============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 87 rings ring int. center anis. iso. PHE 12 1.000 -8.586 56.748 41.530 -99.200 -91.000 HIS 14 0.900 -14.555 51.416 41.350 -99.200 -91.000 HIS 29 0.900 -12.606 26.078 38.230 -99.200 -91.000 HIS 30 0.900 -11.481 25.491 42.147 -99.200 -91.000 HIS 31 0.900 -5.220 28.956 42.306 -99.200 -91.000 PHE 36 1.000 -10.682 41.421 39.068 -99.200 -91.000 TRP 38 1.040 -5.676 46.421 44.212 -99.200 -91.000 TRP6 38 1.020 -5.374 48.313 42.837 -99.200 -91.000 TRP 47 1.040 0.227 50.492 44.834 -99.200 -91.000 TRP6 47 1.020 0.429 48.567 46.184 -99.200 -91.000 TYR 48 0.840 0.654 48.016 36.628 -99.200 -91.000 HIS 49 0.900 -7.923 45.764 40.212 -99.200 -91.000 PHE 50 1.000 -1.465 39.909 42.111 -99.200 -91.000 PHE 58 1.000 3.343 30.979 34.629 -99.200 -91.000 TYR 60 0.840 -2.207 36.286 39.175 -99.200 -91.000 TYR 61 0.840 4.013 30.591 43.709 -99.200 -91.000 TYR 63 0.840 7.564 37.231 38.484 -99.200 -91.000 PHE 66 1.000 4.671 43.464 38.457 -99.200 -91.000 PHE 67 1.000 12.154 45.281 38.621 -99.200 -91.000 HIS 74 0.900 12.815 51.632 32.326 -99.200 -91.000 HIS 77 0.900 12.380 39.787 31.253 -99.200 -91.000 TYR 81 0.840 8.515 35.917 47.100 -99.200 -91.000 HIS 87 0.900 12.906 21.668 53.415 -99.200 -91.000 TYR 89 0.840 3.530 20.310 49.234 -99.200 -91.000 TRP 91 1.040 8.642 27.486 45.531 -99.200 -91.000 TRP6 91 1.020 9.527 29.546 44.798 -99.200 -91.000 TYR 92 0.840 6.059 31.087 48.820 -99.200 -91.000 HIS 98 0.900 10.674 25.309 61.522 -99.200 -91.000 TRP 108 1.040 9.038 12.771 48.977 -99.200 -91.000 TRP6 108 1.020 8.170 11.664 47.078 -99.200 -91.000 PHE 112 1.000 9.309 8.081 44.343 -99.200 -91.000 TYR 134 0.840 -3.857 -7.333 15.030 -99.200 -91.000 PHE 136 1.000 -6.832 -4.821 25.350 -99.200 -91.000 PHE 140 1.000 -10.836 -6.175 27.684 -99.200 -91.000 TRP 149 1.040 -9.955 -4.101 32.021 -99.200 -91.000 TRP6 149 1.020 -10.153 -1.943 31.082 -99.200 -91.000 PHE 153 1.000 -5.507 -6.836 29.811 -99.200 -91.000 PHE 170 1.000 0.577 15.882 17.232 -99.200 -91.000 TYR 183 0.840 -6.991 25.572 25.002 -99.200 -91.000 TYR 191 0.840 10.226 21.131 41.570 -99.200 -91.000 TYR 196 0.840 -0.451 28.473 40.746 -99.200 -91.000 PHE 203 1.000 3.607 22.990 29.170 -99.200 -91.000 PHE 207 1.000 8.005 19.935 26.949 -99.200 -91.000 TYR 217 0.840 5.513 25.966 35.783 -99.200 -91.000 PHE 219 1.000 -0.320 20.453 28.623 -99.200 -91.000 PHE 224 1.000 -7.536 15.558 22.144 -99.200 -91.000 PHE 239 1.000 -10.669 -1.680 24.931 -99.200 -91.000 TRP 250 1.040 -24.179 13.687 25.562 -99.200 -91.000 TRP6 250 1.020 -24.389 12.674 27.683 -99.200 -91.000 TYR 258 0.840 -25.145 15.841 16.068 -99.200 -91.000 TYR 267 0.840 -24.776 14.047 20.581 -99.200 -91.000 PHE 279 1.000 -6.318 12.310 29.723 -99.200 -91.000 TYR 288 0.840 4.889 11.693 43.100 -99.200 -91.000 PHE 291 1.000 0.781 6.229 45.442 -99.200 -91.000 HIS 292 0.900 -4.140 10.215 40.093 -99.200 -91.000 PHE 295 1.000 -11.989 12.430 36.073 -99.200 -91.000 TYR 301 0.840 -8.024 6.815 25.460 -99.200 -91.000 TYR 302 0.840 -0.955 8.129 30.730 -99.200 -91.000 HIS 303 0.900 0.196 5.629 22.012 -99.200 -91.000 PHE 311 1.000 0.667 5.637 34.930 -99.200 -91.000 TYR 312 0.840 6.313 4.917 41.192 -99.200 -91.000 PHE 321 1.000 -11.154 1.422 46.361 -99.200 -91.000 TYR 324 0.840 -6.830 7.513 47.470 -99.200 -91.000 HIS 327 0.900 -1.552 9.700 51.098 -99.200 -91.000 TRP 336 1.040 5.154 7.689 47.600 -99.200 -91.000 TRP6 336 1.020 5.872 5.528 46.984 -99.200 -91.000 PHE 337 1.000 -1.710 4.525 49.413 -99.200 -91.000 TRP 362 1.040 -6.493 -1.501 38.926 -99.200 -91.000 TRP6 362 1.020 -4.641 -2.817 39.553 -99.200 -91.000 HIS 364 0.900 -3.987 6.136 38.522 -99.200 -91.000 PHE 375 1.000 -2.514 13.509 21.909 -99.200 -91.000 PHE 379 1.000 -12.653 3.443 29.099 -99.200 -91.000 HIS 381 0.900 -15.721 -0.501 31.704 -99.200 -91.000 TYR 392 0.840 -21.122 9.169 43.259 -99.200 -91.000 HIS 393 0.900 -21.085 3.397 47.234 -99.200 -91.000 PHE 408 1.000 -13.212 16.881 36.777 -99.200 -91.000 TYR 409 0.840 -14.485 14.680 44.016 -99.200 -91.000 PHE 410 1.000 -17.519 10.664 34.517 -99.200 -91.000 PHE 413 1.000 -20.777 8.364 39.005 -99.200 -91.000 HIS 417 0.900 -24.084 6.249 36.584 -99.200 -91.000 TRP 418 1.040 -30.937 9.993 37.951 -99.200 -91.000 TRP6 418 1.020 -32.732 8.815 38.926 -99.200 -91.000 TYR 420 0.840 -25.971 3.018 29.736 -99.200 -91.000 TRP 447 1.040 -32.221 -9.693 35.597 -99.200 -91.000 TRP6 447 1.020 -34.119 -8.300 35.774 -99.200 -91.000 TRP 460 1.040 -27.124 7.826 43.601 -99.200 -91.000 TRP6 460 1.020 -26.699 7.676 41.285 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3n9mA1 LYS 193 HA -0.67 -0.08 0.18 -0.75 4.32 3.01 3n9mA1 LYS 193 HB2 -0.69 -0.02 0.00 -0.04 1.87 1.13 3n9mA1 LYS 193 HB3 -0.37 -0.04 -0.10 -0.04 1.79 1.24 3n9mA1 LYS 193 HG2 -0.15 -0.03 0.00 -0.04 1.46 1.25 3n9mA1 LYS 193 HG3 -0.28 0.01 0.03 -0.04 1.46 1.18 3n9mA1 LYS 193 HD2 0.02 0.03 0.01 -0.04 1.69 1.71 3n9mA1 LYS 193 HD3 -0.16 0.02 -0.01 -0.04 1.68 1.49 3n9mA1 LYS 193 HE2 0.25 -0.02 -0.02 -0.04 2.99 3.15 3n9mA1 LYS 193 HE3 0.07 -0.02 -0.01 -0.04 2.99 2.99 3n9mA1 GLU 194 H -0.43 0.07 0.07 -0.55 8.60 7.77 3n9mA1 GLU 194 HA -0.25 -0.00 0.30 -0.75 4.29 3.59 3n9mA1 GLU 194 HB2 -0.38 0.52 0.03 -0.04 2.09 2.21 3n9mA1 GLU 194 HB3 -0.22 -0.33 0.31 -0.04 1.99 1.70 3n9mA1 GLU 194 HG2 -0.14 -0.02 0.06 -0.04 2.34 2.20 3n9mA1 GLU 194 HG3 -0.17 0.02 -0.13 -0.04 2.34 2.02 3n9mA1 SER 195 H -0.15 0.06 0.18 -0.55 8.46 8.00 3n9mA1 SER 195 HA -0.09 0.13 0.59 -0.75 4.49 4.37 3n9mA1 SER 195 HB2 -0.05 0.02 0.10 -0.04 3.95 3.97 3n9mA1 SER 195 HB3 -0.05 -0.05 0.17 -0.04 3.93 3.96 3n9mA1 ASP 196 H -0.15 -0.02 0.00 -0.55 8.40 7.69 3n9mA1 ASP 196 HA -0.02 -0.05 0.30 -0.75 4.63 4.10 3n9mA1 ASP 196 HB2 -0.07 0.06 0.02 -0.04 2.71 2.67 3n9mA1 ASP 196 HB3 -0.04 -0.04 0.12 -0.04 2.70 2.70 3n9mA1 ARG 197 H -0.26 0.03 0.12 -0.55 8.46 7.80 3n9mA1 ARG 197 HA -0.44 0.23 0.55 -0.75 4.34 3.92 3n9mA1 ARG 197 HB2 -0.78 0.09 -0.24 -0.04 1.90 0.93 3n9mA1 ARG 197 HB3 -1.72 -0.03 -0.04 -0.04 1.80 -0.03 3n9mA1 ARG 197 HG2 -0.23 -0.09 -0.11 -0.04 1.67 1.21 3n9mA1 ARG 197 HG3 -0.21 0.05 -0.43 -0.04 1.67 1.04 3n9mA1 ARG 197 HD2 -0.17 -0.04 -0.03 -0.04 3.22 2.93 3n9mA1 ARG 197 HD3 -0.10 -0.02 -0.07 -0.04 3.22 2.99 3n9mA1 CYS 198 H -0.04 0.32 -0.14 -0.55 8.50 8.09 3n9mA1 CYS 198 HA 0.10 0.43 0.74 -0.75 4.58 5.09 3n9mA1 CYS 198 HB2 -0.37 0.19 0.02 -0.04 2.97 2.77 3n9mA1 CYS 198 HB3 -0.01 -0.06 0.13 -0.04 2.97 2.99 3n9mA1 GLY 199 H -0.42 0.68 0.30 -0.55 8.43 8.45 3n9mA1 GLY 199 HA2 -0.13 0.11 0.40 -0.51 4.01 3.89 3n9mA1 GLY 199 HA3 -0.47 0.01 0.29 -0.51 4.01 3.33 3n9mA1 GLY 200 H 0.00 -0.13 -0.35 -0.55 8.43 7.41 3n9mA1 GLY 200 HA2 0.15 0.24 0.67 -0.51 4.01 4.57 3n9mA1 GLY 200 HA3 0.14 -0.12 0.39 -0.51 4.01 3.90 3n9mA1 CYS 201 H 0.07 -0.03 0.10 -0.55 8.50 8.09 3n9mA1 CYS 201 HA 0.07 0.27 0.67 -0.75 4.58 4.83 3n9mA1 CYS 201 HB2 0.09 0.08 0.19 -0.04 2.97 3.30 3n9mA1 CYS 201 HB3 0.09 0.00 0.08 -0.04 2.97 3.10 3n9mA1 GLY 202 H 0.01 0.23 -0.33 -0.55 8.43 7.79 3n9mA1 GLY 202 HA2 -0.04 0.19 0.30 -0.51 4.01 3.94 3n9mA1 GLY 202 HA3 0.03 0.07 0.26 -0.51 4.01 3.86 3n9mA1 LYS 203 H 0.07 -0.10 -0.78 -0.55 8.42 7.06 3n9mA1 LYS 203 HA 0.10 0.10 0.58 -0.75 4.32 4.35 3n9mA1 LYS 203 HB2 0.16 -0.17 0.06 -0.04 1.87 1.88 3n9mA1 LYS 203 HB3 -0.06 0.16 -0.02 -0.04 1.79 1.84 3n9mA1 LYS 203 HG2 0.32 0.04 0.06 -0.04 1.46 1.84 3n9mA1 LYS 203 HG3 0.16 0.11 0.03 -0.04 1.46 1.72 3n9mA1 LYS 203 HD2 0.17 -0.08 0.03 -0.04 1.69 1.77 3n9mA1 LYS 203 HD3 0.38 0.00 0.04 -0.04 1.68 2.06 3n9mA1 LYS 203 HE2 0.32 0.03 0.03 -0.04 2.99 3.33 3n9mA1 LYS 203 HE3 0.16 0.01 0.03 -0.04 2.99 3.15 3n9mA1 PHE 204 H 0.32 0.12 0.19 -0.55 8.34 8.42 3n9mA1 PHE 204 HA -0.01 0.21 0.66 -0.75 4.62 4.72 3n9mA1 PHE 204 HB2 -0.08 -0.08 0.03 -0.04 3.15 2.98 3n9mA1 PHE 204 HB3 -0.09 0.17 0.07 -0.04 3.06 3.17 3n9mA1 PHE 204 HD2 -0.04 0.25 0.03 -0.04 7.28 7.48 3n9mA1 PHE 204 HE2 -0.01 -0.03 -0.05 -0.04 7.38 7.25 3n9mA1 PHE 204 HZ 0.00 -0.03 -0.02 -0.04 7.32 7.23 3n9mA1 THR 205 H -0.06 0.40 0.07 -0.55 8.28 8.14 3n9mA1 THR 205 HA 0.25 -0.08 0.21 -0.75 4.39 4.02 3n9mA1 THR 205 HB -0.13 0.02 0.18 -0.04 4.32 4.35 3n9mA1 THR 205 HG23 0.00 -0.01 -0.16 -0.04 1.22 1.02 3n9mA1 HIS 206 H 0.02 0.15 0.28 -0.55 8.41 8.32 3n9mA1 HIS 206 HA 0.07 0.07 0.52 -0.75 4.63 4.54 3n9mA1 HIS 206 HB2 0.09 -0.14 0.25 -0.04 3.26 3.42 3n9mA1 HIS 206 HB3 0.05 0.04 0.11 -0.04 3.20 3.36 3n9mA1 HIS 206 HD2 0.08 -0.06 0.06 -0.04 6.97 7.01 3n9mA1 HIS 206 HE1 0.11 -0.03 0.03 -0.04 7.75 7.80 3n9mA1 GLU 207 H 0.12 -0.05 0.02 -0.55 8.60 8.14 3n9mA1 GLU 207 HA 0.26 0.05 0.33 -0.75 4.29 4.17 3n9mA1 GLU 207 HB2 0.10 -0.02 0.08 -0.04 2.09 2.21 3n9mA1 GLU 207 HB3 0.06 0.02 -0.02 -0.04 1.99 2.01 3n9mA1 GLU 207 HG2 0.30 0.03 0.01 -0.04 2.34 2.64 3n9mA1 GLU 207 HG3 0.25 -0.25 0.17 -0.04 2.34 2.48 3n9mA1 ASP 208 H 0.07 0.09 0.14 -0.55 8.40 8.15 3n9mA1 ASP 208 HA 0.02 0.02 0.36 -0.75 4.63 4.28 3n9mA1 ASP 208 HB2 0.02 0.10 -0.06 -0.04 2.71 2.73 3n9mA1 ASP 208 HB3 0.01 0.02 0.10 -0.04 2.70 2.79 3n9mA1 ASP 209 H -0.06 0.10 -0.04 -0.55 8.40 7.86 3n9mA1 ASP 209 HA -0.06 0.25 0.67 -0.75 4.63 4.74 3n9mA1 ASP 209 HB2 -0.31 -0.02 0.11 -0.04 2.71 2.44 3n9mA1 ASP 209 HB3 -0.19 -0.07 0.03 -0.04 2.70 2.43 3n9mA1 LEU 210 H -0.02 0.34 0.06 -0.55 8.37 8.20 3n9mA1 LEU 210 HA -0.00 0.17 0.80 -0.75 4.35 4.56 3n9mA1 LEU 210 HB2 -0.00 0.00 0.12 -0.04 1.64 1.72 3n9mA1 LEU 210 HB3 -0.00 0.03 0.25 -0.04 1.64 1.88 3n9mA1 LEU 210 HG 0.01 -0.01 -0.01 -0.04 1.64 1.59 3n9mA1 LEU 210 HD13 0.01 -0.00 0.01 -0.04 0.93 0.91 3n9mA1 LEU 210 HD23 0.01 0.01 0.03 -0.04 0.89 0.90 3n9mA1 ILE 211 H -0.02 0.13 -0.40 -0.55 8.25 7.40 3n9mA1 ILE 211 HA -0.01 0.24 0.57 -0.75 4.18 4.22 3n9mA1 ILE 211 HB -0.03 0.00 0.02 -0.04 1.89 1.84 3n9mA1 ILE 211 HG12 -0.03 0.07 -0.08 -0.04 1.49 1.41 3n9mA1 ILE 211 HG13 -0.05 -0.12 -0.16 -0.04 1.21 0.84 3n9mA1 ILE 211 HG23 -0.00 0.01 0.03 -0.04 0.93 0.92 3n9mA1 ILE 211 HD13 -0.05 0.01 -0.02 -0.04 0.88 0.78 3n9mA1 LYS 223 HA 0.01 -0.04 0.22 -0.75 4.32 3.75 3n9mA1 LYS 223 HB2 -0.01 -0.06 0.03 -0.04 1.87 1.79 3n9mA1 LYS 223 HB3 -0.00 0.11 0.03 -0.04 1.79 1.89 3n9mA1 LYS 223 HG2 0.02 -0.01 0.05 -0.04 1.46 1.48 3n9mA1 LYS 223 HG3 0.01 -0.04 0.06 -0.04 1.46 1.45 3n9mA1 LYS 223 HD2 0.01 -0.02 0.02 -0.04 1.69 1.66 3n9mA1 LYS 223 HD3 0.02 0.02 0.03 -0.04 1.68 1.70 3n9mA1 LYS 223 HE2 0.03 -0.02 0.02 -0.04 2.99 2.98 3n9mA1 LYS 223 HE3 0.02 -0.00 0.02 -0.04 2.99 2.99 3n9mA1 PRO 224 HA -0.02 0.07 0.51 -0.51 4.44 4.49 3n9mA1 PRO 224 HB2 0.00 0.07 -0.08 -0.04 2.28 2.24 3n9mA1 PRO 224 HB3 0.01 -0.02 0.11 -0.04 2.02 2.08 3n9mA1 PRO 224 HG2 0.02 0.04 0.04 -0.04 2.03 2.09 3n9mA1 PRO 224 HG3 0.01 0.03 0.04 -0.04 2.03 2.08 3n9mA1 PRO 224 HD2 0.01 0.15 0.13 -0.04 3.68 3.93 3n9mA1 PRO 224 HD3 0.01 0.10 0.17 -0.04 3.65 3.89 3n9mA1 LEU 225 H -0.03 0.10 0.16 -0.55 8.37 8.05 3n9mA1 LEU 225 HA -0.08 0.07 0.70 -0.75 4.35 4.28 3n9mA1 LEU 225 HB2 -0.04 -0.00 0.21 -0.04 1.64 1.77 3n9mA1 LEU 225 HB3 0.01 0.05 0.04 -0.04 1.64 1.70 3n9mA1 LEU 225 HG -0.35 0.00 0.06 -0.04 1.64 1.30 3n9mA1 LEU 225 HD13 -0.21 0.04 0.06 -0.04 0.93 0.78 3n9mA1 LEU 225 HD23 -0.31 0.02 -0.02 -0.04 0.89 0.54 3n9mA1 MET 226 H -0.06 0.15 0.20 -0.55 8.47 8.21 3n9mA1 MET 226 HA -0.03 0.18 0.89 -0.75 4.52 4.80 3n9mA1 MET 226 HB2 -0.08 -0.05 0.07 -0.04 2.15 2.05 3n9mA1 MET 226 HB3 -0.11 0.05 0.21 -0.04 2.03 2.13 3n9mA1 MET 226 HG2 -0.05 0.05 -0.12 -0.04 2.63 2.48 3n9mA1 MET 226 HG3 -0.07 0.18 -0.11 -0.04 2.56 2.52 3n9mA1 MET 226 HE3 -0.06 -0.04 -0.37 -0.04 2.10 1.58 3n9mA1 SER 227 H -0.08 0.10 0.05 -0.55 8.46 7.98 3n9mA1 SER 227 HA -0.17 0.24 0.75 -0.75 4.49 4.55 3n9mA1 SER 227 HB2 -0.18 -0.09 0.14 -0.04 3.95 3.77 3n9mA1 SER 227 HB3 -0.11 0.20 0.07 -0.04 3.93 4.05 3n9mA1 LYS 228 H -0.57 0.18 0.10 -0.55 8.42 7.57 3n9mA1 LYS 228 HA -2.34 0.07 0.31 -0.75 4.32 1.61 3n9mA1 LYS 228 HB2 -0.80 0.05 0.07 -0.04 1.87 1.14 3n9mA1 LYS 228 HB3 -0.47 -0.08 0.10 -0.04 1.79 1.30 3n9mA1 LYS 228 HG2 -0.46 -0.05 -0.24 -0.04 1.46 0.67 3n9mA1 LYS 228 HG3 -0.81 0.03 -0.08 -0.04 1.46 0.55 3n9mA1 LYS 228 HD2 -0.25 0.01 -0.25 -0.04 1.69 1.16 3n9mA1 LYS 228 HD3 -0.13 0.03 -0.13 -0.04 1.68 1.41 3n9mA1 LYS 228 HE2 0.48 -0.02 -0.09 -0.04 2.99 3.32 3n9mA1 LYS 228 HE3 -0.13 -0.05 -0.06 -0.04 2.99 2.70 3n9mA1 LYS 229 H -0.43 0.35 0.28 -0.55 8.42 8.06 3n9mA1 LYS 229 HA -0.19 -0.01 0.82 -0.75 4.32 4.19 3n9mA1 LYS 229 HB2 -0.23 0.06 -0.18 -0.04 1.87 1.48 3n9mA1 LYS 229 HB3 -0.25 0.11 0.08 -0.04 1.79 1.69 3n9mA1 LYS 229 HG2 0.07 -0.16 -0.10 -0.04 1.46 1.23 3n9mA1 LYS 229 HG3 -0.12 -0.10 0.10 -0.04 1.46 1.31 3n9mA1 LYS 229 HD2 -0.24 0.06 -0.01 -0.04 1.69 1.46 3n9mA1 LYS 229 HD3 -0.57 0.09 -0.02 -0.04 1.68 1.13 3n9mA1 LYS 229 HE2 -0.08 -0.13 -0.03 -0.04 2.99 2.72 3n9mA1 LYS 229 HE3 -0.13 -0.04 -0.02 -0.04 2.99 2.76 3n9mA1 LYS 230 H -0.09 -0.09 0.19 -0.55 8.42 7.88 3n9mA1 LYS 230 HA -0.15 0.33 0.84 -0.75 4.32 4.58 3n9mA1 LYS 230 HB2 -0.08 -0.08 -0.07 -0.04 1.87 1.60 3n9mA1 LYS 230 HB3 -0.01 0.08 0.11 -0.04 1.79 1.93 3n9mA1 LYS 230 HG2 0.02 0.33 -0.19 -0.04 1.46 1.58 3n9mA1 LYS 230 HG3 -0.10 -0.18 -0.46 -0.04 1.46 0.68 3n9mA1 LYS 230 HD2 -0.08 -0.05 -0.12 -0.04 1.69 1.40 3n9mA1 LYS 230 HD3 -0.04 0.10 -0.10 -0.04 1.68 1.59 3n9mA1 LYS 230 HE2 -0.00 -0.03 0.01 -0.04 2.99 2.92 3n9mA1 LYS 230 HE3 -0.09 -0.03 -0.11 -0.04 2.99 2.72 3n9mA1 SER 231 H -0.09 -0.06 0.14 -0.55 8.46 7.91 3n9mA1 SER 231 HA -0.27 0.37 0.54 -0.75 4.49 4.37 3n9mA1 SER 231 HB2 0.02 -0.07 -0.17 -0.04 3.95 3.69 3n9mA1 SER 231 HB3 -0.04 -0.03 -0.17 -0.04 3.93 3.65 3n9mA1 HIS 232 H -0.03 0.07 -0.20 -0.55 8.41 7.70 3n9mA1 HIS 232 HA -0.16 0.07 0.32 -0.75 4.63 4.11 3n9mA1 HIS 232 HB2 -0.14 0.08 0.10 -0.04 3.26 3.26 3n9mA1 HIS 232 HB3 -0.18 -0.05 0.03 -0.04 3.20 2.96 3n9mA1 HIS 232 HD2 -0.12 0.04 -0.09 -0.04 6.97 6.76 3n9mA1 HIS 232 HE1 -0.27 0.34 -0.15 -0.04 7.75 7.63 3n9mA1 HIS 233 H -0.62 0.11 -0.91 -0.55 8.41 6.44 3n9mA1 HIS 233 HA -0.29 0.18 0.53 -0.75 4.63 4.29 3n9mA1 HIS 233 HB2 -0.48 0.04 0.12 -0.04 3.26 2.91 3n9mA1 HIS 233 HB3 -0.24 0.04 0.00 -0.04 3.20 2.96 3n9mA1 HIS 233 HD2 -0.28 0.11 0.18 -0.04 6.97 6.94 3n9mA1 HIS 233 HE1 -0.13 0.04 0.04 -0.04 7.75 7.65 3n9mA1 HIS 234 H -0.85 0.22 0.02 -0.55 8.41 7.26 3n9mA1 HIS 234 HA 0.03 0.16 0.78 -0.75 4.63 4.85 3n9mA1 HIS 234 HB2 0.05 -0.04 0.23 -0.04 3.26 3.46 3n9mA1 HIS 234 HB3 0.02 0.09 0.11 -0.04 3.20 3.37 3n9mA1 HIS 234 HD2 0.06 -0.10 0.08 -0.04 6.97 6.96 3n9mA1 HIS 234 HE1 -0.30 -0.09 0.14 -0.04 7.75 7.46 3n9mA1 LYS 235 H 0.01 0.44 -0.87 -0.55 8.42 7.44 3n9mA1 LYS 235 HA 0.07 0.03 0.70 -0.75 4.32 4.37 3n9mA1 LYS 235 HB2 0.05 0.21 0.01 -0.04 1.87 2.10 3n9mA1 LYS 235 HB3 0.08 -0.04 0.12 -0.04 1.79 1.91 3n9mA1 LYS 235 HG2 0.02 -0.09 0.03 -0.04 1.46 1.38 3n9mA1 LYS 235 HG3 -0.01 -0.01 -0.11 -0.04 1.46 1.29 3n9mA1 LYS 235 HD2 0.04 0.21 0.07 -0.04 1.69 1.97 3n9mA1 LYS 235 HD3 0.05 -0.02 0.03 -0.04 1.68 1.70 3n9mA1 LYS 235 HE2 0.00 -0.05 -0.00 -0.04 2.99 2.89 3n9mA1 LYS 235 HE3 0.01 -0.10 -0.02 -0.04 2.99 2.84 3n9mA1 LYS 236 H 0.10 0.17 -0.24 -0.55 8.42 7.90 3n9mA1 LYS 236 HA 0.13 0.13 0.53 -0.75 4.32 4.35 3n9mA1 LYS 236 HB2 0.09 0.00 0.05 -0.04 1.87 1.97 3n9mA1 LYS 236 HB3 0.09 0.03 0.15 -0.04 1.79 2.02 3n9mA1 LYS 236 HG2 0.07 -0.01 0.04 -0.04 1.46 1.52 3n9mA1 LYS 236 HG3 0.06 0.15 0.13 -0.04 1.46 1.76 3n9mA1 LYS 236 HD2 0.04 0.01 0.04 -0.04 1.69 1.74 3n9mA1 LYS 236 HD3 0.05 -0.02 0.04 -0.04 1.68 1.71 3n9mA1 LYS 236 HE2 0.04 -0.02 0.03 -0.04 2.99 2.99 3n9mA1 LYS 236 HE3 0.03 0.05 0.05 -0.04 2.99 3.08 3n9mA1 ASN 237 H 0.11 0.06 -0.76 -0.55 8.53 7.39 3n9mA1 ASN 237 HA 0.06 0.29 0.78 -0.75 4.76 5.13 3n9mA1 ASN 237 HB2 0.11 0.11 0.01 -0.04 2.88 3.06 3n9mA1 ASN 237 HB3 -0.23 -0.01 -0.01 -0.04 2.79 2.50 3n9mA1 ASN 237 HD21 0.00 0.02 -0.04 -0.04 7.03 6.97 3n9mA1 ASN 237 HD22 -0.09 -0.00 -0.04 -0.04 7.74 7.57 3n9mA1 ASP 238 H 0.07 0.18 -0.20 -0.55 8.40 7.90 3n9mA1 ASP 238 HA -0.05 -0.01 0.28 -0.75 4.63 4.10 3n9mA1 ASP 238 HB2 -0.17 0.26 0.15 -0.04 2.71 2.90 3n9mA1 ASP 238 HB3 -0.57 -0.08 0.05 -0.04 2.70 2.05 3n9mA1 PHE 239 H 0.15 0.20 -0.60 -0.55 8.34 7.53 3n9mA1 PHE 239 HA 0.02 -0.00 0.83 -0.75 4.62 4.71 3n9mA1 PHE 239 HB2 0.05 0.08 0.10 -0.04 3.15 3.33 3n9mA1 PHE 239 HB3 -0.02 0.00 0.13 -0.04 3.06 3.13 3n9mA1 PHE 239 HD2 -0.57 0.04 -0.01 -0.04 7.28 6.70 3n9mA1 PHE 239 HE2 -0.14 0.02 -0.01 -0.04 7.38 7.21 3n9mA1 PHE 239 HZ -0.06 0.02 -0.01 -0.04 7.32 7.22 3n9mA1 GLN 240 H 0.36 0.27 -0.21 -0.55 8.47 8.35 3n9mA1 GLN 240 HA 0.41 0.17 0.94 -0.75 4.36 5.12 3n9mA1 GLN 240 HB2 0.21 -0.14 -0.14 -0.04 2.15 2.04 3n9mA1 GLN 240 HB3 0.40 0.05 0.07 -0.04 2.02 2.50 3n9mA1 GLN 240 HG2 0.27 0.04 0.18 -0.04 2.40 2.84 3n9mA1 GLN 240 HG3 0.24 0.00 0.11 -0.04 2.39 2.70 3n9mA1 GLN 240 HE21 0.09 -0.04 0.03 -0.04 6.97 7.01 3n9mA1 GLN 240 HE22 0.13 -0.02 0.05 -0.04 7.69 7.81 3n9mA1 TRP 241 H -0.11 0.02 0.22 -0.55 7.97 7.55 3n9mA1 TRP 241 HA -0.11 0.27 0.69 -0.75 4.62 4.71 3n9mA1 TRP 241 HB2 0.04 0.11 -0.27 -0.04 3.23 3.07 3n9mA1 TRP 241 HB3 0.18 0.03 -0.11 -0.04 3.23 3.30 3n9mA1 TRP 241 HD1 0.05 0.03 -0.25 -0.04 7.22 7.01 3n9mA1 TRP 241 HE1 -0.03 -0.06 -0.13 -0.04 10.20 9.94 3n9mA1 TRP 241 HE3 0.15 0.04 -0.28 -0.04 7.59 7.46 3n9mA1 TRP 241 HZ2 -0.34 -0.05 -0.21 -0.04 7.44 6.79 3n9mA1 TRP 241 HZ3 -0.11 0.10 -0.52 -0.04 7.13 6.55 3n9mA1 TRP 241 HH2 -0.29 0.05 -0.22 -0.04 7.19 6.68 3n9mA1 ILE 242 H -0.38 0.38 0.19 -0.55 8.25 7.89 3n9mA1 ILE 242 HA -0.20 0.24 0.75 -0.75 4.18 4.21 3n9mA1 ILE 242 HB -1.22 0.10 -0.02 -0.04 1.89 0.72 3n9mA1 ILE 242 HG12 -0.70 -0.04 -0.07 -0.04 1.49 0.64 3n9mA1 ILE 242 HG13 -0.61 0.00 -0.18 -0.04 1.21 0.38 3n9mA1 ILE 242 HG23 -1.01 -0.05 -0.18 -0.04 0.93 -0.34 3n9mA1 ILE 242 HD13 -0.15 0.01 0.11 -0.04 0.88 0.81 3n9mA1 GLY 243 H -0.40 0.24 0.12 -0.55 8.43 7.85 3n9mA1 GLY 243 HA2 -0.50 0.17 0.98 -0.51 4.01 4.15 3n9mA1 GLY 243 HA3 -1.20 0.10 0.18 -0.51 4.01 2.59 3n9mA1 CYS 244 H -0.05 0.63 0.13 -0.55 8.50 8.65 3n9mA1 CYS 244 HA 0.17 0.23 0.64 -0.75 4.58 4.87 3n9mA1 CYS 244 HB2 0.25 0.01 0.11 -0.04 2.97 3.30 3n9mA1 CYS 244 HB3 0.09 -0.00 0.18 -0.04 2.97 3.20 3n9mA1 ASP 245 H -0.14 0.68 0.38 -0.55 8.40 8.77 3n9mA1 ASP 245 HA -0.09 0.11 0.35 -0.75 4.63 4.24 3n9mA1 ASP 245 HB2 -0.21 -0.03 0.19 -0.04 2.71 2.61 3n9mA1 ASP 245 HB3 -0.27 -0.01 0.01 -0.04 2.70 2.39 3n9mA1 SER 246 H 0.06 -0.14 -0.59 -0.55 8.46 7.25 3n9mA1 SER 246 HA 0.06 0.30 0.88 -0.75 4.49 4.97 3n9mA1 SER 246 HB2 0.14 0.03 -0.04 -0.04 3.95 4.04 3n9mA1 SER 246 HB3 0.03 -0.21 0.13 -0.04 3.93 3.84 3n9mA1 CYS 247 H 0.04 -0.01 0.08 -0.55 8.50 8.06 3n9mA1 CYS 247 HA 0.03 0.22 0.52 -0.75 4.58 4.59 3n9mA1 CYS 247 HB2 0.04 0.07 0.15 -0.04 2.97 3.18 3n9mA1 CYS 247 HB3 0.05 0.03 0.07 -0.04 2.97 3.08 3n9mA1 GLN 248 H -0.02 0.19 -0.47 -0.55 8.47 7.62 3n9mA1 GLN 248 HA -0.14 0.22 0.23 -0.75 4.36 3.91 3n9mA1 GLN 248 HB2 0.00 0.13 -0.11 -0.04 2.15 2.13 3n9mA1 GLN 248 HB3 -0.02 -0.04 0.09 -0.04 2.02 2.01 3n9mA1 GLN 248 HG2 -0.01 0.11 -0.39 -0.04 2.40 2.07 3n9mA1 GLN 248 HG3 0.00 -0.04 -0.12 -0.04 2.39 2.19 3n9mA1 GLN 248 HE21 -0.02 -0.01 -0.04 -0.04 6.97 6.86 3n9mA1 GLN 248 HE22 -0.00 0.11 -0.08 -0.04 7.69 7.68 3n9mA1 THR 249 H -0.01 -0.11 -0.67 -0.55 8.28 6.94 3n9mA1 THR 249 HA -0.01 0.15 0.60 -0.75 4.39 4.37 3n9mA1 THR 249 HB -0.25 0.03 0.03 -0.04 4.32 4.09 3n9mA1 THR 249 HG23 -0.01 0.04 -0.00 -0.04 1.22 1.20 3n9mA1 TRP 250 H 0.20 0.24 0.22 -0.55 7.97 8.08 3n9mA1 TRP 250 HA 0.06 0.15 0.88 -0.75 4.62 4.96 3n9mA1 TRP 250 HB2 0.08 0.08 0.03 -0.04 3.23 3.38 3n9mA1 TRP 250 HB3 0.49 0.03 -0.12 -0.04 3.23 3.59 3n9mA1 TRP 250 HD1 -0.07 -0.06 0.03 -0.04 7.22 7.08 3n9mA1 TRP 250 HE1 -0.06 -0.05 -0.02 -0.04 10.20 10.03 3n9mA1 TRP 250 HE3 0.20 -0.04 -0.32 -0.04 7.59 7.39 3n9mA1 TRP 250 HZ2 -0.05 -0.07 -0.05 -0.04 7.44 7.24 3n9mA1 TRP 250 HZ3 0.02 0.08 -0.20 -0.04 7.13 6.99 3n9mA1 TRP 250 HH2 -0.03 -0.05 -0.04 -0.04 7.19 7.03 3n9mA1 TYR 251 H 0.25 0.90 0.36 -0.55 8.29 9.24 3n9mA1 TYR 251 HA -0.12 -0.04 0.91 -0.75 4.56 4.55 3n9mA1 TYR 251 HB2 -0.22 0.12 -0.07 -0.04 3.06 2.85 3n9mA1 TYR 251 HB3 -0.15 -0.22 -0.20 -0.04 2.98 2.37 3n9mA1 TYR 251 HD2 0.03 0.04 -0.18 -0.04 7.15 7.00 3n9mA1 TYR 251 HE2 0.06 0.05 -0.14 -0.04 6.85 6.77 3n9mA1 HIS 252 H -0.25 0.01 0.12 -0.55 8.41 7.74 3n9mA1 HIS 252 HA -1.20 0.16 0.49 -0.75 4.63 3.32 3n9mA1 HIS 252 HB2 -0.31 -0.15 0.25 -0.04 3.26 3.01 3n9mA1 HIS 252 HB3 -0.31 0.16 0.22 -0.04 3.20 3.23 3n9mA1 HIS 252 HD2 -0.31 -0.06 -0.08 -0.04 6.97 6.48 3n9mA1 HIS 252 HE1 0.03 0.06 -0.05 -0.04 7.75 7.74 3n9mA1 PHE 253 H -0.12 -0.20 -0.16 -0.55 8.34 7.31 3n9mA1 PHE 253 HA -0.40 0.10 0.30 -0.75 4.62 3.88 3n9mA1 PHE 253 HB2 -0.36 0.06 -0.44 -0.04 3.15 2.37 3n9mA1 PHE 253 HB3 -0.76 -0.05 -0.03 -0.04 3.06 2.17 3n9mA1 PHE 253 HD2 -0.48 -0.24 -0.07 -0.04 7.28 6.46 3n9mA1 PHE 253 HE2 -0.16 0.15 -0.13 -0.04 7.38 7.19 3n9mA1 PHE 253 HZ -0.10 0.08 -0.06 -0.04 7.32 7.19 3n9mA1 LEU 254 H -0.16 0.71 0.21 -0.55 8.37 8.58 3n9mA1 LEU 254 HA 0.02 0.13 0.48 -0.75 4.35 4.23 3n9mA1 LEU 254 HB2 -0.38 0.01 0.19 -0.04 1.64 1.42 3n9mA1 LEU 254 HB3 -0.13 0.03 -0.00 -0.04 1.64 1.50 3n9mA1 LEU 254 HG -0.24 -0.03 0.13 -0.04 1.64 1.46 3n9mA1 LEU 254 HD13 -0.68 0.02 -0.01 -0.04 0.93 0.22 3n9mA1 LEU 254 HD23 -0.04 0.01 0.07 -0.04 0.89 0.89 3n9mA1 CYS 255 H -0.05 -0.11 -0.21 -0.55 8.50 7.58 3n9mA1 CYS 255 HA 0.03 0.24 0.36 -0.75 4.58 4.45 3n9mA1 CYS 255 HB2 0.09 -0.21 0.13 -0.04 2.97 2.93 3n9mA1 CYS 255 HB3 0.11 0.02 0.22 -0.04 2.97 3.27 3n9mA1 SER 256 H -0.05 0.65 -0.53 -0.55 8.46 7.99 3n9mA1 SER 256 HA -0.47 0.13 0.52 -0.75 4.49 3.92 3n9mA1 SER 256 HB2 -0.27 0.03 0.02 -0.04 3.95 3.68 3n9mA1 SER 256 HB3 -0.27 -0.13 -0.08 -0.04 3.93 3.40 3n9mA1 GLY 257 H -0.01 0.30 -0.17 -0.55 8.43 8.01 3n9mA1 GLY 257 HA2 0.02 0.03 0.29 -0.51 4.01 3.84 3n9mA1 GLY 257 HA3 -0.00 0.11 0.65 -0.51 4.01 4.26 3n9mA1 LEU 258 H 0.06 0.00 -0.37 -0.55 8.37 7.52 3n9mA1 LEU 258 HA 0.12 0.10 0.58 -0.75 4.35 4.39 3n9mA1 LEU 258 HB2 0.10 -0.03 -0.06 -0.04 1.64 1.61 3n9mA1 LEU 258 HB3 0.32 0.02 -0.26 -0.04 1.64 1.68 3n9mA1 LEU 258 HG 0.26 -0.03 -0.16 -0.04 1.64 1.68 3n9mA1 LEU 258 HD13 0.38 0.02 -0.16 -0.04 0.93 1.13 3n9mA1 LEU 258 HD23 0.10 0.00 -0.15 -0.04 0.89 0.80 3n9mA1 GLU 259 H -0.05 0.14 0.12 -0.55 8.60 8.25 3n9mA1 GLU 259 HA 0.03 0.22 0.81 -0.75 4.29 4.60 3n9mA1 GLU 259 HB2 -0.14 -0.01 0.06 -0.04 2.09 1.95 3n9mA1 GLU 259 HB3 0.12 -0.05 0.05 -0.04 1.99 2.07 3n9mA1 GLU 259 HG2 0.07 0.11 -0.10 -0.04 2.34 2.38 3n9mA1 GLU 259 HG3 0.07 0.09 -0.00 -0.04 2.34 2.46 3n9mA1 GLN 260 H -0.14 0.16 0.07 -0.55 8.47 8.01 3n9mA1 GLN 260 HA -1.77 0.10 0.21 -0.75 4.36 2.14 3n9mA1 GLN 260 HB2 -0.23 0.05 0.14 -0.04 2.15 2.07 3n9mA1 GLN 260 HB3 -0.04 -0.07 0.20 -0.04 2.02 2.07 3n9mA1 GLN 260 HG2 0.17 0.03 -0.09 -0.04 2.40 2.47 3n9mA1 GLN 260 HG3 -0.22 0.11 0.08 -0.04 2.39 2.31 3n9mA1 GLN 260 HE21 0.01 0.14 -0.07 -0.04 6.97 7.00 3n9mA1 GLN 260 HE22 -0.02 -0.02 -0.01 -0.04 7.69 7.60 3n9mA1 PHE 261 H 0.05 0.15 -0.31 -0.55 8.34 7.67 3n9mA1 PHE 261 HA -0.64 0.10 0.35 -0.75 4.62 3.68 3n9mA1 PHE 261 HB2 0.07 0.02 0.03 -0.04 3.15 3.22 3n9mA1 PHE 261 HB3 0.04 0.18 0.02 -0.04 3.06 3.27 3n9mA1 PHE 261 HD2 -0.02 0.05 -0.07 -0.04 7.28 7.19 3n9mA1 PHE 261 HE2 -0.07 -0.02 -0.06 -0.04 7.38 7.18 3n9mA1 PHE 261 HZ -0.07 0.03 -0.06 -0.04 7.32 7.18 3n9mA1 GLU 262 H -0.69 0.53 -0.22 -0.55 8.60 7.67 3n9mA1 GLU 262 HA -0.56 0.21 0.87 -0.75 4.29 4.06 3n9mA1 GLU 262 HB2 -0.28 0.01 0.08 -0.04 2.09 1.85 3n9mA1 GLU 262 HB3 -0.71 0.04 0.01 -0.04 1.99 1.29 3n9mA1 GLU 262 HG2 -1.02 -0.08 0.06 -0.04 2.34 1.26 3n9mA1 GLU 262 HG3 -0.16 0.05 0.06 -0.04 2.34 2.25 3n9mA1 TYR 263 H -0.17 0.32 -0.26 -0.55 8.29 7.63 3n9mA1 TYR 263 HA -0.05 0.01 0.28 -0.75 4.56 4.05 3n9mA1 TYR 263 HB2 -0.25 0.09 0.08 -0.04 3.06 2.93 3n9mA1 TYR 263 HB3 -0.47 0.06 -0.08 -0.04 2.98 2.45 3n9mA1 TYR 263 HD2 -0.27 -0.01 -0.17 -0.04 7.15 6.66 3n9mA1 TYR 263 HE2 -0.12 -0.02 -0.46 -0.04 6.85 6.21 3n9mA1 TYR 264 H -0.06 0.11 -0.36 -0.55 8.29 7.43 3n9mA1 TYR 264 HA -0.15 0.24 0.56 -0.75 4.56 4.46 3n9mA1 TYR 264 HB2 -0.37 0.03 0.06 -0.04 3.06 2.73 3n9mA1 TYR 264 HB3 -0.20 -0.04 -0.03 -0.04 2.98 2.67 3n9mA1 TYR 264 HD2 -0.67 -0.02 -0.05 -0.04 7.15 6.37 3n9mA1 TYR 264 HE2 -0.20 -0.03 -0.04 -0.04 6.85 6.55 3n9mA1 LEU 265 H -0.51 0.30 -0.40 -0.55 8.37 7.22 3n9mA1 LEU 265 HA -0.47 0.08 0.36 -0.75 4.35 3.57 3n9mA1 LEU 265 HB2 -1.04 0.09 0.09 -0.04 1.64 0.74 3n9mA1 LEU 265 HB3 -0.41 -0.04 -0.01 -0.04 1.64 1.15 3n9mA1 LEU 265 HG -0.60 0.02 0.08 -0.04 1.64 1.10 3n9mA1 LEU 265 HD13 -0.15 -0.02 -0.02 -0.04 0.93 0.70 3n9mA1 LEU 265 HD23 -0.12 0.00 -0.04 -0.04 0.89 0.69 3n9mA1 TYR 266 H -0.13 0.21 -0.20 -0.55 8.29 7.62 3n9mA1 TYR 266 HA 0.06 0.08 0.49 -0.75 4.56 4.45 3n9mA1 TYR 266 HB2 0.08 0.01 -0.12 -0.04 3.06 2.99 3n9mA1 TYR 266 HB3 0.01 0.09 -0.32 -0.04 2.98 2.71 3n9mA1 TYR 266 HD2 0.09 0.05 -0.33 -0.04 7.15 6.92 3n9mA1 TYR 266 HE2 0.03 -0.02 -0.11 -0.04 6.85 6.72 3n9mA1 GLU 267 H -0.10 0.44 0.26 -0.55 8.60 8.66 3n9mA1 GLU 267 HA -0.53 0.15 0.75 -0.75 4.29 3.90 3n9mA1 GLU 267 HB2 -0.95 -0.03 -0.04 -0.04 2.09 1.03 3n9mA1 GLU 267 HB3 -0.30 0.00 -0.01 -0.04 1.99 1.65 3n9mA1 GLU 267 HG2 -0.25 -0.01 -0.06 -0.04 2.34 1.97 3n9mA1 GLU 267 HG3 -0.61 0.02 0.06 -0.04 2.34 1.77 3n9mA1 LYS 268 H -0.15 0.37 0.17 -0.55 8.42 8.27 3n9mA1 LYS 268 HA -0.24 0.19 0.92 -0.75 4.32 4.44 3n9mA1 LYS 268 HB2 -0.21 -0.06 0.23 -0.04 1.87 1.79 3n9mA1 LYS 268 HB3 -0.58 0.00 -0.02 -0.04 1.79 1.15 3n9mA1 LYS 268 HG2 -0.14 0.05 0.03 -0.04 1.46 1.35 3n9mA1 LYS 268 HG3 -0.12 -0.01 -0.10 -0.04 1.46 1.18 3n9mA1 LYS 268 HD2 -0.02 -0.01 0.01 -0.04 1.69 1.63 3n9mA1 LYS 268 HD3 0.03 0.01 -0.02 -0.04 1.68 1.66 3n9mA1 LYS 268 HE2 -0.03 -0.00 -0.02 -0.04 2.99 2.91 3n9mA1 LYS 268 HE3 0.02 0.00 -0.01 -0.04 2.99 2.96 3n9mA1 PHE 269 H -0.19 0.27 0.10 -0.55 8.34 7.97 3n9mA1 PHE 269 HA -0.44 0.12 0.81 -0.75 4.62 4.35 3n9mA1 PHE 269 HB2 -0.13 0.09 -0.13 -0.04 3.15 2.94 3n9mA1 PHE 269 HB3 -0.23 0.19 0.08 -0.04 3.06 3.07 3n9mA1 PHE 269 HD2 -0.17 0.04 -0.35 -0.04 7.28 6.76 3n9mA1 PHE 269 HE2 -0.16 -0.02 -0.19 -0.04 7.38 6.96 3n9mA1 PHE 269 HZ -0.35 0.13 -0.06 -0.04 7.32 7.00 3n9mA1 PHE 270 H -0.80 0.23 0.10 -0.55 8.34 7.32 3n9mA1 PHE 270 HA -0.48 -0.01 0.93 -0.75 4.62 4.31 3n9mA1 PHE 270 HB2 -0.40 0.04 0.06 -0.04 3.15 2.81 3n9mA1 PHE 270 HB3 -0.36 -0.01 -0.13 -0.04 3.06 2.52 3n9mA1 PHE 270 HD2 -0.22 -0.08 -0.39 -0.04 7.28 6.56 3n9mA1 PHE 270 HE2 -0.11 0.07 -0.24 -0.04 7.38 7.06 3n9mA1 PHE 270 HZ -0.09 0.03 -0.12 -0.04 7.32 7.10 3n9mA1 CYS 271 H -0.39 0.03 0.06 -0.55 8.50 7.65 3n9mA1 CYS 271 HA -0.60 0.23 0.37 -0.75 4.58 3.83 3n9mA1 CYS 271 HB2 -0.40 0.12 0.12 -0.04 2.97 2.77 3n9mA1 CYS 271 HB3 -0.04 0.03 0.06 -0.04 2.97 2.98 3n9mA1 PRO 272 HA -0.10 0.10 0.44 -0.51 4.44 4.36 3n9mA1 PRO 272 HB2 -0.04 -0.00 0.08 -0.04 2.28 2.28 3n9mA1 PRO 272 HB3 -0.04 0.06 0.09 -0.04 2.02 2.09 3n9mA1 PRO 272 HG2 -0.08 0.05 0.03 -0.04 2.03 1.99 3n9mA1 PRO 272 HG3 -0.06 0.07 0.13 -0.04 2.03 2.13 3n9mA1 PRO 272 HD2 -0.28 0.04 0.21 -0.04 3.68 3.61 3n9mA1 PRO 272 HD3 -0.16 0.32 0.28 -0.04 3.65 4.04 3n9mA1 LYS 273 H -0.02 0.10 -0.22 -0.55 8.42 7.72 3n9mA1 LYS 273 HA 0.00 0.13 0.34 -0.75 4.32 4.04 3n9mA1 LYS 273 HB2 0.07 -0.05 0.00 -0.04 1.87 1.85 3n9mA1 LYS 273 HB3 0.05 0.05 0.11 -0.04 1.79 1.96 3n9mA1 LYS 273 HG2 0.04 0.04 0.01 -0.04 1.46 1.51 3n9mA1 LYS 273 HG3 0.05 -0.06 0.03 -0.04 1.46 1.43 3n9mA1 LYS 273 HD2 0.12 -0.02 0.01 -0.04 1.69 1.76 3n9mA1 LYS 273 HD3 0.06 0.02 0.02 -0.04 1.68 1.74 3n9mA1 LYS 273 HE2 0.10 0.02 0.02 -0.04 2.99 3.08 3n9mA1 LYS 273 HE3 0.07 0.04 0.03 -0.04 2.99 3.08 3n9mA1 CYS 274 H -0.13 0.44 -0.53 -0.55 8.50 7.73 3n9mA1 CYS 274 HA -0.30 0.21 0.90 -0.75 4.58 4.62 3n9mA1 CYS 274 HB2 -0.15 -0.00 0.01 -0.04 2.97 2.79 3n9mA1 CYS 274 HB3 -0.30 0.02 -0.03 -0.04 2.97 2.62 3n9mA1 VAL 275 H -0.22 0.35 -0.02 -0.55 8.24 7.79 3n9mA1 VAL 275 HA -0.36 0.18 0.32 -0.75 4.13 3.53 3n9mA1 VAL 275 HB -0.17 0.12 0.12 -0.04 2.12 2.15 3n9mA1 VAL 275 HG13 -0.36 -0.02 -0.28 -0.04 0.97 0.28 3n9mA1 VAL 275 HG23 -0.18 0.03 -0.06 -0.04 0.95 0.70 3n9mA1 PRO 276 HA -0.12 0.02 0.34 -0.51 4.44 4.18 3n9mA1 PRO 276 HB2 0.16 0.03 -0.05 -0.04 2.28 2.39 3n9mA1 PRO 276 HB3 0.01 0.00 0.02 -0.04 2.02 2.01 3n9mA1 PRO 276 HG2 0.01 0.06 -0.05 -0.04 2.03 2.02 3n9mA1 PRO 276 HG3 -0.04 -0.00 0.02 -0.04 2.03 1.97 3n9mA1 PRO 276 HD2 -0.15 -0.01 -0.54 -0.04 3.68 2.95 3n9mA1 PRO 276 HD3 -0.12 0.17 0.07 -0.04 3.65 3.73 3n9mA1 HIS 277 H -0.54 0.35 -0.25 -0.55 8.41 7.42 3n9mA1 HIS 277 HA -0.13 0.20 0.89 -0.75 4.63 4.84 3n9mA1 HIS 277 HB2 -0.11 -0.01 0.07 -0.04 3.26 3.18 3n9mA1 HIS 277 HB3 -0.09 -0.03 -0.02 -0.04 3.20 3.01 3n9mA1 HIS 277 HD2 -0.11 -0.02 -0.08 -0.04 6.97 6.71 3n9mA1 HIS 277 HE1 -0.06 0.25 0.18 -0.04 7.75 8.08 3n9mA1 THR 278 H -0.57 0.34 0.01 -0.55 8.28 7.51 3n9mA1 THR 278 HA -0.44 0.13 0.73 -0.75 4.39 4.06 3n9mA1 THR 278 HB -1.79 -0.05 -0.07 -0.04 4.32 2.36 3n9mA1 THR 278 HG23 -0.56 -0.02 -0.08 -0.04 1.22 0.51 3n9mA1 GLY 279 H -0.38 0.47 0.02 -0.55 8.43 7.98 3n9mA1 GLY 279 HA2 -0.27 0.00 0.28 -0.51 4.01 3.51 3n9mA1 GLY 279 HA3 -0.20 0.16 0.76 -0.51 4.01 4.22 3n9mA1 HIS 280 H -0.02 0.10 0.11 -0.55 8.41 8.05 3n9mA1 HIS 280 HA -0.06 0.07 0.67 -0.75 4.63 4.55 3n9mA1 HIS 280 HB2 -0.01 0.02 0.09 -0.04 3.26 3.33 3n9mA1 HIS 280 HB3 -0.04 0.02 0.07 -0.04 3.20 3.20 3n9mA1 HIS 280 HD2 -0.02 0.01 0.01 -0.04 6.97 6.93 3n9mA1 HIS 280 HE1 -0.03 -0.02 -0.03 -0.04 7.75 7.63 3n9mA1 SER 281 H -0.09 0.04 0.15 -0.55 8.46 8.01 3n9mA1 SER 281 HA -0.14 0.05 0.31 -0.75 4.49 3.95 3n9mA1 SER 281 HB2 -1.13 -0.04 0.03 -0.04 3.95 2.77 3n9mA1 SER 281 HB3 -0.55 0.25 0.14 -0.04 3.93 3.74 3n9mA1 ILE 282 H -0.18 0.32 0.28 -0.55 8.25 8.12 3n9mA1 ILE 282 HA 0.09 0.16 0.83 -0.75 4.18 4.50 3n9mA1 ILE 282 HB -0.04 -0.10 0.21 -0.04 1.89 1.92 3n9mA1 ILE 282 HG12 0.07 -0.02 0.02 -0.04 1.49 1.52 3n9mA1 ILE 282 HG13 0.08 0.03 0.03 -0.04 1.21 1.31 3n9mA1 ILE 282 HG23 0.02 -0.01 -0.12 -0.04 0.93 0.78 3n9mA1 ILE 282 HD13 0.21 0.02 -0.08 -0.04 0.88 0.99 3n9mA1 ARG 283 H 0.16 0.15 0.15 -0.55 8.46 8.37 3n9mA1 ARG 283 HA 0.29 0.08 0.54 -0.75 4.34 4.50 3n9mA1 ARG 283 HB2 0.23 0.14 -0.03 -0.04 1.90 2.20 3n9mA1 ARG 283 HB3 0.23 0.03 0.07 -0.04 1.80 2.09 3n9mA1 ARG 283 HG2 0.29 0.01 -0.02 -0.04 1.67 1.90 3n9mA1 ARG 283 HG3 0.16 -0.01 0.08 -0.04 1.67 1.86 3n9mA1 ARG 283 HD2 0.19 -0.04 -0.05 -0.04 3.22 3.28 3n9mA1 ARG 283 HD3 0.13 -0.01 -0.01 -0.04 3.22 3.30 3n9mA1 TYR 284 H 0.50 0.57 0.29 -0.55 8.29 9.09 3n9mA1 TYR 284 HA 0.13 -0.03 0.51 -0.75 4.56 4.42 3n9mA1 TYR 284 HB2 0.16 -0.01 0.10 -0.04 3.06 3.26 3n9mA1 TYR 284 HB3 0.18 0.11 0.05 -0.04 2.98 3.28 3n9mA1 TYR 284 HD2 -0.01 0.20 -0.12 -0.04 7.15 7.18 3n9mA1 TYR 284 HE2 -0.06 0.09 -0.28 -0.04 6.85 6.56 3n9mA1 LYS 285 H 0.22 0.07 0.19 -0.55 8.42 8.35 3n9mA1 LYS 285 HA 0.20 0.07 0.57 -0.75 4.32 4.41 3n9mA1 LYS 285 HB2 0.15 -0.02 0.15 -0.04 1.87 2.11 3n9mA1 LYS 285 HB3 0.15 0.04 -0.11 -0.04 1.79 1.83 3n9mA1 LYS 285 HG2 0.09 0.01 0.02 -0.04 1.46 1.54 3n9mA1 LYS 285 HG3 0.11 0.03 0.05 -0.04 1.46 1.61 3n9mA1 LYS 285 HD2 0.07 -0.02 0.05 -0.04 1.69 1.76 3n9mA1 LYS 285 HD3 0.07 -0.00 0.02 -0.04 1.68 1.73 3n9mA1 LYS 285 HE2 0.05 -0.01 0.01 -0.04 2.99 3.00 3n9mA1 LYS 285 HE3 0.06 0.02 0.01 -0.04 2.99 3.04 3n9mA1 VAL 286 H 0.17 0.12 0.09 -0.55 8.24 8.07 3n9mA1 VAL 286 HA 0.52 0.12 0.50 -0.75 4.13 4.52 3n9mA1 VAL 286 HB 0.05 -0.02 0.20 -0.04 2.12 2.32 3n9mA1 VAL 286 HG13 0.02 -0.01 -0.09 -0.04 0.97 0.85 3n9mA1 VAL 286 HG23 -0.13 0.01 0.01 -0.04 0.95 0.80 3n9mA1 VAL 287 H 0.28 0.52 0.23 -0.55 8.24 8.72 3n9mA1 VAL 287 HA 0.12 0.06 0.44 -0.75 4.13 4.00 3n9mA1 VAL 287 HB 0.10 0.08 -0.28 -0.04 2.12 1.98 3n9mA1 VAL 287 HG13 0.08 -0.04 -0.09 -0.04 0.97 0.88 3n9mA1 VAL 287 HG23 0.15 0.05 -0.09 -0.04 0.95 1.02 3n9mA1 ALA 288 H 0.12 0.52 -0.00 -0.55 8.40 8.50 3n9mA1 ALA 288 HA -0.00 0.23 0.86 -0.75 4.34 4.67 3n9mA1 ALA 288 HB3 -0.26 0.02 -0.12 -0.04 1.41 1.01 3n9mA1 PRO 289 HA -0.00 0.09 0.34 -0.51 4.44 4.36 3n9mA1 PRO 289 HB2 0.03 -0.02 -0.03 -0.04 2.28 2.21 3n9mA1 PRO 289 HB3 -0.07 0.04 0.10 -0.04 2.02 2.05 3n9mA1 PRO 289 HG2 0.05 0.06 0.01 -0.04 2.03 2.11 3n9mA1 PRO 289 HG3 0.03 0.11 -0.04 -0.04 2.03 2.09 3n9mA1 PRO 289 HD2 0.22 0.11 0.08 -0.04 3.68 4.05 3n9mA1 PRO 289 HD3 0.10 0.31 -0.40 -0.04 3.65 3.61 3n9mA1 HIS 290 H -0.14 0.18 -0.57 -0.55 8.41 7.33 3n9mA1 HIS 290 HA 0.00 -0.06 0.58 -0.75 4.63 4.40 3n9mA1 HIS 290 HB2 -0.00 -0.08 0.13 -0.04 3.26 3.27 3n9mA1 HIS 290 HB3 0.00 -0.02 -0.00 -0.04 3.20 3.13 3n9mA1 HIS 290 HD2 -0.06 0.09 -0.44 -0.04 6.97 6.51 3n9mA1 HIS 290 HE1 0.01 0.07 0.10 -0.04 7.75 7.89 3n9mA1 ARG 291 H -0.21 0.56 -0.31 -0.55 8.46 7.94 3n9mA1 ARG 291 HA -0.32 0.12 0.93 -0.75 4.34 4.32 3n9mA1 ARG 291 HB2 -0.27 0.10 -0.19 -0.04 1.90 1.49 3n9mA1 ARG 291 HB3 -0.25 -0.13 -0.03 -0.04 1.80 1.36 3n9mA1 ARG 291 HG2 -0.91 -0.18 -0.51 -0.04 1.67 0.02 3n9mA1 ARG 291 HG3 -0.37 0.10 -0.22 -0.04 1.67 1.15 3n9mA1 ARG 291 HD2 -0.16 0.14 -0.07 -0.04 3.22 3.09 3n9mA1 ARG 291 HD3 -0.05 0.11 -0.28 -0.04 3.22 2.95 3n9mA1 TYR 292 H -0.42 0.14 0.12 -0.55 8.29 7.58 3n9mA1 TYR 292 HA 0.11 0.36 0.56 -0.75 4.56 4.83 3n9mA1 TYR 292 HB2 -0.07 -0.06 0.09 -0.04 3.06 2.98 3n9mA1 TYR 292 HB3 -0.01 0.13 0.01 -0.04 2.98 3.07 3n9mA1 TYR 292 HD2 0.00 0.13 -0.04 -0.04 7.15 7.21 3n9mA1 TYR 292 HE2 -0.04 -0.07 -0.01 -0.04 6.85 6.69 3n9mA1 ARG 293 H -0.13 0.08 -0.18 -0.55 8.46 7.67 3n9mA1 ARG 293 HA -0.77 0.16 0.73 -0.75 4.34 3.71 3n9mA1 ARG 293 HB2 -0.38 0.01 0.17 -0.04 1.90 1.65 3n9mA1 ARG 293 HB3 -0.95 -0.04 0.14 -0.04 1.80 0.91 3n9mA1 ARG 293 HG2 -0.18 0.07 -0.03 -0.04 1.67 1.49 3n9mA1 ARG 293 HG3 -0.12 -0.04 -0.00 -0.04 1.67 1.47 3n9mA1 ARG 293 HD2 -0.06 0.05 0.00 -0.04 3.22 3.17 3n9mA1 ARG 293 HD3 -0.13 -0.02 0.02 -0.04 3.22 3.05 3n9mA1 TRP 294 H -0.27 0.49 -0.25 -0.55 7.97 7.39 3n9mA1 TRP 294 HA -0.17 0.24 0.19 -0.75 4.62 4.13 3n9mA1 TRP 294 HB2 0.01 -0.14 -0.08 -0.04 3.23 2.97 3n9mA1 TRP 294 HB3 -0.02 0.19 0.03 -0.04 3.23 3.39 3n9mA1 TRP 294 HD1 0.17 0.23 0.02 -0.04 7.22 7.60 3n9mA1 TRP 294 HE1 0.46 -0.06 -0.03 -0.04 10.20 10.53 3n9mA1 TRP 294 HE3 0.15 -0.08 -0.47 -0.04 7.59 7.15 3n9mA1 TRP 294 HZ2 -0.04 -0.04 -0.06 -0.04 7.44 7.25 3n9mA1 TRP 294 HZ3 0.21 0.20 -0.32 -0.04 7.13 7.17 3n9mA1 TRP 294 HH2 0.03 0.02 0.02 -0.04 7.19 7.21 3n9mA1 TYR 295 H -1.40 0.02 -0.59 -0.55 8.29 5.77 3n9mA1 TYR 295 HA 0.07 0.26 0.56 -0.75 4.56 4.69 3n9mA1 TYR 295 HB2 -0.53 -0.00 0.01 -0.04 3.06 2.50 3n9mA1 TYR 295 HB3 -1.09 0.03 -0.00 -0.04 2.98 1.88 3n9mA1 TYR 295 HD2 -1.16 -0.00 -0.12 -0.04 7.15 5.83 3n9mA1 TYR 295 HE2 -0.42 0.02 0.01 -0.04 6.85 6.41 3n9mA1 SER 296 H -0.60 0.38 -0.13 -0.55 8.46 7.57 3n9mA1 SER 296 HA 0.04 0.18 0.57 -0.75 4.49 4.53 3n9mA1 SER 296 HB2 -0.20 0.01 0.07 -0.04 3.95 3.78 3n9mA1 SER 296 HB3 -0.22 0.04 0.12 -0.04 3.93 3.82 3n9mA1 PRO 297 HA 0.05 0.14 0.49 -0.51 4.44 4.61 3n9mA1 PRO 297 HB2 0.05 0.02 0.00 -0.04 2.28 2.31 3n9mA1 PRO 297 HB3 0.06 0.06 0.11 -0.04 2.02 2.21 3n9mA1 PRO 297 HG2 0.08 0.03 0.11 -0.04 2.03 2.21 3n9mA1 PRO 297 HG3 0.09 0.11 0.11 -0.04 2.03 2.30 3n9mA1 PRO 297 HD2 0.07 0.03 0.26 -0.04 3.68 4.00 3n9mA1 PRO 297 HD3 0.10 0.43 0.44 -0.04 3.65 4.58 3n9mA1 ASN 298 H 0.03 0.15 -0.11 -0.55 8.53 8.06 3n9mA1 ASN 298 HA 0.08 0.11 0.41 -0.75 4.76 4.61 3n9mA1 ASN 298 HB2 0.03 0.01 -0.02 -0.04 2.88 2.86 3n9mA1 ASN 298 HB3 0.06 0.03 0.11 -0.04 2.79 2.95 3n9mA1 ASN 298 HD21 0.03 0.02 0.02 -0.04 7.03 7.06 3n9mA1 ASN 298 HD22 0.03 0.02 0.04 -0.04 7.74 7.78 3n9mA1 GLU 299 H 0.00 0.24 -0.76 -0.55 8.60 7.53 3n9mA1 GLU 299 HA -0.06 0.18 0.86 -0.75 4.29 4.52 3n9mA1 GLU 299 HB2 -0.14 0.20 -0.02 -0.04 2.09 2.08 3n9mA1 GLU 299 HB3 -0.15 -0.03 0.08 -0.04 1.99 1.86 3n9mA1 GLU 299 HG2 -0.06 0.07 -0.19 -0.04 2.34 2.12 3n9mA1 GLU 299 HG3 -0.09 -0.06 -0.16 -0.04 2.34 1.99 3n9mA1 LYS 300 H 0.09 0.41 -0.17 -0.55 8.42 8.19 3n9mA1 LYS 300 HA 0.09 0.04 0.30 -0.75 4.32 3.99 3n9mA1 LYS 300 HB2 0.08 -0.02 0.12 -0.04 1.87 2.01 3n9mA1 LYS 300 HB3 0.12 0.04 0.09 -0.04 1.79 2.00 3n9mA1 LYS 300 HG2 0.14 -0.03 -0.03 -0.04 1.46 1.49 3n9mA1 LYS 300 HG3 0.18 0.07 0.16 -0.04 1.46 1.82 3n9mA1 LYS 300 HD2 0.08 0.02 0.06 -0.04 1.69 1.81 3n9mA1 LYS 300 HD3 0.08 -0.05 0.02 -0.04 1.68 1.68 3n9mA1 LYS 300 HE2 0.07 -0.05 0.03 -0.04 2.99 3.00 3n9mA1 LYS 300 HE3 0.09 0.09 0.09 -0.04 2.99 3.22 3n9mA1 HIS 301 H 0.23 0.02 -0.59 -0.55 8.41 7.53 3n9mA1 HIS 301 HA 0.05 0.18 0.62 -0.75 4.63 4.72 3n9mA1 HIS 301 HB2 0.02 -0.02 0.06 -0.04 3.26 3.29 3n9mA1 HIS 301 HB3 0.03 -0.03 -0.04 -0.04 3.20 3.12 3n9mA1 HIS 301 HD2 0.01 -0.03 -0.11 -0.04 6.97 6.79 3n9mA1 HIS 301 HE1 0.00 0.16 0.07 -0.04 7.75 7.94 3n9mA1 LEU 302 H -0.19 0.31 -0.26 -0.55 8.37 7.68 3n9mA1 LEU 302 HA -0.22 0.04 0.47 -0.75 4.35 3.89 3n9mA1 LEU 302 HB2 -0.14 0.13 0.05 -0.04 1.64 1.64 3n9mA1 LEU 302 HB3 -0.15 -0.11 0.13 -0.04 1.64 1.47 3n9mA1 LEU 302 HG -0.54 -0.07 0.06 -0.04 1.64 1.05 3n9mA1 LEU 302 HD13 -0.13 -0.00 0.05 -0.04 0.93 0.80 3n9mA1 LEU 302 HD23 -0.41 0.00 -0.05 -0.04 0.89 0.39 3n9mA1 GLY 303 H -0.05 0.01 0.11 -0.55 8.43 7.95 3n9mA1 GLY 303 HA2 -0.00 0.07 0.30 -0.51 4.01 3.86 3n9mA1 GLY 303 HA3 -0.01 -0.03 0.29 -0.51 4.01 3.75 3n9mA1 ILE 304 H 0.04 0.07 0.14 -0.55 8.25 7.95 3n9mA1 ILE 304 HA 0.16 0.19 0.54 -0.75 4.18 4.32 3n9mA1 ILE 304 HB 0.15 -0.01 0.13 -0.04 1.89 2.12 3n9mA1 ILE 304 HG12 -0.03 0.03 0.01 -0.04 1.49 1.46 3n9mA1 ILE 304 HG13 -0.01 -0.03 0.09 -0.04 1.21 1.21 3n9mA1 ILE 304 HG23 0.24 -0.00 -0.14 -0.04 0.93 0.99 3n9mA1 ILE 304 HD13 -0.00 -0.00 -0.04 -0.04 0.88 0.80 3n9mA1 GLU 305 H -0.08 0.67 0.38 -0.55 8.60 9.03 3n9mA1 GLU 305 HA -0.19 0.21 0.59 -0.75 4.29 4.14 3n9mA1 GLU 305 HB2 -0.78 -0.10 0.13 -0.04 2.09 1.29 3n9mA1 GLU 305 HB3 -0.95 -0.00 0.11 -0.04 1.99 1.11 3n9mA1 GLU 305 HG2 -0.28 0.01 -0.11 -0.04 2.34 1.92 3n9mA1 GLU 305 HG3 -0.32 0.25 0.22 -0.04 2.34 2.44 3n9mA1 VAL 306 H -0.24 0.69 0.32 -0.55 8.24 8.46 3n9mA1 VAL 306 HA -1.95 0.04 0.07 -0.75 4.13 1.55 3n9mA1 VAL 306 HB -0.22 0.03 0.05 -0.04 2.12 1.94 3n9mA1 VAL 306 HG13 -0.90 -0.02 -0.18 -0.04 0.97 -0.17 3n9mA1 VAL 306 HG23 -0.19 0.07 -0.35 -0.04 0.95 0.44 3n9mA1 GLY 307 H 0.20 0.04 -0.25 -0.55 8.43 7.87 3n9mA1 GLY 307 HA2 0.01 0.10 0.51 -0.51 4.01 4.12 3n9mA1 GLY 307 HA3 0.21 0.01 0.26 -0.51 4.01 3.98 3n9mA1 SER 308 H 0.11 0.28 -0.24 -0.55 8.46 8.06 3n9mA1 SER 308 HA 0.27 0.13 0.16 -0.75 4.49 4.30 3n9mA1 SER 308 HB2 0.04 0.23 0.06 -0.04 3.95 4.24 3n9mA1 SER 308 HB3 -0.02 -0.05 -0.22 -0.04 3.93 3.60 3n9mA1 LYS 309 H -0.21 0.25 0.25 -0.55 8.42 8.16 3n9mA1 LYS 309 HA -0.18 0.11 0.46 -0.75 4.32 3.95 3n9mA1 LYS 309 HB2 -1.70 0.01 0.22 -0.04 1.87 0.36 3n9mA1 LYS 309 HB3 -0.42 0.02 0.23 -0.04 1.79 1.58 3n9mA1 LYS 309 HG2 -0.20 -0.05 -0.19 -0.04 1.46 0.97 3n9mA1 LYS 309 HG3 -0.44 0.05 0.06 -0.04 1.46 1.08 3n9mA1 LYS 309 HD2 -0.37 0.04 0.06 -0.04 1.69 1.38 3n9mA1 LYS 309 HD3 -0.18 -0.05 -0.02 -0.04 1.68 1.38 3n9mA1 LYS 309 HE2 -0.09 -0.01 0.01 -0.04 2.99 2.86 3n9mA1 LYS 309 HE3 -0.08 -0.04 -0.02 -0.04 2.99 2.81 3n9mA1 THR 310 H -0.03 0.36 -0.14 -0.55 8.28 7.92 3n9mA1 THR 310 HA -0.01 0.05 0.29 -0.75 4.39 3.97 3n9mA1 THR 310 HB 0.12 -0.04 -0.04 -0.04 4.32 4.33 3n9mA1 THR 310 HG23 0.02 0.01 -0.14 -0.04 1.22 1.07 3n9mA1 TRP 311 H 0.24 0.11 -0.38 -0.55 7.97 7.40 3n9mA1 TRP 311 HA -0.04 -0.02 0.26 -0.75 4.62 4.06 3n9mA1 TRP 311 HB2 -0.04 -0.01 -0.13 -0.04 3.23 3.01 3n9mA1 TRP 311 HB3 -0.06 0.21 -0.17 -0.04 3.23 3.16 3n9mA1 TRP 311 HD1 -0.04 0.01 -0.22 -0.04 7.22 6.94 3n9mA1 TRP 311 HE1 -0.04 -0.04 -0.11 -0.04 10.20 9.96 3n9mA1 TRP 311 HE3 -0.32 0.07 -0.39 -0.04 7.59 6.92 3n9mA1 TRP 311 HZ2 -0.81 -0.12 -0.07 -0.04 7.44 6.40 3n9mA1 TRP 311 HZ3 -1.54 -0.03 -0.12 -0.04 7.13 5.40 3n9mA1 TRP 311 HH2 -2.40 -0.07 -0.09 -0.04 7.19 4.59 3n9mA1 ILE 312 H 0.30 0.58 -0.25 -0.55 8.25 8.32 3n9mA1 ILE 312 HA 0.12 -0.01 0.29 -0.75 4.18 3.82 3n9mA1 ILE 312 HB 0.23 0.05 0.14 -0.04 1.89 2.28 3n9mA1 ILE 312 HG12 0.34 -0.12 -0.07 -0.04 1.49 1.60 3n9mA1 ILE 312 HG13 0.39 0.27 -0.11 -0.04 1.21 1.72 3n9mA1 ILE 312 HG23 0.21 0.05 -0.21 -0.04 0.93 0.94 3n9mA1 ILE 312 HD13 0.36 0.00 -0.03 -0.04 0.88 1.17 3n9mA1 GLU 313 H 0.03 0.61 -0.04 -0.55 8.60 8.65 3n9mA1 GLU 313 HA -0.02 0.00 0.35 -0.75 4.29 3.87 3n9mA1 GLU 313 HB2 -0.04 0.10 0.13 -0.04 2.09 2.24 3n9mA1 GLU 313 HB3 -0.04 -0.05 -0.01 -0.04 1.99 1.85 3n9mA1 GLU 313 HG2 0.00 -0.04 0.04 -0.04 2.34 2.30 3n9mA1 GLU 313 HG3 0.01 0.12 0.09 -0.04 2.34 2.53 3n9mA1 ASP 314 H -0.14 0.50 -0.22 -0.55 8.40 8.00 3n9mA1 ASP 314 HA -0.15 0.00 0.45 -0.75 4.63 4.17 3n9mA1 ASP 314 HB2 -0.15 0.07 0.09 -0.04 2.71 2.68 3n9mA1 ASP 314 HB3 -0.34 0.10 0.04 -0.04 2.70 2.46 3n9mA1 PHE 315 H -0.44 0.65 -0.14 -0.55 8.34 7.86 3n9mA1 PHE 315 HA -0.70 -0.05 0.35 -0.75 4.62 3.46 3n9mA1 PHE 315 HB2 -2.19 0.04 0.06 -0.04 3.15 1.02 3n9mA1 PHE 315 HB3 -0.82 0.17 0.15 -0.04 3.06 2.52 3n9mA1 PHE 315 HD2 -0.66 0.03 -0.09 -0.04 7.28 6.51 3n9mA1 PHE 315 HE2 -0.87 -0.01 -0.11 -0.04 7.38 6.35 3n9mA1 PHE 315 HZ -1.21 0.01 -0.10 -0.04 7.32 5.97 3n9mA1 ILE 316 H -0.19 0.58 -0.33 -0.55 8.25 7.76 3n9mA1 ILE 316 HA -0.31 -0.03 0.42 -0.75 4.18 3.51 3n9mA1 ILE 316 HB -0.09 0.24 0.11 -0.04 1.89 2.10 3n9mA1 ILE 316 HG12 0.01 -0.09 -0.05 -0.04 1.49 1.31 3n9mA1 ILE 316 HG13 0.01 0.24 -0.04 -0.04 1.21 1.38 3n9mA1 ILE 316 HG23 -0.06 -0.03 -0.06 -0.04 0.93 0.74 3n9mA1 ILE 316 HD13 0.04 -0.02 -0.08 -0.04 0.88 0.78 3n9mA1 THR 317 H -0.21 0.45 -0.31 -0.55 8.28 7.66 3n9mA1 THR 317 HA -0.12 0.06 0.50 -0.75 4.39 4.07 3n9mA1 THR 317 HB -0.10 -0.08 0.11 -0.04 4.32 4.21 3n9mA1 THR 317 HG23 -0.10 0.04 0.07 -0.04 1.22 1.19 3n9mA1 ARG 318 H -0.34 0.31 -0.34 -0.55 8.46 7.53 3n9mA1 ARG 318 HA -0.14 0.20 0.91 -0.75 4.34 4.55 3n9mA1 ARG 318 HB2 -0.12 -0.04 0.05 -0.04 1.90 1.74 3n9mA1 ARG 318 HB3 -0.16 0.01 -0.12 -0.04 1.80 1.48 3n9mA1 ARG 318 HG2 -0.36 0.09 0.01 -0.04 1.67 1.37 3n9mA1 ARG 318 HG3 -0.31 -0.01 -0.34 -0.04 1.67 0.97 3n9mA1 ARG 318 HD2 -0.09 -0.03 -0.08 -0.04 3.22 2.98 3n9mA1 ARG 318 HD3 -0.16 -0.00 -0.09 -0.04 3.22 2.93 3n9mA1 GLU 319 H -0.51 0.38 -0.01 -0.55 8.60 7.91 3n9mA1 GLU 319 HA -0.51 0.02 0.28 -0.75 4.29 3.33 3n9mA1 GLU 319 HB2 -0.36 -0.06 -0.01 -0.04 2.09 1.62 3n9mA1 GLU 319 HB3 -1.81 0.14 0.05 -0.04 1.99 0.33 3n9mA1 GLU 319 HG2 -0.31 -0.04 -0.03 -0.04 2.34 1.92 3n9mA1 GLU 319 HG3 -0.32 0.10 0.07 -0.04 2.34 2.14 3n9mA1 ASN 320 H -0.13 0.16 -0.43 -0.55 8.53 7.58 3n9mA1 ASN 320 HA 0.02 0.07 0.24 -0.75 4.76 4.34 3n9mA1 ASN 320 HB2 -0.01 -0.01 0.07 -0.04 2.88 2.89 3n9mA1 ASN 320 HB3 -0.03 -0.01 0.01 -0.04 2.79 2.72 3n9mA1 ASN 320 HD21 -0.03 0.01 -0.11 -0.04 7.03 6.86 3n9mA1 ASN 320 HD22 -0.01 -0.03 -0.14 -0.04 7.74 7.51 3n9mA1 THR 321 H -0.03 0.36 -0.74 -0.55 8.28 7.33 3n9mA1 THR 321 HA 0.03 0.13 0.67 -0.75 4.39 4.46 3n9mA1 THR 321 HB 0.03 -0.07 0.11 -0.04 4.32 4.35 3n9mA1 THR 321 HG23 -0.02 -0.03 -0.09 -0.04 1.22 1.05 3n9mA1 VAL 322 H 0.13 0.43 -0.19 -0.55 8.24 8.05 3n9mA1 VAL 322 HA 0.21 0.08 0.65 -0.75 4.13 4.31 3n9mA1 VAL 322 HB 0.38 0.00 0.04 -0.04 2.12 2.51 3n9mA1 VAL 322 HG13 0.44 0.01 -0.28 -0.04 0.97 1.10 3n9mA1 VAL 322 HG23 0.42 -0.02 -0.03 -0.04 0.95 1.28 3n9mA1 PRO 323 HA 0.08 -0.03 0.29 -0.51 4.44 4.28 3n9mA1 PRO 323 HB2 0.10 0.05 -0.01 -0.04 2.28 2.38 3n9mA1 PRO 323 HB3 0.07 -0.03 0.11 -0.04 2.02 2.14 3n9mA1 PRO 323 HG2 0.09 0.04 0.09 -0.04 2.03 2.21 3n9mA1 PRO 323 HG3 0.08 0.00 0.12 -0.04 2.03 2.18 3n9mA1 PRO 323 HD2 0.17 0.19 0.22 -0.04 3.68 4.22 3n9mA1 PRO 323 HD3 0.13 0.24 0.35 -0.04 3.65 4.33 3n9mA1 SER 324 H 0.07 0.03 0.18 -0.55 8.46 8.20 3n9mA1 SER 324 HA 0.08 0.26 0.83 -0.75 4.49 4.90 3n9mA1 SER 324 HB2 0.05 -0.09 0.14 -0.04 3.95 4.01 3n9mA1 SER 324 HB3 0.05 0.09 0.09 -0.04 3.93 4.11 3n9mA1 PRO 325 HA 0.10 0.08 0.46 -0.51 4.44 4.57 3n9mA1 PRO 325 HB2 0.06 0.06 -0.02 -0.04 2.28 2.33 3n9mA1 PRO 325 HB3 0.12 -0.02 0.05 -0.04 2.02 2.14 3n9mA1 PRO 325 HG2 0.03 -0.02 -0.02 -0.04 2.03 1.98 3n9mA1 PRO 325 HG3 0.09 0.04 -0.08 -0.04 2.03 2.04 3n9mA1 PRO 325 HD2 0.04 0.02 0.21 -0.04 3.68 3.91 3n9mA1 PRO 325 HD3 0.06 0.46 0.39 -0.04 3.65 4.52 3n9mA1 THR 326 H 0.08 0.08 0.20 -0.55 8.28 8.09 3n9mA1 THR 326 HA 0.04 0.20 0.65 -0.75 4.39 4.53 3n9mA1 THR 326 HB 0.04 -0.03 0.20 -0.04 4.32 4.49 3n9mA1 THR 326 HG23 0.05 0.05 0.09 -0.04 1.22 1.36 3n9mA1 ASP 327 H 0.03 0.16 0.19 -0.55 8.40 8.23 3n9mA1 ASP 327 HA 0.00 0.36 0.51 -0.75 4.63 4.75 3n9mA1 ASP 327 HB2 0.02 -0.04 0.10 -0.04 2.71 2.75 3n9mA1 ASP 327 HB3 0.01 0.03 0.15 -0.04 2.70 2.84 3n9mA1 ASP 328 H 0.04 -0.07 -0.38 -0.55 8.40 7.44 3n9mA1 ASP 328 HA 0.04 0.18 0.60 -0.75 4.63 4.70 3n9mA1 ASP 328 HB2 0.06 -0.08 0.03 -0.04 2.71 2.68 3n9mA1 ASP 328 HB3 0.07 0.05 -0.04 -0.04 2.70 2.74 3n9mA1 GLU 329 H 0.09 0.11 -0.23 -0.55 8.60 8.02 3n9mA1 GLU 329 HA 0.40 0.12 0.67 -0.75 4.29 4.73 3n9mA1 GLU 329 HB2 0.17 0.04 0.16 -0.04 2.09 2.41 3n9mA1 GLU 329 HB3 0.45 0.01 0.01 -0.04 1.99 2.42 3n9mA1 GLU 329 HG2 0.33 0.01 0.02 -0.04 2.34 2.67 3n9mA1 GLU 329 HG3 0.17 -0.10 -0.03 -0.04 2.34 2.34 3n9mA1 VAL 330 H 0.00 0.44 0.03 -0.55 8.24 8.17 3n9mA1 VAL 330 HA -0.21 0.41 0.93 -0.75 4.13 4.50 3n9mA1 VAL 330 HB -0.18 0.03 -0.05 -0.04 2.12 1.87 3n9mA1 VAL 330 HG13 -0.05 0.00 -0.24 -0.04 0.97 0.64 3n9mA1 VAL 330 HG23 -0.06 -0.02 -0.33 -0.04 0.95 0.50 3n9mA1 CYS 331 H -0.27 0.59 0.29 -0.55 8.50 8.56 3n9mA1 CYS 331 HA -0.07 0.14 0.88 -0.75 4.58 4.78 3n9mA1 CYS 331 HB2 -0.36 0.11 -0.14 -0.04 2.97 2.54 3n9mA1 CYS 331 HB3 -0.71 -0.05 0.06 -0.04 2.97 2.23 3n9mA1 ILE 332 H 0.01 0.22 0.14 -0.55 8.25 8.06 3n9mA1 ILE 332 HA 0.05 0.26 1.07 -0.75 4.18 4.81 3n9mA1 ILE 332 HB 0.02 -0.03 0.17 -0.04 1.89 2.01 3n9mA1 ILE 332 HG12 -0.00 0.03 -0.11 -0.04 1.49 1.37 3n9mA1 ILE 332 HG13 -0.01 -0.02 -0.18 -0.04 1.21 0.96 3n9mA1 ILE 332 HG23 0.02 0.00 -0.06 -0.04 0.93 0.85 3n9mA1 ILE 332 HD13 0.01 0.01 -0.01 -0.04 0.88 0.84 3n9mA1 VAL 333 H 0.10 0.63 0.33 -0.55 8.24 8.75 3n9mA1 VAL 333 HA 0.08 0.23 1.00 -0.75 4.13 4.69 3n9mA1 VAL 333 HB 0.11 -0.20 0.06 -0.04 2.12 2.04 3n9mA1 VAL 333 HG13 0.19 0.04 -0.31 -0.04 0.97 0.85 3n9mA1 VAL 333 HG23 0.16 -0.00 -0.18 -0.04 0.95 0.89 3n9mA1 GLU 334 H 0.06 0.12 0.21 -0.55 8.60 8.44 3n9mA1 GLU 334 HA 0.04 0.15 0.53 -0.75 4.29 4.26 3n9mA1 GLU 334 HB2 0.05 -0.07 0.19 -0.04 2.09 2.23 3n9mA1 GLU 334 HB3 0.04 0.04 0.08 -0.04 1.99 2.10 3n9mA1 GLU 334 HG2 0.04 -0.00 0.08 -0.04 2.34 2.42 3n9mA1 GLU 334 HG3 0.03 0.04 0.06 -0.04 2.34 2.43 3n9mA1 ASP 335 H 0.07 0.04 0.17 -0.55 8.40 8.14 3n9mA1 ASP 335 HA 0.02 0.46 0.83 -0.75 4.63 5.19 3n9mA1 ASP 335 HB2 0.05 0.25 0.27 -0.04 2.71 3.24 3n9mA1 ASP 335 HB3 0.07 0.09 -0.07 -0.04 2.70 2.74 3n9mA1 GLY 336 H -0.08 0.55 0.06 -0.55 8.43 8.42 3n9mA1 GLY 336 HA2 -0.03 0.07 0.22 -0.51 4.01 3.76 3n9mA1 GLY 336 HA3 -0.17 -0.03 -0.04 -0.51 4.01 3.27 3n9mA1 TYR 337 H 0.01 0.13 -0.38 -0.55 8.29 7.50 3n9mA1 TYR 337 HA -0.02 0.17 0.52 -0.75 4.56 4.48 3n9mA1 TYR 337 HB2 -0.00 -0.05 0.05 -0.04 3.06 3.02 3n9mA1 TYR 337 HB3 -0.01 0.07 -0.02 -0.04 2.98 2.97 3n9mA1 TYR 337 HD2 -0.01 0.01 0.01 -0.04 7.15 7.12 3n9mA1 TYR 337 HE2 -0.01 0.02 -0.06 -0.04 6.85 6.76 3n9mA1 GLU 338 H 0.13 0.12 -0.06 -0.55 8.60 8.24 3n9mA1 GLU 338 HA 0.05 0.14 0.55 -0.75 4.29 4.27 3n9mA1 GLU 338 HB2 0.09 -0.06 0.21 -0.04 2.09 2.28 3n9mA1 GLU 338 HB3 0.08 0.09 0.08 -0.04 1.99 2.19 3n9mA1 GLU 338 HG2 0.05 0.10 0.07 -0.04 2.34 2.52 3n9mA1 GLU 338 HG3 0.08 -0.05 0.09 -0.04 2.34 2.43 3n9mA1 PHE 339 H 0.12 0.36 -0.22 -0.55 8.34 8.04 3n9mA1 PHE 339 HA -0.12 0.08 0.35 -0.75 4.62 4.17 3n9mA1 PHE 339 HB2 -0.17 0.01 -0.07 -0.04 3.15 2.89 3n9mA1 PHE 339 HB3 -0.23 0.04 0.03 -0.04 3.06 2.86 3n9mA1 PHE 339 HD2 -0.64 0.04 -0.10 -0.04 7.28 6.53 3n9mA1 PHE 339 HE2 -1.88 0.03 -0.10 -0.04 7.38 5.38 3n9mA1 PHE 339 HZ -2.80 0.02 -0.13 -0.04 7.32 4.38 3n9mA1 ARG 340 H -0.10 0.47 -0.24 -0.55 8.46 8.04 3n9mA1 ARG 340 HA -0.65 0.01 0.34 -0.75 4.34 3.28 3n9mA1 ARG 340 HB2 -0.12 0.13 0.15 -0.04 1.90 2.01 3n9mA1 ARG 340 HB3 -0.07 0.08 0.08 -0.04 1.80 1.85 3n9mA1 ARG 340 HG2 -0.09 0.01 -0.05 -0.04 1.67 1.50 3n9mA1 ARG 340 HG3 -0.19 -0.06 0.07 -0.04 1.67 1.45 3n9mA1 ARG 340 HD2 -0.05 -0.03 -0.00 -0.04 3.22 3.10 3n9mA1 ARG 340 HD3 -0.08 0.02 0.02 -0.04 3.22 3.13 3n9mA1 ARG 341 H -0.10 0.26 -0.50 -0.55 8.46 7.57 3n9mA1 ARG 341 HA -0.08 0.06 0.41 -0.75 4.34 3.98 3n9mA1 ARG 341 HB2 -0.01 0.04 0.10 -0.04 1.90 1.99 3n9mA1 ARG 341 HB3 -0.01 0.05 0.18 -0.04 1.80 1.98 3n9mA1 ARG 341 HG2 -0.01 0.02 -0.19 -0.04 1.67 1.44 3n9mA1 ARG 341 HG3 -0.02 -0.01 0.02 -0.04 1.67 1.61 3n9mA1 ARG 341 HD2 0.01 -0.04 -0.00 -0.04 3.22 3.15 3n9mA1 ARG 341 HD3 -0.00 0.01 -0.02 -0.04 3.22 3.16 3n9mA1 GLU 342 H -0.09 0.56 -0.02 -0.55 8.60 8.51 3n9mA1 GLU 342 HA 0.01 0.08 0.52 -0.75 4.29 4.15 3n9mA1 GLU 342 HB2 0.12 0.05 0.11 -0.04 2.09 2.33 3n9mA1 GLU 342 HB3 0.27 0.02 -0.08 -0.04 1.99 2.16 3n9mA1 GLU 342 HG2 0.05 -0.04 0.01 -0.04 2.34 2.32 3n9mA1 GLU 342 HG3 0.12 -0.03 -0.04 -0.04 2.34 2.35 3n9mA1 PHE 343 H -0.43 0.73 -0.04 -0.55 8.34 8.05 3n9mA1 PHE 343 HA -0.42 0.07 0.36 -0.75 4.62 3.87 3n9mA1 PHE 343 HB2 -2.12 0.10 0.05 -0.04 3.15 1.13 3n9mA1 PHE 343 HB3 -1.08 0.02 0.04 -0.04 3.06 2.00 3n9mA1 PHE 343 HD2 -0.89 0.04 -0.10 -0.04 7.28 6.29 3n9mA1 PHE 343 HE2 -1.05 -0.00 -0.12 -0.04 7.38 6.16 3n9mA1 PHE 343 HZ -0.28 -0.01 -0.17 -0.04 7.32 6.82 3n9mA1 GLU 344 H -0.23 0.41 -0.42 -0.55 8.60 7.82 3n9mA1 GLU 344 HA -0.26 -0.06 0.41 -0.75 4.29 3.63 3n9mA1 GLU 344 HB2 -0.15 0.41 0.21 -0.04 2.09 2.52 3n9mA1 GLU 344 HB3 -0.10 0.05 -0.02 -0.04 1.99 1.88 3n9mA1 GLU 344 HG2 -0.07 0.00 0.01 -0.04 2.34 2.24 3n9mA1 GLU 344 HG3 -0.09 -0.03 0.04 -0.04 2.34 2.22 3n9mA1 LYS 345 H -0.09 0.29 -0.37 -0.55 8.42 7.69 3n9mA1 LYS 345 HA -0.05 0.05 0.50 -0.75 4.32 4.07 3n9mA1 LYS 345 HB2 -0.01 0.05 0.19 -0.04 1.87 2.06 3n9mA1 LYS 345 HB3 -0.01 -0.05 0.14 -0.04 1.79 1.83 3n9mA1 LYS 345 HG2 -0.02 -0.06 0.06 -0.04 1.46 1.39 3n9mA1 LYS 345 HG3 -0.04 0.12 0.09 -0.04 1.46 1.60 3n9mA1 LYS 345 HD2 -0.01 -0.07 -0.01 -0.04 1.69 1.56 3n9mA1 LYS 345 HD3 -0.01 -0.01 -0.14 -0.04 1.68 1.47 3n9mA1 LYS 345 HE2 0.01 0.04 0.01 -0.04 2.99 3.02 3n9mA1 LYS 345 HE3 0.00 -0.02 0.02 -0.04 2.99 2.96 3n9mA1 LEU 346 H -0.11 0.20 -0.61 -0.55 8.37 7.31 3n9mA1 LEU 346 HA 0.00 0.18 0.87 -0.75 4.35 4.65 3n9mA1 LEU 346 HB2 0.02 0.05 0.04 -0.04 1.64 1.72 3n9mA1 LEU 346 HB3 0.07 -0.00 0.17 -0.04 1.64 1.84 3n9mA1 LEU 346 HG 0.08 0.07 -0.16 -0.04 1.64 1.59 3n9mA1 LEU 346 HD13 0.25 -0.03 -0.08 -0.04 0.93 1.04 3n9mA1 LEU 346 HD23 0.06 0.01 -0.00 -0.04 0.89 0.91 3n9mA1 GLY 347 H -0.11 0.29 -0.24 -0.55 8.43 7.83 3n9mA1 GLY 347 HA2 -0.06 -0.00 0.26 -0.51 4.01 3.69 3n9mA1 GLY 347 HA3 -0.04 0.19 0.77 -0.51 4.01 4.41 3n9mA1 GLY 348 H -0.37 0.37 0.06 -0.55 8.43 7.94 3n9mA1 GLY 348 HA2 -0.96 0.07 0.09 -0.51 4.01 2.71 3n9mA1 GLY 348 HA3 -0.30 -0.00 0.43 -0.51 4.01 3.63 3n9mA1 ALA 349 H -0.09 0.14 0.12 -0.55 8.40 8.02 3n9mA1 ALA 349 HA 0.33 0.10 0.28 -0.75 4.34 4.30 3n9mA1 ALA 349 HB3 0.35 0.00 0.05 -0.04 1.41 1.77 3n9mA1 ASP 350 H 0.07 0.14 -0.10 -0.55 8.40 7.96 3n9mA1 ASP 350 HA 0.17 -0.09 0.46 -0.75 4.63 4.42 3n9mA1 ASP 350 HB2 0.05 0.14 0.07 -0.04 2.71 2.93 3n9mA1 ASP 350 HB3 0.07 0.03 0.05 -0.04 2.70 2.81 3n9mA1 ASN 351 H 0.05 0.30 -0.79 -0.55 8.53 7.55 3n9mA1 ASN 351 HA 0.11 0.19 0.86 -0.75 4.76 5.18 3n9mA1 ASN 351 HB2 0.01 0.11 0.04 -0.04 2.88 3.00 3n9mA1 ASN 351 HB3 0.06 -0.02 0.18 -0.04 2.79 2.97 3n9mA1 ASN 351 HD21 0.04 -0.09 -0.17 -0.04 7.03 6.77 3n9mA1 ASN 351 HD22 0.06 0.29 -0.36 -0.04 7.74 7.70 3n9mA1 TRP 352 H 0.40 0.33 -0.23 -0.55 7.97 7.93 3n9mA1 TRP 352 HA 0.18 0.02 0.47 -0.75 4.62 4.53 3n9mA1 TRP 352 HB2 0.31 -0.04 0.01 -0.04 3.23 3.47 3n9mA1 TRP 352 HB3 0.41 -0.02 0.11 -0.04 3.23 3.69 3n9mA1 TRP 352 HD1 0.50 -0.16 0.04 -0.04 7.22 7.55 3n9mA1 TRP 352 HE1 0.55 0.46 0.08 -0.04 10.20 11.24 3n9mA1 TRP 352 HE3 0.31 -0.03 -0.08 -0.04 7.59 7.75 3n9mA1 TRP 352 HZ2 0.23 0.09 -0.58 -0.04 7.44 7.13 3n9mA1 TRP 352 HZ3 0.40 -0.04 -0.17 -0.04 7.13 7.28 3n9mA1 TRP 352 HH2 0.35 0.03 -0.29 -0.04 7.19 7.24 3n9mA1 GLY 353 H 0.55 0.03 0.27 -0.55 8.43 8.73 3n9mA1 GLY 353 HA2 0.16 0.15 0.91 -0.51 4.01 4.71 3n9mA1 GLY 353 HA3 0.21 0.02 0.24 -0.51 4.01 3.98 3n9mA1 LYS 354 H 0.44 -0.04 0.18 -0.55 8.42 8.45 3n9mA1 LYS 354 HA 0.26 0.21 1.00 -0.75 4.32 5.03 3n9mA1 LYS 354 HB2 -0.04 0.20 -0.22 -0.04 1.87 1.77 3n9mA1 LYS 354 HB3 0.12 0.07 0.01 -0.04 1.79 1.95 3n9mA1 LYS 354 HG2 0.09 -0.13 -0.01 -0.04 1.46 1.37 3n9mA1 LYS 354 HG3 -0.49 -0.02 -0.44 -0.04 1.46 0.47 3n9mA1 LYS 354 HD2 -0.45 -0.12 -0.19 -0.04 1.69 0.89 3n9mA1 LYS 354 HD3 -0.25 0.03 -0.45 -0.04 1.68 0.97 3n9mA1 LYS 354 HE2 0.03 0.20 -0.05 -0.04 2.99 3.12 3n9mA1 LYS 354 HE3 0.04 -0.08 -0.04 -0.04 2.99 2.87 3n9mA1 VAL 355 H -0.53 0.50 0.32 -0.55 8.24 7.98 3n9mA1 VAL 355 HA 0.10 0.23 0.89 -0.75 4.13 4.59 3n9mA1 VAL 355 HB -0.39 0.03 0.08 -0.04 2.12 1.79 3n9mA1 VAL 355 HG13 -1.58 0.04 0.03 -0.04 0.97 -0.58 3n9mA1 VAL 355 HG23 -0.29 -0.03 -0.24 -0.04 0.95 0.35 3n9mA1 PHE 356 H 0.41 0.53 0.37 -0.55 8.34 9.10 3n9mA1 PHE 356 HA 0.05 0.22 1.06 -0.75 4.62 5.20 3n9mA1 PHE 356 HB2 0.01 -0.05 0.10 -0.04 3.15 3.16 3n9mA1 PHE 356 HB3 0.07 -0.05 -0.06 -0.04 3.06 2.98 3n9mA1 PHE 356 HD2 0.33 0.03 -0.09 -0.04 7.28 7.51 3n9mA1 PHE 356 HE2 0.25 -0.03 -0.14 -0.04 7.38 7.43 3n9mA1 PHE 356 HZ 0.14 0.05 -0.18 -0.04 7.32 7.29 3n9mA1 MET 357 H 0.07 0.69 0.33 -0.55 8.47 9.01 3n9mA1 MET 357 HA -0.01 0.32 1.04 -0.75 4.52 5.13 3n9mA1 MET 357 HB2 -0.05 -0.01 -0.05 -0.04 2.15 2.01 3n9mA1 MET 357 HB3 -0.00 -0.08 0.13 -0.04 2.03 2.04 3n9mA1 MET 357 HG2 -0.03 0.23 0.01 -0.04 2.63 2.80 3n9mA1 MET 357 HG3 -0.04 0.01 -0.08 -0.04 2.56 2.41 3n9mA1 MET 357 HE3 -0.00 0.05 0.01 -0.04 2.10 2.12 3n9mA1 VAL 358 H -0.02 0.63 0.17 -0.55 8.24 8.48 3n9mA1 VAL 358 HA 0.03 0.16 0.84 -0.75 4.13 4.41 3n9mA1 VAL 358 HB -0.07 0.01 -0.02 -0.04 2.12 2.00 3n9mA1 VAL 358 HG13 -0.03 -0.00 -0.41 -0.04 0.97 0.49 3n9mA1 VAL 358 HG23 -0.20 0.00 -0.25 -0.04 0.95 0.46 3n9mA1 LYS 359 H 0.03 0.50 0.20 -0.55 8.42 8.60 3n9mA1 LYS 359 HA 0.01 0.02 0.42 -0.75 4.32 4.02 3n9mA1 LYS 359 HB2 0.03 0.06 0.32 -0.04 1.87 2.24 3n9mA1 LYS 359 HB3 0.02 -0.02 0.05 -0.04 1.79 1.80 3n9mA1 LYS 359 HG2 0.02 -0.01 0.02 -0.04 1.46 1.44 3n9mA1 LYS 359 HG3 0.02 0.06 0.02 -0.04 1.46 1.52 3n9mA1 LYS 359 HD2 0.03 -0.05 -0.07 -0.04 1.69 1.56 3n9mA1 LYS 359 HD3 0.02 -0.02 0.02 -0.04 1.68 1.66 3n9mA1 LYS 359 HE2 0.02 0.00 -0.01 -0.04 2.99 2.96 3n9mA1 LYS 359 HE3 0.02 0.02 -0.06 -0.04 2.99 2.93 3n9mA1 ASP 360 H 0.02 0.45 0.20 -0.55 8.40 8.53 3n9mA1 ASP 360 HA 0.03 0.24 0.93 -0.75 4.63 5.07 3n9mA1 ASP 360 HB2 0.03 0.06 0.11 -0.04 2.71 2.87 3n9mA1 ASP 360 HB3 0.03 -0.05 0.30 -0.04 2.70 2.94 3n9mA1 MET 361 H 0.04 0.31 0.16 -0.55 8.47 8.44 3n9mA1 MET 361 HA -0.04 0.08 0.36 -0.75 4.52 4.17 3n9mA1 MET 361 HB2 -0.13 -0.06 0.14 -0.04 2.15 2.06 3n9mA1 MET 361 HB3 0.04 0.18 0.05 -0.04 2.03 2.26 3n9mA1 MET 361 HG2 0.07 0.12 0.13 -0.04 2.63 2.90 3n9mA1 MET 361 HG3 -0.04 -0.11 -0.04 -0.04 2.56 2.33 3n9mA1 MET 361 HE3 -0.19 -0.05 0.04 -0.04 2.10 1.86 3n9mA1 ASP 362 H -0.02 0.10 -0.42 -0.55 8.40 7.52 3n9mA1 ASP 362 HA -0.07 0.08 0.51 -0.75 4.63 4.39 3n9mA1 ASP 362 HB2 0.01 0.07 0.11 -0.04 2.71 2.86 3n9mA1 ASP 362 HB3 0.04 -0.04 0.13 -0.04 2.70 2.79 3n9mA1 GLY 363 H -0.20 0.19 0.25 -0.55 8.43 8.12 3n9mA1 GLY 363 HA2 -0.72 0.10 0.33 -0.51 4.01 3.21 3n9mA1 GLY 363 HA3 -0.96 0.06 0.74 -0.51 4.01 3.34 3n9mA1 LEU 364 H -0.19 0.45 -0.18 -0.55 8.37 7.90 3n9mA1 LEU 364 HA -0.11 0.11 0.45 -0.75 4.35 4.04 3n9mA1 LEU 364 HB2 -0.15 0.15 0.10 -0.04 1.64 1.70 3n9mA1 LEU 364 HB3 -0.15 -0.01 0.04 -0.04 1.64 1.48 3n9mA1 LEU 364 HG -0.14 -0.10 -0.05 -0.04 1.64 1.31 3n9mA1 LEU 364 HD13 -0.12 0.02 -0.06 -0.04 0.93 0.73 3n9mA1 LEU 364 HD23 -0.29 0.01 -0.05 -0.04 0.89 0.51 3n9mA1 ASN 365 H -0.16 -0.06 -0.36 -0.55 8.53 7.39 3n9mA1 ASN 365 HA -0.11 0.04 0.23 -0.75 4.76 4.16 3n9mA1 ASN 365 HB2 -0.09 0.07 -0.22 -0.04 2.88 2.59 3n9mA1 ASN 365 HB3 -0.09 -0.09 0.27 -0.04 2.79 2.85 3n9mA1 ASN 365 HD21 -0.04 0.04 0.02 -0.04 7.03 7.01 3n9mA1 ASN 365 HD22 -0.05 -0.02 0.03 -0.04 7.74 7.66 3n9mA1 MET 366 H -0.16 0.10 -0.18 -0.55 8.47 7.68 3n9mA1 MET 366 HA -0.22 0.23 0.61 -0.75 4.52 4.38 3n9mA1 MET 366 HB2 -0.23 -0.07 -0.19 -0.04 2.15 1.62 3n9mA1 MET 366 HB3 -0.21 -0.06 0.01 -0.04 2.03 1.72 3n9mA1 MET 366 HG2 -0.27 0.08 -0.41 -0.04 2.63 1.99 3n9mA1 MET 366 HG3 -0.34 0.19 -0.21 -0.04 2.56 2.16 3n9mA1 MET 366 HE3 -0.21 -0.01 -0.10 -0.04 2.10 1.74 3n9mA1 THR 367 H -0.18 0.22 -0.06 -0.55 8.28 7.71 3n9mA1 THR 367 HA -0.16 -0.01 0.40 -0.75 4.39 3.87 3n9mA1 THR 367 HB -0.14 -0.07 0.03 -0.04 4.32 4.09 3n9mA1 THR 367 HG23 -0.15 0.10 -0.22 -0.04 1.22 0.92 3n9mA1 MET 368 H -0.21 0.17 0.25 -0.55 8.47 8.13 3n9mA1 MET 368 HA -0.39 0.17 0.87 -0.75 4.52 4.41 3n9mA1 MET 368 HB2 -0.33 -0.06 0.05 -0.04 2.15 1.76 3n9mA1 MET 368 HB3 -0.35 0.05 0.00 -0.04 2.03 1.70 3n9mA1 MET 368 HG2 -0.34 -0.01 -0.70 -0.04 2.63 1.54 3n9mA1 MET 368 HG3 -0.74 -0.08 -0.14 -0.04 2.56 1.55 3n9mA1 MET 368 HE3 0.00 0.02 -0.18 -0.04 2.10 1.90 3n9mA1 PRO 369 HA -0.29 0.01 0.45 -0.51 4.44 4.09 3n9mA1 PRO 369 HB2 -0.63 0.02 -0.13 -0.04 2.28 1.50 3n9mA1 PRO 369 HB3 -1.05 -0.04 0.05 -0.04 2.02 0.94 3n9mA1 PRO 369 HG2 -1.42 -0.02 -0.06 -0.04 2.03 0.48 3n9mA1 PRO 369 HG3 -1.04 0.02 -0.07 -0.04 2.03 0.90 3n9mA1 PRO 369 HD2 -0.75 0.04 0.14 -0.04 3.68 3.07 3n9mA1 PRO 369 HD3 -0.66 0.38 -0.07 -0.04 3.65 3.27 3n9mA1 LYS 370 H -0.05 0.04 0.18 -0.55 8.42 8.03 3n9mA1 LYS 370 HA -0.03 0.17 0.63 -0.75 4.32 4.34 3n9mA1 LYS 370 HB2 -0.01 -0.05 0.16 -0.04 1.87 1.93 3n9mA1 LYS 370 HB3 0.03 0.02 0.08 -0.04 1.79 1.88 3n9mA1 LYS 370 HG2 0.01 0.05 0.07 -0.04 1.46 1.55 3n9mA1 LYS 370 HG3 -0.01 0.01 0.14 -0.04 1.46 1.56 3n9mA1 LYS 370 HD2 -0.01 -0.02 0.05 -0.04 1.69 1.67 3n9mA1 LYS 370 HD3 0.00 -0.02 0.03 -0.04 1.68 1.66 3n9mA1 LYS 370 HE2 0.00 -0.01 0.03 -0.04 2.99 2.98 3n9mA1 LYS 370 HE3 -0.01 0.00 0.04 -0.04 2.99 2.98 3n9mA1 PRO 371 HA 0.09 0.12 0.47 -0.51 4.44 4.62 3n9mA1 PRO 371 HB2 0.04 -0.01 0.04 -0.04 2.28 2.31 3n9mA1 PRO 371 HB3 0.05 0.05 0.16 -0.04 2.02 2.24 3n9mA1 PRO 371 HG2 0.03 0.00 0.12 -0.04 2.03 2.15 3n9mA1 PRO 371 HG3 0.05 0.10 0.15 -0.04 2.03 2.29 3n9mA1 PRO 371 HD2 0.02 0.04 0.25 -0.04 3.68 3.95 3n9mA1 PRO 371 HD3 0.01 0.23 0.27 -0.04 3.65 4.12 3n9mA1 GLY 372 H 0.09 0.20 0.15 -0.55 8.43 8.32 3n9mA1 GLY 372 HA2 0.06 -0.03 0.37 -0.51 4.01 3.90 3n9mA1 GLY 372 HA3 0.06 0.15 0.76 -0.51 4.01 4.46 3n9mA1 PHE 373 H 0.21 0.55 -0.42 -0.55 8.34 8.12 3n9mA1 PHE 373 HA 0.01 -0.07 0.46 -0.75 4.62 4.27 3n9mA1 PHE 373 HB2 -0.01 0.14 0.07 -0.04 3.15 3.30 3n9mA1 PHE 373 HB3 0.02 0.01 -0.08 -0.04 3.06 2.98 3n9mA1 PHE 373 HD2 0.04 0.00 -0.22 -0.04 7.28 7.06 3n9mA1 PHE 373 HE2 0.07 -0.00 -0.12 -0.04 7.38 7.29 3n9mA1 PHE 373 HZ -0.02 -0.00 -0.15 -0.04 7.32 7.11 3n9mA1 ASP 374 H -0.63 0.06 0.20 -0.55 8.40 7.48 3n9mA1 ASP 374 HA 0.07 0.24 0.67 -0.75 4.63 4.85 3n9mA1 ASP 374 HB2 0.01 -0.13 0.14 -0.04 2.71 2.68 3n9mA1 ASP 374 HB3 0.02 0.26 -0.28 -0.04 2.70 2.65 3n9mA1 LEU 375 H -0.05 0.27 0.11 -0.55 8.37 8.14 3n9mA1 LEU 375 HA -0.07 0.08 0.33 -0.75 4.35 3.94 3n9mA1 LEU 375 HB2 -0.25 0.09 0.11 -0.04 1.64 1.55 3n9mA1 LEU 375 HB3 -0.06 0.02 0.05 -0.04 1.64 1.60 3n9mA1 LEU 375 HG 0.02 -0.02 -0.09 -0.04 1.64 1.51 3n9mA1 LEU 375 HD13 0.01 -0.01 0.03 -0.04 0.93 0.92 3n9mA1 LEU 375 HD23 -0.25 0.03 -0.06 -0.04 0.89 0.57 3n9mA1 GLU 376 H -0.08 0.13 -0.23 -0.55 8.60 7.87 3n9mA1 GLU 376 HA -0.05 0.07 0.34 -0.75 4.29 3.90 3n9mA1 GLU 376 HB2 -0.10 -0.00 0.02 -0.04 2.09 1.96 3n9mA1 GLU 376 HB3 -0.05 0.05 0.00 -0.04 1.99 1.95 3n9mA1 GLU 376 HG2 -0.03 -0.07 0.03 -0.04 2.34 2.23 3n9mA1 GLU 376 HG3 -0.02 0.09 0.00 -0.04 2.34 2.37 3n9mA1 ASP 377 H -0.32 0.14 -0.16 -0.55 8.40 7.51 3n9mA1 ASP 377 HA -0.20 0.06 0.41 -0.75 4.63 4.15 3n9mA1 ASP 377 HB2 -1.40 0.10 0.10 -0.04 2.71 1.47 3n9mA1 ASP 377 HB3 -0.54 0.04 0.02 -0.04 2.70 2.18 3n9mA1 VAL 378 H -0.23 0.33 -0.29 -0.55 8.24 7.50 3n9mA1 VAL 378 HA 0.00 0.03 0.40 -0.75 4.13 3.81 3n9mA1 VAL 378 HB -0.05 0.16 0.17 -0.04 2.12 2.36 3n9mA1 VAL 378 HG13 -0.09 -0.01 -0.14 -0.04 0.97 0.69 3n9mA1 VAL 378 HG23 0.14 0.04 -0.08 -0.04 0.95 1.01 3n9mA1 VAL 379 H -0.08 0.56 -0.03 -0.55 8.24 8.15 3n9mA1 VAL 379 HA -0.08 0.07 0.39 -0.75 4.13 3.76 3n9mA1 VAL 379 HB -0.02 -0.00 -0.03 -0.04 2.12 2.02 3n9mA1 VAL 379 HG13 -0.03 0.16 0.07 -0.04 0.97 1.13 3n9mA1 VAL 379 HG23 -0.01 -0.00 -0.29 -0.04 0.95 0.61 3n9mA1 LYS 380 H -0.07 0.49 -0.24 -0.55 8.42 8.04 3n9mA1 LYS 380 HA -0.03 -0.01 0.42 -0.75 4.32 3.94 3n9mA1 LYS 380 HB2 -0.07 0.11 0.11 -0.04 1.87 1.99 3n9mA1 LYS 380 HB3 -0.04 -0.04 0.02 -0.04 1.79 1.69 3n9mA1 LYS 380 HG2 -0.04 -0.06 -0.01 -0.04 1.46 1.31 3n9mA1 LYS 380 HG3 -0.06 0.27 0.07 -0.04 1.46 1.70 3n9mA1 LYS 380 HD2 -0.10 -0.07 -0.14 -0.04 1.69 1.33 3n9mA1 LYS 380 HD3 -0.05 -0.01 -0.06 -0.04 1.68 1.52 3n9mA1 LYS 380 HE2 -0.04 0.01 -0.09 -0.04 2.99 2.83 3n9mA1 LYS 380 HE3 -0.06 -0.05 -0.25 -0.04 2.99 2.58 3n9mA1 ILE 381 H -0.06 0.39 -0.29 -0.55 8.25 7.74 3n9mA1 ILE 381 HA -0.03 0.08 0.49 -0.75 4.18 3.96 3n9mA1 ILE 381 HB -0.05 0.09 0.18 -0.04 1.89 2.07 3n9mA1 ILE 381 HG12 -0.01 -0.04 -0.03 -0.04 1.49 1.36 3n9mA1 ILE 381 HG13 -0.02 0.23 0.07 -0.04 1.21 1.44 3n9mA1 ILE 381 HG23 -0.05 -0.03 -0.10 -0.04 0.93 0.72 3n9mA1 ILE 381 HD13 0.08 -0.03 -0.08 -0.04 0.88 0.80 3n9mA1 MET 382 H -0.11 0.58 0.10 -0.55 8.47 8.49 3n9mA1 MET 382 HA -0.15 0.04 0.54 -0.75 4.52 4.20 3n9mA1 MET 382 HB2 -0.31 0.07 0.07 -0.04 2.15 1.94 3n9mA1 MET 382 HB3 -0.76 -0.08 0.08 -0.04 2.03 1.23 3n9mA1 MET 382 HG2 -0.20 0.15 0.11 -0.04 2.63 2.65 3n9mA1 MET 382 HG3 -0.41 -0.04 -0.01 -0.04 2.56 2.06 3n9mA1 MET 382 HE3 -0.49 -0.01 -0.01 -0.04 2.10 1.55 3n9mA1 GLY 383 H -0.05 0.38 -0.31 -0.55 8.43 7.90 3n9mA1 GLY 383 HA2 0.00 0.07 0.33 -0.51 4.01 3.90 3n9mA1 GLY 383 HA3 0.03 0.10 0.83 -0.51 4.01 4.47 3n9mA1 SER 384 H 0.02 0.18 0.17 -0.55 8.46 8.28 3n9mA1 SER 384 HA 0.02 0.14 0.60 -0.75 4.49 4.50 3n9mA1 SER 384 HB2 0.02 0.03 0.09 -0.04 3.95 4.05 3n9mA1 SER 384 HB3 0.03 -0.05 0.08 -0.04 3.93 3.95 3n9mA1 ASP 385 H 0.04 0.13 -0.03 -0.55 8.40 8.00 3n9mA1 ASP 385 HA 0.03 0.10 0.69 -0.75 4.63 4.70 3n9mA1 ASP 385 HB2 0.03 0.05 0.06 -0.04 2.71 2.81 3n9mA1 ASP 385 HB3 0.02 0.03 0.14 -0.04 2.70 2.84 3n9mA1 TYR 386 H 0.13 0.14 -0.53 -0.55 8.29 7.47 3n9mA1 TYR 386 HA -0.04 0.07 0.50 -0.75 4.56 4.34 3n9mA1 TYR 386 HB2 -0.04 0.23 -0.05 -0.04 3.06 3.16 3n9mA1 TYR 386 HB3 -0.07 0.01 -0.04 -0.04 2.98 2.84 3n9mA1 TYR 386 HD2 -0.10 -0.02 -0.22 -0.04 7.15 6.77 3n9mA1 TYR 386 HE2 -0.11 -0.05 -0.06 -0.04 6.85 6.58 3n9mA1 GLU 387 H -0.37 0.18 0.21 -0.55 8.60 8.07 3n9mA1 GLU 387 HA -0.07 0.18 0.71 -0.75 4.29 4.36 3n9mA1 GLU 387 HB2 -0.19 0.03 0.13 -0.04 2.09 2.03 3n9mA1 GLU 387 HB3 -0.10 -0.09 -0.08 -0.04 1.99 1.68 3n9mA1 GLU 387 HG2 -0.03 -0.06 -0.23 -0.04 2.34 1.98 3n9mA1 GLU 387 HG3 -0.07 0.15 0.01 -0.04 2.34 2.39 3n9mA1 VAL 388 H -0.07 0.61 0.26 -0.55 8.24 8.49 3n9mA1 VAL 388 HA -0.12 0.15 0.98 -0.75 4.13 4.38 3n9mA1 VAL 388 HB -0.13 0.03 -0.11 -0.04 2.12 1.87 3n9mA1 VAL 388 HG13 -0.30 0.03 -0.11 -0.04 0.97 0.55 3n9mA1 VAL 388 HG23 -0.42 0.04 -0.08 -0.04 0.95 0.46 3n9mA1 ASP 389 H -0.09 0.11 0.17 -0.55 8.40 8.03 3n9mA1 ASP 389 HA -0.01 0.15 0.58 -0.75 4.63 4.60 3n9mA1 ASP 389 HB2 -0.08 -0.02 0.25 -0.04 2.71 2.82 3n9mA1 ASP 389 HB3 -0.05 0.05 -0.01 -0.04 2.70 2.65 3n9mA1 THR 390 H 0.09 0.89 0.44 -0.55 8.28 9.14 3n9mA1 THR 390 HA 0.16 0.11 1.10 -0.75 4.39 5.00 3n9mA1 THR 390 HB 0.17 -0.03 -0.04 -0.04 4.32 4.38 3n9mA1 THR 390 HG23 0.37 0.03 -0.30 -0.04 1.22 1.27 3n9mA1 ILE 391 H 0.12 0.91 0.41 -0.55 8.25 9.13 3n9mA1 ILE 391 HA 0.04 0.14 0.83 -0.75 4.18 4.44 3n9mA1 ILE 391 HB 0.02 0.01 0.15 -0.04 1.89 2.02 3n9mA1 ILE 391 HG12 -0.05 0.01 -0.15 -0.04 1.49 1.26 3n9mA1 ILE 391 HG13 -0.01 -0.16 -0.14 -0.04 1.21 0.86 3n9mA1 ILE 391 HG23 -0.03 -0.01 -0.29 -0.04 0.93 0.57 3n9mA1 ILE 391 HD13 -0.07 0.02 -0.16 -0.04 0.88 0.63 3n9mA1 ASP 392 H 0.12 0.78 0.35 -0.55 8.40 9.12 3n9mA1 ASP 392 HA -0.17 0.22 0.85 -0.75 4.63 4.76 3n9mA1 ASP 392 HB2 0.54 0.01 0.09 -0.04 2.71 3.31 3n9mA1 ASP 392 HB3 0.32 0.00 0.20 -0.04 2.70 3.19 3n9mA1 VAL 393 H -0.22 0.56 0.16 -0.55 8.24 8.19 3n9mA1 VAL 393 HA -0.04 0.05 0.23 -0.75 4.13 3.62 3n9mA1 VAL 393 HB -0.45 -0.07 0.14 -0.04 2.12 1.70 3n9mA1 VAL 393 HG13 0.04 0.08 0.00 -0.04 0.97 1.06 3n9mA1 VAL 393 HG23 -0.10 0.04 -0.04 -0.04 0.95 0.81 3n9mA1 TYR 394 H -0.20 0.06 -0.04 -0.55 8.29 7.56 3n9mA1 TYR 394 HA 0.12 0.21 0.29 -0.75 4.56 4.43 3n9mA1 TYR 394 HB2 -0.01 -0.02 0.10 -0.04 3.06 3.08 3n9mA1 TYR 394 HB3 0.06 0.02 0.14 -0.04 2.98 3.15 3n9mA1 TYR 394 HD2 -0.07 0.12 0.03 -0.04 7.15 7.19 3n9mA1 TYR 394 HE2 -0.02 0.20 -0.01 -0.04 6.85 6.97 3n9mA1 ASN 395 H 0.19 0.22 -0.42 -0.55 8.53 7.98 3n9mA1 ASN 395 HA 0.30 0.23 0.81 -0.75 4.76 5.35 3n9mA1 ASN 395 HB2 0.56 -0.06 0.02 -0.04 2.88 3.36 3n9mA1 ASN 395 HB3 0.29 -0.02 0.04 -0.04 2.79 3.06 3n9mA1 ASN 395 HD21 -0.12 -0.10 -0.02 -0.04 7.03 6.75 3n9mA1 ASN 395 HD22 0.16 0.46 0.14 -0.04 7.74 8.47 3n9mA1 GLN 396 H 0.01 0.36 -0.31 -0.55 8.47 7.98 3n9mA1 GLN 396 HA -0.11 0.02 0.29 -0.75 4.36 3.79 3n9mA1 GLN 396 HB2 -0.90 0.01 -0.09 -0.04 2.15 1.12 3n9mA1 GLN 396 HB3 -0.36 -0.02 0.20 -0.04 2.02 1.79 3n9mA1 GLN 396 HG2 -0.14 0.13 -0.01 -0.04 2.40 2.33 3n9mA1 GLN 396 HG3 -0.46 -0.11 0.01 -0.04 2.39 1.79 3n9mA1 GLN 396 HE21 0.08 -0.03 0.05 -0.04 6.97 7.03 3n9mA1 GLN 396 HE22 0.11 0.11 0.11 -0.04 7.69 7.97 3n9mA1 SER 397 H -0.04 0.27 -0.13 -0.55 8.46 8.01 3n9mA1 SER 397 HA -0.16 0.14 0.63 -0.75 4.49 4.35 3n9mA1 SER 397 HB2 -0.20 -0.09 -0.09 -0.04 3.95 3.53 3n9mA1 SER 397 HB3 -0.36 -0.06 0.08 -0.04 3.93 3.56 3n9mA1 THR 398 H -0.22 0.24 0.14 -0.55 8.28 7.89 3n9mA1 THR 398 HA -0.08 0.29 1.06 -0.75 4.39 4.91 3n9mA1 THR 398 HB -0.11 0.02 -0.10 -0.04 4.32 4.10 3n9mA1 THR 398 HG23 -0.04 -0.04 -0.28 -0.04 1.22 0.82 3n9mA1 TYR 399 H 0.15 0.82 0.41 -0.55 8.29 9.12 3n9mA1 TYR 399 HA 0.21 0.18 0.97 -0.75 4.56 5.17 3n9mA1 TYR 399 HB2 0.24 0.04 -0.01 -0.04 3.06 3.28 3n9mA1 TYR 399 HB3 0.13 -0.11 -0.08 -0.04 2.98 2.88 3n9mA1 TYR 399 HD2 0.09 -0.02 -0.08 -0.04 7.15 7.10 3n9mA1 TYR 399 HE2 -0.18 0.01 -0.06 -0.04 6.85 6.58 3n9mA1 SER 400 H 0.18 0.11 0.14 -0.55 8.46 8.34 3n9mA1 SER 400 HA 0.04 0.18 0.64 -0.75 4.49 4.61 3n9mA1 SER 400 HB2 0.02 -0.06 0.13 -0.04 3.95 4.00 3n9mA1 SER 400 HB3 0.02 -0.01 -0.04 -0.04 3.93 3.86 3n9mA1 MET 401 H 0.02 0.26 0.12 -0.55 8.47 8.31 3n9mA1 MET 401 HA 0.17 -0.06 0.49 -0.75 4.52 4.36 3n9mA1 MET 401 HB2 -0.14 0.12 -0.22 -0.04 2.15 1.87 3n9mA1 MET 401 HB3 -0.02 0.08 -0.08 -0.04 2.03 1.96 3n9mA1 MET 401 HG2 -0.03 0.22 -0.18 -0.04 2.63 2.61 3n9mA1 MET 401 HG3 -0.30 -0.07 -0.01 -0.04 2.56 2.14 3n9mA1 MET 401 HE3 -1.54 0.00 -0.15 -0.04 2.10 0.37 3n9mA1 LYS 402 H 0.09 0.09 0.12 -0.55 8.42 8.17 3n9mA1 LYS 402 HA 0.02 0.17 0.36 -0.75 4.32 4.13 3n9mA1 LYS 402 HB2 0.07 -0.07 0.17 -0.04 1.87 2.00 3n9mA1 LYS 402 HB3 0.05 0.06 0.12 -0.04 1.79 1.98 3n9mA1 LYS 402 HG2 0.03 0.11 0.05 -0.04 1.46 1.60 3n9mA1 LYS 402 HG3 0.05 -0.05 0.05 -0.04 1.46 1.47 3n9mA1 LYS 402 HD2 0.06 -0.03 0.04 -0.04 1.69 1.72 3n9mA1 LYS 402 HD3 0.04 0.02 0.02 -0.04 1.68 1.73 3n9mA1 LYS 402 HE2 0.03 0.03 0.03 -0.04 2.99 3.03 3n9mA1 LYS 402 HE3 0.04 -0.02 0.01 -0.04 2.99 2.98 3n9mA1 LEU 403 H 0.05 0.51 0.13 -0.55 8.37 8.53 3n9mA1 LEU 403 HA 0.01 0.03 0.40 -0.75 4.35 4.04 3n9mA1 LEU 403 HB2 0.08 0.22 0.14 -0.04 1.64 2.04 3n9mA1 LEU 403 HB3 0.03 0.07 0.13 -0.04 1.64 1.83 3n9mA1 LEU 403 HG -0.04 -0.08 -0.06 -0.04 1.64 1.42 3n9mA1 LEU 403 HD13 -0.24 -0.03 0.01 -0.04 0.93 0.63 3n9mA1 LEU 403 HD23 -0.20 0.04 -0.08 -0.04 0.89 0.61 3n9mA1 ASP 404 H 0.05 0.44 -0.03 -0.55 8.40 8.32 3n9mA1 ASP 404 HA 0.05 0.07 0.47 -0.75 4.63 4.46 3n9mA1 ASP 404 HB2 0.03 -0.02 0.19 -0.04 2.71 2.87 3n9mA1 ASP 404 HB3 0.04 -0.03 0.10 -0.04 2.70 2.77 3n9mA1 THR 405 H 0.06 0.06 -0.21 -0.55 8.28 7.65 3n9mA1 THR 405 HA 0.04 0.06 0.36 -0.75 4.39 4.11 3n9mA1 THR 405 HB 0.06 0.10 0.08 -0.04 4.32 4.51 3n9mA1 THR 405 HG23 0.09 0.01 -0.11 -0.04 1.22 1.17 3n9mA1 PHE 406 H 0.15 0.49 -0.34 -0.55 8.34 8.09 3n9mA1 PHE 406 HA -0.11 0.03 0.31 -0.75 4.62 4.09 3n9mA1 PHE 406 HB2 -0.02 0.01 -0.03 -0.04 3.15 3.07 3n9mA1 PHE 406 HB3 0.03 0.15 0.07 -0.04 3.06 3.27 3n9mA1 PHE 406 HD2 0.05 -0.01 -0.25 -0.04 7.28 7.03 3n9mA1 PHE 406 HE2 -0.13 -0.02 -0.28 -0.04 7.38 6.91 3n9mA1 PHE 406 HZ -0.12 0.04 -0.19 -0.04 7.32 7.01 3n9mA1 ARG 407 H 0.21 0.50 -0.15 -0.55 8.46 8.47 3n9mA1 ARG 407 HA 0.17 -0.03 0.34 -0.75 4.34 4.07 3n9mA1 ARG 407 HB2 0.11 0.08 0.14 -0.04 1.90 2.19 3n9mA1 ARG 407 HB3 0.07 0.09 0.11 -0.04 1.80 2.03 3n9mA1 ARG 407 HG2 0.09 -0.02 -0.03 -0.04 1.67 1.66 3n9mA1 ARG 407 HG3 0.05 -0.08 -0.10 -0.04 1.67 1.51 3n9mA1 ARG 407 HD2 0.03 -0.06 -0.07 -0.04 3.22 3.08 3n9mA1 ARG 407 HD3 0.02 -0.01 -0.05 -0.04 3.22 3.14 3n9mA1 LYS 408 H 0.04 0.62 -0.18 -0.55 8.42 8.35 3n9mA1 LYS 408 HA 0.02 -0.03 0.40 -0.75 4.32 3.95 3n9mA1 LYS 408 HB2 0.02 0.00 0.11 -0.04 1.87 1.96 3n9mA1 LYS 408 HB3 -0.00 0.15 0.17 -0.04 1.79 2.07 3n9mA1 LYS 408 HG2 -0.00 0.02 -0.07 -0.04 1.46 1.36 3n9mA1 LYS 408 HG3 0.01 -0.04 0.03 -0.04 1.46 1.41 3n9mA1 LYS 408 HD2 0.00 -0.01 -0.02 -0.04 1.69 1.63 3n9mA1 LYS 408 HD3 0.02 -0.05 -0.02 -0.04 1.68 1.59 3n9mA1 LYS 408 HE2 0.02 0.05 0.04 -0.04 2.99 3.06 3n9mA1 LYS 408 HE3 0.01 0.03 -0.04 -0.04 2.99 2.95 3n9mA1 LEU 409 H -0.10 0.53 -0.08 -0.55 8.37 8.18 3n9mA1 LEU 409 HA -0.07 0.02 0.41 -0.75 4.35 3.95 3n9mA1 LEU 409 HB2 -0.31 0.05 0.13 -0.04 1.64 1.47 3n9mA1 LEU 409 HB3 -0.14 0.01 0.01 -0.04 1.64 1.48 3n9mA1 LEU 409 HG -0.12 0.04 0.03 -0.04 1.64 1.55 3n9mA1 LEU 409 HD13 -0.48 -0.03 -0.09 -0.04 0.93 0.29 3n9mA1 LEU 409 HD23 -0.00 -0.00 0.01 -0.04 0.89 0.86 3n9mA1 PHE 410 H -0.12 0.61 -0.12 -0.55 8.34 8.16 3n9mA1 PHE 410 HA -0.23 0.02 0.39 -0.75 4.62 4.05 3n9mA1 PHE 410 HB2 -0.56 0.02 0.02 -0.04 3.15 2.58 3n9mA1 PHE 410 HB3 -0.10 0.01 0.09 -0.04 3.06 3.03 3n9mA1 PHE 410 HD2 -0.09 0.02 -0.15 -0.04 7.28 7.02 3n9mA1 PHE 410 HE2 0.03 0.02 -0.12 -0.04 7.38 7.27 3n9mA1 PHE 410 HZ 0.03 -0.02 -0.10 -0.04 7.32 7.19 3n9mA1 ARG 411 H 0.06 0.55 -0.15 -0.55 8.46 8.36 3n9mA1 ARG 411 HA 0.01 0.01 0.44 -0.75 4.34 4.04 3n9mA1 ARG 411 HB2 0.04 0.14 0.13 -0.04 1.90 2.18 3n9mA1 ARG 411 HB3 0.02 -0.08 0.01 -0.04 1.80 1.71 3n9mA1 ARG 411 HG2 0.15 0.01 0.00 -0.04 1.67 1.80 3n9mA1 ARG 411 HG3 0.06 -0.07 -0.00 -0.04 1.67 1.61 3n9mA1 ARG 411 HD2 0.06 -0.04 0.02 -0.04 3.22 3.22 3n9mA1 ARG 411 HD3 0.06 0.09 0.07 -0.04 3.22 3.40 3n9mA1 ASP 412 H -0.04 0.39 -0.17 -0.55 8.40 8.03 3n9mA1 ASP 412 HA -0.04 -0.10 0.65 -0.75 4.63 4.39 3n9mA1 ASP 412 HB2 -0.03 0.00 0.16 -0.04 2.71 2.80 3n9mA1 ASP 412 HB3 -0.04 0.19 0.23 -0.04 2.70 3.03 3n9mA1 THR 413 H -0.05 0.07 0.27 -0.55 8.28 8.02 3n9mA1 THR 413 HA -0.12 0.23 0.41 -0.75 4.39 4.16 3n9mA1 THR 413 HB -0.05 -0.08 0.15 -0.04 4.32 4.30 3n9mA1 THR 413 HG23 -0.06 -0.01 -0.08 -0.04 1.22 1.03 3n9mA1 LYS 414 H -0.04 -0.01 0.05 -0.55 8.42 7.87 3n9mA1 LYS 414 HA -0.03 0.17 0.50 -0.75 4.32 4.21 3n9mA1 LYS 414 HB2 -0.02 -0.01 0.08 -0.04 1.87 1.87 3n9mA1 LYS 414 HB3 -0.02 -0.03 0.08 -0.04 1.79 1.78 3n9mA1 LYS 414 HG2 -0.01 0.04 -0.07 -0.04 1.46 1.38 3n9mA1 LYS 414 HG3 -0.01 0.00 0.05 -0.04 1.46 1.46 3n9mA1 LYS 414 HD2 -0.01 -0.01 -0.00 -0.04 1.69 1.63 3n9mA1 LYS 414 HD3 -0.01 -0.01 -0.05 -0.04 1.68 1.57 3n9mA1 LYS 414 HE2 -0.00 0.01 -0.05 -0.04 2.99 2.90 3n9mA1 LYS 414 HE3 -0.00 -0.00 -0.01 -0.04 2.99 2.93 3n9mA1 ASN 415 H -0.03 0.05 -0.28 -0.55 8.53 7.73 3n9mA1 ASN 415 HA -0.01 0.20 0.97 -0.75 4.76 5.16 3n9mA1 ASN 415 HB2 -0.01 -0.06 0.10 -0.04 2.88 2.86 3n9mA1 ASN 415 HB3 -0.00 0.02 0.03 -0.04 2.79 2.79 3n9mA1 ASN 415 HD21 0.00 0.01 -0.05 -0.04 7.03 6.95 3n9mA1 ASN 415 HD22 -0.00 -0.02 -0.03 -0.04 7.74 7.65 3n9mA1 ARG 416 H -0.01 0.22 -0.13 -0.55 8.46 7.99 3n9mA1 ARG 416 HA 0.00 0.18 0.89 -0.75 4.34 4.66 3n9mA1 ARG 416 HB2 -0.02 -0.02 0.04 -0.04 1.90 1.86 3n9mA1 ARG 416 HB3 -0.02 0.05 0.03 -0.04 1.80 1.81 3n9mA1 ARG 416 HG2 -0.05 0.09 0.00 -0.04 1.67 1.66 3n9mA1 ARG 416 HG3 -0.06 -0.05 -0.45 -0.04 1.67 1.07 3n9mA1 ARG 416 HD2 -0.08 -0.01 0.00 -0.04 3.22 3.09 3n9mA1 ARG 416 HD3 -0.09 -0.12 0.02 -0.04 3.22 3.00 3n9mA1 PRO 417 HA -0.04 0.06 0.43 -0.51 4.44 4.38 3n9mA1 PRO 417 HB2 -0.05 -0.03 0.03 -0.04 2.28 2.19 3n9mA1 PRO 417 HB3 -0.08 0.03 0.06 -0.04 2.02 1.98 3n9mA1 PRO 417 HG2 0.03 0.02 0.03 -0.04 2.03 2.06 3n9mA1 PRO 417 HG3 0.00 0.02 -0.00 -0.04 2.03 2.01 3n9mA1 PRO 417 HD2 0.04 0.11 0.13 -0.04 3.68 3.91 3n9mA1 PRO 417 HD3 0.01 0.15 -0.43 -0.04 3.65 3.34 3n9mA1 LEU 418 H 0.02 0.12 -0.05 -0.55 8.37 7.91 3n9mA1 LEU 418 HA -0.02 0.18 0.89 -0.75 4.35 4.65 3n9mA1 LEU 418 HB2 0.01 -0.02 -0.01 -0.04 1.64 1.58 3n9mA1 LEU 418 HB3 -0.53 -0.00 0.00 -0.04 1.64 1.06 3n9mA1 LEU 418 HG 0.09 -0.02 -0.03 -0.04 1.64 1.64 3n9mA1 LEU 418 HD13 -0.28 0.04 -0.07 -0.04 0.93 0.58 3n9mA1 LEU 418 HD23 -0.01 -0.02 -0.12 -0.04 0.89 0.71 3n9mA1 LEU 419 H -0.71 0.03 0.15 -0.55 8.37 7.29 3n9mA1 LEU 419 HA -0.21 0.25 0.86 -0.75 4.35 4.50 3n9mA1 LEU 419 HB2 -0.68 -0.14 0.08 -0.04 1.64 0.86 3n9mA1 LEU 419 HB3 -0.24 0.01 -0.08 -0.04 1.64 1.29 3n9mA1 LEU 419 HG -0.68 -0.04 -0.11 -0.04 1.64 0.76 3n9mA1 LEU 419 HD13 -0.07 0.04 -0.29 -0.04 0.93 0.58 3n9mA1 LEU 419 HD23 -0.08 0.05 -0.22 -0.04 0.89 0.60 3n9mA1 TYR 420 H 0.02 0.26 0.11 -0.55 8.29 8.12 3n9mA1 TYR 420 HA 0.03 0.38 1.11 -0.75 4.56 5.32 3n9mA1 TYR 420 HB2 -0.09 0.02 0.01 -0.04 3.06 2.96 3n9mA1 TYR 420 HB3 0.17 -0.02 -0.13 -0.04 2.98 2.96 3n9mA1 TYR 420 HD2 -0.03 0.06 -0.25 -0.04 7.15 6.89 3n9mA1 TYR 420 HE2 0.08 0.00 -0.13 -0.04 6.85 6.76 3n9mA1 ASN 421 H 0.12 0.42 0.30 -0.55 8.53 8.82 3n9mA1 ASN 421 HA 0.08 0.26 0.94 -0.75 4.76 5.28 3n9mA1 ASN 421 HB2 -0.00 -0.05 0.04 -0.04 2.88 2.82 3n9mA1 ASN 421 HB3 -0.06 0.17 0.05 -0.04 2.79 2.91 3n9mA1 ASN 421 HD21 0.03 0.05 -0.10 -0.04 7.03 6.96 3n9mA1 ASN 421 HD22 -0.00 0.07 -0.15 -0.04 7.74 7.62 3n9mA1 PHE 422 H -0.72 0.39 0.22 -0.55 8.34 7.68 3n9mA1 PHE 422 HA -0.04 0.08 1.58 -0.75 4.62 5.49 3n9mA1 PHE 422 HB2 -0.16 0.02 -0.01 -0.04 3.15 2.96 3n9mA1 PHE 422 HB3 -0.22 -0.05 -0.08 -0.04 3.06 2.67 3n9mA1 PHE 422 HD2 -0.78 0.09 -0.13 -0.04 7.28 6.41 3n9mA1 PHE 422 HE2 -0.74 0.09 -0.19 -0.04 7.38 6.50 3n9mA1 PHE 422 HZ -0.32 -0.02 -0.09 -0.04 7.32 6.85 3n9mA1 LEU 423 H 0.06 0.32 0.10 -0.55 8.37 8.31 3n9mA1 LEU 423 HA -0.07 0.05 0.21 -0.75 4.35 3.79 3n9mA1 LEU 423 HB2 -0.04 -0.02 -0.01 -0.04 1.64 1.52 3n9mA1 LEU 423 HB3 -0.11 -0.06 0.10 -0.04 1.64 1.53 3n9mA1 LEU 423 HG -0.09 -0.01 -0.14 -0.04 1.64 1.36 3n9mA1 LEU 423 HD13 -0.16 -0.01 -0.22 -0.04 0.93 0.51 3n9mA1 LEU 423 HD23 -0.15 0.03 -0.15 -0.04 0.89 0.58 3n9mA1 SER 424 H -0.06 -0.07 -0.03 -0.55 8.46 7.76 3n9mA1 SER 424 HA -0.23 0.29 0.87 -0.75 4.49 4.67 3n9mA1 SER 424 HB2 -0.26 0.00 -0.07 -0.04 3.95 3.58 3n9mA1 SER 424 HB3 -0.17 -0.07 0.23 -0.04 3.93 3.88 3n9mA1 LEU 425 H -0.07 0.02 0.17 -0.55 8.37 7.94 3n9mA1 LEU 425 HA -0.01 -0.02 0.40 -0.75 4.35 3.97 3n9mA1 LEU 425 HB2 -0.37 -0.11 -0.04 -0.04 1.64 1.07 3n9mA1 LEU 425 HB3 0.01 0.61 0.48 -0.04 1.64 2.70 3n9mA1 LEU 425 HG -0.02 -0.06 0.08 -0.04 1.64 1.60 3n9mA1 LEU 425 HD13 -0.18 0.00 -0.09 -0.04 0.93 0.62 3n9mA1 LEU 425 HD23 -0.57 -0.01 -0.05 -0.04 0.89 0.21 3n9mA1 GLU 426 H -0.00 0.06 0.12 -0.55 8.60 8.23 3n9mA1 GLU 426 HA -0.05 0.34 0.79 -0.75 4.29 4.61 3n9mA1 GLU 426 HB2 -0.05 -0.09 0.11 -0.04 2.09 2.02 3n9mA1 GLU 426 HB3 -0.05 -0.03 0.11 -0.04 1.99 1.98 3n9mA1 GLU 426 HG2 -0.01 0.06 -0.26 -0.04 2.34 2.09 3n9mA1 GLU 426 HG3 -0.03 0.31 -0.09 -0.04 2.34 2.48 3n9mA1 PHE 427 H -0.59 0.62 0.25 -0.55 8.34 8.07 3n9mA1 PHE 427 HA -0.01 0.16 0.82 -0.75 4.62 4.84 3n9mA1 PHE 427 HB2 -0.01 -0.10 0.15 -0.04 3.15 3.15 3n9mA1 PHE 427 HB3 -0.03 0.04 -0.10 -0.04 3.06 2.92 3n9mA1 PHE 427 HD2 0.04 -0.03 -0.19 -0.04 7.28 7.07 3n9mA1 PHE 427 HE2 0.14 0.15 -0.32 -0.04 7.38 7.31 3n9mA1 PHE 427 HZ 0.24 0.07 -0.13 -0.04 7.32 7.46 3n9mA1 SER 428 H -0.11 0.17 -0.15 -0.55 8.46 7.82 3n9mA1 SER 428 HA 0.01 0.18 0.42 -0.75 4.49 4.35 3n9mA1 SER 428 HB2 -0.03 0.10 0.11 -0.04 3.95 4.08 3n9mA1 SER 428 HB3 -0.12 -0.07 0.08 -0.04 3.93 3.77 3n9mA1 ASP 429 H 0.05 0.00 -0.53 -0.55 8.40 7.37 3n9mA1 ASP 429 HA 0.02 0.28 0.80 -0.75 4.63 4.97 3n9mA1 ASP 429 HB2 0.02 0.02 0.10 -0.04 2.71 2.81 3n9mA1 ASP 429 HB3 0.01 0.03 -0.09 -0.04 2.70 2.60 3n9mA1 ASN 430 H 0.10 0.29 -0.24 -0.55 8.53 8.14 3n9mA1 ASN 430 HA 0.03 0.18 0.90 -0.75 4.76 5.12 3n9mA1 ASN 430 HB2 0.03 0.06 0.07 -0.04 2.88 3.00 3n9mA1 ASN 430 HB3 0.08 0.06 0.21 -0.04 2.79 3.11 3n9mA1 ASN 430 HD21 -0.03 0.20 -0.02 -0.04 7.03 7.13 3n9mA1 ASN 430 HD22 -0.02 0.06 0.04 -0.04 7.74 7.78 3n9mA1 ASN 431 H 0.01 0.24 0.06 -0.55 8.53 8.30 3n9mA1 ASN 431 HA 0.01 0.12 0.03 -0.75 4.76 4.16 3n9mA1 ASN 431 HB2 0.00 -0.04 0.08 -0.04 2.88 2.89 3n9mA1 ASN 431 HB3 -0.00 0.04 0.02 -0.04 2.79 2.80 3n9mA1 ASN 431 HD21 -0.01 0.02 0.02 -0.04 7.03 7.02 3n9mA1 ASN 431 HD22 -0.00 -0.02 0.02 -0.04 7.74 7.69 3n9mA1 GLU 432 H -0.00 -0.01 -0.42 -0.55 8.60 7.63 3n9mA1 GLU 432 HA -0.02 0.17 0.67 -0.75 4.29 4.36 3n9mA1 GLU 432 HB2 -0.01 0.01 0.04 -0.04 2.09 2.09 3n9mA1 GLU 432 HB3 -0.02 -0.05 0.08 -0.04 1.99 1.96 3n9mA1 GLU 432 HG2 -0.02 -0.01 -0.22 -0.04 2.34 2.05 3n9mA1 GLU 432 HG3 -0.02 0.02 -0.01 -0.04 2.34 2.29 3n9mA1 MET 433 H -0.03 0.05 0.01 -0.55 8.47 7.96 3n9mA1 MET 433 HA -0.17 0.01 0.41 -0.75 4.52 4.02 3n9mA1 MET 433 HB2 -0.02 -0.02 0.19 -0.04 2.15 2.25 3n9mA1 MET 433 HB3 -0.29 0.08 -0.02 -0.04 2.03 1.76 3n9mA1 MET 433 HG2 -0.12 -0.04 0.03 -0.04 2.63 2.46 3n9mA1 MET 433 HG3 -0.23 0.00 0.02 -0.04 2.56 2.31 3n9mA1 MET 433 HE3 0.13 0.00 -0.04 -0.04 2.10 2.15 3n9mA1 LYS 434 H 0.08 0.62 -0.23 -0.55 8.42 8.34 3n9mA1 LYS 434 HA 0.33 0.04 0.13 -0.75 4.32 4.07 3n9mA1 LYS 434 HB2 0.09 -0.03 0.04 -0.04 1.87 1.93 3n9mA1 LYS 434 HB3 0.11 -0.02 -0.14 -0.04 1.79 1.71 3n9mA1 LYS 434 HG2 0.03 0.09 -0.29 -0.04 1.46 1.24 3n9mA1 LYS 434 HG3 0.02 -0.02 -0.29 -0.04 1.46 1.14 3n9mA1 LYS 434 HD2 0.02 0.20 -0.20 -0.04 1.69 1.68 3n9mA1 LYS 434 HD3 0.02 -0.17 -0.48 -0.04 1.68 1.01 3n9mA1 LYS 434 HE2 -0.02 -0.07 -0.08 -0.04 2.99 2.78 3n9mA1 LYS 434 HE3 -0.01 0.03 -0.09 -0.04 2.99 2.87 3n9mA1 GLU 435 H -0.01 0.30 -0.72 -0.55 8.60 7.63 3n9mA1 GLU 435 HA -0.02 0.15 0.75 -0.75 4.29 4.41 3n9mA1 GLU 435 HB2 -0.03 0.11 0.02 -0.04 2.09 2.15 3n9mA1 GLU 435 HB3 -0.04 -0.08 0.04 -0.04 1.99 1.87 3n9mA1 GLU 435 HG2 -0.01 0.03 -0.18 -0.04 2.34 2.14 3n9mA1 GLU 435 HG3 -0.02 -0.04 -0.02 -0.04 2.34 2.21 3n9mA1 ILE 436 H -0.09 0.47 -0.10 -0.55 8.25 7.97 3n9mA1 ILE 436 HA -0.17 0.04 0.44 -0.75 4.18 3.73 3n9mA1 ILE 436 HB -0.25 0.12 0.21 -0.04 1.89 1.92 3n9mA1 ILE 436 HG12 -0.12 -0.03 -0.04 -0.04 1.49 1.26 3n9mA1 ILE 436 HG13 -0.09 0.18 -0.07 -0.04 1.21 1.19 3n9mA1 ILE 436 HG23 -0.54 -0.03 -0.20 -0.04 0.93 0.12 3n9mA1 ILE 436 HD13 -0.02 -0.04 -0.08 -0.04 0.88 0.70 3n9mA1 ALA 437 H -0.15 0.34 -0.05 -0.55 8.40 8.00 3n9mA1 ALA 437 HA -0.29 0.39 0.79 -0.75 4.34 4.47 3n9mA1 ALA 437 HB3 -0.57 -0.04 -0.02 -0.04 1.41 0.75 3n9mA1 LYS 438 H -0.15 0.68 0.18 -0.55 8.42 8.57 3n9mA1 LYS 438 HA -0.02 0.19 0.84 -0.75 4.32 4.57 3n9mA1 LYS 438 HB2 -0.15 -0.13 -0.03 -0.04 1.87 1.52 3n9mA1 LYS 438 HB3 -0.10 0.01 0.06 -0.04 1.79 1.72 3n9mA1 LYS 438 HG2 -0.08 -0.12 -0.66 -0.04 1.46 0.56 3n9mA1 LYS 438 HG3 -0.09 -0.07 -0.15 -0.04 1.46 1.11 3n9mA1 LYS 438 HD2 -0.01 0.06 -0.07 -0.04 1.69 1.63 3n9mA1 LYS 438 HD3 -0.02 0.08 -0.05 -0.04 1.68 1.64 3n9mA1 LYS 438 HE2 -0.05 -0.06 -0.05 -0.04 2.99 2.79 3n9mA1 LYS 438 HE3 -0.06 -0.04 -0.03 -0.04 2.99 2.82 3n9mA1 PRO 439 HA -1.31 0.10 0.50 -0.51 4.44 3.23 3n9mA1 PRO 439 HB2 -0.48 -0.01 -0.11 -0.04 2.28 1.64 3n9mA1 PRO 439 HB3 -0.79 -0.00 0.02 -0.04 2.02 1.21 3n9mA1 PRO 439 HG2 -0.13 -0.03 0.00 -0.04 2.03 1.83 3n9mA1 PRO 439 HG3 0.01 0.22 0.02 -0.04 2.03 2.24 3n9mA1 PRO 439 HD2 -0.15 0.06 0.15 -0.04 3.68 3.69 3n9mA1 PRO 439 HD3 -0.06 0.18 0.17 -0.04 3.65 3.90 3n9mA1 PRO 440 HA -0.27 0.20 0.28 -0.51 4.44 4.14 3n9mA1 PRO 440 HB2 -0.49 -0.23 -0.04 -0.04 2.28 1.48 3n9mA1 PRO 440 HB3 -0.14 0.18 0.07 -0.04 2.02 2.08 3n9mA1 PRO 440 HG2 -0.35 0.03 0.01 -0.04 2.03 1.67 3n9mA1 PRO 440 HG3 -0.31 0.07 0.01 -0.04 2.03 1.75 3n9mA1 PRO 440 HD2 -0.95 0.05 0.13 -0.04 3.68 2.87 3n9mA1 PRO 440 HD3 -1.10 0.21 0.15 -0.04 3.65 2.87 3n9mA1 ARG 441 H -0.14 0.44 0.23 -0.55 8.46 8.44 3n9mA1 ARG 441 HA -0.14 0.10 0.40 -0.75 4.34 3.94 3n9mA1 ARG 441 HB2 -0.08 0.13 0.22 -0.04 1.90 2.13 3n9mA1 ARG 441 HB3 -0.04 -0.04 0.14 -0.04 1.80 1.82 3n9mA1 ARG 441 HG2 -0.03 0.00 0.00 -0.04 1.67 1.60 3n9mA1 ARG 441 HG3 -0.02 -0.04 -0.15 -0.04 1.67 1.42 3n9mA1 ARG 441 HD2 -0.03 0.00 -0.00 -0.04 3.22 3.15 3n9mA1 ARG 441 HD3 -0.06 -0.04 0.08 -0.04 3.22 3.15 3n9mA1 PHE 442 H 0.06 0.17 -0.19 -0.55 8.34 7.83 3n9mA1 PHE 442 HA -0.08 0.08 0.28 -0.75 4.62 4.14 3n9mA1 PHE 442 HB2 -0.08 0.01 0.02 -0.04 3.15 3.06 3n9mA1 PHE 442 HB3 -0.11 0.02 0.05 -0.04 3.06 2.98 3n9mA1 PHE 442 HD2 -0.17 -0.01 -0.15 -0.04 7.28 6.91 3n9mA1 PHE 442 HE2 -0.55 0.01 -0.14 -0.04 7.38 6.66 3n9mA1 PHE 442 HZ -0.61 0.05 -0.14 -0.04 7.32 6.58 3n9mA1 VAL 443 H -0.98 0.22 -0.46 -0.55 8.24 6.47 3n9mA1 VAL 443 HA -0.91 0.05 0.49 -0.75 4.13 3.01 3n9mA1 VAL 443 HB -0.87 0.19 -0.01 -0.04 2.12 1.40 3n9mA1 VAL 443 HG13 -1.23 -0.00 -0.22 -0.04 0.97 -0.52 3n9mA1 VAL 443 HG23 -1.37 -0.02 -0.10 -0.04 0.95 -0.58 3n9mA1 GLN 444 H -0.34 0.47 -0.16 -0.55 8.47 7.90 3n9mA1 GLN 444 HA -0.14 0.00 0.45 -0.75 4.36 3.92 3n9mA1 GLN 444 HB2 -0.11 0.09 0.08 -0.04 2.15 2.17 3n9mA1 GLN 444 HB3 -0.07 -0.06 0.06 -0.04 2.02 1.92 3n9mA1 GLN 444 HG2 -0.17 -0.05 -0.03 -0.04 2.40 2.11 3n9mA1 GLN 444 HG3 -0.26 0.24 -0.15 -0.04 2.39 2.18 3n9mA1 GLN 444 HE21 -0.07 -0.02 -0.01 -0.04 6.97 6.82 3n9mA1 GLN 444 HE22 -0.07 -0.04 0.01 -0.04 7.69 7.54 3n9mA1 GLU 445 H -0.11 0.39 -0.28 -0.55 8.60 8.06 3n9mA1 GLU 445 HA 0.02 0.11 0.42 -0.75 4.29 4.08 3n9mA1 GLU 445 HB2 0.02 0.02 0.05 -0.04 2.09 2.15 3n9mA1 GLU 445 HB3 0.05 -0.04 0.04 -0.04 1.99 1.99 3n9mA1 GLU 445 HG2 0.02 -0.01 -0.00 -0.04 2.34 2.31 3n9mA1 GLU 445 HG3 -0.01 0.02 -0.05 -0.04 2.34 2.26 3n9mA1 ILE 446 H -0.04 0.19 -0.50 -0.55 8.25 7.36 3n9mA1 ILE 446 HA 0.14 0.20 0.93 -0.75 4.18 4.70 3n9mA1 ILE 446 HB 0.26 -0.20 0.08 -0.04 1.89 2.00 3n9mA1 ILE 446 HG12 -0.06 0.25 0.15 -0.04 1.49 1.79 3n9mA1 ILE 446 HG13 0.15 -0.00 -0.21 -0.04 1.21 1.11 3n9mA1 ILE 446 HG23 0.19 -0.01 -0.13 -0.04 0.93 0.94 3n9mA1 ILE 446 HD13 0.21 -0.05 -0.10 -0.04 0.88 0.90 3n9mA1 SER 447 H 0.01 0.34 -0.07 -0.55 8.46 8.20 3n9mA1 SER 447 HA 0.30 0.16 0.56 -0.75 4.49 4.76 3n9mA1 SER 447 HB2 0.02 0.12 0.12 -0.04 3.95 4.17 3n9mA1 SER 447 HB3 0.05 0.10 0.21 -0.04 3.93 4.24 3n9mA1 MET 448 H 0.19 0.65 0.39 -0.55 8.47 9.15 3n9mA1 MET 448 HA 0.23 0.12 0.42 -0.75 4.52 4.53 3n9mA1 MET 448 HB2 -0.03 -0.07 0.06 -0.04 2.15 2.07 3n9mA1 MET 448 HB3 -0.13 0.03 -0.02 -0.04 2.03 1.87 3n9mA1 MET 448 HG2 -0.58 0.01 -0.02 -0.04 2.63 2.00 3n9mA1 MET 448 HG3 -0.03 0.13 -0.01 -0.04 2.56 2.61 3n9mA1 MET 448 HE3 -0.80 0.02 -0.08 -0.04 2.10 1.19 3n9mA1 VAL 449 H 0.23 0.06 -0.04 -0.55 8.24 7.94 3n9mA1 VAL 449 HA 0.49 0.11 0.45 -0.75 4.13 4.43 3n9mA1 VAL 449 HB 0.21 -0.05 0.10 -0.04 2.12 2.34 3n9mA1 VAL 449 HG13 0.02 0.07 -0.03 -0.04 0.97 0.98 3n9mA1 VAL 449 HG23 0.27 -0.01 0.07 -0.04 0.95 1.24 3n9mA1 ASN 450 H 0.19 0.04 -0.31 -0.55 8.53 7.89 3n9mA1 ASN 450 HA 0.17 0.19 0.23 -0.75 4.76 4.60 3n9mA1 ASN 450 HB2 0.08 -0.10 0.10 -0.04 2.88 2.93 3n9mA1 ASN 450 HB3 0.09 0.25 0.06 -0.04 2.79 3.14 3n9mA1 ASN 450 HD21 0.02 -0.15 0.03 -0.04 7.03 6.89 3n9mA1 ASN 450 HD22 0.02 0.71 0.13 -0.04 7.74 8.57 3n9mA1 ARG 451 H 0.20 0.21 -0.69 -0.55 8.46 7.63 3n9mA1 ARG 451 HA 0.08 0.08 0.51 -0.75 4.34 4.25 3n9mA1 ARG 451 HB2 0.18 0.04 -0.04 -0.04 1.90 2.04 3n9mA1 ARG 451 HB3 0.27 0.09 0.10 -0.04 1.80 2.23 3n9mA1 ARG 451 HG2 0.08 -0.10 -0.04 -0.04 1.67 1.58 3n9mA1 ARG 451 HG3 -0.06 0.02 -0.16 -0.04 1.67 1.43 3n9mA1 ARG 451 HD2 0.02 0.04 0.10 -0.04 3.22 3.35 3n9mA1 ARG 451 HD3 0.07 0.00 -0.01 -0.04 3.22 3.24 3n9mA1 LEU 452 H 0.15 0.23 -0.21 -0.55 8.37 8.00 3n9mA1 LEU 452 HA -0.23 0.17 0.72 -0.75 4.35 4.26 3n9mA1 LEU 452 HB2 -0.11 0.04 0.06 -0.04 1.64 1.59 3n9mA1 LEU 452 HB3 -0.79 -0.06 -0.02 -0.04 1.64 0.73 3n9mA1 LEU 452 HG 0.06 0.00 -0.13 -0.04 1.64 1.52 3n9mA1 LEU 452 HD13 0.13 -0.05 -0.06 -0.04 0.93 0.90 3n9mA1 LEU 452 HD23 -0.24 0.01 -0.13 -0.04 0.89 0.49 3n9mA1 TRP 453 H 0.27 0.58 -0.00 -0.55 7.97 8.27 3n9mA1 TRP 453 HA -0.92 0.13 0.68 -0.75 4.62 3.76 3n9mA1 TRP 453 HB2 -0.10 0.02 0.13 -0.04 3.23 3.25 3n9mA1 TRP 453 HB3 -0.26 -0.01 0.09 -0.04 3.23 3.01 3n9mA1 TRP 453 HD1 -0.27 0.03 -0.12 -0.04 7.22 6.82 3n9mA1 TRP 453 HE1 0.01 0.32 -0.40 -0.04 10.20 10.09 3n9mA1 TRP 453 HE3 -0.00 0.17 0.09 -0.04 7.59 7.81 3n9mA1 TRP 453 HZ2 0.04 -0.03 -0.31 -0.04 7.44 7.09 3n9mA1 TRP 453 HZ3 0.06 -0.07 -0.02 -0.04 7.13 7.06 3n9mA1 TRP 453 HH2 0.06 -0.05 -0.11 -0.04 7.19 7.06 3n9mA1 PRO 454 HA 0.14 0.22 0.38 -0.51 4.44 4.67 3n9mA1 PRO 454 HB2 0.20 -0.15 -0.06 -0.04 2.28 2.23 3n9mA1 PRO 454 HB3 0.11 -0.01 0.07 -0.04 2.02 2.15 3n9mA1 PRO 454 HG2 0.10 0.04 -0.01 -0.04 2.03 2.12 3n9mA1 PRO 454 HG3 0.05 0.17 -0.15 -0.04 2.03 2.06 3n9mA1 PRO 454 HD2 0.20 0.09 -0.00 -0.04 3.68 3.92 3n9mA1 PRO 454 HD3 -0.14 0.13 -0.80 -0.04 3.65 2.80 3n9mA1 ASP 455 H 0.12 0.11 0.19 -0.55 8.40 8.27 3n9mA1 ASP 455 HA 0.14 0.15 0.37 -0.75 4.63 4.54 3n9mA1 ASP 455 HB2 0.05 0.03 0.16 -0.04 2.71 2.91 3n9mA1 ASP 455 HB3 0.05 -0.23 0.11 -0.04 2.70 2.59 3n9mA1 VAL 456 H 0.07 0.08 -0.04 -0.55 8.24 7.80 3n9mA1 VAL 456 HA 0.05 -0.01 0.34 -0.75 4.13 3.76 3n9mA1 VAL 456 HB 0.19 0.19 -0.41 -0.04 2.12 2.05 3n9mA1 VAL 456 HG13 0.13 -0.05 -0.52 -0.04 0.97 0.49 3n9mA1 VAL 456 HG23 0.10 0.01 -0.12 -0.04 0.95 0.90 3n9mA1 SER 457 H 0.05 0.28 -0.26 -0.55 8.46 7.99 3n9mA1 SER 457 HA -0.24 -0.08 0.34 -0.75 4.49 3.77 3n9mA1 SER 457 HB2 -0.08 0.02 0.06 -0.04 3.95 3.91 3n9mA1 SER 457 HB3 -0.21 -0.09 0.16 -0.04 3.93 3.75 3n9mA1 GLY 458 H 0.09 -0.34 -0.21 -0.55 8.43 7.42 3n9mA1 GLY 458 HA2 0.01 0.20 0.81 -0.51 4.01 4.52 3n9mA1 GLY 458 HA3 0.03 -0.01 0.44 -0.51 4.01 3.96 3n9mA1 ALA 459 H 0.03 0.20 0.19 -0.55 8.40 8.28 3n9mA1 ALA 459 HA 0.03 0.20 0.79 -0.75 4.34 4.61 3n9mA1 ALA 459 HB3 0.02 0.03 0.10 -0.04 1.41 1.52 3n9mA1 GLU 460 H 0.05 0.13 0.02 -0.55 8.60 8.24 3n9mA1 GLU 460 HA 0.03 0.13 0.41 -0.75 4.29 4.11 3n9mA1 GLU 460 HB2 0.05 0.00 0.03 -0.04 2.09 2.14 3n9mA1 GLU 460 HB3 0.05 0.07 -0.03 -0.04 1.99 2.04 3n9mA1 GLU 460 HG2 0.02 -0.05 0.02 -0.04 2.34 2.29 3n9mA1 GLU 460 HG3 0.03 0.06 0.01 -0.04 2.34 2.40 3n9mA1 TYR 461 H 0.15 -0.03 -0.62 -0.55 8.29 7.24 3n9mA1 TYR 461 HA -0.02 0.15 0.29 -0.75 4.56 4.23 3n9mA1 TYR 461 HB2 -0.05 -0.12 -0.03 -0.04 3.06 2.82 3n9mA1 TYR 461 HB3 -0.05 0.17 -0.05 -0.04 2.98 3.00 3n9mA1 TYR 461 HD2 -0.17 0.02 -0.11 -0.04 7.15 6.86 3n9mA1 TYR 461 HE2 -0.96 0.04 -0.08 -0.04 6.85 5.81 3n9mA1 ILE 462 H 0.04 0.21 -0.30 -0.55 8.25 7.66 3n9mA1 ILE 462 HA -0.20 0.06 0.30 -0.75 4.18 3.59 3n9mA1 ILE 462 HB -0.01 0.16 0.09 -0.04 1.89 2.09 3n9mA1 ILE 462 HG12 0.00 -0.00 0.03 -0.04 1.49 1.48 3n9mA1 ILE 462 HG13 0.05 0.04 0.08 -0.04 1.21 1.35 3n9mA1 ILE 462 HG23 -0.04 -0.00 -0.11 -0.04 0.93 0.74 3n9mA1 ILE 462 HD13 0.01 -0.01 0.04 -0.04 0.88 0.88 3n9mA1 LYS 463 H -0.04 0.15 -0.54 -0.55 8.42 7.43 3n9mA1 LYS 463 HA -0.05 0.15 0.60 -0.75 4.32 4.26 3n9mA1 LYS 463 HB2 -0.01 0.01 0.09 -0.04 1.87 1.92 3n9mA1 LYS 463 HB3 -0.02 0.02 -0.06 -0.04 1.79 1.69 3n9mA1 LYS 463 HG2 -0.02 0.02 -0.02 -0.04 1.46 1.41 3n9mA1 LYS 463 HG3 -0.02 -0.01 -0.07 -0.04 1.46 1.33 3n9mA1 LYS 463 HD2 -0.01 0.01 -0.03 -0.04 1.69 1.63 3n9mA1 LYS 463 HD3 -0.01 -0.01 -0.03 -0.04 1.68 1.59 3n9mA1 LYS 463 HE2 0.00 0.00 -0.07 -0.04 2.99 2.88 3n9mA1 LYS 463 HE3 0.00 0.00 -0.02 -0.04 2.99 2.93 3n9mA1 LEU 464 H -0.03 0.65 0.05 -0.55 8.37 8.50 3n9mA1 LEU 464 HA -0.01 0.08 0.34 -0.75 4.35 4.01 3n9mA1 LEU 464 HB2 0.03 0.01 0.09 -0.04 1.64 1.74 3n9mA1 LEU 464 HB3 0.03 -0.02 0.09 -0.04 1.64 1.70 3n9mA1 LEU 464 HG 0.15 0.23 -0.17 -0.04 1.64 1.81 3n9mA1 LEU 464 HD13 0.14 -0.03 -0.14 -0.04 0.93 0.86 3n9mA1 LEU 464 HD23 0.09 0.00 -0.07 -0.04 0.89 0.87 3n9mA1 LEU 465 H -0.18 0.40 -0.46 -0.55 8.37 7.58 3n9mA1 LEU 465 HA -0.03 0.03 0.72 -0.75 4.35 4.31 3n9mA1 LEU 465 HB2 -0.10 0.04 0.06 -0.04 1.64 1.60 3n9mA1 LEU 465 HB3 -0.49 0.09 -0.04 -0.04 1.64 1.16 3n9mA1 LEU 465 HG -0.17 -0.06 -0.18 -0.04 1.64 1.19 3n9mA1 LEU 465 HD13 -0.49 -0.01 -0.07 -0.04 0.93 0.31 3n9mA1 LEU 465 HD23 -0.39 0.07 -0.12 -0.04 0.89 0.41 3n9mA1 GLN 466 H -0.09 0.30 -0.51 -0.55 8.47 7.62 3n9mA1 GLN 466 HA -0.05 0.06 0.56 -0.75 4.36 4.17 3n9mA1 GLN 466 HB2 -0.06 0.19 0.30 -0.04 2.15 2.54 3n9mA1 GLN 466 HB3 -0.04 0.13 0.16 -0.04 2.02 2.23 3n9mA1 GLN 466 HG2 -0.03 -0.03 0.18 -0.04 2.40 2.48 3n9mA1 GLN 466 HG3 -0.04 -0.03 0.13 -0.04 2.39 2.42 3n9mA1 GLN 466 HE21 -0.02 -0.04 0.02 -0.04 6.97 6.89 3n9mA1 GLN 466 HE22 -0.02 -0.01 0.04 -0.04 7.69 7.66 3n9mA1 ARG 467 H -0.04 -0.09 -1.06 -0.55 8.46 6.72 3n9mA1 ARG 467 HA -0.02 0.14 0.54 -0.75 4.34 4.24 3n9mA1 ARG 467 HB2 -0.02 0.01 -0.03 -0.04 1.90 1.82 3n9mA1 ARG 467 HB3 -0.02 -0.01 0.12 -0.04 1.80 1.85 3n9mA1 ARG 467 HG2 -0.02 0.09 -0.18 -0.04 1.67 1.52 3n9mA1 ARG 467 HG3 -0.03 -0.02 -0.67 -0.04 1.67 0.91 3n9mA1 ARG 467 HD2 -0.01 -0.00 -0.06 -0.04 3.22 3.10 3n9mA1 ARG 467 HD3 -0.01 -0.03 -0.05 -0.04 3.22 3.09 3n9mA1 GLU 468 H -0.03 0.41 -0.13 -0.55 8.60 8.30 3n9mA1 GLU 468 HA -0.01 0.11 0.38 -0.75 4.29 4.02 3n9mA1 GLU 468 HB2 -0.02 0.17 -0.12 -0.04 2.09 2.08 3n9mA1 GLU 468 HB3 -0.03 -0.03 0.21 -0.04 1.99 2.10 3n9mA1 GLU 468 HG2 -0.01 0.05 0.06 -0.04 2.34 2.41 3n9mA1 GLU 468 HG3 -0.01 -0.02 -0.15 -0.04 2.34 2.12 3n9mA1 GLU 469 H -0.02 0.10 -0.42 -0.55 8.60 7.72 3n9mA1 GLU 469 HA -0.07 0.09 0.63 -0.75 4.29 4.19 3n9mA1 GLU 469 HB2 -0.03 -0.05 0.09 -0.04 2.09 2.06 3n9mA1 GLU 469 HB3 -0.00 0.39 0.24 -0.04 1.99 2.58 3n9mA1 GLU 469 HG2 0.00 -0.10 0.08 -0.04 2.34 2.29 3n9mA1 GLU 469 HG3 0.04 -0.07 0.15 -0.04 2.34 2.42 3n9mA1 TYR 470 H 0.02 0.06 -1.01 -0.55 8.29 6.81 3n9mA1 TYR 470 HA -0.12 0.23 0.34 -0.75 4.56 4.26 3n9mA1 TYR 470 HB2 0.04 -0.01 -0.24 -0.04 3.06 2.80 3n9mA1 TYR 470 HB3 0.04 -0.10 0.02 -0.04 2.98 2.90 3n9mA1 TYR 470 HD2 0.24 0.08 -0.13 -0.04 7.15 7.30 3n9mA1 TYR 470 HE2 0.31 0.19 -0.16 -0.04 6.85 7.14 3n9mA1 LEU 471 H -0.81 0.33 0.10 -0.55 8.37 7.45 3n9mA1 LEU 471 HA -0.10 0.08 0.51 -0.75 4.35 4.09 3n9mA1 LEU 471 HB2 -1.31 0.01 -0.04 -0.04 1.64 0.25 3n9mA1 LEU 471 HB3 -0.15 -0.03 0.09 -0.04 1.64 1.51 3n9mA1 LEU 471 HG -0.68 0.11 0.04 -0.04 1.64 1.07 3n9mA1 LEU 471 HD13 -1.22 -0.03 -0.07 -0.04 0.93 -0.43 3n9mA1 LEU 471 HD23 -0.19 -0.01 0.02 -0.04 0.89 0.67 3n9mA1 PRO 472 HA 0.24 0.04 0.46 -0.51 4.44 4.67 3n9mA1 PRO 472 HB2 0.22 -0.07 0.07 -0.04 2.28 2.45 3n9mA1 PRO 472 HB3 0.15 0.02 0.11 -0.04 2.02 2.26 3n9mA1 PRO 472 HG2 0.12 0.05 0.10 -0.04 2.03 2.26 3n9mA1 PRO 472 HG3 0.10 0.07 0.12 -0.04 2.03 2.28 3n9mA1 PRO 472 HD2 0.12 0.09 0.19 -0.04 3.68 4.03 3n9mA1 PRO 472 HD3 0.06 0.18 0.22 -0.04 3.65 4.07 3n9mA1 GLU 473 H 0.28 0.14 0.20 -0.55 8.60 8.67 3n9mA1 GLU 473 HA 0.39 0.17 0.36 -0.75 4.29 4.45 3n9mA1 GLU 473 HB2 0.27 0.05 0.13 -0.04 2.09 2.50 3n9mA1 GLU 473 HB3 0.15 -0.05 0.09 -0.04 1.99 2.14 3n9mA1 GLU 473 HG2 0.08 -0.01 -0.01 -0.04 2.34 2.36 3n9mA1 GLU 473 HG3 0.07 0.00 -0.11 -0.04 2.34 2.27 3n9mA1 ASP 474 H 0.14 0.04 -0.19 -0.55 8.40 7.84 3n9mA1 ASP 474 HA 0.03 0.14 0.42 -0.75 4.63 4.46 3n9mA1 ASP 474 HB2 0.04 0.07 0.07 -0.04 2.71 2.84 3n9mA1 ASP 474 HB3 0.05 -0.01 0.07 -0.04 2.70 2.77 3n9mA1 GLN 475 H 0.20 0.28 -0.58 -0.55 8.47 7.82 3n9mA1 GLN 475 HA 0.08 0.12 0.62 -0.75 4.36 4.42 3n9mA1 GLN 475 HB2 0.47 0.19 -0.01 -0.04 2.15 2.75 3n9mA1 GLN 475 HB3 0.37 -0.07 0.00 -0.04 2.02 2.29 3n9mA1 GLN 475 HG2 0.14 0.01 -0.04 -0.04 2.40 2.48 3n9mA1 GLN 475 HG3 0.16 -0.10 -0.10 -0.04 2.39 2.31 3n9mA1 GLN 475 HE21 0.09 0.00 0.05 -0.04 6.97 7.07 3n9mA1 GLN 475 HE22 0.10 -0.02 0.02 -0.04 7.69 7.75 3n9mA1 ARG 476 H -0.19 0.26 -0.32 -0.55 8.46 7.65 3n9mA1 ARG 476 HA -2.15 0.03 0.36 -0.75 4.34 1.82 3n9mA1 ARG 476 HB2 -1.82 -0.01 0.04 -0.04 1.90 0.06 3n9mA1 ARG 476 HB3 -0.50 0.09 0.08 -0.04 1.80 1.43 3n9mA1 ARG 476 HG2 -0.52 0.14 -0.34 -0.04 1.67 0.91 3n9mA1 ARG 476 HG3 -1.22 -0.05 0.01 -0.04 1.67 0.37 3n9mA1 ARG 476 HD2 -0.09 -0.00 -0.03 -0.04 3.22 3.05 3n9mA1 ARG 476 HD3 -0.17 0.01 -0.02 -0.04 3.22 2.99 3n9mA1 PRO 477 HA -0.19 0.09 0.57 -0.51 4.44 4.40 3n9mA1 PRO 477 HB2 -0.07 -0.13 0.06 -0.04 2.28 2.09 3n9mA1 PRO 477 HB3 -0.24 0.06 0.04 -0.04 2.02 1.84 3n9mA1 PRO 477 HG2 0.17 -0.09 0.05 -0.04 2.03 2.11 3n9mA1 PRO 477 HG3 0.04 0.20 0.01 -0.04 2.03 2.24 3n9mA1 PRO 477 HD2 -0.89 -0.01 0.21 -0.04 3.68 2.96 3n9mA1 PRO 477 HD3 -0.89 0.28 0.24 -0.04 3.65 3.23 3n9mA1 LYS 478 H -0.14 0.82 0.28 -0.55 8.42 8.83 3n9mA1 LYS 478 HA -0.10 0.09 0.74 -0.75 4.32 4.30 3n9mA1 LYS 478 HB2 -0.11 0.12 -0.02 -0.04 1.87 1.82 3n9mA1 LYS 478 HB3 -0.09 -0.12 0.05 -0.04 1.79 1.59 3n9mA1 LYS 478 HG2 -0.07 -0.16 -0.06 -0.04 1.46 1.13 3n9mA1 LYS 478 HG3 -0.08 0.08 -0.08 -0.04 1.46 1.34 3n9mA1 LYS 478 HD2 -0.04 0.02 -0.09 -0.04 1.69 1.54 3n9mA1 LYS 478 HD3 -0.07 0.08 -0.06 -0.04 1.68 1.59 3n9mA1 LYS 478 HE2 -0.04 0.02 -0.02 -0.04 2.99 2.90 3n9mA1 LYS 478 HE3 -0.06 -0.08 -0.02 -0.04 2.99 2.79 3n9mA1 VAL 479 H -0.01 0.21 0.04 -0.55 8.24 7.93 3n9mA1 VAL 479 HA 0.07 0.15 0.91 -0.75 4.13 4.51 3n9mA1 VAL 479 HB 0.37 -0.03 0.09 -0.04 2.12 2.50 3n9mA1 VAL 479 HG13 -0.08 -0.02 -0.30 -0.04 0.97 0.54 3n9mA1 VAL 479 HG23 0.09 0.07 -0.18 -0.04 0.95 0.88 3n9mA1 GLU 480 H 0.02 0.08 0.14 -0.55 8.60 8.29 3n9mA1 GLU 480 HA 0.15 0.15 0.70 -0.75 4.29 4.54 3n9mA1 GLU 480 HB2 0.11 -0.03 0.12 -0.04 2.09 2.25 3n9mA1 GLU 480 HB3 0.04 0.04 0.05 -0.04 1.99 2.08 3n9mA1 GLU 480 HG2 0.12 0.02 0.04 -0.04 2.34 2.47 3n9mA1 GLU 480 HG3 0.23 0.06 -0.04 -0.04 2.34 2.54 3n9mA1 GLN 481 H -0.12 -0.01 -0.16 -0.55 8.47 7.64 3n9mA1 GLN 481 HA -0.25 0.42 0.94 -0.75 4.36 4.72 3n9mA1 GLN 481 HB2 -0.57 -0.23 0.08 -0.04 2.15 1.38 3n9mA1 GLN 481 HB3 -1.09 0.10 -0.03 -0.04 2.02 0.96 3n9mA1 GLN 481 HG2 -0.02 0.14 -0.06 -0.04 2.40 2.42 3n9mA1 GLN 481 HG3 -0.08 -0.18 -0.36 -0.04 2.39 1.73 3n9mA1 GLN 481 HE21 0.18 0.15 0.03 -0.04 6.97 7.29 3n9mA1 GLN 481 HE22 0.26 0.47 0.16 -0.04 7.69 8.54 3n9mA1 PHE 482 H -0.62 0.86 0.22 -0.55 8.34 8.24 3n9mA1 PHE 482 HA -0.16 0.17 1.07 -0.75 4.62 4.94 3n9mA1 PHE 482 HB2 -0.02 0.29 -0.22 -0.04 3.15 3.17 3n9mA1 PHE 482 HB3 -0.08 -0.16 -0.30 -0.04 3.06 2.48 3n9mA1 PHE 482 HD2 -0.01 0.03 -0.43 -0.04 7.28 6.83 3n9mA1 PHE 482 HE2 0.04 -0.01 -0.27 -0.04 7.38 7.10 3n9mA1 PHE 482 HZ 0.16 0.03 -0.18 -0.04 7.32 7.29 3n9mA1 CYS 483 H 0.30 0.64 0.35 -0.55 8.50 9.24 3n9mA1 CYS 483 HA -0.32 0.24 1.14 -0.75 4.58 4.89 3n9mA1 CYS 483 HB2 -0.20 -0.04 0.05 -0.04 2.97 2.73 3n9mA1 CYS 483 HB3 0.04 -0.01 0.16 -0.04 2.97 3.12 3n9mA1 LEU 484 H -0.18 0.65 0.30 -0.55 8.37 8.60 3n9mA1 LEU 484 HA 0.01 0.22 0.89 -0.75 4.35 4.72 3n9mA1 LEU 484 HB2 0.18 -0.00 -0.27 -0.04 1.64 1.51 3n9mA1 LEU 484 HB3 -0.01 -0.12 -0.01 -0.04 1.64 1.45 3n9mA1 LEU 484 HG -0.02 -0.03 -0.16 -0.04 1.64 1.38 3n9mA1 LEU 484 HD13 -0.07 0.04 -0.07 -0.04 0.93 0.79 3n9mA1 LEU 484 HD23 0.24 -0.03 -0.19 -0.04 0.89 0.87 3n9mA1 ALA 485 H -1.32 0.16 0.19 -0.55 8.40 6.89 3n9mA1 ALA 485 HA -0.23 0.38 1.09 -0.75 4.34 4.83 3n9mA1 ALA 485 HB3 -0.68 -0.03 0.09 -0.04 1.41 0.75 3n9mA1 GLY 486 H 0.07 0.57 0.34 -0.55 8.43 8.87 3n9mA1 GLY 486 HA2 0.08 0.10 0.89 -0.51 4.01 4.57 3n9mA1 GLY 486 HA3 0.04 0.05 0.20 -0.51 4.01 3.80 3n9mA1 MET 487 H 0.10 0.13 0.04 -0.55 8.47 8.20 3n9mA1 MET 487 HA -0.00 0.07 0.76 -0.75 4.52 4.60 3n9mA1 MET 487 HB2 -0.03 -0.11 0.04 -0.04 2.15 2.01 3n9mA1 MET 487 HB3 -0.08 0.15 0.09 -0.04 2.03 2.15 3n9mA1 MET 487 HG2 -0.10 0.05 0.03 -0.04 2.63 2.57 3n9mA1 MET 487 HG3 0.11 0.24 0.10 -0.04 2.56 2.97 3n9mA1 MET 487 HE3 -0.15 0.04 -0.16 -0.04 2.10 1.80 3n9mA1 ALA 488 H -0.05 0.07 0.10 -0.55 8.40 7.97 3n9mA1 ALA 488 HA 0.04 0.20 0.12 -0.75 4.34 3.94 3n9mA1 ALA 488 HB3 -0.01 -0.00 0.03 -0.04 1.41 1.39 3n9mA1 GLY 489 H 0.06 0.52 0.28 -0.55 8.43 8.76 3n9mA1 GLY 489 HA2 0.09 -0.02 0.27 -0.51 4.01 3.85 3n9mA1 GLY 489 HA3 0.07 0.10 0.62 -0.51 4.01 4.30 3n9mA1 SER 490 H 0.07 0.32 -0.04 -0.55 8.46 8.26 3n9mA1 SER 490 HA 0.05 0.06 0.50 -0.75 4.49 4.35 3n9mA1 SER 490 HB2 0.05 0.26 0.08 -0.04 3.95 4.30 3n9mA1 SER 490 HB3 0.04 -0.04 -0.15 -0.04 3.93 3.74 3n9mA1 TYR 491 H 0.15 0.21 0.16 -0.55 8.29 8.26 3n9mA1 TYR 491 HA 0.10 0.26 0.86 -0.75 4.56 5.02 3n9mA1 TYR 491 HB2 0.21 0.04 -0.15 -0.04 3.06 3.12 3n9mA1 TYR 491 HB3 0.13 0.04 0.04 -0.04 2.98 3.15 3n9mA1 TYR 491 HD2 0.09 -0.02 -0.20 -0.04 7.15 6.98 3n9mA1 TYR 491 HE2 -0.07 -0.07 -0.21 -0.04 6.85 6.46 3n9mA1 THR 492 H -0.48 0.74 0.27 -0.55 8.28 8.26 3n9mA1 THR 492 HA -0.20 0.13 0.87 -0.75 4.39 4.44 3n9mA1 THR 492 HB -0.21 -0.05 0.10 -0.04 4.32 4.12 3n9mA1 THR 492 HG23 -0.20 0.04 -0.15 -0.04 1.22 0.87 3n9mA1 ASP 493 H -0.14 0.12 0.06 -0.55 8.40 7.89 3n9mA1 ASP 493 HA -0.15 0.03 0.30 -0.75 4.63 4.04 3n9mA1 ASP 493 HB2 0.13 -0.00 0.03 -0.04 2.71 2.83 3n9mA1 ASP 493 HB3 0.10 0.10 -0.04 -0.04 2.70 2.82 3n9mA1 PHE 494 H 0.19 -0.00 0.09 -0.55 8.34 8.06 3n9mA1 PHE 494 HA -0.04 0.23 0.07 -0.75 4.62 4.12 3n9mA1 PHE 494 HB2 -0.08 -0.04 0.04 -0.04 3.15 3.03 3n9mA1 PHE 494 HB3 -0.24 0.03 -0.17 -0.04 3.06 2.64 3n9mA1 PHE 494 HD2 -0.05 -0.00 -0.16 -0.04 7.28 7.03 3n9mA1 PHE 494 HE2 -0.61 0.02 -0.17 -0.04 7.38 6.57 3n9mA1 PHE 494 HZ -0.28 0.03 -0.12 -0.04 7.32 6.91 3n9mA1 HIS 495 H -0.40 0.49 0.33 -0.55 8.41 8.29 3n9mA1 HIS 495 HA 0.07 0.09 0.55 -0.75 4.63 4.59 3n9mA1 HIS 495 HB2 -0.03 -0.03 -0.02 -0.04 3.26 3.14 3n9mA1 HIS 495 HB3 -0.02 0.11 -0.11 -0.04 3.20 3.14 3n9mA1 HIS 495 HD2 -0.05 -0.09 -0.32 -0.04 6.97 6.46 3n9mA1 HIS 495 HE1 -0.10 -0.08 -0.17 -0.04 7.75 7.36 3n9mA1 VAL 496 H -0.03 0.19 0.09 -0.55 8.24 7.94 3n9mA1 VAL 496 HA -0.22 0.31 0.80 -0.75 4.13 4.28 3n9mA1 VAL 496 HB -0.12 -0.06 0.05 -0.04 2.12 1.95 3n9mA1 VAL 496 HG13 -0.08 0.03 -0.16 -0.04 0.97 0.72 3n9mA1 VAL 496 HG23 -0.56 0.02 -0.16 -0.04 0.95 0.21 3n9mA1 ASP 497 H 0.05 0.24 -0.02 -0.55 8.40 8.12 3n9mA1 ASP 497 HA 0.09 0.02 0.27 -0.75 4.63 4.25 3n9mA1 ASP 497 HB2 0.02 0.12 0.04 -0.04 2.71 2.84 3n9mA1 ASP 497 HB3 -0.26 0.00 -0.08 -0.04 2.70 2.32 3n9mA1 PHE 498 H -0.12 0.12 0.11 -0.55 8.34 7.90 3n9mA1 PHE 498 HA 0.14 0.08 0.34 -0.75 4.62 4.42 3n9mA1 PHE 498 HB2 0.15 -0.22 -0.01 -0.04 3.15 3.02 3n9mA1 PHE 498 HB3 0.06 0.27 0.11 -0.04 3.06 3.46 3n9mA1 PHE 498 HD2 0.28 0.02 -0.10 -0.04 7.28 7.44 3n9mA1 PHE 498 HE2 0.07 0.03 -0.10 -0.04 7.38 7.33 3n9mA1 PHE 498 HZ 0.10 0.03 -0.06 -0.04 7.32 7.34 3n9mA1 GLY 499 H 0.17 0.15 0.16 -0.55 8.43 8.36 3n9mA1 GLY 499 HA2 -0.33 0.03 0.32 -0.51 4.01 3.52 3n9mA1 GLY 499 HA3 0.05 0.04 0.36 -0.51 4.01 3.96 3n9mA1 GLY 500 H 0.02 0.34 -0.36 -0.55 8.43 7.88 3n9mA1 GLY 500 HA2 -0.01 0.03 0.24 -0.51 4.01 3.75 3n9mA1 GLY 500 HA3 -0.01 0.01 0.50 -0.51 4.01 3.99 3n9mA1 SER 501 H -0.01 0.37 -0.38 -0.55 8.46 7.89 3n9mA1 SER 501 HA -0.05 0.03 0.36 -0.75 4.49 4.08 3n9mA1 SER 501 HB2 0.07 -0.06 -0.10 -0.04 3.95 3.82 3n9mA1 SER 501 HB3 0.24 -0.05 -0.14 -0.04 3.93 3.94 3n9mA1 SER 502 H -0.34 0.51 0.34 -0.55 8.46 8.42 3n9mA1 SER 502 HA -0.24 0.27 0.59 -0.75 4.49 4.36 3n9mA1 SER 502 HB2 -1.63 -0.07 0.05 -0.04 3.95 2.26 3n9mA1 SER 502 HB3 -0.38 0.08 0.04 -0.04 3.93 3.64 3n9mA1 VAL 503 H 0.01 0.72 0.35 -0.55 8.24 8.76 3n9mA1 VAL 503 HA 0.20 0.39 1.20 -0.75 4.13 5.16 3n9mA1 VAL 503 HB 0.03 -0.08 0.02 -0.04 2.12 2.05 3n9mA1 VAL 503 HG13 0.20 0.00 -0.18 -0.04 0.97 0.95 3n9mA1 VAL 503 HG23 0.04 0.02 -0.25 -0.04 0.95 0.71 3n9mA1 TYR 504 H 0.15 0.48 0.34 -0.55 8.29 8.70 3n9mA1 TYR 504 HA 0.17 0.31 0.91 -0.75 4.56 5.20 3n9mA1 TYR 504 HB2 -0.01 -0.02 0.09 -0.04 3.06 3.08 3n9mA1 TYR 504 HB3 0.06 -0.04 0.06 -0.04 2.98 3.01 3n9mA1 TYR 504 HD2 -0.02 0.00 -0.18 -0.04 7.15 6.91 3n9mA1 TYR 504 HE2 -0.09 0.08 -0.20 -0.04 6.85 6.60 3n9mA1 TYR 505 H 0.25 0.29 0.14 -0.55 8.29 8.43 3n9mA1 TYR 505 HA -0.01 0.19 0.90 -0.75 4.56 4.88 3n9mA1 TYR 505 HB2 0.02 -0.01 -0.42 -0.04 3.06 2.61 3n9mA1 TYR 505 HB3 -0.05 -0.07 0.11 -0.04 2.98 2.92 3n9mA1 TYR 505 HD2 0.13 -0.02 -0.21 -0.04 7.15 7.01 3n9mA1 TYR 505 HE2 0.28 0.00 -0.23 -0.04 6.85 6.86 3n9mA1 HIS 506 H 0.04 0.99 0.39 -0.55 8.41 9.28 3n9mA1 HIS 506 HA 0.03 0.21 1.09 -0.75 4.63 5.21 3n9mA1 HIS 506 HB2 0.05 -0.07 -0.04 -0.04 3.26 3.16 3n9mA1 HIS 506 HB3 0.06 0.01 0.13 -0.04 3.20 3.36 3n9mA1 HIS 506 HD2 0.03 -0.11 -0.30 -0.04 6.97 6.55 3n9mA1 HIS 506 HE1 -0.02 0.09 0.01 -0.04 7.75 7.78 3n9mA1 ILE 507 H -0.35 0.70 0.17 -0.55 8.25 8.22 3n9mA1 ILE 507 HA -0.10 0.08 0.71 -0.75 4.18 4.12 3n9mA1 ILE 507 HB -0.12 0.08 0.07 -0.04 1.89 1.88 3n9mA1 ILE 507 HG12 0.02 0.05 -0.14 -0.04 1.49 1.38 3n9mA1 ILE 507 HG13 0.06 0.04 -0.30 -0.04 1.21 0.98 3n9mA1 ILE 507 HG23 0.01 -0.01 -0.52 -0.04 0.93 0.38 3n9mA1 ILE 507 HD13 0.19 -0.02 -0.29 -0.04 0.88 0.72 3n9mA1 LEU 508 H 0.05 0.38 0.36 -0.55 8.37 8.62 3n9mA1 LEU 508 HA 0.11 0.06 0.50 -0.75 4.35 4.27 3n9mA1 LEU 508 HB2 0.32 -0.01 -0.00 -0.04 1.64 1.90 3n9mA1 LEU 508 HB3 0.21 0.02 -0.05 -0.04 1.64 1.78 3n9mA1 LEU 508 HG 0.19 -0.01 -0.09 -0.04 1.64 1.69 3n9mA1 LEU 508 HD13 0.12 0.02 -0.10 -0.04 0.93 0.93 3n9mA1 LEU 508 HD23 0.20 -0.02 -0.19 -0.04 0.89 0.84 3n9mA1 LYS 509 H 0.05 0.44 0.10 -0.55 8.42 8.46 3n9mA1 LYS 509 HA 0.06 0.08 0.74 -0.75 4.32 4.45 3n9mA1 LYS 509 HB2 0.10 -0.07 0.01 -0.04 1.87 1.88 3n9mA1 LYS 509 HB3 0.10 0.04 -0.04 -0.04 1.79 1.85 3n9mA1 LYS 509 HG2 0.08 0.00 0.14 -0.04 1.46 1.65 3n9mA1 LYS 509 HG3 0.11 0.12 -0.07 -0.04 1.46 1.57 3n9mA1 LYS 509 HD2 0.12 -0.08 -0.06 -0.04 1.69 1.63 3n9mA1 LYS 509 HD3 0.10 0.02 -0.02 -0.04 1.68 1.74 3n9mA1 LYS 509 HE2 0.08 -0.01 -0.02 -0.04 2.99 3.00 3n9mA1 LYS 509 HE3 0.09 0.22 -0.06 -0.04 2.99 3.20 3n9mA1 GLY 510 H 0.05 0.10 0.16 -0.55 8.43 8.19 3n9mA1 GLY 510 HA2 0.06 0.00 0.30 -0.51 4.01 3.86 3n9mA1 GLY 510 HA3 0.07 0.30 0.67 -0.51 4.01 4.55 3n9mA1 GLU 511 H 0.07 0.34 0.16 -0.55 8.60 8.63 3n9mA1 GLU 511 HA 0.07 0.30 0.85 -0.75 4.29 4.76 3n9mA1 GLU 511 HB2 0.05 -0.03 -0.10 -0.04 2.09 1.97 3n9mA1 GLU 511 HB3 0.05 -0.09 -0.04 -0.04 1.99 1.88 3n9mA1 GLU 511 HG2 0.07 -0.02 -0.38 -0.04 2.34 1.97 3n9mA1 GLU 511 HG3 0.06 0.09 -0.11 -0.04 2.34 2.34 3n9mA1 LYS 512 H 0.12 0.66 0.33 -0.55 8.42 8.97 3n9mA1 LYS 512 HA 0.13 0.28 1.01 -0.75 4.32 4.99 3n9mA1 LYS 512 HB2 0.36 -0.04 -0.02 -0.04 1.87 2.13 3n9mA1 LYS 512 HB3 0.27 0.02 -0.09 -0.04 1.79 1.94 3n9mA1 LYS 512 HG2 0.21 -0.08 -0.52 -0.04 1.46 1.03 3n9mA1 LYS 512 HG3 0.49 -0.02 -0.23 -0.04 1.46 1.65 3n9mA1 LYS 512 HD2 0.16 -0.02 -0.23 -0.04 1.69 1.56 3n9mA1 LYS 512 HD3 0.14 0.10 -0.08 -0.04 1.68 1.80 3n9mA1 LYS 512 HE2 0.14 -0.01 -0.24 -0.04 2.99 2.84 3n9mA1 LYS 512 HE3 0.28 -0.01 -0.26 -0.04 2.99 2.96 3n9mA1 ILE 513 H 0.09 0.76 0.33 -0.55 8.25 8.88 3n9mA1 ILE 513 HA 0.04 0.22 1.06 -0.75 4.18 4.74 3n9mA1 ILE 513 HB 0.04 -0.07 0.13 -0.04 1.89 1.96 3n9mA1 ILE 513 HG12 0.04 0.01 -0.17 -0.04 1.49 1.33 3n9mA1 ILE 513 HG13 0.08 -0.02 -0.22 -0.04 1.21 1.01 3n9mA1 ILE 513 HG23 -0.26 0.01 -0.18 -0.04 0.93 0.46 3n9mA1 ILE 513 HD13 0.07 -0.00 -0.11 -0.04 0.88 0.81 3n9mA1 PHE 514 H 0.12 0.72 0.28 -0.55 8.34 8.91 3n9mA1 PHE 514 HA -0.05 0.24 0.94 -0.75 4.62 4.99 3n9mA1 PHE 514 HB2 -0.09 0.05 0.07 -0.04 3.15 3.13 3n9mA1 PHE 514 HB3 -0.05 -0.01 -0.16 -0.04 3.06 2.81 3n9mA1 PHE 514 HD2 -0.11 -0.03 -0.28 -0.04 7.28 6.82 3n9mA1 PHE 514 HE2 -0.36 -0.01 -0.22 -0.04 7.38 6.75 3n9mA1 PHE 514 HZ -1.16 -0.01 -0.22 -0.04 7.32 5.89 3n9mA1 TYR 515 H 0.20 0.76 0.34 -0.55 8.29 9.04 3n9mA1 TYR 515 HA 0.33 0.51 1.09 -0.75 4.56 5.73 3n9mA1 TYR 515 HB2 0.25 -0.17 0.14 -0.04 3.06 3.24 3n9mA1 TYR 515 HB3 0.59 0.02 -0.02 -0.04 2.98 3.53 3n9mA1 TYR 515 HD2 0.35 0.06 -0.21 -0.04 7.15 7.31 3n9mA1 TYR 515 HE2 0.29 0.03 -0.12 -0.04 6.85 7.01 3n9mA1 ILE 516 H 0.37 0.50 0.24 -0.55 8.25 8.82 3n9mA1 ILE 516 HA 0.45 0.45 1.11 -0.75 4.18 5.45 3n9mA1 ILE 516 HB 0.60 -0.01 -0.08 -0.04 1.89 2.36 3n9mA1 ILE 516 HG12 0.25 0.07 -0.12 -0.04 1.49 1.65 3n9mA1 ILE 516 HG13 0.43 -0.04 -0.26 -0.04 1.21 1.30 3n9mA1 ILE 516 HG23 0.27 -0.01 -0.37 -0.04 0.93 0.79 3n9mA1 ILE 516 HD13 -0.02 -0.01 -0.19 -0.04 0.88 0.62 3n9mA1 ALA 517 H 0.36 0.52 0.24 -0.55 8.40 8.97 3n9mA1 ALA 517 HA 0.11 0.20 0.68 -0.75 4.34 4.57 3n9mA1 ALA 517 HB3 0.07 -0.02 -0.12 -0.04 1.41 1.31 3n9mA1 ALA 518 H -0.28 0.15 0.13 -0.55 8.40 7.85 3n9mA1 ALA 518 HA -2.20 0.14 0.36 -0.75 4.34 1.88 3n9mA1 ALA 518 HB3 -0.52 0.01 0.07 -0.04 1.41 0.92 3n9mA1 PRO 519 HA -0.77 0.13 0.46 -0.51 4.44 3.74 3n9mA1 PRO 519 HB2 -0.31 -0.04 0.17 -0.04 2.28 2.05 3n9mA1 PRO 519 HB3 -0.21 0.08 -0.15 -0.04 2.02 1.70 3n9mA1 PRO 519 HG2 -0.40 -0.03 0.06 -0.04 2.03 1.61 3n9mA1 PRO 519 HG3 -0.36 0.23 0.09 -0.04 2.03 1.95 3n9mA1 PRO 519 HD2 -1.31 0.09 0.15 -0.04 3.68 2.56 3n9mA1 PRO 519 HD3 -1.95 0.12 0.07 -0.04 3.65 1.84 3n9mA1 THR 520 H -0.49 0.43 -0.05 -0.55 8.28 7.62 3n9mA1 THR 520 HA -0.35 0.23 0.82 -0.75 4.39 4.34 3n9mA1 THR 520 HB -0.18 -0.08 0.12 -0.04 4.32 4.14 3n9mA1 THR 520 HG23 -0.22 0.04 -0.08 -0.04 1.22 0.92 3n9mA1 GLU 521 H -0.18 0.20 0.13 -0.55 8.60 8.21 3n9mA1 GLU 521 HA -0.05 0.12 0.38 -0.75 4.29 3.98 3n9mA1 GLU 521 HB2 -0.06 -0.02 0.16 -0.04 2.09 2.13 3n9mA1 GLU 521 HB3 -0.01 0.05 -0.03 -0.04 1.99 1.95 3n9mA1 GLU 521 HG2 0.05 0.03 0.04 -0.04 2.34 2.42 3n9mA1 GLU 521 HG3 -0.02 0.02 0.06 -0.04 2.34 2.36 3n9mA1 GLN 522 H -0.09 0.10 -0.12 -0.55 8.47 7.81 3n9mA1 GLN 522 HA -0.01 0.10 0.43 -0.75 4.36 4.14 3n9mA1 GLN 522 HB2 -0.04 0.02 0.08 -0.04 2.15 2.16 3n9mA1 GLN 522 HB3 -0.06 -0.01 0.05 -0.04 2.02 1.96 3n9mA1 GLN 522 HG2 -0.03 0.05 -0.03 -0.04 2.40 2.34 3n9mA1 GLN 522 HG3 -0.03 0.04 -0.19 -0.04 2.39 2.16 3n9mA1 GLN 522 HE21 0.00 0.03 -0.03 -0.04 6.97 6.93 3n9mA1 GLN 522 HE22 -0.01 0.03 -0.06 -0.04 7.69 7.61 3n9mA1 ASN 523 H -0.13 0.05 -0.22 -0.55 8.53 7.68 3n9mA1 ASN 523 HA 0.05 0.05 0.37 -0.75 4.76 4.47 3n9mA1 ASN 523 HB2 -0.26 0.03 0.17 -0.04 2.88 2.78 3n9mA1 ASN 523 HB3 -0.04 0.04 -0.00 -0.04 2.79 2.75 3n9mA1 ASN 523 HD21 -0.14 -0.04 0.04 -0.04 7.03 6.85 3n9mA1 ASN 523 HD22 -0.25 0.58 0.12 -0.04 7.74 8.14 3n9mA1 PHE 524 H -0.06 0.47 -0.28 -0.55 8.34 7.92 3n9mA1 PHE 524 HA 0.05 0.05 0.50 -0.75 4.62 4.46 3n9mA1 PHE 524 HB2 -0.01 0.07 0.13 -0.04 3.15 3.31 3n9mA1 PHE 524 HB3 0.03 -0.04 -0.04 -0.04 3.06 2.97 3n9mA1 PHE 524 HD2 -0.05 -0.04 -0.12 -0.04 7.28 7.03 3n9mA1 PHE 524 HE2 -0.11 0.10 -0.06 -0.04 7.38 7.27 3n9mA1 PHE 524 HZ -0.11 -0.00 0.01 -0.04 7.32 7.18 3n9mA1 ALA 525 H 0.15 0.66 0.02 -0.55 8.40 8.68 3n9mA1 ALA 525 HA 0.08 -0.01 0.39 -0.75 4.34 4.05 3n9mA1 ALA 525 HB3 0.05 0.02 0.12 -0.04 1.41 1.56 3n9mA1 ALA 526 H 0.11 0.68 -0.16 -0.55 8.40 8.49 3n9mA1 ALA 526 HA 0.10 0.01 0.41 -0.75 4.34 4.10 3n9mA1 ALA 526 HB3 0.13 0.02 0.06 -0.04 1.41 1.57 3n9mA1 TYR 527 H 0.28 0.58 -0.15 -0.55 8.29 8.45 3n9mA1 TYR 527 HA -0.26 -0.04 0.37 -0.75 4.56 3.88 3n9mA1 TYR 527 HB2 -0.27 0.01 0.09 -0.04 3.06 2.84 3n9mA1 TYR 527 HB3 -0.01 0.09 0.21 -0.04 2.98 3.24 3n9mA1 TYR 527 HD2 -0.47 -0.01 -0.10 -0.04 7.15 6.53 3n9mA1 TYR 527 HE2 -0.10 0.07 -0.19 -0.04 6.85 6.59 3n9mA1 GLN 528 H 0.08 0.85 -0.05 -0.55 8.47 8.81 3n9mA1 GLN 528 HA -0.24 -0.02 0.39 -0.75 4.36 3.74 3n9mA1 GLN 528 HB2 -0.01 -0.03 0.06 -0.04 2.15 2.13 3n9mA1 GLN 528 HB3 0.00 0.12 0.12 -0.04 2.02 2.22 3n9mA1 GLN 528 HG2 -0.06 0.01 -0.28 -0.04 2.40 2.03 3n9mA1 GLN 528 HG3 -0.07 -0.03 -0.01 -0.04 2.39 2.23 3n9mA1 GLN 528 HE21 -0.03 -0.03 -0.08 -0.04 6.97 6.79 3n9mA1 GLN 528 HE22 -0.05 0.04 -0.13 -0.04 7.69 7.51 3n9mA1 ALA 529 H 0.01 0.53 -0.17 -0.55 8.40 8.22 3n9mA1 ALA 529 HA -0.03 0.01 0.40 -0.75 4.34 3.96 3n9mA1 ALA 529 HB3 0.03 0.02 0.09 -0.04 1.41 1.51 3n9mA1 HIS 530 H 0.09 0.51 -0.14 -0.55 8.41 8.31 3n9mA1 HIS 530 HA -0.01 -0.04 0.39 -0.75 4.63 4.21 3n9mA1 HIS 530 HB2 0.18 -0.03 0.07 -0.04 3.26 3.44 3n9mA1 HIS 530 HB3 -0.16 0.13 0.15 -0.04 3.20 3.28 3n9mA1 HIS 530 HD2 0.08 -0.05 -0.08 -0.04 6.97 6.88 3n9mA1 HIS 530 HE1 0.11 -0.04 -0.02 -0.04 7.75 7.75 3n9mA1 GLU 531 H -0.29 0.56 -0.11 -0.55 8.60 8.22 3n9mA1 GLU 531 HA -0.26 0.02 0.47 -0.75 4.29 3.77 3n9mA1 GLU 531 HB2 -0.38 0.08 0.15 -0.04 2.09 1.90 3n9mA1 GLU 531 HB3 -0.23 -0.06 -0.00 -0.04 1.99 1.66 3n9mA1 GLU 531 HG2 -1.04 0.06 0.00 -0.04 2.34 1.32 3n9mA1 GLU 531 HG3 -0.89 -0.10 -0.04 -0.04 2.34 1.27 3n9mA1 THR 532 H -0.14 0.46 -0.15 -0.55 8.28 7.89 3n9mA1 THR 532 HA -0.10 0.08 0.54 -0.75 4.39 4.16 3n9mA1 THR 532 HB -0.06 -0.06 0.07 -0.04 4.32 4.22 3n9mA1 THR 532 HG23 -0.09 -0.01 0.01 -0.04 1.22 1.10 3n9mA1 SER 533 H -0.13 0.28 -0.33 -0.55 8.46 7.74 3n9mA1 SER 533 HA -0.06 0.04 0.64 -0.75 4.49 4.36 3n9mA1 SER 533 HB2 -0.04 -0.03 0.09 -0.04 3.95 3.93 3n9mA1 SER 533 HB3 -0.10 0.16 0.16 -0.04 3.93 4.11 3n9mA1 PRO 534 HA -0.05 0.17 0.55 -0.51 4.44 4.60 3n9mA1 PRO 534 HB2 -0.03 -0.06 -0.04 -0.04 2.28 2.11 3n9mA1 PRO 534 HB3 -0.03 0.02 0.11 -0.04 2.02 2.07 3n9mA1 PRO 534 HG2 -0.02 -0.03 0.09 -0.04 2.03 2.03 3n9mA1 PRO 534 HG3 -0.03 0.11 0.09 -0.04 2.03 2.16 3n9mA1 PRO 534 HD2 -0.03 -0.03 0.23 -0.04 3.68 3.81 3n9mA1 PRO 534 HD3 -0.04 0.22 0.30 -0.04 3.65 4.09 3n9mA1 ASP 535 H -0.04 0.05 -0.12 -0.55 8.40 7.74 3n9mA1 ASP 535 HA -0.02 -0.02 0.44 -0.75 4.63 4.27 3n9mA1 ASP 535 HB2 -0.00 0.02 0.09 -0.04 2.71 2.78 3n9mA1 ASP 535 HB3 -0.01 0.10 0.02 -0.04 2.70 2.77 3n9mA1 THR 536 H -0.01 -0.04 0.25 -0.55 8.28 7.92 3n9mA1 THR 536 HA -0.01 0.29 0.84 -0.75 4.39 4.75 3n9mA1 THR 536 HB -0.01 0.17 -0.04 -0.04 4.32 4.40 3n9mA1 THR 536 HG23 -0.12 -0.06 -0.10 -0.04 1.22 0.90 3n9mA1 THR 537 H 0.01 -0.05 0.15 -0.55 8.28 7.84 3n9mA1 THR 537 HA -0.03 0.31 0.82 -0.75 4.39 4.74 3n9mA1 THR 537 HB 0.05 0.07 0.11 -0.04 4.32 4.52 3n9mA1 THR 537 HG23 -0.02 -0.01 -0.26 -0.04 1.22 0.89 3n9mA1 THR 538 H 0.08 0.06 -0.12 -0.55 8.28 7.75 3n9mA1 THR 538 HA 0.21 0.21 0.90 -0.75 4.39 4.95 3n9mA1 THR 538 HB 0.14 0.03 -0.05 -0.04 4.32 4.39 3n9mA1 THR 538 HG23 0.13 0.02 -0.22 -0.04 1.22 1.10 3n9mA1 TRP 539 H 0.44 0.19 0.08 -0.55 7.97 8.13 3n9mA1 TRP 539 HA 0.14 0.16 0.61 -0.75 4.62 4.77 3n9mA1 TRP 539 HB2 0.49 0.13 0.02 -0.04 3.23 3.83 3n9mA1 TRP 539 HB3 0.25 -0.05 0.12 -0.04 3.23 3.51 3n9mA1 TRP 539 HD1 0.02 0.07 -0.02 -0.04 7.22 7.24 3n9mA1 TRP 539 HE1 0.19 0.04 -0.07 -0.04 10.20 10.32 3n9mA1 TRP 539 HE3 0.20 -0.02 -0.09 -0.04 7.59 7.64 3n9mA1 TRP 539 HZ2 -0.05 0.05 -0.10 -0.04 7.44 7.30 3n9mA1 TRP 539 HZ3 0.20 0.10 -0.14 -0.04 7.13 7.25 3n9mA1 TRP 539 HH2 0.25 0.12 -0.11 -0.04 7.19 7.40 3n9mA1 PHE 540 H -0.17 0.25 0.11 -0.55 8.34 7.98 3n9mA1 PHE 540 HA -0.47 0.10 0.14 -0.75 4.62 3.63 3n9mA1 PHE 540 HB2 -1.65 0.12 0.04 -0.04 3.15 1.62 3n9mA1 PHE 540 HB3 -1.12 -0.05 0.04 -0.04 3.06 1.89 3n9mA1 PHE 540 HD2 -1.38 0.02 -0.19 -0.04 7.28 5.68 3n9mA1 PHE 540 HE2 -0.32 -0.00 -0.31 -0.04 7.38 6.71 3n9mA1 PHE 540 HZ -0.17 0.04 -0.06 -0.04 7.32 7.09 3n9mA1 GLY 541 H -1.72 0.07 -0.45 -0.55 8.43 5.78 3n9mA1 GLY 541 HA2 -0.89 0.04 0.35 -0.51 4.01 2.99 3n9mA1 GLY 541 HA3 -1.56 0.10 0.18 -0.51 4.01 2.22 3n9mA1 ASP 542 H -0.05 0.57 -0.21 -0.55 8.40 8.16 3n9mA1 ASP 542 HA 0.10 0.09 0.38 -0.75 4.63 4.45 3n9mA1 ASP 542 HB2 0.21 0.09 0.08 -0.04 2.71 3.05 3n9mA1 ASP 542 HB3 0.14 -0.01 0.05 -0.04 2.70 2.84 3n9mA1 ILE 543 H -0.30 0.34 -0.45 -0.55 8.25 7.29 3n9mA1 ILE 543 HA -0.10 0.19 0.90 -0.75 4.18 4.42 3n9mA1 ILE 543 HB -0.07 -0.01 0.14 -0.04 1.89 1.91 3n9mA1 ILE 543 HG12 -0.11 -0.02 -0.21 -0.04 1.49 1.11 3n9mA1 ILE 543 HG13 -0.28 0.12 -0.18 -0.04 1.21 0.83 3n9mA1 ILE 543 HG23 0.01 -0.01 -0.19 -0.04 0.93 0.69 3n9mA1 ILE 543 HD13 0.09 -0.01 -0.11 -0.04 0.88 0.82 3n9mA1 ALA 544 H -0.40 0.32 -0.31 -0.55 8.40 7.47 3n9mA1 ALA 544 HA -0.45 0.21 0.76 -0.75 4.34 4.11 3n9mA1 ALA 544 HB3 -1.01 0.04 0.09 -0.04 1.41 0.48 3n9mA1 ASN 545 H -0.15 0.17 -0.43 -0.55 8.53 7.57 3n9mA1 ASN 545 HA -0.07 0.06 0.24 -0.75 4.76 4.24 3n9mA1 ASN 545 HB2 -0.07 0.02 -0.13 -0.04 2.88 2.66 3n9mA1 ASN 545 HB3 -0.08 0.06 -0.18 -0.04 2.79 2.55 3n9mA1 ASN 545 HD21 -0.03 -0.01 0.02 -0.04 7.03 6.97 3n9mA1 ASN 545 HD22 -0.04 -0.03 -0.00 -0.04 7.74 7.62 3n9mA1 GLY 546 H -0.10 0.05 -0.46 -0.55 8.43 7.37 3n9mA1 GLY 546 HA2 -0.01 0.05 0.25 -0.51 4.01 3.79 3n9mA1 GLY 546 HA3 -0.01 0.10 0.36 -0.51 4.01 3.95 3n9mA1 ALA 547 H -0.11 0.41 -0.14 -0.55 8.40 8.01 3n9mA1 ALA 547 HA -0.01 0.07 0.45 -0.75 4.34 4.09 3n9mA1 ALA 547 HB3 -0.08 -0.03 0.08 -0.04 1.41 1.34 3n9mA1 VAL 548 H -0.06 -0.03 -0.12 -0.55 8.24 7.48 3n9mA1 VAL 548 HA 0.17 0.33 0.41 -0.75 4.13 4.29 3n9mA1 VAL 548 HB -0.00 -0.04 0.06 -0.04 2.12 2.10 3n9mA1 VAL 548 HG13 0.46 -0.01 -0.29 -0.04 0.97 1.10 3n9mA1 VAL 548 HG23 -0.25 -0.04 -0.14 -0.04 0.95 0.47 3n9mA1 LYS 549 H 0.27 0.61 0.42 -0.55 8.42 9.17 3n9mA1 LYS 549 HA 0.21 0.31 0.80 -0.75 4.32 4.89 3n9mA1 LYS 549 HB2 0.20 -0.12 -0.02 -0.04 1.87 1.90 3n9mA1 LYS 549 HB3 0.15 0.03 -0.12 -0.04 1.79 1.80 3n9mA1 LYS 549 HG2 0.17 0.18 0.01 -0.04 1.46 1.79 3n9mA1 LYS 549 HG3 0.15 -0.23 -0.04 -0.04 1.46 1.29 3n9mA1 LYS 549 HD2 0.11 0.05 -0.31 -0.04 1.69 1.50 3n9mA1 LYS 549 HD3 0.13 0.18 -0.76 -0.04 1.68 1.19 3n9mA1 LYS 549 HE2 0.07 0.07 -0.05 -0.04 2.99 3.03 3n9mA1 LYS 549 HE3 0.07 0.12 -0.07 -0.04 2.99 3.07 3n9mA1 ARG 550 H 0.16 0.67 0.26 -0.55 8.46 9.00 3n9mA1 ARG 550 HA 0.09 0.22 1.01 -0.75 4.34 4.91 3n9mA1 ARG 550 HB2 0.26 0.02 -0.12 -0.04 1.90 2.01 3n9mA1 ARG 550 HB3 0.11 0.02 -0.02 -0.04 1.80 1.87 3n9mA1 ARG 550 HG2 -0.04 -0.10 -0.16 -0.04 1.67 1.33 3n9mA1 ARG 550 HG3 0.02 -0.04 -0.10 -0.04 1.67 1.52 3n9mA1 ARG 550 HD2 0.14 -0.06 -0.19 -0.04 3.22 3.07 3n9mA1 ARG 550 HD3 0.14 0.19 -0.06 -0.04 3.22 3.45 3n9mA1 VAL 551 H -0.04 0.56 0.27 -0.55 8.24 8.48 3n9mA1 VAL 551 HA 0.01 0.10 0.72 -0.75 4.13 4.21 3n9mA1 VAL 551 HB 0.01 0.06 -0.13 -0.04 2.12 2.02 3n9mA1 VAL 551 HG13 0.02 -0.00 -0.08 -0.04 0.97 0.86 3n9mA1 VAL 551 HG23 -0.04 -0.01 -0.21 -0.04 0.95 0.65 3n9mA1 VAL 552 H 0.01 0.16 0.14 -0.55 8.24 8.00 3n9mA1 VAL 552 HA 0.03 0.24 1.00 -0.75 4.13 4.65 3n9mA1 VAL 552 HB 0.02 -0.03 0.09 -0.04 2.12 2.15 3n9mA1 VAL 552 HG13 0.03 -0.00 -0.18 -0.04 0.97 0.78 3n9mA1 VAL 552 HG23 0.01 0.01 -0.09 -0.04 0.95 0.84 3n9mA1 ILE 553 H 0.08 0.80 0.34 -0.55 8.25 8.92 3n9mA1 ILE 553 HA 0.01 0.14 0.96 -0.75 4.18 4.53 3n9mA1 ILE 553 HB 0.11 -0.05 0.06 -0.04 1.89 1.97 3n9mA1 ILE 553 HG12 -0.14 -0.01 -0.23 -0.04 1.49 1.07 3n9mA1 ILE 553 HG13 -0.06 0.09 -0.38 -0.04 1.21 0.82 3n9mA1 ILE 553 HG23 0.02 0.02 -0.26 -0.04 0.93 0.67 3n9mA1 ILE 553 HD13 -0.07 -0.01 -0.26 -0.04 0.88 0.50 3n9mA1 LYS 554 H 0.01 0.13 0.09 -0.55 8.42 8.09 3n9mA1 LYS 554 HA 0.03 0.16 0.79 -0.75 4.32 4.54 3n9mA1 LYS 554 HB2 0.01 0.02 0.08 -0.04 1.87 1.94 3n9mA1 LYS 554 HB3 0.02 -0.03 0.17 -0.04 1.79 1.91 3n9mA1 LYS 554 HG2 0.03 0.01 -0.03 -0.04 1.46 1.43 3n9mA1 LYS 554 HG3 0.02 -0.06 -0.19 -0.04 1.46 1.20 3n9mA1 LYS 554 HD2 0.02 0.01 -0.01 -0.04 1.69 1.66 3n9mA1 LYS 554 HD3 0.02 0.00 0.00 -0.04 1.68 1.67 3n9mA1 LYS 554 HE2 0.02 -0.00 -0.07 -0.04 2.99 2.90 3n9mA1 LYS 554 HE3 0.02 -0.00 -0.02 -0.04 2.99 2.94 3n9mA1 GLU 555 H 0.02 0.06 0.22 -0.55 8.60 8.35 3n9mA1 GLU 555 HA -0.02 0.09 0.33 -0.75 4.29 3.93 3n9mA1 GLU 555 HB2 0.03 -0.01 0.22 -0.04 2.09 2.29 3n9mA1 GLU 555 HB3 0.02 -0.05 0.17 -0.04 1.99 2.08 3n9mA1 GLU 555 HG2 0.03 0.01 -0.09 -0.04 2.34 2.25 3n9mA1 GLU 555 HG3 0.02 0.09 -0.18 -0.04 2.34 2.23 3n9mA1 GLY 556 H -0.12 0.86 0.34 -0.55 8.43 8.96 3n9mA1 GLY 556 HA2 -0.02 -0.05 0.45 -0.51 4.01 3.88 3n9mA1 GLY 556 HA3 0.01 0.02 0.67 -0.51 4.01 4.21 3n9mA1 GLN 557 H -0.07 0.39 -0.46 -0.55 8.47 7.78 3n9mA1 GLN 557 HA -0.01 0.27 0.66 -0.75 4.36 4.52 3n9mA1 GLN 557 HB2 -0.02 0.07 0.07 -0.04 2.15 2.23 3n9mA1 GLN 557 HB3 -0.01 -0.05 0.03 -0.04 2.02 1.95 3n9mA1 GLN 557 HG2 0.00 0.04 0.11 -0.04 2.40 2.51 3n9mA1 GLN 557 HG3 -0.00 0.10 -0.09 -0.04 2.39 2.36 3n9mA1 GLN 557 HE21 0.01 -0.00 0.01 -0.04 6.97 6.95 3n9mA1 GLN 557 HE22 0.01 0.01 0.02 -0.04 7.69 7.69 3n9mA1 THR 558 H 0.00 0.61 0.31 -0.55 8.28 8.65 3n9mA1 THR 558 HA 0.05 0.27 1.11 -0.75 4.39 5.06 3n9mA1 THR 558 HB 0.01 -0.12 0.02 -0.04 4.32 4.19 3n9mA1 THR 558 HG23 0.08 -0.01 -0.21 -0.04 1.22 1.04 3n9mA1 LEU 559 H 0.10 0.74 0.33 -0.55 8.37 9.00 3n9mA1 LEU 559 HA -0.05 0.24 1.11 -0.75 4.35 4.90 3n9mA1 LEU 559 HB2 -0.15 -0.01 -0.09 -0.04 1.64 1.35 3n9mA1 LEU 559 HB3 -0.16 -0.04 0.02 -0.04 1.64 1.42 3n9mA1 LEU 559 HG -0.32 0.00 -0.23 -0.04 1.64 1.06 3n9mA1 LEU 559 HD13 -0.18 0.05 -0.09 -0.04 0.93 0.66 3n9mA1 LEU 559 HD23 -1.07 -0.01 -0.19 -0.04 0.89 -0.42 3n9mA1 LEU 560 H 0.05 0.80 0.30 -0.55 8.37 8.98 3n9mA1 LEU 560 HA 0.26 0.30 1.11 -0.75 4.35 5.27 3n9mA1 LEU 560 HB2 0.11 -0.07 0.19 -0.04 1.64 1.84 3n9mA1 LEU 560 HB3 0.26 0.01 0.02 -0.04 1.64 1.89 3n9mA1 LEU 560 HG -0.12 -0.06 -0.38 -0.04 1.64 1.04 3n9mA1 LEU 560 HD13 -1.07 -0.02 -0.12 -0.04 0.93 -0.32 3n9mA1 LEU 560 HD23 0.07 0.02 -0.01 -0.04 0.89 0.93 3n9mA1 ILE 561 H 0.24 0.75 0.27 -0.55 8.25 8.96 3n9mA1 ILE 561 HA -0.12 0.19 0.96 -0.75 4.18 4.46 3n9mA1 ILE 561 HB -0.10 -0.07 0.11 -0.04 1.89 1.80 3n9mA1 ILE 561 HG12 -0.31 0.03 -0.23 -0.04 1.49 0.93 3n9mA1 ILE 561 HG13 -0.17 -0.10 -0.42 -0.04 1.21 0.48 3n9mA1 ILE 561 HG23 -0.22 0.08 -0.13 -0.04 0.93 0.62 3n9mA1 ILE 561 HD13 -0.44 0.00 -0.19 -0.04 0.88 0.22 3n9mA1 PRO 562 HA -1.28 0.01 0.40 -0.51 4.44 3.06 3n9mA1 PRO 562 HB2 -0.30 0.14 -0.12 -0.04 2.28 1.96 3n9mA1 PRO 562 HB3 -1.56 0.04 -0.13 -0.04 2.02 0.32 3n9mA1 PRO 562 HG2 -0.18 0.13 -0.64 -0.04 2.03 1.31 3n9mA1 PRO 562 HG3 -0.87 0.16 -0.30 -0.04 2.03 0.98 3n9mA1 PRO 562 HD2 -0.71 0.08 -0.06 -0.04 3.68 2.95 3n9mA1 PRO 562 HD3 -0.20 0.20 0.14 -0.04 3.65 3.74 3n9mA1 ALA 563 H -0.20 0.11 0.10 -0.55 8.40 7.86 3n9mA1 ALA 563 HA -0.04 0.16 0.10 -0.75 4.34 3.80 3n9mA1 ALA 563 HB3 -0.07 -0.02 0.10 -0.04 1.41 1.37 3n9mA1 GLY 564 H 0.07 0.20 0.05 -0.55 8.43 8.19 3n9mA1 GLY 564 HA2 0.10 -0.05 0.27 -0.51 4.01 3.82 3n9mA1 GLY 564 HA3 0.15 0.12 0.31 -0.51 4.01 4.08 3n9mA1 TRP 565 H 0.42 0.23 -0.35 -0.55 7.97 7.72 3n9mA1 TRP 565 HA 0.03 0.08 0.36 -0.75 4.62 4.34 3n9mA1 TRP 565 HB2 0.01 0.02 -0.02 -0.04 3.23 3.19 3n9mA1 TRP 565 HB3 0.07 -0.01 -0.16 -0.04 3.23 3.09 3n9mA1 TRP 565 HD1 -0.10 0.08 -0.39 -0.04 7.22 6.76 3n9mA1 TRP 565 HE1 -0.08 0.33 0.01 -0.04 10.20 10.41 3n9mA1 TRP 565 HE3 0.06 -0.02 -0.25 -0.04 7.59 7.34 3n9mA1 TRP 565 HZ2 -0.01 0.15 0.19 -0.04 7.44 7.73 3n9mA1 TRP 565 HZ3 0.04 -0.02 -0.18 -0.04 7.13 6.92 3n9mA1 TRP 565 HH2 0.01 -0.11 0.07 -0.04 7.19 7.12 3n9mA1 ILE 566 H 0.04 0.42 0.26 -0.55 8.25 8.42 3n9mA1 ILE 566 HA -0.20 0.19 0.63 -0.75 4.18 4.05 3n9mA1 ILE 566 HB 0.00 -0.07 0.12 -0.04 1.89 1.90 3n9mA1 ILE 566 HG12 -0.38 -0.03 -0.08 -0.04 1.49 0.96 3n9mA1 ILE 566 HG13 -0.03 0.12 0.05 -0.04 1.21 1.30 3n9mA1 ILE 566 HG23 -0.43 -0.02 -0.21 -0.04 0.93 0.23 3n9mA1 ILE 566 HD13 -0.02 -0.03 -0.16 -0.04 0.88 0.63 3n9mA1 HIS 567 H -0.45 0.51 0.33 -0.55 8.41 8.25 3n9mA1 HIS 567 HA 0.25 0.43 1.04 -0.75 4.63 5.60 3n9mA1 HIS 567 HB2 0.15 -0.00 -0.14 -0.04 3.26 3.23 3n9mA1 HIS 567 HB3 0.20 -0.02 -0.41 -0.04 3.20 2.93 3n9mA1 HIS 567 HD2 -0.17 -0.02 -0.33 -0.04 6.97 6.41 3n9mA1 HIS 567 HE1 -0.06 -0.12 -0.06 -0.04 7.75 7.47 3n9mA1 ALA 568 H -0.01 0.61 0.37 -0.55 8.40 8.82 3n9mA1 ALA 568 HA -0.27 0.27 0.62 -0.75 4.34 4.20 3n9mA1 ALA 568 HB3 -0.90 -0.02 0.04 -0.04 1.41 0.49 3n9mA1 VAL 569 H -0.37 0.62 0.24 -0.55 8.24 8.18 3n9mA1 VAL 569 HA -0.29 0.31 1.14 -0.75 4.13 4.53 3n9mA1 VAL 569 HB -0.24 -0.07 -0.02 -0.04 2.12 1.75 3n9mA1 VAL 569 HG13 -0.27 -0.01 -0.32 -0.04 0.97 0.33 3n9mA1 VAL 569 HG23 -0.87 0.01 -0.35 -0.04 0.95 -0.31 3n9mA1 LEU 570 H 0.13 0.81 0.35 -0.55 8.37 9.11 3n9mA1 LEU 570 HA 0.27 0.25 1.02 -0.75 4.35 5.13 3n9mA1 LEU 570 HB2 0.75 -0.01 -0.02 -0.04 1.64 2.32 3n9mA1 LEU 570 HB3 0.39 -0.04 0.14 -0.04 1.64 2.09 3n9mA1 LEU 570 HG 0.22 -0.04 -0.30 -0.04 1.64 1.48 3n9mA1 LEU 570 HD13 0.43 0.06 -0.09 -0.04 0.93 1.29 3n9mA1 LEU 570 HD23 0.21 -0.01 -0.11 -0.04 0.89 0.93 3n9mA1 THR 571 H 0.15 0.77 0.12 -0.55 8.28 8.77 3n9mA1 THR 571 HA 0.10 0.28 1.03 -0.75 4.39 5.05 3n9mA1 THR 571 HB 0.08 -0.05 0.11 -0.04 4.32 4.42 3n9mA1 THR 571 HG23 0.08 -0.03 -0.27 -0.04 1.22 0.96 3n9mA1 PRO 572 HA 0.06 0.04 0.42 -0.51 4.44 4.45 3n9mA1 PRO 572 HB2 0.05 0.01 -0.09 -0.04 2.28 2.20 3n9mA1 PRO 572 HB3 0.05 0.03 0.02 -0.04 2.02 2.08 3n9mA1 PRO 572 HG2 0.07 0.00 -0.15 -0.04 2.03 1.91 3n9mA1 PRO 572 HG3 0.09 0.03 -0.12 -0.04 2.03 1.98 3n9mA1 PRO 572 HD2 0.08 0.45 0.14 -0.04 3.68 4.31 3n9mA1 PRO 572 HD3 0.11 0.42 0.13 -0.04 3.65 4.27 3n9mA1 VAL 573 H 0.06 0.33 -0.13 -0.55 8.24 7.96 3n9mA1 VAL 573 HA 0.02 0.14 0.92 -0.75 4.13 4.47 3n9mA1 VAL 573 HB 0.05 -0.09 0.05 -0.04 2.12 2.09 3n9mA1 VAL 573 HG13 0.04 0.07 -0.09 -0.04 0.97 0.95 3n9mA1 VAL 573 HG23 0.03 0.00 -0.14 -0.04 0.95 0.79 3n9mA1 ASP 574 H -0.00 0.10 0.17 -0.55 8.40 8.12 3n9mA1 ASP 574 HA 0.07 0.14 0.53 -0.75 4.63 4.61 3n9mA1 ASP 574 HB2 -0.00 -0.05 0.15 -0.04 2.71 2.77 3n9mA1 ASP 574 HB3 0.09 0.03 0.05 -0.04 2.70 2.83 3n9mA1 SER 575 H 0.25 0.62 0.43 -0.55 8.46 9.21 3n9mA1 SER 575 HA 0.12 0.26 1.04 -0.75 4.49 5.15 3n9mA1 SER 575 HB2 0.09 -0.10 0.00 -0.04 3.95 3.90 3n9mA1 SER 575 HB3 0.07 -0.01 -0.05 -0.04 3.93 3.90 3n9mA1 LEU 576 H 0.06 0.60 0.34 -0.55 8.37 8.83 3n9mA1 LEU 576 HA -0.06 0.22 0.86 -0.75 4.35 4.61 3n9mA1 LEU 576 HB2 0.02 -0.04 -0.03 -0.04 1.64 1.55 3n9mA1 LEU 576 HB3 0.10 -0.03 0.09 -0.04 1.64 1.75 3n9mA1 LEU 576 HG 0.10 0.03 -0.26 -0.04 1.64 1.47 3n9mA1 LEU 576 HD13 -0.09 0.02 -0.07 -0.04 0.93 0.74 3n9mA1 LEU 576 HD23 0.24 -0.01 -0.22 -0.04 0.89 0.86 3n9mA1 VAL 577 H -0.13 0.70 0.35 -0.55 8.24 8.60 3n9mA1 VAL 577 HA -0.04 0.09 1.17 -0.75 4.13 4.60 3n9mA1 VAL 577 HB -0.14 0.01 -0.02 -0.04 2.12 1.93 3n9mA1 VAL 577 HG13 -0.87 0.03 -0.29 -0.04 0.97 -0.20 3n9mA1 VAL 577 HG23 -0.04 -0.03 -0.32 -0.04 0.95 0.51 3n9mA1 PHE 578 H 0.10 0.64 0.38 -0.55 8.34 8.91 3n9mA1 PHE 578 HA 0.01 0.31 1.07 -0.75 4.62 5.26 3n9mA1 PHE 578 HB2 0.04 -0.03 0.12 -0.04 3.15 3.23 3n9mA1 PHE 578 HB3 0.05 0.06 -0.01 -0.04 3.06 3.12 3n9mA1 PHE 578 HD2 0.18 0.02 -0.14 -0.04 7.28 7.30 3n9mA1 PHE 578 HE2 -0.37 -0.04 -0.14 -0.04 7.38 6.80 3n9mA1 PHE 578 HZ -0.13 -0.07 -0.10 -0.04 7.32 6.98 3n9mA1 GLY 579 H -0.43 0.63 0.33 -0.55 8.43 8.42 3n9mA1 GLY 579 HA2 -0.77 0.06 0.57 -0.51 4.01 3.36 3n9mA1 GLY 579 HA3 -0.79 0.04 0.41 -0.51 4.01 3.17 3n9mA1 GLY 580 H -1.12 0.54 0.37 -0.55 8.43 7.68 3n9mA1 GLY 580 HA2 -0.44 -0.00 0.31 -0.51 4.01 3.37 3n9mA1 GLY 580 HA3 -0.36 0.33 0.37 -0.51 4.01 3.84 3n9mA1 ASN 581 H 0.23 0.69 0.35 -0.55 8.53 9.26 3n9mA1 ASN 581 HA 0.22 0.46 1.07 -0.75 4.76 5.76 3n9mA1 ASN 581 HB2 0.28 -0.01 0.06 -0.04 2.88 3.17 3n9mA1 ASN 581 HB3 0.10 -0.03 -0.07 -0.04 2.79 2.74 3n9mA1 ASN 581 HD21 -0.08 -0.04 -0.16 -0.04 7.03 6.70 3n9mA1 ASN 581 HD22 -0.17 0.06 -0.21 -0.04 7.74 7.39 3n9mA1 PHE 582 H -0.04 0.63 0.23 -0.55 8.34 8.62 3n9mA1 PHE 582 HA 0.27 0.06 0.73 -0.75 4.62 4.93 3n9mA1 PHE 582 HB2 0.17 -0.04 0.06 -0.04 3.15 3.30 3n9mA1 PHE 582 HB3 0.17 0.08 -0.21 -0.04 3.06 3.05 3n9mA1 PHE 582 HD2 0.19 0.03 -0.37 -0.04 7.28 7.09 3n9mA1 PHE 582 HE2 0.15 -0.02 -0.34 -0.04 7.38 7.13 3n9mA1 PHE 582 HZ 0.50 0.02 -0.22 -0.04 7.32 7.57 3n9mA1 LEU 583 H 0.28 0.07 0.20 -0.55 8.37 8.37 3n9mA1 LEU 583 HA 0.02 0.22 0.89 -0.75 4.35 4.73 3n9mA1 LEU 583 HB2 -0.06 -0.10 0.08 -0.04 1.64 1.52 3n9mA1 LEU 583 HB3 -0.13 0.06 0.05 -0.04 1.64 1.58 3n9mA1 LEU 583 HG -0.17 -0.08 -0.10 -0.04 1.64 1.25 3n9mA1 LEU 583 HD13 -0.76 0.01 -0.05 -0.04 0.93 0.09 3n9mA1 LEU 583 HD23 -0.15 0.03 -0.15 -0.04 0.89 0.58 3n9mA1 HIS 584 H -0.11 0.32 0.15 -0.55 8.41 8.22 3n9mA1 HIS 584 HA 0.06 0.20 0.63 -0.75 4.63 4.77 3n9mA1 HIS 584 HB2 0.24 -0.04 0.07 -0.04 3.26 3.50 3n9mA1 HIS 584 HB3 0.36 0.17 -0.28 -0.04 3.20 3.40 3n9mA1 HIS 584 HD2 -0.02 0.05 -0.21 -0.04 6.97 6.74 3n9mA1 HIS 584 HE1 0.49 0.19 -0.08 -0.04 7.75 8.31 3n9mA1 LEU 585 H 0.12 0.30 0.15 -0.55 8.37 8.39 3n9mA1 LEU 585 HA -0.07 0.06 0.35 -0.75 4.35 3.94 3n9mA1 LEU 585 HB2 0.09 0.04 0.15 -0.04 1.64 1.89 3n9mA1 LEU 585 HB3 0.07 0.05 -0.04 -0.04 1.64 1.68 3n9mA1 LEU 585 HG -0.01 -0.01 0.08 -0.04 1.64 1.66 3n9mA1 LEU 585 HD13 -0.29 0.01 -0.01 -0.04 0.93 0.60 3n9mA1 LEU 585 HD23 0.17 0.02 -0.01 -0.04 0.89 1.03 3n9mA1 GLY 586 H 0.30 0.08 -0.29 -0.55 8.43 7.97 3n9mA1 GLY 586 HA2 0.13 0.10 0.54 -0.51 4.01 4.26 3n9mA1 GLY 586 HA3 0.32 0.20 0.17 -0.51 4.01 4.19 3n9mA1 ASN 587 H -0.32 0.31 -0.34 -0.55 8.53 7.63 3n9mA1 ASN 587 HA -0.05 0.24 0.91 -0.75 4.76 5.11 3n9mA1 ASN 587 HB2 -0.75 -0.00 0.13 -0.04 2.88 2.21 3n9mA1 ASN 587 HB3 -0.19 -0.06 0.26 -0.04 2.79 2.77 3n9mA1 ASN 587 HD21 0.24 0.37 0.02 -0.04 7.03 7.61 3n9mA1 ASN 587 HD22 0.11 0.24 -0.64 -0.04 7.74 7.41 3n9mA1 LEU 588 H -0.07 0.44 -0.21 -0.55 8.37 7.99 3n9mA1 LEU 588 HA -0.08 0.06 0.40 -0.75 4.35 3.97 3n9mA1 LEU 588 HB2 -0.07 0.06 0.21 -0.04 1.64 1.79 3n9mA1 LEU 588 HB3 -0.06 -0.00 0.16 -0.04 1.64 1.69 3n9mA1 LEU 588 HG -0.09 -0.02 -0.17 -0.04 1.64 1.32 3n9mA1 LEU 588 HD13 -0.06 -0.01 0.02 -0.04 0.93 0.84 3n9mA1 LEU 588 HD23 -0.09 -0.02 0.08 -0.04 0.89 0.81 3n9mA1 GLU 589 H -0.04 0.20 -0.09 -0.55 8.60 8.12 3n9mA1 GLU 589 HA -0.04 0.05 0.35 -0.75 4.29 3.90 3n9mA1 GLU 589 HB2 -0.01 0.03 0.09 -0.04 2.09 2.16 3n9mA1 GLU 589 HB3 -0.01 0.04 -0.05 -0.04 1.99 1.93 3n9mA1 GLU 589 HG2 -0.03 -0.01 0.03 -0.04 2.34 2.29 3n9mA1 GLU 589 HG3 -0.03 0.00 0.05 -0.04 2.34 2.33 3n9mA1 MET 590 H -0.02 0.14 -0.23 -0.55 8.47 7.81 3n9mA1 MET 590 HA 0.03 0.03 0.40 -0.75 4.52 4.22 3n9mA1 MET 590 HB2 -0.00 0.02 0.11 -0.04 2.15 2.24 3n9mA1 MET 590 HB3 -0.03 0.08 0.11 -0.04 2.03 2.15 3n9mA1 MET 590 HG2 0.02 0.32 -0.07 -0.04 2.63 2.86 3n9mA1 MET 590 HG3 0.04 -0.10 -0.30 -0.04 2.56 2.16 3n9mA1 MET 590 HE3 -0.07 0.04 0.06 -0.04 2.10 2.09 3n9mA1 GLN 591 H -0.04 0.55 -0.20 -0.55 8.47 8.23 3n9mA1 GLN 591 HA -0.00 0.04 0.48 -0.75 4.36 4.12 3n9mA1 GLN 591 HB2 -0.01 0.06 0.24 -0.04 2.15 2.39 3n9mA1 GLN 591 HB3 0.12 -0.04 0.05 -0.04 2.02 2.11 3n9mA1 GLN 591 HG2 -0.03 0.15 0.01 -0.04 2.40 2.49 3n9mA1 GLN 591 HG3 -0.09 0.03 0.14 -0.04 2.39 2.43 3n9mA1 GLN 591 HE21 -0.11 -0.13 -0.11 -0.04 6.97 6.57 3n9mA1 GLN 591 HE22 -0.01 0.06 -0.01 -0.04 7.69 7.70 3n9mA1 MET 592 H -0.03 0.61 -0.05 -0.55 8.47 8.45 3n9mA1 MET 592 HA 0.00 -0.00 0.47 -0.75 4.52 4.24 3n9mA1 MET 592 HB2 -0.08 0.11 0.13 -0.04 2.15 2.27 3n9mA1 MET 592 HB3 -0.14 -0.05 0.03 -0.04 2.03 1.83 3n9mA1 MET 592 HG2 -0.08 0.17 0.02 -0.04 2.63 2.70 3n9mA1 MET 592 HG3 -0.13 -0.03 -0.03 -0.04 2.56 2.32 3n9mA1 MET 592 HE3 -0.53 -0.01 -0.03 -0.04 2.10 1.50 3n9mA1 ARG 593 H -0.06 0.51 -0.22 -0.55 8.46 8.14 3n9mA1 ARG 593 HA -0.04 0.01 0.47 -0.75 4.34 4.02 3n9mA1 ARG 593 HB2 0.09 0.13 0.19 -0.04 1.90 2.27 3n9mA1 ARG 593 HB3 0.20 -0.05 -0.02 -0.04 1.80 1.89 3n9mA1 ARG 593 HG2 0.13 -0.05 0.01 -0.04 1.67 1.72 3n9mA1 ARG 593 HG3 0.05 0.08 0.02 -0.04 1.67 1.77 3n9mA1 ARG 593 HD2 0.05 -0.04 -0.05 -0.04 3.22 3.13 3n9mA1 ARG 593 HD3 0.05 -0.01 -0.14 -0.04 3.22 3.08 3n9mA1 VAL 594 H -0.05 0.68 -0.07 -0.55 8.24 8.25 3n9mA1 VAL 594 HA -0.33 0.02 0.43 -0.75 4.13 3.50 3n9mA1 VAL 594 HB -0.06 0.16 0.02 -0.04 2.12 2.20 3n9mA1 VAL 594 HG13 -0.09 -0.03 -0.13 -0.04 0.97 0.67 3n9mA1 VAL 594 HG23 -0.08 0.04 0.04 -0.04 0.95 0.91 3n9mA1 TYR 595 H -0.05 0.54 -0.31 -0.55 8.29 7.92 3n9mA1 TYR 595 HA -0.28 -0.08 0.40 -0.75 4.56 3.85 3n9mA1 TYR 595 HB2 -0.38 0.11 0.09 -0.04 3.06 2.85 3n9mA1 TYR 595 HB3 -0.21 0.17 0.10 -0.04 2.98 2.99 3n9mA1 TYR 595 HD2 -0.19 -0.01 -0.01 -0.04 7.15 6.90 3n9mA1 TYR 595 HE2 -0.23 -0.01 -0.03 -0.04 6.85 6.54 3n9mA1 HIS 596 H -0.24 0.48 -0.26 -0.55 8.41 7.84 3n9mA1 HIS 596 HA -0.15 0.02 0.52 -0.75 4.63 4.26 3n9mA1 HIS 596 HB2 -0.03 0.17 0.19 -0.04 3.26 3.55 3n9mA1 HIS 596 HB3 -0.04 -0.05 0.01 -0.04 3.20 3.08 3n9mA1 HIS 596 HD2 0.03 -0.06 -0.06 -0.04 6.97 6.84 3n9mA1 HIS 596 HE1 0.02 -0.06 -0.08 -0.04 7.75 7.58 3n9mA1 LEU 597 H -0.06 0.56 -0.06 -0.55 8.37 8.26 3n9mA1 LEU 597 HA -0.07 -0.00 0.38 -0.75 4.35 3.90 3n9mA1 LEU 597 HB2 -0.28 -0.01 0.10 -0.04 1.64 1.40 3n9mA1 LEU 597 HB3 -0.28 0.14 0.23 -0.04 1.64 1.68 3n9mA1 LEU 597 HG -0.09 0.01 -0.23 -0.04 1.64 1.28 3n9mA1 LEU 597 HD13 -0.03 -0.02 -0.02 -0.04 0.93 0.82 3n9mA1 LEU 597 HD23 -0.62 -0.01 -0.03 -0.04 0.89 0.19 3n9mA1 GLU 598 H -0.14 0.76 -0.07 -0.55 8.60 8.60 3n9mA1 GLU 598 HA -0.05 0.02 0.39 -0.75 4.29 3.90 3n9mA1 GLU 598 HB2 -0.25 0.07 0.14 -0.04 2.09 2.01 3n9mA1 GLU 598 HB3 -0.32 -0.05 -0.02 -0.04 1.99 1.55 3n9mA1 GLU 598 HG2 0.16 0.02 0.01 -0.04 2.34 2.48 3n9mA1 GLU 598 HG3 -0.04 0.26 0.01 -0.04 2.34 2.53 3n9mA1 ASN 599 H -0.33 0.59 -0.15 -0.55 8.53 8.09 3n9mA1 ASN 599 HA -0.34 -0.03 0.40 -0.75 4.76 4.03 3n9mA1 ASN 599 HB2 -0.28 0.13 0.20 -0.04 2.88 2.89 3n9mA1 ASN 599 HB3 -0.25 -0.04 0.03 -0.04 2.79 2.49 3n9mA1 ASN 599 HD21 -2.24 -0.14 -0.03 -0.04 7.03 4.58 3n9mA1 ASN 599 HD22 -0.63 -0.00 -0.07 -0.04 7.74 7.00 3n9mA1 ALA 600 H -0.13 0.58 -0.21 -0.55 8.40 8.09 3n9mA1 ALA 600 HA -0.09 0.03 0.54 -0.75 4.34 4.06 3n9mA1 ALA 600 HB3 -0.06 0.02 0.07 -0.04 1.41 1.40 3n9mA1 ILE 601 H -0.10 0.60 -0.00 -0.55 8.25 8.20 3n9mA1 ILE 601 HA -0.07 0.03 0.43 -0.75 4.18 3.81 3n9mA1 ILE 601 HB -0.04 0.07 0.20 -0.04 1.89 2.08 3n9mA1 ILE 601 HG12 -0.12 0.01 0.06 -0.04 1.49 1.40 3n9mA1 ILE 601 HG13 -0.08 0.10 0.10 -0.04 1.21 1.29 3n9mA1 ILE 601 HG23 -0.04 -0.01 -0.13 -0.04 0.93 0.71 3n9mA1 ILE 601 HD13 -0.07 -0.04 -0.08 -0.04 0.88 0.65 3n9mA1 ARG 602 H -0.13 0.55 -0.20 -0.55 8.46 8.12 3n9mA1 ARG 602 HA -0.04 0.02 0.40 -0.75 4.34 3.97 3n9mA1 ARG 602 HB2 -0.29 0.09 0.11 -0.04 1.90 1.76 3n9mA1 ARG 602 HB3 -0.19 0.09 0.05 -0.04 1.80 1.70 3n9mA1 ARG 602 HG2 -0.07 0.01 0.10 -0.04 1.67 1.67 3n9mA1 ARG 602 HG3 -0.01 -0.10 0.10 -0.04 1.67 1.61 3n9mA1 ARG 602 HD2 -0.20 0.04 -0.01 -0.04 3.22 3.00 3n9mA1 ARG 602 HD3 -0.10 -0.06 0.01 -0.04 3.22 3.04 3n9mA1 LYS 603 H -0.09 0.32 -0.44 -0.55 8.42 7.65 3n9mA1 LYS 603 HA -0.06 0.05 0.56 -0.75 4.32 4.11 3n9mA1 LYS 603 HB2 -0.07 0.15 0.15 -0.04 1.87 2.05 3n9mA1 LYS 603 HB3 -0.05 -0.07 0.04 -0.04 1.79 1.67 3n9mA1 LYS 603 HG2 -0.06 -0.06 0.03 -0.04 1.46 1.33 3n9mA1 LYS 603 HG3 -0.09 0.08 0.03 -0.04 1.46 1.44 3n9mA1 LYS 603 HD2 -0.07 0.02 0.01 -0.04 1.69 1.61 3n9mA1 LYS 603 HD3 -0.05 -0.05 0.01 -0.04 1.68 1.55 3n9mA1 LYS 603 HE2 -0.06 -0.03 -0.01 -0.04 2.99 2.86 3n9mA1 LYS 603 HE3 -0.09 0.01 -0.02 -0.04 2.99 2.85 3n9mA1 GLU 604 H -0.06 0.33 -0.22 -0.55 8.60 8.10 3n9mA1 GLU 604 HA -0.04 0.07 0.55 -0.75 4.29 4.11 3n9mA1 GLU 604 HB2 -0.05 0.08 0.13 -0.04 2.09 2.20 3n9mA1 GLU 604 HB3 -0.05 0.04 0.01 -0.04 1.99 1.94 3n9mA1 GLU 604 HG2 -0.04 -0.04 -0.00 -0.04 2.34 2.22 3n9mA1 GLU 604 HG3 -0.04 -0.01 0.07 -0.04 2.34 2.32 3n9mA1 ILE 605 H -0.05 0.41 0.06 -0.55 8.25 8.12 3n9mA1 ILE 605 HA -0.04 0.13 0.75 -0.75 4.18 4.27 3n9mA1 ILE 605 HB -0.05 -0.04 -0.08 -0.04 1.89 1.69 3n9mA1 ILE 605 HG12 -0.07 0.15 -0.04 -0.04 1.49 1.49 3n9mA1 ILE 605 HG13 -0.06 0.03 0.09 -0.04 1.21 1.23 3n9mA1 ILE 605 HG23 -0.05 0.02 -0.05 -0.04 0.93 0.80 3n9mA1 ILE 605 HD13 -0.04 -0.06 -0.08 -0.04 0.88 0.66 3n9mA1 ARG 606 H -0.04 0.15 0.03 -0.55 8.46 8.05 3n9mA1 ARG 606 HA -0.04 0.12 0.47 -0.75 4.34 4.14 3n9mA1 ARG 606 HB2 -0.04 -0.01 0.19 -0.04 1.90 2.00 3n9mA1 ARG 606 HB3 -0.04 -0.01 0.04 -0.04 1.80 1.75 3n9mA1 ARG 606 HG2 -0.03 0.02 -0.01 -0.04 1.67 1.61 3n9mA1 ARG 606 HG3 -0.03 0.04 -0.02 -0.04 1.67 1.61 3n9mA1 ARG 606 HD2 -0.03 -0.01 0.03 -0.04 3.22 3.17 3n9mA1 ARG 606 HD3 -0.03 -0.02 0.01 -0.04 3.22 3.13 3n9mA1 SER 607 H -0.02 0.38 0.31 -0.55 8.46 8.59 3n9mA1 SER 607 HA -0.05 0.13 0.56 -0.75 4.49 4.38 3n9mA1 SER 607 HB2 0.00 -0.25 0.14 -0.04 3.95 3.80 3n9mA1 SER 607 HB3 0.01 0.13 0.10 -0.04 3.93 4.13 3n9mA1 GLU 608 H 0.03 0.16 0.11 -0.55 8.60 8.36 3n9mA1 GLU 608 HA -0.01 0.03 0.35 -0.75 4.29 3.91 3n9mA1 GLU 608 HB2 -0.14 0.31 -0.05 -0.04 2.09 2.18 3n9mA1 GLU 608 HB3 -0.13 -0.03 0.05 -0.04 1.99 1.83 3n9mA1 GLU 608 HG2 -0.04 -0.07 -0.24 -0.04 2.34 1.95 3n9mA1 GLU 608 HG3 -0.06 0.04 -0.14 -0.04 2.34 2.14 3n9mA1 GLU 609 H -0.16 0.38 -0.95 -0.55 8.60 7.32 3n9mA1 GLU 609 HA -0.46 0.13 0.81 -0.75 4.29 4.02 3n9mA1 GLU 609 HB2 -0.10 -0.07 0.09 -0.04 2.09 1.96 3n9mA1 GLU 609 HB3 -0.38 0.03 0.09 -0.04 1.99 1.69 3n9mA1 GLU 609 HG2 -0.13 0.15 0.09 -0.04 2.34 2.41 3n9mA1 GLU 609 HG3 -0.10 -0.05 -0.14 -0.04 2.34 2.00 3n9mA1 LYS 610 H -0.08 -0.05 -0.13 -0.55 8.42 7.60 3n9mA1 LYS 610 HA -0.12 0.03 0.44 -0.75 4.32 3.92 3n9mA1 LYS 610 HB2 -0.07 -0.12 0.08 -0.04 1.87 1.72 3n9mA1 LYS 610 HB3 -0.53 0.06 -0.13 -0.04 1.79 1.15 3n9mA1 LYS 610 HG2 -0.12 0.03 0.01 -0.04 1.46 1.35 3n9mA1 LYS 610 HG3 -0.09 -0.00 0.02 -0.04 1.46 1.34 3n9mA1 LYS 610 HD2 -0.03 0.01 0.01 -0.04 1.69 1.64 3n9mA1 LYS 610 HD3 0.06 -0.02 -0.01 -0.04 1.68 1.66 3n9mA1 LYS 610 HE2 -0.04 0.01 -0.01 -0.04 2.99 2.91 3n9mA1 LYS 610 HE3 -0.04 0.11 -0.02 -0.04 2.99 3.00 3n9mA1 PHE 611 H -0.09 0.09 0.13 -0.55 8.34 7.91 3n9mA1 PHE 611 HA -0.20 0.17 0.67 -0.75 4.62 4.50 3n9mA1 PHE 611 HB2 -0.19 0.09 0.02 -0.04 3.15 3.03 3n9mA1 PHE 611 HB3 -0.27 -0.05 0.07 -0.04 3.06 2.77 3n9mA1 PHE 611 HD2 -0.56 0.02 -0.12 -0.04 7.28 6.57 3n9mA1 PHE 611 HE2 -1.33 0.01 -0.28 -0.04 7.38 5.73 3n9mA1 PHE 611 HZ -0.49 0.00 -0.33 -0.04 7.32 6.47 3n9mA1 TYR 612 H -0.69 0.24 0.11 -0.55 8.29 7.41 3n9mA1 TYR 612 HA -0.19 0.11 0.82 -0.75 4.56 4.55 3n9mA1 TYR 612 HB2 -0.19 0.03 -0.04 -0.04 3.06 2.82 3n9mA1 TYR 612 HB3 -0.09 -0.07 0.04 -0.04 2.98 2.82 3n9mA1 TYR 612 HD2 -0.05 -0.04 -0.06 -0.04 7.15 6.96 3n9mA1 TYR 612 HE2 -0.04 -0.02 -0.06 -0.04 6.85 6.69 3n9mA1 PHE 613 H 0.27 0.00 0.03 -0.55 8.34 8.09 3n9mA1 PHE 613 HA -0.01 0.11 0.20 -0.75 4.62 4.17 3n9mA1 PHE 613 HB2 0.30 -0.09 -0.23 -0.04 3.15 3.09 3n9mA1 PHE 613 HB3 0.24 -0.07 0.02 -0.04 3.06 3.21 3n9mA1 PHE 613 HD2 0.36 0.09 -0.35 -0.04 7.28 7.34 3n9mA1 PHE 613 HE2 0.18 0.02 -0.17 -0.04 7.38 7.37 3n9mA1 PHE 613 HZ 0.16 -0.09 -0.08 -0.04 7.32 7.28 3n9mA1 PRO 614 HA -0.02 0.01 0.42 -0.51 4.44 4.34 3n9mA1 PRO 614 HB2 -0.08 0.00 0.03 -0.04 2.28 2.19 3n9mA1 PRO 614 HB3 -0.03 0.24 0.16 -0.04 2.02 2.35 3n9mA1 PRO 614 HG2 -0.04 0.12 -0.19 -0.04 2.03 1.88 3n9mA1 PRO 614 HG3 0.01 0.09 -0.11 -0.04 2.03 1.98 3n9mA1 PRO 614 HD2 -0.68 0.04 0.07 -0.04 3.68 3.06 3n9mA1 PRO 614 HD3 -0.53 0.13 0.06 -0.04 3.65 3.27 3n9mA1 ASN 615 H 0.08 0.15 0.16 -0.55 8.53 8.38 3n9mA1 ASN 615 HA 0.13 -0.04 0.34 -0.75 4.76 4.43 3n9mA1 ASN 615 HB2 0.10 0.20 -0.28 -0.04 2.88 2.86 3n9mA1 ASN 615 HB3 0.18 -0.14 0.19 -0.04 2.79 2.98 3n9mA1 ASN 615 HD21 0.07 -0.01 0.02 -0.04 7.03 7.07 3n9mA1 ASN 615 HD22 0.07 0.56 0.08 -0.04 7.74 8.41 3n9mA1 PHE 616 H 0.31 0.25 -0.27 -0.55 8.34 8.08 3n9mA1 PHE 616 HA 0.14 0.10 0.21 -0.75 4.62 4.32 3n9mA1 PHE 616 HB2 0.11 0.21 0.02 -0.04 3.15 3.44 3n9mA1 PHE 616 HB3 -0.17 -0.08 0.06 -0.04 3.06 2.83 3n9mA1 PHE 616 HD2 -0.76 -0.01 -0.11 -0.04 7.28 6.36 3n9mA1 PHE 616 HE2 -0.49 0.08 -0.02 -0.04 7.38 6.91 3n9mA1 PHE 616 HZ -0.23 0.04 -0.14 -0.04 7.32 6.95 3n9mA1 GLU 617 H 0.05 0.07 -0.15 -0.55 8.60 8.02 3n9mA1 GLU 617 HA -0.23 0.12 0.46 -0.75 4.29 3.89 3n9mA1 GLU 617 HB2 -0.12 -0.02 0.07 -0.04 2.09 1.98 3n9mA1 GLU 617 HB3 -0.01 0.04 -0.05 -0.04 1.99 1.93 3n9mA1 GLU 617 HG2 -3.45 0.03 -0.02 -0.04 2.34 -1.14 3n9mA1 GLU 617 HG3 -0.82 -0.03 -0.05 -0.04 2.34 1.40 3n9mA1 LEU 618 H 0.19 0.08 -0.14 -0.55 8.37 7.95 3n9mA1 LEU 618 HA 0.42 0.01 0.37 -0.75 4.35 4.40 3n9mA1 LEU 618 HB2 0.18 0.05 0.08 -0.04 1.64 1.91 3n9mA1 LEU 618 HB3 0.21 0.05 0.11 -0.04 1.64 1.97 3n9mA1 LEU 618 HG 0.31 0.02 -0.41 -0.04 1.64 1.51 3n9mA1 LEU 618 HD13 0.18 -0.02 -0.05 -0.04 0.93 1.00 3n9mA1 LEU 618 HD23 0.23 0.04 -0.02 -0.04 0.89 1.10 3n9mA1 LEU 619 H 0.21 0.65 -0.28 -0.55 8.37 8.41 3n9mA1 LEU 619 HA 0.30 0.01 0.31 -0.75 4.35 4.22 3n9mA1 LEU 619 HB2 0.24 0.11 0.08 -0.04 1.64 2.04 3n9mA1 LEU 619 HB3 -0.03 0.19 0.08 -0.04 1.64 1.83 3n9mA1 LEU 619 HG 0.21 -0.04 -0.05 -0.04 1.64 1.72 3n9mA1 LEU 619 HD13 0.16 -0.02 -0.05 -0.04 0.93 0.98 3n9mA1 LEU 619 HD23 -0.58 -0.02 -0.34 -0.04 0.89 -0.10 3n9mA1 HIS 620 H 0.18 0.40 -0.31 -0.55 8.41 8.14 3n9mA1 HIS 620 HA -0.02 0.01 0.56 -0.75 4.63 4.42 3n9mA1 HIS 620 HB2 0.10 0.12 0.15 -0.04 3.26 3.59 3n9mA1 HIS 620 HB3 -0.21 -0.05 0.03 -0.04 3.20 2.93 3n9mA1 HIS 620 HD2 -0.26 -0.05 0.00 -0.04 6.97 6.62 3n9mA1 HIS 620 HE1 -1.92 -0.03 -0.03 -0.04 7.75 5.73 3n9mA1 TRP 621 H 0.34 0.52 -0.03 -0.55 7.97 8.26 3n9mA1 TRP 621 HA 0.13 0.02 0.53 -0.75 4.62 4.55 3n9mA1 TRP 621 HB2 0.13 0.15 0.19 -0.04 3.23 3.66 3n9mA1 TRP 621 HB3 0.10 -0.04 -0.02 -0.04 3.23 3.23 3n9mA1 TRP 621 HD1 0.18 -0.01 -0.43 -0.04 7.22 6.92 3n9mA1 TRP 621 HE1 0.31 -0.04 -0.10 -0.04 10.20 10.33 3n9mA1 TRP 621 HE3 0.09 -0.03 0.01 -0.04 7.59 7.62 3n9mA1 TRP 621 HZ2 0.30 0.01 -0.07 -0.04 7.44 7.63 3n9mA1 TRP 621 HZ3 0.06 0.01 0.03 -0.04 7.13 7.19 3n9mA1 TRP 621 HH2 0.10 0.01 -0.05 -0.04 7.19 7.21 3n9mA1 MET 622 H 0.30 0.67 -0.00 -0.55 8.47 8.89 3n9mA1 MET 622 HA 0.10 0.02 0.42 -0.75 4.52 4.29 3n9mA1 MET 622 HB2 0.10 0.10 0.09 -0.04 2.15 2.39 3n9mA1 MET 622 HB3 -0.09 0.01 -0.02 -0.04 2.03 1.89 3n9mA1 MET 622 HG2 0.17 0.08 -0.01 -0.04 2.63 2.83 3n9mA1 MET 622 HG3 0.01 0.02 -0.04 -0.04 2.56 2.52 3n9mA1 MET 622 HE3 0.15 0.00 -0.13 -0.04 2.10 2.07 3n9mA1 TYR 623 H 0.18 0.57 -0.19 -0.55 8.29 8.30 3n9mA1 TYR 623 HA -0.04 0.05 0.36 -0.75 4.56 4.18 3n9mA1 TYR 623 HB2 -0.08 0.20 0.15 -0.04 3.06 3.29 3n9mA1 TYR 623 HB3 -0.08 0.01 0.12 -0.04 2.98 2.99 3n9mA1 TYR 623 HD2 -0.02 0.05 -0.12 -0.04 7.15 7.02 3n9mA1 TYR 623 HE2 0.02 0.02 -0.01 -0.04 6.85 6.83 3n9mA1 MET 624 H 0.14 0.65 -0.20 -0.55 8.47 8.51 3n9mA1 MET 624 HA 0.08 -0.10 0.48 -0.75 4.52 4.22 3n9mA1 MET 624 HB2 -0.03 0.00 0.13 -0.04 2.15 2.21 3n9mA1 MET 624 HB3 0.06 0.16 0.24 -0.04 2.03 2.45 3n9mA1 MET 624 HG2 -0.05 -0.01 -0.05 -0.04 2.63 2.48 3n9mA1 MET 624 HG3 0.06 0.02 -0.27 -0.04 2.56 2.32 3n9mA1 MET 624 HE3 -0.11 0.03 -0.01 -0.04 2.10 1.97 3n9mA1 ARG 625 H 0.10 0.66 -0.13 -0.55 8.46 8.55 3n9mA1 ARG 625 HA 0.06 -0.01 0.37 -0.75 4.34 4.01 3n9mA1 ARG 625 HB2 0.15 -0.01 0.08 -0.04 1.90 2.08 3n9mA1 ARG 625 HB3 0.07 0.06 0.13 -0.04 1.80 2.01 3n9mA1 ARG 625 HG2 0.03 -0.00 -0.06 -0.04 1.67 1.60 3n9mA1 ARG 625 HG3 0.07 -0.06 -0.01 -0.04 1.67 1.63 3n9mA1 ARG 625 HD2 0.01 0.06 -0.09 -0.04 3.22 3.16 3n9mA1 ARG 625 HD3 0.01 -0.00 -0.09 -0.04 3.22 3.10 3n9mA1 ASN 626 H -0.04 0.71 0.01 -0.55 8.53 8.65 3n9mA1 ASN 626 HA -0.06 0.09 0.52 -0.75 4.76 4.55 3n9mA1 ASN 626 HB2 -0.16 0.05 0.10 -0.04 2.88 2.82 3n9mA1 ASN 626 HB3 -0.13 0.01 0.02 -0.04 2.79 2.65 3n9mA1 ASN 626 HD21 -0.13 -0.04 0.02 -0.04 7.03 6.83 3n9mA1 ASN 626 HD22 -0.19 0.03 0.00 -0.04 7.74 7.53 3n9mA1 VAL 627 H -0.21 0.45 -0.05 -0.55 8.24 7.87 3n9mA1 VAL 627 HA -0.17 0.19 0.80 -0.75 4.13 4.20 3n9mA1 VAL 627 HB -0.85 0.05 0.24 -0.04 2.12 1.51 3n9mA1 VAL 627 HG13 -0.24 -0.02 -0.08 -0.04 0.97 0.58 3n9mA1 VAL 627 HG23 -0.62 0.01 -0.04 -0.04 0.95 0.26 3n9mA1 LEU 628 H -0.10 0.42 0.21 -0.55 8.37 8.35 3n9mA1 LEU 628 HA 0.03 -0.00 0.31 -0.75 4.35 3.94 3n9mA1 LEU 628 HB2 0.06 0.05 0.23 -0.04 1.64 1.95 3n9mA1 LEU 628 HB3 0.04 -0.00 0.01 -0.04 1.64 1.65 3n9mA1 LEU 628 HG 0.08 0.02 0.01 -0.04 1.64 1.71 3n9mA1 LEU 628 HD13 0.16 -0.01 -0.03 -0.04 0.93 1.02 3n9mA1 LEU 628 HD23 0.19 -0.00 -0.07 -0.04 0.89 0.97 3n9mA1 LEU 629 H 0.01 0.84 0.05 -0.55 8.37 8.72 3n9mA1 LEU 629 HA 0.05 -0.05 0.40 -0.75 4.35 3.99 3n9mA1 LEU 629 HB2 0.03 0.25 0.18 -0.04 1.64 2.06 3n9mA1 LEU 629 HB3 0.02 0.15 0.03 -0.04 1.64 1.81 3n9mA1 LEU 629 HG 0.05 -0.04 -0.02 -0.04 1.64 1.59 3n9mA1 LEU 629 HD13 0.04 -0.01 -0.05 -0.04 0.93 0.88 3n9mA1 LEU 629 HD23 0.05 -0.02 0.02 -0.04 0.89 0.90 3n9mA1 GLU 630 H -0.01 0.28 -0.48 -0.55 8.60 7.85 3n9mA1 GLU 630 HA 0.01 -0.00 0.40 -0.75 4.29 3.94 3n9mA1 GLU 630 HB2 -0.02 0.15 0.06 -0.04 2.09 2.24 3n9mA1 GLU 630 HB3 -0.02 0.11 0.08 -0.04 1.99 2.12 3n9mA1 GLU 630 HG2 -0.01 -0.07 -0.08 -0.04 2.34 2.14 3n9mA1 GLU 630 HG3 -0.01 -0.07 0.05 -0.04 2.34 2.28 3n9mA1 LYS 631 H 0.01 0.48 -0.09 -0.55 8.42 8.27 3n9mA1 LYS 631 HA 0.02 0.01 0.42 -0.75 4.32 4.01 3n9mA1 LYS 631 HB2 0.05 0.15 0.15 -0.04 1.87 2.18 3n9mA1 LYS 631 HB3 0.06 -0.08 -0.02 -0.04 1.79 1.70 3n9mA1 LYS 631 HG2 0.00 0.15 0.07 -0.04 1.46 1.64 3n9mA1 LYS 631 HG3 0.04 -0.06 -0.00 -0.04 1.46 1.39 3n9mA1 LYS 631 HD2 0.03 -0.05 0.01 -0.04 1.69 1.64 3n9mA1 LYS 631 HD3 0.02 -0.01 0.03 -0.04 1.68 1.68 3n9mA1 LYS 631 HE2 0.02 -0.02 -0.00 -0.04 2.99 2.95 3n9mA1 LYS 631 HE3 0.00 0.05 0.00 -0.04 2.99 3.00 3n9mA1 ILE 632 H 0.07 0.50 -0.21 -0.55 8.25 8.06 3n9mA1 ILE 632 HA 0.08 -0.01 0.42 -0.75 4.18 3.91 3n9mA1 ILE 632 HB 0.10 0.12 0.16 -0.04 1.89 2.23 3n9mA1 ILE 632 HG12 0.31 -0.08 -0.03 -0.04 1.49 1.66 3n9mA1 ILE 632 HG13 0.14 0.19 0.05 -0.04 1.21 1.56 3n9mA1 ILE 632 HG23 0.16 -0.03 -0.21 -0.04 0.93 0.81 3n9mA1 ILE 632 HD13 0.17 -0.02 -0.06 -0.04 0.88 0.93 3n9mA1 THR 633 H 0.04 0.84 0.12 -0.55 8.28 8.73 3n9mA1 THR 633 HA 0.03 -0.03 0.43 -0.75 4.39 4.06 3n9mA1 THR 633 HB 0.02 0.08 0.21 -0.04 4.32 4.58 3n9mA1 THR 633 HG23 0.01 -0.02 -0.11 -0.04 1.22 1.06 3n9mA1 GLU 634 H 0.01 0.81 -0.18 -0.55 8.60 8.69 3n9mA1 GLU 634 HA 0.00 -0.00 0.45 -0.75 4.29 3.99 3n9mA1 GLU 634 HB2 0.01 0.10 0.14 -0.04 2.09 2.30 3n9mA1 GLU 634 HB3 0.00 -0.07 0.01 -0.04 1.99 1.89 3n9mA1 GLU 634 HG2 0.00 -0.06 0.02 -0.04 2.34 2.26 3n9mA1 GLU 634 HG3 0.00 0.12 0.08 -0.04 2.34 2.51 3n9mA1 ALA 635 H 0.01 0.63 -0.07 -0.55 8.40 8.42 3n9mA1 ALA 635 HA -0.02 -0.04 0.39 -0.75 4.34 3.91 3n9mA1 ALA 635 HB3 -0.02 -0.00 0.11 -0.04 1.41 1.45 3n9mA1 ASN 636 H -0.01 0.53 -0.40 -0.55 8.53 8.10 3n9mA1 ASN 636 HA -0.04 0.06 0.70 -0.75 4.76 4.73 3n9mA1 ASN 636 HB2 0.00 0.21 0.20 -0.04 2.88 3.25 3n9mA1 ASN 636 HB3 -0.01 -0.07 0.02 -0.04 2.79 2.69 3n9mA1 ASN 636 HD21 0.04 0.16 0.04 -0.04 7.03 7.23 3n9mA1 ASN 636 HD22 0.03 -0.04 0.00 -0.04 7.74 7.69 3n9mA1 GLN 637 H -0.01 0.52 0.08 -0.55 8.47 8.52 3n9mA1 GLN 637 HA -0.01 -0.01 0.39 -0.75 4.36 3.98 3n9mA1 GLN 637 HB2 -0.00 0.15 0.21 -0.04 2.15 2.47 3n9mA1 GLN 637 HB3 -0.00 -0.06 0.09 -0.04 2.02 2.00 3n9mA1 GLN 637 HG2 -0.00 -0.06 0.08 -0.04 2.40 2.37 3n9mA1 GLN 637 HG3 0.00 0.26 0.10 -0.04 2.39 2.71 3n9mA1 GLN 637 HE21 0.00 -0.03 -0.04 -0.04 6.97 6.87 3n9mA1 GLN 637 HE22 0.00 -0.00 -0.07 -0.04 7.69 7.58 3n9mA1 GLU 638 H -0.02 0.18 -0.70 -0.55 8.60 7.52 3n9mA1 GLU 638 HA -0.01 0.19 0.88 -0.75 4.29 4.59 3n9mA1 GLU 638 HB2 -0.02 -0.05 0.09 -0.04 2.09 2.08 3n9mA1 GLU 638 HB3 -0.01 -0.01 -0.01 -0.04 1.99 1.92 3n9mA1 GLU 638 HG2 -0.01 0.33 0.01 -0.04 2.34 2.62 3n9mA1 GLU 638 HG3 -0.02 0.02 -0.01 -0.04 2.34 2.28 3n9mA1 GLY 639 H -0.02 0.61 -0.17 -0.55 8.43 8.30 3n9mA1 GLY 639 HA2 -0.04 0.03 0.37 -0.51 4.01 3.86 3n9mA1 GLY 639 HA3 -0.03 -0.01 0.42 -0.51 4.01 3.89 3n9mA1 SER 640 H -0.04 0.47 -0.07 -0.55 8.46 8.27 3n9mA1 SER 640 HA -0.05 0.08 0.62 -0.75 4.49 4.39 3n9mA1 SER 640 HB2 -0.04 0.12 0.15 -0.04 3.95 4.14 3n9mA1 SER 640 HB3 -0.05 -0.14 -0.14 -0.04 3.93 3.55 3n9mA1 ASP 641 H -0.07 0.17 0.12 -0.55 8.40 8.07 3n9mA1 ASP 641 HA -0.19 0.19 0.76 -0.75 4.63 4.64 3n9mA1 ASP 641 HB2 -0.10 0.18 0.05 -0.04 2.71 2.80 3n9mA1 ASP 641 HB3 -0.08 -0.02 0.24 -0.04 2.70 2.79 3n9mA1 MET 642 H -0.29 0.35 0.02 -0.55 8.47 8.00 3n9mA1 MET 642 HA -0.08 0.02 0.09 -0.75 4.52 3.79 3n9mA1 MET 642 HB2 -0.49 0.02 0.01 -0.04 2.15 1.65 3n9mA1 MET 642 HB3 -0.00 0.03 -0.03 -0.04 2.03 1.98 3n9mA1 MET 642 HG2 -0.06 0.00 -0.04 -0.04 2.63 2.50 3n9mA1 MET 642 HG3 -0.21 0.12 0.01 -0.04 2.56 2.44 3n9mA1 MET 642 HE3 0.17 -0.01 -0.13 -0.04 2.10 2.09 3n9mA1 ARG 643 H -0.22 0.11 -0.59 -0.55 8.46 7.21 3n9mA1 ARG 643 HA 0.01 -0.02 0.41 -0.75 4.34 3.98 3n9mA1 ARG 643 HB2 -0.09 0.04 0.02 -0.04 1.90 1.83 3n9mA1 ARG 643 HB3 -0.01 0.05 0.01 -0.04 1.80 1.80 3n9mA1 ARG 643 HG2 0.05 0.02 0.02 -0.04 1.67 1.72 3n9mA1 ARG 643 HG3 -0.10 -0.07 -0.04 -0.04 1.67 1.42 3n9mA1 ARG 643 HD2 -0.08 0.02 -0.02 -0.04 3.22 3.10 3n9mA1 ARG 643 HD3 -0.21 -0.03 -0.01 -0.04 3.22 2.93 3n9mA1 GLU 644 H -0.06 0.73 -0.05 -0.55 8.60 8.67 3n9mA1 GLU 644 HA -0.02 0.06 0.39 -0.75 4.29 3.97 3n9mA1 GLU 644 HB2 -0.03 -0.14 0.13 -0.04 2.09 2.01 3n9mA1 GLU 644 HB3 -0.02 0.01 0.04 -0.04 1.99 1.98 3n9mA1 GLU 644 HG2 -0.05 -0.01 0.20 -0.04 2.34 2.43 3n9mA1 GLU 644 HG3 -0.05 -0.10 0.15 -0.04 2.34 2.30 3n9mA1 GLN 645 H -0.01 0.12 -0.07 -0.55 8.47 7.96 3n9mA1 GLN 645 HA 0.01 0.25 0.88 -0.75 4.36 4.75 3n9mA1 GLN 645 HB2 -0.00 -0.00 0.00 -0.04 2.15 2.11 3n9mA1 GLN 645 HB3 0.01 0.01 0.14 -0.04 2.02 2.14 3n9mA1 GLN 645 HG2 -0.01 -0.08 -0.23 -0.04 2.40 2.04 3n9mA1 GLN 645 HG3 -0.00 0.02 -0.04 -0.04 2.39 2.33 3n9mA1 GLN 645 HE21 -0.00 0.00 -0.02 -0.04 6.97 6.91 3n9mA1 GLN 645 HE22 -0.00 -0.02 -0.07 -0.04 7.69 7.55 3n9mA1 GLU 646 H 0.02 0.39 -0.18 -0.55 8.60 8.28 3n9mA1 GLU 646 HA 0.06 0.13 0.79 -0.75 4.29 4.51 3n9mA1 GLU 646 HB2 0.03 0.01 0.05 -0.04 2.09 2.14 3n9mA1 GLU 646 HB3 0.08 -0.13 0.18 -0.04 1.99 2.09 3n9mA1 GLU 646 HG2 0.04 0.03 0.02 -0.04 2.34 2.40 3n9mA1 GLU 646 HG3 0.02 0.00 -0.48 -0.04 2.34 1.85 3n9mA1 LYS 647 H 0.06 0.26 -0.03 -0.55 8.42 8.15 3n9mA1 LYS 647 HA 0.17 0.03 0.36 -0.75 4.32 4.13 3n9mA1 LYS 647 HB2 0.06 0.30 0.20 -0.04 1.87 2.39 3n9mA1 LYS 647 HB3 0.08 -0.03 0.09 -0.04 1.79 1.88 3n9mA1 LYS 647 HG2 0.14 -0.07 -0.02 -0.04 1.46 1.47 3n9mA1 LYS 647 HG3 0.13 -0.05 0.09 -0.04 1.46 1.59 3n9mA1 LYS 647 HD2 0.05 0.11 0.06 -0.04 1.69 1.88 3n9mA1 LYS 647 HD3 0.06 -0.00 0.01 -0.04 1.68 1.71 3n9mA1 LYS 647 HE2 0.09 -0.04 -0.01 -0.04 2.99 3.00 3n9mA1 LYS 647 HE3 0.08 -0.01 0.01 -0.04 2.99 3.04 3n9mA1 ASN 648 H 0.08 0.17 -0.09 -0.55 8.53 8.14 3n9mA1 ASN 648 HA 0.07 0.08 0.38 -0.75 4.76 4.54 3n9mA1 ASN 648 HB2 0.08 0.03 -0.05 -0.04 2.88 2.89 3n9mA1 ASN 648 HB3 0.06 0.07 0.09 -0.04 2.79 2.97 3n9mA1 ASN 648 HD21 0.06 0.12 0.01 -0.04 7.03 7.18 3n9mA1 ASN 648 HD22 0.08 0.02 -0.06 -0.04 7.74 7.74 3n9mA1 ILE 649 H 0.11 0.14 -0.41 -0.55 8.25 7.55 3n9mA1 ILE 649 HA 0.10 0.05 0.43 -0.75 4.18 4.00 3n9mA1 ILE 649 HB 0.13 0.14 0.07 -0.04 1.89 2.20 3n9mA1 ILE 649 HG12 0.09 -0.08 0.02 -0.04 1.49 1.47 3n9mA1 ILE 649 HG13 0.08 0.06 0.02 -0.04 1.21 1.33 3n9mA1 ILE 649 HG23 0.11 -0.00 -0.08 -0.04 0.93 0.92 3n9mA1 ILE 649 HD13 0.10 0.00 -0.04 -0.04 0.88 0.90 3n9mA1 TRP 650 H 0.29 0.52 -0.08 -0.55 7.97 8.15 3n9mA1 TRP 650 HA 0.01 0.04 0.47 -0.75 4.62 4.38 3n9mA1 TRP 650 HB2 0.01 -0.01 0.01 -0.04 3.23 3.20 3n9mA1 TRP 650 HB3 0.01 0.11 0.15 -0.04 3.23 3.46 3n9mA1 TRP 650 HD1 0.00 0.01 -0.09 -0.04 7.22 7.10 3n9mA1 TRP 650 HE1 -0.00 0.03 -0.06 -0.04 10.20 10.13 3n9mA1 TRP 650 HE3 0.00 0.00 0.02 -0.04 7.59 7.57 3n9mA1 TRP 650 HZ2 -0.00 0.03 -0.03 -0.04 7.44 7.40 3n9mA1 TRP 650 HZ3 -0.00 0.00 -0.00 -0.04 7.13 7.09 3n9mA1 TRP 650 HH2 -0.00 0.17 0.07 -0.04 7.19 7.38 3n9mA1 THR 651 H 0.12 0.69 -0.00 -0.55 8.28 8.54 3n9mA1 THR 651 HA -0.28 0.03 0.45 -0.75 4.39 3.83 3n9mA1 THR 651 HB -0.04 -0.03 0.06 -0.04 4.32 4.27 3n9mA1 THR 651 HG23 0.09 0.07 0.01 -0.04 1.22 1.35 3n9mA1 ALA 652 H -0.01 0.44 -0.25 -0.55 8.40 8.04 3n9mA1 ALA 652 HA -0.06 0.00 0.50 -0.75 4.34 4.03 3n9mA1 ALA 652 HB3 0.01 0.03 0.14 -0.04 1.41 1.55 3n9mA1 SER 653 H -0.12 0.40 -0.35 -0.55 8.46 7.85 3n9mA1 SER 653 HA -0.10 0.01 0.49 -0.75 4.49 4.15 3n9mA1 SER 653 HB2 -0.26 0.12 0.15 -0.04 3.95 3.91 3n9mA1 SER 653 HB3 -0.10 -0.06 0.03 -0.04 3.93 3.76 3n9mA1 GLN 654 H -0.45 0.44 -0.07 -0.55 8.47 7.85 3n9mA1 GLN 654 HA -0.33 0.04 0.44 -0.75 4.36 3.76 3n9mA1 GLN 654 HB2 -0.36 0.05 0.14 -0.04 2.15 1.95 3n9mA1 GLN 654 HB3 -0.31 -0.02 0.04 -0.04 2.02 1.69 3n9mA1 GLN 654 HG2 -0.86 -0.03 0.03 -0.04 2.40 1.50 3n9mA1 GLN 654 HG3 -1.20 0.27 0.14 -0.04 2.39 1.55 3n9mA1 GLN 654 HE21 0.01 -0.00 -0.02 -0.04 6.97 6.91 3n9mA1 GLN 654 HE22 -0.30 0.00 -0.01 -0.04 7.69 7.34 3n9mA1 ILE 655 H -0.20 0.50 -0.09 -0.55 8.25 7.90 3n9mA1 ILE 655 HA -0.14 0.03 0.41 -0.75 4.18 3.72 3n9mA1 ILE 655 HB -0.12 0.08 0.16 -0.04 1.89 1.97 3n9mA1 ILE 655 HG12 -0.09 -0.04 0.05 -0.04 1.49 1.37 3n9mA1 ILE 655 HG13 -0.12 0.14 0.13 -0.04 1.21 1.32 3n9mA1 ILE 655 HG23 -0.10 -0.03 -0.19 -0.04 0.93 0.57 3n9mA1 ILE 655 HD13 -0.06 -0.03 -0.01 -0.04 0.88 0.75 3n9mA1 MET 656 H -0.17 0.54 -0.16 -0.55 8.47 8.13 3n9mA1 MET 656 HA -0.28 -0.01 0.35 -0.75 4.52 3.83 3n9mA1 MET 656 HB2 -0.13 0.04 0.15 -0.04 2.15 2.18 3n9mA1 MET 656 HB3 -0.15 0.08 0.15 -0.04 2.03 2.07 3n9mA1 MET 656 HG2 -0.29 -0.02 -0.13 -0.04 2.63 2.14 3n9mA1 MET 656 HG3 -0.20 -0.05 0.05 -0.04 2.56 2.32 3n9mA1 MET 656 HE3 -0.09 -0.00 -0.01 -0.04 2.10 1.95 3n9mA1 LYS 657 H -0.22 0.67 -0.20 -0.55 8.42 8.12 3n9mA1 LYS 657 HA -0.28 -0.02 0.44 -0.75 4.32 3.70 3n9mA1 LYS 657 HB2 -0.16 0.03 0.11 -0.04 1.87 1.81 3n9mA1 LYS 657 HB3 -0.19 0.10 0.20 -0.04 1.79 1.85 3n9mA1 LYS 657 HG2 -0.13 -0.03 -0.28 -0.04 1.46 0.98 3n9mA1 LYS 657 HG3 -0.11 -0.06 -0.01 -0.04 1.46 1.24 3n9mA1 LYS 657 HD2 -0.07 -0.00 -0.11 -0.04 1.69 1.47 3n9mA1 LYS 657 HD3 -0.12 0.02 -0.04 -0.04 1.68 1.50 3n9mA1 LYS 657 HE2 -0.03 -0.03 -0.06 -0.04 2.99 2.83 3n9mA1 LYS 657 HE3 -0.02 0.00 -0.05 -0.04 2.99 2.88 3n9mA1 ALA 658 H -0.21 0.70 -0.06 -0.55 8.40 8.28 3n9mA1 ALA 658 HA -0.15 -0.02 0.38 -0.75 4.34 3.79 3n9mA1 ALA 658 HB3 -0.13 0.03 0.11 -0.04 1.41 1.38 3n9mA1 GLU 659 H -0.32 0.48 -0.21 -0.55 8.60 8.00 3n9mA1 GLU 659 HA -0.31 0.02 0.41 -0.75 4.29 3.66 3n9mA1 GLU 659 HB2 -0.28 0.02 0.09 -0.04 2.09 1.88 3n9mA1 GLU 659 HB3 -0.68 0.12 0.11 -0.04 1.99 1.50 3n9mA1 GLU 659 HG2 -0.20 -0.02 -0.02 -0.04 2.34 2.07 3n9mA1 GLU 659 HG3 -1.04 -0.04 -0.13 -0.04 2.34 1.10 3n9mA1 MET 660 H -0.70 0.56 -0.13 -0.55 8.47 7.66 3n9mA1 MET 660 HA -1.26 -0.02 0.49 -0.75 4.52 2.97 3n9mA1 MET 660 HB2 -0.57 0.12 0.18 -0.04 2.15 1.84 3n9mA1 MET 660 HB3 -0.87 -0.08 0.03 -0.04 2.03 1.07 3n9mA1 MET 660 HG2 -1.24 -0.08 -0.03 -0.04 2.63 1.24 3n9mA1 MET 660 HG3 -1.18 0.06 0.03 -0.04 2.56 1.44 3n9mA1 MET 660 HE3 -1.10 -0.01 -0.05 -0.04 2.10 0.90 3n9mA1 GLU 661 H -0.27 0.77 -0.06 -0.55 8.60 8.49 3n9mA1 GLU 661 HA 0.01 -0.03 0.47 -0.75 4.29 3.99 3n9mA1 GLU 661 HB2 -0.11 0.19 0.17 -0.04 2.09 2.30 3n9mA1 GLU 661 HB3 -0.03 -0.06 0.03 -0.04 1.99 1.88 3n9mA1 GLU 661 HG2 -0.11 0.14 -0.01 -0.04 2.34 2.32 3n9mA1 GLU 661 HG3 -0.07 -0.03 -0.06 -0.04 2.34 2.14 3n9mA1 ARG 662 H -0.18 0.49 -0.24 -0.55 8.46 7.98 3n9mA1 ARG 662 HA 0.03 0.00 0.49 -0.75 4.34 4.12 3n9mA1 ARG 662 HB2 -0.03 -0.01 0.11 -0.04 1.90 1.92 3n9mA1 ARG 662 HB3 -0.09 0.22 0.19 -0.04 1.80 2.07 3n9mA1 ARG 662 HG2 0.24 0.00 -0.23 -0.04 1.67 1.64 3n9mA1 ARG 662 HG3 0.08 -0.06 0.04 -0.04 1.67 1.69 3n9mA1 ARG 662 HD2 -0.02 -0.02 -0.00 -0.04 3.22 3.14 3n9mA1 ARG 662 HD3 0.06 0.01 -0.01 -0.04 3.22 3.25 3n9mA1 TRP 663 H -0.03 0.35 -0.21 -0.55 7.97 7.54 3n9mA1 TRP 663 HA 0.11 0.04 0.44 -0.75 4.62 4.46 3n9mA1 TRP 663 HB2 0.20 0.13 0.14 -0.04 3.23 3.66 3n9mA1 TRP 663 HB3 0.26 -0.08 0.01 -0.04 3.23 3.38 3n9mA1 TRP 663 HD1 0.12 -0.04 -0.11 -0.04 7.22 7.15 3n9mA1 TRP 663 HE1 0.28 -0.02 -0.05 -0.04 10.20 10.37 3n9mA1 TRP 663 HE3 -0.13 0.01 -0.02 -0.04 7.59 7.41 3n9mA1 TRP 663 HZ2 -0.15 0.00 -0.08 -0.04 7.44 7.17 3n9mA1 TRP 663 HZ3 -0.48 0.03 0.01 -0.04 7.13 6.65 3n9mA1 TRP 663 HH2 -0.87 0.02 -0.05 -0.04 7.19 6.25 3n9mA1 MET 664 H 0.30 0.59 -0.10 -0.55 8.47 8.72 3n9mA1 MET 664 HA 0.28 0.00 0.42 -0.75 4.52 4.48 3n9mA1 MET 664 HB2 0.18 0.15 0.22 -0.04 2.15 2.65 3n9mA1 MET 664 HB3 0.16 -0.04 -0.02 -0.04 2.03 2.09 3n9mA1 MET 664 HG2 0.65 -0.01 0.00 -0.04 2.63 3.23 3n9mA1 MET 664 HG3 0.35 -0.01 -0.02 -0.04 2.56 2.84 3n9mA1 MET 664 HE3 0.08 0.00 -0.03 -0.04 2.10 2.12 3n9mA1 ASP 665 H 0.12 0.56 -0.07 -0.55 8.40 8.47 3n9mA1 ASP 665 HA 0.07 -0.01 0.39 -0.75 4.63 4.33 3n9mA1 ASP 665 HB2 0.06 0.07 0.14 -0.04 2.71 2.94 3n9mA1 ASP 665 HB3 0.07 0.09 0.10 -0.04 2.70 2.92 3n9mA1 ARG 666 H 0.15 0.54 -0.22 -0.55 8.46 8.37 3n9mA1 ARG 666 HA 0.07 -0.00 0.45 -0.75 4.34 4.10 3n9mA1 ARG 666 HB2 0.13 0.04 0.12 -0.04 1.90 2.15 3n9mA1 ARG 666 HB3 0.18 0.12 0.12 -0.04 1.80 2.18 3n9mA1 ARG 666 HG2 0.05 0.03 -0.16 -0.04 1.67 1.55 3n9mA1 ARG 666 HG3 0.05 -0.03 0.03 -0.04 1.67 1.68 3n9mA1 ARG 666 HD2 0.02 -0.01 -0.04 -0.04 3.22 3.14 3n9mA1 ARG 666 HD3 0.10 -0.02 -0.02 -0.04 3.22 3.23 3n9mA1 GLU 667 H 0.14 0.42 -0.44 -0.55 8.60 8.16 3n9mA1 GLU 667 HA 0.06 0.24 0.22 -0.75 4.29 4.06 3n9mA1 GLU 667 HB2 0.14 0.08 0.09 -0.04 2.09 2.36 3n9mA1 GLU 667 HB3 0.10 0.11 0.08 -0.04 1.99 2.24 3n9mA1 GLU 667 HG2 0.03 -0.03 -0.09 -0.04 2.34 2.21 3n9mA1 GLU 667 HG3 0.04 0.01 -0.24 -0.04 2.34 2.11 3n9mA1 LEU 668 H 0.07 0.32 -0.25 -0.55 8.37 7.97 3n9mA1 LEU 668 HA 0.03 0.04 0.59 -0.75 4.35 4.26 3n9mA1 LEU 668 HB2 0.04 0.05 0.19 -0.04 1.64 1.88 3n9mA1 LEU 668 HB3 0.03 -0.05 0.03 -0.04 1.64 1.62 3n9mA1 LEU 668 HG 0.07 0.30 0.00 -0.04 1.64 1.97 3n9mA1 LEU 668 HD13 0.04 -0.03 -0.03 -0.04 0.93 0.88 3n9mA1 LEU 668 HD23 0.04 -0.03 -0.07 -0.04 0.89 0.79 3n9mA1 ARG 669 H 0.04 0.53 0.09 -0.55 8.46 8.57 3n9mA1 ARG 669 HA 0.02 0.00 0.38 -0.75 4.34 3.98 3n9mA1 ARG 669 HB2 0.02 0.06 0.09 -0.04 1.90 2.03 3n9mA1 ARG 669 HB3 0.02 -0.04 0.07 -0.04 1.80 1.80 3n9mA1 ARG 669 HG2 0.02 -0.07 0.06 -0.04 1.67 1.63 3n9mA1 ARG 669 HG3 0.03 0.33 0.14 -0.04 1.67 2.13 3n9mA1 ARG 669 HD2 0.01 -0.04 0.01 -0.04 3.22 3.16 3n9mA1 ARG 669 HD3 0.02 -0.05 -0.03 -0.04 3.22 3.12 3n9mA1 LEU 670 H 0.03 0.37 -0.27 -0.55 8.37 7.95 3n9mA1 LEU 670 HA 0.01 0.13 0.85 -0.75 4.35 4.59 3n9mA1 LEU 670 HB2 0.02 0.17 0.04 -0.04 1.64 1.83 3n9mA1 LEU 670 HB3 0.01 -0.08 0.11 -0.04 1.64 1.63 3n9mA1 LEU 670 HG 0.02 0.03 0.04 -0.04 1.64 1.69 3n9mA1 LEU 670 HD13 0.00 -0.03 -0.00 -0.04 0.93 0.86 3n9mA1 LEU 670 HD23 0.01 -0.00 -0.26 -0.04 0.89 0.59 3n9mA1 GLY 671 H 0.02 0.09 -0.39 -0.55 8.43 7.61 3n9mA1 GLY 671 HA2 0.01 0.05 0.44 -0.51 4.01 4.01 3n9mA1 GLY 671 HA3 0.01 0.06 0.69 -0.51 4.01 4.26 3n9mA1 PRO 672 HA 0.02 -0.02 0.44 -0.51 4.44 4.37 3n9mA1 PRO 672 HB2 -0.00 0.09 0.01 -0.04 2.28 2.34 3n9mA1 PRO 672 HB3 -0.01 -0.08 0.17 -0.04 2.02 2.06 3n9mA1 PRO 672 HG2 -0.01 -0.01 0.11 -0.04 2.03 2.09 3n9mA1 PRO 672 HG3 -0.00 -0.03 0.14 -0.04 2.03 2.09 3n9mA1 PRO 672 HD2 0.00 0.11 0.23 -0.04 3.68 3.98 3n9mA1 PRO 672 HD3 0.01 0.17 0.26 -0.04 3.65 4.05 3n9mA1 GLU 673 H 0.01 -0.00 0.18 -0.55 8.60 8.24 3n9mA1 GLU 673 HA -0.00 0.28 0.65 -0.75 4.29 4.46 3n9mA1 GLU 673 HB2 -0.00 0.07 0.13 -0.04 2.09 2.24 3n9mA1 GLU 673 HB3 -0.00 -0.23 0.06 -0.04 1.99 1.78 3n9mA1 GLU 673 HG2 -0.03 -0.02 0.07 -0.04 2.34 2.32 3n9mA1 GLU 673 HG3 -0.02 -0.15 0.18 -0.04 2.34 2.31 3n9mA1 LYS 674 H -0.01 0.19 0.17 -0.55 8.42 8.22 3n9mA1 LYS 674 HA 0.00 0.15 0.51 -0.75 4.32 4.23 3n9mA1 LYS 674 HB2 0.00 -0.04 0.10 -0.04 1.87 1.89 3n9mA1 LYS 674 HB3 0.01 0.04 0.06 -0.04 1.79 1.86 3n9mA1 LYS 674 HG2 -0.00 0.05 0.04 -0.04 1.46 1.51 3n9mA1 LYS 674 HG3 -0.01 -0.01 0.11 -0.04 1.46 1.51 3n9mA1 LYS 674 HD2 -0.00 0.04 0.03 -0.04 1.69 1.71 3n9mA1 LYS 674 HD3 -0.00 -0.01 0.03 -0.04 1.68 1.66 3n9mA1 LYS 674 HE2 0.01 -0.01 0.01 -0.04 2.99 2.96 3n9mA1 LYS 674 HE3 0.00 0.01 0.02 -0.04 2.99 2.98 3n9mA1 ASN 675 H 0.00 -0.01 -0.11 -0.55 8.53 7.87 3n9mA1 ASN 675 HA 0.02 0.13 0.34 -0.75 4.76 4.50 3n9mA1 ASN 675 HB2 0.01 -0.04 0.01 -0.04 2.88 2.83 3n9mA1 ASN 675 HB3 0.03 -0.00 0.06 -0.04 2.79 2.83 3n9mA1 ASN 675 HD21 -0.00 0.06 0.02 -0.04 7.03 7.06 3n9mA1 ASN 675 HD22 0.02 -0.06 0.03 -0.04 7.74 7.69 3n9mA1 ALA 676 H 0.01 -0.02 -0.34 -0.55 8.40 7.50 3n9mA1 ALA 676 HA -0.00 -0.02 0.30 -0.75 4.34 3.86 3n9mA1 ALA 676 HB3 0.00 0.08 -0.12 -0.04 1.41 1.34 3n9mA1 ILE 677 H 0.01 0.14 0.09 -0.55 8.25 7.94 3n9mA1 ILE 677 HA 0.03 0.02 0.42 -0.75 4.18 3.89 3n9mA1 ILE 677 HB 0.06 0.31 0.55 -0.04 1.89 2.77 3n9mA1 ILE 677 HG12 0.04 0.09 -0.02 -0.04 1.49 1.56 3n9mA1 ILE 677 HG13 0.07 -0.05 -0.03 -0.04 1.21 1.15 3n9mA1 ILE 677 HG23 0.08 -0.02 -0.32 -0.04 0.93 0.63 3n9mA1 ILE 677 HD13 0.07 -0.01 0.04 -0.04 0.88 0.94 3n9mA1 LEU 678 H -0.02 0.37 -0.48 -0.55 8.37 7.69 3n9mA1 LEU 678 HA -0.04 0.25 0.74 -0.75 4.35 4.55 3n9mA1 LEU 678 HB2 -0.06 -0.01 0.02 -0.04 1.64 1.55 3n9mA1 LEU 678 HB3 -0.28 -0.05 -0.11 -0.04 1.64 1.16 3n9mA1 LEU 678 HG -0.02 -0.01 -0.03 -0.04 1.64 1.54 3n9mA1 LEU 678 HD13 -0.41 -0.01 -0.18 -0.04 0.93 0.29 3n9mA1 LEU 678 HD23 -0.03 0.04 0.07 -0.04 0.89 0.93 3n9mA1 PRO 679 HA -0.06 0.09 0.24 -0.51 4.44 4.19 3n9mA1 PRO 679 HB2 -0.06 -0.18 0.05 -0.04 2.28 2.05 3n9mA1 PRO 679 HB3 -0.04 0.12 0.07 -0.04 2.02 2.14 3n9mA1 PRO 679 HG2 -0.06 -0.04 0.15 -0.04 2.03 2.04 3n9mA1 PRO 679 HG3 -0.03 0.14 0.07 -0.04 2.03 2.17 3n9mA1 PRO 679 HD2 -0.05 0.20 0.22 -0.04 3.68 4.01 3n9mA1 PRO 679 HD3 -0.03 0.23 -0.09 -0.04 3.65 3.72 3n9mA1 THR 680 H -0.06 0.21 0.18 -0.55 8.28 8.06 3n9mA1 THR 680 HA -0.13 0.09 0.25 -0.75 4.39 3.85 3n9mA1 THR 680 HB -0.03 -0.03 0.12 -0.04 4.32 4.33 3n9mA1 THR 680 HG23 -0.02 0.02 -0.08 -0.04 1.22 1.10 3n9mA1 ASP 681 H -0.06 0.04 -0.35 -0.55 8.40 7.49 3n9mA1 ASP 681 HA -0.04 0.09 0.46 -0.75 4.63 4.39 3n9mA1 ASP 681 HB2 -0.03 0.04 0.08 -0.04 2.71 2.76 3n9mA1 ASP 681 HB3 -0.04 -0.05 0.09 -0.04 2.70 2.67 3n9mA1 ASP 682 H -0.08 0.14 0.01 -0.55 8.40 7.92 3n9mA1 ASP 682 HA -0.05 0.02 0.40 -0.75 4.63 4.24 3n9mA1 ASP 682 HB2 -0.12 0.10 0.12 -0.04 2.71 2.77 3n9mA1 ASP 682 HB3 -0.08 0.02 -0.03 -0.04 2.70 2.56 3n9mA1 LYS 683 H -0.27 0.44 -0.41 -0.55 8.42 7.63 3n9mA1 LYS 683 HA -0.74 -0.00 0.31 -0.75 4.32 3.13 3n9mA1 LYS 683 HB2 -0.37 0.15 -0.00 -0.04 1.87 1.60 3n9mA1 LYS 683 HB3 -0.76 -0.02 -0.07 -0.04 1.79 0.89 3n9mA1 LYS 683 HG2 -2.35 -0.04 -0.08 -0.04 1.46 -1.05 3n9mA1 LYS 683 HG3 -0.71 -0.02 -0.27 -0.04 1.46 0.42 3n9mA1 LYS 683 HD2 -0.29 -0.01 -0.16 -0.04 1.69 1.20 3n9mA1 LYS 683 HD3 -0.32 0.00 -0.08 -0.04 1.68 1.23 3n9mA1 LYS 683 HE2 -0.46 -0.06 -0.09 -0.04 2.99 2.35 3n9mA1 LYS 683 HE3 -0.42 0.01 -0.08 -0.04 2.99 2.46 3n9mA1 ASN 684 H -0.10 0.49 -0.18 -0.55 8.53 8.19 3n9mA1 ASN 684 HA 0.05 0.00 0.51 -0.75 4.76 4.57 3n9mA1 ASN 684 HB2 -0.01 0.11 0.18 -0.04 2.88 3.12 3n9mA1 ASN 684 HB3 -0.00 0.03 0.15 -0.04 2.79 2.92 3n9mA1 ASN 684 HD21 0.05 0.00 0.01 -0.04 7.03 7.05 3n9mA1 ASN 684 HD22 0.07 -0.01 0.06 -0.04 7.74 7.82 3n9mA1 LYS 685 H -0.02 0.56 0.04 -0.55 8.42 8.46 3n9mA1 LYS 685 HA 0.03 -0.02 0.41 -0.75 4.32 3.98 3n9mA1 LYS 685 HB2 -0.00 0.11 0.14 -0.04 1.87 2.07 3n9mA1 LYS 685 HB3 0.02 -0.02 0.02 -0.04 1.79 1.77 3n9mA1 LYS 685 HG2 0.01 -0.03 0.03 -0.04 1.46 1.43 3n9mA1 LYS 685 HG3 -0.01 0.10 0.01 -0.04 1.46 1.52 3n9mA1 LYS 685 HD2 -0.01 -0.03 -0.05 -0.04 1.69 1.56 3n9mA1 LYS 685 HD3 0.00 0.01 -0.01 -0.04 1.68 1.65 3n9mA1 LYS 685 HE2 0.00 0.01 -0.02 -0.04 2.99 2.94 3n9mA1 LYS 685 HE3 -0.01 -0.03 -0.05 -0.04 2.99 2.86 3n9mA1 ILE 686 H 0.04 0.57 -0.26 -0.55 8.25 8.05 3n9mA1 ILE 686 HA 0.11 0.02 0.43 -0.75 4.18 3.98 3n9mA1 ILE 686 HB 0.27 0.15 0.14 -0.04 1.89 2.41 3n9mA1 ILE 686 HG12 0.11 -0.03 0.00 -0.04 1.49 1.53 3n9mA1 ILE 686 HG13 0.05 0.21 0.02 -0.04 1.21 1.45 3n9mA1 ILE 686 HG23 0.38 -0.02 -0.14 -0.04 0.93 1.11 3n9mA1 ILE 686 HD13 0.20 -0.01 -0.09 -0.04 0.88 0.94 3n9mA1 MET 687 H 0.23 0.55 -0.03 -0.55 8.47 8.66 3n9mA1 MET 687 HA 0.17 -0.03 0.38 -0.75 4.52 4.29 3n9mA1 MET 687 HB2 0.18 0.11 0.26 -0.04 2.15 2.66 3n9mA1 MET 687 HB3 0.13 -0.05 -0.01 -0.04 2.03 2.06 3n9mA1 MET 687 HG2 0.64 0.10 0.05 -0.04 2.63 3.38 3n9mA1 MET 687 HG3 0.27 -0.03 -0.01 -0.04 2.56 2.75 3n9mA1 MET 687 HE3 0.03 -0.02 0.01 -0.04 2.10 2.08 3n9mA1 ILE 688 H 0.08 0.79 0.01 -0.55 8.25 8.58 3n9mA1 ILE 688 HA 0.05 -0.03 0.40 -0.75 4.18 3.84 3n9mA1 ILE 688 HB 0.04 0.11 0.15 -0.04 1.89 2.15 3n9mA1 ILE 688 HG12 0.04 -0.05 0.03 -0.04 1.49 1.47 3n9mA1 ILE 688 HG13 0.05 0.12 0.08 -0.04 1.21 1.42 3n9mA1 ILE 688 HG23 0.03 -0.02 -0.10 -0.04 0.93 0.80 3n9mA1 ILE 688 HD13 0.03 -0.03 -0.11 -0.04 0.88 0.73 3n9mA1 SER 689 H 0.06 0.61 -0.15 -0.55 8.46 8.43 3n9mA1 SER 689 HA 0.04 -0.02 0.41 -0.75 4.49 4.17 3n9mA1 SER 689 HB2 0.04 0.03 0.14 -0.04 3.95 4.13 3n9mA1 SER 689 HB3 0.06 0.12 0.15 -0.04 3.93 4.22 3n9mA1 VAL 690 H 0.07 0.59 -0.15 -0.55 8.24 8.20 3n9mA1 VAL 690 HA 0.05 -0.02 0.48 -0.75 4.13 3.90 3n9mA1 VAL 690 HB 0.05 0.14 0.21 -0.04 2.12 2.48 3n9mA1 VAL 690 HG13 -0.01 -0.03 -0.15 -0.04 0.97 0.74 3n9mA1 VAL 690 HG23 0.06 0.02 -0.01 -0.04 0.95 0.98 3n9mA1 ARG 691 H 0.05 0.77 0.05 -0.55 8.46 8.78 3n9mA1 ARG 691 HA 0.03 -0.02 0.43 -0.75 4.34 4.03 3n9mA1 ARG 691 HB2 0.04 0.12 0.14 -0.04 1.90 2.16 3n9mA1 ARG 691 HB3 0.03 -0.06 0.03 -0.04 1.80 1.76 3n9mA1 ARG 691 HG2 0.02 -0.07 0.02 -0.04 1.67 1.60 3n9mA1 ARG 691 HG3 0.04 0.30 -0.04 -0.04 1.67 1.93 3n9mA1 ARG 691 HD2 0.03 -0.00 -0.03 -0.04 3.22 3.18 3n9mA1 ARG 691 HD3 0.02 -0.02 -0.02 -0.04 3.22 3.16 3n9mA1 LYS 692 H 0.04 0.59 -0.19 -0.55 8.42 8.32 3n9mA1 LYS 692 HA 0.04 -0.02 0.37 -0.75 4.32 3.95 3n9mA1 LYS 692 HB2 0.03 0.04 0.13 -0.04 1.87 2.03 3n9mA1 LYS 692 HB3 0.04 0.21 0.22 -0.04 1.79 2.21 3n9mA1 LYS 692 HG2 0.03 -0.01 -0.17 -0.04 1.46 1.27 3n9mA1 LYS 692 HG3 0.03 -0.06 0.04 -0.04 1.46 1.43 3n9mA1 LYS 692 HD2 0.02 -0.02 -0.00 -0.04 1.69 1.65 3n9mA1 LYS 692 HD3 0.03 0.02 0.02 -0.04 1.68 1.70 3n9mA1 LYS 692 HE2 0.02 0.01 -0.02 -0.04 2.99 2.96 3n9mA1 LYS 692 HE3 0.02 -0.02 -0.01 -0.04 2.99 2.94 3n9mA1 GLN 693 H 0.06 0.53 -0.07 -0.55 8.47 8.44 3n9mA1 GLN 693 HA 0.05 0.03 0.49 -0.75 4.36 4.18 3n9mA1 GLN 693 HB2 0.08 0.09 0.16 -0.04 2.15 2.43 3n9mA1 GLN 693 HB3 0.08 -0.08 -0.03 -0.04 2.02 1.94 3n9mA1 GLN 693 HG2 0.04 0.23 0.12 -0.04 2.40 2.76 3n9mA1 GLN 693 HG3 0.04 -0.02 0.06 -0.04 2.39 2.44 3n9mA1 GLN 693 HE21 0.02 -0.00 -0.02 -0.04 6.97 6.92 3n9mA1 GLN 693 HE22 0.03 0.04 0.00 -0.04 7.69 7.73 3n9mA1 ILE 694 H 0.10 0.66 -0.06 -0.55 8.25 8.41 3n9mA1 ILE 694 HA 0.39 -0.02 0.46 -0.75 4.18 4.26 3n9mA1 ILE 694 HB 0.07 0.18 0.16 -0.04 1.89 2.26 3n9mA1 ILE 694 HG12 0.07 -0.06 0.02 -0.04 1.49 1.47 3n9mA1 ILE 694 HG13 0.12 0.01 0.03 -0.04 1.21 1.32 3n9mA1 ILE 694 HG23 0.13 -0.02 -0.12 -0.04 0.93 0.88 3n9mA1 ILE 694 HD13 -0.11 -0.01 -0.10 -0.04 0.88 0.61 3n9mA1 GLU 695 H 0.09 0.51 -0.31 -0.55 8.60 8.34 3n9mA1 GLU 695 HA 0.09 0.03 0.55 -0.75 4.29 4.21 3n9mA1 GLU 695 HB2 0.05 0.20 0.14 -0.04 2.09 2.43 3n9mA1 GLU 695 HB3 0.04 0.07 0.11 -0.04 1.99 2.17 3n9mA1 GLU 695 HG2 0.03 -0.01 -0.00 -0.04 2.34 2.32 3n9mA1 GLU 695 HG3 0.04 -0.04 -0.03 -0.04 2.34 2.26 3n9mA1 ILE 696 H 0.05 0.49 0.02 -0.55 8.25 8.26 3n9mA1 ILE 696 HA 0.01 0.01 0.45 -0.75 4.18 3.90 3n9mA1 ILE 696 HB 0.03 0.11 0.22 -0.04 1.89 2.21 3n9mA1 ILE 696 HG12 0.01 -0.05 0.07 -0.04 1.49 1.49 3n9mA1 ILE 696 HG13 0.03 0.16 0.17 -0.04 1.21 1.53 3n9mA1 ILE 696 HG23 -0.01 -0.01 -0.08 -0.04 0.93 0.80 3n9mA1 ILE 696 HD13 0.02 -0.02 -0.01 -0.04 0.88 0.83 3n9mA1 GLN 697 H 0.04 0.61 -0.16 -0.55 8.47 8.41 3n9mA1 GLN 697 HA -0.13 0.07 0.45 -0.75 4.36 4.00 3n9mA1 GLN 697 HB2 -0.09 0.04 0.08 -0.04 2.15 2.13 3n9mA1 GLN 697 HB3 -0.01 0.08 0.11 -0.04 2.02 2.16 3n9mA1 GLN 697 HG2 -1.02 -0.04 -0.01 -0.04 2.40 1.29 3n9mA1 GLN 697 HG3 -1.14 -0.00 -0.20 -0.04 2.39 1.01 3n9mA1 GLN 697 HE21 -0.17 0.54 0.08 -0.04 6.97 7.38 3n9mA1 GLN 697 HE22 -0.15 0.02 -0.01 -0.04 7.69 7.50 3n9mA1 THR 698 H 0.06 0.38 -0.38 -0.55 8.28 7.79 3n9mA1 THR 698 HA -0.01 -0.02 0.55 -0.75 4.39 4.16 3n9mA1 THR 698 HB 0.09 0.17 0.28 -0.04 4.32 4.82 3n9mA1 THR 698 HG23 0.07 -0.03 -0.09 -0.04 1.22 1.13 3n9mA1 LYS 699 H 0.00 0.62 -0.03 -0.55 8.42 8.46 3n9mA1 LYS 699 HA -0.00 0.01 0.45 -0.75 4.32 4.02 3n9mA1 LYS 699 HB2 -0.01 0.13 0.18 -0.04 1.87 2.13 3n9mA1 LYS 699 HB3 -0.01 -0.03 0.01 -0.04 1.79 1.73 3n9mA1 LYS 699 HG2 0.01 -0.04 0.03 -0.04 1.46 1.41 3n9mA1 LYS 699 HG3 0.02 0.08 0.04 -0.04 1.46 1.56 3n9mA1 LYS 699 HD2 0.01 0.01 -0.04 -0.04 1.69 1.63 3n9mA1 LYS 699 HD3 0.00 -0.01 -0.01 -0.04 1.68 1.62 3n9mA1 LYS 699 HE2 0.01 -0.02 -0.02 -0.04 2.99 2.93 3n9mA1 LYS 699 HE3 0.02 -0.00 -0.04 -0.04 2.99 2.92 3n9mA1 ILE 700 H -0.05 0.53 -0.14 -0.55 8.25 8.04 3n9mA1 ILE 700 HA -0.05 0.03 0.45 -0.75 4.18 3.86 3n9mA1 ILE 700 HB -0.13 0.08 0.15 -0.04 1.89 1.95 3n9mA1 ILE 700 HG12 -0.04 -0.05 0.05 -0.04 1.49 1.41 3n9mA1 ILE 700 HG13 -0.05 0.29 0.13 -0.04 1.21 1.54 3n9mA1 ILE 700 HG23 -0.09 0.01 -0.29 -0.04 0.93 0.52 3n9mA1 ILE 700 HD13 -0.06 -0.03 -0.01 -0.04 0.88 0.74 3n9mA1 GLN 701 H -0.12 0.45 -0.25 -0.55 8.47 8.01 3n9mA1 GLN 701 HA -0.10 -0.02 0.44 -0.75 4.36 3.92 3n9mA1 GLN 701 HB2 -0.10 0.18 0.19 -0.04 2.15 2.38 3n9mA1 GLN 701 HB3 -0.10 -0.08 0.05 -0.04 2.02 1.86 3n9mA1 GLN 701 HG2 -0.28 -0.18 0.07 -0.04 2.40 1.97 3n9mA1 GLN 701 HG3 -0.35 0.44 0.19 -0.04 2.39 2.63 3n9mA1 GLN 701 HE21 -2.31 -0.03 -0.06 -0.04 6.97 4.54 3n9mA1 GLN 701 HE22 -1.22 -0.06 -0.02 -0.04 7.69 6.35 3n9mA1 ASN 702 H -0.03 0.43 -0.22 -0.55 8.53 8.16 3n9mA1 ASN 702 HA -0.01 0.04 0.52 -0.75 4.76 4.55 3n9mA1 ASN 702 HB2 -0.01 0.08 0.15 -0.04 2.88 3.06 3n9mA1 ASN 702 HB3 -0.00 -0.05 0.04 -0.04 2.79 2.73 3n9mA1 ASN 702 HD21 0.03 -0.06 -0.03 -0.04 7.03 6.92 3n9mA1 ASN 702 HD22 0.02 -0.02 -0.06 -0.04 7.74 7.64 3n9mA1 ALA 703 H -0.03 0.43 -0.25 -0.55 8.40 8.00 3n9mA1 ALA 703 HA -0.01 0.03 0.48 -0.75 4.34 4.09 3n9mA1 ALA 703 HB3 -0.02 0.03 0.12 -0.04 1.41 1.50 3n9mA1 LYS 704 H -0.03 0.27 -0.35 -0.55 8.42 7.75 3n9mA1 LYS 704 HA -0.02 0.03 0.35 -0.75 4.32 3.92 3n9mA1 LYS 704 HB2 -0.03 0.14 0.06 -0.04 1.87 2.00 3n9mA1 LYS 704 HB3 -0.02 -0.08 0.14 -0.04 1.79 1.79 3n9mA1 LYS 704 HG2 -0.03 -0.03 0.04 -0.04 1.46 1.40 3n9mA1 LYS 704 HG3 -0.04 0.16 0.09 -0.04 1.46 1.63 3n9mA1 LYS 704 HD2 -0.05 -0.05 0.05 -0.04 1.69 1.60 3n9mA1 LYS 704 HD3 -0.05 -0.01 0.07 -0.04 1.68 1.65 3n9mA1 LYS 704 HE2 -0.02 0.01 0.06 -0.04 2.99 2.99 3n9mA1 LYS 704 HE3 -0.03 -0.00 0.04 -0.04 2.99 2.96 3n9mA1 ASN 705 H -0.01 0.31 -1.02 -0.55 8.53 7.27 3n9mA1 ASN 705 HA -0.01 0.01 0.67 -0.75 4.76 4.68 3n9mA1 ASN 705 HB2 -0.00 0.16 0.14 -0.04 2.88 3.13 3n9mA1 ASN 705 HB3 -0.00 -0.14 0.02 -0.04 2.79 2.63 3n9mA1 ASN 705 HD21 0.00 -0.05 0.01 -0.04 7.03 6.96 3n9mA1 ASN 705 HD22 0.00 -0.06 0.02 -0.04 7.74 7.66 3n9mA1 LYS 706 H -0.00 0.11 0.08 -0.55 8.42 8.06 3n9mA1 LYS 706 HA -0.00 0.23 0.59 -0.75 4.32 4.38 3n9mA1 LYS 706 HB2 -0.00 -0.02 0.03 -0.04 1.87 1.83 3n9mA1 LYS 706 HB3 -0.00 -0.03 0.05 -0.04 1.79 1.76 3n9mA1 LYS 706 HG2 -0.01 0.05 -0.11 -0.04 1.46 1.35 3n9mA1 LYS 706 HG3 -0.01 0.06 -0.88 -0.04 1.46 0.59 3n9mA1 LYS 706 HD2 -0.01 -0.04 -0.06 -0.04 1.69 1.55 3n9mA1 LYS 706 HD3 -0.01 -0.06 -0.04 -0.04 1.68 1.53 3n9mA1 LYS 706 HE2 -0.01 -0.00 -0.06 -0.04 2.99 2.87 3n9mA1 LYS 706 HE3 -0.01 0.11 -0.13 -0.04 2.99 2.93