============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. HIS 14 0.900 -7.049 26.962 18.893 -99.200 -91.000 HIS 27 0.900 11.128 46.180 6.407 -99.200 -91.000 PHE 30 1.000 18.824 50.038 10.174 -99.200 -91.000 PHE 34 1.000 18.511 38.241 9.418 -99.200 -91.000 PHE 57 1.000 5.564 18.155 12.240 -99.200 -91.000 HIS 60 0.900 11.542 15.119 14.907 -99.200 -91.000 PHE 74 1.000 26.903 9.365 25.615 -99.200 -91.000 TYR 81 0.840 29.927 17.045 31.975 -99.200 -91.000 HIS 86 0.900 26.641 14.886 39.767 -99.200 -91.000 TYR 99 0.840 7.554 28.812 49.144 -99.200 -91.000 TRP 121 1.040 -2.775 20.938 32.220 -99.200 -91.000 TRP6 121 1.020 -4.089 19.382 33.424 -99.200 -91.000 PHE 134 1.000 2.591 29.334 38.023 -99.200 -91.000 TYR 155 0.840 2.219 12.801 33.883 -99.200 -91.000 PHE 157 1.000 5.403 13.507 29.135 -99.200 -91.000 PHE 162 1.000 1.926 27.133 21.745 -99.200 -91.000 HIS 188 0.900 7.858 15.821 32.015 -99.200 -91.000 TYR 191 0.840 8.228 14.041 40.431 -99.200 -91.000 PHE 199 1.000 22.846 18.757 37.745 -99.200 -91.000 HIS 204 0.900 20.278 27.815 36.263 -99.200 -91.000 TRP 223 1.040 31.380 38.049 25.568 -99.200 -91.000 TRP6 223 1.020 29.885 36.224 25.698 -99.200 -91.000 PHE 226 1.000 31.633 32.746 30.208 -99.200 -91.000 HIS 229 0.900 39.409 28.782 30.782 -99.200 -91.000 PHE 230 1.000 37.051 29.050 26.316 -99.200 -91.000 TYR 233 0.840 43.008 26.578 26.976 -99.200 -91.000 TRP 237 1.040 38.839 23.351 16.463 -99.200 -91.000 TRP6 237 1.020 40.494 22.886 18.084 -99.200 -91.000 TYR 241 0.840 27.053 19.938 18.028 -99.200 -91.000 PHE 244 1.000 23.640 19.251 20.973 -99.200 -91.000 HIS 248 0.900 20.883 15.910 21.875 -99.200 -91.000 PHE 257 1.000 17.952 11.866 30.220 -99.200 -91.000 PHE 261 1.000 20.454 14.475 35.774 -99.200 -91.000 PHE 265 1.000 26.892 10.710 40.958 -99.200 -91.000 PHE 267 1.000 21.140 14.536 40.845 -99.200 -91.000 HIS 268 0.900 12.808 10.236 44.614 -99.200 -91.000 TRP 273 1.040 9.532 7.262 35.432 -99.200 -91.000 TRP6 273 1.020 7.968 8.907 36.099 -99.200 -91.000 HIS 283 0.900 6.691 15.879 20.067 -99.200 -91.000 TYR 285 0.840 1.413 21.196 13.013 -99.200 -91.000 TYR 314 0.840 26.237 14.203 22.097 -99.200 -91.000 TYR 317 0.840 30.977 8.557 21.743 -99.200 -91.000 HIS 322 0.900 40.863 10.641 15.005 -99.200 -91.000 TYR 323 0.840 43.631 13.417 18.795 -99.200 -91.000 TYR 331 0.840 38.037 18.302 26.152 -99.200 -91.000 TYR 336 0.840 22.625 29.395 27.384 -99.200 -91.000 TYR 346 0.840 47.520 17.856 24.242 -99.200 -91.000 PHE 350 1.000 37.340 20.073 17.482 -99.200 -91.000 HIS 356 0.900 36.045 8.970 15.725 -99.200 -91.000 PHE 357 1.000 31.676 15.562 17.762 -99.200 -91.000 PHE 374 1.000 34.897 21.336 12.332 -99.200 -91.000 HIS 378 0.900 39.542 29.831 12.821 -99.200 -91.000 PHE 385 1.000 28.946 30.074 24.335 -99.200 -91.000 HIS 389 0.900 34.126 37.896 17.280 -99.200 -91.000 PHE 390 1.000 33.764 35.424 23.948 -99.200 -91.000 HIS 391 0.900 34.551 42.984 18.119 -99.200 -91.000 TYR 394 0.840 40.810 48.015 20.004 -99.200 -91.000 PHE 398 1.000 38.110 45.445 32.603 -99.200 -91.000 TYR 399 0.840 38.751 39.235 26.236 -99.200 -91.000 PHE 414 1.000 10.710 42.300 10.155 -99.200 -91.000 HIS 433 0.900 28.659 45.607 25.102 -99.200 -91.000 TYR 439 0.840 23.519 53.351 21.402 -99.200 -91.000 PHE 443 1.000 19.405 51.834 19.277 -99.200 -91.000 PHE 446 1.000 14.086 52.965 15.876 -99.200 -91.000 PHE 450 1.000 9.189 54.719 19.710 -99.200 -91.000 TYR 455 0.840 28.868 54.523 22.962 -99.200 -91.000 TYR 459 0.840 32.389 52.414 27.726 -99.200 -91.000 TRP 462 1.040 29.963 46.351 29.611 -99.200 -91.000 TRP6 462 1.020 32.125 47.165 29.113 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2d7sA1 GLY 1 HA2 0.02 -0.06 0.13 -0.51 4.01 3.59 2d7sA1 GLY 1 HA3 0.10 0.28 0.11 -0.51 4.01 3.99 2d7sA1 LEU 2 H 0.05 0.61 0.08 -0.55 8.37 8.56 2d7sA1 LEU 2 HA 0.04 0.20 0.96 -0.75 4.35 4.79 2d7sA1 LEU 2 HB2 0.01 -0.13 -0.23 -0.04 1.64 1.25 2d7sA1 LEU 2 HB3 0.01 -0.08 0.00 -0.04 1.64 1.53 2d7sA1 LEU 2 HG -0.01 0.09 -0.42 -0.04 1.64 1.26 2d7sA1 LEU 2 HD13 0.00 -0.03 0.04 -0.04 0.93 0.90 2d7sA1 LEU 2 HD23 -0.00 -0.03 -0.05 -0.04 0.89 0.77 2d7sA1 ILE 3 H -0.00 0.23 0.16 -0.55 8.25 8.09 2d7sA1 ILE 3 HA -0.07 0.21 0.70 -0.75 4.18 4.26 2d7sA1 ILE 3 HB -0.04 -0.02 0.10 -0.04 1.89 1.88 2d7sA1 ILE 3 HG12 -0.01 0.11 0.14 -0.04 1.49 1.69 2d7sA1 ILE 3 HG13 -0.05 -0.00 0.04 -0.04 1.21 1.16 2d7sA1 ILE 3 HG23 -0.11 -0.07 -0.08 -0.04 0.93 0.63 2d7sA1 ILE 3 HD13 -0.24 0.01 -0.08 -0.04 0.88 0.52 2d7sA1 VAL 4 H -0.04 0.55 0.39 -0.55 8.24 8.59 2d7sA1 VAL 4 HA -0.02 0.19 0.89 -0.75 4.13 4.44 2d7sA1 VAL 4 HB -0.02 -0.04 0.12 -0.04 2.12 2.14 2d7sA1 VAL 4 HG13 -0.02 0.02 -0.07 -0.04 0.97 0.86 2d7sA1 VAL 4 HG23 -0.04 0.05 -0.03 -0.04 0.95 0.90 2d7sA1 ASP 5 H -0.05 0.10 0.06 -0.55 8.40 7.95 2d7sA1 ASP 5 HA -0.04 0.02 0.37 -0.75 4.63 4.23 2d7sA1 ASP 5 HB2 -0.03 0.36 0.08 -0.04 2.71 3.08 2d7sA1 ASP 5 HB3 -0.04 -0.08 -0.05 -0.04 2.70 2.49 2d7sA1 THR 6 H -0.04 0.22 0.10 -0.55 8.28 8.01 2d7sA1 THR 6 HA -0.09 0.10 0.77 -0.75 4.39 4.42 2d7sA1 THR 6 HB -0.04 -0.00 0.18 -0.04 4.32 4.42 2d7sA1 THR 6 HG23 -0.05 -0.00 -0.14 -0.04 1.22 0.99 2d7sA1 ARG 7 H -0.05 0.38 0.18 -0.55 8.46 8.41 2d7sA1 ARG 7 HA -0.03 0.21 1.04 -0.75 4.34 4.80 2d7sA1 ARG 7 HB2 -0.03 0.00 0.02 -0.04 1.90 1.86 2d7sA1 ARG 7 HB3 -0.04 0.02 -0.10 -0.04 1.80 1.64 2d7sA1 ARG 7 HG2 -0.03 0.07 -0.19 -0.04 1.67 1.47 2d7sA1 ARG 7 HG3 -0.03 0.00 -0.46 -0.04 1.67 1.14 2d7sA1 ARG 7 HD2 -0.03 -0.04 -0.13 -0.04 3.22 2.98 2d7sA1 ARG 7 HD3 -0.03 -0.01 -0.08 -0.04 3.22 3.06 2d7sA1 ASP 8 H -0.02 0.21 0.15 -0.55 8.40 8.20 2d7sA1 ASP 8 HA -0.02 0.22 0.86 -0.75 4.63 4.93 2d7sA1 ASP 8 HB2 -0.01 -0.02 0.14 -0.04 2.71 2.78 2d7sA1 ASP 8 HB3 -0.01 0.05 -0.01 -0.04 2.70 2.68 2d7sA1 VAL 9 H -0.02 0.56 0.21 -0.55 8.24 8.45 2d7sA1 VAL 9 HA -0.02 0.10 0.89 -0.75 4.13 4.35 2d7sA1 VAL 9 HB -0.02 -0.03 -0.27 -0.04 2.12 1.76 2d7sA1 VAL 9 HG13 -0.03 0.00 -0.21 -0.04 0.97 0.69 2d7sA1 VAL 9 HG23 -0.02 -0.02 0.04 -0.04 0.95 0.92 2d7sA1 GLU 10 H -0.01 0.07 0.13 -0.55 8.60 8.23 2d7sA1 GLU 10 HA -0.01 -0.01 0.37 -0.75 4.29 3.88 2d7sA1 GLU 10 HB2 -0.01 0.00 0.10 -0.04 2.09 2.14 2d7sA1 GLU 10 HB3 -0.01 -0.02 0.04 -0.04 1.99 1.95 2d7sA1 GLU 10 HG2 -0.01 0.01 0.05 -0.04 2.34 2.35 2d7sA1 GLU 10 HG3 -0.01 -0.04 0.07 -0.04 2.34 2.33 2d7sA1 GLU 11 H -0.01 -0.02 0.12 -0.55 8.60 8.14 2d7sA1 GLU 11 HA -0.01 0.01 0.35 -0.75 4.29 3.88 2d7sA1 GLU 11 HB2 -0.02 0.02 0.04 -0.04 2.09 2.09 2d7sA1 GLU 11 HB3 -0.01 -0.07 0.06 -0.04 1.99 1.94 2d7sA1 GLU 11 HG2 0.00 0.01 0.08 -0.04 2.34 2.39 2d7sA1 GLU 11 HG3 -0.01 -0.04 0.09 -0.04 2.34 2.34 2d7sA1 ARG 12 H -0.00 0.16 0.10 -0.55 8.46 8.16 2d7sA1 ARG 12 HA -0.04 0.29 0.08 -0.75 4.34 3.91 2d7sA1 ARG 12 HB2 -0.02 0.15 -0.13 -0.04 1.90 1.86 2d7sA1 ARG 12 HB3 -0.01 -0.03 0.03 -0.04 1.80 1.75 2d7sA1 ARG 12 HG2 -0.02 -0.04 -0.30 -0.04 1.67 1.26 2d7sA1 ARG 12 HG3 -0.07 -0.18 -0.14 -0.04 1.67 1.25 2d7sA1 ARG 12 HD2 -0.03 0.06 0.00 -0.04 3.22 3.21 2d7sA1 ARG 12 HD3 -0.02 0.03 -0.04 -0.04 3.22 3.15 2d7sA1 VAL 13 H -0.08 0.56 0.02 -0.55 8.24 8.19 2d7sA1 VAL 13 HA -0.09 0.11 0.70 -0.75 4.13 4.09 2d7sA1 VAL 13 HB -0.11 -0.20 0.23 -0.04 2.12 1.99 2d7sA1 VAL 13 HG13 -0.17 0.00 -0.10 -0.04 0.97 0.66 2d7sA1 VAL 13 HG23 -0.05 0.07 -0.06 -0.04 0.95 0.87 2d7sA1 HIS 14 H -0.10 0.24 0.16 -0.55 8.41 8.17 2d7sA1 HIS 14 HA -0.11 -0.04 0.58 -0.75 4.63 4.31 2d7sA1 HIS 14 HB2 -0.05 0.04 0.09 -0.04 3.26 3.30 2d7sA1 HIS 14 HB3 -0.05 0.03 0.11 -0.04 3.20 3.25 2d7sA1 HIS 14 HD2 -0.02 0.05 0.14 -0.04 6.97 7.10 2d7sA1 HIS 14 HE1 0.01 -0.01 0.06 -0.04 7.75 7.77 2d7sA1 VAL 15 H -0.14 0.13 0.37 -0.55 8.24 8.05 2d7sA1 VAL 15 HA -0.23 0.18 0.84 -0.75 4.13 4.17 2d7sA1 VAL 15 HB -0.17 -0.04 0.17 -0.04 2.12 2.04 2d7sA1 VAL 15 HG13 -0.27 0.09 -0.02 -0.04 0.97 0.72 2d7sA1 VAL 15 HG23 -0.10 0.01 -0.03 -0.04 0.95 0.78 2d7sA1 MET 16 H -0.04 -0.11 0.13 -0.55 8.47 7.91 2d7sA1 MET 16 HA 0.00 0.15 0.53 -0.75 4.52 4.46 2d7sA1 MET 16 HB2 0.00 0.01 0.07 -0.04 2.15 2.19 2d7sA1 MET 16 HB3 -0.03 -0.05 0.17 -0.04 2.03 2.08 2d7sA1 MET 16 HG2 0.03 -0.08 0.09 -0.04 2.63 2.63 2d7sA1 MET 16 HG3 0.01 0.05 -0.06 -0.04 2.56 2.52 2d7sA1 MET 16 HE3 -0.01 0.00 -0.01 -0.04 2.10 2.04 2d7sA1 ARG 17 H 0.02 0.33 0.23 -0.55 8.46 8.49 2d7sA1 ARG 17 HA 0.02 0.03 0.42 -0.75 4.34 4.06 2d7sA1 ARG 17 HB2 0.04 -0.07 0.16 -0.04 1.90 1.99 2d7sA1 ARG 17 HB3 0.04 0.14 -0.05 -0.04 1.80 1.89 2d7sA1 ARG 17 HG2 0.03 0.20 -0.12 -0.04 1.67 1.74 2d7sA1 ARG 17 HG3 0.05 0.01 -0.12 -0.04 1.67 1.57 2d7sA1 ARG 17 HD2 0.05 -0.00 -0.12 -0.04 3.22 3.11 2d7sA1 ARG 17 HD3 0.06 -0.03 0.01 -0.04 3.22 3.22 2d7sA1 LYS 18 H 0.03 0.13 0.13 -0.55 8.42 8.16 2d7sA1 LYS 18 HA 0.02 0.12 0.78 -0.75 4.32 4.48 2d7sA1 LYS 18 HB2 0.02 -0.02 0.07 -0.04 1.87 1.90 2d7sA1 LYS 18 HB3 0.02 0.16 0.04 -0.04 1.79 1.97 2d7sA1 LYS 18 HG2 0.01 0.05 0.04 -0.04 1.46 1.52 2d7sA1 LYS 18 HG3 0.01 -0.01 0.05 -0.04 1.46 1.48 2d7sA1 LYS 18 HD2 0.01 -0.03 -0.04 -0.04 1.69 1.60 2d7sA1 LYS 18 HD3 0.01 0.03 -0.02 -0.04 1.68 1.66 2d7sA1 LYS 18 HE2 0.01 0.02 -0.07 -0.04 2.99 2.91 2d7sA1 LYS 18 HE3 0.01 -0.04 -0.32 -0.04 2.99 2.61 2d7sA1 THR 19 H 0.01 0.16 0.18 -0.55 8.28 8.08 2d7sA1 THR 19 HA 0.02 0.12 0.71 -0.75 4.39 4.48 2d7sA1 THR 19 HB -0.01 0.07 0.06 -0.04 4.32 4.40 2d7sA1 THR 19 HG23 -0.01 0.03 0.08 -0.04 1.22 1.28 2d7sA1 LYS 20 H 0.03 0.13 0.16 -0.55 8.42 8.18 2d7sA1 LYS 20 HA 0.03 0.21 0.76 -0.75 4.32 4.58 2d7sA1 LYS 20 HB2 0.04 -0.05 0.08 -0.04 1.87 1.89 2d7sA1 LYS 20 HB3 0.03 0.03 0.07 -0.04 1.79 1.89 2d7sA1 LYS 20 HG2 0.04 -0.01 0.12 -0.04 1.46 1.56 2d7sA1 LYS 20 HG3 0.03 0.01 0.05 -0.04 1.46 1.51 2d7sA1 LYS 20 HD2 0.05 0.02 0.04 -0.04 1.69 1.75 2d7sA1 LYS 20 HD3 0.04 -0.01 0.02 -0.04 1.68 1.69 2d7sA1 LYS 20 HE2 0.04 -0.01 -0.01 -0.04 2.99 2.97 2d7sA1 LYS 20 HE3 0.05 0.05 -0.01 -0.04 2.99 3.03 2d7sA1 LEU 21 H 0.02 -0.03 -0.13 -0.55 8.37 7.68 2d7sA1 LEU 21 HA 0.08 -0.02 0.22 -0.75 4.35 3.87 2d7sA1 LEU 21 HB2 -0.03 -0.03 -0.07 -0.04 1.64 1.47 2d7sA1 LEU 21 HB3 0.08 0.05 -0.23 -0.04 1.64 1.50 2d7sA1 LEU 21 HG 0.02 -0.05 -0.10 -0.04 1.64 1.47 2d7sA1 LEU 21 HD13 -0.04 0.01 -0.26 -0.04 0.93 0.60 2d7sA1 LEU 21 HD23 0.07 0.01 -0.15 -0.04 0.89 0.79 2d7sA1 ALA 22 H 0.16 0.16 -0.10 -0.55 8.40 8.07 2d7sA1 ALA 22 HA 0.17 0.17 0.73 -0.75 4.34 4.66 2d7sA1 ALA 22 HB3 0.07 0.03 -0.02 -0.04 1.41 1.46 2d7sA1 PRO 23 HA -0.21 0.38 0.68 -0.51 4.44 4.79 2d7sA1 PRO 23 HB2 -0.14 -0.01 0.10 -0.04 2.28 2.19 2d7sA1 PRO 23 HB3 -0.48 0.03 0.16 -0.04 2.02 1.69 2d7sA1 PRO 23 HG2 -0.06 0.03 0.10 -0.04 2.03 2.06 2d7sA1 PRO 23 HG3 0.29 0.05 0.11 -0.04 2.03 2.44 2d7sA1 PRO 23 HD2 0.06 0.09 0.22 -0.04 3.68 4.01 2d7sA1 PRO 23 HD3 0.21 0.13 0.20 -0.04 3.65 4.15 2d7sA1 THR 24 H -0.10 0.32 0.35 -0.55 8.28 8.30 2d7sA1 THR 24 HA 0.03 0.20 0.87 -0.75 4.39 4.74 2d7sA1 THR 24 HB 0.13 -0.07 0.20 -0.04 4.32 4.54 2d7sA1 THR 24 HG23 0.06 0.05 -0.23 -0.04 1.22 1.06 2d7sA1 VAL 25 H -0.03 0.19 0.18 -0.55 8.24 8.03 2d7sA1 VAL 25 HA -0.11 0.08 0.40 -0.75 4.13 3.74 2d7sA1 VAL 25 HB -0.09 -0.03 0.14 -0.04 2.12 2.10 2d7sA1 VAL 25 HG13 -0.50 0.02 0.04 -0.04 0.97 0.48 2d7sA1 VAL 25 HG23 -0.22 0.01 0.01 -0.04 0.95 0.72 2d7sA1 ALA 26 H -0.17 0.03 -0.37 -0.55 8.40 7.35 2d7sA1 ALA 26 HA -0.43 0.16 0.42 -0.75 4.34 3.73 2d7sA1 ALA 26 HB3 0.14 0.06 -0.07 -0.04 1.41 1.50 2d7sA1 HIS 27 H -0.03 0.21 -0.10 -0.55 8.41 7.94 2d7sA1 HIS 27 HA -0.13 -0.01 0.46 -0.75 4.63 4.20 2d7sA1 HIS 27 HB2 -0.38 0.10 0.34 -0.04 3.26 3.28 2d7sA1 HIS 27 HB3 -0.17 0.17 0.20 -0.04 3.20 3.36 2d7sA1 HIS 27 HD2 -0.77 0.03 0.06 -0.04 6.97 6.25 2d7sA1 HIS 27 HE1 0.02 0.00 -0.03 -0.04 7.75 7.71 2d7sA1 GLY 28 H -0.02 0.27 -0.35 -0.55 8.43 7.78 2d7sA1 GLY 28 HA2 0.06 0.07 0.43 -0.51 4.01 4.06 2d7sA1 GLY 28 HA3 -0.03 0.02 0.32 -0.51 4.01 3.81 2d7sA1 VAL 29 H -0.25 0.12 -0.73 -0.55 8.24 6.83 2d7sA1 VAL 29 HA -0.22 0.14 0.84 -0.75 4.13 4.13 2d7sA1 VAL 29 HB -0.99 0.10 0.09 -0.04 2.12 1.28 2d7sA1 VAL 29 HG13 -0.46 -0.02 -0.06 -0.04 0.97 0.38 2d7sA1 VAL 29 HG23 -0.31 0.00 -0.20 -0.04 0.95 0.40 2d7sA1 PHE 30 H -0.31 0.28 0.20 -0.55 8.34 7.96 2d7sA1 PHE 30 HA -0.07 0.16 0.77 -0.75 4.62 4.72 2d7sA1 PHE 30 HB2 -0.12 -0.01 -0.04 -0.04 3.15 2.94 2d7sA1 PHE 30 HB3 -0.07 -0.07 -0.04 -0.04 3.06 2.84 2d7sA1 PHE 30 HD2 -0.09 -0.00 -0.12 -0.04 7.28 7.02 2d7sA1 PHE 30 HE2 -0.07 0.01 -0.08 -0.04 7.38 7.21 2d7sA1 PHE 30 HZ -0.09 0.15 -0.01 -0.04 7.32 7.33 2d7sA1 ASN 31 H -0.15 0.29 0.22 -0.55 8.53 8.35 2d7sA1 ASN 31 HA -0.43 0.06 0.44 -0.75 4.76 4.08 2d7sA1 ASN 31 HB2 -0.03 0.07 -0.21 -0.04 2.88 2.67 2d7sA1 ASN 31 HB3 -0.05 -0.05 0.10 -0.04 2.79 2.75 2d7sA1 ASN 31 HD21 0.07 -0.05 -0.03 -0.04 7.03 6.98 2d7sA1 ASN 31 HD22 0.02 -0.02 0.00 -0.04 7.74 7.70 2d7sA1 PRO 32 HA 0.12 0.08 0.45 -0.51 4.44 4.58 2d7sA1 PRO 32 HB2 0.43 -0.06 -0.09 -0.04 2.28 2.52 2d7sA1 PRO 32 HB3 0.10 0.04 -0.10 -0.04 2.02 2.02 2d7sA1 PRO 32 HG2 0.17 0.12 0.11 -0.04 2.03 2.39 2d7sA1 PRO 32 HG3 -0.00 0.05 0.00 -0.04 2.03 2.04 2d7sA1 PRO 32 HD2 -0.54 0.12 0.25 -0.04 3.68 3.47 2d7sA1 PRO 32 HD3 -0.08 0.06 -0.02 -0.04 3.65 3.57 2d7sA1 GLU 33 H 0.12 0.14 0.08 -0.55 8.60 8.40 2d7sA1 GLU 33 HA -0.03 0.20 0.57 -0.75 4.29 4.27 2d7sA1 GLU 33 HB2 -0.24 -0.04 0.18 -0.04 2.09 1.95 2d7sA1 GLU 33 HB3 -0.17 -0.07 0.22 -0.04 1.99 1.93 2d7sA1 GLU 33 HG2 -0.01 0.03 0.09 -0.04 2.34 2.41 2d7sA1 GLU 33 HG3 -0.05 -0.02 0.06 -0.04 2.34 2.29 2d7sA1 PHE 34 H 0.26 0.56 -1.01 -0.55 8.34 7.60 2d7sA1 PHE 34 HA 0.04 0.06 0.95 -0.75 4.62 4.91 2d7sA1 PHE 34 HB2 0.17 -0.01 -0.14 -0.04 3.15 3.13 2d7sA1 PHE 34 HB3 0.09 0.02 -0.16 -0.04 3.06 2.96 2d7sA1 PHE 34 HD2 0.02 -0.07 -0.45 -0.04 7.28 6.74 2d7sA1 PHE 34 HE2 -0.01 -0.00 -0.13 -0.04 7.38 7.19 2d7sA1 PHE 34 HZ -0.01 -0.01 -0.09 -0.04 7.32 7.17 2d7sA1 GLY 35 H 0.10 0.77 0.29 -0.55 8.43 9.04 2d7sA1 GLY 35 HA2 -0.45 0.10 0.47 -0.51 4.01 3.62 2d7sA1 GLY 35 HA3 -0.07 0.07 0.26 -0.51 4.01 3.76 2d7sA1 PRO 36 HA -0.13 0.22 0.41 -0.51 4.44 4.44 2d7sA1 PRO 36 HB2 -0.11 0.02 -0.02 -0.04 2.28 2.13 2d7sA1 PRO 36 HB3 -0.10 -0.04 0.03 -0.04 2.02 1.86 2d7sA1 PRO 36 HG2 -0.24 0.10 -0.04 -0.04 2.03 1.81 2d7sA1 PRO 36 HG3 -0.41 -0.02 -0.09 -0.04 2.03 1.47 2d7sA1 PRO 36 HD2 -0.28 0.13 0.13 -0.04 3.68 3.62 2d7sA1 PRO 36 HD3 -1.07 0.13 0.12 -0.04 3.65 2.79 2d7sA1 ALA 37 H -0.04 0.23 0.26 -0.55 8.40 8.31 2d7sA1 ALA 37 HA -0.02 0.06 0.45 -0.75 4.34 4.08 2d7sA1 ALA 37 HB3 -0.01 0.01 0.07 -0.04 1.41 1.44 2d7sA1 ALA 38 H -0.02 0.15 0.11 -0.55 8.40 8.09 2d7sA1 ALA 38 HA -0.01 -0.02 0.44 -0.75 4.34 4.00 2d7sA1 ALA 38 HB3 -0.01 0.04 0.10 -0.04 1.41 1.49 2d7sA1 LEU 39 H 0.00 0.07 0.23 -0.55 8.37 8.13 2d7sA1 LEU 39 HA 0.02 0.21 0.80 -0.75 4.35 4.62 2d7sA1 LEU 39 HB2 0.02 0.02 0.06 -0.04 1.64 1.69 2d7sA1 LEU 39 HB3 0.03 -0.00 0.01 -0.04 1.64 1.63 2d7sA1 LEU 39 HG 0.01 0.30 -0.33 -0.04 1.64 1.57 2d7sA1 LEU 39 HD13 0.02 -0.03 -0.24 -0.04 0.93 0.64 2d7sA1 LEU 39 HD23 0.03 0.02 -0.30 -0.04 0.89 0.60 2d7sA1 SER 40 H 0.01 0.07 0.12 -0.55 8.46 8.12 2d7sA1 SER 40 HA 0.02 0.16 0.89 -0.75 4.49 4.82 2d7sA1 SER 40 HB2 0.01 0.15 -0.02 -0.04 3.95 4.06 2d7sA1 SER 40 HB3 0.01 -0.02 0.06 -0.04 3.93 3.94 2d7sA1 ASN 41 H 0.03 0.20 0.11 -0.55 8.53 8.33 2d7sA1 ASN 41 HA 0.02 0.09 0.37 -0.75 4.76 4.49 2d7sA1 ASN 41 HB2 0.04 0.01 0.22 -0.04 2.88 3.11 2d7sA1 ASN 41 HB3 0.07 -0.05 0.17 -0.04 2.79 2.94 2d7sA1 ASN 41 HD21 0.02 0.04 0.01 -0.04 7.03 7.06 2d7sA1 ASN 41 HD22 0.04 -0.01 0.04 -0.04 7.74 7.77 2d7sA1 LYS 42 H 0.01 -0.09 -1.09 -0.55 8.42 6.71 2d7sA1 LYS 42 HA 0.01 0.27 0.75 -0.75 4.32 4.58 2d7sA1 LYS 42 HB2 0.01 0.04 0.12 -0.04 1.87 2.00 2d7sA1 LYS 42 HB3 0.01 0.03 -0.11 -0.04 1.79 1.68 2d7sA1 LYS 42 HG2 0.01 -0.01 -0.09 -0.04 1.46 1.33 2d7sA1 LYS 42 HG3 0.01 -0.11 -0.15 -0.04 1.46 1.18 2d7sA1 LYS 42 HD2 0.01 0.05 0.02 -0.04 1.69 1.72 2d7sA1 LYS 42 HD3 0.00 0.01 -0.03 -0.04 1.68 1.62 2d7sA1 LYS 42 HE2 0.00 0.02 -0.04 -0.04 2.99 2.94 2d7sA1 LYS 42 HE3 0.01 -0.03 -0.07 -0.04 2.99 2.85 2d7sA1 ASP 43 H 0.01 0.38 -0.03 -0.55 8.40 8.21 2d7sA1 ASP 43 HA 0.00 0.09 0.50 -0.75 4.63 4.47 2d7sA1 ASP 43 HB2 0.00 0.01 0.24 -0.04 2.71 2.92 2d7sA1 ASP 43 HB3 -0.00 0.00 0.15 -0.04 2.70 2.81 2d7sA1 PRO 44 HA 0.00 0.10 0.34 -0.51 4.44 4.37 2d7sA1 PRO 44 HB2 0.00 0.00 0.03 -0.04 2.28 2.28 2d7sA1 PRO 44 HB3 0.00 0.03 0.11 -0.04 2.02 2.13 2d7sA1 PRO 44 HG2 0.00 0.02 0.10 -0.04 2.03 2.11 2d7sA1 PRO 44 HG3 0.00 0.08 0.14 -0.04 2.03 2.21 2d7sA1 PRO 44 HD2 0.00 0.05 0.21 -0.04 3.68 3.90 2d7sA1 PRO 44 HD3 0.00 0.17 0.32 -0.04 3.65 4.10 2d7sA1 ARG 45 H -0.00 -0.04 -0.55 -0.55 8.46 7.31 2d7sA1 ARG 45 HA 0.00 0.24 0.85 -0.75 4.34 4.67 2d7sA1 ARG 45 HB2 -0.00 -0.06 -0.06 -0.04 1.90 1.74 2d7sA1 ARG 45 HB3 -0.00 0.00 -0.05 -0.04 1.80 1.70 2d7sA1 ARG 45 HG2 0.01 0.02 -0.02 -0.04 1.67 1.64 2d7sA1 ARG 45 HG3 0.01 -0.02 -0.19 -0.04 1.67 1.43 2d7sA1 ARG 45 HD2 0.01 0.01 -0.07 -0.04 3.22 3.13 2d7sA1 ARG 45 HD3 0.02 0.01 -0.05 -0.04 3.22 3.15 2d7sA1 LEU 46 H -0.00 0.46 -0.08 -0.55 8.37 8.20 2d7sA1 LEU 46 HA -0.01 0.04 0.40 -0.75 4.35 4.03 2d7sA1 LEU 46 HB2 -0.00 -0.05 -0.02 -0.04 1.64 1.54 2d7sA1 LEU 46 HB3 -0.01 0.15 -0.06 -0.04 1.64 1.68 2d7sA1 LEU 46 HG -0.00 -0.08 0.13 -0.04 1.64 1.64 2d7sA1 LEU 46 HD13 0.00 -0.04 -0.20 -0.04 0.93 0.65 2d7sA1 LEU 46 HD23 -0.01 0.01 -0.02 -0.04 0.89 0.83 2d7sA1 ASN 47 H -0.01 0.57 0.35 -0.55 8.53 8.89 2d7sA1 ASN 47 HA -0.01 -0.05 0.40 -0.75 4.76 4.35 2d7sA1 ASN 47 HB2 -0.01 0.21 0.02 -0.04 2.88 3.05 2d7sA1 ASN 47 HB3 -0.01 0.00 -0.05 -0.04 2.79 2.69 2d7sA1 ASN 47 HD21 -0.02 -0.05 -0.03 -0.04 7.03 6.90 2d7sA1 ASN 47 HD22 -0.01 0.01 -0.09 -0.04 7.74 7.60 2d7sA1 GLU 48 H -0.00 0.03 0.18 -0.55 8.60 8.26 2d7sA1 GLU 48 HA -0.00 0.00 0.37 -0.75 4.29 3.91 2d7sA1 GLU 48 HB2 -0.00 0.00 -0.00 -0.04 2.09 2.05 2d7sA1 GLU 48 HB3 -0.00 -0.01 0.09 -0.04 1.99 2.02 2d7sA1 GLU 48 HG2 -0.00 -0.00 0.05 -0.04 2.34 2.34 2d7sA1 GLU 48 HG3 -0.00 0.02 0.17 -0.04 2.34 2.48 2d7sA1 GLY 49 H 0.00 0.09 0.07 -0.55 8.43 8.04 2d7sA1 GLY 49 HA2 0.00 -0.04 0.32 -0.51 4.01 3.78 2d7sA1 GLY 49 HA3 0.00 -0.00 0.29 -0.51 4.01 3.78 2d7sA1 VAL 50 H -0.00 0.51 -0.31 -0.55 8.24 7.89 2d7sA1 VAL 50 HA -0.00 0.04 0.71 -0.75 4.13 4.12 2d7sA1 VAL 50 HB -0.01 0.01 -0.04 -0.04 2.12 2.04 2d7sA1 VAL 50 HG13 -0.01 0.03 0.02 -0.04 0.97 0.97 2d7sA1 VAL 50 HG23 -0.01 0.10 -0.02 -0.04 0.95 0.98 2d7sA1 VAL 51 H 0.00 0.10 0.19 -0.55 8.24 7.98 2d7sA1 VAL 51 HA 0.01 0.18 0.59 -0.75 4.13 4.16 2d7sA1 VAL 51 HB 0.02 -0.14 0.06 -0.04 2.12 2.02 2d7sA1 VAL 51 HG13 0.04 -0.04 0.08 -0.04 0.97 1.01 2d7sA1 VAL 51 HG23 0.02 0.05 0.07 -0.04 0.95 1.04 2d7sA1 LEU 52 H 0.01 0.13 0.22 -0.55 8.37 8.18 2d7sA1 LEU 52 HA -0.04 0.25 0.53 -0.75 4.35 4.34 2d7sA1 LEU 52 HB2 0.01 0.03 0.09 -0.04 1.64 1.73 2d7sA1 LEU 52 HB3 0.03 -0.15 0.13 -0.04 1.64 1.61 2d7sA1 LEU 52 HG -0.07 0.01 -0.18 -0.04 1.64 1.37 2d7sA1 LEU 52 HD13 -0.04 0.06 0.01 -0.04 0.93 0.92 2d7sA1 LEU 52 HD23 0.04 0.01 -0.41 -0.04 0.89 0.49 2d7sA1 ASP 53 H 0.03 0.05 0.06 -0.55 8.40 8.00 2d7sA1 ASP 53 HA -0.29 0.08 0.31 -0.75 4.63 3.97 2d7sA1 ASP 53 HB2 0.13 -0.01 0.02 -0.04 2.71 2.81 2d7sA1 ASP 53 HB3 0.32 0.07 -0.00 -0.04 2.70 3.05 2d7sA1 GLU 54 H 0.02 -0.04 -0.42 -0.55 8.60 7.61 2d7sA1 GLU 54 HA 0.06 0.04 0.26 -0.75 4.29 3.90 2d7sA1 GLU 54 HB2 0.02 -0.10 0.06 -0.04 2.09 2.03 2d7sA1 GLU 54 HB3 -0.00 0.13 0.04 -0.04 1.99 2.12 2d7sA1 GLU 54 HG2 0.01 -0.01 -0.01 -0.04 2.34 2.29 2d7sA1 GLU 54 HG3 0.01 0.08 -0.17 -0.04 2.34 2.23 2d7sA1 VAL 55 H -0.05 0.31 -0.23 -0.55 8.24 7.71 2d7sA1 VAL 55 HA -0.04 0.02 0.42 -0.75 4.13 3.77 2d7sA1 VAL 55 HB -0.08 0.11 0.26 -0.04 2.12 2.36 2d7sA1 VAL 55 HG13 -0.05 -0.02 -0.25 -0.04 0.97 0.60 2d7sA1 VAL 55 HG23 -0.03 0.06 0.09 -0.04 0.95 1.03 2d7sA1 ILE 56 H -0.24 0.55 0.05 -0.55 8.25 8.06 2d7sA1 ILE 56 HA -0.22 0.06 0.32 -0.75 4.18 3.58 2d7sA1 ILE 56 HB -0.88 -0.01 0.06 -0.04 1.89 1.02 2d7sA1 ILE 56 HG12 -0.35 -0.15 -0.09 -0.04 1.49 0.86 2d7sA1 ILE 56 HG13 -0.25 0.23 0.03 -0.04 1.21 1.19 2d7sA1 ILE 56 HG23 -0.94 -0.03 -0.24 -0.04 0.93 -0.32 2d7sA1 ILE 56 HD13 -0.16 0.05 0.10 -0.04 0.88 0.83 2d7sA1 PHE 57 H -0.40 0.44 -0.23 -0.55 8.34 7.60 2d7sA1 PHE 57 HA 0.09 0.10 0.72 -0.75 4.62 4.77 2d7sA1 PHE 57 HB2 -0.06 0.08 0.01 -0.04 3.15 3.13 2d7sA1 PHE 57 HB3 -0.13 -0.03 0.13 -0.04 3.06 2.99 2d7sA1 PHE 57 HD2 -0.13 0.07 -0.08 -0.04 7.28 7.10 2d7sA1 PHE 57 HE2 -0.24 -0.07 -0.08 -0.04 7.38 6.95 2d7sA1 PHE 57 HZ -1.23 -0.06 -0.07 -0.04 7.32 5.92 2d7sA1 SER 58 H 0.01 0.69 -0.40 -0.55 8.46 8.21 2d7sA1 SER 58 HA 0.09 0.08 0.50 -0.75 4.49 4.40 2d7sA1 SER 58 HB2 0.02 -0.11 0.16 -0.04 3.95 3.98 2d7sA1 SER 58 HB3 0.02 0.17 0.17 -0.04 3.93 4.26 2d7sA1 LYS 59 H 0.09 0.12 -0.64 -0.55 8.42 7.44 2d7sA1 LYS 59 HA -0.05 0.11 0.66 -0.75 4.32 4.29 2d7sA1 LYS 59 HB2 -0.17 -0.06 0.06 -0.04 1.87 1.66 2d7sA1 LYS 59 HB3 -0.07 -0.03 0.03 -0.04 1.79 1.67 2d7sA1 LYS 59 HG2 -0.01 0.22 0.07 -0.04 1.46 1.70 2d7sA1 LYS 59 HG3 -0.48 0.06 -0.08 -0.04 1.46 0.92 2d7sA1 LYS 59 HD2 -0.19 -0.09 0.01 -0.04 1.69 1.37 2d7sA1 LYS 59 HD3 -0.07 -0.07 0.04 -0.04 1.68 1.54 2d7sA1 LYS 59 HE2 0.02 0.19 0.08 -0.04 2.99 3.25 2d7sA1 LYS 59 HE3 0.16 0.02 0.00 -0.04 2.99 3.13 2d7sA1 HIS 60 H 0.19 0.23 -0.21 -0.55 8.41 8.08 2d7sA1 HIS 60 HA -0.01 0.38 0.68 -0.75 4.63 4.92 2d7sA1 HIS 60 HB2 0.00 -0.04 0.20 -0.04 3.26 3.38 2d7sA1 HIS 60 HB3 -0.01 0.11 -0.08 -0.04 3.20 3.17 2d7sA1 HIS 60 HD2 0.06 0.09 0.06 -0.04 6.97 7.14 2d7sA1 HIS 60 HE1 -0.09 -0.06 -0.10 -0.04 7.75 7.46 2d7sA1 LYS 61 H -0.01 0.43 -0.12 -0.55 8.42 8.16 2d7sA1 LYS 61 HA 0.03 0.04 0.44 -0.75 4.32 4.07 2d7sA1 LYS 61 HB2 -0.01 0.05 0.02 -0.04 1.87 1.89 2d7sA1 LYS 61 HB3 0.00 -0.10 0.13 -0.04 1.79 1.78 2d7sA1 LYS 61 HG2 -0.01 0.10 -0.14 -0.04 1.46 1.38 2d7sA1 LYS 61 HG3 -0.01 -0.07 0.01 -0.04 1.46 1.35 2d7sA1 LYS 61 HD2 0.01 -0.10 0.02 -0.04 1.69 1.57 2d7sA1 LYS 61 HD3 0.02 0.02 -0.11 -0.04 1.68 1.57 2d7sA1 LYS 61 HE2 0.00 0.36 0.09 -0.04 2.99 3.40 2d7sA1 LYS 61 HE3 -0.00 -0.10 0.01 -0.04 2.99 2.86 2d7sA1 GLY 62 H 0.03 0.58 -0.44 -0.55 8.43 8.06 2d7sA1 GLY 62 HA2 0.02 -0.07 0.16 -0.51 4.01 3.60 2d7sA1 GLY 62 HA3 0.00 0.09 0.81 -0.51 4.01 4.41 2d7sA1 ASP 63 H -0.00 0.13 -0.06 -0.55 8.40 7.92 2d7sA1 ASP 63 HA -0.02 0.25 0.73 -0.75 4.63 4.84 2d7sA1 ASP 63 HB2 0.00 0.14 -0.21 -0.04 2.71 2.60 2d7sA1 ASP 63 HB3 -0.00 -0.04 0.00 -0.04 2.70 2.62 2d7sA1 THR 64 H -0.03 0.28 -0.01 -0.55 8.28 7.97 2d7sA1 THR 64 HA -0.02 -0.01 0.34 -0.75 4.39 3.94 2d7sA1 THR 64 HB -0.07 0.03 -0.07 -0.04 4.32 4.17 2d7sA1 THR 64 HG23 -0.04 0.01 -0.28 -0.04 1.22 0.87 2d7sA1 LYS 65 H -0.02 0.14 0.23 -0.55 8.42 8.21 2d7sA1 LYS 65 HA -0.04 0.03 0.81 -0.75 4.32 4.37 2d7sA1 LYS 65 HB2 -0.01 -0.02 0.10 -0.04 1.87 1.90 2d7sA1 LYS 65 HB3 -0.02 -0.02 0.07 -0.04 1.79 1.79 2d7sA1 LYS 65 HG2 -0.02 0.06 0.07 -0.04 1.46 1.54 2d7sA1 LYS 65 HG3 -0.01 -0.03 0.03 -0.04 1.46 1.41 2d7sA1 LYS 65 HD2 -0.03 0.12 -0.55 -0.04 1.69 1.19 2d7sA1 LYS 65 HD3 -0.02 0.01 -0.03 -0.04 1.68 1.60 2d7sA1 LYS 65 HE2 -0.02 0.00 0.02 -0.04 2.99 2.95 2d7sA1 LYS 65 HE3 -0.03 -0.05 0.12 -0.04 2.99 3.00 2d7sA1 MET 66 H -0.04 0.08 0.14 -0.55 8.47 8.10 2d7sA1 MET 66 HA -0.01 0.30 1.07 -0.75 4.52 5.13 2d7sA1 MET 66 HB2 -0.04 -0.06 -0.06 -0.04 2.15 1.95 2d7sA1 MET 66 HB3 -0.00 -0.05 -0.01 -0.04 2.03 1.93 2d7sA1 MET 66 HG2 -0.08 0.33 -0.15 -0.04 2.63 2.69 2d7sA1 MET 66 HG3 -0.09 -0.08 -0.20 -0.04 2.56 2.14 2d7sA1 MET 66 HE3 -0.22 0.02 -0.20 -0.04 2.10 1.66 2d7sA1 SER 67 H 0.02 0.18 0.18 -0.55 8.46 8.29 2d7sA1 SER 67 HA 0.01 0.16 0.56 -0.75 4.49 4.47 2d7sA1 SER 67 HB2 0.01 0.05 0.13 -0.04 3.95 4.10 2d7sA1 SER 67 HB3 0.02 0.16 0.17 -0.04 3.93 4.24 2d7sA1 ALA 68 H 0.01 0.23 0.20 -0.55 8.40 8.30 2d7sA1 ALA 68 HA 0.02 0.09 0.31 -0.75 4.34 4.02 2d7sA1 ALA 68 HB3 0.01 0.04 0.11 -0.04 1.41 1.53 2d7sA1 GLU 69 H 0.02 0.00 -0.51 -0.55 8.60 7.57 2d7sA1 GLU 69 HA 0.02 0.14 0.57 -0.75 4.29 4.27 2d7sA1 GLU 69 HB2 0.01 -0.04 0.07 -0.04 2.09 2.09 2d7sA1 GLU 69 HB3 -0.00 0.08 -0.01 -0.04 1.99 2.02 2d7sA1 GLU 69 HG2 0.00 0.07 -0.01 -0.04 2.34 2.37 2d7sA1 GLU 69 HG3 0.01 -0.08 -0.07 -0.04 2.34 2.16 2d7sA1 ASP 70 H 0.04 0.05 0.01 -0.55 8.40 7.95 2d7sA1 ASP 70 HA 0.06 0.09 0.37 -0.75 4.63 4.40 2d7sA1 ASP 70 HB2 0.09 -0.05 0.13 -0.04 2.71 2.83 2d7sA1 ASP 70 HB3 0.25 0.08 0.01 -0.04 2.70 3.00 2d7sA1 LYS 71 H 0.07 0.60 -0.39 -0.55 8.42 8.15 2d7sA1 LYS 71 HA 0.10 0.04 0.34 -0.75 4.32 4.04 2d7sA1 LYS 71 HB2 0.04 0.06 -0.02 -0.04 1.87 1.91 2d7sA1 LYS 71 HB3 0.06 0.03 -0.09 -0.04 1.79 1.74 2d7sA1 LYS 71 HG2 0.00 0.02 -0.07 -0.04 1.46 1.37 2d7sA1 LYS 71 HG3 -0.01 -0.06 -0.15 -0.04 1.46 1.20 2d7sA1 LYS 71 HD2 -0.01 -0.02 -0.11 -0.04 1.69 1.52 2d7sA1 LYS 71 HD3 0.01 0.00 -0.67 -0.04 1.68 0.98 2d7sA1 LYS 71 HE2 0.01 -0.02 -0.05 -0.04 2.99 2.89 2d7sA1 LYS 71 HE3 0.02 0.03 -0.02 -0.04 2.99 2.98 2d7sA1 ALA 72 H 0.07 0.46 -0.12 -0.55 8.40 8.26 2d7sA1 ALA 72 HA 0.08 -0.01 0.35 -0.75 4.34 4.00 2d7sA1 ALA 72 HB3 0.04 0.03 0.13 -0.04 1.41 1.58 2d7sA1 LEU 73 H 0.10 0.42 -0.46 -0.55 8.37 7.88 2d7sA1 LEU 73 HA 0.03 0.05 0.45 -0.75 4.35 4.12 2d7sA1 LEU 73 HB2 -0.05 -0.00 0.04 -0.04 1.64 1.58 2d7sA1 LEU 73 HB3 0.04 0.13 0.14 -0.04 1.64 1.91 2d7sA1 LEU 73 HG -0.20 -0.03 -0.23 -0.04 1.64 1.15 2d7sA1 LEU 73 HD13 -0.09 -0.02 0.00 -0.04 0.93 0.78 2d7sA1 LEU 73 HD23 -0.46 0.01 -0.06 -0.04 0.89 0.35 2d7sA1 PHE 74 H 0.40 0.56 -0.06 -0.55 8.34 8.68 2d7sA1 PHE 74 HA 0.31 0.02 0.44 -0.75 4.62 4.63 2d7sA1 PHE 74 HB2 0.16 0.10 0.14 -0.04 3.15 3.51 2d7sA1 PHE 74 HB3 0.07 0.10 0.17 -0.04 3.06 3.36 2d7sA1 PHE 74 HD2 -0.24 0.02 -0.12 -0.04 7.28 6.90 2d7sA1 PHE 74 HE2 0.02 0.06 -0.08 -0.04 7.38 7.34 2d7sA1 PHE 74 HZ -0.15 -0.00 -0.09 -0.04 7.32 7.04 2d7sA1 ARG 75 H 0.23 0.72 -0.04 -0.55 8.46 8.82 2d7sA1 ARG 75 HA 0.08 0.03 0.33 -0.75 4.34 4.03 2d7sA1 ARG 75 HB2 0.13 0.00 0.04 -0.04 1.90 2.03 2d7sA1 ARG 75 HB3 0.09 0.10 0.04 -0.04 1.80 1.99 2d7sA1 ARG 75 HG2 0.06 -0.00 -0.06 -0.04 1.67 1.63 2d7sA1 ARG 75 HG3 0.08 0.00 0.06 -0.04 1.67 1.78 2d7sA1 ARG 75 HD2 0.06 -0.00 -0.03 -0.04 3.22 3.21 2d7sA1 ARG 75 HD3 0.06 -0.01 -0.02 -0.04 3.22 3.21 2d7sA1 ARG 76 H 0.06 0.27 -0.74 -0.55 8.46 7.50 2d7sA1 ARG 76 HA 0.02 0.05 0.58 -0.75 4.34 4.24 2d7sA1 ARG 76 HB2 0.03 0.15 0.23 -0.04 1.90 2.26 2d7sA1 ARG 76 HB3 0.01 -0.02 -0.04 -0.04 1.80 1.70 2d7sA1 ARG 76 HG2 0.02 -0.05 0.04 -0.04 1.67 1.64 2d7sA1 ARG 76 HG3 0.02 0.04 0.02 -0.04 1.67 1.71 2d7sA1 ARG 76 HD2 -0.00 -0.02 -0.02 -0.04 3.22 3.15 2d7sA1 ARG 76 HD3 0.01 -0.04 -0.01 -0.04 3.22 3.13 2d7sA1 CYS 77 H -0.01 0.52 0.01 -0.55 8.50 8.47 2d7sA1 CYS 77 HA -0.02 0.02 0.45 -0.75 4.58 4.28 2d7sA1 CYS 77 HB2 -0.15 0.09 0.20 -0.04 2.97 3.06 2d7sA1 CYS 77 HB3 -0.07 -0.06 0.08 -0.04 2.97 2.88 2d7sA1 ALA 78 H -0.15 0.54 -0.26 -0.55 8.40 7.98 2d7sA1 ALA 78 HA -0.11 0.03 0.54 -0.75 4.34 4.04 2d7sA1 ALA 78 HB3 -0.15 0.02 0.01 -0.04 1.41 1.26 2d7sA1 ALA 79 H -0.00 0.49 -0.14 -0.55 8.40 8.20 2d7sA1 ALA 79 HA 0.05 0.07 0.34 -0.75 4.34 4.05 2d7sA1 ALA 79 HB3 0.05 0.02 0.15 -0.04 1.41 1.59 2d7sA1 ASP 80 H -0.00 0.19 -0.77 -0.55 8.40 7.27 2d7sA1 ASP 80 HA -0.01 0.10 0.67 -0.75 4.63 4.64 2d7sA1 ASP 80 HB2 0.01 0.09 0.14 -0.04 2.71 2.91 2d7sA1 ASP 80 HB3 0.01 -0.08 -0.01 -0.04 2.70 2.58 2d7sA1 TYR 81 H 0.08 0.46 -0.01 -0.55 8.29 8.26 2d7sA1 TYR 81 HA -0.08 0.05 0.49 -0.75 4.56 4.27 2d7sA1 TYR 81 HB2 -0.06 0.02 0.11 -0.04 3.06 3.08 2d7sA1 TYR 81 HB3 -0.11 0.04 0.24 -0.04 2.98 3.11 2d7sA1 TYR 81 HD2 -0.08 -0.02 -0.08 -0.04 7.15 6.94 2d7sA1 TYR 81 HE2 -0.02 0.05 -0.06 -0.04 6.85 6.78 2d7sA1 ALA 82 H -0.02 0.78 0.08 -0.55 8.40 8.70 2d7sA1 ALA 82 HA -0.55 -0.01 0.36 -0.75 4.34 3.39 2d7sA1 ALA 82 HB3 -0.24 -0.00 0.00 -0.04 1.41 1.13 2d7sA1 SER 83 H -0.18 0.10 -1.14 -0.55 8.46 6.70 2d7sA1 SER 83 HA -0.20 0.05 0.46 -0.75 4.49 4.05 2d7sA1 SER 83 HB2 -0.03 0.29 0.17 -0.04 3.95 4.34 2d7sA1 SER 83 HB3 -0.07 0.21 0.21 -0.04 3.93 4.24 2d7sA1 ARG 84 H -0.15 0.50 0.10 -0.55 8.46 8.35 2d7sA1 ARG 84 HA -0.10 -0.00 0.33 -0.75 4.34 3.81 2d7sA1 ARG 84 HB2 -0.08 -0.05 0.12 -0.04 1.90 1.84 2d7sA1 ARG 84 HB3 -0.09 0.05 0.19 -0.04 1.80 1.91 2d7sA1 ARG 84 HG2 -0.06 -0.07 0.01 -0.04 1.67 1.51 2d7sA1 ARG 84 HG3 -0.27 0.15 -0.13 -0.04 1.67 1.39 2d7sA1 ARG 84 HD2 -0.07 0.12 -0.15 -0.04 3.22 3.09 2d7sA1 ARG 84 HD3 -0.13 -0.02 -0.26 -0.04 3.22 2.78 2d7sA1 LEU 85 H -0.41 0.26 -0.88 -0.55 8.37 6.79 2d7sA1 LEU 85 HA -0.27 0.08 0.50 -0.75 4.35 3.90 2d7sA1 LEU 85 HB2 -0.82 0.15 0.01 -0.04 1.64 0.94 2d7sA1 LEU 85 HB3 -0.60 -0.03 0.16 -0.04 1.64 1.13 2d7sA1 LEU 85 HG -0.09 -0.03 -0.12 -0.04 1.64 1.37 2d7sA1 LEU 85 HD13 -0.35 -0.01 -0.01 -0.04 0.93 0.53 2d7sA1 LEU 85 HD23 0.01 -0.01 -0.04 -0.04 0.89 0.81 2d7sA1 HIS 86 H -0.49 0.46 0.10 -0.55 8.41 7.93 2d7sA1 HIS 86 HA -0.05 0.05 0.39 -0.75 4.63 4.27 2d7sA1 HIS 86 HB2 -0.28 0.08 0.13 -0.04 3.26 3.15 2d7sA1 HIS 86 HB3 -0.09 0.01 0.03 -0.04 3.20 3.10 2d7sA1 HIS 86 HD2 0.21 -0.07 0.00 -0.04 6.97 7.06 2d7sA1 HIS 86 HE1 -0.56 -0.01 -0.02 -0.04 7.75 7.11 2d7sA1 SER 87 H -0.07 0.56 -0.40 -0.55 8.46 8.01 2d7sA1 SER 87 HA 0.01 -0.02 0.35 -0.75 4.49 4.09 2d7sA1 SER 87 HB2 -0.03 0.06 0.02 -0.04 3.95 3.96 2d7sA1 SER 87 HB3 -0.05 0.05 -0.06 -0.04 3.93 3.82 2d7sA1 VAL 88 H -0.04 0.53 -0.56 -0.55 8.24 7.62 2d7sA1 VAL 88 HA -0.02 0.11 0.87 -0.75 4.13 4.34 2d7sA1 VAL 88 HB -0.06 0.21 0.08 -0.04 2.12 2.31 2d7sA1 VAL 88 HG13 -0.05 0.00 -0.11 -0.04 0.97 0.77 2d7sA1 VAL 88 HG23 -0.02 -0.04 0.06 -0.04 0.95 0.90 2d7sA1 LEU 89 H -0.00 0.16 0.06 -0.55 8.37 8.04 2d7sA1 LEU 89 HA -0.03 0.12 0.75 -0.75 4.35 4.44 2d7sA1 LEU 89 HB2 0.05 0.04 0.04 -0.04 1.64 1.73 2d7sA1 LEU 89 HB3 -0.05 -0.08 0.07 -0.04 1.64 1.55 2d7sA1 LEU 89 HG -0.05 0.13 -0.14 -0.04 1.64 1.53 2d7sA1 LEU 89 HD13 -0.13 -0.03 -0.14 -0.04 0.93 0.59 2d7sA1 LEU 89 HD23 -0.10 -0.02 -0.23 -0.04 0.89 0.49 2d7sA1 GLY 90 H 0.01 0.29 -0.11 -0.55 8.43 8.07 2d7sA1 GLY 90 HA2 0.01 0.03 0.31 -0.51 4.01 3.84 2d7sA1 GLY 90 HA3 -0.01 0.01 0.48 -0.51 4.01 3.98 2d7sA1 THR 91 H -0.01 0.11 0.12 -0.55 8.28 7.94 2d7sA1 THR 91 HA -0.09 0.26 0.81 -0.75 4.39 4.62 2d7sA1 THR 91 HB -0.01 0.37 0.17 -0.04 4.32 4.82 2d7sA1 THR 91 HG23 0.05 -0.02 -0.01 -0.04 1.22 1.20 2d7sA1 ALA 92 H -0.05 0.21 -0.46 -0.55 8.40 7.56 2d7sA1 ALA 92 HA -0.06 0.04 0.43 -0.75 4.34 3.99 2d7sA1 ALA 92 HB3 -0.04 0.03 0.13 -0.04 1.41 1.49 2d7sA1 ASN 93 H -0.22 0.37 -1.30 -0.55 8.53 6.83 2d7sA1 ASN 93 HA -0.15 0.07 0.44 -0.75 4.76 4.37 2d7sA1 ASN 93 HB2 -1.11 0.07 -0.11 -0.04 2.88 1.69 2d7sA1 ASN 93 HB3 -0.93 -0.12 0.06 -0.04 2.79 1.76 2d7sA1 ASN 93 HD21 -0.17 0.16 0.05 -0.04 7.03 7.03 2d7sA1 ASN 93 HD22 -0.44 0.10 0.02 -0.04 7.74 7.38 2d7sA1 ALA 94 H -0.11 0.05 -0.53 -0.55 8.40 7.26 2d7sA1 ALA 94 HA -0.08 0.30 0.46 -0.75 4.34 4.27 2d7sA1 ALA 94 HB3 -0.03 -0.03 0.10 -0.04 1.41 1.41 2d7sA1 PRO 95 HA 0.01 0.24 0.56 -0.51 4.44 4.74 2d7sA1 PRO 95 HB2 0.02 -0.08 0.02 -0.04 2.28 2.19 2d7sA1 PRO 95 HB3 -0.03 0.08 0.21 -0.04 2.02 2.24 2d7sA1 PRO 95 HG2 0.14 -0.04 0.09 -0.04 2.03 2.18 2d7sA1 PRO 95 HG3 0.12 0.01 0.14 -0.04 2.03 2.26 2d7sA1 PRO 95 HD2 0.03 0.03 0.18 -0.04 3.68 3.88 2d7sA1 PRO 95 HD3 0.03 0.25 0.24 -0.04 3.65 4.13 2d7sA1 LEU 96 H -0.04 0.53 0.32 -0.55 8.37 8.63 2d7sA1 LEU 96 HA -0.00 0.16 0.95 -0.75 4.35 4.71 2d7sA1 LEU 96 HB2 -0.02 0.09 0.13 -0.04 1.64 1.80 2d7sA1 LEU 96 HB3 -0.02 -0.04 -0.17 -0.04 1.64 1.38 2d7sA1 LEU 96 HG -0.01 -0.05 -0.07 -0.04 1.64 1.48 2d7sA1 LEU 96 HD13 0.01 0.04 -0.28 -0.04 0.93 0.66 2d7sA1 LEU 96 HD23 -0.01 0.00 -0.34 -0.04 0.89 0.50 2d7sA1 SER 97 H 0.02 0.14 0.12 -0.55 8.46 8.19 2d7sA1 SER 97 HA 0.02 0.11 0.47 -0.75 4.49 4.34 2d7sA1 SER 97 HB2 0.05 -0.02 0.08 -0.04 3.95 4.03 2d7sA1 SER 97 HB3 0.04 0.10 0.11 -0.04 3.93 4.14 2d7sA1 ILE 98 H 0.03 0.15 0.17 -0.55 8.25 8.05 2d7sA1 ILE 98 HA 0.01 0.10 0.28 -0.75 4.18 3.81 2d7sA1 ILE 98 HB 0.04 -0.05 0.14 -0.04 1.89 1.98 2d7sA1 ILE 98 HG12 0.03 -0.03 0.18 -0.04 1.49 1.63 2d7sA1 ILE 98 HG13 0.02 -0.01 0.08 -0.04 1.21 1.26 2d7sA1 ILE 98 HG23 0.00 0.02 -0.07 -0.04 0.93 0.84 2d7sA1 ILE 98 HD13 0.03 0.02 0.05 -0.04 0.88 0.93 2d7sA1 TYR 99 H 0.15 -0.01 -0.21 -0.55 8.29 7.67 2d7sA1 TYR 99 HA -0.04 0.37 0.44 -0.75 4.56 4.57 2d7sA1 TYR 99 HB2 -0.02 -0.02 0.09 -0.04 3.06 3.07 2d7sA1 TYR 99 HB3 -0.01 -0.11 0.05 -0.04 2.98 2.87 2d7sA1 TYR 99 HD2 -0.02 -0.01 0.05 -0.04 7.15 7.12 2d7sA1 TYR 99 HE2 -0.01 0.11 0.05 -0.04 6.85 6.96 2d7sA1 GLU 100 H 0.04 0.15 -0.16 -0.55 8.60 8.09 2d7sA1 GLU 100 HA -0.26 0.13 0.37 -0.75 4.29 3.78 2d7sA1 GLU 100 HB2 -0.01 0.05 0.05 -0.04 2.09 2.14 2d7sA1 GLU 100 HB3 -0.04 -0.00 -0.13 -0.04 1.99 1.77 2d7sA1 GLU 100 HG2 -0.02 0.06 -0.05 -0.04 2.34 2.29 2d7sA1 GLU 100 HG3 0.03 -0.04 -0.00 -0.04 2.34 2.29 2d7sA1 ALA 101 H -0.04 0.46 -0.33 -0.55 8.40 7.95 2d7sA1 ALA 101 HA -0.04 0.00 0.28 -0.75 4.34 3.83 2d7sA1 ALA 101 HB3 -0.03 0.02 -0.01 -0.04 1.41 1.35 2d7sA1 ILE 102 H -0.14 0.10 -1.11 -0.55 8.25 6.55 2d7sA1 ILE 102 HA -0.08 0.08 0.88 -0.75 4.18 4.31 2d7sA1 ILE 102 HB -0.13 0.13 0.03 -0.04 1.89 1.88 2d7sA1 ILE 102 HG12 -0.11 0.02 -0.55 -0.04 1.49 0.80 2d7sA1 ILE 102 HG13 -0.07 0.44 -0.27 -0.04 1.21 1.27 2d7sA1 ILE 102 HG23 -0.28 -0.03 -0.13 -0.04 0.93 0.45 2d7sA1 ILE 102 HD13 -0.11 -0.03 -0.59 -0.04 0.88 0.12 2d7sA1 LYS 103 H -0.28 0.43 0.27 -0.55 8.42 8.29 2d7sA1 LYS 103 HA -0.09 0.11 0.80 -0.75 4.32 4.39 2d7sA1 LYS 103 HB2 -0.66 0.01 0.11 -0.04 1.87 1.29 2d7sA1 LYS 103 HB3 -0.23 -0.01 0.17 -0.04 1.79 1.68 2d7sA1 LYS 103 HG2 -0.20 -0.04 -0.04 -0.04 1.46 1.14 2d7sA1 LYS 103 HG3 -0.23 -0.03 0.05 -0.04 1.46 1.20 2d7sA1 LYS 103 HD2 -0.03 -0.06 0.08 -0.04 1.69 1.64 2d7sA1 LYS 103 HD3 -0.01 0.04 -0.03 -0.04 1.68 1.63 2d7sA1 LYS 103 HE2 0.10 -0.08 0.05 -0.04 2.99 3.01 2d7sA1 LYS 103 HE3 0.05 -0.09 0.04 -0.04 2.99 2.95 2d7sA1 GLY 104 H -0.11 0.28 -0.04 -0.55 8.43 8.01 2d7sA1 GLY 104 HA2 -0.05 -0.05 0.23 -0.51 4.01 3.63 2d7sA1 GLY 104 HA3 -0.05 0.18 -0.00 -0.51 4.01 3.62 2d7sA1 VAL 105 H -0.03 0.10 0.03 -0.55 8.24 7.80 2d7sA1 VAL 105 HA -0.03 0.20 0.81 -0.75 4.13 4.35 2d7sA1 VAL 105 HB -0.01 -0.11 0.12 -0.04 2.12 2.08 2d7sA1 VAL 105 HG13 -0.02 -0.00 -0.18 -0.04 0.97 0.72 2d7sA1 VAL 105 HG23 0.00 0.01 -0.19 -0.04 0.95 0.73 2d7sA1 ASP 106 H -0.01 0.11 0.08 -0.55 8.40 8.04 2d7sA1 ASP 106 HA -0.01 0.05 0.40 -0.75 4.63 4.32 2d7sA1 ASP 106 HB2 -0.00 -0.02 0.15 -0.04 2.71 2.79 2d7sA1 ASP 106 HB3 -0.00 0.00 0.20 -0.04 2.70 2.87 2d7sA1 GLY 107 H -0.02 0.27 0.19 -0.55 8.43 8.32 2d7sA1 GLY 107 HA2 -0.02 -0.01 0.32 -0.51 4.01 3.80 2d7sA1 GLY 107 HA3 0.02 0.16 0.86 -0.51 4.01 4.54 2d7sA1 LEU 108 H 0.02 0.08 -0.12 -0.55 8.37 7.81 2d7sA1 LEU 108 HA -0.16 -0.07 0.33 -0.75 4.35 3.70 2d7sA1 LEU 108 HB2 0.07 0.03 0.06 -0.04 1.64 1.77 2d7sA1 LEU 108 HB3 0.00 -0.20 0.06 -0.04 1.64 1.47 2d7sA1 LEU 108 HG -0.00 0.39 -0.23 -0.04 1.64 1.76 2d7sA1 LEU 108 HD13 0.10 -0.04 -0.00 -0.04 0.93 0.95 2d7sA1 LEU 108 HD23 0.02 -0.04 -0.06 -0.04 0.89 0.77 2d7sA1 ASP 109 H -0.13 -0.04 0.16 -0.55 8.40 7.86 2d7sA1 ASP 109 HA -0.05 0.14 0.49 -0.75 4.63 4.45 2d7sA1 ASP 109 HB2 -0.05 -0.11 0.06 -0.04 2.71 2.57 2d7sA1 ASP 109 HB3 -0.03 0.09 0.03 -0.04 2.70 2.75 2d7sA1 ALA 110 H -0.02 0.07 0.08 -0.55 8.40 7.98 2d7sA1 ALA 110 HA -0.02 -0.01 0.06 -0.75 4.34 3.62 2d7sA1 ALA 110 HB3 0.00 0.07 0.09 -0.04 1.41 1.53 2d7sA1 MET 111 H 0.04 0.29 0.03 -0.55 8.47 8.28 2d7sA1 MET 111 HA 0.08 -0.07 0.26 -0.75 4.52 4.04 2d7sA1 MET 111 HB2 0.21 0.13 0.10 -0.04 2.15 2.54 2d7sA1 MET 111 HB3 0.37 -0.04 -0.04 -0.04 2.03 2.27 2d7sA1 MET 111 HG2 0.07 -0.10 0.02 -0.04 2.63 2.57 2d7sA1 MET 111 HG3 0.03 0.13 -0.00 -0.04 2.56 2.67 2d7sA1 MET 111 HE3 0.17 -0.03 0.00 -0.04 2.10 2.21 2d7sA1 GLU 112 H 0.07 0.03 0.10 -0.55 8.60 8.26 2d7sA1 GLU 112 HA -0.05 0.19 0.49 -0.75 4.29 4.16 2d7sA1 GLU 112 HB2 -0.01 -0.02 0.15 -0.04 2.09 2.17 2d7sA1 GLU 112 HB3 -0.10 -0.12 -0.07 -0.04 1.99 1.66 2d7sA1 GLU 112 HG2 -0.01 0.02 0.01 -0.04 2.34 2.32 2d7sA1 GLU 112 HG3 -0.04 -0.03 -0.01 -0.04 2.34 2.22 2d7sA1 PRO 113 HA -0.92 0.06 0.32 -0.51 4.44 3.39 2d7sA1 PRO 113 HB2 -0.20 -0.02 -0.01 -0.04 2.28 2.01 2d7sA1 PRO 113 HB3 -0.13 0.06 0.09 -0.04 2.02 2.00 2d7sA1 PRO 113 HG2 -0.14 -0.07 0.06 -0.04 2.03 1.84 2d7sA1 PRO 113 HG3 -0.08 0.07 0.07 -0.04 2.03 2.04 2d7sA1 PRO 113 HD2 -0.09 0.04 0.25 -0.04 3.68 3.83 2d7sA1 PRO 113 HD3 -0.07 0.31 0.22 -0.04 3.65 4.07 2d7sA1 ASP 114 H -0.27 0.13 -0.33 -0.55 8.40 7.37 2d7sA1 ASP 114 HA -0.30 0.02 0.48 -0.75 4.63 4.08 2d7sA1 ASP 114 HB2 -0.21 0.08 -0.43 -0.04 2.71 2.11 2d7sA1 ASP 114 HB3 -0.11 0.02 0.11 -0.04 2.70 2.68 2d7sA1 THR 115 H -0.10 0.32 0.00 -0.55 8.28 7.96 2d7sA1 THR 115 HA -0.05 0.09 0.75 -0.75 4.39 4.42 2d7sA1 THR 115 HB -0.08 0.06 -0.06 -0.04 4.32 4.20 2d7sA1 THR 115 HG23 -0.07 0.03 -0.05 -0.04 1.22 1.09 2d7sA1 ALA 116 H -0.02 0.12 0.09 -0.55 8.40 8.04 2d7sA1 ALA 116 HA 0.08 0.03 0.41 -0.75 4.34 4.11 2d7sA1 ALA 116 HB3 -0.12 0.02 0.02 -0.04 1.41 1.30 2d7sA1 PRO 117 HA 0.20 0.11 0.53 -0.51 4.44 4.77 2d7sA1 PRO 117 HB2 0.42 -0.01 -0.11 -0.04 2.28 2.54 2d7sA1 PRO 117 HB3 0.12 -0.07 -0.09 -0.04 2.02 1.94 2d7sA1 PRO 117 HG2 0.26 0.02 -0.06 -0.04 2.03 2.22 2d7sA1 PRO 117 HG3 0.18 0.47 0.06 -0.04 2.03 2.69 2d7sA1 PRO 117 HD2 0.14 0.07 0.17 -0.04 3.68 4.02 2d7sA1 PRO 117 HD3 0.09 -0.01 0.01 -0.04 3.65 3.71 2d7sA1 GLY 118 H 0.20 0.03 -0.25 -0.55 8.43 7.86 2d7sA1 GLY 118 HA2 0.14 0.07 0.20 -0.51 4.01 3.91 2d7sA1 GLY 118 HA3 0.11 0.19 0.43 -0.51 4.01 4.24 2d7sA1 LEU 119 H -0.06 0.29 0.22 -0.55 8.37 8.28 2d7sA1 LEU 119 HA -0.15 -0.07 0.83 -0.75 4.35 4.20 2d7sA1 LEU 119 HB2 -0.12 0.12 0.09 -0.04 1.64 1.70 2d7sA1 LEU 119 HB3 -0.13 0.03 0.06 -0.04 1.64 1.56 2d7sA1 LEU 119 HG -0.02 0.00 -0.08 -0.04 1.64 1.51 2d7sA1 LEU 119 HD13 -0.04 0.02 -0.16 -0.04 0.93 0.71 2d7sA1 LEU 119 HD23 -0.02 -0.01 -0.17 -0.04 0.89 0.65 2d7sA1 PRO 120 HA -0.19 0.00 0.36 -0.51 4.44 4.10 2d7sA1 PRO 120 HB2 -0.15 0.08 0.08 -0.04 2.28 2.25 2d7sA1 PRO 120 HB3 -0.20 0.07 0.07 -0.04 2.02 1.92 2d7sA1 PRO 120 HG2 -0.52 0.05 -0.03 -0.04 2.03 1.49 2d7sA1 PRO 120 HG3 -0.34 0.08 0.03 -0.04 2.03 1.76 2d7sA1 PRO 120 HD2 -2.47 0.05 0.17 -0.04 3.68 1.39 2d7sA1 PRO 120 HD3 -0.76 0.18 0.33 -0.04 3.65 3.36 2d7sA1 TRP 121 H -0.60 0.17 -0.37 -0.55 7.97 6.63 2d7sA1 TRP 121 HA 0.05 0.11 0.22 -0.75 4.62 4.24 2d7sA1 TRP 121 HB2 0.06 0.04 -0.25 -0.04 3.23 3.04 2d7sA1 TRP 121 HB3 0.05 0.09 -0.06 -0.04 3.23 3.27 2d7sA1 TRP 121 HD1 0.06 0.24 -0.22 -0.04 7.22 7.25 2d7sA1 TRP 121 HE1 0.06 -0.17 -0.04 -0.04 10.20 10.01 2d7sA1 TRP 121 HE3 0.05 0.06 -0.20 -0.04 7.59 7.46 2d7sA1 TRP 121 HZ2 0.05 -0.04 -0.06 -0.04 7.44 7.35 2d7sA1 TRP 121 HZ3 0.04 0.02 -0.08 -0.04 7.13 7.08 2d7sA1 TRP 121 HH2 0.05 -0.00 -0.06 -0.04 7.19 7.14 2d7sA1 ALA 122 H 0.10 0.12 -0.28 -0.55 8.40 7.79 2d7sA1 ALA 122 HA 0.14 0.12 0.93 -0.75 4.34 4.78 2d7sA1 ALA 122 HB3 0.07 0.01 0.04 -0.04 1.41 1.49 2d7sA1 LEU 123 H 0.03 0.10 -0.10 -0.55 8.37 7.86 2d7sA1 LEU 123 HA 0.04 0.10 0.52 -0.75 4.35 4.26 2d7sA1 LEU 123 HB2 0.00 0.09 0.11 -0.04 1.64 1.80 2d7sA1 LEU 123 HB3 0.01 0.01 0.17 -0.04 1.64 1.79 2d7sA1 LEU 123 HG -0.02 -0.16 0.04 -0.04 1.64 1.46 2d7sA1 LEU 123 HD13 -0.05 0.01 0.03 -0.04 0.93 0.87 2d7sA1 LEU 123 HD23 -0.02 0.02 -0.06 -0.04 0.89 0.79 2d7sA1 GLN 124 H 0.10 -0.34 -1.64 -0.55 8.47 6.04 2d7sA1 GLN 124 HA 0.08 0.11 0.60 -0.75 4.36 4.40 2d7sA1 GLN 124 HB2 0.13 0.13 -0.33 -0.04 2.15 2.04 2d7sA1 GLN 124 HB3 0.22 0.04 -0.24 -0.04 2.02 2.00 2d7sA1 GLN 124 HG2 0.14 0.03 -0.01 -0.04 2.40 2.52 2d7sA1 GLN 124 HG3 0.11 -0.01 0.05 -0.04 2.39 2.50 2d7sA1 GLN 124 HE21 0.27 -0.08 -0.05 -0.04 6.97 7.07 2d7sA1 GLN 124 HE22 0.15 0.02 -0.02 -0.04 7.69 7.79 2d7sA1 GLY 125 H 0.11 -0.12 -0.06 -0.55 8.43 7.82 2d7sA1 GLY 125 HA2 0.10 -0.06 0.50 -0.51 4.01 4.04 2d7sA1 GLY 125 HA3 0.08 0.02 0.35 -0.51 4.01 3.96 2d7sA1 LYS 126 H 0.11 0.15 0.21 -0.55 8.42 8.34 2d7sA1 LYS 126 HA 0.06 -0.06 0.39 -0.75 4.32 3.95 2d7sA1 LYS 126 HB2 0.02 -0.03 0.10 -0.04 1.87 1.91 2d7sA1 LYS 126 HB3 0.05 0.21 0.43 -0.04 1.79 2.43 2d7sA1 LYS 126 HG2 0.13 -0.02 -0.83 -0.04 1.46 0.69 2d7sA1 LYS 126 HG3 0.09 -0.06 -0.18 -0.04 1.46 1.26 2d7sA1 LYS 126 HD2 -0.00 0.06 -0.01 -0.04 1.69 1.70 2d7sA1 LYS 126 HD3 0.05 0.07 -0.01 -0.04 1.68 1.75 2d7sA1 LYS 126 HE2 0.17 0.04 -0.15 -0.04 2.99 3.00 2d7sA1 LYS 126 HE3 0.12 -0.11 -0.08 -0.04 2.99 2.88 2d7sA1 ARG 127 H 0.03 0.11 0.13 -0.55 8.46 8.19 2d7sA1 ARG 127 HA 0.05 0.15 0.52 -0.75 4.34 4.30 2d7sA1 ARG 127 HB2 0.01 -0.03 0.08 -0.04 1.90 1.92 2d7sA1 ARG 127 HB3 0.00 -0.13 0.19 -0.04 1.80 1.82 2d7sA1 ARG 127 HG2 0.03 -0.01 0.03 -0.04 1.67 1.68 2d7sA1 ARG 127 HG3 0.01 0.07 0.05 -0.04 1.67 1.76 2d7sA1 ARG 127 HD2 -0.01 0.01 0.02 -0.04 3.22 3.21 2d7sA1 ARG 127 HD3 0.02 -0.02 -0.01 -0.04 3.22 3.17 2d7sA1 ARG 128 H 0.01 0.14 0.15 -0.55 8.46 8.21 2d7sA1 ARG 128 HA 0.00 0.13 0.49 -0.75 4.34 4.21 2d7sA1 ARG 128 HB2 -0.02 -0.05 0.18 -0.04 1.90 1.97 2d7sA1 ARG 128 HB3 0.45 0.13 0.00 -0.04 1.80 2.34 2d7sA1 ARG 128 HG2 0.17 0.03 0.02 -0.04 1.67 1.85 2d7sA1 ARG 128 HG3 0.09 -0.07 -0.03 -0.04 1.67 1.62 2d7sA1 ARG 128 HD2 0.07 0.34 -0.28 -0.04 3.22 3.31 2d7sA1 ARG 128 HD3 -0.02 -0.31 -0.12 -0.04 3.22 2.74 2d7sA1 GLY 129 H 0.03 0.05 0.09 -0.55 8.43 8.04 2d7sA1 GLY 129 HA2 0.23 0.33 0.65 -0.51 4.01 4.72 2d7sA1 GLY 129 HA3 0.07 0.02 0.37 -0.51 4.01 3.96 2d7sA1 ALA 130 H 0.01 -0.07 -0.89 -0.55 8.40 6.91 2d7sA1 ALA 130 HA -0.01 0.13 0.49 -0.75 4.34 4.20 2d7sA1 ALA 130 HB3 -0.01 0.04 0.09 -0.04 1.41 1.50 2d7sA1 LEU 131 H -0.04 0.23 -0.83 -0.55 8.37 7.19 2d7sA1 LEU 131 HA -0.16 0.03 0.58 -0.75 4.35 4.04 2d7sA1 LEU 131 HB2 -0.26 0.07 -0.05 -0.04 1.64 1.36 2d7sA1 LEU 131 HB3 -0.36 -0.11 -0.13 -0.04 1.64 1.00 2d7sA1 LEU 131 HG -0.38 -0.05 0.10 -0.04 1.64 1.26 2d7sA1 LEU 131 HD13 -0.27 0.10 -0.27 -0.04 0.93 0.45 2d7sA1 LEU 131 HD23 -1.48 -0.05 -0.10 -0.04 0.89 -0.78 2d7sA1 ILE 132 H -0.03 0.85 0.28 -0.55 8.25 8.79 2d7sA1 ILE 132 HA -0.12 0.37 0.90 -0.75 4.18 4.58 2d7sA1 ILE 132 HB -0.21 0.00 0.01 -0.04 1.89 1.65 2d7sA1 ILE 132 HG12 -0.15 -0.06 -0.21 -0.04 1.49 1.03 2d7sA1 ILE 132 HG13 -0.16 -0.11 -0.28 -0.04 1.21 0.62 2d7sA1 ILE 132 HG23 -0.43 0.05 -0.31 -0.04 0.93 0.21 2d7sA1 ILE 132 HD13 -0.15 0.00 -0.14 -0.04 0.88 0.55 2d7sA1 ASP 133 H -0.08 0.49 0.24 -0.55 8.40 8.50 2d7sA1 ASP 133 HA 0.03 0.13 0.76 -0.75 4.63 4.80 2d7sA1 ASP 133 HB2 -0.03 0.11 0.26 -0.04 2.71 3.01 2d7sA1 ASP 133 HB3 -0.00 -0.22 0.21 -0.04 2.70 2.65 2d7sA1 PHE 134 H 0.25 0.31 0.19 -0.55 8.34 8.54 2d7sA1 PHE 134 HA -0.00 0.11 0.29 -0.75 4.62 4.26 2d7sA1 PHE 134 HB2 -0.01 -0.06 0.17 -0.04 3.15 3.20 2d7sA1 PHE 134 HB3 -0.01 0.04 -0.06 -0.04 3.06 2.99 2d7sA1 PHE 134 HD2 -0.02 0.05 -0.11 -0.04 7.28 7.15 2d7sA1 PHE 134 HE2 -0.02 -0.14 -0.29 -0.04 7.38 6.89 2d7sA1 PHE 134 HZ -0.01 -0.08 -0.10 -0.04 7.32 7.09 2d7sA1 GLU 135 H 0.12 0.00 -0.12 -0.55 8.60 8.05 2d7sA1 GLU 135 HA 0.08 0.12 0.40 -0.75 4.29 4.14 2d7sA1 GLU 135 HB2 0.06 -0.07 0.11 -0.04 2.09 2.15 2d7sA1 GLU 135 HB3 0.04 -0.00 -0.04 -0.04 1.99 1.95 2d7sA1 GLU 135 HG2 0.04 -0.01 0.03 -0.04 2.34 2.37 2d7sA1 GLU 135 HG3 0.03 -0.03 0.00 -0.04 2.34 2.31 2d7sA1 ASN 136 H 0.04 -0.08 -0.35 -0.55 8.53 7.59 2d7sA1 ASN 136 HA 0.04 0.07 0.43 -0.75 4.76 4.55 2d7sA1 ASN 136 HB2 0.00 0.05 0.26 -0.04 2.88 3.14 2d7sA1 ASN 136 HB3 0.01 -0.02 0.04 -0.04 2.79 2.78 2d7sA1 ASN 136 HD21 0.00 0.00 0.01 -0.04 7.03 7.00 2d7sA1 ASN 136 HD22 -0.01 -0.01 0.02 -0.04 7.74 7.70 2d7sA1 GLY 137 H -0.00 0.13 0.20 -0.55 8.43 8.21 2d7sA1 GLY 137 HA2 0.03 0.10 0.19 -0.51 4.01 3.82 2d7sA1 GLY 137 HA3 0.30 0.16 0.80 -0.51 4.01 4.75 2d7sA1 THR 138 H -0.03 0.06 0.22 -0.55 8.28 7.98 2d7sA1 THR 138 HA -0.02 0.19 0.77 -0.75 4.39 4.57 2d7sA1 THR 138 HB -0.02 -0.06 0.03 -0.04 4.32 4.23 2d7sA1 THR 138 HG23 0.01 0.02 -0.12 -0.04 1.22 1.08 2d7sA1 VAL 139 H -0.04 0.07 0.08 -0.55 8.24 7.81 2d7sA1 VAL 139 HA -0.09 0.10 0.29 -0.75 4.13 3.68 2d7sA1 VAL 139 HB -0.05 -0.38 0.27 -0.04 2.12 1.92 2d7sA1 VAL 139 HG13 -0.03 0.03 -0.02 -0.04 0.97 0.91 2d7sA1 VAL 139 HG23 -0.02 0.02 0.04 -0.04 0.95 0.95 2d7sA1 GLY 140 H -0.05 0.09 0.24 -0.55 8.43 8.16 2d7sA1 GLY 140 HA2 -0.05 0.08 0.39 -0.51 4.01 3.92 2d7sA1 GLY 140 HA3 -0.09 0.59 0.58 -0.51 4.01 4.59 2d7sA1 PRO 141 HA -0.02 0.08 0.40 -0.51 4.44 4.40 2d7sA1 PRO 141 HB2 -0.02 0.01 0.17 -0.04 2.28 2.39 2d7sA1 PRO 141 HB3 -0.02 0.08 0.15 -0.04 2.02 2.20 2d7sA1 PRO 141 HG2 -0.10 -0.02 0.14 -0.04 2.03 2.01 2d7sA1 PRO 141 HG3 -0.05 0.14 0.12 -0.04 2.03 2.20 2d7sA1 PRO 141 HD2 -0.07 0.32 0.29 -0.04 3.68 4.17 2d7sA1 PRO 141 HD3 -0.04 0.14 0.21 -0.04 3.65 3.92 2d7sA1 GLU 142 H -0.07 0.22 0.07 -0.55 8.60 8.27 2d7sA1 GLU 142 HA 0.06 0.13 0.58 -0.75 4.29 4.30 2d7sA1 GLU 142 HB2 -0.08 0.04 -0.00 -0.04 2.09 2.01 2d7sA1 GLU 142 HB3 0.31 0.01 0.12 -0.04 1.99 2.38 2d7sA1 GLU 142 HG2 0.27 0.06 0.02 -0.04 2.34 2.65 2d7sA1 GLU 142 HG3 0.10 0.01 0.02 -0.04 2.34 2.43 2d7sA1 VAL 143 H -0.10 0.13 -0.53 -0.55 8.24 7.19 2d7sA1 VAL 143 HA -0.02 0.06 0.35 -0.75 4.13 3.77 2d7sA1 VAL 143 HB -0.08 -0.14 0.12 -0.04 2.12 1.98 2d7sA1 VAL 143 HG13 -0.06 0.01 -0.14 -0.04 0.97 0.74 2d7sA1 VAL 143 HG23 -0.21 0.03 -0.25 -0.04 0.95 0.48 2d7sA1 GLU 144 H -0.03 0.58 0.10 -0.55 8.60 8.71 2d7sA1 GLU 144 HA -0.01 0.06 0.48 -0.75 4.29 4.07 2d7sA1 GLU 144 HB2 -0.00 0.06 -0.02 -0.04 2.09 2.08 2d7sA1 GLU 144 HB3 -0.01 -0.02 0.13 -0.04 1.99 2.05 2d7sA1 GLU 144 HG2 -0.02 -0.05 0.04 -0.04 2.34 2.27 2d7sA1 GLU 144 HG3 -0.03 0.09 0.27 -0.04 2.34 2.63 2d7sA1 ALA 145 H 0.01 0.20 -0.50 -0.55 8.40 7.57 2d7sA1 ALA 145 HA 0.02 0.08 0.46 -0.75 4.34 4.14 2d7sA1 ALA 145 HB3 0.05 0.06 0.13 -0.04 1.41 1.62 2d7sA1 ALA 146 H 0.06 0.67 0.09 -0.55 8.40 8.68 2d7sA1 ALA 146 HA 0.00 0.01 0.38 -0.75 4.34 3.97 2d7sA1 ALA 146 HB3 -0.01 0.03 0.11 -0.04 1.41 1.50 2d7sA1 LEU 147 H -0.03 0.47 -0.43 -0.55 8.37 7.83 2d7sA1 LEU 147 HA -0.10 0.01 0.36 -0.75 4.35 3.86 2d7sA1 LEU 147 HB2 -0.01 -0.00 0.11 -0.04 1.64 1.70 2d7sA1 LEU 147 HB3 -0.01 0.03 0.22 -0.04 1.64 1.84 2d7sA1 LEU 147 HG 0.02 -0.08 0.03 -0.04 1.64 1.57 2d7sA1 LEU 147 HD13 0.00 0.01 -0.14 -0.04 0.93 0.77 2d7sA1 LEU 147 HD23 0.07 -0.02 0.05 -0.04 0.89 0.96 2d7sA1 LYS 148 H -0.03 0.52 -0.22 -0.55 8.42 8.14 2d7sA1 LYS 148 HA -0.05 0.06 0.72 -0.75 4.32 4.30 2d7sA1 LYS 148 HB2 -0.01 0.16 0.22 -0.04 1.87 2.20 2d7sA1 LYS 148 HB3 -0.01 0.00 0.05 -0.04 1.79 1.80 2d7sA1 LYS 148 HG2 -0.02 -0.03 0.06 -0.04 1.46 1.43 2d7sA1 LYS 148 HG3 -0.01 -0.01 0.06 -0.04 1.46 1.46 2d7sA1 LYS 148 HD2 -0.00 -0.01 0.01 -0.04 1.69 1.65 2d7sA1 LYS 148 HD3 -0.00 0.01 0.02 -0.04 1.68 1.67 2d7sA1 LYS 148 HE2 -0.00 0.00 -0.02 -0.04 2.99 2.93 2d7sA1 LYS 148 HE3 -0.01 -0.00 -0.01 -0.04 2.99 2.93 2d7sA1 LEU 149 H -0.01 0.59 0.08 -0.55 8.37 8.48 2d7sA1 LEU 149 HA 0.01 0.05 0.38 -0.75 4.35 4.04 2d7sA1 LEU 149 HB2 0.17 -0.01 -0.09 -0.04 1.64 1.66 2d7sA1 LEU 149 HB3 0.10 0.01 0.04 -0.04 1.64 1.75 2d7sA1 LEU 149 HG 0.03 0.04 0.10 -0.04 1.64 1.77 2d7sA1 LEU 149 HD13 0.19 -0.01 -0.03 -0.04 0.93 1.05 2d7sA1 LEU 149 HD23 0.05 -0.03 -0.08 -0.04 0.89 0.78 2d7sA1 MET 150 H -0.09 0.46 -0.48 -0.55 8.47 7.81 2d7sA1 MET 150 HA 0.19 0.01 0.56 -0.75 4.52 4.52 2d7sA1 MET 150 HB2 -0.32 0.16 0.13 -0.04 2.15 2.08 2d7sA1 MET 150 HB3 -0.50 -0.00 -0.06 -0.04 2.03 1.43 2d7sA1 MET 150 HG2 0.27 -0.03 -0.05 -0.04 2.63 2.78 2d7sA1 MET 150 HG3 -0.52 0.09 -0.05 -0.04 2.56 2.05 2d7sA1 MET 150 HE3 -0.19 -0.03 -0.30 -0.04 2.10 1.54 2d7sA1 GLU 151 H -0.17 0.37 0.02 -0.55 8.60 8.27 2d7sA1 GLU 151 HA -0.15 0.01 0.41 -0.75 4.29 3.81 2d7sA1 GLU 151 HB2 -0.06 0.02 0.29 -0.04 2.09 2.30 2d7sA1 GLU 151 HB3 -0.02 -0.05 0.09 -0.04 1.99 1.97 2d7sA1 GLU 151 HG2 0.05 -0.07 0.10 -0.04 2.34 2.39 2d7sA1 GLU 151 HG3 -0.08 0.65 0.28 -0.04 2.34 3.15 2d7sA1 LYS 152 H -0.10 0.59 -0.25 -0.55 8.42 8.11 2d7sA1 LYS 152 HA -0.10 0.10 0.57 -0.75 4.32 4.13 2d7sA1 LYS 152 HB2 -0.06 -0.03 0.06 -0.04 1.87 1.80 2d7sA1 LYS 152 HB3 -0.07 -0.02 0.10 -0.04 1.79 1.77 2d7sA1 LYS 152 HG2 -0.04 -0.01 -0.00 -0.04 1.46 1.36 2d7sA1 LYS 152 HG3 -0.04 0.07 0.02 -0.04 1.46 1.47 2d7sA1 LYS 152 HD2 -0.02 -0.05 -0.04 -0.04 1.69 1.55 2d7sA1 LYS 152 HD3 -0.02 -0.02 -0.04 -0.04 1.68 1.56 2d7sA1 LYS 152 HE2 -0.01 -0.03 -0.01 -0.04 2.99 2.90 2d7sA1 LYS 152 HE3 -0.03 0.03 0.01 -0.04 2.99 2.96 2d7sA1 ARG 153 H -0.33 0.34 -0.54 -0.55 8.46 7.39 2d7sA1 ARG 153 HA -1.21 0.05 0.31 -0.75 4.34 2.74 2d7sA1 ARG 153 HB2 -0.32 0.41 0.50 -0.04 1.90 2.44 2d7sA1 ARG 153 HB3 -0.58 -0.07 0.23 -0.04 1.80 1.34 2d7sA1 ARG 153 HG2 -0.67 0.07 -0.21 -0.04 1.67 0.83 2d7sA1 ARG 153 HG3 -0.37 -0.02 -0.10 -0.04 1.67 1.13 2d7sA1 ARG 153 HD2 -0.80 -0.02 0.03 -0.04 3.22 2.39 2d7sA1 ARG 153 HD3 -2.59 -0.01 0.03 -0.04 3.22 0.60 2d7sA1 GLU 154 H -0.07 0.29 -0.00 -0.55 8.60 8.27 2d7sA1 GLU 154 HA 0.03 0.11 0.53 -0.75 4.29 4.20 2d7sA1 GLU 154 HB2 0.06 -0.09 0.06 -0.04 2.09 2.09 2d7sA1 GLU 154 HB3 0.03 -0.05 0.05 -0.04 1.99 1.98 2d7sA1 GLU 154 HG2 -0.04 -0.02 -0.07 -0.04 2.34 2.16 2d7sA1 GLU 154 HG3 -0.00 -0.08 0.01 -0.04 2.34 2.23 2d7sA1 TYR 155 H 0.27 0.36 -0.17 -0.55 8.29 8.20 2d7sA1 TYR 155 HA 0.11 -0.05 0.25 -0.75 4.56 4.12 2d7sA1 TYR 155 HB2 0.17 -0.07 -0.29 -0.04 3.06 2.83 2d7sA1 TYR 155 HB3 0.48 0.03 -0.09 -0.04 2.98 3.36 2d7sA1 TYR 155 HD2 0.21 0.01 -0.07 -0.04 7.15 7.25 2d7sA1 TYR 155 HE2 0.17 -0.03 -0.04 -0.04 6.85 6.91 2d7sA1 LYS 156 H -0.48 0.22 0.20 -0.55 8.42 7.81 2d7sA1 LYS 156 HA -0.52 0.11 0.60 -0.75 4.32 3.76 2d7sA1 LYS 156 HB2 -0.17 -0.06 0.02 -0.04 1.87 1.62 2d7sA1 LYS 156 HB3 -0.29 0.02 0.03 -0.04 1.79 1.51 2d7sA1 LYS 156 HG2 -0.03 0.30 -0.36 -0.04 1.46 1.33 2d7sA1 LYS 156 HG3 -0.09 -0.07 -0.02 -0.04 1.46 1.23 2d7sA1 LYS 156 HD2 -0.24 -0.05 0.08 -0.04 1.69 1.44 2d7sA1 LYS 156 HD3 -0.34 -0.06 0.24 -0.04 1.68 1.49 2d7sA1 LYS 156 HE2 -0.07 -0.05 0.05 -0.04 2.99 2.87 2d7sA1 LYS 156 HE3 0.12 0.20 0.05 -0.04 2.99 3.32 2d7sA1 PHE 157 H -1.17 0.23 0.13 -0.55 8.34 6.98 2d7sA1 PHE 157 HA -0.32 0.20 0.93 -0.75 4.62 4.67 2d7sA1 PHE 157 HB2 -0.19 -0.12 0.25 -0.04 3.15 3.05 2d7sA1 PHE 157 HB3 -0.45 -0.01 -0.11 -0.04 3.06 2.45 2d7sA1 PHE 157 HD2 -0.37 -0.05 -0.28 -0.04 7.28 6.54 2d7sA1 PHE 157 HE2 -0.42 0.01 -0.11 -0.04 7.38 6.83 2d7sA1 PHE 157 HZ -0.40 0.14 -0.23 -0.04 7.32 6.78 2d7sA1 ALA 158 H 0.17 0.25 0.23 -0.55 8.40 8.50 2d7sA1 ALA 158 HA -0.06 0.15 0.80 -0.75 4.34 4.48 2d7sA1 ALA 158 HB3 -0.07 0.01 -0.07 -0.04 1.41 1.23 2d7sA1 CYS 159 H -0.13 1.02 0.40 -0.55 8.50 9.25 2d7sA1 CYS 159 HA -0.03 0.03 0.77 -0.75 4.58 4.60 2d7sA1 CYS 159 HB2 -0.63 0.04 0.02 -0.04 2.97 2.35 2d7sA1 CYS 159 HB3 -0.08 0.02 -0.13 -0.04 2.97 2.74 2d7sA1 GLN 160 H 0.05 0.36 0.17 -0.55 8.47 8.50 2d7sA1 GLN 160 HA 0.06 0.07 0.60 -0.75 4.36 4.34 2d7sA1 GLN 160 HB2 0.08 -0.15 0.10 -0.04 2.15 2.14 2d7sA1 GLN 160 HB3 0.17 0.31 0.22 -0.04 2.02 2.68 2d7sA1 GLN 160 HG2 0.33 -0.02 -0.20 -0.04 2.40 2.47 2d7sA1 GLN 160 HG3 0.06 -0.02 0.12 -0.04 2.39 2.50 2d7sA1 GLN 160 HE21 -0.02 -0.03 -0.04 -0.04 6.97 6.83 2d7sA1 GLN 160 HE22 -0.24 0.09 -0.06 -0.04 7.69 7.44 2d7sA1 THR 161 H 0.12 0.31 0.19 -0.55 8.28 8.35 2d7sA1 THR 161 HA 0.25 0.16 0.96 -0.75 4.39 5.00 2d7sA1 THR 161 HB 0.28 0.05 -0.04 -0.04 4.32 4.57 2d7sA1 THR 161 HG23 0.23 -0.00 -0.25 -0.04 1.22 1.16 2d7sA1 PHE 162 H 0.34 0.49 0.11 -0.55 8.34 8.73 2d7sA1 PHE 162 HA 0.10 0.19 0.91 -0.75 4.62 5.07 2d7sA1 PHE 162 HB2 0.07 0.20 0.16 -0.04 3.15 3.54 2d7sA1 PHE 162 HB3 0.06 0.06 0.03 -0.04 3.06 3.16 2d7sA1 PHE 162 HD2 0.05 0.01 -0.01 -0.04 7.28 7.29 2d7sA1 PHE 162 HE2 0.03 -0.03 0.01 -0.04 7.38 7.35 2d7sA1 PHE 162 HZ 0.02 -0.05 0.03 -0.04 7.32 7.29 2d7sA1 LEU 163 H 0.24 0.21 0.21 -0.55 8.37 8.48 2d7sA1 LEU 163 HA 0.09 0.23 0.84 -0.75 4.35 4.76 2d7sA1 LEU 163 HB2 0.09 -0.00 0.08 -0.04 1.64 1.76 2d7sA1 LEU 163 HB3 0.06 0.06 -0.07 -0.04 1.64 1.66 2d7sA1 LEU 163 HG 0.11 -0.07 -0.16 -0.04 1.64 1.48 2d7sA1 LEU 163 HD13 0.10 0.02 -0.03 -0.04 0.93 0.98 2d7sA1 LEU 163 HD23 0.08 0.04 -0.17 -0.04 0.89 0.80 2d7sA1 LYS 164 H 0.06 0.73 0.17 -0.55 8.42 8.82 2d7sA1 LYS 164 HA 0.07 0.05 0.52 -0.75 4.32 4.21 2d7sA1 LYS 164 HB2 0.05 0.18 -0.07 -0.04 1.87 1.99 2d7sA1 LYS 164 HB3 0.03 -0.11 0.17 -0.04 1.79 1.84 2d7sA1 LYS 164 HG2 0.03 -0.02 -0.11 -0.04 1.46 1.32 2d7sA1 LYS 164 HG3 0.03 -0.00 -0.25 -0.04 1.46 1.20 2d7sA1 LYS 164 HD2 0.04 0.01 -0.13 -0.04 1.69 1.56 2d7sA1 LYS 164 HD3 0.05 0.01 -0.27 -0.04 1.68 1.43 2d7sA1 LYS 164 HE2 0.03 -0.00 -0.13 -0.04 2.99 2.85 2d7sA1 LYS 164 HE3 0.04 -0.01 -0.13 -0.04 2.99 2.85 2d7sA1 ASP 165 H 0.07 0.25 0.15 -0.55 8.40 8.32 2d7sA1 ASP 165 HA 0.02 0.08 0.51 -0.75 4.63 4.48 2d7sA1 ASP 165 HB2 0.06 0.09 0.11 -0.04 2.71 2.93 2d7sA1 ASP 165 HB3 0.05 0.00 0.25 -0.04 2.70 2.96 2d7sA1 GLU 166 H 0.00 0.36 0.27 -0.55 8.60 8.69 2d7sA1 GLU 166 HA 0.00 0.13 0.70 -0.75 4.29 4.36 2d7sA1 GLU 166 HB2 0.01 -0.01 0.05 -0.04 2.09 2.09 2d7sA1 GLU 166 HB3 0.02 -0.03 -0.39 -0.04 1.99 1.55 2d7sA1 GLU 166 HG2 0.01 0.02 -0.11 -0.04 2.34 2.22 2d7sA1 GLU 166 HG3 0.02 0.22 -0.40 -0.04 2.34 2.14 2d7sA1 ILE 167 H 0.00 0.15 0.08 -0.55 8.25 7.92 2d7sA1 ILE 167 HA -0.06 0.08 0.29 -0.75 4.18 3.73 2d7sA1 ILE 167 HB 0.02 -0.01 -0.02 -0.04 1.89 1.84 2d7sA1 ILE 167 HG12 -0.08 -0.02 -0.19 -0.04 1.49 1.16 2d7sA1 ILE 167 HG13 0.02 -0.09 -0.07 -0.04 1.21 1.02 2d7sA1 ILE 167 HG23 0.14 0.00 -0.29 -0.04 0.93 0.74 2d7sA1 ILE 167 HD13 0.21 0.06 -0.06 -0.04 0.88 1.05 2d7sA1 ARG 168 H 0.06 0.56 0.19 -0.55 8.46 8.72 2d7sA1 ARG 168 HA 0.17 0.16 0.69 -0.75 4.34 4.61 2d7sA1 ARG 168 HB2 0.02 0.05 -0.17 -0.04 1.90 1.76 2d7sA1 ARG 168 HB3 0.03 -0.01 -0.03 -0.04 1.80 1.75 2d7sA1 ARG 168 HG2 0.04 0.18 -0.27 -0.04 1.67 1.58 2d7sA1 ARG 168 HG3 0.01 -0.01 -0.36 -0.04 1.67 1.27 2d7sA1 ARG 168 HD2 0.01 -0.06 -0.06 -0.04 3.22 3.07 2d7sA1 ARG 168 HD3 0.00 -0.01 -0.20 -0.04 3.22 2.98 2d7sA1 PRO 169 HA -0.85 0.24 0.69 -0.51 4.44 4.02 2d7sA1 PRO 169 HB2 -0.27 -0.06 0.12 -0.04 2.28 2.03 2d7sA1 PRO 169 HB3 -0.40 0.07 0.15 -0.04 2.02 1.80 2d7sA1 PRO 169 HG2 -0.06 -0.18 0.19 -0.04 2.03 1.94 2d7sA1 PRO 169 HG3 -0.02 0.11 0.12 -0.04 2.03 2.20 2d7sA1 PRO 169 HD2 0.06 0.14 0.20 -0.04 3.68 4.04 2d7sA1 PRO 169 HD3 0.20 0.17 0.15 -0.04 3.65 4.13 2d7sA1 MET 170 H -0.28 0.80 0.16 -0.55 8.47 8.59 2d7sA1 MET 170 HA -0.05 0.05 0.18 -0.75 4.52 3.95 2d7sA1 MET 170 HB2 -0.11 0.01 0.02 -0.04 2.15 2.03 2d7sA1 MET 170 HB3 -0.05 0.02 -0.08 -0.04 2.03 1.88 2d7sA1 MET 170 HG2 -0.01 -0.08 -0.59 -0.04 2.63 1.92 2d7sA1 MET 170 HG3 0.01 0.06 -0.08 -0.04 2.56 2.51 2d7sA1 MET 170 HE3 0.01 -0.01 -0.05 -0.04 2.10 2.01 2d7sA1 GLU 171 H -0.13 0.06 -0.48 -0.55 8.60 7.50 2d7sA1 GLU 171 HA -0.05 0.11 0.46 -0.75 4.29 4.05 2d7sA1 GLU 171 HB2 -0.07 0.02 0.08 -0.04 2.09 2.08 2d7sA1 GLU 171 HB3 -0.08 -0.07 0.12 -0.04 1.99 1.92 2d7sA1 GLU 171 HG2 -0.04 0.01 -0.15 -0.04 2.34 2.12 2d7sA1 GLU 171 HG3 -0.04 0.01 -0.04 -0.04 2.34 2.23 2d7sA1 LYS 172 H -0.06 0.14 0.03 -0.55 8.42 7.97 2d7sA1 LYS 172 HA -0.03 0.05 0.33 -0.75 4.32 3.91 2d7sA1 VAL 173 H -0.04 0.41 -0.68 -0.55 8.24 7.38 2d7sA1 VAL 173 HA -0.02 -0.04 0.23 -0.75 4.13 3.54 2d7sA1 VAL 173 HB -0.03 0.14 -0.02 -0.04 2.12 2.16 2d7sA1 VAL 173 HG13 -0.03 -0.00 -0.24 -0.04 0.97 0.66 2d7sA1 VAL 173 HG23 -0.03 0.02 -0.47 -0.04 0.95 0.43 2d7sA1 ARG 174 H -0.03 0.57 -0.04 -0.55 8.46 8.40 2d7sA1 ARG 174 HA -0.02 0.07 0.41 -0.75 4.34 4.05 2d7sA1 ARG 174 HB2 -0.02 0.15 0.24 -0.04 1.90 2.22 2d7sA1 ARG 174 HB3 -0.02 -0.07 0.02 -0.04 1.80 1.69 2d7sA1 ARG 174 HG2 -0.01 -0.05 0.07 -0.04 1.67 1.64 2d7sA1 ARG 174 HG3 -0.01 0.18 0.08 -0.04 1.67 1.87 2d7sA1 ARG 174 HD2 -0.01 -0.04 0.01 -0.04 3.22 3.14 2d7sA1 ARG 174 HD3 -0.02 0.03 0.05 -0.04 3.22 3.24 2d7sA1 ALA 175 H -0.03 0.47 -0.21 -0.55 8.40 8.09 2d7sA1 ALA 175 HA -0.02 0.05 0.41 -0.75 4.34 4.03 2d7sA1 ALA 175 HB3 -0.02 -0.01 0.03 -0.04 1.41 1.36 2d7sA1 GLY 176 H -0.02 0.28 -0.81 -0.55 8.43 7.33 2d7sA1 GLY 176 HA2 -0.03 -0.02 0.30 -0.51 4.01 3.75 2d7sA1 GLY 176 HA3 -0.03 0.08 0.45 -0.51 4.01 4.00 2d7sA1 LYS 177 H -0.03 0.57 -0.05 -0.55 8.42 8.36 2d7sA1 LYS 177 HA -0.05 0.21 0.51 -0.75 4.32 4.24 2d7sA1 LYS 177 HB2 -0.02 -0.01 0.08 -0.04 1.87 1.88 2d7sA1 LYS 177 HB3 -0.02 -0.05 0.13 -0.04 1.79 1.80 2d7sA1 LYS 177 HG2 -0.03 0.07 -0.11 -0.04 1.46 1.36 2d7sA1 LYS 177 HG3 -0.03 0.03 -0.21 -0.04 1.46 1.20 2d7sA1 LYS 177 HD2 -0.02 -0.10 0.00 -0.04 1.69 1.53 2d7sA1 LYS 177 HD3 -0.01 -0.05 0.00 -0.04 1.68 1.58 2d7sA1 LYS 177 HE2 -0.01 -0.04 -0.03 -0.04 2.99 2.86 2d7sA1 LYS 177 HE3 -0.02 0.03 -0.05 -0.04 2.99 2.92 2d7sA1 THR 178 H -0.05 0.24 -0.61 -0.55 8.28 7.32 2d7sA1 THR 178 HA -0.02 -0.03 0.39 -0.75 4.39 3.98 2d7sA1 THR 178 HB -0.05 0.01 0.04 -0.04 4.32 4.27 2d7sA1 THR 178 HG23 -0.00 0.04 -0.15 -0.04 1.22 1.07 2d7sA1 ARG 179 H -0.00 0.07 0.21 -0.55 8.46 8.18 2d7sA1 ARG 179 HA -0.02 0.15 0.55 -0.75 4.34 4.27 2d7sA1 ARG 179 HB2 0.02 -0.08 0.07 -0.04 1.90 1.87 2d7sA1 ARG 179 HB3 0.02 0.04 0.05 -0.04 1.80 1.88 2d7sA1 ARG 179 HG2 0.00 0.09 0.02 -0.04 1.67 1.73 2d7sA1 ARG 179 HG3 0.01 0.01 0.09 -0.04 1.67 1.74 2d7sA1 ARG 179 HD2 0.03 -0.01 0.02 -0.04 3.22 3.21 2d7sA1 ARG 179 HD3 0.02 -0.01 0.02 -0.04 3.22 3.21 2d7sA1 ILE 180 H 0.00 0.17 0.20 -0.55 8.25 8.08 2d7sA1 ILE 180 HA 0.06 0.20 1.00 -0.75 4.18 4.69 2d7sA1 ILE 180 HB 0.08 -0.01 -0.01 -0.04 1.89 1.92 2d7sA1 ILE 180 HG12 -0.00 0.01 0.11 -0.04 1.49 1.57 2d7sA1 ILE 180 HG13 0.07 -0.07 -0.11 -0.04 1.21 1.06 2d7sA1 ILE 180 HG23 -0.13 0.02 -0.13 -0.04 0.93 0.66 2d7sA1 ILE 180 HD13 0.09 0.00 -0.11 -0.04 0.88 0.82 2d7sA1 VAL 181 H 0.17 0.40 0.01 -0.55 8.24 8.27 2d7sA1 VAL 181 HA 0.11 0.31 1.02 -0.75 4.13 4.81 2d7sA1 VAL 181 HB 0.13 -0.11 -0.02 -0.04 2.12 2.08 2d7sA1 VAL 181 HG13 0.04 0.03 -0.22 -0.04 0.97 0.78 2d7sA1 VAL 181 HG23 0.06 -0.00 -0.32 -0.04 0.95 0.65 2d7sA1 ASP 182 H 0.15 0.25 0.03 -0.55 8.40 8.28 2d7sA1 ASP 182 HA 0.22 0.28 0.55 -0.75 4.63 4.92 2d7sA1 ASP 182 HB2 0.17 -0.10 -0.04 -0.04 2.71 2.70 2d7sA1 ASP 182 HB3 0.26 0.04 -0.07 -0.04 2.70 2.90 2d7sA1 VAL 183 H 0.20 0.27 0.19 -0.55 8.24 8.36 2d7sA1 VAL 183 HA 0.05 0.08 0.66 -0.75 4.13 4.17 2d7sA1 VAL 183 HB 0.20 -0.07 0.09 -0.04 2.12 2.30 2d7sA1 VAL 183 HG13 0.05 -0.03 -0.19 -0.04 0.97 0.75 2d7sA1 VAL 183 HG23 -0.12 0.02 -0.09 -0.04 0.95 0.71 2d7sA1 LEU 184 H 0.03 0.16 0.03 -0.55 8.37 8.04 2d7sA1 LEU 184 HA -0.04 0.08 0.61 -0.75 4.35 4.24 2d7sA1 LEU 184 HB2 -0.02 -0.07 -0.01 -0.04 1.64 1.50 2d7sA1 LEU 184 HB3 -0.28 0.06 0.04 -0.04 1.64 1.43 2d7sA1 LEU 184 HG -0.22 0.03 -0.07 -0.04 1.64 1.34 2d7sA1 LEU 184 HD13 0.03 -0.05 -0.18 -0.04 0.93 0.68 2d7sA1 LEU 184 HD23 -0.15 -0.00 -0.04 -0.04 0.89 0.66 2d7sA1 PRO 185 HA 0.15 0.26 0.65 -0.51 4.44 4.98 2d7sA1 PRO 185 HB2 0.18 -0.22 0.19 -0.04 2.28 2.38 2d7sA1 PRO 185 HB3 -0.09 0.37 0.32 -0.04 2.02 2.58 2d7sA1 PRO 185 HG2 -0.12 -0.05 0.20 -0.04 2.03 2.03 2d7sA1 PRO 185 HG3 -0.02 0.08 0.29 -0.04 2.03 2.34 2d7sA1 PRO 185 HD2 -0.23 0.08 0.30 -0.04 3.68 3.79 2d7sA1 PRO 185 HD3 -0.05 0.14 0.43 -0.04 3.65 4.13 2d7sA1 VAL 186 H 0.34 0.56 0.36 -0.55 8.24 8.94 2d7sA1 VAL 186 HA 0.14 0.04 0.33 -0.75 4.13 3.88 2d7sA1 VAL 186 HB 0.18 0.13 0.21 -0.04 2.12 2.60 2d7sA1 VAL 186 HG13 0.21 0.02 0.04 -0.04 0.97 1.20 2d7sA1 VAL 186 HG23 0.15 -0.01 0.00 -0.04 0.95 1.05 2d7sA1 GLU 187 H 0.30 0.11 -0.48 -0.55 8.60 7.99 2d7sA1 GLU 187 HA 0.08 0.11 0.52 -0.75 4.29 4.25 2d7sA1 GLU 187 HB2 0.01 0.02 -0.02 -0.04 2.09 2.06 2d7sA1 GLU 187 HB3 0.17 -0.01 0.03 -0.04 1.99 2.13 2d7sA1 GLU 187 HG2 0.06 0.04 -0.08 -0.04 2.34 2.32 2d7sA1 GLU 187 HG3 -0.15 0.02 -0.08 -0.04 2.34 2.09 2d7sA1 HIS 188 H 0.19 0.45 0.01 -0.55 8.41 8.51 2d7sA1 HIS 188 HA 0.06 0.06 0.37 -0.75 4.63 4.37 2d7sA1 HIS 188 HB2 -0.09 -0.02 0.10 -0.04 3.26 3.21 2d7sA1 HIS 188 HB3 -0.17 0.08 0.06 -0.04 3.20 3.13 2d7sA1 HIS 188 HD2 0.16 -0.03 -0.02 -0.04 6.97 7.03 2d7sA1 HIS 188 HE1 -0.12 0.06 -0.07 -0.04 7.75 7.58 2d7sA1 ILE 189 H 0.08 0.24 -0.31 -0.55 8.25 7.71 2d7sA1 ILE 189 HA -0.06 0.01 0.36 -0.75 4.18 3.73 2d7sA1 ILE 189 HB 0.07 0.15 0.09 -0.04 1.89 2.16 2d7sA1 ILE 189 HG12 0.05 0.08 0.02 -0.04 1.49 1.61 2d7sA1 ILE 189 HG13 0.03 -0.21 0.09 -0.04 1.21 1.07 2d7sA1 ILE 189 HG23 0.04 -0.00 -0.14 -0.04 0.93 0.79 2d7sA1 ILE 189 HD13 0.07 -0.02 -0.20 -0.04 0.88 0.69 2d7sA1 LEU 190 H 0.05 0.33 -0.31 -0.55 8.37 7.89 2d7sA1 LEU 190 HA 0.01 0.11 0.42 -0.75 4.35 4.13 2d7sA1 LEU 190 HB2 0.02 0.12 0.19 -0.04 1.64 1.93 2d7sA1 LEU 190 HB3 0.05 0.05 0.16 -0.04 1.64 1.86 2d7sA1 LEU 190 HG -0.04 0.16 0.01 -0.04 1.64 1.73 2d7sA1 LEU 190 HD13 -0.05 -0.03 -0.09 -0.04 0.93 0.73 2d7sA1 LEU 190 HD23 0.01 -0.03 -0.17 -0.04 0.89 0.66 2d7sA1 TYR 191 H 0.12 0.60 -0.05 -0.55 8.29 8.40 2d7sA1 TYR 191 HA -0.02 0.02 0.42 -0.75 4.56 4.23 2d7sA1 TYR 191 HB2 -0.00 0.01 0.10 -0.04 3.06 3.13 2d7sA1 TYR 191 HB3 -0.02 0.08 0.03 -0.04 2.98 3.03 2d7sA1 TYR 191 HD2 0.06 -0.01 -0.03 -0.04 7.15 7.13 2d7sA1 TYR 191 HE2 0.11 0.04 0.01 -0.04 6.85 6.96 2d7sA1 THR 192 H -0.07 0.44 -0.39 -0.55 8.28 7.71 2d7sA1 THR 192 HA -0.13 0.06 0.43 -0.75 4.39 4.00 2d7sA1 THR 192 HB -0.09 0.04 0.13 -0.04 4.32 4.36 2d7sA1 THR 192 HG23 -0.12 -0.01 -0.12 -0.04 1.22 0.93 2d7sA1 ARG 193 H -0.03 0.57 -0.02 -0.55 8.46 8.42 2d7sA1 ARG 193 HA 0.04 -0.04 0.38 -0.75 4.34 3.96 2d7sA1 ARG 193 HB2 0.02 -0.02 0.05 -0.04 1.90 1.91 2d7sA1 ARG 193 HB3 0.04 -0.06 0.06 -0.04 1.80 1.80 2d7sA1 ARG 193 HG2 0.00 0.24 0.17 -0.04 1.67 2.04 2d7sA1 ARG 193 HG3 -0.01 0.26 0.16 -0.04 1.67 2.04 2d7sA1 ARG 193 HD2 0.02 0.03 -0.01 -0.04 3.22 3.22 2d7sA1 ARG 193 HD3 0.00 -0.00 -0.03 -0.04 3.22 3.15 2d7sA1 MET 194 H -0.11 0.29 -0.61 -0.55 8.47 7.49 2d7sA1 MET 194 HA -0.07 0.01 0.52 -0.75 4.52 4.23 2d7sA1 MET 194 HB2 -0.25 0.04 0.21 -0.04 2.15 2.11 2d7sA1 MET 194 HB3 -0.29 -0.03 0.02 -0.04 2.03 1.68 2d7sA1 MET 194 HG2 -0.05 0.06 -0.04 -0.04 2.63 2.56 2d7sA1 MET 194 HG3 -0.04 0.12 -0.04 -0.04 2.56 2.56 2d7sA1 MET 194 HE3 -0.02 -0.04 0.07 -0.04 2.10 2.07 2d7sA1 MET 195 H -0.18 0.37 -0.28 -0.55 8.47 7.83 2d7sA1 MET 195 HA -0.07 0.04 0.66 -0.75 4.52 4.39 2d7sA1 MET 195 HB2 -0.08 0.17 0.28 -0.04 2.15 2.48 2d7sA1 MET 195 HB3 0.03 -0.13 0.05 -0.04 2.03 1.93 2d7sA1 MET 195 HG2 -0.75 0.28 0.11 -0.04 2.63 2.23 2d7sA1 MET 195 HG3 -0.10 0.03 0.03 -0.04 2.56 2.48 2d7sA1 MET 195 HE3 -0.59 0.02 -0.10 -0.04 2.10 1.39 2d7sA1 ILE 196 H 0.06 0.55 0.15 -0.55 8.25 8.46 2d7sA1 ILE 196 HA 0.34 0.33 0.96 -0.75 4.18 5.05 2d7sA1 ILE 196 HB 0.57 -0.08 0.15 -0.04 1.89 2.49 2d7sA1 ILE 196 HG12 0.08 0.24 0.01 -0.04 1.49 1.78 2d7sA1 ILE 196 HG13 0.20 -0.09 -0.26 -0.04 1.21 1.02 2d7sA1 ILE 196 HG23 0.46 0.02 -0.16 -0.04 0.93 1.21 2d7sA1 ILE 196 HD13 0.08 -0.01 -0.09 -0.04 0.88 0.82 2d7sA1 GLY 197 H 0.07 0.53 -0.12 -0.55 8.43 8.37 2d7sA1 GLY 197 HA2 0.11 -0.06 0.45 -0.51 4.01 4.01 2d7sA1 GLY 197 HA3 0.05 0.26 0.39 -0.51 4.01 4.21 2d7sA1 ARG 198 H 0.08 0.25 -0.36 -0.55 8.46 7.87 2d7sA1 ARG 198 HA 0.03 0.03 0.44 -0.75 4.34 4.09 2d7sA1 ARG 198 HB2 0.01 0.01 -0.07 -0.04 1.90 1.80 2d7sA1 ARG 198 HB3 -0.00 0.18 -0.09 -0.04 1.80 1.84 2d7sA1 ARG 198 HG2 -0.04 0.27 0.17 -0.04 1.67 2.02 2d7sA1 ARG 198 HG3 -0.02 -0.12 0.07 -0.04 1.67 1.56 2d7sA1 ARG 198 HD2 -0.01 -0.04 0.06 -0.04 3.22 3.18 2d7sA1 ARG 198 HD3 -0.00 -0.14 0.01 -0.04 3.22 3.05 2d7sA1 PHE 199 H 0.25 0.10 -0.33 -0.55 8.34 7.81 2d7sA1 PHE 199 HA -0.02 0.13 0.38 -0.75 4.62 4.35 2d7sA1 PHE 199 HB2 0.21 0.08 0.10 -0.04 3.15 3.50 2d7sA1 PHE 199 HB3 0.28 0.10 0.17 -0.04 3.06 3.57 2d7sA1 PHE 199 HD2 0.16 0.01 -0.07 -0.04 7.28 7.34 2d7sA1 PHE 199 HE2 0.16 -0.03 -0.08 -0.04 7.38 7.39 2d7sA1 PHE 199 HZ -0.05 -0.01 -0.06 -0.04 7.32 7.16 2d7sA1 CYS 200 H 0.22 0.60 -0.12 -0.55 8.50 8.64 2d7sA1 CYS 200 HA -0.22 -0.00 0.36 -0.75 4.58 3.97 2d7sA1 CYS 200 HB2 0.14 0.14 0.09 -0.04 2.97 3.30 2d7sA1 CYS 200 HB3 0.09 -0.11 0.01 -0.04 2.97 2.92 2d7sA1 ALA 201 H 0.06 0.37 -0.43 -0.55 8.40 7.85 2d7sA1 ALA 201 HA 0.18 -0.13 0.39 -0.75 4.34 4.02 2d7sA1 ALA 201 HB3 0.03 0.12 0.11 -0.04 1.41 1.63 2d7sA1 GLN 202 H -0.06 0.46 -0.17 -0.55 8.47 8.15 2d7sA1 GLN 202 HA -0.03 0.02 0.39 -0.75 4.36 3.98 2d7sA1 GLN 202 HB2 -0.09 0.12 0.15 -0.04 2.15 2.29 2d7sA1 GLN 202 HB3 -0.15 0.01 -0.04 -0.04 2.02 1.80 2d7sA1 GLN 202 HG2 -0.05 0.24 0.14 -0.04 2.40 2.69 2d7sA1 GLN 202 HG3 -0.04 -0.06 0.09 -0.04 2.39 2.33 2d7sA1 GLN 202 HE21 -0.02 -0.08 0.03 -0.04 6.97 6.86 2d7sA1 GLN 202 HE22 -0.02 0.03 0.03 -0.04 7.69 7.68 2d7sA1 MET 203 H -0.30 0.41 -0.32 -0.55 8.47 7.72 2d7sA1 MET 203 HA -0.24 0.01 0.28 -0.75 4.52 3.82 2d7sA1 MET 203 HB2 -0.43 0.08 0.20 -0.04 2.15 1.96 2d7sA1 MET 203 HB3 -0.35 -0.10 -0.08 -0.04 2.03 1.46 2d7sA1 MET 203 HG2 -0.96 0.11 -0.03 -0.04 2.63 1.71 2d7sA1 MET 203 HG3 -0.69 -0.11 -0.10 -0.04 2.56 1.61 2d7sA1 MET 203 HE3 -0.15 0.01 -0.07 -0.04 2.10 1.85 2d7sA1 HIS 204 H -0.19 0.55 -0.14 -0.55 8.41 8.09 2d7sA1 HIS 204 HA 0.02 0.18 0.32 -0.75 4.63 4.40 2d7sA1 HIS 204 HB2 -0.00 0.14 0.10 -0.04 3.26 3.46 2d7sA1 HIS 204 HB3 0.03 -0.02 -0.02 -0.04 3.20 3.14 2d7sA1 HIS 204 HD2 0.05 -0.11 -0.33 -0.04 6.97 6.54 2d7sA1 HIS 204 HE1 0.02 -0.10 -0.10 -0.04 7.75 7.53 2d7sA1 SER 205 H 0.07 0.41 -0.19 -0.55 8.46 8.21 2d7sA1 SER 205 HA 0.06 -0.03 0.38 -0.75 4.49 4.14 2d7sA1 SER 205 HB2 0.01 0.07 0.05 -0.04 3.95 4.04 2d7sA1 SER 205 HB3 0.02 -0.10 0.08 -0.04 3.93 3.88 2d7sA1 ASN 206 H -0.00 0.55 -0.23 -0.55 8.53 8.30 2d7sA1 ASN 206 HA 0.03 0.17 0.92 -0.75 4.76 5.12 2d7sA1 ASN 206 HB2 -0.03 0.05 0.05 -0.04 2.88 2.91 2d7sA1 ASN 206 HB3 -0.00 -0.11 0.16 -0.04 2.79 2.79 2d7sA1 ASN 206 HD21 -0.02 -0.07 0.01 -0.04 7.03 6.91 2d7sA1 ASN 206 HD22 -0.04 0.18 0.01 -0.04 7.74 7.85 2d7sA1 ASN 207 H 0.08 0.35 -0.34 -0.55 8.53 8.08 2d7sA1 ASN 207 HA 0.08 -0.09 0.36 -0.75 4.76 4.35 2d7sA1 ASN 207 HB2 0.23 -0.07 -0.18 -0.04 2.88 2.81 2d7sA1 ASN 207 HB3 0.14 0.26 -0.07 -0.04 2.79 3.09 2d7sA1 ASN 207 HD21 0.12 -0.16 -0.08 -0.04 7.03 6.87 2d7sA1 ASN 207 HD22 0.12 0.69 0.03 -0.04 7.74 8.54 2d7sA1 GLY 208 H 0.10 0.24 0.35 -0.55 8.43 8.58 2d7sA1 GLY 208 HA2 0.33 0.02 0.31 -0.51 4.01 4.15 2d7sA1 GLY 208 HA3 0.15 0.13 0.56 -0.51 4.01 4.34 2d7sA1 PRO 209 HA -0.06 0.31 0.45 -0.51 4.44 4.63 2d7sA1 PRO 209 HB2 -0.74 0.04 0.04 -0.04 2.28 1.59 2d7sA1 PRO 209 HB3 -0.45 -0.00 0.04 -0.04 2.02 1.57 2d7sA1 PRO 209 HG2 -0.35 0.04 -0.01 -0.04 2.03 1.67 2d7sA1 PRO 209 HG3 -0.88 0.04 0.03 -0.04 2.03 1.19 2d7sA1 PRO 209 HD2 0.06 0.15 0.20 -0.04 3.68 4.04 2d7sA1 PRO 209 HD3 0.08 0.10 0.11 -0.04 3.65 3.91 2d7sA1 GLN 210 H -0.04 0.01 -0.71 -0.55 8.47 7.18 2d7sA1 GLN 210 HA -0.03 0.10 0.47 -0.75 4.36 4.15 2d7sA1 GLN 210 HB2 -0.01 -0.02 0.07 -0.04 2.15 2.15 2d7sA1 GLN 210 HB3 -0.01 -0.12 0.18 -0.04 2.02 2.04 2d7sA1 GLN 210 HG2 -0.01 0.03 0.03 -0.04 2.40 2.41 2d7sA1 GLN 210 HG3 -0.03 0.07 -0.08 -0.04 2.39 2.31 2d7sA1 GLN 210 HE21 0.00 -0.04 0.00 -0.04 6.97 6.90 2d7sA1 GLN 210 HE22 -0.00 0.03 0.01 -0.04 7.69 7.68 2d7sA1 ILE 211 H -0.01 0.19 0.09 -0.55 8.25 7.97 2d7sA1 ILE 211 HA -0.04 0.10 0.35 -0.75 4.18 3.83 2d7sA1 ILE 211 HB -0.04 -0.05 0.07 -0.04 1.89 1.83 2d7sA1 ILE 211 HG12 0.03 -0.31 -0.19 -0.04 1.49 0.99 2d7sA1 ILE 211 HG13 -0.01 0.09 -0.09 -0.04 1.21 1.15 2d7sA1 ILE 211 HG23 -0.06 0.02 0.04 -0.04 0.93 0.89 2d7sA1 ILE 211 HD13 0.02 -0.06 0.19 -0.04 0.88 0.99 2d7sA1 GLY 212 H 0.03 0.16 -0.88 -0.55 8.43 7.19 2d7sA1 GLY 212 HA2 0.04 0.22 0.29 -0.51 4.01 4.06 2d7sA1 GLY 212 HA3 0.11 0.02 0.26 -0.51 4.01 3.89 2d7sA1 SER 213 H 0.06 0.15 -0.12 -0.55 8.46 8.00 2d7sA1 SER 213 HA 0.07 0.24 1.00 -0.75 4.49 5.05 2d7sA1 SER 213 HB2 0.04 0.06 -0.08 -0.04 3.95 3.93 2d7sA1 SER 213 HB3 0.03 0.07 -0.04 -0.04 3.93 3.94 2d7sA1 ALA 214 H 0.13 0.32 0.23 -0.55 8.40 8.53 2d7sA1 ALA 214 HA 0.31 0.21 0.68 -0.75 4.34 4.78 2d7sA1 ALA 214 HB3 0.53 -0.02 -0.25 -0.04 1.41 1.63 2d7sA1 VAL 215 H 0.00 0.02 0.04 -0.55 8.24 7.75 2d7sA1 VAL 215 HA 0.05 -0.01 0.43 -0.75 4.13 3.84 2d7sA1 VAL 215 HB -0.14 0.10 -0.01 -0.04 2.12 2.02 2d7sA1 VAL 215 HG13 0.01 -0.00 -0.12 -0.04 0.97 0.82 2d7sA1 VAL 215 HG23 -0.43 -0.03 -0.06 -0.04 0.95 0.39 2d7sA1 GLY 216 H 0.36 0.08 0.18 -0.55 8.43 8.51 2d7sA1 GLY 216 HA2 0.23 -0.04 0.33 -0.51 4.01 4.02 2d7sA1 GLY 216 HA3 0.33 0.18 0.64 -0.51 4.01 4.66 2d7sA1 CYS 217 H 0.33 0.30 -0.19 -0.55 8.50 8.39 2d7sA1 CYS 217 HA 0.17 0.18 0.50 -0.75 4.58 4.68 2d7sA1 CYS 217 HB2 0.32 -0.10 -0.02 -0.04 2.97 3.13 2d7sA1 CYS 217 HB3 0.44 0.11 -0.05 -0.04 2.97 3.43 2d7sA1 ASN 218 H 0.10 0.16 0.04 -0.55 8.53 8.29 2d7sA1 ASN 218 HA 0.04 0.23 0.81 -0.75 4.76 5.09 2d7sA1 ASN 218 HB2 0.03 0.15 0.03 -0.04 2.88 3.04 2d7sA1 ASN 218 HB3 0.03 -0.01 0.21 -0.04 2.79 2.98 2d7sA1 ASN 218 HD21 0.01 0.06 -0.01 -0.04 7.03 7.04 2d7sA1 ASN 218 HD22 -0.00 0.07 0.04 -0.04 7.74 7.81 2d7sA1 PRO 219 HA 0.28 0.01 0.22 -0.51 4.44 4.43 2d7sA1 PRO 219 HB2 -0.74 0.09 -0.10 -0.04 2.28 1.49 2d7sA1 PRO 219 HB3 -0.33 0.04 -0.01 -0.04 2.02 1.68 2d7sA1 PRO 219 HG2 -0.16 0.01 -0.03 -0.04 2.03 1.81 2d7sA1 PRO 219 HG3 -0.18 0.08 -0.01 -0.04 2.03 1.87 2d7sA1 PRO 219 HD2 -0.00 0.18 0.17 -0.04 3.68 3.98 2d7sA1 PRO 219 HD3 0.05 0.18 -0.11 -0.04 3.65 3.73 2d7sA1 ASP 220 H -0.05 0.06 -0.57 -0.55 8.40 7.29 2d7sA1 ASP 220 HA -0.04 0.12 0.38 -0.75 4.63 4.33 2d7sA1 ASP 220 HB2 0.02 -0.05 0.03 -0.04 2.71 2.67 2d7sA1 ASP 220 HB3 0.10 0.04 -0.05 -0.04 2.70 2.74 2d7sA1 VAL 221 H 0.05 0.47 0.01 -0.55 8.24 8.22 2d7sA1 VAL 221 HA 0.02 0.26 1.06 -0.75 4.13 4.72 2d7sA1 VAL 221 HB -0.12 0.11 0.00 -0.04 2.12 2.07 2d7sA1 VAL 221 HG13 -0.07 0.00 -0.22 -0.04 0.97 0.65 2d7sA1 VAL 221 HG23 -0.03 0.01 -0.06 -0.04 0.95 0.82 2d7sA1 ASP 222 H 0.05 0.42 0.08 -0.55 8.40 8.40 2d7sA1 ASP 222 HA -0.18 0.11 0.49 -0.75 4.63 4.29 2d7sA1 ASP 222 HB2 -0.03 -0.01 -0.20 -0.04 2.71 2.43 2d7sA1 ASP 222 HB3 -0.90 0.03 0.06 -0.04 2.70 1.85 2d7sA1 TRP 223 H 0.36 0.22 -0.78 -0.55 7.97 7.22 2d7sA1 TRP 223 HA 0.25 0.03 0.33 -0.75 4.62 4.47 2d7sA1 TRP 223 HB2 0.06 0.32 -0.05 -0.04 3.23 3.51 2d7sA1 TRP 223 HB3 0.17 0.05 -0.37 -0.04 3.23 3.04 2d7sA1 TRP 223 HD1 -0.10 -0.07 -0.49 -0.04 7.22 6.52 2d7sA1 TRP 223 HE1 -0.88 0.16 -0.47 -0.04 10.20 8.97 2d7sA1 TRP 223 HE3 0.20 -0.12 -0.26 -0.04 7.59 7.37 2d7sA1 TRP 223 HZ2 -0.35 0.24 -0.12 -0.04 7.44 7.17 2d7sA1 TRP 223 HZ3 0.40 -0.05 -0.16 -0.04 7.13 7.28 2d7sA1 TRP 223 HH2 0.16 -0.05 -0.24 -0.04 7.19 7.02 2d7sA1 GLN 224 H 0.21 0.40 -0.29 -0.55 8.47 8.24 2d7sA1 GLN 224 HA 0.49 -0.02 0.51 -0.75 4.36 4.58 2d7sA1 GLN 224 HB2 0.12 0.16 0.21 -0.04 2.15 2.60 2d7sA1 GLN 224 HB3 0.12 0.03 0.07 -0.04 2.02 2.19 2d7sA1 GLN 224 HG2 0.46 -0.08 0.13 -0.04 2.40 2.86 2d7sA1 GLN 224 HG3 0.19 0.08 0.06 -0.04 2.39 2.68 2d7sA1 GLN 224 HE21 0.31 0.01 -0.02 -0.04 6.97 7.23 2d7sA1 GLN 224 HE22 0.44 0.04 -0.01 -0.04 7.69 8.11 2d7sA1 ARG 225 H 0.01 0.17 -0.07 -0.55 8.46 8.01 2d7sA1 ARG 225 HA 0.07 0.04 0.34 -0.75 4.34 4.03 2d7sA1 ARG 225 HB2 -0.17 -0.04 0.19 -0.04 1.90 1.84 2d7sA1 ARG 225 HB3 -0.19 0.05 0.05 -0.04 1.80 1.67 2d7sA1 ARG 225 HG2 0.03 -0.02 0.07 -0.04 1.67 1.71 2d7sA1 ARG 225 HG3 -0.03 0.01 0.07 -0.04 1.67 1.68 2d7sA1 ARG 225 HD2 0.05 -0.01 0.00 -0.04 3.22 3.22 2d7sA1 ARG 225 HD3 0.02 0.02 0.03 -0.04 3.22 3.24 2d7sA1 PHE 226 H -0.21 0.61 -0.13 -0.55 8.34 8.05 2d7sA1 PHE 226 HA 0.05 0.01 0.32 -0.75 4.62 4.24 2d7sA1 PHE 226 HB2 -0.14 -0.00 0.02 -0.04 3.15 2.98 2d7sA1 PHE 226 HB3 -0.33 -0.03 -0.11 -0.04 3.06 2.55 2d7sA1 PHE 226 HD2 -0.07 -0.04 -0.14 -0.04 7.28 6.99 2d7sA1 PHE 226 HE2 0.27 -0.00 -0.14 -0.04 7.38 7.46 2d7sA1 PHE 226 HZ 0.21 0.03 -0.14 -0.04 7.32 7.37 2d7sA1 GLY 227 H -0.04 0.45 -0.29 -0.55 8.43 8.01 2d7sA1 GLY 227 HA2 -0.80 -0.05 0.24 -0.51 4.01 2.89 2d7sA1 GLY 227 HA3 -1.20 0.08 0.27 -0.51 4.01 2.65 2d7sA1 THR 228 H 0.06 0.58 -0.19 -0.55 8.28 8.18 2d7sA1 THR 228 HA 0.20 0.01 0.41 -0.75 4.39 4.26 2d7sA1 THR 228 HB 0.14 -0.05 -0.02 -0.04 4.32 4.34 2d7sA1 THR 228 HG23 0.29 -0.01 0.03 -0.04 1.22 1.48 2d7sA1 HIS 229 H 0.21 0.45 -0.04 -0.55 8.41 8.49 2d7sA1 HIS 229 HA 0.04 -0.01 0.39 -0.75 4.63 4.30 2d7sA1 HIS 229 HB2 0.07 -0.00 0.13 -0.04 3.26 3.43 2d7sA1 HIS 229 HB3 0.15 0.16 0.16 -0.04 3.20 3.62 2d7sA1 HIS 229 HD2 -1.61 0.00 -0.30 -0.04 6.97 5.02 2d7sA1 HIS 229 HE1 -0.03 0.02 -0.03 -0.04 7.75 7.67 2d7sA1 PHE 230 H 0.27 0.52 -0.26 -0.55 8.34 8.31 2d7sA1 PHE 230 HA -0.07 0.06 0.64 -0.75 4.62 4.50 2d7sA1 PHE 230 HB2 -0.35 0.09 -0.01 -0.04 3.15 2.84 2d7sA1 PHE 230 HB3 -0.24 -0.08 0.12 -0.04 3.06 2.83 2d7sA1 PHE 230 HD2 -0.15 0.11 -0.10 -0.04 7.28 7.09 2d7sA1 PHE 230 HE2 -0.22 -0.00 -0.23 -0.04 7.38 6.88 2d7sA1 PHE 230 HZ -0.22 -0.04 -0.31 -0.04 7.32 6.71 2d7sA1 ALA 231 H 0.05 0.53 -0.54 -0.55 8.40 7.90 2d7sA1 ALA 231 HA 0.06 0.06 0.78 -0.75 4.34 4.48 2d7sA1 ALA 231 HB3 0.10 0.05 0.11 -0.04 1.41 1.63 2d7sA1 GLN 232 H 0.04 0.21 -0.09 -0.55 8.47 8.09 2d7sA1 GLN 232 HA -0.09 0.11 0.61 -0.75 4.36 4.24 2d7sA1 GLN 232 HB2 -0.25 0.13 0.16 -0.04 2.15 2.15 2d7sA1 GLN 232 HB3 -0.43 -0.06 -0.04 -0.04 2.02 1.45 2d7sA1 GLN 232 HG2 -0.17 -0.05 0.02 -0.04 2.40 2.16 2d7sA1 GLN 232 HG3 -0.10 -0.01 0.01 -0.04 2.39 2.25 2d7sA1 GLN 232 HE21 -0.04 -0.04 -0.02 -0.04 6.97 6.83 2d7sA1 GLN 232 HE22 -0.10 -0.05 0.02 -0.04 7.69 7.51 2d7sA1 TYR 233 H 0.36 0.05 -0.18 -0.55 8.29 7.97 2d7sA1 TYR 233 HA -0.07 0.06 0.46 -0.75 4.56 4.26 2d7sA1 TYR 233 HB2 -0.05 0.09 -0.10 -0.04 3.06 2.96 2d7sA1 TYR 233 HB3 -0.01 -0.09 -0.12 -0.04 2.98 2.72 2d7sA1 TYR 233 HD2 -0.12 -0.14 -0.07 -0.04 7.15 6.77 2d7sA1 TYR 233 HE2 -0.39 0.14 -0.02 -0.04 6.85 6.54 2d7sA1 ARG 234 H 0.06 0.02 0.09 -0.55 8.46 8.08 2d7sA1 ARG 234 HA -0.01 0.09 0.48 -0.75 4.34 4.14 2d7sA1 ARG 234 HB2 0.05 0.06 0.31 -0.04 1.90 2.27 2d7sA1 ARG 234 HB3 0.00 -0.06 0.05 -0.04 1.80 1.75 2d7sA1 ARG 234 HG2 -0.04 -0.05 0.17 -0.04 1.67 1.71 2d7sA1 ARG 234 HG3 -0.02 0.22 0.25 -0.04 1.67 2.08 2d7sA1 ARG 234 HD2 -0.03 0.03 0.06 -0.04 3.22 3.24 2d7sA1 ARG 234 HD3 -0.04 -0.04 0.07 -0.04 3.22 3.18 2d7sA1 ASN 235 H 0.03 0.31 0.16 -0.55 8.53 8.48 2d7sA1 ASN 235 HA -0.32 0.31 0.91 -0.75 4.76 4.91 2d7sA1 ASN 235 HB2 -0.43 0.07 0.12 -0.04 2.88 2.60 2d7sA1 ASN 235 HB3 -1.45 -0.04 0.00 -0.04 2.79 1.27 2d7sA1 ASN 235 HD21 0.10 -0.05 -0.16 -0.04 7.03 6.88 2d7sA1 ASN 235 HD22 0.18 0.32 -0.11 -0.04 7.74 8.09 2d7sA1 VAL 236 H -0.53 0.35 0.08 -0.55 8.24 7.59 2d7sA1 VAL 236 HA -0.10 0.32 1.03 -0.75 4.13 4.64 2d7sA1 VAL 236 HB -0.11 -0.06 -0.35 -0.04 2.12 1.56 2d7sA1 VAL 236 HG13 -0.05 -0.02 -0.26 -0.04 0.97 0.59 2d7sA1 VAL 236 HG23 -0.01 0.01 -0.23 -0.04 0.95 0.68 2d7sA1 TRP 237 H 0.22 0.61 0.28 -0.55 7.97 8.53 2d7sA1 TRP 237 HA -0.12 0.17 0.92 -0.75 4.62 4.83 2d7sA1 TRP 237 HB2 -0.52 -0.02 0.06 -0.04 3.23 2.71 2d7sA1 TRP 237 HB3 -0.52 -0.06 -0.04 -0.04 3.23 2.57 2d7sA1 TRP 237 HD1 -0.34 -0.06 -0.06 -0.04 7.22 6.71 2d7sA1 TRP 237 HE1 -0.17 0.07 -0.12 -0.04 10.20 9.93 2d7sA1 TRP 237 HE3 -0.18 0.10 -0.29 -0.04 7.59 7.17 2d7sA1 TRP 237 HZ2 0.06 0.20 -0.05 -0.04 7.44 7.61 2d7sA1 TRP 237 HZ3 0.08 -0.01 -0.12 -0.04 7.13 7.04 2d7sA1 TRP 237 HH2 0.12 0.08 0.05 -0.04 7.19 7.39 2d7sA1 ASP 238 H 0.18 0.16 0.04 -0.55 8.40 8.24 2d7sA1 ASP 238 HA 0.10 0.32 0.92 -0.75 4.63 5.22 2d7sA1 ASP 238 HB2 0.10 0.02 0.02 -0.04 2.71 2.81 2d7sA1 ASP 238 HB3 0.11 -0.17 0.30 -0.04 2.70 2.91 2d7sA1 VAL 239 H 0.12 0.14 -0.17 -0.55 8.24 7.78 2d7sA1 VAL 239 HA 0.21 0.06 0.34 -0.75 4.13 3.99 2d7sA1 VAL 239 HB 0.07 0.03 -0.10 -0.04 2.12 2.08 2d7sA1 VAL 239 HG13 -0.32 0.01 -0.12 -0.04 0.97 0.50 2d7sA1 VAL 239 HG23 0.03 -0.00 -0.12 -0.04 0.95 0.82 2d7sA1 ASP 240 H -0.01 0.34 0.30 -0.55 8.40 8.48 2d7sA1 ASP 240 HA 0.11 0.07 0.90 -0.75 4.63 4.95 2d7sA1 ASP 240 HB2 0.02 0.04 -0.31 -0.04 2.71 2.42 2d7sA1 ASP 240 HB3 0.00 -0.01 -0.11 -0.04 2.70 2.54 2d7sA1 TYR 241 H 0.31 0.09 0.11 -0.55 8.29 8.25 2d7sA1 TYR 241 HA 0.04 0.41 0.87 -0.75 4.56 5.12 2d7sA1 TYR 241 HB2 0.10 -0.13 -0.04 -0.04 3.06 2.95 2d7sA1 TYR 241 HB3 0.20 0.02 -0.08 -0.04 2.98 3.09 2d7sA1 TYR 241 HD2 0.12 -0.01 -0.14 -0.04 7.15 7.07 2d7sA1 TYR 241 HE2 0.15 0.04 -0.17 -0.04 6.85 6.83 2d7sA1 SER 242 H 0.18 0.27 0.07 -0.55 8.46 8.44 2d7sA1 SER 242 HA 0.07 0.12 0.86 -0.75 4.49 4.79 2d7sA1 SER 242 HB2 0.03 0.05 -0.00 -0.04 3.95 3.99 2d7sA1 SER 242 HB3 0.05 -0.00 0.21 -0.04 3.93 4.14 2d7sA1 ALA 243 H 0.07 0.15 0.05 -0.55 8.40 8.13 2d7sA1 ALA 243 HA 0.02 -0.04 0.34 -0.75 4.34 3.90 2d7sA1 ALA 243 HB3 -0.05 0.10 0.08 -0.04 1.41 1.51 2d7sA1 PHE 244 H 0.21 0.05 -0.18 -0.55 8.34 7.87 2d7sA1 PHE 244 HA -0.06 0.15 0.20 -0.75 4.62 4.15 2d7sA1 PHE 244 HB2 -0.08 -0.02 -0.02 -0.04 3.15 2.99 2d7sA1 PHE 244 HB3 -0.06 -0.12 0.03 -0.04 3.06 2.87 2d7sA1 PHE 244 HD2 -0.19 -0.07 -0.17 -0.04 7.28 6.81 2d7sA1 PHE 244 HE2 0.13 0.04 -0.11 -0.04 7.38 7.39 2d7sA1 PHE 244 HZ -0.07 -0.01 -0.04 -0.04 7.32 7.15 2d7sA1 ASP 245 H 0.05 -0.01 -0.17 -0.55 8.40 7.72 2d7sA1 ASP 245 HA -0.29 0.04 0.34 -0.75 4.63 3.97 2d7sA1 ASP 245 HB2 -0.01 0.00 0.09 -0.04 2.71 2.75 2d7sA1 ASP 245 HB3 0.06 0.16 0.03 -0.04 2.70 2.90 2d7sA1 ALA 246 H -0.13 -0.03 -0.13 -0.55 8.40 7.56 2d7sA1 ALA 246 HA -0.12 0.04 0.37 -0.75 4.34 3.87 2d7sA1 ALA 246 HB3 -0.29 0.03 0.03 -0.04 1.41 1.15 2d7sA1 ASN 247 H -0.28 0.30 -0.41 -0.55 8.53 7.59 2d7sA1 ASN 247 HA -0.11 0.31 0.97 -0.75 4.76 5.17 2d7sA1 ASN 247 HB2 -0.11 -0.03 0.12 -0.04 2.88 2.81 2d7sA1 ASN 247 HB3 -0.07 0.15 0.29 -0.04 2.79 3.11 2d7sA1 ASN 247 HD21 -0.04 -0.10 0.10 -0.04 7.03 6.95 2d7sA1 ASN 247 HD22 -0.02 0.16 0.15 -0.04 7.74 7.98 2d7sA1 HIS 248 H -0.32 0.35 -0.13 -0.55 8.41 7.77 2d7sA1 HIS 248 HA -0.07 0.03 0.50 -0.75 4.63 4.34 2d7sA1 HIS 248 HB2 -0.10 -0.06 0.14 -0.04 3.26 3.21 2d7sA1 HIS 248 HB3 -0.10 -0.09 -0.01 -0.04 3.20 2.96 2d7sA1 HIS 248 HD2 -0.14 -0.09 0.10 -0.04 6.97 6.80 2d7sA1 HIS 248 HE1 -2.90 -0.08 -0.15 -0.04 7.75 4.57 2d7sA1 CYS 249 H -0.04 0.30 0.31 -0.55 8.50 8.52 2d7sA1 CYS 249 HA -0.04 0.06 0.45 -0.75 4.58 4.29 2d7sA1 CYS 249 HB2 -0.08 0.42 0.18 -0.04 2.97 3.44 2d7sA1 CYS 249 HB3 -0.09 0.33 0.24 -0.04 2.97 3.41 2d7sA1 SER 250 H -0.04 0.23 0.19 -0.55 8.46 8.29 2d7sA1 SER 250 HA -0.03 0.09 0.39 -0.75 4.49 4.19 2d7sA1 SER 250 HB2 -0.03 -0.00 0.11 -0.04 3.95 3.98 2d7sA1 SER 250 HB3 -0.02 0.02 0.05 -0.04 3.93 3.94 2d7sA1 ASP 251 H -0.09 0.18 -0.20 -0.55 8.40 7.74 2d7sA1 ASP 251 HA -0.07 0.07 0.43 -0.75 4.63 4.31 2d7sA1 ASP 251 HB2 -0.13 0.05 0.04 -0.04 2.71 2.63 2d7sA1 ASP 251 HB3 -0.09 0.00 -0.01 -0.04 2.70 2.56 2d7sA1 ALA 252 H -0.23 0.30 -0.23 -0.55 8.40 7.69 2d7sA1 ALA 252 HA -0.80 0.02 0.40 -0.75 4.34 3.21 2d7sA1 ALA 252 HB3 -0.38 0.04 0.06 -0.04 1.41 1.10 2d7sA1 MET 253 H -0.19 0.49 -0.15 -0.55 8.47 8.08 2d7sA1 MET 253 HA -0.53 0.00 0.31 -0.75 4.52 3.54 2d7sA1 MET 253 HB2 -0.15 0.07 0.03 -0.04 2.15 2.06 2d7sA1 MET 253 HB3 -0.36 0.02 -0.13 -0.04 2.03 1.52 2d7sA1 MET 253 HG2 -0.21 -0.04 -0.11 -0.04 2.63 2.23 2d7sA1 MET 253 HG3 -0.13 -0.04 -0.14 -0.04 2.56 2.20 2d7sA1 MET 253 HE3 0.15 0.03 -0.28 -0.04 2.10 1.95 2d7sA1 ASN 254 H -0.14 0.55 -0.13 -0.55 8.53 8.25 2d7sA1 ASN 254 HA 0.05 0.03 0.39 -0.75 4.76 4.47 2d7sA1 ASN 254 HB2 -0.03 0.13 0.15 -0.04 2.88 3.09 2d7sA1 ASN 254 HB3 0.03 -0.04 -0.04 -0.04 2.79 2.69 2d7sA1 ASN 254 HD21 0.04 -0.03 0.05 -0.04 7.03 7.05 2d7sA1 ASN 254 HD22 -0.01 0.37 0.13 -0.04 7.74 8.18 2d7sA1 ILE 255 H -0.05 0.50 -0.30 -0.55 8.25 7.84 2d7sA1 ILE 255 HA 0.08 0.03 0.51 -0.75 4.18 4.04 2d7sA1 ILE 255 HB 0.13 0.19 0.15 -0.04 1.89 2.31 2d7sA1 ILE 255 HG12 0.08 -0.07 -0.01 -0.04 1.49 1.45 2d7sA1 ILE 255 HG13 0.09 -0.05 0.00 -0.04 1.21 1.21 2d7sA1 ILE 255 HG23 0.29 -0.02 -0.19 -0.04 0.93 0.97 2d7sA1 ILE 255 HD13 0.01 0.09 -0.03 -0.04 0.88 0.91 2d7sA1 MET 256 H -0.02 0.60 -0.14 -0.55 8.47 8.36 2d7sA1 MET 256 HA 0.05 0.00 0.40 -0.75 4.52 4.23 2d7sA1 MET 256 HB2 0.09 0.03 0.03 -0.04 2.15 2.26 2d7sA1 MET 256 HB3 -0.30 0.09 0.12 -0.04 2.03 1.90 2d7sA1 MET 256 HG2 0.00 -0.04 -0.06 -0.04 2.63 2.49 2d7sA1 MET 256 HG3 -0.07 -0.02 -0.11 -0.04 2.56 2.33 2d7sA1 MET 256 HE3 0.12 0.01 -0.06 -0.04 2.10 2.13 2d7sA1 PHE 257 H -0.31 0.61 -0.07 -0.55 8.34 8.02 2d7sA1 PHE 257 HA 0.06 0.00 0.26 -0.75 4.62 4.19 2d7sA1 PHE 257 HB2 -0.02 0.09 0.06 -0.04 3.15 3.25 2d7sA1 PHE 257 HB3 -0.14 -0.06 -0.05 -0.04 3.06 2.77 2d7sA1 PHE 257 HD2 -0.11 -0.05 -0.15 -0.04 7.28 6.93 2d7sA1 PHE 257 HE2 -0.08 -0.02 -0.16 -0.04 7.38 7.08 2d7sA1 PHE 257 HZ -0.06 -0.01 -0.11 -0.04 7.32 7.11 2d7sA1 GLU 258 H 0.18 0.44 -0.31 -0.55 8.60 8.36 2d7sA1 GLU 258 HA 0.15 -0.04 0.29 -0.75 4.29 3.94 2d7sA1 GLU 258 HB2 0.11 0.10 0.12 -0.04 2.09 2.38 2d7sA1 GLU 258 HB3 0.10 -0.07 -0.02 -0.04 1.99 1.97 2d7sA1 GLU 258 HG2 0.12 -0.10 0.04 -0.04 2.34 2.36 2d7sA1 GLU 258 HG3 0.12 0.54 0.17 -0.04 2.34 3.13 2d7sA1 GLU 259 H 0.14 0.45 -0.30 -0.55 8.60 8.34 2d7sA1 GLU 259 HA 0.16 0.08 0.65 -0.75 4.29 4.42 2d7sA1 GLU 259 HB2 0.07 0.07 0.06 -0.04 2.09 2.25 2d7sA1 GLU 259 HB3 0.08 -0.07 -0.12 -0.04 1.99 1.84 2d7sA1 GLU 259 HG2 0.09 0.07 0.05 -0.04 2.34 2.51 2d7sA1 GLU 259 HG3 0.06 -0.04 0.09 -0.04 2.34 2.42 2d7sA1 VAL 260 H 0.20 0.61 -0.07 -0.55 8.24 8.44 2d7sA1 VAL 260 HA -0.10 0.17 0.85 -0.75 4.13 4.30 2d7sA1 VAL 260 HB 0.20 0.01 -0.05 -0.04 2.12 2.24 2d7sA1 VAL 260 HG13 -0.44 -0.02 0.06 -0.04 0.97 0.53 2d7sA1 VAL 260 HG23 0.06 0.03 -0.04 -0.04 0.95 0.96 2d7sA1 PHE 261 H 0.24 0.40 -0.25 -0.55 8.34 8.18 2d7sA1 PHE 261 HA -1.04 0.24 0.85 -0.75 4.62 3.92 2d7sA1 PHE 261 HB2 -0.23 0.06 0.03 -0.04 3.15 2.96 2d7sA1 PHE 261 HB3 -0.68 -0.10 0.10 -0.04 3.06 2.33 2d7sA1 PHE 261 HD2 -0.45 0.03 -0.13 -0.04 7.28 6.69 2d7sA1 PHE 261 HE2 -0.12 -0.04 -0.12 -0.04 7.38 7.06 2d7sA1 PHE 261 HZ -0.08 -0.06 -0.12 -0.04 7.32 7.03 2d7sA1 ARG 262 H 0.47 0.22 -0.22 -0.55 8.46 8.37 2d7sA1 ARG 262 HA 0.08 0.13 0.55 -0.75 4.34 4.36 2d7sA1 ARG 262 HB2 -0.61 -0.03 0.02 -0.04 1.90 1.25 2d7sA1 ARG 262 HB3 -0.14 -0.09 0.13 -0.04 1.80 1.65 2d7sA1 ARG 262 HG2 0.11 0.29 0.10 -0.04 1.67 2.13 2d7sA1 ARG 262 HG3 0.37 0.04 -0.09 -0.04 1.67 1.95 2d7sA1 ARG 262 HD2 0.16 0.06 0.09 -0.04 3.22 3.50 2d7sA1 ARG 262 HD3 -0.10 -0.03 0.02 -0.04 3.22 3.07 2d7sA1 THR 263 H 0.02 0.21 0.16 -0.55 8.28 8.11 2d7sA1 THR 263 HA 0.12 0.24 0.42 -0.75 4.39 4.41 2d7sA1 THR 263 HB -0.01 0.05 0.07 -0.04 4.32 4.38 2d7sA1 THR 263 HG23 0.01 0.08 -0.03 -0.04 1.22 1.25 2d7sA1 GLU 264 H -0.22 0.01 -0.37 -0.55 8.60 7.47 2d7sA1 GLU 264 HA -0.17 0.08 0.36 -0.75 4.29 3.81 2d7sA1 GLU 264 HB2 -0.89 -0.01 -0.03 -0.04 2.09 1.12 2d7sA1 GLU 264 HB3 -0.48 0.06 0.01 -0.04 1.99 1.55 2d7sA1 GLU 264 HG2 -0.19 0.04 0.02 -0.04 2.34 2.17 2d7sA1 GLU 264 HG3 -0.15 0.01 0.03 -0.04 2.34 2.19 2d7sA1 PHE 265 H -0.08 0.37 -0.66 -0.55 8.34 7.41 2d7sA1 PHE 265 HA 0.01 0.19 0.83 -0.75 4.62 4.89 2d7sA1 PHE 265 HB2 0.20 0.07 -0.02 -0.04 3.15 3.36 2d7sA1 PHE 265 HB3 -0.18 0.01 0.10 -0.04 3.06 2.96 2d7sA1 PHE 265 HD2 0.15 -0.01 -0.11 -0.04 7.28 7.27 2d7sA1 PHE 265 HE2 0.10 0.08 -0.07 -0.04 7.38 7.45 2d7sA1 PHE 265 HZ 0.07 0.03 -0.03 -0.04 7.32 7.34 2d7sA1 GLY 266 H 0.06 0.31 -0.17 -0.55 8.43 8.07 2d7sA1 GLY 266 HA2 -0.02 -0.01 0.30 -0.51 4.01 3.77 2d7sA1 GLY 266 HA3 -0.10 0.24 0.83 -0.51 4.01 4.48 2d7sA1 PHE 267 H 0.29 0.07 -0.07 -0.55 8.34 8.08 2d7sA1 PHE 267 HA 0.07 0.35 0.54 -0.75 4.62 4.82 2d7sA1 PHE 267 HB2 0.11 -0.02 -0.38 -0.04 3.15 2.81 2d7sA1 PHE 267 HB3 0.14 -0.07 0.06 -0.04 3.06 3.15 2d7sA1 PHE 267 HD2 0.11 0.08 -0.06 -0.04 7.28 7.37 2d7sA1 PHE 267 HE2 -0.38 -0.06 0.02 -0.04 7.38 6.93 2d7sA1 PHE 267 HZ -0.91 -0.03 0.02 -0.04 7.32 6.36 2d7sA1 HIS 268 H 0.36 0.20 0.21 -0.55 8.41 8.64 2d7sA1 HIS 268 HA 0.09 0.22 0.72 -0.75 4.63 4.91 2d7sA1 HIS 268 HB2 0.06 0.11 0.14 -0.04 3.26 3.54 2d7sA1 HIS 268 HB3 0.10 -0.07 0.14 -0.04 3.20 3.33 2d7sA1 HIS 268 HD2 0.05 0.03 0.05 -0.04 6.97 7.05 2d7sA1 HIS 268 HE1 0.07 0.07 -0.04 -0.04 7.75 7.80 2d7sA1 PRO 269 HA 0.10 0.07 0.45 -0.51 4.44 4.55 2d7sA1 PRO 269 HB2 0.01 0.05 0.17 -0.04 2.28 2.47 2d7sA1 PRO 269 HB3 -0.03 0.02 0.16 -0.04 2.02 2.13 2d7sA1 PRO 269 HG2 -0.20 0.06 -0.00 -0.04 2.03 1.85 2d7sA1 PRO 269 HG3 -0.19 0.06 0.09 -0.04 2.03 1.94 2d7sA1 PRO 269 HD2 -1.34 0.10 0.24 -0.04 3.68 2.65 2d7sA1 PRO 269 HD3 -0.25 0.19 0.22 -0.04 3.65 3.78 2d7sA1 ASN 270 H 0.63 0.13 -0.93 -0.55 8.53 7.81 2d7sA1 ASN 270 HA 0.36 0.16 0.84 -0.75 4.76 5.37 2d7sA1 ASN 270 HB2 0.30 -0.01 -0.01 -0.04 2.88 3.13 2d7sA1 ASN 270 HB3 0.49 0.01 0.14 -0.04 2.79 3.39 2d7sA1 ASN 270 HD21 -0.32 0.12 -0.02 -0.04 7.03 6.77 2d7sA1 ASN 270 HD22 0.01 -0.03 0.02 -0.04 7.74 7.70 2d7sA1 ALA 271 H 0.23 0.40 0.03 -0.55 8.40 8.52 2d7sA1 ALA 271 HA 0.05 0.11 0.61 -0.75 4.34 4.35 2d7sA1 ALA 271 HB3 0.12 0.03 0.12 -0.04 1.41 1.65 2d7sA1 GLU 272 H 0.10 0.17 0.00 -0.55 8.60 8.33 2d7sA1 GLU 272 HA -0.09 0.08 0.23 -0.75 4.29 3.76 2d7sA1 GLU 272 HB2 0.10 0.11 0.04 -0.04 2.09 2.29 2d7sA1 GLU 272 HB3 0.14 0.03 -0.02 -0.04 1.99 2.10 2d7sA1 GLU 272 HG2 0.12 -0.02 -0.13 -0.04 2.34 2.27 2d7sA1 GLU 272 HG3 0.13 0.01 -0.22 -0.04 2.34 2.21 2d7sA1 TRP 273 H 0.31 0.04 -0.55 -0.55 7.97 7.22 2d7sA1 TRP 273 HA 0.03 0.10 0.41 -0.75 4.62 4.40 2d7sA1 TRP 273 HB2 0.06 0.06 0.07 -0.04 3.23 3.39 2d7sA1 TRP 273 HB3 0.09 -0.03 0.06 -0.04 3.23 3.31 2d7sA1 TRP 273 HD1 0.04 -0.03 -0.01 -0.04 7.22 7.18 2d7sA1 TRP 273 HE1 0.02 0.07 -0.02 -0.04 10.20 10.23 2d7sA1 TRP 273 HE3 0.16 0.03 0.01 -0.04 7.59 7.75 2d7sA1 TRP 273 HZ2 0.07 0.27 -0.12 -0.04 7.44 7.62 2d7sA1 TRP 273 HZ3 -0.04 -0.06 -0.03 -0.04 7.13 6.96 2d7sA1 TRP 273 HH2 0.18 -0.14 -0.05 -0.04 7.19 7.15 2d7sA1 ILE 274 H 0.29 0.37 -0.20 -0.55 8.25 8.15 2d7sA1 ILE 274 HA -0.65 0.03 0.32 -0.75 4.18 3.13 2d7sA1 ILE 274 HB 0.37 0.12 0.15 -0.04 1.89 2.49 2d7sA1 ILE 274 HG12 -0.03 -0.04 0.04 -0.04 1.49 1.42 2d7sA1 ILE 274 HG13 0.18 -0.02 -0.11 -0.04 1.21 1.22 2d7sA1 ILE 274 HG23 -0.09 0.02 0.01 -0.04 0.93 0.83 2d7sA1 ILE 274 HD13 -0.43 -0.01 -0.08 -0.04 0.88 0.33 2d7sA1 LEU 275 H -0.32 0.35 -0.66 -0.55 8.37 7.20 2d7sA1 LEU 275 HA -0.51 0.08 0.57 -0.75 4.35 3.74 2d7sA1 LEU 275 HB2 -0.93 0.10 0.01 -0.04 1.64 0.77 2d7sA1 LEU 275 HB3 -2.49 -0.06 -0.06 -0.04 1.64 -1.01 2d7sA1 LEU 275 HG -0.57 0.13 -0.07 -0.04 1.64 1.09 2d7sA1 LEU 275 HD13 -1.42 -0.02 -0.14 -0.04 0.93 -0.69 2d7sA1 LEU 275 HD23 -0.48 -0.01 -0.10 -0.04 0.89 0.26 2d7sA1 LYS 276 H -0.25 0.43 -0.08 -0.55 8.42 7.97 2d7sA1 LYS 276 HA 0.18 -0.01 0.41 -0.75 4.32 4.15 2d7sA1 LYS 276 HB2 -0.03 0.12 0.23 -0.04 1.87 2.15 2d7sA1 LYS 276 HB3 0.03 -0.07 0.07 -0.04 1.79 1.78 2d7sA1 LYS 276 HG2 0.22 -0.09 0.07 -0.04 1.46 1.62 2d7sA1 LYS 276 HG3 0.15 0.18 0.10 -0.04 1.46 1.85 2d7sA1 LYS 276 HD2 0.14 -0.01 -0.05 -0.04 1.69 1.73 2d7sA1 LYS 276 HD3 0.11 -0.04 0.02 -0.04 1.68 1.72 2d7sA1 LYS 276 HE2 0.14 -0.01 -0.02 -0.04 2.99 3.06 2d7sA1 LYS 276 HE3 0.11 -0.03 -0.02 -0.04 2.99 3.01 2d7sA1 THR 277 H -0.31 0.31 -0.59 -0.55 8.28 7.14 2d7sA1 THR 277 HA -0.23 0.05 0.40 -0.75 4.39 3.86 2d7sA1 THR 277 HB -0.24 -0.07 0.03 -0.04 4.32 4.00 2d7sA1 THR 277 HG23 -1.05 0.12 -0.05 -0.04 1.22 0.20 2d7sA1 LEU 278 H -0.03 0.39 -0.56 -0.55 8.37 7.62 2d7sA1 LEU 278 HA 0.13 0.02 0.36 -0.75 4.35 4.11 2d7sA1 LEU 278 HB2 0.11 0.20 0.04 -0.04 1.64 1.95 2d7sA1 LEU 278 HB3 0.13 -0.05 0.06 -0.04 1.64 1.73 2d7sA1 LEU 278 HG 0.07 0.08 0.03 -0.04 1.64 1.78 2d7sA1 LEU 278 HD13 -0.09 -0.01 0.02 -0.04 0.93 0.81 2d7sA1 LEU 278 HD23 0.14 -0.03 -0.01 -0.04 0.89 0.94 2d7sA1 VAL 279 H 0.05 0.28 -0.52 -0.55 8.24 7.51 2d7sA1 VAL 279 HA 0.08 0.12 0.40 -0.75 4.13 3.98 2d7sA1 VAL 279 HB 0.03 0.02 0.19 -0.04 2.12 2.32 2d7sA1 VAL 279 HG13 0.02 -0.04 -0.03 -0.04 0.97 0.88 2d7sA1 VAL 279 HG23 0.13 -0.01 0.04 -0.04 0.95 1.06 2d7sA1 ASN 280 H -0.03 0.14 0.01 -0.55 8.53 8.10 2d7sA1 ASN 280 HA -0.01 0.16 0.71 -0.75 4.76 4.87 2d7sA1 ASN 280 HB2 -0.08 0.01 0.18 -0.04 2.88 2.95 2d7sA1 ASN 280 HB3 -0.06 -0.02 -0.00 -0.04 2.79 2.67 2d7sA1 ASN 280 HD21 -0.01 -0.04 0.02 -0.04 7.03 6.95 2d7sA1 ASN 280 HD22 -0.03 0.02 0.03 -0.04 7.74 7.72 2d7sA1 THR 281 H 0.02 0.76 0.29 -0.55 8.28 8.80 2d7sA1 THR 281 HA -0.15 0.21 1.07 -0.75 4.39 4.77 2d7sA1 THR 281 HB -0.20 -0.16 -0.03 -0.04 4.32 3.90 2d7sA1 THR 281 HG23 0.08 0.05 -0.31 -0.04 1.22 1.01 2d7sA1 GLU 282 H -0.20 0.15 0.20 -0.55 8.60 8.21 2d7sA1 GLU 282 HA -0.05 0.37 1.14 -0.75 4.29 4.99 2d7sA1 GLU 282 HB2 -0.15 0.04 0.05 -0.04 2.09 1.99 2d7sA1 GLU 282 HB3 -0.12 -0.12 0.17 -0.04 1.99 1.88 2d7sA1 GLU 282 HG2 -0.06 0.01 -0.18 -0.04 2.34 2.07 2d7sA1 GLU 282 HG3 -0.07 0.01 -0.14 -0.04 2.34 2.09 2d7sA1 HIS 283 H 0.07 0.87 0.36 -0.55 8.41 9.16 2d7sA1 HIS 283 HA 0.02 0.39 1.03 -0.75 4.63 5.31 2d7sA1 HIS 283 HB2 -0.10 -0.05 0.05 -0.04 3.26 3.13 2d7sA1 HIS 283 HB3 0.02 -0.02 -0.14 -0.04 3.20 3.01 2d7sA1 HIS 283 HD2 -0.06 0.06 -0.25 -0.04 6.97 6.68 2d7sA1 HIS 283 HE1 0.09 -0.05 -0.12 -0.04 7.75 7.62 2d7sA1 ALA 284 H 0.06 0.50 0.21 -0.55 8.40 8.62 2d7sA1 ALA 284 HA 0.03 0.30 1.06 -0.75 4.34 4.97 2d7sA1 ALA 284 HB3 -0.00 -0.02 0.04 -0.04 1.41 1.39 2d7sA1 TYR 285 H 0.12 0.40 -0.01 -0.55 8.29 8.25 2d7sA1 TYR 285 HA 0.04 0.14 0.88 -0.75 4.56 4.86 2d7sA1 TYR 285 HB2 0.12 0.02 -0.08 -0.04 3.06 3.08 2d7sA1 TYR 285 HB3 0.02 -0.04 0.12 -0.04 2.98 3.04 2d7sA1 TYR 285 HD2 0.16 0.04 -0.01 -0.04 7.15 7.30 2d7sA1 TYR 285 HE2 0.08 -0.02 -0.06 -0.04 6.85 6.80 2d7sA1 GLU 286 H -0.19 0.24 0.18 -0.55 8.60 8.28 2d7sA1 GLU 286 HA -0.16 0.22 0.49 -0.75 4.29 4.08 2d7sA1 GLU 286 HB2 -0.36 0.12 0.03 -0.04 2.09 1.84 2d7sA1 GLU 286 HB3 -0.17 -0.07 0.23 -0.04 1.99 1.93 2d7sA1 GLU 286 HG2 -0.27 0.23 0.24 -0.04 2.34 2.50 2d7sA1 GLU 286 HG3 -0.83 -0.02 -0.01 -0.04 2.34 1.45 2d7sA1 ASN 287 H -0.09 0.08 0.29 -0.55 8.53 8.26 2d7sA1 ASN 287 HA -0.03 0.42 0.83 -0.75 4.76 5.22 2d7sA1 ASN 287 HB2 -0.02 0.18 0.13 -0.04 2.88 3.12 2d7sA1 ASN 287 HB3 -0.03 -0.15 0.18 -0.04 2.79 2.75 2d7sA1 ASN 287 HD21 -0.00 -0.05 -0.14 -0.04 7.03 6.80 2d7sA1 ASN 287 HD22 -0.01 -0.08 -0.01 -0.04 7.74 7.60 2d7sA1 LYS 288 H -0.02 0.29 0.01 -0.55 8.42 8.15 2d7sA1 LYS 288 HA -0.01 0.17 0.75 -0.75 4.32 4.48 2d7sA1 LYS 288 HB2 0.10 0.12 0.19 -0.04 1.87 2.23 2d7sA1 LYS 288 HB3 -0.02 -0.03 0.04 -0.04 1.79 1.75 2d7sA1 LYS 288 HG2 0.03 -0.09 -0.00 -0.04 1.46 1.35 2d7sA1 LYS 288 HG3 0.12 -0.05 0.03 -0.04 1.46 1.51 2d7sA1 LYS 288 HD2 -0.02 -0.02 -0.07 -0.04 1.69 1.54 2d7sA1 LYS 288 HD3 -0.01 0.08 -0.17 -0.04 1.68 1.54 2d7sA1 LYS 288 HE2 0.03 -0.03 -0.07 -0.04 2.99 2.88 2d7sA1 LYS 288 HE3 0.07 -0.04 -0.05 -0.04 2.99 2.93 2d7sA1 ARG 289 H -0.03 0.56 0.26 -0.55 8.46 8.69 2d7sA1 ARG 289 HA -0.02 0.24 0.81 -0.75 4.34 4.62 2d7sA1 ARG 289 HB2 -0.03 -0.03 0.02 -0.04 1.90 1.81 2d7sA1 ARG 289 HB3 -0.04 -0.03 -0.06 -0.04 1.80 1.64 2d7sA1 ARG 289 HG2 -0.02 -0.08 -0.09 -0.04 1.67 1.43 2d7sA1 ARG 289 HG3 -0.02 0.27 -0.52 -0.04 1.67 1.37 2d7sA1 ARG 289 HD2 -0.03 0.07 -0.16 -0.04 3.22 3.06 2d7sA1 ARG 289 HD3 -0.03 -0.08 -0.13 -0.04 3.22 2.94 2d7sA1 ILE 290 H -0.04 0.74 0.35 -0.55 8.25 8.76 2d7sA1 ILE 290 HA -0.08 0.28 1.12 -0.75 4.18 4.75 2d7sA1 ILE 290 HB -0.18 0.01 -0.05 -0.04 1.89 1.63 2d7sA1 ILE 290 HG12 -0.20 -0.06 -0.11 -0.04 1.49 1.08 2d7sA1 ILE 290 HG13 -0.13 0.20 0.13 -0.04 1.21 1.36 2d7sA1 ILE 290 HG23 -0.20 -0.02 0.05 -0.04 0.93 0.71 2d7sA1 ILE 290 HD13 -0.70 -0.00 -0.06 -0.04 0.88 0.08 2d7sA1 THR 291 H -0.07 0.34 0.32 -0.55 8.28 8.33 2d7sA1 THR 291 HA -0.02 0.29 1.06 -0.75 4.39 4.96 2d7sA1 THR 291 HB -0.04 -0.15 0.21 -0.04 4.32 4.29 2d7sA1 THR 291 HG23 -0.05 0.01 -0.13 -0.04 1.22 1.01 2d7sA1 VAL 292 H 0.06 0.94 0.36 -0.55 8.24 9.06 2d7sA1 VAL 292 HA -0.03 0.20 1.20 -0.75 4.13 4.75 2d7sA1 VAL 292 HB 0.14 -0.05 0.09 -0.04 2.12 2.26 2d7sA1 VAL 292 HG13 0.07 0.06 -0.24 -0.04 0.97 0.82 2d7sA1 VAL 292 HG23 -0.28 -0.05 -0.24 -0.04 0.95 0.34 2d7sA1 GLU 293 H 0.00 0.69 0.38 -0.55 8.60 9.13 2d7sA1 GLU 293 HA 0.01 0.07 0.72 -0.75 4.29 4.34 2d7sA1 GLU 293 HB2 0.00 0.05 0.16 -0.04 2.09 2.26 2d7sA1 GLU 293 HB3 0.00 -0.08 0.06 -0.04 1.99 1.93 2d7sA1 GLU 293 HG2 -0.01 -0.01 0.02 -0.04 2.34 2.30 2d7sA1 GLU 293 HG3 -0.01 -0.01 -0.02 -0.04 2.34 2.26 2d7sA1 GLY 294 H 0.02 -0.04 0.12 -0.55 8.43 7.99 2d7sA1 GLY 294 HA2 0.02 -0.12 0.42 -0.51 4.01 3.82 2d7sA1 GLY 294 HA3 0.02 -0.09 0.42 -0.51 4.01 3.84 2d7sA1 GLY 295 H 0.03 0.54 0.18 -0.55 8.43 8.63 2d7sA1 GLY 295 HA2 -0.01 -0.12 0.40 -0.51 4.01 3.77 2d7sA1 GLY 295 HA3 0.02 0.24 0.47 -0.51 4.01 4.22 2d7sA1 MET 296 H 0.09 0.36 0.08 -0.55 8.47 8.46 2d7sA1 MET 296 HA 0.13 0.37 0.85 -0.75 4.52 5.13 2d7sA1 MET 296 HB2 0.21 -0.04 -0.02 -0.04 2.15 2.26 2d7sA1 MET 296 HB3 0.17 -0.14 -0.07 -0.04 2.03 1.95 2d7sA1 MET 296 HG2 0.14 0.12 0.01 -0.04 2.63 2.85 2d7sA1 MET 296 HG3 0.18 0.01 -0.09 -0.04 2.56 2.62 2d7sA1 MET 296 HE3 0.11 -0.00 -0.14 -0.04 2.10 2.02 2d7sA1 PRO 297 HA 0.16 0.03 0.47 -0.51 4.44 4.59 2d7sA1 PRO 297 HB2 0.15 -0.04 -0.05 -0.04 2.28 2.30 2d7sA1 PRO 297 HB3 0.24 0.10 0.02 -0.04 2.02 2.34 2d7sA1 PRO 297 HG2 0.11 -0.14 0.15 -0.04 2.03 2.11 2d7sA1 PRO 297 HG3 0.12 0.08 0.06 -0.04 2.03 2.25 2d7sA1 PRO 297 HD2 0.13 0.02 0.20 -0.04 3.68 3.99 2d7sA1 PRO 297 HD3 0.15 0.49 0.17 -0.04 3.65 4.42 2d7sA1 SER 298 H 0.11 0.19 0.17 -0.55 8.46 8.39 2d7sA1 SER 298 HA 0.10 0.02 0.52 -0.75 4.49 4.38 2d7sA1 SER 298 HB2 0.08 0.06 0.27 -0.04 3.95 4.31 2d7sA1 SER 298 HB3 0.08 -0.01 0.05 -0.04 3.93 4.01 2d7sA1 GLY 299 H 0.08 0.21 0.18 -0.55 8.43 8.35 2d7sA1 GLY 299 HA2 0.05 -0.05 0.26 -0.51 4.01 3.77 2d7sA1 GLY 299 HA3 0.07 0.34 0.32 -0.51 4.01 4.23 2d7sA1 CYS 300 H 0.07 0.28 0.11 -0.55 8.50 8.41 2d7sA1 CYS 300 HA 0.05 -0.00 0.42 -0.75 4.58 4.29 2d7sA1 CYS 300 HB2 0.05 0.00 0.10 -0.04 2.97 3.08 2d7sA1 CYS 300 HB3 0.07 0.03 0.12 -0.04 2.97 3.14 2d7sA1 SER 301 H 0.03 0.08 0.18 -0.55 8.46 8.21 2d7sA1 SER 301 HA 0.05 0.09 0.53 -0.75 4.49 4.40 2d7sA1 SER 301 HB2 0.02 0.00 0.16 -0.04 3.95 4.10 2d7sA1 SER 301 HB3 0.04 0.02 -0.02 -0.04 3.93 3.94 2d7sA1 ALA 302 H 0.08 0.17 0.13 -0.55 8.40 8.23 2d7sA1 ALA 302 HA 0.09 -0.01 0.31 -0.75 4.34 3.98 2d7sA1 ALA 302 HB3 0.08 0.12 -0.01 -0.04 1.41 1.56 2d7sA1 THR 303 H 0.07 0.25 -0.71 -0.55 8.28 7.34 2d7sA1 THR 303 HA 0.08 0.13 0.23 -0.75 4.39 4.08 2d7sA1 THR 303 HB 0.08 0.25 0.02 -0.04 4.32 4.64 2d7sA1 THR 303 HG23 0.07 -0.05 0.02 -0.04 1.22 1.22 2d7sA1 SER 304 H 0.05 0.12 -0.15 -0.55 8.46 7.94 2d7sA1 SER 304 HA 0.02 0.04 0.34 -0.75 4.49 4.13 2d7sA1 SER 304 HB2 -0.05 -0.01 0.02 -0.04 3.95 3.88 2d7sA1 SER 304 HB3 -0.33 -0.01 -0.05 -0.04 3.93 3.50 2d7sA1 ILE 305 H 0.03 0.05 -0.40 -0.55 8.25 7.38 2d7sA1 ILE 305 HA -0.01 0.04 0.42 -0.75 4.18 3.88 2d7sA1 ILE 305 HB 0.10 0.04 0.13 -0.04 1.89 2.12 2d7sA1 ILE 305 HG12 -0.10 -0.12 -0.02 -0.04 1.49 1.20 2d7sA1 ILE 305 HG13 -0.10 0.05 -0.00 -0.04 1.21 1.12 2d7sA1 ILE 305 HG23 0.28 0.03 -0.21 -0.04 0.93 0.99 2d7sA1 ILE 305 HD13 -0.15 0.02 -0.05 -0.04 0.88 0.67 2d7sA1 ILE 306 H 0.12 0.70 0.01 -0.55 8.25 8.53 2d7sA1 ILE 306 HA 0.19 0.02 0.31 -0.75 4.18 3.95 2d7sA1 ILE 306 HB 0.11 0.06 0.08 -0.04 1.89 2.09 2d7sA1 ILE 306 HG12 0.12 0.18 -0.01 -0.04 1.49 1.74 2d7sA1 ILE 306 HG13 0.09 0.02 -0.09 -0.04 1.21 1.18 2d7sA1 ILE 306 HG23 0.17 -0.00 -0.17 -0.04 0.93 0.89 2d7sA1 ILE 306 HD13 0.18 -0.01 -0.07 -0.04 0.88 0.94 2d7sA1 ASN 307 H 0.09 0.65 -0.14 -0.55 8.53 8.58 2d7sA1 ASN 307 HA 0.02 0.01 0.35 -0.75 4.76 4.39 2d7sA1 ASN 307 HB2 0.15 -0.02 0.09 -0.04 2.88 3.05 2d7sA1 ASN 307 HB3 0.41 0.09 -0.16 -0.04 2.79 3.10 2d7sA1 ASN 307 HD21 0.15 -0.02 -0.11 -0.04 7.03 7.01 2d7sA1 ASN 307 HD22 0.11 0.27 0.06 -0.04 7.74 8.15 2d7sA1 THR 308 H 0.05 0.47 -0.21 -0.55 8.28 8.04 2d7sA1 THR 308 HA 0.03 0.04 0.34 -0.75 4.39 4.06 2d7sA1 THR 308 HB 0.03 0.13 0.25 -0.04 4.32 4.68 2d7sA1 THR 308 HG23 0.05 -0.02 -0.12 -0.04 1.22 1.09 2d7sA1 ILE 309 H 0.08 0.72 -0.03 -0.55 8.25 8.47 2d7sA1 ILE 309 HA 0.05 0.05 0.31 -0.75 4.18 3.84 2d7sA1 ILE 309 HB 0.13 0.12 0.15 -0.04 1.89 2.25 2d7sA1 ILE 309 HG12 0.31 -0.03 -0.06 -0.04 1.49 1.67 2d7sA1 ILE 309 HG13 0.40 0.01 -0.02 -0.04 1.21 1.56 2d7sA1 ILE 309 HG23 0.11 -0.02 -0.19 -0.04 0.93 0.79 2d7sA1 ILE 309 HD13 0.23 0.03 -0.07 -0.04 0.88 1.02 2d7sA1 LEU 310 H -0.10 0.64 -0.13 -0.55 8.37 8.23 2d7sA1 LEU 310 HA -0.37 -0.07 0.28 -0.75 4.35 3.44 2d7sA1 LEU 310 HB2 -0.28 0.17 0.16 -0.04 1.64 1.65 2d7sA1 LEU 310 HB3 -0.83 -0.06 -0.07 -0.04 1.64 0.64 2d7sA1 LEU 310 HG -0.25 0.15 0.00 -0.04 1.64 1.50 2d7sA1 LEU 310 HD13 -0.98 -0.02 -0.11 -0.04 0.93 -0.23 2d7sA1 LEU 310 HD23 -0.31 -0.03 -0.10 -0.04 0.89 0.41 2d7sA1 ASN 311 H 0.05 0.87 -0.06 -0.55 8.53 8.85 2d7sA1 ASN 311 HA 0.25 -0.10 0.29 -0.75 4.76 4.45 2d7sA1 ASN 311 HB2 -0.00 0.21 0.11 -0.04 2.88 3.15 2d7sA1 ASN 311 HB3 -0.00 0.08 0.02 -0.04 2.79 2.85 2d7sA1 ASN 311 HD21 -0.07 -0.02 -0.28 -0.04 7.03 6.62 2d7sA1 ASN 311 HD22 -0.17 0.02 -0.38 -0.04 7.74 7.17 2d7sA1 ASN 312 H -0.16 0.68 -0.33 -0.55 8.53 8.17 2d7sA1 ASN 312 HA -0.05 -0.04 0.46 -0.75 4.76 4.37 2d7sA1 ASN 312 HB2 -0.60 0.22 0.19 -0.04 2.88 2.65 2d7sA1 ASN 312 HB3 -0.76 -0.08 -0.05 -0.04 2.79 1.86 2d7sA1 ASN 312 HD21 0.05 0.18 0.04 -0.04 7.03 7.26 2d7sA1 ASN 312 HD22 -0.03 0.34 0.01 -0.04 7.74 8.01 2d7sA1 ILE 313 H -0.40 0.59 0.04 -0.55 8.25 7.93 2d7sA1 ILE 313 HA -0.26 0.03 0.41 -0.75 4.18 3.60 2d7sA1 ILE 313 HB -0.38 0.12 0.11 -0.04 1.89 1.70 2d7sA1 ILE 313 HG12 -0.36 -0.06 -0.06 -0.04 1.49 0.96 2d7sA1 ILE 313 HG13 -0.29 0.03 -0.07 -0.04 1.21 0.84 2d7sA1 ILE 313 HG23 -0.80 -0.03 -0.22 -0.04 0.93 -0.17 2d7sA1 ILE 313 HD13 -0.46 -0.02 -0.12 -0.04 0.88 0.24 2d7sA1 TYR 314 H -0.06 0.72 -0.16 -0.55 8.29 8.25 2d7sA1 TYR 314 HA 0.05 -0.02 0.34 -0.75 4.56 4.17 2d7sA1 TYR 314 HB2 0.32 0.18 0.03 -0.04 3.06 3.55 2d7sA1 TYR 314 HB3 0.36 -0.06 -0.08 -0.04 2.98 3.16 2d7sA1 TYR 314 HD2 0.41 -0.04 -0.12 -0.04 7.15 7.36 2d7sA1 TYR 314 HE2 -0.02 -0.02 -0.10 -0.04 6.85 6.67 2d7sA1 VAL 315 H 0.16 0.46 -0.33 -0.55 8.24 7.98 2d7sA1 VAL 315 HA 0.07 -0.02 0.32 -0.75 4.13 3.75 2d7sA1 VAL 315 HB 0.01 0.21 0.05 -0.04 2.12 2.35 2d7sA1 VAL 315 HG13 -0.44 -0.03 -0.19 -0.04 0.97 0.27 2d7sA1 VAL 315 HG23 0.18 0.06 -0.03 -0.04 0.95 1.12 2d7sA1 LEU 316 H 0.03 0.40 -0.27 -0.55 8.37 7.98 2d7sA1 LEU 316 HA 0.07 0.02 0.42 -0.75 4.35 4.11 2d7sA1 LEU 316 HB2 0.15 0.05 0.05 -0.04 1.64 1.86 2d7sA1 LEU 316 HB3 0.02 0.10 0.16 -0.04 1.64 1.88 2d7sA1 LEU 316 HG 0.03 -0.02 -0.21 -0.04 1.64 1.39 2d7sA1 LEU 316 HD13 0.12 -0.01 -0.14 -0.04 0.93 0.86 2d7sA1 LEU 316 HD23 0.03 0.01 0.05 -0.04 0.89 0.94 2d7sA1 TYR 317 H 0.12 0.74 -0.00 -0.55 8.29 8.59 2d7sA1 TYR 317 HA -0.05 -0.00 0.34 -0.75 4.56 4.09 2d7sA1 TYR 317 HB2 0.03 -0.03 0.06 -0.04 3.06 3.08 2d7sA1 TYR 317 HB3 0.07 0.09 0.16 -0.04 2.98 3.25 2d7sA1 TYR 317 HD2 0.04 0.00 -0.21 -0.04 7.15 6.95 2d7sA1 TYR 317 HE2 0.02 0.24 0.02 -0.04 6.85 7.08 2d7sA1 ALA 318 H -0.02 0.79 -0.11 -0.55 8.40 8.52 2d7sA1 ALA 318 HA -0.21 0.01 0.26 -0.75 4.34 3.65 2d7sA1 ALA 318 HB3 -0.87 -0.00 -0.05 -0.04 1.41 0.45 2d7sA1 LEU 319 H -0.23 0.43 -0.38 -0.55 8.37 7.64 2d7sA1 LEU 319 HA -0.21 -0.01 0.34 -0.75 4.35 3.71 2d7sA1 LEU 319 HB2 -0.18 0.19 0.12 -0.04 1.64 1.72 2d7sA1 LEU 319 HB3 -0.22 -0.11 -0.08 -0.04 1.64 1.19 2d7sA1 LEU 319 HG -0.46 0.13 0.01 -0.04 1.64 1.27 2d7sA1 LEU 319 HD13 -0.54 -0.02 -0.11 -0.04 0.93 0.23 2d7sA1 LEU 319 HD23 -0.62 -0.04 -0.12 -0.04 0.89 0.08 2d7sA1 ARG 320 H -0.13 0.66 -0.07 -0.55 8.46 8.36 2d7sA1 ARG 320 HA -0.07 -0.05 0.42 -0.75 4.34 3.90 2d7sA1 ARG 320 HB2 -0.15 0.16 0.13 -0.04 1.90 2.00 2d7sA1 ARG 320 HB3 -0.12 -0.06 0.02 -0.04 1.80 1.60 2d7sA1 ARG 320 HG2 -0.04 -0.11 0.07 -0.04 1.67 1.55 2d7sA1 ARG 320 HG3 -0.03 0.05 0.04 -0.04 1.67 1.68 2d7sA1 ARG 320 HD2 -0.03 -0.00 -0.12 -0.04 3.22 3.03 2d7sA1 ARG 320 HD3 -0.05 -0.06 -0.03 -0.04 3.22 3.05 2d7sA1 ARG 321 H -0.34 0.46 -0.43 -0.55 8.46 7.60 2d7sA1 ARG 321 HA -0.32 -0.00 0.42 -0.75 4.34 3.68 2d7sA1 ARG 321 HB2 -0.63 0.08 0.07 -0.04 1.90 1.39 2d7sA1 ARG 321 HB3 -0.73 0.12 0.07 -0.04 1.80 1.22 2d7sA1 ARG 321 HG2 -0.38 -0.02 0.13 -0.04 1.67 1.36 2d7sA1 ARG 321 HG3 -0.28 -0.05 0.10 -0.04 1.67 1.39 2d7sA1 ARG 321 HD2 -0.57 0.01 -0.00 -0.04 3.22 2.61 2d7sA1 ARG 321 HD3 -0.02 0.00 0.06 -0.04 3.22 3.22 2d7sA1 HIS 322 H -0.13 0.24 -0.70 -0.55 8.41 7.27 2d7sA1 HIS 322 HA -0.14 0.10 0.79 -0.75 4.63 4.63 2d7sA1 HIS 322 HB2 -0.07 0.03 -0.14 -0.04 3.26 3.04 2d7sA1 HIS 322 HB3 0.12 0.00 0.01 -0.04 3.20 3.29 2d7sA1 HIS 322 HD2 0.01 -0.06 -0.16 -0.04 6.97 6.71 2d7sA1 HIS 322 HE1 0.04 -0.04 0.07 -0.04 7.75 7.77 2d7sA1 TYR 323 H 0.12 0.68 0.28 -0.55 8.29 8.82 2d7sA1 TYR 323 HA -0.09 0.23 1.12 -0.75 4.56 5.06 2d7sA1 TYR 323 HB2 -0.08 0.08 -0.04 -0.04 3.06 2.98 2d7sA1 TYR 323 HB3 -0.09 -0.02 -0.04 -0.04 2.98 2.79 2d7sA1 TYR 323 HD2 0.03 0.01 -0.15 -0.04 7.15 7.00 2d7sA1 TYR 323 HE2 0.08 -0.02 -0.08 -0.04 6.85 6.80 2d7sA1 GLU 324 H 0.01 0.12 0.11 -0.55 8.60 8.30 2d7sA1 GLU 324 HA -0.04 0.12 0.71 -0.75 4.29 4.33 2d7sA1 GLU 324 HB2 -0.02 0.02 -0.02 -0.04 2.09 2.03 2d7sA1 GLU 324 HB3 -0.06 0.03 0.06 -0.04 1.99 1.98 2d7sA1 GLU 324 HG2 0.02 -0.02 0.16 -0.04 2.34 2.46 2d7sA1 GLU 324 HG3 -0.01 0.01 0.04 -0.04 2.34 2.34 2d7sA1 GLY 325 H -0.03 0.20 0.18 -0.55 8.43 8.24 2d7sA1 GLY 325 HA2 -0.02 0.05 0.31 -0.51 4.01 3.84 2d7sA1 GLY 325 HA3 -0.02 0.01 0.33 -0.51 4.01 3.82 2d7sA1 VAL 326 H -0.02 0.11 -0.24 -0.55 8.24 7.55 2d7sA1 VAL 326 HA -0.05 0.07 0.44 -0.75 4.13 3.84 2d7sA1 VAL 326 HB 0.00 0.02 -0.10 -0.04 2.12 2.00 2d7sA1 VAL 326 HG13 -0.04 0.01 -0.09 -0.04 0.97 0.81 2d7sA1 VAL 326 HG23 0.00 0.00 -0.36 -0.04 0.95 0.56 2d7sA1 GLU 327 H -0.03 0.13 0.23 -0.55 8.60 8.39 2d7sA1 GLU 327 HA -0.02 0.25 0.89 -0.75 4.29 4.66 2d7sA1 GLU 327 HB2 -0.03 -0.05 0.06 -0.04 2.09 2.04 2d7sA1 GLU 327 HB3 -0.03 -0.04 0.13 -0.04 1.99 2.01 2d7sA1 GLU 327 HG2 -0.02 0.20 -0.17 -0.04 2.34 2.31 2d7sA1 GLU 327 HG3 -0.01 -0.00 -0.03 -0.04 2.34 2.26 2d7sA1 LEU 328 H -0.06 0.20 0.15 -0.55 8.37 8.11 2d7sA1 LEU 328 HA -0.33 0.09 0.37 -0.75 4.35 3.73 2d7sA1 LEU 328 HB2 -0.07 -0.04 0.12 -0.04 1.64 1.61 2d7sA1 LEU 328 HB3 -0.11 0.13 0.05 -0.04 1.64 1.66 2d7sA1 LEU 328 HG -0.01 -0.06 0.03 -0.04 1.64 1.56 2d7sA1 LEU 328 HD13 -0.01 0.02 -0.06 -0.04 0.93 0.84 2d7sA1 LEU 328 HD23 0.07 0.02 -0.01 -0.04 0.89 0.92 2d7sA1 ASP 329 H -0.09 -0.02 -0.31 -0.55 8.40 7.43 2d7sA1 ASP 329 HA -0.10 0.32 0.71 -0.75 4.63 4.81 2d7sA1 ASP 329 HB2 0.00 0.02 0.09 -0.04 2.71 2.78 2d7sA1 ASP 329 HB3 -0.03 0.03 0.07 -0.04 2.70 2.73 2d7sA1 THR 330 H -0.14 0.51 -0.30 -0.55 8.28 7.80 2d7sA1 THR 330 HA 0.15 -0.01 0.45 -0.75 4.39 4.24 2d7sA1 THR 330 HB 0.12 0.11 0.09 -0.04 4.32 4.60 2d7sA1 THR 330 HG23 -0.20 -0.03 -0.02 -0.04 1.22 0.93 2d7sA1 TYR 331 H -0.47 0.26 -0.24 -0.55 8.29 7.30 2d7sA1 TYR 331 HA 0.18 0.09 0.92 -0.75 4.56 5.00 2d7sA1 TYR 331 HB2 0.09 0.07 0.17 -0.04 3.06 3.35 2d7sA1 TYR 331 HB3 0.09 -0.11 -0.13 -0.04 2.98 2.79 2d7sA1 TYR 331 HD2 -0.00 -0.05 -0.26 -0.04 7.15 6.80 2d7sA1 TYR 331 HE2 -0.01 -0.02 -0.17 -0.04 6.85 6.61 2d7sA1 THR 332 H 0.22 0.62 0.46 -0.55 8.28 9.02 2d7sA1 THR 332 HA 0.00 0.22 0.82 -0.75 4.39 4.68 2d7sA1 THR 332 HB -0.07 0.01 -0.14 -0.04 4.32 4.07 2d7sA1 THR 332 HG23 -0.92 0.01 -0.10 -0.04 1.22 0.17 2d7sA1 MET 333 H 0.08 0.47 0.32 -0.55 8.47 8.80 2d7sA1 MET 333 HA 0.28 0.22 0.76 -0.75 4.52 5.02 2d7sA1 MET 333 HB2 0.12 -0.06 0.06 -0.04 2.15 2.24 2d7sA1 MET 333 HB3 0.22 -0.05 -0.16 -0.04 2.03 2.00 2d7sA1 MET 333 HG2 0.25 0.01 -0.11 -0.04 2.63 2.74 2d7sA1 MET 333 HG3 0.12 0.06 -0.39 -0.04 2.56 2.30 2d7sA1 MET 333 HE3 0.06 -0.01 -0.26 -0.04 2.10 1.85 2d7sA1 ILE 334 H -0.02 0.33 0.15 -0.55 8.25 8.17 2d7sA1 ILE 334 HA -0.00 0.15 0.34 -0.75 4.18 3.91 2d7sA1 ILE 334 HB -0.11 0.09 -0.33 -0.04 1.89 1.49 2d7sA1 ILE 334 HG12 -0.14 -0.08 -0.60 -0.04 1.49 0.63 2d7sA1 ILE 334 HG13 -0.05 0.00 -0.69 -0.04 1.21 0.43 2d7sA1 ILE 334 HG23 -0.77 -0.01 -0.15 -0.04 0.93 -0.04 2d7sA1 ILE 334 HD13 -0.59 -0.03 -0.33 -0.04 0.88 -0.11 2d7sA1 SER 335 H 0.08 0.68 0.12 -0.55 8.46 8.79 2d7sA1 SER 335 HA 0.34 0.18 0.94 -0.75 4.49 5.19 2d7sA1 SER 335 HB2 0.08 0.10 -0.21 -0.04 3.95 3.88 2d7sA1 SER 335 HB3 0.08 -0.08 -0.16 -0.04 3.93 3.74 2d7sA1 TYR 336 H 0.34 0.65 -0.01 -0.55 8.29 8.72 2d7sA1 TYR 336 HA 0.10 0.03 0.75 -0.75 4.56 4.68 2d7sA1 TYR 336 HB2 -0.05 0.05 -0.17 -0.04 3.06 2.85 2d7sA1 TYR 336 HB3 -0.20 -0.07 0.15 -0.04 2.98 2.82 2d7sA1 TYR 336 HD2 0.05 -0.02 -0.32 -0.04 7.15 6.82 2d7sA1 TYR 336 HE2 0.07 0.02 -0.05 -0.04 6.85 6.84 2d7sA1 GLY 337 H -0.08 0.26 -0.01 -0.55 8.43 8.06 2d7sA1 GLY 337 HA2 0.07 0.06 0.33 -0.51 4.01 3.96 2d7sA1 GLY 337 HA3 0.10 -0.01 0.51 -0.51 4.01 4.09 2d7sA1 ASP 338 H 0.03 0.08 0.30 -0.55 8.40 8.25 2d7sA1 ASP 338 HA -0.93 0.25 0.74 -0.75 4.63 3.94 2d7sA1 ASP 338 HB2 -0.61 -0.01 0.03 -0.04 2.71 2.07 2d7sA1 ASP 338 HB3 -0.01 -0.06 -0.06 -0.04 2.70 2.53 2d7sA1 ASP 339 H 0.04 0.15 0.20 -0.55 8.40 8.24 2d7sA1 ASP 339 HA 0.12 0.09 0.46 -0.75 4.63 4.54 2d7sA1 ASP 339 HB2 -0.02 0.02 0.25 -0.04 2.71 2.92 2d7sA1 ASP 339 HB3 -0.06 -0.07 0.13 -0.04 2.70 2.65 2d7sA1 ILE 340 H 0.24 0.27 0.26 -0.55 8.25 8.47 2d7sA1 ILE 340 HA 0.22 0.18 0.74 -0.75 4.18 4.57 2d7sA1 ILE 340 HB 0.10 0.10 -0.29 -0.04 1.89 1.76 2d7sA1 ILE 340 HG12 0.14 0.01 -0.21 -0.04 1.49 1.39 2d7sA1 ILE 340 HG13 0.10 -0.07 -0.47 -0.04 1.21 0.73 2d7sA1 ILE 340 HG23 0.25 0.01 -0.10 -0.04 0.93 1.05 2d7sA1 ILE 340 HD13 0.05 -0.00 -0.20 -0.04 0.88 0.68 2d7sA1 VAL 341 H -0.12 0.40 0.14 -0.55 8.24 8.11 2d7sA1 VAL 341 HA -0.03 0.26 0.94 -0.75 4.13 4.54 2d7sA1 VAL 341 HB -0.74 0.02 0.09 -0.04 2.12 1.44 2d7sA1 VAL 341 HG13 -0.45 0.02 -0.15 -0.04 0.97 0.34 2d7sA1 VAL 341 HG23 -0.31 -0.03 -0.27 -0.04 0.95 0.30 2d7sA1 VAL 342 H 0.13 0.27 0.24 -0.55 8.24 8.33 2d7sA1 VAL 342 HA 0.21 0.31 1.20 -0.75 4.13 5.10 2d7sA1 VAL 342 HB 0.24 -0.10 0.01 -0.04 2.12 2.23 2d7sA1 VAL 342 HG13 0.12 0.02 -0.04 -0.04 0.97 1.03 2d7sA1 VAL 342 HG23 0.14 -0.01 -0.18 -0.04 0.95 0.87 2d7sA1 ALA 343 H 0.19 0.76 0.46 -0.55 8.40 9.26 2d7sA1 ALA 343 HA 0.25 0.33 0.95 -0.75 4.34 5.12 2d7sA1 ALA 343 HB3 -0.33 -0.01 -0.01 -0.04 1.41 1.02 2d7sA1 SER 344 H 0.37 0.52 0.31 -0.55 8.46 9.12 2d7sA1 SER 344 HA 0.46 0.15 0.79 -0.75 4.49 5.14 2d7sA1 SER 344 HB2 0.41 0.06 -0.01 -0.04 3.95 4.37 2d7sA1 SER 344 HB3 0.55 -0.04 -0.02 -0.04 3.93 4.39 2d7sA1 ASP 345 H 0.24 0.29 0.26 -0.55 8.40 8.65 2d7sA1 ASP 345 HA 0.07 -0.09 0.75 -0.75 4.63 4.61 2d7sA1 ASP 345 HB2 -0.16 0.06 0.18 -0.04 2.71 2.75 2d7sA1 ASP 345 HB3 -0.16 0.02 0.10 -0.04 2.70 2.61 2d7sA1 TYR 346 H 0.35 0.06 -0.06 -0.55 8.29 8.09 2d7sA1 TYR 346 HA 0.13 0.10 0.52 -0.75 4.56 4.55 2d7sA1 TYR 346 HB2 0.12 -0.02 0.00 -0.04 3.06 3.12 2d7sA1 TYR 346 HB3 0.14 -0.01 -0.02 -0.04 2.98 3.05 2d7sA1 TYR 346 HD2 0.12 0.04 0.10 -0.04 7.15 7.36 2d7sA1 TYR 346 HE2 0.07 0.06 0.08 -0.04 6.85 7.01 2d7sA1 ASP 347 H 0.28 0.14 0.05 -0.55 8.40 8.33 2d7sA1 ASP 347 HA 0.37 0.19 0.70 -0.75 4.63 5.13 2d7sA1 ASP 347 HB2 0.20 -0.03 0.19 -0.04 2.71 3.03 2d7sA1 ASP 347 HB3 0.22 0.01 0.10 -0.04 2.70 2.98 2d7sA1 LEU 348 H 0.42 0.33 -0.27 -0.55 8.37 8.30 2d7sA1 LEU 348 HA 0.08 0.04 0.28 -0.75 4.35 3.99 2d7sA1 LEU 348 HB2 -0.29 -0.02 -0.13 -0.04 1.64 1.16 2d7sA1 LEU 348 HB3 -0.46 0.01 -0.10 -0.04 1.64 1.04 2d7sA1 LEU 348 HG 0.18 0.12 -0.14 -0.04 1.64 1.77 2d7sA1 LEU 348 HD13 -0.20 0.01 -0.13 -0.04 0.93 0.57 2d7sA1 LEU 348 HD23 -0.43 -0.00 -0.14 -0.04 0.89 0.28 2d7sA1 ASP 349 H 0.14 0.18 0.03 -0.55 8.40 8.21 2d7sA1 ASP 349 HA 0.22 0.25 0.87 -0.75 4.63 5.21 2d7sA1 ASP 349 HB2 0.18 0.13 0.05 -0.04 2.71 3.02 2d7sA1 ASP 349 HB3 0.07 0.02 0.20 -0.04 2.70 2.95 2d7sA1 PHE 350 H 0.23 0.37 -0.05 -0.55 8.34 8.33 2d7sA1 PHE 350 HA -0.44 0.11 0.29 -0.75 4.62 3.82 2d7sA1 PHE 350 HB2 -0.87 0.05 -0.00 -0.04 3.15 2.29 2d7sA1 PHE 350 HB3 -1.71 0.01 -0.06 -0.04 3.06 1.25 2d7sA1 PHE 350 HD2 -1.01 0.00 -0.20 -0.04 7.28 6.03 2d7sA1 PHE 350 HE2 -1.23 0.01 -0.15 -0.04 7.38 5.97 2d7sA1 PHE 350 HZ -0.73 0.03 -0.14 -0.04 7.32 6.43 2d7sA1 GLU 351 H 0.15 0.14 -0.35 -0.55 8.60 7.99 2d7sA1 GLU 351 HA 0.35 0.11 0.49 -0.75 4.29 4.49 2d7sA1 GLU 351 HB2 0.15 0.01 0.06 -0.04 2.09 2.27 2d7sA1 GLU 351 HB3 0.12 0.06 0.00 -0.04 1.99 2.13 2d7sA1 GLU 351 HG2 0.39 -0.02 0.13 -0.04 2.34 2.80 2d7sA1 GLU 351 HG3 0.16 0.09 0.04 -0.04 2.34 2.59 2d7sA1 ALA 352 H -0.04 0.34 -0.32 -0.55 8.40 7.83 2d7sA1 ALA 352 HA -0.06 0.13 0.63 -0.75 4.34 4.29 2d7sA1 ALA 352 HB3 -0.19 0.03 0.11 -0.04 1.41 1.32 2d7sA1 LEU 353 H -0.10 0.30 -0.69 -0.55 8.37 7.33 2d7sA1 LEU 353 HA -0.03 0.18 0.79 -0.75 4.35 4.53 2d7sA1 LEU 353 HB2 -0.18 0.16 0.03 -0.04 1.64 1.61 2d7sA1 LEU 353 HB3 0.18 -0.05 -0.03 -0.04 1.64 1.70 2d7sA1 LEU 353 HG -0.36 0.16 -0.18 -0.04 1.64 1.22 2d7sA1 LEU 353 HD13 -0.94 -0.03 -0.21 -0.04 0.93 -0.29 2d7sA1 LEU 353 HD23 -0.11 0.04 -0.25 -0.04 0.89 0.53 2d7sA1 LYS 354 H 0.01 0.24 -0.17 -0.55 8.42 7.95 2d7sA1 LYS 354 HA 0.07 0.00 0.38 -0.75 4.32 4.02 2d7sA1 LYS 354 HB2 0.01 0.04 0.09 -0.04 1.87 1.97 2d7sA1 LYS 354 HB3 0.03 -0.01 0.07 -0.04 1.79 1.84 2d7sA1 LYS 354 HG2 0.14 -0.04 0.12 -0.04 1.46 1.63 2d7sA1 LYS 354 HG3 0.09 0.21 0.18 -0.04 1.46 1.90 2d7sA1 LYS 354 HD2 0.04 -0.04 0.07 -0.04 1.69 1.72 2d7sA1 LYS 354 HD3 0.06 0.14 0.12 -0.04 1.68 1.97 2d7sA1 LYS 354 HE2 0.20 -0.08 0.05 -0.04 2.99 3.11 2d7sA1 LYS 354 HE3 0.08 -0.03 0.11 -0.04 2.99 3.11 2d7sA1 PRO 355 HA -0.02 0.07 0.49 -0.51 4.44 4.47 2d7sA1 PRO 355 HB2 -0.37 0.07 0.04 -0.04 2.28 1.97 2d7sA1 PRO 355 HB3 -0.10 0.03 0.04 -0.04 2.02 1.94 2d7sA1 PRO 355 HG2 -0.13 0.10 0.02 -0.04 2.03 1.97 2d7sA1 PRO 355 HG3 -0.06 0.03 0.01 -0.04 2.03 1.97 2d7sA1 PRO 355 HD2 -0.20 0.23 -0.44 -0.04 3.68 3.23 2d7sA1 PRO 355 HD3 -0.05 0.10 -0.04 -0.04 3.65 3.62 2d7sA1 HIS 356 H -0.33 0.26 -0.11 -0.55 8.41 7.69 2d7sA1 HIS 356 HA 0.01 0.01 0.39 -0.75 4.63 4.29 2d7sA1 HIS 356 HB2 -0.13 0.06 0.08 -0.04 3.26 3.24 2d7sA1 HIS 356 HB3 -0.13 -0.02 0.08 -0.04 3.20 3.09 2d7sA1 HIS 356 HD2 -0.07 -0.05 -0.01 -0.04 6.97 6.79 2d7sA1 HIS 356 HE1 0.05 -0.06 0.10 -0.04 7.75 7.79 2d7sA1 PHE 357 H 0.21 0.45 -0.46 -0.55 8.34 7.99 2d7sA1 PHE 357 HA 0.00 0.05 0.61 -0.75 4.62 4.53 2d7sA1 PHE 357 HB2 -0.03 0.12 0.13 -0.04 3.15 3.33 2d7sA1 PHE 357 HB3 -0.02 0.11 0.04 -0.04 3.06 3.14 2d7sA1 PHE 357 HD2 -0.02 0.13 -0.12 -0.04 7.28 7.22 2d7sA1 PHE 357 HE2 -0.06 -0.04 -0.19 -0.04 7.38 7.05 2d7sA1 PHE 357 HZ -0.12 -0.03 -0.17 -0.04 7.32 6.96 2d7sA1 LYS 358 H 0.10 0.30 -0.11 -0.55 8.42 8.16 2d7sA1 LYS 358 HA 0.04 -0.02 0.44 -0.75 4.32 4.03 2d7sA1 LYS 358 HB2 0.03 0.04 0.38 -0.04 1.87 2.28 2d7sA1 LYS 358 HB3 0.02 -0.06 -0.01 -0.04 1.79 1.70 2d7sA1 LYS 358 HG2 0.03 0.11 0.02 -0.04 1.46 1.59 2d7sA1 LYS 358 HG3 0.01 -0.06 -0.02 -0.04 1.46 1.35 2d7sA1 LYS 358 HD2 0.01 -0.02 -0.02 -0.04 1.69 1.62 2d7sA1 LYS 358 HD3 0.02 -0.06 -0.10 -0.04 1.68 1.50 2d7sA1 LYS 358 HE2 0.01 -0.02 -0.09 -0.04 2.99 2.85 2d7sA1 LYS 358 HE3 0.01 -0.02 -0.04 -0.04 2.99 2.90 2d7sA1 SER 359 H 0.06 0.45 -0.23 -0.55 8.46 8.19 2d7sA1 SER 359 HA 0.02 0.03 0.36 -0.75 4.49 4.14 2d7sA1 SER 359 HB2 0.11 -0.13 0.06 -0.04 3.95 3.95 2d7sA1 SER 359 HB3 0.10 0.00 0.07 -0.04 3.93 4.06 2d7sA1 LEU 360 H -0.06 0.25 -0.72 -0.55 8.37 7.30 2d7sA1 LEU 360 HA -0.25 0.02 0.63 -0.75 4.35 3.99 2d7sA1 LEU 360 HB2 -0.35 0.19 0.06 -0.04 1.64 1.50 2d7sA1 LEU 360 HB3 -0.57 -0.09 0.05 -0.04 1.64 0.99 2d7sA1 LEU 360 HG -0.32 0.05 -0.07 -0.04 1.64 1.26 2d7sA1 LEU 360 HD13 -0.55 -0.02 0.04 -0.04 0.93 0.37 2d7sA1 LEU 360 HD23 -1.02 -0.02 -0.06 -0.04 0.89 -0.26 2d7sA1 GLY 361 H -0.05 0.06 -0.20 -0.55 8.43 7.71 2d7sA1 GLY 361 HA2 -0.02 0.04 0.32 -0.51 4.01 3.83 2d7sA1 GLY 361 HA3 -0.06 0.12 0.80 -0.51 4.01 4.37 2d7sA1 GLN 362 H 0.02 0.52 0.13 -0.55 8.47 8.59 2d7sA1 GLN 362 HA 0.10 0.20 0.89 -0.75 4.36 4.79 2d7sA1 GLN 362 HB2 0.23 -0.00 0.03 -0.04 2.15 2.37 2d7sA1 GLN 362 HB3 0.43 -0.07 -0.15 -0.04 2.02 2.19 2d7sA1 GLN 362 HG2 -0.14 0.02 -0.48 -0.04 2.40 1.76 2d7sA1 GLN 362 HG3 -0.12 -0.07 -0.15 -0.04 2.39 2.01 2d7sA1 GLN 362 HE21 -0.37 0.21 -0.16 -0.04 6.97 6.61 2d7sA1 GLN 362 HE22 -0.04 -0.01 -0.39 -0.04 7.69 7.20 2d7sA1 THR 363 H 0.08 0.22 0.07 -0.55 8.28 8.09 2d7sA1 THR 363 HA 0.02 0.13 0.72 -0.75 4.39 4.50 2d7sA1 THR 363 HB 0.02 -0.05 0.18 -0.04 4.32 4.43 2d7sA1 THR 363 HG23 -0.00 0.02 -0.11 -0.04 1.22 1.09 2d7sA1 ILE 364 H -0.08 0.18 0.14 -0.55 8.25 7.93 2d7sA1 ILE 364 HA -0.30 0.30 0.78 -0.75 4.18 4.20 2d7sA1 ILE 364 HB -0.29 -0.06 -0.06 -0.04 1.89 1.44 2d7sA1 ILE 364 HG12 -0.63 0.00 -0.15 -0.04 1.49 0.68 2d7sA1 ILE 364 HG13 -0.14 0.04 0.13 -0.04 1.21 1.19 2d7sA1 ILE 364 HG23 -1.21 0.00 -0.22 -0.04 0.93 -0.54 2d7sA1 ILE 364 HD13 0.12 -0.02 -0.12 -0.04 0.88 0.82 2d7sA1 THR 365 H -0.04 0.35 0.34 -0.55 8.28 8.38 2d7sA1 THR 365 HA -0.23 0.09 0.54 -0.75 4.39 4.04 2d7sA1 THR 365 HB -0.10 0.03 0.02 -0.04 4.32 4.22 2d7sA1 THR 365 HG23 -0.04 0.01 -0.31 -0.04 1.22 0.84 2d7sA1 PRO 366 HA -0.01 0.03 0.44 -0.51 4.44 4.39 2d7sA1 PRO 366 HB2 -0.21 0.16 -0.24 -0.04 2.28 1.94 2d7sA1 PRO 366 HB3 -0.22 -0.05 -0.07 -0.04 2.02 1.64 2d7sA1 PRO 366 HG2 -0.58 0.01 -0.52 -0.04 2.03 0.91 2d7sA1 PRO 366 HG3 -2.22 -0.06 -0.21 -0.04 2.03 -0.50 2d7sA1 PRO 366 HD2 -0.36 0.14 0.03 -0.04 3.68 3.45 2d7sA1 PRO 366 HD3 -0.74 0.16 0.10 -0.04 3.65 3.13 2d7sA1 ALA 367 H 0.06 0.27 0.18 -0.55 8.40 8.36 2d7sA1 ALA 367 HA 0.02 0.07 0.38 -0.75 4.34 4.06 2d7sA1 ALA 367 HB3 0.06 -0.01 0.19 -0.04 1.41 1.61 2d7sA1 ASP 368 H 0.04 0.09 0.06 -0.55 8.40 8.04 2d7sA1 ASP 368 HA 0.01 0.00 0.38 -0.75 4.63 4.26 2d7sA1 ASP 368 HB2 0.04 0.05 0.16 -0.04 2.71 2.92 2d7sA1 ASP 368 HB3 0.06 0.01 0.17 -0.04 2.70 2.90 2d7sA1 LYS 369 H -0.01 0.08 0.27 -0.55 8.42 8.20 2d7sA1 LYS 369 HA -0.04 0.19 0.23 -0.75 4.32 3.95 2d7sA1 LYS 369 HB2 -0.03 0.00 0.19 -0.04 1.87 1.99 2d7sA1 LYS 369 HB3 -0.02 0.05 0.20 -0.04 1.79 1.98 2d7sA1 LYS 369 HG2 -0.02 -0.04 -0.17 -0.04 1.46 1.19 2d7sA1 LYS 369 HG3 -0.01 -0.00 0.03 -0.04 1.46 1.43 2d7sA1 LYS 369 HD2 -0.01 -0.10 -0.08 -0.04 1.69 1.47 2d7sA1 LYS 369 HD3 -0.01 -0.01 -0.08 -0.04 1.68 1.55 2d7sA1 LYS 369 HE2 -0.00 -0.02 0.01 -0.04 2.99 2.94 2d7sA1 LYS 369 HE3 -0.01 0.02 0.04 -0.04 2.99 3.01 2d7sA1 SER 370 H -0.01 0.28 -0.91 -0.55 8.46 7.27 2d7sA1 SER 370 HA -0.01 0.02 0.53 -0.75 4.49 4.27 2d7sA1 SER 370 HB2 0.01 -0.04 0.02 -0.04 3.95 3.89 2d7sA1 SER 370 HB3 0.02 0.05 0.08 -0.04 3.93 4.04 2d7sA1 ASP 371 H -0.02 0.15 0.20 -0.55 8.40 8.19 2d7sA1 ASP 371 HA -0.02 0.04 0.31 -0.75 4.63 4.20 2d7sA1 ASP 371 HB2 -0.01 0.01 0.14 -0.04 2.71 2.81 2d7sA1 ASP 371 HB3 -0.01 -0.05 -0.02 -0.04 2.70 2.59 2d7sA1 LYS 372 H -0.06 0.11 -1.10 -0.55 8.42 6.82 2d7sA1 LYS 372 HA -0.15 0.07 0.11 -0.75 4.32 3.60 2d7sA1 LYS 372 HB2 -0.07 -0.02 -0.13 -0.04 1.87 1.61 2d7sA1 LYS 372 HB3 -0.12 -0.01 0.17 -0.04 1.79 1.79 2d7sA1 LYS 372 HG2 -0.08 0.06 -0.04 -0.04 1.46 1.36 2d7sA1 LYS 372 HG3 -0.05 -0.02 -0.06 -0.04 1.46 1.29 2d7sA1 LYS 372 HD2 -0.08 0.01 0.01 -0.04 1.69 1.59 2d7sA1 LYS 372 HD3 -0.05 -0.00 -0.00 -0.04 1.68 1.58 2d7sA1 LYS 372 HE2 -0.05 -0.00 -0.03 -0.04 2.99 2.87 2d7sA1 LYS 372 HE3 -0.04 -0.00 -0.01 -0.04 2.99 2.89 2d7sA1 GLY 373 H -0.09 0.23 -0.43 -0.55 8.43 7.60 2d7sA1 GLY 373 HA2 -0.07 0.12 1.01 -0.51 4.01 4.55 2d7sA1 GLY 373 HA3 -0.03 0.02 0.28 -0.51 4.01 3.77 2d7sA1 PHE 374 H 0.03 0.16 0.04 -0.55 8.34 8.02 2d7sA1 PHE 374 HA 0.04 0.03 0.40 -0.75 4.62 4.33 2d7sA1 PHE 374 HB2 0.10 -0.07 0.09 -0.04 3.15 3.23 2d7sA1 PHE 374 HB3 0.22 -0.03 0.02 -0.04 3.06 3.23 2d7sA1 PHE 374 HD2 0.09 0.03 -0.18 -0.04 7.28 7.18 2d7sA1 PHE 374 HE2 -0.03 0.04 -0.31 -0.04 7.38 7.04 2d7sA1 PHE 374 HZ -0.11 -0.02 -0.40 -0.04 7.32 6.75 2d7sA1 VAL 375 H -0.03 0.19 0.36 -0.55 8.24 8.21 2d7sA1 VAL 375 HA 0.06 0.09 0.60 -0.75 4.13 4.12 2d7sA1 VAL 375 HB -0.07 0.01 0.18 -0.04 2.12 2.20 2d7sA1 VAL 375 HG13 -0.00 0.07 0.02 -0.04 0.97 1.02 2d7sA1 VAL 375 HG23 -0.39 0.00 0.07 -0.04 0.95 0.59 2d7sA1 LEU 376 H -0.01 0.12 0.18 -0.55 8.37 8.11 2d7sA1 LEU 376 HA -0.27 0.23 0.91 -0.75 4.35 4.47 2d7sA1 LEU 376 HB2 0.03 0.01 0.04 -0.04 1.64 1.67 2d7sA1 LEU 376 HB3 -0.01 -0.04 0.14 -0.04 1.64 1.69 2d7sA1 LEU 376 HG 0.27 0.10 -0.22 -0.04 1.64 1.74 2d7sA1 LEU 376 HD13 0.11 -0.05 -0.00 -0.04 0.93 0.95 2d7sA1 LEU 376 HD23 0.20 0.01 -0.06 -0.04 0.89 1.00 2d7sA1 GLY 377 H -0.16 0.18 0.10 -0.55 8.43 8.00 2d7sA1 GLY 377 HA2 -0.05 0.11 0.42 -0.51 4.01 3.98 2d7sA1 GLY 377 HA3 -0.01 0.07 0.59 -0.51 4.01 4.15 2d7sA1 HIS 378 H 0.03 0.17 -0.73 -0.55 8.41 7.34 2d7sA1 HIS 378 HA -0.10 -0.06 0.34 -0.75 4.63 4.07 2d7sA1 HIS 378 HB2 -0.37 -0.01 0.07 -0.04 3.26 2.91 2d7sA1 HIS 378 HB3 -0.20 0.09 0.00 -0.04 3.20 3.05 2d7sA1 HIS 378 HD2 -0.06 -0.07 -0.00 -0.04 6.97 6.79 2d7sA1 HIS 378 HE1 -0.03 -0.01 0.02 -0.04 7.75 7.69 2d7sA1 SER 379 H -0.10 0.04 0.18 -0.55 8.46 8.04 2d7sA1 SER 379 HA -0.04 0.36 0.99 -0.75 4.49 5.04 2d7sA1 SER 379 HB2 0.00 0.00 0.17 -0.04 3.95 4.08 2d7sA1 SER 379 HB3 -0.02 0.21 0.03 -0.04 3.93 4.11 2d7sA1 ILE 380 H -0.02 0.36 0.15 -0.55 8.25 8.20 2d7sA1 ILE 380 HA -0.14 0.01 0.32 -0.75 4.18 3.61 2d7sA1 ILE 380 HB -0.04 0.10 0.10 -0.04 1.89 2.01 2d7sA1 ILE 380 HG12 -0.16 0.11 0.03 -0.04 1.49 1.43 2d7sA1 ILE 380 HG13 -0.35 0.11 -0.10 -0.04 1.21 0.83 2d7sA1 ILE 380 HG23 -0.06 -0.01 -0.21 -0.04 0.93 0.61 2d7sA1 ILE 380 HD13 -1.09 -0.04 -0.01 -0.04 0.88 -0.30 2d7sA1 THR 381 H 0.05 0.03 -0.58 -0.55 8.28 7.24 2d7sA1 THR 381 HA 0.14 0.27 0.84 -0.75 4.39 4.89 2d7sA1 THR 381 HB 0.05 -0.00 0.21 -0.04 4.32 4.54 2d7sA1 THR 381 HG23 0.10 0.04 -0.01 -0.04 1.22 1.30 2d7sA1 ASP 382 H 0.16 0.18 -0.27 -0.55 8.40 7.92 2d7sA1 ASP 382 HA 0.05 0.16 0.93 -0.75 4.63 5.01 2d7sA1 ASP 382 HB2 -0.14 0.06 0.10 -0.04 2.71 2.68 2d7sA1 ASP 382 HB3 -0.32 -0.07 0.05 -0.04 2.70 2.33 2d7sA1 VAL 383 H 0.09 0.11 0.04 -0.55 8.24 7.93 2d7sA1 VAL 383 HA 0.07 0.00 0.41 -0.75 4.13 3.86 2d7sA1 VAL 383 HB 0.07 -0.01 -0.05 -0.04 2.12 2.09 2d7sA1 VAL 383 HG13 0.02 0.01 -0.26 -0.04 0.97 0.71 2d7sA1 VAL 383 HG23 0.02 -0.00 -0.09 -0.04 0.95 0.83 2d7sA1 THR 384 H 0.13 0.16 0.08 -0.55 8.28 8.11 2d7sA1 THR 384 HA 0.26 0.27 0.74 -0.75 4.39 4.90 2d7sA1 THR 384 HB 0.08 -0.07 0.07 -0.04 4.32 4.37 2d7sA1 THR 384 HG23 0.06 -0.02 -0.35 -0.04 1.22 0.87 2d7sA1 PHE 385 H 0.47 0.53 0.09 -0.55 8.34 8.88 2d7sA1 PHE 385 HA 0.12 0.09 0.79 -0.75 4.62 4.87 2d7sA1 PHE 385 HB2 0.16 0.02 -0.11 -0.04 3.15 3.19 2d7sA1 PHE 385 HB3 0.29 0.07 -0.03 -0.04 3.06 3.35 2d7sA1 PHE 385 HD2 0.09 0.02 -0.17 -0.04 7.28 7.18 2d7sA1 PHE 385 HE2 0.03 0.04 -0.41 -0.04 7.38 7.00 2d7sA1 PHE 385 HZ 0.08 -0.11 -0.54 -0.04 7.32 6.71 2d7sA1 LEU 386 H -0.30 0.14 0.11 -0.55 8.37 7.78 2d7sA1 LEU 386 HA -0.24 0.01 0.30 -0.75 4.35 3.68 2d7sA1 LEU 386 HB2 -0.04 0.18 -0.13 -0.04 1.64 1.61 2d7sA1 LEU 386 HB3 -0.26 0.02 0.13 -0.04 1.64 1.48 2d7sA1 LEU 386 HG -1.16 -0.05 -0.24 -0.04 1.64 0.15 2d7sA1 LEU 386 HD13 -0.16 0.02 -0.11 -0.04 0.93 0.63 2d7sA1 LEU 386 HD23 -0.64 -0.01 0.01 -0.04 0.89 0.21 2d7sA1 LYS 387 H 0.01 0.08 -0.46 -0.55 8.42 7.50 2d7sA1 LYS 387 HA 0.01 -0.02 0.11 -0.75 4.32 3.67 2d7sA1 LYS 387 HB2 -0.08 0.25 -0.14 -0.04 1.87 1.86 2d7sA1 LYS 387 HB3 -0.05 -0.06 0.10 -0.04 1.79 1.75 2d7sA1 LYS 387 HG2 -0.02 -0.00 -0.05 -0.04 1.46 1.35 2d7sA1 LYS 387 HG3 -0.03 -0.11 -0.20 -0.04 1.46 1.07 2d7sA1 LYS 387 HD2 -0.07 0.07 -0.19 -0.04 1.69 1.45 2d7sA1 LYS 387 HD3 -0.05 0.01 -0.08 -0.04 1.68 1.51 2d7sA1 LYS 387 HE2 -0.04 -0.05 -0.08 -0.04 2.99 2.78 2d7sA1 LYS 387 HE3 -0.03 0.02 -0.07 -0.04 2.99 2.87 2d7sA1 ARG 388 H 0.11 0.62 -0.73 -0.55 8.46 7.91 2d7sA1 ARG 388 HA -0.04 0.15 0.69 -0.75 4.34 4.38 2d7sA1 ARG 388 HB2 -0.05 0.05 -0.02 -0.04 1.90 1.84 2d7sA1 ARG 388 HB3 -0.40 -0.08 -0.13 -0.04 1.80 1.14 2d7sA1 ARG 388 HG2 -0.25 -0.01 -0.29 -0.04 1.67 1.08 2d7sA1 ARG 388 HG3 -0.22 0.35 -0.22 -0.04 1.67 1.55 2d7sA1 ARG 388 HD2 -0.89 -0.06 -0.10 -0.04 3.22 2.14 2d7sA1 ARG 388 HD3 -0.88 -0.00 -0.13 -0.04 3.22 2.17 2d7sA1 HIS 389 H 0.10 0.66 0.23 -0.55 8.41 8.85 2d7sA1 HIS 389 HA 0.21 0.19 0.73 -0.75 4.63 5.00 2d7sA1 HIS 389 HB2 0.04 -0.06 0.05 -0.04 3.26 3.26 2d7sA1 HIS 389 HB3 -0.08 -0.04 0.05 -0.04 3.20 3.09 2d7sA1 HIS 389 HD2 0.32 -0.09 -0.08 -0.04 6.97 7.07 2d7sA1 HIS 389 HE1 0.16 -0.30 -0.90 -0.04 7.75 6.67 2d7sA1 PHE 390 H 0.52 0.31 0.13 -0.55 8.34 8.75 2d7sA1 PHE 390 HA 0.43 0.12 0.68 -0.75 4.62 5.10 2d7sA1 PHE 390 HB2 0.02 0.31 0.22 -0.04 3.15 3.66 2d7sA1 PHE 390 HB3 0.02 -0.05 -0.03 -0.04 3.06 2.95 2d7sA1 PHE 390 HD2 -0.24 0.05 -0.03 -0.04 7.28 7.02 2d7sA1 PHE 390 HE2 -0.73 -0.07 -0.08 -0.04 7.38 6.45 2d7sA1 PHE 390 HZ -1.28 -0.04 -0.15 -0.04 7.32 5.81 2d7sA1 HIS 391 H 0.35 0.62 0.22 -0.55 8.41 9.05 2d7sA1 HIS 391 HA 0.08 0.16 1.00 -0.75 4.63 5.11 2d7sA1 HIS 391 HB2 0.07 0.16 0.08 -0.04 3.26 3.53 2d7sA1 HIS 391 HB3 0.09 0.03 -0.13 -0.04 3.20 3.14 2d7sA1 HIS 391 HD2 -0.44 0.03 -0.48 -0.04 6.97 6.04 2d7sA1 HIS 391 HE1 0.05 -0.05 -0.04 -0.04 7.75 7.67 2d7sA1 MET 392 H 0.12 0.15 0.11 -0.55 8.47 8.30 2d7sA1 MET 392 HA -0.05 0.09 0.31 -0.75 4.52 4.12 2d7sA1 MET 392 HB2 -0.09 0.05 -0.00 -0.04 2.15 2.07 2d7sA1 MET 392 HB3 0.09 -0.04 0.10 -0.04 2.03 2.14 2d7sA1 MET 392 HG2 -0.27 -0.00 -0.13 -0.04 2.63 2.19 2d7sA1 MET 392 HG3 -0.14 -0.10 -0.58 -0.04 2.56 1.69 2d7sA1 MET 392 HE3 -0.27 0.00 -0.04 -0.04 2.10 1.75 2d7sA1 ASP 393 H 0.16 0.71 0.06 -0.55 8.40 8.79 2d7sA1 ASP 393 HA 0.26 0.10 0.57 -0.75 4.63 4.82 2d7sA1 ASP 393 HB2 0.34 0.16 0.04 -0.04 2.71 3.21 2d7sA1 ASP 393 HB3 0.40 -0.04 0.26 -0.04 2.70 3.28 2d7sA1 TYR 394 H 0.50 0.31 0.16 -0.55 8.29 8.71 2d7sA1 TYR 394 HA 0.02 0.09 0.26 -0.75 4.56 4.18 2d7sA1 TYR 394 HB2 0.04 -0.02 0.09 -0.04 3.06 3.13 2d7sA1 TYR 394 HB3 0.02 0.02 0.16 -0.04 2.98 3.14 2d7sA1 TYR 394 HD2 0.01 0.09 0.04 -0.04 7.15 7.24 2d7sA1 TYR 394 HE2 -0.04 -0.01 0.02 -0.04 6.85 6.79 2d7sA1 GLY 395 H 0.26 -0.08 -1.01 -0.55 8.43 7.05 2d7sA1 GLY 395 HA2 0.14 0.25 0.94 -0.51 4.01 4.83 2d7sA1 GLY 395 HA3 0.23 -0.01 0.21 -0.51 4.01 3.93 2d7sA1 THR 396 H 0.25 0.08 0.14 -0.55 8.28 8.21 2d7sA1 THR 396 HA 0.08 0.29 0.92 -0.75 4.39 4.93 2d7sA1 THR 396 HB 0.45 0.04 0.14 -0.04 4.32 4.91 2d7sA1 THR 396 HG23 0.35 0.00 -0.17 -0.04 1.22 1.36 2d7sA1 GLY 397 H 0.03 0.54 0.21 -0.55 8.43 8.67 2d7sA1 GLY 397 HA2 -0.16 0.00 0.26 -0.51 4.01 3.60 2d7sA1 GLY 397 HA3 -0.28 0.11 0.44 -0.51 4.01 3.76 2d7sA1 PHE 398 H 0.07 -0.06 -0.61 -0.55 8.34 7.19 2d7sA1 PHE 398 HA 0.06 0.13 0.60 -0.75 4.62 4.66 2d7sA1 PHE 398 HB2 0.24 -0.06 -0.01 -0.04 3.15 3.28 2d7sA1 PHE 398 HB3 0.17 0.07 0.06 -0.04 3.06 3.32 2d7sA1 PHE 398 HD2 0.03 -0.07 -0.00 -0.04 7.28 7.20 2d7sA1 PHE 398 HE2 -0.03 -0.02 0.01 -0.04 7.38 7.30 2d7sA1 PHE 398 HZ -0.03 -0.06 0.00 -0.04 7.32 7.19 2d7sA1 TYR 399 H 0.57 0.09 0.12 -0.55 8.29 8.52 2d7sA1 TYR 399 HA 0.31 0.17 0.52 -0.75 4.56 4.81 2d7sA1 TYR 399 HB2 0.39 0.01 -0.20 -0.04 3.06 3.22 2d7sA1 TYR 399 HB3 0.44 -0.00 -0.14 -0.04 2.98 3.24 2d7sA1 TYR 399 HD2 0.25 -0.04 -0.14 -0.04 7.15 7.18 2d7sA1 TYR 399 HE2 0.10 0.00 -0.16 -0.04 6.85 6.75 2d7sA1 LYS 400 H 0.40 0.64 0.30 -0.55 8.42 9.20 2d7sA1 LYS 400 HA 0.09 0.19 0.71 -0.75 4.32 4.55 2d7sA1 LYS 400 HB2 -0.83 0.04 -0.01 -0.04 1.87 1.03 2d7sA1 LYS 400 HB3 -0.15 0.01 -0.16 -0.04 1.79 1.45 2d7sA1 LYS 400 HG2 0.15 0.11 -0.10 -0.04 1.46 1.58 2d7sA1 LYS 400 HG3 0.01 -0.01 -0.13 -0.04 1.46 1.29 2d7sA1 LYS 400 HD2 -0.08 0.00 -0.05 -0.04 1.69 1.52 2d7sA1 LYS 400 HD3 -0.14 -0.06 -0.08 -0.04 1.68 1.37 2d7sA1 LYS 400 HE2 0.17 -0.07 -0.11 -0.04 2.99 2.93 2d7sA1 LYS 400 HE3 0.12 0.17 -0.04 -0.04 2.99 3.19 2d7sA1 PRO 401 HA -0.29 0.30 0.61 -0.51 4.44 4.55 2d7sA1 PRO 401 HB2 -0.78 -0.01 -0.09 -0.04 2.28 1.36 2d7sA1 PRO 401 HB3 -2.26 0.02 -0.04 -0.04 2.02 -0.29 2d7sA1 PRO 401 HG2 -0.61 0.03 0.15 -0.04 2.03 1.57 2d7sA1 PRO 401 HG3 -0.66 -0.02 -0.12 -0.04 2.03 1.19 2d7sA1 PRO 401 HD2 -0.95 0.10 0.22 -0.04 3.68 3.01 2d7sA1 PRO 401 HD3 -0.49 0.17 0.09 -0.04 3.65 3.38 2d7sA1 VAL 402 H -0.10 0.47 0.29 -0.55 8.24 8.35 2d7sA1 VAL 402 HA -0.09 0.21 0.91 -0.75 4.13 4.41 2d7sA1 VAL 402 HB -0.22 -0.02 -0.15 -0.04 2.12 1.70 2d7sA1 VAL 402 HG13 -0.11 0.04 -0.26 -0.04 0.97 0.60 2d7sA1 VAL 402 HG23 -0.70 0.01 0.01 -0.04 0.95 0.23 2d7sA1 MET 403 H -0.08 0.25 0.07 -0.55 8.47 8.16 2d7sA1 MET 403 HA -0.06 0.24 0.86 -0.75 4.52 4.81 2d7sA1 MET 403 HB2 -0.09 -0.03 -0.00 -0.04 2.15 1.99 2d7sA1 MET 403 HB3 -0.09 -0.03 -0.05 -0.04 2.03 1.82 2d7sA1 MET 403 HG2 -0.10 0.33 -0.08 -0.04 2.63 2.74 2d7sA1 MET 403 HG3 -0.12 -0.03 -0.15 -0.04 2.56 2.22 2d7sA1 MET 403 HE3 -0.10 0.01 -0.09 -0.04 2.10 1.87 2d7sA1 ALA 404 H -0.04 0.19 0.11 -0.55 8.40 8.11 2d7sA1 ALA 404 HA -0.03 0.05 0.34 -0.75 4.34 3.94 2d7sA1 ALA 404 HB3 -0.02 0.00 0.10 -0.04 1.41 1.45 2d7sA1 SER 405 H -0.05 0.16 0.18 -0.55 8.46 8.21 2d7sA1 SER 405 HA -0.12 0.14 0.38 -0.75 4.49 4.14 2d7sA1 SER 405 HB2 -0.07 -0.07 0.13 -0.04 3.95 3.90 2d7sA1 SER 405 HB3 -0.13 0.05 0.02 -0.04 3.93 3.84 2d7sA1 LYS 406 H -0.06 0.08 -0.23 -0.55 8.42 7.66 2d7sA1 LYS 406 HA -0.10 0.10 0.33 -0.75 4.32 3.89 2d7sA1 LYS 406 HB2 0.02 -0.06 0.03 -0.04 1.87 1.83 2d7sA1 LYS 406 HB3 0.09 0.03 -0.02 -0.04 1.79 1.85 2d7sA1 LYS 406 HG2 -0.01 -0.06 0.04 -0.04 1.46 1.39 2d7sA1 LYS 406 HG3 0.03 0.05 0.02 -0.04 1.46 1.51 2d7sA1 LYS 406 HD2 0.01 0.06 0.01 -0.04 1.69 1.72 2d7sA1 LYS 406 HD3 -0.05 -0.05 -0.03 -0.04 1.68 1.51 2d7sA1 LYS 406 HE2 -0.01 -0.04 0.01 -0.04 2.99 2.90 2d7sA1 LYS 406 HE3 0.01 0.02 0.01 -0.04 2.99 2.98 2d7sA1 THR 407 H -0.08 0.11 -0.21 -0.55 8.28 7.55 2d7sA1 THR 407 HA -0.40 -0.01 0.29 -0.75 4.39 3.51 2d7sA1 THR 407 HB -0.09 0.05 0.06 -0.04 4.32 4.30 2d7sA1 THR 407 HG23 -0.14 0.02 -0.26 -0.04 1.22 0.79 2d7sA1 LEU 408 H -0.17 0.44 -0.45 -0.55 8.37 7.64 2d7sA1 LEU 408 HA -0.17 0.03 0.45 -0.75 4.35 3.90 2d7sA1 LEU 408 HB2 -0.19 0.15 0.12 -0.04 1.64 1.68 2d7sA1 LEU 408 HB3 -0.21 -0.02 -0.08 -0.04 1.64 1.29 2d7sA1 LEU 408 HG -0.11 -0.02 -0.20 -0.04 1.64 1.27 2d7sA1 LEU 408 HD13 -0.08 -0.01 -0.08 -0.04 0.93 0.72 2d7sA1 LEU 408 HD23 -0.10 -0.01 -0.10 -0.04 0.89 0.64 2d7sA1 GLU 409 H -0.30 0.66 0.04 -0.55 8.60 8.46 2d7sA1 GLU 409 HA -0.46 0.05 0.34 -0.75 4.29 3.46 2d7sA1 GLU 409 HB2 -0.29 0.11 0.10 -0.04 2.09 1.96 2d7sA1 GLU 409 HB3 -0.63 -0.06 -0.02 -0.04 1.99 1.25 2d7sA1 GLU 409 HG2 -1.10 0.00 -0.00 -0.04 2.34 1.21 2d7sA1 GLU 409 HG3 -0.43 0.26 -0.02 -0.04 2.34 2.11 2d7sA1 ALA 410 H -0.27 0.41 -0.43 -0.55 8.40 7.57 2d7sA1 ALA 410 HA -0.05 -0.00 0.31 -0.75 4.34 3.85 2d7sA1 ALA 410 HB3 -0.59 0.04 -0.05 -0.04 1.41 0.77 2d7sA1 ILE 411 H -0.17 0.40 -0.26 -0.55 8.25 7.67 2d7sA1 ILE 411 HA -0.02 0.01 0.43 -0.75 4.18 3.84 2d7sA1 ILE 411 HB -0.11 0.15 0.10 -0.04 1.89 1.98 2d7sA1 ILE 411 HG12 -0.10 -0.09 0.02 -0.04 1.49 1.28 2d7sA1 ILE 411 HG13 -0.17 0.30 0.20 -0.04 1.21 1.50 2d7sA1 ILE 411 HG23 -0.05 -0.03 -0.04 -0.04 0.93 0.77 2d7sA1 ILE 411 HD13 -0.10 -0.03 -0.02 -0.04 0.88 0.68 2d7sA1 LEU 412 H -0.11 0.40 -0.25 -0.55 8.37 7.86 2d7sA1 LEU 412 HA -0.03 0.04 0.45 -0.75 4.35 4.07 2d7sA1 LEU 412 HB2 -0.03 0.10 0.03 -0.04 1.64 1.70 2d7sA1 LEU 412 HB3 0.11 -0.06 0.05 -0.04 1.64 1.70 2d7sA1 LEU 412 HG -0.22 0.06 -0.08 -0.04 1.64 1.36 2d7sA1 LEU 412 HD13 -0.48 0.04 -0.09 -0.04 0.93 0.35 2d7sA1 LEU 412 HD23 -0.28 -0.02 -0.12 -0.04 0.89 0.43 2d7sA1 SER 413 H -0.04 0.33 -0.47 -0.55 8.46 7.73 2d7sA1 SER 413 HA -0.08 -0.11 0.63 -0.75 4.49 4.18 2d7sA1 SER 413 HB2 -0.24 0.13 0.07 -0.04 3.95 3.87 2d7sA1 SER 413 HB3 -0.50 -0.10 0.11 -0.04 3.93 3.40 2d7sA1 PHE 414 H 0.07 0.38 -0.31 -0.55 8.34 7.93 2d7sA1 PHE 414 HA 0.07 0.28 0.72 -0.75 4.62 4.94 2d7sA1 PHE 414 HB2 0.04 0.03 -0.02 -0.04 3.15 3.16 2d7sA1 PHE 414 HB3 0.05 -0.13 -0.22 -0.04 3.06 2.72 2d7sA1 PHE 414 HD2 0.07 0.01 -0.28 -0.04 7.28 7.04 2d7sA1 PHE 414 HE2 0.12 0.03 -0.11 -0.04 7.38 7.37 2d7sA1 PHE 414 HZ 0.29 0.09 0.05 -0.04 7.32 7.71 2d7sA1 ALA 415 H 0.15 0.77 0.21 -0.55 8.40 8.98 2d7sA1 ALA 415 HA 0.07 0.09 0.74 -0.75 4.34 4.49 2d7sA1 ALA 415 HB3 0.03 0.02 -0.08 -0.04 1.41 1.34 2d7sA1 ARG 416 H 0.05 0.11 0.12 -0.55 8.46 8.19 2d7sA1 ARG 416 HA 0.06 0.41 0.62 -0.75 4.34 4.67 2d7sA1 ARG 416 HB2 0.04 0.00 0.06 -0.04 1.90 1.96 2d7sA1 ARG 416 HB3 0.04 -0.04 -0.04 -0.04 1.80 1.71 2d7sA1 ARG 416 HG2 0.03 -0.01 0.07 -0.04 1.67 1.71 2d7sA1 ARG 416 HG3 0.03 -0.12 0.06 -0.04 1.67 1.60 2d7sA1 ARG 416 HD2 0.03 0.01 -0.00 -0.04 3.22 3.21 2d7sA1 ARG 416 HD3 0.02 -0.01 0.00 -0.04 3.22 3.19 2d7sA1 ARG 417 H 0.05 0.20 0.22 -0.55 8.46 8.38 2d7sA1 ARG 417 HA 0.06 -0.00 0.38 -0.75 4.34 4.02 2d7sA1 ARG 417 HB2 0.05 0.01 0.09 -0.04 1.90 2.01 2d7sA1 ARG 417 HB3 0.04 0.06 0.20 -0.04 1.80 2.06 2d7sA1 ARG 417 HG2 0.04 -0.02 0.10 -0.04 1.67 1.74 2d7sA1 ARG 417 HG3 0.04 0.00 -0.01 -0.04 1.67 1.66 2d7sA1 ARG 417 HD2 0.03 0.02 0.04 -0.04 3.22 3.28 2d7sA1 ARG 417 HD3 0.03 -0.01 0.01 -0.04 3.22 3.22 2d7sA1 GLY 418 H 0.08 0.13 0.17 -0.55 8.43 8.27 2d7sA1 GLY 418 HA2 0.11 0.01 0.41 -0.51 4.01 4.03 2d7sA1 GLY 418 HA3 0.06 0.15 0.46 -0.51 4.01 4.18 2d7sA1 THR 419 H 0.03 0.54 -0.29 -0.55 8.28 8.02 2d7sA1 THR 419 HA 0.01 0.13 0.59 -0.75 4.39 4.37 2d7sA1 THR 419 HB 0.00 -0.02 -0.02 -0.04 4.32 4.24 2d7sA1 THR 419 HG23 -0.00 -0.03 0.06 -0.04 1.22 1.21 2d7sA1 ILE 420 H -0.01 0.11 -0.15 -0.55 8.25 7.65 2d7sA1 ILE 420 HA -0.14 0.08 0.30 -0.75 4.18 3.67 2d7sA1 ILE 420 HB -0.49 0.02 -0.00 -0.04 1.89 1.38 2d7sA1 ILE 420 HG12 0.02 0.10 0.01 -0.04 1.49 1.59 2d7sA1 ILE 420 HG13 0.05 -0.19 0.02 -0.04 1.21 1.05 2d7sA1 ILE 420 HG23 -0.28 0.03 -0.03 -0.04 0.93 0.61 2d7sA1 ILE 420 HD13 0.27 0.02 0.04 -0.04 0.88 1.17 2d7sA1 GLN 421 H -0.10 0.17 -0.29 -0.55 8.47 7.71 2d7sA1 GLN 421 HA -0.29 0.06 0.37 -0.75 4.36 3.75 2d7sA1 GLN 421 HB2 0.31 0.02 0.10 -0.04 2.15 2.54 2d7sA1 GLN 421 HB3 0.08 0.05 0.05 -0.04 2.02 2.16 2d7sA1 GLN 421 HG2 0.13 0.02 0.01 -0.04 2.40 2.52 2d7sA1 GLN 421 HG3 0.04 0.02 -0.18 -0.04 2.39 2.24 2d7sA1 GLN 421 HE21 0.02 0.14 0.13 -0.04 6.97 7.22 2d7sA1 GLN 421 HE22 -0.03 -0.01 0.28 -0.04 7.69 7.89 2d7sA1 GLU 422 H -0.04 0.42 -0.05 -0.55 8.60 8.38 2d7sA1 GLU 422 HA -0.03 0.13 0.72 -0.75 4.29 4.36 2d7sA1 GLU 422 HB2 -0.01 0.01 0.12 -0.04 2.09 2.16 2d7sA1 GLU 422 HB3 -0.01 0.00 0.14 -0.04 1.99 2.08 2d7sA1 GLU 422 HG2 -0.02 0.07 0.07 -0.04 2.34 2.42 2d7sA1 GLU 422 HG3 -0.02 -0.04 -0.24 -0.04 2.34 1.99 2d7sA1 LYS 423 H -0.08 0.50 -0.04 -0.55 8.42 8.25 2d7sA1 LYS 423 HA -0.05 0.02 0.50 -0.75 4.32 4.04 2d7sA1 LYS 423 HB2 -0.07 0.04 -0.02 -0.04 1.87 1.77 2d7sA1 LYS 423 HB3 -0.07 0.07 -0.09 -0.04 1.79 1.65 2d7sA1 LYS 423 HG2 -0.02 0.03 -0.01 -0.04 1.46 1.41 2d7sA1 LYS 423 HG3 -0.03 -0.01 0.03 -0.04 1.46 1.41 2d7sA1 LYS 423 HD2 -0.03 -0.04 -0.08 -0.04 1.69 1.51 2d7sA1 LYS 423 HD3 -0.02 -0.00 -0.04 -0.04 1.68 1.57 2d7sA1 LYS 423 HE2 -0.00 -0.01 0.01 -0.04 2.99 2.94 2d7sA1 LYS 423 HE3 -0.02 0.02 0.00 -0.04 2.99 2.95 2d7sA1 LEU 424 H -0.17 0.91 0.05 -0.55 8.37 8.61 2d7sA1 LEU 424 HA -0.08 0.01 0.28 -0.75 4.35 3.81 2d7sA1 LEU 424 HB2 -0.26 0.07 0.06 -0.04 1.64 1.47 2d7sA1 LEU 424 HB3 -0.22 0.01 -0.07 -0.04 1.64 1.32 2d7sA1 LEU 424 HG -0.50 0.04 -0.02 -0.04 1.64 1.12 2d7sA1 LEU 424 HD13 -0.71 -0.03 -0.15 -0.04 0.93 0.01 2d7sA1 LEU 424 HD23 -0.73 -0.01 -0.04 -0.04 0.89 0.08 2d7sA1 ILE 425 H -0.08 0.15 -0.85 -0.55 8.25 6.93 2d7sA1 ILE 425 HA -0.08 0.08 0.53 -0.75 4.18 3.96 2d7sA1 ILE 425 HB -0.04 0.14 0.18 -0.04 1.89 2.13 2d7sA1 ILE 425 HG12 -0.05 -0.03 0.03 -0.04 1.49 1.40 2d7sA1 ILE 425 HG13 -0.06 0.27 0.15 -0.04 1.21 1.52 2d7sA1 ILE 425 HG23 -0.04 -0.02 -0.07 -0.04 0.93 0.76 2d7sA1 ILE 425 HD13 -0.02 -0.05 0.07 -0.04 0.88 0.83 2d7sA1 SER 426 H -0.04 0.50 0.12 -0.55 8.46 8.50 2d7sA1 SER 426 HA -0.03 0.02 0.41 -0.75 4.49 4.13 2d7sA1 SER 426 HB2 -0.03 0.01 0.16 -0.04 3.95 4.05 2d7sA1 SER 426 HB3 -0.03 0.00 0.30 -0.04 3.93 4.16 2d7sA1 VAL 427 H -0.02 0.81 0.04 -0.55 8.24 8.51 2d7sA1 VAL 427 HA -0.02 -0.03 0.33 -0.75 4.13 3.66 2d7sA1 VAL 427 HB 0.02 0.08 -0.09 -0.04 2.12 2.08 2d7sA1 VAL 427 HG13 -0.05 -0.01 -0.16 -0.04 0.97 0.70 2d7sA1 VAL 427 HG23 -0.05 0.01 -0.05 -0.04 0.95 0.82 2d7sA1 ALA 428 H 0.05 0.30 -0.72 -0.55 8.40 7.49 2d7sA1 ALA 428 HA 0.37 -0.05 0.32 -0.75 4.34 4.23 2d7sA1 ALA 428 HB3 -0.12 0.12 0.16 -0.04 1.41 1.53 2d7sA1 GLY 429 H -0.00 0.56 -0.27 -0.55 8.43 8.18 2d7sA1 GLY 429 HA2 -0.07 -0.03 0.37 -0.51 4.01 3.77 2d7sA1 GLY 429 HA3 -0.04 0.05 0.31 -0.51 4.01 3.82 2d7sA1 LEU 430 H -0.01 0.30 -0.21 -0.55 8.37 7.90 2d7sA1 LEU 430 HA -0.04 0.04 0.42 -0.75 4.35 4.02 2d7sA1 LEU 430 HB2 -0.03 0.13 0.09 -0.04 1.64 1.79 2d7sA1 LEU 430 HB3 -0.06 -0.06 0.02 -0.04 1.64 1.49 2d7sA1 LEU 430 HG -0.04 0.10 0.03 -0.04 1.64 1.69 2d7sA1 LEU 430 HD13 -0.06 -0.02 -0.03 -0.04 0.93 0.78 2d7sA1 LEU 430 HD23 -0.08 -0.01 -0.05 -0.04 0.89 0.70 2d7sA1 ALA 431 H 0.07 0.45 -0.17 -0.55 8.40 8.21 2d7sA1 ALA 431 HA 0.02 0.05 0.54 -0.75 4.34 4.20 2d7sA1 ALA 431 HB3 0.18 0.01 0.01 -0.04 1.41 1.57 2d7sA1 VAL 432 H -0.10 0.44 -0.31 -0.55 8.24 7.73 2d7sA1 VAL 432 HA -0.01 0.02 0.35 -0.75 4.13 3.74 2d7sA1 VAL 432 HB -0.30 0.09 0.07 -0.04 2.12 1.94 2d7sA1 VAL 432 HG13 -0.87 0.09 -0.10 -0.04 0.97 0.05 2d7sA1 VAL 432 HG23 -0.44 -0.05 -0.04 -0.04 0.95 0.38 2d7sA1 HIS 433 H -0.33 0.32 -0.40 -0.55 8.41 7.45 2d7sA1 HIS 433 HA -0.14 0.05 0.49 -0.75 4.63 4.28 2d7sA1 HIS 433 HB2 -0.17 0.17 -0.02 -0.04 3.26 3.20 2d7sA1 HIS 433 HB3 -0.18 -0.08 -0.12 -0.04 3.20 2.78 2d7sA1 HIS 433 HD2 -0.24 0.23 0.15 -0.04 6.97 7.06 2d7sA1 HIS 433 HE1 -1.64 -0.02 0.01 -0.04 7.75 6.06 2d7sA1 SER 434 H 0.06 0.56 -0.43 -0.55 8.46 8.10 2d7sA1 SER 434 HA 0.02 0.08 0.54 -0.75 4.49 4.37 2d7sA1 SER 434 HB2 0.06 0.28 0.02 -0.04 3.95 4.27 2d7sA1 SER 434 HB3 0.01 -0.16 0.09 -0.04 3.93 3.82 2d7sA1 GLY 435 H 0.10 0.24 -0.60 -0.55 8.43 7.62 2d7sA1 GLY 435 HA2 0.04 0.07 0.26 -0.51 4.01 3.88 2d7sA1 GLY 435 HA3 -0.02 0.09 0.74 -0.51 4.01 4.30 2d7sA1 PRO 436 HA -1.26 0.15 0.62 -0.51 4.44 3.44 2d7sA1 PRO 436 HB2 -0.32 0.04 0.03 -0.04 2.28 1.99 2d7sA1 PRO 436 HB3 -0.88 0.03 0.10 -0.04 2.02 1.22 2d7sA1 PRO 436 HG2 -0.18 0.08 0.08 -0.04 2.03 1.98 2d7sA1 PRO 436 HG3 -0.34 0.09 0.05 -0.04 2.03 1.78 2d7sA1 PRO 436 HD2 -0.16 0.01 0.26 -0.04 3.68 3.75 2d7sA1 PRO 436 HD3 -0.10 0.17 0.24 -0.04 3.65 3.92 2d7sA1 ASP 437 H -0.14 0.19 0.06 -0.55 8.40 7.96 2d7sA1 ASP 437 HA -0.05 0.10 0.45 -0.75 4.63 4.38 2d7sA1 ASP 437 HB2 -0.04 0.03 0.08 -0.04 2.71 2.75 2d7sA1 ASP 437 HB3 -0.03 0.05 0.04 -0.04 2.70 2.72 2d7sA1 GLU 438 H -0.03 0.21 -0.18 -0.55 8.60 8.06 2d7sA1 GLU 438 HA -0.01 0.06 0.41 -0.75 4.29 4.00 2d7sA1 GLU 438 HB2 -0.01 0.05 0.10 -0.04 2.09 2.19 2d7sA1 GLU 438 HB3 0.01 0.12 -0.13 -0.04 1.99 1.96 2d7sA1 GLU 438 HG2 -0.04 -0.00 0.04 -0.04 2.34 2.30 2d7sA1 GLU 438 HG3 -0.06 -0.03 0.07 -0.04 2.34 2.28 2d7sA1 TYR 439 H 0.09 0.10 -0.77 -0.55 8.29 7.15 2d7sA1 TYR 439 HA 0.14 0.10 0.31 -0.75 4.56 4.36 2d7sA1 TYR 439 HB2 0.04 0.34 0.11 -0.04 3.06 3.51 2d7sA1 TYR 439 HB3 -0.10 0.02 0.14 -0.04 2.98 3.00 2d7sA1 TYR 439 HD2 0.12 0.00 -0.25 -0.04 7.15 6.98 2d7sA1 TYR 439 HE2 -0.06 0.08 -0.09 -0.04 6.85 6.74 2d7sA1 ARG 440 H 0.11 0.51 -0.10 -0.55 8.46 8.43 2d7sA1 ARG 440 HA 0.09 0.01 0.34 -0.75 4.34 4.02 2d7sA1 ARG 440 HB2 0.06 0.02 0.16 -0.04 1.90 2.10 2d7sA1 ARG 440 HB3 0.03 0.11 0.21 -0.04 1.80 2.11 2d7sA1 ARG 440 HG2 0.03 -0.01 -0.02 -0.04 1.67 1.63 2d7sA1 ARG 440 HG3 0.05 -0.02 -0.14 -0.04 1.67 1.53 2d7sA1 ARG 440 HD2 0.07 -0.01 0.02 -0.04 3.22 3.25 2d7sA1 ARG 440 HD3 0.05 -0.02 0.03 -0.04 3.22 3.24 2d7sA1 ARG 441 H 0.03 0.55 -0.16 -0.55 8.46 8.34 2d7sA1 ARG 441 HA 0.06 0.00 0.36 -0.75 4.34 4.02 2d7sA1 ARG 441 HB2 0.03 0.04 0.11 -0.04 1.90 2.03 2d7sA1 ARG 441 HB3 0.01 0.03 0.08 -0.04 1.80 1.88 2d7sA1 ARG 441 HG2 0.14 0.03 -0.17 -0.04 1.67 1.63 2d7sA1 ARG 441 HG3 0.07 -0.02 0.01 -0.04 1.67 1.68 2d7sA1 ARG 441 HD2 0.05 0.00 -0.04 -0.04 3.22 3.19 2d7sA1 ARG 441 HD3 0.02 -0.03 -0.04 -0.04 3.22 3.13 2d7sA1 LEU 442 H -0.04 0.56 -0.29 -0.55 8.37 8.06 2d7sA1 LEU 442 HA -0.09 0.00 0.37 -0.75 4.35 3.87 2d7sA1 LEU 442 HB2 -0.32 0.14 0.09 -0.04 1.64 1.51 2d7sA1 LEU 442 HB3 -0.59 -0.08 -0.02 -0.04 1.64 0.92 2d7sA1 LEU 442 HG -0.15 0.14 0.09 -0.04 1.64 1.68 2d7sA1 LEU 442 HD13 -0.15 -0.03 -0.06 -0.04 0.93 0.65 2d7sA1 LEU 442 HD23 -0.44 -0.04 -0.03 -0.04 0.89 0.34 2d7sA1 PHE 443 H 0.08 0.32 -0.46 -0.55 8.34 7.73 2d7sA1 PHE 443 HA 0.31 0.16 0.82 -0.75 4.62 5.15 2d7sA1 PHE 443 HB2 -0.20 0.08 -0.03 -0.04 3.15 2.96 2d7sA1 PHE 443 HB3 -0.06 -0.13 -0.03 -0.04 3.06 2.80 2d7sA1 PHE 443 HD2 -0.63 0.19 -0.05 -0.04 7.28 6.75 2d7sA1 PHE 443 HE2 -0.38 -0.03 -0.06 -0.04 7.38 6.86 2d7sA1 PHE 443 HZ -0.15 -0.05 -0.22 -0.04 7.32 6.86 2d7sA1 GLU 444 H 0.15 0.41 0.01 -0.55 8.60 8.63 2d7sA1 GLU 444 HA 0.11 -0.10 0.37 -0.75 4.29 3.92 2d7sA1 GLU 444 HB2 0.07 0.01 0.05 -0.04 2.09 2.18 2d7sA1 GLU 444 HB3 0.05 0.15 0.11 -0.04 1.99 2.26 2d7sA1 GLU 444 HG2 0.01 -0.02 -0.04 -0.04 2.34 2.25 2d7sA1 GLU 444 HG3 0.01 -0.02 -0.23 -0.04 2.34 2.06 2d7sA1 PRO 445 HA -0.10 0.08 0.48 -0.51 4.44 4.39 2d7sA1 PRO 445 HB2 -0.39 0.01 0.05 -0.04 2.28 1.92 2d7sA1 PRO 445 HB3 -0.24 0.01 0.01 -0.04 2.02 1.76 2d7sA1 PRO 445 HG2 -0.33 0.01 -0.23 -0.04 2.03 1.45 2d7sA1 PRO 445 HG3 -0.44 0.02 -0.07 -0.04 2.03 1.50 2d7sA1 PRO 445 HD2 0.16 0.06 -0.61 -0.04 3.68 3.25 2d7sA1 PRO 445 HD3 -0.02 0.11 -0.03 -0.04 3.65 3.67 2d7sA1 PHE 446 H 0.18 0.25 -0.43 -0.55 8.34 7.78 2d7sA1 PHE 446 HA 0.13 0.13 0.83 -0.75 4.62 4.96 2d7sA1 PHE 446 HB2 0.16 0.27 -0.03 -0.04 3.15 3.52 2d7sA1 PHE 446 HB3 0.22 -0.17 -0.09 -0.04 3.06 2.97 2d7sA1 PHE 446 HD2 0.16 0.01 -0.10 -0.04 7.28 7.32 2d7sA1 PHE 446 HE2 -0.04 0.01 -0.01 -0.04 7.38 7.30 2d7sA1 PHE 446 HZ -0.03 0.07 0.02 -0.04 7.32 7.34 2d7sA1 GLN 447 H 0.16 0.21 0.15 -0.55 8.47 8.45 2d7sA1 GLN 447 HA 0.12 0.01 0.41 -0.75 4.36 4.15 2d7sA1 GLN 447 HB2 0.05 0.04 0.06 -0.04 2.15 2.26 2d7sA1 GLN 447 HB3 0.06 -0.05 0.12 -0.04 2.02 2.11 2d7sA1 GLN 447 HG2 0.09 0.36 0.24 -0.04 2.40 3.05 2d7sA1 GLN 447 HG3 0.06 -0.04 0.09 -0.04 2.39 2.46 2d7sA1 GLN 447 HE21 0.17 -0.03 -0.22 -0.04 6.97 6.85 2d7sA1 GLN 447 HE22 0.17 0.10 -0.13 -0.04 7.69 7.78 2d7sA1 GLY 448 H 0.05 0.14 0.21 -0.55 8.43 8.28 2d7sA1 GLY 448 HA2 0.01 -0.01 0.37 -0.51 4.01 3.86 2d7sA1 GLY 448 HA3 0.01 0.08 0.41 -0.51 4.01 4.00 2d7sA1 LEU 449 H 0.07 0.23 -0.54 -0.55 8.37 7.59 2d7sA1 LEU 449 HA -0.17 0.14 0.91 -0.75 4.35 4.48 2d7sA1 LEU 449 HB2 0.21 0.13 0.02 -0.04 1.64 1.96 2d7sA1 LEU 449 HB3 -0.14 -0.13 0.07 -0.04 1.64 1.41 2d7sA1 LEU 449 HG 0.03 0.35 -0.25 -0.04 1.64 1.73 2d7sA1 LEU 449 HD13 0.01 -0.03 -0.05 -0.04 0.93 0.82 2d7sA1 LEU 449 HD23 -0.05 0.00 -0.15 -0.04 0.89 0.65 2d7sA1 PHE 450 H 0.15 0.12 0.11 -0.55 8.34 8.18 2d7sA1 PHE 450 HA 0.04 0.14 0.59 -0.75 4.62 4.64 2d7sA1 PHE 450 HB2 0.12 0.05 -0.17 -0.04 3.15 3.11 2d7sA1 PHE 450 HB3 0.02 -0.03 -0.01 -0.04 3.06 2.99 2d7sA1 PHE 450 HD2 0.18 -0.01 -0.05 -0.04 7.28 7.36 2d7sA1 PHE 450 HE2 0.10 -0.05 0.00 -0.04 7.38 7.40 2d7sA1 PHE 450 HZ 0.07 -0.08 0.01 -0.04 7.32 7.28 2d7sA1 GLU 451 H 0.24 0.18 0.07 -0.55 8.60 8.55 2d7sA1 GLU 451 HA 0.06 0.09 0.68 -0.75 4.29 4.37 2d7sA1 GLU 451 HB2 0.06 -0.00 0.03 -0.04 2.09 2.14 2d7sA1 GLU 451 HB3 0.06 0.02 0.16 -0.04 1.99 2.20 2d7sA1 GLU 451 HG2 0.01 0.01 -0.30 -0.04 2.34 2.02 2d7sA1 GLU 451 HG3 0.02 -0.00 -0.07 -0.04 2.34 2.26 2d7sA1 ILE 452 H 0.03 0.17 0.05 -0.55 8.25 7.95 2d7sA1 ILE 452 HA -0.15 0.26 0.73 -0.75 4.18 4.26 2d7sA1 ILE 452 HB 0.01 -0.08 0.05 -0.04 1.89 1.83 2d7sA1 ILE 452 HG12 0.09 0.05 -0.16 -0.04 1.49 1.43 2d7sA1 ILE 452 HG13 -0.04 0.07 -0.24 -0.04 1.21 0.95 2d7sA1 ILE 452 HG23 -0.26 0.03 -0.26 -0.04 0.93 0.40 2d7sA1 ILE 452 HD13 0.14 -0.08 -0.41 -0.04 0.88 0.50 2d7sA1 PRO 453 HA -0.02 -0.06 0.35 -0.51 4.44 4.21 2d7sA1 PRO 453 HB2 -0.03 0.04 -0.02 -0.04 2.28 2.23 2d7sA1 PRO 453 HB3 -0.04 0.01 -0.02 -0.04 2.02 1.93 2d7sA1 PRO 453 HG2 -0.09 0.07 0.05 -0.04 2.03 2.02 2d7sA1 PRO 453 HG3 -0.06 0.02 -0.00 -0.04 2.03 1.95 2d7sA1 PRO 453 HD2 -0.29 0.12 0.12 -0.04 3.68 3.59 2d7sA1 PRO 453 HD3 -0.15 0.37 0.24 -0.04 3.65 4.08 2d7sA1 SER 454 H 0.01 0.07 0.18 -0.55 8.46 8.17 2d7sA1 SER 454 HA 0.08 0.12 0.41 -0.75 4.49 4.34 2d7sA1 SER 454 HB2 0.03 -0.06 0.13 -0.04 3.95 4.02 2d7sA1 SER 454 HB3 0.03 0.14 0.17 -0.04 3.93 4.22 2d7sA1 TYR 455 H 0.14 0.17 0.18 -0.55 8.29 8.23 2d7sA1 TYR 455 HA -0.62 0.18 0.37 -0.75 4.56 3.73 2d7sA1 TYR 455 HB2 -0.13 0.08 0.16 -0.04 3.06 3.12 2d7sA1 TYR 455 HB3 -0.09 -0.06 0.12 -0.04 2.98 2.90 2d7sA1 TYR 455 HD2 -0.50 0.01 -0.02 -0.04 7.15 6.61 2d7sA1 TYR 455 HE2 -0.21 0.20 -0.04 -0.04 6.85 6.76 2d7sA1 ARG 456 H 0.02 0.04 -0.24 -0.55 8.46 7.73 2d7sA1 ARG 456 HA -0.10 0.10 0.43 -0.75 4.34 4.01 2d7sA1 ARG 456 HB2 0.02 -0.00 0.09 -0.04 1.90 1.97 2d7sA1 ARG 456 HB3 0.00 -0.02 0.03 -0.04 1.80 1.77 2d7sA1 ARG 456 HG2 0.01 0.04 -0.06 -0.04 1.67 1.63 2d7sA1 ARG 456 HG3 0.02 -0.01 -0.00 -0.04 1.67 1.63 2d7sA1 ARG 456 HD2 0.01 0.00 0.00 -0.04 3.22 3.19 2d7sA1 ARG 456 HD3 0.03 -0.01 0.01 -0.04 3.22 3.20 2d7sA1 SER 457 H -0.03 -0.00 -0.19 -0.55 8.46 7.68 2d7sA1 SER 457 HA -0.02 0.03 0.29 -0.75 4.49 4.03 2d7sA1 SER 457 HB2 -0.02 -0.05 0.10 -0.04 3.95 3.94 2d7sA1 SER 457 HB3 -0.04 0.19 0.08 -0.04 3.93 4.12 2d7sA1 LEU 458 H -0.16 0.27 -0.63 -0.55 8.37 7.31 2d7sA1 LEU 458 HA -0.06 0.13 0.77 -0.75 4.35 4.44 2d7sA1 LEU 458 HB2 -0.29 0.08 0.02 -0.04 1.64 1.41 2d7sA1 LEU 458 HB3 -0.17 0.01 -0.05 -0.04 1.64 1.39 2d7sA1 LEU 458 HG -0.11 -0.02 -0.21 -0.04 1.64 1.26 2d7sA1 LEU 458 HD13 -0.10 0.02 -0.20 -0.04 0.93 0.61 2d7sA1 LEU 458 HD23 -0.06 0.01 -0.12 -0.04 0.89 0.68 2d7sA1 TYR 459 H -0.20 0.50 0.11 -0.55 8.29 8.15 2d7sA1 TYR 459 HA -0.13 0.04 0.37 -0.75 4.56 4.09 2d7sA1 TYR 459 HB2 -0.64 0.11 0.17 -0.04 3.06 2.67 2d7sA1 TYR 459 HB3 -0.19 -0.02 0.16 -0.04 2.98 2.88 2d7sA1 TYR 459 HD2 -0.14 0.04 -0.09 -0.04 7.15 6.92 2d7sA1 TYR 459 HE2 0.07 0.02 -0.07 -0.04 6.85 6.83 2d7sA1 LEU 460 H 0.07 0.51 -0.16 -0.55 8.37 8.24 2d7sA1 LEU 460 HA 0.04 0.02 0.35 -0.75 4.35 4.01 2d7sA1 LEU 460 HB2 0.02 0.10 -0.04 -0.04 1.64 1.67 2d7sA1 LEU 460 HB3 0.01 0.00 -0.06 -0.04 1.64 1.56 2d7sA1 LEU 460 HG 0.11 -0.04 0.02 -0.04 1.64 1.69 2d7sA1 LEU 460 HD13 0.03 -0.01 -0.10 -0.04 0.93 0.81 2d7sA1 LEU 460 HD23 0.08 0.00 -0.01 -0.04 0.89 0.92 2d7sA1 ARG 461 H -0.00 0.25 -0.43 -0.55 8.46 7.73 2d7sA1 ARG 461 HA -0.03 0.04 0.45 -0.75 4.34 4.05 2d7sA1 ARG 461 HB2 -0.02 -0.03 0.10 -0.04 1.90 1.91 2d7sA1 ARG 461 HB3 -0.01 0.10 0.23 -0.04 1.80 2.08 2d7sA1 ARG 461 HG2 0.01 -0.01 -0.09 -0.04 1.67 1.54 2d7sA1 ARG 461 HG3 0.01 0.01 -0.48 -0.04 1.67 1.16 2d7sA1 ARG 461 HD2 -0.01 -0.03 -0.05 -0.04 3.22 3.09 2d7sA1 ARG 461 HD3 -0.02 -0.01 -0.01 -0.04 3.22 3.15 2d7sA1 TRP 462 H 0.13 0.55 -0.14 -0.55 7.97 7.96 2d7sA1 TRP 462 HA -0.10 0.04 0.42 -0.75 4.62 4.22 2d7sA1 TRP 462 HB2 -0.11 -0.01 0.06 -0.04 3.23 3.13 2d7sA1 TRP 462 HB3 -0.25 0.14 0.17 -0.04 3.23 3.26 2d7sA1 TRP 462 HD1 0.04 -0.05 0.04 -0.04 7.22 7.21 2d7sA1 TRP 462 HE1 -0.04 0.27 0.18 -0.04 10.20 10.56 2d7sA1 TRP 462 HE3 -0.72 0.14 -0.02 -0.04 7.59 6.94 2d7sA1 TRP 462 HZ2 0.07 0.24 -0.08 -0.04 7.44 7.64 2d7sA1 TRP 462 HZ3 -0.29 -0.07 -0.06 -0.04 7.13 6.67 2d7sA1 TRP 462 HH2 0.17 -0.07 -0.10 -0.04 7.19 7.15 2d7sA1 VAL 463 H -0.06 0.55 -0.11 -0.55 8.24 8.06 2d7sA1 VAL 463 HA -0.86 -0.02 0.36 -0.75 4.13 2.86 2d7sA1 VAL 463 HB -0.12 0.15 0.11 -0.04 2.12 2.22 2d7sA1 VAL 463 HG13 -0.13 -0.01 -0.21 -0.04 0.97 0.58 2d7sA1 VAL 463 HG23 -0.19 0.07 -0.03 -0.04 0.95 0.76 2d7sA1 ASN 464 H -0.16 0.43 -0.45 -0.55 8.53 7.80 2d7sA1 ASN 464 HA -0.18 0.04 0.46 -0.75 4.76 4.33 2d7sA1 ASN 464 HB2 -0.08 0.00 0.09 -0.04 2.88 2.85 2d7sA1 ASN 464 HB3 -0.09 0.10 0.16 -0.04 2.79 2.92 2d7sA1 ASN 464 HD21 -0.06 -0.05 0.08 -0.04 7.03 6.96 2d7sA1 ASN 464 HD22 -0.06 0.05 0.13 -0.04 7.74 7.82 2d7sA1 ALA 465 H -0.40 0.08 -0.71 -0.55 8.40 6.82 2d7sA1 ALA 465 HA -0.16 0.08 0.62 -0.75 4.34 4.12 2d7sA1 ALA 465 HB3 -0.18 0.09 -0.02 -0.04 1.41 1.25 2d7sA1 VAL 466 H -0.67 0.40 0.16 -0.55 8.24 7.58 2d7sA1 VAL 466 HA -0.36 0.07 0.62 -0.75 4.13 3.71 2d7sA1 VAL 466 HB -0.96 0.10 0.19 -0.04 2.12 1.41 2d7sA1 VAL 466 HG13 -1.14 0.02 0.09 -0.04 0.97 -0.11 2d7sA1 VAL 466 HG23 -0.63 -0.02 0.07 -0.04 0.95 0.33 2d7sA1 CYS 467 H -0.45 0.22 -0.15 -0.55 8.50 7.58 2d7sA1 CYS 467 HA -0.23 0.08 0.45 -0.75 4.58 4.13 2d7sA1 CYS 467 HB2 -0.70 0.12 -0.34 -0.04 2.97 2.01 2d7sA1 CYS 467 HB3 -0.31 -0.09 0.17 -0.04 2.97 2.70 2d7sA1 GLY 468 H -0.15 0.26 -0.01 -0.55 8.43 7.99 2d7sA1 GLY 468 HA2 -0.12 0.09 0.38 -0.51 4.01 3.84 2d7sA1 GLY 468 HA3 -0.09 0.11 0.29 -0.51 4.01 3.81 2d7sA1 ASP 469 H -0.07 0.10 -0.22 -0.55 8.40 7.66 2d7sA1 ASP 469 HA -0.03 0.10 0.50 -0.75 4.63 4.44 2d7sA1 ASP 469 HB2 -0.02 0.04 0.01 -0.04 2.71 2.69 2d7sA1 ASP 469 HB3 -0.01 0.04 0.04 -0.04 2.70 2.72 2d7sA1 ALA 470 H -0.06 0.11 -0.22 -0.55 8.40 7.67 2d7sA1 ALA 470 HA 0.04 0.03 0.28 -0.75 4.34 3.93 2d7sA1 ALA 470 HB3 0.03 0.07 0.08 -0.04 1.41 1.54 2d7sA1 ALA 471 H -0.06 0.22 -0.75 -0.55 8.40 7.26 2d7sA1 ALA 471 HA -0.01 0.06 0.48 -0.75 4.34 4.11 2d7sA1 ALA 471 HB3 -0.06 0.04 -0.01 -0.04 1.41 1.33 2d7sA1 ALA 472 H -0.02 0.22 0.02 -0.55 8.40 8.08 2d7sA1 ALA 472 HA -0.00 0.08 0.52 -0.75 4.34 4.19 2d7sA1 ALA 472 HB3 -0.01 -0.01 0.13 -0.04 1.41 1.47 2d7sA1 LEU 473 H 0.00 0.74 0.09 -0.55 8.37 8.66 2d7sA1 LEU 473 HA 0.01 -0.01 0.29 -0.75 4.35 3.89 2d7sA1 LEU 473 HB2 0.02 0.01 -0.10 -0.04 1.64 1.53 2d7sA1 LEU 473 HB3 0.02 -0.04 0.05 -0.04 1.64 1.63 2d7sA1 LEU 473 HG 0.00 0.10 -0.08 -0.04 1.64 1.62 2d7sA1 LEU 473 HD13 0.01 -0.02 -0.08 -0.04 0.93 0.81 2d7sA1 LEU 473 HD23 0.00 -0.02 -0.02 -0.04 0.89 0.81 2d7sA1 GLU 474 H 0.02 0.08 -1.33 -0.55 8.60 6.82 2d7sA1 GLU 474 HA 0.03 0.15 0.71 -0.75 4.29 4.42 2d7sA1 GLU 474 HB2 0.04 0.19 0.06 -0.04 2.09 2.34 2d7sA1 GLU 474 HB3 0.05 -0.09 0.05 -0.04 1.99 1.96 2d7sA1 GLU 474 HG2 0.05 -0.07 -0.25 -0.04 2.34 2.03 2d7sA1 GLU 474 HG3 0.07 -0.02 0.00 -0.04 2.34 2.36