.04 6.85 6.03 2ba9A1 GLN 126 H 0.07 0.48 -0.33 -0.55 8.47 8.14 2ba9A1 GLN 126 HA 0.19 0.05 0.42 -0.75 4.36 4.26 2ba9A1 GLN 126 HB2 0.05 0.17 0.03 -0.04 2.15 2.36 2ba9A1 GLN 126 HB3 0.05 0.01 0.09 -0.04 2.02 2.13 2ba9A1 GLN 126 HG2 0.04 -0.03 -0.18 -0.04 2.40 2.18 2ba9A1 GLN 126 HG3 0.05 -0.13 0.05 -0.04 2.39 2.32 2ba9A1 GLN 126 HE21 0.01 -0.02 0.02 -0.04 6.97 6.94 2ba9A1 GLN 126 HE22 0.01 -0.04 -0.01 -0.04 7.69 7.61 2ba9A1 GLY 127 H 0.06 0.08 0.20 -0.55 8.43 8.21 2ba9A1 GLY 127 HA2 -0.04 -0.03 0.36 -0.51 4.01 3.79 2ba9A1 GLY 127 HA3 0.02 0.25 0.73 -0.51 4.01 4.50 2ba9A1 TYR 128 H 0.28 0.62 -0.15 -0.55 8.29 8.49 2ba9A1 TYR 128 HA -0.07 0.03 0.39 -0.75 4.56 4.16 2ba9A1 TYR 128 HB2 -0.15 -0.08 0.02 -0.04 3.06 2.81 2ba9A1 TYR 128 HB3 -0.01 0.21 0.16 -0.04 2.98 3.30 2ba9A1 TYR 128 HD2 -0.04 0.13 -0.16 -0.04 7.15 7.03 2ba9A1 TYR 128 HE2 0.03 0.09 -0.03 -0.04 6.85 6.90 2ba9A1 ASP 129 H -0.75 -0.08 -0.49 -0.55 8.40 6.54 2ba9A1 ASP 129 HA -0.44 0.24 0.41 -0.75 4.63 4.08 2ba9A1 ASP 129 HB2 -0.35 -0.01 0.14 -0.04 2.71 2.44 2ba9A1 ASP 129 HB3 -1.22 -0.04 0.03 -0.04 2.70 1.43 2ba9A1 ALA 130 H -0.23 0.44 -0.23 -0.55 8.40 7.83 2ba9A1 ALA 130 HA -0.14 -0.11 0.46 -0.75 4.34 3.80 2ba9A1 ALA 130 HB3 -0.17 0.01 0.06 -0.04 1.41 1.27 2ba9A1 ASN 131 H -0.16 -0.01 0.19 -0.55 8.53 7.99 2ba9A1 ASN 131 HA -0.13 0.05 0.58 -0.75 4.76 4.51 2ba9A1 ASN 131 HB2 -0.34 -0.02 0.13 -0.04 2.88 2.61 2ba9A1 ASN 131 HB3 -0.46 -0.01 0.10 -0.04 2.79 2.38 2ba9A1 ASN 131 HD21 0.10 0.25 0.15 -0.04 7.03 7.49 2ba9A1 ASN 131 HD22 -0.00 -0.02 0.09 -0.04 7.74 7.77 2ba9A1 GLY 132 H -0.02 -0.02 0.17 -0.55 8.43 8.02 2ba9A1 GLY 132 HA2 0.21 0.22 0.54 -0.51 4.01 4.48 2ba9A1 GLY 132 HA3 0.20 -0.01 0.50 -0.51 4.01 4.19 2ba9A1 HIS 133 H 0.20 0.12 0.18 -0.55 8.41 8.37 2ba9A1 HIS 133 HA -0.18 0.33 0.76 -0.75 4.63 4.79 2ba9A1 HIS 133 HB2 -0.64 -0.04 -0.02 -0.04 3.26 2.52 2ba9A1 HIS 133 HB3 -0.38 -0.06 0.05 -0.04 3.20 2.77 2ba9A1 HIS 133 HD2 -0.15 0.14 -0.24 -0.04 6.97 6.67 2ba9A1 HIS 133 HE1 -0.52 -0.12 -0.24 -0.04 7.75 6.82 2ba9A1 TYR 134 H -0.21 0.08 0.02 -0.55 8.29 7.63 2ba9A1 TYR 134 HA 0.15 0.08 0.28 -0.75 4.56 4.32 2ba9A1 TYR 134 HB2 0.11 0.06 0.02 -0.04 3.06 3.20 2ba9A1 TYR 134 HB3 0.20 -0.01 0.08 -0.04 2.98 3.21 2ba9A1 TYR 134 HD2 0.15 -0.02 -0.08 -0.04 7.15 7.16 2ba9A1 TYR 134 HE2 -0.07 -0.03 -0.06 -0.04 6.85 6.65 2ba9A1 ASN 135 H -0.42 0.10 -0.33 -0.55 8.53 7.34 2ba9A1 ASN 135 HA 0.05 0.09 0.74 -0.75 4.76 4.88 2ba9A1 ASN 135 HB2 -0.16 0.05 -0.01 -0.04 2.88 2.72 2ba9A1 ASN 135 HB3 -0.03 0.03 -0.05 -0.04 2.79 2.70 2ba9A1 ASN 135 HD21 0.15 0.00 -0.07 -0.04 7.03 7.08 2ba9A1 ASN 135 HD22 0.08 0.04 -0.02 -0.04 7.74 7.79 2ba9A1 LYS 136 H 0.06 0.13 -0.02 -0.55 8.42 8.03 2ba9A1 LYS 136 HA 0.10 0.05 0.23 -0.75 4.32 3.95 2ba9A1 LYS 136 HB2 0.08 0.02 0.07 -0.04 1.87 2.00 2ba9A1 LYS 136 HB3 0.06 -0.04 0.06 -0.04 1.79 1.84 2ba9A1 LYS 136 HG2 0.10 0.16 -0.15 -0.04 1.46 1.53 2ba9A1 LYS 136 HG3 0.11 -0.04 -0.01 -0.04 1.46 1.48 2ba9A1 LYS 136 HD2 0.06 -0.01 -0.01 -0.04 1.69 1.69 2ba9A1 LYS 136 HD3 0.05 -0.03 -0.06 -0.04 1.68 1.61 2ba9A1 LYS 136 HE2 0.07 0.02 -0.04 -0.04 2.99 3.00 2ba9A1 LYS 136 HE3 0.09 0.01 -0.01 -0.04 2.99 3.03 2ba9A1 VAL 137 H 0.14 0.06 0.12 -0.55 8.24 8.01 2ba9A1 VAL 137 HA 0.08 0.14 0.39 -0.75 4.13 3.98 2ba9A1 VAL 137 HB 0.04 -0.09 0.06 -0.04 2.12 2.09 2ba9A1 VAL 137 HG13 -0.01 0.04 0.00 -0.04 0.97 0.96 2ba9A1 VAL 137 HG23 0.08 0.00 -0.17 -0.04 0.95 0.82 2ba9A1 HIS 138 H 0.22 0.15 0.10 -0.55 8.41 8.33 2ba9A1 HIS 138 HA 0.10 0.09 0.47 -0.75 4.63 4.54 2ba9A1 HIS 138 HB2 0.22 0.17 0.16 -0.04 3.26 3.77 2ba9A1 HIS 138 HB3 0.23 -0.12 0.06 -0.04 3.20 3.33 2ba9A1 HIS 138 HD2 0.05 0.20 0.10 -0.04 6.97 7.28 2ba9A1 HIS 138 HE1 0.12 0.03 0.01 -0.04 7.75 7.86 2ba9A1 GLU 139 H -0.20 0.18 0.17 -0.55 8.60 8.20 2ba9A1 GLU 139 HA 0.09 0.14 0.25 -0.75 4.29 4.02 2ba9A1 GLU 139 HB2 0.06 0.03 0.06 -0.04 2.09 2.19 2ba9A1 GLU 139 HB3 -0.01 0.07 0.14 -0.04 1.99 2.15 2ba9A1 GLU 139 HG2 0.02 -0.14 0.09 -0.04 2.34 2.27 2ba9A1 GLU 139 HG3 0.11 0.01 -0.14 -0.04 2.34 2.28 2ba9A1 ASP 140 H 0.76 0.10 -0.28 -0.55 8.40 8.43 2ba9A1 ASP 140 HA 0.15 0.07 0.35 -0.75 4.63 4.45 2ba9A1 ASP 140 HB2 0.21 0.01 -0.03 -0.04 2.71 2.86 2ba9A1 ASP 140 HB3 0.17 0.03 -0.02 -0.04 2.70 2.84 2ba9A1 LEU 141 H 0.08 0.46 -0.37 -0.55 8.37 7.99 2ba9A1 LEU 141 HA -0.43 0.02 0.38 -0.75 4.35 3.58 2ba9A1 LEU 141 HB2 -0.10 0.22 -0.03 -0.04 1.64 1.69 2ba9A1 LEU 141 HB3 -0.30 -0.07 -0.01 -0.04 1.64 1.22 2ba9A1 LEU 141 HG -0.34 -0.08 -0.06 -0.04 1.64 1.11 2ba9A1 LEU 141 HD13 -0.02 0.01 0.02 -0.04 0.93 0.90 2ba9A1 LEU 141 HD23 -0.92 0.00 -0.13 -0.04 0.89 -0.19 2ba9A1 MET 142 H -0.03 0.47 -0.47 -0.55 8.47 7.89 2ba9A1 MET 142 HA -0.44 0.02 0.58 -0.75 4.52 3.92 2ba9A1 MET 142 HB2 0.05 0.19 0.07 -0.04 2.15 2.42 2ba9A1 MET 142 HB3 0.09 -0.06 0.06 -0.04 2.03 2.08 2ba9A1 MET 142 HG2 0.08 -0.05 -0.13 -0.04 2.63 2.48 2ba9A1 MET 142 HG3 0.07 0.07 -0.12 -0.04 2.56 2.54 2ba9A1 MET 142 HE3 0.19 -0.00 -0.09 -0.04 2.10 2.16 2ba9A1 LEU 143 H -0.03 0.33 -0.31 -0.55 8.37 7.82 2ba9A1 LEU 143 HA 0.03 0.09 0.60 -0.75 4.35 4.32 2ba9A1 LEU 143 HB2 0.05 0.17 0.08 -0.04 1.64 1.90 2ba9A1 LEU 143 HB3 0.04 -0.04 0.01 -0.04 1.64 1.61 2ba9A1 LEU 143 HG 0.05 0.05 -0.01 -0.04 1.64 1.69 2ba9A1 LEU 143 HD13 0.04 -0.01 -0.06 -0.04 0.93 0.86 2ba9A1 LEU 143 HD23 0.04 -0.01 -0.02 -0.04 0.89 0.87 2ba9A1 PRO 144 HA 0.11 0.19 0.03 -0.51 4.44 4.26 2ba9A1 PRO 144 HB2 0.10 -0.13 -0.10 -0.04 2.28 2.11 2ba9A1 PRO 144 HB3 0.14 -0.06 -0.47 -0.04 2.02 1.59 2ba9A1 PRO 144 HG2 0.08 0.08 0.11 -0.04 2.03 2.26 2ba9A1 PRO 144 HG3 0.09 0.09 0.12 -0.04 2.03 2.29 2ba9A1 PRO 144 HD2 0.05 0.05 0.20 -0.04 3.68 3.94 2ba9A1 PRO 144 HD3 0.06 0.13 0.23 -0.04 3.65 4.03 2ba9A1 PHE 145 H 0.19 0.55 0.16 -0.55 8.34 8.69 2ba9A1 PHE 145 HA -0.22 0.05 0.28 -0.75 4.62 3.97 2ba9A1 PHE 145 HB2 -0.34 0.15 0.08 -0.04 3.15 3.00 2ba9A1 PHE 145 HB3 -0.43 -0.10 0.12 -0.04 3.06 2.61 2ba9A1 PHE 145 HD2 -1.47 -0.04 -0.02 -0.04 7.28 5.71 2ba9A1 PHE 145 HE2 -0.86 0.01 -0.10 -0.04 7.38 6.38 2ba9A1 PHE 145 HZ -1.69 0.04 -0.11 -0.04 7.32 5.52 2ba9A1 ASP 146 H 0.12 0.54 -0.12 -0.55 8.40 8.39 2ba9A1 ASP 146 HA -0.19 0.03 0.38 -0.75 4.63 4.10 2ba9A1 ASP 146 HB2 0.10 0.09 -0.06 -0.04 2.71 2.79 2ba9A1 ASP 146 HB3 0.03 0.02 -0.10 -0.04 2.70 2.60 2ba9A1 GLU 147 H 0.01 0.22 -0.27 -0.55 8.60 8.01 2ba9A1 GLU 147 HA -0.04 0.03 0.50 -0.75 4.29 4.02 2ba9A1 GLU 147 HB2 0.02 0.16 0.09 -0.04 2.09 2.32 2ba9A1 GLU 147 HB3 0.00 0.01 -0.02 -0.04 1.99 1.95 2ba9A1 GLU 147 HG2 0.01 -0.01 0.03 -0.04 2.34 2.34 2ba9A1 GLU 147 HG3 0.04 -0.04 0.03 -0.04 2.34 2.32 2ba9A1 PHE 148 H 0.02 0.61 -0.17 -0.55 8.34 8.25 2ba9A1 PHE 148 HA -0.19 0.04 0.42 -0.75 4.62 4.13 2ba9A1 PHE 148 HB2 -0.23 0.13 0.02 -0.04 3.15 3.03 2ba9A1 PHE 148 HB3 -0.38 0.09 0.08 -0.04 3.06 2.81 2ba9A1 PHE 148 HD2 -0.64 0.04 -0.22 -0.04 7.28 6.42 2ba9A1 PHE 148 HE2 -1.10 -0.02 -0.15 -0.04 7.38 6.06 2ba9A1 PHE 148 HZ -0.68 0.01 -0.13 -0.04 7.32 6.47 2ba9A1 LEU 149 H -0.36 0.57 -0.20 -0.55 8.37 7.84 2ba9A1 LEU 149 HA -0.64 0.05 0.32 -0.75 4.35 3.33 2ba9A1 LEU 149 HB2 -0.37 0.10 0.09 -0.04 1.64 1.41 2ba9A1 LEU 149 HB3 -0.35 -0.16 -0.45 -0.04 1.64 0.64 2ba9A1 LEU 149 HG -1.20 0.22 -0.02 -0.04 1.64 0.60 2ba9A1 LEU 149 HD13 -0.54 -0.01 -0.09 -0.04 0.93 0.25 2ba9A1 LEU 149 HD23 -0.67 0.01 -0.10 -0.04 0.89 0.09 2ba9A1 ALA 150 H -0.20 0.70 -0.11 -0.55 8.40 8.25 2ba9A1 ALA 150 HA -0.14 -0.12 0.41 -0.75 4.34 3.74 2ba9A1 ALA 150 HB3 -0.08 0.03 0.12 -0.04 1.41 1.44 2ba9A1 LEU 151 H -0.20 0.58 -0.23 -0.55 8.37 7.97 2ba9A1 LEU 151 HA -0.10 0.01 0.40 -0.75 4.35 3.90 2ba9A1 LEU 151 HB2 -0.11 0.05 0.12 -0.04 1.64 1.66 2ba9A1 LEU 151 HB3 -0.23 0.15 0.07 -0.04 1.64 1.60 2ba9A1 LEU 151 HG -0.08 -0.00 -0.01 -0.04 1.64 1.51 2ba9A1 LEU 151 HD13 -0.03 -0.01 0.04 -0.04 0.93 0.89 2ba9A1 LEU 151 HD23 -0.01 -0.02 -0.01 -0.04 0.89 0.81 2ba9A1 ASN 152 H -0.32 0.32 -0.48 -0.55 8.53 7.51 2ba9A1 ASN 152 HA -0.17 0.16 0.75 -0.75 4.76 4.74 2ba9A1 ASN 152 HB2 -0.47 0.03 0.07 -0.04 2.88 2.48 2ba9A1 ASN 152 HB3 -0.25 -0.05 0.11 -0.04 2.79 2.56 2ba9A1 ASN 152 HD21 -0.37 -0.09 -0.09 -0.04 7.03 6.44 2ba9A1 ASN 152 HD22 -1.11 0.21 -0.05 -0.04 7.74 6.75 2ba9A1 GLY 153 H -0.15 0.44 -0.29 -0.55 8.43 7.89 2ba9A1 GLY 153 HA2 -0.10 -0.02 0.35 -0.51 4.01 3.72 2ba9A1 GLY 153 HA3 -0.10 0.05 0.47 -0.51 4.01 3.93 2ba9A1 CYS 154 H -0.21 0.62 -0.18 -0.55 8.50 8.17 2ba9A1 CYS 154 HA -0.12 0.20 0.87 -0.75 4.58 4.78 2ba9A1 CYS 154 HB2 -0.32 0.05 0.00 -0.04 2.97 2.66 2ba9A1 CYS 154 HB3 -0.22 -0.11 0.14 -0.04 2.97 2.74 2ba9A1 GLU 155 H -0.12 0.22 -0.26 -0.55 8.60 7.89 2ba9A1 GLU 155 HA -0.15 0.04 0.22 -0.75 4.29 3.65 2ba9A1 GLU 155 HB2 -0.05 0.03 0.01 -0.04 2.09 2.03 2ba9A1 GLU 155 HB3 -0.03 0.01 -0.07 -0.04 1.99 1.86 2ba9A1 GLU 155 HG2 -0.05 0.04 -0.01 -0.04 2.34 2.28 2ba9A1 GLU 155 HG3 -0.11 -0.01 -0.05 -0.04 2.34 2.14 2ba9A1 ALA 156 H -0.04 0.17 -0.29 -0.55 8.40 7.69 2ba9A1 ALA 156 HA 0.02 0.04 0.36 -0.75 4.34 4.01 2ba9A1 ALA 156 HB3 0.00 0.04 -0.15 -0.04 1.41 1.26 2ba9A1 ALA 157 H -0.05 0.56 -0.37 -0.55 8.40 8.00 2ba9A1 ALA 157 HA 0.14 0.06 0.43 -0.75 4.34 4.22 2ba9A1 ALA 157 HB3 -0.11 0.02 -0.04 -0.04 1.41 1.25 2ba9A1 ARG 158 H 0.04 0.49 -0.32 -0.55 8.46 8.11 2ba9A1 ARG 158 HA 0.37 0.00 0.29 -0.75 4.34 4.24 2ba9A1 ARG 158 HB2 0.50 -0.08 0.02 -0.04 1.90 2.30 2ba9A1 ARG 158 HB3 0.09 0.08 0.09 -0.04 1.80 2.02 2ba9A1 ARG 158 HG2 0.12 -0.00 0.00 -0.04 1.67 1.75 2ba9A1 ARG 158 HG3 0.20 -0.03 -0.32 -0.04 1.67 1.48 2ba9A1 ARG 158 HD2 0.07 0.11 -0.00 -0.04 3.22 3.36 2ba9A1 ARG 158 HD3 0.11 -0.02 -0.07 -0.04 3.22 3.20 2ba9A1 ASP 159 H 0.13 0.36 -0.27 -0.55 8.40 8.08 2ba9A1 ASP 159 HA 0.11 0.02 0.44 -0.75 4.63 4.45 2ba9A1 ASP 159 HB2 0.05 0.13 0.08 -0.04 2.71 2.93 2ba9A1 ASP 159 HB3 0.00 0.00 -0.04 -0.04 2.70 2.62 2ba9A1 LEU 160 H 0.17 0.30 -0.24 -0.55 8.37 8.06 2ba9A1 LEU 160 HA -0.04 0.12 0.63 -0.75 4.35 4.31 2ba9A1 LEU 160 HB2 0.03 -0.04 0.05 -0.04 1.64 1.64 2ba9A1 LEU 160 HB3 0.19 0.09 0.12 -0.04 1.64 2.00 2ba9A1 LEU 160 HG -0.32 0.01 -0.19 -0.04 1.64 1.09 2ba9A1 LEU 160 HD13 -0.13 0.00 -0.02 -0.04 0.93 0.74 2ba9A1 LEU 160 HD23 -0.33 -0.00 -0.09 -0.04 0.89 0.42 2ba9A1 TRP 161 H 0.52 0.38 0.02 -0.55 7.97 8.33 2ba9A1 TRP 161 HA -0.09 0.08 0.24 -0.75 4.62 4.09 2ba9A1 TRP 161 HB2 0.13 0.04 0.02 -0.04 3.23 3.37 2ba9A1 TRP 161 HB3 0.01 -0.05 -0.11 -0.04 3.23 3.05 2ba9A1 TRP 161 HD1 -0.52 -0.05 -0.06 -0.04 7.22 6.55 2ba9A1 TRP 161 HE1 -0.27 0.47 -0.01 -0.04 10.20 10.34 2ba9A1 TRP 161 HE3 0.01 0.17 0.02 -0.04 7.59 7.74 2ba9A1 TRP 161 HZ2 -0.00 0.02 -0.17 -0.04 7.44 7.24 2ba9A1 TRP 161 HZ3 0.01 -0.03 0.00 -0.04 7.13 7.07 2ba9A1 TRP 161 HH2 0.14 0.00 -0.05 -0.04 7.19 7.24 2ba9A1 ILE 162 H 0.33 0.43 -0.40 -0.55 8.25 8.07 2ba9A1 ILE 162 HA 0.09 -0.04 0.26 -0.75 4.18 3.74 2ba9A1 ILE 162 HB 0.28 0.15 0.11 -0.04 1.89 2.39 2ba9A1 ILE 162 HG12 -0.06 -0.05 0.00 -0.04 1.49 1.34 2ba9A1 ILE 162 HG13 -0.51 -0.09 0.11 -0.04 1.21 0.68 2ba9A1 ILE 162 HG23 0.12 0.03 -0.06 -0.04 0.93 0.98 2ba9A1 ILE 162 HD13 0.02 0.02 -0.04 -0.04 0.88 0.84 2ba9A1 ASN 163 H 0.06 0.34 -0.25 -0.55 8.53 8.14 2ba9A1 ASN 163 HA 0.21 -0.02 0.29 -0.75 4.76 4.48 2ba9A1 ASN 163 HB2 -0.05 0.15 0.07 -0.04 2.88 3.01 2ba9A1 ASN 163 HB3 -0.06 -0.01 0.00 -0.04 2.79 2.69 2ba9A1 ASN 163 HD21 -0.13 0.00 0.10 -0.04 7.03 6.96 2ba9A1 ASN 163 HD22 -0.03 0.06 0.10 -0.04 7.74 7.83 2ba9A1 PRO 164 HA -0.75 0.14 0.65 -0.51 4.44 3.97 2ba9A1 PRO 164 HB2 -1.11 0.00 -0.06 -0.04 2.28 1.08 2ba9A1 PRO 164 HB3 -1.98 0.01 0.04 -0.04 2.02 0.05 2ba9A1 PRO 164 HG2 -0.73 0.03 -0.04 -0.04 2.03 1.24 2ba9A1 PRO 164 HG3 -0.54 0.05 -0.05 -0.04 2.03 1.44 2ba9A1 PRO 164 HD2 -0.21 0.31 -0.25 -0.04 3.68 3.49 2ba9A1 PRO 164 HD3 -0.18 0.13 0.04 -0.04 3.65 3.60 2ba9A1 PHE 165 H 0.09 0.29 -0.71 -0.55 8.34 7.46 2ba9A1 PHE 165 HA 0.28 0.22 0.98 -0.75 4.62 5.35 2ba9A1 PHE 165 HB2 0.04 0.15 -0.06 -0.04 3.15 3.23 2ba9A1 PHE 165 HB3 -0.03 -0.09 0.13 -0.04 3.06 3.02 2ba9A1 PHE 165 HD2 -0.10 0.05 -0.15 -0.04 7.28 7.04 2ba9A1 PHE 165 HE2 0.01 0.00 -0.33 -0.04 7.38 7.01 2ba9A1 PHE 165 HZ -0.00 0.01 -0.17 -0.04 7.32 7.12 2ba9A1 THR 166 H 0.06 0.41 0.24 -0.55 8.28 8.44 2ba9A1 THR 166 HA -0.19 0.04 0.40 -0.75 4.39 3.90 2ba9A1 THR 166 HB -0.12 0.02 0.17 -0.04 4.32 4.35 2ba9A1 THR 166 HG23 -0.46 0.04 -0.09 -0.04 1.22 0.66 2ba9A1 ALA 167 H 0.09 0.27 -0.02 -0.55 8.40 8.19 2ba9A1 ALA 167 HA 0.05 0.06 0.41 -0.75 4.34 4.11 2ba9A1 ALA 167 HB3 0.18 0.10 0.03 -0.04 1.41 1.68 2ba9A1 PHE 168 H 0.28 0.11 -0.67 -0.55 8.34 7.50 2ba9A1 PHE 168 HA -0.14 0.10 0.44 -0.75 4.62 4.27 2ba9A1 PHE 168 HB2 0.00 0.16 -0.21 -0.04 3.15 3.06 2ba9A1 PHE 168 HB3 -0.26 -0.08 0.09 -0.04 3.06 2.77 2ba9A1 PHE 168 HD2 0.07 -0.05 -0.06 -0.04 7.28 7.20 2ba9A1 PHE 168 HE2 0.28 -0.03 -0.06 -0.04 7.38 7.53 2ba9A1 PHE 168 HZ 0.33 0.00 -0.07 -0.04 7.32 7.54 2ba9A1 GLY 169 H -0.38 0.40 -0.71 -0.55 8.43 7.20 2ba9A1 GLY 169 HA2 -0.82 0.03 0.17 -0.51 4.01 2.88 2ba9A1 GLY 169 HA3 -2.51 0.05 0.10 -0.51 4.01 1.15 2ba9A1 TYR 170 H -0.50 0.44 -0.17 -0.55 8.29 7.52 2ba9A1 TYR 170 HA -0.40 0.07 0.37 -0.75 4.56 3.85 2ba9A1 TYR 170 HB2 -1.84 0.07 -0.16 -0.04 3.06 1.09 2ba9A1 TYR 170 HB3 -1.65 -0.08 -0.00 -0.04 2.98 1.20 2ba9A1 TYR 170 HD2 -0.87 0.03 0.01 -0.04 7.15 6.28 2ba9A1 TYR 170 HE2 -0.54 0.03 0.06 -0.04 6.85 6.35 2ba9A1 GLY 171 H -0.18 0.11 -0.27 -0.55 8.43 7.54 2ba9A1 GLY 171 HA2 0.13 0.06 0.24 -0.51 4.01 3.93 2ba9A1 GLY 171 HA3 0.21 0.14 0.62 -0.51 4.01 4.47 2ba9A1 HIS 172 H 0.35 0.17 0.21 -0.55 8.41 8.59 2ba9A1 HIS 172 HA 0.05 0.23 0.73 -0.75 4.63 4.89 2ba9A1 HIS 172 HB2 0.31 -0.02 0.15 -0.04 3.26 3.66 2ba9A1 HIS 172 HB3 0.25 -0.08 0.08 -0.04 3.20 3.41 2ba9A1 HIS 172 HD2 0.09 0.07 0.04 -0.04 6.97 7.13 2ba9A1 HIS 172 HE1 0.12 0.06 -0.05 -0.04 7.75 7.82 2ba9A1 PHE 173 H 0.10 0.26 0.20 -0.55 8.34 8.35 2ba9A1 PHE 173 HA 0.17 0.16 0.38 -0.75 4.62 4.57 2ba9A1 PHE 173 HB2 0.19 0.05 0.09 -0.04 3.15 3.43 2ba9A1 PHE 173 HB3 0.22 -0.11 0.04 -0.04 3.06 3.18 2ba9A1 PHE 173 HD2 0.05 -0.00 -0.06 -0.04 7.28 7.22 2ba9A1 PHE 173 HE2 -0.69 0.07 -0.10 -0.04 7.38 6.63 2ba9A1 PHE 173 HZ -0.13 0.17 -0.37 -0.04 7.32 6.96 2ba9A1 ASP 174 H 0.34 0.10 -0.26 -0.55 8.40 8.03 2ba9A1 ASP 174 HA 0.19 0.06 0.53 -0.75 4.63 4.66 2ba9A1 ASP 174 HB2 0.18 0.07 0.09 -0.04 2.71 3.01 2ba9A1 ASP 174 HB3 0.22 -0.00 0.09 -0.04 2.70 2.97 2ba9A1 ASN 175 H 0.24 0.24 -0.20 -0.55 8.53 8.27 2ba9A1 ASN 175 HA 0.13 0.18 0.88 -0.75 4.76 5.19 2ba9A1 ASN 175 HB2 0.07 -0.01 0.08 -0.04 2.88 2.98 2ba9A1 ASN 175 HB3 0.06 0.02 -0.13 -0.04 2.79 2.69 2ba9A1 ASN 175 HD21 -0.08 -0.05 0.12 -0.04 7.03 6.99 2ba9A1 ASN 175 HD22 0.06 -0.11 -0.05 -0.04 7.74 7.60 2ba9A1 VAL 176 H 0.27 0.45 0.25 -0.55 8.24 8.65 2ba9A1 VAL 176 HA 0.25 0.14 0.43 -0.75 4.13 4.20 2ba9A1 VAL 176 HB 0.39 -0.11 -0.03 -0.04 2.12 2.33 2ba9A1 VAL 176 HG13 0.45 0.04 -0.19 -0.04 0.97 1.23 2ba9A1 VAL 176 HG23 0.27 0.05 0.04 -0.04 0.95 1.27 2ba9A1 PRO 177 HA 0.05 0.13 0.11 -0.51 4.44 4.22 2ba9A1 PRO 177 HB2 -0.09 -0.11 0.00 -0.04 2.28 2.05 2ba9A1 PRO 177 HB3 -0.16 0.18 -0.05 -0.04 2.02 1.94 2ba9A1 PRO 177 HG2 0.40 0.15 -0.02 -0.04 2.03 2.51 2ba9A1 PRO 177 HG3 0.17 -0.06 0.00 -0.04 2.03 2.11 2ba9A1 PRO 177 HD2 0.51 0.09 0.21 -0.04 3.68 4.45 2ba9A1 PRO 177 HD3 0.29 0.14 0.33 -0.04 3.65 4.36 2ba9A1 ALA 178 H -0.12 0.83 0.14 -0.55 8.40 8.71 2ba9A1 ALA 178 HA -0.13 -0.09 0.32 -0.75 4.34 3.69 2ba9A1 ALA 178 HB3 -0.60 0.01 0.09 -0.04 1.41 0.87 2ba9A1 ALA 179 H -0.37 0.48 -0.14 -0.55 8.40 7.83 2ba9A1 ALA 179 HA -0.26 0.04 0.29 -0.75 4.34 3.66 2ba9A1 ALA 179 HB3 -0.41 0.02 -0.04 -0.04 1.41 0.93 2ba9A1 TYR 180 H -0.09 0.31 -0.23 -0.55 8.29 7.73 2ba9A1 TYR 180 HA 0.22 0.14 0.57 -0.75 4.56 4.73 2ba9A1 TYR 180 HB2 0.33 0.09 0.05 -0.04 3.06 3.49 2ba9A1 TYR 180 HB3 0.70 -0.07 0.00 -0.04 2.98 3.58 2ba9A1 TYR 180 HD2 0.42 0.06 0.07 -0.04 7.15 7.66 2ba9A1 TYR 180 HE2 0.19 0.14 0.04 -0.04 6.85 7.18 2ba9A1 VAL 181 H -0.14 0.30 -0.19 -0.55 8.24 7.66 2ba9A1 VAL 181 HA -0.35 -0.01 0.15 -0.75 4.13 3.16 2ba9A1 VAL 181 HB -0.94 0.12 0.11 -0.04 2.12 1.37 2ba9A1 VAL 181 HG13 -1.40 -0.01 -0.14 -0.04 0.97 -0.62 2ba9A1 VAL 181 HG23 -1.05 0.01 -0.09 -0.04 0.95 -0.22 2ba9A1 LEU 182 H -0.28 0.55 -0.19 -0.55 8.37 7.90 2ba9A1 LEU 182 HA -0.01 0.20 -0.02 -0.75 4.35 3.76 2ba9A1 LEU 182 HB2 -0.16 0.11 -0.07 -0.04 1.64 1.48 2ba9A1 LEU 182 HB3 0.12 -0.07 -0.07 -0.04 1.64 1.57 2ba9A1 LEU 182 HG -0.38 -0.06 -0.07 -0.04 1.64 1.09 2ba9A1 LEU 182 HD13 -0.69 -0.02 -0.09 -0.04 0.93 0.08 2ba9A1 LEU 182 HD23 -0.16 0.04 -0.08 -0.04 0.89 0.65 2ba9A1 LYS 183 H -0.16 0.30 -0.44 -0.55 8.42 7.56 2ba9A1 LYS 183 HA -0.14 0.11 0.63 -0.75 4.32 4.17 2ba9A1 LYS 183 HB2 -0.15 0.05 0.11 -0.04 1.87 1.84 2ba9A1 LYS 183 HB3 -0.14 -0.16 -0.04 -0.04 1.79 1.40 2ba9A1 LYS 183 HG2 -0.22 0.11 0.04 -0.04 1.46 1.34 2ba9A1 LYS 183 HG3 -0.19 0.02 0.09 -0.04 1.46 1.33 2ba9A1 LYS 183 HD2 -0.50 -0.12 -0.06 -0.04 1.69 0.96 2ba9A1 LYS 183 HD3 -0.41 -0.07 0.02 -0.04 1.68 1.18 2ba9A1 LYS 183 HE2 -0.34 -0.20 0.02 -0.04 2.99 2.43 2ba9A1 LYS 183 HE3 -0.84 -0.07 -0.04 -0.04 2.99 2.01 2ba9A1 TYR 184 H -0.39 0.42 -0.21 -0.55 8.29 7.56 2ba9A1 TYR 184 HA -0.32 -0.01 0.69 -0.75 4.56 4.17 2ba9A1 TYR 184 HB2 -1.71 -0.12 0.03 -0.04 3.06 1.22 2ba9A1 TYR 184 HB3 -1.02 0.19 0.15 -0.04 2.98 2.25 2ba9A1 TYR 184 HD2 -0.20 -0.04 -0.07 -0.04 7.15 6.79 2ba9A1 TYR 184 HE2 -0.02 0.06 -0.02 -0.04 6.85 6.84 2ba9A1 LEU 185 H -0.45 0.68 0.12 -0.55 8.37 8.18 2ba9A1 LEU 185 HA -0.43 0.01 0.59 -0.75 4.35 3.76 2ba9A1 LEU 185 HB2 -0.19 0.08 0.11 -0.04 1.64 1.60 2ba9A1 LEU 185 HB3 -0.57 -0.07 0.06 -0.04 1.64 1.02 2ba9A1 LEU 185 HG -1.84 -0.04 -0.12 -0.04 1.64 -0.39 2ba9A1 LEU 185 HD13 -0.44 -0.03 -0.12 -0.04 0.93 0.31 2ba9A1 LEU 185 HD23 -0.90 -0.01 -0.16 -0.04 0.89 -0.22 2ba9A1 ASP 186 H -0.04 0.39 -0.43 -0.55 8.40 7.77 2ba9A1 ASP 186 HA 0.37 0.22 0.63 -0.75 4.63 5.09 2ba9A1 ASP 186 HB2 0.16 -0.15 0.15 -0.04 2.71 2.83 2ba9A1 ASP 186 HB3 0.01 0.40 0.10 -0.04 2.70 3.17 2ba9A1 PHE 187 H 0.50 0.21 0.10 -0.55 8.34 8.60 2ba9A1 PHE 187 HA 0.18 0.10 0.15 -0.75 4.62 4.31 2ba9A1 PHE 187 HB2 0.20 0.06 0.11 -0.04 3.15 3.48 2ba9A1 PHE 187 HB3 0.13 0.01 0.07 -0.04 3.06 3.23 2ba9A1 PHE 187 HD2 0.20 0.00 -0.11 -0.04 7.28 7.33 2ba9A1 PHE 187 HE2 0.11 0.13 0.01 -0.04 7.38 7.59 2ba9A1 PHE 187 HZ 0.05 0.02 -0.04 -0.04 7.32 7.30 2ba9A1 VAL 188 H 0.16 0.10 -0.22 -0.55 8.24 7.74 2ba9A1 VAL 188 HA 0.01 0.11 0.37 -0.75 4.13 3.87 2ba9A1 VAL 188 HB 0.03 -0.01 0.02 -0.04 2.12 2.13 2ba9A1 VAL 188 HG13 -0.01 0.01 -0.10 -0.04 0.97 0.82 2ba9A1 VAL 188 HG23 0.11 0.02 0.01 -0.04 0.95 1.04 2ba9A1 THR 189 H -0.04 0.15 -0.30 -0.55 8.28 7.54 2ba9A1 THR 189 HA -0.09 0.00 0.46 -0.75 4.39 4.00 2ba9A1 THR 189 HB -0.12 0.08 0.20 -0.04 4.32 4.44 2ba9A1 THR 189 HG23 0.07 0.00 -0.10 -0.04 1.22 1.15 2ba9A1 MET 190 H -0.30 0.67 -0.15 -0.55 8.47 8.14 2ba9A1 MET 190 HA -0.54 0.02 0.33 -0.75 4.52 3.57 2ba9A1 MET 190 HB2 -1.05 0.08 -0.06 -0.04 2.15 1.07 2ba9A1 MET 190 HB3 -0.86 0.09 0.02 -0.04 2.03 1.24 2ba9A1 MET 190 HG2 -2.45 -0.02 -0.12 -0.04 2.63 0.01 2ba9A1 MET 190 HG3 -0.93 -0.02 -0.26 -0.04 2.56 1.31 2ba9A1 MET 190 HE3 -0.49 0.02 -0.05 -0.04 2.10 1.54 2ba9A1 MET 191 H -0.44 0.52 -0.26 -0.55 8.47 7.75 2ba9A1 MET 191 HA -0.31 0.01 0.38 -0.75 4.52 3.84 2ba9A1 MET 191 HB2 -0.20 0.10 0.14 -0.04 2.15 2.15 2ba9A1 MET 191 HB3 -0.16 -0.03 0.01 -0.04 2.03 1.81 2ba9A1 MET 191 HG2 -0.88 0.28 0.09 -0.04 2.63 2.09 2ba9A1 MET 191 HG3 -0.21 -0.04 -0.01 -0.04 2.56 2.26 2ba9A1 MET 191 HE3 -0.67 0.01 -0.15 -0.04 2.10 1.25 2ba9A1 SER 192 H -0.17 0.46 -0.17 -0.55 8.46 8.04 2ba9A1 SER 192 HA -0.16 -0.02 0.49 -0.75 4.49 4.05 2ba9A1 SER 192 HB2 -0.20 0.08 0.21 -0.04 3.95 4.00 2ba9A1 SER 192 HB3 -0.28 0.13 0.15 -0.04 3.93 3.90 2ba9A1 PHE 193 H -0.04 0.58 -0.13 -0.55 8.34 8.20 2ba9A1 PHE 193 HA -0.17 0.01 0.52 -0.75 4.62 4.23 2ba9A1 PHE 193 HB2 -0.34 0.11 0.14 -0.04 3.15 3.02 2ba9A1 PHE 193 HB3 -0.26 -0.01 -0.08 -0.04 3.06 2.68 2ba9A1 PHE 193 HD2 -0.20 0.07 -0.09 -0.04 7.28 7.01 2ba9A1 PHE 193 HE2 0.02 -0.04 -0.10 -0.04 7.38 7.22 2ba9A1 PHE 193 HZ -0.03 -0.05 -0.08 -0.04 7.32 7.12 2ba9A1 ALA 194 H -0.14 0.51 -0.11 -0.55 8.40 8.11 2ba9A1 ALA 194 HA -0.09 -0.00 0.35 -0.75 4.34 3.83 2ba9A1 ALA 194 HB3 -0.17 0.00 0.08 -0.04 1.41 1.28 2ba9A1 LYS 195 H -0.12 0.63 -0.05 -0.55 8.42 8.33 2ba9A1 LYS 195 HA -0.07 0.06 0.58 -0.75 4.32 4.13 2ba9A1 LYS 195 HB2 -0.08 -0.02 0.08 -0.04 1.87 1.81 2ba9A1 LYS 195 HB3 -0.10 -0.02 0.11 -0.04 1.79 1.73 2ba9A1 LYS 195 HG2 -0.07 0.01 -0.15 -0.04 1.46 1.21 2ba9A1 LYS 195 HG3 -0.05 0.00 0.08 -0.04 1.46 1.45 2ba9A1 LYS 195 HD2 -0.05 -0.02 -0.01 -0.04 1.69 1.58 2ba9A1 LYS 195 HD3 -0.06 -0.03 -0.02 -0.04 1.68 1.53 2ba9A1 LYS 195 HE2 -0.03 0.00 -0.01 -0.04 2.99 2.92 2ba9A1 LYS 195 HE3 -0.03 -0.03 -0.01 -0.04 2.99 2.88 2ba9A1 GLY 196 H -0.12 0.27 -0.55 -0.55 8.43 7.49 2ba9A1 GLY 196 HA2 -0.14 0.01 0.28 -0.51 4.01 3.65 2ba9A1 GLY 196 HA3 -0.08 0.08 0.63 -0.51 4.01 4.13 2ba9A1 ASP 197 H -0.17 0.47 0.01 -0.55 8.40 8.16 2ba9A1 ASP 197 HA -0.10 0.12 0.66 -0.75 4.63 4.56 2ba9A1 ASP 197 HB2 -0.10 0.02 0.05 -0.04 2.71 2.65 2ba9A1 ASP 197 HB3 -0.16 -0.09 0.27 -0.04 2.70 2.68 2ba9A1 LEU 198 H -0.13 0.41 0.05 -0.55 8.37 8.15 2ba9A1 LEU 198 HA -0.40 0.19 0.96 -0.75 4.35 4.35 2ba9A1 LEU 198 HB2 -0.18 0.03 -0.03 -0.04 1.64 1.42 2ba9A1 LEU 198 HB3 -0.25 0.01 -0.08 -0.04 1.64 1.28 2ba9A1 LEU 198 HG -0.43 -0.06 -0.62 -0.04 1.64 0.49 2ba9A1 LEU 198 HD13 -0.25 0.02 -0.08 -0.04 0.93 0.58 2ba9A1 LEU 198 HD23 -1.19 -0.01 -0.15 -0.04 0.89 -0.51 2ba9A1 TRP 199 H -0.29 0.47 0.14 -0.55 7.97 7.74 2ba9A1 TRP 199 HA -0.41 0.17 0.67 -0.75 4.62 4.29 2ba9A1 TRP 199 HB2 -0.41 -0.22 0.00 -0.04 3.23 2.57 2ba9A1 TRP 199 HB3 -1.04 0.03 -0.06 -0.04 3.23 2.12 2ba9A1 TRP 199 HD1 -0.22 0.09 -0.33 -0.04 7.22 6.72 2ba9A1 TRP 199 HE1 -0.09 0.05 -0.14 -0.04 10.20 9.98 2ba9A1 TRP 199 HE3 0.48 -0.07 -0.13 -0.04 7.59 7.84 2ba9A1 TRP 199 HZ2 0.03 0.07 -0.02 -0.04 7.44 7.48 2ba9A1 TRP 199 HZ3 0.39 -0.07 -0.10 -0.04 7.13 7.31 2ba9A1 TRP 199 HH2 0.15 0.04 -0.10 -0.04 7.19 7.25 2ba9A1 THR 200 H -0.44 0.27 0.20 -0.55 8.28 7.76 2ba9A1 THR 200 HA -0.14 0.30 0.62 -0.75 4.39 4.42 2ba9A1 THR 200 HB 0.02 -0.04 0.08 -0.04 4.32 4.34 2ba9A1 THR 200 HG23 -0.03 0.04 -0.25 -0.04 1.22 0.94 2ba9A1 TRP 201 H 0.35 0.35 0.12 -0.55 7.97 8.23 2ba9A1 TRP 201 HA 0.03 -0.00 0.93 -0.75 4.62 4.83 2ba9A1 TRP 201 HB2 0.05 -0.08 -0.30 -0.04 3.23 2.86 2ba9A1 TRP 201 HB3 0.03 0.04 -0.17 -0.04 3.23 3.09 2ba9A1 TRP 201 HD1 -0.03 0.17 -0.05 -0.04 7.22 7.27 2ba9A1 TRP 201 HE1 -0.09 0.02 -0.32 -0.04 10.20 9.77 2ba9A1 TRP 201 HE3 0.13 0.10 -0.13 -0.04 7.59 7.66 2ba9A1 TRP 201 HZ2 0.41 0.02 -0.19 -0.04 7.44 7.63 2ba9A1 TRP 201 HZ3 0.40 0.03 -0.35 -0.04 7.13 7.17 2ba9A1 TRP 201 HH2 0.67 -0.07 -0.24 -0.04 7.19 7.52 2ba9A1 ALA 202 H 0.17 0.17 -0.12 -0.55 8.40 8.07 2ba9A1 ALA 202 HA 0.28 0.13 0.45 -0.75 4.34 4.45 2ba9A1 ALA 202 HB3 0.23 0.09 0.05 -0.04 1.41 1.74 2ba9A1 ASP 203 H 0.24 0.05 -0.17 -0.55 8.40 7.97 2ba9A1 ASP 203 HA 0.19 0.18 0.65 -0.75 4.63 4.90 2ba9A1 ASP 203 HB2 0.15 -0.03 0.04 -0.04 2.71 2.83 2ba9A1 ASP 203 HB3 0.09 0.00 0.16 -0.04 2.70 2.92 2ba9A1 GLY 204 H 0.26 0.34 -0.76 -0.55 8.43 7.72 2ba9A1 GLY 204 HA2 0.19 0.14 0.25 -0.51 4.01 4.09 2ba9A1 GLY 204 HA3 0.08 0.11 0.29 -0.51 4.01 3.99 2ba9A1 THR 205 H 0.09 0.30 0.05 -0.55 8.28 8.17 2ba9A1 THR 205 HA -0.57 0.07 0.32 -0.75 4.39 3.46 2ba9A1 THR 205 HB -0.48 -0.07 -0.07 -0.04 4.32 3.66 2ba9A1 THR 205 HG23 0.13 -0.01 -0.31 -0.04 1.22 0.99 2ba9A1 GLN 206 H -0.05 0.10 -0.40 -0.55 8.47 7.57 2ba9A1 GLN 206 HA 0.01 0.07 0.24 -0.75 4.36 3.92 2ba9A1 GLN 206 HB2 -0.04 -0.12 -0.25 -0.04 2.15 1.70 2ba9A1 GLN 206 HB3 -0.07 0.11 0.01 -0.04 2.02 2.03 2ba9A1 GLN 206 HG2 -0.03 -0.03 -0.06 -0.04 2.40 2.24 2ba9A1 GLN 206 HG3 0.03 0.15 0.21 -0.04 2.39 2.74 2ba9A1 GLN 206 HE21 -0.09 -0.06 -0.02 -0.04 6.97 6.75 2ba9A1 GLN 206 HE22 0.12 0.36 0.11 -0.04 7.69 8.24 2ba9A1 ALA 207 H -0.13 0.38 -0.47 -0.55 8.40 7.64 2ba9A1 ALA 207 HA -0.27 0.04 0.23 -0.75 4.34 3.58 2ba9A1 ALA 207 HB3 -0.13 0.11 -0.01 -0.04 1.41 1.34 2ba9A1 MET 208 H -0.40 0.28 -0.24 -0.55 8.47 7.56 2ba9A1 MET 208 HA -0.26 0.11 0.36 -0.75 4.52 3.98 2ba9A1 MET 208 HB2 -0.40 0.02 -0.04 -0.04 2.15 1.69 2ba9A1 MET 208 HB3 -0.37 0.01 -0.02 -0.04 2.03 1.61 2ba9A1 MET 208 HG2 -0.77 0.24 0.01 -0.04 2.63 2.07 2ba9A1 MET 208 HG3 -1.28 -0.05 -0.18 -0.04 2.56 1.01 2ba9A1 MET 208 HE3 -1.25 -0.00 -0.09 -0.04 2.10 0.72 2ba9A1 PHE 209 H -0.20 0.31 -0.25 -0.55 8.34 7.64 2ba9A1 PHE 209 HA -0.08 0.08 0.66 -0.75 4.62 4.53 2ba9A1 PHE 209 HB2 -0.14 0.17 0.07 -0.04 3.15 3.21 2ba9A1 PHE 209 HB3 -0.07 -0.07 -0.06 -0.04 3.06 2.82 2ba9A1 PHE 209 HD2 -0.18 0.12 -0.03 -0.04 7.28 7.14 2ba9A1 PHE 209 HE2 -0.39 0.01 -0.04 -0.04 7.38 6.91 2ba9A1 PHE 209 HZ -0.02 -0.05 -0.06 -0.04 7.32 7.16 2ba9A1 GLU 210 H -0.08 0.54 -0.06 -0.55 8.60 8.46 2ba9A1 GLU 210 HA 0.04 -0.00 0.57 -0.75 4.29 4.14 2ba9A1 GLU 210 HB2 -0.23 0.16 0.17 -0.04 2.09 2.15 2ba9A1 GLU 210 HB3 -0.00 -0.00 0.03 -0.04 1.99 1.98 2ba9A1 GLU 210 HG2 0.03 -0.07 0.06 -0.04 2.34 2.32 2ba9A1 GLU 210 HG3 -0.01 0.11 0.02 -0.04 2.34 2.42 2ba9A1 HIS 211 H -0.28 0.48 -0.12 -0.55 8.41 7.94 2ba9A1 HIS 211 HA -0.01 0.06 0.34 -0.75 4.63 4.28 2ba9A1 HIS 211 HB2 -0.07 -0.01 0.08 -0.04 3.26 3.22 2ba9A1 HIS 211 HB3 -0.03 0.09 0.03 -0.04 3.20 3.25 2ba9A1 HIS 211 HD2 -0.00 -0.05 -0.12 -0.04 6.97 6.76 2ba9A1 HIS 211 HE1 0.00 -0.07 -0.09 -0.04 7.75 7.55 2ba9A1 LEU 212 H -0.01 0.42 -0.22 -0.55 8.37 8.02 2ba9A1 LEU 212 HA 0.01 0.09 0.41 -0.75 4.35 4.11 2ba9A1 LEU 212 HB2 -0.07 0.06 0.11 -0.04 1.64 1.70 2ba9A1 LEU 212 HB3 0.06 -0.05 0.12 -0.04 1.64 1.73 2ba9A1 LEU 212 HG 0.05 0.03 -0.33 -0.04 1.64 1.34 2ba9A1 LEU 212 HD13 -0.04 0.01 -0.02 -0.04 0.93 0.84 2ba9A1 LEU 212 HD23 0.12 -0.04 -0.18 -0.04 0.89 0.75 2ba9A1 ASN 213 H 0.07 0.45 -0.30 -0.55 8.53 8.21 2ba9A1 ASN 213 HA 0.08 -0.05 0.42 -0.75 4.76 4.46 2ba9A1 ASN 213 HB2 0.08 0.01 0.16 -0.04 2.88 3.09 2ba9A1 ASN 213 HB3 0.07 0.24 0.17 -0.04 2.79 3.23 2ba9A1 ASN 213 HD21 0.07 0.02 -0.02 -0.04 7.03 7.05 2ba9A1 ASN 213 HD22 0.07 0.08 -0.02 -0.04 7.74 7.82 2ba9A1 ALA 214 H 0.07 0.38 -0.16 -0.55 8.40 8.14 2ba9A1 ALA 214 HA 0.04 0.00 0.41 -0.75 4.34 4.04 2ba9A1 ALA 214 HB3 0.05 0.01 0.10 -0.04 1.41 1.53 2ba9A1 THR 215 H 0.04 0.35 -0.29 -0.55 8.28 7.83 2ba9A1 THR 215 HA 0.01 0.03 0.37 -0.75 4.39 4.05 2ba9A1 THR 215 HB 0.00 -0.05 0.07 -0.04 4.32 4.30 2ba9A1 THR 215 HG23 0.01 0.09 -0.02 -0.04 1.22 1.25 2ba9A1 LEU 216 H 0.05 0.32 -0.44 -0.55 8.37 7.75 2ba9A1 LEU 216 HA 0.09 -0.04 0.43 -0.75 4.35 4.07 2ba9A1 LEU 216 HB2 0.12 0.17 -0.14 -0.04 1.64 1.75 2ba9A1 LEU 216 HB3 0.27 -0.16 -0.23 -0.04 1.64 1.48 2ba9A1 LEU 216 HG 0.07 0.26 0.03 -0.04 1.64 1.96 2ba9A1 LEU 216 HD13 0.13 -0.05 -0.04 -0.04 0.93 0.92 2ba9A1 LEU 216 HD23 0.02 -0.02 -0.13 -0.04 0.89 0.71 2ba9A1 GLU 217 H 0.14 0.08 0.13 -0.55 8.60 8.40 2ba9A1 GLU 217 HA -0.11 0.08 0.49 -0.75 4.29 3.99 2ba9A1 GLU 217 HB2 0.07 -0.00 0.16 -0.04 2.09 2.28 2ba9A1 GLU 217 HB3 -0.01 -0.02 0.11 -0.04 1.99 2.03 2ba9A1 GLU 217 HG2 -0.62 0.02 -0.02 -0.04 2.34 1.68 2ba9A1 GLU 217 HG3 -0.15 -0.02 0.09 -0.04 2.34 2.21 2ba9A1 HIS 218 H 0.12 0.01 -0.23 -0.55 8.41 7.76 2ba9A1 HIS 218 HA -0.06 0.24 0.82 -0.75 4.63 4.88 2ba9A1 HIS 218 HB2 -0.58 -0.10 0.14 -0.04 3.26 2.68 2ba9A1 HIS 218 HB3 -0.18 -0.01 0.11 -0.04 3.20 3.08 2ba9A1 HIS 218 HD2 -0.98 -0.12 0.01 -0.04 6.97 5.84 2ba9A1 HIS 218 HE1 -0.10 -0.08 0.02 -0.04 7.75 7.54 2ba9A1 PRO 219 HA 0.12 -0.01 0.49 -0.51 4.44 4.53 2ba9A1 PRO 219 HB2 0.06 -0.00 -0.07 -0.04 2.28 2.22 2ba9A1 PRO 219 HB3 0.07 -0.07 -0.02 -0.04 2.02 1.95 2ba9A1 PRO 219 HG2 0.03 -0.04 0.01 -0.04 2.03 1.99 2ba9A1 PRO 219 HG3 0.05 0.34 0.03 -0.04 2.03 2.40 2ba9A1 PRO 219 HD2 0.02 0.03 0.07 -0.04 3.68 3.76 2ba9A1 PRO 219 HD3 -0.00 0.40 -0.45 -0.04 3.65 3.56 2ba9A1 ALA 220 H 0.09 0.01 0.09 -0.55 8.40 8.05 2ba9A1 ALA 220 HA 0.10 0.06 0.36 -0.75 4.34 4.10 2ba9A1 ALA 220 HB3 0.07 -0.03 -0.05 -0.04 1.41 1.36 2ba9A1 GLU 221 H 0.09 0.57 0.35 -0.55 8.60 9.07 2ba9A1 GLU 221 HA 0.08 0.09 0.76 -0.75 4.29 4.47 2ba9A1 GLU 221 HB2 0.14 -0.07 0.22 -0.04 2.09 2.34 2ba9A1 GLU 221 HB3 0.15 0.01 0.05 -0.04 1.99 2.15 2ba9A1 GLU 221 HG2 0.07 0.09 0.07 -0.04 2.34 2.52 2ba9A1 GLU 221 HG3 0.07 -0.07 -0.00 -0.04 2.34 2.30 2ba9A1 ARG 222 H 0.07 0.15 0.08 -0.55 8.46 8.21 2ba9A1 ARG 222 HA 0.03 0.12 0.68 -0.75 4.34 4.42 2ba9A1 ARG 222 HB2 0.05 0.00 -0.01 -0.04 1.90 1.89 2ba9A1 ARG 222 HB3 0.03 0.02 0.15 -0.04 1.80 1.96 2ba9A1 ARG 222 HG2 0.04 -0.07 -0.39 -0.04 1.67 1.21 2ba9A1 ARG 222 HG3 0.06 0.13 -0.14 -0.04 1.67 1.67 2ba9A1 ARG 222 HD2 0.06 0.06 -0.13 -0.04 3.22 3.16 2ba9A1 ARG 222 HD3 0.05 -0.14 -0.58 -0.04 3.22 2.51 2ba9A1 ASN 223 H 0.00 0.63 -0.02 -0.55 8.53 8.60 2ba9A1 ASN 223 HA -0.01 0.19 0.25 -0.75 4.76 4.43 2ba9A1 ASN 223 HB2 0.03 0.11 -0.17 -0.04 2.88 2.81 2ba9A1 ASN 223 HB3 0.01 -0.05 0.15 -0.04 2.79 2.87 2ba9A1 ASN 223 HD21 0.04 -0.01 -0.03 -0.04 7.03 6.99 2ba9A1 ASN 223 HD22 0.04 0.05 -0.25 -0.04 7.74 7.54 2ba9A1 VAL 224 H 0.00 0.52 -0.30 -0.55 8.24 7.92 2ba9A1 VAL 224 HA -0.06 0.05 0.68 -0.75 4.13 4.05 2ba9A1 VAL 224 HB 0.03 -0.06 -0.12 -0.04 2.12 1.92 2ba9A1 VAL 224 HG13 -0.09 -0.04 -0.26 -0.04 0.97 0.53 2ba9A1 VAL 224 HG23 0.17 0.06 -0.27 -0.04 0.95 0.87 2ba9A1 ASP 225 H -0.15 0.18 0.12 -0.55 8.40 8.01 2ba9A1 ASP 225 HA -0.13 0.11 0.60 -0.75 4.63 4.46 2ba9A1 ASP 225 HB2 -0.09 0.08 0.05 -0.04 2.71 2.71 2ba9A1 ASP 225 HB3 -0.13 -0.13 0.25 -0.04 2.70 2.66 2ba9A1 ILE 226 H -0.19 0.24 0.02 -0.55 8.25 7.77 2ba9A1 ILE 226 HA -0.21 0.10 0.61 -0.75 4.18 3.92 2ba9A1 ILE 226 HB -0.29 -0.04 0.08 -0.04 1.89 1.61 2ba9A1 ILE 226 HG12 -0.10 0.02 -0.16 -0.04 1.49 1.22 2ba9A1 ILE 226 HG13 -0.12 0.00 -0.18 -0.04 1.21 0.87 2ba9A1 ILE 226 HG23 -0.01 0.02 -0.24 -0.04 0.93 0.66 2ba9A1 ILE 226 HD13 0.05 -0.01 -0.09 -0.04 0.88 0.79 2ba9A1 THR 227 H -0.10 0.63 0.46 -0.55 8.28 8.72 2ba9A1 THR 227 HA -0.11 0.14 0.77 -0.75 4.39 4.44 2ba9A1 THR 227 HB -0.05 -0.02 0.04 -0.04 4.32 4.24 2ba9A1 THR 227 HG23 -0.10 0.02 -0.15 -0.04 1.22 0.95 2ba9A1 ARG 228 H 0.06 0.30 0.22 -0.55 8.46 8.49 2ba9A1 ARG 228 HA 0.12 0.34 0.76 -0.75 4.34 4.81 2ba9A1 ARG 228 HB2 -0.03 0.05 -0.36 -0.04 1.90 1.52 2ba9A1 ARG 228 HB3 0.05 -0.11 0.00 -0.04 1.80 1.71 2ba9A1 ARG 228 HG2 0.03 -0.08 -0.23 -0.04 1.67 1.36 2ba9A1 ARG 228 HG3 0.01 0.09 -0.05 -0.04 1.67 1.68 2ba9A1 ARG 228 HD2 -0.30 -0.05 -0.10 -0.04 3.22 2.72 2ba9A1 ARG 228 HD3 -0.10 -0.02 -0.10 -0.04 3.22 2.97 2ba9A1 ILE 229 H 0.13 0.68 0.37 -0.55 8.25 8.88 2ba9A1 ILE 229 HA 0.22 0.32 0.89 -0.75 4.18 4.86 2ba9A1 ILE 229 HB 0.15 -0.04 0.12 -0.04 1.89 2.08 2ba9A1 ILE 229 HG12 0.21 0.02 0.06 -0.04 1.49 1.73 2ba9A1 ILE 229 HG13 0.31 -0.03 -0.32 -0.04 1.21 1.12 2ba9A1 ILE 229 HG23 0.22 -0.01 -0.20 -0.04 0.93 0.89 2ba9A1 ILE 229 HD13 0.41 -0.02 -0.11 -0.04 0.88 1.13 2ba9A1 THR 230 H 0.20 0.66 0.29 -0.55 8.28 8.88 2ba9A1 THR 230 HA 0.07 0.06 0.88 -0.75 4.39 4.65 2ba9A1 THR 230 HB 0.07 -0.04 0.04 -0.04 4.32 4.36 2ba9A1 THR 230 HG23 0.05 0.00 -0.17 -0.04 1.22 1.06 2ba9A1 ARG 231 H 0.06 0.15 0.08 -0.55 8.46 8.19 2ba9A1 ARG 231 HA 0.08 0.43 1.14 -0.75 4.34 5.23 2ba9A1 ARG 231 HB2 0.06 -0.08 0.15 -0.04 1.90 1.99 2ba9A1 ARG 231 HB3 0.04 0.11 0.14 -0.04 1.80 2.04 2ba9A1 ARG 231 HG2 0.08 0.12 -0.10 -0.04 1.67 1.72 2ba9A1 ARG 231 HG3 0.12 -0.14 -0.55 -0.04 1.67 1.05 2ba9A1 ARG 231 HD2 0.07 0.18 -0.05 -0.04 3.22 3.38 2ba9A1 ARG 231 HD3 0.16 -0.05 -0.14 -0.04 3.22 3.15 2ba9A1 GLU 232 H 0.07 0.19 0.06 -0.55 8.60 8.38 2ba9A1 GLU 232 HA 0.03 0.19 0.98 -0.75 4.29 4.73 2ba9A1 GLU 232 HB2 0.04 0.05 -0.04 -0.04 2.09 2.11 2ba9A1 GLU 232 HB3 0.03 -0.02 0.13 -0.04 1.99 2.09 2ba9A1 GLU 232 HG2 0.03 0.04 -0.04 -0.04 2.34 2.33 2ba9A1 GLU 232 HG3 0.04 -0.10 -0.25 -0.04 2.34 2.00 2ba9A1 ASP 233 H 0.02 0.16 0.18 -0.55 8.40 8.20 2ba9A1 ASP 233 HA 0.02 0.03 0.34 -0.75 4.63 4.26 2ba9A1 ASP 233 HB2 0.04 0.15 -0.10 -0.04 2.71 2.76 2ba9A1 ASP 233 HB3 0.03 0.03 0.15 -0.04 2.70 2.86 2ba9A1 GLY 234 H 0.02 0.01 -0.55 -0.55 8.43 7.36 2ba9A1 GLY 234 HA2 0.00 -0.03 0.21 -0.51 4.01 3.69 2ba9A1 GLY 234 HA3 0.01 0.08 0.55 -0.51 4.01 4.14 2ba9A1 LYS 235 H 0.03 0.45 -0.13 -0.55 8.42 8.22 2ba9A1 LYS 235 HA 0.03 0.27 0.94 -0.75 4.32 4.80 2ba9A1 LYS 235 HB2 0.05 -0.06 -0.07 -0.04 1.87 1.75 2ba9A1 LYS 235 HB3 0.02 0.06 0.07 -0.04 1.79 1.89 2ba9A1 LYS 235 HG2 0.03 0.05 -0.39 -0.04 1.46 1.10 2ba9A1 LYS 235 HG3 0.03 -0.08 -0.11 -0.04 1.46 1.25 2ba9A1 LYS 235 HD2 0.01 -0.03 -0.05 -0.04 1.69 1.58 2ba9A1 LYS 235 HD3 0.02 0.30 -0.06 -0.04 1.68 1.90 2ba9A1 LYS 235 HE2 0.02 -0.08 -0.05 -0.04 2.99 2.84 2ba9A1 LYS 235 HE3 0.02 -0.04 -0.02 -0.04 2.99 2.91 2ba9A1 VAL 236 H 0.03 0.82 0.22 -0.55 8.24 8.76 2ba9A1 VAL 236 HA 0.08 0.20 0.99 -0.75 4.13 4.66 2ba9A1 VAL 236 HB 0.06 -0.09 -0.12 -0.04 2.12 1.93 2ba9A1 VAL 236 HG13 0.11 -0.03 -0.27 -0.04 0.97 0.74 2ba9A1 VAL 236 HG23 0.06 0.03 -0.35 -0.04 0.95 0.65 2ba9A1 HIS 237 H 0.16 0.69 0.30 -0.55 8.41 9.02 2ba9A1 HIS 237 HA -0.00 0.26 1.13 -0.75 4.63 5.27 2ba9A1 HIS 237 HB2 0.04 -0.02 -0.01 -0.04 3.26 3.23 2ba9A1 HIS 237 HB3 0.04 -0.09 0.04 -0.04 3.20 3.15 2ba9A1 HIS 237 HD2 -0.46 0.13 -0.25 -0.04 6.97 6.34 2ba9A1 HIS 237 HE1 0.04 -0.00 -0.12 -0.04 7.75 7.62 2ba9A1 ILE 238 H 0.04 0.84 0.38 -0.55 8.25 8.96 2ba9A1 ILE 238 HA 0.11 0.20 0.97 -0.75 4.18 4.71 2ba9A1 ILE 238 HB 0.28 -0.01 0.10 -0.04 1.89 2.21 2ba9A1 ILE 238 HG12 0.17 -0.04 -0.11 -0.04 1.49 1.47 2ba9A1 ILE 238 HG13 0.16 0.01 -0.17 -0.04 1.21 1.17 2ba9A1 ILE 238 HG23 0.08 -0.02 -0.18 -0.04 0.93 0.77 2ba9A1 ILE 238 HD13 0.09 -0.02 -0.20 -0.04 0.88 0.71 2ba9A1 HIS 239 H 0.13 0.89 0.44 -0.55 8.41 9.32 2ba9A1 HIS 239 HA 0.03 0.11 1.15 -0.75 4.63 5.17 2ba9A1 HIS 239 HB2 -0.02 -0.09 0.18 -0.04 3.26 3.30 2ba9A1 HIS 239 HB3 -0.03 0.08 0.05 -0.04 3.20 3.26 2ba9A1 HIS 239 HD2 0.05 0.07 -0.30 -0.04 6.97 6.75 2ba9A1 HIS 239 HE1 -0.37 -0.01 -0.13 -0.04 7.75 7.20 2ba9A1 THR 240 H -0.33 0.93 0.42 -0.55 8.28 8.76 2ba9A1 THR 240 HA -0.29 0.18 1.09 -0.75 4.39 4.62 2ba9A1 THR 240 HB -0.58 -0.10 0.06 -0.04 4.32 3.66 2ba9A1 THR 240 HG23 -1.04 0.01 -0.27 -0.04 1.22 -0.13 2ba9A1 THR 241 H -0.27 0.18 0.26 -0.55 8.28 7.90 2ba9A1 THR 241 HA -0.10 0.14 0.60 -0.75 4.39 4.28 2ba9A1 THR 241 HB -0.07 0.03 0.07 -0.04 4.32 4.31 2ba9A1 THR 241 HG23 -0.09 0.03 0.06 -0.04 1.22 1.18 2ba9A1 ASP 242 H -0.33 -0.03 -0.01 -0.55 8.40 7.48 2ba9A1 ASP 242 HA 0.01 0.20 0.68 -0.75 4.63 4.77 2ba9A1 ASP 242 HB2 0.03 -0.01 -0.00 -0.04 2.71 2.69 2ba9A1 ASP 242 HB3 0.19 0.03 0.05 -0.04 2.70 2.93 2ba9A1 TRP 243 H -0.42 0.08 -0.13 -0.55 7.97 6.95 2ba9A1 TRP 243 HA 0.04 0.15 0.51 -0.75 4.62 4.56 2ba9A1 TRP 243 HB2 0.03 0.05 -0.03 -0.04 3.23 3.23 2ba9A1 TRP 243 HB3 0.02 0.17 -0.11 -0.04 3.23 3.27 2ba9A1 TRP 243 HD1 0.01 0.06 -0.26 -0.04 7.22 7.00 2ba9A1 TRP 243 HE1 0.01 0.05 -0.10 -0.04 10.20 10.12 2ba9A1 TRP 243 HE3 0.01 0.01 -0.60 -0.04 7.59 6.96 2ba9A1 TRP 243 HZ2 0.01 0.02 -0.13 -0.04 7.44 7.30 2ba9A1 TRP 243 HZ3 -0.01 0.03 -0.14 -0.04 7.13 6.97 2ba9A1 TRP 243 HH2 0.01 0.01 -0.17 -0.04 7.19 7.00 2ba9A1 ASP 244 H 0.36 0.28 0.17 -0.55 8.40 8.67 2ba9A1 ASP 244 HA 0.29 0.22 0.91 -0.75 4.63 5.30 2ba9A1 ASP 244 HB2 -0.02 0.06 0.02 -0.04 2.71 2.73 2ba9A1 ASP 244 HB3 0.29 -0.02 0.10 -0.04 2.70 3.02 2ba9A1 ARG 245 H 0.33 0.74 0.36 -0.55 8.46 9.34 2ba9A1 ARG 245 HA -0.04 0.16 0.96 -0.75 4.34 4.67 2ba9A1 ARG 245 HB2 0.06 -0.04 -0.08 -0.04 1.90 1.80 2ba9A1 ARG 245 HB3 -0.15 0.09 -0.05 -0.04 1.80 1.66 2ba9A1 ARG 245 HG2 -0.14 0.04 0.00 -0.04 1.67 1.53 2ba9A1 ARG 245 HG3 0.06 -0.05 -0.54 -0.04 1.67 1.10 2ba9A1 ARG 245 HD2 -1.44 -0.03 -0.15 -0.04 3.22 1.56 2ba9A1 ARG 245 HD3 -0.51 0.05 -0.08 -0.04 3.22 2.64 2ba9A1 GLU 246 H -0.23 0.17 0.20 -0.55 8.60 8.20 2ba9A1 GLU 246 HA -0.37 0.24 0.88 -0.75 4.29 4.28 2ba9A1 GLU 246 HB2 -0.37 -0.06 0.02 -0.04 2.09 1.64 2ba9A1 GLU 246 HB3 -0.14 -0.02 0.12 -0.04 1.99 1.90 2ba9A1 GLU 246 HG2 -0.06 0.13 -0.15 -0.04 2.34 2.22 2ba9A1 GLU 246 HG3 -0.09 -0.03 -0.09 -0.04 2.34 2.09 2ba9A1 SER 247 H -0.05 0.96 0.46 -0.55 8.46 9.28 2ba9A1 SER 247 HA -0.02 0.13 0.73 -0.75 4.49 4.58 2ba9A1 SER 247 HB2 0.04 0.01 -0.00 -0.04 3.95 3.96 2ba9A1 SER 247 HB3 0.04 0.09 0.05 -0.04 3.93 4.07 2ba9A1 ASP 248 H 0.04 0.51 0.38 -0.55 8.40 8.78 2ba9A1 ASP 248 HA 0.03 0.13 0.87 -0.75 4.63 4.91 2ba9A1 ASP 248 HB2 0.07 0.03 0.24 -0.04 2.71 3.02 2ba9A1 ASP 248 HB3 0.06 0.03 0.11 -0.04 2.70 2.86 2ba9A1 VAL 249 H 0.08 0.42 0.34 -0.55 8.24 8.54 2ba9A1 VAL 249 HA 0.10 0.34 0.96 -0.75 4.13 4.77 2ba9A1 VAL 249 HB 0.18 -0.09 -0.03 -0.04 2.12 2.14 2ba9A1 VAL 249 HG13 0.31 0.01 -0.14 -0.04 0.97 1.11 2ba9A1 VAL 249 HG23 0.11 -0.00 -0.22 -0.04 0.95 0.79 2ba9A1 LEU 250 H 0.10 0.98 0.41 -0.55 8.37 9.31 2ba9A1 LEU 250 HA 0.09 0.18 1.03 -0.75 4.35 4.91 2ba9A1 LEU 250 HB2 0.08 0.01 -0.06 -0.04 1.64 1.62 2ba9A1 LEU 250 HB3 0.01 0.02 0.15 -0.04 1.64 1.78 2ba9A1 LEU 250 HG -0.00 -0.07 -0.26 -0.04 1.64 1.27 2ba9A1 LEU 250 HD13 0.12 0.03 -0.03 -0.04 0.93 1.00 2ba9A1 LEU 250 HD23 0.16 -0.01 -0.12 -0.04 0.89 0.88 2ba9A1 VAL 251 H 0.07 0.74 0.33 -0.55 8.24 8.83 2ba9A1 VAL 251 HA 0.09 0.17 0.95 -0.75 4.13 4.58 2ba9A1 VAL 251 HB 0.03 -0.02 0.05 -0.04 2.12 2.14 2ba9A1 VAL 251 HG13 0.03 -0.02 -0.25 -0.04 0.97 0.69 2ba9A1 VAL 251 HG23 0.11 0.01 -0.30 -0.04 0.95 0.73 2ba9A1 LEU 252 H -0.03 0.66 0.22 -0.55 8.37 8.67 2ba9A1 LEU 252 HA -0.02 0.05 0.75 -0.75 4.35 4.38 2ba9A1 LEU 252 HB2 -0.09 0.01 0.27 -0.04 1.64 1.79 2ba9A1 LEU 252 HB3 -0.16 -0.05 0.02 -0.04 1.64 1.41 2ba9A1 LEU 252 HG -0.27 0.09 -0.07 -0.04 1.64 1.35 2ba9A1 LEU 252 HD13 -0.70 0.00 -0.08 -0.04 0.93 0.11 2ba9A1 LEU 252 HD23 -0.28 -0.00 -0.11 -0.04 0.89 0.46 2ba9A1 THR 253 H 0.02 0.56 0.28 -0.55 8.28 8.59 2ba9A1 THR 253 HA 0.02 0.14 0.50 -0.75 4.39 4.29 2ba9A1 THR 253 HB 0.03 -0.25 0.07 -0.04 4.32 4.13 2ba9A1 THR 253 HG23 0.04 0.03 -0.40 -0.04 1.22 0.84 2ba9A1 VAL 254 H -0.01 0.12 -0.07 -0.55 8.24 7.73 2ba9A1 VAL 254 HA -0.00 0.13 0.81 -0.75 4.13 4.31 2ba9A1 VAL 254 HB 0.04 0.09 0.02 -0.04 2.12 2.23 2ba9A1 VAL 254 HG13 0.03 0.03 -0.20 -0.04 0.97 0.79 2ba9A1 VAL 254 HG23 0.09 0.01 -0.09 -0.04 0.95 0.92 2ba9A1 PRO 255 HA -0.03 -0.00 0.42 -0.51 4.44 4.32 2ba9A1 PRO 255 HB2 -0.24 -0.02 0.11 -0.04 2.28 2.09 2ba9A1 PRO 255 HB3 -0.52 0.07 0.08 -0.04 2.02 1.60 2ba9A1 PRO 255 HG2 -0.58 0.09 0.09 -0.04 2.03 1.59 2ba9A1 PRO 255 HG3 -0.60 0.06 0.08 -0.04 2.03 1.53 2ba9A1 PRO 255 HD2 -0.08 0.13 0.16 -0.04 3.68 3.85 2ba9A1 PRO 255 HD3 -0.09 0.10 0.23 -0.04 3.65 3.85 2ba9A1 LEU 256 H -0.07 0.14 0.20 -0.55 8.37 8.10 2ba9A1 LEU 256 HA -0.10 0.14 0.36 -0.75 4.35 4.00 2ba9A1 LEU 256 HB2 -0.41 -0.01 0.08 -0.04 1.64 1.27 2ba9A1 LEU 256 HB3 -1.33 0.04 0.01 -0.04 1.64 0.32 2ba9A1 LEU 256 HG -0.18 -0.00 0.04 -0.04 1.64 1.45 2ba9A1 LEU 256 HD13 -0.49 0.01 -0.07 -0.04 0.93 0.33 2ba9A1 LEU 256 HD23 -0.23 0.02 -0.06 -0.04 0.89 0.57 2ba9A1 GLU 257 H 0.04 0.06 -0.01 -0.55 8.60 8.14 2ba9A1 GLU 257 HA 0.20 0.14 0.54 -0.75 4.29 4.41 2ba9A1 GLU 257 HB2 0.12 0.09 0.01 -0.04 2.09 2.27 2ba9A1 GLU 257 HB3 0.13 0.15 0.13 -0.04 1.99 2.36 2ba9A1 GLU 257 HG2 0.07 0.01 -0.32 -0.04 2.34 2.06 2ba9A1 GLU 257 HG3 0.12 0.13 -0.07 -0.04 2.34 2.48 2ba9A1 LYS 258 H 0.03 0.02 -0.43 -0.55 8.42 7.48 2ba9A1 LYS 258 HA 0.05 0.15 0.51 -0.75 4.32 4.28 2ba9A1 LYS 258 HB2 0.04 0.11 -0.00 -0.04 1.87 1.97 2ba9A1 LYS 258 HB3 0.08 0.04 -0.02 -0.04 1.79 1.86 2ba9A1 LYS 258 HG2 -0.02 0.05 -0.08 -0.04 1.46 1.37 2ba9A1 LYS 258 HG3 -0.17 -0.11 -0.03 -0.04 1.46 1.11 2ba9A1 LYS 258 HD2 -0.21 -0.04 0.00 -0.04 1.69 1.40 2ba9A1 LYS 258 HD3 -0.05 0.05 -0.01 -0.04 1.68 1.63 2ba9A1 LYS 258 HE2 -0.07 0.03 -0.02 -0.04 2.99 2.89 2ba9A1 LYS 258 HE3 -0.07 0.03 -0.04 -0.04 2.99 2.87 2ba9A1 PHE 259 H 0.15 0.28 -0.22 -0.55 8.34 7.99 2ba9A1 PHE 259 HA -1.02 0.05 0.34 -0.75 4.62 3.24 2ba9A1 PHE 259 HB2 -0.08 -0.00 -0.01 -0.04 3.15 3.02 2ba9A1 PHE 259 HB3 -0.07 0.14 0.09 -0.04 3.06 3.17 2ba9A1 PHE 259 HD2 0.01 0.03 -0.13 -0.04 7.28 7.14 2ba9A1 PHE 259 HE2 0.11 -0.01 -0.12 -0.04 7.38 7.32 2ba9A1 PHE 259 HZ 0.06 0.04 -0.13 -0.04 7.32 7.25 2ba9A1 LEU 260 H 0.07 0.24 -0.58 -0.55 8.37 7.55 2ba9A1 LEU 260 HA -0.17 -0.04 0.34 -0.75 4.35 3.72 2ba9A1 LEU 260 HB2 0.03 0.24 0.02 -0.04 1.64 1.89 2ba9A1 LEU 260 HB3 -0.00 -0.03 -0.04 -0.04 1.64 1.54 2ba9A1 LEU 260 HG 0.28 0.12 0.06 -0.04 1.64 2.06 2ba9A1 LEU 260 HD13 0.12 0.01 -0.02 -0.04 0.93 1.00 2ba9A1 LEU 260 HD23 0.13 -0.01 -0.29 -0.04 0.89 0.67 2ba9A1 ASP 261 H -0.09 0.34 -0.50 -0.55 8.40 7.59 2ba9A1 ASP 261 HA -0.04 0.07 0.35 -0.75 4.63 4.26 2ba9A1 ASP 261 HB2 0.09 0.17 0.07 -0.04 2.71 3.00 2ba9A1 ASP 261 HB3 0.05 -0.03 0.10 -0.04 2.70 2.77 2ba9A1 TYR 262 H -0.49 0.29 -0.40 -0.55 8.29 7.14 2ba9A1 TYR 262 HA -0.08 0.22 0.76 -0.75 4.56 4.71 2ba9A1 TYR 262 HB2 -0.05 0.03 -0.11 -0.04 3.06 2.89 2ba9A1 TYR 262 HB3 -0.05 0.03 -0.13 -0.04 2.98 2.78 2ba9A1 TYR 262 HD2 -0.02 -0.04 -0.18 -0.04 7.15 6.87 2ba9A1 TYR 262 HE2 0.13 -0.08 -0.23 -0.04 6.85 6.64 2ba9A1 SER 263 H -0.35 0.36 0.01 -0.55 8.46 7.93 2ba9A1 SER 263 HA -0.18 0.29 1.05 -0.75 4.49 4.90 2ba9A1 SER 263 HB2 -0.52 -0.04 0.02 -0.04 3.95 3.37 2ba9A1 SER 263 HB3 -1.43 -0.00 -0.11 -0.04 3.93 2.35 2ba9A1 ASP 264 H -0.07 0.41 0.24 -0.55 8.40 8.43 2ba9A1 ASP 264 HA -0.05 0.16 0.72 -0.75 4.63 4.70 2ba9A1 ASP 264 HB2 -0.01 0.01 0.18 -0.04 2.71 2.85 2ba9A1 ASP 264 HB3 -0.01 0.01 0.17 -0.04 2.70 2.84 2ba9A1 ALA 265 H -0.14 0.42 -0.55 -0.55 8.40 7.59 2ba9A1 ALA 265 HA 0.02 -0.03 0.31 -0.75 4.34 3.88 2ba9A1 ALA 265 HB3 -0.06 -0.00 0.03 -0.04 1.41 1.34 2ba9A1 ASP 266 H -0.01 0.05 0.19 -0.55 8.40 8.08 2ba9A1 ASP 266 HA -0.03 0.29 0.75 -0.75 4.63 4.88 2ba9A1 ASP 266 HB2 -0.04 -0.06 0.22 -0.04 2.71 2.79 2ba9A1 ASP 266 HB3 -0.02 0.17 0.14 -0.04 2.70 2.95 2ba9A1 ASP 267 H -0.05 0.21 0.16 -0.55 8.40 8.18 2ba9A1 ASP 267 HA -0.04 0.12 0.32 -0.75 4.63 4.27 2ba9A1 ASP 267 HB2 -0.04 -0.02 0.14 -0.04 2.71 2.75 2ba9A1 ASP 267 HB3 -0.03 0.05 -0.00 -0.04 2.70 2.67 2ba9A1 ASP 268 H -0.10 0.07 -0.23 -0.55 8.40 7.59 2ba9A1 ASP 268 HA -0.02 0.12 0.41 -0.75 4.63 4.38 2ba9A1 ASP 268 HB2 -0.19 -0.02 0.02 -0.04 2.71 2.48 2ba9A1 ASP 268 HB3 -0.32 0.07 -0.08 -0.04 2.70 2.33 2ba9A1 GLU 269 H -0.23 0.05 -0.24 -0.55 8.60 7.63 2ba9A1 GLU 269 HA -1.30 0.06 0.42 -0.75 4.29 2.72 2ba9A1 GLU 269 HB2 -0.12 0.01 0.13 -0.04 2.09 2.06 2ba9A1 GLU 269 HB3 -0.13 0.05 -0.02 -0.04 1.99 1.85 2ba9A1 GLU 269 HG2 -0.41 0.05 -0.03 -0.04 2.34 1.91 2ba9A1 GLU 269 HG3 -0.20 -0.06 0.01 -0.04 2.34 2.05 2ba9A1 ARG 270 H -0.11 0.57 -0.15 -0.55 8.46 8.22 2ba9A1 ARG 270 HA -0.00 0.02 0.35 -0.75 4.34 3.96 2ba9A1 ARG 270 HB2 -0.05 0.07 0.03 -0.04 1.90 1.91 2ba9A1 ARG 270 HB3 -0.03 0.02 -0.08 -0.04 1.80 1.67 2ba9A1 ARG 270 HG2 -0.01 -0.01 -0.01 -0.04 1.67 1.60 2ba9A1 ARG 270 HG3 -0.03 -0.03 -0.04 -0.04 1.67 1.54 2ba9A1 ARG 270 HD2 -0.02 -0.03 -0.05 -0.04 3.22 3.07 2ba9A1 ARG 270 HD3 -0.03 0.02 -0.04 -0.04 3.22 3.14 2ba9A1 GLU 271 H -0.06 0.51 -0.18 -0.55 8.60 8.32 2ba9A1 GLU 271 HA -0.07 0.01 0.26 -0.75 4.29 3.74 2ba9A1 GLU 271 HB2 -0.04 0.10 0.14 -0.04 2.09 2.25 2ba9A1 GLU 271 HB3 0.05 -0.01 0.11 -0.04 1.99 2.09 2ba9A1 GLU 271 HG2 -0.40 -0.01 -0.17 -0.04 2.34 1.73 2ba9A1 GLU 271 HG3 -0.12 -0.02 0.02 -0.04 2.34 2.17 2ba9A1 TYR 272 H -0.02 0.60 -0.17 -0.55 8.29 8.15 2ba9A1 TYR 272 HA 0.04 0.09 0.66 -0.75 4.56 4.60 2ba9A1 TYR 272 HB2 -0.55 0.19 0.11 -0.04 3.06 2.77 2ba9A1 TYR 272 HB3 -0.79 -0.07 -0.02 -0.04 2.98 2.06 2ba9A1 TYR 272 HD2 -0.66 0.02 0.02 -0.04 7.15 6.49 2ba9A1 TYR 272 HE2 -0.15 -0.01 -0.08 -0.04 6.85 6.56 2ba9A1 PHE 273 H -0.07 0.74 0.08 -0.55 8.34 8.54 2ba9A1 PHE 273 HA 0.33 -0.03 0.38 -0.75 4.62 4.55 2ba9A1 PHE 273 HB2 0.09 0.18 0.01 -0.04 3.15 3.39 2ba9A1 PHE 273 HB3 0.13 -0.19 -0.30 -0.04 3.06 2.66 2ba9A1 PHE 273 HD2 0.16 0.02 -0.17 -0.04 7.28 7.25 2ba9A1 PHE 273 HE2 -0.21 0.01 -0.09 -0.04 7.38 7.05 2ba9A1 PHE 273 HZ -1.16 0.05 -0.09 -0.04 7.32 6.08 2ba9A1 SER 274 H 0.15 0.51 -0.32 -0.55 8.46 8.26 2ba9A1 SER 274 HA 0.11 0.00 0.50 -0.75 4.49 4.36 2ba9A1 SER 274 HB2 0.03 0.13 -0.01 -0.04 3.95 4.05 2ba9A1 SER 274 HB3 0.04 -0.09 0.05 -0.04 3.93 3.89 2ba9A1 LYS 275 H 0.22 0.39 -0.51 -0.55 8.42 7.97 2ba9A1 LYS 275 HA 0.02 0.11 0.67 -0.75 4.32 4.37 2ba9A1 LYS 275 HB2 0.36 0.14 0.08 -0.04 1.87 2.41 2ba9A1 LYS 275 HB3 0.03 -0.19 0.14 -0.04 1.79 1.73 2ba9A1 LYS 275 HG2 0.00 -0.07 0.04 -0.04 1.46 1.39 2ba9A1 LYS 275 HG3 0.01 0.24 0.09 -0.04 1.46 1.77 2ba9A1 LYS 275 HD2 0.27 0.00 0.08 -0.04 1.69 2.00 2ba9A1 LYS 275 HD3 0.12 -0.15 0.04 -0.04 1.68 1.65 2ba9A1 LYS 275 HE2 -0.52 0.24 -0.05 -0.04 2.99 2.62 2ba9A1 LYS 275 HE3 -0.61 -0.06 -0.04 -0.04 2.99 2.25 2ba9A1 ILE 276 H 0.11 0.31 -0.30 -0.55 8.25 7.82 2ba9A1 ILE 276 HA -0.29 0.07 0.44 -0.75 4.18 3.65 2ba9A1 ILE 276 HB 0.06 0.06 0.13 -0.04 1.89 2.10 2ba9A1 ILE 276 HG12 -0.20 -0.01 -0.05 -0.04 1.49 1.19 2ba9A1 ILE 276 HG13 0.25 0.10 0.09 -0.04 1.21 1.60 2ba9A1 ILE 276 HG23 -0.08 -0.05 -0.13 -0.04 0.93 0.62 2ba9A1 ILE 276 HD13 0.07 -0.04 0.02 -0.04 0.88 0.89 2ba9A1 ILE 277 H -0.39 0.73 0.49 -0.55 8.25 8.53 2ba9A1 ILE 277 HA -0.11 0.14 0.85 -0.75 4.18 4.31 2ba9A1 ILE 277 HB -0.28 0.00 0.05 -0.04 1.89 1.63 2ba9A1 ILE 277 HG12 -0.43 0.08 0.13 -0.04 1.49 1.23 2ba9A1 ILE 277 HG13 -1.11 -0.02 -0.09 -0.04 1.21 -0.05 2ba9A1 ILE 277 HG23 -0.13 0.03 -0.06 -0.04 0.93 0.73 2ba9A1 ILE 277 HD13 -0.19 -0.03 -0.11 -0.04 0.88 0.50 2ba9A1 HIS 278 H -0.24 0.20 0.16 -0.55 8.41 7.99 2ba9A1 HIS 278 HA -0.27 0.36 0.85 -0.75 4.63 4.81 2ba9A1 HIS 278 HB2 -0.66 0.11 0.04 -0.04 3.26 2.70 2ba9A1 HIS 278 HB3 -0.45 -0.09 -0.22 -0.04 3.20 2.40 2ba9A1 HIS 278 HD2 -0.06 0.21 -0.15 -0.04 6.97 6.92 2ba9A1 HIS 278 HE1 0.11 0.02 -0.05 -0.04 7.75 7.78 2ba9A1 GLN 279 H 0.06 0.89 0.27 -0.55 8.47 9.14 2ba9A1 GLN 279 HA 0.03 0.07 0.82 -0.75 4.36 4.52 2ba9A1 GLN 279 HB2 0.32 -0.07 -0.03 -0.04 2.15 2.33 2ba9A1 GLN 279 HB3 0.15 -0.01 -0.02 -0.04 2.02 2.10 2ba9A1 GLN 279 HG2 0.26 0.09 -0.11 -0.04 2.40 2.60 2ba9A1 GLN 279 HG3 0.31 0.11 -0.08 -0.04 2.39 2.69 2ba9A1 GLN 279 HE21 0.21 -0.09 -0.06 -0.04 6.97 6.99 2ba9A1 GLN 279 HE22 0.13 0.10 -0.24 -0.04 7.69 7.64 2ba9A1 GLN 280 H 0.06 0.11 0.13 -0.55 8.47 8.23 2ba9A1 GLN 280 HA 0.20 0.29 0.87 -0.75 4.36 4.97 2ba9A1 GLN 280 HB2 0.07 -0.14 0.20 -0.04 2.15 2.23 2ba9A1 GLN 280 HB3 0.09 0.03 0.05 -0.04 2.02 2.15 2ba9A1 GLN 280 HG2 0.16 0.06 -0.08 -0.04 2.40 2.49 2ba9A1 GLN 280 HG3 -0.06 0.01 -0.12 -0.04 2.39 2.17 2ba9A1 GLN 280 HE21 0.02 0.00 -0.02 -0.04 6.97 6.94 2ba9A1 GLN 280 HE22 -0.06 0.02 -0.04 -0.04 7.69 7.57 2ba9A1 TYR 281 H 0.29 0.45 0.11 -0.55 8.29 8.59 2ba9A1 TYR 281 HA -0.01 0.19 0.84 -0.75 4.56 4.82 2ba9A1 TYR 281 HB2 -0.22 0.00 -0.01 -0.04 3.06 2.79 2ba9A1 TYR 281 HB3 -0.21 -0.07 0.15 -0.04 2.98 2.81 2ba9A1 TYR 281 HD2 -0.85 0.01 -0.03 -0.04 7.15 6.24 2ba9A1 TYR 281 HE2 -0.25 0.00 -0.16 -0.04 6.85 6.40 2ba9A1 MET 282 H 0.04 0.66 0.42 -0.55 8.47 9.04 2ba9A1 MET 282 HA -0.11 0.28 1.11 -0.75 4.52 5.05 2ba9A1 MET 282 HB2 -0.03 -0.08 -0.06 -0.04 2.15 1.95 2ba9A1 MET 282 HB3 -0.04 0.00 0.07 -0.04 2.03 2.02 2ba9A1 MET 282 HG2 -0.11 0.01 -0.36 -0.04 2.63 2.14 2ba9A1 MET 282 HG3 -0.13 0.06 -0.20 -0.04 2.56 2.25 2ba9A1 MET 282 HE3 -0.06 0.01 -0.18 -0.04 2.10 1.83 2ba9A1 VAL 283 H -0.19 0.65 0.49 -0.55 8.24 8.64 2ba9A1 VAL 283 HA -0.42 0.47 1.15 -0.75 4.13 4.58 2ba9A1 VAL 283 HB -0.01 -0.09 0.22 -0.04 2.12 2.21 2ba9A1 VAL 283 HG13 -0.30 0.01 -0.04 -0.04 0.97 0.60 2ba9A1 VAL 283 HG23 -0.06 0.04 -0.05 -0.04 0.95 0.84 2ba9A1 ASP 284 H -0.27 0.46 0.38 -0.55 8.40 8.42 2ba9A1 ASP 284 HA -0.12 0.24 1.07 -0.75 4.63 5.07 2ba9A1 ASP 284 HB2 -0.12 -0.03 0.15 -0.04 2.71 2.67 2ba9A1 ASP 284 HB3 -0.10 0.03 -0.01 -0.04 2.70 2.58 2ba9A1 ALA 285 H -0.09 0.74 0.34 -0.55 8.40 8.85 2ba9A1 ALA 285 HA -0.13 0.14 0.80 -0.75 4.34 4.39 2ba9A1 ALA 285 HB3 -0.19 -0.03 0.05 -0.04 1.41 1.19 2ba9A1 CYS 286 H -0.14 0.57 0.30 -0.55 8.50 8.69 2ba9A1 CYS 286 HA -0.12 0.18 1.06 -0.75 4.58 4.94 2ba9A1 CYS 286 HB2 -0.07 0.15 0.15 -0.04 2.97 3.15 2ba9A1 CYS 286 HB3 -0.06 0.06 -0.06 -0.04 2.97 2.88 2ba9A1 LEU 287 H -0.11 0.46 0.34 -0.55 8.37 8.52 2ba9A1 LEU 287 HA -0.02 0.24 0.71 -0.75 4.35 4.52 2ba9A1 LEU 287 HB2 -0.04 -0.14 0.14 -0.04 1.64 1.56 2ba9A1 LEU 287 HB3 0.01 0.09 0.02 -0.04 1.64 1.72 2ba9A1 LEU 287 HG -0.20 -0.09 -0.05 -0.04 1.64 1.25 2ba9A1 LEU 287 HD13 -0.02 -0.01 -0.04 -0.04 0.93 0.82 2ba9A1 LEU 287 HD23 -0.20 0.05 -0.14 -0.04 0.89 0.56 2ba9A1 VAL 288 H 0.09 0.32 0.09 -0.55 8.24 8.20 2ba9A1 VAL 288 HA 0.03 0.08 0.93 -0.75 4.13 4.41 2ba9A1 VAL 288 HB 0.06 0.30 -0.23 -0.04 2.12 2.21 2ba9A1 VAL 288 HG13 -0.03 -0.03 -0.26 -0.04 0.97 0.61 2ba9A1 VAL 288 HG23 0.18 -0.02 -0.15 -0.04 0.95 0.91 2ba9A1 LYS 289 H 0.05 0.61 0.17 -0.55 8.42 8.69 2ba9A1 LYS 289 HA 0.08 0.09 0.71 -0.75 4.32 4.45 2ba9A1 LYS 289 HB2 0.05 -0.04 0.02 -0.04 1.87 1.85 2ba9A1 LYS 289 HB3 0.05 -0.04 0.08 -0.04 1.79 1.84 2ba9A1 LYS 289 HG2 0.03 -0.00 -0.11 -0.04 1.46 1.33 2ba9A1 LYS 289 HG3 0.03 0.06 -0.04 -0.04 1.46 1.47 2ba9A1 LYS 289 HD2 0.02 -0.02 -0.06 -0.04 1.69 1.59 2ba9A1 LYS 289 HD3 0.02 -0.04 -0.05 -0.04 1.68 1.57 2ba9A1 LYS 289 HE2 0.01 -0.00 -0.15 -0.04 2.99 2.81 2ba9A1 LYS 289 HE3 0.01 -0.04 -0.06 -0.04 2.99 2.85 2ba9A1 GLU 290 H 0.08 0.03 0.05 -0.55 8.60 8.21 2ba9A1 GLU 290 HA 0.11 -0.07 0.35 -0.75 4.29 3.93 2ba9A1 GLU 290 HB2 0.06 0.14 0.07 -0.04 2.09 2.32 2ba9A1 GLU 290 HB3 0.11 0.19 0.29 -0.04 1.99 2.54 2ba9A1 GLU 290 HG2 0.02 0.02 0.02 -0.04 2.34 2.36 2ba9A1 GLU 290 HG3 0.04 -0.02 0.06 -0.04 2.34 2.38 2ba9A1 TYR 291 H 0.21 -0.02 0.02 -0.55 8.29 7.96 2ba9A1 TYR 291 HA 0.02 0.13 0.36 -0.75 4.56 4.31 2ba9A1 TYR 291 HB2 -0.00 -0.03 0.15 -0.04 3.06 3.14 2ba9A1 TYR 291 HB3 0.03 -0.05 0.07 -0.04 2.98 2.98 2ba9A1 TYR 291 HD2 0.07 -0.00 -0.05 -0.04 7.15 7.12 2ba9A1 TYR 291 HE2 0.05 0.07 -0.13 -0.04 6.85 6.79 2ba9A1 PRO 292 HA -0.19 0.06 0.55 -0.51 4.44 4.36 2ba9A1 PRO 292 HB2 -0.41 0.03 -0.02 -0.04 2.28 1.84 2ba9A1 PRO 292 HB3 -0.67 0.06 0.10 -0.04 2.02 1.47 2ba9A1 PRO 292 HG2 -0.37 -0.06 -0.01 -0.04 2.03 1.55 2ba9A1 PRO 292 HG3 -0.70 0.04 0.01 -0.04 2.03 1.34 2ba9A1 PRO 292 HD2 -0.44 0.03 0.17 -0.04 3.68 3.40 2ba9A1 PRO 292 HD3 -0.38 0.32 0.17 -0.04 3.65 3.71 2ba9A1 THR 293 H -0.19 0.13 0.14 -0.55 8.28 7.82 2ba9A1 THR 293 HA -0.28 0.21 0.75 -0.75 4.39 4.32 2ba9A1 THR 293 HB -0.06 -0.03 0.13 -0.04 4.32 4.32 2ba9A1 THR 293 HG23 0.03 0.03 -0.04 -0.04 1.22 1.20 2ba9A1 ILE 294 H -0.52 0.23 -0.08 -0.55 8.25 7.33 2ba9A1 ILE 294 HA -0.18 0.11 0.50 -0.75 4.18 3.85 2ba9A1 ILE 294 HB -0.11 0.07 -0.37 -0.04 1.89 1.44 2ba9A1 ILE 294 HG12 -0.08 0.08 -0.17 -0.04 1.49 1.28 2ba9A1 ILE 294 HG13 -0.04 0.01 -0.11 -0.04 1.21 1.03 2ba9A1 ILE 294 HG23 -0.08 0.00 -0.20 -0.04 0.93 0.61 2ba9A1 ILE 294 HD13 -0.05 -0.02 -0.19 -0.04 0.88 0.58 2ba9A1 SER 295 H -0.02 0.35 0.27 -0.55 8.46 8.52 2ba9A1 SER 295 HA -0.05 0.07 0.70 -0.75 4.49 4.45 2ba9A1 SER 295 HB2 0.01 0.16 0.30 -0.04 3.95 4.38 2ba9A1 SER 295 HB3 -0.10 0.17 0.30 -0.04 3.93 4.26 2ba9A1 GLY 296 H -0.99 0.39 0.34 -0.55 8.43 7.62 2ba9A1 GLY 296 HA2 -0.36 0.16 1.04 -0.51 4.01 4.33 2ba9A1 GLY 296 HA3 -0.77 0.05 0.27 -0.51 4.01 3.05 2ba9A1 TYR 297 H -0.27 0.66 0.44 -0.55 8.29 8.57 2ba9A1 TYR 297 HA -0.20 0.22 1.07 -0.75 4.56 4.90 2ba9A1 TYR 297 HB2 -0.80 0.03 0.19 -0.04 3.06 2.43 2ba9A1 TYR 297 HB3 -0.01 -0.06 0.09 -0.04 2.98 2.96 2ba9A1 TYR 297 HD2 -0.20 -0.02 -0.06 -0.04 7.15 6.83 2ba9A1 TYR 297 HE2 0.07 0.09 -0.15 -0.04 6.85 6.81 2ba9A1 VAL 298 H 0.10 0.59 0.18 -0.55 8.24 8.56 2ba9A1 VAL 298 HA 0.12 0.38 1.00 -0.75 4.13 4.88 2ba9A1 VAL 298 HB 0.12 0.06 0.18 -0.04 2.12 2.44 2ba9A1 VAL 298 HG13 0.15 -0.04 -0.23 -0.04 0.97 0.80 2ba9A1 VAL 298 HG23 -0.22 0.03 -0.45 -0.04 0.95 0.27 2ba9A1 PRO 299 HA 0.16 0.06 0.46 -0.51 4.44 4.62 2ba9A1 PRO 299 HB2 0.18 -0.01 0.04 -0.04 2.28 2.45 2ba9A1 PRO 299 HB3 0.13 0.03 0.07 -0.04 2.02 2.20 2ba9A1 PRO 299 HG2 0.12 0.04 0.05 -0.04 2.03 2.20 2ba9A1 PRO 299 HG3 0.23 0.06 0.05 -0.04 2.03 2.33 2ba9A1 PRO 299 HD2 0.29 0.29 0.20 -0.04 3.68 4.42 2ba9A1 PRO 299 HD3 0.41 0.11 -0.24 -0.04 3.65 3.89 2ba9A1 ASP 300 H 0.18 0.22 -0.13 -0.55 8.40 8.12 2ba9A1 ASP 300 HA 0.12 0.02 0.40 -0.75 4.63 4.41 2ba9A1 ASP 300 HB2 0.15 0.06 0.05 -0.04 2.71 2.93 2ba9A1 ASP 300 HB3 0.10 0.07 -0.00 -0.04 2.70 2.82 2ba9A1 ASN 301 H 0.14 0.39 -0.44 -0.55 8.53 8.08 2ba9A1 ASN 301 HA 0.10 0.07 0.51 -0.75 4.76 4.68 2ba9A1 ASN 301 HB2 0.18 0.15 0.07 -0.04 2.88 3.24 2ba9A1 ASN 301 HB3 0.20 0.01 -0.12 -0.04 2.79 2.84 2ba9A1 ASN 301 HD21 0.23 -0.02 0.04 -0.04 7.03 7.23 2ba9A1 ASN 301 HD22 0.37 0.51 0.06 -0.04 7.74 8.64 2ba9A1 MET 302 H 0.13 0.43 -0.31 -0.55 8.47 8.17 2ba9A1 MET 302 HA 0.14 0.15 0.64 -0.75 4.52 4.69 2ba9A1 MET 302 HB2 0.10 0.11 0.07 -0.04 2.15 2.39 2ba9A1 MET 302 HB3 0.02 -0.14 0.07 -0.04 2.03 1.94 2ba9A1 MET 302 HG2 0.08 -0.02 -0.10 -0.04 2.63 2.55 2ba9A1 MET 302 HG3 0.13 0.22 -0.08 -0.04 2.56 2.80 2ba9A1 MET 302 HE3 0.30 0.05 -0.10 -0.04 2.10 2.31 2ba9A1 ARG 303 H 0.12 0.28 -0.21 -0.55 8.46 8.10 2ba9A1 ARG 303 HA 0.15 0.05 0.63 -0.75 4.34 4.42 2ba9A1 ARG 303 HB2 0.06 0.12 0.07 -0.04 1.90 2.11 2ba9A1 ARG 303 HB3 0.05 -0.15 -0.00 -0.04 1.80 1.66 2ba9A1 ARG 303 HG2 0.09 -0.05 0.04 -0.04 1.67 1.71 2ba9A1 ARG 303 HG3 0.09 0.16 0.09 -0.04 1.67 1.98 2ba9A1 ARG 303 HD2 0.05 -0.07 0.01 -0.04 3.22 3.17 2ba9A1 ARG 303 HD3 0.06 -0.04 0.01 -0.04 3.22 3.22 2ba9A1 PRO 304 HA -0.52 0.12 0.34 -0.51 4.44 3.87 2ba9A1 PRO 304 HB2 -0.11 0.05 -0.00 -0.04 2.28 2.18 2ba9A1 PRO 304 HB3 -0.92 0.01 0.06 -0.04 2.02 1.13 2ba9A1 PRO 304 HG2 0.04 0.02 0.08 -0.04 2.03 2.13 2ba9A1 PRO 304 HG3 -0.12 -0.00 0.09 -0.04 2.03 1.96 2ba9A1 PRO 304 HD2 0.06 0.09 0.20 -0.04 3.68 3.98 2ba9A1 PRO 304 HD3 0.19 0.17 0.27 -0.04 3.65 4.24 2ba9A1 GLU 305 H -0.04 0.07 -0.28 -0.55 8.60 7.81 2ba9A1 GLU 305 HA -0.09 0.09 0.41 -0.75 4.29 3.94 2ba9A1 GLU 305 HB2 0.02 -0.02 -0.04 -0.04 2.09 2.01 2ba9A1 GLU 305 HB3 0.02 0.06 0.02 -0.04 1.99 2.05 2ba9A1 GLU 305 HG2 0.06 0.03 0.01 -0.04 2.34 2.39 2ba9A1 GLU 305 HG3 0.11 0.03 0.01 -0.04 2.34 2.45 2ba9A1 ARG 306 H -0.03 0.48 -0.59 -0.55 8.46 7.76 2ba9A1 ARG 306 HA 0.10 0.18 0.80 -0.75 4.34 4.66 2ba9A1 ARG 306 HB2 0.08 0.08 0.02 -0.04 1.90 2.03 2ba9A1 ARG 306 HB3 0.09 -0.05 0.17 -0.04 1.80 1.97 2ba9A1 ARG 306 HG2 0.02 -0.17 -0.24 -0.04 1.67 1.24 2ba9A1 ARG 306 HG3 0.02 0.17 -0.01 -0.04 1.67 1.81 2ba9A1 ARG 306 HD2 -0.00 0.13 -0.03 -0.04 3.22 3.27 2ba9A1 ARG 306 HD3 -0.03 -0.06 -0.09 -0.04 3.22 2.99 2ba9A1 LEU 307 H -0.19 0.32 -0.27 -0.55 8.37 7.68 2ba9A1 LEU 307 HA 0.03 -0.01 0.40 -0.75 4.35 4.01 2ba9A1 LEU 307 HB2 -0.34 0.06 0.10 -0.04 1.64 1.42 2ba9A1 LEU 307 HB3 -0.27 -0.01 -0.00 -0.04 1.64 1.32 2ba9A1 LEU 307 HG -0.02 0.12 -0.24 -0.04 1.64 1.46 2ba9A1 LEU 307 HD13 0.07 -0.05 -0.14 -0.04 0.93 0.77 2ba9A1 LEU 307 HD23 -0.04 -0.06 -0.36 -0.04 0.89 0.39 2ba9A1 GLY 308 H 0.05 0.17 0.32 -0.55 8.43 8.42 2ba9A1 GLY 308 HA2 -0.02 -0.01 0.36 -0.51 4.01 3.83 2ba9A1 GLY 308 HA3 -0.09 0.07 0.73 -0.51 4.01 4.21 2ba9A1 HIS 309 H 0.12 0.51 -0.08 -0.55 8.41 8.42 2ba9A1 HIS 309 HA 0.04 0.04 0.64 -0.75 4.63 4.59 2ba9A1 HIS 309 HB2 0.07 0.25 0.17 -0.04 3.26 3.71 2ba9A1 HIS 309 HB3 0.11 0.01 0.07 -0.04 3.20 3.34 2ba9A1 HIS 309 HD2 0.01 0.09 -0.06 -0.04 6.97 6.96 2ba9A1 HIS 309 HE1 -0.01 -0.03 -0.01 -0.04 7.75 7.65 2ba9A1 VAL 310 H 0.21 0.10 0.12 -0.55 8.24 8.12 2ba9A1 VAL 310 HA 0.17 0.17 0.61 -0.75 4.13 4.32 2ba9A1 VAL 310 HB 0.37 -0.02 0.10 -0.04 2.12 2.53 2ba9A1 VAL 310 HG13 0.34 -0.02 -0.15 -0.04 0.97 1.10 2ba9A1 VAL 310 HG23 0.09 0.00 -0.01 -0.04 0.95 1.00 2ba9A1 MET 311 H 0.17 0.66 0.49 -0.55 8.47 9.24 2ba9A1 MET 311 HA 0.15 0.12 0.69 -0.75 4.52 4.73 2ba9A1 MET 311 HB2 0.11 0.09 0.12 -0.04 2.15 2.42 2ba9A1 MET 311 HB3 0.10 -0.16 0.02 -0.04 2.03 1.95 2ba9A1 MET 311 HG2 0.15 0.19 -0.29 -0.04 2.63 2.64 2ba9A1 MET 311 HG3 0.15 0.13 0.12 -0.04 2.56 2.92 2ba9A1 MET 311 HE3 0.11 0.01 -0.03 -0.04 2.10 2.15 2ba9A1 VAL 312 H 0.12 0.29 0.25 -0.55 8.24 8.35 2ba9A1 VAL 312 HA -0.31 0.28 0.75 -0.75 4.13 4.09 2ba9A1 VAL 312 HB -0.58 0.01 -0.02 -0.04 2.12 1.49 2ba9A1 VAL 312 HG13 -0.29 -0.03 -0.15 -0.04 0.97 0.47 2ba9A1 VAL 312 HG23 -0.96 0.02 -0.07 -0.04 0.95 -0.11 2ba9A1 TYR 313 H -0.54 0.58 0.41 -0.55 8.29 8.19 2ba9A1 TYR 313 HA 0.21 0.23 0.80 -0.75 4.56 5.05 2ba9A1 TYR 313 HB2 0.04 0.09 0.08 -0.04 3.06 3.23 2ba9A1 TYR 313 HB3 0.09 -0.03 0.09 -0.04 2.98 3.09 2ba9A1 TYR 313 HD2 0.03 -0.02 -0.24 -0.04 7.15 6.88 2ba9A1 TYR 313 HE2 -0.22 0.09 -0.06 -0.04 6.85 6.62 2ba9A1 TYR 314 H 0.38 0.68 0.32 -0.55 8.29 9.12 2ba9A1 TYR 314 HA -0.01 0.08 0.89 -0.75 4.56 4.77 2ba9A1 TYR 314 HB2 0.06 0.01 -0.04 -0.04 3.06 3.05 2ba9A1 TYR 314 HB3 0.19 -0.05 0.23 -0.04 2.98 3.30 2ba9A1 TYR 314 HD2 0.04 0.00 0.01 -0.04 7.15 7.16 2ba9A1 TYR 314 HE2 -0.04 0.02 -0.03 -0.04 6.85 6.76 2ba9A1 HIS 315 H 0.17 0.16 0.16 -0.55 8.41 8.36 2ba9A1 HIS 315 HA -0.25 0.14 0.69 -0.75 4.63 4.45 2ba9A1 HIS 315 HB2 -0.11 0.10 -0.34 -0.04 3.26 2.88 2ba9A1 HIS 315 HB3 -0.08 -0.08 -0.09 -0.04 3.20 2.91 2ba9A1 HIS 315 HD2 -0.77 0.02 -0.18 -0.04 6.97 6.00 2ba9A1 HIS 315 HE1 0.02 -0.02 -0.20 -0.04 7.75 7.50 2ba9A1 ARG 316 H -0.53 0.21 0.08 -0.55 8.46 7.66 2ba9A1 ARG 316 HA -0.67 0.19 0.58 -0.75 4.34 3.69 2ba9A1 ARG 316 HB2 -1.39 -0.04 -0.03 -0.04 1.90 0.40 2ba9A1 ARG 316 HB3 -0.67 0.05 0.17 -0.04 1.80 1.30 2ba9A1 ARG 316 HG2 -2.20 0.01 -0.15 -0.04 1.67 -0.72 2ba9A1 ARG 316 HG3 -0.85 0.00 0.00 -0.04 1.67 0.78 2ba9A1 ARG 316 HD2 -0.02 -0.06 0.04 -0.04 3.22 3.14 2ba9A1 ARG 316 HD3 -0.20 -0.05 0.10 -0.04 3.22 3.03 2ba9A1 TRP 317 H -0.17 0.18 0.09 -0.55 7.97 7.51 2ba9A1 TRP 317 HA -0.05 0.14 0.89 -0.75 4.62 4.85 2ba9A1 TRP 317 HB2 0.01 0.04 0.21 -0.04 3.23 3.45 2ba9A1 TRP 317 HB3 0.01 -0.04 0.07 -0.04 3.23 3.23 2ba9A1 TRP 317 HD1 0.05 -0.05 0.03 -0.04 7.22 7.21 2ba9A1 TRP 317 HE1 0.13 0.12 -0.18 -0.04 10.20 10.22 2ba9A1 TRP 317 HE3 0.01 -0.05 0.08 -0.04 7.59 7.60 2ba9A1 TRP 317 HZ2 0.09 0.15 0.19 -0.04 7.44 7.83 2ba9A1 TRP 317 HZ3 0.04 -0.02 0.06 -0.04 7.13 7.17 2ba9A1 TRP 317 HH2 0.07 -0.02 0.16 -0.04 7.19 7.35 2ba9A1 ALA 318 H 0.11 0.23 0.06 -0.55 8.40 8.26 2ba9A1 ALA 318 HA 0.07 0.16 0.16 -0.75 4.34 3.98 2ba9A1 ALA 318 HB3 0.17 0.03 0.01 -0.04 1.41 1.57 2ba9A1 ASP 319 H 0.18 0.01 -0.25 -0.55 8.40 7.80 2ba9A1 ASP 319 HA 0.09 0.18 0.46 -0.75 4.63 4.61 2ba9A1 ASP 319 HB2 0.04 0.01 0.13 -0.04 2.71 2.86 2ba9A1 ASP 319 HB3 0.09 -0.01 0.04 -0.04 2.70 2.78 2ba9A1 ASP 320 H 0.09 0.34 -0.45 -0.55 8.40 7.83 2ba9A1 ASP 320 HA -0.11 0.23 0.92 -0.75 4.63 4.91 2ba9A1 ASP 320 HB2 -0.03 0.05 -0.20 -0.04 2.71 2.50 2ba9A1 ASP 320 HB3 0.01 -0.01 0.06 -0.04 2.70 2.71 2ba9A1 PRO 321 HA -2.17 0.18 0.40 -0.51 4.44 2.34 2ba9A1 PRO 321 HB2 -0.57 0.01 0.02 -0.04 2.28 1.70 2ba9A1 PRO 321 HB3 -0.27 0.03 0.14 -0.04 2.02 1.87 2ba9A1 PRO 321 HG2 -0.28 0.01 0.06 -0.04 2.03 1.77 2ba9A1 PRO 321 HG3 -0.16 0.09 0.03 -0.04 2.03 1.96 2ba9A1 PRO 321 HD2 -0.35 0.06 0.15 -0.04 3.68 3.50 2ba9A1 PRO 321 HD3 -0.17 0.25 0.10 -0.04 3.65 3.78 2ba9A1 HIS 322 H -0.31 0.02 -0.55 -0.55 8.41 7.03 2ba9A1 HIS 322 HA -0.06 0.23 0.84 -0.75 4.63 4.89 2ba9A1 HIS 322 HB2 0.03 -0.02 0.00 -0.04 3.26 3.23 2ba9A1 HIS 322 HB3 0.06 -0.02 0.15 -0.04 3.20 3.34 2ba9A1 HIS 322 HD2 -0.02 -0.00 -0.02 -0.04 6.97 6.88 2ba9A1 HIS 322 HE1 -0.01 -0.00 -0.03 -0.04 7.75 7.66 2ba9A1 GLN 323 H -0.19 0.36 -0.13 -0.55 8.47 7.96 2ba9A1 GLN 323 HA 0.20 0.10 0.74 -0.75 4.36 4.65 2ba9A1 GLN 323 HB2 0.16 0.29 0.18 -0.04 2.15 2.74 2ba9A1 GLN 323 HB3 0.36 -0.03 0.10 -0.04 2.02 2.41 2ba9A1 GLN 323 HG2 0.08 -0.05 -0.04 -0.04 2.40 2.34 2ba9A1 GLN 323 HG3 0.09 -0.04 0.05 -0.04 2.39 2.44 2ba9A1 GLN 323 HE21 0.08 0.39 0.05 -0.04 6.97 7.45 2ba9A1 GLN 323 HE22 -0.06 -0.00 0.02 -0.04 7.69 7.60 2ba9A1 ILE 324 H 0.14 0.05 0.11 -0.55 8.25 8.01 2ba9A1 ILE 324 HA -0.13 0.29 0.39 -0.75 4.18 3.98 2ba9A1 ILE 324 HB -0.14 -0.06 0.08 -0.04 1.89 1.73 2ba9A1 ILE 324 HG12 -0.42 -0.01 -0.03 -0.04 1.49 0.99 2ba9A1 ILE 324 HG13 -1.24 -0.02 -0.11 -0.04 1.21 -0.20 2ba9A1 ILE 324 HG23 -0.37 -0.03 -0.23 -0.04 0.93 0.26 2ba9A1 ILE 324 HD13 -0.69 0.01 -0.29 -0.04 0.88 -0.13 2ba9A1 ILE 325 H -0.06 0.70 0.41 -0.55 8.25 8.76 2ba9A1 ILE 325 HA -0.06 0.28 0.99 -0.75 4.18 4.64 2ba9A1 ILE 325 HB -0.05 -0.02 0.16 -0.04 1.89 1.95 2ba9A1 ILE 325 HG12 0.13 0.07 -0.17 -0.04 1.49 1.48 2ba9A1 ILE 325 HG13 -0.11 0.02 -0.01 -0.04 1.21 1.07 2ba9A1 ILE 325 HG23 -0.05 0.01 -0.16 -0.04 0.93 0.69 2ba9A1 ILE 325 HD13 -0.32 0.00 0.01 -0.04 0.88 0.54 2ba9A1 THR 326 H 0.07 0.27 0.29 -0.55 8.28 8.36 2ba9A1 THR 326 HA -0.10 0.32 1.16 -0.75 4.39 5.01 2ba9A1 THR 326 HB -0.30 0.05 0.08 -0.04 4.32 4.11 2ba9A1 THR 326 HG23 0.09 0.05 -0.03 -0.04 1.22 1.28 2ba9A1 THR 327 H -0.26 0.51 0.50 -0.55 8.28 8.48 2ba9A1 THR 327 HA 0.08 0.23 1.15 -0.75 4.39 5.10 2ba9A1 THR 327 HB 0.05 -0.01 0.14 -0.04 4.32 4.46 2ba9A1 THR 327 HG23 -0.01 0.04 -0.05 -0.04 1.22 1.15 2ba9A1 TYR 328 H 0.16 0.37 0.37 -0.55 8.29 8.63 2ba9A1 TYR 328 HA -0.17 0.31 1.05 -0.75 4.56 4.99 2ba9A1 TYR 328 HB2 -0.04 -0.04 0.18 -0.04 3.06 3.11 2ba9A1 TYR 328 HB3 -0.04 0.06 0.02 -0.04 2.98 2.98 2ba9A1 TYR 328 HD2 -0.33 0.12 -0.16 -0.04 7.15 6.74 2ba9A1 TYR 328 HE2 -0.06 0.01 -0.18 -0.04 6.85 6.58 2ba9A1 LEU 329 H 0.00 0.55 0.39 -0.55 8.37 8.76 2ba9A1 LEU 329 HA 0.16 0.18 0.77 -0.75 4.35 4.71 2ba9A1 LEU 329 HB2 0.07 0.00 -0.19 -0.04 1.64 1.48 2ba9A1 LEU 329 HB3 0.07 -0.01 -0.37 -0.04 1.64 1.29 2ba9A1 LEU 329 HG -0.01 0.03 -0.01 -0.04 1.64 1.60 2ba9A1 LEU 329 HD13 0.02 -0.04 -0.31 -0.04 0.93 0.55 2ba9A1 LEU 329 HD23 -0.03 0.04 -0.15 -0.04 0.89 0.72 2ba9A1 LEU 330 H 0.14 0.23 0.23 -0.55 8.37 8.42 2ba9A1 LEU 330 HA 0.19 0.24 1.15 -0.75 4.35 5.18 2ba9A1 LEU 330 HB2 0.17 0.03 0.14 -0.04 1.64 1.94 2ba9A1 LEU 330 HB3 0.17 -0.01 0.03 -0.04 1.64 1.79 2ba9A1 LEU 330 HG 0.04 0.04 -0.11 -0.04 1.64 1.56 2ba9A1 LEU 330 HD13 0.02 -0.02 -0.05 -0.04 0.93 0.84 2ba9A1 LEU 330 HD23 0.06 0.07 -0.05 -0.04 0.89 0.93 2ba9A1 ARG 331 H 0.10 0.54 0.38 -0.55 8.46 8.93 2ba9A1 ARG 331 HA 0.04 0.17 0.76 -0.75 4.34 4.55 2ba9A1 ARG 331 HB2 0.06 0.02 0.17 -0.04 1.90 2.11 2ba9A1 ARG 331 HB3 0.03 0.06 0.18 -0.04 1.80 2.03 2ba9A1 ARG 331 HG2 0.01 0.01 -0.14 -0.04 1.67 1.52 2ba9A1 ARG 331 HG3 0.04 0.02 -0.14 -0.04 1.67 1.55 2ba9A1 ARG 331 HD2 -0.00 -0.05 -0.14 -0.04 3.22 2.99 2ba9A1 ARG 331 HD3 0.02 -0.03 -0.12 -0.04 3.22 3.05 2ba9A1 ASN 332 H 0.10 0.14 0.08 -0.55 8.53 8.30 2ba9A1 ASN 332 HA 0.08 0.24 0.91 -0.75 4.76 5.24 2ba9A1 ASN 332 HB2 0.02 0.08 0.05 -0.04 2.88 2.99 2ba9A1 ASN 332 HB3 0.02 -0.00 -0.13 -0.04 2.79 2.64 2ba9A1 ASN 332 HD21 0.04 0.02 -0.05 -0.04 7.03 7.00 2ba9A1 ASN 332 HD22 -0.00 0.02 -0.15 -0.04 7.74 7.57 2ba9A1 HIS 333 H 0.16 0.48 0.14 -0.55 8.41 8.65 2ba9A1 HIS 333 HA 0.10 0.08 0.44 -0.75 4.63 4.49 2ba9A1 HIS 333 HB2 -0.05 0.17 -0.07 -0.04 3.26 3.27 2ba9A1 HIS 333 HB3 0.17 0.02 -0.04 -0.04 3.20 3.30 2ba9A1 HIS 333 HD2 -0.59 0.03 0.07 -0.04 6.97 6.43 2ba9A1 HIS 333 HE1 0.10 0.06 -0.01 -0.04 7.75 7.85 2ba9A1 PRO 334 HA 0.02 0.15 0.47 -0.51 4.44 4.56 2ba9A1 PRO 334 HB2 -0.04 0.02 0.00 -0.04 2.28 2.22 2ba9A1 PRO 334 HB3 -0.02 0.06 0.11 -0.04 2.02 2.12 2ba9A1 PRO 334 HG2 -0.12 -0.00 0.07 -0.04 2.03 1.94 2ba9A1 PRO 334 HG3 -0.06 0.09 0.07 -0.04 2.03 2.09 2ba9A1 PRO 334 HD2 -1.13 0.04 0.19 -0.04 3.68 2.75 2ba9A1 PRO 334 HD3 -0.21 0.14 0.17 -0.04 3.65 3.71 2ba9A1 ASP 335 H 0.63 0.01 -0.30 -0.55 8.40 8.19 2ba9A1 ASP 335 HA -0.01 0.17 0.56 -0.75 4.63 4.59 2ba9A1 ASP 335 HB2 0.17 -0.05 0.00 -0.04 2.71 2.80 2ba9A1 ASP 335 HB3 -0.27 0.03 0.08 -0.04 2.70 2.51 2ba9A1 TYR 336 H 0.28 0.39 -0.32 -0.55 8.29 8.08 2ba9A1 TYR 336 HA 0.03 0.14 0.88 -0.75 4.56 4.86 2ba9A1 TYR 336 HB2 0.04 -0.06 -0.08 -0.04 3.06 2.92 2ba9A1 TYR 336 HB3 0.01 0.13 0.01 -0.04 2.98 3.09 2ba9A1 TYR 336 HD2 -0.06 -0.09 -0.10 -0.04 7.15 6.86 2ba9A1 TYR 336 HE2 -0.21 -0.07 -0.11 -0.04 6.85 6.42 2ba9A1 ALA 337 H 0.14 0.09 0.13 -0.55 8.40 8.20 2ba9A1 ALA 337 HA 0.06 0.06 0.63 -0.75 4.34 4.34 2ba9A1 ALA 337 HB3 0.05 0.00 0.11 -0.04 1.41 1.53 2ba9A1 ASP 338 H 0.05 0.04 0.17 -0.55 8.40 8.10 2ba9A1 ASP 338 HA 0.05 0.15 0.50 -0.75 4.63 4.58 2ba9A1 ASP 338 HB2 0.03 -0.09 0.07 -0.04 2.71 2.67 2ba9A1 ASP 338 HB3 0.03 0.12 0.03 -0.04 2.70 2.83 2ba9A1 LYS 339 H 0.03 0.66 0.37 -0.55 8.42 8.92 2ba9A1 LYS 339 HA 0.00 0.06 0.72 -0.75 4.32 4.35 2ba9A1 LYS 339 HB2 -0.00 -0.05 0.15 -0.04 1.87 1.93 2ba9A1 LYS 339 HB3 -0.03 -0.05 0.07 -0.04 1.79 1.74 2ba9A1 LYS 339 HG2 -0.01 0.04 -0.05 -0.04 1.46 1.39 2ba9A1 LYS 339 HG3 -0.04 0.08 -0.19 -0.04 1.46 1.27 2ba9A1 LYS 339 HD2 -0.03 -0.09 0.00 -0.04 1.69 1.53 2ba9A1 LYS 339 HD3 0.00 0.07 -0.16 -0.04 1.68 1.56 2ba9A1 LYS 339 HE2 -0.12 -0.05 -0.11 -0.04 2.99 2.67 2ba9A1 LYS 339 HE3 -0.08 0.22 -0.04 -0.04 2.99 3.04 2ba9A1 THR 340 H -0.01 0.09 0.15 -0.55 8.28 7.96 2ba9A1 THR 340 HA 0.00 0.17 0.46 -0.75 4.39 4.28 2ba9A1 THR 340 HB -0.01 -0.06 0.16 -0.04 4.32 4.38 2ba9A1 THR 340 HG23 0.00 0.06 0.06 -0.04 1.22 1.29 2ba9A1 GLN 341 H -0.01 0.20 0.16 -0.55 8.47 8.27 2ba9A1 GLN 341 HA -0.03 0.15 0.50 -0.75 4.36 4.23 2ba9A1 GLN 341 HB2 -0.04 0.05 0.06 -0.04 2.15 2.18 2ba9A1 GLN 341 HB3 -0.02 0.05 0.12 -0.04 2.02 2.13 2ba9A1 GLN 341 HG2 -0.02 -0.01 0.07 -0.04 2.40 2.40 2ba9A1 GLN 341 HG3 -0.03 0.01 -0.16 -0.04 2.39 2.17 2ba9A1 GLN 341 HE21 -0.03 0.04 -0.01 -0.04 6.97 6.93 2ba9A1 GLN 341 HE22 -0.02 -0.01 0.00 -0.04 7.69 7.62 2ba9A1 GLU 342 H -0.02 0.07 -0.10 -0.55 8.60 8.00 2ba9A1 GLU 342 HA -0.03 0.11 0.33 -0.75 4.29 3.95 2ba9A1 GLU 342 HB2 -0.02 0.01 0.11 -0.04 2.09 2.15 2ba9A1 GLU 342 HB3 -0.02 -0.05 0.07 -0.04 1.99 1.95 2ba9A1 GLU 342 HG2 -0.02 0.02 -0.13 -0.04 2.34 2.17 2ba9A1 GLU 342 HG3 -0.02 0.03 0.02 -0.04 2.34 2.33 2ba9A1 GLU 343 H -0.03 0.06 -0.23 -0.55 8.60 7.86 2ba9A1 GLU 343 HA -0.04 0.10 0.31 -0.75 4.29 3.90 2ba9A1 GLU 343 HB2 -0.04 0.07 0.06 -0.04 2.09 2.14 2ba9A1 GLU 343 HB3 -0.02 -0.04 0.08 -0.04 1.99 1.96 2ba9A1 GLU 343 HG2 -0.03 -0.03 0.10 -0.04 2.34 2.34 2ba9A1 GLU 343 HG3 -0.06 0.14 -0.23 -0.04 2.34 2.16 2ba9A1 CYS 344 H -0.04 0.33 -0.27 -0.55 8.50 7.96 2ba9A1 CYS 344 HA -0.09 0.17 0.59 -0.75 4.58 4.50 2ba9A1 CYS 344 HB2 -0.04 0.02 0.09 -0.04 2.97 3.00 2ba9A1 CYS 344 HB3 -0.04 0.01 -0.04 -0.04 2.97 2.85 2ba9A1 ARG 345 H -0.05 0.62 -0.09 -0.55 8.46 8.39 2ba9A1 ARG 345 HA -0.05 0.04 0.47 -0.75 4.34 4.04 2ba9A1 ARG 345 HB2 -0.05 0.02 0.08 -0.04 1.90 1.91 2ba9A1 ARG 345 HB3 -0.04 0.08 0.10 -0.04 1.80 1.89 2ba9A1 ARG 345 HG2 -0.05 -0.02 -0.15 -0.04 1.67 1.42 2ba9A1 ARG 345 HG3 -0.06 -0.02 0.02 -0.04 1.67 1.57 2ba9A1 ARG 345 HD2 -0.04 0.00 -0.04 -0.04 3.22 3.10 2ba9A1 ARG 345 HD3 -0.04 0.00 -0.04 -0.04 3.22 3.10 2ba9A1 GLN 346 H -0.05 0.41 -0.20 -0.55 8.47 8.08 2ba9A1 GLN 346 HA -0.04 0.03 0.48 -0.75 4.36 4.07 2ba9A1 GLN 346 HB2 -0.03 0.03 0.11 -0.04 2.15 2.22 2ba9A1 GLN 346 HB3 -0.04 0.11 0.10 -0.04 2.02 2.15 2ba9A1 GLN 346 HG2 -0.03 -0.01 0.00 -0.04 2.40 2.33 2ba9A1 GLN 346 HG3 -0.03 -0.02 -0.07 -0.04 2.39 2.23 2ba9A1 GLN 346 HE21 -0.03 0.03 0.02 -0.04 6.97 6.95 2ba9A1 GLN 346 HE22 -0.03 -0.01 0.02 -0.04 7.69 7.63 2ba9A1 MET 347 H -0.08 0.43 -0.26 -0.55 8.47 8.02 2ba9A1 MET 347 HA -0.06 -0.03 0.53 -0.75 4.52 4.20 2ba9A1 MET 347 HB2 -0.15 0.20 0.21 -0.04 2.15 2.38 2ba9A1 MET 347 HB3 -0.17 -0.09 0.05 -0.04 2.03 1.77 2ba9A1 MET 347 HG2 -0.21 -0.08 0.02 -0.04 2.63 2.32 2ba9A1 MET 347 HG3 -0.17 0.10 0.06 -0.04 2.56 2.51 2ba9A1 MET 347 HE3 -0.16 0.04 -0.14 -0.04 2.10 1.79 2ba9A1 VAL 348 H -0.06 0.47 -0.22 -0.55 8.24 7.88 2ba9A1 VAL 348 HA -0.03 -0.01 0.50 -0.75 4.13 3.83 2ba9A1 VAL 348 HB -0.05 0.22 0.18 -0.04 2.12 2.43 2ba9A1 VAL 348 HG13 -0.05 -0.02 -0.10 -0.04 0.97 0.75 2ba9A1 VAL 348 HG23 -0.05 0.06 -0.00 -0.04 0.95 0.91 2ba9A1 LEU 349 H -0.05 0.42 -0.13 -0.55 8.37 8.05 2ba9A1 LEU 349 HA -0.05 0.00 0.43 -0.75 4.35 3.97 2ba9A1 LEU 349 HB2 -0.04 0.11 0.19 -0.04 1.64 1.86 2ba9A1 LEU 349 HB3 -0.04 -0.03 0.06 -0.04 1.64 1.60 2ba9A1 LEU 349 HG -0.04 0.18 0.09 -0.04 1.64 1.82 2ba9A1 LEU 349 HD13 -0.03 -0.01 -0.01 -0.04 0.93 0.83 2ba9A1 LEU 349 HD23 -0.04 -0.02 -0.07 -0.04 0.89 0.71 2ba9A1 ASP 350 H -0.06 0.63 -0.02 -0.55 8.40 8.40 2ba9A1 ASP 350 HA -0.06 0.01 0.25 -0.75 4.63 4.07 2ba9A1 ASP 350 HB2 -0.03 0.01 0.13 -0.04 2.71 2.78 2ba9A1 ASP 350 HB3 -0.03 -0.03 0.02 -0.04 2.70 2.62 2ba9A1 ASP 351 H -0.10 0.81 -0.02 -0.55 8.40 8.55 2ba9A1 ASP 351 HA -0.38 0.03 0.52 -0.75 4.63 4.04 2ba9A1 ASP 351 HB2 -0.12 0.14 0.23 -0.04 2.71 2.92 2ba9A1 ASP 351 HB3 -0.55 -0.02 0.02 -0.04 2.70 2.11 2ba9A1 MET 352 H -0.20 0.56 -0.09 -0.55 8.47 8.20 2ba9A1 MET 352 HA -0.14 0.00 0.37 -0.75 4.52 4.00 2ba9A1 MET 352 HB2 -0.07 0.05 0.14 -0.04 2.15 2.22 2ba9A1 MET 352 HB3 -0.04 0.34 0.00 -0.04 2.03 2.29 2ba9A1 MET 352 HG2 -0.04 0.02 0.10 -0.04 2.63 2.68 2ba9A1 MET 352 HG3 -0.05 -0.04 0.00 -0.04 2.56 2.43 2ba9A1 MET 352 HE3 -0.38 0.05 -0.04 -0.04 2.10 1.69 2ba9A1 GLU 353 H -0.13 0.48 -0.24 -0.55 8.60 8.17 2ba9A1 GLU 353 HA -0.05 0.02 0.44 -0.75 4.29 3.94 2ba9A1 GLU 353 HB2 -0.06 0.05 0.12 -0.04 2.09 2.17 2ba9A1 GLU 353 HB3 -0.07 0.07 0.09 -0.04 1.99 2.04 2ba9A1 GLU 353 HG2 -0.03 0.01 -0.10 -0.04 2.34 2.18 2ba9A1 GLU 353 HG3 -0.03 -0.03 0.04 -0.04 2.34 2.28 2ba9A1 THR 354 H -0.16 0.49 -0.12 -0.55 8.28 7.93 2ba9A1 THR 354 HA -0.03 -0.01 0.47 -0.75 4.39 4.06 2ba9A1 THR 354 HB -0.30 0.15 0.21 -0.04 4.32 4.34 2ba9A1 THR 354 HG23 0.07 -0.00 -0.19 -0.04 1.22 1.05 2ba9A1 PHE 355 H -0.23 0.49 -0.25 -0.55 8.34 7.80 2ba9A1 PHE 355 HA 0.03 -0.02 0.38 -0.75 4.62 4.26 2ba9A1 PHE 355 HB2 0.05 0.05 0.01 -0.04 3.15 3.22 2ba9A1 PHE 355 HB3 0.20 -0.06 0.03 -0.04 3.06 3.19 2ba9A1 PHE 355 HD2 0.11 -0.04 -0.21 -0.04 7.28 7.11 2ba9A1 PHE 355 HE2 0.15 -0.04 -0.15 -0.04 7.38 7.30 2ba9A1 PHE 355 HZ 0.13 0.03 -0.06 -0.04 7.32 7.38 2ba9A1 GLY 356 H -0.04 0.31 -0.63 -0.55 8.43 7.53 2ba9A1 GLY 356 HA2 -0.10 0.01 0.28 -0.51 4.01 3.69 2ba9A1 GLY 356 HA3 -0.23 0.03 0.61 -0.51 4.01 3.92 2ba9A1 HIS 357 H -0.06 0.55 -0.06 -0.55 8.41 8.30 2ba9A1 HIS 357 HA -0.01 0.42 0.93 -0.75 4.63 5.22 2ba9A1 HIS 357 HB2 -0.16 -0.14 0.09 -0.04 3.26 3.01 2ba9A1 HIS 357 HB3 -0.12 0.00 0.10 -0.04 3.20 3.13 2ba9A1 HIS 357 HD2 -0.08 -0.10 -0.16 -0.04 6.97 6.59 2ba9A1 HIS 357 HE1 -0.00 -0.11 -0.12 -0.04 7.75 7.47 2ba9A1 PRO 358 HA -0.02 -0.04 0.19 -0.51 4.44 4.07 2ba9A1 PRO 358 HB2 -0.00 0.01 -0.09 -0.04 2.28 2.15 2ba9A1 PRO 358 HB3 -0.02 -0.03 0.05 -0.04 2.02 1.98 2ba9A1 PRO 358 HG2 0.01 -0.06 -0.04 -0.04 2.03 1.90 2ba9A1 PRO 358 HG3 -0.01 -0.00 -0.02 -0.04 2.03 1.96 2ba9A1 PRO 358 HD2 0.02 0.33 -0.06 -0.04 3.68 3.93 2ba9A1 PRO 358 HD3 -0.03 0.02 -0.33 -0.04 3.65 3.26 2ba9A1 VAL 359 H -0.03 0.09 0.15 -0.55 8.24 7.91 2ba9A1 VAL 359 HA -0.01 0.18 0.57 -0.75 4.13 4.12 2ba9A1 VAL 359 HB -0.04 -0.06 0.08 -0.04 2.12 2.06 2ba9A1 VAL 359 HG13 -0.04 0.00 -0.24 -0.04 0.97 0.65 2ba9A1 VAL 359 HG23 -0.05 0.01 -0.04 -0.04 0.95 0.83 2ba9A1 GLU 360 H -0.00 0.49 0.30 -0.55 8.60 8.85 2ba9A1 GLU 360 HA -0.01 0.15 0.87 -0.75 4.29 4.55 2ba9A1 GLU 360 HB2 0.01 0.01 -0.09 -0.04 2.09 1.98 2ba9A1 GLU 360 HB3 0.00 -0.05 -0.03 -0.04 1.99 1.88 2ba9A1 GLU 360 HG2 0.02 -0.01 -0.08 -0.04 2.34 2.23 2ba9A1 GLU 360 HG3 0.03 -0.01 -0.20 -0.04 2.34 2.12 2ba9A1 LYS 361 H -0.03 0.44 0.23 -0.55 8.42 8.50 2ba9A1 LYS 361 HA -0.04 0.11 0.59 -0.75 4.32 4.23 2ba9A1 LYS 361 HB2 -0.03 0.06 -0.34 -0.04 1.87 1.51 2ba9A1 LYS 361 HB3 -0.06 -0.09 -0.04 -0.04 1.79 1.56 2ba9A1 LYS 361 HG2 -0.04 -0.03 -0.12 -0.04 1.46 1.23 2ba9A1 LYS 361 HG3 -0.05 0.03 -0.20 -0.04 1.46 1.20 2ba9A1 LYS 361 HD2 -0.02 -0.01 0.01 -0.04 1.69 1.62 2ba9A1 LYS 361 HD3 -0.03 0.09 0.14 -0.04 1.68 1.85 2ba9A1 LYS 361 HE2 -0.01 -0.03 -0.00 -0.04 2.99 2.91 2ba9A1 LYS 361 HE3 -0.01 0.09 -0.03 -0.04 2.99 2.99 2ba9A1 ILE 362 H -0.06 0.22 0.09 -0.55 8.25 7.95 2ba9A1 ILE 362 HA -0.10 0.29 0.95 -0.75 4.18 4.57 2ba9A1 ILE 362 HB -0.06 -0.03 0.13 -0.04 1.89 1.89 2ba9A1 ILE 362 HG12 -0.08 0.05 -0.09 -0.04 1.49 1.33 2ba9A1 ILE 362 HG13 -0.06 -0.06 -0.21 -0.04 1.21 0.84 2ba9A1 ILE 362 HG23 -0.08 -0.02 -0.16 -0.04 0.93 0.62 2ba9A1 ILE 362 HD13 -0.06 -0.00 -0.05 -0.04 0.88 0.73 2ba9A1 ILE 363 H -0.16 0.47 0.18 -0.55 8.25 8.20 2ba9A1 ILE 363 HA -0.07 0.14 0.62 -0.75 4.18 4.12 2ba9A1 ILE 363 HB -0.11 -0.01 0.07 -0.04 1.89 1.80 2ba9A1 ILE 363 HG12 -0.38 0.04 -0.10 -0.04 1.49 1.01 2ba9A1 ILE 363 HG13 -0.20 0.01 -0.20 -0.04 1.21 0.78 2ba9A1 ILE 363 HG23 -0.21 0.00 -0.11 -0.04 0.93 0.58 2ba9A1 ILE 363 HD13 -0.60 -0.00 -0.10 -0.04 0.88 0.14 2ba9A1 GLU 364 H -0.09 0.26 0.12 -0.55 8.60 8.34 2ba9A1 GLU 364 HA -0.03 0.13 0.58 -0.75 4.29 4.21 2ba9A1 GLU 364 HB2 0.07 0.06 -0.20 -0.04 2.09 1.98 2ba9A1 GLU 364 HB3 0.08 -0.07 -0.01 -0.04 1.99 1.95 2ba9A1 GLU 364 HG2 -0.01 0.03 -0.16 -0.04 2.34 2.16 2ba9A1 GLU 364 HG3 0.02 0.04 0.08 -0.04 2.34 2.44 2ba9A1 GLU 365 H -0.07 0.27 0.17 -0.55 8.60 8.42 2ba9A1 GLU 365 HA -0.11 0.35 1.07 -0.75 4.29 4.84 2ba9A1 GLU 365 HB2 -0.08 -0.01 -0.08 -0.04 2.09 1.87 2ba9A1 GLU 365 HB3 -0.09 -0.04 0.04 -0.04 1.99 1.86 2ba9A1 GLU 365 HG2 -0.13 -0.05 -0.19 -0.04 2.34 1.93 2ba9A1 GLU 365 HG3 -0.11 0.12 0.02 -0.04 2.34 2.33 2ba9A1 GLN 366 H -0.21 0.71 0.34 -0.55 8.47 8.76 2ba9A1 GLN 366 HA -0.37 0.10 0.80 -0.75 4.36 4.14 2ba9A1 GLN 366 HB2 -0.52 0.01 -0.12 -0.04 2.15 1.48 2ba9A1 GLN 366 HB3 -0.67 0.04 0.13 -0.04 2.02 1.48 2ba9A1 GLN 366 HG2 -3.27 -0.02 -0.11 -0.04 2.40 -1.04 2ba9A1 GLN 366 HG3 -1.59 -0.00 -0.48 -0.04 2.39 0.28 2ba9A1 GLN 366 HE21 -0.35 -0.05 0.03 -0.04 6.97 6.56 2ba9A1 GLN 366 HE22 -0.53 0.30 -0.07 -0.04 7.69 7.35 2ba9A1 THR 367 H -0.25 0.16 0.11 -0.55 8.28 7.75 2ba9A1 THR 367 HA -0.12 0.27 0.83 -0.75 4.39 4.62 2ba9A1 THR 367 HB -0.05 -0.03 0.09 -0.04 4.32 4.30 2ba9A1 THR 367 HG23 0.08 0.01 -0.26 -0.04 1.22 1.00 2ba9A1 TRP 368 H 0.21 0.72 0.23 -0.55 7.97 8.58 2ba9A1 TRP 368 HA 0.09 0.07 0.62 -0.75 4.62 4.64 2ba9A1 TRP 368 HB2 0.11 0.03 0.10 -0.04 3.23 3.42 2ba9A1 TRP 368 HB3 0.21 0.01 -0.08 -0.04 3.23 3.33 2ba9A1 TRP 368 HD1 -0.19 0.13 0.05 -0.04 7.22 7.16 2ba9A1 TRP 368 HE1 -0.07 0.34 0.14 -0.04 10.20 10.56 2ba9A1 TRP 368 HE3 0.07 -0.04 0.00 -0.04 7.59 7.58 2ba9A1 TRP 368 HZ2 0.02 0.01 -0.23 -0.04 7.44 7.20 2ba9A1 TRP 368 HZ3 -0.06 -0.05 -0.13 -0.04 7.13 6.85 2ba9A1 TRP 368 HH2 -0.33 -0.01 -0.11 -0.04 7.19 6.70 2ba9A1 TYR 369 H 0.47 0.11 0.17 -0.55 8.29 8.49 2ba9A1 TYR 369 HA 0.22 0.15 0.73 -0.75 4.56 4.90 2ba9A1 TYR 369 HB2 0.01 0.04 0.14 -0.04 3.06 3.21 2ba9A1 TYR 369 HB3 0.11 -0.07 0.22 -0.04 2.98 3.20 2ba9A1 TYR 369 HD2 -0.31 -0.00 -0.07 -0.04 7.15 6.73 2ba9A1 TYR 369 HE2 -0.23 -0.02 -0.08 -0.04 6.85 6.48 2ba9A1 TYR 370 H 0.08 0.45 0.28 -0.55 8.29 8.55 2ba9A1 TYR 370 HA 0.04 0.07 0.83 -0.75 4.56 4.74 2ba9A1 TYR 370 HB2 0.24 0.03 -0.19 -0.04 3.06 3.10 2ba9A1 TYR 370 HB3 0.09 0.02 0.01 -0.04 2.98 3.06 2ba9A1 TYR 370 HD2 -0.10 0.07 -0.08 -0.04 7.15 7.00 2ba9A1 TYR 370 HE2 -0.68 -0.05 -0.11 -0.04 6.85 5.97 2ba9A1 PHE 371 H -0.56 0.10 0.17 -0.55 8.34 7.50 2ba9A1 PHE 371 HA -0.42 -0.03 0.39 -0.75 4.62 3.80 2ba9A1 PHE 371 HB2 -0.45 0.03 0.03 -0.04 3.15 2.72 2ba9A1 PHE 371 HB3 -0.12 0.05 -0.08 -0.04 3.06 2.86 2ba9A1 PHE 371 HD2 -0.40 -0.03 -0.00 -0.04 7.28 6.81 2ba9A1 PHE 371 HE2 -0.46 -0.00 0.00 -0.04 7.38 6.88 2ba9A1 PHE 371 HZ -0.47 -0.04 -0.03 -0.04 7.32 6.74 2ba9A1 PRO 372 HA -0.29 0.35 0.75 -0.51 4.44 4.73 2ba9A1 PRO 372 HB2 -0.11 0.02 -0.08 -0.04 2.28 2.07 2ba9A1 PRO 372 HB3 -0.03 -0.02 0.00 -0.04 2.02 1.94 2ba9A1 PRO 372 HG2 -0.06 -0.03 -0.15 -0.04 2.03 1.75 2ba9A1 PRO 372 HG3 0.09 -0.06 -0.03 -0.04 2.03 1.99 2ba9A1 PRO 372 HD2 -0.11 -0.04 0.09 -0.04 3.68 3.58 2ba9A1 PRO 372 HD3 -0.17 0.11 -0.20 -0.04 3.65 3.34 2ba9A1 HIS 373 H -0.57 0.73 0.47 -0.55 8.41 8.49 2ba9A1 HIS 373 HA -0.48 0.10 0.48 -0.75 4.63 3.98 2ba9A1 HIS 373 HB2 -1.18 -0.05 0.17 -0.04 3.26 2.16 2ba9A1 HIS 373 HB3 -1.78 0.08 -0.20 -0.04 3.20 1.26 2ba9A1 HIS 373 HD2 -0.17 0.15 -0.12 -0.04 6.97 6.79 2ba9A1 HIS 373 HE1 -0.17 -0.05 -0.19 -0.04 7.75 7.28 2ba9A1 VAL 374 H 0.04 0.20 0.18 -0.55 8.24 8.11 2ba9A1 VAL 374 HA -0.35 0.26 0.95 -0.75 4.13 4.23 2ba9A1 VAL 374 HB -0.33 -0.09 0.11 -0.04 2.12 1.77 2ba9A1 VAL 374 HG13 -1.53 0.03 -0.25 -0.04 0.97 -0.82 2ba9A1 VAL 374 HG23 -0.16 0.01 -0.10 -0.04 0.95 0.67 2ba9A1 SER 375 H -0.06 0.16 0.19 -0.55 8.46 8.21 2ba9A1 SER 375 HA 0.11 0.18 0.51 -0.75 4.49 4.53 2ba9A1 SER 375 HB2 0.05 -0.02 0.20 -0.04 3.95 4.14 2ba9A1 SER 375 HB3 -0.00 0.15 0.17 -0.04 3.93 4.20 2ba9A1 SER 376 H 0.12 0.24 0.25 -0.55 8.46 8.53 2ba9A1 SER 376 HA 0.14 0.19 0.56 -0.75 4.49 4.63 2ba9A1 SER 376 HB2 0.09 0.06 0.19 -0.04 3.95 4.25 2ba9A1 SER 376 HB3 0.08 -0.10 0.22 -0.04 3.93 4.10 2ba9A1 GLU 377 H 0.09 0.08 -0.06 -0.55 8.60 8.16 2ba9A1 GLU 377 HA 0.09 0.12 0.41 -0.75 4.29 4.16 2ba9A1 GLU 377 HB2 0.06 0.04 0.11 -0.04 2.09 2.25 2ba9A1 GLU 377 HB3 0.06 -0.07 0.09 -0.04 1.99 2.03 2ba9A1 GLU 377 HG2 0.06 0.02 -0.33 -0.04 2.34 2.06 2ba9A1 GLU 377 HG3 0.06 0.03 0.00 -0.04 2.34 2.39 2ba9A1 ASP 378 H 0.10 0.02 -0.19 -0.55 8.40 7.78 2ba9A1 ASP 378 HA 0.14 0.11 0.48 -0.75 4.63 4.60 2ba9A1 ASP 378 HB2 0.03 -0.09 0.16 -0.04 2.71 2.78 2ba9A1 ASP 378 HB3 0.13 0.04 0.05 -0.04 2.70 2.88 2ba9A1 TYR 379 H 0.26 0.79 -0.14 -0.55 8.29 8.65 2ba9A1 TYR 379 HA 0.26 -0.10 0.43 -0.75 4.56 4.40 2ba9A1 TYR 379 HB2 0.15 0.09 0.04 -0.04 3.06 3.29 2ba9A1 TYR 379 HB3 0.11 0.18 0.19 -0.04 2.98 3.43 2ba9A1 TYR 379 HD2 0.11 0.03 -0.14 -0.04 7.15 7.10 2ba9A1 TYR 379 HE2 -0.32 0.03 -0.07 -0.04 6.85 6.45 2ba9A1 LYS 380 H 0.25 0.62 -0.10 -0.55 8.42 8.64 2ba9A1 LYS 380 HA 0.23 0.01 0.34 -0.75 4.32 4.14 2ba9A1 LYS 380 HB2 0.13 0.06 0.20 -0.04 1.87 2.22 2ba9A1 LYS 380 HB3 0.11 -0.04 -0.01 -0.04 1.79 1.80 2ba9A1 LYS 380 HG2 0.11 -0.05 0.01 -0.04 1.46 1.50 2ba9A1 LYS 380 HG3 0.13 0.19 0.03 -0.04 1.46 1.76 2ba9A1 LYS 380 HD2 0.08 -0.05 -0.07 -0.04 1.69 1.62 2ba9A1 LYS 380 HD3 0.07 -0.02 -0.04 -0.04 1.68 1.65 2ba9A1 LYS 380 HE2 0.06 0.00 -0.16 -0.04 2.99 2.85 2ba9A1 LYS 380 HE3 0.07 0.03 -0.18 -0.04 2.99 2.87 2ba9A1 ALA 381 H 0.16 0.42 -0.25 -0.55 8.40 8.19 2ba9A1 ALA 381 HA 0.10 0.04 0.43 -0.75 4.34 4.16 2ba9A1 ALA 381 HB3 0.11 -0.01 0.12 -0.04 1.41 1.59 2ba9A1 GLY 382 H 0.18 0.34 -0.55 -0.55 8.43 7.85 2ba9A1 GLY 382 HA2 0.12 0.06 0.22 -0.51 4.01 3.89 2ba9A1 GLY 382 HA3 0.09 0.15 0.59 -0.51 4.01 4.34 2ba9A1 TRP 383 H 0.29 0.47 0.10 -0.55 7.97 8.27 2ba9A1 TRP 383 HA 0.14 0.04 0.21 -0.75 4.62 4.25 2ba9A1 TRP 383 HB2 -0.03 0.16 -0.09 -0.04 3.23 3.22 2ba9A1 TRP 383 HB3 -0.31 -0.04 0.00 -0.04 3.23 2.84 2ba9A1 TRP 383 HD1 0.01 0.01 -0.01 -0.04 7.22 7.18 2ba9A1 TRP 383 HE1 0.04 0.39 0.06 -0.04 10.20 10.64 2ba9A1 TRP 383 HE3 -1.53 0.01 -0.37 -0.04 7.59 5.66 2ba9A1 TRP 383 HZ2 0.15 0.03 -0.24 -0.04 7.44 7.33 2ba9A1 TRP 383 HZ3 -0.51 0.04 -0.20 -0.04 7.13 6.41 2ba9A1 TRP 383 HH2 -0.13 -0.05 -0.18 -0.04 7.19 6.79 2ba9A1 TYR 384 H 0.25 0.16 -0.20 -0.55 8.29 7.95 2ba9A1 TYR 384 HA 0.14 -0.00 0.35 -0.75 4.56 4.28 2ba9A1 TYR 384 HB2 -0.04 0.09 -0.03 -0.04 3.06 3.03 2ba9A1 TYR 384 HB3 0.15 0.02 -0.12 -0.04 2.98 2.99 2ba9A1 TYR 384 HD2 -0.20 -0.02 -0.03 -0.04 7.15 6.86 2ba9A1 TYR 384 HE2 -0.09 0.02 -0.02 -0.04 6.85 6.72 2ba9A1 GLU 385 H 0.10 0.27 -0.12 -0.55 8.60 8.31 2ba9A1 GLU 385 HA 0.08 0.10 0.59 -0.75 4.29 4.30 2ba9A1 GLU 385 HB2 0.02 0.14 0.18 -0.04 2.09 2.39 2ba9A1 GLU 385 HB3 0.02 -0.01 0.03 -0.04 1.99 1.99 2ba9A1 GLU 385 HG2 0.08 0.04 0.04 -0.04 2.34 2.47 2ba9A1 GLU 385 HG3 0.09 -0.06 0.04 -0.04 2.34 2.38 2ba9A1 LYS 386 H -0.16 0.46 -0.17 -0.55 8.42 8.00 2ba9A1 LYS 386 HA -0.26 0.06 0.42 -0.75 4.32 3.79 2ba9A1 LYS 386 HB2 -0.47 0.01 0.02 -0.04 1.87 1.38 2ba9A1 LYS 386 HB3 -0.81 0.17 0.12 -0.04 1.79 1.24 2ba9A1 LYS 386 HG2 -2.14 -0.03 -0.06 -0.04 1.46 -0.81 2ba9A1 LYS 386 HG3 -0.87 -0.03 -0.29 -0.04 1.46 0.24 2ba9A1 LYS 386 HD2 -0.37 0.01 -0.02 -0.04 1.69 1.27 2ba9A1 LYS 386 HD3 -0.38 0.03 -0.02 -0.04 1.68 1.26 2ba9A1 LYS 386 HE2 -0.58 0.00 -0.05 -0.04 2.99 2.32 2ba9A1 LYS 386 HE3 -0.40 -0.07 -0.06 -0.04 2.99 2.42 2ba9A1 VAL 387 H -0.51 0.53 0.07 -0.55 8.24 7.79 2ba9A1 VAL 387 HA -0.47 0.02 0.16 -0.75 4.13 3.09 2ba9A1 VAL 387 HB -0.52 0.01 0.03 -0.04 2.12 1.59 2ba9A1 VAL 387 HG13 -0.21 -0.01 -0.15 -0.04 0.97 0.56 2ba9A1 VAL 387 HG23 -1.60 0.03 -0.06 -0.04 0.95 -0.72 2ba9A1 GLU 388 H 0.03 0.50 -0.18 -0.55 8.60 8.40 2ba9A1 GLU 388 HA 0.20 0.02 0.54 -0.75 4.29 4.29 2ba9A1 GLU 388 HB2 0.20 0.22 0.14 -0.04 2.09 2.61 2ba9A1 GLU 388 HB3 0.26 -0.02 0.05 -0.04 1.99 2.24 2ba9A1 GLU 388 HG2 0.38 -0.08 0.03 -0.04 2.34 2.64 2ba9A1 GLU 388 HG3 0.44 -0.08 -0.02 -0.04 2.34 2.64 2ba9A1 GLY 389 H -0.02 0.39 -0.30 -0.55 8.43 7.95 2ba9A1 GLY 389 HA2 0.02 0.03 0.59 -0.51 4.01 4.13 2ba9A1 GLY 389 HA3 -0.05 0.06 0.35 -0.51 4.01 3.86 2ba9A1 MET 390 H -0.10 0.33 -0.34 -0.55 8.47 7.80 2ba9A1 MET 390 HA -0.08 0.04 0.54 -0.75 4.52 4.27 2ba9A1 MET 390 HB2 -0.14 0.20 0.07 -0.04 2.15 2.24 2ba9A1 MET 390 HB3 0.01 -0.12 0.07 -0.04 2.03 1.94 2ba9A1 MET 390 HG2 -0.19 -0.08 -0.03 -0.04 2.63 2.28 2ba9A1 MET 390 HG3 -0.28 0.27 -0.06 -0.04 2.56 2.45 2ba9A1 MET 390 HE3 -0.65 -0.03 -0.19 -0.04 2.10 1.20 2ba9A1 GLN 391 H -0.00 0.35 -0.57 -0.55 8.47 7.69 2ba9A1 GLN 391 HA -0.13 -0.08 0.40 -0.75 4.36 3.80 2ba9A1 GLN 391 HB2 -0.22 0.14 0.14 -0.04 2.15 2.17 2ba9A1 GLN 391 HB3 -0.70 -0.05 0.08 -0.04 2.02 1.30 2ba9A1 GLN 391 HG2 0.17 0.04 0.23 -0.04 2.40 2.81 2ba9A1 GLN 391 HG3 0.26 -0.01 0.14 -0.04 2.39 2.74 2ba9A1 GLN 391 HE21 0.48 0.42 0.20 -0.04 6.97 8.03 2ba9A1 GLN 391 HE22 0.49 -0.03 0.08 -0.04 7.69 8.18 2ba9A1 GLY 392 H -1.14 0.25 0.28 -0.55 8.43 7.27 2ba9A1 GLY 392 HA2 -1.91 -0.06 0.18 -0.51 4.01 1.72 2ba9A1 GLY 392 HA3 -0.68 0.11 0.33 -0.51 4.01 3.27 2ba9A1 ARG 393 H -0.30 0.55 -0.43 -0.55 8.46 7.73 2ba9A1 ARG 393 HA -0.15 -0.02 0.46 -0.75 4.34 3.88 2ba9A1 ARG 393 HB2 -0.09 0.13 0.11 -0.04 1.90 2.00 2ba9A1 ARG 393 HB3 -0.05 0.00 0.15 -0.04 1.80 1.86 2ba9A1 ARG 393 HG2 -0.05 -0.01 -0.26 -0.04 1.67 1.30 2ba9A1 ARG 393 HG3 -0.07 -0.02 0.03 -0.04 1.67 1.58 2ba9A1 ARG 393 HD2 -0.03 -0.06 -0.02 -0.04 3.22 3.07 2ba9A1 ARG 393 HD3 -0.05 -0.08 -0.01 -0.04 3.22 3.04 2ba9A1 ARG 394 H -0.10 0.13 0.24 -0.55 8.46 8.17 2ba9A1 ARG 394 HA -0.06 0.01 0.34 -0.75 4.34 3.88 2ba9A1 ARG 394 HB2 -0.03 0.07 -0.02 -0.04 1.90 1.88 2ba9A1 ARG 394 HB3 -0.01 0.05 0.21 -0.04 1.80 2.01 2ba9A1 ARG 394 HG2 -0.01 0.01 0.10 -0.04 1.67 1.72 2ba9A1 ARG 394 HG3 -0.04 -0.05 0.07 -0.04 1.67 1.61 2ba9A1 ARG 394 HD2 -0.01 -0.06 0.03 -0.04 3.22 3.14 2ba9A1 ARG 394 HD3 -0.01 -0.03 -0.03 -0.04 3.22 3.11 2ba9A1 ASN 395 H -0.18 0.40 -0.13 -0.55 8.53 8.07 2ba9A1 ASN 395 HA -0.20 0.07 0.23 -0.75 4.76 4.10 2ba9A1 ASN 395 HB2 -0.01 0.08 -0.17 -0.04 2.88 2.74 2ba9A1 ASN 395 HB3 0.02 -0.02 0.32 -0.04 2.79 3.08 2ba9A1 ASN 395 HD21 -0.00 -0.03 0.01 -0.04 7.03 6.96 2ba9A1 ASN 395 HD22 0.01 -0.01 -0.38 -0.04 7.74 7.32 2ba9A1 THR 396 H -0.37 0.33 -0.77 -0.55 8.28 6.91 2ba9A1 THR 396 HA -0.17 0.18 0.97 -0.75 4.39 4.62 2ba9A1 THR 396 HB -0.28 0.10 0.01 -0.04 4.32 4.12 2ba9A1 THR 396 HG23 -0.37 -0.05 -0.18 -0.04 1.22 0.58 2ba9A1 PHE 397 H -0.08 0.71 0.38 -0.55 8.34 8.80 2ba9A1 PHE 397 HA -0.45 0.06 0.93 -0.75 4.62 4.40 2ba9A1 PHE 397 HB2 -0.01 -0.00 0.08 -0.04 3.15 3.17 2ba9A1 PHE 397 HB3 -0.02 0.01 0.03 -0.04 3.06 3.04 2ba9A1 PHE 397 HD2 -0.29 0.06 -0.10 -0.04 7.28 6.90 2ba9A1 PHE 397 HE2 -0.58 0.06 -0.14 -0.04 7.38 6.68 2ba9A1 PHE 397 HZ -0.41 0.11 -0.09 -0.04 7.32 6.89 2ba9A1 TYR 398 H 0.13 0.25 0.16 -0.55 8.29 8.27 2ba9A1 TYR 398 HA 0.01 0.09 0.86 -0.75 4.56 4.77 2ba9A1 TYR 398 HB2 0.12 0.04 0.04 -0.04 3.06 3.22 2ba9A1 TYR 398 HB3 0.02 -0.03 -0.04 -0.04 2.98 2.89 2ba9A1 TYR 398 HD2 -0.06 0.02 -0.10 -0.04 7.15 6.96 2ba9A1 TYR 398 HE2 0.01 0.09 -0.21 -0.04 6.85 6.70 2ba9A1 ALA 399 H 0.11 0.43 0.26 -0.55 8.40 8.65 2ba9A1 ALA 399 HA 0.01 0.14 0.60 -0.75 4.34 4.33 2ba9A1 ALA 399 HB3 0.22 -0.00 -0.09 -0.04 1.41 1.49 2ba9A1 GLY 400 H 0.04 0.14 0.10 -0.55 8.43 8.16 2ba9A1 GLY 400 HA2 0.02 -0.05 0.34 -0.51 4.01 3.82 2ba9A1 GLY 400 HA3 0.01 0.14 0.49 -0.51 4.01 4.14 2ba9A1 GLU 401 H 0.01 0.16 0.09 -0.55 8.60 8.32 2ba9A1 GLU 401 HA 0.01 0.10 0.06 -0.75 4.29 3.70 2ba9A1 GLU 401 HB2 0.01 0.00 0.09 -0.04 2.09 2.15 2ba9A1 GLU 401 HB3 -0.05 0.06 -0.10 -0.04 1.99 1.85 2ba9A1 GLU 401 HG2 -0.06 0.04 0.06 -0.04 2.34 2.35 2ba9A1 GLU 401 HG3 -0.01 -0.09 0.08 -0.04 2.34 2.28 2ba9A1 ILE 402 H 0.01 0.05 -0.24 -0.55 8.25 7.52 2ba9A1 ILE 402 HA -0.02 0.23 0.07 -0.75 4.18 3.71 2ba9A1 ILE 402 HB -0.02 -0.11 -0.02 -0.04 1.89 1.69 2ba9A1 ILE 402 HG12 -0.08 -0.04 -0.12 -0.04 1.49 1.20 2ba9A1 ILE 402 HG13 -0.06 0.05 -0.23 -0.04 1.21 0.92 2ba9A1 ILE 402 HG23 0.04 0.03 -0.19 -0.04 0.93 0.76 2ba9A1 ILE 402 HD13 -0.36 0.01 -0.25 -0.04 0.88 0.23 2ba9A1 MET 403 H -0.00 0.25 -0.62 -0.55 8.47 7.55 2ba9A1 MET 403 HA 0.42 0.10 0.31 -0.75 4.52 4.60 2ba9A1 MET 403 HB2 -0.62 -0.01 -0.16 -0.04 2.15 1.32 2ba9A1 MET 403 HB3 -0.22 -0.00 0.01 -0.04 2.03 1.78 2ba9A1 MET 403 HG2 0.05 0.01 -0.32 -0.04 2.63 2.33 2ba9A1 MET 403 HG3 0.15 0.24 -0.46 -0.04 2.56 2.45 2ba9A1 MET 403 HE3 0.43 0.00 -0.11 -0.04 2.10 2.38 2ba9A1 SER 404 H 0.10 0.38 -0.47 -0.55 8.46 7.92 2ba9A1 SER 404 HA 0.24 0.08 0.81 -0.75 4.49 4.86 2ba9A1 SER 404 HB2 0.16 -0.04 0.01 -0.04 3.95 4.04 2ba9A1 SER 404 HB3 0.07 0.03 -0.14 -0.04 3.93 3.86 2ba9A1 PHE 405 H 0.19 0.17 0.17 -0.55 8.34 8.32 2ba9A1 PHE 405 HA 0.27 0.22 0.53 -0.75 4.62 4.89 2ba9A1 PHE 405 HB2 0.16 0.26 -0.15 -0.04 3.15 3.38 2ba9A1 PHE 405 HB3 0.01 -0.16 -0.09 -0.04 3.06 2.79 2ba9A1 PHE 405 HD2 0.05 -0.05 -0.08 -0.04 7.28 7.16 2ba9A1 PHE 405 HE2 -0.92 0.01 -0.14 -0.04 7.38 6.29 2ba9A1 PHE 405 HZ -1.72 0.04 -0.07 -0.04 7.32 5.53 2ba9A1 GLY 406 H -1.21 0.27 0.08 -0.55 8.43 7.03 2ba9A1 GLY 406 HA2 -0.22 0.01 0.51 -0.51 4.01 3.79 2ba9A1 GLY 406 HA3 -0.48 0.03 0.46 -0.51 4.01 3.51 2ba9A1 ASN 407 H -0.00 0.44 -0.29 -0.55 8.53 8.13 2ba9A1 ASN 407 HA 0.02 0.20 0.51 -0.75 4.76 4.72 2ba9A1 ASN 407 HB2 -0.06 0.05 0.22 -0.04 2.88 3.05 2ba9A1 ASN 407 HB3 -0.02 0.14 -0.10 -0.04 2.79 2.77 2ba9A1 ASN 407 HD21 0.01 0.08 0.02 -0.04 7.03 7.10 2ba9A1 ASN 407 HD22 -0.30 0.12 -0.02 -0.04 7.74 7.50 2ba9A1 PHE 408 H -0.19 0.27 0.18 -0.55 8.34 8.04 2ba9A1 PHE 408 HA -0.00 0.08 0.36 -0.75 4.62 4.30 2ba9A1 PHE 408 HB2 0.04 0.02 0.10 -0.04 3.15 3.26 2ba9A1 PHE 408 HB3 -0.02 0.02 0.07 -0.04 3.06 3.09 2ba9A1 PHE 408 HD2 0.22 -0.02 -0.09 -0.04 7.28 7.35 2ba9A1 PHE 408 HE2 0.35 -0.00 -0.07 -0.04 7.38 7.62 2ba9A1 PHE 408 HZ 0.47 0.06 -0.30 -0.04 7.32 7.51 2ba9A1 ASP 409 H -0.55 0.14 -0.03 -0.55 8.40 7.40 2ba9A1 ASP 409 HA -0.02 0.12 0.68 -0.75 4.63 4.65 2ba9A1 ASP 409 HB2 -1.72 0.03 0.13 -0.04 2.71 1.11 2ba9A1 ASP 409 HB3 -1.05 0.09 0.09 -0.04 2.70 1.78 2ba9A1 GLU 410 H -0.10 0.07 -0.26 -0.55 8.60 7.77 2ba9A1 GLU 410 HA 0.08 0.13 0.31 -0.75 4.29 4.05 2ba9A1 GLU 410 HB2 0.12 0.04 0.12 -0.04 2.09 2.33 2ba9A1 GLU 410 HB3 0.14 0.01 0.01 -0.04 1.99 2.11 2ba9A1 GLU 410 HG2 -0.01 -0.13 0.00 -0.04 2.34 2.15 2ba9A1 GLU 410 HG3 0.12 0.05 -0.09 -0.04 2.34 2.38 2ba9A1 VAL 411 H 0.08 0.41 -0.08 -0.55 8.24 8.10 2ba9A1 VAL 411 HA 0.12 0.12 0.41 -0.75 4.13 4.03 2ba9A1 VAL 411 HB 0.06 -0.11 0.00 -0.04 2.12 2.04 2ba9A1 VAL 411 HG13 0.03 0.09 -0.01 -0.04 0.97 1.04 2ba9A1 VAL 411 HG23 0.07 -0.00 -0.08 -0.04 0.95 0.90 2ba9A1 CYS 412 H 0.15 0.32 -0.31 -0.55 8.50 8.11 2ba9A1 CYS 412 HA 0.18 0.06 0.40 -0.75 4.58 4.46 2ba9A1 CYS 412 HB2 0.21 0.01 0.12 -0.04 2.97 3.27 2ba9A1 CYS 412 HB3 0.27 0.03 -0.06 -0.04 2.97 3.17 2ba9A1 HIS 413 H 0.20 0.62 -0.08 -0.55 8.41 8.59 2ba9A1 HIS 413 HA -0.04 0.02 0.46 -0.75 4.63 4.31 2ba9A1 HIS 413 HB2 -0.00 -0.05 0.16 -0.04 3.26 3.32 2ba9A1 HIS 413 HB3 0.04 0.10 0.15 -0.04 3.20 3.44 2ba9A1 HIS 413 HD2 -0.07 -0.03 0.09 -0.04 6.97 6.91 2ba9A1 HIS 413 HE1 -0.03 0.04 0.04 -0.04 7.75 7.76 2ba9A1 TYR 414 H 0.23 0.47 -0.23 -0.55 8.29 8.21 2ba9A1 TYR 414 HA -0.01 0.07 0.45 -0.75 4.56 4.32 2ba9A1 TYR 414 HB2 0.07 0.04 0.08 -0.04 3.06 3.21 2ba9A1 TYR 414 HB3 0.09 -0.00 0.11 -0.04 2.98 3.13 2ba9A1 TYR 414 HD2 0.14 -0.04 -0.21 -0.04 7.15 6.99 2ba9A1 TYR 414 HE2 0.31 0.05 0.06 -0.04 6.85 7.23 2ba9A1 SER 415 H 0.20 0.49 -0.14 -0.55 8.46 8.47 2ba9A1 SER 415 HA 0.12 0.01 0.46 -0.75 4.49 4.32 2ba9A1 SER 415 HB2 0.14 0.04 0.18 -0.04 3.95 4.26 2ba9A1 SER 415 HB3 0.09 -0.00 -0.22 -0.04 3.93 3.76 2ba9A1 LYS 416 H -0.06 0.61 -0.07 -0.55 8.42 8.35 2ba9A1 LYS 416 HA -0.47 0.03 0.41 -0.75 4.32 3.54 2ba9A1 LYS 416 HB2 -0.92 -0.02 0.09 -0.04 1.87 0.98 2ba9A1 LYS 416 HB3 -0.21 0.12 0.16 -0.04 1.79 1.82 2ba9A1 LYS 416 HG2 -0.33 0.02 -0.24 -0.04 1.46 0.86 2ba9A1 LYS 416 HG3 -1.14 0.01 -0.01 -0.04 1.46 0.28 2ba9A1 LYS 416 HD2 -0.36 -0.08 -0.01 -0.04 1.69 1.20 2ba9A1 LYS 416 HD3 -0.12 -0.00 -0.01 -0.04 1.68 1.50 2ba9A1 LYS 416 HE2 -0.13 0.04 -0.04 -0.04 2.99 2.83 2ba9A1 LYS 416 HE3 -0.08 -0.06 -0.04 -0.04 2.99 2.77 2ba9A1 ASP 417 H -0.13 0.51 -0.21 -0.55 8.40 8.02 2ba9A1 ASP 417 HA -0.15 0.02 0.40 -0.75 4.63 4.15 2ba9A1 ASP 417 HB2 -0.25 0.09 0.14 -0.04 2.71 2.65 2ba9A1 ASP 417 HB3 -0.22 -0.02 0.01 -0.04 2.70 2.43 2ba9A1 LEU 418 H -0.20 0.51 -0.22 -0.55 8.37 7.91 2ba9A1 LEU 418 HA -0.16 0.01 0.41 -0.75 4.35 3.85 2ba9A1 LEU 418 HB2 -0.04 0.06 0.12 -0.04 1.64 1.74 2ba9A1 LEU 418 HB3 -0.06 0.12 0.08 -0.04 1.64 1.74 2ba9A1 LEU 418 HG 0.27 -0.01 -0.09 -0.04 1.64 1.77 2ba9A1 LEU 418 HD13 0.43 -0.01 0.00 -0.04 0.93 1.31 2ba9A1 LEU 418 HD23 0.09 -0.03 -0.15 -0.04 0.89 0.76 2ba9A1 VAL 419 H -0.15 0.41 -0.30 -0.55 8.24 7.65 2ba9A1 VAL 419 HA -0.20 0.01 0.40 -0.75 4.13 3.59 2ba9A1 VAL 419 HB -0.10 0.16 0.08 -0.04 2.12 2.22 2ba9A1 VAL 419 HG13 -0.11 0.03 -0.12 -0.04 0.97 0.74 2ba9A1 VAL 419 HG23 -0.29 0.02 -0.12 -0.04 0.95 0.52 2ba9A1 THR 420 H -0.11 0.30 -0.10 -0.55 8.28 7.81 2ba9A1 THR 420 HA -0.03 0.03 0.48 -0.75 4.39 4.11 2ba9A1 THR 420 HB -0.14 0.09 0.15 -0.04 4.32 4.38 2ba9A1 THR 420 HG23 -0.06 -0.01 -0.04 -0.04 1.22 1.06 2ba9A1 ARG 421 H -0.27 0.61 -0.10 -0.55 8.46 8.15 2ba9A1 ARG 421 HA -0.36 0.02 0.29 -0.75 4.34 3.54 2ba9A1 ARG 421 HB2 -0.90 0.00 0.11 -0.04 1.90 1.07 2ba9A1 ARG 421 HB3 -1.29 -0.03 0.00 -0.04 1.80 0.44 2ba9A1 ARG 421 HG2 -0.40 -0.04 -0.02 -0.04 1.67 1.16 2ba9A1 ARG 421 HG3 -0.42 0.17 -0.03 -0.04 1.67 1.35 2ba9A1 ARG 421 HD2 -0.80 0.01 -0.03 -0.04 3.22 2.36 2ba9A1 ARG 421 HD3 -0.83 -0.07 -0.05 -0.04 3.22 2.23 2ba9A1 PHE 422 H -0.07 0.28 -0.18 -0.55 8.34 7.82 2ba9A1 PHE 422 HA -0.06 0.24 0.95 -0.75 4.62 4.99 2ba9A1 PHE 422 HB2 -0.30 0.03 -0.00 -0.04 3.15 2.84 2ba9A1 PHE 422 HB3 -0.26 -0.04 -0.02 -0.04 3.06 2.70 2ba9A1 PHE 422 HD2 0.02 0.06 -0.03 -0.04 7.28 7.28 2ba9A1 PHE 422 HE2 0.03 -0.02 -0.02 -0.04 7.38 7.33 2ba9A1 PHE 422 HZ 0.01 0.00 0.01 -0.04 7.32 7.29 2ba9A1 PHE 423 H 0.19 0.30 0.09 -0.55 8.34 8.37 2ba9A1 PHE 423 HA -0.09 0.05 0.77 -0.75 4.62 4.60 2ba9A1 PHE 423 HB2 -0.32 0.06 0.21 -0.04 3.15 3.06 2ba9A1 PHE 423 HB3 -0.92 -0.01 -0.04 -0.04 3.06 2.05 2ba9A1 PHE 423 HD2 -0.64 0.08 -0.07 -0.04 7.28 6.62 2ba9A1 PHE 423 HE2 -0.55 -0.04 -0.17 -0.04 7.38 6.58 2ba9A1 PHE 423 HZ -0.57 -0.06 -0.19 -0.04 7.32 6.46 2ba9A1 VAL 424 H 0.15 0.39 0.11 -0.55 8.24 8.33 2ba9A1 VAL 424 HA 0.30 0.09 0.16 -0.75 4.13 3.92 2ba9A1 VAL 424 HB 0.09 -0.04 0.08 -0.04 2.12 2.20 2ba9A1 VAL 424 HG13 0.16 0.00 -0.02 -0.04 0.97 1.07 2ba9A1 VAL 424 HG23 0.04 0.03 0.12 -0.04 0.95 1.10