============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 91 rings ring int. center anis. iso. PHE 13 1.000 4.529 12.113 -17.189 -99.200 -91.000 TRP 17 1.040 8.046 13.173 -13.692 -99.200 -91.000 TRP6 17 1.020 8.006 12.466 -11.439 -99.200 -91.000 PHE 19 1.000 18.074 16.438 -15.914 -99.200 -91.000 TYR 34 0.840 20.593 18.916 2.357 -99.200 -91.000 HIS 37 0.900 13.947 16.363 6.031 -99.200 -91.000 PHE 47 1.000 13.112 15.103 -7.259 -99.200 -91.000 TYR 49 0.840 21.945 15.755 -13.187 -99.200 -91.000 HIS 53 0.900 20.292 30.160 -4.444 -99.200 -91.000 TYR 63 0.840 39.720 33.024 -2.700 -99.200 -91.000 PHE 75 1.000 44.276 25.979 2.269 -99.200 -91.000 TYR 76 0.840 41.860 27.956 -4.787 -99.200 -91.000 PHE 78 1.000 39.176 22.146 -3.501 -99.200 -91.000 TYR 80 0.840 32.663 22.213 6.666 -99.200 -91.000 TYR 88 0.840 24.319 17.059 -2.745 -99.200 -91.000 PHE 96 1.000 21.280 22.424 -13.420 -99.200 -91.000 PHE 99 1.000 31.040 27.114 -11.149 -99.200 -91.000 PHE 101 1.000 23.958 33.812 -3.752 -99.200 -91.000 PHE 114 1.000 18.995 34.197 0.168 -99.200 -91.000 TYR 115 0.840 20.096 33.362 10.038 -99.200 -91.000 TRP 116 1.040 21.877 31.636 3.722 -99.200 -91.000 TRP6 116 1.020 23.138 31.571 1.726 -99.200 -91.000 TYR 126 0.840 34.870 40.041 -13.316 -99.200 -91.000 TRP 129 1.040 34.133 34.121 -10.905 -99.200 -91.000 TRP6 129 1.020 32.831 33.760 -8.971 -99.200 -91.000 HIS 139 0.900 38.716 18.612 -4.723 -99.200 -91.000 PHE 140 1.000 33.239 20.250 -7.672 -99.200 -91.000 TYR 144 0.840 33.545 13.581 -6.240 -99.200 -91.000 TRP 152 1.040 28.847 16.064 -11.573 -99.200 -91.000 TRP6 152 1.020 30.369 16.789 -9.920 -99.200 -91.000 PHE 154 1.000 30.236 22.037 -13.805 -99.200 -91.000 TRP 157 1.040 25.165 35.974 -9.316 -99.200 -91.000 TRP6 157 1.020 26.946 35.910 -7.762 -99.200 -91.000 PHE 165 1.000 18.622 36.234 -5.054 -99.200 -91.000 TRP 166 1.040 24.897 40.988 -11.139 -99.200 -91.000 TRP6 166 1.020 27.058 40.254 -10.551 -99.200 -91.000 TYR 174 0.840 24.793 36.344 -15.459 -99.200 -91.000 PHE 175 1.000 24.367 39.690 -20.890 -99.200 -91.000 TYR 178 0.840 27.599 32.159 -19.469 -99.200 -91.000 HIS 191 0.900 34.097 16.090 -24.289 -99.200 -91.000 TRP 206 1.040 18.071 40.828 -17.679 -99.200 -91.000 TRP6 206 1.020 20.076 40.503 -16.456 -99.200 -91.000 PHE 210 1.000 23.339 33.665 -21.135 -99.200 -91.000 HIS 212 0.900 22.851 39.092 -31.246 -99.200 -91.000 PHE 213 1.000 28.508 38.843 -23.300 -99.200 -91.000 PHE 223 1.000 22.796 24.993 -18.040 -99.200 -91.000 HIS 227 0.900 15.808 31.075 -10.459 -99.200 -91.000 TYR 229 0.840 9.883 30.792 -7.306 -99.200 -91.000 HIS 235 0.900 -2.185 39.026 0.720 -99.200 -91.000 PHE 239 1.000 6.375 36.543 15.054 -99.200 -91.000 TYR 241 0.840 2.909 32.249 9.443 -99.200 -91.000 TYR 242 0.840 7.964 38.246 3.175 -99.200 -91.000 TYR 243 0.840 -0.630 34.681 5.911 -99.200 -91.000 PHE 256 1.000 7.779 25.551 -16.656 -99.200 -91.000 PHE 268 1.000 24.422 30.366 -28.958 -99.200 -91.000 HIS 270 0.900 22.365 23.896 -30.468 -99.200 -91.000 HIS 274 0.900 18.386 21.659 -17.954 -99.200 -91.000 TYR 278 0.840 8.237 23.314 -10.405 -99.200 -91.000 TYR 282 0.840 8.174 35.992 -4.798 -99.200 -91.000 HIS 289 0.900 6.239 27.559 -0.283 -99.200 -91.000 TYR 297 0.840 -0.380 26.668 -8.778 -99.200 -91.000 TYR 308 0.840 4.419 23.628 -22.640 -99.200 -91.000 PHE 312 1.000 8.577 20.077 -14.772 -99.200 -91.000 TYR 314 0.840 8.272 21.848 -5.003 -99.200 -91.000 TRP 315 1.040 13.958 27.504 -3.905 -99.200 -91.000 TRP6 315 1.020 16.248 27.093 -4.316 -99.200 -91.000 PHE 317 1.000 16.416 17.996 0.106 -99.200 -91.000 PHE 321 1.000 15.394 27.643 1.691 -99.200 -91.000 PHE 331 1.000 3.521 20.645 8.985 -99.200 -91.000 HIS 332 0.900 9.292 25.961 8.267 -99.200 -91.000 PHE 335 1.000 11.175 28.619 -1.053 -99.200 -91.000 HIS 341 0.900 11.133 16.777 14.250 -99.200 -91.000 PHE 348 1.000 7.693 12.294 -0.013 -99.200 -91.000 HIS 349 0.900 2.167 12.032 0.802 -99.200 -91.000 PHE 351 1.000 7.739 16.664 -7.180 -99.200 -91.000 PHE 353 1.000 -0.365 9.965 -4.399 -99.200 -91.000 PHE 354 1.000 2.086 13.781 -11.977 -99.200 -91.000 TYR 363 0.840 -8.278 12.188 -21.313 -99.200 -91.000 TRP 383 1.040 -4.593 18.219 -11.451 -99.200 -91.000 TRP6 383 1.020 -3.542 16.659 -12.855 -99.200 -91.000 PHE 409 1.000 -5.559 -4.723 -5.292 -99.200 -91.000 TYR 419 0.840 -9.017 10.584 4.866 -99.200 -91.000 TRP 423 1.040 -0.853 23.827 7.505 -99.200 -91.000 TRP6 423 1.020 -2.886 24.563 6.566 -99.200 -91.000 TRP 426 1.040 1.779 22.413 13.575 -99.200 -91.000 TRP6 426 1.020 1.402 24.480 12.500 -99.200 -91.000 PHE 434 1.000 9.920 26.245 18.914 -99.200 -91.000 HIS 450 0.900 -8.667 6.815 3.103 -99.200 -91.000 HIS 464 0.900 -18.343 2.247 -18.016 -99.200 -91.000 TYR 489 0.840 -5.791 -20.099 -1.650 -99.200 -91.000 TYR 500 0.840 -14.893 -12.756 9.230 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bs9H1 GLY 2 HA2 -0.02 -0.06 0.14 -0.51 4.01 3.56 2bs9H1 GLY 2 HA3 -0.03 -0.03 0.16 -0.51 4.01 3.60 2bs9H1 VAL 3 H -0.04 0.13 0.11 -0.55 8.24 7.89 2bs9H1 VAL 3 HA -0.06 0.21 0.88 -0.75 4.13 4.41 2bs9H1 VAL 3 HB -0.03 -0.03 0.02 -0.04 2.12 2.04 2bs9H1 VAL 3 HG13 -0.01 -0.01 -0.20 -0.04 0.97 0.70 2bs9H1 VAL 3 HG23 -0.01 -0.00 -0.12 -0.04 0.95 0.77 2bs9H1 VAL 4 H -0.13 0.62 0.19 -0.55 8.24 8.37 2bs9H1 VAL 4 HA -0.23 0.14 0.86 -0.75 4.13 4.14 2bs9H1 VAL 4 HB -0.28 0.02 0.16 -0.04 2.12 1.97 2bs9H1 VAL 4 HG13 -0.98 -0.01 -0.24 -0.04 0.97 -0.29 2bs9H1 VAL 4 HG23 -0.19 0.01 -0.22 -0.04 0.95 0.51 2bs9H1 ASN 5 H -0.16 0.21 0.07 -0.55 8.53 8.10 2bs9H1 ASN 5 HA -0.14 0.12 0.77 -0.75 4.76 4.76 2bs9H1 ASN 5 HB2 -0.07 -0.02 0.17 -0.04 2.88 2.92 2bs9H1 ASN 5 HB3 -0.06 0.06 -0.01 -0.04 2.79 2.73 2bs9H1 ASN 5 HD21 -0.03 -0.02 -0.07 -0.04 7.03 6.87 2bs9H1 ASN 5 HD22 -0.04 0.02 0.00 -0.04 7.74 7.68 2bs9H1 VAL 6 H -0.16 0.50 0.26 -0.55 8.24 8.28 2bs9H1 VAL 6 HA -0.12 0.06 0.45 -0.75 4.13 3.76 2bs9H1 VAL 6 HB -0.10 0.02 0.23 -0.04 2.12 2.22 2bs9H1 VAL 6 HG13 -0.04 0.06 -0.17 -0.04 0.97 0.79 2bs9H1 VAL 6 HG23 -0.17 -0.02 -0.08 -0.04 0.95 0.64 2bs9H1 PRO 7 HA -0.01 -0.02 0.55 -0.51 4.44 4.45 2bs9H1 PRO 7 HB2 0.02 0.16 0.04 -0.04 2.28 2.46 2bs9H1 PRO 7 HB3 0.01 -0.07 0.20 -0.04 2.02 2.12 2bs9H1 PRO 7 HG2 0.06 0.20 0.23 -0.04 2.03 2.48 2bs9H1 PRO 7 HG3 0.04 -0.03 0.17 -0.04 2.03 2.16 2bs9H1 PRO 7 HD2 0.06 0.11 0.10 -0.04 3.68 3.91 2bs9H1 PRO 7 HD3 0.03 0.24 0.36 -0.04 3.65 4.24 2bs9H1 SER 8 H -0.01 0.05 0.19 -0.55 8.46 8.15 2bs9H1 SER 8 HA -0.01 0.17 0.50 -0.75 4.49 4.39 2bs9H1 SER 8 HB2 -0.00 -0.04 0.05 -0.04 3.95 3.91 2bs9H1 SER 8 HB3 -0.01 -0.01 0.02 -0.04 3.93 3.90 2bs9H1 ASN 9 H 0.01 0.08 -0.00 -0.55 8.53 8.06 2bs9H1 ASN 9 HA 0.01 0.20 0.78 -0.75 4.76 5.00 2bs9H1 ASN 9 HB2 0.01 -0.02 -0.07 -0.04 2.88 2.75 2bs9H1 ASN 9 HB3 0.01 0.05 0.04 -0.04 2.79 2.86 2bs9H1 ASN 9 HD21 0.00 -0.01 -0.06 -0.04 7.03 6.93 2bs9H1 ASN 9 HD22 0.01 0.01 -0.03 -0.04 7.74 7.68 2bs9H1 GLY 10 H 0.02 0.19 0.07 -0.55 8.43 8.16 2bs9H1 GLY 10 HA2 0.02 0.12 0.92 -0.51 4.01 4.57 2bs9H1 GLY 10 HA3 0.03 0.21 0.09 -0.51 4.01 3.83 2bs9H1 ARG 11 H 0.02 0.11 0.20 -0.55 8.46 8.25 2bs9H1 ARG 11 HA 0.02 0.11 0.68 -0.75 4.34 4.40 2bs9H1 ARG 11 HB2 0.02 -0.01 0.09 -0.04 1.90 1.95 2bs9H1 ARG 11 HB3 0.02 -0.03 0.20 -0.04 1.80 1.95 2bs9H1 ARG 11 HG2 0.02 -0.03 0.01 -0.04 1.67 1.63 2bs9H1 ARG 11 HG3 0.02 0.02 -0.15 -0.04 1.67 1.51 2bs9H1 ARG 11 HD2 0.02 0.03 0.08 -0.04 3.22 3.31 2bs9H1 ARG 11 HD3 0.02 -0.03 0.01 -0.04 3.22 3.17 2bs9H1 GLU 12 H 0.03 0.03 0.13 -0.55 8.60 8.25 2bs9H1 GLU 12 HA 0.03 0.09 0.42 -0.75 4.29 4.08 2bs9H1 GLU 12 HB2 0.03 -0.03 0.10 -0.04 2.09 2.15 2bs9H1 GLU 12 HB3 0.05 0.12 0.02 -0.04 1.99 2.14 2bs9H1 GLU 12 HG2 0.02 0.02 0.05 -0.04 2.34 2.38 2bs9H1 GLU 12 HG3 0.02 -0.05 0.04 -0.04 2.34 2.30 2bs9H1 LYS 13 H 0.05 0.15 0.21 -0.55 8.42 8.28 2bs9H1 LYS 13 HA 0.10 0.22 1.06 -0.75 4.32 4.94 2bs9H1 LYS 13 HB2 0.05 -0.08 0.07 -0.04 1.87 1.87 2bs9H1 LYS 13 HB3 0.08 0.12 0.08 -0.04 1.79 2.03 2bs9H1 LYS 13 HG2 0.05 0.09 -0.38 -0.04 1.46 1.18 2bs9H1 LYS 13 HG3 0.04 -0.04 -0.02 -0.04 1.46 1.40 2bs9H1 LYS 13 HD2 0.04 -0.04 -0.02 -0.04 1.69 1.63 2bs9H1 LYS 13 HD3 0.06 0.02 -0.07 -0.04 1.68 1.65 2bs9H1 LYS 13 HE2 0.03 0.07 -0.05 -0.04 2.99 3.00 2bs9H1 LYS 13 HE3 0.03 -0.05 -0.02 -0.04 2.99 2.91 2bs9H1 PHE 14 H 0.25 0.53 0.18 -0.55 8.34 8.75 2bs9H1 PHE 14 HA 0.08 0.02 0.78 -0.75 4.62 4.74 2bs9H1 PHE 14 HB2 0.05 -0.09 0.02 -0.04 3.15 3.10 2bs9H1 PHE 14 HB3 0.08 0.12 0.11 -0.04 3.06 3.33 2bs9H1 PHE 14 HD2 0.12 -0.00 -0.05 -0.04 7.28 7.30 2bs9H1 PHE 14 HE2 0.02 0.10 0.00 -0.04 7.38 7.46 2bs9H1 PHE 14 HZ -0.18 -0.03 -0.08 -0.04 7.32 6.98 2bs9H1 LYS 15 H -0.23 0.11 0.12 -0.55 8.42 7.87 2bs9H1 LYS 15 HA -0.03 0.12 0.49 -0.75 4.32 4.15 2bs9H1 LYS 15 HB2 -0.09 -0.00 0.10 -0.04 1.87 1.83 2bs9H1 LYS 15 HB3 -0.04 -0.12 0.13 -0.04 1.79 1.72 2bs9H1 LYS 15 HG2 -0.01 0.00 0.00 -0.04 1.46 1.42 2bs9H1 LYS 15 HG3 -0.01 0.09 0.01 -0.04 1.46 1.50 2bs9H1 LYS 15 HD2 -0.01 0.12 0.02 -0.04 1.69 1.77 2bs9H1 LYS 15 HD3 -0.01 -0.02 0.05 -0.04 1.68 1.66 2bs9H1 LYS 15 HE2 0.01 -0.04 0.01 -0.04 2.99 2.93 2bs9H1 LYS 15 HE3 -0.00 0.03 0.02 -0.04 2.99 3.00 2bs9H1 LYS 16 H -0.02 0.18 0.14 -0.55 8.42 8.16 2bs9H1 LYS 16 HA -0.00 0.23 0.65 -0.75 4.32 4.44 2bs9H1 LYS 16 HB2 -0.04 0.01 0.05 -0.04 1.87 1.85 2bs9H1 LYS 16 HB3 -0.16 0.05 0.12 -0.04 1.79 1.76 2bs9H1 LYS 16 HG2 0.08 0.05 -0.08 -0.04 1.46 1.47 2bs9H1 LYS 16 HG3 0.02 -0.02 0.04 -0.04 1.46 1.46 2bs9H1 LYS 16 HD2 -0.01 -0.00 0.01 -0.04 1.69 1.65 2bs9H1 LYS 16 HD3 -0.03 0.04 0.01 -0.04 1.68 1.66 2bs9H1 LYS 16 HE2 0.13 0.02 -0.05 -0.04 2.99 3.05 2bs9H1 LYS 16 HE3 0.06 -0.06 -0.00 -0.04 2.99 2.95 2bs9H1 ASN 17 H -0.02 0.07 -0.34 -0.55 8.53 7.69 2bs9H1 ASN 17 HA -0.03 0.14 0.35 -0.75 4.76 4.47 2bs9H1 ASN 17 HB2 0.15 -0.08 0.02 -0.04 2.88 2.93 2bs9H1 ASN 17 HB3 0.18 -0.01 -0.17 -0.04 2.79 2.75 2bs9H1 ASN 17 HD21 -0.00 -0.06 0.13 -0.04 7.03 7.06 2bs9H1 ASN 17 HD22 0.07 0.33 0.24 -0.04 7.74 8.33 2bs9H1 TRP 18 H 0.21 0.18 -0.43 -0.55 7.97 7.38 2bs9H1 TRP 18 HA -0.99 -0.00 0.35 -0.75 4.62 3.22 2bs9H1 TRP 18 HB2 -0.22 -0.04 0.05 -0.04 3.23 2.98 2bs9H1 TRP 18 HB3 0.05 0.05 0.07 -0.04 3.23 3.35 2bs9H1 TRP 18 HD1 -0.31 0.10 -0.02 -0.04 7.22 6.95 2bs9H1 TRP 18 HE1 0.15 0.08 -0.06 -0.04 10.20 10.33 2bs9H1 TRP 18 HE3 -0.12 -0.08 -0.22 -0.04 7.59 7.14 2bs9H1 TRP 18 HZ2 0.14 0.12 -0.20 -0.04 7.44 7.45 2bs9H1 TRP 18 HZ3 0.16 -0.07 -0.05 -0.04 7.13 7.13 2bs9H1 TRP 18 HH2 0.04 0.04 -0.09 -0.04 7.19 7.14 2bs9H1 LYS 19 H -0.91 0.45 -0.32 -0.55 8.42 7.08 2bs9H1 LYS 19 HA -0.10 0.18 0.82 -0.75 4.32 4.46 2bs9H1 LYS 19 HB2 -1.11 -0.01 -0.03 -0.04 1.87 0.68 2bs9H1 LYS 19 HB3 -2.29 -0.03 -0.15 -0.04 1.79 -0.72 2bs9H1 LYS 19 HG2 -1.69 -0.04 -0.02 -0.04 1.46 -0.34 2bs9H1 LYS 19 HG3 -0.68 0.06 -0.09 -0.04 1.46 0.71 2bs9H1 LYS 19 HD2 -0.66 0.00 -0.12 -0.04 1.69 0.87 2bs9H1 LYS 19 HD3 -0.91 -0.02 -0.05 -0.04 1.68 0.66 2bs9H1 LYS 19 HE2 -0.24 -0.04 0.01 -0.04 2.99 2.67 2bs9H1 LYS 19 HE3 -0.27 0.10 0.04 -0.04 2.99 2.82 2bs9H1 PHE 20 H -0.03 0.34 -0.15 -0.55 8.34 7.95 2bs9H1 PHE 20 HA -0.06 0.06 0.61 -0.75 4.62 4.47 2bs9H1 PHE 20 HB2 -0.10 0.05 0.20 -0.04 3.15 3.26 2bs9H1 PHE 20 HB3 -0.10 -0.07 0.14 -0.04 3.06 2.99 2bs9H1 PHE 20 HD2 -0.14 -0.05 -0.11 -0.04 7.28 6.94 2bs9H1 PHE 20 HE2 -0.39 -0.03 -0.09 -0.04 7.38 6.83 2bs9H1 PHE 20 HZ -0.46 0.05 -0.08 -0.04 7.32 6.79 2bs9H1 CYS 21 H 0.13 0.25 -0.17 -0.55 8.50 8.16 2bs9H1 CYS 21 HA -0.10 0.25 0.86 -0.75 4.58 4.83 2bs9H1 CYS 21 HB2 0.11 0.03 -0.43 -0.04 2.97 2.64 2bs9H1 CYS 21 HB3 0.03 -0.09 -0.26 -0.04 2.97 2.60 2bs9H1 VAL 22 H -0.41 0.65 0.26 -0.55 8.24 8.20 2bs9H1 VAL 22 HA -0.42 0.05 0.77 -0.75 4.13 3.77 2bs9H1 VAL 22 HB -2.68 0.06 -0.03 -0.04 2.12 -0.57 2bs9H1 VAL 22 HG13 -0.69 0.04 -0.05 -0.04 0.97 0.23 2bs9H1 VAL 22 HG23 -0.53 -0.02 0.12 -0.04 0.95 0.47 2bs9H1 GLY 23 H -0.19 0.66 0.15 -0.55 8.43 8.50 2bs9H1 GLY 23 HA2 -0.04 0.27 0.77 -0.51 4.01 4.51 2bs9H1 GLY 23 HA3 0.04 -0.02 0.28 -0.51 4.01 3.81 2bs9H1 THR 24 H -0.34 0.52 0.33 -0.55 8.28 8.24 2bs9H1 THR 24 HA -0.06 -0.08 0.75 -0.75 4.39 4.25 2bs9H1 THR 24 HB -0.13 0.08 -0.20 -0.04 4.32 4.04 2bs9H1 THR 24 HG23 -0.05 0.01 -0.34 -0.04 1.22 0.80 2bs9H1 GLY 25 H 0.03 0.17 0.15 -0.55 8.43 8.22 2bs9H1 GLY 25 HA2 -0.31 -0.04 0.64 -0.51 4.01 3.79 2bs9H1 GLY 25 HA3 -0.07 0.14 0.39 -0.51 4.01 3.96 2bs9H1 ARG 26 H -0.38 -0.04 0.12 -0.55 8.46 7.61 2bs9H1 ARG 26 HA -0.10 0.30 0.23 -0.75 4.34 4.02 2bs9H1 ARG 26 HB2 -0.67 0.02 -0.03 -0.04 1.90 1.18 2bs9H1 ARG 26 HB3 -0.78 -0.03 0.08 -0.04 1.80 1.03 2bs9H1 ARG 26 HG2 -0.69 -0.01 -0.03 -0.04 1.67 0.90 2bs9H1 ARG 26 HG3 -0.53 -0.23 -0.28 -0.04 1.67 0.58 2bs9H1 ARG 26 HD2 -1.42 0.01 -0.05 -0.04 3.22 1.72 2bs9H1 ARG 26 HD3 -2.81 0.00 -0.05 -0.04 3.22 0.32 2bs9H1 LEU 27 H -0.12 0.41 0.22 -0.55 8.37 8.34 2bs9H1 LEU 27 HA -0.12 0.16 0.12 -0.75 4.35 3.76 2bs9H1 LEU 27 HB2 -0.05 -0.07 -0.08 -0.04 1.64 1.40 2bs9H1 LEU 27 HB3 -0.09 0.04 -0.07 -0.04 1.64 1.48 2bs9H1 LEU 27 HG 0.02 -0.06 -0.12 -0.04 1.64 1.43 2bs9H1 LEU 27 HD13 -0.01 0.02 -0.05 -0.04 0.93 0.85 2bs9H1 LEU 27 HD23 0.03 0.03 -0.11 -0.04 0.89 0.79 2bs9H1 GLY 28 H -0.25 0.01 -0.34 -0.55 8.43 7.30 2bs9H1 GLY 28 HA2 -0.23 0.16 0.36 -0.51 4.01 3.79 2bs9H1 GLY 28 HA3 -0.23 -0.02 0.13 -0.51 4.01 3.39 2bs9H1 LEU 29 H -0.31 0.32 -0.36 -0.55 8.37 7.47 2bs9H1 LEU 29 HA -0.23 0.06 0.56 -0.75 4.35 3.98 2bs9H1 LEU 29 HB2 -0.19 0.30 -0.10 -0.04 1.64 1.62 2bs9H1 LEU 29 HB3 -0.07 -0.03 -0.14 -0.04 1.64 1.36 2bs9H1 LEU 29 HG -0.31 -0.08 -0.12 -0.04 1.64 1.09 2bs9H1 LEU 29 HD13 -0.21 -0.04 -0.21 -0.04 0.93 0.43 2bs9H1 LEU 29 HD23 -0.13 0.01 -0.11 -0.04 0.89 0.63 2bs9H1 ALA 30 H -0.53 0.29 -0.39 -0.55 8.40 7.22 2bs9H1 ALA 30 HA -2.17 -0.01 0.27 -0.75 4.34 1.69 2bs9H1 ALA 30 HB3 -0.51 0.06 0.01 -0.04 1.41 0.93 2bs9H1 LEU 31 H -0.36 0.23 -0.76 -0.55 8.37 6.93 2bs9H1 LEU 31 HA -0.20 0.10 0.34 -0.75 4.35 3.83 2bs9H1 LEU 31 HB2 -0.29 0.06 -0.02 -0.04 1.64 1.36 2bs9H1 LEU 31 HB3 -0.25 -0.06 0.02 -0.04 1.64 1.31 2bs9H1 LEU 31 HG -0.37 0.01 -0.01 -0.04 1.64 1.23 2bs9H1 LEU 31 HD13 -0.97 -0.01 -0.00 -0.04 0.93 -0.10 2bs9H1 LEU 31 HD23 -0.22 0.01 -0.05 -0.04 0.89 0.59 2bs9H1 GLN 32 H -0.20 0.61 -0.25 -0.55 8.47 8.09 2bs9H1 GLN 32 HA -0.07 0.06 0.60 -0.75 4.36 4.20 2bs9H1 GLN 32 HB2 -0.02 0.04 0.12 -0.04 2.15 2.25 2bs9H1 GLN 32 HB3 -0.05 -0.19 0.06 -0.04 2.02 1.80 2bs9H1 GLN 32 HG2 -0.09 0.03 0.02 -0.04 2.40 2.32 2bs9H1 GLN 32 HG3 -0.13 0.13 0.10 -0.04 2.39 2.44 2bs9H1 GLN 32 HE21 -0.07 -0.00 -0.03 -0.04 6.97 6.83 2bs9H1 GLN 32 HE22 -0.08 0.04 -0.03 -0.04 7.69 7.58 2bs9H1 LYS 33 H -0.02 0.19 0.20 -0.55 8.42 8.23 2bs9H1 LYS 33 HA 0.02 0.18 0.53 -0.75 4.32 4.29 2bs9H1 LYS 33 HB2 -0.00 0.07 0.16 -0.04 1.87 2.05 2bs9H1 LYS 33 HB3 0.00 -0.05 0.05 -0.04 1.79 1.74 2bs9H1 LYS 33 HG2 0.03 -0.02 0.05 -0.04 1.46 1.47 2bs9H1 LYS 33 HG3 0.01 0.07 0.04 -0.04 1.46 1.54 2bs9H1 LYS 33 HD2 0.01 0.01 -0.02 -0.04 1.69 1.66 2bs9H1 LYS 33 HD3 0.02 -0.05 -0.11 -0.04 1.68 1.49 2bs9H1 LYS 33 HE2 0.03 0.02 -0.03 -0.04 2.99 2.96 2bs9H1 LYS 33 HE3 0.02 0.03 -0.02 -0.04 2.99 2.97 2bs9H1 GLU 34 H -0.02 0.09 -0.16 -0.55 8.60 7.97 2bs9H1 GLU 34 HA 0.01 0.10 0.38 -0.75 4.29 4.02 2bs9H1 GLU 34 HB2 -0.08 0.04 0.08 -0.04 2.09 2.08 2bs9H1 GLU 34 HB3 -0.11 -0.00 -0.00 -0.04 1.99 1.83 2bs9H1 GLU 34 HG2 -0.25 0.02 -0.03 -0.04 2.34 2.04 2bs9H1 GLU 34 HG3 -0.49 0.01 -0.16 -0.04 2.34 1.67 2bs9H1 TYR 35 H 0.08 0.15 -0.41 -0.55 8.29 7.55 2bs9H1 TYR 35 HA -0.16 -0.04 0.40 -0.75 4.56 4.01 2bs9H1 TYR 35 HB2 -0.08 -0.12 -0.02 -0.04 3.06 2.80 2bs9H1 TYR 35 HB3 -0.03 0.36 0.05 -0.04 2.98 3.32 2bs9H1 TYR 35 HD2 0.04 0.02 -0.35 -0.04 7.15 6.82 2bs9H1 TYR 35 HE2 0.14 0.04 -0.16 -0.04 6.85 6.83 2bs9H1 LEU 36 H 0.19 0.43 -0.17 -0.55 8.37 8.27 2bs9H1 LEU 36 HA 0.24 0.08 0.46 -0.75 4.35 4.38 2bs9H1 LEU 36 HB2 0.09 0.02 0.12 -0.04 1.64 1.83 2bs9H1 LEU 36 HB3 0.10 0.01 0.01 -0.04 1.64 1.71 2bs9H1 LEU 36 HG 0.13 0.14 -0.01 -0.04 1.64 1.86 2bs9H1 LEU 36 HD13 0.02 -0.02 -0.06 -0.04 0.93 0.83 2bs9H1 LEU 36 HD23 0.16 0.00 -0.07 -0.04 0.89 0.93 2bs9H1 ASP 37 H 0.12 0.54 -0.15 -0.55 8.40 8.36 2bs9H1 ASP 37 HA 0.08 0.06 0.38 -0.75 4.63 4.39 2bs9H1 ASP 37 HB2 0.21 0.09 0.13 -0.04 2.71 3.10 2bs9H1 ASP 37 HB3 0.10 -0.01 -0.06 -0.04 2.70 2.68 2bs9H1 HIS 38 H 0.28 0.33 -0.42 -0.55 8.41 8.06 2bs9H1 HIS 38 HA -0.02 0.04 0.37 -0.75 4.63 4.26 2bs9H1 HIS 38 HB2 -0.15 0.19 0.16 -0.04 3.26 3.42 2bs9H1 HIS 38 HB3 -0.27 -0.02 -0.03 -0.04 3.20 2.84 2bs9H1 HIS 38 HD2 -0.07 0.02 0.02 -0.04 6.97 6.90 2bs9H1 HIS 38 HE1 -0.19 0.01 -0.95 -0.04 7.75 6.58 2bs9H1 LEU 39 H 0.25 0.46 -0.07 -0.55 8.37 8.46 2bs9H1 LEU 39 HA 0.10 0.00 0.31 -0.75 4.35 4.00 2bs9H1 LEU 39 HB2 0.06 0.06 0.11 -0.04 1.64 1.82 2bs9H1 LEU 39 HB3 0.05 0.10 0.00 -0.04 1.64 1.75 2bs9H1 LEU 39 HG -0.52 -0.10 -0.06 -0.04 1.64 0.93 2bs9H1 LEU 39 HD13 -0.07 0.02 -0.10 -0.04 0.93 0.74 2bs9H1 LEU 39 HD23 -0.52 -0.00 -0.00 -0.04 0.89 0.32 2bs9H1 LYS 40 H 0.09 0.48 -0.35 -0.55 8.42 8.09 2bs9H1 LYS 40 HA 0.03 0.12 0.50 -0.75 4.32 4.22 2bs9H1 LYS 40 HB2 0.05 0.05 0.07 -0.04 1.87 2.00 2bs9H1 LYS 40 HB3 0.05 0.07 0.11 -0.04 1.79 1.98 2bs9H1 LYS 40 HG2 0.03 -0.02 -0.11 -0.04 1.46 1.32 2bs9H1 LYS 40 HG3 0.03 0.04 0.02 -0.04 1.46 1.50 2bs9H1 LYS 40 HD2 0.03 -0.02 -0.04 -0.04 1.69 1.62 2bs9H1 LYS 40 HD3 0.03 -0.04 -0.04 -0.04 1.68 1.60 2bs9H1 LYS 40 HE2 0.02 0.05 -0.03 -0.04 2.99 2.99 2bs9H1 LYS 40 HE3 0.02 -0.03 -0.03 -0.04 2.99 2.91 2bs9H1 LEU 41 H 0.06 0.38 -0.11 -0.55 8.37 8.15 2bs9H1 LEU 41 HA 0.07 0.02 0.43 -0.75 4.35 4.12 2bs9H1 LEU 41 HB2 -0.03 0.00 0.13 -0.04 1.64 1.71 2bs9H1 LEU 41 HB3 -0.01 0.08 0.19 -0.04 1.64 1.86 2bs9H1 LEU 41 HG 0.13 -0.00 -0.26 -0.04 1.64 1.47 2bs9H1 LEU 41 HD13 0.02 -0.01 0.03 -0.04 0.93 0.93 2bs9H1 LEU 41 HD23 -0.34 -0.02 -0.04 -0.04 0.89 0.46 2bs9H1 VAL 42 H 0.15 0.54 -0.10 -0.55 8.24 8.28 2bs9H1 VAL 42 HA 0.24 -0.02 0.49 -0.75 4.13 4.09 2bs9H1 VAL 42 HB 0.19 0.07 0.13 -0.04 2.12 2.47 2bs9H1 VAL 42 HG13 0.22 0.00 -0.08 -0.04 0.97 1.07 2bs9H1 VAL 42 HG23 0.32 -0.03 0.04 -0.04 0.95 1.23 2bs9H1 GLN 43 H 0.05 0.36 -0.25 -0.55 8.47 8.08 2bs9H1 GLN 43 HA -0.03 0.20 0.62 -0.75 4.36 4.39 2bs9H1 GLN 43 HB2 -0.01 -0.02 0.21 -0.04 2.15 2.28 2bs9H1 GLN 43 HB3 -0.04 0.03 0.07 -0.04 2.02 2.04 2bs9H1 GLN 43 HG2 -0.07 -0.03 0.11 -0.04 2.40 2.37 2bs9H1 GLN 43 HG3 -0.09 0.09 0.05 -0.04 2.39 2.39 2bs9H1 GLN 43 HE21 -0.12 0.50 0.10 -0.04 6.97 7.40 2bs9H1 GLN 43 HE22 -0.13 0.28 -0.13 -0.04 7.69 7.68 2bs9H1 GLU 44 H 0.04 0.37 -0.20 -0.55 8.60 8.26 2bs9H1 GLU 44 HA 0.01 0.07 0.60 -0.75 4.29 4.22 2bs9H1 GLU 44 HB2 0.06 0.07 0.14 -0.04 2.09 2.33 2bs9H1 GLU 44 HB3 0.05 -0.09 -0.02 -0.04 1.99 1.89 2bs9H1 GLU 44 HG2 0.02 -0.07 0.02 -0.04 2.34 2.27 2bs9H1 GLU 44 HG3 0.02 0.08 0.02 -0.04 2.34 2.41 2bs9H1 LYS 45 H 0.06 0.28 -0.21 -0.55 8.42 8.00 2bs9H1 LYS 45 HA 0.06 0.10 0.63 -0.75 4.32 4.36 2bs9H1 LYS 45 HB2 0.13 0.06 0.11 -0.04 1.87 2.12 2bs9H1 LYS 45 HB3 0.04 -0.08 0.01 -0.04 1.79 1.71 2bs9H1 LYS 45 HG2 0.18 0.01 -0.03 -0.04 1.46 1.58 2bs9H1 LYS 45 HG3 0.44 -0.07 -0.00 -0.04 1.46 1.79 2bs9H1 LYS 45 HD2 0.21 -0.04 -0.01 -0.04 1.69 1.81 2bs9H1 LYS 45 HD3 0.12 0.06 -0.05 -0.04 1.68 1.77 2bs9H1 LYS 45 HE2 0.17 -0.02 -0.02 -0.04 2.99 3.08 2bs9H1 LYS 45 HE3 0.13 -0.05 -0.02 -0.04 2.99 3.01 2bs9H1 ILE 46 H -0.07 0.62 0.02 -0.55 8.25 8.27 2bs9H1 ILE 46 HA -0.11 0.10 0.71 -0.75 4.18 4.13 2bs9H1 ILE 46 HB -0.35 0.05 0.16 -0.04 1.89 1.70 2bs9H1 ILE 46 HG12 -0.18 0.02 -0.31 -0.04 1.49 0.97 2bs9H1 ILE 46 HG13 -0.34 -0.10 -0.31 -0.04 1.21 0.42 2bs9H1 ILE 46 HG23 -0.47 -0.01 -0.13 -0.04 0.93 0.28 2bs9H1 ILE 46 HD13 -0.47 -0.03 0.01 -0.04 0.88 0.36 2bs9H1 GLY 47 H -0.22 0.11 -0.01 -0.55 8.43 7.76 2bs9H1 GLY 47 HA2 -0.15 0.28 0.64 -0.51 4.01 4.27 2bs9H1 GLY 47 HA3 -0.16 -0.03 0.34 -0.51 4.01 3.65 2bs9H1 PHE 48 H -0.10 0.24 0.10 -0.55 8.34 8.03 2bs9H1 PHE 48 HA -0.26 0.29 0.47 -0.75 4.62 4.36 2bs9H1 PHE 48 HB2 -0.26 -0.01 0.03 -0.04 3.15 2.87 2bs9H1 PHE 48 HB3 -0.26 0.00 -0.09 -0.04 3.06 2.67 2bs9H1 PHE 48 HD2 -0.21 0.05 -0.24 -0.04 7.28 6.84 2bs9H1 PHE 48 HE2 -0.17 0.02 0.01 -0.04 7.38 7.21 2bs9H1 PHE 48 HZ -0.84 -0.07 0.00 -0.04 7.32 6.36 2bs9H1 ARG 49 H -0.13 0.29 0.29 -0.55 8.46 8.35 2bs9H1 ARG 49 HA -0.32 0.21 0.80 -0.75 4.34 4.28 2bs9H1 ARG 49 HB2 -0.34 0.07 0.28 -0.04 1.90 1.87 2bs9H1 ARG 49 HB3 -0.47 -0.08 0.10 -0.04 1.80 1.32 2bs9H1 ARG 49 HG2 -0.18 0.01 0.05 -0.04 1.67 1.50 2bs9H1 ARG 49 HG3 -0.17 0.10 0.07 -0.04 1.67 1.63 2bs9H1 ARG 49 HD2 -0.04 -0.04 0.02 -0.04 3.22 3.12 2bs9H1 ARG 49 HD3 0.01 -0.04 0.04 -0.04 3.22 3.20 2bs9H1 TYR 50 H -0.17 0.34 0.25 -0.55 8.29 8.16 2bs9H1 TYR 50 HA -0.38 0.32 1.06 -0.75 4.56 4.81 2bs9H1 TYR 50 HB2 -0.38 -0.03 -0.02 -0.04 3.06 2.59 2bs9H1 TYR 50 HB3 -0.23 -0.15 -0.00 -0.04 2.98 2.56 2bs9H1 TYR 50 HD2 -0.81 0.03 -0.29 -0.04 7.15 6.04 2bs9H1 TYR 50 HE2 -0.40 0.00 -0.07 -0.04 6.85 6.34 2bs9H1 ILE 51 H -0.22 0.34 0.29 -0.55 8.25 8.12 2bs9H1 ILE 51 HA -0.34 0.34 0.90 -0.75 4.18 4.33 2bs9H1 ILE 51 HB -0.60 0.10 -0.28 -0.04 1.89 1.07 2bs9H1 ILE 51 HG12 -0.45 -0.10 -0.27 -0.04 1.49 0.63 2bs9H1 ILE 51 HG13 -0.40 0.03 -0.18 -0.04 1.21 0.62 2bs9H1 ILE 51 HG23 -0.97 0.02 -0.21 -0.04 0.93 -0.27 2bs9H1 ILE 51 HD13 -0.84 -0.01 -0.16 -0.04 0.88 -0.16 2bs9H1 ARG 52 H -0.18 0.54 0.28 -0.55 8.46 8.54 2bs9H1 ARG 52 HA -0.07 0.30 0.99 -0.75 4.34 4.81 2bs9H1 ARG 52 HB2 -0.28 -0.04 -0.15 -0.04 1.90 1.39 2bs9H1 ARG 52 HB3 -0.15 0.01 0.06 -0.04 1.80 1.67 2bs9H1 ARG 52 HG2 -0.15 0.15 -0.04 -0.04 1.67 1.59 2bs9H1 ARG 52 HG3 -0.64 -0.07 -0.12 -0.04 1.67 0.80 2bs9H1 ARG 52 HD2 -0.10 0.25 -0.08 -0.04 3.22 3.25 2bs9H1 ARG 52 HD3 -0.00 -0.09 -0.56 -0.04 3.22 2.52 2bs9H1 GLY 53 H -0.02 0.30 0.21 -0.55 8.43 8.38 2bs9H1 GLY 53 HA2 0.13 0.14 0.72 -0.51 4.01 4.49 2bs9H1 GLY 53 HA3 0.00 0.12 0.27 -0.51 4.01 3.89 2bs9H1 HIS 54 H 0.07 0.13 0.08 -0.55 8.41 8.15 2bs9H1 HIS 54 HA -0.07 0.21 0.58 -0.75 4.63 4.60 2bs9H1 HIS 54 HB2 0.44 -0.10 -0.05 -0.04 3.26 3.51 2bs9H1 HIS 54 HB3 -0.03 -0.06 0.05 -0.04 3.20 3.11 2bs9H1 HIS 54 HD2 0.66 -0.09 -0.00 -0.04 6.97 7.49 2bs9H1 HIS 54 HE1 -0.25 0.05 -0.12 -0.04 7.75 7.38 2bs9H1 GLY 55 H -0.04 0.21 -0.02 -0.55 8.43 8.04 2bs9H1 GLY 55 HA2 0.25 -0.07 0.35 -0.51 4.01 4.04 2bs9H1 GLY 55 HA3 -0.02 -0.01 0.41 -0.51 4.01 3.88 2bs9H1 LEU 56 H 0.09 0.26 0.05 -0.55 8.37 8.22 2bs9H1 LEU 56 HA 0.11 0.02 0.29 -0.75 4.35 4.01 2bs9H1 LEU 56 HB2 0.12 0.03 0.13 -0.04 1.64 1.88 2bs9H1 LEU 56 HB3 0.19 0.09 0.27 -0.04 1.64 2.14 2bs9H1 LEU 56 HG 0.27 -0.00 -0.34 -0.04 1.64 1.52 2bs9H1 LEU 56 HD13 0.29 -0.00 0.01 -0.04 0.93 1.19 2bs9H1 LEU 56 HD23 0.35 0.00 -0.07 -0.04 0.89 1.14 2bs9H1 LEU 57 H 0.22 0.48 0.08 -0.55 8.37 8.61 2bs9H1 LEU 57 HA 0.21 0.12 0.72 -0.75 4.35 4.66 2bs9H1 LEU 57 HB2 0.37 0.20 -0.11 -0.04 1.64 2.06 2bs9H1 LEU 57 HB3 0.24 -0.04 0.10 -0.04 1.64 1.90 2bs9H1 LEU 57 HG 0.32 -0.09 0.05 -0.04 1.64 1.88 2bs9H1 LEU 57 HD13 0.08 0.01 -0.06 -0.04 0.93 0.92 2bs9H1 LEU 57 HD23 0.15 0.02 -0.09 -0.04 0.89 0.92 2bs9H1 SER 58 H 0.24 0.09 -0.31 -0.55 8.46 7.93 2bs9H1 SER 58 HA 0.32 0.15 0.34 -0.75 4.49 4.54 2bs9H1 SER 58 HB2 0.29 0.09 0.16 -0.04 3.95 4.44 2bs9H1 SER 58 HB3 0.42 -0.03 0.17 -0.04 3.93 4.45 2bs9H1 ASP 59 H 0.24 0.17 0.20 -0.55 8.40 8.46 2bs9H1 ASP 59 HA 0.16 0.15 0.22 -0.75 4.63 4.41 2bs9H1 ASP 59 HB2 0.15 0.04 0.18 -0.04 2.71 3.05 2bs9H1 ASP 59 HB3 0.12 0.09 0.13 -0.04 2.70 3.00 2bs9H1 ASP 60 H 0.13 0.01 -0.09 -0.55 8.40 7.90 2bs9H1 ASP 60 HA 0.10 0.17 0.55 -0.75 4.63 4.69 2bs9H1 ASP 60 HB2 -0.01 0.07 0.02 -0.04 2.71 2.75 2bs9H1 ASP 60 HB3 0.04 0.03 0.07 -0.04 2.70 2.80 2bs9H1 VAL 61 H 0.10 0.09 -0.22 -0.55 8.24 7.66 2bs9H1 VAL 61 HA 0.19 0.04 0.39 -0.75 4.13 4.00 2bs9H1 VAL 61 HB 0.12 0.20 0.06 -0.04 2.12 2.46 2bs9H1 VAL 61 HG13 0.15 -0.02 -0.04 -0.04 0.97 1.03 2bs9H1 VAL 61 HG23 -0.01 -0.05 -0.12 -0.04 0.95 0.73 2bs9H1 GLY 62 H 0.14 0.19 -0.25 -0.55 8.43 7.96 2bs9H1 GLY 62 HA2 0.09 0.13 0.19 -0.51 4.01 3.91 2bs9H1 GLY 62 HA3 0.06 0.08 0.05 -0.51 4.01 3.69 2bs9H1 ILE 63 H 0.13 0.09 -0.16 -0.55 8.25 7.75 2bs9H1 ILE 63 HA -0.06 0.30 0.35 -0.75 4.18 4.02 2bs9H1 ILE 63 HB 0.15 -0.02 0.15 -0.04 1.89 2.13 2bs9H1 ILE 63 HG12 0.11 0.01 -0.01 -0.04 1.49 1.56 2bs9H1 ILE 63 HG13 0.15 -0.01 -0.01 -0.04 1.21 1.29 2bs9H1 ILE 63 HG23 0.03 -0.02 -0.21 -0.04 0.93 0.70 2bs9H1 ILE 63 HD13 0.24 0.02 -0.01 -0.04 0.88 1.08 2bs9H1 TYR 64 H 0.22 0.09 0.01 -0.55 8.29 8.06 2bs9H1 TYR 64 HA -0.03 0.22 0.80 -0.75 4.56 4.80 2bs9H1 TYR 64 HB2 0.11 -0.01 0.08 -0.04 3.06 3.20 2bs9H1 TYR 64 HB3 0.11 -0.10 0.11 -0.04 2.98 3.06 2bs9H1 TYR 64 HD2 0.09 -0.08 -0.15 -0.04 7.15 6.97 2bs9H1 TYR 64 HE2 -0.01 -0.01 -0.18 -0.04 6.85 6.61 2bs9H1 ARG 65 H -0.71 0.64 0.46 -0.55 8.46 8.30 2bs9H1 ARG 65 HA -0.23 0.02 0.75 -0.75 4.34 4.13 2bs9H1 ARG 65 HB2 -0.08 0.02 0.02 -0.04 1.90 1.83 2bs9H1 ARG 65 HB3 -0.15 0.02 0.01 -0.04 1.80 1.65 2bs9H1 ARG 65 HG2 -0.04 0.08 -0.60 -0.04 1.67 1.07 2bs9H1 ARG 65 HG3 -0.04 -0.03 -0.09 -0.04 1.67 1.46 2bs9H1 ARG 65 HD2 -0.06 -0.02 0.06 -0.04 3.22 3.16 2bs9H1 ARG 65 HD3 -0.02 -0.01 0.16 -0.04 3.22 3.31 2bs9H1 GLU 66 H -0.16 0.20 0.22 -0.55 8.60 8.32 2bs9H1 GLU 66 HA -0.16 0.53 0.53 -0.75 4.29 4.44 2bs9H1 GLU 66 HB2 -0.04 -0.07 -0.04 -0.04 2.09 1.90 2bs9H1 GLU 66 HB3 -0.05 0.03 -0.02 -0.04 1.99 1.91 2bs9H1 GLU 66 HG2 -0.21 0.11 -0.37 -0.04 2.34 1.82 2bs9H1 GLU 66 HG3 -0.03 -0.11 -0.19 -0.04 2.34 1.97 2bs9H1 VAL 67 H -0.07 -0.00 0.06 -0.55 8.24 7.68 2bs9H1 VAL 67 HA -0.11 0.00 0.31 -0.75 4.13 3.58 2bs9H1 VAL 67 HB -0.10 0.23 0.01 -0.04 2.12 2.21 2bs9H1 VAL 67 HG13 -0.07 0.00 -0.17 -0.04 0.97 0.69 2bs9H1 VAL 67 HG23 -0.27 0.01 -0.23 -0.04 0.95 0.42 2bs9H1 GLU 68 H -0.06 0.13 0.15 -0.55 8.60 8.27 2bs9H1 GLU 68 HA -0.03 0.29 0.63 -0.75 4.29 4.44 2bs9H1 GLU 68 HB2 -0.03 -0.01 0.01 -0.04 2.09 2.02 2bs9H1 GLU 68 HB3 -0.04 0.01 0.16 -0.04 1.99 2.08 2bs9H1 GLU 68 HG2 -0.02 -0.08 -0.31 -0.04 2.34 1.89 2bs9H1 GLU 68 HG3 -0.02 -0.01 -0.21 -0.04 2.34 2.07 2bs9H1 ILE 69 H -0.02 0.81 0.34 -0.55 8.25 8.83 2bs9H1 ILE 69 HA -0.02 0.07 0.83 -0.75 4.18 4.31 2bs9H1 ILE 69 HB -0.01 0.08 0.09 -0.04 1.89 2.01 2bs9H1 ILE 69 HG12 -0.03 0.01 -0.10 -0.04 1.49 1.34 2bs9H1 ILE 69 HG13 -0.03 -0.08 -0.73 -0.04 1.21 0.32 2bs9H1 ILE 69 HG23 -0.00 -0.00 -0.12 -0.04 0.93 0.76 2bs9H1 ILE 69 HD13 -0.00 0.01 -0.10 -0.04 0.88 0.75 2bs9H1 ASP 70 H -0.01 0.15 0.11 -0.55 8.40 8.10 2bs9H1 ASP 70 HA -0.01 0.02 0.33 -0.75 4.63 4.22 2bs9H1 ASP 70 HB2 -0.00 0.22 0.16 -0.04 2.71 3.05 2bs9H1 ASP 70 HB3 -0.00 0.00 0.21 -0.04 2.70 2.87 2bs9H1 GLY 71 H -0.01 0.02 -0.21 -0.55 8.43 7.69 2bs9H1 GLY 71 HA2 -0.01 -0.03 0.20 -0.51 4.01 3.66 2bs9H1 GLY 71 HA3 -0.00 0.09 0.37 -0.51 4.01 3.95 2bs9H1 GLU 72 H -0.01 0.08 -0.33 -0.55 8.60 7.80 2bs9H1 GLU 72 HA 0.00 0.09 0.75 -0.75 4.29 4.37 2bs9H1 GLU 72 HB2 0.00 0.13 -0.23 -0.04 2.09 1.94 2bs9H1 GLU 72 HB3 0.00 0.02 -0.12 -0.04 1.99 1.85 2bs9H1 GLU 72 HG2 0.01 -0.04 0.07 -0.04 2.34 2.34 2bs9H1 GLU 72 HG3 0.01 0.04 -0.07 -0.04 2.34 2.27 2bs9H1 MET 73 H 0.00 0.14 0.10 -0.55 8.47 8.17 2bs9H1 MET 73 HA -0.02 0.08 0.60 -0.75 4.52 4.43 2bs9H1 MET 73 HB2 0.01 0.01 0.11 -0.04 2.15 2.24 2bs9H1 MET 73 HB3 -0.00 0.02 -0.05 -0.04 2.03 1.96 2bs9H1 MET 73 HG2 0.00 -0.01 -0.02 -0.04 2.63 2.56 2bs9H1 MET 73 HG3 0.01 0.04 -0.05 -0.04 2.56 2.51 2bs9H1 MET 73 HE3 -0.03 -0.00 -0.22 -0.04 2.10 1.81 2bs9H1 LYS 74 H -0.03 0.65 0.38 -0.55 8.42 8.87 2bs9H1 LYS 74 HA 0.00 0.16 0.93 -0.75 4.32 4.66 2bs9H1 LYS 74 HB2 -0.01 0.03 0.07 -0.04 1.87 1.91 2bs9H1 LYS 74 HB3 -0.01 0.08 -0.06 -0.04 1.79 1.76 2bs9H1 LYS 74 HG2 0.01 -0.01 0.02 -0.04 1.46 1.44 2bs9H1 LYS 74 HG3 0.01 0.03 -0.00 -0.04 1.46 1.46 2bs9H1 LYS 74 HD2 0.01 -0.01 -0.11 -0.04 1.69 1.54 2bs9H1 LYS 74 HD3 -0.00 0.00 -0.04 -0.04 1.68 1.60 2bs9H1 LYS 74 HE2 0.01 -0.01 -0.05 -0.04 2.99 2.90 2bs9H1 LYS 74 HE3 0.01 -0.03 -0.04 -0.04 2.99 2.89 2bs9H1 PRO 75 HA -0.32 0.21 0.67 -0.51 4.44 4.48 2bs9H1 PRO 75 HB2 -0.31 0.02 -0.02 -0.04 2.28 1.93 2bs9H1 PRO 75 HB3 0.08 -0.01 0.07 -0.04 2.02 2.12 2bs9H1 PRO 75 HG2 0.04 0.03 0.10 -0.04 2.03 2.16 2bs9H1 PRO 75 HG3 0.09 0.01 0.07 -0.04 2.03 2.16 2bs9H1 PRO 75 HD2 0.01 0.09 0.22 -0.04 3.68 3.96 2bs9H1 PRO 75 HD3 0.03 0.13 0.22 -0.04 3.65 4.00 2bs9H1 PHE 76 H -0.52 0.76 0.45 -0.55 8.34 8.47 2bs9H1 PHE 76 HA -0.33 0.08 0.62 -0.75 4.62 4.23 2bs9H1 PHE 76 HB2 -0.22 0.04 -0.09 -0.04 3.15 2.84 2bs9H1 PHE 76 HB3 -0.29 -0.05 -0.01 -0.04 3.06 2.67 2bs9H1 PHE 76 HD2 -0.16 0.03 -0.16 -0.04 7.28 6.94 2bs9H1 PHE 76 HE2 -0.10 -0.04 -0.08 -0.04 7.38 7.12 2bs9H1 PHE 76 HZ -0.07 -0.03 -0.03 -0.04 7.32 7.14 2bs9H1 TYR 77 H -0.83 0.19 0.09 -0.55 8.29 7.19 2bs9H1 TYR 77 HA -0.40 0.42 0.97 -0.75 4.56 4.79 2bs9H1 TYR 77 HB2 -0.52 -0.01 0.14 -0.04 3.06 2.63 2bs9H1 TYR 77 HB3 -0.90 0.01 -0.05 -0.04 2.98 2.00 2bs9H1 TYR 77 HD2 -0.09 0.02 -0.08 -0.04 7.15 6.96 2bs9H1 TYR 77 HE2 0.12 -0.01 -0.08 -0.04 6.85 6.84 2bs9H1 ASN 78 H -0.24 0.79 0.31 -0.55 8.53 8.84 2bs9H1 ASN 78 HA -0.19 0.06 0.76 -0.75 4.76 4.63 2bs9H1 ASN 78 HB2 0.18 0.02 0.04 -0.04 2.88 3.08 2bs9H1 ASN 78 HB3 -0.03 0.27 0.14 -0.04 2.79 3.12 2bs9H1 ASN 78 HD21 -0.06 -0.03 -0.00 -0.04 7.03 6.90 2bs9H1 ASN 78 HD22 0.00 0.06 -0.00 -0.04 7.74 7.76 2bs9H1 PHE 79 H -0.14 0.26 0.13 -0.55 8.34 8.04 2bs9H1 PHE 79 HA 0.05 0.16 0.72 -0.75 4.62 4.79 2bs9H1 PHE 79 HB2 -0.28 0.06 0.06 -0.04 3.15 2.94 2bs9H1 PHE 79 HB3 0.01 -0.03 0.12 -0.04 3.06 3.13 2bs9H1 PHE 79 HD2 -0.16 -0.01 -0.04 -0.04 7.28 7.02 2bs9H1 PHE 79 HE2 -0.15 -0.00 -0.07 -0.04 7.38 7.11 2bs9H1 PHE 79 HZ -0.23 0.03 -0.22 -0.04 7.32 6.85 2bs9H1 THR 80 H 0.01 0.14 -0.31 -0.55 8.28 7.57 2bs9H1 THR 80 HA 0.08 0.08 0.25 -0.75 4.39 4.05 2bs9H1 THR 80 HB -0.20 0.02 0.08 -0.04 4.32 4.18 2bs9H1 THR 80 HG23 -0.07 0.02 -0.12 -0.04 1.22 1.01 2bs9H1 TYR 81 H 0.08 0.19 -0.11 -0.55 8.29 7.91 2bs9H1 TYR 81 HA 0.03 0.12 0.61 -0.75 4.56 4.56 2bs9H1 TYR 81 HB2 0.04 0.31 0.19 -0.04 3.06 3.55 2bs9H1 TYR 81 HB3 -0.00 -0.05 -0.01 -0.04 2.98 2.88 2bs9H1 TYR 81 HD2 0.01 0.09 0.01 -0.04 7.15 7.21 2bs9H1 TYR 81 HE2 -0.00 0.03 -0.00 -0.04 6.85 6.83 2bs9H1 ILE 82 H 0.26 0.17 -0.08 -0.55 8.25 8.04 2bs9H1 ILE 82 HA 0.10 0.08 0.53 -0.75 4.18 4.14 2bs9H1 ILE 82 HB 0.43 0.06 -0.16 -0.04 1.89 2.19 2bs9H1 ILE 82 HG12 0.38 0.04 -0.00 -0.04 1.49 1.87 2bs9H1 ILE 82 HG13 0.29 -0.02 0.07 -0.04 1.21 1.51 2bs9H1 ILE 82 HG23 0.21 -0.00 0.02 -0.04 0.93 1.11 2bs9H1 ILE 82 HD13 0.59 0.01 -0.02 -0.04 0.88 1.42 2bs9H1 ASP 83 H 0.29 0.45 -0.21 -0.55 8.40 8.39 2bs9H1 ASP 83 HA 0.31 0.06 0.52 -0.75 4.63 4.76 2bs9H1 ASP 83 HB2 0.20 0.17 0.14 -0.04 2.71 3.17 2bs9H1 ASP 83 HB3 0.16 -0.01 -0.05 -0.04 2.70 2.76 2bs9H1 ARG 84 H 0.14 0.35 -0.16 -0.55 8.46 8.24 2bs9H1 ARG 84 HA 0.06 0.03 0.33 -0.75 4.34 4.01 2bs9H1 ARG 84 HB2 0.11 0.09 0.18 -0.04 1.90 2.23 2bs9H1 ARG 84 HB3 0.06 0.07 0.12 -0.04 1.80 2.00 2bs9H1 ARG 84 HG2 -0.00 0.00 -0.07 -0.04 1.67 1.56 2bs9H1 ARG 84 HG3 0.04 -0.02 0.03 -0.04 1.67 1.68 2bs9H1 ARG 84 HD2 -0.02 0.00 -0.03 -0.04 3.22 3.13 2bs9H1 ARG 84 HD3 0.01 -0.01 -0.02 -0.04 3.22 3.16 2bs9H1 ILE 85 H -0.01 0.48 -0.19 -0.55 8.25 7.98 2bs9H1 ILE 85 HA -0.26 0.05 0.29 -0.75 4.18 3.50 2bs9H1 ILE 85 HB -0.12 -0.04 0.20 -0.04 1.89 1.88 2bs9H1 ILE 85 HG12 -0.31 -0.06 -0.12 -0.04 1.49 0.97 2bs9H1 ILE 85 HG13 -0.15 0.08 -0.00 -0.04 1.21 1.09 2bs9H1 ILE 85 HG23 -0.58 -0.01 -0.21 -0.04 0.93 0.08 2bs9H1 ILE 85 HD13 -0.14 -0.05 -0.19 -0.04 0.88 0.45 2bs9H1 VAL 86 H -0.09 0.72 -0.01 -0.55 8.24 8.31 2bs9H1 VAL 86 HA -0.41 0.02 0.44 -0.75 4.13 3.42 2bs9H1 VAL 86 HB 0.04 0.13 0.16 -0.04 2.12 2.41 2bs9H1 VAL 86 HG13 -0.55 0.00 -0.03 -0.04 0.97 0.36 2bs9H1 VAL 86 HG23 -0.25 -0.02 0.05 -0.04 0.95 0.68 2bs9H1 ASP 87 H 0.06 0.59 -0.21 -0.55 8.40 8.29 2bs9H1 ASP 87 HA 0.11 0.02 0.45 -0.75 4.63 4.46 2bs9H1 ASP 87 HB2 0.05 0.15 0.11 -0.04 2.71 2.98 2bs9H1 ASP 87 HB3 0.07 -0.07 -0.06 -0.04 2.70 2.60 2bs9H1 SER 88 H -0.08 0.47 -0.26 -0.55 8.46 8.05 2bs9H1 SER 88 HA 0.01 0.00 0.40 -0.75 4.49 4.14 2bs9H1 SER 88 HB2 0.01 -0.07 0.02 -0.04 3.95 3.88 2bs9H1 SER 88 HB3 -0.03 -0.02 0.07 -0.04 3.93 3.91 2bs9H1 TYR 89 H -0.09 0.32 -0.23 -0.55 8.29 7.74 2bs9H1 TYR 89 HA -0.13 0.01 0.46 -0.75 4.56 4.14 2bs9H1 TYR 89 HB2 -0.25 0.09 0.21 -0.04 3.06 3.07 2bs9H1 TYR 89 HB3 -0.28 0.30 -0.06 -0.04 2.98 2.90 2bs9H1 TYR 89 HD2 -0.24 0.00 -0.13 -0.04 7.15 6.75 2bs9H1 TYR 89 HE2 -0.08 -0.07 -0.12 -0.04 6.85 6.54 2bs9H1 LEU 90 H -0.03 0.49 -0.01 -0.55 8.37 8.27 2bs9H1 LEU 90 HA -0.08 0.09 0.36 -0.75 4.35 3.96 2bs9H1 LEU 90 HB2 -0.00 0.03 0.14 -0.04 1.64 1.76 2bs9H1 LEU 90 HB3 -0.01 -0.05 0.02 -0.04 1.64 1.56 2bs9H1 LEU 90 HG -0.17 0.09 0.10 -0.04 1.64 1.62 2bs9H1 LEU 90 HD13 -0.13 -0.03 -0.02 -0.04 0.93 0.71 2bs9H1 LEU 90 HD23 -0.07 0.02 -0.07 -0.04 0.89 0.73 2bs9H1 ALA 91 H 0.01 0.56 -0.18 -0.55 8.40 8.24 2bs9H1 ALA 91 HA 0.01 -0.02 0.43 -0.75 4.34 4.00 2bs9H1 ALA 91 HB3 0.02 -0.01 0.07 -0.04 1.41 1.45 2bs9H1 LEU 92 H -0.01 0.39 -0.63 -0.55 8.37 7.57 2bs9H1 LEU 92 HA -0.02 0.10 0.76 -0.75 4.35 4.43 2bs9H1 LEU 92 HB2 -0.02 0.11 0.11 -0.04 1.64 1.80 2bs9H1 LEU 92 HB3 -0.04 -0.02 0.12 -0.04 1.64 1.66 2bs9H1 LEU 92 HG 0.02 -0.02 -0.17 -0.04 1.64 1.43 2bs9H1 LEU 92 HD13 0.05 -0.03 -0.11 -0.04 0.93 0.80 2bs9H1 LEU 92 HD23 0.01 -0.01 -0.04 -0.04 0.89 0.81 2bs9H1 ASN 93 H -0.06 0.40 -0.39 -0.55 8.53 7.94 2bs9H1 ASN 93 HA -0.11 -0.01 0.30 -0.75 4.76 4.19 2bs9H1 ASN 93 HB2 -0.08 0.11 -0.02 -0.04 2.88 2.84 2bs9H1 ASN 93 HB3 -0.10 -0.06 0.16 -0.04 2.79 2.75 2bs9H1 ASN 93 HD21 -0.03 -0.06 -0.06 -0.04 7.03 6.85 2bs9H1 ASN 93 HD22 -0.04 0.04 -0.25 -0.04 7.74 7.44 2bs9H1 ILE 94 H -0.17 0.40 -0.23 -0.55 8.25 7.71 2bs9H1 ILE 94 HA -0.35 0.32 0.61 -0.75 4.18 4.01 2bs9H1 ILE 94 HB -0.25 0.16 -0.22 -0.04 1.89 1.54 2bs9H1 ILE 94 HG12 -0.49 -0.14 -0.47 -0.04 1.49 0.36 2bs9H1 ILE 94 HG13 -0.36 0.13 -0.70 -0.04 1.21 0.24 2bs9H1 ILE 94 HG23 -0.44 -0.03 -0.21 -0.04 0.93 0.21 2bs9H1 ILE 94 HD13 -0.34 0.02 -0.25 -0.04 0.88 0.26 2bs9H1 ARG 95 H -0.65 0.71 0.27 -0.55 8.46 8.24 2bs9H1 ARG 95 HA -0.50 0.13 0.79 -0.75 4.34 4.00 2bs9H1 ARG 95 HB2 -1.01 0.01 -0.04 -0.04 1.90 0.82 2bs9H1 ARG 95 HB3 -0.59 -0.01 0.00 -0.04 1.80 1.16 2bs9H1 ARG 95 HG2 -0.36 -0.07 -0.38 -0.04 1.67 0.81 2bs9H1 ARG 95 HG3 -0.64 0.10 -0.04 -0.04 1.67 1.05 2bs9H1 ARG 95 HD2 0.18 -0.00 -0.08 -0.04 3.22 3.28 2bs9H1 ARG 95 HD3 -0.04 -0.05 -0.10 -0.04 3.22 2.99 2bs9H1 PRO 96 HA -0.38 0.15 0.58 -0.51 4.44 4.29 2bs9H1 PRO 96 HB2 -0.63 -0.05 -0.00 -0.04 2.28 1.56 2bs9H1 PRO 96 HB3 -0.41 -0.02 0.07 -0.04 2.02 1.62 2bs9H1 PRO 96 HG2 -2.60 0.03 0.15 -0.04 2.03 -0.43 2bs9H1 PRO 96 HG3 -1.60 -0.00 0.09 -0.04 2.03 0.49 2bs9H1 PRO 96 HD2 -1.73 0.14 0.20 -0.04 3.68 2.25 2bs9H1 PRO 96 HD3 -0.82 0.18 0.20 -0.04 3.65 3.17 2bs9H1 PHE 97 H -0.07 0.48 0.24 -0.55 8.34 8.44 2bs9H1 PHE 97 HA -0.26 0.09 0.73 -0.75 4.62 4.43 2bs9H1 PHE 97 HB2 -0.20 -0.00 -0.04 -0.04 3.15 2.86 2bs9H1 PHE 97 HB3 -0.17 -0.08 -0.05 -0.04 3.06 2.71 2bs9H1 PHE 97 HD2 -0.23 0.08 -0.35 -0.04 7.28 6.74 2bs9H1 PHE 97 HE2 -0.32 -0.03 -0.26 -0.04 7.38 6.73 2bs9H1 PHE 97 HZ -0.55 -0.03 -0.24 -0.04 7.32 6.46 2bs9H1 ILE 98 H -0.33 0.51 0.02 -0.55 8.25 7.90 2bs9H1 ILE 98 HA -0.09 -0.05 0.38 -0.75 4.18 3.66 2bs9H1 ILE 98 HB -0.47 0.22 0.15 -0.04 1.89 1.75 2bs9H1 ILE 98 HG12 -0.01 -0.09 0.00 -0.04 1.49 1.35 2bs9H1 ILE 98 HG13 -0.29 -0.02 -0.05 -0.04 1.21 0.81 2bs9H1 ILE 98 HG23 -0.27 -0.05 -0.21 -0.04 0.93 0.35 2bs9H1 ILE 98 HD13 -0.10 0.02 -0.01 -0.04 0.88 0.74 2bs9H1 GLU 99 H -0.01 0.14 0.22 -0.55 8.60 8.41 2bs9H1 GLU 99 HA 0.11 0.28 0.85 -0.75 4.29 4.78 2bs9H1 GLU 99 HB2 0.03 0.07 -0.04 -0.04 2.09 2.11 2bs9H1 GLU 99 HB3 0.03 -0.01 0.19 -0.04 1.99 2.15 2bs9H1 GLU 99 HG2 0.10 0.03 -0.26 -0.04 2.34 2.17 2bs9H1 GLU 99 HG3 0.05 0.06 -0.15 -0.04 2.34 2.26 2bs9H1 PHE 100 H 0.26 0.74 0.24 -0.55 8.34 9.02 2bs9H1 PHE 100 HA 0.25 0.01 0.61 -0.75 4.62 4.74 2bs9H1 PHE 100 HB2 0.44 -0.00 0.27 -0.04 3.15 3.81 2bs9H1 PHE 100 HB3 0.45 -0.01 0.03 -0.04 3.06 3.49 2bs9H1 PHE 100 HD2 0.22 -0.02 -0.08 -0.04 7.28 7.37 2bs9H1 PHE 100 HE2 0.18 0.03 -0.09 -0.04 7.38 7.45 2bs9H1 PHE 100 HZ 0.14 0.05 -0.06 -0.04 7.32 7.41 2bs9H1 GLY 101 H 0.32 0.27 0.38 -0.55 8.43 8.86 2bs9H1 GLY 101 HA2 0.56 0.15 0.28 -0.51 4.01 4.49 2bs9H1 GLY 101 HA3 -0.32 0.06 0.44 -0.51 4.01 3.68 2bs9H1 PHE 102 H 0.18 -0.08 0.07 -0.55 8.34 7.96 2bs9H1 PHE 102 HA -0.40 0.15 0.32 -0.75 4.62 3.94 2bs9H1 PHE 102 HB2 0.19 -0.12 0.13 -0.04 3.15 3.32 2bs9H1 PHE 102 HB3 0.12 0.39 0.15 -0.04 3.06 3.69 2bs9H1 PHE 102 HD2 -0.58 0.03 0.05 -0.04 7.28 6.73 2bs9H1 PHE 102 HE2 -0.13 0.05 -0.02 -0.04 7.38 7.23 2bs9H1 PHE 102 HZ -0.45 0.02 -0.07 -0.04 7.32 6.78 2bs9H1 MET 103 H 0.65 0.63 0.24 -0.55 8.47 9.44 2bs9H1 MET 103 HA 0.67 0.13 0.36 -0.75 4.52 4.92 2bs9H1 MET 103 HB2 0.56 0.10 0.02 -0.04 2.15 2.80 2bs9H1 MET 103 HB3 0.35 -0.12 0.04 -0.04 2.03 2.26 2bs9H1 MET 103 HG2 0.12 0.03 -0.26 -0.04 2.63 2.47 2bs9H1 MET 103 HG3 0.21 0.07 -0.30 -0.04 2.56 2.51 2bs9H1 MET 103 HE3 0.22 0.01 -0.15 -0.04 2.10 2.15 2bs9H1 PRO 104 HA 0.27 0.02 0.65 -0.51 4.44 4.87 2bs9H1 PRO 104 HB2 0.23 -0.12 0.02 -0.04 2.28 2.37 2bs9H1 PRO 104 HB3 0.32 0.12 0.13 -0.04 2.02 2.55 2bs9H1 PRO 104 HG2 0.15 0.01 0.08 -0.04 2.03 2.23 2bs9H1 PRO 104 HG3 0.29 0.33 0.13 -0.04 2.03 2.73 2bs9H1 PRO 104 HD2 0.45 0.04 0.16 -0.04 3.68 4.28 2bs9H1 PRO 104 HD3 0.61 0.28 0.21 -0.04 3.65 4.71 2bs9H1 LYS 105 H 0.19 0.15 0.23 -0.55 8.42 8.44 2bs9H1 LYS 105 HA 0.13 0.10 0.30 -0.75 4.32 4.10 2bs9H1 LYS 105 HB2 0.13 -0.02 0.22 -0.04 1.87 2.16 2bs9H1 LYS 105 HB3 0.11 0.03 0.06 -0.04 1.79 1.95 2bs9H1 LYS 105 HG2 0.07 0.03 0.03 -0.04 1.46 1.55 2bs9H1 LYS 105 HG3 0.08 0.02 0.08 -0.04 1.46 1.61 2bs9H1 LYS 105 HD2 0.07 -0.01 0.05 -0.04 1.69 1.76 2bs9H1 LYS 105 HD3 0.06 0.00 -0.00 -0.04 1.68 1.69 2bs9H1 LYS 105 HE2 0.04 0.00 -0.01 -0.04 2.99 2.98 2bs9H1 LYS 105 HE3 0.05 0.03 0.02 -0.04 2.99 3.04 2bs9H1 ALA 106 H 0.21 0.09 -0.22 -0.55 8.40 7.93 2bs9H1 ALA 106 HA 0.12 0.11 0.33 -0.75 4.34 4.15 2bs9H1 ALA 106 HB3 0.26 0.01 -0.02 -0.04 1.41 1.61 2bs9H1 LEU 107 H 0.15 0.39 -0.43 -0.55 8.37 7.94 2bs9H1 LEU 107 HA 0.05 0.16 0.90 -0.75 4.35 4.72 2bs9H1 LEU 107 HB2 0.10 0.12 0.01 -0.04 1.64 1.83 2bs9H1 LEU 107 HB3 0.03 -0.13 0.07 -0.04 1.64 1.57 2bs9H1 LEU 107 HG -0.34 -0.06 -0.19 -0.04 1.64 1.01 2bs9H1 LEU 107 HD13 -0.27 -0.00 -0.09 -0.04 0.93 0.52 2bs9H1 LEU 107 HD23 -0.19 0.02 -0.15 -0.04 0.89 0.54 2bs9H1 ALA 108 H 0.10 0.27 -0.17 -0.55 8.40 8.05 2bs9H1 ALA 108 HA 0.03 0.02 0.21 -0.75 4.34 3.85 2bs9H1 ALA 108 HB3 0.07 0.03 0.03 -0.04 1.41 1.50 2bs9H1 SER 109 H -0.05 0.30 0.14 -0.55 8.46 8.31 2bs9H1 SER 109 HA -0.03 0.14 0.67 -0.75 4.49 4.51 2bs9H1 SER 109 HB2 -0.07 -0.06 0.04 -0.04 3.95 3.83 2bs9H1 SER 109 HB3 -0.08 0.00 -0.16 -0.04 3.93 3.65 2bs9H1 GLY 110 H -0.03 0.10 0.01 -0.55 8.43 7.96 2bs9H1 GLY 110 HA2 -0.03 0.20 0.51 -0.51 4.01 4.18 2bs9H1 GLY 110 HA3 -0.05 -0.05 0.35 -0.51 4.01 3.75 2bs9H1 ASP 111 H -0.03 0.13 0.12 -0.55 8.40 8.06 2bs9H1 ASP 111 HA -0.00 0.27 0.77 -0.75 4.63 4.92 2bs9H1 ASP 111 HB2 -0.02 -0.02 0.07 -0.04 2.71 2.70 2bs9H1 ASP 111 HB3 -0.02 0.01 0.10 -0.04 2.70 2.76 2bs9H1 GLN 112 H -0.05 -0.01 -0.12 -0.55 8.47 7.75 2bs9H1 GLN 112 HA -0.07 0.06 0.41 -0.75 4.36 4.01 2bs9H1 GLN 112 HB2 -0.08 -0.04 0.07 -0.04 2.15 2.06 2bs9H1 GLN 112 HB3 -0.08 -0.07 -0.03 -0.04 2.02 1.80 2bs9H1 GLN 112 HG2 -0.13 0.17 -0.20 -0.04 2.40 2.20 2bs9H1 GLN 112 HG3 -0.10 -0.01 0.03 -0.04 2.39 2.27 2bs9H1 GLN 112 HE21 -0.11 0.31 -0.08 -0.04 6.97 7.04 2bs9H1 GLN 112 HE22 -0.17 0.12 -0.10 -0.04 7.69 7.50 2bs9H1 THR 113 H -0.11 0.16 0.25 -0.55 8.28 8.03 2bs9H1 THR 113 HA -0.15 0.15 1.04 -0.75 4.39 4.68 2bs9H1 THR 113 HB -0.15 -0.05 -0.11 -0.04 4.32 3.97 2bs9H1 THR 113 HG23 -0.03 0.05 -0.23 -0.04 1.22 0.97 2bs9H1 VAL 114 H -0.44 0.62 0.33 -0.55 8.24 8.20 2bs9H1 VAL 114 HA -0.48 0.15 0.79 -0.75 4.13 3.83 2bs9H1 VAL 114 HB -0.78 0.37 0.04 -0.04 2.12 1.71 2bs9H1 VAL 114 HG13 -1.26 -0.02 -0.05 -0.04 0.97 -0.40 2bs9H1 VAL 114 HG23 -1.44 -0.03 0.01 -0.04 0.95 -0.55 2bs9H1 PHE 115 H -0.41 0.16 0.13 -0.55 8.34 7.67 2bs9H1 PHE 115 HA -0.20 0.15 0.47 -0.75 4.62 4.28 2bs9H1 PHE 115 HB2 -1.28 0.06 0.29 -0.04 3.15 2.18 2bs9H1 PHE 115 HB3 -0.67 -0.03 0.27 -0.04 3.06 2.59 2bs9H1 PHE 115 HD2 -0.85 0.04 0.01 -0.04 7.28 6.44 2bs9H1 PHE 115 HE2 0.19 0.03 -0.04 -0.04 7.38 7.52 2bs9H1 PHE 115 HZ 0.47 0.06 -0.05 -0.04 7.32 7.76 2bs9H1 TYR 116 H 0.24 0.61 0.34 -0.55 8.29 8.93 2bs9H1 TYR 116 HA 0.04 0.09 0.55 -0.75 4.56 4.49 2bs9H1 TYR 116 HB2 0.09 0.02 0.14 -0.04 3.06 3.26 2bs9H1 TYR 116 HB3 0.15 0.16 0.21 -0.04 2.98 3.46 2bs9H1 TYR 116 HD2 0.17 0.06 0.02 -0.04 7.15 7.36 2bs9H1 TYR 116 HE2 0.07 0.01 -0.02 -0.04 6.85 6.87 2bs9H1 TRP 117 H -0.12 0.00 -0.20 -0.55 7.97 7.11 2bs9H1 TRP 117 HA -0.26 0.22 0.52 -0.75 4.62 4.35 2bs9H1 TRP 117 HB2 0.02 -0.01 0.07 -0.04 3.23 3.26 2bs9H1 TRP 117 HB3 -0.02 0.03 -0.02 -0.04 3.23 3.17 2bs9H1 TRP 117 HD1 0.09 0.19 -0.23 -0.04 7.22 7.23 2bs9H1 TRP 117 HE1 -0.44 -0.11 -0.10 -0.04 10.20 9.52 2bs9H1 TRP 117 HE3 0.16 0.07 -0.20 -0.04 7.59 7.58 2bs9H1 TRP 117 HZ2 0.08 0.01 -0.03 -0.04 7.44 7.46 2bs9H1 TRP 117 HZ3 0.38 -0.07 0.01 -0.04 7.13 7.41 2bs9H1 TRP 117 HH2 0.55 -0.05 -0.07 -0.04 7.19 7.58 2bs9H1 LYS 118 H -0.20 0.26 -0.43 -0.55 8.42 7.49 2bs9H1 LYS 118 HA -0.16 0.10 0.20 -0.75 4.32 3.70 2bs9H1 LYS 118 HB2 0.03 0.06 -0.32 -0.04 1.87 1.60 2bs9H1 LYS 118 HB3 -0.01 -0.04 0.07 -0.04 1.79 1.77 2bs9H1 LYS 118 HG2 -0.06 -0.00 -0.07 -0.04 1.46 1.28 2bs9H1 LYS 118 HG3 -0.06 0.15 -0.19 -0.04 1.46 1.31 2bs9H1 LYS 118 HD2 -0.01 -0.03 -0.06 -0.04 1.69 1.55 2bs9H1 LYS 118 HD3 -0.02 -0.02 -0.03 -0.04 1.68 1.56 2bs9H1 LYS 118 HE2 -0.02 -0.02 -0.02 -0.04 2.99 2.88 2bs9H1 LYS 118 HE3 -0.05 0.10 -0.00 -0.04 2.99 3.00 2bs9H1 GLY 119 H -0.49 0.35 0.16 -0.55 8.43 7.90 2bs9H1 GLY 119 HA2 0.25 0.01 0.72 -0.51 4.01 4.48 2bs9H1 GLY 119 HA3 -0.16 -0.05 0.35 -0.51 4.01 3.64 2bs9H1 ASN 120 H 0.22 0.14 0.24 -0.55 8.53 8.58 2bs9H1 ASN 120 HA 0.01 0.25 0.74 -0.75 4.76 5.01 2bs9H1 ASN 120 HB2 0.12 0.02 0.10 -0.04 2.88 3.09 2bs9H1 ASN 120 HB3 0.22 0.12 0.19 -0.04 2.79 3.28 2bs9H1 ASN 120 HD21 0.03 0.28 0.08 -0.04 7.03 7.39 2bs9H1 ASN 120 HD22 0.05 -0.04 -0.04 -0.04 7.74 7.68 2bs9H1 VAL 121 H 0.02 0.57 0.18 -0.55 8.24 8.46 2bs9H1 VAL 121 HA 0.68 0.18 0.84 -0.75 4.13 5.08 2bs9H1 VAL 121 HB 0.41 0.13 -0.53 -0.04 2.12 2.08 2bs9H1 VAL 121 HG13 -0.39 0.03 -0.21 -0.04 0.97 0.36 2bs9H1 VAL 121 HG23 -0.07 0.04 -0.33 -0.04 0.95 0.55 2bs9H1 THR 122 H 0.14 0.11 -0.20 -0.55 8.28 7.78 2bs9H1 THR 122 HA -0.25 0.10 0.86 -0.75 4.39 4.35 2bs9H1 THR 122 HB -0.14 0.09 0.11 -0.04 4.32 4.34 2bs9H1 THR 122 HG23 -0.06 -0.02 -0.12 -0.04 1.22 0.97 2bs9H1 PRO 123 HA -0.15 0.12 0.52 -0.51 4.44 4.43 2bs9H1 PRO 123 HB2 -0.16 0.18 -0.08 -0.04 2.28 2.17 2bs9H1 PRO 123 HB3 -0.10 0.01 0.07 -0.04 2.02 1.96 2bs9H1 PRO 123 HG2 -0.25 0.04 0.02 -0.04 2.03 1.80 2bs9H1 PRO 123 HG3 -0.48 0.03 0.06 -0.04 2.03 1.60 2bs9H1 PRO 123 HD2 -0.35 0.01 0.23 -0.04 3.68 3.53 2bs9H1 PRO 123 HD3 -0.94 0.12 0.20 -0.04 3.65 3.00 2bs9H1 PRO 124 HA -0.14 0.26 0.37 -0.51 4.44 4.43 2bs9H1 PRO 124 HB2 -0.26 0.01 -0.19 -0.04 2.28 1.80 2bs9H1 PRO 124 HB3 -0.17 0.02 0.01 -0.04 2.02 1.84 2bs9H1 PRO 124 HG2 -1.60 -0.01 -0.13 -0.04 2.03 0.25 2bs9H1 PRO 124 HG3 -0.94 0.03 -0.00 -0.04 2.03 1.08 2bs9H1 PRO 124 HD2 -0.58 0.08 0.14 -0.04 3.68 3.28 2bs9H1 PRO 124 HD3 -0.68 0.15 0.13 -0.04 3.65 3.22 2bs9H1 LYS 125 H -0.07 0.60 0.16 -0.55 8.42 8.55 2bs9H1 LYS 125 HA -0.06 0.07 0.45 -0.75 4.32 4.02 2bs9H1 LYS 125 HB2 -0.01 -0.03 0.10 -0.04 1.87 1.89 2bs9H1 LYS 125 HB3 -0.01 -0.04 0.04 -0.04 1.79 1.75 2bs9H1 LYS 125 HG2 -0.03 -0.07 0.03 -0.04 1.46 1.35 2bs9H1 LYS 125 HG3 -0.02 0.17 -0.34 -0.04 1.46 1.22 2bs9H1 LYS 125 HD2 0.00 -0.09 -0.00 -0.04 1.69 1.56 2bs9H1 LYS 125 HD3 -0.00 0.02 0.02 -0.04 1.68 1.68 2bs9H1 LYS 125 HE2 0.02 0.26 -0.14 -0.04 2.99 3.08 2bs9H1 LYS 125 HE3 0.02 -0.06 -0.06 -0.04 2.99 2.85 2bs9H1 ASP 126 H -0.06 0.16 -0.10 -0.55 8.40 7.85 2bs9H1 ASP 126 HA 0.04 0.18 0.80 -0.75 4.63 4.90 2bs9H1 ASP 126 HB2 0.03 0.11 -0.04 -0.04 2.71 2.76 2bs9H1 ASP 126 HB3 0.03 -0.03 0.17 -0.04 2.70 2.83 2bs9H1 TYR 127 H 0.21 0.28 0.13 -0.55 8.29 8.36 2bs9H1 TYR 127 HA 0.11 0.09 0.45 -0.75 4.56 4.45 2bs9H1 TYR 127 HB2 0.04 0.02 0.10 -0.04 3.06 3.18 2bs9H1 TYR 127 HB3 0.06 0.05 -0.00 -0.04 2.98 3.05 2bs9H1 TYR 127 HD2 -0.00 -0.01 0.01 -0.04 7.15 7.11 2bs9H1 TYR 127 HE2 -0.14 0.00 -0.03 -0.04 6.85 6.64 2bs9H1 ASN 128 H 0.15 0.10 -0.09 -0.55 8.53 8.14 2bs9H1 ASN 128 HA 0.12 0.17 0.68 -0.75 4.76 4.97 2bs9H1 ASN 128 HB2 0.08 -0.04 0.05 -0.04 2.88 2.93 2bs9H1 ASN 128 HB3 0.07 0.07 -0.06 -0.04 2.79 2.83 2bs9H1 ASN 128 HD21 0.05 0.05 0.00 -0.04 7.03 7.09 2bs9H1 ASN 128 HD22 0.05 0.01 -0.00 -0.04 7.74 7.76 2bs9H1 LYS 129 H 0.09 0.14 -0.28 -0.55 8.42 7.81 2bs9H1 LYS 129 HA 0.08 0.10 0.44 -0.75 4.32 4.19 2bs9H1 LYS 129 HB2 0.04 0.13 0.13 -0.04 1.87 2.13 2bs9H1 LYS 129 HB3 0.01 0.02 -0.01 -0.04 1.79 1.77 2bs9H1 LYS 129 HG2 0.08 0.01 -0.02 -0.04 1.46 1.49 2bs9H1 LYS 129 HG3 0.06 -0.05 0.03 -0.04 1.46 1.46 2bs9H1 LYS 129 HD2 0.09 0.01 -0.03 -0.04 1.69 1.72 2bs9H1 LYS 129 HD3 0.14 0.02 -0.03 -0.04 1.68 1.77 2bs9H1 LYS 129 HE2 0.08 0.03 -0.02 -0.04 2.99 3.04 2bs9H1 LYS 129 HE3 0.06 -0.04 -0.00 -0.04 2.99 2.97 2bs9H1 TRP 130 H 0.21 0.29 -0.14 -0.55 7.97 7.78 2bs9H1 TRP 130 HA -0.09 0.04 0.45 -0.75 4.62 4.27 2bs9H1 TRP 130 HB2 -0.13 -0.00 0.08 -0.04 3.23 3.14 2bs9H1 TRP 130 HB3 -0.02 0.10 0.13 -0.04 3.23 3.40 2bs9H1 TRP 130 HD1 0.05 0.05 -0.19 -0.04 7.22 7.09 2bs9H1 TRP 130 HE1 -0.00 0.06 -0.05 -0.04 10.20 10.16 2bs9H1 TRP 130 HE3 -0.01 -0.03 -0.01 -0.04 7.59 7.50 2bs9H1 TRP 130 HZ2 0.27 0.04 -0.10 -0.04 7.44 7.62 2bs9H1 TRP 130 HZ3 0.24 0.01 -0.04 -0.04 7.13 7.30 2bs9H1 TRP 130 HH2 0.51 -0.02 -0.23 -0.04 7.19 7.41 2bs9H1 ARG 131 H 0.22 0.46 -0.20 -0.55 8.46 8.39 2bs9H1 ARG 131 HA -0.07 0.05 0.45 -0.75 4.34 4.03 2bs9H1 ARG 131 HB2 0.12 0.05 0.14 -0.04 1.90 2.16 2bs9H1 ARG 131 HB3 0.09 0.03 0.23 -0.04 1.80 2.11 2bs9H1 ARG 131 HG2 -0.01 -0.03 -0.32 -0.04 1.67 1.27 2bs9H1 ARG 131 HG3 0.00 0.05 0.02 -0.04 1.67 1.70 2bs9H1 ARG 131 HD2 0.01 0.03 -0.04 -0.04 3.22 3.19 2bs9H1 ARG 131 HD3 0.05 -0.03 0.01 -0.04 3.22 3.21 2bs9H1 ASP 132 H 0.03 0.57 -0.15 -0.55 8.40 8.30 2bs9H1 ASP 132 HA -0.03 0.04 0.46 -0.75 4.63 4.35 2bs9H1 ASP 132 HB2 0.10 0.05 0.13 -0.04 2.71 2.95 2bs9H1 ASP 132 HB3 0.12 -0.04 0.03 -0.04 2.70 2.77 2bs9H1 LEU 133 H -0.09 0.45 -0.32 -0.55 8.37 7.87 2bs9H1 LEU 133 HA -0.04 0.01 0.48 -0.75 4.35 4.04 2bs9H1 LEU 133 HB2 -0.14 0.13 0.16 -0.04 1.64 1.75 2bs9H1 LEU 133 HB3 -0.47 0.11 0.13 -0.04 1.64 1.37 2bs9H1 LEU 133 HG 0.04 -0.03 -0.00 -0.04 1.64 1.61 2bs9H1 LEU 133 HD13 -0.27 -0.01 -0.01 -0.04 0.93 0.59 2bs9H1 LEU 133 HD23 0.08 -0.02 -0.08 -0.04 0.89 0.84 2bs9H1 ILE 134 H -0.48 0.63 -0.01 -0.55 8.25 7.83 2bs9H1 ILE 134 HA -0.54 -0.04 0.42 -0.75 4.18 3.26 2bs9H1 ILE 134 HB -0.37 0.16 0.19 -0.04 1.89 1.83 2bs9H1 ILE 134 HG12 -1.21 0.27 0.05 -0.04 1.49 0.56 2bs9H1 ILE 134 HG13 -0.65 -0.02 -0.00 -0.04 1.21 0.49 2bs9H1 ILE 134 HG23 -0.48 0.02 -0.13 -0.04 0.93 0.30 2bs9H1 ILE 134 HD13 -1.42 -0.03 -0.02 -0.04 0.88 -0.64 2bs9H1 VAL 135 H -0.20 0.58 -0.19 -0.55 8.24 7.88 2bs9H1 VAL 135 HA -0.13 0.07 0.32 -0.75 4.13 3.63 2bs9H1 VAL 135 HB -0.11 0.04 0.12 -0.04 2.12 2.13 2bs9H1 VAL 135 HG13 -0.07 -0.01 -0.14 -0.04 0.97 0.70 2bs9H1 VAL 135 HG23 -0.08 0.05 0.01 -0.04 0.95 0.88 2bs9H1 ALA 136 H -0.25 0.53 -0.19 -0.55 8.40 7.94 2bs9H1 ALA 136 HA -0.20 0.01 0.48 -0.75 4.34 3.88 2bs9H1 ALA 136 HB3 -0.80 0.02 0.11 -0.04 1.41 0.70 2bs9H1 VAL 137 H -0.18 0.59 -0.19 -0.55 8.24 7.91 2bs9H1 VAL 137 HA 0.00 -0.01 0.31 -0.75 4.13 3.67 2bs9H1 VAL 137 HB -0.06 0.12 0.14 -0.04 2.12 2.28 2bs9H1 VAL 137 HG13 -0.18 -0.02 -0.18 -0.04 0.97 0.55 2bs9H1 VAL 137 HG23 0.08 0.01 -0.03 -0.04 0.95 0.97 2bs9H1 VAL 138 H -0.10 0.64 0.00 -0.55 8.24 8.23 2bs9H1 VAL 138 HA 0.17 0.00 0.39 -0.75 4.13 3.94 2bs9H1 VAL 138 HB -0.07 0.07 0.09 -0.04 2.12 2.17 2bs9H1 VAL 138 HG13 -0.05 0.01 -0.11 -0.04 0.97 0.78 2bs9H1 VAL 138 HG23 0.07 0.02 0.02 -0.04 0.95 1.02 2bs9H1 SER 139 H -0.10 0.57 -0.21 -0.55 8.46 8.17 2bs9H1 SER 139 HA -0.06 0.02 0.41 -0.75 4.49 4.11 2bs9H1 SER 139 HB2 -0.09 0.11 0.18 -0.04 3.95 4.11 2bs9H1 SER 139 HB3 -0.06 -0.10 -0.08 -0.04 3.93 3.65 2bs9H1 HIS 140 H -0.16 0.63 -0.12 -0.55 8.41 8.21 2bs9H1 HIS 140 HA -0.29 -0.03 0.44 -0.75 4.63 4.00 2bs9H1 HIS 140 HB2 -0.93 -0.02 0.11 -0.04 3.26 2.39 2bs9H1 HIS 140 HB3 -0.97 0.13 0.17 -0.04 3.20 2.48 2bs9H1 HIS 140 HD2 -0.88 -0.02 -0.08 -0.04 6.97 5.94 2bs9H1 HIS 140 HE1 -0.16 0.01 -0.02 -0.04 7.75 7.53 2bs9H1 PHE 141 H -0.23 0.57 -0.21 -0.55 8.34 7.93 2bs9H1 PHE 141 HA -0.09 -0.03 0.38 -0.75 4.62 4.13 2bs9H1 PHE 141 HB2 0.05 0.21 0.18 -0.04 3.15 3.55 2bs9H1 PHE 141 HB3 -0.09 -0.03 -0.01 -0.04 3.06 2.89 2bs9H1 PHE 141 HD2 0.35 -0.01 -0.05 -0.04 7.28 7.53 2bs9H1 PHE 141 HE2 0.35 -0.06 -0.09 -0.04 7.38 7.54 2bs9H1 PHE 141 HZ 0.23 -0.08 -0.05 -0.04 7.32 7.38 2bs9H1 ILE 142 H 0.00 0.53 -0.18 -0.55 8.25 8.05 2bs9H1 ILE 142 HA -0.09 -0.02 0.28 -0.75 4.18 3.59 2bs9H1 ILE 142 HB -0.05 0.18 0.15 -0.04 1.89 2.13 2bs9H1 ILE 142 HG12 -0.08 -0.11 -0.09 -0.04 1.49 1.17 2bs9H1 ILE 142 HG13 -0.05 0.02 -0.04 -0.04 1.21 1.10 2bs9H1 ILE 142 HG23 -0.06 -0.04 -0.16 -0.04 0.93 0.63 2bs9H1 ILE 142 HD13 -0.03 0.01 -0.12 -0.04 0.88 0.69 2bs9H1 GLU 143 H -0.09 0.59 -0.06 -0.55 8.60 8.49 2bs9H1 GLU 143 HA -0.07 -0.01 0.45 -0.75 4.29 3.90 2bs9H1 GLU 143 HB2 -0.05 0.08 0.17 -0.04 2.09 2.24 2bs9H1 GLU 143 HB3 -0.04 -0.05 -0.00 -0.04 1.99 1.86 2bs9H1 GLU 143 HG2 -0.03 -0.05 0.03 -0.04 2.34 2.24 2bs9H1 GLU 143 HG3 -0.05 0.04 0.03 -0.04 2.34 2.32 2bs9H1 ARG 144 H -0.25 0.49 -0.25 -0.55 8.46 7.90 2bs9H1 ARG 144 HA -0.24 0.05 0.52 -0.75 4.34 3.92 2bs9H1 ARG 144 HB2 -0.42 -0.04 0.08 -0.04 1.90 1.47 2bs9H1 ARG 144 HB3 -0.73 0.06 0.14 -0.04 1.80 1.24 2bs9H1 ARG 144 HG2 -1.26 0.03 -0.15 -0.04 1.67 0.25 2bs9H1 ARG 144 HG3 -0.34 -0.04 0.05 -0.04 1.67 1.30 2bs9H1 ARG 144 HD2 -0.02 -0.06 -0.00 -0.04 3.22 3.10 2bs9H1 ARG 144 HD3 -0.22 0.01 -0.01 -0.04 3.22 2.95 2bs9H1 TYR 145 H -0.14 0.53 0.07 -0.55 8.29 8.19 2bs9H1 TYR 145 HA -0.04 0.14 0.66 -0.75 4.56 4.56 2bs9H1 TYR 145 HB2 -0.21 0.09 0.02 -0.04 3.06 2.92 2bs9H1 TYR 145 HB3 -0.05 -0.05 0.07 -0.04 2.98 2.91 2bs9H1 TYR 145 HD2 0.03 0.08 0.04 -0.04 7.15 7.26 2bs9H1 TYR 145 HE2 0.11 -0.03 -0.05 -0.04 6.85 6.83 2bs9H1 GLY 146 H -0.07 0.41 -0.01 -0.55 8.43 8.21 2bs9H1 GLY 146 HA2 -0.06 0.10 0.42 -0.51 4.01 3.95 2bs9H1 GLY 146 HA3 -0.05 0.07 0.55 -0.51 4.01 4.08 2bs9H1 ILE 147 H -0.07 0.17 0.17 -0.55 8.25 7.97 2bs9H1 ILE 147 HA -0.12 0.09 0.29 -0.75 4.18 3.69 2bs9H1 ILE 147 HB -0.05 0.04 0.12 -0.04 1.89 1.95 2bs9H1 ILE 147 HG12 -0.04 0.03 -0.01 -0.04 1.49 1.43 2bs9H1 ILE 147 HG13 -0.08 0.01 -0.15 -0.04 1.21 0.96 2bs9H1 ILE 147 HG23 -0.06 0.01 0.03 -0.04 0.93 0.87 2bs9H1 ILE 147 HD13 -0.04 0.00 -0.01 -0.04 0.88 0.79 2bs9H1 GLU 148 H -0.08 0.07 -0.11 -0.55 8.60 7.94 2bs9H1 GLU 148 HA -0.09 0.09 0.35 -0.75 4.29 3.88 2bs9H1 GLU 148 HB2 -0.05 -0.02 0.07 -0.04 2.09 2.04 2bs9H1 GLU 148 HB3 -0.05 0.08 -0.07 -0.04 1.99 1.91 2bs9H1 GLU 148 HG2 -0.06 0.04 0.02 -0.04 2.34 2.29 2bs9H1 GLU 148 HG3 -0.06 -0.07 0.03 -0.04 2.34 2.21 2bs9H1 GLU 149 H -0.11 0.15 -0.27 -0.55 8.60 7.82 2bs9H1 GLU 149 HA -0.08 0.06 0.43 -0.75 4.29 3.94 2bs9H1 GLU 149 HB2 -0.03 -0.01 0.09 -0.04 2.09 2.10 2bs9H1 GLU 149 HB3 -0.15 0.19 -0.02 -0.04 1.99 1.97 2bs9H1 GLU 149 HG2 0.07 0.00 -0.01 -0.04 2.34 2.36 2bs9H1 GLU 149 HG3 -0.13 -0.03 -0.20 -0.04 2.34 1.93 2bs9H1 VAL 150 H -0.39 0.42 -0.19 -0.55 8.24 7.54 2bs9H1 VAL 150 HA -1.96 0.02 0.19 -0.75 4.13 1.62 2bs9H1 VAL 150 HB -0.30 0.02 -0.01 -0.04 2.12 1.79 2bs9H1 VAL 150 HG13 -0.10 -0.01 -0.08 -0.04 0.97 0.75 2bs9H1 VAL 150 HG23 -0.85 0.01 -0.26 -0.04 0.95 -0.19 2bs9H1 ARG 151 H -0.18 0.42 -0.37 -0.55 8.46 7.78 2bs9H1 ARG 151 HA 0.05 0.01 0.30 -0.75 4.34 3.95 2bs9H1 ARG 151 HB2 -0.08 0.09 0.07 -0.04 1.90 1.93 2bs9H1 ARG 151 HB3 -0.02 -0.00 0.01 -0.04 1.80 1.74 2bs9H1 ARG 151 HG2 0.02 -0.06 -0.14 -0.04 1.67 1.46 2bs9H1 ARG 151 HG3 -0.06 0.08 -0.03 -0.04 1.67 1.61 2bs9H1 ARG 151 HD2 -0.19 -0.02 -0.10 -0.04 3.22 2.87 2bs9H1 ARG 151 HD3 -0.35 0.01 -0.06 -0.04 3.22 2.78 2bs9H1 THR 152 H -0.06 0.39 -0.36 -0.55 8.28 7.70 2bs9H1 THR 152 HA 0.12 0.10 0.76 -0.75 4.39 4.62 2bs9H1 THR 152 HB 0.17 -0.07 0.10 -0.04 4.32 4.48 2bs9H1 THR 152 HG23 0.02 0.03 0.02 -0.04 1.22 1.25 2bs9H1 TRP 153 H 0.16 0.27 -0.29 -0.55 7.97 7.55 2bs9H1 TRP 153 HA -0.06 0.07 0.53 -0.75 4.62 4.41 2bs9H1 TRP 153 HB2 -0.20 0.13 0.11 -0.04 3.23 3.23 2bs9H1 TRP 153 HB3 -0.60 -0.03 0.17 -0.04 3.23 2.73 2bs9H1 TRP 153 HD1 -0.10 -0.04 -0.26 -0.04 7.22 6.78 2bs9H1 TRP 153 HE1 -0.23 -0.02 -0.10 -0.04 10.20 9.81 2bs9H1 TRP 153 HE3 -0.27 -0.01 0.01 -0.04 7.59 7.28 2bs9H1 TRP 153 HZ2 -0.63 0.01 -0.05 -0.04 7.44 6.73 2bs9H1 TRP 153 HZ3 -1.88 -0.08 -0.01 -0.04 7.13 5.12 2bs9H1 TRP 153 HH2 -0.82 -0.05 -0.01 -0.04 7.19 6.27 2bs9H1 LEU 154 H -0.41 0.21 0.29 -0.55 8.37 7.90 2bs9H1 LEU 154 HA -0.03 0.29 0.63 -0.75 4.35 4.47 2bs9H1 LEU 154 HB2 -1.69 -0.11 0.00 -0.04 1.64 -0.20 2bs9H1 LEU 154 HB3 -0.84 -0.07 -0.09 -0.04 1.64 0.60 2bs9H1 LEU 154 HG -0.37 0.20 -0.51 -0.04 1.64 0.93 2bs9H1 LEU 154 HD13 -0.98 -0.02 -0.14 -0.04 0.93 -0.25 2bs9H1 LEU 154 HD23 -0.20 -0.01 -0.10 -0.04 0.89 0.55 2bs9H1 PHE 155 H 0.48 0.44 0.11 -0.55 8.34 8.82 2bs9H1 PHE 155 HA 0.06 0.18 0.93 -0.75 4.62 5.04 2bs9H1 PHE 155 HB2 0.26 0.10 0.13 -0.04 3.15 3.60 2bs9H1 PHE 155 HB3 0.22 -0.08 -0.06 -0.04 3.06 3.10 2bs9H1 PHE 155 HD2 0.00 0.09 -0.15 -0.04 7.28 7.18 2bs9H1 PHE 155 HE2 0.36 0.04 -0.11 -0.04 7.38 7.63 2bs9H1 PHE 155 HZ 0.34 0.00 -0.06 -0.04 7.32 7.56 2bs9H1 GLU 156 H 0.33 0.87 0.25 -0.55 8.60 9.50 2bs9H1 GLU 156 HA 0.51 0.19 0.67 -0.75 4.29 4.92 2bs9H1 GLU 156 HB2 0.62 0.01 -0.08 -0.04 2.09 2.60 2bs9H1 GLU 156 HB3 0.27 -0.05 0.08 -0.04 1.99 2.25 2bs9H1 GLU 156 HG2 0.23 0.12 -0.26 -0.04 2.34 2.39 2bs9H1 GLU 156 HG3 0.40 -0.07 -0.17 -0.04 2.34 2.46 2bs9H1 VAL 157 H 0.41 0.48 0.29 -0.55 8.24 8.87 2bs9H1 VAL 157 HA 0.60 0.04 0.89 -0.75 4.13 4.91 2bs9H1 VAL 157 HB 0.63 -0.04 0.18 -0.04 2.12 2.85 2bs9H1 VAL 157 HG13 0.40 -0.02 -0.15 -0.04 0.97 1.16 2bs9H1 VAL 157 HG23 0.29 0.04 -0.00 -0.04 0.95 1.24 2bs9H1 TRP 158 H 0.55 0.26 0.16 -0.55 7.97 8.39 2bs9H1 TRP 158 HA 0.20 0.09 0.28 -0.75 4.62 4.44 2bs9H1 TRP 158 HB2 0.20 -0.04 -0.31 -0.04 3.23 3.04 2bs9H1 TRP 158 HB3 0.12 0.14 -0.07 -0.04 3.23 3.38 2bs9H1 TRP 158 HD1 -0.24 0.03 -0.13 -0.04 7.22 6.84 2bs9H1 TRP 158 HE1 0.36 0.44 0.10 -0.04 10.20 11.07 2bs9H1 TRP 158 HE3 0.29 0.18 0.06 -0.04 7.59 8.08 2bs9H1 TRP 158 HZ2 0.52 0.05 0.05 -0.04 7.44 8.01 2bs9H1 TRP 158 HZ3 0.34 -0.01 -0.24 -0.04 7.13 7.18 2bs9H1 TRP 158 HH2 0.39 0.04 0.04 -0.04 7.19 7.62 2bs9H1 ASN 159 H -0.55 0.25 0.07 -0.55 8.53 7.75 2bs9H1 ASN 159 HA -0.08 0.17 0.72 -0.75 4.76 4.81 2bs9H1 ASN 159 HB2 -0.20 0.00 -0.32 -0.04 2.88 2.33 2bs9H1 ASN 159 HB3 -0.29 -0.03 -0.02 -0.04 2.79 2.40 2bs9H1 ASN 159 HD21 -1.06 -0.02 -0.16 -0.04 7.03 5.75 2bs9H1 ASN 159 HD22 -1.55 -0.02 -0.20 -0.04 7.74 5.92 2bs9H1 GLU 160 H -0.13 0.55 0.12 -0.55 8.60 8.59 2bs9H1 GLU 160 HA -0.20 -0.01 0.28 -0.75 4.29 3.61 2bs9H1 GLU 160 HB2 -0.48 0.05 -0.13 -0.04 2.09 1.49 2bs9H1 GLU 160 HB3 -0.06 -0.11 0.13 -0.04 1.99 1.91 2bs9H1 GLU 160 HG2 0.15 0.06 -0.08 -0.04 2.34 2.43 2bs9H1 GLU 160 HG3 -0.20 0.03 -0.08 -0.04 2.34 2.05 2bs9H1 PRO 161 HA 0.19 0.15 0.19 -0.51 4.44 4.45 2bs9H1 PRO 161 HB2 -0.19 -0.01 -0.17 -0.04 2.28 1.87 2bs9H1 PRO 161 HB3 -0.71 0.04 -0.04 -0.04 2.02 1.27 2bs9H1 PRO 161 HG2 -0.64 -0.07 -0.09 -0.04 2.03 1.19 2bs9H1 PRO 161 HG3 -1.50 0.17 -0.03 -0.04 2.03 0.63 2bs9H1 PRO 161 HD2 -0.39 0.01 -0.20 -0.04 3.68 3.06 2bs9H1 PRO 161 HD3 -0.22 0.11 -0.35 -0.04 3.65 3.15 2bs9H1 ASN 162 H -0.78 0.05 -0.41 -0.55 8.53 6.85 2bs9H1 ASN 162 HA -0.71 0.18 0.54 -0.75 4.76 4.02 2bs9H1 ASN 162 HB2 -1.03 0.03 0.14 -0.04 2.88 1.98 2bs9H1 ASN 162 HB3 -2.87 -0.01 0.03 -0.04 2.79 -0.09 2bs9H1 ASN 162 HD21 -0.26 0.14 -0.10 -0.04 7.03 6.77 2bs9H1 ASN 162 HD22 -0.41 -0.01 -0.10 -0.04 7.74 7.18 2bs9H1 LEU 163 H -0.03 0.41 -0.60 -0.55 8.37 7.61 2bs9H1 LEU 163 HA -0.04 0.14 0.89 -0.75 4.35 4.59 2bs9H1 LEU 163 HB2 -0.03 -0.02 -0.16 -0.04 1.64 1.39 2bs9H1 LEU 163 HB3 0.18 0.12 0.09 -0.04 1.64 1.99 2bs9H1 LEU 163 HG -0.04 -0.24 -0.09 -0.04 1.64 1.23 2bs9H1 LEU 163 HD13 -0.06 0.02 0.05 -0.04 0.93 0.90 2bs9H1 LEU 163 HD23 0.08 0.01 -0.04 -0.04 0.89 0.90 2bs9H1 VAL 164 H -0.01 0.20 0.11 -0.55 8.24 7.98 2bs9H1 VAL 164 HA 0.02 0.08 0.25 -0.75 4.13 3.72 2bs9H1 VAL 164 HB -0.05 -0.01 0.11 -0.04 2.12 2.14 2bs9H1 VAL 164 HG13 -0.06 -0.01 -0.10 -0.04 0.97 0.76 2bs9H1 VAL 164 HG23 -0.01 0.00 -0.03 -0.04 0.95 0.87 2bs9H1 ASN 165 H -0.13 0.04 -0.26 -0.55 8.53 7.64 2bs9H1 ASN 165 HA -0.28 0.06 0.29 -0.75 4.76 4.07 2bs9H1 ASN 165 HB2 -0.50 -0.00 -0.03 -0.04 2.88 2.30 2bs9H1 ASN 165 HB3 -0.89 -0.01 -0.07 -0.04 2.79 1.78 2bs9H1 ASN 165 HD21 -0.17 0.02 -0.00 -0.04 7.03 6.84 2bs9H1 ASN 165 HD22 -0.38 -0.01 -0.01 -0.04 7.74 7.30 2bs9H1 PHE 166 H 0.06 0.49 -0.31 -0.55 8.34 8.02 2bs9H1 PHE 166 HA -0.21 0.07 0.63 -0.75 4.62 4.36 2bs9H1 PHE 166 HB2 0.04 0.23 0.04 -0.04 3.15 3.41 2bs9H1 PHE 166 HB3 0.08 0.15 0.05 -0.04 3.06 3.30 2bs9H1 PHE 166 HD2 -0.32 0.02 -0.05 -0.04 7.28 6.88 2bs9H1 PHE 166 HE2 -0.22 -0.05 -0.08 -0.04 7.38 6.99 2bs9H1 PHE 166 HZ 0.11 -0.02 -0.08 -0.04 7.32 7.29 2bs9H1 TRP 167 H 0.24 0.32 -0.23 -0.55 7.97 7.75 2bs9H1 TRP 167 HA 0.26 0.24 0.71 -0.75 4.62 5.07 2bs9H1 TRP 167 HB2 0.51 0.13 -0.36 -0.04 3.23 3.46 2bs9H1 TRP 167 HB3 0.16 0.04 -0.01 -0.04 3.23 3.38 2bs9H1 TRP 167 HD1 0.16 0.07 -0.22 -0.04 7.22 7.19 2bs9H1 TRP 167 HE1 0.07 0.16 -0.02 -0.04 10.20 10.38 2bs9H1 TRP 167 HE3 -0.16 0.15 0.01 -0.04 7.59 7.56 2bs9H1 TRP 167 HZ2 -0.13 -0.07 -0.41 -0.04 7.44 6.79 2bs9H1 TRP 167 HZ3 -0.97 0.05 -0.31 -0.04 7.13 5.85 2bs9H1 TRP 167 HH2 -0.43 -0.02 -0.06 -0.04 7.19 6.64 2bs9H1 LYS 168 H -0.49 0.38 0.22 -0.55 8.42 7.98 2bs9H1 LYS 168 HA -0.18 0.01 0.34 -0.75 4.32 3.74 2bs9H1 LYS 168 HB2 -0.30 0.02 0.14 -0.04 1.87 1.69 2bs9H1 LYS 168 HB3 -0.62 -0.01 0.22 -0.04 1.79 1.35 2bs9H1 LYS 168 HG2 -0.24 0.01 -0.19 -0.04 1.46 1.00 2bs9H1 LYS 168 HG3 -0.17 -0.02 0.02 -0.04 1.46 1.25 2bs9H1 LYS 168 HD2 -0.21 -0.04 0.02 -0.04 1.69 1.42 2bs9H1 LYS 168 HD3 -0.24 0.02 0.00 -0.04 1.68 1.42 2bs9H1 LYS 168 HE2 -0.11 -0.05 -0.01 -0.04 2.99 2.78 2bs9H1 LYS 168 HE3 -0.12 0.04 -0.02 -0.04 2.99 2.86 2bs9H1 ASP 169 H -0.10 0.15 0.24 -0.55 8.40 8.13 2bs9H1 ASP 169 HA -0.05 0.01 0.32 -0.75 4.63 4.16 2bs9H1 ASP 169 HB2 -0.13 0.14 0.01 -0.04 2.71 2.68 2bs9H1 ASP 169 HB3 -0.05 -0.00 0.14 -0.04 2.70 2.75 2bs9H1 ALA 170 H 0.04 0.54 -0.25 -0.55 8.40 8.18 2bs9H1 ALA 170 HA 0.36 0.33 0.13 -0.75 4.34 4.41 2bs9H1 ALA 170 HB3 0.13 -0.05 -0.10 -0.04 1.41 1.35 2bs9H1 ASN 171 H 0.02 0.32 -0.35 -0.55 8.53 7.97 2bs9H1 ASN 171 HA 0.10 0.07 0.31 -0.75 4.76 4.48 2bs9H1 ASN 171 HB2 -0.13 0.15 0.07 -0.04 2.88 2.94 2bs9H1 ASN 171 HB3 -0.07 -0.02 0.14 -0.04 2.79 2.79 2bs9H1 ASN 171 HD21 -0.05 0.01 -0.01 -0.04 7.03 6.93 2bs9H1 ASN 171 HD22 -0.11 0.08 0.00 -0.04 7.74 7.67 2bs9H1 LYS 172 H 0.05 0.29 0.27 -0.55 8.42 8.49 2bs9H1 LYS 172 HA -0.68 0.08 0.32 -0.75 4.32 3.29 2bs9H1 LYS 172 HB2 -0.64 0.11 0.15 -0.04 1.87 1.45 2bs9H1 LYS 172 HB3 -0.45 -0.05 0.16 -0.04 1.79 1.41 2bs9H1 LYS 172 HG2 -0.94 0.01 -0.12 -0.04 1.46 0.37 2bs9H1 LYS 172 HG3 -2.01 -0.02 -0.01 -0.04 1.46 -0.62 2bs9H1 LYS 172 HD2 -1.17 -0.01 -0.01 -0.04 1.69 0.46 2bs9H1 LYS 172 HD3 -2.30 0.01 0.01 -0.04 1.68 -0.63 2bs9H1 LYS 172 HE2 -0.37 0.00 0.01 -0.04 2.99 2.60 2bs9H1 LYS 172 HE3 -0.31 0.02 -0.03 -0.04 2.99 2.63 2bs9H1 GLN 173 H -0.20 0.12 -0.06 -0.55 8.47 7.78 2bs9H1 GLN 173 HA -0.36 0.12 0.32 -0.75 4.36 3.69 2bs9H1 GLN 173 HB2 -0.07 -0.02 0.05 -0.04 2.15 2.07 2bs9H1 GLN 173 HB3 -0.05 0.06 0.01 -0.04 2.02 2.01 2bs9H1 GLN 173 HG2 -0.11 -0.04 0.04 -0.04 2.40 2.24 2bs9H1 GLN 173 HG3 -0.03 0.05 0.01 -0.04 2.39 2.38 2bs9H1 GLN 173 HE21 0.25 0.06 -0.01 -0.04 6.97 7.22 2bs9H1 GLN 173 HE22 0.08 0.00 0.02 -0.04 7.69 7.74 2bs9H1 GLU 174 H 0.02 0.07 -0.32 -0.55 8.60 7.83 2bs9H1 GLU 174 HA 0.06 0.07 0.54 -0.75 4.29 4.21 2bs9H1 GLU 174 HB2 0.03 -0.05 0.06 -0.04 2.09 2.10 2bs9H1 GLU 174 HB3 0.30 0.13 0.05 -0.04 1.99 2.43 2bs9H1 GLU 174 HG2 -0.11 0.02 0.00 -0.04 2.34 2.21 2bs9H1 GLU 174 HG3 0.39 -0.02 -0.04 -0.04 2.34 2.62 2bs9H1 TYR 175 H 0.37 0.55 -0.11 -0.55 8.29 8.54 2bs9H1 TYR 175 HA -0.33 0.01 0.36 -0.75 4.56 3.85 2bs9H1 TYR 175 HB2 -0.41 0.00 0.00 -0.04 3.06 2.61 2bs9H1 TYR 175 HB3 -0.04 0.09 0.07 -0.04 2.98 3.07 2bs9H1 TYR 175 HD2 -0.33 -0.01 -0.10 -0.04 7.15 6.67 2bs9H1 TYR 175 HE2 -0.00 0.01 -0.11 -0.04 6.85 6.71 2bs9H1 PHE 176 H -0.26 0.47 -0.17 -0.55 8.34 7.83 2bs9H1 PHE 176 HA -0.38 0.02 0.42 -0.75 4.62 3.94 2bs9H1 PHE 176 HB2 -0.68 0.11 0.12 -0.04 3.15 2.66 2bs9H1 PHE 176 HB3 -2.37 0.01 -0.02 -0.04 3.06 0.64 2bs9H1 PHE 176 HD2 -0.22 -0.04 -0.06 -0.04 7.28 6.93 2bs9H1 PHE 176 HE2 0.04 -0.02 -0.07 -0.04 7.38 7.28 2bs9H1 PHE 176 HZ -0.15 -0.07 -0.26 -0.04 7.32 6.80 2bs9H1 LYS 177 H -0.09 0.39 -0.22 -0.55 8.42 7.95 2bs9H1 LYS 177 HA 0.02 0.05 0.56 -0.75 4.32 4.19 2bs9H1 LYS 177 HB2 -0.08 0.01 0.11 -0.04 1.87 1.87 2bs9H1 LYS 177 HB3 -0.12 0.09 0.17 -0.04 1.79 1.89 2bs9H1 LYS 177 HG2 -0.74 -0.02 -0.27 -0.04 1.46 0.39 2bs9H1 LYS 177 HG3 -0.29 -0.01 0.03 -0.04 1.46 1.15 2bs9H1 LYS 177 HD2 -0.20 0.00 -0.00 -0.04 1.69 1.45 2bs9H1 LYS 177 HD3 -0.60 0.00 -0.03 -0.04 1.68 1.01 2bs9H1 LYS 177 HE2 -0.88 -0.06 -0.02 -0.04 2.99 1.99 2bs9H1 LYS 177 HE3 -0.29 0.02 -0.01 -0.04 2.99 2.67 2bs9H1 LEU 178 H -0.10 0.58 -0.05 -0.55 8.37 8.26 2bs9H1 LEU 178 HA 0.05 -0.02 0.56 -0.75 4.35 4.19 2bs9H1 LEU 178 HB2 -0.12 -0.01 0.10 -0.04 1.64 1.57 2bs9H1 LEU 178 HB3 -0.46 0.13 0.14 -0.04 1.64 1.42 2bs9H1 LEU 178 HG -0.15 -0.01 -0.17 -0.04 1.64 1.27 2bs9H1 LEU 178 HD13 -1.02 -0.02 0.01 -0.04 0.93 -0.13 2bs9H1 LEU 178 HD23 -0.93 -0.00 -0.07 -0.04 0.89 -0.15 2bs9H1 TYR 179 H -0.28 0.72 -0.07 -0.55 8.29 8.11 2bs9H1 TYR 179 HA -0.02 -0.02 0.41 -0.75 4.56 4.18 2bs9H1 TYR 179 HB2 -0.51 -0.02 0.07 -0.04 3.06 2.56 2bs9H1 TYR 179 HB3 -0.06 0.12 0.15 -0.04 2.98 3.15 2bs9H1 TYR 179 HD2 0.18 0.01 -0.13 -0.04 7.15 7.17 2bs9H1 TYR 179 HE2 0.07 0.08 -0.24 -0.04 6.85 6.72 2bs9H1 GLU 180 H 0.15 0.50 -0.16 -0.55 8.60 8.55 2bs9H1 GLU 180 HA 0.08 0.06 0.24 -0.75 4.29 3.92 2bs9H1 GLU 180 HB2 0.36 0.04 0.08 -0.04 2.09 2.53 2bs9H1 GLU 180 HB3 0.13 0.02 0.18 -0.04 1.99 2.29 2bs9H1 GLU 180 HG2 0.04 -0.04 -0.23 -0.04 2.34 2.06 2bs9H1 GLU 180 HG3 0.03 -0.00 -0.07 -0.04 2.34 2.26 2bs9H1 VAL 181 H 0.02 0.52 -0.11 -0.55 8.24 8.12 2bs9H1 VAL 181 HA 0.05 0.02 0.40 -0.75 4.13 3.84 2bs9H1 VAL 181 HB 0.17 0.12 0.17 -0.04 2.12 2.54 2bs9H1 VAL 181 HG13 0.39 -0.02 -0.12 -0.04 0.97 1.18 2bs9H1 VAL 181 HG23 0.01 -0.02 0.04 -0.04 0.95 0.94 2bs9H1 THR 182 H 0.07 0.50 -0.31 -0.55 8.28 7.99 2bs9H1 THR 182 HA 0.03 -0.04 0.38 -0.75 4.39 4.00 2bs9H1 THR 182 HB 0.02 0.08 0.18 -0.04 4.32 4.56 2bs9H1 THR 182 HG23 0.09 -0.03 -0.06 -0.04 1.22 1.17 2bs9H1 ALA 183 H -0.33 0.82 0.13 -0.55 8.40 8.47 2bs9H1 ALA 183 HA -0.14 -0.04 0.43 -0.75 4.34 3.84 2bs9H1 ALA 183 HB3 -0.44 0.02 0.08 -0.04 1.41 1.03 2bs9H1 ARG 184 H -0.07 0.64 -0.22 -0.55 8.46 8.26 2bs9H1 ARG 184 HA -0.04 0.06 0.43 -0.75 4.34 4.03 2bs9H1 ARG 184 HB2 -0.02 0.10 0.12 -0.04 1.90 2.06 2bs9H1 ARG 184 HB3 -0.02 -0.08 -0.01 -0.04 1.80 1.65 2bs9H1 ARG 184 HG2 -0.03 0.00 0.04 -0.04 1.67 1.65 2bs9H1 ARG 184 HG3 -0.02 0.07 0.05 -0.04 1.67 1.72 2bs9H1 ARG 184 HD2 -0.01 -0.07 -0.03 -0.04 3.22 3.07 2bs9H1 ARG 184 HD3 -0.02 -0.03 0.00 -0.04 3.22 3.13 2bs9H1 ALA 185 H -0.05 0.46 -0.19 -0.55 8.40 8.08 2bs9H1 ALA 185 HA -0.06 0.00 0.55 -0.75 4.34 4.09 2bs9H1 ALA 185 HB3 -0.11 0.01 0.16 -0.04 1.41 1.42 2bs9H1 VAL 186 H -0.10 0.66 -0.05 -0.55 8.24 8.21 2bs9H1 VAL 186 HA -0.14 -0.06 0.31 -0.75 4.13 3.49 2bs9H1 VAL 186 HB -0.05 0.15 0.11 -0.04 2.12 2.28 2bs9H1 VAL 186 HG13 -0.22 0.01 -0.24 -0.04 0.97 0.48 2bs9H1 VAL 186 HG23 0.01 -0.00 -0.06 -0.04 0.95 0.86 2bs9H1 LYS 187 H -0.05 0.58 -0.12 -0.55 8.42 8.27 2bs9H1 LYS 187 HA -0.03 0.16 0.09 -0.75 4.32 3.80 2bs9H1 LYS 187 HB2 -0.03 0.02 0.07 -0.04 1.87 1.89 2bs9H1 LYS 187 HB3 -0.02 -0.07 -0.02 -0.04 1.79 1.63 2bs9H1 LYS 187 HG2 -0.02 0.10 0.07 -0.04 1.46 1.57 2bs9H1 LYS 187 HG3 -0.01 -0.07 0.02 -0.04 1.46 1.36 2bs9H1 LYS 187 HD2 -0.00 -0.01 0.13 -0.04 1.69 1.76 2bs9H1 LYS 187 HD3 0.01 0.01 -0.03 -0.04 1.68 1.62 2bs9H1 LYS 187 HE2 0.04 -0.14 -0.02 -0.04 2.99 2.84 2bs9H1 LYS 187 HE3 0.02 -0.13 0.01 -0.04 2.99 2.85 2bs9H1 SER 188 H -0.05 0.38 -0.47 -0.55 8.46 7.78 2bs9H1 SER 188 HA -0.03 -0.01 0.39 -0.75 4.49 4.08 2bs9H1 SER 188 HB2 -0.03 -0.13 0.05 -0.04 3.95 3.80 2bs9H1 SER 188 HB3 -0.03 0.13 0.14 -0.04 3.93 4.13 2bs9H1 VAL 189 H -0.06 0.43 -0.18 -0.55 8.24 7.89 2bs9H1 VAL 189 HA -0.04 0.00 0.67 -0.75 4.13 4.01 2bs9H1 VAL 189 HB -0.07 0.11 0.10 -0.04 2.12 2.22 2bs9H1 VAL 189 HG13 -0.04 -0.04 -0.17 -0.04 0.97 0.67 2bs9H1 VAL 189 HG23 -0.07 0.02 0.05 -0.04 0.95 0.90 2bs9H1 ASP 190 H -0.04 0.45 -0.04 -0.55 8.40 8.23 2bs9H1 ASP 190 HA 0.01 0.15 0.32 -0.75 4.63 4.35 2bs9H1 ASP 190 HB2 0.00 0.06 -0.03 -0.04 2.71 2.71 2bs9H1 ASP 190 HB3 0.01 -0.04 0.02 -0.04 2.70 2.65 2bs9H1 PRO 191 HA -0.02 0.12 0.44 -0.51 4.44 4.47 2bs9H1 PRO 191 HB2 -0.13 -0.00 0.01 -0.04 2.28 2.12 2bs9H1 PRO 191 HB3 -0.06 0.05 0.10 -0.04 2.02 2.06 2bs9H1 PRO 191 HG2 -0.15 -0.03 0.05 -0.04 2.03 1.86 2bs9H1 PRO 191 HG3 -0.06 0.02 0.06 -0.04 2.03 2.01 2bs9H1 PRO 191 HD2 0.03 0.01 0.17 -0.04 3.68 3.86 2bs9H1 PRO 191 HD3 -0.01 0.23 0.08 -0.04 3.65 3.91 2bs9H1 HIS 192 H 0.12 0.03 -0.27 -0.55 8.41 7.75 2bs9H1 HIS 192 HA 0.03 0.10 0.44 -0.75 4.63 4.45 2bs9H1 HIS 192 HB2 0.02 -0.03 -0.06 -0.04 3.26 3.14 2bs9H1 HIS 192 HB3 0.03 0.05 0.03 -0.04 3.20 3.27 2bs9H1 HIS 192 HD2 -0.00 -0.02 -0.01 -0.04 6.97 6.90 2bs9H1 HIS 192 HE1 0.01 -0.02 -0.02 -0.04 7.75 7.67 2bs9H1 LEU 193 H 0.09 0.27 -0.44 -0.55 8.37 7.74 2bs9H1 LEU 193 HA 0.19 0.08 0.29 -0.75 4.35 4.15 2bs9H1 LEU 193 HB2 -0.01 0.08 -0.09 -0.04 1.64 1.58 2bs9H1 LEU 193 HB3 -0.01 -0.04 -0.12 -0.04 1.64 1.43 2bs9H1 LEU 193 HG 0.03 -0.03 -0.04 -0.04 1.64 1.57 2bs9H1 LEU 193 HD13 -0.14 0.01 -0.06 -0.04 0.93 0.70 2bs9H1 LEU 193 HD23 0.12 0.00 -0.21 -0.04 0.89 0.76 2bs9H1 GLN 194 H 0.35 0.23 0.11 -0.55 8.47 8.62 2bs9H1 GLN 194 HA 0.22 0.11 0.61 -0.75 4.36 4.55 2bs9H1 GLN 194 HB2 0.25 0.10 0.23 -0.04 2.15 2.69 2bs9H1 GLN 194 HB3 0.31 -0.09 -0.01 -0.04 2.02 2.20 2bs9H1 GLN 194 HG2 0.17 -0.03 -0.00 -0.04 2.40 2.50 2bs9H1 GLN 194 HG3 0.18 0.15 0.06 -0.04 2.39 2.73 2bs9H1 GLN 194 HE21 0.10 -0.09 0.05 -0.04 6.97 6.98 2bs9H1 GLN 194 HE22 0.13 0.28 0.14 -0.04 7.69 8.20 2bs9H1 VAL 195 H 0.18 0.25 0.18 -0.55 8.24 8.30 2bs9H1 VAL 195 HA 0.37 0.30 0.99 -0.75 4.13 5.04 2bs9H1 VAL 195 HB 0.16 -0.00 -0.15 -0.04 2.12 2.09 2bs9H1 VAL 195 HG13 0.05 0.05 -0.03 -0.04 0.97 1.00 2bs9H1 VAL 195 HG23 0.13 0.00 -0.02 -0.04 0.95 1.02 2bs9H1 GLY 196 H 0.07 0.57 0.38 -0.55 8.43 8.90 2bs9H1 GLY 196 HA2 -0.26 0.11 0.90 -0.51 4.01 4.24 2bs9H1 GLY 196 HA3 -2.15 0.02 0.20 -0.51 4.01 1.57 2bs9H1 GLY 197 H -0.20 0.59 0.36 -0.55 8.43 8.64 2bs9H1 GLY 197 HA2 0.00 0.03 0.42 -0.51 4.01 3.95 2bs9H1 GLY 197 HA3 -0.18 0.11 0.44 -0.51 4.01 3.87 2bs9H1 PRO 198 HA -0.26 0.16 0.36 -0.51 4.44 4.19 2bs9H1 PRO 198 HB2 -0.21 -0.03 0.04 -0.04 2.28 2.04 2bs9H1 PRO 198 HB3 -0.59 0.08 0.07 -0.04 2.02 1.53 2bs9H1 PRO 198 HG2 -0.12 -0.11 -0.02 -0.04 2.03 1.74 2bs9H1 PRO 198 HG3 -0.04 0.08 -0.04 -0.04 2.03 1.98 2bs9H1 PRO 198 HD2 -0.17 0.29 0.40 -0.04 3.68 4.15 2bs9H1 PRO 198 HD3 -0.36 0.18 0.37 -0.04 3.65 3.80 2bs9H1 ALA 199 H -0.18 0.27 -0.13 -0.55 8.40 7.82 2bs9H1 ALA 199 HA -0.31 0.01 -0.06 -0.75 4.34 3.22 2bs9H1 ALA 199 HB3 -0.11 0.05 -0.14 -0.04 1.41 1.16 2bs9H1 ILE 200 H -0.23 0.17 -0.16 -0.55 8.25 7.48 2bs9H1 ILE 200 HA -0.29 -0.08 0.28 -0.75 4.18 3.33 2bs9H1 ILE 200 HB -0.32 0.15 0.02 -0.04 1.89 1.71 2bs9H1 ILE 200 HG12 -0.12 0.04 0.07 -0.04 1.49 1.44 2bs9H1 ILE 200 HG13 -0.11 -0.01 -0.09 -0.04 1.21 0.96 2bs9H1 ILE 200 HG23 -0.39 -0.04 -0.11 -0.04 0.93 0.35 2bs9H1 ILE 200 HD13 0.04 -0.01 -0.11 -0.04 0.88 0.76 2bs9H1 CYS 201 H -0.15 0.02 0.10 -0.55 8.50 7.93 2bs9H1 CYS 201 HA 0.10 0.12 0.76 -0.75 4.58 4.80 2bs9H1 CYS 201 HB2 -0.02 -0.02 0.12 -0.04 2.97 3.01 2bs9H1 CYS 201 HB3 -0.03 -0.02 0.09 -0.04 2.97 2.97 2bs9H1 GLY 202 H 0.07 0.09 0.12 -0.55 8.43 8.17 2bs9H1 GLY 202 HA2 0.03 0.03 0.49 -0.51 4.01 4.05 2bs9H1 GLY 202 HA3 0.07 0.06 0.38 -0.51 4.01 4.01 2bs9H1 GLY 203 H 0.04 0.09 0.17 -0.55 8.43 8.18 2bs9H1 GLY 203 HA2 0.04 0.02 0.33 -0.51 4.01 3.88 2bs9H1 GLY 203 HA3 0.02 0.17 0.58 -0.51 4.01 4.28 2bs9H1 SER 204 H 0.03 -0.00 0.05 -0.55 8.46 7.99 2bs9H1 SER 204 HA 0.09 0.15 0.72 -0.75 4.49 4.69 2bs9H1 SER 204 HB2 -0.08 0.12 -0.52 -0.04 3.95 3.42 2bs9H1 SER 204 HB3 -0.17 -0.00 -0.01 -0.04 3.93 3.70 2bs9H1 ASP 205 H 0.08 0.17 0.12 -0.55 8.40 8.22 2bs9H1 ASP 205 HA 0.11 0.10 0.20 -0.75 4.63 4.29 2bs9H1 ASP 205 HB2 0.07 0.03 0.09 -0.04 2.71 2.86 2bs9H1 ASP 205 HB3 0.08 0.09 0.08 -0.04 2.70 2.91 2bs9H1 GLU 206 H 0.16 0.10 -0.34 -0.55 8.60 7.97 2bs9H1 GLU 206 HA 0.12 0.11 0.63 -0.75 4.29 4.40 2bs9H1 GLU 206 HB2 0.09 0.04 0.10 -0.04 2.09 2.28 2bs9H1 GLU 206 HB3 0.10 0.02 0.08 -0.04 1.99 2.15 2bs9H1 GLU 206 HG2 0.18 0.03 -0.22 -0.04 2.34 2.29 2bs9H1 GLU 206 HG3 0.10 0.04 -0.03 -0.04 2.34 2.41 2bs9H1 TRP 207 H 0.46 0.58 -0.06 -0.55 7.97 8.40 2bs9H1 TRP 207 HA 0.15 0.03 0.50 -0.75 4.62 4.54 2bs9H1 TRP 207 HB2 0.02 0.15 0.11 -0.04 3.23 3.48 2bs9H1 TRP 207 HB3 0.03 -0.01 -0.10 -0.04 3.23 3.11 2bs9H1 TRP 207 HD1 0.03 0.00 0.08 -0.04 7.22 7.29 2bs9H1 TRP 207 HE1 0.00 0.04 0.05 -0.04 10.20 10.25 2bs9H1 TRP 207 HE3 -0.08 0.01 -0.06 -0.04 7.59 7.42 2bs9H1 TRP 207 HZ2 0.00 0.24 -0.05 -0.04 7.44 7.60 2bs9H1 TRP 207 HZ3 -0.33 0.04 -0.14 -0.04 7.13 6.66 2bs9H1 TRP 207 HH2 0.02 0.08 -0.57 -0.04 7.19 6.69 2bs9H1 ILE 208 H 0.24 0.27 -0.21 -0.55 8.25 8.00 2bs9H1 ILE 208 HA 0.23 0.07 0.55 -0.75 4.18 4.29 2bs9H1 ILE 208 HB 0.13 0.14 0.18 -0.04 1.89 2.30 2bs9H1 ILE 208 HG12 0.06 0.08 0.05 -0.04 1.49 1.64 2bs9H1 ILE 208 HG13 0.11 -0.13 0.02 -0.04 1.21 1.17 2bs9H1 ILE 208 HG23 0.11 0.04 -0.13 -0.04 0.93 0.90 2bs9H1 ILE 208 HD13 0.05 -0.01 0.03 -0.04 0.88 0.91 2bs9H1 THR 209 H 0.15 0.23 -0.07 -0.55 8.28 8.05 2bs9H1 THR 209 HA 0.12 0.13 0.42 -0.75 4.39 4.30 2bs9H1 THR 209 HB 0.11 0.04 0.20 -0.04 4.32 4.63 2bs9H1 THR 209 HG23 0.09 0.01 -0.03 -0.04 1.22 1.25 2bs9H1 ASP 210 H 0.16 0.57 -0.12 -0.55 8.40 8.46 2bs9H1 ASP 210 HA 0.13 0.02 0.28 -0.75 4.63 4.30 2bs9H1 ASP 210 HB2 0.14 0.03 0.13 -0.04 2.71 2.96 2bs9H1 ASP 210 HB3 0.21 -0.05 0.02 -0.04 2.70 2.83 2bs9H1 PHE 211 H 0.32 0.49 -0.27 -0.55 8.34 8.32 2bs9H1 PHE 211 HA -0.81 -0.03 0.46 -0.75 4.62 3.49 2bs9H1 PHE 211 HB2 0.27 -0.03 0.14 -0.04 3.15 3.49 2bs9H1 PHE 211 HB3 0.06 0.14 0.23 -0.04 3.06 3.44 2bs9H1 PHE 211 HD2 -0.11 0.01 -0.04 -0.04 7.28 7.10 2bs9H1 PHE 211 HE2 -0.69 0.06 -0.07 -0.04 7.38 6.64 2bs9H1 PHE 211 HZ -1.09 0.03 -0.10 -0.04 7.32 6.11 2bs9H1 LEU 212 H 0.10 0.53 -0.08 -0.55 8.37 8.37 2bs9H1 LEU 212 HA -0.33 0.07 0.50 -0.75 4.35 3.83 2bs9H1 LEU 212 HB2 0.09 0.10 0.15 -0.04 1.64 1.93 2bs9H1 LEU 212 HB3 0.16 -0.06 0.07 -0.04 1.64 1.77 2bs9H1 LEU 212 HG 0.16 0.16 0.08 -0.04 1.64 2.01 2bs9H1 LEU 212 HD13 0.10 -0.01 -0.04 -0.04 0.93 0.94 2bs9H1 LEU 212 HD23 -0.18 -0.01 -0.06 -0.04 0.89 0.60 2bs9H1 HIS 213 H 0.09 0.48 -0.13 -0.55 8.41 8.30 2bs9H1 HIS 213 HA -0.02 0.09 0.65 -0.75 4.63 4.60 2bs9H1 HIS 213 HB2 0.01 0.11 0.13 -0.04 3.26 3.47 2bs9H1 HIS 213 HB3 0.01 -0.01 0.02 -0.04 3.20 3.18 2bs9H1 HIS 213 HD2 -0.01 0.04 0.03 -0.04 6.97 6.99 2bs9H1 HIS 213 HE1 -0.04 0.00 0.02 -0.04 7.75 7.69 2bs9H1 PHE 214 H -0.00 0.58 -0.07 -0.55 8.34 8.29 2bs9H1 PHE 214 HA -0.11 -0.03 0.42 -0.75 4.62 4.15 2bs9H1 PHE 214 HB2 -0.57 -0.01 0.14 -0.04 3.15 2.67 2bs9H1 PHE 214 HB3 -0.86 0.17 0.18 -0.04 3.06 2.52 2bs9H1 PHE 214 HD2 -0.23 0.03 -0.08 -0.04 7.28 6.96 2bs9H1 PHE 214 HE2 0.03 0.01 -0.06 -0.04 7.38 7.32 2bs9H1 PHE 214 HZ 0.02 -0.02 -0.15 -0.04 7.32 7.13 2bs9H1 CYS 215 H -0.29 0.47 -0.26 -0.55 8.50 7.88 2bs9H1 CYS 215 HA -0.30 -0.05 0.40 -0.75 4.58 3.87 2bs9H1 CYS 215 HB2 -0.43 0.04 0.13 -0.04 2.97 2.67 2bs9H1 CYS 215 HB3 -0.31 0.15 -0.02 -0.04 2.97 2.75 2bs9H1 ALA 216 H -0.06 0.42 -0.21 -0.55 8.40 7.99 2bs9H1 ALA 216 HA -0.07 0.07 0.52 -0.75 4.34 4.11 2bs9H1 ALA 216 HB3 -0.37 0.00 0.16 -0.04 1.41 1.16 2bs9H1 GLU 217 H -0.15 0.73 0.09 -0.55 8.60 8.72 2bs9H1 GLU 217 HA -0.07 -0.02 0.33 -0.75 4.29 3.78 2bs9H1 GLU 217 HB2 -0.05 0.12 0.16 -0.04 2.09 2.28 2bs9H1 GLU 217 HB3 -0.07 -0.04 -0.05 -0.04 1.99 1.79 2bs9H1 GLU 217 HG2 0.05 -0.03 0.05 -0.04 2.34 2.37 2bs9H1 GLU 217 HG3 0.27 0.01 0.05 -0.04 2.34 2.62 2bs9H1 ARG 218 H -0.32 0.46 -0.28 -0.55 8.46 7.76 2bs9H1 ARG 218 HA -0.17 0.11 0.64 -0.75 4.34 4.16 2bs9H1 ARG 218 HB2 -0.80 0.20 0.07 -0.04 1.90 1.32 2bs9H1 ARG 218 HB3 -0.35 -0.04 0.06 -0.04 1.80 1.43 2bs9H1 ARG 218 HG2 -0.17 -0.00 -0.03 -0.04 1.67 1.43 2bs9H1 ARG 218 HG3 -0.26 -0.06 -0.17 -0.04 1.67 1.14 2bs9H1 ARG 218 HD2 -0.06 -0.06 -0.04 -0.04 3.22 3.02 2bs9H1 ARG 218 HD3 -0.68 0.00 -0.02 -0.04 3.22 2.48 2bs9H1 ARG 219 H -0.14 0.33 -0.45 -0.55 8.46 7.65 2bs9H1 ARG 219 HA -0.04 0.11 0.35 -0.75 4.34 4.01 2bs9H1 ARG 219 HB2 -0.06 0.05 -0.03 -0.04 1.90 1.82 2bs9H1 ARG 219 HB3 -0.04 -0.07 0.15 -0.04 1.80 1.81 2bs9H1 ARG 219 HG2 -0.07 0.18 0.03 -0.04 1.67 1.78 2bs9H1 ARG 219 HG3 -0.07 0.00 -0.20 -0.04 1.67 1.36 2bs9H1 ARG 219 HD2 -0.05 -0.03 0.00 -0.04 3.22 3.11 2bs9H1 ARG 219 HD3 -0.04 -0.07 -0.02 -0.04 3.22 3.05 2bs9H1 VAL 220 H -0.12 0.33 0.02 -0.55 8.24 7.92 2bs9H1 VAL 220 HA -0.03 0.15 0.63 -0.75 4.13 4.12 2bs9H1 VAL 220 HB -0.05 -0.10 -0.02 -0.04 2.12 1.92 2bs9H1 VAL 220 HG13 0.16 0.03 -0.12 -0.04 0.97 1.00 2bs9H1 VAL 220 HG23 -0.17 -0.02 -0.15 -0.04 0.95 0.57 2bs9H1 PRO 221 HA 0.01 0.05 0.43 -0.51 4.44 4.42 2bs9H1 PRO 221 HB2 0.01 -0.03 0.04 -0.04 2.28 2.27 2bs9H1 PRO 221 HB3 0.02 0.08 0.06 -0.04 2.02 2.13 2bs9H1 PRO 221 HG2 -0.01 0.02 0.02 -0.04 2.03 2.01 2bs9H1 PRO 221 HG3 -0.00 0.08 0.05 -0.04 2.03 2.11 2bs9H1 PRO 221 HD2 -0.01 0.00 0.10 -0.04 3.68 3.73 2bs9H1 PRO 221 HD3 -0.01 0.22 0.27 -0.04 3.65 4.09 2bs9H1 VAL 222 H -0.13 0.28 0.24 -0.55 8.24 8.08 2bs9H1 VAL 222 HA 0.06 0.14 0.66 -0.75 4.13 4.24 2bs9H1 VAL 222 HB -0.46 0.01 -0.14 -0.04 2.12 1.49 2bs9H1 VAL 222 HG13 -0.22 -0.01 0.07 -0.04 0.97 0.77 2bs9H1 VAL 222 HG23 -0.87 0.02 -0.05 -0.04 0.95 0.00 2bs9H1 ASP 223 H -0.06 0.59 0.42 -0.55 8.40 8.81 2bs9H1 ASP 223 HA 0.07 0.19 0.97 -0.75 4.63 5.12 2bs9H1 ASP 223 HB2 0.21 -0.07 0.07 -0.04 2.71 2.88 2bs9H1 ASP 223 HB3 0.19 0.02 0.11 -0.04 2.70 2.98 2bs9H1 PHE 224 H -0.27 0.14 0.27 -0.55 8.34 7.92 2bs9H1 PHE 224 HA -0.04 0.21 0.39 -0.75 4.62 4.42 2bs9H1 PHE 224 HB2 -0.20 0.01 -0.05 -0.04 3.15 2.86 2bs9H1 PHE 224 HB3 -0.05 0.15 -0.12 -0.04 3.06 3.00 2bs9H1 PHE 224 HD2 0.10 0.06 -0.57 -0.04 7.28 6.83 2bs9H1 PHE 224 HE2 0.22 -0.02 -0.38 -0.04 7.38 7.16 2bs9H1 PHE 224 HZ 0.36 -0.00 -0.59 -0.04 7.32 7.05 2bs9H1 VAL 225 H 0.13 0.70 0.25 -0.55 8.24 8.78 2bs9H1 VAL 225 HA 0.05 0.39 1.12 -0.75 4.13 4.93 2bs9H1 VAL 225 HB 0.04 0.07 0.14 -0.04 2.12 2.32 2bs9H1 VAL 225 HG13 0.04 -0.02 -0.00 -0.04 0.97 0.94 2bs9H1 VAL 225 HG23 0.06 0.00 -0.09 -0.04 0.95 0.88 2bs9H1 SER 226 H 0.02 0.43 0.03 -0.55 8.46 8.39 2bs9H1 SER 226 HA 0.06 0.49 1.04 -0.75 4.49 5.33 2bs9H1 SER 226 HB2 -0.02 -0.04 0.03 -0.04 3.95 3.88 2bs9H1 SER 226 HB3 0.43 0.06 -0.17 -0.04 3.93 4.21 2bs9H1 ARG 227 H -0.15 0.39 0.32 -0.55 8.46 8.47 2bs9H1 ARG 227 HA -0.21 0.10 0.68 -0.75 4.34 4.15 2bs9H1 ARG 227 HB2 -0.07 0.01 -0.62 -0.04 1.90 1.19 2bs9H1 ARG 227 HB3 -0.09 0.01 -0.24 -0.04 1.80 1.44 2bs9H1 ARG 227 HG2 -0.07 -0.02 0.02 -0.04 1.67 1.56 2bs9H1 ARG 227 HG3 -0.02 -0.03 -0.12 -0.04 1.67 1.45 2bs9H1 ARG 227 HD2 -0.01 0.01 -0.35 -0.04 3.22 2.83 2bs9H1 ARG 227 HD3 -0.01 0.07 -0.15 -0.04 3.22 3.08 2bs9H1 HIS 228 H -0.06 0.58 0.20 -0.55 8.41 8.58 2bs9H1 HIS 228 HA -0.13 0.17 0.80 -0.75 4.63 4.72 2bs9H1 HIS 228 HB2 -0.05 -0.04 0.20 -0.04 3.26 3.33 2bs9H1 HIS 228 HB3 0.00 -0.01 -0.09 -0.04 3.20 3.06 2bs9H1 HIS 228 HD2 -0.26 -0.04 -0.13 -0.04 6.97 6.50 2bs9H1 HIS 228 HE1 -0.27 -0.06 -0.08 -0.04 7.75 7.29 2bs9H1 ALA 229 H -0.04 0.68 0.31 -0.55 8.40 8.81 2bs9H1 ALA 229 HA 0.13 0.06 0.98 -0.75 4.34 4.77 2bs9H1 ALA 229 HB3 0.25 0.01 -0.00 -0.04 1.41 1.62 2bs9H1 TYR 230 H 0.28 0.20 0.20 -0.55 8.29 8.42 2bs9H1 TYR 230 HA 0.17 0.39 0.73 -0.75 4.56 5.10 2bs9H1 TYR 230 HB2 0.26 -0.05 -0.02 -0.04 3.06 3.21 2bs9H1 TYR 230 HB3 0.18 0.03 0.06 -0.04 2.98 3.21 2bs9H1 TYR 230 HD2 0.09 -0.00 -0.52 -0.04 7.15 6.68 2bs9H1 TYR 230 HE2 -0.19 0.06 -0.21 -0.04 6.85 6.47 2bs9H1 THR 231 H 0.22 0.59 0.32 -0.55 8.28 8.86 2bs9H1 THR 231 HA 0.16 0.17 0.85 -0.75 4.39 4.81 2bs9H1 THR 231 HB 0.17 -0.06 0.20 -0.04 4.32 4.58 2bs9H1 THR 231 HG23 0.19 -0.01 -0.21 -0.04 1.22 1.15 2bs9H1 SER 232 H 0.11 0.11 0.11 -0.55 8.46 8.24 2bs9H1 SER 232 HA -0.02 0.27 0.86 -0.75 4.49 4.85 2bs9H1 SER 232 HB2 -0.25 0.12 -0.00 -0.04 3.95 3.77 2bs9H1 SER 232 HB3 -0.17 -0.06 -0.09 -0.04 3.93 3.57 2bs9H1 LYS 233 H 0.02 0.53 0.21 -0.55 8.42 8.63 2bs9H1 LYS 233 HA 0.10 0.06 0.54 -0.75 4.32 4.27 2bs9H1 LYS 233 HB2 0.07 -0.06 0.07 -0.04 1.87 1.91 2bs9H1 LYS 233 HB3 0.07 -0.01 0.10 -0.04 1.79 1.91 2bs9H1 LYS 233 HG2 0.07 -0.00 -0.01 -0.04 1.46 1.48 2bs9H1 LYS 233 HG3 0.07 0.02 -0.10 -0.04 1.46 1.40 2bs9H1 LYS 233 HD2 0.07 -0.06 -0.05 -0.04 1.69 1.61 2bs9H1 LYS 233 HD3 0.06 0.01 -0.01 -0.04 1.68 1.70 2bs9H1 LYS 233 HE2 0.05 0.01 -0.11 -0.04 2.99 2.90 2bs9H1 LYS 233 HE3 0.04 0.00 -0.04 -0.04 2.99 2.96 2bs9H1 ALA 234 H 0.09 0.07 0.10 -0.55 8.40 8.11 2bs9H1 ALA 234 HA 0.14 0.07 0.38 -0.75 4.34 4.18 2bs9H1 ALA 234 HB3 0.06 0.01 0.07 -0.04 1.41 1.51 2bs9H1 PRO 235 HA -0.23 0.19 0.58 -0.51 4.44 4.47 2bs9H1 PRO 235 HB2 -0.30 -0.00 0.00 -0.04 2.28 1.94 2bs9H1 PRO 235 HB3 -0.28 0.04 0.07 -0.04 2.02 1.81 2bs9H1 PRO 235 HG2 -0.30 0.03 0.05 -0.04 2.03 1.76 2bs9H1 PRO 235 HG3 0.07 -0.00 0.01 -0.04 2.03 2.07 2bs9H1 PRO 235 HD2 0.02 0.07 0.17 -0.04 3.68 3.91 2bs9H1 PRO 235 HD3 0.13 0.12 0.15 -0.04 3.65 4.01 2bs9H1 HIS 236 H -0.78 0.26 0.34 -0.55 8.41 7.69 2bs9H1 HIS 236 HA -0.00 0.15 0.74 -0.75 4.63 4.77 2bs9H1 HIS 236 HB2 0.01 -0.01 0.10 -0.04 3.26 3.32 2bs9H1 HIS 236 HB3 0.01 0.02 0.08 -0.04 3.20 3.27 2bs9H1 HIS 236 HD2 0.01 -0.09 0.05 -0.04 6.97 6.89 2bs9H1 HIS 236 HE1 -0.01 -0.03 -0.15 -0.04 7.75 7.51 2bs9H1 LYS 237 H -0.28 0.24 0.15 -0.55 8.42 7.98 2bs9H1 LYS 237 HA 0.06 0.14 0.33 -0.75 4.32 4.10 2bs9H1 LYS 237 HB2 0.20 0.11 0.03 -0.04 1.87 2.17 2bs9H1 LYS 237 HB3 0.28 -0.10 0.01 -0.04 1.79 1.93 2bs9H1 LYS 237 HG2 0.28 -0.09 -0.35 -0.04 1.46 1.27 2bs9H1 LYS 237 HG3 0.13 0.06 0.04 -0.04 1.46 1.65 2bs9H1 LYS 237 HD2 0.10 0.03 -0.01 -0.04 1.69 1.77 2bs9H1 LYS 237 HD3 0.10 -0.05 -0.07 -0.04 1.68 1.62 2bs9H1 LYS 237 HE2 0.21 -0.04 -0.13 -0.04 2.99 2.99 2bs9H1 LYS 237 HE3 0.11 0.04 -0.03 -0.04 2.99 3.08 2bs9H1 LYS 238 H 0.02 0.26 0.13 -0.55 8.42 8.28 2bs9H1 LYS 238 HA 0.01 0.24 0.93 -0.75 4.32 4.74 2bs9H1 LYS 238 HB2 -0.04 -0.06 0.07 -0.04 1.87 1.80 2bs9H1 LYS 238 HB3 -0.00 0.22 0.09 -0.04 1.79 2.06 2bs9H1 LYS 238 HG2 -0.79 0.03 0.07 -0.04 1.46 0.73 2bs9H1 LYS 238 HG3 -0.32 -0.11 -0.33 -0.04 1.46 0.66 2bs9H1 LYS 238 HD2 -0.20 -0.01 -0.07 -0.04 1.69 1.37 2bs9H1 LYS 238 HD3 -0.12 0.02 -0.04 -0.04 1.68 1.51 2bs9H1 LYS 238 HE2 -1.42 -0.01 -0.02 -0.04 2.99 1.50 2bs9H1 LYS 238 HE3 -0.34 -0.01 -0.03 -0.04 2.99 2.57 2bs9H1 THR 239 H 0.07 0.24 0.21 -0.55 8.28 8.25 2bs9H1 THR 239 HA 0.09 0.26 0.70 -0.75 4.39 4.68 2bs9H1 THR 239 HB -0.08 -0.05 0.24 -0.04 4.32 4.39 2bs9H1 THR 239 HG23 0.19 0.03 -0.05 -0.04 1.22 1.35 2bs9H1 PHE 240 H 0.14 0.17 0.14 -0.55 8.34 8.24 2bs9H1 PHE 240 HA 0.03 0.12 0.43 -0.75 4.62 4.45 2bs9H1 PHE 240 HB2 0.01 0.05 0.12 -0.04 3.15 3.29 2bs9H1 PHE 240 HB3 0.01 -0.00 0.13 -0.04 3.06 3.16 2bs9H1 PHE 240 HD2 -0.01 0.01 -0.04 -0.04 7.28 7.19 2bs9H1 PHE 240 HE2 -0.02 0.03 -0.01 -0.04 7.38 7.34 2bs9H1 PHE 240 HZ -0.03 0.04 -0.01 -0.04 7.32 7.28 2bs9H1 GLU 241 H -0.66 -0.13 -0.38 -0.55 8.60 6.89 2bs9H1 GLU 241 HA -0.19 0.26 0.84 -0.75 4.29 4.46 2bs9H1 GLU 241 HB2 -0.40 0.03 0.11 -0.04 2.09 1.79 2bs9H1 GLU 241 HB3 -0.72 0.01 -0.14 -0.04 1.99 1.10 2bs9H1 GLU 241 HG2 -1.31 -0.14 -0.03 -0.04 2.34 0.82 2bs9H1 GLU 241 HG3 -1.60 0.04 -0.22 -0.04 2.34 0.52 2bs9H1 TYR 242 H -0.11 0.09 -0.04 -0.55 8.29 7.69 2bs9H1 TYR 242 HA -0.17 0.50 1.02 -0.75 4.56 5.16 2bs9H1 TYR 242 HB2 -0.28 -0.20 0.00 -0.04 3.06 2.54 2bs9H1 TYR 242 HB3 -0.68 0.03 -0.08 -0.04 2.98 2.21 2bs9H1 TYR 242 HD2 -0.09 0.15 -0.03 -0.04 7.15 7.13 2bs9H1 TYR 242 HE2 0.08 -0.00 -0.09 -0.04 6.85 6.79 2bs9H1 TYR 243 H 0.03 0.51 0.10 -0.55 8.29 8.38 2bs9H1 TYR 243 HA -0.10 0.23 0.73 -0.75 4.56 4.67 2bs9H1 TYR 243 HB2 -0.11 -0.10 0.03 -0.04 3.06 2.84 2bs9H1 TYR 243 HB3 -0.11 0.01 -0.03 -0.04 2.98 2.80 2bs9H1 TYR 243 HD2 -0.00 0.04 -0.25 -0.04 7.15 6.89 2bs9H1 TYR 243 HE2 0.04 0.02 -0.06 -0.04 6.85 6.82 2bs9H1 TYR 244 H -0.03 0.64 0.21 -0.55 8.29 8.56 2bs9H1 TYR 244 HA -0.11 0.10 0.94 -0.75 4.56 4.73 2bs9H1 TYR 244 HB2 -0.11 -0.01 0.13 -0.04 3.06 3.02 2bs9H1 TYR 244 HB3 0.03 0.01 -0.03 -0.04 2.98 2.95 2bs9H1 TYR 244 HD2 -0.01 -0.01 -0.07 -0.04 7.15 7.02 2bs9H1 TYR 244 HE2 -0.01 -0.00 -0.09 -0.04 6.85 6.71 2bs9H1 GLN 245 H 0.01 0.22 0.14 -0.55 8.47 8.29 2bs9H1 GLN 245 HA -0.20 0.11 0.88 -0.75 4.36 4.39 2bs9H1 GLN 245 HB2 -0.14 -0.12 -0.04 -0.04 2.15 1.81 2bs9H1 GLN 245 HB3 -0.11 0.20 -0.08 -0.04 2.02 1.99 2bs9H1 GLN 245 HG2 -0.12 0.20 -0.30 -0.04 2.40 2.15 2bs9H1 GLN 245 HG3 -0.12 -0.12 -0.67 -0.04 2.39 1.44 2bs9H1 GLN 245 HE21 -1.22 -0.17 -0.10 -0.04 6.97 5.44 2bs9H1 GLN 245 HE22 -0.26 0.24 -0.13 -0.04 7.69 7.50 2bs9H1 GLU 246 H 0.18 0.17 0.11 -0.55 8.60 8.52 2bs9H1 GLU 246 HA 0.08 0.08 0.61 -0.75 4.29 4.30 2bs9H1 GLU 246 HB2 0.13 0.00 0.11 -0.04 2.09 2.30 2bs9H1 GLU 246 HB3 0.10 -0.03 0.09 -0.04 1.99 2.10 2bs9H1 GLU 246 HG2 0.05 0.08 -0.12 -0.04 2.34 2.31 2bs9H1 GLU 246 HG3 0.04 0.00 0.09 -0.04 2.34 2.43 2bs9H1 LEU 247 H 0.04 0.17 0.18 -0.55 8.37 8.22 2bs9H1 LEU 247 HA 0.03 0.26 0.99 -0.75 4.35 4.88 2bs9H1 LEU 247 HB2 0.06 -0.05 0.03 -0.04 1.64 1.64 2bs9H1 LEU 247 HB3 0.05 0.18 -0.03 -0.04 1.64 1.80 2bs9H1 LEU 247 HG -0.06 0.02 -0.14 -0.04 1.64 1.42 2bs9H1 LEU 247 HD13 -0.25 -0.02 -0.07 -0.04 0.93 0.55 2bs9H1 LEU 247 HD23 -0.12 0.00 -0.28 -0.04 0.89 0.46 2bs9H1 GLU 248 H 0.10 0.63 0.28 -0.55 8.60 9.06 2bs9H1 GLU 248 HA 0.08 0.09 0.76 -0.75 4.29 4.47 2bs9H1 GLU 248 HB2 0.12 -0.03 0.12 -0.04 2.09 2.25 2bs9H1 GLU 248 HB3 0.08 -0.02 0.12 -0.04 1.99 2.13 2bs9H1 GLU 248 HG2 0.08 0.08 0.03 -0.04 2.34 2.49 2bs9H1 GLU 248 HG3 0.08 -0.03 0.02 -0.04 2.34 2.37 2bs9H1 PRO 249 HA 0.07 0.16 0.48 -0.51 4.44 4.64 2bs9H1 PRO 249 HB2 -0.02 -0.11 0.06 -0.04 2.28 2.17 2bs9H1 PRO 249 HB3 0.01 0.08 0.13 -0.04 2.02 2.20 2bs9H1 PRO 249 HG2 0.02 -0.02 0.07 -0.04 2.03 2.06 2bs9H1 PRO 249 HG3 0.03 0.09 0.09 -0.04 2.03 2.20 2bs9H1 PRO 249 HD2 0.05 0.06 0.23 -0.04 3.68 3.99 2bs9H1 PRO 249 HD3 0.06 0.21 0.20 -0.04 3.65 4.07 2bs9H1 PRO 250 HA -0.22 0.07 0.40 -0.51 4.44 4.17 2bs9H1 PRO 250 HB2 -0.26 0.06 -0.05 -0.04 2.28 1.99 2bs9H1 PRO 250 HB3 -0.67 0.13 0.11 -0.04 2.02 1.54 2bs9H1 PRO 250 HG2 -0.22 0.08 0.11 -0.04 2.03 1.96 2bs9H1 PRO 250 HG3 -0.63 0.11 0.14 -0.04 2.03 1.61 2bs9H1 PRO 250 HD2 -0.17 0.09 0.23 -0.04 3.68 3.78 2bs9H1 PRO 250 HD3 -0.57 0.16 0.19 -0.04 3.65 3.39 2bs9H1 GLU 251 H -0.09 0.14 -0.25 -0.55 8.60 7.86 2bs9H1 GLU 251 HA -0.08 0.09 0.31 -0.75 4.29 3.86 2bs9H1 GLU 251 HB2 -0.03 -0.02 0.03 -0.04 2.09 2.03 2bs9H1 GLU 251 HB3 -0.03 0.04 -0.12 -0.04 1.99 1.84 2bs9H1 GLU 251 HG2 -0.02 0.02 0.01 -0.04 2.34 2.30 2bs9H1 GLU 251 HG3 -0.01 0.03 0.00 -0.04 2.34 2.32 2bs9H1 ASP 252 H -0.01 0.37 -0.44 -0.55 8.40 7.78 2bs9H1 ASP 252 HA -0.01 0.04 0.39 -0.75 4.63 4.30 2bs9H1 ASP 252 HB2 0.04 -0.03 0.06 -0.04 2.71 2.74 2bs9H1 ASP 252 HB3 0.07 0.13 0.03 -0.04 2.70 2.88 2bs9H1 MET 253 H -0.00 0.27 -0.12 -0.55 8.47 8.07 2bs9H1 MET 253 HA -0.00 0.02 0.39 -0.75 4.52 4.18 2bs9H1 MET 253 HB2 0.08 -0.01 -0.03 -0.04 2.15 2.15 2bs9H1 MET 253 HB3 -0.10 0.13 0.08 -0.04 2.03 2.10 2bs9H1 MET 253 HG2 -0.74 0.02 -0.32 -0.04 2.63 1.54 2bs9H1 MET 253 HG3 -0.02 -0.06 -0.07 -0.04 2.56 2.37 2bs9H1 MET 253 HE3 0.25 -0.03 -0.18 -0.04 2.10 2.10 2bs9H1 LEU 254 H -0.22 0.43 -0.20 -0.55 8.37 7.82 2bs9H1 LEU 254 HA -0.63 0.04 0.33 -0.75 4.35 3.33 2bs9H1 LEU 254 HB2 -0.15 0.06 0.06 -0.04 1.64 1.57 2bs9H1 LEU 254 HB3 -0.14 0.02 -0.05 -0.04 1.64 1.43 2bs9H1 LEU 254 HG -0.25 0.01 -0.09 -0.04 1.64 1.27 2bs9H1 LEU 254 HD13 -0.02 0.01 -0.12 -0.04 0.93 0.75 2bs9H1 LEU 254 HD23 -0.25 0.01 -0.12 -0.04 0.89 0.49 2bs9H1 GLU 255 H -0.13 0.44 -0.36 -0.55 8.60 8.00 2bs9H1 GLU 255 HA -0.17 0.03 0.43 -0.75 4.29 3.82 2bs9H1 GLU 255 HB2 -0.07 0.16 0.13 -0.04 2.09 2.27 2bs9H1 GLU 255 HB3 -0.04 0.05 0.06 -0.04 1.99 2.02 2bs9H1 GLU 255 HG2 -0.03 -0.03 -0.01 -0.04 2.34 2.22 2bs9H1 GLU 255 HG3 -0.04 -0.05 -0.00 -0.04 2.34 2.20 2bs9H1 GLN 256 H -0.03 0.49 -0.11 -0.55 8.47 8.27 2bs9H1 GLN 256 HA 0.04 -0.03 0.55 -0.75 4.36 4.16 2bs9H1 GLN 256 HB2 0.16 0.18 0.15 -0.04 2.15 2.60 2bs9H1 GLN 256 HB3 0.12 -0.08 0.04 -0.04 2.02 2.05 2bs9H1 GLN 256 HG2 0.06 -0.11 0.06 -0.04 2.40 2.37 2bs9H1 GLN 256 HG3 0.04 0.28 0.07 -0.04 2.39 2.75 2bs9H1 GLN 256 HE21 0.14 0.31 0.05 -0.04 6.97 7.43 2bs9H1 GLN 256 HE22 0.09 -0.04 -0.21 -0.04 7.69 7.48 2bs9H1 PHE 257 H 0.16 0.43 -0.23 -0.55 8.34 8.16 2bs9H1 PHE 257 HA -0.05 -0.00 0.25 -0.75 4.62 4.07 2bs9H1 PHE 257 HB2 -0.16 0.16 0.15 -0.04 3.15 3.26 2bs9H1 PHE 257 HB3 0.00 0.04 -0.12 -0.04 3.06 2.94 2bs9H1 PHE 257 HD2 -0.11 0.00 -0.04 -0.04 7.28 7.09 2bs9H1 PHE 257 HE2 -0.55 -0.04 -0.09 -0.04 7.38 6.66 2bs9H1 PHE 257 HZ -0.45 -0.02 -0.10 -0.04 7.32 6.71 2bs9H1 LYS 258 H -0.22 0.50 -0.06 -0.55 8.42 8.09 2bs9H1 LYS 258 HA -0.12 0.10 0.43 -0.75 4.32 3.97 2bs9H1 LYS 258 HB2 -0.94 0.06 0.10 -0.04 1.87 1.04 2bs9H1 LYS 258 HB3 -0.28 0.02 0.12 -0.04 1.79 1.61 2bs9H1 LYS 258 HG2 -0.10 -0.03 -0.13 -0.04 1.46 1.16 2bs9H1 LYS 258 HG3 -0.12 0.03 0.03 -0.04 1.46 1.37 2bs9H1 LYS 258 HD2 -0.32 0.01 -0.03 -0.04 1.69 1.31 2bs9H1 LYS 258 HD3 -0.14 -0.04 -0.03 -0.04 1.68 1.42 2bs9H1 LYS 258 HE2 -0.01 -0.03 -0.03 -0.04 2.99 2.88 2bs9H1 LYS 258 HE3 0.04 0.04 -0.02 -0.04 2.99 3.01 2bs9H1 THR 259 H -0.04 0.52 -0.25 -0.55 8.28 7.96 2bs9H1 THR 259 HA -0.00 0.01 0.42 -0.75 4.39 4.06 2bs9H1 THR 259 HB 0.02 0.15 0.24 -0.04 4.32 4.68 2bs9H1 THR 259 HG23 0.03 -0.05 -0.15 -0.04 1.22 1.01 2bs9H1 VAL 260 H 0.03 0.61 -0.07 -0.55 8.24 8.27 2bs9H1 VAL 260 HA 0.04 -0.07 0.40 -0.75 4.13 3.75 2bs9H1 VAL 260 HB 0.01 0.17 0.10 -0.04 2.12 2.35 2bs9H1 VAL 260 HG13 0.00 -0.01 -0.20 -0.04 0.97 0.73 2bs9H1 VAL 260 HG23 0.03 -0.02 0.01 -0.04 0.95 0.93 2bs9H1 ARG 261 H 0.02 0.62 -0.14 -0.55 8.46 8.41 2bs9H1 ARG 261 HA 0.03 0.04 0.49 -0.75 4.34 4.14 2bs9H1 ARG 261 HB2 0.07 0.17 0.17 -0.04 1.90 2.27 2bs9H1 ARG 261 HB3 0.05 0.03 0.18 -0.04 1.80 2.03 2bs9H1 ARG 261 HG2 0.10 0.04 0.06 -0.04 1.67 1.83 2bs9H1 ARG 261 HG3 0.06 -0.08 -0.20 -0.04 1.67 1.41 2bs9H1 ARG 261 HD2 0.05 -0.02 0.02 -0.04 3.22 3.23 2bs9H1 ARG 261 HD3 0.04 -0.09 0.14 -0.04 3.22 3.27 2bs9H1 ALA 262 H 0.02 0.43 -0.27 -0.55 8.40 8.03 2bs9H1 ALA 262 HA 0.03 0.04 0.36 -0.75 4.34 4.02 2bs9H1 ALA 262 HB3 0.02 0.02 0.11 -0.04 1.41 1.52 2bs9H1 LEU 263 H 0.04 0.38 -0.21 -0.55 8.37 8.03 2bs9H1 LEU 263 HA 0.05 0.01 0.39 -0.75 4.35 4.04 2bs9H1 LEU 263 HB2 0.05 0.18 0.15 -0.04 1.64 1.98 2bs9H1 LEU 263 HB3 0.07 -0.08 -0.04 -0.04 1.64 1.54 2bs9H1 LEU 263 HG 0.05 0.16 0.02 -0.04 1.64 1.82 2bs9H1 LEU 263 HD13 0.07 -0.06 -0.01 -0.04 0.93 0.89 2bs9H1 LEU 263 HD23 0.05 -0.02 -0.02 -0.04 0.89 0.86 2bs9H1 ILE 264 H 0.04 0.42 -0.25 -0.55 8.25 7.91 2bs9H1 ILE 264 HA 0.05 -0.04 0.43 -0.75 4.18 3.88 2bs9H1 ILE 264 HB 0.03 0.22 0.17 -0.04 1.89 2.27 2bs9H1 ILE 264 HG12 0.04 -0.08 -0.01 -0.04 1.49 1.40 2bs9H1 ILE 264 HG13 0.04 -0.01 0.03 -0.04 1.21 1.24 2bs9H1 ILE 264 HG23 0.02 0.04 -0.10 -0.04 0.93 0.85 2bs9H1 ILE 264 HD13 0.02 0.01 -0.08 -0.04 0.88 0.78 2bs9H1 ARG 265 H 0.03 0.39 -0.10 -0.55 8.46 8.24 2bs9H1 ARG 265 HA 0.03 0.07 0.36 -0.75 4.34 4.04 2bs9H1 ARG 265 HB2 0.03 0.03 0.12 -0.04 1.90 2.04 2bs9H1 ARG 265 HB3 0.03 -0.07 0.10 -0.04 1.80 1.82 2bs9H1 ARG 265 HG2 0.04 0.11 0.11 -0.04 1.67 1.89 2bs9H1 ARG 265 HG3 0.04 -0.08 -0.02 -0.04 1.67 1.57 2bs9H1 ARG 265 HD2 0.04 -0.09 0.03 -0.04 3.22 3.16 2bs9H1 ARG 265 HD3 0.04 0.17 0.06 -0.04 3.22 3.45 2bs9H1 GLN 266 H 0.03 0.26 -0.54 -0.55 8.47 7.68 2bs9H1 GLN 266 HA 0.02 0.08 0.68 -0.75 4.36 4.39 2bs9H1 GLN 266 HB2 0.03 0.10 0.09 -0.04 2.15 2.33 2bs9H1 GLN 266 HB3 0.03 -0.11 0.12 -0.04 2.02 2.03 2bs9H1 GLN 266 HG2 0.02 -0.09 0.02 -0.04 2.40 2.31 2bs9H1 GLN 266 HG3 0.02 0.03 -0.11 -0.04 2.39 2.29 2bs9H1 GLN 266 HE21 0.03 -0.08 -0.08 -0.04 6.97 6.80 2bs9H1 GLN 266 HE22 0.03 -0.04 -0.03 -0.04 7.69 7.60 2bs9H1 SER 267 H 0.03 0.46 -0.35 -0.55 8.46 8.05 2bs9H1 SER 267 HA 0.03 0.05 0.58 -0.75 4.49 4.40 2bs9H1 SER 267 HB2 0.08 -0.11 0.12 -0.04 3.95 4.00 2bs9H1 SER 267 HB3 0.06 0.19 0.14 -0.04 3.93 4.28 2bs9H1 PRO 268 HA -0.19 0.14 0.65 -0.51 4.44 4.53 2bs9H1 PRO 268 HB2 -0.71 0.05 0.02 -0.04 2.28 1.59 2bs9H1 PRO 268 HB3 -0.35 0.00 0.14 -0.04 2.02 1.77 2bs9H1 PRO 268 HG2 -0.37 0.03 0.03 -0.04 2.03 1.68 2bs9H1 PRO 268 HG3 -0.22 0.02 0.06 -0.04 2.03 1.84 2bs9H1 PRO 268 HD2 0.00 0.08 0.10 -0.04 3.68 3.82 2bs9H1 PRO 268 HD3 -0.01 0.10 0.17 -0.04 3.65 3.87 2bs9H1 PHE 269 H 0.07 0.07 -0.38 -0.55 8.34 7.54 2bs9H1 PHE 269 HA -0.19 0.21 0.82 -0.75 4.62 4.71 2bs9H1 PHE 269 HB2 -0.17 -0.03 0.14 -0.04 3.15 3.04 2bs9H1 PHE 269 HB3 -0.36 0.01 0.10 -0.04 3.06 2.76 2bs9H1 PHE 269 HD2 -0.12 -0.03 -0.02 -0.04 7.28 7.07 2bs9H1 PHE 269 HE2 -0.15 0.09 -0.01 -0.04 7.38 7.27 2bs9H1 PHE 269 HZ -0.16 0.07 -0.31 -0.04 7.32 6.88 2bs9H1 PRO 270 HA 0.01 0.21 0.13 -0.51 4.44 4.28 2bs9H1 PRO 270 HB2 0.04 -0.04 -0.02 -0.04 2.28 2.22 2bs9H1 PRO 270 HB3 0.02 0.24 0.12 -0.04 2.02 2.36 2bs9H1 PRO 270 HG2 0.06 -0.05 -0.01 -0.04 2.03 1.98 2bs9H1 PRO 270 HG3 0.01 0.06 0.01 -0.04 2.03 2.07 2bs9H1 PRO 270 HD2 -0.02 0.10 -0.07 -0.04 3.68 3.65 2bs9H1 PRO 270 HD3 -0.06 0.26 -0.31 -0.04 3.65 3.51 2bs9H1 HIS 271 H -0.13 0.05 -0.44 -0.55 8.41 7.35 2bs9H1 HIS 271 HA 0.04 0.16 0.64 -0.75 4.63 4.72 2bs9H1 HIS 271 HB2 0.04 -0.01 0.10 -0.04 3.26 3.35 2bs9H1 HIS 271 HB3 0.04 -0.05 0.01 -0.04 3.20 3.16 2bs9H1 HIS 271 HD2 0.07 0.02 -0.28 -0.04 6.97 6.74 2bs9H1 HIS 271 HE1 0.11 0.01 0.00 -0.04 7.75 7.82 2bs9H1 LEU 272 H -0.12 0.35 -0.32 -0.55 8.37 7.73 2bs9H1 LEU 272 HA 0.05 0.12 0.26 -0.75 4.35 4.03 2bs9H1 LEU 272 HB2 -0.04 0.00 0.05 -0.04 1.64 1.62 2bs9H1 LEU 272 HB3 -0.01 -0.03 -0.10 -0.04 1.64 1.47 2bs9H1 LEU 272 HG -0.21 -0.01 -0.03 -0.04 1.64 1.35 2bs9H1 LEU 272 HD13 -0.26 -0.03 -0.12 -0.04 0.93 0.48 2bs9H1 LEU 272 HD23 -0.06 0.02 -0.37 -0.04 0.89 0.44 2bs9H1 PRO 273 HA -0.05 0.07 0.59 -0.51 4.44 4.55 2bs9H1 PRO 273 HB2 -0.32 -0.08 -0.03 -0.04 2.28 1.82 2bs9H1 PRO 273 HB3 -0.13 -0.00 0.11 -0.04 2.02 1.95 2bs9H1 PRO 273 HG2 0.05 0.08 0.14 -0.04 2.03 2.26 2bs9H1 PRO 273 HG3 0.03 0.04 0.13 -0.04 2.03 2.19 2bs9H1 PRO 273 HD2 0.09 0.32 0.35 -0.04 3.68 4.40 2bs9H1 PRO 273 HD3 0.12 0.24 0.27 -0.04 3.65 4.24 2bs9H1 LEU 274 H -0.14 0.09 0.19 -0.55 8.37 7.96 2bs9H1 LEU 274 HA -0.07 0.33 0.99 -0.75 4.35 4.84 2bs9H1 LEU 274 HB2 -0.03 0.12 -0.05 -0.04 1.64 1.64 2bs9H1 LEU 274 HB3 -0.04 -0.02 0.22 -0.04 1.64 1.76 2bs9H1 LEU 274 HG -0.11 -0.12 -0.23 -0.04 1.64 1.14 2bs9H1 LEU 274 HD13 -0.05 0.02 -0.24 -0.04 0.93 0.62 2bs9H1 LEU 274 HD23 -0.03 0.05 -0.07 -0.04 0.89 0.79 2bs9H1 HIS 275 H -0.01 0.75 0.25 -0.55 8.41 8.86 2bs9H1 HIS 275 HA -0.06 0.17 0.94 -0.75 4.63 4.93 2bs9H1 HIS 275 HB2 0.01 -0.04 0.01 -0.04 3.26 3.20 2bs9H1 HIS 275 HB3 -0.04 -0.00 -0.18 -0.04 3.20 2.92 2bs9H1 HIS 275 HD2 -0.66 -0.02 -0.22 -0.04 6.97 6.02 2bs9H1 HIS 275 HE1 -0.40 0.06 -0.21 -0.04 7.75 7.16 2bs9H1 ILE 276 H -0.03 0.71 0.18 -0.55 8.25 8.56 2bs9H1 ILE 276 HA -0.12 0.34 0.84 -0.75 4.18 4.49 2bs9H1 ILE 276 HB -0.10 -0.08 0.30 -0.04 1.89 1.98 2bs9H1 ILE 276 HG12 -0.43 0.12 -0.00 -0.04 1.49 1.14 2bs9H1 ILE 276 HG13 -1.59 -0.04 -0.05 -0.04 1.21 -0.52 2bs9H1 ILE 276 HG23 -0.06 -0.01 -0.10 -0.04 0.93 0.72 2bs9H1 ILE 276 HD13 -0.33 -0.01 -0.21 -0.04 0.88 0.29 2bs9H1 THR 277 H -0.15 0.19 0.00 -0.55 8.28 7.77 2bs9H1 THR 277 HA -0.20 0.08 0.07 -0.75 4.39 3.58 2bs9H1 THR 277 HB -0.36 0.02 -0.04 -0.04 4.32 3.90 2bs9H1 THR 277 HG23 -0.49 0.05 -0.20 -0.04 1.22 0.54 2bs9H1 GLU 278 H 0.07 0.16 -0.26 -0.55 8.60 8.02 2bs9H1 GLU 278 HA -0.05 0.34 0.24 -0.75 4.29 4.07 2bs9H1 GLU 278 HB2 -0.31 -0.14 -0.02 -0.04 2.09 1.58 2bs9H1 GLU 278 HB3 -0.60 -0.01 -0.07 -0.04 1.99 1.27 2bs9H1 GLU 278 HG2 -1.28 0.06 0.04 -0.04 2.34 1.12 2bs9H1 GLU 278 HG3 -0.31 0.01 -0.41 -0.04 2.34 1.58 2bs9H1 TYR 279 H -0.11 0.46 0.20 -0.55 8.29 8.29 2bs9H1 TYR 279 HA -0.67 0.23 0.35 -0.75 4.56 3.71 2bs9H1 TYR 279 HB2 0.03 0.10 0.19 -0.04 3.06 3.34 2bs9H1 TYR 279 HB3 0.09 -0.03 -0.02 -0.04 2.98 2.98 2bs9H1 TYR 279 HD2 0.23 -0.01 -0.38 -0.04 7.15 6.95 2bs9H1 TYR 279 HE2 0.35 0.11 -0.31 -0.04 6.85 6.97 2bs9H1 ASN 280 H -0.23 0.49 0.28 -0.55 8.53 8.52 2bs9H1 ASN 280 HA 0.00 0.07 0.23 -0.75 4.76 4.31 2bs9H1 ASN 280 HB2 -0.16 0.17 0.01 -0.04 2.88 2.85 2bs9H1 ASN 280 HB3 0.41 0.12 -0.09 -0.04 2.79 3.19 2bs9H1 ASN 280 HD21 0.08 0.01 0.14 -0.04 7.03 7.21 2bs9H1 ASN 280 HD22 -0.18 0.36 0.26 -0.04 7.74 8.13 2bs9H1 THR 281 H 0.12 0.18 0.10 -0.55 8.28 8.13 2bs9H1 THR 281 HA -0.11 0.07 0.67 -0.75 4.39 4.27 2bs9H1 THR 281 HB -0.31 0.02 -0.00 -0.04 4.32 3.98 2bs9H1 THR 281 HG23 -0.67 0.02 0.00 -0.04 1.22 0.53 2bs9H1 SER 282 H -0.06 0.14 0.09 -0.55 8.46 8.08 2bs9H1 SER 282 HA -0.19 0.08 0.61 -0.75 4.49 4.23 2bs9H1 SER 282 HB2 -0.27 0.05 0.06 -0.04 3.95 3.74 2bs9H1 SER 282 HB3 -0.49 0.04 0.16 -0.04 3.93 3.60 2bs9H1 TYR 283 H -0.71 0.17 0.09 -0.55 8.29 7.29 2bs9H1 TYR 283 HA -0.36 0.21 0.61 -0.75 4.56 4.27 2bs9H1 TYR 283 HB2 -0.59 0.00 0.10 -0.04 3.06 2.53 2bs9H1 TYR 283 HB3 -1.67 0.01 -0.02 -0.04 2.98 1.27 2bs9H1 TYR 283 HD2 -0.08 -0.02 -0.22 -0.04 7.15 6.79 2bs9H1 TYR 283 HE2 0.05 0.10 -0.08 -0.04 6.85 6.87 2bs9H1 SER 284 H 0.03 0.07 -0.33 -0.55 8.46 7.69 2bs9H1 SER 284 HA 0.14 0.26 0.89 -0.75 4.49 5.02 2bs9H1 SER 284 HB2 -0.02 0.08 -0.05 -0.04 3.95 3.92 2bs9H1 SER 284 HB3 -0.10 -0.03 0.03 -0.04 3.93 3.79 2bs9H1 PRO 285 HA -1.43 0.14 0.40 -0.51 4.44 3.04 2bs9H1 PRO 285 HB2 -0.21 0.03 0.09 -0.04 2.28 2.15 2bs9H1 PRO 285 HB3 -0.58 -0.01 0.06 -0.04 2.02 1.46 2bs9H1 PRO 285 HG2 -0.03 0.11 -0.13 -0.04 2.03 1.93 2bs9H1 PRO 285 HG3 0.29 -0.09 0.01 -0.04 2.03 2.19 2bs9H1 PRO 285 HD2 -0.08 0.11 0.12 -0.04 3.68 3.78 2bs9H1 PRO 285 HD3 0.23 0.23 0.16 -0.04 3.65 4.23 2bs9H1 ILE 286 H -0.26 -0.04 -0.72 -0.55 8.25 6.68 2bs9H1 ILE 286 HA -0.13 0.38 0.59 -0.75 4.18 4.27 2bs9H1 ILE 286 HB -0.01 0.22 0.26 -0.04 1.89 2.32 2bs9H1 ILE 286 HG12 -0.29 -0.09 -0.18 -0.04 1.49 0.89 2bs9H1 ILE 286 HG13 -0.27 -0.10 -0.18 -0.04 1.21 0.63 2bs9H1 ILE 286 HG23 -0.04 -0.01 -0.14 -0.04 0.93 0.71 2bs9H1 ILE 286 HD13 -0.23 -0.01 -0.34 -0.04 0.88 0.25 2bs9H1 ASN 287 H -0.16 0.48 0.08 -0.55 8.53 8.38 2bs9H1 ASN 287 HA -0.25 0.32 1.12 -0.75 4.76 5.20 2bs9H1 ASN 287 HB2 -0.18 -0.03 0.14 -0.04 2.88 2.76 2bs9H1 ASN 287 HB3 -0.37 -0.01 0.27 -0.04 2.79 2.64 2bs9H1 ASN 287 HD21 -0.13 -0.14 0.11 -0.04 7.03 6.83 2bs9H1 ASN 287 HD22 -0.19 -0.02 -0.01 -0.04 7.74 7.47 2bs9H1 PRO 288 HA -0.23 -0.04 0.22 -0.51 4.44 3.87 2bs9H1 PRO 288 HB2 -0.12 0.02 -0.09 -0.04 2.28 2.05 2bs9H1 PRO 288 HB3 -0.06 0.05 -0.00 -0.04 2.02 1.97 2bs9H1 PRO 288 HG2 -0.64 0.04 -0.02 -0.04 2.03 1.37 2bs9H1 PRO 288 HG3 -0.78 0.10 -0.08 -0.04 2.03 1.22 2bs9H1 PRO 288 HD2 -0.48 0.09 0.18 -0.04 3.68 3.43 2bs9H1 PRO 288 HD3 -0.46 0.42 0.13 -0.04 3.65 3.70 2bs9H1 VAL 289 H -0.27 0.12 -0.43 -0.55 8.24 7.12 2bs9H1 VAL 289 HA -0.31 0.03 0.49 -0.75 4.13 3.58 2bs9H1 VAL 289 HB -0.19 0.02 0.10 -0.04 2.12 2.01 2bs9H1 VAL 289 HG13 -0.43 0.03 -0.02 -0.04 0.97 0.50 2bs9H1 VAL 289 HG23 -0.18 -0.00 -0.01 -0.04 0.95 0.72 2bs9H1 HIS 290 H -0.39 0.55 -0.09 -0.55 8.41 7.94 2bs9H1 HIS 290 HA -0.10 -0.03 0.36 -0.75 4.63 4.10 2bs9H1 HIS 290 HB2 -0.24 -0.09 -0.20 -0.04 3.26 2.69 2bs9H1 HIS 290 HB3 -0.12 0.17 -0.04 -0.04 3.20 3.16 2bs9H1 HIS 290 HD2 0.04 -0.05 0.08 -0.04 6.97 6.99 2bs9H1 HIS 290 HE1 -0.19 0.06 -0.07 -0.04 7.75 7.51 2bs9H1 ASP 291 H -0.35 0.38 -0.47 -0.55 8.40 7.41 2bs9H1 ASP 291 HA -0.20 0.20 0.70 -0.75 4.63 4.58 2bs9H1 ASP 291 HB2 -0.85 0.13 0.05 -0.04 2.71 2.00 2bs9H1 ASP 291 HB3 -0.57 -0.06 0.14 -0.04 2.70 2.18 2bs9H1 THR 292 H -0.39 0.43 -0.14 -0.55 8.28 7.63 2bs9H1 THR 292 HA -0.47 0.18 0.72 -0.75 4.39 4.07 2bs9H1 THR 292 HB -0.36 -0.07 0.17 -0.04 4.32 4.02 2bs9H1 THR 292 HG23 -1.24 0.06 0.00 -0.04 1.22 0.00 2bs9H1 ALA 293 H -0.03 0.19 0.17 -0.55 8.40 8.18 2bs9H1 ALA 293 HA 0.03 0.11 0.58 -0.75 4.34 4.30 2bs9H1 ALA 293 HB3 0.08 0.11 -0.02 -0.04 1.41 1.54 2bs9H1 LEU 294 H -0.04 0.07 -0.11 -0.55 8.37 7.75 2bs9H1 LEU 294 HA 0.06 0.10 0.52 -0.75 4.35 4.28 2bs9H1 LEU 294 HB2 0.01 0.07 0.10 -0.04 1.64 1.78 2bs9H1 LEU 294 HB3 -0.06 -0.03 0.06 -0.04 1.64 1.57 2bs9H1 LEU 294 HG 0.11 -0.07 -0.03 -0.04 1.64 1.61 2bs9H1 LEU 294 HD13 0.06 0.04 -0.03 -0.04 0.93 0.96 2bs9H1 LEU 294 HD23 -0.01 0.00 -0.20 -0.04 0.89 0.64 2bs9H1 ASN 295 H -0.07 0.19 -0.26 -0.55 8.53 7.83 2bs9H1 ASN 295 HA 0.00 -0.02 0.40 -0.75 4.76 4.38 2bs9H1 ASN 295 HB2 -0.09 0.21 0.16 -0.04 2.88 3.12 2bs9H1 ASN 295 HB3 0.00 0.12 0.02 -0.04 2.79 2.89 2bs9H1 ASN 295 HD21 0.32 -0.07 0.04 -0.04 7.03 7.28 2bs9H1 ASN 295 HD22 0.19 0.11 -0.02 -0.04 7.74 7.97 2bs9H1 ALA 296 H 0.02 0.26 -0.29 -0.55 8.40 7.83 2bs9H1 ALA 296 HA 0.01 0.03 0.30 -0.75 4.34 3.93 2bs9H1 ALA 296 HB3 0.04 0.02 -0.15 -0.04 1.41 1.28 2bs9H1 ALA 297 H 0.08 0.49 -0.17 -0.55 8.40 8.25 2bs9H1 ALA 297 HA 0.07 0.08 0.31 -0.75 4.34 4.05 2bs9H1 ALA 297 HB3 0.16 0.02 -0.12 -0.04 1.41 1.43 2bs9H1 TYR 298 H 0.17 0.52 -0.25 -0.55 8.29 8.18 2bs9H1 TYR 298 HA -0.01 0.00 0.49 -0.75 4.56 4.29 2bs9H1 TYR 298 HB2 0.02 0.05 0.08 -0.04 3.06 3.17 2bs9H1 TYR 298 HB3 0.02 0.07 0.15 -0.04 2.98 3.18 2bs9H1 TYR 298 HD2 0.04 0.03 -0.29 -0.04 7.15 6.88 2bs9H1 TYR 298 HE2 0.04 0.08 -0.09 -0.04 6.85 6.84 2bs9H1 ILE 299 H 0.16 0.66 -0.03 -0.55 8.25 8.50 2bs9H1 ILE 299 HA 0.21 -0.04 0.40 -0.75 4.18 3.99 2bs9H1 ILE 299 HB 0.06 0.21 0.15 -0.04 1.89 2.27 2bs9H1 ILE 299 HG12 0.32 0.05 -0.02 -0.04 1.49 1.79 2bs9H1 ILE 299 HG13 0.48 -0.04 -0.02 -0.04 1.21 1.59 2bs9H1 ILE 299 HG23 -0.10 0.01 -0.17 -0.04 0.93 0.64 2bs9H1 ILE 299 HD13 0.29 -0.04 -0.04 -0.04 0.88 1.05 2bs9H1 ALA 300 H -0.23 0.41 -0.44 -0.55 8.40 7.59 2bs9H1 ALA 300 HA -0.55 0.03 0.25 -0.75 4.34 3.32 2bs9H1 ALA 300 HB3 -0.48 0.06 0.04 -0.04 1.41 0.99 2bs9H1 ARG 301 H -0.69 0.32 -0.33 -0.55 8.46 7.21 2bs9H1 ARG 301 HA -0.60 0.09 0.38 -0.75 4.34 3.45 2bs9H1 ARG 301 HB2 -0.09 0.07 0.13 -0.04 1.90 1.96 2bs9H1 ARG 301 HB3 -0.27 0.15 0.14 -0.04 1.80 1.77 2bs9H1 ARG 301 HG2 -0.08 -0.14 -0.06 -0.04 1.67 1.35 2bs9H1 ARG 301 HG3 -0.07 -0.04 -0.32 -0.04 1.67 1.20 2bs9H1 ARG 301 HD2 0.42 0.06 0.03 -0.04 3.22 3.69 2bs9H1 ARG 301 HD3 0.27 0.10 0.10 -0.04 3.22 3.66 2bs9H1 ILE 302 H -0.22 0.28 -0.19 -0.55 8.25 7.57 2bs9H1 ILE 302 HA -0.23 -0.02 0.40 -0.75 4.18 3.58 2bs9H1 ILE 302 HB 0.04 0.16 0.07 -0.04 1.89 2.12 2bs9H1 ILE 302 HG12 0.01 0.16 0.05 -0.04 1.49 1.67 2bs9H1 ILE 302 HG13 0.10 -0.04 -0.06 -0.04 1.21 1.18 2bs9H1 ILE 302 HG23 -0.43 -0.01 -0.11 -0.04 0.93 0.33 2bs9H1 ILE 302 HD13 -0.21 -0.04 -0.08 -0.04 0.88 0.50 2bs9H1 LEU 303 H -0.30 0.58 -0.12 -0.55 8.37 7.99 2bs9H1 LEU 303 HA 0.15 -0.01 0.39 -0.75 4.35 4.12 2bs9H1 LEU 303 HB2 -1.51 0.16 0.08 -0.04 1.64 0.32 2bs9H1 LEU 303 HB3 -1.56 0.01 -0.02 -0.04 1.64 0.03 2bs9H1 LEU 303 HG -0.48 0.11 -0.05 -0.04 1.64 1.17 2bs9H1 LEU 303 HD13 -1.19 -0.01 -0.18 -0.04 0.93 -0.49 2bs9H1 LEU 303 HD23 -0.29 -0.02 -0.03 -0.04 0.89 0.51 2bs9H1 SER 304 H -0.32 0.39 -0.36 -0.55 8.46 7.62 2bs9H1 SER 304 HA 0.36 0.03 0.33 -0.75 4.49 4.45 2bs9H1 SER 304 HB2 -0.04 0.07 0.09 -0.04 3.95 4.03 2bs9H1 SER 304 HB3 0.13 0.08 0.05 -0.04 3.93 4.16 2bs9H1 GLU 305 H -0.04 0.27 -0.25 -0.55 8.60 8.04 2bs9H1 GLU 305 HA 0.03 0.21 0.83 -0.75 4.29 4.59 2bs9H1 GLU 305 HB2 -0.01 0.12 0.02 -0.04 2.09 2.18 2bs9H1 GLU 305 HB3 0.02 -0.07 -0.09 -0.04 1.99 1.81 2bs9H1 GLU 305 HG2 0.00 -0.00 -0.03 -0.04 2.34 2.27 2bs9H1 GLU 305 HG3 0.07 0.05 -0.23 -0.04 2.34 2.20 2bs9H1 GLY 306 H -0.20 0.77 0.13 -0.55 8.43 8.58 2bs9H1 GLY 306 HA2 -0.14 -0.03 0.27 -0.51 4.01 3.60 2bs9H1 GLY 306 HA3 -0.94 0.07 0.27 -0.51 4.01 2.90 2bs9H1 GLY 307 H 0.09 0.22 -0.23 -0.55 8.43 7.97 2bs9H1 GLY 307 HA2 0.18 0.18 0.38 -0.51 4.01 4.24 2bs9H1 GLY 307 HA3 0.14 -0.01 0.23 -0.51 4.01 3.86 2bs9H1 ASP 308 H -0.20 0.38 -0.40 -0.55 8.40 7.63 2bs9H1 ASP 308 HA -0.17 0.04 0.56 -0.75 4.63 4.30 2bs9H1 ASP 308 HB2 -1.43 0.06 0.01 -0.04 2.71 1.30 2bs9H1 ASP 308 HB3 -0.61 -0.07 0.04 -0.04 2.70 2.01 2bs9H1 TYR 309 H -0.07 0.48 -0.21 -0.55 8.29 7.94 2bs9H1 TYR 309 HA 0.03 0.16 0.77 -0.75 4.56 4.77 2bs9H1 TYR 309 HB2 0.17 0.06 -0.02 -0.04 3.06 3.23 2bs9H1 TYR 309 HB3 0.09 -0.07 -0.21 -0.04 2.98 2.74 2bs9H1 TYR 309 HD2 -0.00 0.03 -0.07 -0.04 7.15 7.06 2bs9H1 TYR 309 HE2 -0.04 -0.05 -0.08 -0.04 6.85 6.64 2bs9H1 VAL 310 H 0.07 0.26 0.09 -0.55 8.24 8.11 2bs9H1 VAL 310 HA 0.01 0.15 0.90 -0.75 4.13 4.44 2bs9H1 VAL 310 HB -0.10 0.11 0.07 -0.04 2.12 2.16 2bs9H1 VAL 310 HG13 -0.28 -0.01 -0.27 -0.04 0.97 0.36 2bs9H1 VAL 310 HG23 -0.00 0.01 -0.37 -0.04 0.95 0.55 2bs9H1 ASP 311 H -0.00 0.34 0.34 -0.55 8.40 8.53 2bs9H1 ASP 311 HA -0.03 0.15 0.73 -0.75 4.63 4.73 2bs9H1 ASP 311 HB2 -0.03 -0.03 0.03 -0.04 2.71 2.64 2bs9H1 ASP 311 HB3 -0.09 0.03 0.06 -0.04 2.70 2.66 2bs9H1 SER 312 H 0.14 0.35 0.20 -0.55 8.46 8.60 2bs9H1 SER 312 HA 0.08 0.22 0.16 -0.75 4.49 4.20 2bs9H1 SER 312 HB2 0.11 -0.01 -0.03 -0.04 3.95 3.97 2bs9H1 SER 312 HB3 -0.43 0.15 -0.01 -0.04 3.93 3.60 2bs9H1 PHE 313 H -0.04 0.41 0.01 -0.55 8.34 8.16 2bs9H1 PHE 313 HA 0.01 0.16 0.65 -0.75 4.62 4.69 2bs9H1 PHE 313 HB2 -0.14 -0.02 -0.09 -0.04 3.15 2.86 2bs9H1 PHE 313 HB3 -0.19 0.01 -0.05 -0.04 3.06 2.79 2bs9H1 PHE 313 HD2 -0.27 -0.05 -0.35 -0.04 7.28 6.57 2bs9H1 PHE 313 HE2 0.06 -0.03 -0.30 -0.04 7.38 7.08 2bs9H1 PHE 313 HZ 0.14 0.14 0.01 -0.04 7.32 7.57 2bs9H1 SER 314 H 0.23 0.70 0.03 -0.55 8.46 8.88 2bs9H1 SER 314 HA 0.10 0.45 0.54 -0.75 4.49 4.83 2bs9H1 SER 314 HB2 -0.05 -0.04 -0.34 -0.04 3.95 3.47 2bs9H1 SER 314 HB3 -0.03 -0.02 -0.16 -0.04 3.93 3.68 2bs9H1 TYR 315 H 0.22 0.36 0.22 -0.55 8.29 8.53 2bs9H1 TYR 315 HA -0.60 0.15 0.53 -0.75 4.56 3.89 2bs9H1 TYR 315 HB2 0.13 0.08 0.10 -0.04 3.06 3.33 2bs9H1 TYR 315 HB3 -0.22 -0.04 0.11 -0.04 2.98 2.79 2bs9H1 TYR 315 HD2 -0.43 -0.05 -0.23 -0.04 7.15 6.39 2bs9H1 TYR 315 HE2 -0.05 -0.03 -0.09 -0.04 6.85 6.64 2bs9H1 TRP 316 H -0.54 0.59 0.31 -0.55 7.97 7.79 2bs9H1 TRP 316 HA -0.40 -0.05 0.62 -0.75 4.62 4.04 2bs9H1 TRP 316 HB2 -0.41 0.01 0.11 -0.04 3.23 2.90 2bs9H1 TRP 316 HB3 -0.61 0.02 0.09 -0.04 3.23 2.68 2bs9H1 TRP 316 HD1 -2.34 0.01 -0.15 -0.04 7.22 4.70 2bs9H1 TRP 316 HE1 -0.24 -0.06 -0.09 -0.04 10.20 9.76 2bs9H1 TRP 316 HE3 -0.24 0.10 0.05 -0.04 7.59 7.46 2bs9H1 TRP 316 HZ2 0.29 -0.13 -0.02 -0.04 7.44 7.54 2bs9H1 TRP 316 HZ3 -0.27 0.26 0.12 -0.04 7.13 7.20 2bs9H1 TRP 316 HH2 -0.72 -0.20 0.06 -0.04 7.19 6.30 2bs9H1 THR 317 H -0.36 0.32 -0.27 -0.55 8.28 7.42 2bs9H1 THR 317 HA -0.36 0.21 0.37 -0.75 4.39 3.85 2bs9H1 THR 317 HB -0.35 0.00 -0.02 -0.04 4.32 3.91 2bs9H1 THR 317 HG23 -1.37 0.00 -0.25 -0.04 1.22 -0.43 2bs9H1 PHE 318 H 0.12 0.66 0.24 -0.55 8.34 8.80 2bs9H1 PHE 318 HA -0.15 0.13 0.67 -0.75 4.62 4.51 2bs9H1 PHE 318 HB2 -0.19 0.05 0.12 -0.04 3.15 3.09 2bs9H1 PHE 318 HB3 -0.35 0.14 0.15 -0.04 3.06 2.96 2bs9H1 PHE 318 HD2 -0.23 0.13 0.05 -0.04 7.28 7.18 2bs9H1 PHE 318 HE2 -0.42 -0.05 -0.08 -0.04 7.38 6.79 2bs9H1 PHE 318 HZ -1.88 0.00 -0.05 -0.04 7.32 5.35 2bs9H1 SER 319 H -0.55 0.14 -0.12 -0.55 8.46 7.39 2bs9H1 SER 319 HA -0.39 0.22 0.92 -0.75 4.49 4.48 2bs9H1 SER 319 HB2 -1.22 0.18 -0.16 -0.04 3.95 2.71 2bs9H1 SER 319 HB3 -2.42 0.02 -0.06 -0.04 3.93 1.43 2bs9H1 ASP 320 H -0.20 0.58 0.21 -0.55 8.40 8.45 2bs9H1 ASP 320 HA -0.17 -0.01 0.55 -0.75 4.63 4.24 2bs9H1 ASP 320 HB2 -0.06 0.01 0.21 -0.04 2.71 2.83 2bs9H1 ASP 320 HB3 0.09 0.03 0.16 -0.04 2.70 2.94 2bs9H1 VAL 321 H -0.35 0.06 -0.28 -0.55 8.24 7.13 2bs9H1 VAL 321 HA -0.11 0.09 0.65 -0.75 4.13 4.01 2bs9H1 VAL 321 HB -0.19 0.02 0.04 -0.04 2.12 1.94 2bs9H1 VAL 321 HG13 0.05 0.00 -0.17 -0.04 0.97 0.81 2bs9H1 VAL 321 HG23 -0.38 -0.01 -0.14 -0.04 0.95 0.38 2bs9H1 PHE 322 H 0.04 0.43 0.27 -0.55 8.34 8.52 2bs9H1 PHE 322 HA -0.06 -0.06 0.70 -0.75 4.62 4.45 2bs9H1 PHE 322 HB2 -0.10 0.04 -0.53 -0.04 3.15 2.52 2bs9H1 PHE 322 HB3 -0.03 0.10 -0.07 -0.04 3.06 3.02 2bs9H1 PHE 322 HD2 -0.09 0.09 0.01 -0.04 7.28 7.24 2bs9H1 PHE 322 HE2 -0.20 0.06 -0.05 -0.04 7.38 7.15 2bs9H1 PHE 322 HZ 0.47 0.08 -0.02 -0.04 7.32 7.81 2bs9H1 GLU 323 H -0.38 -0.03 0.17 -0.55 8.60 7.82 2bs9H1 GLU 323 HA 0.06 0.51 0.54 -0.75 4.29 4.64 2bs9H1 GLU 323 HB2 0.01 -0.07 -0.04 -0.04 2.09 1.95 2bs9H1 GLU 323 HB3 0.40 -0.02 0.07 -0.04 1.99 2.38 2bs9H1 GLU 323 HG2 0.02 0.15 -0.13 -0.04 2.34 2.34 2bs9H1 GLU 323 HG3 -0.03 -0.07 -0.45 -0.04 2.34 1.74 2bs9H1 GLU 324 H -0.14 0.09 0.12 -0.55 8.60 8.13 2bs9H1 GLU 324 HA -0.07 -0.04 0.44 -0.75 4.29 3.86 2bs9H1 GLU 324 HB2 0.31 0.04 0.14 -0.04 2.09 2.54 2bs9H1 GLU 324 HB3 -0.02 0.06 0.05 -0.04 1.99 2.03 2bs9H1 GLU 324 HG2 -1.76 -0.02 0.07 -0.04 2.34 0.59 2bs9H1 GLU 324 HG3 -0.57 -0.11 0.12 -0.04 2.34 1.74 2bs9H1 MET 325 H 0.15 0.15 -0.24 -0.55 8.47 7.98 2bs9H1 MET 325 HA 0.09 0.13 0.85 -0.75 4.52 4.83 2bs9H1 MET 325 HB2 0.01 0.06 0.01 -0.04 2.15 2.19 2bs9H1 MET 325 HB3 -0.02 0.08 0.11 -0.04 2.03 2.16 2bs9H1 MET 325 HG2 0.08 -0.15 -0.26 -0.04 2.63 2.27 2bs9H1 MET 325 HG3 -0.09 -0.03 -0.10 -0.04 2.56 2.29 2bs9H1 MET 325 HE3 0.03 0.02 -0.01 -0.04 2.10 2.11 2bs9H1 ASP 326 H -0.02 0.27 -0.39 -0.55 8.40 7.71 2bs9H1 ASP 326 HA -1.28 -0.00 0.30 -0.75 4.63 2.89 2bs9H1 ASP 326 HB2 -0.24 -0.08 -0.42 -0.04 2.71 1.94 2bs9H1 ASP 326 HB3 -0.19 0.25 0.15 -0.04 2.70 2.87 2bs9H1 VAL 327 H -0.32 0.08 0.13 -0.55 8.24 7.58 2bs9H1 VAL 327 HA -0.09 0.11 0.51 -0.75 4.13 3.91 2bs9H1 VAL 327 HB -0.08 -0.00 0.10 -0.04 2.12 2.10 2bs9H1 VAL 327 HG13 -0.06 0.05 -0.05 -0.04 0.97 0.87 2bs9H1 VAL 327 HG23 -0.06 -0.03 0.05 -0.04 0.95 0.87 2bs9H1 PRO 328 HA -0.16 -0.00 0.46 -0.51 4.44 4.22 2bs9H1 PRO 328 HB2 -0.37 -0.01 0.10 -0.04 2.28 1.95 2bs9H1 PRO 328 HB3 -1.36 0.09 0.14 -0.04 2.02 0.85 2bs9H1 PRO 328 HG2 -0.31 -0.01 0.19 -0.04 2.03 1.86 2bs9H1 PRO 328 HG3 -0.29 0.03 0.18 -0.04 2.03 1.92 2bs9H1 PRO 328 HD2 -0.12 -0.02 0.29 -0.04 3.68 3.79 2bs9H1 PRO 328 HD3 -0.06 0.35 0.38 -0.04 3.65 4.28 2bs9H1 LYS 329 H -0.02 0.12 0.21 -0.55 8.42 8.18 2bs9H1 LYS 329 HA 0.15 0.13 0.54 -0.75 4.32 4.38 2bs9H1 LYS 329 HB2 0.00 -0.01 0.11 -0.04 1.87 1.94 2bs9H1 LYS 329 HB3 0.10 -0.05 0.10 -0.04 1.79 1.90 2bs9H1 LYS 329 HG2 0.09 0.02 0.02 -0.04 1.46 1.55 2bs9H1 LYS 329 HG3 0.02 0.09 0.04 -0.04 1.46 1.58 2bs9H1 LYS 329 HD2 0.07 -0.01 -0.01 -0.04 1.69 1.71 2bs9H1 LYS 329 HD3 0.27 -0.06 0.00 -0.04 1.68 1.85 2bs9H1 LYS 329 HE2 0.21 -0.03 -0.01 -0.04 2.99 3.12 2bs9H1 LYS 329 HE3 0.10 -0.03 0.00 -0.04 2.99 3.02 2bs9H1 ALA 330 H -0.06 0.15 -0.14 -0.55 8.40 7.80 2bs9H1 ALA 330 HA -0.20 0.27 0.50 -0.75 4.34 4.15 2bs9H1 ALA 330 HB3 0.13 0.02 -0.10 -0.04 1.41 1.42 2bs9H1 LEU 331 H -0.02 0.29 0.16 -0.55 8.37 8.26 2bs9H1 LEU 331 HA -0.20 0.02 0.27 -0.75 4.35 3.68 2bs9H1 LEU 331 HB2 -0.11 0.10 0.06 -0.04 1.64 1.65 2bs9H1 LEU 331 HB3 -0.50 -0.02 0.12 -0.04 1.64 1.20 2bs9H1 LEU 331 HG -1.36 -0.04 -0.25 -0.04 1.64 -0.05 2bs9H1 LEU 331 HD13 -0.23 0.00 -0.05 -0.04 0.93 0.61 2bs9H1 LEU 331 HD23 -0.17 0.01 -0.08 -0.04 0.89 0.61 2bs9H1 PHE 332 H -0.98 0.18 -0.05 -0.55 8.34 6.94 2bs9H1 PHE 332 HA -0.22 0.09 0.84 -0.75 4.62 4.57 2bs9H1 PHE 332 HB2 -1.81 0.03 0.13 -0.04 3.15 1.47 2bs9H1 PHE 332 HB3 -0.23 -0.04 0.03 -0.04 3.06 2.78 2bs9H1 PHE 332 HD2 -0.77 -0.01 -0.00 -0.04 7.28 6.46 2bs9H1 PHE 332 HE2 -0.04 0.07 -0.15 -0.04 7.38 7.22 2bs9H1 PHE 332 HZ -0.00 0.07 -0.15 -0.04 7.32 7.19 2bs9H1 HIS 333 H -0.19 0.07 0.06 -0.55 8.41 7.81 2bs9H1 HIS 333 HA 0.18 0.18 0.57 -0.75 4.63 4.81 2bs9H1 HIS 333 HB2 -0.01 0.00 0.14 -0.04 3.26 3.36 2bs9H1 HIS 333 HB3 -0.02 0.09 -0.21 -0.04 3.20 3.01 2bs9H1 HIS 333 HD2 -0.08 0.08 0.01 -0.04 6.97 6.95 2bs9H1 HIS 333 HE1 -0.15 -0.07 0.14 -0.04 7.75 7.63 2bs9H1 GLY 334 H -0.19 0.05 -0.11 -0.55 8.43 7.63 2bs9H1 GLY 334 HA2 -0.20 -0.00 -0.12 -0.51 4.01 3.18 2bs9H1 GLY 334 HA3 -0.17 -0.02 -0.12 -0.51 4.01 3.19 2bs9H1 GLY 335 H -0.93 -0.10 -0.17 -0.55 8.43 6.69 2bs9H1 GLY 335 HA2 -0.57 0.27 0.40 -0.51 4.01 3.59 2bs9H1 GLY 335 HA3 -0.52 -0.03 0.28 -0.51 4.01 3.23 2bs9H1 PHE 336 H -0.84 0.07 0.09 -0.55 8.34 7.12 2bs9H1 PHE 336 HA -1.15 0.13 0.43 -0.75 4.62 3.28 2bs9H1 PHE 336 HB2 -0.93 -0.08 -0.11 -0.04 3.15 1.99 2bs9H1 PHE 336 HB3 -0.66 0.07 -0.55 -0.04 3.06 1.88 2bs9H1 PHE 336 HD2 -1.17 0.02 -0.06 -0.04 7.28 6.03 2bs9H1 PHE 336 HE2 0.28 0.00 -0.20 -0.04 7.38 7.42 2bs9H1 PHE 336 HZ 0.23 0.27 -0.54 -0.04 7.32 7.24 2bs9H1 GLY 337 H -0.30 -0.08 -0.58 -0.55 8.43 6.93 2bs9H1 GLY 337 HA2 -0.19 -0.00 -0.31 -0.51 4.01 3.00 2bs9H1 GLY 337 HA3 -0.20 -0.10 -0.25 -0.51 4.01 2.95 2bs9H1 LEU 338 H -0.01 0.30 -0.08 -0.55 8.37 8.03 2bs9H1 LEU 338 HA 0.02 0.02 0.69 -0.75 4.35 4.33 2bs9H1 LEU 338 HB2 0.05 0.19 0.19 -0.04 1.64 2.03 2bs9H1 LEU 338 HB3 0.15 -0.08 0.06 -0.04 1.64 1.73 2bs9H1 LEU 338 HG -0.01 0.20 0.07 -0.04 1.64 1.87 2bs9H1 LEU 338 HD13 -0.41 -0.01 0.03 -0.04 0.93 0.51 2bs9H1 LEU 338 HD23 -0.39 -0.02 -0.17 -0.04 0.89 0.27 2bs9H1 VAL 339 H -0.11 0.21 -0.02 -0.55 8.24 7.77 2bs9H1 VAL 339 HA -0.19 0.19 0.84 -0.75 4.13 4.21 2bs9H1 VAL 339 HB -0.11 -0.12 0.13 -0.04 2.12 1.98 2bs9H1 VAL 339 HG13 -0.62 0.05 -0.28 -0.04 0.97 0.08 2bs9H1 VAL 339 HG23 -0.13 0.05 -0.09 -0.04 0.95 0.73 2bs9H1 ALA 340 H -0.09 0.84 0.19 -0.55 8.40 8.80 2bs9H1 ALA 340 HA -0.04 -0.04 0.73 -0.75 4.34 4.24 2bs9H1 ALA 340 HB3 -0.14 0.03 0.05 -0.04 1.41 1.32 2bs9H1 LEU 341 H -0.08 0.14 0.13 -0.55 8.37 8.01 2bs9H1 LEU 341 HA -0.07 -0.04 0.42 -0.75 4.35 3.91 2bs9H1 LEU 341 HB2 -0.16 0.07 0.05 -0.04 1.64 1.56 2bs9H1 LEU 341 HB3 -0.44 0.01 0.01 -0.04 1.64 1.18 2bs9H1 LEU 341 HG -0.17 0.01 0.09 -0.04 1.64 1.53 2bs9H1 LEU 341 HD13 -0.18 0.03 -0.01 -0.04 0.93 0.73 2bs9H1 LEU 341 HD23 -0.22 -0.02 -0.03 -0.04 0.89 0.59 2bs9H1 HIS 342 H -0.24 0.07 0.13 -0.55 8.41 7.84 2bs9H1 HIS 342 HA 0.02 -0.00 0.28 -0.75 4.63 4.17 2bs9H1 HIS 342 HB2 -0.05 0.21 0.18 -0.04 3.26 3.57 2bs9H1 HIS 342 HB3 -0.02 -0.00 0.12 -0.04 3.20 3.26 2bs9H1 HIS 342 HD2 -0.09 0.08 -0.31 -0.04 6.97 6.61 2bs9H1 HIS 342 HE1 0.01 0.00 -0.07 -0.04 7.75 7.65 2bs9H1 SER 343 H -0.01 0.02 -0.17 -0.55 8.46 7.75 2bs9H1 SER 343 HA -0.76 -0.00 0.18 -0.75 4.49 3.16 2bs9H1 SER 343 HB2 -0.10 0.13 -0.13 -0.04 3.95 3.81 2bs9H1 SER 343 HB3 -0.24 0.05 0.09 -0.04 3.93 3.78 2bs9H1 ILE 344 H -0.11 0.28 -0.48 -0.55 8.25 7.39 2bs9H1 ILE 344 HA -0.09 0.22 0.75 -0.75 4.18 4.31 2bs9H1 ILE 344 HB -0.04 -0.12 -0.02 -0.04 1.89 1.67 2bs9H1 ILE 344 HG12 0.01 0.04 -0.14 -0.04 1.49 1.36 2bs9H1 ILE 344 HG13 0.02 0.07 -0.26 -0.04 1.21 0.99 2bs9H1 ILE 344 HG23 0.13 0.00 -0.29 -0.04 0.93 0.73 2bs9H1 ILE 344 HD13 -0.01 -0.04 -0.10 -0.04 0.88 0.69 2bs9H1 PRO 345 HA -0.48 0.02 0.55 -0.51 4.44 4.02 2bs9H1 PRO 345 HB2 -0.58 0.08 -0.01 -0.04 2.28 1.72 2bs9H1 PRO 345 HB3 -1.26 0.01 0.05 -0.04 2.02 0.78 2bs9H1 PRO 345 HG2 0.04 0.10 0.05 -0.04 2.03 2.18 2bs9H1 PRO 345 HG3 -0.09 0.05 0.03 -0.04 2.03 1.98 2bs9H1 PRO 345 HD2 -0.06 0.04 0.23 -0.04 3.68 3.85 2bs9H1 PRO 345 HD3 -0.22 0.31 0.25 -0.04 3.65 3.95 2bs9H1 LYS 346 H -0.12 0.51 0.41 -0.55 8.42 8.66 2bs9H1 LYS 346 HA 0.02 0.07 0.77 -0.75 4.32 4.42 2bs9H1 LYS 346 HB2 -0.01 -0.00 0.16 -0.04 1.87 1.97 2bs9H1 LYS 346 HB3 -0.03 -0.01 0.14 -0.04 1.79 1.85 2bs9H1 LYS 346 HG2 0.17 -0.07 -0.03 -0.04 1.46 1.48 2bs9H1 LYS 346 HG3 0.01 0.02 -0.23 -0.04 1.46 1.21 2bs9H1 LYS 346 HD2 -0.02 0.26 -0.01 -0.04 1.69 1.89 2bs9H1 LYS 346 HD3 0.01 -0.17 0.01 -0.04 1.68 1.49 2bs9H1 LYS 346 HE2 0.05 -0.15 -0.16 -0.04 2.99 2.69 2bs9H1 LYS 346 HE3 -0.04 -0.00 -0.50 -0.04 2.99 2.40 2bs9H1 PRO 347 HA 0.19 0.19 0.47 -0.51 4.44 4.78 2bs9H1 PRO 347 HB2 0.02 0.01 -0.07 -0.04 2.28 2.20 2bs9H1 PRO 347 HB3 0.09 0.04 0.08 -0.04 2.02 2.18 2bs9H1 PRO 347 HG2 0.00 -0.15 -0.18 -0.04 2.03 1.67 2bs9H1 PRO 347 HG3 0.10 0.20 0.14 -0.04 2.03 2.43 2bs9H1 PRO 347 HD2 -0.06 0.15 0.10 -0.04 3.68 3.83 2bs9H1 PRO 347 HD3 0.01 0.06 0.32 -0.04 3.65 4.00 2bs9H1 THR 348 H -0.01 0.17 -0.32 -0.55 8.28 7.57 2bs9H1 THR 348 HA -0.00 -0.00 0.45 -0.75 4.39 4.08 2bs9H1 THR 348 HB -0.01 0.11 0.05 -0.04 4.32 4.43 2bs9H1 THR 348 HG23 -0.10 0.01 -0.08 -0.04 1.22 1.00 2bs9H1 PHE 349 H 0.05 0.29 -0.05 -0.55 8.34 8.08 2bs9H1 PHE 349 HA -0.06 0.01 0.54 -0.75 4.62 4.35 2bs9H1 PHE 349 HB2 -0.18 0.09 0.16 -0.04 3.15 3.19 2bs9H1 PHE 349 HB3 -0.43 0.24 0.11 -0.04 3.06 2.94 2bs9H1 PHE 349 HD2 -0.22 -0.01 -0.20 -0.04 7.28 6.82 2bs9H1 PHE 349 HE2 0.03 0.01 -0.11 -0.04 7.38 7.27 2bs9H1 PHE 349 HZ 0.02 0.09 -0.08 -0.04 7.32 7.31 2bs9H1 HIS 350 H -0.16 0.34 -0.33 -0.55 8.41 7.70 2bs9H1 HIS 350 HA -0.22 0.07 0.37 -0.75 4.63 4.09 2bs9H1 HIS 350 HB2 -0.26 0.11 0.11 -0.04 3.26 3.18 2bs9H1 HIS 350 HB3 -0.81 -0.05 -0.00 -0.04 3.20 2.30 2bs9H1 HIS 350 HD2 0.06 -0.02 0.05 -0.04 6.97 7.02 2bs9H1 HIS 350 HE1 0.12 -0.04 0.01 -0.04 7.75 7.80 2bs9H1 ALA 351 H -0.10 0.31 -0.07 -0.55 8.40 7.99 2bs9H1 ALA 351 HA -0.09 0.01 0.46 -0.75 4.34 3.97 2bs9H1 ALA 351 HB3 -0.11 0.03 0.08 -0.04 1.41 1.38 2bs9H1 PHE 352 H 0.11 0.38 -0.23 -0.55 8.34 8.04 2bs9H1 PHE 352 HA -0.01 0.02 0.47 -0.75 4.62 4.34 2bs9H1 PHE 352 HB2 -0.21 0.11 0.17 -0.04 3.15 3.19 2bs9H1 PHE 352 HB3 -0.05 0.04 -0.06 -0.04 3.06 2.95 2bs9H1 PHE 352 HD2 0.08 0.13 -0.00 -0.04 7.28 7.45 2bs9H1 PHE 352 HE2 -0.11 0.07 0.00 -0.04 7.38 7.30 2bs9H1 PHE 352 HZ 0.13 -0.06 0.01 -0.04 7.32 7.36 2bs9H1 THR 353 H -0.13 0.60 -0.02 -0.55 8.28 8.19 2bs9H1 THR 353 HA 0.05 0.15 0.43 -0.75 4.39 4.26 2bs9H1 THR 353 HB -0.09 0.01 0.21 -0.04 4.32 4.40 2bs9H1 THR 353 HG23 0.29 -0.01 -0.15 -0.04 1.22 1.30 2bs9H1 PHE 354 H 0.04 0.52 -0.35 -0.55 8.34 8.01 2bs9H1 PHE 354 HA 0.00 0.03 0.44 -0.75 4.62 4.34 2bs9H1 PHE 354 HB2 0.04 0.11 0.10 -0.04 3.15 3.36 2bs9H1 PHE 354 HB3 -0.06 -0.08 -0.04 -0.04 3.06 2.84 2bs9H1 PHE 354 HD2 0.06 -0.04 -0.27 -0.04 7.28 7.00 2bs9H1 PHE 354 HE2 0.06 0.02 -0.16 -0.04 7.38 7.27 2bs9H1 PHE 354 HZ -0.01 -0.06 -0.26 -0.04 7.32 6.94 2bs9H1 PHE 355 H 0.16 0.44 -0.13 -0.55 8.34 8.25 2bs9H1 PHE 355 HA -0.29 -0.01 0.40 -0.75 4.62 3.98 2bs9H1 PHE 355 HB2 -0.94 0.10 0.13 -0.04 3.15 2.40 2bs9H1 PHE 355 HB3 -1.83 -0.01 -0.05 -0.04 3.06 1.13 2bs9H1 PHE 355 HD2 -0.46 0.19 -0.01 -0.04 7.28 6.96 2bs9H1 PHE 355 HE2 -0.31 -0.03 -0.13 -0.04 7.38 6.87 2bs9H1 PHE 355 HZ -0.43 0.02 -0.06 -0.04 7.32 6.80 2bs9H1 ASN 356 H 0.22 0.43 -0.31 -0.55 8.53 8.32 2bs9H1 ASN 356 HA 0.64 0.04 0.60 -0.75 4.76 5.28 2bs9H1 ASN 356 HB2 0.40 0.05 0.16 -0.04 2.88 3.44 2bs9H1 ASN 356 HB3 0.19 0.16 0.05 -0.04 2.79 3.15 2bs9H1 ASN 356 HD21 0.02 -0.12 -0.04 -0.04 7.03 6.86 2bs9H1 ASN 356 HD22 0.07 0.38 0.10 -0.04 7.74 8.26 2bs9H1 ALA 357 H 0.09 0.36 -0.49 -0.55 8.40 7.81 2bs9H1 ALA 357 HA 0.08 0.11 0.73 -0.75 4.34 4.51 2bs9H1 ALA 357 HB3 0.03 -0.00 0.06 -0.04 1.41 1.46 2bs9H1 LEU 358 H 0.03 0.32 -0.40 -0.55 8.37 7.77 2bs9H1 LEU 358 HA -0.07 -0.06 0.31 -0.75 4.35 3.77 2bs9H1 LEU 358 HB2 -0.02 0.22 0.07 -0.04 1.64 1.86 2bs9H1 LEU 358 HB3 -0.16 0.05 -0.00 -0.04 1.64 1.48 2bs9H1 LEU 358 HG -0.39 0.05 -0.01 -0.04 1.64 1.26 2bs9H1 LEU 358 HD13 -0.96 -0.01 -0.01 -0.04 0.93 -0.09 2bs9H1 LEU 358 HD23 -0.30 -0.06 -0.17 -0.04 0.89 0.31 2bs9H1 GLY 359 H -0.01 0.03 0.03 -0.55 8.43 7.93 2bs9H1 GLY 359 HA2 0.08 0.11 0.71 -0.51 4.01 4.41 2bs9H1 GLY 359 HA3 0.04 0.06 0.10 -0.51 4.01 3.71 2bs9H1 ASP 360 H 0.09 0.06 0.21 -0.55 8.40 8.21 2bs9H1 ASP 360 HA 0.19 0.25 0.48 -0.75 4.63 4.79 2bs9H1 ASP 360 HB2 0.07 -0.05 0.15 -0.04 2.71 2.84 2bs9H1 ASP 360 HB3 0.08 -0.02 -0.06 -0.04 2.70 2.67 2bs9H1 GLU 361 H 0.07 0.33 -0.02 -0.55 8.60 8.43 2bs9H1 GLU 361 HA 0.06 0.20 0.58 -0.75 4.29 4.37 2bs9H1 GLU 361 HB2 0.04 -0.01 0.06 -0.04 2.09 2.13 2bs9H1 GLU 361 HB3 0.03 -0.01 0.23 -0.04 1.99 2.20 2bs9H1 GLU 361 HG2 0.03 -0.04 -0.26 -0.04 2.34 2.03 2bs9H1 GLU 361 HG3 0.03 0.18 -0.01 -0.04 2.34 2.50 2bs9H1 LEU 362 H 0.07 0.51 0.22 -0.55 8.37 8.62 2bs9H1 LEU 362 HA 0.02 0.13 0.64 -0.75 4.35 4.39 2bs9H1 LEU 362 HB2 0.12 -0.01 -0.15 -0.04 1.64 1.56 2bs9H1 LEU 362 HB3 0.06 -0.01 -0.08 -0.04 1.64 1.56 2bs9H1 LEU 362 HG 0.01 -0.06 -0.36 -0.04 1.64 1.19 2bs9H1 LEU 362 HD13 -0.03 0.05 -0.06 -0.04 0.93 0.85 2bs9H1 LEU 362 HD23 0.07 -0.01 -0.13 -0.04 0.89 0.77 2bs9H1 LEU 363 H 0.01 0.55 0.44 -0.55 8.37 8.83 2bs9H1 LEU 363 HA 0.03 0.07 0.58 -0.75 4.35 4.27 2bs9H1 LEU 363 HB2 0.02 -0.03 -0.06 -0.04 1.64 1.53 2bs9H1 LEU 363 HB3 0.02 0.10 -0.12 -0.04 1.64 1.61 2bs9H1 LEU 363 HG 0.01 -0.02 -0.14 -0.04 1.64 1.45 2bs9H1 LEU 363 HD13 -0.01 0.03 -0.21 -0.04 0.93 0.69 2bs9H1 LEU 363 HD23 0.01 0.02 -0.46 -0.04 0.89 0.41 2bs9H1 TYR 364 H 0.07 0.43 0.30 -0.55 8.29 8.53 2bs9H1 TYR 364 HA -0.02 0.11 0.54 -0.75 4.56 4.43 2bs9H1 TYR 364 HB2 -0.04 0.15 -0.08 -0.04 3.06 3.05 2bs9H1 TYR 364 HB3 -0.06 -0.07 -0.05 -0.04 2.98 2.76 2bs9H1 TYR 364 HD2 -0.06 0.02 -0.18 -0.04 7.15 6.89 2bs9H1 TYR 364 HE2 -0.07 -0.04 -0.13 -0.04 6.85 6.56 2bs9H1 ARG 365 H -0.88 0.28 0.17 -0.55 8.46 7.48 2bs9H1 ARG 365 HA -0.22 0.20 0.63 -0.75 4.34 4.20 2bs9H1 ARG 365 HB2 -0.10 0.01 -0.14 -0.04 1.90 1.63 2bs9H1 ARG 365 HB3 -0.15 -0.05 0.03 -0.04 1.80 1.59 2bs9H1 ARG 365 HG2 -0.02 0.02 0.06 -0.04 1.67 1.69 2bs9H1 ARG 365 HG3 0.02 0.13 0.32 -0.04 1.67 2.10 2bs9H1 ARG 365 HD2 0.11 0.02 -0.07 -0.04 3.22 3.24 2bs9H1 ARG 365 HD3 0.07 0.02 0.03 -0.04 3.22 3.30 2bs9H1 ASP 366 H -0.16 0.49 0.30 -0.55 8.40 8.47 2bs9H1 ASP 366 HA -0.12 0.14 0.33 -0.75 4.63 4.22 2bs9H1 ASP 366 HB2 -0.05 -0.10 0.25 -0.04 2.71 2.76 2bs9H1 ASP 366 HB3 -0.16 0.17 0.12 -0.04 2.70 2.80 2bs9H1 GLY 367 H -0.04 0.16 0.16 -0.55 8.43 8.17 2bs9H1 GLY 367 HA2 0.12 0.10 0.24 -0.51 4.01 3.96 2bs9H1 GLY 367 HA3 0.02 0.01 0.37 -0.51 4.01 3.90 2bs9H1 GLU 368 H -0.29 -0.05 -0.43 -0.55 8.60 7.28 2bs9H1 GLU 368 HA -1.58 0.21 0.95 -0.75 4.29 3.11 2bs9H1 GLU 368 HB2 -0.35 -0.05 -0.01 -0.04 2.09 1.65 2bs9H1 GLU 368 HB3 -0.55 0.13 0.24 -0.04 1.99 1.76 2bs9H1 GLU 368 HG2 -0.21 0.06 0.07 -0.04 2.34 2.22 2bs9H1 GLU 368 HG3 -0.18 0.03 -0.53 -0.04 2.34 1.61 2bs9H1 MET 369 H -0.52 0.22 0.09 -0.55 8.47 7.71 2bs9H1 MET 369 HA -0.78 0.30 0.65 -0.75 4.52 3.94 2bs9H1 MET 369 HB2 -0.18 0.06 0.03 -0.04 2.15 2.03 2bs9H1 MET 369 HB3 -0.34 0.06 -0.18 -0.04 2.03 1.53 2bs9H1 MET 369 HG2 -0.04 -0.17 -0.19 -0.04 2.63 2.19 2bs9H1 MET 369 HG3 0.09 0.01 -0.39 -0.04 2.56 2.24 2bs9H1 MET 369 HE3 -0.10 -0.00 -0.18 -0.04 2.10 1.77 2bs9H1 ILE 370 H -0.05 0.60 0.33 -0.55 8.25 8.58 2bs9H1 ILE 370 HA -0.04 0.19 0.82 -0.75 4.18 4.40 2bs9H1 ILE 370 HB 0.10 0.04 0.05 -0.04 1.89 2.04 2bs9H1 ILE 370 HG12 -0.37 -0.01 -0.09 -0.04 1.49 0.97 2bs9H1 ILE 370 HG13 -0.14 0.03 0.15 -0.04 1.21 1.22 2bs9H1 ILE 370 HG23 -0.26 0.01 0.09 -0.04 0.93 0.72 2bs9H1 ILE 370 HD13 -0.46 0.01 0.04 -0.04 0.88 0.42 2bs9H1 VAL 371 H -0.02 0.78 0.39 -0.55 8.24 8.84 2bs9H1 VAL 371 HA -0.09 0.19 1.06 -0.75 4.13 4.54 2bs9H1 VAL 371 HB 0.05 -0.10 0.13 -0.04 2.12 2.16 2bs9H1 VAL 371 HG13 -0.05 0.01 -0.12 -0.04 0.97 0.77 2bs9H1 VAL 371 HG23 -0.02 -0.01 -0.22 -0.04 0.95 0.66 2bs9H1 THR 372 H -0.08 0.59 0.39 -0.55 8.28 8.63 2bs9H1 THR 372 HA -0.02 0.17 1.14 -0.75 4.39 4.93 2bs9H1 THR 372 HB -0.01 0.07 -0.04 -0.04 4.32 4.30 2bs9H1 THR 372 HG23 -0.19 0.00 -0.24 -0.04 1.22 0.75 2bs9H1 ARG 373 H 0.01 0.61 0.35 -0.55 8.46 8.88 2bs9H1 ARG 373 HA -0.01 0.25 1.04 -0.75 4.34 4.86 2bs9H1 ARG 373 HB2 0.00 0.03 0.03 -0.04 1.90 1.92 2bs9H1 ARG 373 HB3 0.01 -0.07 0.09 -0.04 1.80 1.79 2bs9H1 ARG 373 HG2 0.01 0.10 -0.03 -0.04 1.67 1.71 2bs9H1 ARG 373 HG3 -0.00 0.12 -0.06 -0.04 1.67 1.68 2bs9H1 ARG 373 HD2 0.01 -0.06 0.03 -0.04 3.22 3.16 2bs9H1 ARG 373 HD3 0.00 -0.07 0.05 -0.04 3.22 3.16 2bs9H1 ARG 374 H 0.01 0.58 0.21 -0.55 8.46 8.70 2bs9H1 ARG 374 HA 0.03 0.09 0.87 -0.75 4.34 4.58 2bs9H1 ARG 374 HB2 0.01 -0.03 0.05 -0.04 1.90 1.90 2bs9H1 ARG 374 HB3 0.02 -0.12 0.15 -0.04 1.80 1.82 2bs9H1 ARG 374 HG2 0.03 0.16 -0.12 -0.04 1.67 1.70 2bs9H1 ARG 374 HG3 0.01 -0.12 -0.26 -0.04 1.67 1.26 2bs9H1 ARG 374 HD2 -0.01 -0.05 -0.29 -0.04 3.22 2.83 2bs9H1 ARG 374 HD3 0.00 -0.12 -0.22 -0.04 3.22 2.85 2bs9H1 LYS 375 H 0.03 0.20 0.20 -0.55 8.42 8.29 2bs9H1 LYS 375 HA 0.02 0.11 0.39 -0.75 4.32 4.08 2bs9H1 LYS 375 HB2 0.03 0.00 0.21 -0.04 1.87 2.06 2bs9H1 LYS 375 HB3 0.02 0.04 0.02 -0.04 1.79 1.82 2bs9H1 LYS 375 HG2 0.03 0.05 0.07 -0.04 1.46 1.57 2bs9H1 LYS 375 HG3 0.02 0.02 0.09 -0.04 1.46 1.54 2bs9H1 LYS 375 HD2 0.04 -0.15 0.10 -0.04 1.69 1.64 2bs9H1 LYS 375 HD3 0.04 0.06 0.08 -0.04 1.68 1.83 2bs9H1 LYS 375 HE2 0.03 0.01 0.04 -0.04 2.99 3.03 2bs9H1 LYS 375 HE3 0.03 0.01 -0.00 -0.04 2.99 2.98 2bs9H1 ASP 376 H 0.02 0.06 -0.11 -0.55 8.40 7.82 2bs9H1 ASP 376 HA 0.01 0.19 0.51 -0.75 4.63 4.59 2bs9H1 ASP 376 HB2 0.01 0.02 0.20 -0.04 2.71 2.90 2bs9H1 ASP 376 HB3 0.01 0.03 0.10 -0.04 2.70 2.80 2bs9H1 GLY 377 H 0.01 0.48 -0.44 -0.55 8.43 7.93 2bs9H1 GLY 377 HA2 0.01 0.07 0.36 -0.51 4.01 3.94 2bs9H1 GLY 377 HA3 0.00 0.09 0.79 -0.51 4.01 4.39 2bs9H1 SER 378 H 0.01 -0.06 -0.32 -0.55 8.46 7.54 2bs9H1 SER 378 HA -0.00 0.15 0.52 -0.75 4.49 4.40 2bs9H1 SER 378 HB2 0.01 0.16 0.12 -0.04 3.95 4.20 2bs9H1 SER 378 HB3 0.01 -0.09 0.10 -0.04 3.93 3.91 2bs9H1 ILE 379 H -0.02 0.51 0.41 -0.55 8.25 8.60 2bs9H1 ILE 379 HA -0.03 0.27 1.09 -0.75 4.18 4.76 2bs9H1 ILE 379 HB -0.05 -0.11 0.18 -0.04 1.89 1.88 2bs9H1 ILE 379 HG12 -0.02 -0.02 0.05 -0.04 1.49 1.45 2bs9H1 ILE 379 HG13 -0.04 -0.01 0.01 -0.04 1.21 1.13 2bs9H1 ILE 379 HG23 -0.06 0.02 -0.11 -0.04 0.93 0.74 2bs9H1 ILE 379 HD13 -0.02 0.02 -0.03 -0.04 0.88 0.81 2bs9H1 ALA 380 H -0.05 0.59 0.36 -0.55 8.40 8.76 2bs9H1 ALA 380 HA -0.09 0.31 1.05 -0.75 4.34 4.86 2bs9H1 ALA 380 HB3 -0.07 -0.03 -0.03 -0.04 1.41 1.24 2bs9H1 ALA 381 H -0.13 0.69 0.39 -0.55 8.40 8.81 2bs9H1 ALA 381 HA -0.15 0.30 1.18 -0.75 4.34 4.91 2bs9H1 ALA 381 HB3 -0.10 -0.04 0.03 -0.04 1.41 1.26 2bs9H1 VAL 382 H -0.19 0.50 0.38 -0.55 8.24 8.38 2bs9H1 VAL 382 HA -0.07 0.37 1.17 -0.75 4.13 4.85 2bs9H1 VAL 382 HB -0.49 -0.03 0.13 -0.04 2.12 1.68 2bs9H1 VAL 382 HG13 0.20 -0.01 -0.15 -0.04 0.97 0.97 2bs9H1 VAL 382 HG23 -0.36 -0.01 -0.22 -0.04 0.95 0.31 2bs9H1 LEU 383 H 0.08 0.58 0.35 -0.55 8.37 8.84 2bs9H1 LEU 383 HA -0.26 0.27 1.07 -0.75 4.35 4.67 2bs9H1 LEU 383 HB2 -0.04 -0.06 -0.03 -0.04 1.64 1.47 2bs9H1 LEU 383 HB3 -0.18 0.06 0.06 -0.04 1.64 1.54 2bs9H1 LEU 383 HG -0.14 0.02 -0.27 -0.04 1.64 1.21 2bs9H1 LEU 383 HD13 -0.08 -0.02 -0.26 -0.04 0.93 0.53 2bs9H1 LEU 383 HD23 -0.12 -0.01 -0.17 -0.04 0.89 0.56 2bs9H1 TRP 384 H -0.60 0.66 0.34 -0.55 7.97 7.82 2bs9H1 TRP 384 HA 0.05 0.33 0.88 -0.75 4.62 5.13 2bs9H1 TRP 384 HB2 0.06 -0.07 0.07 -0.04 3.23 3.24 2bs9H1 TRP 384 HB3 0.08 0.02 -0.03 -0.04 3.23 3.26 2bs9H1 TRP 384 HD1 0.01 -0.19 -0.04 -0.04 7.22 6.96 2bs9H1 TRP 384 HE1 -0.02 0.16 0.15 -0.04 10.20 10.45 2bs9H1 TRP 384 HE3 0.05 -0.06 -0.59 -0.04 7.59 6.95 2bs9H1 TRP 384 HZ2 0.01 0.03 -0.22 -0.04 7.44 7.22 2bs9H1 TRP 384 HZ3 -0.04 0.12 -0.22 -0.04 7.13 6.95 2bs9H1 TRP 384 HH2 0.04 0.08 -0.26 -0.04 7.19 7.01 2bs9H1 ASN 385 H 0.21 0.56 0.14 -0.55 8.53 8.90 2bs9H1 ASN 385 HA 0.03 0.19 0.85 -0.75 4.76 5.08 2bs9H1 ASN 385 HB2 0.02 0.02 -0.03 -0.04 2.88 2.86 2bs9H1 ASN 385 HB3 0.08 -0.02 0.23 -0.04 2.79 3.04 2bs9H1 ASN 385 HD21 0.03 0.26 0.04 -0.04 7.03 7.32 2bs9H1 ASN 385 HD22 0.04 0.23 -0.27 -0.04 7.74 7.70 2bs9H1 LEU 386 H 0.29 0.25 -0.09 -0.55 8.37 8.27 2bs9H1 LEU 386 HA 0.15 -0.01 0.52 -0.75 4.35 4.26 2bs9H1 LEU 386 HB2 0.19 0.12 -0.10 -0.04 1.64 1.81 2bs9H1 LEU 386 HB3 0.18 0.04 0.12 -0.04 1.64 1.94 2bs9H1 LEU 386 HG 0.08 -0.07 -0.42 -0.04 1.64 1.20 2bs9H1 LEU 386 HD13 0.15 -0.02 -0.11 -0.04 0.93 0.91 2bs9H1 LEU 386 HD23 -0.06 0.00 0.00 -0.04 0.89 0.79 2bs9H1 VAL 387 H 0.09 0.18 0.17 -0.55 8.24 8.14 2bs9H1 VAL 387 HA 0.06 0.10 0.87 -0.75 4.13 4.41 2bs9H1 VAL 387 HB 0.06 -0.05 0.19 -0.04 2.12 2.27 2bs9H1 VAL 387 HG13 0.04 0.03 -0.05 -0.04 0.97 0.95 2bs9H1 VAL 387 HG23 0.05 0.11 -0.22 -0.04 0.95 0.84 2bs9H1 MET 388 H 0.05 0.17 0.09 -0.55 8.47 8.24 2bs9H1 MET 388 HA 0.07 0.11 0.54 -0.75 4.52 4.49 2bs9H1 MET 388 HB2 0.06 0.01 0.04 -0.04 2.15 2.22 2bs9H1 MET 388 HB3 0.07 0.01 0.08 -0.04 2.03 2.15 2bs9H1 MET 388 HG2 0.14 0.00 -0.09 -0.04 2.63 2.63 2bs9H1 MET 388 HG3 0.08 -0.01 -0.08 -0.04 2.56 2.51 2bs9H1 MET 388 HE3 0.16 0.02 -0.20 -0.04 2.10 2.04 2bs9H1 GLU 389 H 0.04 0.01 -0.14 -0.55 8.60 7.96 2bs9H1 GLU 389 HA 0.02 0.07 0.54 -0.75 4.29 4.17 2bs9H1 GLU 389 HB2 0.02 0.23 0.05 -0.04 2.09 2.35 2bs9H1 GLU 389 HB3 0.02 -0.04 0.09 -0.04 1.99 2.02 2bs9H1 GLU 389 HG2 0.03 0.01 0.03 -0.04 2.34 2.36 2bs9H1 GLU 389 HG3 0.02 0.04 0.02 -0.04 2.34 2.38 2bs9H1 LYS 390 H 0.01 0.04 0.16 -0.55 8.42 8.08 2bs9H1 LYS 390 HA 0.02 0.10 0.59 -0.75 4.32 4.28 2bs9H1 LYS 390 HB2 0.00 -0.01 0.08 -0.04 1.87 1.90 2bs9H1 LYS 390 HB3 0.01 -0.04 0.09 -0.04 1.79 1.80 2bs9H1 LYS 390 HG2 0.01 0.04 0.02 -0.04 1.46 1.49 2bs9H1 LYS 390 HG3 0.00 -0.00 0.07 -0.04 1.46 1.49 2bs9H1 LYS 390 HD2 -0.01 -0.00 0.02 -0.04 1.69 1.65 2bs9H1 LYS 390 HD3 -0.00 -0.01 0.02 -0.04 1.68 1.64 2bs9H1 LYS 390 HE2 -0.03 0.00 0.01 -0.04 2.99 2.93 2bs9H1 LYS 390 HE3 -0.03 -0.00 -0.00 -0.04 2.99 2.91 2bs9H1 GLY 391 H 0.02 0.05 0.04 -0.55 8.43 7.98 2bs9H1 GLY 391 HA2 0.01 -0.09 0.33 -0.51 4.01 3.74 2bs9H1 GLY 391 HA3 0.01 0.23 0.72 -0.51 4.01 4.46 2bs9H1 GLU 392 H 0.01 0.05 0.12 -0.55 8.60 8.24 2bs9H1 GLU 392 HA 0.02 0.15 0.57 -0.75 4.29 4.28 2bs9H1 GLU 392 HB2 0.00 -0.03 0.14 -0.04 2.09 2.16 2bs9H1 GLU 392 HB3 0.00 0.03 0.03 -0.04 1.99 2.01 2bs9H1 GLU 392 HG2 0.00 0.02 0.06 -0.04 2.34 2.37 2bs9H1 GLU 392 HG3 0.01 0.02 0.12 -0.04 2.34 2.44 2bs9H1 GLY 393 H 0.01 0.09 0.13 -0.55 8.43 8.12 2bs9H1 GLY 393 HA2 0.01 0.00 0.32 -0.51 4.01 3.84 2bs9H1 GLY 393 HA3 0.01 0.09 0.72 -0.51 4.01 4.33 2bs9H1 LEU 394 H 0.01 0.13 0.11 -0.55 8.37 8.06 2bs9H1 LEU 394 HA 0.01 0.03 0.29 -0.75 4.35 3.93 2bs9H1 LEU 394 HB2 0.02 0.10 -0.34 -0.04 1.64 1.39 2bs9H1 LEU 394 HB3 0.02 -0.03 0.07 -0.04 1.64 1.67 2bs9H1 LEU 394 HG 0.01 0.05 -0.29 -0.04 1.64 1.38 2bs9H1 LEU 394 HD13 0.02 0.06 -0.18 -0.04 0.93 0.78 2bs9H1 LEU 394 HD23 0.01 -0.02 -0.01 -0.04 0.89 0.83 2bs9H1 THR 395 H 0.01 -0.00 -0.08 -0.55 8.28 7.66 2bs9H1 THR 395 HA 0.02 0.21 0.73 -0.75 4.39 4.59 2bs9H1 THR 395 HB 0.02 0.27 0.00 -0.04 4.32 4.57 2bs9H1 THR 395 HG23 0.02 -0.05 -0.17 -0.04 1.22 0.97 2bs9H1 LYS 396 H 0.01 0.43 0.23 -0.55 8.42 8.54 2bs9H1 LYS 396 HA -0.01 0.12 0.92 -0.75 4.32 4.60 2bs9H1 LYS 396 HB2 -0.01 -0.02 0.01 -0.04 1.87 1.80 2bs9H1 LYS 396 HB3 -0.03 -0.03 0.04 -0.04 1.79 1.73 2bs9H1 LYS 396 HG2 -0.05 0.08 -0.09 -0.04 1.46 1.35 2bs9H1 LYS 396 HG3 -0.03 0.01 0.11 -0.04 1.46 1.50 2bs9H1 LYS 396 HD2 -0.04 -0.02 -0.00 -0.04 1.69 1.58 2bs9H1 LYS 396 HD3 -0.05 -0.00 -0.00 -0.04 1.68 1.58 2bs9H1 LYS 396 HE2 -0.02 0.01 0.01 -0.04 2.99 2.95 2bs9H1 LYS 396 HE3 -0.01 0.00 -0.07 -0.04 2.99 2.87 2bs9H1 GLU 397 H -0.02 0.15 0.15 -0.55 8.60 8.33 2bs9H1 GLU 397 HA -0.02 0.27 0.92 -0.75 4.29 4.71 2bs9H1 GLU 397 HB2 -0.01 -0.04 0.02 -0.04 2.09 2.02 2bs9H1 GLU 397 HB3 -0.02 -0.03 0.11 -0.04 1.99 2.01 2bs9H1 GLU 397 HG2 -0.02 -0.03 -0.08 -0.04 2.34 2.17 2bs9H1 GLU 397 HG3 -0.03 0.08 -0.37 -0.04 2.34 1.99 2bs9H1 VAL 398 H -0.04 0.46 0.24 -0.55 8.24 8.35 2bs9H1 VAL 398 HA -0.06 0.24 0.83 -0.75 4.13 4.38 2bs9H1 VAL 398 HB -0.07 -0.05 -0.01 -0.04 2.12 1.95 2bs9H1 VAL 398 HG13 -0.10 -0.00 -0.24 -0.04 0.97 0.59 2bs9H1 VAL 398 HG23 -0.08 0.00 -0.40 -0.04 0.95 0.44 2bs9H1 GLN 399 H -0.06 0.48 0.23 -0.55 8.47 8.58 2bs9H1 GLN 399 HA -0.04 0.18 0.90 -0.75 4.36 4.65 2bs9H1 GLN 399 HB2 -0.04 -0.02 0.20 -0.04 2.15 2.25 2bs9H1 GLN 399 HB3 -0.00 -0.01 -0.05 -0.04 2.02 1.92 2bs9H1 GLN 399 HG2 -0.03 -0.06 -0.14 -0.04 2.40 2.13 2bs9H1 GLN 399 HG3 -0.02 0.01 -0.10 -0.04 2.39 2.24 2bs9H1 GLN 399 HE21 -0.01 -0.02 -0.08 -0.04 6.97 6.82 2bs9H1 GLN 399 HE22 -0.01 0.01 -0.10 -0.04 7.69 7.55 2bs9H1 LEU 400 H -0.07 0.70 0.31 -0.55 8.37 8.76 2bs9H1 LEU 400 HA -0.15 0.21 1.03 -0.75 4.35 4.68 2bs9H1 LEU 400 HB2 -0.11 0.06 0.06 -0.04 1.64 1.62 2bs9H1 LEU 400 HB3 -0.13 -0.04 -0.09 -0.04 1.64 1.34 2bs9H1 LEU 400 HG -0.18 0.06 -0.03 -0.04 1.64 1.44 2bs9H1 LEU 400 HD13 -0.14 0.02 -0.31 -0.04 0.93 0.47 2bs9H1 LEU 400 HD23 -0.12 -0.01 -0.14 -0.04 0.89 0.59 2bs9H1 VAL 401 H -0.19 0.70 0.26 -0.55 8.24 8.47 2bs9H1 VAL 401 HA -0.47 0.25 0.96 -0.75 4.13 4.11 2bs9H1 VAL 401 HB -0.18 -0.05 0.15 -0.04 2.12 2.01 2bs9H1 VAL 401 HG13 -0.38 -0.00 -0.15 -0.04 0.97 0.39 2bs9H1 VAL 401 HG23 -0.16 -0.01 -0.24 -0.04 0.95 0.49 2bs9H1 ILE 402 H -0.21 0.61 0.24 -0.55 8.25 8.34 2bs9H1 ILE 402 HA -0.11 0.27 0.90 -0.75 4.18 4.48 2bs9H1 ILE 402 HB -0.09 -0.09 0.02 -0.04 1.89 1.68 2bs9H1 ILE 402 HG12 -0.12 0.05 -0.25 -0.04 1.49 1.12 2bs9H1 ILE 402 HG13 -0.14 -0.06 -0.35 -0.04 1.21 0.61 2bs9H1 ILE 402 HG23 -0.07 0.06 -0.07 -0.04 0.93 0.81 2bs9H1 ILE 402 HD13 -0.10 -0.01 -0.14 -0.04 0.88 0.60 2bs9H1 PRO 403 HA -0.05 0.18 0.83 -0.51 4.44 4.90 2bs9H1 PRO 403 HB2 -0.03 -0.02 0.00 -0.04 2.28 2.19 2bs9H1 PRO 403 HB3 -0.04 -0.00 0.08 -0.04 2.02 2.02 2bs9H1 PRO 403 HG2 -0.03 0.02 -0.04 -0.04 2.03 1.94 2bs9H1 PRO 403 HG3 -0.04 0.05 -0.08 -0.04 2.03 1.92 2bs9H1 PRO 403 HD2 -0.06 0.05 0.18 -0.04 3.68 3.81 2bs9H1 PRO 403 HD3 -0.08 0.35 0.25 -0.04 3.65 4.13 2bs9H1 VAL 404 H -0.02 0.58 0.22 -0.55 8.24 8.47 2bs9H1 VAL 404 HA -0.02 0.19 0.56 -0.75 4.13 4.11 2bs9H1 VAL 404 HB -0.01 -0.19 -0.13 -0.04 2.12 1.76 2bs9H1 VAL 404 HG13 -0.02 0.08 -0.09 -0.04 0.97 0.89 2bs9H1 VAL 404 HG23 -0.02 0.00 -0.34 -0.04 0.95 0.54 2bs9H1 SER 405 H -0.01 0.25 0.11 -0.55 8.46 8.27 2bs9H1 SER 405 HA -0.00 0.14 0.63 -0.75 4.49 4.51 2bs9H1 SER 405 HB2 -0.00 -0.00 0.21 -0.04 3.95 4.11 2bs9H1 SER 405 HB3 -0.00 0.04 0.10 -0.04 3.93 4.02 2bs9H1 GLU 406 H -0.00 0.13 -0.60 -0.55 8.60 7.57 2bs9H1 GLU 406 HA 0.00 0.25 0.52 -0.75 4.29 4.30 2bs9H1 GLU 406 HB2 0.00 0.02 -0.03 -0.04 2.09 2.04 2bs9H1 GLU 406 HB3 0.01 0.01 0.18 -0.04 1.99 2.15 2bs9H1 GLU 406 HG2 0.00 0.07 -0.09 -0.04 2.34 2.28 2bs9H1 GLU 406 HG3 0.00 -0.17 -0.33 -0.04 2.34 1.80 2bs9H1 SER 407 H 0.00 0.15 -0.08 -0.55 8.46 7.98 2bs9H1 SER 407 HA 0.00 -0.03 0.42 -0.75 4.49 4.13 2bs9H1 SER 407 HB2 0.01 0.03 -0.09 -0.04 3.95 3.85 2bs9H1 SER 407 HB3 0.00 -0.01 0.07 -0.04 3.93 3.95 2bs9H1 ALA 408 H 0.01 0.70 0.72 -0.55 8.40 9.28 2bs9H1 ALA 408 HA 0.01 0.06 0.56 -0.75 4.34 4.21 2bs9H1 ALA 408 HB3 0.02 -0.01 0.11 -0.04 1.41 1.49 2bs9H1 VAL 409 H 0.02 0.54 0.31 -0.55 8.24 8.56 2bs9H1 VAL 409 HA 0.05 0.23 1.08 -0.75 4.13 4.73 2bs9H1 VAL 409 HB -0.00 -0.00 -0.13 -0.04 2.12 1.95 2bs9H1 VAL 409 HG13 -0.02 -0.01 -0.28 -0.04 0.97 0.61 2bs9H1 VAL 409 HG23 0.00 0.04 -0.29 -0.04 0.95 0.66 2bs9H1 PHE 410 H 0.15 0.67 0.26 -0.55 8.34 8.87 2bs9H1 PHE 410 HA -0.03 0.20 1.01 -0.75 4.62 5.05 2bs9H1 PHE 410 HB2 -0.02 -0.07 0.01 -0.04 3.15 3.03 2bs9H1 PHE 410 HB3 -0.02 0.02 0.08 -0.04 3.06 3.10 2bs9H1 PHE 410 HD2 -0.03 -0.05 -0.10 -0.04 7.28 7.06 2bs9H1 PHE 410 HE2 -0.03 -0.02 -0.11 -0.04 7.38 7.18 2bs9H1 PHE 410 HZ -0.04 -0.01 -0.07 -0.04 7.32 7.16 2bs9H1 ILE 411 H -0.46 0.59 0.32 -0.55 8.25 8.15 2bs9H1 ILE 411 HA -0.23 0.34 0.99 -0.75 4.18 4.52 2bs9H1 ILE 411 HB -0.23 -0.07 0.13 -0.04 1.89 1.68 2bs9H1 ILE 411 HG12 -0.11 0.05 -0.14 -0.04 1.49 1.24 2bs9H1 ILE 411 HG13 -0.11 -0.10 -0.35 -0.04 1.21 0.61 2bs9H1 ILE 411 HG23 -0.17 0.01 -0.18 -0.04 0.93 0.55 2bs9H1 ILE 411 HD13 -0.08 -0.01 -0.17 -0.04 0.88 0.57 2bs9H1 LYS 412 H -0.24 0.71 0.38 -0.55 8.42 8.73 2bs9H1 LYS 412 HA -0.32 0.15 1.03 -0.75 4.32 4.42 2bs9H1 LYS 412 HB2 -0.08 -0.03 -0.01 -0.04 1.87 1.71 2bs9H1 LYS 412 HB3 -0.08 -0.03 0.20 -0.04 1.79 1.84 2bs9H1 LYS 412 HG2 -0.11 0.05 -0.27 -0.04 1.46 1.09 2bs9H1 LYS 412 HG3 -0.05 -0.03 -0.02 -0.04 1.46 1.32 2bs9H1 LYS 412 HD2 0.09 -0.03 -0.04 -0.04 1.69 1.67 2bs9H1 LYS 412 HD3 -0.01 0.01 -0.06 -0.04 1.68 1.58 2bs9H1 LYS 412 HE2 -0.03 0.02 -0.12 -0.04 2.99 2.82 2bs9H1 LYS 412 HE3 0.04 -0.03 -0.07 -0.04 2.99 2.89 2bs9H1 ARG 413 H -0.20 0.59 0.32 -0.55 8.46 8.62 2bs9H1 ARG 413 HA -0.19 0.45 1.22 -0.75 4.34 5.06 2bs9H1 ARG 413 HB2 -0.15 -0.07 0.01 -0.04 1.90 1.65 2bs9H1 ARG 413 HB3 -0.16 -0.00 0.19 -0.04 1.80 1.79 2bs9H1 ARG 413 HG2 -0.12 -0.03 -0.31 -0.04 1.67 1.17 2bs9H1 ARG 413 HG3 -0.13 0.10 -0.07 -0.04 1.67 1.53 2bs9H1 ARG 413 HD2 -0.09 -0.02 -0.11 -0.04 3.22 2.96 2bs9H1 ARG 413 HD3 -0.08 -0.04 -0.08 -0.04 3.22 2.97 2bs9H1 GLN 414 H -0.29 0.54 0.38 -0.55 8.47 8.54 2bs9H1 GLN 414 HA -0.15 0.35 0.99 -0.75 4.36 4.80 2bs9H1 GLN 414 HB2 -0.59 -0.05 0.12 -0.04 2.15 1.59 2bs9H1 GLN 414 HB3 -0.04 0.01 -0.05 -0.04 2.02 1.90 2bs9H1 GLN 414 HG2 -0.09 0.01 -0.16 -0.04 2.40 2.11 2bs9H1 GLN 414 HG3 -0.18 -0.04 -0.26 -0.04 2.39 1.87 2bs9H1 GLN 414 HE21 0.02 0.06 -0.06 -0.04 6.97 6.94 2bs9H1 GLN 414 HE22 -0.15 -0.01 -0.08 -0.04 7.69 7.41 2bs9H1 ILE 415 H 0.01 0.68 0.32 -0.55 8.25 8.71 2bs9H1 ILE 415 HA 0.15 0.24 1.08 -0.75 4.18 4.90 2bs9H1 ILE 415 HB 0.17 -0.03 0.11 -0.04 1.89 2.09 2bs9H1 ILE 415 HG12 0.06 0.02 -0.13 -0.04 1.49 1.40 2bs9H1 ILE 415 HG13 -0.03 -0.02 -0.42 -0.04 1.21 0.70 2bs9H1 ILE 415 HG23 0.22 -0.03 -0.19 -0.04 0.93 0.89 2bs9H1 ILE 415 HD13 0.09 -0.01 -0.10 -0.04 0.88 0.81 2bs9H1 VAL 416 H 0.30 0.70 0.39 -0.55 8.24 9.08 2bs9H1 VAL 416 HA 0.21 0.20 0.63 -0.75 4.13 4.42 2bs9H1 VAL 416 HB 0.20 0.07 0.16 -0.04 2.12 2.51 2bs9H1 VAL 416 HG13 0.10 -0.01 -0.06 -0.04 0.97 0.97 2bs9H1 VAL 416 HG23 0.20 0.00 0.13 -0.04 0.95 1.24 2bs9H1 ASN 417 H 0.18 0.61 0.23 -0.55 8.53 9.00 2bs9H1 ASN 417 HA 0.13 0.27 0.54 -0.75 4.76 4.94 2bs9H1 ASN 417 HB2 0.09 -0.02 0.07 -0.04 2.88 2.99 2bs9H1 ASN 417 HB3 0.14 0.12 -0.10 -0.04 2.79 2.91 2bs9H1 ASN 417 HD21 0.21 0.05 -0.05 -0.04 7.03 7.20 2bs9H1 ASN 417 HD22 0.14 -0.00 -0.05 -0.04 7.74 7.78 2bs9H1 GLU 418 H 0.07 0.28 0.12 -0.55 8.60 8.53 2bs9H1 GLU 418 HA 0.10 0.02 0.51 -0.75 4.29 4.17 2bs9H1 GLU 418 HB2 0.03 -0.03 0.11 -0.04 2.09 2.16 2bs9H1 GLU 418 HB3 0.06 -0.00 0.09 -0.04 1.99 2.09 2bs9H1 GLU 418 HG2 0.07 0.27 0.11 -0.04 2.34 2.74 2bs9H1 GLU 418 HG3 0.06 -0.00 0.05 -0.04 2.34 2.41 2bs9H1 GLN 419 H -0.05 -0.02 -0.17 -0.55 8.47 7.67 2bs9H1 GLN 419 HA -0.15 0.18 0.76 -0.75 4.36 4.40 2bs9H1 GLN 419 HB2 -0.29 -0.08 0.08 -0.04 2.15 1.82 2bs9H1 GLN 419 HB3 -1.03 0.06 -0.05 -0.04 2.02 0.96 2bs9H1 GLN 419 HG2 -0.34 0.02 0.01 -0.04 2.40 2.04 2bs9H1 GLN 419 HG3 -0.24 0.05 0.07 -0.04 2.39 2.23 2bs9H1 GLN 419 HE21 -0.06 -0.03 -0.01 -0.04 6.97 6.84 2bs9H1 GLN 419 HE22 -0.10 0.03 -0.00 -0.04 7.69 7.57 2bs9H1 TYR 420 H 0.04 -0.05 -0.08 -0.55 8.29 7.65 2bs9H1 TYR 420 HA 0.04 0.24 0.82 -0.75 4.56 4.92 2bs9H1 TYR 420 HB2 0.09 -0.09 -0.01 -0.04 3.06 3.02 2bs9H1 TYR 420 HB3 0.10 0.12 0.09 -0.04 2.98 3.25 2bs9H1 TYR 420 HD2 0.00 0.04 -0.03 -0.04 7.15 7.12 2bs9H1 TYR 420 HE2 -0.14 0.01 -0.03 -0.04 6.85 6.65 2bs9H1 GLY 421 H 0.22 0.34 0.22 -0.55 8.43 8.66 2bs9H1 GLY 421 HA2 0.14 0.25 0.05 -0.51 4.01 3.94 2bs9H1 GLY 421 HA3 0.11 -0.04 0.32 -0.51 4.01 3.89 2bs9H1 ASN 422 H 0.15 0.22 -0.32 -0.55 8.53 8.03 2bs9H1 ASN 422 HA 0.13 0.12 0.80 -0.75 4.76 5.05 2bs9H1 ASN 422 HB2 0.13 0.32 -0.23 -0.04 2.88 3.06 2bs9H1 ASN 422 HB3 0.11 0.04 -0.15 -0.04 2.79 2.75 2bs9H1 ASN 422 HD21 0.30 -0.18 0.10 -0.04 7.03 7.21 2bs9H1 ASN 422 HD22 0.14 0.22 0.14 -0.04 7.74 8.19 2bs9H1 ALA 423 H 0.12 0.36 0.06 -0.55 8.40 8.40 2bs9H1 ALA 423 HA 0.16 0.07 0.42 -0.75 4.34 4.23 2bs9H1 ALA 423 HB3 0.30 0.07 0.04 -0.04 1.41 1.78 2bs9H1 TRP 424 H -0.08 0.17 -0.15 -0.55 7.97 7.37 2bs9H1 TRP 424 HA -0.56 0.03 0.41 -0.75 4.62 3.75 2bs9H1 TRP 424 HB2 -0.74 0.14 0.16 -0.04 3.23 2.75 2bs9H1 TRP 424 HB3 -0.22 -0.04 0.12 -0.04 3.23 3.05 2bs9H1 TRP 424 HD1 -0.41 -0.03 0.01 -0.04 7.22 6.74 2bs9H1 TRP 424 HE1 0.17 0.00 -0.06 -0.04 10.20 10.27 2bs9H1 TRP 424 HE3 -0.04 -0.00 -0.02 -0.04 7.59 7.48 2bs9H1 TRP 424 HZ2 0.06 -0.01 -0.07 -0.04 7.44 7.37 2bs9H1 TRP 424 HZ3 -0.00 -0.00 -0.01 -0.04 7.13 7.08 2bs9H1 TRP 424 HH2 0.01 -0.00 -0.05 -0.04 7.19 7.11 2bs9H1 ARG 425 H 0.20 0.19 -0.16 -0.55 8.46 8.14 2bs9H1 ARG 425 HA -0.25 -0.02 0.37 -0.75 4.34 3.68 2bs9H1 ARG 425 HB2 0.08 0.01 0.18 -0.04 1.90 2.14 2bs9H1 ARG 425 HB3 0.04 0.19 0.15 -0.04 1.80 2.14 2bs9H1 ARG 425 HG2 -0.05 -0.05 -0.16 -0.04 1.67 1.37 2bs9H1 ARG 425 HG3 -0.07 -0.10 0.08 -0.04 1.67 1.54 2bs9H1 ARG 425 HD2 -0.03 0.00 0.08 -0.04 3.22 3.23 2bs9H1 ARG 425 HD3 -0.03 0.18 0.18 -0.04 3.22 3.50 2bs9H1 VAL 426 H 0.08 0.30 -0.27 -0.55 8.24 7.79 2bs9H1 VAL 426 HA 0.00 0.02 0.42 -0.75 4.13 3.82 2bs9H1 VAL 426 HB 0.13 0.07 0.09 -0.04 2.12 2.37 2bs9H1 VAL 426 HG13 0.06 -0.01 -0.05 -0.04 0.97 0.94 2bs9H1 VAL 426 HG23 0.05 0.04 0.02 -0.04 0.95 1.02 2bs9H1 TRP 427 H 0.30 0.69 -0.01 -0.55 7.97 8.40 2bs9H1 TRP 427 HA 0.05 0.01 0.48 -0.75 4.62 4.41 2bs9H1 TRP 427 HB2 0.36 0.02 0.09 -0.04 3.23 3.65 2bs9H1 TRP 427 HB3 0.05 0.18 0.23 -0.04 3.23 3.65 2bs9H1 TRP 427 HD1 0.09 -0.00 0.01 -0.04 7.22 7.28 2bs9H1 TRP 427 HE1 0.02 0.56 -0.12 -0.04 10.20 10.62 2bs9H1 TRP 427 HE3 -0.28 0.11 0.01 -0.04 7.59 7.39 2bs9H1 TRP 427 HZ2 0.08 0.03 -0.12 -0.04 7.44 7.38 2bs9H1 TRP 427 HZ3 0.12 -0.04 -0.03 -0.04 7.13 7.14 2bs9H1 TRP 427 HH2 0.23 0.02 -0.01 -0.04 7.19 7.39 2bs9H1 LYS 428 H -0.10 0.52 -0.22 -0.55 8.42 8.07 2bs9H1 LYS 428 HA -0.64 -0.03 0.48 -0.75 4.32 3.37 2bs9H1 LYS 428 HB2 -0.35 0.26 0.22 -0.04 1.87 1.96 2bs9H1 LYS 428 HB3 -0.33 -0.03 0.02 -0.04 1.79 1.41 2bs9H1 LYS 428 HG2 -0.45 -0.04 0.02 -0.04 1.46 0.95 2bs9H1 LYS 428 HG3 -0.53 -0.03 0.01 -0.04 1.46 0.88 2bs9H1 LYS 428 HD2 -1.54 -0.06 -0.06 -0.04 1.69 -0.01 2bs9H1 LYS 428 HD3 -1.13 0.06 -0.10 -0.04 1.68 0.46 2bs9H1 LYS 428 HE2 -0.40 0.05 0.02 -0.04 2.99 2.62 2bs9H1 LYS 428 HE3 -0.40 -0.03 -0.02 -0.04 2.99 2.51 2bs9H1 GLN 429 H -0.14 0.44 0.01 -0.55 8.47 8.24 2bs9H1 GLN 429 HA -0.12 0.00 0.41 -0.75 4.36 3.89 2bs9H1 GLN 429 HB2 -0.05 0.15 0.13 -0.04 2.15 2.34 2bs9H1 GLN 429 HB3 -0.06 -0.04 0.09 -0.04 2.02 1.96 2bs9H1 GLN 429 HG2 -0.08 -0.06 0.06 -0.04 2.40 2.29 2bs9H1 GLN 429 HG3 -0.09 0.21 0.13 -0.04 2.39 2.59 2bs9H1 GLN 429 HE21 -0.04 -0.00 -0.01 -0.04 6.97 6.88 2bs9H1 GLN 429 HE22 -0.06 -0.03 -0.01 -0.04 7.69 7.56 2bs9H1 MET 430 H -0.11 0.34 -0.48 -0.55 8.47 7.67 2bs9H1 MET 430 HA -0.06 0.07 0.70 -0.75 4.52 4.48 2bs9H1 MET 430 HB2 -0.07 0.13 0.13 -0.04 2.15 2.31 2bs9H1 MET 430 HB3 -0.04 -0.11 0.13 -0.04 2.03 1.97 2bs9H1 MET 430 HG2 0.01 -0.06 0.04 -0.04 2.63 2.58 2bs9H1 MET 430 HG3 0.02 0.16 0.00 -0.04 2.56 2.69 2bs9H1 MET 430 HE3 0.06 0.01 -0.00 -0.04 2.10 2.13 2bs9H1 GLY 431 H -0.24 0.59 -0.27 -0.55 8.43 7.96 2bs9H1 GLY 431 HA2 -0.21 0.01 0.28 -0.51 4.01 3.58 2bs9H1 GLY 431 HA3 -0.16 0.05 0.60 -0.51 4.01 3.99 2bs9H1 ARG 432 H -0.66 0.37 0.17 -0.55 8.46 7.79 2bs9H1 ARG 432 HA -2.15 0.04 0.19 -0.75 4.34 1.66 2bs9H1 ARG 432 HB2 -0.45 0.09 0.02 -0.04 1.90 1.52 2bs9H1 ARG 432 HB3 -0.95 -0.05 0.08 -0.04 1.80 0.83 2bs9H1 ARG 432 HG2 -1.33 -0.02 -0.03 -0.04 1.67 0.25 2bs9H1 ARG 432 HG3 -0.56 0.01 -0.12 -0.04 1.67 0.96 2bs9H1 ARG 432 HD2 -0.22 -0.00 -0.05 -0.04 3.22 2.91 2bs9H1 ARG 432 HD3 -0.34 -0.01 -0.03 -0.04 3.22 2.81 2bs9H1 PRO 433 HA -0.04 0.04 0.48 -0.51 4.44 4.42 2bs9H1 PRO 433 HB2 0.09 -0.10 -0.15 -0.04 2.28 2.08 2bs9H1 PRO 433 HB3 0.01 0.07 0.01 -0.04 2.02 2.07 2bs9H1 PRO 433 HG2 0.28 -0.03 0.04 -0.04 2.03 2.27 2bs9H1 PRO 433 HG3 0.06 0.02 0.01 -0.04 2.03 2.07 2bs9H1 PRO 433 HD2 -0.47 0.19 0.04 -0.04 3.68 3.40 2bs9H1 PRO 433 HD3 -0.18 0.32 -0.51 -0.04 3.65 3.23 2bs9H1 ARG 434 H -0.12 0.16 0.19 -0.55 8.46 8.14 2bs9H1 ARG 434 HA -0.05 -0.03 0.52 -0.75 4.34 4.02 2bs9H1 ARG 434 HB2 -0.89 -0.08 0.18 -0.04 1.90 1.07 2bs9H1 ARG 434 HB3 -1.89 0.14 0.07 -0.04 1.80 0.08 2bs9H1 ARG 434 HG2 -0.14 -0.03 0.10 -0.04 1.67 1.55 2bs9H1 ARG 434 HG3 -0.14 0.05 0.13 -0.04 1.67 1.67 2bs9H1 ARG 434 HD2 -0.11 -0.06 0.07 -0.04 3.22 3.08 2bs9H1 ARG 434 HD3 -0.21 0.22 0.12 -0.04 3.22 3.30 2bs9H1 PHE 435 H -0.07 0.06 -0.23 -0.55 8.34 7.55 2bs9H1 PHE 435 HA 0.07 0.18 0.69 -0.75 4.62 4.80 2bs9H1 PHE 435 HB2 0.04 -0.04 0.15 -0.04 3.15 3.26 2bs9H1 PHE 435 HB3 0.04 0.03 0.03 -0.04 3.06 3.12 2bs9H1 PHE 435 HD2 0.03 0.01 -0.10 -0.04 7.28 7.19 2bs9H1 PHE 435 HE2 0.02 0.03 -0.09 -0.04 7.38 7.30 2bs9H1 PHE 435 HZ 0.04 0.02 0.02 -0.04 7.32 7.35 2bs9H1 PRO 436 HA 0.08 0.03 0.28 -0.51 4.44 4.32 2bs9H1 PRO 436 HB2 0.03 -0.00 -0.04 -0.04 2.28 2.23 2bs9H1 PRO 436 HB3 0.12 0.06 -0.01 -0.04 2.02 2.16 2bs9H1 PRO 436 HG2 -0.04 0.03 -0.09 -0.04 2.03 1.89 2bs9H1 PRO 436 HG3 0.10 0.07 -0.08 -0.04 2.03 2.08 2bs9H1 PRO 436 HD2 0.13 0.10 0.02 -0.04 3.68 3.89 2bs9H1 PRO 436 HD3 0.11 0.26 -0.53 -0.04 3.65 3.45 2bs9H1 SER 437 H 0.03 0.06 0.16 -0.55 8.46 8.17 2bs9H1 SER 437 HA 0.01 0.20 0.51 -0.75 4.49 4.46 2bs9H1 SER 437 HB2 0.01 -0.02 0.20 -0.04 3.95 4.10 2bs9H1 SER 437 HB3 0.02 0.14 0.16 -0.04 3.93 4.21 2bs9H1 ARG 438 H -0.01 0.19 0.18 -0.55 8.46 8.27 2bs9H1 ARG 438 HA -0.08 0.17 0.53 -0.75 4.34 4.20 2bs9H1 ARG 438 HB2 -0.00 -0.03 0.14 -0.04 1.90 1.96 2bs9H1 ARG 438 HB3 -0.01 0.06 0.04 -0.04 1.80 1.85 2bs9H1 ARG 438 HG2 -0.01 0.05 0.04 -0.04 1.67 1.71 2bs9H1 ARG 438 HG3 0.00 -0.01 0.10 -0.04 1.67 1.72 2bs9H1 ARG 438 HD2 0.01 0.02 0.02 -0.04 3.22 3.23 2bs9H1 ARG 438 HD3 0.02 0.03 0.01 -0.04 3.22 3.24 2bs9H1 GLN 439 H -0.00 0.09 -0.07 -0.55 8.47 7.93 2bs9H1 GLN 439 HA 0.00 0.13 0.42 -0.75 4.36 4.16 2bs9H1 GLN 439 HB2 0.01 -0.03 0.05 -0.04 2.15 2.13 2bs9H1 GLN 439 HB3 0.01 0.08 -0.00 -0.04 2.02 2.06 2bs9H1 GLN 439 HG2 0.01 0.08 0.02 -0.04 2.40 2.47 2bs9H1 GLN 439 HG3 0.01 -0.01 0.01 -0.04 2.39 2.35 2bs9H1 GLN 439 HE21 0.01 0.02 0.02 -0.04 6.97 6.98 2bs9H1 GLN 439 HE22 0.01 0.04 0.01 -0.04 7.69 7.72 2bs9H1 ALA 440 H 0.00 -0.00 -0.33 -0.55 8.40 7.52 2bs9H1 ALA 440 HA 0.03 0.10 0.43 -0.75 4.34 4.15 2bs9H1 ALA 440 HB3 0.03 0.04 0.08 -0.04 1.41 1.52 2bs9H1 VAL 441 H -0.05 0.40 -0.36 -0.55 8.24 7.68 2bs9H1 VAL 441 HA -0.03 0.03 0.31 -0.75 4.13 3.69 2bs9H1 VAL 441 HB -0.15 0.09 0.16 -0.04 2.12 2.17 2bs9H1 VAL 441 HG13 -0.12 -0.00 -0.13 -0.04 0.97 0.67 2bs9H1 VAL 441 HG23 -0.46 0.02 -0.10 -0.04 0.95 0.37 2bs9H1 GLU 442 H -0.01 0.45 -0.13 -0.55 8.60 8.37 2bs9H1 GLU 442 HA 0.01 0.08 0.40 -0.75 4.29 4.03 2bs9H1 GLU 442 HB2 0.01 0.03 0.16 -0.04 2.09 2.24 2bs9H1 GLU 442 HB3 0.02 -0.01 0.03 -0.04 1.99 1.98 2bs9H1 GLU 442 HG2 -0.00 0.06 0.02 -0.04 2.34 2.38 2bs9H1 GLU 442 HG3 0.01 -0.02 0.01 -0.04 2.34 2.29 2bs9H1 THR 443 H 0.03 0.41 -0.27 -0.55 8.28 7.90 2bs9H1 THR 443 HA 0.04 0.02 0.44 -0.75 4.39 4.13 2bs9H1 THR 443 HB 0.04 0.15 0.18 -0.04 4.32 4.66 2bs9H1 THR 443 HG23 0.05 -0.01 -0.07 -0.04 1.22 1.14 2bs9H1 LEU 444 H 0.06 0.46 -0.17 -0.55 8.37 8.18 2bs9H1 LEU 444 HA 0.13 -0.03 0.37 -0.75 4.35 4.06 2bs9H1 LEU 444 HB2 0.08 0.13 0.11 -0.04 1.64 1.93 2bs9H1 LEU 444 HB3 0.19 -0.07 -0.01 -0.04 1.64 1.71 2bs9H1 LEU 444 HG 0.13 0.23 0.03 -0.04 1.64 1.99 2bs9H1 LEU 444 HD13 0.23 -0.03 -0.10 -0.04 0.93 0.99 2bs9H1 LEU 444 HD23 0.24 -0.00 -0.10 -0.04 0.89 0.99 2bs9H1 ARG 445 H 0.05 0.45 -0.28 -0.55 8.46 8.12 2bs9H1 ARG 445 HA 0.05 0.05 0.49 -0.75 4.34 4.17 2bs9H1 ARG 445 HB2 0.02 0.03 0.06 -0.04 1.90 1.98 2bs9H1 ARG 445 HB3 0.03 0.06 0.16 -0.04 1.80 2.01 2bs9H1 ARG 445 HG2 0.02 -0.01 -0.10 -0.04 1.67 1.53 2bs9H1 ARG 445 HG3 -0.01 0.08 0.04 -0.04 1.67 1.74 2bs9H1 ARG 445 HD2 0.02 -0.04 -0.04 -0.04 3.22 3.12 2bs9H1 ARG 445 HD3 0.00 0.01 -0.01 -0.04 3.22 3.18 2bs9H1 GLN 446 H 0.05 0.51 -0.05 -0.55 8.47 8.44 2bs9H1 GLN 446 HA 0.05 0.02 0.44 -0.75 4.36 4.13 2bs9H1 GLN 446 HB2 0.04 0.05 0.18 -0.04 2.15 2.38 2bs9H1 GLN 446 HB3 0.05 0.06 0.23 -0.04 2.02 2.33 2bs9H1 GLN 446 HG2 0.05 0.00 -0.09 -0.04 2.40 2.32 2bs9H1 GLN 446 HG3 0.04 -0.01 0.06 -0.04 2.39 2.44 2bs9H1 GLN 446 HE21 0.03 -0.04 -0.00 -0.04 6.97 6.92 2bs9H1 GLN 446 HE22 0.04 0.01 -0.00 -0.04 7.69 7.69 2bs9H1 VAL 447 H 0.08 0.59 -0.02 -0.55 8.24 8.33 2bs9H1 VAL 447 HA 0.10 0.02 0.42 -0.75 4.13 3.92 2bs9H1 VAL 447 HB 0.10 0.17 0.11 -0.04 2.12 2.45 2bs9H1 VAL 447 HG13 0.11 -0.04 -0.22 -0.04 0.97 0.78 2bs9H1 VAL 447 HG23 0.08 -0.03 0.04 -0.04 0.95 1.00 2bs9H1 ALA 448 H 0.11 0.33 -0.57 -0.55 8.40 7.72 2bs9H1 ALA 448 HA 0.17 -0.18 0.30 -0.75 4.34 3.87 2bs9H1 ALA 448 HB3 0.14 0.06 0.11 -0.04 1.41 1.68 2bs9H1 GLN 449 H 0.09 0.37 -0.27 -0.55 8.47 8.12 2bs9H1 GLN 449 HA 0.07 0.06 0.63 -0.75 4.36 4.36 2bs9H1 GLN 449 HB2 0.06 0.03 0.13 -0.04 2.15 2.33 2bs9H1 GLN 449 HB3 0.05 -0.00 0.08 -0.04 2.02 2.11 2bs9H1 GLN 449 HG2 0.06 0.15 0.19 -0.04 2.40 2.77 2bs9H1 GLN 449 HG3 0.06 -0.12 0.07 -0.04 2.39 2.36 2bs9H1 GLN 449 HE21 0.05 -0.06 -0.02 -0.04 6.97 6.89 2bs9H1 GLN 449 HE22 0.06 0.47 0.03 -0.04 7.69 8.21 2bs9H1 PRO 450 HA 0.01 0.09 0.46 -0.51 4.44 4.49 2bs9H1 PRO 450 HB2 0.08 -0.04 -0.08 -0.04 2.28 2.19 2bs9H1 PRO 450 HB3 0.21 0.00 -0.11 -0.04 2.02 2.09 2bs9H1 PRO 450 HG2 0.13 0.03 0.02 -0.04 2.03 2.17 2bs9H1 PRO 450 HG3 -0.67 0.06 0.05 -0.04 2.03 1.42 2bs9H1 PRO 450 HD2 0.03 0.05 0.17 -0.04 3.68 3.89 2bs9H1 PRO 450 HD3 -0.10 0.17 0.27 -0.04 3.65 3.94 2bs9H1 HIS 451 H 0.14 0.47 0.31 -0.55 8.41 8.79 2bs9H1 HIS 451 HA -0.14 0.11 0.80 -0.75 4.63 4.65 2bs9H1 HIS 451 HB2 -0.58 -0.02 0.14 -0.04 3.26 2.77 2bs9H1 HIS 451 HB3 -0.26 -0.05 0.18 -0.04 3.20 3.03 2bs9H1 HIS 451 HD2 -0.27 0.01 0.09 -0.04 6.97 6.76 2bs9H1 HIS 451 HE1 -0.15 -0.05 -0.08 -0.04 7.75 7.44 2bs9H1 VAL 452 H -0.25 0.18 0.22 -0.55 8.24 7.84 2bs9H1 VAL 452 HA -0.24 0.37 1.02 -0.75 4.13 4.53 2bs9H1 VAL 452 HB -0.12 -0.07 0.08 -0.04 2.12 1.98 2bs9H1 VAL 452 HG13 -0.10 -0.01 -0.11 -0.04 0.97 0.72 2bs9H1 VAL 452 HG23 -0.05 0.02 -0.07 -0.04 0.95 0.81 2bs9H1 MET 453 H -0.25 0.73 0.40 -0.55 8.47 8.79 2bs9H1 MET 453 HA -0.18 0.08 0.55 -0.75 4.52 4.23 2bs9H1 MET 453 HB2 -0.12 0.01 0.05 -0.04 2.15 2.04 2bs9H1 MET 453 HB3 -0.21 0.04 0.11 -0.04 2.03 1.93 2bs9H1 MET 453 HG2 -0.26 0.05 -0.05 -0.04 2.63 2.33 2bs9H1 MET 453 HG3 -0.14 -0.02 -0.02 -0.04 2.56 2.34 2bs9H1 MET 453 HE3 -0.02 -0.00 -0.06 -0.04 2.10 1.98 2bs9H1 THR 454 H -0.10 0.20 0.22 -0.55 8.28 8.04 2bs9H1 THR 454 HA -0.28 0.35 1.12 -0.75 4.39 4.83 2bs9H1 THR 454 HB -0.28 0.05 0.09 -0.04 4.32 4.14 2bs9H1 THR 454 HG23 -0.06 -0.01 -0.12 -0.04 1.22 0.99 2bs9H1 GLU 455 H -0.35 0.50 0.39 -0.55 8.60 8.60 2bs9H1 GLU 455 HA -0.06 0.07 0.53 -0.75 4.29 4.08 2bs9H1 GLU 455 HB2 -0.05 0.02 0.18 -0.04 2.09 2.20 2bs9H1 GLU 455 HB3 -0.09 0.05 -0.14 -0.04 1.99 1.78 2bs9H1 GLU 455 HG2 -0.14 -0.04 -0.05 -0.04 2.34 2.06 2bs9H1 GLU 455 HG3 -0.08 0.01 -0.43 -0.04 2.34 1.79 2bs9H1 GLN 456 H -0.00 0.15 0.22 -0.55 8.47 8.29 2bs9H1 GLN 456 HA 0.04 0.31 1.09 -0.75 4.36 5.04 2bs9H1 GLN 456 HB2 0.08 -0.02 0.10 -0.04 2.15 2.27 2bs9H1 GLN 456 HB3 0.03 -0.03 0.11 -0.04 2.02 2.09 2bs9H1 GLN 456 HG2 0.03 -0.03 -0.17 -0.04 2.40 2.19 2bs9H1 GLN 456 HG3 0.06 0.10 0.05 -0.04 2.39 2.57 2bs9H1 GLN 456 HE21 0.02 -0.05 -0.04 -0.04 6.97 6.86 2bs9H1 GLN 456 HE22 0.06 0.04 -0.04 -0.04 7.69 7.71 2bs9H1 ARG 457 H 0.01 0.65 0.32 -0.55 8.46 8.88 2bs9H1 ARG 457 HA -0.01 0.10 0.87 -0.75 4.34 4.56 2bs9H1 ARG 457 HB2 -0.04 0.02 -0.34 -0.04 1.90 1.50 2bs9H1 ARG 457 HB3 -0.03 -0.02 -0.06 -0.04 1.80 1.65 2bs9H1 ARG 457 HG2 -0.02 -0.03 -0.13 -0.04 1.67 1.44 2bs9H1 ARG 457 HG3 -0.01 0.10 -0.21 -0.04 1.67 1.51 2bs9H1 ARG 457 HD2 -0.00 0.01 0.05 -0.04 3.22 3.24 2bs9H1 ARG 457 HD3 -0.01 0.01 0.15 -0.04 3.22 3.33 2bs9H1 ARG 458 H 0.00 0.17 0.17 -0.55 8.46 8.24 2bs9H1 ARG 458 HA 0.01 0.10 0.90 -0.75 4.34 4.60 2bs9H1 ARG 458 HB2 0.00 -0.02 0.12 -0.04 1.90 1.97 2bs9H1 ARG 458 HB3 0.00 0.13 0.13 -0.04 1.80 2.02 2bs9H1 ARG 458 HG2 0.01 -0.11 -0.09 -0.04 1.67 1.44 2bs9H1 ARG 458 HG3 0.00 0.00 0.04 -0.04 1.67 1.68 2bs9H1 ARG 458 HD2 0.00 0.01 0.04 -0.04 3.22 3.23 2bs9H1 ARG 458 HD3 0.01 0.09 0.08 -0.04 3.22 3.36 2bs9H1 ALA 459 H 0.00 0.31 0.12 -0.55 8.40 8.28 2bs9H1 ALA 459 HA 0.01 0.18 0.52 -0.75 4.34 4.29 2bs9H1 ALA 459 HB3 0.00 -0.03 -0.11 -0.04 1.41 1.23 2bs9H1 THR 460 H 0.03 0.52 0.27 -0.55 8.28 8.56 2bs9H1 THR 460 HA 0.01 0.11 0.86 -0.75 4.39 4.61 2bs9H1 THR 460 HB 0.01 -0.01 0.06 -0.04 4.32 4.34 2bs9H1 THR 460 HG23 0.00 0.02 -0.07 -0.04 1.22 1.14 2bs9H1 ASP 461 H 0.01 0.18 0.08 -0.55 8.40 8.12 2bs9H1 ASP 461 HA 0.01 0.03 0.30 -0.75 4.63 4.21 2bs9H1 ASP 461 HB2 0.02 0.18 -0.03 -0.04 2.71 2.85 2bs9H1 ASP 461 HB3 0.01 0.02 0.18 -0.04 2.70 2.87 2bs9H1 GLY 462 H 0.01 0.03 -0.28 -0.55 8.43 7.64 2bs9H1 GLY 462 HA2 -0.00 0.00 0.26 -0.51 4.01 3.76 2bs9H1 GLY 462 HA3 -0.00 0.12 0.49 -0.51 4.01 4.11 2bs9H1 VAL 463 H 0.01 0.15 -0.31 -0.55 8.24 7.54 2bs9H1 VAL 463 HA -0.04 0.23 0.86 -0.75 4.13 4.42 2bs9H1 VAL 463 HB 0.01 0.05 -0.27 -0.04 2.12 1.87 2bs9H1 VAL 463 HG13 -0.03 -0.01 -0.28 -0.04 0.97 0.62 2bs9H1 VAL 463 HG23 -0.06 0.02 -0.28 -0.04 0.95 0.59 2bs9H1 ILE 464 H -0.11 0.73 0.25 -0.55 8.25 8.57 2bs9H1 ILE 464 HA -0.00 0.08 0.81 -0.75 4.18 4.31 2bs9H1 ILE 464 HB -0.06 0.13 -0.02 -0.04 1.89 1.90 2bs9H1 ILE 464 HG12 -0.03 0.00 -0.22 -0.04 1.49 1.20 2bs9H1 ILE 464 HG13 -0.02 0.01 -0.16 -0.04 1.21 1.00 2bs9H1 ILE 464 HG23 -0.07 -0.02 -0.24 -0.04 0.93 0.55 2bs9H1 ILE 464 HD13 -0.01 0.02 -0.40 -0.04 0.88 0.44 2bs9H1 HIS 465 H 0.09 0.18 0.07 -0.55 8.41 8.21 2bs9H1 HIS 465 HA -0.05 0.36 1.07 -0.75 4.63 5.26 2bs9H1 HIS 465 HB2 -0.03 -0.03 0.15 -0.04 3.26 3.31 2bs9H1 HIS 465 HB3 -0.04 -0.01 -0.00 -0.04 3.20 3.11 2bs9H1 HIS 465 HD2 -0.03 0.01 -0.22 -0.04 6.97 6.68 2bs9H1 HIS 465 HE1 -0.04 -0.01 -0.12 -0.04 7.75 7.54 2bs9H1 LEU 466 H -0.08 0.60 0.18 -0.55 8.37 8.53 2bs9H1 LEU 466 HA -0.03 0.11 0.80 -0.75 4.35 4.48 2bs9H1 LEU 466 HB2 -0.08 0.03 0.05 -0.04 1.64 1.59 2bs9H1 LEU 466 HB3 -0.07 0.00 -0.03 -0.04 1.64 1.50 2bs9H1 LEU 466 HG -0.06 -0.03 -0.16 -0.04 1.64 1.35 2bs9H1 LEU 466 HD13 -0.09 0.00 -0.15 -0.04 0.93 0.66 2bs9H1 LEU 466 HD23 -0.06 0.00 -0.11 -0.04 0.89 0.67 2bs9H1 SER 467 H -0.01 0.21 0.13 -0.55 8.46 8.24 2bs9H1 SER 467 HA -0.02 0.18 0.90 -0.75 4.49 4.79 2bs9H1 SER 467 HB2 -0.01 -0.00 0.00 -0.04 3.95 3.90 2bs9H1 SER 467 HB3 -0.01 0.00 0.10 -0.04 3.93 3.99 2bs9H1 ILE 468 H -0.03 0.48 0.22 -0.55 8.25 8.37 2bs9H1 ILE 468 HA -0.03 0.12 0.83 -0.75 4.18 4.35 2bs9H1 ILE 468 HB -0.05 0.18 -0.00 -0.04 1.89 1.98 2bs9H1 ILE 468 HG12 -0.05 0.00 -0.16 -0.04 1.49 1.24 2bs9H1 ILE 468 HG13 -0.05 0.02 -0.50 -0.04 1.21 0.64 2bs9H1 ILE 468 HG23 -0.04 -0.01 -0.36 -0.04 0.93 0.48 2bs9H1 ILE 468 HD13 -0.08 0.01 -0.20 -0.04 0.88 0.57 2bs9H1 VAL 469 H -0.01 0.23 0.11 -0.55 8.24 8.02 2bs9H1 VAL 469 HA -0.01 0.29 0.95 -0.75 4.13 4.61 2bs9H1 VAL 469 HB 0.01 -0.03 0.06 -0.04 2.12 2.13 2bs9H1 VAL 469 HG13 0.01 -0.01 -0.22 -0.04 0.97 0.72 2bs9H1 VAL 469 HG23 -0.00 0.00 -0.17 -0.04 0.95 0.74 2bs9H1 LEU 470 H 0.00 0.60 0.19 -0.55 8.37 8.62 2bs9H1 LEU 470 HA 0.04 0.09 0.80 -0.75 4.35 4.53 2bs9H1 LEU 470 HB2 0.02 -0.03 0.08 -0.04 1.64 1.67 2bs9H1 LEU 470 HB3 0.05 0.01 0.01 -0.04 1.64 1.67 2bs9H1 LEU 470 HG -0.02 0.05 -0.18 -0.04 1.64 1.46 2bs9H1 LEU 470 HD13 -0.03 0.01 -0.25 -0.04 0.93 0.62 2bs9H1 LEU 470 HD23 0.00 0.01 -0.30 -0.04 0.89 0.57 2bs9H1 SER 471 H 0.07 0.10 0.05 -0.55 8.46 8.13 2bs9H1 SER 471 HA 0.04 0.13 0.63 -0.75 4.49 4.53 2bs9H1 SER 471 HB2 0.04 -0.06 0.17 -0.04 3.95 4.05 2bs9H1 SER 471 HB3 0.05 0.03 0.04 -0.04 3.93 4.01 2bs9H1 LYS 472 H 0.04 0.09 0.13 -0.55 8.42 8.12 2bs9H1 LYS 472 HA 0.05 0.19 0.42 -0.75 4.32 4.23 2bs9H1 LYS 472 HB2 0.04 0.20 0.16 -0.04 1.87 2.23 2bs9H1 LYS 472 HB3 0.05 -0.16 0.16 -0.04 1.79 1.79 2bs9H1 LYS 472 HG2 0.06 -0.06 -0.12 -0.04 1.46 1.29 2bs9H1 LYS 472 HG3 0.05 0.06 0.07 -0.04 1.46 1.60 2bs9H1 LYS 472 HD2 0.03 0.10 -0.02 -0.04 1.69 1.77 2bs9H1 LYS 472 HD3 0.04 -0.17 -0.02 -0.04 1.68 1.49 2bs9H1 LYS 472 HE2 0.05 0.03 -0.01 -0.04 2.99 3.01 2bs9H1 LYS 472 HE3 0.03 0.05 -0.10 -0.04 2.99 2.94 2bs9H1 ASN 473 H 0.08 0.44 0.36 -0.55 8.53 8.87 2bs9H1 ASN 473 HA 0.12 0.12 0.34 -0.75 4.76 4.59 2bs9H1 ASN 473 HB2 0.08 0.05 -0.26 -0.04 2.88 2.71 2bs9H1 ASN 473 HB3 0.08 -0.04 -0.10 -0.04 2.79 2.69 2bs9H1 ASN 473 HD21 0.06 0.41 0.12 -0.04 7.03 7.58 2bs9H1 ASN 473 HD22 0.06 -0.06 -0.07 -0.04 7.74 7.63 2bs9H1 GLU 474 H 0.11 0.33 -0.09 -0.55 8.60 8.41 2bs9H1 GLU 474 HA 0.14 0.21 0.78 -0.75 4.29 4.67 2bs9H1 GLU 474 HB2 0.11 -0.16 -0.04 -0.04 2.09 1.96 2bs9H1 GLU 474 HB3 0.10 0.02 0.08 -0.04 1.99 2.15 2bs9H1 GLU 474 HG2 0.13 -0.01 -0.43 -0.04 2.34 1.99 2bs9H1 GLU 474 HG3 0.16 0.22 -0.05 -0.04 2.34 2.63 2bs9H1 VAL 475 H 0.20 0.61 0.44 -0.55 8.24 8.94 2bs9H1 VAL 475 HA 0.30 0.27 0.90 -0.75 4.13 4.86 2bs9H1 VAL 475 HB 0.23 -0.03 0.10 -0.04 2.12 2.38 2bs9H1 VAL 475 HG13 0.33 0.01 -0.04 -0.04 0.97 1.23 2bs9H1 VAL 475 HG23 0.15 -0.00 -0.22 -0.04 0.95 0.83 2bs9H1 THR 476 H 0.24 0.62 0.34 -0.55 8.28 8.93 2bs9H1 THR 476 HA 0.10 0.25 0.95 -0.75 4.39 4.94 2bs9H1 THR 476 HB 0.09 -0.06 -0.22 -0.04 4.32 4.08 2bs9H1 THR 476 HG23 0.01 -0.01 -0.15 -0.04 1.22 1.03 2bs9H1 LEU 477 H -0.54 0.52 0.38 -0.55 8.37 8.19 2bs9H1 LEU 477 HA -0.24 0.32 1.09 -0.75 4.35 4.77 2bs9H1 LEU 477 HB2 -1.33 -0.03 0.09 -0.04 1.64 0.32 2bs9H1 LEU 477 HB3 -0.70 -0.11 0.20 -0.04 1.64 0.99 2bs9H1 LEU 477 HG -0.21 0.04 0.04 -0.04 1.64 1.47 2bs9H1 LEU 477 HD13 -0.19 -0.01 -0.07 -0.04 0.93 0.62 2bs9H1 LEU 477 HD23 -0.17 0.02 -0.16 -0.04 0.89 0.53 2bs9H1 ILE 478 H -0.16 0.72 0.36 -0.55 8.25 8.62 2bs9H1 ILE 478 HA -0.17 0.30 1.00 -0.75 4.18 4.56 2bs9H1 ILE 478 HB -0.12 -0.02 0.11 -0.04 1.89 1.82 2bs9H1 ILE 478 HG12 -0.12 -0.03 -0.10 -0.04 1.49 1.20 2bs9H1 ILE 478 HG13 -0.14 0.07 -0.26 -0.04 1.21 0.84 2bs9H1 ILE 478 HG23 -0.12 -0.02 -0.25 -0.04 0.93 0.51 2bs9H1 ILE 478 HD13 -0.09 -0.01 -0.19 -0.04 0.88 0.55 2bs9H1 GLU 479 H -0.13 0.65 0.34 -0.55 8.60 8.91 2bs9H1 GLU 479 HA -0.07 0.35 1.10 -0.75 4.29 4.91 2bs9H1 GLU 479 HB2 -0.05 -0.06 0.20 -0.04 2.09 2.13 2bs9H1 GLU 479 HB3 -0.02 -0.02 0.04 -0.04 1.99 1.95 2bs9H1 GLU 479 HG2 -0.05 0.07 0.02 -0.04 2.34 2.35 2bs9H1 GLU 479 HG3 -0.10 -0.05 -0.18 -0.04 2.34 1.97 2bs9H1 ILE 480 H -0.04 0.84 0.30 -0.55 8.25 8.80 2bs9H1 ILE 480 HA -0.05 0.17 0.87 -0.75 4.18 4.41 2bs9H1 ILE 480 HB -0.05 -0.04 0.20 -0.04 1.89 1.97 2bs9H1 ILE 480 HG12 -0.09 -0.01 -0.20 -0.04 1.49 1.15 2bs9H1 ILE 480 HG13 -0.08 -0.03 -0.54 -0.04 1.21 0.51 2bs9H1 ILE 480 HG23 -0.04 -0.01 -0.17 -0.04 0.93 0.67 2bs9H1 ILE 480 HD13 -0.08 -0.00 -0.15 -0.04 0.88 0.61 2bs9H1 GLU 481 H 0.06 0.67 0.28 -0.55 8.60 9.07 2bs9H1 GLU 481 HA 0.03 0.10 0.95 -0.75 4.29 4.62 2bs9H1 GLU 481 HB2 0.18 0.06 0.07 -0.04 2.09 2.36 2bs9H1 GLU 481 HB3 0.07 0.07 0.04 -0.04 1.99 2.12 2bs9H1 GLU 481 HG2 0.03 -0.04 0.02 -0.04 2.34 2.32 2bs9H1 GLU 481 HG3 0.04 -0.02 -0.27 -0.04 2.34 2.06 2bs9H1 GLN 482 H 0.03 0.12 0.16 -0.55 8.47 8.23 2bs9H1 GLN 482 HA 0.02 0.14 0.54 -0.75 4.36 4.31 2bs9H1 GLN 482 HB2 0.01 0.02 0.11 -0.04 2.15 2.24 2bs9H1 GLN 482 HB3 0.01 -0.02 0.12 -0.04 2.02 2.08 2bs9H1 GLN 482 HG2 0.01 -0.08 -0.45 -0.04 2.40 1.84 2bs9H1 GLN 482 HG3 0.01 0.11 0.05 -0.04 2.39 2.52 2bs9H1 GLN 482 HE21 0.00 0.00 -0.02 -0.04 6.97 6.92 2bs9H1 GLN 482 HE22 0.01 0.02 -0.00 -0.04 7.69 7.68 2bs9H1 VAL 483 H 0.03 0.61 0.35 -0.55 8.24 8.67 2bs9H1 VAL 483 HA 0.00 0.12 0.80 -0.75 4.13 4.30 2bs9H1 VAL 483 HB 0.03 0.05 -0.07 -0.04 2.12 2.08 2bs9H1 VAL 483 HG13 0.01 -0.04 -0.26 -0.04 0.97 0.64 2bs9H1 VAL 483 HG23 0.09 -0.00 -0.27 -0.04 0.95 0.73 2bs9H1 ARG 484 H -0.01 0.25 0.01 -0.55 8.46 8.15 2bs9H1 ARG 484 HA 0.00 0.15 0.78 -0.75 4.34 4.53 2bs9H1 ARG 484 HB2 -0.01 -0.01 0.16 -0.04 1.90 2.00 2bs9H1 ARG 484 HB3 -0.00 0.02 0.02 -0.04 1.80 1.80 2bs9H1 ARG 484 HG2 0.00 0.04 -0.06 -0.04 1.67 1.61 2bs9H1 ARG 484 HG3 -0.00 0.02 -0.13 -0.04 1.67 1.51 2bs9H1 ARG 484 HD2 -0.01 -0.00 -0.00 -0.04 3.22 3.17 2bs9H1 ARG 484 HD3 -0.00 -0.01 -0.01 -0.04 3.22 3.16 2bs9H1 ASP 485 H 0.01 0.23 -0.06 -0.55 8.40 8.04 2bs9H1 ASP 485 HA 0.01 0.03 0.40 -0.75 4.63 4.31 2bs9H1 ASP 485 HB2 0.01 0.09 0.06 -0.04 2.71 2.83 2bs9H1 ASP 485 HB3 0.01 0.01 0.10 -0.04 2.70 2.78 2bs9H1 GLU 486 H 0.05 0.19 0.22 -0.55 8.60 8.51 2bs9H1 GLU 486 HA 0.06 0.20 0.76 -0.75 4.29 4.55 2bs9H1 GLU 486 HB2 0.15 0.02 0.10 -0.04 2.09 2.31 2bs9H1 GLU 486 HB3 0.12 -0.02 0.14 -0.04 1.99 2.20 2bs9H1 GLU 486 HG2 0.02 0.00 -0.03 -0.04 2.34 2.30 2bs9H1 GLU 486 HG3 0.03 0.18 -0.14 -0.04 2.34 2.37 2bs9H1 THR 487 H 0.06 0.07 -0.13 -0.55 8.28 7.72 2bs9H1 THR 487 HA 0.10 0.09 0.30 -0.75 4.39 4.13 2bs9H1 THR 487 HB 0.02 -0.02 0.05 -0.04 4.32 4.33 2bs9H1 THR 487 HG23 -0.02 0.03 -0.12 -0.04 1.22 1.07 2bs9H1 SER 488 H 0.06 0.10 -0.29 -0.55 8.46 7.79 2bs9H1 SER 488 HA 0.05 0.11 0.36 -0.75 4.49 4.26 2bs9H1 SER 488 HB2 0.02 0.03 0.05 -0.04 3.95 4.01 2bs9H1 SER 488 HB3 0.03 -0.03 0.02 -0.04 3.93 3.91 2bs9H1 THR 489 H 0.09 0.35 -0.39 -0.55 8.28 7.78 2bs9H1 THR 489 HA -0.01 0.10 0.62 -0.75 4.39 4.34 2bs9H1 THR 489 HB -0.11 -0.03 0.10 -0.04 4.32 4.24 2bs9H1 THR 489 HG23 -0.02 -0.02 0.01 -0.04 1.22 1.15 2bs9H1 TYR 490 H 0.27 0.31 -0.28 -0.55 8.29 8.04 2bs9H1 TYR 490 HA -0.01 0.10 0.62 -0.75 4.56 4.52 2bs9H1 TYR 490 HB2 -0.01 0.14 0.24 -0.04 3.06 3.38 2bs9H1 TYR 490 HB3 -0.01 -0.06 0.12 -0.04 2.98 2.99 2bs9H1 TYR 490 HD2 -0.02 0.05 0.01 -0.04 7.15 7.15 2bs9H1 TYR 490 HE2 -0.02 -0.04 -0.11 -0.04 6.85 6.64 2bs9H1 VAL 491 H 0.02 0.35 -0.16 -0.55 8.24 7.90 2bs9H1 VAL 491 HA 0.04 0.04 0.16 -0.75 4.13 3.62 2bs9H1 VAL 491 HB 0.01 -0.02 0.10 -0.04 2.12 2.17 2bs9H1 VAL 491 HG13 0.01 -0.01 -0.04 -0.04 0.97 0.89 2bs9H1 VAL 491 HG23 0.00 0.09 0.03 -0.04 0.95 1.03 2bs9H1 GLY 492 H 0.03 0.14 0.18 -0.55 8.43 8.23 2bs9H1 GLY 492 HA2 0.02 -0.02 0.33 -0.51 4.01 3.83 2bs9H1 GLY 492 HA3 0.02 0.12 0.68 -0.51 4.01 4.33 2bs9H1 LEU 493 H 0.06 0.56 -0.27 -0.55 8.37 8.17 2bs9H1 LEU 493 HA 0.03 -0.03 0.35 -0.75 4.35 3.95 2bs9H1 LEU 493 HB2 0.09 0.04 0.10 -0.04 1.64 1.83 2bs9H1 LEU 493 HB3 0.02 0.03 0.13 -0.04 1.64 1.78 2bs9H1 LEU 493 HG -0.04 -0.05 -0.07 -0.04 1.64 1.44 2bs9H1 LEU 493 HD13 -0.25 -0.01 -0.01 -0.04 0.93 0.62 2bs9H1 LEU 493 HD23 -0.07 -0.02 -0.29 -0.04 0.89 0.47 2bs9H1 ASP 494 H 0.00 0.20 0.09 -0.55 8.40 8.15 2bs9H1 ASP 494 HA -0.00 0.05 0.54 -0.75 4.63 4.46 2bs9H1 ASP 494 HB2 0.01 0.21 -0.18 -0.04 2.71 2.71 2bs9H1 ASP 494 HB3 0.01 -0.00 0.12 -0.04 2.70 2.79 2bs9H1 ASP 495 H -0.02 0.21 0.08 -0.55 8.40 8.12 2bs9H1 ASP 495 HA -0.02 0.15 0.63 -0.75 4.63 4.64 2bs9H1 ASP 495 HB2 -0.01 -0.00 0.06 -0.04 2.71 2.72 2bs9H1 ASP 495 HB3 -0.02 -0.00 0.05 -0.04 2.70 2.69 2bs9H1 GLY 496 H 0.02 0.14 -0.22 -0.55 8.43 7.82 2bs9H1 GLY 496 HA2 0.06 0.31 0.28 -0.51 4.01 4.16 2bs9H1 GLY 496 HA3 0.03 0.08 0.24 -0.51 4.01 3.85 2bs9H1 GLU 497 H 0.03 0.22 -0.56 -0.55 8.60 7.73 2bs9H1 GLU 497 HA 0.03 0.14 0.68 -0.75 4.29 4.39 2bs9H1 GLU 497 HB2 0.02 0.16 0.05 -0.04 2.09 2.27 2bs9H1 GLU 497 HB3 0.02 -0.04 0.09 -0.04 1.99 2.02 2bs9H1 GLU 497 HG2 0.02 -0.10 -0.08 -0.04 2.34 2.13 2bs9H1 GLU 497 HG3 0.01 0.03 0.02 -0.04 2.34 2.36 2bs9H1 ILE 498 H 0.07 0.29 -0.33 -0.55 8.25 7.73 2bs9H1 ILE 498 HA 0.06 0.08 0.78 -0.75 4.18 4.35 2bs9H1 ILE 498 HB 0.18 0.07 0.10 -0.04 1.89 2.20 2bs9H1 ILE 498 HG12 0.01 0.01 -0.00 -0.04 1.49 1.47 2bs9H1 ILE 498 HG13 0.02 -0.06 -0.06 -0.04 1.21 1.08 2bs9H1 ILE 498 HG23 0.13 0.03 -0.00 -0.04 0.93 1.05 2bs9H1 ILE 498 HD13 -0.09 -0.01 0.05 -0.04 0.88 0.79 2bs9H1 THR 499 H 0.07 0.11 0.10 -0.55 8.28 8.01 2bs9H1 THR 499 HA 0.02 0.02 0.40 -0.75 4.39 4.07 2bs9H1 THR 499 HB 0.05 -0.01 0.13 -0.04 4.32 4.45 2bs9H1 THR 499 HG23 -0.01 0.01 -0.02 -0.04 1.22 1.16 2bs9H1 SER 500 H -0.04 0.13 0.18 -0.55 8.46 8.19 2bs9H1 SER 500 HA -0.12 -0.02 0.38 -0.75 4.49 3.97 2bs9H1 SER 500 HB2 -0.23 -0.05 0.07 -0.04 3.95 3.70 2bs9H1 SER 500 HB3 -0.18 -0.08 -0.38 -0.04 3.93 3.25 2bs9H1 TYR 501 H 0.06 0.45 -0.44 -0.55 8.29 7.81 2bs9H1 TYR 501 HA -0.00 0.08 0.62 -0.75 4.56 4.50 2bs9H1 TYR 501 HB2 -0.01 0.24 0.09 -0.04 3.06 3.34 2bs9H1 TYR 501 HB3 -0.01 -0.23 0.06 -0.04 2.98 2.76 2bs9H1 TYR 501 HD2 -0.00 0.00 -0.07 -0.04 7.15 7.04 2bs9H1 TYR 501 HE2 -0.00 -0.01 -0.01 -0.04 6.85 6.79 2bs9H1 SER 502 H 0.16 0.07 -0.00 -0.55 8.46 8.15 2bs9H1 SER 502 HA 0.04 0.25 0.64 -0.75 4.49 4.67 2bs9H1 SER 502 HB2 0.05 0.00 0.05 -0.04 3.95 4.02 2bs9H1 SER 502 HB3 0.03 -0.01 0.05 -0.04 3.93 3.96