============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 68 rings ring int. center anis. iso. PHE 13 1.000 -15.633 12.776 -6.302 -99.200 -91.000 TYR 16 0.840 -8.300 12.871 -11.693 -99.200 -91.000 PHE 21 1.000 -9.630 21.530 0.382 -99.200 -91.000 PHE 23 1.000 -6.491 26.304 -9.777 -99.200 -91.000 PHE 33 1.000 -1.974 23.431 -6.712 -99.200 -91.000 PHE 39 1.000 -5.370 17.064 -12.437 -99.200 -91.000 TRP 58 1.040 -3.291 16.569 -17.181 -99.200 -91.000 TRP6 58 1.020 -4.071 18.697 -16.502 -99.200 -91.000 TYR 78 0.840 5.416 18.417 -25.820 -99.200 -91.000 PHE 83 1.000 14.872 14.157 -32.371 -99.200 -91.000 TYR 86 0.840 13.175 8.656 -29.445 -99.200 -91.000 TYR 91 0.840 25.138 8.646 -25.521 -99.200 -91.000 PHE 109 1.000 17.101 9.483 -33.894 -99.200 -91.000 TRP 121 1.040 25.146 5.611 -44.779 -99.200 -91.000 TRP6 121 1.020 24.748 6.701 -42.723 -99.200 -91.000 TRP 135 1.040 22.971 18.225 -46.992 -99.200 -91.000 TRP6 135 1.020 22.613 20.542 -46.700 -99.200 -91.000 PHE 139 1.000 14.651 16.598 -40.494 -99.200 -91.000 TYR 140 0.840 16.831 13.170 -37.809 -99.200 -91.000 PHE 163 1.000 19.878 26.054 -46.441 -99.200 -91.000 TYR 166 0.840 16.576 32.037 -45.704 -99.200 -91.000 PHE 167 1.000 20.858 26.662 -40.738 -99.200 -91.000 TYR 170 0.840 14.734 29.568 -39.776 -99.200 -91.000 TYR 173 0.840 17.189 12.676 -43.203 -99.200 -91.000 TYR 178 0.840 19.039 24.309 -49.940 -99.200 -91.000 TRP 201 1.040 2.286 15.234 -41.240 -99.200 -91.000 TRP6 201 1.020 0.237 16.132 -40.461 -99.200 -91.000 TRP 203 1.040 9.896 20.672 -35.307 -99.200 -91.000 TRP6 203 1.020 11.350 20.411 -37.151 -99.200 -91.000 HIS 205 0.900 1.713 19.789 -42.094 -99.200 -91.000 TYR 213 0.840 0.324 25.009 -43.618 -99.200 -91.000 PHE 218 1.000 -0.522 21.433 -38.198 -99.200 -91.000 TYR 225 0.840 -5.463 13.702 -43.896 -99.200 -91.000 PHE 230 1.000 -3.644 13.450 -36.965 -99.200 -91.000 TYR 233 0.840 1.615 12.832 -30.211 -99.200 -91.000 TYR 234 0.840 -7.864 13.942 -33.467 -99.200 -91.000 TYR 244 0.840 -5.638 25.593 -26.748 -99.200 -91.000 TYR 250 0.840 -9.632 11.831 -29.109 -99.200 -91.000 TYR 252 0.840 -16.693 16.188 -21.580 -99.200 -91.000 PHE 254 1.000 -9.600 9.487 -23.937 -99.200 -91.000 HIS 261 0.900 -10.763 16.643 -12.591 -99.200 -91.000 PHE 273 1.000 -13.900 26.108 -16.233 -99.200 -91.000 TYR 280 0.840 -16.271 15.758 -12.030 -99.200 -91.000 PHE 284 1.000 -18.812 15.942 -7.475 -99.200 -91.000 TYR 286 0.840 -28.935 15.667 -4.623 -99.200 -91.000 TYR 295 0.840 -14.208 19.226 -9.010 -99.200 -91.000 HIS 312 0.900 -22.323 35.174 -7.063 -99.200 -91.000 PHE 325 1.000 -31.076 23.943 4.239 -99.200 -91.000 HIS 351 0.900 -13.787 37.179 -8.177 -99.200 -91.000 PHE 358 1.000 -23.747 34.508 -2.562 -99.200 -91.000 HIS 360 0.900 -29.578 38.391 6.215 -99.200 -91.000 TYR 377 0.840 -35.953 18.870 14.743 -99.200 -91.000 TYR 383 0.840 -36.797 31.989 9.955 -99.200 -91.000 TYR 389 0.840 -29.905 36.545 17.597 -99.200 -91.000 TYR 435 0.840 -29.834 32.196 20.135 -99.200 -91.000 PHE 436 1.000 -33.841 31.889 26.523 -99.200 -91.000 HIS 446 0.900 -43.031 39.667 23.573 -99.200 -91.000 TYR 466 0.840 -44.868 11.194 36.637 -99.200 -91.000 PHE 467 1.000 -38.190 7.171 32.901 -99.200 -91.000 TRP 471 1.040 -43.009 9.091 43.906 -99.200 -91.000 TRP6 471 1.020 -43.636 8.629 41.676 -99.200 -91.000 PHE 486 1.000 -48.833 22.664 43.503 -99.200 -91.000 PHE 494 1.000 -56.795 25.962 30.191 -99.200 -91.000 HIS 521 0.900 -48.160 2.849 48.830 -99.200 -91.000 TYR 528 0.840 -42.831 9.072 56.224 -99.200 -91.000 TYR 550 0.840 -56.469 24.613 36.640 -99.200 -91.000 TYR 556 0.840 -67.085 19.234 28.881 -99.200 -91.000 TYR 563 0.840 -62.367 15.739 33.736 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2qx5A1 LEU 200 HA 0.05 -0.07 0.19 -0.75 4.35 3.76 2qx5A1 LEU 200 HB2 0.10 -0.05 0.04 -0.04 1.64 1.68 2qx5A1 LEU 200 HB3 0.11 0.05 0.00 -0.04 1.64 1.76 2qx5A1 LEU 200 HG 0.07 0.00 -0.47 -0.04 1.64 1.21 2qx5A1 LEU 200 HD13 0.08 -0.05 -0.09 -0.04 0.93 0.83 2qx5A1 LEU 200 HD23 0.26 -0.02 -0.09 -0.04 0.89 0.99 2qx5A1 ASN 201 H 0.02 0.15 0.00 -0.55 8.53 8.16 2qx5A1 ASN 201 HA -0.03 0.12 0.71 -0.75 4.76 4.80 2qx5A1 ASN 201 HB2 -0.02 0.20 0.00 -0.04 2.88 3.03 2qx5A1 ASN 201 HB3 -0.00 0.01 -0.02 -0.04 2.79 2.73 2qx5A1 ASN 201 HD21 -0.02 0.10 -0.19 -0.04 7.03 6.88 2qx5A1 ASN 201 HD22 -0.01 0.06 -0.00 -0.04 7.74 7.74 2qx5A1 VAL 202 H -0.09 0.25 0.04 -0.55 8.24 7.89 2qx5A1 VAL 202 HA -0.06 0.04 0.25 -0.75 4.13 3.60 2qx5A1 VAL 202 HB -0.37 0.03 0.00 -0.04 2.12 1.75 2qx5A1 VAL 202 HG13 -1.01 0.02 -0.11 -0.04 0.97 -0.18 2qx5A1 VAL 202 HG23 -0.09 0.02 -0.01 -0.04 0.95 0.82 2qx5A1 ASN 203 H -0.08 0.08 -0.45 -0.55 8.53 7.53 2qx5A1 ASN 203 HA -0.07 0.19 0.72 -0.75 4.76 4.86 2qx5A1 ASN 203 HB2 -0.05 0.03 0.01 -0.04 2.88 2.83 2qx5A1 ASN 203 HB3 -0.04 0.05 0.10 -0.04 2.79 2.85 2qx5A1 ASN 203 HD21 -0.07 -0.05 0.00 -0.04 7.03 6.87 2qx5A1 ASN 203 HD22 -0.06 0.14 0.05 -0.04 7.74 7.84 2qx5A1 GLU 204 H -0.03 0.37 -0.24 -0.55 8.60 8.15 2qx5A1 GLU 204 HA -0.01 0.08 0.41 -0.75 4.29 4.02 2qx5A1 GLU 204 HB2 -0.01 0.00 0.15 -0.04 2.09 2.19 2qx5A1 GLU 204 HB3 -0.00 -0.02 0.17 -0.04 1.99 2.10 2qx5A1 GLU 204 HG2 0.00 -0.02 -0.22 -0.04 2.34 2.06 2qx5A1 GLU 204 HG3 0.00 0.03 0.04 -0.04 2.34 2.36 2qx5A1 ASN 205 H -0.01 0.13 -0.05 -0.55 8.53 8.06 2qx5A1 ASN 205 HA -0.00 0.30 0.68 -0.75 4.76 4.99 2qx5A1 ASN 205 HB2 0.00 -0.04 0.19 -0.04 2.88 2.99 2qx5A1 ASN 205 HB3 0.00 0.17 -0.13 -0.04 2.79 2.80 2qx5A1 ASN 205 HD21 0.02 0.02 -0.00 -0.04 7.03 7.03 2qx5A1 ASN 205 HD22 0.01 0.11 -0.07 -0.04 7.74 7.75 2qx5A1 ASN 206 H 0.00 0.24 0.17 -0.55 8.53 8.40 2qx5A1 ASN 206 HA 0.00 0.15 0.51 -0.75 4.76 4.68 2qx5A1 ASN 206 HB2 0.00 0.02 0.12 -0.04 2.88 2.98 2qx5A1 ASN 206 HB3 0.00 0.05 0.09 -0.04 2.79 2.89 2qx5A1 ASN 206 HD21 0.00 0.05 0.01 -0.04 7.03 7.05 2qx5A1 ASN 206 HD22 0.00 0.01 0.03 -0.04 7.74 7.74 2qx5A1 ILE 207 H 0.01 0.06 -0.13 -0.55 8.25 7.64 2qx5A1 ILE 207 HA 0.01 0.19 0.60 -0.75 4.18 4.22 2qx5A1 ILE 207 HB 0.01 -0.05 0.07 -0.04 1.89 1.89 2qx5A1 ILE 207 HG12 0.01 0.08 0.03 -0.04 1.49 1.57 2qx5A1 ILE 207 HG13 0.01 -0.10 0.05 -0.04 1.21 1.13 2qx5A1 ILE 207 HG23 0.01 0.02 -0.08 -0.04 0.93 0.85 2qx5A1 ILE 207 HD13 0.01 0.02 0.03 -0.04 0.88 0.90 2qx5A1 LEU 208 H 0.01 0.07 -0.16 -0.55 8.37 7.75 2qx5A1 LEU 208 HA 0.01 0.10 0.55 -0.75 4.35 4.25 2qx5A1 LEU 208 HB2 0.02 -0.03 0.09 -0.04 1.64 1.67 2qx5A1 LEU 208 HB3 0.01 0.13 0.06 -0.04 1.64 1.80 2qx5A1 LEU 208 HG 0.04 -0.02 -0.03 -0.04 1.64 1.59 2qx5A1 LEU 208 HD13 0.05 -0.01 0.03 -0.04 0.93 0.96 2qx5A1 LEU 208 HD23 0.03 0.04 -0.02 -0.04 0.89 0.90 2qx5A1 ARG 209 H 0.01 0.30 -0.08 -0.55 8.46 8.13 2qx5A1 ARG 209 HA 0.03 0.14 0.48 -0.75 4.34 4.24 2qx5A1 ARG 209 HB2 -0.01 0.16 0.18 -0.04 1.90 2.19 2qx5A1 ARG 209 HB3 0.01 -0.06 0.16 -0.04 1.80 1.88 2qx5A1 ARG 209 HG2 0.02 0.00 -0.04 -0.04 1.67 1.62 2qx5A1 ARG 209 HG3 0.07 -0.05 -0.27 -0.04 1.67 1.38 2qx5A1 ARG 209 HD2 -0.03 -0.01 0.04 -0.04 3.22 3.18 2qx5A1 ARG 209 HD3 -0.03 0.02 -0.02 -0.04 3.22 3.15 2qx5A1 GLU 210 H 0.02 0.27 -0.40 -0.55 8.60 7.94 2qx5A1 GLU 210 HA 0.02 0.07 0.42 -0.75 4.29 4.04 2qx5A1 GLU 210 HB2 -0.00 0.11 0.12 -0.04 2.09 2.27 2qx5A1 GLU 210 HB3 -0.01 -0.01 -0.00 -0.04 1.99 1.93 2qx5A1 GLU 210 HG2 0.01 0.14 0.12 -0.04 2.34 2.57 2qx5A1 GLU 210 HG3 0.00 -0.00 0.07 -0.04 2.34 2.37 2qx5A1 LYS 211 H -0.03 0.25 -0.24 -0.55 8.42 7.85 2qx5A1 LYS 211 HA -0.19 0.06 0.40 -0.75 4.32 3.84 2qx5A1 LYS 211 HB2 -0.10 0.09 0.15 -0.04 1.87 1.96 2qx5A1 LYS 211 HB3 -0.12 0.09 0.13 -0.04 1.79 1.85 2qx5A1 LYS 211 HG2 -0.95 -0.04 -0.14 -0.04 1.46 0.29 2qx5A1 LYS 211 HG3 -0.44 0.03 0.02 -0.04 1.46 1.03 2qx5A1 LYS 211 HD2 -0.08 -0.03 -0.01 -0.04 1.69 1.53 2qx5A1 LYS 211 HD3 -0.09 -0.05 -0.05 -0.04 1.68 1.45 2qx5A1 LYS 211 HE2 -0.02 0.04 0.01 -0.04 2.99 2.97 2qx5A1 LYS 211 HE3 -0.03 0.06 0.03 -0.04 2.99 3.02 2qx5A1 PHE 212 H 0.10 0.48 -0.20 -0.55 8.34 8.17 2qx5A1 PHE 212 HA -0.01 -0.02 0.41 -0.75 4.62 4.24 2qx5A1 PHE 212 HB2 -0.02 -0.05 0.11 -0.04 3.15 3.15 2qx5A1 PHE 212 HB3 -0.05 0.25 0.19 -0.04 3.06 3.40 2qx5A1 PHE 212 HD2 -0.09 0.05 -0.03 -0.04 7.28 7.16 2qx5A1 PHE 212 HE2 -1.18 0.02 -0.07 -0.04 7.38 6.11 2qx5A1 PHE 212 HZ -0.82 0.00 -0.05 -0.04 7.32 6.41 2qx5A1 GLU 213 H 0.07 0.46 -0.20 -0.55 8.60 8.38 2qx5A1 GLU 213 HA -0.33 -0.00 0.37 -0.75 4.29 3.57 2qx5A1 GLU 213 HB2 -0.01 0.11 0.18 -0.04 2.09 2.32 2qx5A1 GLU 213 HB3 -0.05 -0.03 0.03 -0.04 1.99 1.90 2qx5A1 GLU 213 HG2 0.05 -0.05 0.02 -0.04 2.34 2.32 2qx5A1 GLU 213 HG3 0.22 0.13 0.08 -0.04 2.34 2.73 2qx5A1 ASN 214 H -0.07 0.55 -0.12 -0.55 8.53 8.35 2qx5A1 ASN 214 HA -0.05 0.02 0.39 -0.75 4.76 4.37 2qx5A1 ASN 214 HB2 -0.05 0.08 0.17 -0.04 2.88 3.03 2qx5A1 ASN 214 HB3 0.01 -0.03 -0.01 -0.04 2.79 2.72 2qx5A1 ASN 214 HD21 -0.02 -0.05 -0.04 -0.04 7.03 6.87 2qx5A1 ASN 214 HD22 -0.05 -0.01 -0.15 -0.04 7.74 7.49 2qx5A1 TYR 215 H 0.02 0.61 -0.12 -0.55 8.29 8.25 2qx5A1 TYR 215 HA -0.28 0.02 0.53 -0.75 4.56 4.07 2qx5A1 TYR 215 HB2 -0.06 0.11 0.12 -0.04 3.06 3.19 2qx5A1 TYR 215 HB3 -0.39 -0.06 -0.05 -0.04 2.98 2.44 2qx5A1 TYR 215 HD2 -0.34 -0.04 -0.17 -0.04 7.15 6.57 2qx5A1 TYR 215 HE2 0.04 -0.04 -0.16 -0.04 6.85 6.65 2qx5A1 ALA 216 H -0.10 0.70 -0.07 -0.55 8.40 8.38 2qx5A1 ALA 216 HA 0.20 -0.01 0.43 -0.75 4.34 4.21 2qx5A1 ALA 216 HB3 -0.33 0.02 0.08 -0.04 1.41 1.15 2qx5A1 ARG 217 H -0.06 0.53 -0.23 -0.55 8.46 8.16 2qx5A1 ARG 217 HA 0.00 0.02 0.41 -0.75 4.34 4.02 2qx5A1 ARG 217 HB2 -0.07 0.04 0.09 -0.04 1.90 1.92 2qx5A1 ARG 217 HB3 -0.04 0.13 0.09 -0.04 1.80 1.93 2qx5A1 ARG 217 HG2 0.02 -0.02 -0.15 -0.04 1.67 1.48 2qx5A1 ARG 217 HG3 -0.02 -0.03 0.04 -0.04 1.67 1.62 2qx5A1 ARG 217 HD2 -0.05 -0.01 -0.02 -0.04 3.22 3.10 2qx5A1 ARG 217 HD3 -0.03 0.03 -0.02 -0.04 3.22 3.15 2qx5A1 ILE 218 H -0.06 0.36 -0.28 -0.55 8.25 7.73 2qx5A1 ILE 218 HA 0.03 0.03 0.48 -0.75 4.18 3.96 2qx5A1 ILE 218 HB -0.28 0.20 0.18 -0.04 1.89 1.94 2qx5A1 ILE 218 HG12 -0.28 -0.05 -0.00 -0.04 1.49 1.12 2qx5A1 ILE 218 HG13 -0.25 0.26 0.11 -0.04 1.21 1.29 2qx5A1 ILE 218 HG23 -0.29 -0.03 -0.13 -0.04 0.93 0.44 2qx5A1 ILE 218 HD13 -1.15 -0.03 -0.10 -0.04 0.88 -0.44 2qx5A1 VAL 219 H 0.07 0.54 -0.07 -0.55 8.24 8.22 2qx5A1 VAL 219 HA 0.15 -0.01 0.38 -0.75 4.13 3.90 2qx5A1 VAL 219 HB -0.16 0.09 0.10 -0.04 2.12 2.12 2qx5A1 VAL 219 HG13 -0.39 -0.01 -0.20 -0.04 0.97 0.33 2qx5A1 VAL 219 HG23 0.03 0.01 -0.02 -0.04 0.95 0.93 2qx5A1 PHE 220 H 0.14 0.56 -0.32 -0.55 8.34 8.16 2qx5A1 PHE 220 HA -0.08 0.00 0.40 -0.75 4.62 4.19 2qx5A1 PHE 220 HB2 -0.05 0.06 0.10 -0.04 3.15 3.23 2qx5A1 PHE 220 HB3 -0.06 0.18 0.17 -0.04 3.06 3.31 2qx5A1 PHE 220 HD2 -0.04 0.01 -0.08 -0.04 7.28 7.13 2qx5A1 PHE 220 HE2 -0.02 -0.00 -0.06 -0.04 7.38 7.26 2qx5A1 PHE 220 HZ -0.02 0.01 -0.05 -0.04 7.32 7.21 2qx5A1 GLN 221 H 0.05 0.55 -0.11 -0.55 8.47 8.41 2qx5A1 GLN 221 HA -0.23 0.02 0.45 -0.75 4.36 3.84 2qx5A1 GLN 221 HB2 -0.05 0.08 0.12 -0.04 2.15 2.26 2qx5A1 GLN 221 HB3 -0.16 -0.05 0.04 -0.04 2.02 1.81 2qx5A1 GLN 221 HG2 0.08 -0.04 0.02 -0.04 2.40 2.42 2qx5A1 GLN 221 HG3 0.12 0.28 0.11 -0.04 2.39 2.86 2qx5A1 GLN 221 HE21 0.12 -0.02 -0.02 -0.04 6.97 7.00 2qx5A1 GLN 221 HE22 0.13 -0.00 -0.01 -0.04 7.69 7.77 2qx5A1 PHE 222 H -0.18 0.50 -0.24 -0.55 8.34 7.86 2qx5A1 PHE 222 HA -0.94 -0.02 0.43 -0.75 4.62 3.33 2qx5A1 PHE 222 HB2 0.00 -0.04 0.04 -0.04 3.15 3.11 2qx5A1 PHE 222 HB3 -0.11 0.15 0.13 -0.04 3.06 3.19 2qx5A1 PHE 222 HD2 0.03 -0.03 0.01 -0.04 7.28 7.25 2qx5A1 PHE 222 HE2 0.09 0.03 -0.00 -0.04 7.38 7.46 2qx5A1 PHE 222 HZ 0.07 0.07 0.03 -0.04 7.32 7.44 2qx5A1 ASN 223 H -0.25 0.58 -0.10 -0.55 8.53 8.22 2qx5A1 ASN 223 HA -0.44 0.04 0.48 -0.75 4.76 4.09 2qx5A1 ASN 223 HB2 -0.31 0.11 0.14 -0.04 2.88 2.78 2qx5A1 ASN 223 HB3 -0.26 -0.03 -0.01 -0.04 2.79 2.45 2qx5A1 ASN 223 HD21 -0.10 0.27 0.04 -0.04 7.03 7.19 2qx5A1 ASN 223 HD22 -0.12 -0.08 -0.02 -0.04 7.74 7.48 2qx5A1 ASN 224 H -0.41 0.47 -0.21 -0.55 8.53 7.83 2qx5A1 ASN 224 HA -0.25 0.03 0.45 -0.75 4.76 4.23 2qx5A1 ASN 224 HB2 -0.31 0.18 0.16 -0.04 2.88 2.88 2qx5A1 ASN 224 HB3 -0.19 -0.05 -0.03 -0.04 2.79 2.48 2qx5A1 ASN 224 HD21 -0.27 -0.05 -0.07 -0.04 7.03 6.60 2qx5A1 ASN 224 HD22 -0.15 -0.03 -0.03 -0.04 7.74 7.49 2qx5A1 SER 225 H -0.30 0.42 -0.28 -0.55 8.46 7.75 2qx5A1 SER 225 HA -0.06 0.02 0.41 -0.75 4.49 4.10 2qx5A1 SER 225 HB2 -0.02 0.01 -0.13 -0.04 3.95 3.77 2qx5A1 SER 225 HB3 -0.10 0.08 0.08 -0.04 3.93 3.95 2qx5A1 ARG 226 H -0.25 0.63 -0.02 -0.55 8.46 8.26 2qx5A1 ARG 226 HA -0.08 0.03 0.39 -0.75 4.34 3.92 2qx5A1 ARG 226 HB2 -0.30 0.10 0.15 -0.04 1.90 1.81 2qx5A1 ARG 226 HB3 -0.19 -0.01 0.00 -0.04 1.80 1.57 2qx5A1 ARG 226 HG2 -0.36 -0.03 0.05 -0.04 1.67 1.30 2qx5A1 ARG 226 HG3 -0.81 0.22 0.10 -0.04 1.67 1.13 2qx5A1 ARG 226 HD2 -1.24 -0.08 -0.07 -0.04 3.22 1.79 2qx5A1 ARG 226 HD3 -0.64 -0.05 -0.07 -0.04 3.22 2.41 2qx5A1 GLN 227 H -0.16 0.37 -0.50 -0.55 8.47 7.63 2qx5A1 GLN 227 HA -0.10 0.06 0.35 -0.75 4.36 3.92 2qx5A1 GLN 227 HB2 -0.15 0.03 0.06 -0.04 2.15 2.05 2qx5A1 GLN 227 HB3 -0.14 0.05 0.08 -0.04 2.02 1.98 2qx5A1 GLN 227 HG2 -0.08 -0.00 -0.09 -0.04 2.40 2.18 2qx5A1 GLN 227 HG3 -0.09 -0.08 0.05 -0.04 2.39 2.22 2qx5A1 GLN 227 HE21 -0.06 0.36 0.14 -0.04 6.97 7.36 2qx5A1 GLN 227 HE22 -0.06 -0.08 0.04 -0.04 7.69 7.54 2qx5A1 ALA 228 H -0.09 0.48 -0.09 -0.55 8.40 8.16 2qx5A1 ALA 228 HA -0.04 0.07 0.66 -0.75 4.34 4.28 2qx5A1 ALA 228 HB3 -0.04 -0.04 0.11 -0.04 1.41 1.41 2qx5A1 ASN 229 H -0.05 0.14 -0.94 -0.55 8.53 7.14 2qx5A1 ASN 229 HA -0.01 0.07 0.30 -0.75 4.76 4.37 2qx5A1 ASN 229 HB2 -0.02 0.02 -0.14 -0.04 2.88 2.71 2qx5A1 ASN 229 HB3 -0.01 0.03 0.04 -0.04 2.79 2.82 2qx5A1 ASN 229 HD21 0.01 -0.06 0.05 -0.04 7.03 6.98 2qx5A1 ASN 229 HD22 0.00 -0.02 0.06 -0.04 7.74 7.74 2qx5A1 GLY 230 H 0.01 0.46 -0.13 -0.55 8.43 8.22 2qx5A1 GLY 230 HA2 0.03 0.20 0.81 -0.51 4.01 4.53 2qx5A1 GLY 230 HA3 0.03 -0.05 0.20 -0.51 4.01 3.68 2qx5A1 ASN 231 H 0.06 0.13 0.11 -0.55 8.53 8.29 2qx5A1 ASN 231 HA 0.09 0.15 0.63 -0.75 4.76 4.87 2qx5A1 ASN 231 HB2 0.06 -0.02 0.15 -0.04 2.88 3.02 2qx5A1 ASN 231 HB3 0.05 -0.02 -0.04 -0.04 2.79 2.74 2qx5A1 ASN 231 HD21 0.02 0.04 0.00 -0.04 7.03 7.05 2qx5A1 ASN 231 HD22 0.03 -0.02 0.05 -0.04 7.74 7.76 2qx5A1 PHE 232 H 0.18 0.33 0.19 -0.55 8.34 8.48 2qx5A1 PHE 232 HA 0.02 0.10 0.65 -0.75 4.62 4.64 2qx5A1 PHE 232 HB2 0.09 0.07 -0.28 -0.04 3.15 2.98 2qx5A1 PHE 232 HB3 0.16 0.01 -0.01 -0.04 3.06 3.18 2qx5A1 PHE 232 HD2 0.00 0.05 -0.07 -0.04 7.28 7.22 2qx5A1 PHE 232 HE2 -0.03 -0.00 -0.09 -0.04 7.38 7.22 2qx5A1 PHE 232 HZ -0.05 0.01 -0.05 -0.04 7.32 7.19 2qx5A1 ASP 233 H -0.70 0.23 0.01 -0.55 8.40 7.39 2qx5A1 ASP 233 HA -0.15 0.24 0.93 -0.75 4.63 4.90 2qx5A1 ASP 233 HB2 -0.13 0.10 -0.04 -0.04 2.71 2.60 2qx5A1 ASP 233 HB3 -0.24 -0.01 0.18 -0.04 2.70 2.59 2qx5A1 ILE 234 H -0.18 0.34 0.01 -0.55 8.25 7.86 2qx5A1 ILE 234 HA -0.27 0.08 0.30 -0.75 4.18 3.53 2qx5A1 ILE 234 HB -0.24 0.09 0.03 -0.04 1.89 1.72 2qx5A1 ILE 234 HG12 0.16 -0.05 -0.11 -0.04 1.49 1.45 2qx5A1 ILE 234 HG13 0.16 -0.01 -0.02 -0.04 1.21 1.30 2qx5A1 ILE 234 HG23 -0.07 0.03 -0.04 -0.04 0.93 0.82 2qx5A1 ILE 234 HD13 -0.03 0.02 -0.11 -0.04 0.88 0.72 2qx5A1 ALA 235 H -0.04 0.17 -0.12 -0.55 8.40 7.86 2qx5A1 ALA 235 HA -0.12 0.04 0.33 -0.75 4.34 3.84 2qx5A1 ALA 235 HB3 0.20 0.07 0.02 -0.04 1.41 1.66 2qx5A1 ASN 236 H -0.11 0.08 -0.33 -0.55 8.53 7.63 2qx5A1 ASN 236 HA -0.06 0.06 0.39 -0.75 4.76 4.39 2qx5A1 ASN 236 HB2 -0.10 -0.02 0.07 -0.04 2.88 2.80 2qx5A1 ASN 236 HB3 -0.20 0.17 0.09 -0.04 2.79 2.82 2qx5A1 ASN 236 HD21 -0.09 0.01 -0.07 -0.04 7.03 6.84 2qx5A1 ASN 236 HD22 -0.16 0.01 -0.13 -0.04 7.74 7.42 2qx5A1 GLU 237 H -0.28 0.38 -0.23 -0.55 8.60 7.92 2qx5A1 GLU 237 HA -0.23 0.04 0.42 -0.75 4.29 3.77 2qx5A1 GLU 237 HB2 -0.34 0.16 0.19 -0.04 2.09 2.06 2qx5A1 GLU 237 HB3 -0.35 -0.04 -0.00 -0.04 1.99 1.56 2qx5A1 GLU 237 HG2 -0.57 0.22 0.03 -0.04 2.34 1.97 2qx5A1 GLU 237 HG3 -0.27 -0.02 -0.03 -0.04 2.34 1.97 2qx5A1 PHE 238 H -0.33 0.50 -0.02 -0.55 8.34 7.94 2qx5A1 PHE 238 HA -0.44 0.02 0.43 -0.75 4.62 3.89 2qx5A1 PHE 238 HB2 -1.83 0.09 0.07 -0.04 3.15 1.43 2qx5A1 PHE 238 HB3 -1.22 -0.04 -0.07 -0.04 3.06 1.69 2qx5A1 PHE 238 HD2 -0.90 0.13 -0.03 -0.04 7.28 6.44 2qx5A1 PHE 238 HE2 -0.99 -0.02 -0.06 -0.04 7.38 6.28 2qx5A1 PHE 238 HZ -0.13 0.01 -0.03 -0.04 7.32 7.13 2qx5A1 ILE 239 H -0.19 0.61 -0.18 -0.55 8.25 7.93 2qx5A1 ILE 239 HA 0.03 -0.01 0.42 -0.75 4.18 3.86 2qx5A1 ILE 239 HB -0.03 0.15 0.16 -0.04 1.89 2.12 2qx5A1 ILE 239 HG12 0.13 0.02 -0.02 -0.04 1.49 1.57 2qx5A1 ILE 239 HG13 0.15 -0.09 -0.05 -0.04 1.21 1.18 2qx5A1 ILE 239 HG23 0.02 -0.01 -0.17 -0.04 0.93 0.74 2qx5A1 ILE 239 HD13 0.09 -0.01 -0.36 -0.04 0.88 0.57 2qx5A1 SER 240 H -0.11 0.48 -0.31 -0.55 8.46 7.97 2qx5A1 SER 240 HA -0.03 0.02 0.40 -0.75 4.49 4.12 2qx5A1 SER 240 HB2 -0.08 0.02 0.11 -0.04 3.95 3.96 2qx5A1 SER 240 HB3 -0.12 0.23 0.20 -0.04 3.93 4.20 2qx5A1 ILE 241 H -0.14 0.34 -0.14 -0.55 8.25 7.76 2qx5A1 ILE 241 HA -0.03 0.07 0.43 -0.75 4.18 3.90 2qx5A1 ILE 241 HB -0.16 0.02 0.12 -0.04 1.89 1.83 2qx5A1 ILE 241 HG12 -0.08 -0.01 -0.02 -0.04 1.49 1.34 2qx5A1 ILE 241 HG13 -0.20 0.15 0.02 -0.04 1.21 1.14 2qx5A1 ILE 241 HG23 0.09 -0.03 -0.09 -0.04 0.93 0.86 2qx5A1 ILE 241 HD13 -0.15 -0.03 -0.07 -0.04 0.88 0.59 2qx5A1 LEU 242 H -0.00 0.55 -0.25 -0.55 8.37 8.12 2qx5A1 LEU 242 HA 0.09 0.04 0.62 -0.75 4.35 4.35 2qx5A1 LEU 242 HB2 0.10 0.12 0.06 -0.04 1.64 1.87 2qx5A1 LEU 242 HB3 0.14 -0.06 0.04 -0.04 1.64 1.72 2qx5A1 LEU 242 HG 0.09 0.13 -0.04 -0.04 1.64 1.78 2qx5A1 LEU 242 HD13 0.29 -0.04 -0.24 -0.04 0.93 0.89 2qx5A1 LEU 242 HD23 0.24 -0.03 -0.08 -0.04 0.89 0.99 2qx5A1 SER 243 H 0.02 0.44 -0.14 -0.55 8.46 8.23 2qx5A1 SER 243 HA 0.05 0.02 0.40 -0.75 4.49 4.21 2qx5A1 SER 243 HB2 0.03 -0.05 0.07 -0.04 3.95 3.96 2qx5A1 SER 243 HB3 0.03 0.05 0.12 -0.04 3.93 4.09 2qx5A1 SER 244 H 0.03 0.14 -0.41 -0.55 8.46 7.66 2qx5A1 SER 244 HA 0.02 0.14 0.72 -0.75 4.49 4.63 2qx5A1 SER 244 HB2 0.01 0.05 -0.01 -0.04 3.95 3.97 2qx5A1 SER 244 HB3 0.01 -0.05 0.08 -0.04 3.93 3.93 2qx5A1 ALA 245 H 0.05 0.10 -0.44 -0.55 8.40 7.57 2qx5A1 ALA 245 HA 0.04 0.03 0.51 -0.75 4.34 4.17 2qx5A1 ALA 245 HB3 0.08 0.02 0.12 -0.04 1.41 1.59 2qx5A1 ASN 246 H 0.05 0.13 0.14 -0.55 8.53 8.30 2qx5A1 ASN 246 HA 0.04 0.14 0.57 -0.75 4.76 4.76 2qx5A1 ASN 246 HB2 0.03 -0.06 -0.03 -0.04 2.88 2.78 2qx5A1 ASN 246 HB3 0.03 0.20 -0.00 -0.04 2.79 2.97 2qx5A1 ASN 246 HD21 0.02 -0.03 -0.04 -0.04 7.03 6.94 2qx5A1 ASN 246 HD22 0.03 0.14 -0.15 -0.04 7.74 7.71 2qx5A1 GLY 247 H 0.04 0.31 0.16 -0.55 8.43 8.39 2qx5A1 GLY 247 HA2 0.02 0.11 0.35 -0.51 4.01 3.98 2qx5A1 GLY 247 HA3 0.03 0.13 0.82 -0.51 4.01 4.47 2qx5A1 THR 248 H -0.00 0.20 0.19 -0.55 8.28 8.12 2qx5A1 THR 248 HA 0.02 0.19 0.60 -0.75 4.39 4.44 2qx5A1 THR 248 HB -0.04 -0.04 0.21 -0.04 4.32 4.41 2qx5A1 THR 248 HG23 -0.03 0.02 -0.09 -0.04 1.22 1.08 2qx5A1 ARG 249 H -0.07 0.14 0.08 -0.55 8.46 8.05 2qx5A1 ARG 249 HA -0.25 0.11 0.39 -0.75 4.34 3.84 2qx5A1 ARG 249 HB2 -0.06 0.00 0.09 -0.04 1.90 1.89 2qx5A1 ARG 249 HB3 -0.24 0.04 -0.00 -0.04 1.80 1.56 2qx5A1 ARG 249 HG2 -0.24 -0.05 0.10 -0.04 1.67 1.45 2qx5A1 ARG 249 HG3 -0.40 0.13 0.05 -0.04 1.67 1.41 2qx5A1 ARG 249 HD2 -1.79 -0.01 0.01 -0.04 3.22 1.39 2qx5A1 ARG 249 HD3 -0.48 -0.05 -0.06 -0.04 3.22 2.59 2qx5A1 ASN 250 H 0.03 0.07 -0.39 -0.55 8.53 7.69 2qx5A1 ASN 250 HA 0.13 0.05 0.33 -0.75 4.76 4.52 2qx5A1 ASN 250 HB2 0.06 -0.01 -0.31 -0.04 2.88 2.59 2qx5A1 ASN 250 HB3 0.09 0.15 -0.13 -0.04 2.79 2.86 2qx5A1 ASN 250 HD21 0.07 0.03 0.01 -0.04 7.03 7.10 2qx5A1 ASN 250 HD22 0.05 0.06 -0.11 -0.04 7.74 7.70 2qx5A1 ALA 251 H 0.05 0.28 -0.43 -0.55 8.40 7.75 2qx5A1 ALA 251 HA 0.09 0.12 0.48 -0.75 4.34 4.27 2qx5A1 ALA 251 HB3 0.07 0.05 0.13 -0.04 1.41 1.61 2qx5A1 GLN 252 H 0.05 0.29 -0.34 -0.55 8.47 7.93 2qx5A1 GLN 252 HA 0.08 0.07 0.49 -0.75 4.36 4.24 2qx5A1 GLN 252 HB2 0.04 0.10 0.12 -0.04 2.15 2.37 2qx5A1 GLN 252 HB3 -0.00 0.09 0.20 -0.04 2.02 2.28 2qx5A1 GLN 252 HG2 0.12 -0.02 -0.16 -0.04 2.40 2.30 2qx5A1 GLN 252 HG3 0.05 -0.06 0.03 -0.04 2.39 2.37 2qx5A1 GLN 252 HE21 0.24 -0.01 -0.15 -0.04 6.97 7.01 2qx5A1 GLN 252 HE22 0.10 -0.16 -0.19 -0.04 7.69 7.40 2qx5A1 LEU 253 H 0.12 0.68 0.01 -0.55 8.37 8.64 2qx5A1 LEU 253 HA 0.10 -0.01 0.46 -0.75 4.35 4.15 2qx5A1 LEU 253 HB2 0.22 0.06 0.09 -0.04 1.64 1.98 2qx5A1 LEU 253 HB3 0.30 -0.03 -0.07 -0.04 1.64 1.81 2qx5A1 LEU 253 HG 0.27 0.08 0.01 -0.04 1.64 1.95 2qx5A1 LEU 253 HD13 0.30 -0.03 -0.14 -0.04 0.93 1.02 2qx5A1 LEU 253 HD23 0.17 -0.01 -0.07 -0.04 0.89 0.94 2qx5A1 LEU 254 H 0.17 0.67 -0.14 -0.55 8.37 8.52 2qx5A1 LEU 254 HA 0.26 -0.02 0.38 -0.75 4.35 4.21 2qx5A1 LEU 254 HB2 0.13 0.04 -0.01 -0.04 1.64 1.76 2qx5A1 LEU 254 HB3 0.13 0.10 0.09 -0.04 1.64 1.91 2qx5A1 LEU 254 HG 0.13 -0.03 -0.31 -0.04 1.64 1.38 2qx5A1 LEU 254 HD13 0.10 -0.03 0.01 -0.04 0.93 0.97 2qx5A1 LEU 254 HD23 0.09 0.02 -0.06 -0.04 0.89 0.89 2qx5A1 GLU 255 H 0.12 0.36 -0.47 -0.55 8.60 8.06 2qx5A1 GLU 255 HA 0.14 0.08 0.50 -0.75 4.29 4.26 2qx5A1 GLU 255 HB2 0.16 0.05 0.07 -0.04 2.09 2.33 2qx5A1 GLU 255 HB3 0.10 0.07 0.13 -0.04 1.99 2.26 2qx5A1 GLU 255 HG2 0.07 -0.05 -0.24 -0.04 2.34 2.08 2qx5A1 GLU 255 HG3 0.25 -0.01 0.02 -0.04 2.34 2.55 2qx5A1 SER 256 H 0.01 0.47 -0.10 -0.55 8.46 8.29 2qx5A1 SER 256 HA -0.17 0.00 0.40 -0.75 4.49 3.97 2qx5A1 SER 256 HB2 -0.22 0.10 0.11 -0.04 3.95 3.91 2qx5A1 SER 256 HB3 -0.29 -0.04 -0.05 -0.04 3.93 3.50 2qx5A1 TRP 257 H 0.10 0.61 -0.18 -0.55 7.97 7.95 2qx5A1 TRP 257 HA -0.08 -0.02 0.51 -0.75 4.62 4.28 2qx5A1 TRP 257 HB2 0.01 0.16 0.05 -0.04 3.23 3.41 2qx5A1 TRP 257 HB3 -0.01 0.01 -0.02 -0.04 3.23 3.17 2qx5A1 TRP 257 HD1 -0.01 0.08 -0.23 -0.04 7.22 7.02 2qx5A1 TRP 257 HE1 -0.27 -0.04 -0.12 -0.04 10.20 9.73 2qx5A1 TRP 257 HE3 -0.10 -0.06 0.05 -0.04 7.59 7.43 2qx5A1 TRP 257 HZ2 -0.85 -0.07 -0.49 -0.04 7.44 5.99 2qx5A1 TRP 257 HZ3 -0.19 -0.04 -0.08 -0.04 7.13 6.79 2qx5A1 TRP 257 HH2 -0.43 0.10 0.00 -0.04 7.19 6.82 2qx5A1 LYS 258 H 0.18 0.47 -0.18 -0.55 8.42 8.32 2qx5A1 LYS 258 HA 0.14 -0.03 0.51 -0.75 4.32 4.18 2qx5A1 LYS 258 HB2 0.16 0.12 0.20 -0.04 1.87 2.31 2qx5A1 LYS 258 HB3 0.25 -0.01 -0.04 -0.04 1.79 1.95 2qx5A1 LYS 258 HG2 0.13 -0.03 0.02 -0.04 1.46 1.55 2qx5A1 LYS 258 HG3 0.14 -0.02 0.03 -0.04 1.46 1.57 2qx5A1 LYS 258 HD2 0.15 0.01 -0.04 -0.04 1.69 1.77 2qx5A1 LYS 258 HD3 0.15 -0.02 -0.02 -0.04 1.68 1.76 2qx5A1 LYS 258 HE2 0.09 -0.02 -0.03 -0.04 2.99 2.99 2qx5A1 LYS 258 HE3 0.10 0.02 -0.04 -0.04 2.99 3.02 2qx5A1 ILE 259 H -0.10 0.54 -0.19 -0.55 8.25 7.95 2qx5A1 ILE 259 HA -0.47 0.05 0.45 -0.75 4.18 3.46 2qx5A1 ILE 259 HB -0.26 0.11 0.16 -0.04 1.89 1.86 2qx5A1 ILE 259 HG12 -1.30 0.00 -0.03 -0.04 1.49 0.12 2qx5A1 ILE 259 HG13 -0.67 0.07 -0.02 -0.04 1.21 0.55 2qx5A1 ILE 259 HG23 -0.25 -0.01 -0.24 -0.04 0.93 0.38 2qx5A1 ILE 259 HD13 -0.26 -0.04 -0.08 -0.04 0.88 0.46 2qx5A1 LEU 260 H -0.13 0.52 -0.06 -0.55 8.37 8.16 2qx5A1 LEU 260 HA -0.10 0.07 0.41 -0.75 4.35 3.97 2qx5A1 LEU 260 HB2 0.02 0.03 0.14 -0.04 1.64 1.78 2qx5A1 LEU 260 HB3 -0.06 -0.04 -0.06 -0.04 1.64 1.43 2qx5A1 LEU 260 HG -0.45 0.11 -0.06 -0.04 1.64 1.20 2qx5A1 LEU 260 HD13 -0.67 -0.02 -0.11 -0.04 0.93 0.08 2qx5A1 LEU 260 HD23 -0.24 -0.01 -0.11 -0.04 0.89 0.48 2qx5A1 GLU 261 H 0.10 0.85 -0.07 -0.55 8.60 8.93 2qx5A1 GLU 261 HA 0.06 -0.10 0.40 -0.75 4.29 3.89 2qx5A1 GLU 261 HB2 0.12 -0.00 0.02 -0.04 2.09 2.18 2qx5A1 GLU 261 HB3 0.09 0.13 0.11 -0.04 1.99 2.28 2qx5A1 GLU 261 HG2 0.03 -0.08 0.03 -0.04 2.34 2.27 2qx5A1 GLU 261 HG3 0.03 -0.08 -0.11 -0.04 2.34 2.14 2qx5A1 SER 262 H 0.06 0.60 -0.26 -0.55 8.46 8.31 2qx5A1 SER 262 HA 0.07 -0.00 0.33 -0.75 4.49 4.14 2qx5A1 SER 262 HB2 0.16 -0.08 0.14 -0.04 3.95 4.14 2qx5A1 SER 262 HB3 0.20 0.05 0.12 -0.04 3.93 4.26 2qx5A1 MET 263 H 0.02 0.23 -1.00 -0.55 8.47 7.18 2qx5A1 MET 263 HA 0.02 0.11 0.73 -0.75 4.52 4.64 2qx5A1 MET 263 HB2 -0.02 0.16 -0.10 -0.04 2.15 2.15 2qx5A1 MET 263 HB3 -0.04 0.14 0.05 -0.04 2.03 2.15 2qx5A1 MET 263 HG2 -0.03 -0.04 -0.00 -0.04 2.63 2.52 2qx5A1 MET 263 HG3 0.01 -0.04 0.01 -0.04 2.56 2.49 2qx5A1 MET 263 HE3 -0.03 0.01 -0.21 -0.04 2.10 1.83 2qx5A1 LYS 264 H 0.01 0.25 0.09 -0.55 8.42 8.21 2qx5A1 LYS 264 HA -0.01 0.06 0.48 -0.75 4.32 4.09 2qx5A1 LYS 264 HB2 0.01 0.06 0.14 -0.04 1.87 2.04 2qx5A1 LYS 264 HB3 0.00 -0.02 0.07 -0.04 1.79 1.81 2qx5A1 LYS 264 HG2 -0.01 0.02 0.05 -0.04 1.46 1.48 2qx5A1 LYS 264 HG3 0.01 0.15 0.09 -0.04 1.46 1.67 2qx5A1 LYS 264 HD2 -0.01 0.03 0.07 -0.04 1.69 1.74 2qx5A1 LYS 264 HD3 0.00 -0.20 0.03 -0.04 1.68 1.48 2qx5A1 LYS 264 HE2 -0.01 -0.23 0.05 -0.04 2.99 2.76 2qx5A1 LYS 264 HE3 0.02 0.08 0.20 -0.04 2.99 3.25 2qx5A1 SER 265 H -0.00 0.15 0.21 -0.55 8.46 8.27 2qx5A1 SER 265 HA 0.01 0.01 0.34 -0.75 4.49 4.09 2qx5A1 SER 265 HB2 0.01 -0.03 0.15 -0.04 3.95 4.04 2qx5A1 SER 265 HB3 0.01 -0.05 -0.02 -0.04 3.93 3.84 2qx5A1 LYS 266 H 0.00 0.20 -0.64 -0.55 8.42 7.43 2qx5A1 LYS 266 HA 0.01 0.08 0.79 -0.75 4.32 4.44 2qx5A1 LYS 266 HB2 0.02 0.12 -0.16 -0.04 1.87 1.81 2qx5A1 LYS 266 HB3 0.01 0.08 -0.09 -0.04 1.79 1.75 2qx5A1 LYS 266 HG2 0.02 0.03 0.02 -0.04 1.46 1.49 2qx5A1 LYS 266 HG3 0.02 -0.07 0.07 -0.04 1.46 1.43 2qx5A1 LYS 266 HD2 0.03 0.00 0.02 -0.04 1.69 1.71 2qx5A1 LYS 266 HD3 0.03 -0.08 0.01 -0.04 1.68 1.59 2qx5A1 LYS 266 HE2 0.03 -0.09 -0.01 -0.04 2.99 2.88 2qx5A1 LYS 266 HE3 0.03 0.11 -0.04 -0.04 2.99 3.05 2qx5A1 ASP 267 H 0.01 0.09 0.12 -0.55 8.40 8.07 2qx5A1 ASP 267 HA 0.00 0.01 0.47 -0.75 4.63 4.36 2qx5A1 ILE 268 H 0.00 0.09 0.19 -0.55 8.25 7.98 2qx5A1 ILE 268 HA 0.01 0.11 0.43 -0.75 4.18 3.97 2qx5A1 ILE 268 HB 0.00 -0.05 0.24 -0.04 1.89 2.03 2qx5A1 ILE 268 HG12 -0.01 0.08 0.08 -0.04 1.49 1.60 2qx5A1 ILE 268 HG13 -0.01 0.02 0.15 -0.04 1.21 1.33 2qx5A1 ILE 268 HG23 0.01 -0.02 -0.07 -0.04 0.93 0.81 2qx5A1 ILE 268 HD13 -0.01 0.01 0.10 -0.04 0.88 0.93 2qx5A1 ASN 269 H 0.02 0.25 0.08 -0.55 8.53 8.33 2qx5A1 ASN 269 HA 0.01 0.05 0.66 -0.75 4.76 4.71 2qx5A1 ASN 269 HB2 0.00 0.16 -0.35 -0.04 2.88 2.65 2qx5A1 ASN 269 HB3 0.01 0.03 0.08 -0.04 2.79 2.86 2qx5A1 ASN 269 HD21 -0.02 0.04 0.03 -0.04 7.03 7.04 2qx5A1 ASN 269 HD22 -0.01 0.07 -0.00 -0.04 7.74 7.75 2qx5A1 ILE 270 H 0.01 0.19 0.12 -0.55 8.25 8.03 2qx5A1 ILE 270 HA 0.04 0.12 0.23 -0.75 4.18 3.82 2qx5A1 ILE 270 HB -0.01 -0.08 0.14 -0.04 1.89 1.91 2qx5A1 ILE 270 HG12 0.11 0.07 0.04 -0.04 1.49 1.67 2qx5A1 ILE 270 HG13 0.05 -0.08 0.09 -0.04 1.21 1.24 2qx5A1 ILE 270 HG23 -0.03 0.06 -0.24 -0.04 0.93 0.69 2qx5A1 ILE 270 HD13 -0.02 0.02 0.07 -0.04 0.88 0.90 2qx5A1 VAL 271 H -0.01 0.04 -0.10 -0.55 8.24 7.62 2qx5A1 VAL 271 HA -0.01 0.13 0.51 -0.75 4.13 4.01 2qx5A1 VAL 271 HB -0.04 -0.02 0.11 -0.04 2.12 2.13 2qx5A1 VAL 271 HG13 -0.09 0.03 -0.02 -0.04 0.97 0.85 2qx5A1 VAL 271 HG23 -0.05 -0.02 0.06 -0.04 0.95 0.90 2qx5A1 GLU 272 H -0.00 0.08 -0.09 -0.55 8.60 8.04 2qx5A1 GLU 272 HA 0.01 0.08 0.43 -0.75 4.29 4.06 2qx5A1 GLU 272 HB2 0.01 0.07 0.12 -0.04 2.09 2.25 2qx5A1 GLU 272 HB3 0.01 0.02 0.05 -0.04 1.99 2.03 2qx5A1 VAL 273 H 0.04 0.50 -0.20 -0.55 8.24 8.02 2qx5A1 VAL 273 HA 0.07 0.06 0.51 -0.75 4.13 4.02 2qx5A1 VAL 273 HB 0.05 0.05 0.04 -0.04 2.12 2.22 2qx5A1 VAL 273 HG13 0.05 0.01 -0.16 -0.04 0.97 0.83 2qx5A1 VAL 273 HG23 0.03 0.00 0.02 -0.04 0.95 0.97 2qx5A1 GLY 274 H 0.07 0.42 -0.10 -0.55 8.43 8.26 2qx5A1 GLY 274 HA2 0.16 0.01 0.53 -0.51 4.01 4.20 2qx5A1 GLY 274 HA3 0.11 0.13 0.36 -0.51 4.01 4.10 2qx5A1 LYS 275 H 0.09 0.54 -0.04 -0.55 8.42 8.45 2qx5A1 LYS 275 HA 0.33 -0.00 0.50 -0.75 4.32 4.40 2qx5A1 LYS 275 HB2 0.06 0.12 0.17 -0.04 1.87 2.18 2qx5A1 LYS 275 HB3 0.16 -0.01 -0.02 -0.04 1.79 1.88 2qx5A1 LYS 275 HG2 -0.23 0.00 -0.02 -0.04 1.46 1.18 2qx5A1 LYS 275 HG3 -0.08 -0.08 0.00 -0.04 1.46 1.26 2qx5A1 LYS 275 HD2 -0.21 0.08 -0.38 -0.04 1.69 1.14 2qx5A1 LYS 275 HD3 -0.07 0.08 -0.13 -0.04 1.68 1.51 2qx5A1 LYS 275 HE2 0.00 -0.03 -0.00 -0.04 2.99 2.92 2qx5A1 LYS 275 HE3 -0.06 -0.00 -0.04 -0.04 2.99 2.85 2qx5A1 GLN 276 H 0.12 0.60 -0.05 -0.55 8.47 8.60 2qx5A1 GLN 276 HA 0.11 -0.02 0.42 -0.75 4.36 4.12 2qx5A1 GLN 276 HB2 0.11 0.10 0.19 -0.04 2.15 2.51 2qx5A1 GLN 276 HB3 0.09 -0.04 0.05 -0.04 2.02 2.08 2qx5A1 GLN 276 HG2 0.06 -0.09 0.10 -0.04 2.40 2.43 2qx5A1 GLN 276 HG3 0.07 0.26 0.21 -0.04 2.39 2.89 2qx5A1 GLN 276 HE21 0.03 -0.03 0.01 -0.04 6.97 6.94 2qx5A1 GLN 276 HE22 0.03 -0.04 0.04 -0.04 7.69 7.68 2qx5A1 TYR 277 H 0.24 0.52 -0.33 -0.55 8.29 8.17 2qx5A1 TYR 277 HA 0.08 0.01 0.41 -0.75 4.56 4.31 2qx5A1 TYR 277 HB2 0.07 0.11 0.12 -0.04 3.06 3.32 2qx5A1 TYR 277 HB3 0.10 0.09 0.17 -0.04 2.98 3.30 2qx5A1 TYR 277 HD2 0.10 0.06 -0.10 -0.04 7.15 7.17 2qx5A1 TYR 277 HE2 0.14 -0.04 -0.14 -0.04 6.85 6.76 2qx5A1 LEU 278 H 0.25 0.62 -0.07 -0.55 8.37 8.61 2qx5A1 LEU 278 HA -0.02 -0.06 0.35 -0.75 4.35 3.86 2qx5A1 LEU 278 HB2 0.36 0.13 0.16 -0.04 1.64 2.26 2qx5A1 LEU 278 HB3 0.17 -0.06 0.01 -0.04 1.64 1.72 2qx5A1 LEU 278 HG 0.40 0.12 0.05 -0.04 1.64 2.17 2qx5A1 LEU 278 HD13 0.34 -0.00 -0.10 -0.04 0.93 1.13 2qx5A1 LEU 278 HD23 0.34 -0.05 -0.00 -0.04 0.89 1.14 2qx5A1 GLU 279 H 0.10 0.71 -0.12 -0.55 8.60 8.74 2qx5A1 GLU 279 HA -0.15 0.23 0.56 -0.75 4.29 4.18 2qx5A1 GLU 279 HB2 0.08 0.09 0.06 -0.04 2.09 2.28 2qx5A1 GLU 279 HB3 0.03 0.03 -0.47 -0.04 1.99 1.53 2qx5A1 GLU 279 HG2 -0.08 -0.02 -0.27 -0.04 2.34 1.93 2qx5A1 GLU 279 HG3 0.16 -0.03 -0.03 -0.04 2.34 2.39 2qx5A1 GLN 280 H -0.02 0.69 -0.01 -0.55 8.47 8.59 2qx5A1 GLN 280 HA -0.03 -0.02 0.49 -0.75 4.36 4.05 2qx5A1 GLN 280 HB2 -0.01 -0.04 0.15 -0.04 2.15 2.21 2qx5A1 GLN 280 HB3 -0.07 0.25 0.25 -0.04 2.02 2.41 2qx5A1 GLN 280 HG2 -0.11 -0.02 -0.54 -0.04 2.40 1.69 2qx5A1 GLN 280 HG3 -0.02 -0.09 -0.02 -0.04 2.39 2.22 2qx5A1 GLN 280 HE21 0.10 0.01 0.00 -0.04 6.97 7.04 2qx5A1 GLN 280 HE22 0.04 -0.03 0.00 -0.04 7.69 7.65 2qx5A1 GLN 281 H -0.24 0.56 -0.29 -0.55 8.47 7.95 2qx5A1 GLN 281 HA -0.12 -0.02 0.33 -0.75 4.36 3.79 2qx5A1 GLN 281 HB2 -0.58 0.03 0.08 -0.04 2.15 1.63 2qx5A1 GLN 281 HB3 -0.24 0.12 0.15 -0.04 2.02 2.00 2qx5A1 PHE 282 H 0.04 0.55 -0.18 -0.55 8.34 8.20 2qx5A1 PHE 282 HA -0.04 -0.05 0.50 -0.75 4.62 4.29 2qx5A1 PHE 282 HB2 -0.18 -0.03 0.13 -0.04 3.15 3.04 2qx5A1 PHE 282 HB3 -0.20 0.27 0.25 -0.04 3.06 3.34 2qx5A1 PHE 282 HD2 -0.16 0.02 -0.11 -0.04 7.28 6.99 2qx5A1 PHE 282 HE2 -0.39 0.04 -0.08 -0.04 7.38 6.92 2qx5A1 PHE 282 HZ -0.69 -0.04 -0.06 -0.04 7.32 6.48 2qx5A1 LEU 283 H -0.02 0.67 -0.05 -0.55 8.37 8.43 2qx5A1 LEU 283 HA -0.30 -0.03 0.49 -0.75 4.35 3.75 2qx5A1 LEU 283 HB2 -0.04 0.23 0.22 -0.04 1.64 2.00 2qx5A1 LEU 283 HB3 -0.07 0.07 0.22 -0.04 1.64 1.82 2qx5A1 LEU 283 HG -0.09 -0.07 -0.07 -0.04 1.64 1.38 2qx5A1 LEU 283 HD13 -0.10 -0.03 0.04 -0.04 0.93 0.80 2qx5A1 LEU 283 HD23 -0.03 0.03 0.03 -0.04 0.89 0.87 2qx5A1 GLN 284 H -0.07 0.69 0.03 -0.55 8.47 8.58 2qx5A1 GLN 284 HA -0.06 -0.04 0.45 -0.75 4.36 3.95 2qx5A1 GLN 284 HB2 -0.01 0.13 0.11 -0.04 2.15 2.33 2qx5A1 GLN 284 HB3 -0.00 -0.07 0.06 -0.04 2.02 1.97 2qx5A1 GLN 284 HG2 -0.03 -0.08 0.07 -0.04 2.40 2.32 2qx5A1 GLN 284 HG3 -0.04 0.39 0.12 -0.04 2.39 2.82 2qx5A1 GLN 284 HE21 0.02 -0.01 -0.02 -0.04 6.97 6.92 2qx5A1 GLN 284 HE22 -0.00 -0.02 -0.00 -0.04 7.69 7.63 2qx5A1 TYR 285 H -0.01 0.47 -0.45 -0.55 8.29 7.76 2qx5A1 TYR 285 HA -0.07 -0.03 0.40 -0.75 4.56 4.10 2qx5A1 TYR 285 HB2 -0.05 -0.01 0.11 -0.04 3.06 3.07 2qx5A1 TYR 285 HB3 -0.23 0.18 0.24 -0.04 2.98 3.12 2qx5A1 TYR 285 HD2 -0.19 0.03 -0.01 -0.04 7.15 6.94 2qx5A1 TYR 285 HE2 0.14 -0.01 -0.04 -0.04 6.85 6.90 2qx5A1 THR 286 H -0.43 0.64 -0.05 -0.55 8.28 7.89 2qx5A1 THR 286 HA -0.54 0.01 0.51 -0.75 4.39 3.62 2qx5A1 THR 286 HB -0.31 -0.05 -0.05 -0.04 4.32 3.87 2qx5A1 THR 286 HG23 -1.13 0.03 -0.00 -0.04 1.22 0.08 2qx5A1 ASP 287 H -0.19 0.51 -0.26 -0.55 8.40 7.92 2qx5A1 ASP 287 HA -0.08 -0.04 0.49 -0.75 4.63 4.25 2qx5A1 ASP 287 HB2 -0.07 0.25 0.25 -0.04 2.71 3.09 2qx5A1 ASP 287 HB3 -0.04 -0.04 -0.00 -0.04 2.70 2.57 2qx5A1 ASN 288 H -0.09 0.61 0.01 -0.55 8.53 8.52 2qx5A1 ASN 288 HA -0.02 -0.01 0.31 -0.75 4.76 4.29 2qx5A1 ASN 288 HB2 -0.05 0.12 0.09 -0.04 2.88 3.01 2qx5A1 ASN 288 HB3 -0.00 -0.03 0.02 -0.04 2.79 2.73 2qx5A1 ASN 288 HD21 0.04 -0.05 -0.06 -0.04 7.03 6.92 2qx5A1 ASN 288 HD22 0.08 -0.03 -0.01 -0.04 7.74 7.75 2qx5A1 LEU 289 H -0.22 0.38 -0.46 -0.55 8.37 7.52 2qx5A1 LEU 289 HA -0.08 0.05 0.48 -0.75 4.35 4.04 2qx5A1 LEU 289 HB2 -0.32 0.13 0.17 -0.04 1.64 1.58 2qx5A1 LEU 289 HB3 -0.07 -0.02 -0.06 -0.04 1.64 1.46 2qx5A1 LEU 289 HG -0.41 0.04 0.02 -0.04 1.64 1.24 2qx5A1 LEU 289 HD13 0.07 -0.01 -0.01 -0.04 0.93 0.95 2qx5A1 LEU 289 HD23 -0.03 -0.01 0.04 -0.04 0.89 0.85 2qx5A1 TYR 290 H 0.05 0.58 -0.07 -0.55 8.29 8.30 2qx5A1 TYR 290 HA -0.05 0.00 0.54 -0.75 4.56 4.30 2qx5A1 TYR 290 HB2 -0.07 0.19 0.22 -0.04 3.06 3.35 2qx5A1 TYR 290 HB3 -0.06 0.04 0.17 -0.04 2.98 3.09 2qx5A1 TYR 290 HD2 -0.03 -0.00 -0.05 -0.04 7.15 7.03 2qx5A1 TYR 290 HE2 -0.02 -0.02 -0.05 -0.04 6.85 6.73 2qx5A1 LYS 291 H 0.07 0.76 -0.03 -0.55 8.42 8.67 2qx5A1 LYS 291 HA 0.01 -0.23 0.22 -0.75 4.32 3.56 2qx5A1 LYS 291 HB2 0.04 -0.03 -0.03 -0.04 1.87 1.81 2qx5A1 LYS 291 HB3 0.00 0.12 -0.04 -0.04 1.79 1.83 2qx5A1 LYS 292 H -0.05 0.13 -1.13 -0.55 8.42 6.82 2qx5A1 LYS 292 HA -0.04 0.16 0.90 -0.75 4.32 4.58 2qx5A1 ASN 293 H -0.10 0.65 0.25 -0.55 8.53 8.79 2qx5A1 ASN 293 HA -0.08 0.06 0.54 -0.75 4.76 4.52 2qx5A1 ASN 293 HB2 -0.16 -0.06 0.22 -0.04 2.88 2.85 2qx5A1 ASN 293 HB3 -0.11 -0.03 0.05 -0.04 2.79 2.66 2qx5A1 ASN 293 HD21 -0.04 -0.04 0.02 -0.04 7.03 6.93 2qx5A1 ASN 293 HD22 -0.04 -0.05 -0.07 -0.04 7.74 7.53 2qx5A1 MET 294 H -0.37 0.43 0.17 -0.55 8.47 8.15 2qx5A1 MET 294 HA -0.21 0.19 0.67 -0.75 4.52 4.41 2qx5A1 MET 294 HB2 -1.30 -0.06 0.02 -0.04 2.15 0.77 2qx5A1 MET 294 HB3 -0.43 -0.03 0.07 -0.04 2.03 1.59 2qx5A1 MET 294 HG2 -0.44 -0.02 -0.03 -0.04 2.63 2.09 2qx5A1 MET 294 HG3 -0.62 -0.06 -0.00 -0.04 2.56 1.84 2qx5A1 MET 294 HE3 -0.08 -0.01 0.00 -0.04 2.10 1.97 2qx5A1 ASN 295 H -0.16 0.15 -0.63 -0.55 8.53 7.34 2qx5A1 ASN 295 HA -0.06 0.20 0.15 -0.75 4.76 4.29 2qx5A1 GLU 296 H -0.03 -0.02 -0.36 -0.55 8.60 7.65 2qx5A1 GLU 296 HA 0.03 0.31 0.97 -0.75 4.29 4.84 2qx5A1 GLU 296 HB2 0.39 -0.19 0.06 -0.04 2.09 2.31 2qx5A1 GLU 296 HB3 0.15 -0.14 0.05 -0.04 1.99 2.01 2qx5A1 GLU 296 HG2 -0.01 0.29 -0.32 -0.04 2.34 2.26 2qx5A1 GLU 296 HG3 -0.09 0.01 -0.23 -0.04 2.34 2.00 2qx5A1 GLY 297 H 0.25 0.02 0.06 -0.55 8.43 8.21 2qx5A1 GLY 297 HA2 0.06 0.02 0.31 -0.51 4.01 3.90 2qx5A1 GLY 297 HA3 0.04 0.32 0.90 -0.51 4.01 4.75 2qx5A1 LEU 298 H 0.06 0.04 -0.04 -0.55 8.37 7.89 2qx5A1 LEU 298 HA -0.02 0.32 0.98 -0.75 4.35 4.87 2qx5A1 LEU 298 HB2 0.02 -0.02 -0.00 -0.04 1.64 1.60 2qx5A1 LEU 298 HB3 -0.00 -0.00 0.14 -0.04 1.64 1.73 2qx5A1 LEU 298 HG 0.01 0.01 -0.22 -0.04 1.64 1.40 2qx5A1 LEU 298 HD13 0.00 -0.00 -0.03 -0.04 0.93 0.86 2qx5A1 LEU 298 HD23 -0.01 0.08 -0.11 -0.04 0.89 0.81 2qx5A1 ALA 299 H -0.10 -0.05 -0.10 -0.55 8.40 7.61 2qx5A1 ALA 299 HA -0.07 0.13 0.58 -0.75 4.34 4.23 2qx5A1 ALA 299 HB3 -0.38 -0.01 0.03 -0.04 1.41 1.00 2qx5A1 THR 300 H -0.09 0.08 0.13 -0.55 8.28 7.85 2qx5A1 THR 300 HA -0.07 0.18 0.46 -0.75 4.39 4.21 2qx5A1 THR 300 HB -0.05 -0.00 0.09 -0.04 4.32 4.31 2qx5A1 THR 300 HG23 -0.04 0.05 0.07 -0.04 1.22 1.26 2qx5A1 ASN 301 H -0.07 0.22 0.13 -0.55 8.53 8.27 2qx5A1 ASN 301 HA -0.10 0.15 0.47 -0.75 4.76 4.52 2qx5A1 ASN 301 HB2 -0.04 -0.09 0.16 -0.04 2.88 2.86 2qx5A1 ASN 301 HB3 -0.04 0.07 -0.02 -0.04 2.79 2.75 2qx5A1 ASN 301 HD21 -0.03 0.08 0.02 -0.04 7.03 7.06 2qx5A1 ASN 301 HD22 -0.03 -0.05 0.04 -0.04 7.74 7.66 2qx5A1 VAL 302 H -0.03 0.13 -0.12 -0.55 8.24 7.67 2qx5A1 VAL 302 HA 0.00 0.09 0.26 -0.75 4.13 3.73 2qx5A1 VAL 302 HB -0.02 -0.03 -0.00 -0.04 2.12 2.03 2qx5A1 VAL 302 HG13 0.01 0.02 -0.17 -0.04 0.97 0.79 2qx5A1 VAL 302 HG23 0.00 0.02 0.01 -0.04 0.95 0.93 2qx5A1 ASN 303 H -0.07 0.12 -0.48 -0.55 8.53 7.54 2qx5A1 ASN 303 HA -0.01 0.09 0.63 -0.75 4.76 4.72 2qx5A1 ASN 303 HB2 -0.11 -0.03 0.09 -0.04 2.88 2.78 2qx5A1 ASN 303 HB3 -0.08 0.04 -0.02 -0.04 2.79 2.69 2qx5A1 ASN 303 HD21 -0.00 0.06 -0.01 -0.04 7.03 7.04 2qx5A1 ASN 303 HD22 -0.03 -0.10 0.04 -0.04 7.74 7.60 2qx5A1 LYS 304 H -0.20 0.57 -0.06 -0.55 8.42 8.17 2qx5A1 LYS 304 HA -0.30 0.01 0.43 -0.75 4.32 3.70 2qx5A1 LYS 304 HB2 -0.18 0.12 0.07 -0.04 1.87 1.83 2qx5A1 LYS 304 HB3 -0.19 0.04 -0.08 -0.04 1.79 1.53 2qx5A1 LYS 304 HG2 -0.59 -0.10 -0.06 -0.04 1.46 0.67 2qx5A1 LYS 304 HG3 -0.39 0.14 -0.18 -0.04 1.46 0.98 2qx5A1 LYS 304 HD2 -0.17 -0.06 -0.13 -0.04 1.69 1.30 2qx5A1 LYS 304 HD3 -0.17 0.00 -0.12 -0.04 1.68 1.35 2qx5A1 LYS 304 HE2 -0.20 0.22 -0.21 -0.04 2.99 2.76 2qx5A1 LYS 304 HE3 -0.11 0.00 -0.10 -0.04 2.99 2.73 2qx5A1 ILE 305 H -0.04 0.32 -0.44 -0.55 8.25 7.54 2qx5A1 ILE 305 HA 0.03 0.12 0.45 -0.75 4.18 4.02 2qx5A1 ILE 305 HB 0.04 0.04 0.00 -0.04 1.89 1.93 2qx5A1 ILE 305 HG12 -0.04 0.04 -0.09 -0.04 1.49 1.35 2qx5A1 ILE 305 HG13 -0.10 -0.01 -0.13 -0.04 1.21 0.93 2qx5A1 ILE 305 HG23 0.19 -0.00 -0.26 -0.04 0.93 0.81 2qx5A1 ILE 305 HD13 0.05 -0.01 -0.17 -0.04 0.88 0.71 2qx5A1 LYS 306 H 0.05 0.45 -0.02 -0.55 8.42 8.35 2qx5A1 LYS 306 HA 0.11 0.03 0.53 -0.75 4.32 4.24 2qx5A1 LYS 306 HB2 0.06 0.03 0.13 -0.04 1.87 2.05 2qx5A1 LYS 306 HB3 0.08 0.01 -0.03 -0.04 1.79 1.81 2qx5A1 LYS 306 HG2 0.08 -0.06 -0.00 -0.04 1.46 1.43 2qx5A1 LYS 306 HG3 0.05 0.32 0.10 -0.04 1.46 1.89 2qx5A1 LYS 306 HD2 0.04 -0.01 -0.05 -0.04 1.69 1.63 2qx5A1 LYS 306 HD3 0.06 0.01 -0.06 -0.04 1.68 1.65 2qx5A1 LYS 306 HE2 0.04 -0.02 -0.08 -0.04 2.99 2.89 2qx5A1 LYS 306 HE3 0.02 -0.06 -0.13 -0.04 2.99 2.79 2qx5A1 SER 307 H 0.09 0.53 -0.18 -0.55 8.46 8.35 2qx5A1 SER 307 HA 0.07 0.03 0.44 -0.75 4.49 4.28 2qx5A1 SER 307 HB2 0.25 -0.01 0.10 -0.04 3.95 4.26 2qx5A1 SER 307 HB3 0.23 0.14 0.11 -0.04 3.93 4.36 2qx5A1 PHE 308 H 0.18 0.26 -0.45 -0.55 8.34 7.78 2qx5A1 PHE 308 HA -0.05 0.06 0.50 -0.75 4.62 4.38 2qx5A1 PHE 308 HB2 -0.14 0.04 0.12 -0.04 3.15 3.13 2qx5A1 PHE 308 HB3 -0.08 0.09 0.21 -0.04 3.06 3.25 2qx5A1 PHE 308 HD2 -0.17 0.02 -0.08 -0.04 7.28 7.02 2qx5A1 PHE 308 HE2 -0.26 -0.01 -0.08 -0.04 7.38 6.98 2qx5A1 PHE 308 HZ 0.17 -0.02 -0.07 -0.04 7.32 7.36 2qx5A1 ILE 309 H 0.16 0.76 0.00 -0.55 8.25 8.63 2qx5A1 ILE 309 HA -0.21 0.01 0.28 -0.75 4.18 3.50 2qx5A1 ILE 309 HB 0.13 0.05 0.20 -0.04 1.89 2.23 2qx5A1 ILE 309 HG12 0.16 -0.04 -0.07 -0.04 1.49 1.50 2qx5A1 ILE 309 HG13 0.22 0.11 0.00 -0.04 1.21 1.50 2qx5A1 ILE 309 HG23 0.19 -0.02 -0.21 -0.04 0.93 0.85 2qx5A1 ILE 309 HD13 0.23 -0.02 -0.22 -0.04 0.88 0.83 2qx5A1 ASP 310 H 0.00 0.46 -0.58 -0.55 8.40 7.74 2qx5A1 ASP 310 HA 0.01 0.02 0.40 -0.75 4.63 4.30 2qx5A1 ASP 310 HB2 0.04 0.01 0.04 -0.04 2.71 2.76 2qx5A1 ASP 310 HB3 -0.01 0.09 0.09 -0.04 2.70 2.84 2qx5A1 THR 311 H -0.14 0.43 -0.25 -0.55 8.28 7.77 2qx5A1 THR 311 HA -0.10 0.11 0.81 -0.75 4.39 4.46 2qx5A1 THR 311 HB -0.08 -0.05 0.19 -0.04 4.32 4.34 2qx5A1 THR 311 HG23 -0.06 0.01 0.00 -0.04 1.22 1.14 2qx5A1 LYS 312 H -0.22 0.23 -0.39 -0.55 8.42 7.49 2qx5A1 LYS 312 HA -0.11 0.21 0.93 -0.75 4.32 4.60 2qx5A1 LYS 312 HB2 -0.74 0.04 -0.02 -0.04 1.87 1.12 2qx5A1 LYS 312 HB3 -0.20 -0.06 0.14 -0.04 1.79 1.63 2qx5A1 LYS 312 HG2 -0.44 0.01 -0.34 -0.04 1.46 0.65 2qx5A1 LYS 312 HG3 -1.12 -0.06 -0.08 -0.04 1.46 0.16 2qx5A1 LYS 312 HD2 0.03 -0.05 0.03 -0.04 1.69 1.65 2qx5A1 LYS 312 HD3 -0.04 0.09 0.06 -0.04 1.68 1.75 2qx5A1 LYS 312 HE2 0.09 0.02 -0.04 -0.04 2.99 3.03 2qx5A1 LYS 312 HE3 0.40 -0.04 -0.03 -0.04 2.99 3.28 2qx5A1 LEU 313 H -0.03 0.17 -0.16 -0.55 8.37 7.81 2qx5A1 LEU 313 HA 0.17 0.15 0.79 -0.75 4.35 4.71 2qx5A1 LEU 313 HB2 0.48 0.20 0.12 -0.04 1.64 2.39 2qx5A1 LEU 313 HB3 0.58 -0.18 0.24 -0.04 1.64 2.24 2qx5A1 LEU 313 HG 0.08 0.03 -0.28 -0.04 1.64 1.43 2qx5A1 LEU 313 HD13 0.15 -0.03 0.01 -0.04 0.93 1.01 2qx5A1 LEU 313 HD23 0.29 0.08 0.05 -0.04 0.89 1.27 2qx5A1 LYS 314 H -0.04 0.24 -0.06 -0.55 8.42 8.01 2qx5A1 LYS 314 HA -0.13 0.29 0.70 -0.75 4.32 4.42 2qx5A1 LYS 314 HB2 -0.19 0.14 0.05 -0.04 1.87 1.83 2qx5A1 LYS 314 HB3 -0.26 -0.19 -0.06 -0.04 1.79 1.23 2qx5A1 LYS 314 HG2 -0.87 0.07 -0.27 -0.04 1.46 0.35 2qx5A1 LYS 314 HG3 -0.42 0.05 -0.29 -0.04 1.46 0.77 2qx5A1 LYS 314 HD2 -0.36 0.09 -0.01 -0.04 1.69 1.37 2qx5A1 LYS 314 HD3 -0.48 -0.12 -0.11 -0.04 1.68 0.92 2qx5A1 LYS 314 HE2 -1.97 -0.04 -0.10 -0.04 2.99 0.84 2qx5A1 LYS 314 HE3 -0.99 0.01 -0.03 -0.04 2.99 1.94 2qx5A1 LYS 315 H -0.08 0.38 0.09 -0.55 8.42 8.26 2qx5A1 LYS 315 HA -0.02 0.22 0.50 -0.75 4.32 4.27 2qx5A1 LYS 315 HB2 -0.00 0.14 -0.00 -0.04 1.87 1.97 2qx5A1 LYS 315 HB3 -0.03 -0.16 0.10 -0.04 1.79 1.67 2qx5A1 LYS 315 HG2 0.00 0.01 0.05 -0.04 1.46 1.48 2qx5A1 LYS 315 HG3 -0.01 -0.02 0.19 -0.04 1.46 1.57 2qx5A1 LYS 315 HD2 0.00 0.04 0.04 -0.04 1.69 1.73 2qx5A1 LYS 315 HD3 0.02 0.01 -0.05 -0.04 1.68 1.62 2qx5A1 LYS 315 HE2 0.01 0.00 0.01 -0.04 2.99 2.98 2qx5A1 LYS 315 HE3 0.01 -0.02 0.03 -0.04 2.99 2.96 2qx5A1 ALA 316 H -0.08 0.20 -0.60 -0.55 8.40 7.37 2qx5A1 ALA 316 HA -0.07 0.09 0.35 -0.75 4.34 3.96 2qx5A1 ALA 316 HB3 -0.04 0.09 0.28 -0.04 1.41 1.70 2qx5A1 ASP 317 H -0.05 0.30 -0.76 -0.55 8.40 7.35 2qx5A1 ASP 317 HA -0.05 0.12 0.18 -0.75 4.63 4.12 2qx5A1 ASP 317 HB2 -0.04 -0.10 0.02 -0.04 2.71 2.55 2qx5A1 ASP 317 HB3 -0.03 0.05 0.10 -0.04 2.70 2.78 2qx5A1 LYS 318 H -0.12 0.23 -1.17 -0.55 8.42 6.81 2qx5A1 LYS 318 HA -0.24 0.02 0.20 -0.75 4.32 3.55 2qx5A1 SER 319 H -0.13 -0.14 -0.52 -0.55 8.46 7.13 2qx5A1 SER 319 HA -0.11 0.16 0.77 -0.75 4.49 4.56 2qx5A1 SER 319 HB2 0.02 0.09 -0.03 -0.04 3.95 3.99 2qx5A1 SER 319 HB3 -0.03 0.10 -0.08 -0.04 3.93 3.88 2qx5A1 TRP 320 H -0.01 0.14 0.08 -0.55 7.97 7.63 2qx5A1 TRP 320 HA 0.02 0.42 0.63 -0.75 4.62 4.94 2qx5A1 TRP 320 HB2 0.03 -0.05 0.05 -0.04 3.23 3.22 2qx5A1 TRP 320 HB3 0.04 -0.00 0.06 -0.04 3.23 3.29 2qx5A1 TRP 320 HD1 0.02 -0.03 0.05 -0.04 7.22 7.22 2qx5A1 TRP 320 HE1 0.02 -0.02 -0.05 -0.04 10.20 10.11 2qx5A1 TRP 320 HE3 0.03 0.15 0.18 -0.04 7.59 7.91 2qx5A1 TRP 320 HZ2 0.02 0.19 -0.12 -0.04 7.44 7.49 2qx5A1 TRP 320 HZ3 0.00 0.05 -0.01 -0.04 7.13 7.14 2qx5A1 TRP 320 HH2 0.01 -0.01 0.03 -0.04 7.19 7.18 2qx5A1 LYS 321 H 0.28 0.37 0.06 -0.55 8.42 8.58 2qx5A1 LYS 321 HA 0.10 0.10 0.37 -0.75 4.32 4.13 2qx5A1 LYS 321 HB2 0.14 0.03 -0.06 -0.04 1.87 1.94 2qx5A1 LYS 321 HB3 0.08 0.01 -0.02 -0.04 1.79 1.82 2qx5A1 LYS 321 HG2 0.04 -0.02 -0.35 -0.04 1.46 1.09 2qx5A1 LYS 321 HG3 0.08 -0.05 -0.70 -0.04 1.46 0.74 2qx5A1 LYS 321 HD2 0.02 0.18 -0.37 -0.04 1.69 1.47 2qx5A1 LYS 321 HD3 0.07 0.11 -0.31 -0.04 1.68 1.52 2qx5A1 LYS 321 HE2 0.06 -0.00 -0.09 -0.04 2.99 2.92 2qx5A1 LYS 321 HE3 0.03 -0.05 -0.11 -0.04 2.99 2.82 2qx5A1 ILE 322 H 0.24 0.08 -0.18 -0.55 8.25 7.85 2qx5A1 ILE 322 HA 0.08 0.18 0.94 -0.75 4.18 4.62 2qx5A1 ILE 322 HB 0.11 0.07 -0.10 -0.04 1.89 1.93 2qx5A1 ILE 322 HG12 0.02 0.04 -0.21 -0.04 1.49 1.31 2qx5A1 ILE 322 HG13 0.01 0.02 0.02 -0.04 1.21 1.22 2qx5A1 ILE 322 HG23 0.20 -0.03 0.04 -0.04 0.93 1.11 2qx5A1 ILE 322 HD13 -0.06 -0.01 -0.09 -0.04 0.88 0.69 2qx5A1 SER 323 H 0.05 0.17 0.08 -0.55 8.46 8.20 2qx5A1 SER 323 HA 0.06 0.04 0.38 -0.75 4.49 4.22 2qx5A1 SER 323 HB2 0.02 0.01 0.05 -0.04 3.95 3.99 2qx5A1 SER 323 HB3 0.02 -0.01 0.06 -0.04 3.93 3.96 2qx5A1 ASN 324 H 0.00 0.14 0.17 -0.55 8.53 8.29 2qx5A1 ASN 324 HA -0.02 0.04 0.29 -0.75 4.76 4.32 2qx5A1 ASN 324 HB2 -0.03 0.32 0.29 -0.04 2.88 3.41 2qx5A1 ASN 324 HB3 -0.04 -0.01 0.22 -0.04 2.79 2.92 2qx5A1 ASN 324 HD21 -0.02 -0.00 -0.11 -0.04 7.03 6.85 2qx5A1 ASN 324 HD22 -0.02 0.14 -0.26 -0.04 7.74 7.56 2qx5A1 LEU 325 H -0.08 0.12 -0.09 -0.55 8.37 7.77 2qx5A1 LEU 325 HA -0.04 -0.01 0.60 -0.75 4.35 4.14 2qx5A1 LEU 325 HB2 -0.47 -0.01 0.08 -0.04 1.64 1.20 2qx5A1 LEU 325 HB3 -0.41 -0.02 -0.08 -0.04 1.64 1.09 2qx5A1 LEU 325 HG -0.07 0.33 -0.04 -0.04 1.64 1.82 2qx5A1 LEU 325 HD13 -0.41 -0.03 0.05 -0.04 0.93 0.50 2qx5A1 LEU 325 HD23 0.07 -0.04 -0.04 -0.04 0.89 0.84 2qx5A1 THR 326 H 0.07 0.10 0.19 -0.55 8.28 8.09 2qx5A1 THR 326 HA 0.02 0.13 0.65 -0.75 4.39 4.44 2qx5A1 THR 326 HB 0.30 -0.20 0.16 -0.04 4.32 4.54 2qx5A1 THR 326 HG23 0.11 0.03 -0.05 -0.04 1.22 1.27 2qx5A1 VAL 327 H -0.02 0.24 0.20 -0.55 8.24 8.11 2qx5A1 VAL 327 HA -0.09 0.17 0.97 -0.75 4.13 4.42 2qx5A1 VAL 327 HB 0.02 -0.09 -0.17 -0.04 2.12 1.85 2qx5A1 VAL 327 HG13 -0.39 0.06 -0.37 -0.04 0.97 0.24 2qx5A1 VAL 327 HG23 0.03 0.01 -0.04 -0.04 0.95 0.91 2qx5A1 ILE 328 H 0.00 0.58 0.27 -0.55 8.25 8.55 2qx5A1 ILE 328 HA 0.02 0.15 0.75 -0.75 4.18 4.35 2qx5A1 ILE 328 HB -0.03 0.01 0.05 -0.04 1.89 1.89 2qx5A1 ILE 328 HG12 -0.02 0.00 0.02 -0.04 1.49 1.45 2qx5A1 ILE 328 HG13 0.00 0.08 0.17 -0.04 1.21 1.42 2qx5A1 ILE 328 HG23 -0.00 -0.01 -0.13 -0.04 0.93 0.75 2qx5A1 ILE 328 HD13 -0.03 -0.01 -0.40 -0.04 0.88 0.40 2qx5A1 ASN 329 H 0.03 0.21 0.14 -0.55 8.53 8.37 2qx5A1 ASN 329 HA 0.04 0.06 0.33 -0.75 4.76 4.44 2qx5A1 ASN 329 HB2 0.03 0.06 -0.22 -0.04 2.88 2.71 2qx5A1 ASN 329 HB3 0.04 0.04 0.20 -0.04 2.79 3.03 2qx5A1 ASN 329 HD21 0.01 0.02 0.00 -0.04 7.03 7.02 2qx5A1 ASN 329 HD22 0.02 0.01 -0.01 -0.04 7.74 7.72 2qx5A1 GLY 330 H 0.09 -0.06 -0.73 -0.55 8.43 7.18 2qx5A1 GLY 330 HA2 0.21 -0.02 0.19 -0.51 4.01 3.88 2qx5A1 GLY 330 HA3 0.13 0.15 0.55 -0.51 4.01 4.33 2qx5A1 VAL 331 H 0.10 0.77 0.03 -0.55 8.24 8.59 2qx5A1 VAL 331 HA 0.31 0.25 0.91 -0.75 4.13 4.85 2qx5A1 VAL 331 HB 0.10 -0.03 -0.07 -0.04 2.12 2.08 2qx5A1 VAL 331 HG13 0.13 0.02 -0.25 -0.04 0.97 0.84 2qx5A1 VAL 331 HG23 0.04 0.00 -0.06 -0.04 0.95 0.89 2qx5A1 PRO 332 HA -0.21 0.35 0.52 -0.51 4.44 4.59 2qx5A1 PRO 332 HB2 -0.25 -0.17 0.14 -0.04 2.28 1.96 2qx5A1 PRO 332 HB3 -0.78 0.11 0.07 -0.04 2.02 1.38 2qx5A1 PRO 332 HG2 -0.03 -0.11 0.15 -0.04 2.03 2.00 2qx5A1 PRO 332 HG3 -0.07 0.15 0.06 -0.04 2.03 2.13 2qx5A1 PRO 332 HD2 0.17 0.14 0.14 -0.04 3.68 4.09 2qx5A1 PRO 332 HD3 0.11 0.25 0.15 -0.04 3.65 4.12 2qx5A1 ILE 333 H -0.11 0.36 0.30 -0.55 8.25 8.25 2qx5A1 ILE 333 HA -0.10 0.06 0.13 -0.75 4.18 3.51 2qx5A1 ILE 333 HB -0.31 0.04 -0.03 -0.04 1.89 1.55 2qx5A1 ILE 333 HG12 -0.27 0.03 0.03 -0.04 1.49 1.24 2qx5A1 ILE 333 HG13 -1.01 -0.03 -0.12 -0.04 1.21 0.01 2qx5A1 ILE 333 HG23 -0.12 0.04 0.03 -0.04 0.93 0.84 2qx5A1 ILE 333 HD13 -0.44 0.03 -0.10 -0.04 0.88 0.32 2qx5A1 TRP 334 H 0.02 0.16 -0.09 -0.55 7.97 7.52 2qx5A1 TRP 334 HA 0.05 0.14 0.48 -0.75 4.62 4.53 2qx5A1 TRP 334 HB2 0.01 -0.05 0.02 -0.04 3.23 3.17 2qx5A1 TRP 334 HB3 0.05 0.02 -0.26 -0.04 3.23 3.00 2qx5A1 TRP 334 HD1 -0.03 -0.04 0.08 -0.04 7.22 7.20 2qx5A1 TRP 334 HE1 0.00 0.07 -0.01 -0.04 10.20 10.23 2qx5A1 TRP 334 HE3 0.02 -0.03 0.16 -0.04 7.59 7.70 2qx5A1 TRP 334 HZ2 0.08 0.04 -0.07 -0.04 7.44 7.44 2qx5A1 TRP 334 HZ3 -0.09 0.02 -1.02 -0.04 7.13 5.99 2qx5A1 TRP 334 HH2 0.10 -0.02 -0.17 -0.04 7.19 7.06 2qx5A1 ALA 335 H 0.02 0.13 -0.19 -0.55 8.40 7.81 2qx5A1 ALA 335 HA -0.67 0.07 0.53 -0.75 4.34 3.51 2qx5A1 ALA 335 HB3 -0.34 0.05 0.09 -0.04 1.41 1.17 2qx5A1 LEU 336 H 0.03 0.68 -0.09 -0.55 8.37 8.44 2qx5A1 LEU 336 HA 0.20 0.03 0.33 -0.75 4.35 4.15 2qx5A1 LEU 336 HB2 0.07 0.00 -0.06 -0.04 1.64 1.61 2qx5A1 LEU 336 HB3 0.02 0.11 -0.00 -0.04 1.64 1.73 2qx5A1 LEU 336 HG 0.07 -0.01 -0.31 -0.04 1.64 1.35 2qx5A1 LEU 336 HD13 0.10 -0.02 -0.07 -0.04 0.93 0.91 2qx5A1 LEU 336 HD23 0.02 -0.00 -0.12 -0.04 0.89 0.75 2qx5A1 ILE 337 H 0.09 0.48 -0.24 -0.55 8.25 8.03 2qx5A1 ILE 337 HA 0.13 -0.01 0.41 -0.75 4.18 3.96 2qx5A1 ILE 337 HB 0.18 -0.02 0.21 -0.04 1.89 2.22 2qx5A1 ILE 337 HG12 0.04 -0.06 0.01 -0.04 1.49 1.43 2qx5A1 ILE 337 HG13 -0.11 0.40 0.05 -0.04 1.21 1.50 2qx5A1 ILE 337 HG23 0.27 -0.01 -0.05 -0.04 0.93 1.10 2qx5A1 ILE 337 HD13 -0.24 -0.02 -0.14 -0.04 0.88 0.44 2qx5A1 PHE 338 H 0.28 0.57 -0.22 -0.55 8.34 8.42 2qx5A1 PHE 338 HA 0.08 0.02 0.36 -0.75 4.62 4.33 2qx5A1 PHE 338 HB2 0.14 0.02 0.13 -0.04 3.15 3.40 2qx5A1 PHE 338 HB3 -0.14 0.11 0.23 -0.04 3.06 3.22 2qx5A1 PHE 338 HD2 -0.71 0.01 -0.10 -0.04 7.28 6.43 2qx5A1 PHE 338 HE2 -0.10 0.03 -0.05 -0.04 7.38 7.22 2qx5A1 PHE 338 HZ 0.07 0.02 -0.04 -0.04 7.32 7.33 2qx5A1 TYR 339 H 0.19 0.56 -0.15 -0.55 8.29 8.34 2qx5A1 TYR 339 HA -0.31 0.07 0.46 -0.75 4.56 4.03 2qx5A1 TYR 339 HB2 0.19 0.05 0.02 -0.04 3.06 3.28 2qx5A1 TYR 339 HB3 0.25 -0.03 0.00 -0.04 2.98 3.16 2qx5A1 TYR 339 HD2 -0.11 0.04 -0.07 -0.04 7.15 6.97 2qx5A1 TYR 339 HE2 0.11 -0.04 -0.03 -0.04 6.85 6.86 2qx5A1 LEU 340 H 0.13 0.42 -0.38 -0.55 8.37 7.99 2qx5A1 LEU 340 HA 0.09 0.03 0.59 -0.75 4.35 4.30 2qx5A1 LEU 340 HB2 0.12 0.22 0.18 -0.04 1.64 2.13 2qx5A1 LEU 340 HB3 0.11 0.02 -0.01 -0.04 1.64 1.71 2qx5A1 LEU 340 HG 0.06 -0.11 -0.01 -0.04 1.64 1.54 2qx5A1 LEU 340 HD13 0.10 0.06 -0.10 -0.04 0.93 0.95 2qx5A1 LEU 340 HD23 0.07 -0.02 -0.30 -0.04 0.89 0.60 2qx5A1 LEU 341 H 0.07 0.56 -0.04 -0.55 8.37 8.41 2qx5A1 LEU 341 HA 0.17 -0.02 0.37 -0.75 4.35 4.11 2qx5A1 LEU 341 HB2 0.03 0.15 0.21 -0.04 1.64 1.98 2qx5A1 LEU 341 HB3 0.28 0.04 -0.07 -0.04 1.64 1.85 2qx5A1 LEU 341 HG 0.24 0.00 0.01 -0.04 1.64 1.86 2qx5A1 LEU 341 HD13 0.10 0.00 -0.04 -0.04 0.93 0.96 2qx5A1 LEU 341 HD23 0.35 -0.01 -0.04 -0.04 0.89 1.15 2qx5A1 ARG 342 H -0.48 0.70 -0.07 -0.55 8.46 8.05 2qx5A1 ARG 342 HA -1.87 0.05 0.30 -0.75 4.34 2.07 2qx5A1 ARG 342 HB2 -1.45 0.07 0.07 -0.04 1.90 0.55 2qx5A1 ARG 342 HB3 -0.72 0.00 0.05 -0.04 1.80 1.09 2qx5A1 ARG 342 HG2 -1.03 -0.05 -0.03 -0.04 1.67 0.52 2qx5A1 ARG 342 HG3 -1.41 0.01 -0.02 -0.04 1.67 0.21 2qx5A1 ARG 342 HD2 -2.91 0.04 0.00 -0.04 3.22 0.32 2qx5A1 ARG 342 HD3 -0.74 -0.05 -0.01 -0.04 3.22 2.39 2qx5A1 ALA 343 H -0.09 0.19 -1.00 -0.55 8.40 6.95 2qx5A1 ALA 343 HA 0.10 0.22 0.91 -0.75 4.34 4.81 2qx5A1 ALA 343 HB3 0.14 -0.02 0.09 -0.04 1.41 1.57 2qx5A1 GLY 344 H 0.01 0.68 -0.14 -0.55 8.43 8.43 2qx5A1 GLY 344 HA2 0.13 0.07 0.33 -0.51 4.01 4.03 2qx5A1 GLY 344 HA3 0.07 0.09 0.64 -0.51 4.01 4.30 2qx5A1 LEU 345 H 0.06 0.65 -0.07 -0.55 8.37 8.46 2qx5A1 LEU 345 HA 0.03 0.14 0.62 -0.75 4.35 4.39 2qx5A1 LEU 345 HB2 0.05 0.05 0.18 -0.04 1.64 1.87 2qx5A1 LEU 345 HB3 0.03 -0.20 0.10 -0.04 1.64 1.53 2qx5A1 LEU 345 HG 0.03 0.15 -0.21 -0.04 1.64 1.57 2qx5A1 LEU 345 HD13 0.01 -0.02 -0.03 -0.04 0.93 0.84 2qx5A1 LEU 345 HD23 0.00 0.02 -0.10 -0.04 0.89 0.77 2qx5A1 ILE 346 H 0.06 0.45 -0.02 -0.55 8.25 8.19 2qx5A1 ILE 346 HA 0.14 0.05 0.26 -0.75 4.18 3.88 2qx5A1 ILE 346 HB 0.02 0.02 0.03 -0.04 1.89 1.92 2qx5A1 ILE 346 HG12 0.19 -0.04 -0.10 -0.04 1.49 1.50 2qx5A1 ILE 346 HG13 0.09 0.10 -0.02 -0.04 1.21 1.34 2qx5A1 ILE 346 HG23 0.15 0.04 -0.02 -0.04 0.93 1.05 2qx5A1 ILE 346 HD13 0.08 0.03 0.01 -0.04 0.88 0.96 2qx5A1 LYS 347 H -0.00 0.13 -0.08 -0.55 8.42 7.92 2qx5A1 LYS 347 HA -0.07 0.15 0.39 -0.75 4.32 4.04 2qx5A1 LYS 347 HB2 -0.03 0.08 0.10 -0.04 1.87 1.99 2qx5A1 LYS 347 HB3 -0.02 -0.08 0.06 -0.04 1.79 1.71 2qx5A1 LYS 347 HG2 -0.03 -0.03 -0.19 -0.04 1.46 1.17 2qx5A1 LYS 347 HG3 -0.04 0.05 0.02 -0.04 1.46 1.45 2qx5A1 LYS 347 HD2 -0.02 0.05 0.01 -0.04 1.69 1.68 2qx5A1 LYS 347 HD3 -0.02 -0.04 -0.03 -0.04 1.68 1.56 2qx5A1 LYS 347 HE2 -0.03 -0.03 -0.04 -0.04 2.99 2.86 2qx5A1 LYS 347 HE3 -0.03 0.04 -0.01 -0.04 2.99 2.95 2qx5A1 GLU 348 H 0.00 0.11 -0.32 -0.55 8.60 7.85 2qx5A1 GLU 348 HA -0.01 0.06 0.41 -0.75 4.29 4.00 2qx5A1 GLU 348 HB2 0.02 0.13 0.08 -0.04 2.09 2.29 2qx5A1 GLU 348 HB3 0.02 -0.01 -0.03 -0.04 1.99 1.93 2qx5A1 GLU 348 HG2 -0.00 -0.08 0.01 -0.04 2.34 2.23 2qx5A1 GLU 348 HG3 -0.01 0.03 -0.01 -0.04 2.34 2.31 2qx5A1 ALA 349 H 0.06 0.54 -0.07 -0.55 8.40 8.38 2qx5A1 ALA 349 HA 0.11 -0.02 0.38 -0.75 4.34 4.06 2qx5A1 ALA 349 HB3 0.27 0.02 0.05 -0.04 1.41 1.72 2qx5A1 LEU 350 H -0.11 0.55 -0.36 -0.55 8.37 7.90 2qx5A1 LEU 350 HA -0.34 0.00 0.42 -0.75 4.35 3.68 2qx5A1 LEU 350 HB2 -0.48 0.14 0.07 -0.04 1.64 1.32 2qx5A1 LEU 350 HB3 -0.19 0.15 0.11 -0.04 1.64 1.66 2qx5A1 LEU 350 HG -0.19 -0.08 -0.14 -0.04 1.64 1.20 2qx5A1 LEU 350 HD13 -0.50 -0.00 -0.08 -0.04 0.93 0.30 2qx5A1 LEU 350 HD23 -0.20 0.02 -0.03 -0.04 0.89 0.64 2qx5A1 GLN 351 H -0.06 0.38 -0.16 -0.55 8.47 8.09 2qx5A1 GLN 351 HA -0.05 0.02 0.40 -0.75 4.36 3.98 2qx5A1 GLN 351 HB2 -0.02 0.09 0.17 -0.04 2.15 2.35 2qx5A1 GLN 351 HB3 -0.02 -0.07 0.03 -0.04 2.02 1.92 2qx5A1 GLN 351 HG2 -0.04 -0.04 0.04 -0.04 2.40 2.32 2qx5A1 GLN 351 HG3 -0.05 0.45 0.18 -0.04 2.39 2.93 2qx5A1 GLN 351 HE21 -0.02 -0.05 -0.06 -0.04 6.97 6.80 2qx5A1 GLN 351 HE22 -0.03 0.04 -0.05 -0.04 7.69 7.61 2qx5A1 VAL 352 H -0.00 0.52 -0.19 -0.55 8.24 8.02 2qx5A1 VAL 352 HA -0.02 -0.00 0.34 -0.75 4.13 3.69 2qx5A1 VAL 352 HB 0.01 0.15 0.08 -0.04 2.12 2.32 2qx5A1 VAL 352 HG13 -0.06 -0.01 -0.17 -0.04 0.97 0.68 2qx5A1 VAL 352 HG23 0.01 0.02 -0.06 -0.04 0.95 0.88 2qx5A1 LEU 353 H 0.02 0.46 -0.21 -0.55 8.37 8.09 2qx5A1 LEU 353 HA -0.09 -0.02 0.38 -0.75 4.35 3.87 2qx5A1 LEU 353 HB2 0.19 0.08 0.09 -0.04 1.64 1.96 2qx5A1 LEU 353 HB3 0.08 0.12 0.07 -0.04 1.64 1.86 2qx5A1 LEU 353 HG 0.11 -0.02 -0.12 -0.04 1.64 1.57 2qx5A1 LEU 353 HD13 -0.08 -0.02 -0.09 -0.04 0.93 0.70 2qx5A1 LEU 353 HD23 0.49 -0.01 -0.11 -0.04 0.89 1.22 2qx5A1 VAL 354 H -0.02 0.60 -0.14 -0.55 8.24 8.12 2qx5A1 VAL 354 HA -0.00 -0.01 0.36 -0.75 4.13 3.71 2qx5A1 VAL 354 HB -0.03 0.10 0.18 -0.04 2.12 2.33 2qx5A1 VAL 354 HG13 -0.02 -0.02 -0.13 -0.04 0.97 0.76 2qx5A1 VAL 354 HG23 -0.05 0.05 0.02 -0.04 0.95 0.93 2qx5A1 GLU 355 H -0.02 0.65 -0.11 -0.55 8.60 8.57 2qx5A1 GLU 355 HA -0.01 0.00 0.36 -0.75 4.29 3.89 2qx5A1 GLU 355 HB2 -0.02 -0.01 0.09 -0.04 2.09 2.12 2qx5A1 GLU 355 HB3 -0.03 0.11 0.14 -0.04 1.99 2.17 2qx5A1 GLU 355 HG2 -0.01 -0.04 -0.05 -0.04 2.34 2.19 2qx5A1 GLU 355 HG3 -0.02 -0.01 -0.31 -0.04 2.34 1.97 2qx5A1 ASN 356 H -0.04 0.46 -0.25 -0.55 8.53 8.15 2qx5A1 ASN 356 HA -0.02 0.08 0.60 -0.75 4.76 4.66 2qx5A1 ASN 356 HB2 -0.11 0.10 0.01 -0.04 2.88 2.85 2qx5A1 ASN 356 HB3 -0.07 -0.09 0.10 -0.04 2.79 2.70 2qx5A1 ASN 356 HD21 -0.07 -0.08 -0.03 -0.04 7.03 6.80 2qx5A1 ASN 356 HD22 -0.12 0.15 -0.03 -0.04 7.74 7.70 2qx5A1 LYS 357 H -0.01 0.50 -0.55 -0.55 8.42 7.80 2qx5A1 LYS 357 HA 0.03 0.01 0.22 -0.75 4.32 3.83 2qx5A1 LYS 357 HB2 0.02 0.07 0.16 -0.04 1.87 2.07 2qx5A1 LYS 357 HB3 0.01 0.03 0.10 -0.04 1.79 1.90 2qx5A1 ALA 358 H 0.01 0.04 -0.67 -0.55 8.40 7.23 2qx5A1 ALA 358 HA 0.03 0.10 0.24 -0.75 4.34 3.95 2qx5A1 ALA 358 HB3 0.01 0.01 0.02 -0.04 1.41 1.41 2qx5A1 ASN 359 H 0.01 0.20 0.02 -0.55 8.53 8.21 2qx5A1 ASN 359 HA 0.02 0.04 0.45 -0.75 4.76 4.51 2qx5A1 ASN 359 HB2 -0.00 0.06 0.07 -0.04 2.88 2.97 2qx5A1 ASN 359 HB3 0.01 -0.02 0.19 -0.04 2.79 2.93 2qx5A1 ASN 359 HD21 -0.01 -0.01 0.04 -0.04 7.03 7.01 2qx5A1 ASN 359 HD22 -0.02 0.00 0.07 -0.04 7.74 7.75 2qx5A1 ILE 360 H 0.04 0.27 -1.12 -0.55 8.25 6.90 2qx5A1 ILE 360 HA 0.09 0.08 -0.16 -0.75 4.18 3.44 2qx5A1 ILE 360 HB 0.15 -0.10 0.07 -0.04 1.89 1.97 2qx5A1 ILE 360 HG12 0.06 1.01 0.47 -0.04 1.49 3.00 2qx5A1 ILE 360 HG13 0.07 -0.10 0.13 -0.04 1.21 1.27 2qx5A1 ILE 360 HG23 0.05 -0.04 -0.28 -0.04 0.93 0.63 2qx5A1 ILE 360 HD13 0.11 -0.08 0.38 -0.04 0.88 1.25 2qx5A1 SER 366 HA 0.14 -0.09 0.26 -0.75 4.49 4.05 2qx5A1 SER 366 HB2 0.08 0.08 0.11 -0.04 3.95 4.18 2qx5A1 SER 366 HB3 0.08 -0.13 0.20 -0.04 3.93 4.04 2qx5A1 PHE 367 H 0.34 0.26 0.11 -0.55 8.34 8.51 2qx5A1 PHE 367 HA 0.01 0.13 0.70 -0.75 4.62 4.70 2qx5A1 PHE 367 HB2 -0.23 0.07 0.12 -0.04 3.15 3.07 2qx5A1 PHE 367 HB3 0.09 0.00 0.05 -0.04 3.06 3.16 2qx5A1 PHE 367 HD2 -0.30 0.02 -0.13 -0.04 7.28 6.84 2qx5A1 PHE 367 HE2 -0.27 0.04 -0.06 -0.04 7.38 7.05 2qx5A1 PHE 367 HZ -0.49 0.08 -0.05 -0.04 7.32 6.83 2qx5A1 LEU 368 H 0.20 0.14 -0.14 -0.55 8.37 8.03 2qx5A1 LEU 368 HA 0.10 0.10 0.43 -0.75 4.35 4.22 2qx5A1 LEU 368 HB2 0.17 0.04 0.02 -0.04 1.64 1.83 2qx5A1 LEU 368 HB3 0.11 0.00 0.04 -0.04 1.64 1.75 2qx5A1 LEU 368 HG 0.03 0.02 -0.25 -0.04 1.64 1.40 2qx5A1 LEU 368 HD13 0.04 -0.02 0.00 -0.04 0.93 0.91 2qx5A1 LEU 368 HD23 0.04 0.03 -0.10 -0.04 0.89 0.82 2qx5A1 THR 369 H 0.06 0.15 -0.35 -0.55 8.28 7.59 2qx5A1 THR 369 HA 0.01 0.07 0.42 -0.75 4.39 4.15 2qx5A1 THR 369 HB 0.06 0.25 0.12 -0.04 4.32 4.71 2qx5A1 THR 369 HG23 0.04 0.00 -0.11 -0.04 1.22 1.11 2qx5A1 TYR 370 H 0.05 0.20 -0.28 -0.55 8.29 7.71 2qx5A1 TYR 370 HA -0.05 0.09 0.47 -0.75 4.56 4.32 2qx5A1 TYR 370 HB2 -0.07 0.00 0.08 -0.04 3.06 3.02 2qx5A1 TYR 370 HB3 -0.31 0.05 0.09 -0.04 2.98 2.77 2qx5A1 TYR 370 HD2 -0.18 -0.05 -0.09 -0.04 7.15 6.79 2qx5A1 TYR 370 HE2 -0.06 0.10 -0.29 -0.04 6.85 6.55 2qx5A1 PHE 371 H -0.23 0.48 -0.17 -0.55 8.34 7.86 2qx5A1 PHE 371 HA -0.41 0.01 0.32 -0.75 4.62 3.79 2qx5A1 PHE 371 HB2 -0.74 0.10 0.09 -0.04 3.15 2.56 2qx5A1 PHE 371 HB3 -0.21 0.04 0.06 -0.04 3.06 2.91 2qx5A1 PHE 371 HD2 -0.03 -0.06 0.03 -0.04 7.28 7.18 2qx5A1 PHE 371 HE2 0.11 0.02 -0.12 -0.04 7.38 7.35 2qx5A1 PHE 371 HZ 0.10 -0.06 -0.09 -0.04 7.32 7.23 2qx5A1 LYS 372 H -0.06 0.41 -0.31 -0.55 8.42 7.90 2qx5A1 LYS 372 HA -0.19 0.01 0.39 -0.75 4.32 3.78 2qx5A1 LYS 372 HB2 -0.06 0.13 0.06 -0.04 1.87 1.96 2qx5A1 LYS 372 HB3 -0.08 -0.04 -0.01 -0.04 1.79 1.61 2qx5A1 LYS 372 HG2 -0.13 -0.08 0.01 -0.04 1.46 1.22 2qx5A1 LYS 372 HG3 -0.06 0.35 0.10 -0.04 1.46 1.81 2qx5A1 LYS 372 HD2 -0.03 -0.01 -0.01 -0.04 1.69 1.60 2qx5A1 LYS 372 HD3 -0.06 -0.03 -0.01 -0.04 1.68 1.54 2qx5A1 LYS 372 HE2 -0.05 -0.03 -0.03 -0.04 2.99 2.84 2qx5A1 LYS 372 HE3 -0.02 -0.01 -0.08 -0.04 2.99 2.84 2qx5A1 ALA 373 H -0.10 0.23 -0.30 -0.55 8.40 7.68 2qx5A1 ALA 373 HA -0.07 -0.03 0.50 -0.75 4.34 3.98 2qx5A1 ALA 373 HB3 -0.13 0.02 0.11 -0.04 1.41 1.37 2qx5A1 TYR 374 H -0.12 0.30 -0.36 -0.55 8.29 7.55 2qx5A1 TYR 374 HA -0.12 0.16 0.71 -0.75 4.56 4.56 2qx5A1 TYR 374 HB2 -0.30 0.01 -0.09 -0.04 3.06 2.63 2qx5A1 TYR 374 HB3 -0.48 0.00 -0.01 -0.04 2.98 2.45 2qx5A1 TYR 374 HD2 0.05 0.03 0.04 -0.04 7.15 7.22 2qx5A1 TYR 374 HE2 0.06 0.01 0.02 -0.04 6.85 6.89 2qx5A1 ASP 405 HA -0.11 0.11 0.22 -0.75 4.63 4.10 2qx5A1 ASP 405 HB2 -0.02 0.10 -0.04 -0.04 2.71 2.71 2qx5A1 ASP 405 HB3 -0.02 0.13 0.26 -0.04 2.70 3.03 2qx5A1 PRO 406 HA -0.20 0.09 0.22 -0.51 4.44 4.04 2qx5A1 PRO 406 HB2 -0.36 0.02 -0.09 -0.04 2.28 1.81 2qx5A1 PRO 406 HB3 -0.17 0.07 0.07 -0.04 2.02 1.94 2qx5A1 PRO 406 HG2 -0.12 -0.07 -0.03 -0.04 2.03 1.77 2qx5A1 PRO 406 HG3 -0.09 0.13 -0.04 -0.04 2.03 2.00 2qx5A1 PRO 406 HD2 -0.01 0.05 -0.06 -0.04 3.68 3.62 2qx5A1 PRO 406 HD3 -0.07 0.29 0.10 -0.04 3.65 3.92 2qx5A1 TYR 407 H 0.00 0.10 -0.33 -0.55 8.29 7.52 2qx5A1 TYR 407 HA -0.29 0.13 0.47 -0.75 4.56 4.11 2qx5A1 TYR 407 HB2 0.01 -0.09 -0.11 -0.04 3.06 2.83 2qx5A1 TYR 407 HB3 0.03 0.12 -0.40 -0.04 2.98 2.69 2qx5A1 TYR 407 HD2 -0.46 -0.01 -0.00 -0.04 7.15 6.63 2qx5A1 TYR 407 HE2 -0.26 0.07 -0.00 -0.04 6.85 6.62 2qx5A1 ARG 408 H -0.17 0.22 -0.13 -0.55 8.46 7.83 2qx5A1 ARG 408 HA -0.70 -0.01 0.64 -0.75 4.34 3.52 2qx5A1 ARG 408 HB2 -1.63 -0.15 0.15 -0.04 1.90 0.23 2qx5A1 ARG 408 HB3 -0.71 0.36 0.14 -0.04 1.80 1.55 2qx5A1 ARG 408 HG2 -1.31 -0.06 0.05 -0.04 1.67 0.31 2qx5A1 ARG 408 HG3 -3.50 -0.07 0.05 -0.04 1.67 -1.89 2qx5A1 ARG 408 HD2 -0.58 -0.02 0.00 -0.04 3.22 2.58 2qx5A1 ARG 408 HD3 -0.61 0.16 -0.04 -0.04 3.22 2.68 2qx5A1 LEU 409 H -0.30 0.48 -0.27 -0.55 8.37 7.74 2qx5A1 LEU 409 HA -0.31 0.03 0.48 -0.75 4.35 3.80 2qx5A1 LEU 409 HB2 -0.24 -0.02 -0.04 -0.04 1.64 1.31 2qx5A1 LEU 409 HB3 -0.21 0.24 0.09 -0.04 1.64 1.72 2qx5A1 LEU 409 HG -0.16 0.03 -0.16 -0.04 1.64 1.31 2qx5A1 LEU 409 HD13 -0.19 -0.01 -0.01 -0.04 0.93 0.68 2qx5A1 LEU 409 HD23 -0.14 -0.01 -0.04 -0.04 0.89 0.66 2qx5A1 ALA 410 H -0.18 0.28 -0.24 -0.55 8.40 7.72 2qx5A1 ALA 410 HA -0.07 0.09 0.34 -0.75 4.34 3.95 2qx5A1 ALA 410 HB3 -0.13 0.03 0.09 -0.04 1.41 1.36 2qx5A1 VAL 411 H -0.00 0.44 -0.21 -0.55 8.24 7.92 2qx5A1 VAL 411 HA 0.13 0.07 0.25 -0.75 4.13 3.82 2qx5A1 VAL 411 HB 0.00 0.03 -0.80 -0.04 2.12 1.32 2qx5A1 VAL 411 HG13 0.07 -0.01 0.22 -0.04 0.97 1.22 2qx5A1 VAL 411 HG23 0.36 0.04 -0.02 -0.04 0.95 1.28 2qx5A1 TYR 412 H -0.12 0.43 -0.16 -0.55 8.29 7.89 2qx5A1 TYR 412 HA -0.22 -0.00 0.50 -0.75 4.56 4.08 2qx5A1 TYR 412 HB2 -0.38 0.17 0.16 -0.04 3.06 2.97 2qx5A1 TYR 412 HB3 -0.22 -0.00 -0.07 -0.04 2.98 2.64 2qx5A1 TYR 412 HD2 -0.56 0.10 0.11 -0.04 7.15 6.75 2qx5A1 TYR 412 HE2 -0.37 -0.02 -0.00 -0.04 6.85 6.41 2qx5A1 LYS 413 H -0.04 0.47 -0.29 -0.55 8.42 8.01 2qx5A1 LYS 413 HA -0.03 -0.08 0.36 -0.75 4.32 3.81 2qx5A1 LYS 413 HB2 -0.08 -0.01 0.07 -0.04 1.87 1.80 2qx5A1 LYS 413 HB3 -0.06 0.06 0.13 -0.04 1.79 1.88 2qx5A1 LYS 413 HG2 -0.09 0.00 -0.31 -0.04 1.46 1.02 2qx5A1 LYS 413 HG3 -0.08 0.21 -0.03 -0.04 1.46 1.52 2qx5A1 LYS 413 HD2 -0.08 -0.11 -0.11 -0.04 1.69 1.34 2qx5A1 LYS 413 HD3 -0.12 0.08 -0.15 -0.04 1.68 1.45 2qx5A1 LYS 413 HE2 -0.10 -0.10 -0.09 -0.04 2.99 2.66 2qx5A1 LYS 413 HE3 -0.09 0.02 -0.13 -0.04 2.99 2.75 2qx5A1 LEU 414 H -0.02 0.59 -0.15 -0.55 8.37 8.24 2qx5A1 LEU 414 HA -0.10 0.10 0.37 -0.75 4.35 3.96 2qx5A1 LEU 414 HB2 -0.01 -0.06 0.09 -0.04 1.64 1.63 2qx5A1 LEU 414 HB3 -0.13 -0.01 -0.03 -0.04 1.64 1.43 2qx5A1 LEU 414 HG 0.05 0.37 0.09 -0.04 1.64 2.11 2qx5A1 LEU 414 HD13 0.29 -0.05 -0.10 -0.04 0.93 1.03 2qx5A1 LEU 414 HD23 -0.15 -0.01 -0.05 -0.04 0.89 0.65 2qx5A1 ILE 415 H -0.06 0.61 -0.01 -0.55 8.25 8.24 2qx5A1 ILE 415 HA -0.58 0.07 0.47 -0.75 4.18 3.38 2qx5A1 ILE 415 HB 0.16 -0.04 0.12 -0.04 1.89 2.10 2qx5A1 ILE 415 HG12 -0.11 0.27 0.14 -0.04 1.49 1.75 2qx5A1 ILE 415 HG13 -0.37 -0.13 0.01 -0.04 1.21 0.69 2qx5A1 ILE 415 HG23 -0.42 -0.03 -0.10 -0.04 0.93 0.33 2qx5A1 ILE 415 HD13 -0.49 -0.02 -0.04 -0.04 0.88 0.29 2qx5A1 GLY 416 H 0.06 0.65 0.02 -0.55 8.43 8.61 2qx5A1 GLY 416 HA2 -0.11 -0.03 0.40 -0.51 4.01 3.76 2qx5A1 GLY 416 HA3 -0.02 -0.07 0.28 -0.51 4.01 3.69 2qx5A1 ARG 417 H -0.03 0.31 -0.54 -0.55 8.46 7.65 2qx5A1 ARG 417 HA -0.05 0.10 0.28 -0.75 4.34 3.92 2qx5A1 ARG 417 HB2 0.03 0.08 -0.27 -0.04 1.90 1.70 2qx5A1 ARG 417 HB3 0.01 0.00 0.31 -0.04 1.80 2.08 2qx5A1 ARG 417 HG2 -0.00 -0.12 0.06 -0.04 1.67 1.56 2qx5A1 ARG 417 HG3 -0.03 -0.02 0.06 -0.04 1.67 1.64 2qx5A1 ARG 417 HD2 0.03 -0.10 0.00 -0.04 3.22 3.11 2qx5A1 ARG 417 HD3 0.01 0.10 -0.21 -0.04 3.22 3.07 2qx5A1 CYS 418 H -0.04 0.17 -0.08 -0.55 8.50 8.00 2qx5A1 CYS 418 HA -0.04 0.18 0.80 -0.75 4.58 4.77 2qx5A1 CYS 418 HB2 -0.04 -0.10 -0.02 -0.04 2.97 2.77 2qx5A1 CYS 418 HB3 -0.04 0.06 -0.07 -0.04 2.97 2.88 2qx5A1 ASP 419 H -0.05 0.11 0.09 -0.55 8.40 8.01 2qx5A1 ASP 419 HA -0.06 -0.05 0.31 -0.75 4.63 4.08 2qx5A1 ASP 419 HB2 -0.07 -0.04 -0.13 -0.04 2.71 2.44 2qx5A1 ASP 419 HB3 -0.08 0.28 0.00 -0.04 2.70 2.87 2qx5A1 LEU 420 H -0.06 0.13 -0.17 -0.55 8.37 7.72 2qx5A1 LEU 420 HA -0.14 0.22 -0.02 -0.75 4.35 3.65 2qx5A1 LEU 420 HB2 -0.06 -0.06 -0.14 -0.04 1.64 1.34 2qx5A1 LEU 420 HB3 -0.13 -0.02 -0.15 -0.04 1.64 1.30 2qx5A1 LEU 420 HG -0.08 0.09 -0.34 -0.04 1.64 1.27 2qx5A1 LEU 420 HD13 -0.04 0.04 -0.11 -0.04 0.93 0.79 2qx5A1 LEU 420 HD23 0.01 0.00 -0.45 -0.04 0.89 0.41 2qx5A1 SER 421 H -0.06 -0.01 -0.43 -0.55 8.46 7.42 2qx5A1 SER 421 HA -0.06 0.06 0.42 -0.75 4.49 4.16 2qx5A1 SER 421 HB2 -0.04 -0.01 -0.05 -0.04 3.95 3.81 2qx5A1 SER 421 HB3 -0.03 0.00 0.01 -0.04 3.93 3.87 2qx5A1 ARG 422 H -0.08 0.43 -0.45 -0.55 8.46 7.81 2qx5A1 ARG 422 HA -0.04 0.08 0.80 -0.75 4.34 4.42 2qx5A1 LYS 423 H -0.10 0.23 -0.21 -0.55 8.42 7.78 2qx5A1 LYS 423 HA -0.25 0.14 0.23 -0.75 4.32 3.69 2qx5A1 LYS 423 HB2 -0.14 -0.06 0.02 -0.04 1.87 1.65 2qx5A1 LYS 423 HB3 -0.54 -0.05 -0.06 -0.04 1.79 1.10 2qx5A1 LYS 423 HG2 -0.72 -0.01 -0.04 -0.04 1.46 0.65 2qx5A1 LYS 423 HG3 -0.38 0.27 -0.02 -0.04 1.46 1.29 2qx5A1 LYS 423 HD2 -0.28 -0.09 -0.04 -0.04 1.69 1.24 2qx5A1 LYS 423 HD3 -1.00 -0.06 -0.05 -0.04 1.68 0.53 2qx5A1 LYS 423 HE2 -0.20 0.19 0.02 -0.04 2.99 2.97 2qx5A1 LYS 423 HE3 -0.10 -0.02 0.00 -0.04 2.99 2.83 2qx5A1 ASN 424 H -0.02 0.04 -0.36 -0.55 8.53 7.64 2qx5A1 ASN 424 HA 0.04 0.16 0.79 -0.75 4.76 4.99 2qx5A1 ASN 424 HB2 0.10 -0.01 0.03 -0.04 2.88 2.96 2qx5A1 ASN 424 HB3 0.14 -0.03 -0.09 -0.04 2.79 2.77 2qx5A1 ASN 424 HD21 0.57 0.01 -0.08 -0.04 7.03 7.49 2qx5A1 ASN 424 HD22 0.22 -0.01 -0.05 -0.04 7.74 7.85 2qx5A1 ILE 425 H 0.03 0.20 -0.04 -0.55 8.25 7.88 2qx5A1 ILE 425 HA -0.04 0.17 0.67 -0.75 4.18 4.22 2qx5A1 ILE 425 HB -0.12 -0.10 0.06 -0.04 1.89 1.69 2qx5A1 ILE 425 HG12 -0.04 0.09 -0.04 -0.04 1.49 1.46 2qx5A1 ILE 425 HG13 -0.06 -0.10 0.08 -0.04 1.21 1.09 2qx5A1 ILE 425 HG23 -0.09 0.04 -0.21 -0.04 0.93 0.63 2qx5A1 ILE 425 HD13 -0.08 0.02 -0.06 -0.04 0.88 0.72 2qx5A1 PRO 426 HA 0.05 0.06 0.20 -0.51 4.44 4.25 2qx5A1 PRO 426 HB2 -0.01 0.03 -0.02 -0.04 2.28 2.24 2qx5A1 PRO 426 HB3 0.02 0.07 0.02 -0.04 2.02 2.08 2qx5A1 PRO 426 HG2 0.01 0.07 -0.02 -0.04 2.03 2.04 2qx5A1 PRO 426 HG3 0.05 0.03 -0.06 -0.04 2.03 2.00 2qx5A1 PRO 426 HD2 -0.03 0.10 0.04 -0.04 3.68 3.75 2qx5A1 PRO 426 HD3 0.00 0.30 -0.44 -0.04 3.65 3.48 2qx5A1 ALA 427 H -0.07 0.12 -0.15 -0.55 8.40 7.75 2qx5A1 ALA 427 HA -0.04 0.09 0.31 -0.75 4.34 3.94 2qx5A1 ALA 427 HB3 -0.12 -0.00 0.03 -0.04 1.41 1.27 2qx5A1 VAL 428 H -0.23 0.22 -0.27 -0.55 8.24 7.41 2qx5A1 VAL 428 HA -0.26 0.17 0.68 -0.75 4.13 3.96 2qx5A1 VAL 428 HB -0.98 -0.03 0.10 -0.04 2.12 1.17 2qx5A1 VAL 428 HG13 -1.18 -0.03 -0.22 -0.04 0.97 -0.50 2qx5A1 VAL 428 HG23 -0.39 0.05 -0.11 -0.04 0.95 0.46 2qx5A1 THR 429 H 0.00 0.54 -0.39 -0.55 8.28 7.89 2qx5A1 THR 429 HA 0.18 0.09 0.92 -0.75 4.39 4.83 2qx5A1 THR 429 HB 0.13 0.05 0.13 -0.04 4.32 4.59 2qx5A1 THR 429 HG23 0.29 -0.04 -0.15 -0.04 1.22 1.28 2qx5A1 LEU 430 H 0.20 0.12 0.07 -0.55 8.37 8.21 2qx5A1 LEU 430 HA 0.10 0.27 0.74 -0.75 4.35 4.70 2qx5A1 LEU 430 HB2 0.22 -0.04 0.01 -0.04 1.64 1.79 2qx5A1 LEU 430 HB3 0.14 0.01 0.10 -0.04 1.64 1.86 2qx5A1 LEU 430 HG 0.22 -0.03 -0.33 -0.04 1.64 1.45 2qx5A1 LEU 430 HD13 0.31 0.00 -0.02 -0.04 0.93 1.17 2qx5A1 LEU 430 HD23 0.11 0.05 -0.12 -0.04 0.89 0.89 2qx5A1 SER 431 H 0.14 0.14 0.00 -0.55 8.46 8.20 2qx5A1 SER 431 HA 0.04 0.23 0.63 -0.75 4.49 4.63 2qx5A1 SER 431 HB2 -0.02 -0.03 0.13 -0.04 3.95 3.98 2qx5A1 SER 431 HB3 0.04 0.19 -0.28 -0.04 3.93 3.85 2qx5A1 ILE 432 H -0.01 0.22 0.13 -0.55 8.25 8.04 2qx5A1 ILE 432 HA 0.17 0.15 0.44 -0.75 4.18 4.19 2qx5A1 ILE 432 HB -0.07 -0.02 0.10 -0.04 1.89 1.86 2qx5A1 ILE 432 HG12 -0.01 0.10 0.00 -0.04 1.49 1.54 2qx5A1 ILE 432 HG13 -0.00 -0.04 0.01 -0.04 1.21 1.14 2qx5A1 ILE 432 HG23 0.42 0.02 -0.10 -0.04 0.93 1.23 2qx5A1 ILE 432 HD13 0.12 0.01 -0.09 -0.04 0.88 0.88 2qx5A1 GLU 433 H -0.08 0.11 -0.09 -0.55 8.60 7.99 2qx5A1 GLU 433 HA 0.17 0.08 0.38 -0.75 4.29 4.16 2qx5A1 GLU 433 HB2 -0.03 -0.05 0.02 -0.04 2.09 2.00 2qx5A1 GLU 433 HB3 0.05 0.13 -0.05 -0.04 1.99 2.08 2qx5A1 GLU 433 HG2 -0.01 0.10 -0.01 -0.04 2.34 2.38 2qx5A1 GLU 433 HG3 -0.10 0.00 0.01 -0.04 2.34 2.21 2qx5A1 ASP 434 H 0.14 0.03 -0.46 -0.55 8.40 7.57 2qx5A1 ASP 434 HA 0.18 0.12 0.34 -0.75 4.63 4.52 2qx5A1 ASP 434 HB2 0.23 0.01 0.11 -0.04 2.71 3.02 2qx5A1 ASP 434 HB3 0.27 0.11 0.06 -0.04 2.70 3.10 2qx5A1 TRP 435 H 0.44 0.28 -0.21 -0.55 7.97 7.94 2qx5A1 TRP 435 HA 0.24 0.05 0.40 -0.75 4.62 4.55 2qx5A1 TRP 435 HB2 0.13 0.01 0.08 -0.04 3.23 3.41 2qx5A1 TRP 435 HB3 0.19 0.08 0.15 -0.04 3.23 3.61 2qx5A1 TRP 435 HD1 0.14 -0.02 -0.05 -0.04 7.22 7.25 2qx5A1 TRP 435 HE1 0.23 -0.01 -0.09 -0.04 10.20 10.28 2qx5A1 TRP 435 HE3 0.31 0.00 -0.15 -0.04 7.59 7.71 2qx5A1 TRP 435 HZ2 0.03 0.00 -0.09 -0.04 7.44 7.34 2qx5A1 TRP 435 HZ3 0.27 -0.02 -0.11 -0.04 7.13 7.23 2qx5A1 TRP 435 HH2 0.08 0.00 -0.14 -0.04 7.19 7.08 2qx5A1 LEU 436 H 0.53 0.52 -0.05 -0.55 8.37 8.83 2qx5A1 LEU 436 HA 0.25 0.01 0.34 -0.75 4.35 4.19 2qx5A1 LEU 436 HB2 0.38 0.07 0.07 -0.04 1.64 2.11 2qx5A1 LEU 436 HB3 0.37 -0.01 -0.04 -0.04 1.64 1.92 2qx5A1 LEU 436 HG 0.64 0.09 0.03 -0.04 1.64 2.36 2qx5A1 LEU 436 HD13 0.46 -0.02 -0.09 -0.04 0.93 1.24 2qx5A1 LEU 436 HD23 0.49 -0.00 -0.04 -0.04 0.89 1.29 2qx5A1 TRP 437 H 0.39 0.49 -0.20 -0.55 7.97 8.11 2qx5A1 TRP 437 HA 0.01 -0.01 0.39 -0.75 4.62 4.25 2qx5A1 TRP 437 HB2 0.04 -0.02 0.06 -0.04 3.23 3.27 2qx5A1 TRP 437 HB3 0.02 0.07 0.10 -0.04 3.23 3.37 2qx5A1 TRP 437 HD1 0.01 -0.03 0.04 -0.04 7.22 7.20 2qx5A1 TRP 437 HE1 -0.02 0.00 -0.07 -0.04 10.20 10.08 2qx5A1 TRP 437 HE3 -0.04 0.08 -0.14 -0.04 7.59 7.46 2qx5A1 TRP 437 HZ2 -0.08 0.05 -0.29 -0.04 7.44 7.08 2qx5A1 TRP 437 HZ3 -0.20 -0.02 -0.08 -0.04 7.13 6.78 2qx5A1 TRP 437 HH2 -0.26 -0.04 -0.15 -0.04 7.19 6.69 2qx5A1 MET 438 H 0.26 0.56 -0.16 -0.55 8.47 8.59 2qx5A1 MET 438 HA -0.31 0.00 0.38 -0.75 4.52 3.84 2qx5A1 MET 438 HB2 -0.08 0.06 0.17 -0.04 2.15 2.27 2qx5A1 MET 438 HB3 -0.11 0.02 0.01 -0.04 2.03 1.90 2qx5A1 MET 438 HG2 0.43 0.32 0.14 -0.04 2.63 3.48 2qx5A1 MET 438 HG3 0.24 -0.16 -0.09 -0.04 2.56 2.51 2qx5A1 MET 438 HE3 0.06 -0.00 -0.05 -0.04 2.10 2.07 2qx5A1 HIS 439 H -0.23 0.49 -0.10 -0.55 8.41 8.02 2qx5A1 HIS 439 HA -0.34 0.06 0.37 -0.75 4.63 3.96 2qx5A1 HIS 439 HB2 -1.09 0.10 0.14 -0.04 3.26 2.37 2qx5A1 HIS 439 HB3 -1.35 -0.08 -0.07 -0.04 3.20 1.66 2qx5A1 HIS 439 HD2 -1.25 0.29 0.04 -0.04 6.97 6.00 2qx5A1 HIS 439 HE1 0.04 -0.04 -0.08 -0.04 7.75 7.63 2qx5A1 LEU 440 H -0.43 0.59 -0.06 -0.55 8.37 7.92 2qx5A1 LEU 440 HA -0.35 -0.09 0.37 -0.75 4.35 3.52 2qx5A1 LEU 440 HB2 -0.24 0.11 0.12 -0.04 1.64 1.59 2qx5A1 LEU 440 HB3 -0.17 -0.03 0.02 -0.04 1.64 1.43 2qx5A1 LEU 440 HG -0.22 0.04 0.03 -0.04 1.64 1.44 2qx5A1 LEU 440 HD13 0.11 -0.04 -0.23 -0.04 0.93 0.73 2qx5A1 LEU 440 HD23 -0.02 -0.01 0.05 -0.04 0.89 0.86 2qx5A1 MET 441 H -0.55 0.54 -0.32 -0.55 8.47 7.59 2qx5A1 MET 441 HA -0.34 -0.06 0.41 -0.75 4.52 3.77 2qx5A1 MET 441 HB2 -0.63 0.32 0.19 -0.04 2.15 1.99 2qx5A1 MET 441 HB3 -0.40 -0.01 0.00 -0.04 2.03 1.58 2qx5A1 MET 441 HG2 -1.75 0.07 0.02 -0.04 2.63 0.92 2qx5A1 MET 441 HG3 -1.68 -0.11 -0.04 -0.04 2.56 0.69 2qx5A1 MET 441 HE3 -0.12 -0.02 -0.05 -0.04 2.10 1.87 2qx5A1 LEU 442 H -0.23 0.58 -0.43 -0.55 8.37 7.74 2qx5A1 LEU 442 HA -0.10 0.11 0.09 -0.75 4.35 3.70 2qx5A1 LEU 442 HB2 -0.07 0.08 0.11 -0.04 1.64 1.72 2qx5A1 LEU 442 HB3 -0.05 -0.12 0.04 -0.04 1.64 1.47 2qx5A1 LEU 442 HG -0.26 0.22 -0.00 -0.04 1.64 1.56 2qx5A1 LEU 442 HD13 -0.37 -0.05 -0.09 -0.04 0.93 0.38 2qx5A1 LEU 442 HD23 -0.14 -0.01 -0.14 -0.04 0.89 0.56 2qx5A1 ILE 443 H -0.11 0.32 -0.42 -0.55 8.25 7.48 2qx5A1 ILE 443 HA -0.07 0.12 0.04 -0.75 4.18 3.51 2qx5A1 ILE 443 HB -0.17 0.22 0.12 -0.04 1.89 2.02 2qx5A1 ILE 443 HG12 -0.70 -0.02 -0.27 -0.04 1.49 0.46 2qx5A1 ILE 443 HG13 -0.32 0.29 -0.11 -0.04 1.21 1.03 2qx5A1 ILE 443 HG23 -0.15 -0.09 -0.08 -0.04 0.93 0.56 2qx5A1 ILE 443 HD13 -0.29 -0.08 -0.08 -0.04 0.88 0.38 2qx5A1 LYS 444 H -0.10 0.20 0.26 -0.55 8.42 8.23 2qx5A1 LYS 444 HA -0.01 -0.14 0.17 -0.75 4.32 3.59 2qx5A1 LYS 444 HB2 -0.02 0.10 0.21 -0.04 1.87 2.12 2qx5A1 LYS 444 HB3 -0.02 -0.10 0.12 -0.04 1.79 1.74 2qx5A1 LYS 444 HG2 -0.07 -0.16 -0.28 -0.04 1.46 0.91 2qx5A1 LYS 444 HG3 -0.04 0.18 -0.07 -0.04 1.46 1.49 2qx5A1 LYS 444 HD2 -0.03 0.03 0.05 -0.04 1.69 1.70 2qx5A1 LYS 444 HD3 -0.04 -0.15 0.05 -0.04 1.68 1.50 2qx5A1 LYS 444 HE2 -0.03 0.06 0.03 -0.04 2.99 3.01 2qx5A1 LYS 444 HE3 -0.03 -0.07 0.04 -0.04 2.99 2.89 2qx5A1 GLU 455 HA -0.01 -0.02 0.22 -0.75 4.29 3.72 2qx5A1 ARG 456 H 0.03 0.22 0.15 -0.55 8.46 8.31 2qx5A1 ARG 456 HA 0.04 0.14 0.83 -0.75 4.34 4.60 2qx5A1 TYR 457 H 0.09 0.20 0.24 -0.55 8.29 8.28 2qx5A1 TYR 457 HA 0.00 0.10 0.97 -0.75 4.56 4.88 2qx5A1 TYR 457 HB2 -0.04 0.05 -0.21 -0.04 3.06 2.82 2qx5A1 TYR 457 HB3 -0.06 0.23 0.05 -0.04 2.98 3.16 2qx5A1 TYR 457 HD2 -0.06 0.05 -0.11 -0.04 7.15 6.99 2qx5A1 TYR 457 HE2 -0.04 -0.00 -0.16 -0.04 6.85 6.60 2qx5A1 SER 458 H -0.04 0.15 0.14 -0.55 8.46 8.16 2qx5A1 SER 458 HA -0.14 0.13 0.56 -0.75 4.49 4.29 2qx5A1 SER 458 HB2 -0.06 -0.01 0.16 -0.04 3.95 4.00 2qx5A1 SER 458 HB3 -0.03 0.12 0.05 -0.04 3.93 4.03 2qx5A1 LEU 459 H -0.11 0.20 0.21 -0.55 8.37 8.12 2qx5A1 LEU 459 HA -0.08 0.17 0.56 -0.75 4.35 4.25 2qx5A1 LEU 459 HB2 -0.06 0.07 0.18 -0.04 1.64 1.78 2qx5A1 LEU 459 HB3 -0.05 -0.07 0.20 -0.04 1.64 1.67 2qx5A1 LEU 459 HG -0.04 -0.02 -0.17 -0.04 1.64 1.37 2qx5A1 LEU 459 HD13 0.06 0.05 0.06 -0.04 0.93 1.05 2qx5A1 LEU 459 HD23 -0.05 0.02 0.03 -0.04 0.89 0.86 2qx5A1 GLU 460 H -0.05 0.13 -0.00 -0.55 8.60 8.13 2qx5A1 GLU 460 HA -0.03 0.09 0.40 -0.75 4.29 3.99 2qx5A1 GLU 460 HB2 -0.02 -0.04 0.04 -0.04 2.09 2.03 2qx5A1 GLU 460 HB3 -0.01 0.06 0.00 -0.04 1.99 2.00 2qx5A1 GLU 460 HG2 -0.02 0.06 0.04 -0.04 2.34 2.38 2qx5A1 GLU 460 HG3 -0.03 0.05 0.06 -0.04 2.34 2.38 2qx5A1 ASP 461 H -0.04 0.02 -0.49 -0.55 8.40 7.34 2qx5A1 ASP 461 HA 0.09 0.06 0.52 -0.75 4.63 4.54 2qx5A1 ASP 461 HB2 -0.07 0.23 0.13 -0.04 2.71 2.96 2qx5A1 ASP 461 HB3 0.34 0.07 0.01 -0.04 2.70 3.08 2qx5A1 PHE 462 H -0.05 0.43 -0.03 -0.55 8.34 8.14 2qx5A1 PHE 462 HA 0.17 0.03 0.45 -0.75 4.62 4.52 2qx5A1 PHE 462 HB2 -0.30 0.05 0.07 -0.04 3.15 2.93 2qx5A1 PHE 462 HB3 -0.15 0.08 0.19 -0.04 3.06 3.14 2qx5A1 PHE 462 HD2 -0.05 0.00 -0.00 -0.04 7.28 7.19 2qx5A1 PHE 462 HE2 -0.67 0.01 -0.07 -0.04 7.38 6.60 2qx5A1 PHE 462 HZ -0.13 -0.06 -0.02 -0.04 7.32 7.07 2qx5A1 GLN 463 H -0.01 0.68 -0.06 -0.55 8.47 8.53 2qx5A1 GLN 463 HA -0.27 0.00 0.38 -0.75 4.36 3.72 2qx5A1 GLN 463 HB2 -0.06 0.07 0.10 -0.04 2.15 2.22 2qx5A1 GLN 463 HB3 -0.11 -0.07 -0.03 -0.04 2.02 1.77 2qx5A1 GLN 463 HG2 -0.17 0.01 -0.06 -0.04 2.40 2.14 2qx5A1 GLN 463 HG3 -0.07 0.14 -0.05 -0.04 2.39 2.37 2qx5A1 GLN 463 HE21 -0.14 -0.05 -0.05 -0.04 6.97 6.69 2qx5A1 GLN 463 HE22 -0.17 0.47 -0.10 -0.04 7.69 7.86 2qx5A1 ASN 464 H 0.02 0.59 -0.15 -0.55 8.53 8.45 2qx5A1 ASN 464 HA 0.02 -0.03 0.43 -0.75 4.76 4.43 2qx5A1 ASN 464 HB2 0.09 0.18 0.21 -0.04 2.88 3.32 2qx5A1 ASN 464 HB3 0.06 -0.03 -0.03 -0.04 2.79 2.75 2qx5A1 ASN 464 HD21 0.03 -0.07 -0.06 -0.04 7.03 6.89 2qx5A1 ASN 464 HD22 0.06 -0.01 0.00 -0.04 7.74 7.75 2qx5A1 ILE 465 H 0.15 0.52 -0.18 -0.55 8.25 8.19 2qx5A1 ILE 465 HA 0.21 -0.00 0.37 -0.75 4.18 4.01 2qx5A1 ILE 465 HB 0.31 0.17 0.13 -0.04 1.89 2.46 2qx5A1 ILE 465 HG12 0.29 -0.06 0.03 -0.04 1.49 1.71 2qx5A1 ILE 465 HG13 0.30 0.22 0.11 -0.04 1.21 1.79 2qx5A1 ILE 465 HG23 0.64 -0.02 -0.14 -0.04 0.93 1.38 2qx5A1 ILE 465 HD13 0.45 -0.02 -0.04 -0.04 0.88 1.24 2qx5A1 ILE 466 H 0.00 0.48 -0.22 -0.55 8.25 7.97 2qx5A1 ILE 466 HA 0.39 0.01 0.29 -0.75 4.18 4.12 2qx5A1 ILE 466 HB -0.22 0.10 0.16 -0.04 1.89 1.90 2qx5A1 ILE 466 HG12 -0.16 -0.07 -0.06 -0.04 1.49 1.16 2qx5A1 ILE 466 HG13 -0.33 0.07 -0.01 -0.04 1.21 0.90 2qx5A1 ILE 466 HG23 -0.29 -0.03 -0.27 -0.04 0.93 0.31 2qx5A1 ILE 466 HD13 -0.91 -0.01 -0.14 -0.04 0.88 -0.22 2qx5A1 ILE 467 H 0.03 0.72 -0.02 -0.55 8.25 8.43 2qx5A1 ILE 467 HA 0.14 -0.07 0.33 -0.75 4.18 3.83 2qx5A1 ILE 467 HB 0.03 0.11 0.13 -0.04 1.89 2.11 2qx5A1 ILE 467 HG12 0.00 -0.09 -0.00 -0.04 1.49 1.36 2qx5A1 ILE 467 HG13 -0.04 0.04 0.04 -0.04 1.21 1.20 2qx5A1 ILE 467 HG23 0.04 -0.02 -0.14 -0.04 0.93 0.77 2qx5A1 ILE 467 HD13 -0.03 -0.02 -0.10 -0.04 0.88 0.68 2qx5A1 SER 468 H 0.08 0.74 -0.19 -0.55 8.46 8.55 2qx5A1 SER 468 HA -0.01 -0.06 0.34 -0.75 4.49 4.01 2qx5A1 SER 468 HB2 -0.00 -0.03 0.07 -0.04 3.95 3.95 2qx5A1 SER 468 HB3 0.02 0.13 0.18 -0.04 3.93 4.21 2qx5A1 TYR 469 H 0.27 0.50 -0.17 -0.55 8.29 8.34 2qx5A1 TYR 469 HA 0.00 0.01 0.53 -0.75 4.56 4.35 2qx5A1 TYR 469 HB2 0.14 0.12 0.10 -0.04 3.06 3.39 2qx5A1 TYR 469 HB3 -0.13 -0.11 0.00 -0.04 2.98 2.70 2qx5A1 TYR 469 HD2 0.02 0.13 0.02 -0.04 7.15 7.28 2qx5A1 TYR 469 HE2 0.05 -0.03 -0.02 -0.04 6.85 6.80 2qx5A1 GLY 470 H 0.26 0.43 -0.16 -0.55 8.43 8.42 2qx5A1 GLY 470 HA2 0.02 0.03 0.32 -0.51 4.01 3.88 2qx5A1 GLY 470 HA3 -0.02 0.05 0.34 -0.51 4.01 3.87 2qx5A1 PRO 471 HA -1.07 -0.01 0.33 -0.51 4.44 3.18 2qx5A1 PRO 471 HB2 -0.11 0.06 -0.05 -0.04 2.28 2.14 2qx5A1 PRO 471 HB3 -0.63 -0.02 0.06 -0.04 2.02 1.39 2qx5A1 PRO 471 HG2 -0.11 0.04 0.08 -0.04 2.03 2.00 2qx5A1 PRO 471 HG3 -0.07 0.06 0.06 -0.04 2.03 2.04 2qx5A1 PRO 471 HD2 -0.17 0.19 0.23 -0.04 3.68 3.88 2qx5A1 PRO 471 HD3 -0.60 0.11 0.12 -0.04 3.65 3.24 2qx5A1 SER 472 H -0.11 0.18 -0.28 -0.55 8.46 7.70 2qx5A1 SER 472 HA -0.03 0.01 0.35 -0.75 4.49 4.06 2qx5A1 SER 472 HB2 -0.02 -0.04 0.10 -0.04 3.95 3.94 2qx5A1 SER 472 HB3 -0.03 0.21 0.09 -0.04 3.93 4.16 2qx5A1 ARG 473 H -0.08 0.47 -0.43 -0.55 8.46 7.87 2qx5A1 ARG 473 HA -0.21 0.13 0.55 -0.75 4.34 4.06 2qx5A1 ARG 473 HB2 -0.53 0.08 -0.05 -0.04 1.90 1.36 2qx5A1 ARG 473 HB3 -0.55 -0.05 0.11 -0.04 1.80 1.28 2qx5A1 ARG 473 HG2 -0.02 0.09 -0.05 -0.04 1.67 1.65 2qx5A1 ARG 473 HG3 0.12 0.00 0.01 -0.04 1.67 1.77 2qx5A1 ARG 473 HD2 -0.13 0.01 -0.13 -0.04 3.22 2.94 2qx5A1 ARG 473 HD3 -0.03 -0.01 -0.10 -0.04 3.22 3.04 2qx5A1 PHE 474 H 0.04 0.49 -0.35 -0.55 8.34 7.97 2qx5A1 PHE 474 HA -0.01 0.22 0.84 -0.75 4.62 4.92 2qx5A1 PHE 474 HB2 0.19 0.01 -0.10 -0.04 3.15 3.22 2qx5A1 PHE 474 HB3 0.19 -0.15 -0.15 -0.04 3.06 2.91 2qx5A1 PHE 474 HD2 0.09 0.06 -0.15 -0.04 7.28 7.24 2qx5A1 PHE 474 HE2 0.08 0.07 -0.09 -0.04 7.38 7.41 2qx5A1 PHE 474 HZ 0.04 0.01 -0.10 -0.04 7.32 7.23 2qx5A1 SER 475 H 0.01 0.27 -0.18 -0.55 8.46 8.03 2qx5A1 SER 475 HA 0.05 0.12 0.33 -0.75 4.49 4.24 2qx5A1 SER 475 HB2 0.03 0.06 -0.12 -0.04 3.95 3.88 2qx5A1 SER 475 HB3 0.09 -0.26 0.13 -0.04 3.93 3.84 2qx5A1 ASN 476 H 0.13 0.14 0.16 -0.55 8.53 8.41 2qx5A1 ASN 476 HA 0.15 0.18 0.99 -0.75 4.76 5.33 2qx5A1 ASN 476 HB2 0.09 -0.02 0.21 -0.04 2.88 3.13 2qx5A1 ASN 476 HB3 0.07 0.02 0.02 -0.04 2.79 2.87 2qx5A1 ASN 476 HD21 0.06 0.04 0.03 -0.04 7.03 7.12 2qx5A1 ASN 476 HD22 0.06 -0.03 0.04 -0.04 7.74 7.77 2qx5A1 TYR 477 H 0.30 0.73 -0.11 -0.55 8.29 8.66 2qx5A1 TYR 477 HA 0.11 0.12 0.75 -0.75 4.56 4.78 2qx5A1 TYR 477 HB2 0.13 -0.01 -0.11 -0.04 3.06 3.03 2qx5A1 TYR 477 HB3 0.19 0.06 0.07 -0.04 2.98 3.26 2qx5A1 TYR 477 HD2 0.13 0.08 0.02 -0.04 7.15 7.34 2qx5A1 TYR 477 HE2 0.15 0.07 -0.06 -0.04 6.85 6.96 2qx5A1 TYR 478 H 0.22 0.20 -0.07 -0.55 8.29 8.08 2qx5A1 TYR 478 HA -0.26 0.17 0.48 -0.75 4.56 4.20 2qx5A1 TYR 478 HB2 -0.04 0.11 -0.01 -0.04 3.06 3.08 2qx5A1 TYR 478 HB3 -0.49 0.01 0.00 -0.04 2.98 2.46 2qx5A1 TYR 478 HD2 -0.98 0.02 -0.15 -0.04 7.15 5.99 2qx5A1 TYR 478 HE2 -0.22 0.10 -0.20 -0.04 6.85 6.49 2qx5A1 LEU 479 H 0.09 0.13 -0.10 -0.55 8.37 7.94 2qx5A1 LEU 479 HA -0.12 0.11 0.42 -0.75 4.35 4.01 2qx5A1 LEU 479 HB2 0.41 0.03 0.01 -0.04 1.64 2.04 2qx5A1 LEU 479 HB3 0.07 0.01 -0.02 -0.04 1.64 1.66 2qx5A1 LEU 479 HG -0.06 0.01 -0.21 -0.04 1.64 1.33 2qx5A1 LEU 479 HD13 0.05 -0.00 0.01 -0.04 0.93 0.95 2qx5A1 LEU 479 HD23 0.12 0.02 -0.12 -0.04 0.89 0.86 2qx5A1 GLN 480 H -0.30 0.08 -0.34 -0.55 8.47 7.36 2qx5A1 GLN 480 HA -0.29 0.08 0.26 -0.75 4.36 3.65 2qx5A1 GLN 480 HB2 -1.52 0.05 0.01 -0.04 2.15 0.65 2qx5A1 GLN 480 HB3 -0.65 0.07 -0.08 -0.04 2.02 1.31 2qx5A1 GLN 480 HG2 -0.33 0.07 -0.05 -0.04 2.40 2.05 2qx5A1 GLN 480 HG3 -0.25 -0.01 -0.09 -0.04 2.39 2.00 2qx5A1 GLN 480 HE21 0.11 0.09 0.10 -0.04 6.97 7.23 2qx5A1 GLN 480 HE22 0.12 0.03 0.04 -0.04 7.69 7.83 2qx5A1 THR 481 H -0.38 0.36 -0.33 -0.55 8.28 7.38 2qx5A1 THR 481 HA -0.10 0.03 0.35 -0.75 4.39 3.92 2qx5A1 THR 481 HB -0.60 0.05 0.15 -0.04 4.32 3.87 2qx5A1 THR 481 HG23 -0.64 -0.01 -0.16 -0.04 1.22 0.37 2qx5A1 LEU 482 H -0.53 0.65 -0.20 -0.55 8.37 7.74 2qx5A1 LEU 482 HA -0.41 -0.01 0.36 -0.75 4.35 3.54 2qx5A1 LEU 482 HB2 -0.34 0.11 0.14 -0.04 1.64 1.50 2qx5A1 LEU 482 HB3 -0.28 -0.03 -0.05 -0.04 1.64 1.23 2qx5A1 LEU 482 HG -1.25 0.27 -0.01 -0.04 1.64 0.60 2qx5A1 LEU 482 HD13 -0.33 -0.05 -0.29 -0.04 0.93 0.21 2qx5A1 LEU 482 HD23 -0.54 -0.02 -0.10 -0.04 0.89 0.19 2qx5A1 LEU 483 H -0.22 0.62 -0.14 -0.55 8.37 8.08 2qx5A1 LEU 483 HA -0.05 -0.03 0.39 -0.75 4.35 3.91 2qx5A1 LEU 483 HB2 -0.17 0.06 0.06 -0.04 1.64 1.56 2qx5A1 LEU 483 HB3 -0.08 0.03 -0.07 -0.04 1.64 1.48 2qx5A1 LEU 483 HG -0.14 0.07 -0.01 -0.04 1.64 1.51 2qx5A1 LEU 483 HD13 -0.22 -0.01 -0.11 -0.04 0.93 0.55 2qx5A1 LEU 483 HD23 -0.05 -0.01 -0.11 -0.04 0.89 0.68 2qx5A1 LEU 484 H -0.14 0.73 -0.09 -0.55 8.37 8.33 2qx5A1 LEU 484 HA -0.01 0.08 0.45 -0.75 4.35 4.11 2qx5A1 LEU 484 HB2 0.01 0.05 0.11 -0.04 1.64 1.76 2qx5A1 LEU 484 HB3 0.11 -0.04 -0.04 -0.04 1.64 1.64 2qx5A1 LEU 484 HG -0.08 0.05 0.00 -0.04 1.64 1.57 2qx5A1 LEU 484 HD13 0.28 -0.03 -0.11 -0.04 0.93 1.03 2qx5A1 LEU 484 HD23 0.01 0.00 0.01 -0.04 0.89 0.86 2qx5A1 SER 485 H -0.14 0.55 -0.19 -0.55 8.46 8.14 2qx5A1 SER 485 HA 0.03 0.12 0.59 -0.75 4.49 4.48 2qx5A1 SER 485 HB2 -0.22 -0.10 0.03 -0.04 3.95 3.62 2qx5A1 SER 485 HB3 -0.26 0.00 -0.00 -0.04 3.93 3.63 2qx5A1 GLY 486 H -0.23 0.27 -0.72 -0.55 8.43 7.20 2qx5A1 GLY 486 HA2 -0.99 0.11 0.26 -0.51 4.01 2.88 2qx5A1 GLY 486 HA3 -0.44 0.03 0.51 -0.51 4.01 3.60 2qx5A1 LEU 487 H -0.37 0.76 -0.03 -0.55 8.37 8.18 2qx5A1 LEU 487 HA -0.28 0.13 0.76 -0.75 4.35 4.21 2qx5A1 LEU 487 HB2 -0.26 0.03 0.17 -0.04 1.64 1.53 2qx5A1 LEU 487 HB3 -0.17 -0.15 0.10 -0.04 1.64 1.38 2qx5A1 LEU 487 HG -0.24 0.08 -0.24 -0.04 1.64 1.19 2qx5A1 LEU 487 HD13 -0.22 0.00 -0.04 -0.04 0.93 0.63 2qx5A1 LEU 487 HD23 -0.13 0.00 -0.06 -0.04 0.89 0.66 2qx5A1 TYR 488 H -0.47 0.43 -0.24 -0.55 8.29 7.46 2qx5A1 TYR 488 HA -0.11 0.06 0.10 -0.75 4.56 3.85 2qx5A1 TYR 488 HB2 -0.08 -0.03 0.07 -0.04 3.06 2.98 2qx5A1 TYR 488 HB3 -0.10 0.02 -0.02 -0.04 2.98 2.83 2qx5A1 TYR 488 HD2 -0.10 -0.08 -0.03 -0.04 7.15 6.90 2qx5A1 TYR 488 HE2 -0.08 0.07 0.03 -0.04 6.85 6.82 2qx5A1 GLY 489 H 0.03 0.16 -0.05 -0.55 8.43 8.02 2qx5A1 GLY 489 HA2 0.04 0.08 0.42 -0.51 4.01 4.04 2qx5A1 GLY 489 HA3 0.02 0.08 0.27 -0.51 4.01 3.87 2qx5A1 LEU 490 H -0.03 0.10 -0.33 -0.55 8.37 7.56 2qx5A1 LEU 490 HA 0.03 0.05 0.44 -0.75 4.35 4.12 2qx5A1 LEU 490 HB2 -0.09 0.12 0.03 -0.04 1.64 1.66 2qx5A1 LEU 490 HB3 -0.01 0.01 -0.03 -0.04 1.64 1.56 2qx5A1 LEU 490 HG -0.04 -0.06 -0.02 -0.04 1.64 1.48 2qx5A1 LEU 490 HD13 -0.04 0.02 -0.03 -0.04 0.93 0.84 2qx5A1 LEU 490 HD23 0.02 0.01 -0.06 -0.04 0.89 0.81 2qx5A1 ALA 491 H -0.06 0.68 -0.13 -0.55 8.40 8.34 2qx5A1 ALA 491 HA -0.02 -0.04 0.44 -0.75 4.34 3.97 2qx5A1 ALA 491 HB3 -0.06 0.04 -0.04 -0.04 1.41 1.30 2qx5A1 ILE 492 H 0.02 0.52 -0.24 -0.55 8.25 8.00 2qx5A1 ILE 492 HA -0.03 -0.00 0.39 -0.75 4.18 3.78 2qx5A1 ILE 492 HB 0.08 0.13 0.14 -0.04 1.89 2.19 2qx5A1 ILE 492 HG12 -0.04 -0.00 -0.06 -0.04 1.49 1.35 2qx5A1 ILE 492 HG13 -0.05 -0.02 -0.07 -0.04 1.21 1.04 2qx5A1 ILE 492 HG23 0.21 -0.01 -0.19 -0.04 0.93 0.90 2qx5A1 ILE 492 HD13 0.00 0.00 -0.10 -0.04 0.88 0.74 2qx5A1 ASP 493 H 0.10 0.54 -0.01 -0.55 8.40 8.48 2qx5A1 ASP 493 HA 0.16 0.00 0.40 -0.75 4.63 4.44 2qx5A1 ASP 493 HB2 0.10 0.10 0.19 -0.04 2.71 3.06 2qx5A1 ASP 493 HB3 0.10 -0.01 -0.08 -0.04 2.70 2.67 2qx5A1 TYR 494 H 0.20 0.70 -0.22 -0.55 8.29 8.42 2qx5A1 TYR 494 HA 0.09 0.02 0.33 -0.75 4.56 4.25 2qx5A1 TYR 494 HB2 0.14 0.04 0.04 -0.04 3.06 3.24 2qx5A1 TYR 494 HB3 0.05 0.09 0.10 -0.04 2.98 3.18 2qx5A1 TYR 494 HD2 0.19 0.02 -0.08 -0.04 7.15 7.25 2qx5A1 TYR 494 HE2 0.21 -0.05 -0.05 -0.04 6.85 6.92 2qx5A1 THR 495 H -0.01 0.64 -0.12 -0.55 8.28 8.24 2qx5A1 THR 495 HA -1.07 -0.04 0.41 -0.75 4.39 2.94 2qx5A1 THR 495 HB -0.26 0.10 0.06 -0.04 4.32 4.18 2qx5A1 THR 495 HG23 -0.32 -0.02 -0.14 -0.04 1.22 0.70 2qx5A1 TYR 496 H -0.01 0.57 -0.31 -0.55 8.29 7.99 2qx5A1 TYR 496 HA -0.14 -0.09 0.30 -0.75 4.56 3.87 2qx5A1 TYR 496 HB2 -0.06 0.29 0.17 -0.04 3.06 3.41 2qx5A1 TYR 496 HB3 -0.04 -0.03 -0.05 -0.04 2.98 2.81 2qx5A1 TYR 496 HD2 -0.02 0.04 -0.13 -0.04 7.15 6.99 2qx5A1 TYR 496 HE2 0.02 -0.01 -0.08 -0.04 6.85 6.74 2qx5A1 THR 497 H -0.17 0.48 -0.42 -0.55 8.28 7.62 2qx5A1 THR 497 HA 0.02 0.07 0.40 -0.75 4.39 4.12 2qx5A1 THR 497 HB 0.03 -0.06 0.11 -0.04 4.32 4.36 2qx5A1 THR 497 HG23 0.06 0.03 0.03 -0.04 1.22 1.29 2qx5A1 PHE 498 H -0.54 0.28 -0.35 -0.55 8.34 7.17 2qx5A1 PHE 498 HA -0.01 0.22 0.84 -0.75 4.62 4.92 2qx5A1 PHE 498 HB2 -0.02 -0.08 0.16 -0.04 3.15 3.17 2qx5A1 PHE 498 HB3 -0.08 0.05 -0.09 -0.04 3.06 2.90 2qx5A1 PHE 498 HD2 -0.20 -0.01 -0.17 -0.04 7.28 6.86 2qx5A1 PHE 498 HE2 -0.23 -0.05 -0.11 -0.04 7.38 6.95 2qx5A1 PHE 498 HZ -0.01 -0.05 -0.07 -0.04 7.32 7.15 2qx5A1 SER 499 H -0.24 0.31 -0.12 -0.55 8.46 7.86 2qx5A1 SER 499 HA 0.05 0.02 0.46 -0.75 4.49 4.26 2qx5A1 SER 499 HB2 0.20 0.25 0.16 -0.04 3.95 4.53 2qx5A1 SER 499 HB3 0.01 0.02 -0.12 -0.04 3.93 3.81 2qx5A1 GLU 500 H 0.04 0.24 0.13 -0.55 8.60 8.46 2qx5A1 GLU 500 HA -0.25 0.11 0.35 -0.75 4.29 3.74 2qx5A1 GLU 500 HB2 0.19 0.13 0.13 -0.04 2.09 2.50 2qx5A1 GLU 500 HB3 0.13 -0.03 0.12 -0.04 1.99 2.17 2qx5A1 GLU 500 HG2 0.22 -0.04 -0.28 -0.04 2.34 2.21 2qx5A1 GLU 500 HG3 0.19 -0.03 0.05 -0.04 2.34 2.50 2qx5A1 MET 501 H 0.09 0.07 -0.23 -0.55 8.47 7.86 2qx5A1 MET 501 HA 0.09 0.13 0.30 -0.75 4.52 4.29 2qx5A1 MET 501 HB2 0.24 0.01 0.04 -0.04 2.15 2.40 2qx5A1 MET 501 HB3 0.19 -0.02 0.01 -0.04 2.03 2.17 2qx5A1 MET 501 HG2 0.48 0.01 -0.21 -0.04 2.63 2.87 2qx5A1 MET 501 HG3 0.46 0.03 -0.02 -0.04 2.56 2.99 2qx5A1 MET 501 HE3 0.20 0.01 -0.02 -0.04 2.10 2.26 2qx5A1 ASP 502 H 0.11 0.12 -0.22 -0.55 8.40 7.86 2qx5A1 ASP 502 HA 0.30 0.07 0.41 -0.75 4.63 4.65 2qx5A1 ASP 502 HB2 0.08 0.12 0.04 -0.04 2.71 2.90 2qx5A1 ASP 502 HB3 0.15 0.01 -0.04 -0.04 2.70 2.78 2qx5A1 ALA 503 H -0.22 0.47 -0.31 -0.55 8.40 7.80 2qx5A1 ALA 503 HA -0.25 0.01 0.39 -0.75 4.34 3.73 2qx5A1 ALA 503 HB3 -0.86 0.04 -0.09 -0.04 1.41 0.47 2qx5A1 VAL 504 H -0.26 0.55 -0.14 -0.55 8.24 7.85 2qx5A1 VAL 504 HA -0.08 0.02 0.33 -0.75 4.13 3.64 2qx5A1 VAL 504 HB -0.49 0.13 0.15 -0.04 2.12 1.87 2qx5A1 VAL 504 HG13 -0.50 -0.02 -0.18 -0.04 0.97 0.23 2qx5A1 VAL 504 HG23 -0.17 0.05 0.04 -0.04 0.95 0.83 2qx5A1 HIS 505 H 0.06 0.40 -0.28 -0.55 8.41 8.04 2qx5A1 HIS 505 HA 0.08 0.04 0.35 -0.75 4.63 4.34 2qx5A1 HIS 505 HB2 -0.05 0.06 0.09 -0.04 3.26 3.32 2qx5A1 HIS 505 HB3 -0.46 -0.03 -0.00 -0.04 3.20 2.66 2qx5A1 HIS 505 HD2 0.39 -0.00 -0.05 -0.04 6.97 7.26 2qx5A1 HIS 505 HE1 0.21 -0.04 -0.06 -0.04 7.75 7.82 2qx5A1 LEU 506 H -0.04 0.67 -0.10 -0.55 8.37 8.36 2qx5A1 LEU 506 HA -0.71 0.01 0.52 -0.75 4.35 3.42 2qx5A1 LEU 506 HB2 -0.22 0.21 0.13 -0.04 1.64 1.71 2qx5A1 LEU 506 HB3 -0.26 0.02 -0.10 -0.04 1.64 1.26 2qx5A1 LEU 506 HG -0.81 -0.03 -0.03 -0.04 1.64 0.73 2qx5A1 LEU 506 HD13 -0.74 -0.02 -0.08 -0.04 0.93 0.05 2qx5A1 LEU 506 HD23 -0.27 -0.01 -0.14 -0.04 0.89 0.43 2qx5A1 ALA 507 H -0.07 0.62 -0.28 -0.55 8.40 8.12 2qx5A1 ALA 507 HA -0.11 -0.02 0.39 -0.75 4.34 3.84 2qx5A1 ALA 507 HB3 0.09 0.05 0.05 -0.04 1.41 1.56 2qx5A1 ILE 508 H 0.09 0.42 -0.15 -0.55 8.25 8.06 2qx5A1 ILE 508 HA 0.23 0.04 0.42 -0.75 4.18 4.11 2qx5A1 ILE 508 HB 0.18 0.10 0.12 -0.04 1.89 2.25 2qx5A1 ILE 508 HG12 0.37 -0.00 -0.02 -0.04 1.49 1.80 2qx5A1 ILE 508 HG13 0.20 0.18 -0.00 -0.04 1.21 1.55 2qx5A1 ILE 508 HG23 0.26 -0.01 -0.12 -0.04 0.93 1.02 2qx5A1 ILE 508 HD13 0.13 -0.02 -0.08 -0.04 0.88 0.86 2qx5A1 GLY 509 H 0.07 0.49 -0.27 -0.55 8.43 8.18 2qx5A1 GLY 509 HA2 0.08 -0.02 0.36 -0.51 4.01 3.91 2qx5A1 GLY 509 HA3 0.00 0.05 0.26 -0.51 4.01 3.81 2qx5A1 LEU 510 H -0.22 0.56 -0.08 -0.55 8.37 8.07 2qx5A1 LEU 510 HA -0.28 0.09 0.37 -0.75 4.35 3.78 2qx5A1 LEU 510 HB2 -0.24 0.01 0.06 -0.04 1.64 1.43 2qx5A1 LEU 510 HB3 -0.36 0.09 0.00 -0.04 1.64 1.33 2qx5A1 LEU 510 HG -0.32 0.14 0.03 -0.04 1.64 1.45 2qx5A1 LEU 510 HD13 -0.15 -0.04 -0.12 -0.04 0.93 0.58 2qx5A1 LEU 510 HD23 -0.43 0.00 -0.06 -0.04 0.89 0.36 2qx5A1 ALA 511 H -0.26 0.56 -0.28 -0.55 8.40 7.88 2qx5A1 ALA 511 HA -0.28 -0.14 0.45 -0.75 4.34 3.62 2qx5A1 ALA 511 HB3 -0.67 0.04 0.08 -0.04 1.41 0.82 2qx5A1 SER 512 H -0.07 0.52 -0.14 -0.55 8.46 8.22 2qx5A1 SER 512 HA 0.10 0.09 0.45 -0.75 4.49 4.38 2qx5A1 SER 512 HB2 0.17 -0.03 0.14 -0.04 3.95 4.18 2qx5A1 SER 512 HB3 0.01 0.10 0.14 -0.04 3.93 4.14 2qx5A1 LEU 513 H -0.11 0.16 -0.81 -0.55 8.37 7.06 2qx5A1 LEU 513 HA -0.04 0.11 0.79 -0.75 4.35 4.45 2qx5A1 LEU 513 HB2 -0.17 0.06 0.08 -0.04 1.64 1.57 2qx5A1 LEU 513 HB3 -0.13 -0.03 0.06 -0.04 1.64 1.51 2qx5A1 LEU 513 HG -0.06 0.01 -0.11 -0.04 1.64 1.44 2qx5A1 LEU 513 HD13 -0.12 -0.02 -0.11 -0.04 0.93 0.64 2qx5A1 LEU 513 HD23 -0.04 0.01 -0.00 -0.04 0.89 0.82 2qx5A1 LYS 514 H -0.10 0.35 -0.25 -0.55 8.42 7.87 2qx5A1 LYS 514 HA -0.08 -0.01 0.37 -0.75 4.32 3.85 2qx5A1 LYS 514 HB2 -0.05 0.26 0.16 -0.04 1.87 2.21 2qx5A1 LYS 514 HB3 -0.04 -0.11 0.20 -0.04 1.79 1.80 2qx5A1 LYS 514 HG2 -0.02 0.07 -0.33 -0.04 1.46 1.13 2qx5A1 LYS 514 HG3 -0.02 -0.01 -0.11 -0.04 1.46 1.28 2qx5A1 LYS 514 HD2 -0.02 -0.09 0.04 -0.04 1.69 1.59 2qx5A1 LYS 514 HD3 -0.02 0.02 0.06 -0.04 1.68 1.69 2qx5A1 LYS 514 HE2 0.01 0.08 0.02 -0.04 2.99 3.06 2qx5A1 LYS 514 HE3 -0.00 -0.05 0.03 -0.04 2.99 2.92 2qx5A1 LEU 515 H -0.17 0.15 -0.04 -0.55 8.37 7.76 2qx5A1 LEU 515 HA -0.08 0.05 0.26 -0.75 4.35 3.83 2qx5A1 LEU 515 HB2 -0.25 -0.11 0.04 -0.04 1.64 1.28 2qx5A1 LEU 515 HB3 -0.11 0.27 0.00 -0.04 1.64 1.75 2qx5A1 LEU 515 HG -0.26 0.07 -0.55 -0.04 1.64 0.85 2qx5A1 LEU 515 HD13 -1.00 -0.05 -0.04 -0.04 0.93 -0.20 2qx5A1 LEU 515 HD23 -0.19 0.03 -0.10 -0.04 0.89 0.58 2qx5A1 ARG 533 HA 0.05 -0.03 0.15 -0.75 4.34 3.76 2qx5A1 ARG 533 HB2 0.04 0.00 0.06 -0.04 1.90 1.96 2qx5A1 ARG 533 HB3 0.04 0.04 0.06 -0.04 1.80 1.90 2qx5A1 ARG 533 HG2 0.08 -0.01 -0.05 -0.04 1.67 1.65 2qx5A1 ARG 533 HG3 0.11 -0.04 -0.29 -0.04 1.67 1.41 2qx5A1 ARG 533 HD2 0.03 0.02 -0.01 -0.04 3.22 3.22 2qx5A1 ARG 533 HD3 0.05 -0.00 -0.02 -0.04 3.22 3.21 2qx5A1 PHE 534 H 0.22 0.30 0.13 -0.55 8.34 8.44 2qx5A1 PHE 534 HA 0.04 0.09 0.52 -0.75 4.62 4.51 2qx5A1 PHE 534 HB2 0.02 0.03 0.08 -0.04 3.15 3.24 2qx5A1 PHE 534 HB3 0.02 -0.02 0.15 -0.04 3.06 3.17 2qx5A1 PHE 534 HD2 0.03 -0.01 -0.02 -0.04 7.28 7.25 2qx5A1 PHE 534 HE2 0.05 0.11 -0.16 -0.04 7.38 7.34 2qx5A1 PHE 534 HZ 0.09 0.01 -0.07 -0.04 7.32 7.31 2qx5A1 ALA 535 H 0.09 0.18 0.01 -0.55 8.40 8.12 2qx5A1 ALA 535 HA -0.18 0.12 0.35 -0.75 4.34 3.87 2qx5A1 ALA 535 HB3 -0.01 0.04 0.05 -0.04 1.41 1.45 2qx5A1 ASN 536 H 0.02 0.05 -0.61 -0.55 8.53 7.44 2qx5A1 ASN 536 HA 0.00 0.07 0.42 -0.75 4.76 4.50 2qx5A1 ASN 536 HB2 0.02 -0.05 0.01 -0.04 2.88 2.82 2qx5A1 ASN 536 HB3 0.03 0.14 -0.01 -0.04 2.79 2.91 2qx5A1 ASN 536 HD21 -0.00 0.01 -0.03 -0.04 7.03 6.97 2qx5A1 ASN 536 HD22 0.01 0.01 -0.03 -0.04 7.74 7.69 2qx5A1 ILE 537 H 0.06 0.56 -0.09 -0.55 8.25 8.23 2qx5A1 ILE 537 HA 0.13 0.00 0.49 -0.75 4.18 4.05 2qx5A1 ILE 537 HB 0.16 0.13 0.24 -0.04 1.89 2.38 2qx5A1 ILE 537 HG12 0.25 -0.06 -0.00 -0.04 1.49 1.63 2qx5A1 ILE 537 HG13 0.14 0.21 0.07 -0.04 1.21 1.58 2qx5A1 ILE 537 HG23 0.18 -0.02 -0.13 -0.04 0.93 0.92 2qx5A1 ILE 537 HD13 0.22 -0.04 -0.12 -0.04 0.88 0.90 2qx5A1 LEU 538 H -0.09 0.54 -0.21 -0.55 8.37 8.07 2qx5A1 LEU 538 HA 0.12 0.01 0.40 -0.75 4.35 4.12 2qx5A1 LEU 538 HB2 -0.14 0.06 0.03 -0.04 1.64 1.55 2qx5A1 LEU 538 HB3 0.06 0.01 -0.16 -0.04 1.64 1.51 2qx5A1 LEU 538 HG -0.47 0.03 -0.05 -0.04 1.64 1.12 2qx5A1 LEU 538 HD13 -0.76 0.05 -0.16 -0.04 0.93 0.02 2qx5A1 LEU 538 HD23 0.12 -0.01 -0.08 -0.04 0.89 0.88 2qx5A1 ALA 539 H -0.01 0.60 -0.03 -0.55 8.40 8.41 2qx5A1 ALA 539 HA -0.01 0.03 0.41 -0.75 4.34 4.02 2qx5A1 ALA 539 HB3 -0.01 0.01 0.09 -0.04 1.41 1.45 2qx5A1 ASN 540 H 0.04 0.53 -0.29 -0.55 8.53 8.26 2qx5A1 ASN 540 HA -0.00 0.04 0.47 -0.75 4.76 4.51 2qx5A1 ASN 540 HB2 0.09 0.13 0.13 -0.04 2.88 3.19 2qx5A1 ASN 540 HB3 0.06 -0.05 -0.02 -0.04 2.79 2.75 2qx5A1 ASN 540 HD21 -0.00 -0.07 -0.04 -0.04 7.03 6.88 2qx5A1 ASN 540 HD22 0.01 -0.03 -0.04 -0.04 7.74 7.64 2qx5A1 TYR 541 H 0.19 0.48 -0.14 -0.55 8.29 8.26 2qx5A1 TYR 541 HA 0.06 0.00 0.40 -0.75 4.56 4.27 2qx5A1 TYR 541 HB2 0.07 0.02 0.10 -0.04 3.06 3.22 2qx5A1 TYR 541 HB3 0.03 0.13 0.10 -0.04 2.98 3.19 2qx5A1 TYR 541 HD2 -0.07 0.04 -0.09 -0.04 7.15 6.98 2qx5A1 TYR 541 HE2 -0.38 -0.05 -0.07 -0.04 6.85 6.31 2qx5A1 THR 542 H -0.07 0.38 -0.61 -0.55 8.28 7.43 2qx5A1 THR 542 HA -1.29 -0.03 0.37 -0.75 4.39 2.69 2qx5A1 THR 542 HB -0.14 0.27 0.14 -0.04 4.32 4.55 2qx5A1 THR 542 HG23 -0.32 -0.03 -0.17 -0.04 1.22 0.66 2qx5A1 LYS 543 H -0.19 0.43 -0.30 -0.55 8.42 7.81 2qx5A1 LYS 543 HA -0.18 0.01 0.19 -0.75 4.32 3.59 2qx5A1 LYS 543 HB2 -0.08 0.17 0.16 -0.04 1.87 2.08 2qx5A1 LYS 543 HB3 -0.06 -0.04 0.02 -0.04 1.79 1.67 2qx5A1 LYS 543 HG2 -0.06 -0.04 0.06 -0.04 1.46 1.37 2qx5A1 LYS 543 HG3 -0.06 0.11 0.16 -0.04 1.46 1.63 2qx5A1 LYS 543 HD2 -0.02 0.03 0.05 -0.04 1.69 1.71 2qx5A1 LYS 543 HD3 -0.02 -0.03 0.02 -0.04 1.68 1.61 2qx5A1 LYS 543 HE2 -0.01 -0.02 -0.02 -0.04 2.99 2.89 2qx5A1 LYS 543 HE3 -0.02 -0.00 -0.03 -0.04 2.99 2.90 2qx5A1 SER 544 H -0.24 0.23 -0.30 -0.55 8.46 7.59 2qx5A1 SER 544 HA -0.07 0.18 0.56 -0.75 4.49 4.41 2qx5A1 SER 544 HB2 -0.07 -0.18 0.20 -0.04 3.95 3.85 2qx5A1 SER 544 HB3 -0.06 0.28 0.16 -0.04 3.93 4.27 2qx5A1 PHE 545 H -0.63 0.48 -0.06 -0.55 8.34 7.58 2qx5A1 PHE 545 HA -0.15 0.14 0.90 -0.75 4.62 4.75 2qx5A1 PHE 545 HB2 -0.24 -0.02 0.10 -0.04 3.15 2.94 2qx5A1 PHE 545 HB3 -0.62 -0.07 -0.06 -0.04 3.06 2.28 2qx5A1 PHE 545 HD2 -0.22 -0.06 -0.08 -0.04 7.28 6.87 2qx5A1 PHE 545 HE2 -0.61 0.01 -0.39 -0.04 7.38 6.35 2qx5A1 PHE 545 HZ -0.26 0.01 -0.20 -0.04 7.32 6.83 2qx5A1 ARG 546 H -0.33 0.34 -0.20 -0.55 8.46 7.72 2qx5A1 ARG 546 HA -0.27 0.02 0.30 -0.75 4.34 3.63 2qx5A1 ARG 546 HB2 -0.37 0.23 -0.06 -0.04 1.90 1.65 2qx5A1 ARG 546 HB3 -0.39 0.02 -0.02 -0.04 1.80 1.37 2qx5A1 ARG 546 HG2 -0.51 0.01 -0.12 -0.04 1.67 1.00 2qx5A1 ARG 546 HG3 -0.29 -0.06 -0.03 -0.04 1.67 1.24 2qx5A1 ARG 546 HD2 -0.24 -0.02 -0.20 -0.04 3.22 2.72 2qx5A1 ARG 546 HD3 -0.25 0.04 -0.07 -0.04 3.22 2.90 2qx5A1 TYR 547 H 0.07 0.10 -0.21 -0.55 8.29 7.71 2qx5A1 TYR 547 HA -0.04 0.20 0.68 -0.75 4.56 4.64 2qx5A1 TYR 547 HB2 -0.05 -0.02 0.03 -0.04 3.06 2.98 2qx5A1 TYR 547 HB3 -0.04 0.04 0.01 -0.04 2.98 2.95 2qx5A1 TYR 547 HD2 -0.07 0.01 0.04 -0.04 7.15 7.09 2qx5A1 TYR 547 HE2 -0.06 0.23 0.01 -0.04 6.85 6.99 2qx5A1 SER 548 H 0.09 0.00 -0.21 -0.55 8.46 7.80 2qx5A1 SER 548 HA 0.06 0.17 0.56 -0.75 4.49 4.52 2qx5A1 SER 548 HB2 0.03 0.01 0.09 -0.04 3.95 4.04 2qx5A1 SER 548 HB3 0.04 0.01 0.05 -0.04 3.93 3.98 2qx5A1 ASP 549 H 0.12 0.30 -0.42 -0.55 8.40 7.85 2qx5A1 ASP 549 HA 0.11 0.16 0.69 -0.75 4.63 4.84 2qx5A1 ASP 549 HB2 0.38 0.11 0.15 -0.04 2.71 3.31 2qx5A1 ASP 549 HB3 0.23 -0.20 0.16 -0.04 2.70 2.85 2qx5A1 PRO 550 HA 0.03 0.16 0.43 -0.51 4.44 4.56 2qx5A1 PRO 550 HB2 0.02 -0.05 -0.05 -0.04 2.28 2.16 2qx5A1 PRO 550 HB3 -0.03 0.04 0.08 -0.04 2.02 2.07 2qx5A1 PRO 550 HG2 -0.00 -0.01 0.03 -0.04 2.03 2.01 2qx5A1 PRO 550 HG3 -0.03 0.22 0.06 -0.04 2.03 2.24 2qx5A1 PRO 550 HD2 0.05 0.05 -0.01 -0.04 3.68 3.73 2qx5A1 PRO 550 HD3 0.05 0.21 -0.49 -0.04 3.65 3.38 2qx5A1 ARG 551 H 0.09 0.15 -0.28 -0.55 8.46 7.86 2qx5A1 ARG 551 HA 0.10 0.09 0.52 -0.75 4.34 4.30 2qx5A1 ARG 551 HB2 0.06 0.01 -0.02 -0.04 1.90 1.91 2qx5A1 ARG 551 HB3 0.08 0.05 -0.02 -0.04 1.80 1.87 2qx5A1 ARG 551 HG2 0.06 -0.00 -0.04 -0.04 1.67 1.64 2qx5A1 ARG 551 HG3 0.05 -0.02 -0.01 -0.04 1.67 1.65 2qx5A1 ARG 551 HD2 0.02 0.02 -0.03 -0.04 3.22 3.19 2qx5A1 ARG 551 HD3 0.05 0.03 -0.02 -0.04 3.22 3.24 2qx5A1 VAL 552 H 0.19 0.24 -0.19 -0.55 8.24 7.93 2qx5A1 VAL 552 HA 0.21 0.10 0.54 -0.75 4.13 4.22 2qx5A1 VAL 552 HB 0.28 0.14 0.08 -0.04 2.12 2.58 2qx5A1 VAL 552 HG13 -0.08 -0.01 -0.06 -0.04 0.97 0.79 2qx5A1 VAL 552 HG23 0.03 -0.01 -0.02 -0.04 0.95 0.92 2qx5A1 ALA 553 H 0.36 0.46 -0.14 -0.55 8.40 8.54 2qx5A1 ALA 553 HA 0.44 0.01 0.33 -0.75 4.34 4.37 2qx5A1 ALA 553 HB3 0.01 0.05 0.05 -0.04 1.41 1.49 2qx5A1 VAL 554 H 0.17 0.35 -0.39 -0.55 8.24 7.81 2qx5A1 VAL 554 HA 0.10 0.03 0.29 -0.75 4.13 3.79 2qx5A1 VAL 554 HB 0.11 0.09 0.09 -0.04 2.12 2.38 2qx5A1 VAL 554 HG13 0.08 -0.01 -0.26 -0.04 0.97 0.74 2qx5A1 VAL 554 HG23 0.07 0.01 -0.00 -0.04 0.95 0.98 2qx5A1 GLU 555 H 0.20 0.31 -0.38 -0.55 8.60 8.19 2qx5A1 GLU 555 HA 0.05 0.06 0.36 -0.75 4.29 4.01 2qx5A1 GLU 555 HB2 0.20 0.11 0.18 -0.04 2.09 2.54 2qx5A1 GLU 555 HB3 0.09 -0.00 -0.02 -0.04 1.99 2.02 2qx5A1 GLU 555 HG2 0.25 -0.03 -0.06 -0.04 2.34 2.46 2qx5A1 GLU 555 HG3 0.00 0.00 -0.12 -0.04 2.34 2.18 2qx5A1 TYR 556 H 0.45 0.47 -0.17 -0.55 8.29 8.49 2qx5A1 TYR 556 HA 0.14 0.06 0.48 -0.75 4.56 4.48 2qx5A1 TYR 556 HB2 0.32 0.11 0.05 -0.04 3.06 3.50 2qx5A1 TYR 556 HB3 0.22 -0.04 -0.05 -0.04 2.98 3.07 2qx5A1 TYR 556 HD2 0.22 0.16 -0.03 -0.04 7.15 7.45 2qx5A1 TYR 556 HE2 -0.08 -0.04 -0.07 -0.04 6.85 6.62 2qx5A1 LEU 557 H 0.18 0.48 -0.23 -0.55 8.37 8.26 2qx5A1 LEU 557 HA 0.05 0.01 0.37 -0.75 4.35 4.02 2qx5A1 LEU 557 HB2 0.08 0.08 0.02 -0.04 1.64 1.78 2qx5A1 LEU 557 HB3 0.05 -0.03 -0.00 -0.04 1.64 1.61 2qx5A1 LEU 557 HG 0.09 0.21 -0.02 -0.04 1.64 1.87 2qx5A1 LEU 557 HD13 0.03 -0.03 -0.23 -0.04 0.93 0.65 2qx5A1 LEU 557 HD23 0.02 -0.02 -0.11 -0.04 0.89 0.73 2qx5A1 VAL 558 H 0.06 0.37 -0.41 -0.55 8.24 7.71 2qx5A1 VAL 558 HA 0.02 0.06 0.41 -0.75 4.13 3.86 2qx5A1 VAL 558 HB -0.01 0.13 0.11 -0.04 2.12 2.32 2qx5A1 VAL 558 HG13 -0.06 -0.01 -0.11 -0.04 0.97 0.75 2qx5A1 VAL 558 HG23 0.03 0.03 -0.01 -0.04 0.95 0.95 2qx5A1 LEU 559 H 0.01 0.25 -0.49 -0.55 8.37 7.60 2qx5A1 LEU 559 HA 0.03 0.08 0.46 -0.75 4.35 4.16 2qx5A1 LEU 559 HB2 0.02 0.32 0.07 -0.04 1.64 2.01 2qx5A1 LEU 559 HB3 0.20 -0.10 -0.00 -0.04 1.64 1.70 2qx5A1 LEU 559 HG -0.03 0.17 0.06 -0.04 1.64 1.80 2qx5A1 LEU 559 HD13 0.02 -0.04 0.00 -0.04 0.93 0.87 2qx5A1 LEU 559 HD23 0.19 -0.01 -0.01 -0.04 0.89 1.02 2qx5A1 ILE 560 H -0.02 0.46 -0.55 -0.55 8.25 7.59 2qx5A1 ILE 560 HA -0.12 -0.08 0.30 -0.75 4.18 3.53 2qx5A1 ILE 560 HB -0.02 0.20 0.13 -0.04 1.89 2.16 2qx5A1 ILE 560 HG12 -0.21 -0.15 0.03 -0.04 1.49 1.11 2qx5A1 ILE 560 HG13 -0.08 0.12 0.13 -0.04 1.21 1.34 2qx5A1 ILE 560 HG23 -0.02 -0.04 -0.04 -0.04 0.93 0.79 2qx5A1 ILE 560 HD13 -0.04 -0.02 0.00 -0.04 0.88 0.78 2qx5A1 THR 561 H 0.04 0.37 -0.37 -0.55 8.28 7.76 2qx5A1 THR 561 HA 0.01 0.14 0.46 -0.75 4.39 4.25 2qx5A1 THR 561 HB 0.15 -0.05 0.08 -0.04 4.32 4.46 2qx5A1 THR 561 HG23 0.04 -0.03 0.05 -0.04 1.22 1.24 2qx5A1 LEU 562 H 0.15 0.49 -0.67 -0.55 8.37 7.79 2qx5A1 LEU 562 HA 0.08 0.02 0.41 -0.75 4.35 4.11 2qx5A1 LEU 562 HB2 0.33 0.47 0.18 -0.04 1.64 2.58 2qx5A1 LEU 562 HB3 0.21 -0.14 -0.07 -0.04 1.64 1.60 2qx5A1 LEU 562 HG 0.13 0.02 -0.11 -0.04 1.64 1.64 2qx5A1 LEU 562 HD13 0.14 0.00 0.05 -0.04 0.93 1.08 2qx5A1 LEU 562 HD23 0.29 -0.05 -0.04 -0.04 0.89 1.05 2qx5A1 ASN 563 H 0.12 0.25 -0.24 -0.55 8.53 8.11 2qx5A1 ASN 563 HA -0.00 0.13 0.82 -0.75 4.76 4.95 2qx5A1 ASN 563 HB2 0.06 0.02 0.15 -0.04 2.88 3.07 2qx5A1 ASN 563 HB3 0.01 -0.11 0.08 -0.04 2.79 2.73 2qx5A1 ASN 563 HD21 -0.06 -0.04 0.03 -0.04 7.03 6.92 2qx5A1 ASN 563 HD22 0.14 -0.05 0.07 -0.04 7.74 7.87 2qx5A1 GLU 564 H -0.05 0.12 0.10 -0.55 8.60 8.22 2qx5A1 GLU 564 HA -0.22 0.29 0.40 -0.75 4.29 4.01 2qx5A1 GLU 564 HB2 -0.09 -0.06 0.09 -0.04 2.09 1.99 2qx5A1 GLU 564 HB3 -0.19 -0.03 0.14 -0.04 1.99 1.87 2qx5A1 GLU 564 HG2 -0.37 0.13 -0.05 -0.04 2.34 2.00 2qx5A1 GLU 564 HG3 -0.08 0.08 -0.06 -0.04 2.34 2.24 2qx5A1 GLY 565 H -0.05 -0.00 -0.37 -0.55 8.43 7.46 2qx5A1 GLY 565 HA2 -0.04 0.13 0.43 -0.51 4.01 4.02 2qx5A1 GLY 565 HA3 -0.03 -0.08 0.31 -0.51 4.01 3.70 2qx5A1 PRO 566 HA -0.05 0.19 0.46 -0.51 4.44 4.53 2qx5A1 PRO 566 HB2 -0.02 0.01 0.03 -0.04 2.28 2.26 2qx5A1 PRO 566 HB3 -0.02 0.10 0.15 -0.04 2.02 2.21 2qx5A1 PRO 566 HG2 -0.02 -0.01 0.09 -0.04 2.03 2.05 2qx5A1 PRO 566 HG3 -0.02 0.08 0.11 -0.04 2.03 2.17 2qx5A1 PRO 566 HD2 -0.02 0.02 0.25 -0.04 3.68 3.89 2qx5A1 PRO 566 HD3 -0.03 0.23 0.25 -0.04 3.65 4.05 2qx5A1 THR 567 H -0.02 0.08 -0.26 -0.55 8.28 7.53 2qx5A1 THR 567 HA -0.02 0.14 0.50 -0.75 4.39 4.26 2qx5A1 THR 567 HB -0.01 0.04 0.08 -0.04 4.32 4.39 2qx5A1 THR 567 HG23 -0.01 -0.00 0.02 -0.04 1.22 1.19 2qx5A1 ASP 568 H -0.03 0.20 -0.16 -0.55 8.40 7.87 2qx5A1 ASP 568 HA -0.02 0.03 0.64 -0.75 4.63 4.52 2qx5A1 ASP 568 HB2 0.01 0.02 0.15 -0.04 2.71 2.85 2qx5A1 ASP 568 HB3 0.02 -0.08 0.06 -0.04 2.70 2.66 2qx5A1 VAL 569 H -0.09 0.27 -0.33 -0.55 8.24 7.54 2qx5A1 VAL 569 HA -0.18 0.17 0.68 -0.75 4.13 4.04 2qx5A1 VAL 569 HB -0.13 0.00 0.07 -0.04 2.12 2.03 2qx5A1 VAL 569 HG13 -0.27 0.04 -0.05 -0.04 0.97 0.65 2qx5A1 VAL 569 HG23 -0.12 0.09 -0.05 -0.04 0.95 0.83 2qx5A1 GLU 570 H -0.11 0.30 -0.22 -0.55 8.60 8.03 2qx5A1 GLU 570 HA -0.12 0.05 0.57 -0.75 4.29 4.04 2qx5A1 LEU 571 H -0.05 0.27 -0.13 -0.55 8.37 7.91 2qx5A1 LEU 571 HA -0.00 0.03 0.45 -0.75 4.35 4.07 2qx5A1 LEU 571 HB2 -0.03 0.13 0.13 -0.04 1.64 1.83 2qx5A1 LEU 571 HB3 -0.01 -0.04 -0.00 -0.04 1.64 1.55 2qx5A1 LEU 571 HG -0.01 0.20 0.08 -0.04 1.64 1.87 2qx5A1 LEU 571 HD13 0.01 -0.04 -0.01 -0.04 0.93 0.84 2qx5A1 LEU 571 HD23 0.00 -0.01 -0.01 -0.04 0.89 0.83 2qx5A1 CYS 572 H -0.10 0.34 -0.53 -0.55 8.50 7.66 2qx5A1 CYS 572 HA -0.00 0.02 0.39 -0.75 4.58 4.24 2qx5A1 CYS 572 HB2 -0.05 0.03 0.09 -0.04 2.97 3.01 2qx5A1 CYS 572 HB3 -0.16 0.17 0.15 -0.04 2.97 3.09 2qx5A1 HIS 573 H -0.21 0.55 -0.05 -0.55 8.41 8.14 2qx5A1 HIS 573 HA 0.14 0.03 0.46 -0.75 4.63 4.50 2qx5A1 HIS 573 HB2 0.08 0.05 0.13 -0.04 3.26 3.48 2qx5A1 HIS 573 HB3 0.30 -0.08 0.03 -0.04 3.20 3.41 2qx5A1 HIS 573 HD2 -0.18 -0.08 -0.06 -0.04 6.97 6.60 2qx5A1 HIS 573 HE1 -0.13 -0.01 -0.06 -0.04 7.75 7.50 2qx5A1 GLU 574 H 0.10 0.63 -0.21 -0.55 8.60 8.58 2qx5A1 GLU 574 HA 0.10 -0.01 0.40 -0.75 4.29 4.02 2qx5A1 GLU 574 HB2 0.04 0.15 0.15 -0.04 2.09 2.38 2qx5A1 GLU 574 HB3 0.04 -0.05 -0.02 -0.04 1.99 1.92 2qx5A1 GLU 574 HG2 0.07 0.11 0.05 -0.04 2.34 2.53 2qx5A1 GLU 574 HG3 0.04 -0.04 -0.01 -0.04 2.34 2.29 2qx5A1 ALA 575 H 0.06 0.49 -0.32 -0.55 8.40 8.08 2qx5A1 ALA 575 HA 0.02 0.01 0.37 -0.75 4.34 3.99 2qx5A1 ALA 575 HB3 0.02 0.04 0.09 -0.04 1.41 1.51 2qx5A1 LEU 576 H 0.11 0.48 -0.24 -0.55 8.37 8.17 2qx5A1 LEU 576 HA 0.06 0.02 0.47 -0.75 4.35 4.14 2qx5A1 LEU 576 HB2 0.22 0.13 0.17 -0.04 1.64 2.12 2qx5A1 LEU 576 HB3 0.16 -0.08 -0.03 -0.04 1.64 1.65 2qx5A1 LEU 576 HG 0.10 0.09 -0.04 -0.04 1.64 1.75 2qx5A1 LEU 576 HD13 0.15 0.00 -0.11 -0.04 0.93 0.93 2qx5A1 LEU 576 HD23 0.09 -0.02 -0.03 -0.04 0.89 0.89 2qx5A1 ARG 577 H 0.11 0.75 -0.03 -0.55 8.46 8.74 2qx5A1 ARG 577 HA 0.02 -0.01 0.49 -0.75 4.34 4.08 2qx5A1 ARG 577 HB2 0.06 0.13 0.18 -0.04 1.90 2.22 2qx5A1 ARG 577 HB3 0.02 -0.05 0.00 -0.04 1.80 1.73 2qx5A1 ARG 577 HG2 -0.04 -0.07 0.04 -0.04 1.67 1.56 2qx5A1 ARG 577 HG3 0.11 0.17 0.04 -0.04 1.67 1.95 2qx5A1 ARG 577 HD2 0.07 0.00 -0.05 -0.04 3.22 3.21 2qx5A1 ARG 577 HD3 0.01 -0.02 -0.02 -0.04 3.22 3.14 2qx5A1 GLU 578 H 0.03 0.57 -0.22 -0.55 8.60 8.43 2qx5A1 GLU 578 HA 0.01 -0.02 0.34 -0.75 4.29 3.87 2qx5A1 GLU 578 HB2 0.00 0.12 0.09 -0.04 2.09 2.27 2qx5A1 GLU 578 HB3 -0.01 -0.04 0.03 -0.04 1.99 1.93 2qx5A1 GLU 578 HG2 0.01 -0.06 0.01 -0.04 2.34 2.26 2qx5A1 GLU 578 HG3 0.02 0.15 0.07 -0.04 2.34 2.54 2qx5A1 LEU 579 H 0.00 0.30 -0.50 -0.55 8.37 7.63 2qx5A1 LEU 579 HA -0.10 0.06 0.58 -0.75 4.35 4.14 2qx5A1 LEU 579 HB2 -0.03 0.09 0.10 -0.04 1.64 1.77 2qx5A1 LEU 579 HB3 0.00 0.12 0.18 -0.04 1.64 1.90 2qx5A1 LEU 579 HG -0.06 -0.08 -0.21 -0.04 1.64 1.25 2qx5A1 LEU 579 HD13 -0.16 0.01 0.03 -0.04 0.93 0.78 2qx5A1 LEU 579 HD23 0.01 0.01 -0.05 -0.04 0.89 0.82 2qx5A1 VAL 580 H 0.01 0.55 -0.03 -0.55 8.24 8.23 2qx5A1 VAL 580 HA -0.02 -0.08 0.32 -0.75 4.13 3.60 2qx5A1 VAL 580 HB 0.14 -0.09 -0.02 -0.04 2.12 2.10 2qx5A1 VAL 580 HG13 0.03 0.11 0.04 -0.04 0.97 1.12 2qx5A1 VAL 580 HG23 0.08 0.04 -0.06 -0.04 0.95 0.98 2qx5A1 LEU 581 H 0.03 0.64 -0.02 -0.55 8.37 8.47 2qx5A1 LEU 581 HA 0.11 0.01 0.36 -0.75 4.35 4.07 2qx5A1 LEU 581 HB2 0.02 0.11 0.08 -0.04 1.64 1.82 2qx5A1 LEU 581 HB3 0.03 0.01 -0.07 -0.04 1.64 1.57 2qx5A1 LEU 581 HG 0.04 -0.01 0.01 -0.04 1.64 1.64 2qx5A1 LEU 581 HD13 0.04 0.01 -0.01 -0.04 0.93 0.92 2qx5A1 LEU 581 HD23 0.01 -0.01 -0.07 -0.04 0.89 0.78 2qx5A1 GLU 582 H -0.01 0.36 -0.33 -0.55 8.60 8.07 2qx5A1 GLU 582 HA 0.05 0.11 0.59 -0.75 4.29 4.28 2qx5A1 GLU 582 HB2 -0.04 0.23 0.13 -0.04 2.09 2.37 2qx5A1 GLU 582 HB3 0.10 -0.06 0.05 -0.04 1.99 2.04 2qx5A1 GLU 582 HG2 0.04 -0.03 -0.01 -0.04 2.34 2.30 2qx5A1 GLU 582 HG3 0.02 -0.09 -0.03 -0.04 2.34 2.20 2qx5A1 THR 583 H -0.09 0.44 -0.09 -0.55 8.28 7.99 2qx5A1 THR 583 HA 0.10 0.20 0.96 -0.75 4.39 4.91 2qx5A1 THR 583 HB -0.13 -0.03 0.11 -0.04 4.32 4.23 2qx5A1 THR 583 HG23 -0.55 0.06 -0.05 -0.04 1.22 0.64 2qx5A1 LYS 584 H -0.20 0.59 0.06 -0.55 8.42 8.31 2qx5A1 LYS 584 HA -1.18 0.08 0.33 -0.75 4.32 2.79 2qx5A1 LYS 584 HB2 -0.30 0.12 -0.01 -0.04 1.87 1.64 2qx5A1 LYS 584 HB3 -0.69 -0.12 0.16 -0.04 1.79 1.10 2qx5A1 LYS 584 HG2 -0.05 0.15 -0.03 -0.04 1.46 1.49 2qx5A1 LYS 584 HG3 -0.08 -0.01 -0.66 -0.04 1.46 0.68 2qx5A1 LYS 584 HD2 -0.01 -0.02 -0.09 -0.04 1.69 1.52 2qx5A1 LYS 584 HD3 0.06 -0.11 -0.01 -0.04 1.68 1.58 2qx5A1 LYS 584 HE2 0.08 0.03 0.03 -0.04 2.99 3.09 2qx5A1 LYS 584 HE3 0.03 0.09 -0.01 -0.04 2.99 3.06 2qx5A1 GLU 585 H -0.27 0.12 -0.44 -0.55 8.60 7.47 2qx5A1 GLU 585 HA -0.17 0.15 0.64 -0.75 4.29 4.16 2qx5A1 GLU 585 HB2 -0.07 -0.03 0.12 -0.04 2.09 2.06 2qx5A1 GLU 585 HB3 -0.04 -0.10 0.13 -0.04 1.99 1.93 2qx5A1 GLU 585 HG2 -0.11 0.15 -0.18 -0.04 2.34 2.16 2qx5A1 GLU 585 HG3 -0.05 0.03 0.03 -0.04 2.34 2.31 2qx5A1 PHE 586 H -0.40 0.58 -0.30 -0.55 8.34 7.67 2qx5A1 PHE 586 HA -0.01 0.01 0.14 -0.75 4.62 4.00 2qx5A1 PHE 586 HB2 0.00 -0.01 0.08 -0.04 3.15 3.18 2qx5A1 PHE 586 HB3 -0.02 0.05 -0.07 -0.04 3.06 2.98 2qx5A1 PHE 586 HD2 -0.01 -0.05 -0.04 -0.04 7.28 7.14 2qx5A1 PHE 586 HE2 -0.02 -0.00 -0.04 -0.04 7.38 7.28 2qx5A1 PHE 586 HZ -0.02 0.07 0.02 -0.04 7.32 7.34 2qx5A1 THR 587 H 0.12 0.11 -0.08 -0.55 8.28 7.88 2qx5A1 THR 587 HA 0.08 0.43 0.36 -0.75 4.39 4.51 2qx5A1 THR 587 HB 0.04 -0.08 0.04 -0.04 4.32 4.29 2qx5A1 THR 587 HG23 0.04 0.02 -0.15 -0.04 1.22 1.09 2qx5A1 VAL 588 H 0.03 0.06 -0.21 -0.55 8.24 7.58 2qx5A1 VAL 588 HA 0.04 0.10 0.38 -0.75 4.13 3.89 2qx5A1 VAL 588 HB 0.02 0.07 0.08 -0.04 2.12 2.25 2qx5A1 VAL 588 HG13 0.04 -0.02 -0.20 -0.04 0.97 0.75 2qx5A1 VAL 588 HG23 0.02 0.00 0.01 -0.04 0.95 0.94 2qx5A1 LEU 589 H 0.05 0.61 -0.06 -0.55 8.37 8.42 2qx5A1 LEU 589 HA 0.05 -0.10 0.56 -0.75 4.35 4.11 2qx5A1 LEU 589 HB2 0.07 0.15 0.03 -0.04 1.64 1.85 2qx5A1 LEU 589 HB3 0.06 -0.01 -0.10 -0.04 1.64 1.56 2qx5A1 LEU 589 HG 0.04 -0.01 -0.03 -0.04 1.64 1.60 2qx5A1 LEU 589 HD13 0.02 0.01 -0.11 -0.04 0.93 0.81 2qx5A1 LEU 589 HD23 -0.01 -0.01 -0.15 -0.04 0.89 0.68 2qx5A1 LEU 590 H 0.09 0.87 0.09 -0.55 8.37 8.88 2qx5A1 LEU 590 HA 0.03 0.04 0.65 -0.75 4.35 4.32 2qx5A1 LEU 590 HB2 0.10 0.12 0.08 -0.04 1.64 1.89 2qx5A1 LEU 590 HB3 0.00 0.01 -0.04 -0.04 1.64 1.57 2qx5A1 LEU 590 HG -0.04 0.01 -0.04 -0.04 1.64 1.53 2qx5A1 LEU 590 HD13 0.04 -0.00 -0.24 -0.04 0.93 0.69 2qx5A1 LEU 590 HD23 -0.01 -0.01 -0.10 -0.04 0.89 0.73 2qx5A1 GLY 591 H 0.06 0.32 -0.03 -0.55 8.43 8.23 2qx5A1 GLY 591 HA2 0.04 0.16 0.18 -0.51 4.01 3.89 2qx5A1 GLY 591 HA3 0.04 0.03 0.52 -0.51 4.01 4.09 2qx5A1 LYS 592 H 0.04 0.51 0.25 -0.55 8.42 8.66 2qx5A1 LYS 592 HA 0.04 0.09 0.58 -0.75 4.32 4.27 2qx5A1 LYS 592 HB2 0.04 0.04 -0.12 -0.04 1.87 1.79 2qx5A1 LYS 592 HB3 0.03 0.02 -0.14 -0.04 1.79 1.66 2qx5A1 LYS 592 HG2 0.03 0.14 -0.21 -0.04 1.46 1.38 2qx5A1 LYS 592 HG3 0.03 -0.04 0.04 -0.04 1.46 1.46 2qx5A1 LYS 592 HD2 0.02 -0.01 -0.07 -0.04 1.69 1.59 2qx5A1 LYS 592 HD3 0.03 -0.04 -0.08 -0.04 1.68 1.54 2qx5A1 LYS 592 HE2 0.02 -0.00 -0.24 -0.04 2.99 2.73 2qx5A1 LYS 592 HE3 0.02 -0.03 -0.10 -0.04 2.99 2.83 2qx5A1 ILE 593 H 0.04 0.16 0.09 -0.55 8.25 8.00 2qx5A1 ILE 593 HA 0.06 0.15 0.68 -0.75 4.18 4.32 2qx5A1 ILE 593 HB 0.06 -0.04 0.02 -0.04 1.89 1.89 2qx5A1 ILE 593 HG12 0.07 -0.09 -0.18 -0.04 1.49 1.25 2qx5A1 ILE 593 HG13 0.15 0.01 -0.21 -0.04 1.21 1.13 2qx5A1 ILE 593 HG23 0.13 0.06 -0.30 -0.04 0.93 0.77 2qx5A1 ILE 593 HD13 0.09 0.04 -0.29 -0.04 0.88 0.68 2qx5A1 GLY 594 H 0.04 0.65 0.17 -0.55 8.43 8.74 2qx5A1 GLY 594 HA2 0.01 0.14 0.68 -0.51 4.01 4.33 2qx5A1 GLY 594 HA3 0.02 0.03 0.33 -0.51 4.01 3.88 2qx5A1 ARG 595 H -0.00 0.17 0.12 -0.55 8.46 8.19 2qx5A1 ARG 595 HA -0.03 0.13 0.26 -0.75 4.34 3.94 2qx5A1 ARG 595 HB2 -0.01 -0.03 0.09 -0.04 1.90 1.91 2qx5A1 ARG 595 HB3 -0.02 0.07 0.05 -0.04 1.80 1.86 2qx5A1 ARG 595 HG2 -0.04 0.04 0.02 -0.04 1.67 1.64 2qx5A1 ARG 595 HG3 -0.02 -0.03 0.05 -0.04 1.67 1.64 2qx5A1 ARG 595 HD2 -0.02 -0.01 0.00 -0.04 3.22 3.15 2qx5A1 ARG 595 HD3 -0.02 0.04 -0.00 -0.04 3.22 3.19 2qx5A1 ASP 596 H 0.01 -0.02 -0.51 -0.55 8.40 7.34 2qx5A1 ASP 596 HA 0.01 0.25 0.80 -0.75 4.63 4.93 2qx5A1 ASP 596 HB2 0.02 0.04 0.13 -0.04 2.71 2.86 2qx5A1 ASP 596 HB3 0.01 0.01 0.03 -0.04 2.70 2.71 2qx5A1 GLY 597 H 0.04 0.64 -0.18 -0.55 8.43 8.38 2qx5A1 GLY 597 HA2 0.14 0.03 0.23 -0.51 4.01 3.90 2qx5A1 GLY 597 HA3 0.09 0.15 0.58 -0.51 4.01 4.32 2qx5A1 ALA 598 H 0.05 -0.05 -0.35 -0.55 8.40 7.50 2qx5A1 ALA 598 HA 0.06 0.15 0.57 -0.75 4.34 4.36 2qx5A1 ALA 598 HB3 0.03 0.02 -0.03 -0.04 1.41 1.39 2qx5A1 ARG 599 H 0.05 0.14 0.16 -0.55 8.46 8.26 2qx5A1 ARG 599 HA 0.05 0.10 0.60 -0.75 4.34 4.33 2qx5A1 ARG 599 HB2 0.05 0.04 0.06 -0.04 1.90 2.01 2qx5A1 ARG 599 HB3 0.04 -0.04 0.10 -0.04 1.80 1.86 2qx5A1 ARG 599 HG2 0.03 -0.06 -0.48 -0.04 1.67 1.13 2qx5A1 ARG 599 HG3 0.04 0.02 -0.12 -0.04 1.67 1.56 2qx5A1 ARG 599 HD2 0.02 0.15 -0.04 -0.04 3.22 3.31 2qx5A1 ARG 599 HD3 0.03 0.04 -0.03 -0.04 3.22 3.22 2qx5A1 ILE 600 H 0.04 0.84 0.41 -0.55 8.25 8.99 2qx5A1 ILE 600 HA 0.03 0.14 0.81 -0.75 4.18 4.40 2qx5A1 ILE 600 HB 0.03 -0.03 0.15 -0.04 1.89 2.00 2qx5A1 ILE 600 HG12 0.02 0.03 -0.03 -0.04 1.49 1.47 2qx5A1 ILE 600 HG13 0.03 -0.00 -0.04 -0.04 1.21 1.15 2qx5A1 ILE 600 HG23 0.02 0.03 -0.10 -0.04 0.93 0.84 2qx5A1 ILE 600 HD13 0.02 -0.03 -0.09 -0.04 0.88 0.74 2qx5A1 PRO 601 HA 0.03 -0.04 0.20 -0.51 4.44 4.13 2qx5A1 PRO 601 HB2 0.03 0.04 -0.04 -0.04 2.28 2.26 2qx5A1 PRO 601 HB3 0.03 -0.02 -0.02 -0.04 2.02 1.97 2qx5A1 PRO 601 HG2 0.02 0.03 0.03 -0.04 2.03 2.07 2qx5A1 PRO 601 HG3 0.02 0.04 0.03 -0.04 2.03 2.08 2qx5A1 PRO 601 HD2 0.02 0.05 0.13 -0.04 3.68 3.85 2qx5A1 PRO 601 HD3 0.03 0.38 0.25 -0.04 3.65 4.26 2qx5A1 GLY 602 H 0.04 0.06 -0.10 -0.55 8.43 7.88 2qx5A1 GLY 602 HA2 0.04 0.25 0.74 -0.51 4.01 4.53 2qx5A1 GLY 602 HA3 0.05 -0.01 -0.07 -0.51 4.01 3.46 2qx5A1 VAL 603 H 0.05 0.62 0.36 -0.55 8.24 8.72 2qx5A1 VAL 603 HA 0.06 0.09 0.32 -0.75 4.13 3.85 2qx5A1 VAL 603 HB 0.07 -0.02 0.11 -0.04 2.12 2.23 2qx5A1 VAL 603 HG13 0.09 0.01 -0.13 -0.04 0.97 0.90 2qx5A1 VAL 603 HG23 0.07 0.02 0.03 -0.04 0.95 1.02 2qx5A1 ILE 604 H 0.06 0.30 0.05 -0.55 8.25 8.11 2qx5A1 ILE 604 HA 0.07 0.08 0.36 -0.75 4.18 3.94 2qx5A1 ILE 604 HB 0.08 0.12 0.04 -0.04 1.89 2.09 2qx5A1 ILE 604 HG12 0.09 0.01 -0.00 -0.04 1.49 1.55 2qx5A1 ILE 604 HG13 0.07 -0.07 0.10 -0.04 1.21 1.27 2qx5A1 ILE 604 HG23 0.18 -0.00 -0.14 -0.04 0.93 0.92 2qx5A1 ILE 604 HD13 0.08 0.00 -0.06 -0.04 0.88 0.86 2qx5A1 GLU 605 H 0.05 0.16 -0.42 -0.55 8.60 7.85 2qx5A1 GLU 605 HA 0.05 0.08 0.49 -0.75 4.29 4.16 2qx5A1 GLU 605 HB2 0.04 -0.03 0.04 -0.04 2.09 2.10 2qx5A1 GLU 605 HB3 0.03 0.06 0.01 -0.04 1.99 2.06 2qx5A1 GLU 605 HG2 0.03 0.03 -0.03 -0.04 2.34 2.33 2qx5A1 GLU 605 HG3 0.04 -0.02 0.06 -0.04 2.34 2.38 2qx5A1 GLU 606 H 0.03 0.33 -0.27 -0.55 8.60 8.15 2qx5A1 GLU 606 HA 0.00 0.04 0.48 -0.75 4.29 4.07 2qx5A1 GLU 606 HB2 0.03 0.16 0.12 -0.04 2.09 2.35 2qx5A1 GLU 606 HB3 0.00 -0.04 -0.01 -0.04 1.99 1.90 2qx5A1 GLU 606 HG2 0.02 -0.05 -0.03 -0.04 2.34 2.25 2qx5A1 GLU 606 HG3 0.03 0.18 -0.06 -0.04 2.34 2.45 2qx5A1 ARG 607 H 0.01 0.32 -0.29 -0.55 8.46 7.95 2qx5A1 ARG 607 HA -0.06 0.14 0.63 -0.75 4.34 4.30 2qx5A1 ARG 607 HB2 0.00 0.04 0.02 -0.04 1.90 1.93 2qx5A1 ARG 607 HB3 -0.04 -0.04 0.12 -0.04 1.80 1.80 2qx5A1 ARG 607 HG2 -0.00 0.05 -0.08 -0.04 1.67 1.60 2qx5A1 ARG 607 HG3 -0.02 -0.02 -0.09 -0.04 1.67 1.50 2qx5A1 ARG 607 HD2 -0.12 0.00 -0.05 -0.04 3.22 3.01 2qx5A1 ARG 607 HD3 -0.09 0.07 -0.22 -0.04 3.22 2.94 2qx5A1 GLN 608 H -0.02 0.36 -0.67 -0.55 8.47 7.60 2qx5A1 GLN 608 HA -0.04 0.04 0.28 -0.75 4.36 3.89 2qx5A1 GLN 608 HB2 0.01 0.12 0.16 -0.04 2.15 2.40 2qx5A1 GLN 608 HB3 -0.02 0.03 0.05 -0.04 2.02 2.04 2qx5A1 GLN 608 HG2 -0.03 -0.07 -0.06 -0.04 2.40 2.20 2qx5A1 GLN 608 HG3 -0.04 -0.05 0.04 -0.04 2.39 2.30 2qx5A1 GLN 608 HE21 0.24 -0.12 0.02 -0.04 6.97 7.07 2qx5A1 GLN 608 HE22 0.22 -0.04 -0.04 -0.04 7.69 7.79 2qx5A1 PRO 609 HA -0.12 0.02 0.51 -0.51 4.44 4.34 2qx5A1 PRO 609 HB2 -0.11 0.05 0.01 -0.04 2.28 2.19 2qx5A1 PRO 609 HB3 -0.09 0.06 0.08 -0.04 2.02 2.03 2qx5A1 PRO 609 HG2 -0.06 0.11 0.07 -0.04 2.03 2.11 2qx5A1 PRO 609 HG3 -0.06 -0.00 0.08 -0.04 2.03 2.01 2qx5A1 PRO 609 HD2 -0.06 0.17 -0.09 -0.04 3.68 3.67 2qx5A1 PRO 609 HD3 -0.04 0.10 0.08 -0.04 3.65 3.75 2qx5A1 LEU 610 H -0.13 0.21 -0.40 -0.55 8.37 7.51 2qx5A1 LEU 610 HA -0.25 0.09 0.34 -0.75 4.35 3.78 2qx5A1 LEU 610 HB2 -0.09 0.11 0.01 -0.04 1.64 1.63 2qx5A1 LEU 610 HB3 -0.09 0.02 0.06 -0.04 1.64 1.60 2qx5A1 LEU 610 HG -0.13 -0.05 -0.03 -0.04 1.64 1.39 2qx5A1 LEU 610 HD13 -0.17 0.02 -0.01 -0.04 0.93 0.73 2qx5A1 LEU 610 HD23 -0.13 -0.00 -0.21 -0.04 0.89 0.50 2qx5A1 LEU 611 H -0.15 0.45 -0.63 -0.55 8.37 7.49 2qx5A1 LEU 611 HA 0.02 0.09 0.42 -0.75 4.35 4.13 2qx5A1 LEU 611 HB2 -0.12 0.23 0.15 -0.04 1.64 1.85 2qx5A1 LEU 611 HB3 -0.15 -0.14 -0.01 -0.04 1.64 1.29 2qx5A1 LEU 611 HG -0.03 0.26 -0.09 -0.04 1.64 1.74 2qx5A1 LEU 611 HD13 -0.07 -0.05 -0.07 -0.04 0.93 0.70 2qx5A1 LEU 611 HD23 0.05 -0.02 -0.09 -0.04 0.89 0.80 2qx5A1 HIS 612 H -0.36 0.34 -0.19 -0.55 8.41 7.66 2qx5A1 HIS 612 HA -0.02 0.04 0.30 -0.75 4.63 4.20 2qx5A1 HIS 612 HB2 -0.03 0.07 -0.08 -0.04 3.26 3.18 2qx5A1 HIS 612 HB3 -0.02 -0.06 0.14 -0.04 3.20 3.22 2qx5A1 HIS 612 HD2 -0.04 0.12 -0.17 -0.04 6.97 6.83 2qx5A1 HIS 612 HE1 -0.02 -0.05 -0.00 -0.04 7.75 7.64 2qx5A1 VAL 613 H -0.07 0.08 -0.18 -0.55 8.24 7.51 2qx5A1 VAL 613 HA -0.04 0.13 0.41 -0.75 4.13 3.87 2qx5A1 VAL 613 HB -0.14 -0.19 -0.05 -0.04 2.12 1.70 2qx5A1 VAL 613 HG13 -0.68 0.02 -0.10 -0.04 0.97 0.17 2qx5A1 VAL 613 HG23 -0.06 0.01 -0.23 -0.04 0.95 0.64 2qx5A1 ARG 614 H 0.01 0.09 0.12 -0.55 8.46 8.13 2qx5A1 ARG 614 HA 0.03 0.19 0.59 -0.75 4.34 4.40 2qx5A1 ARG 614 HB2 0.05 -0.07 0.12 -0.04 1.90 1.96 2qx5A1 ARG 614 HB3 0.03 0.00 0.03 -0.04 1.80 1.82 2qx5A1 ARG 614 HG2 0.04 0.04 0.04 -0.04 1.67 1.75 2qx5A1 ARG 614 HG3 0.06 0.05 0.03 -0.04 1.67 1.77 2qx5A1 ARG 614 HD2 0.06 -0.02 0.03 -0.04 3.22 3.25 2qx5A1 ARG 614 HD3 0.04 -0.02 0.02 -0.04 3.22 3.22 2qx5A1 ASP 615 H 0.03 0.08 -0.10 -0.55 8.40 7.87 2qx5A1 ASP 615 HA 0.02 0.23 0.78 -0.75 4.63 4.90 2qx5A1 ASP 615 HB2 0.03 0.13 -0.16 -0.04 2.71 2.67 2qx5A1 ASP 615 HB3 0.04 -0.13 0.10 -0.04 2.70 2.67 2qx5A1 GLU 616 H 0.01 0.28 0.05 -0.55 8.60 8.39 2qx5A1 GLU 616 HA 0.02 0.09 0.23 -0.75 4.29 3.88 2qx5A1 LYS 617 H 0.02 0.04 -0.22 -0.55 8.42 7.70 2qx5A1 LYS 617 HA 0.03 0.20 0.61 -0.75 4.32 4.41 2qx5A1 LYS 617 HB2 -0.01 -0.02 0.06 -0.04 1.87 1.85 2qx5A1 LYS 617 HB3 -0.02 0.06 0.02 -0.04 1.79 1.81 2qx5A1 LYS 617 HG2 0.01 0.06 -0.03 -0.04 1.46 1.46 2qx5A1 LYS 617 HG3 0.00 -0.07 -0.04 -0.04 1.46 1.32 2qx5A1 LYS 617 HD2 -0.02 0.03 -0.00 -0.04 1.69 1.66 2qx5A1 LYS 617 HD3 -0.00 0.04 -0.01 -0.04 1.68 1.67 2qx5A1 LYS 617 HE2 -0.01 -0.05 0.01 -0.04 2.99 2.89 2qx5A1 LYS 617 HE3 -0.01 0.03 0.00 -0.04 2.99 2.97 2qx5A1 GLU 618 H 0.04 0.07 -0.14 -0.55 8.60 8.03 2qx5A1 GLU 618 HA 0.05 0.13 0.46 -0.75 4.29 4.18 2qx5A1 PHE 619 H 0.16 0.44 -0.19 -0.55 8.34 8.20 2qx5A1 PHE 619 HA -0.04 0.07 0.43 -0.75 4.62 4.32 2qx5A1 PHE 619 HB2 -0.10 -0.07 0.06 -0.04 3.15 3.00 2qx5A1 PHE 619 HB3 -0.07 0.09 0.05 -0.04 3.06 3.10 2qx5A1 PHE 619 HD2 -0.13 -0.00 -0.07 -0.04 7.28 7.03 2qx5A1 PHE 619 HE2 -0.14 0.01 -0.06 -0.04 7.38 7.14 2qx5A1 PHE 619 HZ -0.07 0.02 -0.02 -0.04 7.32 7.20 2qx5A1 LEU 620 H 0.08 0.26 -0.09 -0.55 8.37 8.08 2qx5A1 LEU 620 HA -0.32 0.07 0.52 -0.75 4.35 3.87 2qx5A1 LEU 620 HB2 0.04 0.08 0.11 -0.04 1.64 1.83 2qx5A1 LEU 620 HB3 -0.02 0.06 -0.06 -0.04 1.64 1.58 2qx5A1 LEU 620 HG 0.12 0.04 -0.04 -0.04 1.64 1.72 2qx5A1 LEU 620 HD13 0.03 0.01 -0.02 -0.04 0.93 0.91 2qx5A1 LEU 620 HD23 -0.09 -0.01 -0.07 -0.04 0.89 0.68 2qx5A1 HIS 621 H 0.07 0.30 -0.21 -0.55 8.41 8.02 2qx5A1 HIS 621 HA -0.08 0.08 0.37 -0.75 4.63 4.24 2qx5A1 HIS 621 HB2 -0.04 0.11 0.12 -0.04 3.26 3.42 2qx5A1 HIS 621 HB3 -0.04 -0.00 0.12 -0.04 3.20 3.24 2qx5A1 HIS 621 HD2 -0.04 -0.01 -0.16 -0.04 6.97 6.71 2qx5A1 HIS 621 HE1 -0.05 0.15 0.05 -0.04 7.75 7.86 2qx5A1 THR 622 H -0.06 0.45 -0.33 -0.55 8.28 7.80 2qx5A1 THR 622 HA -0.12 0.03 0.43 -0.75 4.39 3.97 2qx5A1 THR 622 HB -0.10 0.13 0.18 -0.04 4.32 4.50 2qx5A1 THR 622 HG23 -0.06 -0.02 -0.12 -0.04 1.22 0.98 2qx5A1 ILE 623 H -0.30 0.41 -0.11 -0.55 8.25 7.70 2qx5A1 ILE 623 HA -0.18 0.02 0.45 -0.75 4.18 3.72 2qx5A1 ILE 623 HB -0.34 0.11 0.15 -0.04 1.89 1.77 2qx5A1 ILE 623 HG12 -0.22 -0.05 0.04 -0.04 1.49 1.23 2qx5A1 ILE 623 HG13 -0.54 0.09 0.09 -0.04 1.21 0.80 2qx5A1 ILE 623 HG23 -0.13 -0.01 -0.16 -0.04 0.93 0.59 2qx5A1 ILE 623 HD13 -0.47 -0.01 -0.05 -0.04 0.88 0.32 2qx5A1 THR 624 H -0.22 0.57 -0.26 -0.55 8.28 7.82 2qx5A1 THR 624 HA -0.23 -0.02 0.32 -0.75 4.39 3.71 2qx5A1 THR 624 HB -0.24 0.06 0.09 -0.04 4.32 4.19 2qx5A1 THR 624 HG23 -0.20 -0.03 -0.18 -0.04 1.22 0.76 2qx5A1 GLU 625 H -0.38 0.72 0.01 -0.55 8.60 8.40 2qx5A1 GLU 625 HA -0.30 -0.01 0.40 -0.75 4.29 3.62 2qx5A1 GLU 625 HB2 -0.44 0.02 0.13 -0.04 2.09 1.76 2qx5A1 GLU 625 HB3 -0.30 0.12 0.19 -0.04 1.99 1.95 2qx5A1 GLN 626 H -0.18 0.52 -0.34 -0.55 8.47 7.92 2qx5A1 GLN 626 HA -0.10 -0.01 0.42 -0.75 4.36 3.91 2qx5A1 GLN 626 HB2 -0.12 0.16 0.19 -0.04 2.15 2.34 2qx5A1 GLN 626 HB3 -0.07 -0.05 -0.03 -0.04 2.02 1.82 2qx5A1 GLN 626 HG2 -0.06 -0.06 0.02 -0.04 2.40 2.26 2qx5A1 GLN 626 HG3 -0.09 0.11 0.07 -0.04 2.39 2.44 2qx5A1 GLN 626 HE21 -0.02 -0.02 -0.03 -0.04 6.97 6.86 2qx5A1 GLN 626 HE22 -0.03 -0.02 -0.02 -0.04 7.69 7.59 2qx5A1 ALA 627 H -0.17 0.70 0.04 -0.55 8.40 8.42 2qx5A1 ALA 627 HA -0.10 -0.00 0.47 -0.75 4.34 3.95 2qx5A1 ALA 627 HB3 -0.26 0.02 0.07 -0.04 1.41 1.19 2qx5A1 ALA 628 H -0.31 0.48 -0.58 -0.55 8.40 7.44 2qx5A1 ALA 628 HA -0.42 -0.02 0.49 -0.75 4.34 3.63 2qx5A1 ALA 628 HB3 -0.93 0.07 0.02 -0.04 1.41 0.53 2qx5A1 ARG 629 H -0.16 0.52 0.07 -0.55 8.46 8.35 2qx5A1 ARG 629 HA 0.03 0.00 0.48 -0.75 4.34 4.09 2qx5A1 ARG 630 H -0.08 0.44 -0.32 -0.55 8.46 7.96 2qx5A1 ARG 630 HA -0.01 0.04 0.46 -0.75 4.34 4.08 2qx5A1 ARG 630 HB2 -0.03 0.08 0.09 -0.04 1.90 2.00 2qx5A1 ARG 630 HB3 -0.02 0.12 0.08 -0.04 1.80 1.95 2qx5A1 ARG 630 HG2 0.03 -0.01 -0.06 -0.04 1.67 1.59 2qx5A1 ARG 630 HG3 0.01 -0.03 0.03 -0.04 1.67 1.64 2qx5A1 ALA 631 H -0.08 0.48 -0.16 -0.55 8.40 8.10 2qx5A1 ALA 631 HA 0.03 0.02 0.49 -0.75 4.34 4.12 2qx5A1 ALA 631 HB3 -0.06 0.04 0.10 -0.04 1.41 1.46 2qx5A1 ASP 632 H 0.01 0.50 -0.12 -0.55 8.40 8.24 2qx5A1 ASP 632 HA 0.04 0.05 0.47 -0.75 4.63 4.43 2qx5A1 ASP 632 HB2 0.06 -0.02 0.06 -0.04 2.71 2.77 2qx5A1 ASP 632 HB3 0.13 -0.04 0.03 -0.04 2.70 2.78 2qx5A1 GLU 633 H 0.02 0.33 -0.34 -0.55 8.60 8.07 2qx5A1 GLU 633 HA 0.02 0.08 0.66 -0.75 4.29 4.29 2qx5A1 ASP 634 H 0.02 0.34 -0.20 -0.55 8.40 8.02 2qx5A1 ASP 634 HA 0.02 0.11 0.59 -0.75 4.63 4.60 2qx5A1 ASP 634 HB2 0.04 0.02 0.19 -0.04 2.71 2.92 2qx5A1 ASP 634 HB3 0.04 -0.06 0.10 -0.04 2.70 2.74 2qx5A1 GLY 635 H 0.03 0.17 -0.74 -0.55 8.43 7.34 2qx5A1 GLY 635 HA2 0.03 0.04 0.23 -0.51 4.01 3.80 2qx5A1 GLY 635 HA3 0.03 0.08 0.50 -0.51 4.01 4.11 2qx5A1 ARG 636 H 0.05 0.41 -0.19 -0.55 8.46 8.18 2qx5A1 ARG 636 HA 0.08 0.10 0.69 -0.75 4.34 4.46 2qx5A1 ARG 636 HB2 0.08 0.05 0.22 -0.04 1.90 2.21 2qx5A1 ARG 636 HB3 0.12 -0.20 0.12 -0.04 1.80 1.79 2qx5A1 ARG 636 HG2 0.08 -0.01 0.02 -0.04 1.67 1.72 2qx5A1 ARG 636 HG3 0.06 0.13 -0.08 -0.04 1.67 1.75 2qx5A1 ARG 636 HD2 0.14 -0.07 0.04 -0.04 3.22 3.29 2qx5A1 ARG 636 HD3 0.07 0.05 0.01 -0.04 3.22 3.31 2qx5A1 ILE 637 H 0.08 0.38 0.17 -0.55 8.25 8.32 2qx5A1 ILE 637 HA 0.00 0.07 0.13 -0.75 4.18 3.63 2qx5A1 ILE 637 HB -0.02 0.12 0.07 -0.04 1.89 2.02 2qx5A1 ILE 637 HG12 -0.17 0.03 -0.02 -0.04 1.49 1.30 2qx5A1 ILE 637 HG13 -0.21 -0.05 -0.23 -0.04 1.21 0.68 2qx5A1 ILE 637 HG23 -0.08 0.02 0.11 -0.04 0.93 0.93 2qx5A1 ILE 637 HD13 -0.04 0.01 -0.00 -0.04 0.88 0.81 2qx5A1 TYR 638 H 0.23 0.15 0.01 -0.55 8.29 8.13 2qx5A1 TYR 638 HA 0.04 0.08 0.42 -0.75 4.56 4.34 2qx5A1 TYR 638 HB2 0.04 -0.03 0.09 -0.04 3.06 3.12 2qx5A1 TYR 638 HB3 0.04 0.06 0.03 -0.04 2.98 3.07 2qx5A1 TYR 638 HD2 0.02 -0.01 0.07 -0.04 7.15 7.20 2qx5A1 TYR 638 HE2 0.01 -0.02 -0.16 -0.04 6.85 6.64 2qx5A1 ASP 639 H 0.17 0.10 -0.34 -0.55 8.40 7.78 2qx5A1 ASP 639 HA 0.16 0.02 0.43 -0.75 4.63 4.48 2qx5A1 ASP 639 HB2 0.14 0.09 0.12 -0.04 2.71 3.01 2qx5A1 ASP 639 HB3 0.12 0.02 0.03 -0.04 2.70 2.83 2qx5A1 SER 640 H 0.04 0.62 -0.14 -0.55 8.46 8.43 2qx5A1 SER 640 HA -0.10 -0.01 0.31 -0.75 4.49 3.94 2qx5A1 SER 640 HB2 0.05 0.19 0.11 -0.04 3.95 4.26 2qx5A1 SER 640 HB3 0.18 -0.06 -0.10 -0.04 3.93 3.91 2qx5A1 ILE 641 H 0.03 0.55 -0.18 -0.55 8.25 8.09 2qx5A1 ILE 641 HA 0.10 -0.02 0.35 -0.75 4.18 3.86 2qx5A1 ILE 641 HB 0.01 0.11 0.11 -0.04 1.89 2.08 2qx5A1 ILE 641 HG12 0.00 -0.04 -0.05 -0.04 1.49 1.36 2qx5A1 ILE 641 HG13 -0.04 0.11 -0.03 -0.04 1.21 1.22 2qx5A1 ILE 641 HG23 0.03 -0.01 -0.18 -0.04 0.93 0.73 2qx5A1 ILE 641 HD13 -0.15 -0.00 -0.17 -0.04 0.88 0.52 2qx5A1 LEU 642 H 0.05 0.55 -0.11 -0.55 8.37 8.31 2qx5A1 LEU 642 HA 0.04 -0.01 0.43 -0.75 4.35 4.06 2qx5A1 LEU 642 HB2 0.09 0.10 0.16 -0.04 1.64 1.94 2qx5A1 LEU 642 HB3 0.03 0.09 0.17 -0.04 1.64 1.89 2qx5A1 LEU 642 HG 0.06 -0.04 0.04 -0.04 1.64 1.66 2qx5A1 LEU 642 HD13 0.13 -0.02 0.00 -0.04 0.93 1.00 2qx5A1 LEU 642 HD23 0.04 0.01 -0.23 -0.04 0.89 0.67 2qx5A1 LEU 643 H -0.13 0.73 -0.05 -0.55 8.37 8.37 2qx5A1 LEU 643 HA -0.19 0.02 0.42 -0.75 4.35 3.84 2qx5A1 LEU 643 HB2 -0.40 0.07 0.05 -0.04 1.64 1.32 2qx5A1 LEU 643 HB3 -0.44 0.02 -0.09 -0.04 1.64 1.09 2qx5A1 LEU 643 HG -0.49 0.05 -0.01 -0.04 1.64 1.15 2qx5A1 LEU 643 HD13 -0.81 -0.05 -0.37 -0.04 0.93 -0.34 2qx5A1 LEU 643 HD23 -0.60 -0.01 -0.08 -0.04 0.89 0.16 2qx5A1 TYR 644 H -0.05 0.79 -0.05 -0.55 8.29 8.42 2qx5A1 TYR 644 HA -0.09 0.02 0.52 -0.75 4.56 4.25 2qx5A1 TYR 644 HB2 -0.04 0.16 0.06 -0.04 3.06 3.19 2qx5A1 TYR 644 HB3 -0.05 -0.05 0.01 -0.04 2.98 2.85 2qx5A1 TYR 644 HD2 -0.07 0.03 -0.04 -0.04 7.15 7.03 2qx5A1 TYR 644 HE2 -0.06 0.01 -0.05 -0.04 6.85 6.71 2qx5A1 GLN 645 H 0.06 0.45 -0.43 -0.55 8.47 8.01 2qx5A1 GLN 645 HA 0.11 0.01 0.51 -0.75 4.36 4.23 2qx5A1 GLN 645 HB2 0.07 0.17 0.14 -0.04 2.15 2.49 2qx5A1 GLN 645 HB3 0.17 -0.06 -0.06 -0.04 2.02 2.03 2qx5A1 GLN 645 HG2 0.22 -0.10 -0.03 -0.04 2.40 2.44 2qx5A1 GLN 645 HG3 0.10 0.59 0.10 -0.04 2.39 3.15 2qx5A1 GLN 645 HE21 0.00 -0.01 -0.07 -0.04 6.97 6.86 2qx5A1 GLN 645 HE22 0.13 -0.00 -0.07 -0.04 7.69 7.70 2qx5A1 LEU 646 H -0.01 0.48 -0.05 -0.55 8.37 8.24 2qx5A1 LEU 646 HA 0.02 0.02 0.32 -0.75 4.35 3.96 2qx5A1 LEU 646 HB2 -0.08 0.07 0.03 -0.04 1.64 1.62 2qx5A1 LEU 646 HB3 -0.03 -0.01 -0.04 -0.04 1.64 1.52 2qx5A1 LEU 646 HG 0.00 0.06 -0.02 -0.04 1.64 1.65 2qx5A1 LEU 646 HD13 -0.03 0.01 -0.24 -0.04 0.93 0.62 2qx5A1 LEU 646 HD23 0.02 0.02 -0.36 -0.04 0.89 0.53 2qx5A1 ALA 647 H -0.07 0.46 -0.37 -0.55 8.40 7.88 2qx5A1 ALA 647 HA -0.01 0.05 0.50 -0.75 4.34 4.13 2qx5A1 ALA 647 HB3 -0.07 -0.02 0.03 -0.04 1.41 1.31 2qx5A1 GLU 648 H -0.11 0.56 -0.76 -0.55 8.60 7.75 2qx5A1 GLU 648 HA -0.65 0.08 0.29 -0.75 4.29 3.26 2qx5A1 GLU 648 HB2 -0.14 0.18 0.07 -0.04 2.09 2.15 2qx5A1 GLU 648 HB3 -0.45 -0.11 0.26 -0.04 1.99 1.65 2qx5A1 GLU 648 HG2 -0.03 0.02 0.04 -0.04 2.34 2.33 2qx5A1 GLU 648 HG3 -0.03 0.11 -0.17 -0.04 2.34 2.21 2qx5A1 GLU 649 H -0.14 0.61 -0.17 -0.55 8.60 8.35 2qx5A1 GLU 649 HA -0.16 0.14 0.75 -0.75 4.29 4.27 2qx5A1 GLU 649 HB2 0.14 0.09 0.17 -0.04 2.09 2.45 2qx5A1 GLU 649 HB3 -0.10 -0.20 0.15 -0.04 1.99 1.80 2qx5A1 GLU 649 HG2 0.03 0.15 -0.16 -0.04 2.34 2.33 2qx5A1 GLU 649 HG3 0.19 -0.02 0.00 -0.04 2.34 2.46 2qx5A1 TYR 650 H -0.32 0.42 -0.10 -0.55 8.29 7.74 2qx5A1 TYR 650 HA -0.14 0.06 0.04 -0.75 4.56 3.77 2qx5A1 TYR 650 HB2 -0.12 0.04 0.01 -0.04 3.06 2.94 2qx5A1 TYR 650 HB3 -0.31 -0.01 -0.08 -0.04 2.98 2.54 2qx5A1 TYR 650 HD2 -0.58 -0.03 0.01 -0.04 7.15 6.51 2qx5A1 TYR 650 HE2 -0.14 0.03 0.03 -0.04 6.85 6.72 2qx5A1 ASP 651 H 0.07 0.23 -0.06 -0.55 8.40 8.09 2qx5A1 ASP 651 HA 0.08 0.01 0.47 -0.75 4.63 4.44 2qx5A1 ASP 651 HB2 0.05 0.33 0.23 -0.04 2.71 3.28 2qx5A1 ASP 651 HB3 -0.00 0.01 0.05 -0.04 2.70 2.71 2qx5A1 ILE 652 H -0.08 0.20 -0.23 -0.55 8.25 7.58 2qx5A1 ILE 652 HA -0.12 0.03 0.50 -0.75 4.18 3.84 2qx5A1 ILE 652 HB -0.37 0.15 0.08 -0.04 1.89 1.71 2qx5A1 ILE 652 HG12 -0.25 0.01 0.02 -0.04 1.49 1.23 2qx5A1 ILE 652 HG13 -0.17 -0.08 0.02 -0.04 1.21 0.94 2qx5A1 ILE 652 HG23 -0.74 0.00 -0.13 -0.04 0.93 0.02 2qx5A1 ILE 652 HD13 -0.37 0.02 0.01 -0.04 0.88 0.49 2qx5A1 VAL 653 H -0.01 0.50 -0.22 -0.55 8.24 7.97 2qx5A1 VAL 653 HA 0.05 0.01 0.33 -0.75 4.13 3.76 2qx5A1 VAL 653 HB 0.20 0.21 0.06 -0.04 2.12 2.55 2qx5A1 VAL 653 HG13 0.18 -0.02 -0.18 -0.04 0.97 0.91 2qx5A1 VAL 653 HG23 0.14 0.08 -0.21 -0.04 0.95 0.92 2qx5A1 ILE 654 H 0.11 0.45 -0.16 -0.55 8.25 8.10 2qx5A1 ILE 654 HA 0.12 0.03 0.41 -0.75 4.18 3.98 2qx5A1 ILE 654 HB 0.12 0.04 0.10 -0.04 1.89 2.11 2qx5A1 ILE 654 HG12 0.23 0.29 -0.00 -0.04 1.49 1.97 2qx5A1 ILE 654 HG13 0.35 -0.03 -0.11 -0.04 1.21 1.38 2qx5A1 ILE 654 HG23 0.19 -0.03 -0.19 -0.04 0.93 0.86 2qx5A1 ILE 654 HD13 0.27 -0.01 -0.15 -0.04 0.88 0.95 2qx5A1 THR 655 H 0.03 0.54 -0.11 -0.55 8.28 8.19 2qx5A1 THR 655 HA 0.02 -0.03 0.40 -0.75 4.39 4.02 2qx5A1 THR 655 HB -0.04 0.15 0.18 -0.04 4.32 4.56 2qx5A1 THR 655 HG23 -0.02 -0.02 -0.07 -0.04 1.22 1.08 2qx5A1 LEU 656 H -0.02 0.68 -0.12 -0.55 8.37 8.37 2qx5A1 LEU 656 HA -0.02 0.01 0.48 -0.75 4.35 4.07 2qx5A1 LEU 656 HB2 -0.00 0.10 0.08 -0.04 1.64 1.77 2qx5A1 LEU 656 HB3 -0.02 -0.05 -0.01 -0.04 1.64 1.52 2qx5A1 LEU 656 HG -0.08 0.21 0.02 -0.04 1.64 1.75 2qx5A1 LEU 656 HD13 0.06 -0.01 -0.17 -0.04 0.93 0.76 2qx5A1 LEU 656 HD23 -0.03 -0.02 -0.03 -0.04 0.89 0.77 2qx5A1 VAL 657 H 0.01 0.63 -0.13 -0.55 8.24 8.20 2qx5A1 VAL 657 HA -0.04 0.01 0.53 -0.75 4.13 3.87 2qx5A1 VAL 657 HB 0.03 0.09 0.14 -0.04 2.12 2.34 2qx5A1 VAL 657 HG13 -0.00 -0.02 -0.09 -0.04 0.97 0.82 2qx5A1 VAL 657 HG23 -0.00 0.05 -0.02 -0.04 0.95 0.93 2qx5A1 ASN 658 H 0.02 0.66 -0.13 -0.55 8.53 8.54 2qx5A1 ASN 658 HA 0.02 0.01 0.38 -0.75 4.76 4.41 2qx5A1 ASN 658 HB2 0.02 0.14 0.17 -0.04 2.88 3.17 2qx5A1 ASN 658 HB3 0.02 -0.09 -0.01 -0.04 2.79 2.66 2qx5A1 ASN 658 HD21 0.05 0.23 0.05 -0.04 7.03 7.32 2qx5A1 ASN 658 HD22 0.03 -0.08 -0.01 -0.04 7.74 7.64 2qx5A1 SER 659 H -0.01 0.48 -0.16 -0.55 8.46 8.22 2qx5A1 SER 659 HA -0.00 0.03 0.54 -0.75 4.49 4.30 2qx5A1 SER 659 HB2 -0.02 0.10 0.16 -0.04 3.95 4.15 2qx5A1 SER 659 HB3 -0.01 -0.01 -0.01 -0.04 3.93 3.86 2qx5A1 LEU 660 H -0.03 0.55 -0.10 -0.55 8.37 8.24 2qx5A1 LEU 660 HA -0.03 0.03 0.38 -0.75 4.35 3.97 2qx5A1 LEU 660 HB2 -0.13 0.00 0.11 -0.04 1.64 1.58 2qx5A1 LEU 660 HB3 -0.09 0.06 0.19 -0.04 1.64 1.76 2qx5A1 LEU 660 HG -0.06 -0.03 -0.26 -0.04 1.64 1.25 2qx5A1 LEU 660 HD13 -0.07 -0.01 0.06 -0.04 0.93 0.87 2qx5A1 LEU 660 HD23 -0.39 -0.01 -0.07 -0.04 0.89 0.39 2qx5A1 LEU 661 H -0.01 0.73 -0.17 -0.55 8.37 8.38 2qx5A1 LEU 661 HA 0.01 -0.03 0.39 -0.75 4.35 3.97 2qx5A1 LEU 661 HB2 0.01 0.01 0.02 -0.04 1.64 1.64 2qx5A1 LEU 661 HB3 0.01 0.06 0.09 -0.04 1.64 1.76 2qx5A1 LEU 661 HG 0.02 0.04 -0.25 -0.04 1.64 1.41 2qx5A1 LEU 661 HD13 0.02 -0.03 -0.13 -0.04 0.93 0.75 2qx5A1 LEU 661 HD23 0.02 0.01 -0.17 -0.04 0.89 0.71 2qx5A1 SER 662 H 0.01 0.54 -0.10 -0.55 8.46 8.37 2qx5A1 SER 662 HA 0.02 -0.00 0.43 -0.75 4.49 4.18 2qx5A1 SER 662 HB2 0.01 0.01 0.19 -0.04 3.95 4.12 2qx5A1 SER 662 HB3 0.01 0.03 0.22 -0.04 3.93 4.15 2qx5A1 ASP 663 H 0.01 0.57 -0.26 -0.55 8.40 8.17 2qx5A1 ASP 663 HA 0.02 0.03 0.40 -0.75 4.63 4.32 2qx5A1 ASP 663 HB2 0.01 0.10 0.14 -0.04 2.71 2.91 2qx5A1 ASP 663 HB3 0.02 -0.05 -0.01 -0.04 2.70 2.62 2qx5A1 THR 664 H 0.02 0.44 -0.13 -0.55 8.28 8.05 2qx5A1 THR 664 HA 0.03 0.02 0.50 -0.75 4.39 4.18 2qx5A1 THR 664 HB 0.02 0.05 0.17 -0.04 4.32 4.52 2qx5A1 THR 664 HG23 0.03 -0.03 0.00 -0.04 1.22 1.18 2qx5A1 LEU 665 H 0.02 0.57 -0.09 -0.55 8.37 8.33 2qx5A1 LEU 665 HA 0.03 0.01 0.43 -0.75 4.35 4.06 2qx5A1 LEU 665 HB2 0.02 0.11 0.14 -0.04 1.64 1.87 2qx5A1 LEU 665 HB3 0.03 -0.03 0.00 -0.04 1.64 1.59 2qx5A1 LEU 665 HG 0.02 0.17 0.06 -0.04 1.64 1.85 2qx5A1 LEU 665 HD13 0.02 -0.02 -0.07 -0.04 0.93 0.82 2qx5A1 LEU 665 HD23 0.02 -0.02 -0.04 -0.04 0.89 0.80 2qx5A1 SER 666 H 0.03 0.47 -0.10 -0.55 8.46 8.31 2qx5A1 SER 666 HA 0.03 0.02 0.31 -0.75 4.49 4.10 2qx5A1 SER 666 HB2 0.04 0.02 0.15 -0.04 3.95 4.12 2qx5A1 SER 666 HB3 0.03 -0.02 -0.01 -0.04 3.93 3.90 2qx5A1 ALA 667 H 0.03 0.24 -0.49 -0.55 8.40 7.63 2qx5A1 ALA 667 HA 0.03 0.09 0.69 -0.75 4.34 4.40 2qx5A1 ALA 667 HB3 0.03 -0.03 0.07 -0.04 1.41 1.44 2qx5A1 SER 668 H 0.03 0.38 -0.07 -0.55 8.46 8.26 2qx5A1 SER 668 HA 0.03 -0.01 0.76 -0.75 4.49 4.52 2qx5A1 SER 668 HB2 0.02 0.02 0.04 -0.04 3.95 3.99 2qx5A1 SER 668 HB3 0.02 -0.08 0.12 -0.04 3.93 3.95 2qx5A1 ASP 669 H 0.04 0.05 0.15 -0.55 8.40 8.10 2qx5A1 ASP 669 HA 0.06 0.18 0.68 -0.75 4.63 4.79 2qx5A1 ASP 669 HB2 0.06 -0.01 0.13 -0.04 2.71 2.85 2qx5A1 ASP 669 HB3 0.07 -0.14 0.09 -0.04 2.70 2.68 2qx5A1 LEU 670 H 0.10 0.15 0.15 -0.55 8.37 8.22 2qx5A1 LEU 670 HA 0.15 0.16 0.34 -0.75 4.35 4.25 2qx5A1 LEU 670 HB2 0.24 -0.02 0.00 -0.04 1.64 1.81 2qx5A1 LEU 670 HB3 0.27 0.02 0.03 -0.04 1.64 1.92 2qx5A1 LEU 670 HG 0.07 -0.04 0.11 -0.04 1.64 1.74 2qx5A1 LEU 670 HD13 -0.03 -0.00 -0.04 -0.04 0.93 0.82 2qx5A1 LEU 670 HD23 0.02 0.02 -0.05 -0.04 0.89 0.84 2qx5A1 ASP 671 H 0.14 -0.03 -0.30 -0.55 8.40 7.66 2qx5A1 ASP 671 HA 0.23 0.13 0.37 -0.75 4.63 4.61 2qx5A1 GLN 672 H 0.11 0.24 -0.45 -0.55 8.47 7.83 2qx5A1 GLN 672 HA 0.05 0.17 0.83 -0.75 4.36 4.65 2qx5A1 GLN 672 HB2 0.03 0.00 0.08 -0.04 2.15 2.22 2qx5A1 GLN 672 HB3 -0.01 0.05 -0.02 -0.04 2.02 2.00 2qx5A1 GLN 672 HG2 0.07 -0.12 -0.17 -0.04 2.40 2.14 2qx5A1 GLN 672 HG3 0.03 -0.03 -0.01 -0.04 2.39 2.34 2qx5A1 GLN 672 HE21 0.03 -0.02 -0.01 -0.04 6.97 6.93 2qx5A1 GLN 672 HE22 0.03 -0.03 -0.02 -0.04 7.69 7.63 2qx5A1 PRO 673 HA -0.58 0.04 0.36 -0.51 4.44 3.75 2qx5A1 PRO 673 HB2 -0.24 -0.06 -0.13 -0.04 2.28 1.81 2qx5A1 PRO 673 HB3 -0.48 0.05 0.04 -0.04 2.02 1.59 2qx5A1 PRO 673 HG2 -0.23 -0.02 0.05 -0.04 2.03 1.79 2qx5A1 PRO 673 HG3 -1.10 0.09 0.08 -0.04 2.03 1.05 2qx5A1 PRO 673 HD2 -0.12 0.03 0.18 -0.04 3.68 3.73 2qx5A1 PRO 673 HD3 -0.16 0.32 0.28 -0.04 3.65 4.05 2qx5A1 LEU 674 H -0.14 0.13 0.13 -0.55 8.37 7.95 2qx5A1 LEU 674 HA -0.04 0.17 0.44 -0.75 4.35 4.16 2qx5A1 LEU 674 HB2 -0.04 -0.03 0.10 -0.04 1.64 1.63 2qx5A1 LEU 674 HB3 -0.02 -0.11 -0.02 -0.04 1.64 1.45 2qx5A1 LEU 674 HG 0.00 0.08 0.02 -0.04 1.64 1.69 2qx5A1 LEU 674 HD13 0.01 -0.00 0.03 -0.04 0.93 0.93 2qx5A1 LEU 674 HD23 0.01 0.02 -0.02 -0.04 0.89 0.85 2qx5A1 VAL 675 H -0.11 0.15 -0.29 -0.55 8.24 7.44 2qx5A1 VAL 675 HA -0.03 0.08 0.85 -0.75 4.13 4.27 2qx5A1 VAL 675 HB -0.04 0.02 0.04 -0.04 2.12 2.09 2qx5A1 VAL 675 HG13 -0.02 0.04 -0.16 -0.04 0.97 0.79 2qx5A1 VAL 675 HG23 -0.02 -0.03 -0.25 -0.04 0.95 0.61 2qx5A1 GLY 676 H -0.03 0.05 0.09 -0.55 8.43 7.99 2qx5A1 GLY 676 HA2 -0.05 0.23 0.64 -0.51 4.01 4.32 2qx5A1 GLY 676 HA3 -0.03 -0.02 0.37 -0.51 4.01 3.82 2qx5A1 PRO 677 HA -0.01 0.17 0.62 -0.51 4.44 4.70 2qx5A1 PRO 677 HB2 -0.01 0.01 0.02 -0.04 2.28 2.26 2qx5A1 PRO 677 HB3 -0.01 0.05 0.10 -0.04 2.02 2.13 2qx5A1 PRO 677 HG2 -0.01 0.05 0.08 -0.04 2.03 2.12 2qx5A1 PRO 677 HG3 -0.01 0.08 0.06 -0.04 2.03 2.13 2qx5A1 PRO 677 HD2 -0.02 0.07 0.23 -0.04 3.68 3.93 2qx5A1 PRO 677 HD3 -0.02 0.19 0.20 -0.04 3.65 3.97 2qx5A1 ASP 678 H -0.02 0.04 -0.12 -0.55 8.40 7.76 2qx5A1 ASP 678 HA -0.01 0.18 0.52 -0.75 4.63 4.56 2qx5A1 ASP 679 H -0.02 0.00 -0.37 -0.55 8.40 7.47 2qx5A1 ASP 679 HA -0.02 0.00 0.29 -0.75 4.63 4.15 2qx5A1 ASP 679 HB2 -0.02 0.16 0.04 -0.04 2.71 2.86 2qx5A1 ASP 679 HB3 -0.01 -0.03 0.03 -0.04 2.70 2.65 2qx5A1 ASN 680 H -0.01 0.07 0.24 -0.55 8.53 8.27 2qx5A1 ASN 680 HA -0.01 0.30 0.81 -0.75 4.76 5.12 2qx5A1 ASN 680 HB2 -0.01 -0.05 0.15 -0.04 2.88 2.93 2qx5A1 ASN 680 HB3 -0.01 0.25 -0.06 -0.04 2.79 2.92 2qx5A1 ASN 680 HD21 -0.02 0.02 -0.01 -0.04 7.03 6.97 2qx5A1 ASN 680 HD22 -0.02 0.15 -0.02 -0.04 7.74 7.82 2qx5A1 SER 681 H -0.00 0.26 0.10 -0.55 8.46 8.28 2qx5A1 SER 681 HA 0.02 0.02 0.11 -0.75 4.49 3.87 2qx5A1 SER 681 HB2 0.00 0.04 -0.09 -0.04 3.95 3.85 2qx5A1 SER 681 HB3 -0.01 0.10 -0.05 -0.04 3.93 3.93 2qx5A1 GLU 682 H 0.01 0.00 -0.39 -0.55 8.60 7.67 2qx5A1 GLU 682 HA 0.07 0.17 0.60 -0.75 4.29 4.38 2qx5A1 GLU 682 HB2 -0.01 -0.04 0.02 -0.04 2.09 2.02 2qx5A1 GLU 682 HB3 -0.00 0.04 -0.03 -0.04 1.99 1.95 2qx5A1 GLU 682 HG2 0.03 0.02 -0.01 -0.04 2.34 2.33 2qx5A1 GLU 682 HG3 0.03 0.03 -0.06 -0.04 2.34 2.30 2qx5A1 THR 683 H -0.01 0.14 -0.13 -0.55 8.28 7.73 2qx5A1 THR 683 HA -0.37 0.26 0.93 -0.75 4.39 4.46 2qx5A1 THR 683 HB -0.15 0.04 0.04 -0.04 4.32 4.21 2qx5A1 THR 683 HG23 -0.13 -0.01 -0.15 -0.04 1.22 0.89 2qx5A1 ASN 684 H 0.03 0.62 0.20 -0.55 8.53 8.83 2qx5A1 ASN 684 HA 0.06 0.29 0.84 -0.75 4.76 5.20 2qx5A1 ASN 684 HB2 0.01 -0.04 0.09 -0.04 2.88 2.90 2qx5A1 ASN 684 HB3 0.02 -0.02 0.06 -0.04 2.79 2.80 2qx5A1 ASN 684 HD21 -0.00 0.49 0.20 -0.04 7.03 7.68 2qx5A1 ASN 684 HD22 -0.00 -0.06 0.13 -0.04 7.74 7.76 2qx5A1 PRO 685 HA 0.06 0.08 0.32 -0.51 4.44 4.40 2qx5A1 PRO 685 HB2 0.04 0.04 -0.02 -0.04 2.28 2.30 2qx5A1 PRO 685 HB3 0.02 0.04 -0.10 -0.04 2.02 1.94 2qx5A1 PRO 685 HG2 0.07 0.10 0.11 -0.04 2.03 2.27 2qx5A1 PRO 685 HG3 0.16 0.07 0.07 -0.04 2.03 2.29 2qx5A1 PRO 685 HD2 0.07 0.11 0.26 -0.04 3.68 4.07 2qx5A1 PRO 685 HD3 0.15 0.39 0.38 -0.04 3.65 4.53 2qx5A1 VAL 686 H 0.03 0.20 -0.13 -0.55 8.24 7.79 2qx5A1 VAL 686 HA 0.01 0.12 0.52 -0.75 4.13 4.03 2qx5A1 VAL 686 HB 0.01 -0.04 -0.02 -0.04 2.12 2.02 2qx5A1 VAL 686 HG13 0.00 0.01 -0.17 -0.04 0.97 0.78 2qx5A1 VAL 686 HG23 0.01 0.03 0.00 -0.04 0.95 0.95 2qx5A1 LEU 687 H 0.01 0.09 -0.25 -0.55 8.37 7.68 2qx5A1 LEU 687 HA -0.01 0.08 0.39 -0.75 4.35 4.05 2qx5A1 LEU 687 HB2 0.01 0.10 -0.23 -0.04 1.64 1.49 2qx5A1 LEU 687 HB3 -0.00 -0.06 -0.17 -0.04 1.64 1.36 2qx5A1 LEU 687 HG -0.00 -0.04 -0.11 -0.04 1.64 1.45 2qx5A1 LEU 687 HD13 -0.01 -0.01 -0.31 -0.04 0.93 0.56 2qx5A1 LEU 687 HD23 -0.01 0.02 -0.11 -0.04 0.89 0.74 2qx5A1 LEU 688 H 0.03 0.68 -0.20 -0.55 8.37 8.34 2qx5A1 LEU 688 HA 0.00 0.03 0.43 -0.75 4.35 4.06 2qx5A1 LEU 688 HB2 0.10 0.18 -0.03 -0.04 1.64 1.84 2qx5A1 LEU 688 HB3 0.04 -0.01 0.07 -0.04 1.64 1.70 2qx5A1 LEU 688 HG -0.01 -0.12 -0.14 -0.04 1.64 1.33 2qx5A1 LEU 688 HD13 0.09 0.02 -0.02 -0.04 0.93 0.99 2qx5A1 LEU 688 HD23 -0.04 -0.01 -0.12 -0.04 0.89 0.67 2qx5A1 ALA 689 H -0.00 0.56 -0.20 -0.55 8.40 8.22 2qx5A1 ALA 689 HA -0.05 -0.02 0.36 -0.75 4.34 3.88 2qx5A1 ALA 689 HB3 0.00 0.03 0.08 -0.04 1.41 1.47 2qx5A1 ARG 690 H -0.03 0.52 -0.23 -0.55 8.46 8.17 2qx5A1 ARG 690 HA -0.05 0.01 0.43 -0.75 4.34 3.98 2qx5A1 ARG 690 HB2 -0.02 0.11 0.14 -0.04 1.90 2.08 2qx5A1 ARG 690 HB3 -0.03 -0.02 -0.08 -0.04 1.80 1.62 2qx5A1 ARG 690 HG2 -0.01 -0.03 0.00 -0.04 1.67 1.59 2qx5A1 ARG 690 HG3 -0.01 0.00 -0.00 -0.04 1.67 1.62 2qx5A1 ARG 690 HD2 -0.01 -0.01 -0.10 -0.04 3.22 3.06 2qx5A1 ARG 690 HD3 -0.01 -0.01 -0.06 -0.04 3.22 3.10 2qx5A1 ARG 691 H -0.06 0.55 -0.17 -0.55 8.46 8.22 2qx5A1 ARG 691 HA -0.10 0.01 0.45 -0.75 4.34 3.95 2qx5A1 ARG 691 HB2 -0.05 -0.03 0.10 -0.04 1.90 1.87 2qx5A1 ARG 691 HB3 -0.08 0.19 0.15 -0.04 1.80 2.02 2qx5A1 ARG 691 HG2 -0.14 0.01 -0.30 -0.04 1.67 1.21 2qx5A1 ARG 691 HG3 -0.09 -0.05 -0.01 -0.04 1.67 1.48 2qx5A1 ARG 691 HD2 -0.03 -0.07 -0.04 -0.04 3.22 3.03 2qx5A1 ARG 691 HD3 -0.04 0.03 -0.08 -0.04 3.22 3.08 2qx5A1 MET 692 H -0.17 0.57 -0.12 -0.55 8.47 8.21 2qx5A1 MET 692 HA -0.53 0.03 0.39 -0.75 4.52 3.66 2qx5A1 MET 692 HB2 -0.19 0.08 0.08 -0.04 2.15 2.08 2qx5A1 MET 692 HB3 -0.25 -0.07 -0.06 -0.04 2.03 1.61 2qx5A1 MET 692 HG2 -0.11 0.26 -0.00 -0.04 2.63 2.74 2qx5A1 MET 692 HG3 -0.05 -0.04 -0.09 -0.04 2.56 2.34 2qx5A1 MET 692 HE3 0.05 -0.00 -0.11 -0.04 2.10 2.00 2qx5A1 ALA 693 H -0.31 0.67 -0.11 -0.55 8.40 8.10 2qx5A1 ALA 693 HA -1.77 -0.05 0.43 -0.75 4.34 2.19 2qx5A1 ALA 693 HB3 -0.12 0.03 0.07 -0.04 1.41 1.35 2qx5A1 SER 694 H -0.21 0.57 -0.20 -0.55 8.46 8.07 2qx5A1 SER 694 HA -0.07 -0.00 0.33 -0.75 4.49 4.00 2qx5A1 SER 694 HB2 -0.05 -0.05 0.07 -0.04 3.95 3.88 2qx5A1 SER 694 HB3 -0.07 0.06 0.10 -0.04 3.93 3.98 2qx5A1 ILE 695 H -0.28 0.38 -0.27 -0.55 8.25 7.53 2qx5A1 ILE 695 HA -0.07 0.19 0.72 -0.75 4.18 4.27 2qx5A1 ILE 695 HB -0.53 0.04 0.09 -0.04 1.89 1.46 2qx5A1 ILE 695 HG12 -0.08 0.00 -0.00 -0.04 1.49 1.37 2qx5A1 ILE 695 HG13 -0.14 0.03 -0.03 -0.04 1.21 1.02 2qx5A1 ILE 695 HG23 -0.01 -0.02 -0.20 -0.04 0.93 0.66 2qx5A1 ILE 695 HD13 -0.14 -0.03 -0.24 -0.04 0.88 0.43 2qx5A1 TYR 696 H -0.28 0.54 -0.04 -0.55 8.29 7.95 2qx5A1 TYR 696 HA -0.10 0.16 0.76 -0.75 4.56 4.63 2qx5A1 TYR 696 HB2 -0.24 0.08 0.02 -0.04 3.06 2.89 2qx5A1 TYR 696 HB3 -0.02 -0.08 -0.11 -0.04 2.98 2.73 2qx5A1 TYR 696 HD2 -0.04 0.04 -0.28 -0.04 7.15 6.83 2qx5A1 TYR 696 HE2 0.11 0.01 -0.10 -0.04 6.85 6.83 2qx5A1 PHE 697 H -0.14 0.73 0.20 -0.55 8.34 8.58 2qx5A1 PHE 697 HA 0.02 0.05 0.41 -0.75 4.62 4.35 2qx5A1 PHE 697 HB2 0.01 0.13 0.09 -0.04 3.15 3.34 2qx5A1 PHE 697 HB3 0.01 -0.04 0.05 -0.04 3.06 3.04 2qx5A1 PHE 697 HD2 0.03 0.01 -0.13 -0.04 7.28 7.15 2qx5A1 PHE 697 HE2 0.05 -0.03 -0.09 -0.04 7.38 7.27 2qx5A1 PHE 697 HZ 0.04 -0.03 -0.06 -0.04 7.32 7.23 2qx5A1 ASP 698 H 0.09 0.22 -0.32 -0.55 8.40 7.84 2qx5A1 ASP 698 HA 0.06 0.15 0.65 -0.75 4.63 4.74 2qx5A1 ASP 698 HB2 0.03 0.17 0.00 -0.04 2.71 2.87 2qx5A1 ASP 698 HB3 0.03 -0.03 0.13 -0.04 2.70 2.78 2qx5A1 ASN 699 H 0.07 0.29 -0.71 -0.55 8.53 7.64 2qx5A1 ASN 699 HA 0.01 0.14 0.86 -0.75 4.76 5.02 2qx5A1 ASN 699 HB2 0.03 0.22 0.01 -0.04 2.88 3.10 2qx5A1 ASN 699 HB3 0.02 0.04 0.24 -0.04 2.79 3.04 2qx5A1 ASN 699 HD21 0.00 -0.02 0.03 -0.04 7.03 6.99 2qx5A1 ASN 699 HD22 0.02 0.17 0.01 -0.04 7.74 7.91 2qx5A1 ALA 700 H 0.00 0.26 0.03 -0.55 8.40 8.15 2qx5A1 ALA 700 HA -0.00 0.09 0.26 -0.75 4.34 3.94 2qx5A1 ALA 700 HB3 -0.00 0.02 0.07 -0.04 1.41 1.46 2qx5A1 GLY 701 H -0.02 0.10 -0.20 -0.55 8.43 7.76 2qx5A1 GLY 701 HA2 -0.03 0.06 0.38 -0.51 4.01 3.91 2qx5A1 GLY 701 HA3 -0.03 0.04 0.27 -0.51 4.01 3.78 2qx5A1 ILE 702 H -0.11 0.29 -0.25 -0.55 8.25 7.63 2qx5A1 ILE 702 HA -0.41 0.12 0.69 -0.75 4.18 3.82 2qx5A1 ILE 702 HB -0.24 0.16 0.20 -0.04 1.89 1.97 2qx5A1 ILE 702 HG12 -0.91 0.01 -0.01 -0.04 1.49 0.53 2qx5A1 ILE 702 HG13 -0.25 -0.12 -0.09 -0.04 1.21 0.72 2qx5A1 ILE 702 HG23 -1.24 -0.02 -0.12 -0.04 0.93 -0.48 2qx5A1 ILE 702 HD13 -0.16 0.03 0.00 -0.04 0.88 0.71 2qx5A1 SER 703 H -0.05 0.66 0.12 -0.55 8.46 8.65 2qx5A1 SER 703 HA 0.05 -0.04 0.29 -0.75 4.49 4.03 2qx5A1 SER 703 HB2 0.10 0.18 0.11 -0.04 3.95 4.29 2qx5A1 SER 703 HB3 0.01 -0.02 0.03 -0.04 3.93 3.90 2qx5A1 ARG 704 H -0.03 0.42 -0.27 -0.55 8.46 8.04 2qx5A1 ARG 704 HA -0.00 0.04 0.46 -0.75 4.34 4.08 2qx5A1 GLN 705 H -0.02 0.48 -0.43 -0.55 8.47 7.94 2qx5A1 GLN 705 HA 0.04 0.07 0.58 -0.75 4.36 4.29 2qx5A1 GLN 705 HB2 0.07 0.23 0.17 -0.04 2.15 2.57 2qx5A1 GLN 705 HB3 0.15 -0.18 0.18 -0.04 2.02 2.13 2qx5A1 GLN 705 HG2 0.06 -0.05 0.07 -0.04 2.40 2.44 2qx5A1 GLN 705 HG3 0.03 0.09 0.06 -0.04 2.39 2.53 2qx5A1 GLN 705 HE21 0.26 -0.05 0.05 -0.04 6.97 7.19 2qx5A1 GLN 705 HE22 0.02 0.31 0.14 -0.04 7.69 8.12 2qx5A1 ILE 706 H 0.02 0.56 -0.43 -0.55 8.25 7.85 2qx5A1 ILE 706 HA 0.08 -0.02 0.81 -0.75 4.18 4.29 2qx5A1 ILE 706 HB 0.05 0.20 0.04 -0.04 1.89 2.14 2qx5A1 ILE 706 HG12 0.12 -0.13 -0.38 -0.04 1.49 1.07 2qx5A1 ILE 706 HG13 0.04 0.13 -0.24 -0.04 1.21 1.09 2qx5A1 ILE 706 HG23 0.10 -0.01 -0.12 -0.04 0.93 0.86 2qx5A1 ILE 706 HD13 0.24 -0.00 -0.20 -0.04 0.88 0.88 2qx5A1 HIS 707 H 0.13 0.07 0.16 -0.55 8.41 8.22 2qx5A1 HIS 707 HA -0.01 0.17 0.57 -0.75 4.63 4.60 2qx5A1 HIS 707 HB2 -0.01 0.12 0.14 -0.04 3.26 3.47 2qx5A1 HIS 707 HB3 -0.01 -0.09 0.21 -0.04 3.20 3.26 2qx5A1 HIS 707 HD2 -0.02 0.09 0.13 -0.04 6.97 7.13 2qx5A1 HIS 707 HE1 -0.02 0.09 0.02 -0.04 7.75 7.80 2qx5A1 VAL 708 H -0.10 0.24 0.22 -0.55 8.24 8.05 2qx5A1 VAL 708 HA -0.16 0.12 0.29 -0.75 4.13 3.62 2qx5A1 VAL 708 HB -0.09 0.11 0.15 -0.04 2.12 2.24 2qx5A1 VAL 708 HG13 -0.17 0.00 0.05 -0.04 0.97 0.81 2qx5A1 VAL 708 HG23 -0.12 0.01 -0.02 -0.04 0.95 0.78 2qx5A1 LYS 709 H -1.04 0.07 -0.28 -0.55 8.42 6.62 2qx5A1 LYS 709 HA -0.20 0.14 0.58 -0.75 4.32 4.09 2qx5A1 LYS 709 HB2 -0.31 0.04 0.08 -0.04 1.87 1.64 2qx5A1 LYS 709 HB3 -0.25 -0.03 0.03 -0.04 1.79 1.51 2qx5A1 LYS 709 HG2 -0.00 0.06 0.01 -0.04 1.46 1.48 2qx5A1 LYS 709 HG3 -0.04 -0.04 -0.12 -0.04 1.46 1.23 2qx5A1 LYS 709 HD2 -0.09 -0.06 0.16 -0.04 1.69 1.66 2qx5A1 LYS 709 HD3 -0.08 0.04 0.04 -0.04 1.68 1.65 2qx5A1 LYS 709 HE2 -0.02 0.07 0.03 -0.04 2.99 3.03 2qx5A1 LYS 709 HE3 -0.03 -0.08 0.05 -0.04 2.99 2.88 2qx5A1 ASN 710 H -0.14 0.19 -0.09 -0.55 8.53 7.94 2qx5A1 ASN 710 HA -0.00 0.05 0.51 -0.75 4.76 4.57 2qx5A1 ASN 710 HB2 0.04 0.12 0.19 -0.04 2.88 3.19 2qx5A1 ASN 710 HB3 0.06 -0.00 -0.07 -0.04 2.79 2.73 2qx5A1 ASN 710 HD21 0.11 0.05 0.03 -0.04 7.03 7.18 2qx5A1 ASN 710 HD22 0.19 -0.10 0.07 -0.04 7.74 7.85 2qx5A1 LYS 711 H -0.13 0.48 -0.18 -0.55 8.42 8.04 2qx5A1 LYS 711 HA -0.30 0.01 0.39 -0.75 4.32 3.67 2qx5A1 LYS 711 HB2 -0.26 0.01 -0.04 -0.04 1.87 1.54 2qx5A1 LYS 711 HB3 -0.26 0.12 0.04 -0.04 1.79 1.65 2qx5A1 LYS 711 HG2 -0.60 0.00 -0.13 -0.04 1.46 0.69 2qx5A1 LYS 711 HG3 -1.69 -0.05 0.01 -0.04 1.46 -0.31 2qx5A1 LYS 711 HD2 -0.35 0.01 -0.03 -0.04 1.69 1.29 2qx5A1 LYS 711 HD3 -0.24 0.02 -0.05 -0.04 1.68 1.36 2qx5A1 LYS 711 HE2 -0.22 -0.01 -0.04 -0.04 2.99 2.69 2qx5A1 LYS 711 HE3 -0.42 -0.04 -0.02 -0.04 2.99 2.47 2qx5A1 GLU 712 H -0.16 0.42 -0.26 -0.55 8.60 8.05 2qx5A1 GLU 712 HA -0.12 0.04 0.45 -0.75 4.29 3.91 2qx5A1 GLU 712 HB2 -0.11 0.05 0.28 -0.04 2.09 2.26 2qx5A1 GLU 712 HB3 -0.07 -0.01 0.00 -0.04 1.99 1.87 2qx5A1 GLU 712 HG2 -0.09 -0.01 0.04 -0.04 2.34 2.25 2qx5A1 GLU 712 HG3 -0.13 0.08 0.08 -0.04 2.34 2.33 2qx5A1 ILE 713 H -0.06 0.58 -0.05 -0.55 8.25 8.17 2qx5A1 ILE 713 HA -0.02 0.03 0.38 -0.75 4.18 3.81 2qx5A1 ILE 713 HB -0.00 0.09 0.16 -0.04 1.89 2.09 2qx5A1 ILE 713 HG12 -0.03 0.43 0.16 -0.04 1.49 2.01 2qx5A1 ILE 713 HG13 -0.01 -0.12 0.05 -0.04 1.21 1.08 2qx5A1 ILE 713 HG23 0.00 -0.03 -0.08 -0.04 0.93 0.78 2qx5A1 ILE 713 HD13 -0.03 -0.03 0.03 -0.04 0.88 0.80 2qx5A1 CYS 714 H 0.01 0.52 -0.27 -0.55 8.50 8.22 2qx5A1 CYS 714 HA 0.07 -0.01 0.38 -0.75 4.58 4.27 2qx5A1 CYS 714 HB2 0.17 0.07 0.09 -0.04 2.97 3.25 2qx5A1 CYS 714 HB3 0.23 0.09 0.11 -0.04 2.97 3.36 2qx5A1 MET 715 H -0.01 0.62 -0.04 -0.55 8.47 8.50 2qx5A1 MET 715 HA 0.09 -0.04 0.43 -0.75 4.52 4.24 2qx5A1 MET 715 HB2 -0.04 0.13 0.14 -0.04 2.15 2.33 2qx5A1 MET 715 HB3 -0.00 -0.05 0.03 -0.04 2.03 1.97 2qx5A1 MET 715 HG2 -0.15 0.14 0.15 -0.04 2.63 2.73 2qx5A1 MET 715 HG3 -0.15 -0.02 0.00 -0.04 2.56 2.35 2qx5A1 MET 715 HE3 -0.00 0.00 -0.02 -0.04 2.10 2.04 2qx5A1 LEU 716 H -0.01 0.60 -0.25 -0.55 8.37 8.17 2qx5A1 LEU 716 HA -0.00 0.02 0.42 -0.75 4.35 4.03 2qx5A1 LEU 716 HB2 -0.01 0.12 0.13 -0.04 1.64 1.84 2qx5A1 LEU 716 HB3 -0.00 0.06 0.15 -0.04 1.64 1.81 2qx5A1 LEU 716 HG 0.00 -0.06 -0.06 -0.04 1.64 1.49 2qx5A1 LEU 716 HD13 -0.01 0.01 0.04 -0.04 0.93 0.93 2qx5A1 LEU 716 HD23 -0.01 -0.01 -0.02 -0.04 0.89 0.81 2qx5A1 LEU 717 H 0.02 0.69 0.00 -0.55 8.37 8.54 2qx5A1 LEU 717 HA 0.02 -0.01 0.36 -0.75 4.35 3.97 2qx5A1 LEU 717 HB2 0.03 0.07 0.13 -0.04 1.64 1.84 2qx5A1 LEU 717 HB3 0.02 -0.07 -0.04 -0.04 1.64 1.51 2qx5A1 LEU 717 HG 0.02 0.17 0.07 -0.04 1.64 1.86 2qx5A1 LEU 717 HD13 0.02 -0.05 -0.01 -0.04 0.93 0.85 2qx5A1 LEU 717 HD23 0.01 -0.01 -0.07 -0.04 0.89 0.79 2qx5A1 LEU 718 H 0.04 0.69 -0.13 -0.55 8.37 8.42 2qx5A1 LEU 718 HA 0.03 -0.02 0.59 -0.75 4.35 4.19 2qx5A1 LEU 718 HB2 0.06 0.12 0.13 -0.04 1.64 1.91 2qx5A1 LEU 718 HB3 0.04 -0.06 -0.02 -0.04 1.64 1.55 2qx5A1 LEU 718 HG 0.06 0.12 -0.03 -0.04 1.64 1.75 2qx5A1 LEU 718 HD13 0.08 -0.00 -0.13 -0.04 0.93 0.84 2qx5A1 LEU 718 HD23 0.02 -0.04 -0.10 -0.04 0.89 0.72 2qx5A1 ASN 719 H 0.02 0.80 0.02 -0.55 8.53 8.83 2qx5A1 ASN 719 HA 0.02 -0.05 0.46 -0.75 4.76 4.43 2qx5A1 ASN 719 HB2 0.01 0.20 0.22 -0.04 2.88 3.27 2qx5A1 ASN 719 HB3 0.00 -0.05 -0.01 -0.04 2.79 2.70 2qx5A1 ASN 719 HD21 -0.01 -0.07 -0.09 -0.04 7.03 6.83 2qx5A1 ASN 719 HD22 -0.01 0.01 -0.06 -0.04 7.74 7.64 2qx5A1 ILE 720 H 0.02 0.68 -0.15 -0.55 8.25 8.25 2qx5A1 ILE 720 HA 0.02 -0.01 0.36 -0.75 4.18 3.80 2qx5A1 ILE 720 HB 0.02 0.12 0.11 -0.04 1.89 2.11 2qx5A1 ILE 720 HG12 0.02 -0.05 -0.03 -0.04 1.49 1.39 2qx5A1 ILE 720 HG13 0.01 0.15 -0.01 -0.04 1.21 1.32 2qx5A1 ILE 720 HG23 0.02 -0.02 -0.11 -0.04 0.93 0.79 2qx5A1 ILE 720 HD13 0.02 -0.02 -0.11 -0.04 0.88 0.73 2qx5A1 SER 721 H 0.02 0.43 -0.28 -0.55 8.46 8.09 2qx5A1 SER 721 HA 0.03 0.05 0.52 -0.75 4.49 4.34 2qx5A1 SER 721 HB2 0.02 -0.11 0.08 -0.04 3.95 3.90 2qx5A1 SER 721 HB3 0.02 0.12 0.13 -0.04 3.93 4.15 2qx5A1 SER 722 H 0.02 0.63 -0.08 -0.55 8.46 8.49 2qx5A1 SER 722 HA 0.02 -0.03 0.50 -0.75 4.49 4.23 2qx5A1 SER 722 HB2 0.02 0.20 0.15 -0.04 3.95 4.27 2qx5A1 SER 722 HB3 0.02 -0.08 0.02 -0.04 3.93 3.84 2qx5A1 ILE 723 H 0.03 0.70 -0.07 -0.55 8.25 8.36 2qx5A1 ILE 723 HA 0.06 -0.04 0.40 -0.75 4.18 3.85 2qx5A1 ILE 723 HB 0.04 0.12 0.14 -0.04 1.89 2.15 2qx5A1 ILE 723 HG12 0.04 -0.07 -0.04 -0.04 1.49 1.38 2qx5A1 ILE 723 HG13 0.02 0.15 -0.05 -0.04 1.21 1.29 2qx5A1 ILE 723 HG23 0.06 -0.02 -0.18 -0.04 0.93 0.75 2qx5A1 ILE 723 HD13 0.02 0.02 -0.27 -0.04 0.88 0.61 2qx5A1 ARG 724 H 0.06 0.53 -0.32 -0.55 8.46 8.17 2qx5A1 ARG 724 HA 0.14 0.01 0.42 -0.75 4.34 4.15 2qx5A1 ARG 724 HB2 0.05 0.16 0.23 -0.04 1.90 2.30 2qx5A1 ARG 724 HB3 0.07 -0.06 -0.03 -0.04 1.80 1.74 2qx5A1 ARG 724 HG2 0.04 0.02 0.03 -0.04 1.67 1.72 2qx5A1 ARG 724 HG3 0.04 -0.03 0.00 -0.04 1.67 1.64 2qx5A1 ARG 724 HD2 0.11 0.00 0.01 -0.04 3.22 3.30 2qx5A1 ARG 724 HD3 0.05 -0.06 -0.01 -0.04 3.22 3.16 2qx5A1 GLU 725 H 0.06 0.45 -0.13 -0.55 8.60 8.43 2qx5A1 GLU 725 HA 0.10 0.04 0.55 -0.75 4.29 4.22 2qx5A1 GLU 725 HB2 0.03 0.05 0.11 -0.04 2.09 2.24 2qx5A1 GLU 725 HB3 0.03 -0.04 0.07 -0.04 1.99 2.01 2qx5A1 GLU 725 HG2 -0.01 -0.12 0.03 -0.04 2.34 2.21 2qx5A1 GLU 725 HG3 0.02 0.40 0.13 -0.04 2.34 2.86 2qx5A1 LEU 726 H 0.06 0.58 -0.07 -0.55 8.37 8.39 2qx5A1 LEU 726 HA -0.01 -0.00 0.49 -0.75 4.35 4.07 2qx5A1 LEU 726 HB2 0.07 0.24 0.14 -0.04 1.64 2.05 2qx5A1 LEU 726 HB3 0.01 -0.10 -0.03 -0.04 1.64 1.48 2qx5A1 LEU 726 HG 0.03 0.15 0.04 -0.04 1.64 1.81 2qx5A1 LEU 726 HD13 0.03 -0.03 -0.19 -0.04 0.93 0.70 2qx5A1 LEU 726 HD23 -0.01 -0.03 -0.02 -0.04 0.89 0.79 2qx5A1 TYR 727 H 0.20 0.58 -0.22 -0.55 8.29 8.30 2qx5A1 TYR 727 HA -0.03 -0.09 0.18 -0.75 4.56 3.87 2qx5A1 TYR 727 HB2 0.10 0.00 0.05 -0.04 3.06 3.18 2qx5A1 TYR 727 HB3 0.10 0.17 0.12 -0.04 2.98 3.34 2qx5A1 TYR 727 HD2 0.22 0.04 -0.09 -0.04 7.15 7.28 2qx5A1 TYR 727 HE2 0.24 -0.03 -0.11 -0.04 6.85 6.90 2qx5A1 PHE 728 H 0.25 0.46 -0.21 -0.55 8.34 8.28 2qx5A1 PHE 728 HA -0.13 0.09 0.48 -0.75 4.62 4.31 2qx5A1 PHE 728 HB2 0.05 0.12 0.05 -0.04 3.15 3.33 2qx5A1 PHE 728 HB3 -0.01 0.02 0.15 -0.04 3.06 3.18 2qx5A1 PHE 728 HD2 -0.01 0.08 -0.15 -0.04 7.28 7.16 2qx5A1 PHE 728 HE2 -0.01 0.09 0.05 -0.04 7.38 7.47 2qx5A1 PHE 728 HZ -0.01 -0.06 0.03 -0.04 7.32 7.24 2qx5A1 ASN 729 H -0.04 0.41 -0.27 -0.55 8.53 8.09 2qx5A1 ASN 729 HA -0.34 0.12 0.66 -0.75 4.76 4.45 2qx5A1 ASN 729 HB2 -0.08 0.05 0.13 -0.04 2.88 2.95 2qx5A1 ASN 729 HB3 -0.12 -0.08 0.16 -0.04 2.79 2.70 2qx5A1 ASN 729 HD21 0.14 -0.09 -0.01 -0.04 7.03 7.04 2qx5A1 ASN 729 HD22 0.07 0.13 -0.01 -0.04 7.74 7.89 2qx5A1 LYS 730 H -0.59 0.34 -0.69 -0.55 8.42 6.93 2qx5A1 LYS 730 HA -2.02 0.09 0.25 -0.75 4.32 1.90 2qx5A1 LYS 730 HB2 -0.51 0.21 -0.08 -0.04 1.87 1.44 2qx5A1 LYS 730 HB3 -0.87 -0.12 0.20 -0.04 1.79 0.95 2qx5A1 LYS 730 HG2 -0.18 -0.03 -0.01 -0.04 1.46 1.20 2qx5A1 LYS 730 HG3 -0.49 0.20 -0.24 -0.04 1.46 0.88 2qx5A1 LYS 730 HD2 -0.23 0.02 -0.09 -0.04 1.69 1.35 2qx5A1 LYS 730 HD3 -0.08 -0.07 -0.02 -0.04 1.68 1.47 2qx5A1 LYS 730 HE2 -0.09 -0.04 0.00 -0.04 2.99 2.82 2qx5A1 LYS 730 HE3 0.05 -0.06 0.00 -0.04 2.99 2.94 2qx5A1 GLN 731 H -0.48 0.54 -0.23 -0.55 8.47 7.76 2qx5A1 GLN 731 HA -0.38 0.14 0.78 -0.75 4.36 4.13 2qx5A1 GLN 731 HB2 -0.14 0.06 0.11 -0.04 2.15 2.14 2qx5A1 GLN 731 HB3 -0.10 -0.19 0.12 -0.04 2.02 1.81 2qx5A1 GLN 731 HG2 -0.15 0.00 -0.02 -0.04 2.40 2.19 2qx5A1 GLN 731 HG3 -0.20 0.17 -0.16 -0.04 2.39 2.17 2qx5A1 GLN 731 HE21 -0.04 -0.01 -0.01 -0.04 6.97 6.86 2qx5A1 GLN 731 HE22 -0.07 0.03 -0.01 -0.04 7.69 7.60 2qx5A1 TRP 732 H -0.74 0.45 -0.12 -0.55 7.97 7.02 2qx5A1 TRP 732 HA 0.08 0.08 0.10 -0.75 4.62 4.13 2qx5A1 TRP 732 HB2 0.03 -0.05 0.07 -0.04 3.23 3.24 2qx5A1 TRP 732 HB3 0.05 0.09 0.12 -0.04 3.23 3.45 2qx5A1 TRP 732 HD1 0.01 -0.06 0.03 -0.04 7.22 7.16 2qx5A1 TRP 732 HE1 -0.02 -0.01 0.06 -0.04 10.20 10.19 2qx5A1 TRP 732 HE3 0.08 -0.07 -0.04 -0.04 7.59 7.51 2qx5A1 TRP 732 HZ2 -0.11 0.00 0.04 -0.04 7.44 7.33 2qx5A1 TRP 732 HZ3 -0.46 0.05 -0.03 -0.04 7.13 6.64 2qx5A1 TRP 732 HH2 -0.26 0.04 0.01 -0.04 7.19 6.94 2qx5A1 GLN 733 H 0.18 0.11 -0.13 -0.55 8.47 8.08 2qx5A1 GLN 733 HA 0.16 0.13 0.40 -0.75 4.36 4.29 2qx5A1 GLN 733 HB2 0.13 0.04 0.06 -0.04 2.15 2.34 2qx5A1 GLN 733 HB3 0.10 -0.01 0.08 -0.04 2.02 2.14 2qx5A1 GLN 733 HG2 0.07 0.03 -0.06 -0.04 2.40 2.40 2qx5A1 GLN 733 HG3 0.07 -0.01 -0.31 -0.04 2.39 2.10 2qx5A1 GLN 733 HE21 0.07 0.04 -0.02 -0.04 6.97 7.02 2qx5A1 GLN 733 HE22 0.07 -0.05 -0.02 -0.04 7.69 7.64 2qx5A1 GLU 734 H 0.05 0.11 -0.12 -0.55 8.60 8.09 2qx5A1 GLU 734 HA 0.04 0.04 0.41 -0.75 4.29 4.03 2qx5A1 GLU 734 HB2 0.01 -0.02 0.07 -0.04 2.09 2.11 2qx5A1 GLU 734 HB3 0.00 0.09 0.04 -0.04 1.99 2.09 2qx5A1 GLU 734 HG2 0.00 0.03 -0.02 -0.04 2.34 2.30 2qx5A1 GLU 734 HG3 0.01 0.02 -0.11 -0.04 2.34 2.22 2qx5A1 THR 735 H 0.07 0.63 -0.21 -0.55 8.28 8.23 2qx5A1 THR 735 HA 0.08 0.01 0.41 -0.75 4.39 4.14 2qx5A1 THR 735 HB 0.24 0.13 0.01 -0.04 4.32 4.66 2qx5A1 THR 735 HG23 0.20 0.00 -0.10 -0.04 1.22 1.29 2qx5A1 LEU 736 H 0.16 0.48 -0.18 -0.55 8.37 8.27 2qx5A1 LEU 736 HA 0.19 -0.00 0.29 -0.75 4.35 4.07 2qx5A1 LEU 736 HB2 0.15 0.08 0.21 -0.04 1.64 2.03 2qx5A1 LEU 736 HB3 0.22 -0.05 0.00 -0.04 1.64 1.77 2qx5A1 LEU 736 HG 0.20 0.24 0.09 -0.04 1.64 2.13 2qx5A1 LEU 736 HD13 0.12 -0.04 -0.12 -0.04 0.93 0.85 2qx5A1 LEU 736 HD23 0.19 0.01 0.02 -0.04 0.89 1.06 2qx5A1 SER 737 H 0.06 0.52 -0.04 -0.55 8.46 8.45 2qx5A1 SER 737 HA -0.05 0.03 0.45 -0.75 4.49 4.16 2qx5A1 SER 737 HB2 -0.01 -0.02 0.06 -0.04 3.95 3.93 2qx5A1 SER 737 HB3 0.02 -0.01 0.08 -0.04 3.93 3.98 2qx5A1 GLN 738 H 0.01 0.60 -0.15 -0.55 8.47 8.39 2qx5A1 GLN 738 HA -0.03 0.00 0.55 -0.75 4.36 4.13 2qx5A1 GLN 738 HB2 0.03 0.15 0.16 -0.04 2.15 2.44 2qx5A1 GLN 738 HB3 0.01 -0.05 -0.02 -0.04 2.02 1.91 2qx5A1 GLN 738 HG2 0.01 0.01 0.06 -0.04 2.40 2.44 2qx5A1 GLN 738 HG3 0.02 -0.05 -0.07 -0.04 2.39 2.24 2qx5A1 GLN 738 HE21 -0.01 -0.02 -0.02 -0.04 6.97 6.88 2qx5A1 GLN 738 HE22 -0.01 -0.01 -0.05 -0.04 7.69 7.58 2qx5A1 MET 739 H 0.02 0.86 0.01 -0.55 8.47 8.81 2qx5A1 MET 739 HA -0.00 -0.01 0.45 -0.75 4.52 4.20 2qx5A1 MET 739 HB2 0.10 0.05 0.03 -0.04 2.15 2.29 2qx5A1 MET 739 HB3 0.15 0.12 0.13 -0.04 2.03 2.39 2qx5A1 MET 739 HG2 0.25 -0.02 -0.05 -0.04 2.63 2.77 2qx5A1 MET 739 HG3 0.18 -0.08 -0.10 -0.04 2.56 2.52 2qx5A1 MET 739 HE3 0.05 -0.00 -0.03 -0.04 2.10 2.07 2qx5A1 GLU 740 H -0.28 0.55 -0.22 -0.55 8.60 8.10 2qx5A1 GLU 740 HA -1.19 -0.03 0.38 -0.75 4.29 2.70 2qx5A1 GLU 740 HB2 -1.11 0.02 0.09 -0.04 2.09 1.05 2qx5A1 GLU 740 HB3 -0.36 0.12 0.16 -0.04 1.99 1.87 2qx5A1 GLU 740 HG2 -0.29 0.01 -0.14 -0.04 2.34 1.88 2qx5A1 GLU 740 HG3 -0.70 -0.07 0.07 -0.04 2.34 1.60 2qx5A1 LEU 741 H -0.16 0.43 -0.19 -0.55 8.37 7.90 2qx5A1 LEU 741 HA -0.11 0.03 0.51 -0.75 4.35 4.02 2qx5A1 LEU 741 HB2 -0.06 0.14 0.10 -0.04 1.64 1.77 2qx5A1 LEU 741 HB3 -0.05 -0.06 0.09 -0.04 1.64 1.57 2qx5A1 LEU 741 HG -0.08 0.21 0.11 -0.04 1.64 1.84 2qx5A1 LEU 741 HD13 -0.03 -0.03 -0.00 -0.04 0.93 0.82 2qx5A1 LEU 741 HD23 -0.05 -0.02 0.01 -0.04 0.89 0.79 2qx5A1 LEU 742 H -0.12 0.37 -0.60 -0.55 8.37 7.49 2qx5A1 LEU 742 HA -0.04 0.03 0.42 -0.75 4.35 4.01 2qx5A1 LEU 742 HB2 -0.04 0.46 0.19 -0.04 1.64 2.20 2qx5A1 LEU 742 HB3 -0.01 -0.15 -0.09 -0.04 1.64 1.35 2qx5A1 LEU 742 HG -0.00 -0.06 0.00 -0.04 1.64 1.54 2qx5A1 LEU 742 HD13 -0.02 0.05 -0.08 -0.04 0.93 0.84 2qx5A1 LEU 742 HD23 0.01 -0.02 -0.01 -0.04 0.89 0.83 2qx5A1 ASP 743 H -0.10 0.34 -0.30 -0.55 8.40 7.80 2qx5A1 ASP 743 HA -0.04 0.04 0.26 -0.75 4.63 4.13 2qx5A1 ASP 743 HB2 -0.04 0.04 -0.17 -0.04 2.71 2.51 2qx5A1 ASP 743 HB3 -0.02 0.10 0.20 -0.04 2.70 2.94 2qx5A1 LEU 744 H -0.01 -0.04 -0.07 -0.55 8.37 7.70 2qx5A1 LEU 744 HA 0.02 0.22 0.83 -0.75 4.35 4.66 2qx5A1 LEU 744 HB2 0.02 -0.06 -0.04 -0.04 1.64 1.53 2qx5A1 LEU 744 HB3 0.04 -0.01 -0.14 -0.04 1.64 1.49 2qx5A1 LEU 744 HG 0.00 0.17 -0.30 -0.04 1.64 1.48 2qx5A1 LEU 744 HD13 0.03 -0.02 -0.09 -0.04 0.93 0.81 2qx5A1 LEU 744 HD23 0.02 0.02 -0.04 -0.04 0.89 0.84 2qx5A1 LEU 745 H 0.05 -0.00 0.08 -0.55 8.37 7.95 2qx5A1 LEU 745 HA -0.36 0.24 0.68 -0.75 4.35 4.15 2qx5A1 LEU 745 HB2 0.31 -0.04 -0.07 -0.04 1.64 1.80 2qx5A1 LEU 745 HB3 -0.10 0.08 -0.07 -0.04 1.64 1.52 2qx5A1 LEU 745 HG 0.07 -0.05 -0.09 -0.04 1.64 1.53 2qx5A1 LEU 745 HD13 0.06 -0.01 -0.21 -0.04 0.93 0.73 2qx5A1 LEU 745 HD23 -0.07 0.03 -0.18 -0.04 0.89 0.63 2qx5A1 PRO 746 HA 0.01 0.10 0.60 -0.51 4.44 4.63 2qx5A1 PRO 746 HB2 -0.05 -0.00 0.12 -0.04 2.28 2.31 2qx5A1 PRO 746 HB3 -0.05 0.03 0.20 -0.04 2.02 2.17 2qx5A1 PRO 746 HG2 -0.16 -0.00 -0.15 -0.04 2.03 1.68 2qx5A1 PRO 746 HG3 -0.13 0.06 0.08 -0.04 2.03 2.00 2qx5A1 PRO 746 HD2 -0.47 0.08 0.13 -0.04 3.68 3.37 2qx5A1 PRO 746 HD3 -1.02 0.19 0.15 -0.04 3.65 2.94 2qx5A1 PHE 747 H 0.48 0.45 -0.02 -0.55 8.34 8.69 2qx5A1 PHE 747 HA -0.03 0.18 0.53 -0.75 4.62 4.55 2qx5A1 PHE 747 HB2 -0.02 0.06 0.10 -0.04 3.15 3.25 2qx5A1 PHE 747 HB3 -0.01 -0.01 0.07 -0.04 3.06 3.07 2qx5A1 PHE 747 HD2 -0.03 0.05 -0.13 -0.04 7.28 7.13 2qx5A1 PHE 747 HE2 -0.02 -0.03 -0.12 -0.04 7.38 7.17 2qx5A1 PHE 747 HZ 0.00 -0.01 -0.10 -0.04 7.32 7.17 2qx5A1 ALA 753 HA 0.07 0.04 0.28 -0.75 4.34 3.97 2qx5A1 ALA 753 HB3 0.06 -0.00 0.10 -0.04 1.41 1.53 2qx5A1 ARG 754 H 0.05 0.20 0.11 -0.55 8.46 8.27 2qx5A1 ARG 754 HA 0.06 0.08 0.29 -0.75 4.34 4.01 2qx5A1 ARG 754 HB2 0.03 -0.01 0.14 -0.04 1.90 2.02 2qx5A1 ARG 754 HB3 0.03 0.03 -0.02 -0.04 1.80 1.80 2qx5A1 ARG 754 HG2 0.02 0.04 0.04 -0.04 1.67 1.72 2qx5A1 ARG 754 HG3 0.03 -0.00 0.06 -0.04 1.67 1.72 2qx5A1 ARG 754 HD2 0.02 -0.00 0.02 -0.04 3.22 3.22 2qx5A1 ARG 754 HD3 0.01 0.00 0.00 -0.04 3.22 3.20 2qx5A1 LYS 755 H 0.05 0.14 -0.24 -0.55 8.42 7.82 2qx5A1 LYS 755 HA 0.05 0.05 0.41 -0.75 4.32 4.08 2qx5A1 LYS 756 H 0.11 0.28 -0.23 -0.55 8.42 8.03 2qx5A1 LYS 756 HA 0.13 0.03 0.44 -0.75 4.32 4.17 2qx5A1 LYS 756 HB2 0.11 0.05 0.06 -0.04 1.87 2.05 2qx5A1 LYS 756 HB3 0.21 0.10 -0.05 -0.04 1.79 2.01 2qx5A1 LYS 756 HG2 0.07 0.04 -0.06 -0.04 1.46 1.47 2qx5A1 LYS 756 HG3 0.06 -0.11 -0.13 -0.04 1.46 1.24 2qx5A1 LYS 756 HD2 0.01 -0.08 -0.28 -0.04 1.69 1.30 2qx5A1 LYS 756 HD3 -0.03 0.21 -0.48 -0.04 1.68 1.33 2qx5A1 LYS 756 HE2 0.02 -0.04 -0.32 -0.04 2.99 2.61 2qx5A1 LYS 756 HE3 0.02 0.19 -0.42 -0.04 2.99 2.73 2qx5A1 ALA 757 H 0.21 0.48 -0.09 -0.55 8.40 8.46 2qx5A1 ALA 757 HA -0.02 0.10 0.55 -0.75 4.34 4.22 2qx5A1 ALA 757 HB3 -0.10 0.01 0.03 -0.04 1.41 1.31 2qx5A1 GLN 758 H 0.09 0.39 -0.33 -0.55 8.47 8.08 2qx5A1 GLN 758 HA 0.05 0.07 0.53 -0.75 4.36 4.26 2qx5A1 GLN 758 HB2 0.05 0.17 0.21 -0.04 2.15 2.55 2qx5A1 GLN 758 HB3 0.04 -0.06 0.01 -0.04 2.02 1.98 2qx5A1 GLN 758 HG2 0.02 -0.05 0.04 -0.04 2.40 2.37 2qx5A1 GLN 758 HG3 0.02 -0.01 -0.00 -0.04 2.39 2.36 2qx5A1 GLN 758 HE21 0.02 -0.09 -0.06 -0.04 6.97 6.79 2qx5A1 GLN 758 HE22 0.01 0.00 -0.01 -0.04 7.69 7.65 2qx5A1 ASP 759 H 0.11 0.36 -0.09 -0.55 8.40 8.22 2qx5A1 ASP 759 HA 0.06 0.03 0.53 -0.75 4.63 4.50 2qx5A1 ASP 759 HB2 0.11 0.09 0.14 -0.04 2.71 3.01 2qx5A1 ASP 759 HB3 0.06 -0.05 0.02 -0.04 2.70 2.69 2qx5A1 PHE 760 H 0.23 0.26 -0.74 -0.55 8.34 7.54 2qx5A1 PHE 760 HA 0.06 -0.01 0.27 -0.75 4.62 4.19 2qx5A1 PHE 760 HB2 -0.01 0.04 0.17 -0.04 3.15 3.31 2qx5A1 PHE 760 HB3 -0.03 0.14 0.07 -0.04 3.06 3.20 2qx5A1 PHE 760 HD2 0.05 0.00 -0.11 -0.04 7.28 7.18 2qx5A1 PHE 760 HE2 0.03 -0.03 0.02 -0.04 7.38 7.35 2qx5A1 PHE 760 HZ 0.01 0.15 0.07 -0.04 7.32 7.51 2qx5A1 SER 761 H 0.13 0.26 -0.50 -0.55 8.46 7.81 2qx5A1 SER 761 HA 0.04 0.08 0.47 -0.75 4.49 4.32 2qx5A1 SER 761 HB2 0.04 0.01 -0.02 -0.04 3.95 3.94 2qx5A1 SER 761 HB3 0.05 -0.05 0.09 -0.04 3.93 3.98 2qx5A1 ASN 762 H 0.00 0.63 -0.22 -0.55 8.53 8.40 2qx5A1 ASN 762 HA -0.02 0.11 0.71 -0.75 4.76 4.80 2qx5A1 ASN 762 HB2 0.00 0.09 0.08 -0.04 2.88 3.01 2qx5A1 ASN 762 HB3 -0.00 -0.10 0.12 -0.04 2.79 2.77 2qx5A1 ASN 762 HD21 0.02 -0.02 -0.01 -0.04 7.03 6.98 2qx5A1 ASN 762 HD22 0.03 -0.01 0.07 -0.04 7.74 7.79 2qx5A1 LEU 763 H -0.13 0.28 -0.28 -0.55 8.37 7.70 2qx5A1 LEU 763 HA -0.07 -0.03 0.50 -0.75 4.35 4.00 2qx5A1 LEU 763 HB2 -0.35 0.20 0.08 -0.04 1.64 1.53 2qx5A1 LEU 763 HB3 -0.16 -0.09 0.03 -0.04 1.64 1.38 2qx5A1 LEU 763 HG -0.09 0.06 -0.03 -0.04 1.64 1.53 2qx5A1 LEU 763 HD13 -0.30 0.01 -0.01 -0.04 0.93 0.59 2qx5A1 LEU 763 HD23 -0.03 -0.02 0.00 -0.04 0.89 0.80 2qx5A1 ASP 764 H -0.05 0.06 0.18 -0.55 8.40 8.04 2qx5A1 ASP 764 HA -0.04 0.12 0.52 -0.75 4.63 4.48 2qx5A1 ASP 764 HB2 -0.03 0.10 0.18 -0.04 2.71 2.93 2qx5A1 ASP 764 HB3 -0.03 -0.17 0.09 -0.04 2.70 2.55 2qx5A1 ASP 765 H -0.03 0.15 0.17 -0.55 8.40 8.15 2qx5A1 ASP 765 HA -0.05 0.19 0.36 -0.75 4.63 4.37 2qx5A1 ASP 765 HB2 -0.01 -0.05 0.06 -0.04 2.71 2.67 2qx5A1 ASP 765 HB3 -0.01 0.05 0.07 -0.04 2.70 2.76 2qx5A1 ASN 766 H -0.02 -0.01 -0.27 -0.55 8.53 7.69 2qx5A1 ASN 766 HA -0.00 0.16 0.48 -0.75 4.76 4.64 2qx5A1 ASN 766 HB2 -0.01 -0.09 0.02 -0.04 2.88 2.76 2qx5A1 ASN 766 HB3 0.00 0.09 -0.05 -0.04 2.79 2.79 2qx5A1 ASN 766 HD21 -0.00 0.03 -0.11 -0.04 7.03 6.91 2qx5A1 ASN 766 HD22 0.00 -0.04 -0.07 -0.04 7.74 7.59 2qx5A1 ILE 767 H -0.03 0.09 -0.26 -0.55 8.25 7.50 2qx5A1 ILE 767 HA -0.00 0.12 0.53 -0.75 4.18 4.07 2qx5A1 ILE 767 HB -0.06 0.07 0.10 -0.04 1.89 1.96 2qx5A1 ILE 767 HG12 -0.02 -0.12 0.05 -0.04 1.49 1.35 2qx5A1 ILE 767 HG13 -0.02 0.06 0.03 -0.04 1.21 1.24 2qx5A1 ILE 767 HG23 -0.00 0.01 -0.10 -0.04 0.93 0.80 2qx5A1 ILE 767 HD13 -0.00 0.01 -0.09 -0.04 0.88 0.76 2qx5A1 VAL 768 H -0.09 0.40 -0.15 -0.55 8.24 7.84 2qx5A1 VAL 768 HA -0.11 0.01 0.22 -0.75 4.13 3.49 2qx5A1 VAL 768 HB -0.18 0.05 0.07 -0.04 2.12 2.02 2qx5A1 VAL 768 HG13 -0.62 0.04 0.00 -0.04 0.97 0.35 2qx5A1 VAL 768 HG23 -0.07 0.00 -0.00 -0.04 0.95 0.84 2qx5A1 LYS 769 H 0.01 0.23 -0.40 -0.55 8.42 7.70 2qx5A1 LYS 769 HA 0.07 0.13 0.56 -0.75 4.32 4.32 2qx5A1 LYS 769 HB2 0.04 -0.01 0.10 -0.04 1.87 1.96 2qx5A1 LYS 769 HB3 0.03 -0.02 0.08 -0.04 1.79 1.84 2qx5A1 LYS 769 HG2 0.01 0.17 0.08 -0.04 1.46 1.67 2qx5A1 LYS 769 HG3 0.02 0.15 -0.03 -0.04 1.46 1.55 2qx5A1 LYS 769 HD2 0.02 0.02 -0.11 -0.04 1.69 1.58 2qx5A1 LYS 769 HD3 0.02 -0.04 -0.02 -0.04 1.68 1.60 2qx5A1 LYS 769 HE2 0.01 0.02 0.01 -0.04 2.99 2.99 2qx5A1 LYS 769 HE3 0.01 -0.04 -0.10 -0.04 2.99 2.81 2qx5A1 ASN 770 H 0.04 0.53 -0.33 -0.55 8.53 8.23 2qx5A1 ASN 770 HA 0.04 0.14 0.84 -0.75 4.76 5.02 2qx5A1 ASN 770 HB2 0.03 0.13 0.14 -0.04 2.88 3.13 2qx5A1 ASN 770 HB3 0.03 -0.09 0.06 -0.04 2.79 2.75 2qx5A1 ASN 770 HD21 0.02 -0.10 0.11 -0.04 7.03 7.02 2qx5A1 ASN 770 HD22 0.01 -0.00 0.20 -0.04 7.74 7.90 2qx5A1 ILE 771 H 0.10 0.31 -0.09 -0.55 8.25 8.03 2qx5A1 ILE 771 HA 0.12 -0.05 0.33 -0.75 4.18 3.83 2qx5A1 ILE 771 HB 0.32 0.24 0.12 -0.04 1.89 2.53 2qx5A1 ILE 771 HG12 0.11 0.06 -0.02 -0.04 1.49 1.60 2qx5A1 ILE 771 HG13 0.27 0.04 -0.01 -0.04 1.21 1.46 2qx5A1 ILE 771 HG23 0.35 -0.02 -0.17 -0.04 0.93 1.05 2qx5A1 ILE 771 HD13 0.18 -0.02 -0.09 -0.04 0.88 0.91 2qx5A1 PRO 772 HA 0.09 0.04 0.36 -0.51 4.44 4.42 2qx5A1 PRO 772 HB2 0.06 0.04 0.02 -0.04 2.28 2.36 2qx5A1 PRO 772 HB3 0.07 -0.03 0.02 -0.04 2.02 2.04 2qx5A1 PRO 772 HG2 0.09 0.06 0.10 -0.04 2.03 2.24 2qx5A1 PRO 772 HG3 0.10 0.08 0.06 -0.04 2.03 2.23 2qx5A1 PRO 772 HD2 0.10 0.17 -0.37 -0.04 3.68 3.54 2qx5A1 PRO 772 HD3 0.18 0.27 0.11 -0.04 3.65 4.17 2qx5A1 ASN 773 H 0.05 0.28 -0.23 -0.55 8.53 8.08 2qx5A1 ASN 773 HA 0.00 0.01 0.53 -0.75 4.76 4.55 2qx5A1 ASN 773 HB2 0.03 0.14 0.09 -0.04 2.88 3.09 2qx5A1 ASN 773 HB3 -0.01 -0.04 -0.07 -0.04 2.79 2.63 2qx5A1 ASN 773 HD21 0.03 0.16 0.04 -0.04 7.03 7.22 2qx5A1 ASN 773 HD22 0.03 0.03 -0.04 -0.04 7.74 7.72 2qx5A1 LEU 774 H 0.04 0.57 -0.09 -0.55 8.37 8.34 2qx5A1 LEU 774 HA 0.00 -0.01 0.46 -0.75 4.35 4.05 2qx5A1 LEU 774 HB2 0.07 0.13 0.14 -0.04 1.64 1.94 2qx5A1 LEU 774 HB3 0.06 -0.08 -0.03 -0.04 1.64 1.54 2qx5A1 LEU 774 HG 0.04 0.24 -0.08 -0.04 1.64 1.80 2qx5A1 LEU 774 HD13 0.05 -0.02 -0.10 -0.04 0.93 0.81 2qx5A1 LEU 774 HD23 0.02 -0.02 -0.03 -0.04 0.89 0.82 2qx5A1 LEU 775 H 0.06 0.69 -0.16 -0.55 8.37 8.41 2qx5A1 LEU 775 HA 0.02 -0.04 0.40 -0.75 4.35 3.98 2qx5A1 LEU 775 HB2 0.06 0.20 0.11 -0.04 1.64 1.97 2qx5A1 LEU 775 HB3 0.04 -0.03 -0.03 -0.04 1.64 1.57 2qx5A1 LEU 775 HG 0.14 0.01 -0.03 -0.04 1.64 1.72 2qx5A1 LEU 775 HD13 0.20 -0.00 -0.11 -0.04 0.93 0.98 2qx5A1 LEU 775 HD23 0.10 -0.02 -0.02 -0.04 0.89 0.91 2qx5A1 ILE 776 H -0.01 0.42 -0.22 -0.55 8.25 7.89 2qx5A1 ILE 776 HA -0.03 0.05 0.37 -0.75 4.18 3.82 2qx5A1 ILE 776 HB -0.03 0.08 0.15 -0.04 1.89 2.05 2qx5A1 ILE 776 HG12 -0.02 -0.01 -0.06 -0.04 1.49 1.36 2qx5A1 ILE 776 HG13 -0.00 0.12 0.01 -0.04 1.21 1.30 2qx5A1 ILE 776 HG23 -0.01 -0.02 -0.13 -0.04 0.93 0.73 2qx5A1 ILE 776 HD13 0.01 -0.02 -0.06 -0.04 0.88 0.77 2qx5A1 ILE 777 H -0.10 0.57 -0.21 -0.55 8.25 7.96 2qx5A1 ILE 777 HA -0.43 0.06 0.55 -0.75 4.18 3.60 2qx5A1 ILE 777 HB -0.12 0.11 0.14 -0.04 1.89 1.98 2qx5A1 ILE 777 HG12 -1.04 -0.04 -0.03 -0.04 1.49 0.34 2qx5A1 ILE 777 HG13 -0.31 0.11 0.01 -0.04 1.21 0.99 2qx5A1 ILE 777 HG23 -0.15 -0.03 -0.19 -0.04 0.93 0.53 2qx5A1 ILE 777 HD13 -0.11 -0.02 -0.13 -0.04 0.88 0.57 2qx5A1 THR 778 H -0.01 0.71 -0.04 -0.55 8.28 8.39 2qx5A1 THR 778 HA 0.08 -0.02 0.38 -0.75 4.39 4.08 2qx5A1 THR 778 HB -0.01 0.10 0.17 -0.04 4.32 4.54 2qx5A1 THR 778 HG23 -0.10 -0.02 -0.18 -0.04 1.22 0.88 2qx5A1 LEU 779 H -0.02 0.75 -0.08 -0.55 8.37 8.46 2qx5A1 LEU 779 HA -0.05 -0.01 0.39 -0.75 4.35 3.92 2qx5A1 LEU 779 HB2 -0.04 0.13 0.11 -0.04 1.64 1.80 2qx5A1 LEU 779 HB3 -0.05 -0.01 0.04 -0.04 1.64 1.57 2qx5A1 LEU 779 HG -0.04 0.07 0.05 -0.04 1.64 1.68 2qx5A1 LEU 779 HD13 -0.06 0.01 -0.02 -0.04 0.93 0.81 2qx5A1 LEU 779 HD23 -0.07 -0.02 0.03 -0.04 0.89 0.78 2qx5A1 SER 780 H 0.01 0.34 -0.51 -0.55 8.46 7.75 2qx5A1 SER 780 HA -0.06 0.04 0.60 -0.75 4.49 4.32 2qx5A1 SER 780 HB2 0.04 0.02 0.11 -0.04 3.95 4.07 2qx5A1 SER 780 HB3 0.12 0.22 0.22 -0.04 3.93 4.45 2qx5A1 CYS 781 H 0.11 0.63 -0.09 -0.55 8.50 8.60 2qx5A1 CYS 781 HA 0.04 0.03 0.65 -0.75 4.58 4.54 2qx5A1 CYS 781 HB2 0.18 0.18 0.16 -0.04 2.97 3.45 2qx5A1 CYS 781 HB3 0.25 -0.06 0.00 -0.04 2.97 3.13 2qx5A1 ILE 782 H -0.02 0.41 -0.29 -0.55 8.25 7.81 2qx5A1 ILE 782 HA -0.02 -0.01 0.46 -0.75 4.18 3.85 2qx5A1 ILE 782 HB -0.05 0.18 0.18 -0.04 1.89 2.15 2qx5A1 ILE 782 HG12 -0.02 -0.10 0.06 -0.04 1.49 1.39 2qx5A1 ILE 782 HG13 -0.01 0.15 0.08 -0.04 1.21 1.39 2qx5A1 ILE 782 HG23 -0.06 -0.02 -0.14 -0.04 0.93 0.67 2qx5A1 ILE 782 HD13 -0.11 0.01 -0.02 -0.04 0.88 0.71 2qx5A1 SER 783 H -0.11 0.52 -0.07 -0.55 8.46 8.25 2qx5A1 SER 783 HA -0.10 0.01 0.37 -0.75 4.49 4.02 2qx5A1 SER 783 HB2 -0.10 0.05 0.14 -0.04 3.95 4.00 2qx5A1 SER 783 HB3 -0.16 0.11 0.16 -0.04 3.93 4.00 2qx5A1 ASN 784 H -0.36 0.29 -0.58 -0.55 8.53 7.33 2qx5A1 ASN 784 HA -0.38 0.06 0.50 -0.75 4.76 4.19 2qx5A1 ASN 784 HB2 -1.35 0.09 0.18 -0.04 2.88 1.76 2qx5A1 ASN 784 HB3 -1.66 -0.07 0.03 -0.04 2.79 1.05 2qx5A1 ASN 784 HD21 -0.85 -0.05 0.02 -0.04 7.03 6.11 2qx5A1 ASN 784 HD22 -1.70 0.05 0.06 -0.04 7.74 6.11 2qx5A1 MET 785 H -0.18 0.56 -0.06 -0.55 8.47 8.24 2qx5A1 MET 785 HA -0.01 0.00 0.47 -0.75 4.52 4.23 2qx5A1 MET 785 HB2 -0.02 0.11 0.18 -0.04 2.15 2.38 2qx5A1 MET 785 HB3 -0.01 -0.06 -0.01 -0.04 2.03 1.91 2qx5A1 MET 785 HG2 0.11 0.26 0.06 -0.04 2.63 3.01 2qx5A1 MET 785 HG3 0.11 -0.02 -0.07 -0.04 2.56 2.53 2qx5A1 MET 785 HE3 0.06 0.00 -0.01 -0.04 2.10 2.12 2qx5A1 ILE 786 H -0.08 0.66 -0.10 -0.55 8.25 8.17 2qx5A1 ILE 786 HA -0.09 -0.02 0.36 -0.75 4.18 3.68 2qx5A1 ILE 786 HB -0.06 0.15 0.09 -0.04 1.89 2.03 2qx5A1 ILE 786 HG12 -0.05 -0.09 0.04 -0.04 1.49 1.34 2qx5A1 ILE 786 HG13 -0.06 0.13 0.08 -0.04 1.21 1.32 2qx5A1 ILE 786 HG23 -0.05 -0.02 -0.12 -0.04 0.93 0.71 2qx5A1 ILE 786 HD13 -0.05 -0.02 -0.12 -0.04 0.88 0.65 2qx5A1 HIS 787 H -0.01 0.40 -0.37 -0.55 8.41 7.89 2qx5A1 HIS 787 HA -0.08 0.02 0.42 -0.75 4.63 4.24 2qx5A1 HIS 787 HB2 -0.11 0.07 0.14 -0.04 3.26 3.32 2qx5A1 HIS 787 HB3 -0.13 0.17 0.17 -0.04 3.20 3.36 2qx5A1 HIS 787 HD2 -0.05 -0.01 0.02 -0.04 6.97 6.89 2qx5A1 HIS 787 HE1 -0.01 -0.03 -0.02 -0.04 7.75 7.64 2qx5A1 ILE 788 H -0.02 0.43 -0.18 -0.55 8.25 7.93 2qx5A1 ILE 788 HA -0.03 0.00 0.51 -0.75 4.18 3.91 2qx5A1 ILE 788 HB -0.01 0.10 0.24 -0.04 1.89 2.18 2qx5A1 ILE 788 HG12 0.14 -0.06 0.07 -0.04 1.49 1.60 2qx5A1 ILE 788 HG13 0.13 0.10 0.08 -0.04 1.21 1.47 2qx5A1 ILE 788 HG23 0.06 -0.03 -0.09 -0.04 0.93 0.83 2qx5A1 ILE 788 HD13 0.25 -0.02 -0.00 -0.04 0.88 1.07 2qx5A1 LEU 789 H -0.20 0.49 -0.21 -0.55 8.37 7.90 2qx5A1 LEU 789 HA -0.92 0.00 0.40 -0.75 4.35 3.08 2qx5A1 LEU 789 HB2 -0.20 0.10 0.10 -0.04 1.64 1.60 2qx5A1 LEU 789 HB3 -0.29 -0.09 0.06 -0.04 1.64 1.28 2qx5A1 LEU 789 HG -0.26 0.22 -0.01 -0.04 1.64 1.55 2qx5A1 LEU 789 HD13 -0.12 -0.03 -0.11 -0.04 0.93 0.63 2qx5A1 LEU 789 HD23 -0.80 -0.03 -0.05 -0.04 0.89 -0.03 2qx5A1 ASN 790 H -0.17 0.29 -0.32 -0.55 8.53 7.79 2qx5A1 ASN 790 HA -0.08 0.08 0.72 -0.75 4.76 4.73 2qx5A1 ASN 790 HB2 -0.15 0.09 0.14 -0.04 2.88 2.92 2qx5A1 ASN 790 HB3 -0.10 -0.09 0.03 -0.04 2.79 2.60 2qx5A1 ASN 790 HD21 -0.05 -0.07 -0.04 -0.04 7.03 6.83 2qx5A1 ASN 790 HD22 -0.05 -0.01 -0.06 -0.04 7.74 7.58 2qx5A1 GLU 791 H -0.14 0.26 -0.29 -0.55 8.60 7.88 2qx5A1 GLU 791 HA -0.09 -0.03 0.46 -0.75 4.29 3.88 2qx5A1 GLU 791 HB2 0.03 0.21 0.10 -0.04 2.09 2.40 2qx5A1 GLU 791 HB3 0.01 -0.21 0.06 -0.04 1.99 1.80 2qx5A1 GLU 791 HG2 -0.10 -0.08 0.09 -0.04 2.34 2.21 2qx5A1 GLU 791 HG3 -0.26 0.25 0.15 -0.04 2.34 2.44 2qx5A1 SER 792 H -0.01 0.08 0.20 -0.55 8.46 8.18 2qx5A1 SER 792 HA 0.02 0.19 0.52 -0.75 4.49 4.46 2qx5A1 SER 792 HB2 0.00 -0.07 0.17 -0.04 3.95 4.01 2qx5A1 SER 792 HB3 0.01 0.01 -0.01 -0.04 3.93 3.89 2qx5A1 LYS 793 H 0.02 0.04 -0.08 -0.55 8.42 7.85 2qx5A1 LYS 793 HA 0.00 0.04 0.28 -0.75 4.32 3.88 2qx5A1 LYS 793 HB2 0.00 -0.00 0.09 -0.04 1.87 1.93 2qx5A1 LYS 793 HB3 0.02 -0.04 0.09 -0.04 1.79 1.82 2qx5A1 LYS 793 HG2 0.06 -0.05 -0.09 -0.04 1.46 1.33 2qx5A1 LYS 793 HG3 0.05 0.06 -0.46 -0.04 1.46 1.07 2qx5A1 LYS 793 HD2 0.06 0.02 -0.04 -0.04 1.69 1.69 2qx5A1 LYS 793 HD3 0.02 -0.02 -0.01 -0.04 1.68 1.63 2qx5A1 LYS 793 HE2 0.02 -0.03 0.02 -0.04 2.99 2.97 2qx5A1 LYS 793 HE3 0.04 0.00 0.02 -0.04 2.99 3.01 2qx5A1 TYR 794 H 0.12 0.27 -1.13 -0.55 8.29 7.01 2qx5A1 TYR 794 HA -0.00 0.00 0.58 -0.75 4.56 4.38 2qx5A1 TYR 794 HB2 -0.02 0.04 0.02 -0.04 3.06 3.06 2qx5A1 TYR 794 HB3 -0.02 0.21 0.11 -0.04 2.98 3.24 2qx5A1 TYR 794 HD2 0.00 -0.01 -0.17 -0.04 7.15 6.93 2qx5A1 TYR 794 HE2 0.02 -0.10 -0.10 -0.04 6.85 6.63 2qx5A1 GLN 795 H -0.26 0.21 0.19 -0.55 8.47 8.07 2qx5A1 GLN 795 HA 0.02 0.22 1.01 -0.75 4.36 4.86 2qx5A1 GLN 795 HB2 -0.08 -0.04 0.20 -0.04 2.15 2.19 2qx5A1 GLN 795 HB3 -0.03 -0.06 0.02 -0.04 2.02 1.91 2qx5A1 GLN 795 HG2 -0.01 0.11 -0.17 -0.04 2.40 2.29 2qx5A1 GLN 795 HG3 -0.04 0.13 -0.13 -0.04 2.39 2.31 2qx5A1 GLN 795 HE21 -0.02 -0.05 0.00 -0.04 6.97 6.86 2qx5A1 GLN 795 HE22 -0.03 0.05 0.02 -0.04 7.69 7.68 2qx5A1 SER 796 H 0.10 0.40 0.17 -0.55 8.46 8.58 2qx5A1 SER 796 HA 0.01 0.16 0.64 -0.75 4.49 4.55 2qx5A1 SER 796 HB2 0.11 0.18 -0.11 -0.04 3.95 4.08 2qx5A1 SER 796 HB3 0.26 -0.01 0.01 -0.04 3.93 4.15 2qx5A1 SER 797 H 0.03 0.21 0.15 -0.55 8.46 8.31 2qx5A1 SER 797 HA 0.03 0.19 0.64 -0.75 4.49 4.59 2qx5A1 SER 797 HB2 0.01 0.04 0.13 -0.04 3.95 4.10 2qx5A1 SER 797 HB3 0.01 0.05 0.11 -0.04 3.93 4.05 2qx5A1 THR 798 H 0.05 0.06 -0.18 -0.55 8.28 7.67 2qx5A1 THR 798 HA 0.03 0.26 0.97 -0.75 4.39 4.89 2qx5A1 THR 798 HB 0.03 -0.02 0.12 -0.04 4.32 4.41 2qx5A1 THR 798 HG23 0.02 0.02 -0.08 -0.04 1.22 1.13 2qx5A1 LYS 799 H 0.07 0.23 -0.38 -0.55 8.42 7.79 2qx5A1 LYS 799 HA 0.04 0.07 0.40 -0.75 4.32 4.07 2qx5A1 LYS 799 HB2 0.10 0.17 0.18 -0.04 1.87 2.28 2qx5A1 LYS 799 HB3 0.03 -0.08 0.09 -0.04 1.79 1.79 2qx5A1 LYS 799 HG2 -0.03 -0.07 -0.05 -0.04 1.46 1.26 2qx5A1 LYS 799 HG3 0.06 0.02 0.09 -0.04 1.46 1.59 2qx5A1 LYS 799 HD2 0.01 -0.11 0.03 -0.04 1.69 1.58 2qx5A1 LYS 799 HD3 0.04 0.35 0.13 -0.04 1.68 2.16 2qx5A1 LYS 799 HE2 0.05 -0.11 0.11 -0.04 2.99 3.01 2qx5A1 LYS 799 HE3 0.05 0.02 0.11 -0.04 2.99 3.13 2qx5A1 GLY 800 H 0.01 0.17 -0.23 -0.55 8.43 7.85 2qx5A1 GLY 800 HA2 -0.01 0.09 0.31 -0.51 4.01 3.88 2qx5A1 GLY 800 HA3 -0.00 0.09 0.26 -0.51 4.01 3.84 2qx5A1 GLN 801 H 0.01 0.15 -0.20 -0.55 8.47 7.88 2qx5A1 GLN 801 HA 0.00 0.08 0.57 -0.75 4.36 4.26 2qx5A1 GLN 801 HB2 0.01 -0.00 0.09 -0.04 2.15 2.20 2qx5A1 GLN 801 HB3 0.01 0.04 0.09 -0.04 2.02 2.13 2qx5A1 GLN 801 HG2 0.01 0.01 -0.09 -0.04 2.40 2.30 2qx5A1 GLN 801 HG3 0.01 -0.01 0.09 -0.04 2.39 2.44 2qx5A1 GLN 801 HE21 0.01 0.01 -0.00 -0.04 6.97 6.95 2qx5A1 GLN 801 HE22 0.01 0.00 0.01 -0.04 7.69 7.67 2qx5A1 GLN 802 H 0.00 0.50 -0.24 -0.55 8.47 8.19 2qx5A1 GLN 802 HA 0.01 0.06 0.55 -0.75 4.36 4.22 2qx5A1 GLN 802 HB2 -0.02 0.19 0.16 -0.04 2.15 2.44 2qx5A1 GLN 802 HB3 -0.01 -0.03 -0.03 -0.04 2.02 1.90 2qx5A1 GLN 802 HG2 0.03 -0.02 -0.02 -0.04 2.40 2.35 2qx5A1 GLN 802 HG3 0.03 0.03 -0.06 -0.04 2.39 2.35 2qx5A1 GLN 802 HE21 0.14 -0.01 -0.11 -0.04 6.97 6.95 2qx5A1 GLN 802 HE22 0.07 -0.08 -0.24 -0.04 7.69 7.39 2qx5A1 ILE 803 H -0.03 0.52 0.03 -0.55 8.25 8.23 2qx5A1 ILE 803 HA -0.04 0.03 0.34 -0.75 4.18 3.75 2qx5A1 ILE 803 HB -0.03 0.06 0.16 -0.04 1.89 2.04 2qx5A1 ILE 803 HG12 -0.06 0.23 0.06 -0.04 1.49 1.68 2qx5A1 ILE 803 HG13 -0.05 0.00 -0.04 -0.04 1.21 1.08 2qx5A1 ILE 803 HG23 -0.04 -0.01 -0.11 -0.04 0.93 0.73 2qx5A1 ILE 803 HD13 -0.09 -0.01 -0.02 -0.04 0.88 0.72 2qx5A1 ASP 804 H -0.02 0.53 -0.15 -0.55 8.40 8.21 2qx5A1 ASP 804 HA -0.02 0.02 0.31 -0.75 4.63 4.19 2qx5A1 ASP 804 HB2 -0.01 0.05 0.14 -0.04 2.71 2.86 2qx5A1 ASP 804 HB3 -0.01 -0.03 -0.00 -0.04 2.70 2.62 2qx5A1 SER 805 H -0.00 0.45 -0.31 -0.55 8.46 8.04 2qx5A1 SER 805 HA -0.00 -0.02 0.40 -0.75 4.49 4.12 2qx5A1 SER 805 HB2 0.01 0.07 0.18 -0.04 3.95 4.17 2qx5A1 SER 805 HB3 0.01 0.13 0.19 -0.04 3.93 4.21 2qx5A1 LEU 806 H -0.01 0.55 -0.24 -0.55 8.37 8.12 2qx5A1 LEU 806 HA -0.02 0.02 0.59 -0.75 4.35 4.18 2qx5A1 LEU 806 HB2 -0.03 0.16 0.18 -0.04 1.64 1.90 2qx5A1 LEU 806 HB3 -0.03 -0.07 0.05 -0.04 1.64 1.55 2qx5A1 LEU 806 HG -0.00 0.15 0.01 -0.04 1.64 1.76 2qx5A1 LEU 806 HD13 -0.03 -0.03 -0.13 -0.04 0.93 0.70 2qx5A1 LEU 806 HD23 0.03 -0.02 -0.01 -0.04 0.89 0.85 2qx5A1 LYS 807 H -0.03 0.60 -0.03 -0.55 8.42 8.41 2qx5A1 LYS 807 HA -0.05 0.01 0.45 -0.75 4.32 3.99 2qx5A1 LYS 807 HB2 -0.03 0.11 0.16 -0.04 1.87 2.07 2qx5A1 LYS 807 HB3 -0.03 -0.05 0.04 -0.04 1.79 1.70 2qx5A1 LYS 807 HG2 -0.04 -0.02 0.01 -0.04 1.46 1.37 2qx5A1 LYS 807 HG3 -0.04 0.08 0.01 -0.04 1.46 1.48 2qx5A1 LYS 807 HD2 -0.03 -0.03 -0.10 -0.04 1.69 1.48 2qx5A1 LYS 807 HD3 -0.03 -0.01 -0.02 -0.04 1.68 1.57 2qx5A1 LYS 807 HE2 -0.03 0.01 -0.03 -0.04 2.99 2.90 2qx5A1 LYS 807 HE3 -0.04 -0.02 -0.06 -0.04 2.99 2.84 2qx5A1 ASN 808 H -0.03 0.47 -0.23 -0.55 8.53 8.19 2qx5A1 ASN 808 HA -0.03 0.02 0.54 -0.75 4.76 4.53 2qx5A1 ASN 808 HB2 -0.02 0.04 0.10 -0.04 2.88 2.96 2qx5A1 ASN 808 HB3 -0.02 0.14 0.13 -0.04 2.79 3.00 2qx5A1 ASN 808 HD21 -0.01 -0.02 -0.00 -0.04 7.03 6.95 2qx5A1 ASN 808 HD22 -0.02 0.00 0.03 -0.04 7.74 7.71 2qx5A1 VAL 809 H -0.08 0.40 -0.10 -0.55 8.24 7.92 2qx5A1 VAL 809 HA -0.20 0.07 0.45 -0.75 4.13 3.70 2qx5A1 VAL 809 HB -0.17 0.10 0.21 -0.04 2.12 2.21 2qx5A1 VAL 809 HG13 -0.78 -0.01 -0.10 -0.04 0.97 0.05 2qx5A1 VAL 809 HG23 -0.07 0.07 0.14 -0.04 0.95 1.04 2qx5A1 ALA 810 H -0.11 0.56 -0.06 -0.55 8.40 8.24 2qx5A1 ALA 810 HA -0.11 -0.00 0.40 -0.75 4.34 3.87 2qx5A1 ALA 810 HB3 -0.07 0.03 0.08 -0.04 1.41 1.42 2qx5A1 ARG 811 H -0.06 0.43 -0.42 -0.55 8.46 7.85 2qx5A1 ARG 811 HA -0.04 0.02 0.39 -0.75 4.34 3.96 2qx5A1 ARG 811 HB2 -0.03 0.06 0.16 -0.04 1.90 2.04 2qx5A1 ARG 811 HB3 -0.04 0.14 0.26 -0.04 1.80 2.11 2qx5A1 ARG 811 HG2 -0.02 -0.05 -0.21 -0.04 1.67 1.35 2qx5A1 ARG 811 HG3 -0.02 -0.04 0.04 -0.04 1.67 1.61 2qx5A1 GLN 812 H -0.06 0.65 0.01 -0.55 8.47 8.52 2qx5A1 GLN 812 HA -0.01 -0.05 0.54 -0.75 4.36 4.09 2qx5A1 GLN 812 HB2 -0.08 0.25 0.14 -0.04 2.15 2.42 2qx5A1 GLN 812 HB3 -0.03 -0.10 0.03 -0.04 2.02 1.88 2qx5A1 GLN 812 HG2 -0.01 -0.10 -0.00 -0.04 2.40 2.24 2qx5A1 GLN 812 HG3 -0.03 0.16 0.07 -0.04 2.39 2.55 2qx5A1 GLN 812 HE21 0.00 -0.01 -0.10 -0.04 6.97 6.82 2qx5A1 GLN 812 HE22 -0.01 -0.04 -0.06 -0.04 7.69 7.55 2qx5A1 CYS 813 H -0.09 0.59 -0.17 -0.55 8.50 8.28 2qx5A1 CYS 813 HA -0.03 -0.00 0.56 -0.75 4.58 4.36 2qx5A1 CYS 813 HB2 -0.09 0.13 0.13 -0.04 2.97 3.10 2qx5A1 CYS 813 HB3 -0.03 -0.06 0.00 -0.04 2.97 2.85 2qx5A1 MET 814 H -0.02 0.47 -0.25 -0.55 8.47 8.12 2qx5A1 MET 814 HA 0.01 0.03 0.38 -0.75 4.52 4.19 2qx5A1 MET 814 HB2 -0.02 0.18 0.26 -0.04 2.15 2.52 2qx5A1 MET 814 HB3 -0.02 -0.08 0.01 -0.04 2.03 1.91 2qx5A1 MET 814 HG2 -0.05 0.16 0.08 -0.04 2.63 2.77 2qx5A1 MET 814 HG3 -0.05 -0.03 0.04 -0.04 2.56 2.48 2qx5A1 MET 814 HE3 -0.12 0.00 -0.02 -0.04 2.10 1.92 2qx5A1 ILE 815 H 0.02 0.39 -0.10 -0.55 8.25 8.02 2qx5A1 ILE 815 HA 0.01 0.06 0.45 -0.75 4.18 3.95 2qx5A1 ILE 815 HB 0.01 -0.04 0.07 -0.04 1.89 1.88 2qx5A1 ILE 815 HG12 0.04 0.12 0.15 -0.04 1.49 1.76 2qx5A1 ILE 815 HG13 0.07 0.09 -0.31 -0.04 1.21 1.02 2qx5A1 ILE 815 HG23 0.00 0.08 0.08 -0.04 0.93 1.05 2qx5A1 ILE 815 HD13 0.03 -0.04 -0.01 -0.04 0.88 0.81 2qx5A1 TYR 816 H 0.14 0.50 -0.18 -0.55 8.29 8.21 2qx5A1 TYR 816 HA -0.03 -0.05 0.38 -0.75 4.56 4.11 2qx5A1 TYR 816 HB2 -0.01 -0.03 0.15 -0.04 3.06 3.13 2qx5A1 TYR 816 HB3 -0.02 0.15 0.24 -0.04 2.98 3.31 2qx5A1 TYR 816 HD2 0.01 0.02 -0.09 -0.04 7.15 7.05 2qx5A1 TYR 816 HE2 0.08 0.01 -0.33 -0.04 6.85 6.57 2qx5A1 ALA 817 H 0.15 0.89 -0.10 -0.55 8.40 8.80 2qx5A1 ALA 817 HA -0.04 -0.02 0.26 -0.75 4.34 3.79 2qx5A1 ALA 817 HB3 0.12 0.02 0.05 -0.04 1.41 1.56 2qx5A1 GLY 818 H 0.02 0.49 -0.32 -0.55 8.43 8.07 2qx5A1 GLY 818 HA2 -0.06 -0.02 0.34 -0.51 4.01 3.77 2qx5A1 GLY 818 HA3 -0.02 0.03 0.32 -0.51 4.01 3.83 2qx5A1 MET 819 H -0.14 0.55 -0.08 -0.55 8.47 8.26 2qx5A1 MET 819 HA -0.15 0.00 0.57 -0.75 4.52 4.19 2qx5A1 MET 819 HB2 -0.22 0.12 0.07 -0.04 2.15 2.09 2qx5A1 MET 819 HB3 -0.13 -0.07 0.07 -0.04 2.03 1.87 2qx5A1 MET 819 HG2 -0.06 -0.08 0.03 -0.04 2.63 2.48 2qx5A1 MET 819 HG3 -0.07 0.36 0.10 -0.04 2.56 2.91 2qx5A1 MET 819 HE3 -0.02 -0.00 -0.00 -0.04 2.10 2.03 2qx5A1 ILE 820 H -0.36 0.43 -0.42 -0.55 8.25 7.35 2qx5A1 ILE 820 HA -0.39 0.17 0.94 -0.75 4.18 4.14 2qx5A1 ILE 820 HB -1.02 -0.05 0.14 -0.04 1.89 0.92 2qx5A1 ILE 820 HG12 -0.63 0.22 -0.05 -0.04 1.49 0.99 2qx5A1 ILE 820 HG13 -0.37 0.11 -0.23 -0.04 1.21 0.68 2qx5A1 ILE 820 HG23 -0.89 0.00 -0.06 -0.04 0.93 -0.06 2qx5A1 ILE 820 HD13 -0.44 -0.03 -0.10 -0.04 0.88 0.27 2qx5A1 GLN 821 H -0.44 0.33 -0.28 -0.55 8.47 7.53 2qx5A1 GLN 821 HA -0.46 0.09 0.23 -0.75 4.36 3.46 2qx5A1 GLN 821 HB2 -1.87 -0.08 0.07 -0.04 2.15 0.23 2qx5A1 GLN 821 HB3 -0.87 0.10 0.18 -0.04 2.02 1.39 2qx5A1 GLN 821 HG2 -0.90 0.10 0.07 -0.04 2.40 1.63 2qx5A1 GLN 821 HG3 -1.80 -0.05 -0.24 -0.04 2.39 0.26 2qx5A1 GLN 821 HE21 -0.32 -0.04 -0.02 -0.04 6.97 6.55 2qx5A1 GLN 821 HE22 -0.86 -0.04 -0.07 -0.04 7.69 6.68 2qx5A1 TYR 822 H -0.32 0.14 -0.28 -0.55 8.29 7.27 2qx5A1 TYR 822 HA -0.13 0.20 0.79 -0.75 4.56 4.67 2qx5A1 TYR 822 HB2 -0.10 0.02 0.03 -0.04 3.06 2.98 2qx5A1 TYR 822 HB3 -0.07 -0.02 0.17 -0.04 2.98 3.01 2qx5A1 TYR 822 HD2 -0.11 0.03 -0.02 -0.04 7.15 7.02 2qx5A1 TYR 822 HE2 -0.09 -0.01 -0.02 -0.04 6.85 6.69 2qx5A1 ARG 823 H -0.14 0.48 -0.49 -0.55 8.46 7.76 2qx5A1 ARG 823 HA 0.05 0.13 0.81 -0.75 4.34 4.58 2qx5A1 ARG 823 HB2 -0.18 0.09 0.08 -0.04 1.90 1.85 2qx5A1 ARG 823 HB3 0.19 -0.02 0.18 -0.04 1.80 2.12 2qx5A1 ARG 823 HG2 0.09 -0.00 -0.00 -0.04 1.67 1.72 2qx5A1 ARG 823 HG3 0.03 -0.07 -0.31 -0.04 1.67 1.27 2qx5A1 ARG 823 HD2 0.32 0.02 -0.01 -0.04 3.22 3.51 2qx5A1 ARG 823 HD3 0.11 -0.04 -0.03 -0.04 3.22 3.23 2qx5A1 MET 824 H -0.01 0.42 -0.24 -0.55 8.47 8.10 2qx5A1 MET 824 HA 0.06 0.09 0.38 -0.75 4.52 4.29 2qx5A1 MET 824 HB2 0.06 -0.05 0.12 -0.04 2.15 2.24 2qx5A1 MET 824 HB3 0.03 0.11 -0.12 -0.04 2.03 2.01 2qx5A1 MET 824 HG2 -0.03 0.14 -0.06 -0.04 2.63 2.63 2qx5A1 MET 824 HG3 0.07 0.06 -0.31 -0.04 2.56 2.34 2qx5A1 MET 824 HE3 0.01 0.04 -0.15 -0.04 2.10 1.95 2qx5A1 PRO 825 HA 0.05 0.10 0.44 -0.51 4.44 4.52 2qx5A1 PRO 825 HB2 0.05 -0.18 0.05 -0.04 2.28 2.16 2qx5A1 PRO 825 HB3 0.04 0.10 0.14 -0.04 2.02 2.26 2qx5A1 PRO 825 HG2 0.05 -0.07 0.12 -0.04 2.03 2.09 2qx5A1 PRO 825 HG3 0.04 0.14 0.10 -0.04 2.03 2.27 2qx5A1 PRO 825 HD2 0.06 0.16 0.23 -0.04 3.68 4.09 2qx5A1 PRO 825 HD3 0.05 0.18 0.11 -0.04 3.65 3.95 2qx5A1 ARG 826 H 0.06 0.17 0.23 -0.55 8.46 8.36 2qx5A1 ARG 826 HA 0.10 0.19 0.45 -0.75 4.34 4.32 2qx5A1 ARG 826 HB2 0.08 0.04 0.19 -0.04 1.90 2.16 2qx5A1 ARG 826 HB3 0.07 -0.02 0.06 -0.04 1.80 1.86 2qx5A1 ARG 826 HG2 0.09 0.01 0.02 -0.04 1.67 1.74 2qx5A1 ARG 826 HG3 0.10 0.00 -0.02 -0.04 1.67 1.71 2qx5A1 ARG 826 HD2 0.10 0.01 0.08 -0.04 3.22 3.38 2qx5A1 ARG 826 HD3 0.11 0.04 0.03 -0.04 3.22 3.37 2qx5A1 GLU 827 H 0.05 0.06 -0.19 -0.55 8.60 7.98 2qx5A1 GLU 827 HA 0.04 0.07 0.32 -0.75 4.29 3.96 2qx5A1 GLU 827 HB2 0.04 0.01 0.09 -0.04 2.09 2.18 2qx5A1 GLU 827 HB3 0.04 -0.02 0.04 -0.04 1.99 2.02 2qx5A1 GLU 827 HG2 0.03 0.00 -0.12 -0.04 2.34 2.21 2qx5A1 GLU 827 HG3 0.03 0.01 0.01 -0.04 2.34 2.34 2qx5A1 THR 828 H 0.06 0.22 -0.33 -0.55 8.28 7.69 2qx5A1 THR 828 HA 0.03 0.10 0.57 -0.75 4.39 4.34 2qx5A1 THR 828 HB 0.04 0.02 0.01 -0.04 4.32 4.35 2qx5A1 THR 828 HG23 0.04 -0.01 0.01 -0.04 1.22 1.22 2qx5A1 TYR 829 H 0.15 0.50 -0.07 -0.55 8.29 8.33 2qx5A1 TYR 829 HA -0.03 0.06 0.43 -0.75 4.56 4.26 2qx5A1 TYR 829 HB2 -0.06 0.10 0.07 -0.04 3.06 3.13 2qx5A1 TYR 829 HB3 -0.04 0.03 0.11 -0.04 2.98 3.04 2qx5A1 TYR 829 HD2 -0.07 0.01 -0.11 -0.04 7.15 6.94 2qx5A1 TYR 829 HE2 -0.10 -0.03 -0.21 -0.04 6.85 6.48 2qx5A1 SER 830 H 0.06 0.40 -0.47 -0.55 8.46 7.90 2qx5A1 SER 830 HA -0.10 0.07 0.53 -0.75 4.49 4.23 2qx5A1 SER 830 HB2 0.06 0.00 0.03 -0.04 3.95 4.00 2qx5A1 SER 830 HB3 0.02 0.10 0.08 -0.04 3.93 4.09 2qx5A1 THR 831 H -0.02 0.34 -0.07 -0.55 8.28 7.98 2qx5A1 THR 831 HA -0.03 0.06 0.45 -0.75 4.39 4.12 2qx5A1 THR 831 HB -0.01 -0.03 0.10 -0.04 4.32 4.35 2qx5A1 THR 831 HG23 0.01 0.09 0.15 -0.04 1.22 1.43 2qx5A1 LEU 832 H -0.11 0.21 -0.64 -0.55 8.37 7.28 2qx5A1 LEU 832 HA -0.08 0.07 0.42 -0.75 4.35 4.00 2qx5A1 LEU 832 HB2 -0.06 0.01 -0.01 -0.04 1.64 1.55 2qx5A1 LEU 832 HB3 -0.19 0.09 0.05 -0.04 1.64 1.55 2qx5A1 LEU 832 HG -0.07 -0.04 -0.11 -0.04 1.64 1.38 2qx5A1 LEU 832 HD13 0.01 -0.01 -0.11 -0.04 0.93 0.77 2qx5A1 LEU 832 HD23 -0.20 0.01 -0.34 -0.04 0.89 0.32 2qx5A1 ILE 833 H -0.28 0.27 -0.22 -0.55 8.25 7.47 2qx5A1 ILE 833 HA -0.22 0.05 0.51 -0.75 4.18 3.76 2qx5A1 ILE 833 HB -0.56 0.17 0.18 -0.04 1.89 1.63 2qx5A1 ILE 833 HG12 -0.12 -0.06 0.01 -0.04 1.49 1.27 2qx5A1 ILE 833 HG13 -0.13 -0.03 0.05 -0.04 1.21 1.07 2qx5A1 ILE 833 HG23 -0.12 0.05 0.01 -0.04 0.93 0.83 2qx5A1 ILE 833 HD13 -0.25 -0.00 0.02 -0.04 0.88 0.61 2qx5A1 ASN 834 H -0.10 0.41 -0.33 -0.55 8.53 7.96 2qx5A1 ASN 834 HA -0.06 0.05 0.50 -0.75 4.76 4.50 2qx5A1 ASN 834 HB2 -0.05 0.09 0.17 -0.04 2.88 3.06 2qx5A1 ASN 834 HB3 -0.04 -0.07 0.14 -0.04 2.79 2.78 2qx5A1 ASN 834 HD21 -0.02 -0.07 -0.01 -0.04 7.03 6.89 2qx5A1 ASN 834 HD22 -0.02 -0.02 -0.01 -0.04 7.74 7.65 2qx5A1 ILE 835 H -0.07 0.52 -0.22 -0.55 8.25 7.93 2qx5A1 ILE 835 HA -0.05 0.14 0.59 -0.75 4.18 4.10 2qx5A1 ILE 835 HB -0.06 0.21 -0.37 -0.04 1.89 1.63 2qx5A1 ILE 835 HG12 -0.06 -0.05 -0.02 -0.04 1.49 1.31 2qx5A1 ILE 835 HG13 -0.05 -0.02 0.02 -0.04 1.21 1.11 2qx5A1 ILE 835 HG23 -0.07 0.01 -0.08 -0.04 0.93 0.75 2qx5A1 ILE 835 HD13 -0.04 -0.02 -0.12 -0.04 0.88 0.66