============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. HIS 8 0.900 6.700 -12.883 54.052 -99.200 -91.000 TRP 28 1.040 9.279 -16.106 36.272 -99.200 -91.000 TRP6 28 1.020 10.057 -17.525 38.038 -99.200 -91.000 TRP 46 1.040 19.565 -0.996 51.455 -99.200 -91.000 TRP6 46 1.020 17.238 -1.269 50.966 -99.200 -91.000 TRP 54 1.040 11.556 11.329 54.723 -99.200 -91.000 TRP6 54 1.020 9.366 10.707 54.103 -99.200 -91.000 HIS 81 0.900 33.960 -5.778 30.399 -99.200 -91.000 PHE 91 1.000 15.673 8.707 24.470 -99.200 -91.000 PHE 96 1.000 16.571 12.409 37.280 -99.200 -91.000 HIS 112 0.900 37.608 0.005 31.853 -99.200 -91.000 TYR 126 0.840 0.869 12.421 26.890 -99.200 -91.000 HIS 127 0.900 5.023 8.885 20.478 -99.200 -91.000 TYR 135 0.840 19.188 11.320 25.684 -99.200 -91.000 TRP 166 1.040 4.389 3.548 27.154 -99.200 -91.000 TRP6 166 1.020 2.104 3.903 26.684 -99.200 -91.000 TRP 187 1.040 10.493 12.003 32.893 -99.200 -91.000 TRP6 187 1.020 8.202 11.397 33.180 -99.200 -91.000 TYR 191 0.840 11.215 12.010 39.520 -99.200 -91.000 HIS 196 0.900 6.204 22.317 42.215 -99.200 -91.000 TYR 216 0.840 12.119 -6.511 31.760 -99.200 -91.000 TRP 221 1.040 17.798 -2.617 24.430 -99.200 -91.000 TRP6 221 1.020 18.068 -0.873 22.860 -99.200 -91.000 TRP 223 1.040 8.762 -6.351 20.034 -99.200 -91.000 TRP6 223 1.020 8.534 -3.986 19.872 -99.200 -91.000 TRP 235 1.040 10.791 7.212 15.137 -99.200 -91.000 TRP6 235 1.020 10.033 9.316 15.911 -99.200 -91.000 TYR 285 0.840 -2.539 -18.071 35.562 -99.200 -91.000 HIS 286 0.900 -5.487 -24.926 35.915 -99.200 -91.000 HIS 302 0.900 -9.156 -8.807 25.827 -99.200 -91.000 TYR 311 0.840 -1.425 -7.995 30.512 -99.200 -91.000 HIS 331 0.900 3.483 -5.040 59.188 -99.200 -91.000 TYR 349 0.840 -12.251 -1.847 40.804 -99.200 -91.000 TYR 354 0.840 -9.293 -1.772 44.903 -99.200 -91.000 TYR 385 0.840 3.864 12.819 38.882 -99.200 -91.000 PHE 425 1.000 4.922 11.146 50.419 -99.200 -91.000 TRP 433 1.040 6.203 19.383 47.744 -99.200 -91.000 TRP6 433 1.020 8.017 18.606 49.078 -99.200 -91.000 TYR 439 0.840 3.698 17.388 50.927 -99.200 -91.000 HIS 442 0.900 6.302 8.036 39.149 -99.200 -91.000 HIS 443 0.900 7.225 6.074 47.871 -99.200 -91.000 PHE 453 1.000 12.676 -4.426 50.525 -99.200 -91.000 TYR 454 0.840 7.643 -4.235 42.418 -99.200 -91.000 TYR 461 0.840 -1.454 3.445 37.643 -99.200 -91.000 TRP 464 1.040 -3.577 -3.537 30.295 -99.200 -91.000 TRP6 464 1.020 -5.361 -2.696 28.988 -99.200 -91.000 PHE 468 1.000 13.613 -6.185 36.465 -99.200 -91.000 TYR 470 0.840 16.297 -6.164 40.932 -99.200 -91.000 TRP 490 1.040 0.582 5.777 60.004 -99.200 -91.000 TRP6 490 1.020 -1.306 6.230 58.608 -99.200 -91.000 TYR 492 0.840 6.703 14.154 58.879 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ze9A1 ALA 1 HA -0.00 -0.04 0.17 -0.75 4.34 3.71 2ze9A1 ALA 1 HB3 -0.00 0.00 0.09 -0.04 1.41 1.46 2ze9A1 ASP 2 H -0.00 0.19 0.13 -0.55 8.40 8.17 2ze9A1 ASP 2 HA -0.00 0.18 0.76 -0.75 4.63 4.81 2ze9A1 ASP 2 HB2 -0.00 -0.01 0.08 -0.04 2.71 2.73 2ze9A1 ASP 2 HB3 -0.00 -0.03 0.13 -0.04 2.70 2.76 2ze9A1 THR 3 H -0.01 0.03 0.00 -0.55 8.28 7.76 2ze9A1 THR 3 HA -0.01 0.07 0.20 -0.75 4.39 3.90 2ze9A1 THR 3 HB -0.01 0.13 0.05 -0.04 4.32 4.45 2ze9A1 THR 3 HG23 -0.01 -0.02 0.10 -0.04 1.22 1.24 2ze9A1 PRO 4 HA -0.00 0.12 0.63 -0.51 4.44 4.68 2ze9A1 PRO 4 HB2 0.00 0.09 0.06 -0.04 2.28 2.39 2ze9A1 PRO 4 HB3 0.00 -0.00 0.18 -0.04 2.02 2.15 2ze9A1 PRO 4 HG2 -0.01 0.01 0.16 -0.04 2.03 2.16 2ze9A1 PRO 4 HG3 -0.00 -0.01 0.15 -0.04 2.03 2.13 2ze9A1 PRO 4 HD2 -0.01 0.05 0.27 -0.04 3.68 3.94 2ze9A1 PRO 4 HD3 -0.01 0.16 0.20 -0.04 3.65 3.96 2ze9A1 PRO 5 HA -0.01 0.06 0.33 -0.51 4.44 4.32 2ze9A1 PRO 5 HB2 -0.01 -0.01 0.01 -0.04 2.28 2.23 2ze9A1 PRO 5 HB3 -0.01 0.00 0.08 -0.04 2.02 2.05 2ze9A1 PRO 5 HG2 -0.01 0.03 0.09 -0.04 2.03 2.10 2ze9A1 PRO 5 HG3 -0.01 0.09 0.09 -0.04 2.03 2.16 2ze9A1 PRO 5 HD2 0.00 0.06 0.21 -0.04 3.68 3.91 2ze9A1 PRO 5 HD3 -0.00 0.16 0.28 -0.04 3.65 4.04 2ze9A1 THR 6 H -0.01 0.14 0.04 -0.55 8.28 7.91 2ze9A1 THR 6 HA 0.02 0.26 0.95 -0.75 4.39 4.87 2ze9A1 THR 6 HB 0.00 -0.19 0.16 -0.04 4.32 4.25 2ze9A1 THR 6 HG23 -0.01 0.08 -0.08 -0.04 1.22 1.17 2ze9A1 PRO 7 HA -0.09 0.08 0.35 -0.51 4.44 4.26 2ze9A1 PRO 7 HB2 -0.41 0.11 -0.06 -0.04 2.28 1.88 2ze9A1 PRO 7 HB3 -0.14 0.07 0.06 -0.04 2.02 1.97 2ze9A1 PRO 7 HG2 -0.07 -0.03 0.04 -0.04 2.03 1.94 2ze9A1 PRO 7 HG3 -0.06 0.11 0.02 -0.04 2.03 2.06 2ze9A1 PRO 7 HD2 0.03 0.32 -0.10 -0.04 3.68 3.89 2ze9A1 PRO 7 HD3 -0.02 0.10 -0.21 -0.04 3.65 3.48 2ze9A1 HIS 8 H 0.01 0.11 -0.23 -0.55 8.41 7.75 2ze9A1 HIS 8 HA -0.04 0.20 0.45 -0.75 4.63 4.48 2ze9A1 HIS 8 HB2 -0.05 -0.08 0.02 -0.04 3.26 3.12 2ze9A1 HIS 8 HB3 -0.05 0.06 -0.04 -0.04 3.20 3.13 2ze9A1 HIS 8 HD2 -0.05 0.09 -0.21 -0.04 6.97 6.76 2ze9A1 HIS 8 HE1 -0.02 0.04 -0.02 -0.04 7.75 7.70 2ze9A1 LEU 9 H 0.06 0.08 -0.10 -0.55 8.37 7.86 2ze9A1 LEU 9 HA -0.02 0.04 0.41 -0.75 4.35 4.03 2ze9A1 LEU 9 HB2 -0.00 0.03 0.09 -0.04 1.64 1.71 2ze9A1 LEU 9 HB3 -0.01 0.03 -0.10 -0.04 1.64 1.52 2ze9A1 LEU 9 HG -0.04 -0.02 -0.01 -0.04 1.64 1.53 2ze9A1 LEU 9 HD13 -0.04 0.06 -0.23 -0.04 0.93 0.68 2ze9A1 LEU 9 HD23 -0.06 0.01 -0.18 -0.04 0.89 0.62 2ze9A1 ASP 10 H -0.02 0.68 -0.21 -0.55 8.40 8.31 2ze9A1 ASP 10 HA -0.01 -0.00 0.42 -0.75 4.63 4.27 2ze9A1 ASP 10 HB2 -0.04 0.13 0.04 -0.04 2.71 2.80 2ze9A1 ASP 10 HB3 -0.03 -0.02 -0.05 -0.04 2.70 2.56 2ze9A1 ALA 11 H -0.05 0.37 -0.30 -0.55 8.40 7.88 2ze9A1 ALA 11 HA -0.05 0.04 0.53 -0.75 4.34 4.11 2ze9A1 ALA 11 HB3 -0.06 0.04 0.10 -0.04 1.41 1.45 2ze9A1 ILE 12 H -0.05 0.52 -0.08 -0.55 8.25 8.08 2ze9A1 ILE 12 HA -0.12 0.03 0.44 -0.75 4.18 3.78 2ze9A1 ILE 12 HB -0.07 0.04 0.05 -0.04 1.89 1.87 2ze9A1 ILE 12 HG12 -0.07 0.06 -0.15 -0.04 1.49 1.28 2ze9A1 ILE 12 HG13 -0.05 0.08 -0.18 -0.04 1.21 1.02 2ze9A1 ILE 12 HG23 -0.15 -0.03 -0.15 -0.04 0.93 0.56 2ze9A1 ILE 12 HD13 -0.02 -0.03 -0.23 -0.04 0.88 0.55 2ze9A1 GLU 13 H -0.08 0.60 -0.18 -0.55 8.60 8.40 2ze9A1 GLU 13 HA -0.30 -0.02 0.35 -0.75 4.29 3.56 2ze9A1 GLU 13 HB2 0.02 -0.02 0.04 -0.04 2.09 2.08 2ze9A1 GLU 13 HB3 -0.02 0.11 0.09 -0.04 1.99 2.13 2ze9A1 GLU 13 HG2 0.06 0.04 -0.38 -0.04 2.34 2.01 2ze9A1 GLU 13 HG3 0.21 -0.07 -0.02 -0.04 2.34 2.41 2ze9A1 ARG 14 H -0.08 0.48 -0.22 -0.55 8.46 8.09 2ze9A1 ARG 14 HA -0.04 0.02 0.46 -0.75 4.34 4.03 2ze9A1 ARG 14 HB2 -0.06 0.18 0.15 -0.04 1.90 2.12 2ze9A1 ARG 14 HB3 -0.05 -0.02 -0.14 -0.04 1.80 1.55 2ze9A1 ARG 14 HG2 -0.02 -0.04 0.04 -0.04 1.67 1.61 2ze9A1 ARG 14 HG3 -0.03 0.03 0.02 -0.04 1.67 1.65 2ze9A1 ARG 14 HD2 -0.02 -0.00 -0.06 -0.04 3.22 3.10 2ze9A1 ARG 14 HD3 -0.01 -0.03 -0.02 -0.04 3.22 3.12 2ze9A1 SER 15 H -0.13 0.44 -0.23 -0.55 8.46 7.99 2ze9A1 SER 15 HA -0.12 0.01 0.41 -0.75 4.49 4.04 2ze9A1 SER 15 HB2 -0.11 0.07 0.09 -0.04 3.95 3.96 2ze9A1 SER 15 HB3 -0.19 0.15 0.13 -0.04 3.93 3.98 2ze9A1 LEU 16 H -0.43 0.65 -0.07 -0.55 8.37 7.97 2ze9A1 LEU 16 HA -0.58 -0.03 0.43 -0.75 4.35 3.41 2ze9A1 LEU 16 HB2 -1.57 0.08 0.04 -0.04 1.64 0.16 2ze9A1 LEU 16 HB3 -2.50 -0.04 -0.08 -0.04 1.64 -1.03 2ze9A1 LEU 16 HG -0.54 0.24 -0.03 -0.04 1.64 1.27 2ze9A1 LEU 16 HD13 -0.55 -0.03 -0.14 -0.04 0.93 0.17 2ze9A1 LEU 16 HD23 -0.42 -0.06 -0.10 -0.04 0.89 0.28 2ze9A1 ARG 17 H -0.36 0.66 -0.21 -0.55 8.46 7.99 2ze9A1 ARG 17 HA 0.29 0.01 0.40 -0.75 4.34 4.28 2ze9A1 ARG 17 HB2 0.22 0.05 0.09 -0.04 1.90 2.21 2ze9A1 ARG 17 HB3 0.06 0.06 0.02 -0.04 1.80 1.89 2ze9A1 ARG 17 HG2 0.13 -0.01 0.03 -0.04 1.67 1.78 2ze9A1 ARG 17 HG3 0.33 -0.03 0.09 -0.04 1.67 2.01 2ze9A1 ARG 17 HD2 0.12 0.00 -0.02 -0.04 3.22 3.28 2ze9A1 ARG 17 HD3 0.11 -0.01 0.01 -0.04 3.22 3.29 2ze9A1 ASP 18 H -0.11 0.46 -0.29 -0.55 8.40 7.92 2ze9A1 ASP 18 HA 0.00 0.05 0.69 -0.75 4.63 4.61 2ze9A1 ASP 18 HB2 -0.01 0.04 0.08 -0.04 2.71 2.77 2ze9A1 ASP 18 HB3 -0.04 0.06 0.15 -0.04 2.70 2.83 2ze9A1 THR 19 H -0.23 0.60 -0.00 -0.55 8.28 8.09 2ze9A1 THR 19 HA -0.66 -0.03 0.42 -0.75 4.39 3.36 2ze9A1 THR 19 HB -0.36 0.03 0.09 -0.04 4.32 4.04 2ze9A1 THR 19 HG23 -0.63 -0.03 -0.24 -0.04 1.22 0.28 2ze9A1 SER 20 H -0.09 0.68 -0.05 -0.55 8.46 8.45 2ze9A1 SER 20 HA 0.04 0.14 0.94 -0.75 4.49 4.86 2ze9A1 SER 20 HB2 0.22 -0.06 0.15 -0.04 3.95 4.22 2ze9A1 SER 20 HB3 0.13 0.02 0.17 -0.04 3.93 4.21 2ze9A1 PRO 21 HA 0.33 0.05 0.33 -0.51 4.44 4.64 2ze9A1 PRO 21 HB2 0.08 -0.01 0.01 -0.04 2.28 2.32 2ze9A1 PRO 21 HB3 0.12 0.16 0.18 -0.04 2.02 2.43 2ze9A1 PRO 21 HG2 0.06 -0.00 -0.11 -0.04 2.03 1.93 2ze9A1 PRO 21 HG3 0.05 0.06 0.11 -0.04 2.03 2.22 2ze9A1 PRO 21 HD2 0.06 0.02 -0.05 -0.04 3.68 3.67 2ze9A1 PRO 21 HD3 0.05 0.29 -0.28 -0.04 3.65 3.66 2ze9A1 GLY 22 H 0.09 0.10 -0.34 -0.55 8.43 7.73 2ze9A1 GLY 22 HA2 0.01 0.14 0.23 -0.51 4.01 3.89 2ze9A1 GLY 22 HA3 0.03 -0.06 0.24 -0.51 4.01 3.71 2ze9A1 LEU 23 H 0.13 0.35 -0.45 -0.55 8.37 7.85 2ze9A1 LEU 23 HA -0.01 0.14 0.62 -0.75 4.35 4.35 2ze9A1 LEU 23 HB2 0.24 0.18 0.07 -0.04 1.64 2.08 2ze9A1 LEU 23 HB3 0.16 -0.22 0.13 -0.04 1.64 1.67 2ze9A1 LEU 23 HG 0.05 -0.03 0.02 -0.04 1.64 1.64 2ze9A1 LEU 23 HD13 0.04 0.01 -0.14 -0.04 0.93 0.80 2ze9A1 LEU 23 HD23 0.08 0.03 0.04 -0.04 0.89 1.00 2ze9A1 GLU 24 H -0.18 0.38 -0.26 -0.55 8.60 7.99 2ze9A1 GLU 24 HA -1.60 0.10 0.57 -0.75 4.29 2.61 2ze9A1 GLU 24 HB2 -0.76 -0.00 0.11 -0.04 2.09 1.40 2ze9A1 GLU 24 HB3 -0.37 0.11 0.15 -0.04 1.99 1.85 2ze9A1 GLU 24 HG2 -0.54 0.02 -0.16 -0.04 2.34 1.62 2ze9A1 GLU 24 HG3 -1.56 -0.09 0.04 -0.04 2.34 0.68 2ze9A1 GLY 25 H -0.50 0.65 0.41 -0.55 8.43 8.44 2ze9A1 GLY 25 HA2 -0.16 -0.05 0.35 -0.51 4.01 3.63 2ze9A1 GLY 25 HA3 -0.17 0.15 0.68 -0.51 4.01 4.16 2ze9A1 SER 26 H -0.15 0.35 -0.28 -0.55 8.46 7.83 2ze9A1 SER 26 HA 0.01 0.14 0.59 -0.75 4.49 4.48 2ze9A1 SER 26 HB2 0.01 -0.02 -0.03 -0.04 3.95 3.87 2ze9A1 SER 26 HB3 -0.02 0.06 -0.08 -0.04 3.93 3.85 2ze9A1 VAL 27 H 0.05 0.31 0.22 -0.55 8.24 8.27 2ze9A1 VAL 27 HA 0.40 0.10 0.52 -0.75 4.13 4.40 2ze9A1 VAL 27 HB 0.18 0.04 0.09 -0.04 2.12 2.38 2ze9A1 VAL 27 HG13 0.24 -0.02 -0.18 -0.04 0.97 0.97 2ze9A1 VAL 27 HG23 0.09 0.01 -0.06 -0.04 0.95 0.95 2ze9A1 TRP 28 H -0.02 0.42 0.11 -0.55 7.97 7.93 2ze9A1 TRP 28 HA 0.06 0.26 0.46 -0.75 4.62 4.65 2ze9A1 TRP 28 HB2 -0.01 0.06 0.16 -0.04 3.23 3.40 2ze9A1 TRP 28 HB3 -0.01 -0.04 -0.07 -0.04 3.23 3.07 2ze9A1 TRP 28 HD1 -0.02 -0.04 -0.19 -0.04 7.22 6.93 2ze9A1 TRP 28 HE1 -0.03 0.51 -0.14 -0.04 10.20 10.50 2ze9A1 TRP 28 HE3 -0.01 0.01 -0.21 -0.04 7.59 7.34 2ze9A1 TRP 28 HZ2 -0.02 0.05 -0.19 -0.04 7.44 7.23 2ze9A1 TRP 28 HZ3 -0.01 -0.06 -0.04 -0.04 7.13 6.98 2ze9A1 TRP 28 HH2 -0.02 0.04 -0.04 -0.04 7.19 7.13 2ze9A1 GLN 29 H 0.33 0.69 0.22 -0.55 8.47 9.16 2ze9A1 GLN 29 HA -0.21 -0.00 0.43 -0.75 4.36 3.82 2ze9A1 GLN 29 HB2 -0.07 0.05 -0.14 -0.04 2.15 1.95 2ze9A1 GLN 29 HB3 0.06 -0.07 -0.05 -0.04 2.02 1.92 2ze9A1 GLN 29 HG2 -0.03 0.18 -0.14 -0.04 2.40 2.37 2ze9A1 GLN 29 HG3 -0.18 -0.02 0.14 -0.04 2.39 2.28 2ze9A1 GLN 29 HE21 -0.05 0.03 0.00 -0.04 6.97 6.91 2ze9A1 GLN 29 HE22 -0.09 0.01 0.02 -0.04 7.69 7.59 2ze9A1 ARG 30 H 0.15 0.15 0.15 -0.55 8.46 8.35 2ze9A1 ARG 30 HA 0.12 0.24 1.07 -0.75 4.34 5.02 2ze9A1 ARG 30 HB2 0.24 -0.04 0.09 -0.04 1.90 2.16 2ze9A1 ARG 30 HB3 0.15 -0.01 0.11 -0.04 1.80 2.01 2ze9A1 ARG 30 HG2 0.05 -0.03 -0.27 -0.04 1.67 1.38 2ze9A1 ARG 30 HG3 0.05 0.11 0.00 -0.04 1.67 1.79 2ze9A1 ARG 30 HD2 0.06 -0.02 -0.09 -0.04 3.22 3.13 2ze9A1 ARG 30 HD3 0.08 0.00 -0.08 -0.04 3.22 3.17 2ze9A1 THR 31 H 0.02 0.80 0.41 -0.55 8.28 8.96 2ze9A1 THR 31 HA 0.00 0.16 0.69 -0.75 4.39 4.49 2ze9A1 THR 31 HB -0.01 0.16 0.01 -0.04 4.32 4.43 2ze9A1 THR 31 HG23 0.01 -0.00 -0.27 -0.04 1.22 0.91 2ze9A1 ASP 32 H -0.01 0.19 0.17 -0.55 8.40 8.20 2ze9A1 ASP 32 HA -0.03 0.10 0.85 -0.75 4.63 4.80 2ze9A1 ASP 32 HB2 -0.02 0.04 0.10 -0.04 2.71 2.79 2ze9A1 ASP 32 HB3 -0.02 0.03 0.10 -0.04 2.70 2.77 2ze9A1 GLY 33 H -0.04 0.16 -0.06 -0.55 8.43 7.94 2ze9A1 GLY 33 HA2 -0.04 0.25 0.26 -0.51 4.01 3.98 2ze9A1 GLY 33 HA3 -0.03 0.10 0.27 -0.51 4.01 3.84 2ze9A1 ASN 34 H -0.07 0.48 -0.01 -0.55 8.53 8.38 2ze9A1 ASN 34 HA -0.07 0.21 1.06 -0.75 4.76 5.21 2ze9A1 ASN 34 HB2 -0.14 0.14 -0.00 -0.04 2.88 2.84 2ze9A1 ASN 34 HB3 -0.16 0.03 0.04 -0.04 2.79 2.66 2ze9A1 ASN 34 HD21 -0.06 -0.05 -0.26 -0.04 7.03 6.62 2ze9A1 ASN 34 HD22 -0.09 0.21 -0.12 -0.04 7.74 7.70 2ze9A1 ARG 35 H -0.09 0.70 0.35 -0.55 8.46 8.87 2ze9A1 ARG 35 HA -0.10 0.06 0.96 -0.75 4.34 4.51 2ze9A1 ARG 35 HB2 -0.04 0.02 -0.62 -0.04 1.90 1.21 2ze9A1 ARG 35 HB3 -0.04 -0.01 -0.02 -0.04 1.80 1.69 2ze9A1 ARG 35 HG2 -0.03 0.04 -0.24 -0.04 1.67 1.40 2ze9A1 ARG 35 HG3 -0.04 -0.09 0.07 -0.04 1.67 1.57 2ze9A1 ARG 35 HD2 -0.01 0.10 0.08 -0.04 3.22 3.35 2ze9A1 ARG 35 HD3 -0.01 -0.00 -0.03 -0.04 3.22 3.14 2ze9A1 LEU 36 H -0.18 0.13 0.14 -0.55 8.37 7.92 2ze9A1 LEU 36 HA -0.19 0.16 0.90 -0.75 4.35 4.47 2ze9A1 LEU 36 HB2 -0.58 -0.03 0.20 -0.04 1.64 1.19 2ze9A1 LEU 36 HB3 -1.04 0.06 0.04 -0.04 1.64 0.66 2ze9A1 LEU 36 HG -0.45 -0.07 -0.03 -0.04 1.64 1.04 2ze9A1 LEU 36 HD13 -1.49 -0.01 -0.02 -0.04 0.93 -0.63 2ze9A1 LEU 36 HD23 -0.44 0.02 -0.08 -0.04 0.89 0.34 2ze9A1 ASP 37 H 0.07 0.47 0.23 -0.55 8.40 8.62 2ze9A1 ASP 37 HA 0.06 0.02 0.04 -0.75 4.63 3.99 2ze9A1 ASP 37 HB2 0.05 -0.10 -0.19 -0.04 2.71 2.44 2ze9A1 ASP 37 HB3 0.10 0.01 0.01 -0.04 2.70 2.79 2ze9A1 ALA 38 H 0.12 0.25 0.29 -0.55 8.40 8.51 2ze9A1 ALA 38 HA 0.14 0.21 0.76 -0.75 4.34 4.70 2ze9A1 ALA 38 HB3 0.23 0.00 0.04 -0.04 1.41 1.63 2ze9A1 PRO 39 HA 0.04 0.11 0.55 -0.51 4.44 4.63 2ze9A1 PRO 39 HB2 0.03 0.09 -0.10 -0.04 2.28 2.26 2ze9A1 PRO 39 HB3 0.03 0.01 0.06 -0.04 2.02 2.09 2ze9A1 PRO 39 HG2 0.04 0.04 0.01 -0.04 2.03 2.07 2ze9A1 PRO 39 HG3 0.05 0.07 -0.03 -0.04 2.03 2.07 2ze9A1 PRO 39 HD2 0.05 0.12 0.16 -0.04 3.68 3.97 2ze9A1 PRO 39 HD3 0.08 0.25 0.10 -0.04 3.65 4.03 2ze9A1 ASP 40 H 0.03 0.13 0.11 -0.55 8.40 8.13 2ze9A1 ASP 40 HA 0.03 0.03 0.37 -0.75 4.63 4.31 2ze9A1 ASP 40 HB2 0.02 0.03 -0.02 -0.04 2.71 2.69 2ze9A1 ASP 40 HB3 0.02 0.01 0.07 -0.04 2.70 2.76 2ze9A1 GLY 41 H 0.03 0.12 0.14 -0.55 8.43 8.17 2ze9A1 GLY 41 HA2 0.02 -0.01 0.32 -0.51 4.01 3.83 2ze9A1 GLY 41 HA3 0.02 0.10 0.49 -0.51 4.01 4.12 2ze9A1 ASP 42 H 0.03 0.27 -0.37 -0.55 8.40 7.78 2ze9A1 ASP 42 HA 0.01 0.10 0.58 -0.75 4.63 4.57 2ze9A1 ASP 42 HB2 0.02 0.10 -0.36 -0.04 2.71 2.43 2ze9A1 ASP 42 HB3 0.03 0.05 -0.07 -0.04 2.70 2.67 2ze9A1 PRO 43 HA 0.10 0.16 0.32 -0.51 4.44 4.51 2ze9A1 PRO 43 HB2 0.07 0.03 0.00 -0.04 2.28 2.34 2ze9A1 PRO 43 HB3 0.08 0.05 0.08 -0.04 2.02 2.19 2ze9A1 PRO 43 HG2 0.03 0.07 0.03 -0.04 2.03 2.12 2ze9A1 PRO 43 HG3 0.04 0.01 0.04 -0.04 2.03 2.08 2ze9A1 PRO 43 HD2 0.02 0.10 0.07 -0.04 3.68 3.83 2ze9A1 PRO 43 HD3 0.03 0.15 -0.22 -0.04 3.65 3.57 2ze9A1 ALA 44 H -0.02 0.15 -0.16 -0.55 8.40 7.83 2ze9A1 ALA 44 HA -0.27 0.13 0.75 -0.75 4.34 4.20 2ze9A1 ALA 44 HB3 -0.22 0.01 0.09 -0.04 1.41 1.26 2ze9A1 GLY 45 H -0.01 0.48 -0.45 -0.55 8.43 7.90 2ze9A1 GLY 45 HA2 -0.08 0.06 0.36 -0.51 4.01 3.84 2ze9A1 GLY 45 HA3 0.01 0.14 0.33 -0.51 4.01 3.97 2ze9A1 TRP 46 H 0.11 0.05 -0.53 -0.55 7.97 7.05 2ze9A1 TRP 46 HA 0.03 0.30 0.55 -0.75 4.62 4.75 2ze9A1 TRP 46 HB2 0.04 0.04 -0.01 -0.04 3.23 3.25 2ze9A1 TRP 46 HB3 0.03 0.02 -0.61 -0.04 3.23 2.62 2ze9A1 TRP 46 HD1 0.02 0.24 0.02 -0.04 7.22 7.46 2ze9A1 TRP 46 HE1 0.01 -0.02 0.04 -0.04 10.20 10.20 2ze9A1 TRP 46 HE3 0.07 -0.07 -0.32 -0.04 7.59 7.22 2ze9A1 TRP 46 HZ2 -0.06 0.08 0.09 -0.04 7.44 7.51 2ze9A1 TRP 46 HZ3 0.09 -0.02 -0.07 -0.04 7.13 7.09 2ze9A1 TRP 46 HH2 -0.54 -0.01 -0.07 -0.04 7.19 6.53 2ze9A1 LEU 47 H -0.85 0.47 -0.25 -0.55 8.37 7.19 2ze9A1 LEU 47 HA -0.21 0.06 0.79 -0.75 4.35 4.24 2ze9A1 LEU 47 HB2 -2.35 -0.09 0.04 -0.04 1.64 -0.80 2ze9A1 LEU 47 HB3 -0.90 0.15 0.20 -0.04 1.64 1.06 2ze9A1 LEU 47 HG -0.29 -0.02 -0.14 -0.04 1.64 1.15 2ze9A1 LEU 47 HD13 -0.22 0.01 -0.04 -0.04 0.93 0.64 2ze9A1 LEU 47 HD23 -0.41 -0.02 -0.06 -0.04 0.89 0.36 2ze9A1 LEU 48 H 0.01 0.43 0.05 -0.55 8.37 8.32 2ze9A1 LEU 48 HA -0.01 0.18 0.58 -0.75 4.35 4.34 2ze9A1 LEU 48 HB2 0.06 -0.15 -0.02 -0.04 1.64 1.48 2ze9A1 LEU 48 HB3 0.04 -0.03 -0.02 -0.04 1.64 1.59 2ze9A1 LEU 48 HG 0.08 0.07 -0.30 -0.04 1.64 1.45 2ze9A1 LEU 48 HD13 0.08 -0.01 -0.13 -0.04 0.93 0.83 2ze9A1 LEU 48 HD23 0.04 0.03 -0.21 -0.04 0.89 0.71 2ze9A1 GLN 49 H -0.00 0.28 0.09 -0.55 8.47 8.30 2ze9A1 GLN 49 HA 0.06 0.17 0.82 -0.75 4.36 4.65 2ze9A1 GLN 49 HB2 0.16 0.04 0.09 -0.04 2.15 2.39 2ze9A1 GLN 49 HB3 0.05 -0.01 -0.00 -0.04 2.02 2.02 2ze9A1 GLN 49 HG2 0.07 0.09 0.07 -0.04 2.40 2.59 2ze9A1 GLN 49 HG3 0.13 -0.16 -0.17 -0.04 2.39 2.14 2ze9A1 GLN 49 HE21 0.19 0.31 -0.11 -0.04 6.97 7.32 2ze9A1 GLN 49 HE22 0.04 0.03 -0.03 -0.04 7.69 7.69 2ze9A1 THR 50 H 0.11 0.65 0.29 -0.55 8.28 8.78 2ze9A1 THR 50 HA 0.06 -0.03 0.43 -0.75 4.39 4.10 2ze9A1 THR 50 HB 0.10 0.06 -0.27 -0.04 4.32 4.17 2ze9A1 THR 50 HG23 0.22 0.02 -0.12 -0.04 1.22 1.30 2ze9A1 PRO 51 HA 0.03 0.03 0.34 -0.51 4.44 4.33 2ze9A1 PRO 51 HB2 -0.02 0.00 -0.08 -0.04 2.28 2.13 2ze9A1 PRO 51 HB3 -0.04 0.17 0.09 -0.04 2.02 2.20 2ze9A1 PRO 51 HG2 0.10 -0.10 -0.05 -0.04 2.03 1.94 2ze9A1 PRO 51 HG3 0.04 0.17 -0.04 -0.04 2.03 2.15 2ze9A1 PRO 51 HD2 0.04 0.00 0.35 -0.04 3.68 4.03 2ze9A1 PRO 51 HD3 0.09 0.38 -0.14 -0.04 3.65 3.95 2ze9A1 GLY 52 H -0.07 0.21 -0.32 -0.55 8.43 7.71 2ze9A1 GLY 52 HA2 -0.09 0.09 0.28 -0.51 4.01 3.78 2ze9A1 GLY 52 HA3 0.06 0.05 0.49 -0.51 4.01 4.09 2ze9A1 CYS 53 H -0.34 0.11 -0.16 -0.55 8.50 7.57 2ze9A1 CYS 53 HA 0.04 0.28 0.69 -0.75 4.58 4.84 2ze9A1 CYS 53 HB2 0.06 -0.15 0.04 -0.04 2.97 2.88 2ze9A1 CYS 53 HB3 0.01 0.10 -0.33 -0.04 2.97 2.71 2ze9A1 TRP 54 H 0.12 0.12 -0.03 -0.55 7.97 7.62 2ze9A1 TRP 54 HA -0.05 0.15 0.49 -0.75 4.62 4.46 2ze9A1 TRP 54 HB2 0.09 -0.00 0.10 -0.04 3.23 3.37 2ze9A1 TRP 54 HB3 0.18 0.08 0.04 -0.04 3.23 3.48 2ze9A1 TRP 54 HD1 0.07 -0.00 0.03 -0.04 7.22 7.27 2ze9A1 TRP 54 HE1 0.08 0.05 0.07 -0.04 10.20 10.36 2ze9A1 TRP 54 HE3 0.10 0.11 0.03 -0.04 7.59 7.79 2ze9A1 TRP 54 HZ2 0.21 -0.02 0.02 -0.04 7.44 7.61 2ze9A1 TRP 54 HZ3 -0.12 0.18 -0.00 -0.04 7.13 7.14 2ze9A1 TRP 54 HH2 0.45 -0.01 -0.04 -0.04 7.19 7.56 2ze9A1 GLY 55 H -0.28 0.84 0.52 -0.55 8.43 8.96 2ze9A1 GLY 55 HA2 -0.39 -0.10 0.47 -0.51 4.01 3.48 2ze9A1 GLY 55 HA3 0.05 0.13 0.46 -0.51 4.01 4.14 2ze9A1 ASP 56 H -0.02 0.38 -0.12 -0.55 8.40 8.10 2ze9A1 ASP 56 HA 0.03 0.10 0.85 -0.75 4.63 4.86 2ze9A1 ASP 56 HB2 0.05 0.17 -0.11 -0.04 2.71 2.79 2ze9A1 ASP 56 HB3 0.08 0.12 0.06 -0.04 2.70 2.92 2ze9A1 ALA 57 H 0.06 0.21 0.13 -0.55 8.40 8.25 2ze9A1 ALA 57 HA 0.27 0.16 0.39 -0.75 4.34 4.41 2ze9A1 ALA 57 HB3 0.06 0.02 0.10 -0.04 1.41 1.55 2ze9A1 GLY 58 H 0.11 0.01 -0.16 -0.55 8.43 7.85 2ze9A1 GLY 58 HA2 0.08 0.16 0.82 -0.51 4.01 4.56 2ze9A1 GLY 58 HA3 0.05 0.01 0.31 -0.51 4.01 3.88 2ze9A1 CYS 59 H 0.19 0.25 -0.32 -0.55 8.50 8.07 2ze9A1 CYS 59 HA 0.11 0.07 0.29 -0.75 4.58 4.30 2ze9A1 CYS 59 HB2 -0.04 0.02 -0.11 -0.04 2.97 2.79 2ze9A1 CYS 59 HB3 -0.27 0.14 0.04 -0.04 2.97 2.84 2ze9A1 LYS 60 H 0.03 -0.01 -0.16 -0.55 8.42 7.72 2ze9A1 LYS 60 HA -0.02 0.19 0.34 -0.75 4.32 4.07 2ze9A1 LYS 60 HB2 0.02 -0.03 0.03 -0.04 1.87 1.84 2ze9A1 LYS 60 HB3 0.00 0.02 0.05 -0.04 1.79 1.82 2ze9A1 LYS 60 HG2 0.02 -0.17 -0.14 -0.04 1.46 1.13 2ze9A1 LYS 60 HG3 0.01 -0.00 -0.02 -0.04 1.46 1.41 2ze9A1 LYS 60 HD2 -0.01 -0.00 -0.02 -0.04 1.69 1.62 2ze9A1 LYS 60 HD3 -0.02 0.24 -0.18 -0.04 1.68 1.68 2ze9A1 LYS 60 HE2 0.01 -0.08 0.01 -0.04 2.99 2.88 2ze9A1 LYS 60 HE3 0.00 -0.03 -0.01 -0.04 2.99 2.92 2ze9A1 ASP 61 H 0.02 0.05 -0.21 -0.55 8.40 7.72 2ze9A1 ASP 61 HA 0.01 0.21 0.92 -0.75 4.63 5.01 2ze9A1 ASP 61 HB2 0.02 -0.01 -0.06 -0.04 2.71 2.62 2ze9A1 ASP 61 HB3 0.04 -0.01 0.16 -0.04 2.70 2.85 2ze9A1 ARG 62 H -0.01 0.27 -0.01 -0.55 8.46 8.16 2ze9A1 ARG 62 HA -0.00 0.22 0.39 -0.75 4.34 4.20 2ze9A1 ARG 62 HB2 -0.03 -0.06 0.25 -0.04 1.90 2.02 2ze9A1 ARG 62 HB3 -0.03 -0.05 0.18 -0.04 1.80 1.86 2ze9A1 ARG 62 HG2 -0.05 -0.00 -0.23 -0.04 1.67 1.35 2ze9A1 ARG 62 HG3 -0.05 0.06 -0.00 -0.04 1.67 1.64 2ze9A1 ARG 62 HD2 -0.08 -0.06 0.10 -0.04 3.22 3.14 2ze9A1 ARG 62 HD3 -0.10 -0.09 0.05 -0.04 3.22 3.04 2ze9A1 ALA 63 H 0.03 0.67 0.26 -0.55 8.40 8.81 2ze9A1 ALA 63 HA 0.02 -0.03 0.33 -0.75 4.34 3.91 2ze9A1 ALA 63 HB3 0.04 0.02 0.10 -0.04 1.41 1.53 2ze9A1 GLY 64 H 0.03 0.42 0.12 -0.55 8.43 8.46 2ze9A1 GLY 64 HA2 0.03 0.06 0.63 -0.51 4.01 4.22 2ze9A1 GLY 64 HA3 0.04 0.02 0.05 -0.51 4.01 3.61 2ze9A1 THR 65 H 0.01 0.32 -0.07 -0.55 8.28 7.99 2ze9A1 THR 65 HA 0.02 0.01 0.51 -0.75 4.39 4.18 2ze9A1 THR 65 HB -0.02 0.11 0.16 -0.04 4.32 4.53 2ze9A1 THR 65 HG23 -0.06 -0.01 -0.07 -0.04 1.22 1.03 2ze9A1 ARG 66 H -0.01 0.58 -0.04 -0.55 8.46 8.44 2ze9A1 ARG 66 HA -0.02 -0.02 0.33 -0.75 4.34 3.88 2ze9A1 ARG 66 HB2 0.00 0.07 0.10 -0.04 1.90 2.04 2ze9A1 ARG 66 HB3 0.00 -0.01 -0.05 -0.04 1.80 1.70 2ze9A1 ARG 66 HG2 -0.01 -0.06 0.04 -0.04 1.67 1.59 2ze9A1 ARG 66 HG3 -0.01 0.20 0.04 -0.04 1.67 1.87 2ze9A1 ARG 66 HD2 -0.00 -0.01 -0.02 -0.04 3.22 3.14 2ze9A1 ARG 66 HD3 -0.00 -0.02 -0.02 -0.04 3.22 3.13 2ze9A1 ARG 67 H 0.01 0.43 -0.22 -0.55 8.46 8.12 2ze9A1 ARG 67 HA 0.02 -0.01 0.49 -0.75 4.34 4.07 2ze9A1 ARG 67 HB2 0.01 0.00 0.15 -0.04 1.90 2.02 2ze9A1 ARG 67 HB3 0.01 0.13 0.18 -0.04 1.80 2.09 2ze9A1 ARG 67 HG2 0.02 0.01 -0.30 -0.04 1.67 1.36 2ze9A1 ARG 67 HG3 0.02 -0.06 0.03 -0.04 1.67 1.61 2ze9A1 ARG 67 HD2 -0.02 0.14 0.05 -0.04 3.22 3.34 2ze9A1 ARG 67 HD3 -0.01 -0.09 0.03 -0.04 3.22 3.11 2ze9A1 LEU 68 H 0.02 0.71 -0.10 -0.55 8.37 8.46 2ze9A1 LEU 68 HA 0.04 0.01 0.43 -0.75 4.35 4.08 2ze9A1 LEU 68 HB2 0.05 0.07 -0.06 -0.04 1.64 1.66 2ze9A1 LEU 68 HB3 0.03 0.17 0.18 -0.04 1.64 1.98 2ze9A1 LEU 68 HG 0.10 -0.05 -0.34 -0.04 1.64 1.31 2ze9A1 LEU 68 HD13 0.07 0.00 -0.12 -0.04 0.93 0.84 2ze9A1 LEU 68 HD23 0.13 -0.02 -0.17 -0.04 0.89 0.79 2ze9A1 LEU 69 H 0.00 0.64 -0.12 -0.55 8.37 8.34 2ze9A1 LEU 69 HA 0.03 -0.01 0.32 -0.75 4.35 3.93 2ze9A1 LEU 69 HB2 -0.03 0.14 0.03 -0.04 1.64 1.74 2ze9A1 LEU 69 HB3 -0.03 -0.05 -0.02 -0.04 1.64 1.50 2ze9A1 LEU 69 HG -0.08 0.16 -0.04 -0.04 1.64 1.63 2ze9A1 LEU 69 HD13 -0.15 -0.03 -0.11 -0.04 0.93 0.60 2ze9A1 LEU 69 HD23 -0.24 -0.00 -0.24 -0.04 0.89 0.36 2ze9A1 ASP 70 H 0.01 0.48 -0.20 -0.55 8.40 8.14 2ze9A1 ASP 70 HA 0.02 -0.01 0.43 -0.75 4.63 4.32 2ze9A1 ASP 70 HB2 0.01 -0.00 0.07 -0.04 2.71 2.75 2ze9A1 ASP 70 HB3 0.02 0.07 0.14 -0.04 2.70 2.89 2ze9A1 LYS 71 H 0.03 0.51 -0.27 -0.55 8.42 8.14 2ze9A1 LYS 71 HA 0.04 0.00 0.41 -0.75 4.32 4.02 2ze9A1 LYS 71 HB2 0.05 0.03 0.08 -0.04 1.87 1.99 2ze9A1 LYS 71 HB3 0.05 0.13 0.16 -0.04 1.79 2.09 2ze9A1 LYS 71 HG2 0.08 0.03 -0.03 -0.04 1.46 1.49 2ze9A1 LYS 71 HG3 0.06 -0.06 -0.19 -0.04 1.46 1.24 2ze9A1 LYS 71 HD2 0.05 -0.09 0.01 -0.04 1.69 1.62 2ze9A1 LYS 71 HD3 0.06 0.03 -0.04 -0.04 1.68 1.69 2ze9A1 LYS 71 HE2 0.09 0.22 -0.01 -0.04 2.99 3.25 2ze9A1 LYS 71 HE3 0.08 -0.07 -0.05 -0.04 2.99 2.91 2ze9A1 MET 72 H 0.05 0.52 -0.08 -0.55 8.47 8.42 2ze9A1 MET 72 HA 0.06 0.02 0.44 -0.75 4.52 4.29 2ze9A1 MET 72 HB2 0.07 0.03 0.10 -0.04 2.15 2.31 2ze9A1 MET 72 HB3 0.09 -0.03 -0.08 -0.04 2.03 1.97 2ze9A1 MET 72 HG2 0.09 -0.03 -0.04 -0.04 2.63 2.60 2ze9A1 MET 72 HG3 0.08 0.21 0.01 -0.04 2.56 2.82 2ze9A1 MET 72 HE3 0.20 -0.02 -0.05 -0.04 2.10 2.20 2ze9A1 THR 73 H 0.04 0.48 -0.12 -0.55 8.28 8.13 2ze9A1 THR 73 HA 0.04 0.20 0.44 -0.75 4.39 4.32 2ze9A1 THR 73 HB 0.02 0.08 0.15 -0.04 4.32 4.54 2ze9A1 THR 73 HG23 0.02 -0.02 -0.05 -0.04 1.22 1.13 2ze9A1 ARG 74 H 0.03 0.59 -0.15 -0.55 8.46 8.37 2ze9A1 ARG 74 HA 0.02 -0.01 0.31 -0.75 4.34 3.91 2ze9A1 ARG 74 HB2 0.02 0.00 0.10 -0.04 1.90 1.99 2ze9A1 ARG 74 HB3 0.03 0.08 0.12 -0.04 1.80 2.00 2ze9A1 ARG 74 HG2 0.02 0.00 -0.17 -0.04 1.67 1.49 2ze9A1 ARG 74 HG3 0.02 -0.04 -0.02 -0.04 1.67 1.59 2ze9A1 ARG 74 HD2 0.03 0.05 -0.10 -0.04 3.22 3.16 2ze9A1 ARG 74 HD3 0.03 -0.04 -0.08 -0.04 3.22 3.09 2ze9A1 ASN 75 H 0.04 0.61 -0.17 -0.55 8.53 8.46 2ze9A1 ASN 75 HA 0.02 0.02 0.51 -0.75 4.76 4.56 2ze9A1 ASN 75 HB2 0.05 0.17 0.13 -0.04 2.88 3.18 2ze9A1 ASN 75 HB3 0.04 -0.09 -0.10 -0.04 2.79 2.60 2ze9A1 ASN 75 HD21 0.06 -0.03 -0.07 -0.04 7.03 6.95 2ze9A1 ASN 75 HD22 0.06 -0.02 -0.13 -0.04 7.74 7.60 2ze9A1 ILE 76 H 0.03 0.51 -0.24 -0.55 8.25 8.00 2ze9A1 ILE 76 HA 0.02 -0.01 0.46 -0.75 4.18 3.89 2ze9A1 ILE 76 HB 0.04 0.12 0.12 -0.04 1.89 2.12 2ze9A1 ILE 76 HG12 0.04 -0.10 -0.08 -0.04 1.49 1.32 2ze9A1 ILE 76 HG13 0.05 0.14 -0.02 -0.04 1.21 1.33 2ze9A1 ILE 76 HG23 0.03 -0.00 -0.22 -0.04 0.93 0.70 2ze9A1 ILE 76 HD13 0.07 -0.02 -0.16 -0.04 0.88 0.72 2ze9A1 ALA 77 H 0.02 0.62 0.09 -0.55 8.40 8.59 2ze9A1 ALA 77 HA 0.02 0.24 0.53 -0.75 4.34 4.38 2ze9A1 ALA 77 HB3 0.02 -0.03 0.06 -0.04 1.41 1.42 2ze9A1 ASP 78 H 0.00 0.34 -0.47 -0.55 8.40 7.72 2ze9A1 ASP 78 HA -0.01 0.08 0.52 -0.75 4.63 4.46 2ze9A1 ASP 78 HB2 -0.01 0.14 0.03 -0.04 2.71 2.84 2ze9A1 ASP 78 HB3 -0.02 -0.11 0.08 -0.04 2.70 2.60 2ze9A1 ALA 79 H -0.04 0.52 -0.46 -0.55 8.40 7.88 2ze9A1 ALA 79 HA -0.13 -0.10 0.57 -0.75 4.34 3.93 2ze9A1 ALA 79 HB3 -0.05 -0.02 -0.00 -0.04 1.41 1.29 2ze9A1 ARG 80 H -0.33 0.02 0.23 -0.55 8.46 7.82 2ze9A1 ARG 80 HA -1.20 0.27 0.85 -0.75 4.34 3.51 2ze9A1 ARG 80 HB2 -1.01 -0.08 0.10 -0.04 1.90 0.88 2ze9A1 ARG 80 HB3 -0.77 0.01 0.06 -0.04 1.80 1.06 2ze9A1 ARG 80 HG2 -0.54 0.11 -0.07 -0.04 1.67 1.13 2ze9A1 ARG 80 HG3 -0.33 0.03 0.05 -0.04 1.67 1.39 2ze9A1 ARG 80 HD2 -0.11 -0.01 0.01 -0.04 3.22 3.07 2ze9A1 ARG 80 HD3 -0.19 -0.04 0.02 -0.04 3.22 2.97 2ze9A1 HIS 81 H -0.20 -0.12 0.13 -0.55 8.41 7.68 2ze9A1 HIS 81 HA -0.02 0.36 1.12 -0.75 4.63 5.33 2ze9A1 HIS 81 HB2 -0.03 -0.08 0.06 -0.04 3.26 3.17 2ze9A1 HIS 81 HB3 -0.02 0.04 -0.00 -0.04 3.20 3.18 2ze9A1 HIS 81 HD2 0.01 0.13 -0.13 -0.04 6.97 6.93 2ze9A1 HIS 81 HE1 -0.02 0.02 -0.00 -0.04 7.75 7.71 2ze9A1 THR 82 H 0.03 -0.03 0.26 -0.55 8.28 7.98 2ze9A1 THR 82 HA 0.01 0.48 1.08 -0.75 4.39 5.20 2ze9A1 THR 82 HB -0.01 0.06 -0.04 -0.04 4.32 4.28 2ze9A1 THR 82 HG23 0.02 0.03 -0.17 -0.04 1.22 1.05 2ze9A1 VAL 83 H -0.01 0.80 0.40 -0.55 8.24 8.88 2ze9A1 VAL 83 HA 0.02 0.18 0.76 -0.75 4.13 4.34 2ze9A1 VAL 83 HB 0.02 -0.00 0.13 -0.04 2.12 2.23 2ze9A1 VAL 83 HG13 0.05 -0.01 -0.07 -0.04 0.97 0.90 2ze9A1 VAL 83 HG23 0.01 0.01 -0.16 -0.04 0.95 0.77 2ze9A1 ASP 84 H 0.04 0.61 0.23 -0.55 8.40 8.73 2ze9A1 ASP 84 HA 0.04 0.17 1.03 -0.75 4.63 5.11 2ze9A1 ASP 84 HB2 0.01 -0.04 -0.07 -0.04 2.71 2.57 2ze9A1 ASP 84 HB3 0.06 -0.07 0.15 -0.04 2.70 2.80 2ze9A1 ILE 85 H 0.14 0.72 0.27 -0.55 8.25 8.83 2ze9A1 ILE 85 HA 0.11 0.45 1.18 -0.75 4.18 5.16 2ze9A1 ILE 85 HB 0.18 -0.02 0.23 -0.04 1.89 2.25 2ze9A1 ILE 85 HG12 0.10 0.03 0.03 -0.04 1.49 1.61 2ze9A1 ILE 85 HG13 0.10 -0.13 -0.16 -0.04 1.21 0.98 2ze9A1 ILE 85 HG23 0.13 -0.01 -0.12 -0.04 0.93 0.90 2ze9A1 ILE 85 HD13 0.13 -0.00 -0.05 -0.04 0.88 0.92 2ze9A1 SER 86 H 0.11 0.55 0.39 -0.55 8.46 8.95 2ze9A1 SER 86 HA 0.14 0.30 0.82 -0.75 4.49 4.99 2ze9A1 SER 86 HB2 0.08 0.08 0.08 -0.04 3.95 4.15 2ze9A1 SER 86 HB3 0.15 -0.05 -0.01 -0.04 3.93 3.98 2ze9A1 SER 87 H 0.05 0.57 0.38 -0.55 8.46 8.91 2ze9A1 SER 87 HA 0.00 0.15 0.45 -0.75 4.49 4.34 2ze9A1 SER 87 HB2 0.01 0.04 -0.19 -0.04 3.95 3.77 2ze9A1 SER 87 HB3 0.01 0.01 -0.11 -0.04 3.93 3.80 2ze9A1 LEU 88 H 0.00 0.12 0.16 -0.55 8.37 8.10 2ze9A1 LEU 88 HA 0.13 0.16 0.99 -0.75 4.35 4.87 2ze9A1 LEU 88 HB2 0.14 0.03 0.14 -0.04 1.64 1.91 2ze9A1 LEU 88 HB3 0.13 -0.07 0.13 -0.04 1.64 1.79 2ze9A1 LEU 88 HG 0.45 0.20 -0.05 -0.04 1.64 2.20 2ze9A1 LEU 88 HD13 0.30 -0.01 0.12 -0.04 0.93 1.30 2ze9A1 LEU 88 HD23 0.32 -0.03 0.03 -0.04 0.89 1.17 2ze9A1 ALA 89 H -0.00 0.55 0.26 -0.55 8.40 8.66 2ze9A1 ALA 89 HA -0.13 -0.07 0.10 -0.75 4.34 3.49 2ze9A1 ALA 89 HB3 -0.19 -0.03 0.05 -0.04 1.41 1.19 2ze9A1 PRO 90 HA -0.12 -0.07 0.26 -0.51 4.44 4.00 2ze9A1 PRO 90 HB2 -0.01 0.17 -0.11 -0.04 2.28 2.28 2ze9A1 PRO 90 HB3 -0.03 -0.03 0.01 -0.04 2.02 1.93 2ze9A1 PRO 90 HG2 -0.44 -0.06 0.03 -0.04 2.03 1.52 2ze9A1 PRO 90 HG3 -0.27 0.05 0.02 -0.04 2.03 1.79 2ze9A1 PRO 90 HD2 -1.56 0.02 0.11 -0.04 3.68 2.21 2ze9A1 PRO 90 HD3 -0.68 0.16 0.38 -0.04 3.65 3.46 2ze9A1 PHE 91 H -0.10 0.01 -0.00 -0.55 8.34 7.70 2ze9A1 PHE 91 HA -0.14 0.11 0.39 -0.75 4.62 4.22 2ze9A1 PHE 91 HB2 -0.52 -0.08 -0.00 -0.04 3.15 2.51 2ze9A1 PHE 91 HB3 -1.67 0.12 -0.09 -0.04 3.06 1.38 2ze9A1 PHE 91 HD2 -0.20 -0.01 -0.12 -0.04 7.28 6.91 2ze9A1 PHE 91 HE2 0.08 0.02 -0.32 -0.04 7.38 7.12 2ze9A1 PHE 91 HZ 0.10 0.01 -0.41 -0.04 7.32 6.98 2ze9A1 PRO 92 HA 0.22 0.26 0.52 -0.51 4.44 4.93 2ze9A1 PRO 92 HB2 0.29 0.01 -0.11 -0.04 2.28 2.42 2ze9A1 PRO 92 HB3 0.19 -0.05 -0.05 -0.04 2.02 2.07 2ze9A1 PRO 92 HG2 0.16 0.07 -0.03 -0.04 2.03 2.20 2ze9A1 PRO 92 HG3 0.05 0.01 0.04 -0.04 2.03 2.09 2ze9A1 PRO 92 HD2 0.19 0.07 0.08 -0.04 3.68 3.98 2ze9A1 PRO 92 HD3 0.12 0.16 0.10 -0.04 3.65 3.99 2ze9A1 ASN 93 H 0.37 0.44 0.29 -0.55 8.53 9.08 2ze9A1 ASN 93 HA 0.27 0.24 0.79 -0.75 4.76 5.31 2ze9A1 ASN 93 HB2 0.18 -0.13 0.21 -0.04 2.88 3.09 2ze9A1 ASN 93 HB3 0.23 0.18 -0.01 -0.04 2.79 3.15 2ze9A1 ASN 93 HD21 0.14 -0.11 0.05 -0.04 7.03 7.07 2ze9A1 ASN 93 HD22 0.13 0.10 0.03 -0.04 7.74 7.95 2ze9A1 GLY 94 H 0.14 0.20 0.15 -0.55 8.43 8.37 2ze9A1 GLY 94 HA2 0.06 0.14 0.34 -0.51 4.01 4.04 2ze9A1 GLY 94 HA3 0.07 -0.03 0.46 -0.51 4.01 3.99 2ze9A1 GLY 95 H -0.09 0.15 0.17 -0.55 8.43 8.12 2ze9A1 GLY 95 HA2 -0.04 0.07 0.36 -0.51 4.01 3.90 2ze9A1 GLY 95 HA3 -0.16 0.11 0.28 -0.51 4.01 3.72 2ze9A1 PHE 96 H -0.15 0.17 -0.12 -0.55 8.34 7.69 2ze9A1 PHE 96 HA 0.04 0.11 0.53 -0.75 4.62 4.54 2ze9A1 PHE 96 HB2 0.10 0.09 0.02 -0.04 3.15 3.32 2ze9A1 PHE 96 HB3 0.05 0.05 -0.05 -0.04 3.06 3.07 2ze9A1 PHE 96 HD2 0.04 0.07 -0.20 -0.04 7.28 7.15 2ze9A1 PHE 96 HE2 -0.02 -0.04 -0.37 -0.04 7.38 6.91 2ze9A1 PHE 96 HZ -0.25 0.04 -0.14 -0.04 7.32 6.93 2ze9A1 GLU 97 H 0.24 0.35 -0.57 -0.55 8.60 8.08 2ze9A1 GLU 97 HA 0.20 0.10 0.40 -0.75 4.29 4.23 2ze9A1 GLU 97 HB2 0.23 -0.06 -0.32 -0.04 2.09 1.90 2ze9A1 GLU 97 HB3 0.12 0.07 -0.11 -0.04 1.99 2.03 2ze9A1 GLU 97 HG2 0.07 -0.06 -0.14 -0.04 2.34 2.16 2ze9A1 GLU 97 HG3 0.22 0.08 -0.05 -0.04 2.34 2.55 2ze9A1 ASP 98 H 0.07 0.40 -0.14 -0.55 8.40 8.18 2ze9A1 ASP 98 HA 0.03 0.04 0.28 -0.75 4.63 4.23 2ze9A1 ASP 98 HB2 0.01 0.06 0.04 -0.04 2.71 2.77 2ze9A1 ASP 98 HB3 0.01 0.02 -0.01 -0.04 2.70 2.67 2ze9A1 ALA 99 H 0.06 0.39 -0.47 -0.55 8.40 7.83 2ze9A1 ALA 99 HA 0.04 0.02 0.40 -0.75 4.34 4.04 2ze9A1 ALA 99 HB3 0.07 0.06 0.02 -0.04 1.41 1.52 2ze9A1 VAL 100 H 0.09 0.34 -0.43 -0.55 8.24 7.69 2ze9A1 VAL 100 HA 0.07 0.07 0.30 -0.75 4.13 3.81 2ze9A1 VAL 100 HB 0.11 0.10 0.11 -0.04 2.12 2.40 2ze9A1 VAL 100 HG13 0.09 -0.01 -0.11 -0.04 0.97 0.90 2ze9A1 VAL 100 HG23 0.14 0.07 -0.02 -0.04 0.95 1.10 2ze9A1 VAL 101 H 0.05 0.46 -0.06 -0.55 8.24 8.14 2ze9A1 VAL 101 HA 0.02 0.05 0.28 -0.75 4.13 3.72 2ze9A1 VAL 101 HB 0.02 -0.03 0.03 -0.04 2.12 2.09 2ze9A1 VAL 101 HG13 -0.00 0.00 -0.26 -0.04 0.97 0.67 2ze9A1 VAL 101 HG23 -0.00 0.04 -0.09 -0.04 0.95 0.85 2ze9A1 ASP 102 H 0.02 0.68 -0.03 -0.55 8.40 8.52 2ze9A1 ASP 102 HA 0.01 0.02 0.50 -0.75 4.63 4.41 2ze9A1 ASP 102 HB2 0.02 0.06 0.09 -0.04 2.71 2.84 2ze9A1 ASP 102 HB3 0.02 -0.04 -0.07 -0.04 2.70 2.57 2ze9A1 GLY 103 H 0.03 0.44 -0.29 -0.55 8.43 8.06 2ze9A1 GLY 103 HA2 0.02 -0.01 0.47 -0.51 4.01 3.99 2ze9A1 GLY 103 HA3 0.03 0.13 0.27 -0.51 4.01 3.93 2ze9A1 LEU 104 H 0.03 0.53 -0.15 -0.55 8.37 8.22 2ze9A1 LEU 104 HA 0.02 0.10 0.41 -0.75 4.35 4.13 2ze9A1 LEU 104 HB2 0.02 0.02 0.07 -0.04 1.64 1.71 2ze9A1 LEU 104 HB3 0.02 -0.01 -0.08 -0.04 1.64 1.53 2ze9A1 LEU 104 HG 0.03 0.10 -0.03 -0.04 1.64 1.70 2ze9A1 LEU 104 HD13 0.02 -0.03 -0.17 -0.04 0.93 0.71 2ze9A1 LEU 104 HD23 0.02 0.00 -0.13 -0.04 0.89 0.74 2ze9A1 LYS 105 H 0.02 0.56 -0.07 -0.55 8.42 8.37 2ze9A1 LYS 105 HA 0.01 0.00 0.41 -0.75 4.32 3.99 2ze9A1 LYS 105 HB2 0.01 0.11 0.15 -0.04 1.87 2.09 2ze9A1 LYS 105 HB3 0.01 -0.08 0.04 -0.04 1.79 1.72 2ze9A1 LYS 105 HG2 0.00 -0.02 0.10 -0.04 1.46 1.50 2ze9A1 LYS 105 HG3 0.00 0.04 0.10 -0.04 1.46 1.56 2ze9A1 LYS 105 HD2 0.00 -0.00 -0.10 -0.04 1.69 1.55 2ze9A1 LYS 105 HD3 0.00 -0.06 0.00 -0.04 1.68 1.59 2ze9A1 LYS 105 HE2 -0.00 -0.10 -0.01 -0.04 2.99 2.84 2ze9A1 LYS 105 HE3 -0.00 0.13 0.02 -0.04 2.99 3.09 2ze9A1 ALA 106 H 0.02 0.40 -0.44 -0.55 8.40 7.83 2ze9A1 ALA 106 HA 0.02 -0.04 0.44 -0.75 4.34 4.01 2ze9A1 ALA 106 HB3 0.02 0.02 0.12 -0.04 1.41 1.53 2ze9A1 SER 107 H 0.04 0.38 -0.12 -0.55 8.46 8.20 2ze9A1 SER 107 HA 0.13 0.13 0.45 -0.75 4.49 4.44 2ze9A1 SER 107 HB2 0.02 0.12 0.15 -0.04 3.95 4.20 2ze9A1 SER 107 HB3 0.04 0.06 0.16 -0.04 3.93 4.15 2ze9A1 VAL 108 H 0.04 0.60 -0.09 -0.55 8.24 8.24 2ze9A1 VAL 108 HA 0.03 0.30 0.58 -0.75 4.13 4.28 2ze9A1 VAL 108 HB 0.01 0.00 0.13 -0.04 2.12 2.23 2ze9A1 VAL 108 HG13 0.00 -0.03 -0.04 -0.04 0.97 0.85 2ze9A1 VAL 108 HG23 0.02 0.07 -0.03 -0.04 0.95 0.97 2ze9A1 ALA 109 H 0.02 0.54 -0.19 -0.55 8.40 8.22 2ze9A1 ALA 109 HA -0.01 0.01 0.52 -0.75 4.34 4.10 2ze9A1 ALA 109 HB3 0.00 -0.03 0.14 -0.04 1.41 1.48 2ze9A1 ALA 110 H 0.02 0.50 -0.18 -0.55 8.40 8.20 2ze9A1 ALA 110 HA -0.04 -0.02 0.61 -0.75 4.34 4.15 2ze9A1 ALA 110 HB3 0.09 0.01 0.15 -0.04 1.41 1.62 2ze9A1 GLY 111 H -0.09 0.40 -0.69 -0.55 8.43 7.50 2ze9A1 GLY 111 HA2 -0.11 -0.02 0.28 -0.51 4.01 3.65 2ze9A1 GLY 111 HA3 -0.22 0.02 0.65 -0.51 4.01 3.95 2ze9A1 HIS 112 H -0.14 0.48 0.07 -0.55 8.41 8.27 2ze9A1 HIS 112 HA 0.01 0.07 0.71 -0.75 4.63 4.67 2ze9A1 HIS 112 HB2 -0.02 0.00 -0.16 -0.04 3.26 3.05 2ze9A1 HIS 112 HB3 -0.02 0.11 0.04 -0.04 3.20 3.29 2ze9A1 HIS 112 HD2 -0.03 0.10 0.08 -0.04 6.97 7.08 2ze9A1 HIS 112 HE1 -0.04 -0.11 -0.02 -0.04 7.75 7.54 2ze9A1 SER 113 H 0.13 0.15 0.04 -0.55 8.46 8.24 2ze9A1 SER 113 HA 0.04 0.21 0.76 -0.75 4.49 4.75 2ze9A1 SER 113 HB2 0.05 -0.11 0.20 -0.04 3.95 4.05 2ze9A1 SER 113 HB3 0.03 0.10 0.20 -0.04 3.93 4.22 2ze9A1 PRO 114 HA 0.04 0.19 0.30 -0.51 4.44 4.46 2ze9A1 PRO 114 HB2 0.01 -0.04 -0.31 -0.04 2.28 1.90 2ze9A1 PRO 114 HB3 0.00 -0.03 -0.33 -0.04 2.02 1.62 2ze9A1 PRO 114 HG2 0.02 -0.06 -0.09 -0.04 2.03 1.85 2ze9A1 PRO 114 HG3 0.03 0.04 -0.14 -0.04 2.03 1.92 2ze9A1 PRO 114 HD2 0.04 0.17 -0.16 -0.04 3.68 3.69 2ze9A1 PRO 114 HD3 0.08 0.10 -0.45 -0.04 3.65 3.34 2ze9A1 ARG 115 H 0.02 0.73 0.47 -0.55 8.46 9.12 2ze9A1 ARG 115 HA -0.02 0.15 0.95 -0.75 4.34 4.66 2ze9A1 ARG 115 HB2 -0.03 -0.06 0.21 -0.04 1.90 1.98 2ze9A1 ARG 115 HB3 -0.07 -0.06 0.07 -0.04 1.80 1.71 2ze9A1 ARG 115 HG2 -0.03 0.00 0.07 -0.04 1.67 1.68 2ze9A1 ARG 115 HG3 -0.00 0.14 0.09 -0.04 1.67 1.86 2ze9A1 ARG 115 HD2 -0.05 -0.06 -0.01 -0.04 3.22 3.07 2ze9A1 ARG 115 HD3 -0.02 0.02 0.01 -0.04 3.22 3.19 2ze9A1 VAL 116 H -0.05 1.02 0.41 -0.55 8.24 9.07 2ze9A1 VAL 116 HA -0.02 0.24 1.13 -0.75 4.13 4.72 2ze9A1 VAL 116 HB 0.00 -0.04 0.04 -0.04 2.12 2.08 2ze9A1 VAL 116 HG13 0.05 -0.03 -0.19 -0.04 0.97 0.76 2ze9A1 VAL 116 HG23 0.01 0.02 -0.30 -0.04 0.95 0.64 2ze9A1 ARG 117 H -0.08 0.58 0.42 -0.55 8.46 8.83 2ze9A1 ARG 117 HA -0.20 0.24 1.02 -0.75 4.34 4.64 2ze9A1 ARG 117 HB2 -0.27 -0.08 0.20 -0.04 1.90 1.71 2ze9A1 ARG 117 HB3 -0.77 0.01 0.06 -0.04 1.80 1.06 2ze9A1 ARG 117 HG2 -0.80 0.04 0.05 -0.04 1.67 0.92 2ze9A1 ARG 117 HG3 -0.44 -0.02 -0.09 -0.04 1.67 1.08 2ze9A1 ARG 117 HD2 -2.95 -0.01 -0.02 -0.04 3.22 0.20 2ze9A1 ARG 117 HD3 -0.82 0.09 0.05 -0.04 3.22 2.50 2ze9A1 ILE 118 H 0.32 0.75 0.41 -0.55 8.25 9.19 2ze9A1 ILE 118 HA 0.34 0.34 0.76 -0.75 4.18 4.86 2ze9A1 ILE 118 HB 0.31 -0.08 0.14 -0.04 1.89 2.21 2ze9A1 ILE 118 HG12 0.21 0.05 0.02 -0.04 1.49 1.72 2ze9A1 ILE 118 HG13 0.17 -0.06 -0.57 -0.04 1.21 0.71 2ze9A1 ILE 118 HG23 0.39 -0.02 -0.13 -0.04 0.93 1.13 2ze9A1 ILE 118 HD13 0.25 -0.01 -0.11 -0.04 0.88 0.97 2ze9A1 LEU 119 H 0.34 0.76 0.29 -0.55 8.37 9.22 2ze9A1 LEU 119 HA 0.18 0.27 1.12 -0.75 4.35 5.16 2ze9A1 LEU 119 HB2 -0.00 -0.05 -0.11 -0.04 1.64 1.44 2ze9A1 LEU 119 HB3 0.10 -0.03 0.15 -0.04 1.64 1.81 2ze9A1 LEU 119 HG -0.19 0.01 -0.29 -0.04 1.64 1.13 2ze9A1 LEU 119 HD13 -0.75 0.02 -0.13 -0.04 0.93 0.03 2ze9A1 LEU 119 HD23 -0.60 -0.02 -0.15 -0.04 0.89 0.08 2ze9A1 VAL 120 H -0.01 0.70 0.40 -0.55 8.24 8.78 2ze9A1 VAL 120 HA -0.05 0.42 1.07 -0.75 4.13 4.82 2ze9A1 VAL 120 HB -0.24 0.04 -0.18 -0.04 2.12 1.70 2ze9A1 VAL 120 HG13 -0.28 -0.03 -0.44 -0.04 0.97 0.18 2ze9A1 VAL 120 HG23 -0.87 -0.03 -0.11 -0.04 0.95 -0.11 2ze9A1 GLY 121 H 0.05 0.52 0.42 -0.55 8.43 8.87 2ze9A1 GLY 121 HA2 0.08 0.19 1.10 -0.51 4.01 4.87 2ze9A1 GLY 121 HA3 0.31 0.18 0.57 -0.51 4.01 4.56 2ze9A1 ALA 122 H -0.05 0.63 0.31 -0.55 8.40 8.74 2ze9A1 ALA 122 HA -0.38 0.10 0.89 -0.75 4.34 4.20 2ze9A1 ALA 122 HB3 -0.01 0.02 -0.10 -0.04 1.41 1.28 2ze9A1 ALA 123 H -0.96 0.15 0.07 -0.55 8.40 7.10 2ze9A1 ALA 123 HA -2.10 0.12 0.54 -0.75 4.34 2.14 2ze9A1 ALA 123 HB3 -0.97 -0.00 0.06 -0.04 1.41 0.46 2ze9A1 PRO 124 HA 0.03 0.15 0.27 -0.51 4.44 4.38 2ze9A1 PRO 124 HB2 0.01 0.01 0.03 -0.04 2.28 2.29 2ze9A1 PRO 124 HB3 0.06 0.01 0.15 -0.04 2.02 2.20 2ze9A1 PRO 124 HG2 0.03 -0.01 0.09 -0.04 2.03 2.10 2ze9A1 PRO 124 HG3 0.14 0.13 0.21 -0.04 2.03 2.46 2ze9A1 PRO 124 HD2 -0.24 0.02 0.21 -0.04 3.68 3.63 2ze9A1 PRO 124 HD3 0.04 0.19 0.21 -0.04 3.65 4.06 2ze9A1 ILE 125 H -0.22 -0.03 -0.39 -0.55 8.25 7.06 2ze9A1 ILE 125 HA -0.16 0.38 1.36 -0.75 4.18 5.02 2ze9A1 ILE 125 HB -0.04 -0.04 0.03 -0.04 1.89 1.80 2ze9A1 ILE 125 HG12 -0.03 -0.01 -0.33 -0.04 1.49 1.08 2ze9A1 ILE 125 HG13 -0.03 -0.01 -0.05 -0.04 1.21 1.07 2ze9A1 ILE 125 HG23 -0.14 -0.00 -0.13 -0.04 0.93 0.61 2ze9A1 ILE 125 HD13 -0.02 0.01 0.03 -0.04 0.88 0.86 2ze9A1 TYR 126 H 0.51 0.00 -0.02 -0.55 8.29 8.23 2ze9A1 TYR 126 HA -0.17 0.08 0.56 -0.75 4.56 4.28 2ze9A1 TYR 126 HB2 -0.27 -0.00 0.27 -0.04 3.06 3.02 2ze9A1 TYR 126 HB3 -0.18 0.03 0.10 -0.04 2.98 2.89 2ze9A1 TYR 126 HD2 -0.21 0.02 0.05 -0.04 7.15 6.97 2ze9A1 TYR 126 HE2 -0.10 0.13 -0.25 -0.04 6.85 6.59 2ze9A1 HIS 127 H -0.08 0.59 -0.14 -0.55 8.41 8.24 2ze9A1 HIS 127 HA -0.05 0.07 -0.19 -0.75 4.63 3.71 2ze9A1 HIS 127 HB2 -0.12 -0.05 0.05 -0.04 3.26 3.10 2ze9A1 HIS 127 HB3 -0.17 0.01 0.18 -0.04 3.20 3.18 2ze9A1 HIS 127 HD2 -0.12 -0.05 0.01 -0.04 6.97 6.77 2ze9A1 HIS 127 HE1 -0.24 -0.08 -0.45 -0.04 7.75 6.93 2ze9A1 LEU 128 H 0.12 0.00 0.22 -0.55 8.37 8.17 2ze9A1 LEU 128 HA 0.03 0.09 0.03 -0.75 4.35 3.75 2ze9A1 LEU 128 HB2 0.02 0.26 -0.12 -0.04 1.64 1.76 2ze9A1 LEU 128 HB3 0.05 -0.08 -0.12 -0.04 1.64 1.45 2ze9A1 LEU 128 HG -0.05 -0.02 -0.15 -0.04 1.64 1.38 2ze9A1 LEU 128 HD13 -0.10 0.04 -0.01 -0.04 0.93 0.82 2ze9A1 LEU 128 HD23 -0.13 0.03 -0.20 -0.04 0.89 0.56 2ze9A1 ASN 129 H 0.05 0.16 0.08 -0.55 8.53 8.27 2ze9A1 ASN 129 HA 0.10 0.07 0.31 -0.75 4.76 4.48 2ze9A1 ASN 129 HB2 0.05 0.12 -0.06 -0.04 2.88 2.94 2ze9A1 ASN 129 HB3 0.09 -0.02 0.21 -0.04 2.79 3.03 2ze9A1 ASN 129 HD21 0.04 0.02 0.04 -0.04 7.03 7.09 2ze9A1 ASN 129 HD22 0.06 -0.02 0.05 -0.04 7.74 7.79 2ze9A1 VAL 130 H 0.17 0.12 -0.35 -0.55 8.24 7.63 2ze9A1 VAL 130 HA 0.19 0.17 0.44 -0.75 4.13 4.18 2ze9A1 VAL 130 HB 0.03 0.01 -0.09 -0.04 2.12 2.03 2ze9A1 VAL 130 HG13 0.06 -0.00 0.01 -0.04 0.97 1.00 2ze9A1 VAL 130 HG23 -0.01 -0.01 -0.19 -0.04 0.95 0.69 2ze9A1 VAL 131 H 0.31 0.21 0.11 -0.55 8.24 8.32 2ze9A1 VAL 131 HA 0.41 0.36 0.91 -0.75 4.13 5.07 2ze9A1 VAL 131 HB 0.12 -0.01 0.04 -0.04 2.12 2.23 2ze9A1 VAL 131 HG13 -0.07 -0.07 -0.08 -0.04 0.97 0.71 2ze9A1 VAL 131 HG23 0.16 0.03 -0.40 -0.04 0.95 0.70 2ze9A1 PRO 132 HA 0.01 0.05 0.31 -0.51 4.44 4.30 2ze9A1 PRO 132 HB2 0.19 -0.00 -0.15 -0.04 2.28 2.28 2ze9A1 PRO 132 HB3 0.24 0.23 -0.18 -0.04 2.02 2.27 2ze9A1 PRO 132 HG2 0.44 0.19 -0.07 -0.04 2.03 2.54 2ze9A1 PRO 132 HG3 0.57 0.02 -0.16 -0.04 2.03 2.42 2ze9A1 PRO 132 HD2 0.41 0.11 0.15 -0.04 3.68 4.31 2ze9A1 PRO 132 HD3 0.60 0.34 0.17 -0.04 3.65 4.72 2ze9A1 SER 133 H 0.03 0.16 -0.22 -0.55 8.46 7.88 2ze9A1 SER 133 HA 0.01 0.12 0.35 -0.75 4.49 4.22 2ze9A1 SER 133 HB2 -0.03 0.05 0.05 -0.04 3.95 3.98 2ze9A1 SER 133 HB3 -0.04 0.07 0.06 -0.04 3.93 3.98 2ze9A1 ARG 134 H 0.04 0.12 -0.26 -0.55 8.46 7.80 2ze9A1 ARG 134 HA 0.00 0.10 0.44 -0.75 4.34 4.12 2ze9A1 ARG 134 HB2 0.03 -0.02 0.06 -0.04 1.90 1.92 2ze9A1 ARG 134 HB3 0.09 0.07 0.08 -0.04 1.80 2.00 2ze9A1 ARG 134 HG2 0.04 -0.02 -0.07 -0.04 1.67 1.58 2ze9A1 ARG 134 HG3 0.02 0.01 0.02 -0.04 1.67 1.67 2ze9A1 ARG 134 HD2 0.04 0.00 -0.02 -0.04 3.22 3.20 2ze9A1 ARG 134 HD3 0.04 -0.00 -0.01 -0.04 3.22 3.21 2ze9A1 TYR 135 H 0.11 0.56 -0.05 -0.55 8.29 8.35 2ze9A1 TYR 135 HA -0.06 0.03 0.48 -0.75 4.56 4.26 2ze9A1 TYR 135 HB2 -0.19 -0.02 0.02 -0.04 3.06 2.83 2ze9A1 TYR 135 HB3 -0.58 0.08 0.04 -0.04 2.98 2.48 2ze9A1 TYR 135 HD2 -0.26 0.01 -0.12 -0.04 7.15 6.73 2ze9A1 TYR 135 HE2 0.05 0.11 -0.10 -0.04 6.85 6.87 2ze9A1 ARG 136 H -0.02 0.76 -0.06 -0.55 8.46 8.59 2ze9A1 ARG 136 HA -0.12 0.02 0.42 -0.75 4.34 3.91 2ze9A1 ARG 136 HB2 0.00 0.03 0.01 -0.04 1.90 1.91 2ze9A1 ARG 136 HB3 -0.01 0.05 0.08 -0.04 1.80 1.88 2ze9A1 ARG 136 HG2 -0.04 -0.05 -0.37 -0.04 1.67 1.17 2ze9A1 ARG 136 HG3 -0.01 -0.02 -0.17 -0.04 1.67 1.42 2ze9A1 ARG 136 HD2 -0.01 -0.02 -0.26 -0.04 3.22 2.89 2ze9A1 ARG 136 HD3 0.01 -0.00 -0.42 -0.04 3.22 2.77 2ze9A1 ASP 137 H -0.05 0.40 -0.35 -0.55 8.40 7.84 2ze9A1 ASP 137 HA -0.05 0.01 0.40 -0.75 4.63 4.24 2ze9A1 ASP 137 HB2 -0.03 0.11 0.21 -0.04 2.71 2.96 2ze9A1 ASP 137 HB3 -0.03 -0.06 -0.00 -0.04 2.70 2.56 2ze9A1 GLU 138 H -0.11 0.45 -0.22 -0.55 8.60 8.18 2ze9A1 GLU 138 HA -0.07 0.00 0.53 -0.75 4.29 4.00 2ze9A1 GLU 138 HB2 -0.06 0.05 0.13 -0.04 2.09 2.17 2ze9A1 GLU 138 HB3 -0.25 0.14 0.19 -0.04 1.99 2.03 2ze9A1 GLU 138 HG2 -0.10 -0.01 -0.19 -0.04 2.34 1.99 2ze9A1 GLU 138 HG3 -0.04 -0.04 0.03 -0.04 2.34 2.25 2ze9A1 LEU 139 H -0.32 0.57 -0.04 -0.55 8.37 8.03 2ze9A1 LEU 139 HA -0.15 -0.02 0.39 -0.75 4.35 3.82 2ze9A1 LEU 139 HB2 -0.16 0.13 0.03 -0.04 1.64 1.60 2ze9A1 LEU 139 HB3 -0.10 -0.01 -0.12 -0.04 1.64 1.37 2ze9A1 LEU 139 HG -0.67 0.15 -0.01 -0.04 1.64 1.06 2ze9A1 LEU 139 HD13 -0.02 -0.01 -0.12 -0.04 0.93 0.75 2ze9A1 LEU 139 HD23 -0.18 -0.02 -0.07 -0.04 0.89 0.57 2ze9A1 ILE 140 H -0.09 0.58 -0.19 -0.55 8.25 7.99 2ze9A1 ILE 140 HA -0.04 0.05 0.52 -0.75 4.18 3.95 2ze9A1 ILE 140 HB -0.04 0.04 0.16 -0.04 1.89 2.00 2ze9A1 ILE 140 HG12 -0.03 0.01 0.02 -0.04 1.49 1.45 2ze9A1 ILE 140 HG13 -0.05 0.15 0.04 -0.04 1.21 1.32 2ze9A1 ILE 140 HG23 -0.02 -0.02 -0.11 -0.04 0.93 0.74 2ze9A1 ILE 140 HD13 -0.02 -0.04 -0.05 -0.04 0.88 0.73 2ze9A1 GLY 141 H -0.05 0.56 -0.13 -0.55 8.43 8.26 2ze9A1 GLY 141 HA2 -0.02 -0.02 0.37 -0.51 4.01 3.83 2ze9A1 GLY 141 HA3 -0.03 0.03 0.33 -0.51 4.01 3.83 2ze9A1 LYS 142 H -0.05 0.65 -0.01 -0.55 8.42 8.46 2ze9A1 LYS 142 HA -0.02 0.00 0.51 -0.75 4.32 4.06 2ze9A1 LYS 142 HB2 -0.05 0.06 0.10 -0.04 1.87 1.93 2ze9A1 LYS 142 HB3 -0.02 -0.07 -0.03 -0.04 1.79 1.63 2ze9A1 LYS 142 HG2 -0.02 -0.05 0.00 -0.04 1.46 1.35 2ze9A1 LYS 142 HG3 -0.03 0.04 0.03 -0.04 1.46 1.46 2ze9A1 LYS 142 HD2 -0.06 0.02 -0.19 -0.04 1.69 1.41 2ze9A1 LYS 142 HD3 -0.02 -0.04 -0.10 -0.04 1.68 1.47 2ze9A1 LYS 142 HE2 -0.01 0.01 -0.04 -0.04 2.99 2.92 2ze9A1 LYS 142 HE3 0.01 -0.06 -0.06 -0.04 2.99 2.84 2ze9A1 LEU 143 H -0.03 0.52 -0.39 -0.55 8.37 7.92 2ze9A1 LEU 143 HA -0.01 0.03 0.54 -0.75 4.35 4.16 2ze9A1 LEU 143 HB2 -0.02 0.18 0.15 -0.04 1.64 1.90 2ze9A1 LEU 143 HB3 -0.01 -0.17 -0.10 -0.04 1.64 1.32 2ze9A1 LEU 143 HG -0.03 -0.02 -0.06 -0.04 1.64 1.50 2ze9A1 LEU 143 HD13 -0.02 -0.02 -0.21 -0.04 0.93 0.64 2ze9A1 LEU 143 HD23 -0.00 -0.01 -0.07 -0.04 0.89 0.77 2ze9A1 GLY 144 H -0.02 0.37 -0.25 -0.55 8.43 7.99 2ze9A1 GLY 144 HA2 -0.01 0.06 0.32 -0.51 4.01 3.87 2ze9A1 GLY 144 HA3 -0.01 -0.02 0.42 -0.51 4.01 3.89 2ze9A1 ALA 145 H -0.01 0.15 0.22 -0.55 8.40 8.22 2ze9A1 ALA 145 HA -0.01 0.07 0.47 -0.75 4.34 4.12 2ze9A1 ALA 145 HB3 -0.01 0.01 0.10 -0.04 1.41 1.48 2ze9A1 ALA 146 H -0.00 0.22 -0.09 -0.55 8.40 7.98 2ze9A1 ALA 146 HA -0.00 0.08 0.51 -0.75 4.34 4.18 2ze9A1 ALA 146 HB3 0.00 0.07 0.03 -0.04 1.41 1.48 2ze9A1 ALA 147 H -0.01 0.43 -0.58 -0.55 8.40 7.69 2ze9A1 ALA 147 HA -0.01 0.02 0.17 -0.75 4.34 3.77 2ze9A1 ALA 147 HB3 -0.02 0.02 0.07 -0.04 1.41 1.44 2ze9A1 GLY 148 H -0.01 0.21 -0.38 -0.55 8.43 7.71 2ze9A1 GLY 148 HA2 -0.01 -0.04 0.27 -0.51 4.01 3.72 2ze9A1 GLY 148 HA3 -0.00 0.01 0.26 -0.51 4.01 3.76 2ze9A1 LYS 149 H -0.00 0.45 -0.42 -0.55 8.42 7.90 2ze9A1 LYS 149 HA 0.01 0.09 0.60 -0.75 4.32 4.26 2ze9A1 LYS 149 HB2 0.01 0.07 0.07 -0.04 1.87 1.98 2ze9A1 LYS 149 HB3 0.01 0.03 0.18 -0.04 1.79 1.98 2ze9A1 LYS 149 HG2 -0.00 -0.11 -0.07 -0.04 1.46 1.24 2ze9A1 LYS 149 HG3 -0.00 0.04 0.01 -0.04 1.46 1.46 2ze9A1 LYS 149 HD2 0.00 0.05 -0.05 -0.04 1.69 1.65 2ze9A1 LYS 149 HD3 0.00 -0.01 -0.17 -0.04 1.68 1.46 2ze9A1 LYS 149 HE2 -0.00 -0.07 -0.06 -0.04 2.99 2.81 2ze9A1 LYS 149 HE3 -0.01 0.03 -0.04 -0.04 2.99 2.93 2ze9A1 VAL 150 H 0.00 0.40 -0.16 -0.55 8.24 7.93 2ze9A1 VAL 150 HA 0.01 0.37 0.85 -0.75 4.13 4.60 2ze9A1 VAL 150 HB -0.00 -0.06 0.01 -0.04 2.12 2.03 2ze9A1 VAL 150 HG13 0.00 -0.03 -0.27 -0.04 0.97 0.63 2ze9A1 VAL 150 HG23 0.01 0.01 -0.20 -0.04 0.95 0.73 2ze9A1 THR 151 H -0.00 0.61 0.21 -0.55 8.28 8.54 2ze9A1 THR 151 HA -0.01 0.08 0.77 -0.75 4.39 4.47 2ze9A1 THR 151 HB -0.02 -0.07 0.26 -0.04 4.32 4.44 2ze9A1 THR 151 HG23 -0.03 -0.01 -0.07 -0.04 1.22 1.07 2ze9A1 LEU 152 H -0.01 0.14 0.16 -0.55 8.37 8.12 2ze9A1 LEU 152 HA -0.02 0.31 0.92 -0.75 4.35 4.81 2ze9A1 LEU 152 HB2 -0.00 -0.10 0.08 -0.04 1.64 1.58 2ze9A1 LEU 152 HB3 0.02 -0.01 -0.10 -0.04 1.64 1.51 2ze9A1 LEU 152 HG -0.01 0.08 -0.28 -0.04 1.64 1.39 2ze9A1 LEU 152 HD13 -0.03 -0.02 -0.09 -0.04 0.93 0.75 2ze9A1 LEU 152 HD23 0.02 0.01 -0.15 -0.04 0.89 0.73 2ze9A1 ASN 153 H -0.05 0.66 0.40 -0.55 8.53 8.99 2ze9A1 ASN 153 HA 0.04 0.13 0.65 -0.75 4.76 4.83 2ze9A1 ASN 153 HB2 -0.41 0.02 0.30 -0.04 2.88 2.75 2ze9A1 ASN 153 HB3 -0.22 -0.04 -0.06 -0.04 2.79 2.43 2ze9A1 ASN 153 HD21 -0.05 0.35 -0.04 -0.04 7.03 7.24 2ze9A1 ASN 153 HD22 -0.05 0.20 -0.02 -0.04 7.74 7.83 2ze9A1 VAL 154 H 0.20 0.60 0.20 -0.55 8.24 8.69 2ze9A1 VAL 154 HA 0.37 0.27 1.04 -0.75 4.13 5.05 2ze9A1 VAL 154 HB 0.10 0.01 0.17 -0.04 2.12 2.35 2ze9A1 VAL 154 HG13 -0.09 -0.02 -0.03 -0.04 0.97 0.78 2ze9A1 VAL 154 HG23 0.09 -0.01 -0.21 -0.04 0.95 0.78 2ze9A1 ALA 155 H 0.50 0.72 0.43 -0.55 8.40 9.50 2ze9A1 ALA 155 HA 0.30 0.30 1.13 -0.75 4.34 5.31 2ze9A1 ALA 155 HB3 0.04 -0.00 -0.01 -0.04 1.41 1.39 2ze9A1 SER 156 H 0.25 0.52 0.40 -0.55 8.46 9.08 2ze9A1 SER 156 HA -0.03 0.29 0.87 -0.75 4.49 4.87 2ze9A1 SER 156 HB2 -0.10 0.02 0.01 -0.04 3.95 3.83 2ze9A1 SER 156 HB3 0.07 -0.10 -0.02 -0.04 3.93 3.84 2ze9A1 MET 157 H -0.05 0.37 0.35 -0.55 8.47 8.60 2ze9A1 MET 157 HA 0.02 0.44 1.11 -0.75 4.52 5.35 2ze9A1 MET 157 HB2 0.32 0.03 -0.04 -0.04 2.15 2.42 2ze9A1 MET 157 HB3 0.09 0.01 -0.19 -0.04 2.03 1.90 2ze9A1 MET 157 HG2 -0.08 -0.00 -0.13 -0.04 2.63 2.37 2ze9A1 MET 157 HG3 -0.03 0.26 0.06 -0.04 2.56 2.80 2ze9A1 MET 157 HE3 -0.20 0.03 -0.09 -0.04 2.10 1.80 2ze9A1 THR 158 H 0.13 0.86 0.35 -0.55 8.28 9.07 2ze9A1 THR 158 HA 0.22 0.01 0.98 -0.75 4.39 4.84 2ze9A1 THR 158 HB 0.06 0.06 0.22 -0.04 4.32 4.63 2ze9A1 THR 158 HG23 0.23 -0.06 -0.08 -0.04 1.22 1.26 2ze9A1 THR 159 H 0.03 0.19 0.17 -0.55 8.28 8.12 2ze9A1 THR 159 HA 0.02 0.13 0.58 -0.75 4.39 4.36 2ze9A1 THR 159 HB -0.64 0.02 -0.09 -0.04 4.32 3.57 2ze9A1 THR 159 HG23 -1.01 -0.03 -0.12 -0.04 1.22 0.02 2ze9A1 SER 160 H 0.11 0.45 0.12 -0.55 8.46 8.60 2ze9A1 SER 160 HA 0.11 0.11 0.62 -0.75 4.49 4.58 2ze9A1 SER 160 HB2 0.05 0.18 -0.34 -0.04 3.95 3.80 2ze9A1 SER 160 HB3 0.09 -0.04 -0.07 -0.04 3.93 3.86 2ze9A1 LYS 161 H 0.11 0.20 0.10 -0.55 8.42 8.28 2ze9A1 LYS 161 HA 0.16 0.16 0.63 -0.75 4.32 4.52 2ze9A1 LYS 161 HB2 0.09 0.10 0.13 -0.04 1.87 2.16 2ze9A1 LYS 161 HB3 0.08 -0.08 0.17 -0.04 1.79 1.92 2ze9A1 LYS 161 HG2 0.08 -0.02 -0.04 -0.04 1.46 1.44 2ze9A1 LYS 161 HG3 0.07 0.07 0.08 -0.04 1.46 1.64 2ze9A1 LYS 161 HD2 0.05 0.04 0.04 -0.04 1.69 1.78 2ze9A1 LYS 161 HD3 0.06 -0.05 0.01 -0.04 1.68 1.66 2ze9A1 LYS 161 HE2 0.04 0.06 0.03 -0.04 2.99 3.07 2ze9A1 LYS 161 HE3 0.04 -0.03 0.01 -0.04 2.99 2.97 2ze9A1 THR 162 H 0.10 0.09 0.07 -0.55 8.28 7.99 2ze9A1 THR 162 HA 0.10 0.14 0.35 -0.75 4.39 4.23 2ze9A1 THR 162 HB 0.07 0.04 0.05 -0.04 4.32 4.45 2ze9A1 THR 162 HG23 0.06 0.01 0.06 -0.04 1.22 1.31 2ze9A1 SER 163 H 0.12 -0.00 -0.31 -0.55 8.46 7.72 2ze9A1 SER 163 HA 0.27 0.24 0.86 -0.75 4.49 5.10 2ze9A1 SER 163 HB2 0.07 -0.07 -0.01 -0.04 3.95 3.90 2ze9A1 SER 163 HB3 0.12 0.03 0.05 -0.04 3.93 4.10 2ze9A1 LEU 164 H 0.21 0.24 -0.53 -0.55 8.37 7.75 2ze9A1 LEU 164 HA 0.42 0.10 0.36 -0.75 4.35 4.47 2ze9A1 LEU 164 HB2 0.03 0.02 -0.21 -0.04 1.64 1.44 2ze9A1 LEU 164 HB3 0.12 -0.05 0.09 -0.04 1.64 1.77 2ze9A1 LEU 164 HG 0.19 0.05 -0.20 -0.04 1.64 1.63 2ze9A1 LEU 164 HD13 0.05 -0.01 -0.07 -0.04 0.93 0.86 2ze9A1 LEU 164 HD23 0.25 0.01 0.06 -0.04 0.89 1.17 2ze9A1 SER 165 H 0.16 0.44 0.10 -0.55 8.46 8.62 2ze9A1 SER 165 HA -0.47 0.16 0.93 -0.75 4.49 4.35 2ze9A1 SER 165 HB2 0.04 0.10 0.01 -0.04 3.95 4.05 2ze9A1 SER 165 HB3 -0.01 0.03 0.18 -0.04 3.93 4.08 2ze9A1 TRP 166 H -0.67 0.35 0.27 -0.55 7.97 7.36 2ze9A1 TRP 166 HA -0.11 -0.01 0.49 -0.75 4.62 4.23 2ze9A1 TRP 166 HB2 -0.05 -0.03 0.34 -0.04 3.23 3.45 2ze9A1 TRP 166 HB3 -0.03 0.19 0.21 -0.04 3.23 3.56 2ze9A1 TRP 166 HD1 -0.03 0.32 -0.39 -0.04 7.22 7.08 2ze9A1 TRP 166 HE1 -0.02 0.03 -0.16 -0.04 10.20 10.01 2ze9A1 TRP 166 HE3 -0.00 0.15 -0.40 -0.04 7.59 7.30 2ze9A1 TRP 166 HZ2 -0.08 0.01 -0.06 -0.04 7.44 7.27 2ze9A1 TRP 166 HZ3 -0.00 -0.01 -0.04 -0.04 7.13 7.03 2ze9A1 TRP 166 HH2 -0.06 -0.00 -0.02 -0.04 7.19 7.07 2ze9A1 ASN 167 H 0.15 0.22 0.22 -0.55 8.53 8.57 2ze9A1 ASN 167 HA -0.01 -0.01 0.64 -0.75 4.76 4.61 2ze9A1 ASN 167 HB2 -0.05 0.00 0.05 -0.04 2.88 2.85 2ze9A1 ASN 167 HB3 0.03 0.01 0.02 -0.04 2.79 2.81 2ze9A1 ASN 167 HD21 0.06 0.21 -0.11 -0.04 7.03 7.15 2ze9A1 ASN 167 HD22 0.05 0.15 -0.05 -0.04 7.74 7.85 2ze9A1 ALA 168 H 0.01 0.53 0.39 -0.55 8.40 8.79 2ze9A1 ALA 168 HA 0.13 0.18 0.58 -0.75 4.34 4.47 2ze9A1 ALA 168 HB3 0.07 -0.01 0.01 -0.04 1.41 1.43 2ze9A1 SER 169 H 0.07 0.36 0.27 -0.55 8.46 8.62 2ze9A1 SER 169 HA 0.06 -0.01 0.65 -0.75 4.49 4.43 2ze9A1 SER 169 HB2 0.12 -0.03 -0.10 -0.04 3.95 3.90 2ze9A1 SER 169 HB3 0.18 -0.01 -0.19 -0.04 3.93 3.87 2ze9A1 LYS 170 H 0.04 0.14 0.03 -0.55 8.42 8.07 2ze9A1 LYS 170 HA 0.00 0.29 0.66 -0.75 4.32 4.53 2ze9A1 LYS 170 HB2 -0.01 0.21 0.20 -0.04 1.87 2.22 2ze9A1 LYS 170 HB3 -0.06 0.07 -0.01 -0.04 1.79 1.75 2ze9A1 LYS 170 HG2 -0.11 -0.10 -0.14 -0.04 1.46 1.07 2ze9A1 LYS 170 HG3 -0.01 0.16 -0.47 -0.04 1.46 1.10 2ze9A1 LYS 170 HD2 -0.01 0.11 0.05 -0.04 1.69 1.79 2ze9A1 LYS 170 HD3 -0.08 -0.03 -0.85 -0.04 1.68 0.68 2ze9A1 LYS 170 HE2 0.01 -0.01 0.09 -0.04 2.99 3.04 2ze9A1 LYS 170 HE3 0.08 0.04 0.04 -0.04 2.99 3.12 2ze9A1 LEU 171 H 0.05 0.46 0.19 -0.55 8.37 8.52 2ze9A1 LEU 171 HA 0.04 0.31 1.11 -0.75 4.35 5.06 2ze9A1 LEU 171 HB2 0.02 -0.08 -0.07 -0.04 1.64 1.47 2ze9A1 LEU 171 HB3 0.02 0.05 -0.08 -0.04 1.64 1.59 2ze9A1 LEU 171 HG 0.00 -0.02 -0.15 -0.04 1.64 1.43 2ze9A1 LEU 171 HD13 -0.56 -0.01 -0.14 -0.04 0.93 0.18 2ze9A1 LEU 171 HD23 -0.01 0.03 -0.12 -0.04 0.89 0.75 2ze9A1 LEU 172 H 0.06 0.65 0.34 -0.55 8.37 8.87 2ze9A1 LEU 172 HA 0.07 0.24 0.69 -0.75 4.35 4.59 2ze9A1 LEU 172 HB2 0.07 0.03 0.09 -0.04 1.64 1.79 2ze9A1 LEU 172 HB3 0.07 -0.02 0.17 -0.04 1.64 1.81 2ze9A1 LEU 172 HG 0.06 -0.04 -0.24 -0.04 1.64 1.39 2ze9A1 LEU 172 HD13 0.06 0.01 -0.15 -0.04 0.93 0.81 2ze9A1 LEU 172 HD23 0.07 0.02 -0.04 -0.04 0.89 0.89 2ze9A1 VAL 173 H 0.06 0.49 0.22 -0.55 8.24 8.46 2ze9A1 VAL 173 HA 0.06 0.35 1.09 -0.75 4.13 4.88 2ze9A1 VAL 173 HB 0.04 -0.10 0.05 -0.04 2.12 2.07 2ze9A1 VAL 173 HG13 0.05 -0.02 -0.11 -0.04 0.97 0.85 2ze9A1 VAL 173 HG23 0.03 0.00 -0.16 -0.04 0.95 0.79 2ze9A1 VAL 174 H 0.04 0.61 0.34 -0.55 8.24 8.68 2ze9A1 VAL 174 HA 0.01 0.29 1.10 -0.75 4.13 4.78 2ze9A1 VAL 174 HB 0.02 -0.04 0.10 -0.04 2.12 2.15 2ze9A1 VAL 174 HG13 -0.02 0.11 0.02 -0.04 0.97 1.03 2ze9A1 VAL 174 HG23 0.03 0.01 -0.35 -0.04 0.95 0.59 2ze9A1 ASP 175 H 0.00 0.61 0.30 -0.55 8.40 8.77 2ze9A1 ASP 175 HA 0.04 -0.01 0.39 -0.75 4.63 4.30 2ze9A1 ASP 175 HB2 -0.02 0.09 -0.01 -0.04 2.71 2.74 2ze9A1 ASP 175 HB3 0.03 0.10 0.23 -0.04 2.70 3.02 2ze9A1 GLY 176 H 0.02 0.04 -0.36 -0.55 8.43 7.59 2ze9A1 GLY 176 HA2 0.03 -0.01 0.05 -0.51 4.01 3.57 2ze9A1 GLY 176 HA3 0.02 0.08 0.38 -0.51 4.01 3.98 2ze9A1 LYS 177 H 0.02 0.59 -0.20 -0.55 8.42 8.27 2ze9A1 LYS 177 HA 0.02 0.12 0.77 -0.75 4.32 4.48 2ze9A1 LYS 177 HB2 0.01 0.06 0.06 -0.04 1.87 1.96 2ze9A1 LYS 177 HB3 0.01 -0.06 -0.03 -0.04 1.79 1.66 2ze9A1 LYS 177 HG2 0.01 -0.08 0.02 -0.04 1.46 1.37 2ze9A1 LYS 177 HG3 0.02 0.14 -0.20 -0.04 1.46 1.37 2ze9A1 LYS 177 HD2 0.01 -0.00 0.04 -0.04 1.69 1.69 2ze9A1 LYS 177 HD3 0.00 -0.04 0.01 -0.04 1.68 1.60 2ze9A1 LYS 177 HE2 0.01 -0.05 0.02 -0.04 2.99 2.93 2ze9A1 LYS 177 HE3 0.03 0.08 0.01 -0.04 2.99 3.07 2ze9A1 THR 178 H 0.03 0.37 0.32 -0.55 8.28 8.45 2ze9A1 THR 178 HA 0.03 0.22 1.05 -0.75 4.39 4.94 2ze9A1 THR 178 HB 0.04 0.09 0.17 -0.04 4.32 4.58 2ze9A1 THR 178 HG23 0.02 -0.01 -0.08 -0.04 1.22 1.10 2ze9A1 ALA 179 H 0.07 0.67 0.35 -0.55 8.40 8.94 2ze9A1 ALA 179 HA 0.11 0.28 0.95 -0.75 4.34 4.92 2ze9A1 ALA 179 HB3 0.25 -0.02 -0.09 -0.04 1.41 1.51 2ze9A1 ILE 180 H 0.11 0.61 0.35 -0.55 8.25 8.77 2ze9A1 ILE 180 HA 0.14 0.33 1.05 -0.75 4.18 4.95 2ze9A1 ILE 180 HB 0.08 -0.01 0.22 -0.04 1.89 2.14 2ze9A1 ILE 180 HG12 0.10 0.02 0.03 -0.04 1.49 1.60 2ze9A1 ILE 180 HG13 0.09 -0.04 -0.21 -0.04 1.21 1.00 2ze9A1 ILE 180 HG23 0.08 -0.00 -0.13 -0.04 0.93 0.84 2ze9A1 ILE 180 HD13 0.07 0.01 -0.16 -0.04 0.88 0.76 2ze9A1 THR 181 H 0.14 0.56 0.40 -0.55 8.28 8.83 2ze9A1 THR 181 HA 0.05 0.40 0.89 -0.75 4.39 4.98 2ze9A1 THR 181 HB 0.10 -0.05 -0.22 -0.04 4.32 4.10 2ze9A1 THR 181 HG23 -0.06 -0.02 -0.14 -0.04 1.22 0.96 2ze9A1 GLY 182 H 0.00 0.47 0.29 -0.55 8.43 8.66 2ze9A1 GLY 182 HA2 -0.04 -0.01 0.37 -0.51 4.01 3.83 2ze9A1 GLY 182 HA3 0.02 0.10 0.78 -0.51 4.01 4.39 2ze9A1 GLY 183 H 0.04 0.35 0.21 -0.55 8.43 8.49 2ze9A1 GLY 183 HA2 0.02 0.18 0.45 -0.51 4.01 4.15 2ze9A1 GLY 183 HA3 0.07 0.03 0.33 -0.51 4.01 3.94 2ze9A1 ILE 184 H -0.03 0.07 -0.27 -0.55 8.25 7.47 2ze9A1 ILE 184 HA -0.19 0.04 0.25 -0.75 4.18 3.52 2ze9A1 ILE 184 HB -0.14 -0.00 -0.07 -0.04 1.89 1.64 2ze9A1 ILE 184 HG12 0.01 0.05 -0.20 -0.04 1.49 1.30 2ze9A1 ILE 184 HG13 0.05 -0.16 -0.27 -0.04 1.21 0.78 2ze9A1 ILE 184 HG23 -0.60 0.00 -0.27 -0.04 0.93 0.03 2ze9A1 ILE 184 HD13 0.04 0.01 -0.22 -0.04 0.88 0.67 2ze9A1 ASN 185 H -0.53 0.15 0.21 -0.55 8.53 7.81 2ze9A1 ASN 185 HA -0.55 0.17 0.79 -0.75 4.76 4.43 2ze9A1 ASN 185 HB2 -1.83 -0.07 0.07 -0.04 2.88 1.01 2ze9A1 ASN 185 HB3 -2.04 0.10 0.01 -0.04 2.79 0.82 2ze9A1 ASN 185 HD21 -0.30 0.04 0.04 -0.04 7.03 6.77 2ze9A1 ASN 185 HD22 -1.30 -0.06 0.05 -0.04 7.74 6.39 2ze9A1 GLY 186 H -0.42 0.29 0.03 -0.55 8.43 7.78 2ze9A1 GLY 186 HA2 -2.07 0.09 0.35 -0.51 4.01 1.87 2ze9A1 GLY 186 HA3 -0.34 0.01 0.35 -0.51 4.01 3.52 2ze9A1 TRP 187 H -0.20 0.58 -0.33 -0.55 7.97 7.48 2ze9A1 TRP 187 HA 0.15 0.15 0.72 -0.75 4.62 4.89 2ze9A1 TRP 187 HB2 0.32 0.02 0.10 -0.04 3.23 3.62 2ze9A1 TRP 187 HB3 0.15 -0.05 0.01 -0.04 3.23 3.31 2ze9A1 TRP 187 HD1 -0.01 0.03 -0.84 -0.04 7.22 6.36 2ze9A1 TRP 187 HE1 -0.05 0.47 -0.24 -0.04 10.20 10.34 2ze9A1 TRP 187 HE3 0.13 -0.08 -0.01 -0.04 7.59 7.58 2ze9A1 TRP 187 HZ2 -0.02 0.14 -0.23 -0.04 7.44 7.28 2ze9A1 TRP 187 HZ3 -0.03 0.03 0.01 -0.04 7.13 7.10 2ze9A1 TRP 187 HH2 -0.01 -0.01 0.01 -0.04 7.19 7.13 2ze9A1 LYS 188 H 0.41 0.25 0.06 -0.55 8.42 8.59 2ze9A1 LYS 188 HA 0.34 0.07 0.13 -0.75 4.32 4.11 2ze9A1 LYS 188 HB2 0.07 -0.04 0.08 -0.04 1.87 1.94 2ze9A1 LYS 188 HB3 0.22 0.03 -0.13 -0.04 1.79 1.87 2ze9A1 LYS 188 HG2 0.14 -0.05 0.03 -0.04 1.46 1.54 2ze9A1 LYS 188 HG3 0.08 0.06 -0.19 -0.04 1.46 1.36 2ze9A1 LYS 188 HD2 0.06 0.00 0.04 -0.04 1.69 1.76 2ze9A1 LYS 188 HD3 0.12 -0.12 0.02 -0.04 1.68 1.66 2ze9A1 LYS 188 HE2 0.07 0.03 0.04 -0.04 2.99 3.08 2ze9A1 LYS 188 HE3 0.08 0.03 0.02 -0.04 2.99 3.09 2ze9A1 ASP 189 H 0.20 0.11 -0.21 -0.55 8.40 7.96 2ze9A1 ASP 189 HA 0.04 0.15 0.33 -0.75 4.63 4.40 2ze9A1 ASP 189 HB2 0.10 -0.03 0.03 -0.04 2.71 2.76 2ze9A1 ASP 189 HB3 0.05 0.11 -0.05 -0.04 2.70 2.77 2ze9A1 ASP 190 H 0.27 0.14 -0.25 -0.55 8.40 8.02 2ze9A1 ASP 190 HA 0.01 0.17 0.61 -0.75 4.63 4.66 2ze9A1 ASP 190 HB2 0.38 0.04 0.09 -0.04 2.71 3.18 2ze9A1 ASP 190 HB3 -0.14 0.00 -0.05 -0.04 2.70 2.48 2ze9A1 TYR 191 H 0.37 0.32 -0.06 -0.55 8.29 8.37 2ze9A1 TYR 191 HA 0.01 0.17 0.94 -0.75 4.56 4.93 2ze9A1 TYR 191 HB2 0.45 -0.07 -0.07 -0.04 3.06 3.33 2ze9A1 TYR 191 HB3 0.20 -0.01 -0.06 -0.04 2.98 3.07 2ze9A1 TYR 191 HD2 0.13 0.08 -0.02 -0.04 7.15 7.30 2ze9A1 TYR 191 HE2 -0.21 -0.04 -0.11 -0.04 6.85 6.45 2ze9A1 LEU 192 H 0.11 0.54 0.03 -0.55 8.37 8.50 2ze9A1 LEU 192 HA -0.04 0.26 0.92 -0.75 4.35 4.73 2ze9A1 LEU 192 HB2 -0.04 -0.09 0.16 -0.04 1.64 1.63 2ze9A1 LEU 192 HB3 -0.11 0.01 -0.02 -0.04 1.64 1.49 2ze9A1 LEU 192 HG -0.09 -0.06 -0.15 -0.04 1.64 1.30 2ze9A1 LEU 192 HD13 -0.58 -0.03 -0.01 -0.04 0.93 0.27 2ze9A1 LEU 192 HD23 -0.27 0.06 -0.19 -0.04 0.89 0.46 2ze9A1 ASP 193 H -0.01 0.40 0.12 -0.55 8.40 8.36 2ze9A1 ASP 193 HA -0.07 0.15 0.61 -0.75 4.63 4.56 2ze9A1 ASP 193 HB2 -0.01 -0.03 0.14 -0.04 2.71 2.77 2ze9A1 ASP 193 HB3 -0.03 0.03 0.10 -0.04 2.70 2.76 2ze9A1 THR 194 H -0.17 0.63 -0.08 -0.55 8.28 8.11 2ze9A1 THR 194 HA -0.23 0.05 0.59 -0.75 4.39 4.05 2ze9A1 THR 194 HB -0.27 0.29 -0.20 -0.04 4.32 4.10 2ze9A1 THR 194 HG23 -0.29 -0.01 -0.61 -0.04 1.22 0.27 2ze9A1 ALA 195 H -0.26 0.14 0.08 -0.55 8.40 7.81 2ze9A1 ALA 195 HA -0.30 0.27 0.82 -0.75 4.34 4.37 2ze9A1 ALA 195 HB3 -0.09 -0.00 0.10 -0.04 1.41 1.37 2ze9A1 HIS 196 H -0.81 0.03 -0.31 -0.55 8.41 6.78 2ze9A1 HIS 196 HA -1.90 0.16 0.62 -0.75 4.63 2.75 2ze9A1 HIS 196 HB2 -0.06 0.11 0.04 -0.04 3.26 3.32 2ze9A1 HIS 196 HB3 -0.18 -0.08 -0.08 -0.04 3.20 2.82 2ze9A1 HIS 196 HD2 -0.04 0.05 0.04 -0.04 6.97 6.97 2ze9A1 HIS 196 HE1 -0.05 0.01 0.00 -0.04 7.75 7.67 2ze9A1 PRO 197 HA -0.28 0.17 0.29 -0.51 4.44 4.10 2ze9A1 PRO 197 HB2 -0.13 0.06 -0.07 -0.04 2.28 2.10 2ze9A1 PRO 197 HB3 -0.23 0.14 -0.03 -0.04 2.02 1.85 2ze9A1 PRO 197 HG2 -0.69 -0.07 -0.05 -0.04 2.03 1.18 2ze9A1 PRO 197 HG3 -0.46 0.05 -0.02 -0.04 2.03 1.56 2ze9A1 PRO 197 HD2 -1.74 0.14 -0.35 -0.04 3.68 1.70 2ze9A1 PRO 197 HD3 -0.67 0.22 -0.35 -0.04 3.65 2.81 2ze9A1 VAL 198 H -0.30 0.50 0.29 -0.55 8.24 8.18 2ze9A1 VAL 198 HA -0.18 0.08 0.63 -0.75 4.13 3.91 2ze9A1 VAL 198 HB -1.04 -0.07 -0.03 -0.04 2.12 0.93 2ze9A1 VAL 198 HG13 -0.46 -0.03 -0.30 -0.04 0.97 0.15 2ze9A1 VAL 198 HG23 -0.70 0.02 0.03 -0.04 0.95 0.26 2ze9A1 SER 199 H -0.09 0.68 0.38 -0.55 8.46 8.88 2ze9A1 SER 199 HA 0.02 0.32 0.94 -0.75 4.49 5.02 2ze9A1 SER 199 HB2 -0.61 -0.01 0.18 -0.04 3.95 3.47 2ze9A1 SER 199 HB3 -0.41 -0.06 0.04 -0.04 3.93 3.46 2ze9A1 ASP 200 H 0.15 0.71 0.39 -0.55 8.40 9.10 2ze9A1 ASP 200 HA 0.36 -0.02 0.66 -0.75 4.63 4.88 2ze9A1 ASP 200 HB2 0.38 0.05 -0.57 -0.04 2.71 2.53 2ze9A1 ASP 200 HB3 0.29 0.00 -0.20 -0.04 2.70 2.76 2ze9A1 VAL 201 H 0.15 0.20 0.13 -0.55 8.24 8.17 2ze9A1 VAL 201 HA 0.05 0.24 0.76 -0.75 4.13 4.42 2ze9A1 VAL 201 HB -0.20 0.03 -0.20 -0.04 2.12 1.71 2ze9A1 VAL 201 HG13 -0.20 -0.03 -0.03 -0.04 0.97 0.66 2ze9A1 VAL 201 HG23 -0.06 0.03 -0.18 -0.04 0.95 0.70 2ze9A1 ASP 202 H 0.04 0.76 0.21 -0.55 8.40 8.86 2ze9A1 ASP 202 HA 0.05 0.15 0.85 -0.75 4.63 4.92 2ze9A1 ASP 202 HB2 0.05 0.08 0.06 -0.04 2.71 2.87 2ze9A1 ASP 202 HB3 0.08 0.08 0.05 -0.04 2.70 2.87 2ze9A1 MET 203 H 0.13 0.64 0.44 -0.55 8.47 9.14 2ze9A1 MET 203 HA 0.24 0.17 0.77 -0.75 4.52 4.95 2ze9A1 MET 203 HB2 0.51 0.02 0.10 -0.04 2.15 2.74 2ze9A1 MET 203 HB3 0.39 -0.03 0.03 -0.04 2.03 2.38 2ze9A1 MET 203 HG2 0.20 0.06 0.03 -0.04 2.63 2.88 2ze9A1 MET 203 HG3 0.26 -0.02 -0.24 -0.04 2.56 2.52 2ze9A1 MET 203 HE3 -0.03 -0.01 -0.19 -0.04 2.10 1.83 2ze9A1 ALA 204 H 0.34 0.50 0.34 -0.55 8.40 9.04 2ze9A1 ALA 204 HA 0.15 0.24 1.17 -0.75 4.34 5.15 2ze9A1 ALA 204 HB3 0.15 0.02 0.12 -0.04 1.41 1.66 2ze9A1 LEU 205 H 0.08 0.80 0.47 -0.55 8.37 9.17 2ze9A1 LEU 205 HA -0.01 0.03 0.90 -0.75 4.35 4.52 2ze9A1 LEU 205 HB2 -0.17 0.05 0.17 -0.04 1.64 1.65 2ze9A1 LEU 205 HB3 -0.14 -0.02 -0.07 -0.04 1.64 1.36 2ze9A1 LEU 205 HG -0.18 0.05 -0.10 -0.04 1.64 1.37 2ze9A1 LEU 205 HD13 -0.16 -0.02 -0.44 -0.04 0.93 0.27 2ze9A1 LEU 205 HD23 -0.87 -0.02 -0.20 -0.04 0.89 -0.24 2ze9A1 SER 206 H -0.06 0.56 0.45 -0.55 8.46 8.86 2ze9A1 SER 206 HA -0.00 0.24 0.95 -0.75 4.49 4.92 2ze9A1 SER 206 HB2 -0.00 0.12 0.20 -0.04 3.95 4.22 2ze9A1 SER 206 HB3 0.01 -0.00 0.03 -0.04 3.93 3.92 2ze9A1 GLY 207 H -0.01 0.61 0.33 -0.55 8.43 8.81 2ze9A1 GLY 207 HA2 -0.02 0.24 0.45 -0.51 4.01 4.17 2ze9A1 GLY 207 HA3 -0.05 0.09 1.13 -0.51 4.01 4.68 2ze9A1 PRO 208 HA 0.00 0.11 0.52 -0.51 4.44 4.55 2ze9A1 PRO 208 HB2 -0.01 -0.02 -0.02 -0.04 2.28 2.18 2ze9A1 PRO 208 HB3 -0.00 0.04 0.08 -0.04 2.02 2.09 2ze9A1 PRO 208 HG2 -0.02 0.21 0.01 -0.04 2.03 2.19 2ze9A1 PRO 208 HG3 -0.01 0.14 -0.32 -0.04 2.03 1.80 2ze9A1 PRO 208 HD2 -0.04 0.08 -0.02 -0.04 3.68 3.66 2ze9A1 PRO 208 HD3 -0.02 0.31 0.12 -0.04 3.65 4.02 2ze9A1 ALA 209 H -0.04 0.15 -0.49 -0.55 8.40 7.47 2ze9A1 ALA 209 HA 0.09 0.07 0.22 -0.75 4.34 3.97 2ze9A1 ALA 209 HB3 -0.16 0.02 -0.15 -0.04 1.41 1.08 2ze9A1 ALA 210 H 0.02 0.52 -0.51 -0.55 8.40 7.88 2ze9A1 ALA 210 HA 0.17 0.01 0.32 -0.75 4.34 4.09 2ze9A1 ALA 210 HB3 0.04 0.07 -0.46 -0.04 1.41 1.03 2ze9A1 ARG 211 H 0.05 0.31 -0.26 -0.55 8.46 8.00 2ze9A1 ARG 211 HA 0.04 0.00 0.50 -0.75 4.34 4.13 2ze9A1 ARG 211 HB2 0.02 0.16 0.16 -0.04 1.90 2.20 2ze9A1 ARG 211 HB3 0.03 0.19 0.19 -0.04 1.80 2.16 2ze9A1 ARG 211 HG2 0.02 -0.04 -0.27 -0.04 1.67 1.34 2ze9A1 ARG 211 HG3 0.02 -0.04 0.03 -0.04 1.67 1.63 2ze9A1 ARG 211 HD2 0.01 -0.04 0.02 -0.04 3.22 3.16 2ze9A1 ARG 211 HD3 0.00 0.02 -0.02 -0.04 3.22 3.17 2ze9A1 SER 212 H 0.09 0.35 -0.12 -0.55 8.46 8.24 2ze9A1 SER 212 HA 0.08 0.10 0.36 -0.75 4.49 4.27 2ze9A1 SER 212 HB2 0.25 0.12 0.02 -0.04 3.95 4.30 2ze9A1 SER 212 HB3 0.21 -0.03 -0.13 -0.04 3.93 3.95 2ze9A1 ALA 213 H 0.18 0.37 -0.55 -0.55 8.40 7.85 2ze9A1 ALA 213 HA -0.36 0.05 0.32 -0.75 4.34 3.60 2ze9A1 ALA 213 HB3 -0.07 0.03 -0.04 -0.04 1.41 1.29 2ze9A1 GLY 214 H 0.03 0.42 -0.24 -0.55 8.43 8.10 2ze9A1 GLY 214 HA2 0.02 -0.00 0.42 -0.51 4.01 3.94 2ze9A1 GLY 214 HA3 0.03 0.06 0.25 -0.51 4.01 3.83 2ze9A1 LYS 215 H 0.04 0.56 -0.31 -0.55 8.42 8.15 2ze9A1 LYS 215 HA 0.03 -0.06 0.42 -0.75 4.32 3.95 2ze9A1 LYS 215 HB2 0.06 0.20 0.10 -0.04 1.87 2.19 2ze9A1 LYS 215 HB3 0.03 0.05 0.05 -0.04 1.79 1.87 2ze9A1 LYS 215 HG2 0.02 -0.10 -0.01 -0.04 1.46 1.33 2ze9A1 LYS 215 HG3 0.02 -0.03 -0.09 -0.04 1.46 1.32 2ze9A1 LYS 215 HD2 -0.01 0.33 0.09 -0.04 1.69 2.07 2ze9A1 LYS 215 HD3 0.01 -0.13 0.03 -0.04 1.68 1.55 2ze9A1 LYS 215 HE2 -0.01 -0.02 -0.01 -0.04 2.99 2.92 2ze9A1 LYS 215 HE3 0.00 -0.03 -0.05 -0.04 2.99 2.87 2ze9A1 TYR 216 H 0.11 0.39 -0.26 -0.55 8.29 7.98 2ze9A1 TYR 216 HA 0.00 0.08 0.41 -0.75 4.56 4.30 2ze9A1 TYR 216 HB2 -0.00 0.13 0.07 -0.04 3.06 3.22 2ze9A1 TYR 216 HB3 -0.37 0.15 0.11 -0.04 2.98 2.83 2ze9A1 TYR 216 HD2 -0.12 0.04 -0.08 -0.04 7.15 6.95 2ze9A1 TYR 216 HE2 0.01 -0.05 -0.05 -0.04 6.85 6.71 2ze9A1 LEU 217 H 0.05 0.32 -0.39 -0.55 8.37 7.80 2ze9A1 LEU 217 HA -0.04 0.01 0.40 -0.75 4.35 3.97 2ze9A1 LEU 217 HB2 0.09 0.08 0.12 -0.04 1.64 1.90 2ze9A1 LEU 217 HB3 0.27 -0.05 -0.07 -0.04 1.64 1.75 2ze9A1 LEU 217 HG 0.07 0.14 -0.05 -0.04 1.64 1.76 2ze9A1 LEU 217 HD13 0.08 -0.03 -0.17 -0.04 0.93 0.77 2ze9A1 LEU 217 HD23 0.14 -0.02 -0.13 -0.04 0.89 0.85 2ze9A1 ASP 218 H 0.07 0.63 -0.03 -0.55 8.40 8.52 2ze9A1 ASP 218 HA 0.18 0.05 0.57 -0.75 4.63 4.66 2ze9A1 ASP 218 HB2 0.04 0.16 0.18 -0.04 2.71 3.06 2ze9A1 ASP 218 HB3 0.05 0.04 0.02 -0.04 2.70 2.77 2ze9A1 THR 219 H -0.01 0.46 -0.33 -0.55 8.28 7.85 2ze9A1 THR 219 HA 0.02 0.01 0.51 -0.75 4.39 4.17 2ze9A1 THR 219 HB -0.21 0.37 0.13 -0.04 4.32 4.57 2ze9A1 THR 219 HG23 -0.07 -0.04 -0.13 -0.04 1.22 0.95 2ze9A1 LEU 220 H -0.16 0.36 -0.19 -0.55 8.37 7.83 2ze9A1 LEU 220 HA -0.10 0.03 0.57 -0.75 4.35 4.09 2ze9A1 LEU 220 HB2 -0.15 0.14 0.14 -0.04 1.64 1.73 2ze9A1 LEU 220 HB3 -0.26 -0.06 -0.04 -0.04 1.64 1.24 2ze9A1 LEU 220 HG -0.70 0.24 0.03 -0.04 1.64 1.16 2ze9A1 LEU 220 HD13 -0.16 -0.03 -0.06 -0.04 0.93 0.64 2ze9A1 LEU 220 HD23 -0.31 -0.01 -0.05 -0.04 0.89 0.47 2ze9A1 TRP 221 H 0.27 0.67 -0.01 -0.55 7.97 8.35 2ze9A1 TRP 221 HA 0.10 0.01 0.65 -0.75 4.62 4.62 2ze9A1 TRP 221 HB2 0.02 0.13 0.16 -0.04 3.23 3.50 2ze9A1 TRP 221 HB3 0.04 -0.09 -0.07 -0.04 3.23 3.07 2ze9A1 TRP 221 HD1 0.01 0.22 -0.09 -0.04 7.22 7.33 2ze9A1 TRP 221 HE1 0.06 0.01 -0.14 -0.04 10.20 10.09 2ze9A1 TRP 221 HE3 0.06 -0.09 -0.10 -0.04 7.59 7.42 2ze9A1 TRP 221 HZ2 0.11 -0.03 -0.42 -0.04 7.44 7.06 2ze9A1 TRP 221 HZ3 0.08 -0.01 -0.19 -0.04 7.13 6.97 2ze9A1 TRP 221 HH2 0.12 -0.01 -0.31 -0.04 7.19 6.95 2ze9A1 ASP 222 H 0.19 0.79 -0.06 -0.55 8.40 8.78 2ze9A1 ASP 222 HA 0.13 -0.04 0.61 -0.75 4.63 4.57 2ze9A1 ASP 222 HB2 0.09 0.03 0.14 -0.04 2.71 2.92 2ze9A1 ASP 222 HB3 0.11 0.14 0.22 -0.04 2.70 3.13 2ze9A1 TRP 223 H 0.26 0.42 -0.17 -0.55 7.97 7.93 2ze9A1 TRP 223 HA -0.00 0.02 0.36 -0.75 4.62 4.24 2ze9A1 TRP 223 HB2 -0.04 0.05 0.14 -0.04 3.23 3.33 2ze9A1 TRP 223 HB3 -0.07 0.11 0.11 -0.04 3.23 3.34 2ze9A1 TRP 223 HD1 -0.01 0.03 0.12 -0.04 7.22 7.32 2ze9A1 TRP 223 HE1 -0.00 0.18 0.19 -0.04 10.20 10.53 2ze9A1 TRP 223 HE3 -0.10 0.07 -0.30 -0.04 7.59 7.21 2ze9A1 TRP 223 HZ2 0.00 0.11 0.11 -0.04 7.44 7.62 2ze9A1 TRP 223 HZ3 -0.07 -0.03 -0.19 -0.04 7.13 6.81 2ze9A1 TRP 223 HH2 -0.01 0.15 -0.15 -0.04 7.19 7.14 2ze9A1 THR 224 H 0.21 0.34 -0.33 -0.55 8.28 7.96 2ze9A1 THR 224 HA -0.07 0.04 0.34 -0.75 4.39 3.95 2ze9A1 THR 224 HB -0.18 -0.04 0.11 -0.04 4.32 4.17 2ze9A1 THR 224 HG23 -0.27 -0.01 -0.21 -0.04 1.22 0.68 2ze9A1 CYS 225 H 0.19 0.72 -0.01 -0.55 8.50 8.86 2ze9A1 CYS 225 HA 0.12 -0.00 0.58 -0.75 4.58 4.52 2ze9A1 CYS 225 HB2 0.13 0.15 0.15 -0.04 2.97 3.36 2ze9A1 CYS 225 HB3 0.09 -0.05 -0.03 -0.04 2.97 2.94 2ze9A1 ARG 226 H -0.06 0.64 -0.16 -0.55 8.46 8.34 2ze9A1 ARG 226 HA -0.07 -0.01 0.44 -0.75 4.34 3.94 2ze9A1 ARG 226 HB2 -0.20 0.13 0.15 -0.04 1.90 1.94 2ze9A1 ARG 226 HB3 -0.17 -0.06 0.01 -0.04 1.80 1.55 2ze9A1 ARG 226 HG2 -0.04 -0.06 0.04 -0.04 1.67 1.57 2ze9A1 ARG 226 HG3 -0.02 0.07 0.04 -0.04 1.67 1.73 2ze9A1 ARG 226 HD2 -0.04 -0.02 -0.00 -0.04 3.22 3.11 2ze9A1 ARG 226 HD3 -0.01 -0.05 -0.01 -0.04 3.22 3.11 2ze9A1 ASN 227 H -0.48 0.62 -0.11 -0.55 8.53 8.01 2ze9A1 ASN 227 HA -0.33 0.02 0.43 -0.75 4.76 4.13 2ze9A1 ASN 227 HB2 -1.56 0.14 0.12 -0.04 2.88 1.54 2ze9A1 ASN 227 HB3 -0.75 -0.08 0.18 -0.04 2.79 2.10 2ze9A1 ASN 227 HD21 -0.78 -0.07 0.05 -0.04 7.03 6.18 2ze9A1 ASN 227 HD22 -1.16 0.49 0.22 -0.04 7.74 7.25 2ze9A1 ALA 228 H -0.12 0.38 -0.57 -0.55 8.40 7.53 2ze9A1 ALA 228 HA -0.00 0.10 0.57 -0.75 4.34 4.26 2ze9A1 ALA 228 HB3 0.04 0.02 0.07 -0.04 1.41 1.50 2ze9A1 SER 229 H -0.08 0.37 -0.21 -0.55 8.46 8.00 2ze9A1 SER 229 HA -0.01 0.06 0.60 -0.75 4.49 4.39 2ze9A1 SER 229 HB2 -0.03 -0.07 0.15 -0.04 3.95 3.96 2ze9A1 SER 229 HB3 -0.04 0.04 0.15 -0.04 3.93 4.04 2ze9A1 ASP 230 H -0.06 0.48 -0.57 -0.55 8.40 7.71 2ze9A1 ASP 230 HA 0.01 0.18 0.96 -0.75 4.63 5.03 2ze9A1 ASP 230 HB2 -0.03 0.01 -0.02 -0.04 2.71 2.63 2ze9A1 ASP 230 HB3 -0.06 0.09 0.24 -0.04 2.70 2.93 2ze9A1 PRO 231 HA 0.21 0.47 0.50 -0.51 4.44 5.11 2ze9A1 PRO 231 HB2 0.19 -0.04 0.02 -0.04 2.28 2.41 2ze9A1 PRO 231 HB3 0.30 0.01 0.16 -0.04 2.02 2.45 2ze9A1 PRO 231 HG2 0.08 -0.01 0.08 -0.04 2.03 2.14 2ze9A1 PRO 231 HG3 0.10 0.16 0.08 -0.04 2.03 2.32 2ze9A1 PRO 231 HD2 0.06 0.02 0.18 -0.04 3.68 3.90 2ze9A1 PRO 231 HD3 0.04 0.33 -0.14 -0.04 3.65 3.84 2ze9A1 ALA 232 H 0.05 0.05 -0.28 -0.55 8.40 7.67 2ze9A1 ALA 232 HA -0.04 0.10 0.60 -0.75 4.34 4.25 2ze9A1 ALA 232 HB3 0.03 -0.02 0.07 -0.04 1.41 1.45 2ze9A1 LYS 233 H -0.00 0.61 -0.05 -0.55 8.42 8.42 2ze9A1 LYS 233 HA 0.05 0.17 0.90 -0.75 4.32 4.68 2ze9A1 LYS 233 HB2 -0.02 0.16 0.23 -0.04 1.87 2.20 2ze9A1 LYS 233 HB3 0.29 -0.02 0.08 -0.04 1.79 2.10 2ze9A1 LYS 233 HG2 0.16 0.03 -0.01 -0.04 1.46 1.61 2ze9A1 LYS 233 HG3 0.06 -0.15 -0.04 -0.04 1.46 1.29 2ze9A1 LYS 233 HD2 -0.00 -0.01 0.09 -0.04 1.69 1.73 2ze9A1 LYS 233 HD3 0.36 0.06 0.10 -0.04 1.68 2.16 2ze9A1 LYS 233 HE2 0.20 0.04 0.06 -0.04 2.99 3.25 2ze9A1 LYS 233 HE3 0.09 -0.09 0.03 -0.04 2.99 2.98 2ze9A1 VAL 234 H -0.01 0.47 0.22 -0.55 8.24 8.37 2ze9A1 VAL 234 HA 0.01 0.26 1.10 -0.75 4.13 4.75 2ze9A1 VAL 234 HB -0.02 0.05 -0.14 -0.04 2.12 1.96 2ze9A1 VAL 234 HG13 0.07 -0.00 -0.26 -0.04 0.97 0.74 2ze9A1 VAL 234 HG23 -0.08 -0.01 -0.22 -0.04 0.95 0.60 2ze9A1 TRP 235 H 0.11 0.55 0.32 -0.55 7.97 8.41 2ze9A1 TRP 235 HA 0.03 0.18 0.83 -0.75 4.62 4.91 2ze9A1 TRP 235 HB2 0.04 -0.05 0.22 -0.04 3.23 3.41 2ze9A1 TRP 235 HB3 0.05 -0.10 0.07 -0.04 3.23 3.21 2ze9A1 TRP 235 HD1 -0.00 0.16 0.19 -0.04 7.22 7.53 2ze9A1 TRP 235 HE1 -0.02 -0.00 0.01 -0.04 10.20 10.15 2ze9A1 TRP 235 HE3 0.02 -0.03 0.13 -0.04 7.59 7.68 2ze9A1 TRP 235 HZ2 -0.03 -0.02 -0.00 -0.04 7.44 7.34 2ze9A1 TRP 235 HZ3 -0.01 0.00 -0.07 -0.04 7.13 7.01 2ze9A1 TRP 235 HH2 -0.03 -0.02 -0.00 -0.04 7.19 7.10 2ze9A1 LEU 236 H 0.20 0.27 0.19 -0.55 8.37 8.48 2ze9A1 LEU 236 HA 0.23 0.30 1.11 -0.75 4.35 5.24 2ze9A1 LEU 236 HB2 0.18 0.04 -0.17 -0.04 1.64 1.65 2ze9A1 LEU 236 HB3 0.14 0.02 0.03 -0.04 1.64 1.78 2ze9A1 LEU 236 HG 0.14 -0.03 -0.45 -0.04 1.64 1.26 2ze9A1 LEU 236 HD13 0.31 0.01 -0.17 -0.04 0.93 1.04 2ze9A1 LEU 236 HD23 0.11 0.01 -0.07 -0.04 0.89 0.90 2ze9A1 ALA 237 H 0.18 0.74 0.31 -0.55 8.40 9.09 2ze9A1 ALA 237 HA 0.06 0.12 0.80 -0.75 4.34 4.57 2ze9A1 ALA 237 HB3 0.05 -0.00 -0.14 -0.04 1.41 1.28 2ze9A1 THR 238 H 0.04 0.16 0.13 -0.55 8.28 8.06 2ze9A1 THR 238 HA 0.04 0.22 0.94 -0.75 4.39 4.83 2ze9A1 THR 238 HB 0.01 0.13 0.14 -0.04 4.32 4.56 2ze9A1 THR 238 HG23 0.05 -0.02 -0.15 -0.04 1.22 1.06 2ze9A1 SER 239 H 0.00 0.54 0.31 -0.55 8.46 8.77 2ze9A1 SER 239 HA -0.00 0.12 0.92 -0.75 4.49 4.77 2ze9A1 SER 239 HB2 -0.01 -0.01 0.14 -0.04 3.95 4.03 2ze9A1 SER 239 HB3 -0.01 -0.02 -0.00 -0.04 3.93 3.86 2ze9A1 ASN 240 H -0.01 0.13 0.15 -0.55 8.53 8.26 2ze9A1 ASN 240 HA -0.01 0.01 0.33 -0.75 4.76 4.34 2ze9A1 ASN 240 HB2 -0.01 0.12 -0.07 -0.04 2.88 2.89 2ze9A1 ASN 240 HB3 -0.01 0.02 0.18 -0.04 2.79 2.95 2ze9A1 ASN 240 HD21 -0.01 0.35 -0.09 -0.04 7.03 7.24 2ze9A1 ASN 240 HD22 -0.01 -0.09 -0.22 -0.04 7.74 7.38 2ze9A1 GLY 241 H -0.00 0.03 -0.25 -0.55 8.43 7.66 2ze9A1 GLY 241 HA2 -0.00 -0.02 0.21 -0.51 4.01 3.68 2ze9A1 GLY 241 HA3 -0.00 0.07 0.53 -0.51 4.01 4.10 2ze9A1 ALA 242 H -0.00 0.38 -0.31 -0.55 8.40 7.93 2ze9A1 ALA 242 HA -0.01 -0.01 0.23 -0.75 4.34 3.80 2ze9A1 ALA 242 HB3 -0.01 0.01 0.08 -0.04 1.41 1.45 2ze9A1 SER 243 H -0.01 0.07 0.14 -0.55 8.46 8.11 2ze9A1 SER 243 HA 0.01 0.07 0.59 -0.75 4.49 4.40 2ze9A1 SER 243 HB2 -0.01 0.01 0.02 -0.04 3.95 3.93 2ze9A1 SER 243 HB3 0.00 -0.00 0.15 -0.04 3.93 4.04 2ze9A1 CYS 244 H 0.03 0.10 0.15 -0.55 8.50 8.22 2ze9A1 CYS 244 HA 0.03 0.06 0.50 -0.75 4.58 4.41 2ze9A1 CYS 244 HB2 0.08 0.04 0.12 -0.04 2.97 3.16 2ze9A1 CYS 244 HB3 0.07 -0.00 0.04 -0.04 2.97 3.04 2ze9A1 MET 245 H -0.11 0.15 0.04 -0.55 8.47 8.01 2ze9A1 MET 245 HA -0.04 0.23 0.80 -0.75 4.52 4.75 2ze9A1 MET 245 HB2 -0.28 0.01 0.14 -0.04 2.15 1.98 2ze9A1 MET 245 HB3 -0.14 -0.14 0.05 -0.04 2.03 1.76 2ze9A1 MET 245 HG2 -0.07 0.03 -0.16 -0.04 2.63 2.39 2ze9A1 MET 245 HG3 -0.10 0.19 -0.26 -0.04 2.56 2.35 2ze9A1 MET 245 HE3 -0.17 -0.01 -0.18 -0.04 2.10 1.70 2ze9A1 PRO 246 HA 0.21 0.07 0.15 -0.51 4.44 4.36 2ze9A1 PRO 246 HB2 0.07 0.03 -0.08 -0.04 2.28 2.26 2ze9A1 PRO 246 HB3 0.10 0.09 0.05 -0.04 2.02 2.22 2ze9A1 PRO 246 HG2 0.02 -0.01 -0.01 -0.04 2.03 1.99 2ze9A1 PRO 246 HG3 0.04 0.08 -0.01 -0.04 2.03 2.10 2ze9A1 PRO 246 HD2 0.01 0.32 0.05 -0.04 3.68 4.02 2ze9A1 PRO 246 HD3 0.06 0.10 -0.24 -0.04 3.65 3.53 2ze9A1 SER 247 H -0.02 0.06 -0.62 -0.55 8.46 7.34 2ze9A1 SER 247 HA 0.02 0.19 0.55 -0.75 4.49 4.49 2ze9A1 SER 247 HB2 0.01 0.03 -0.18 -0.04 3.95 3.77 2ze9A1 SER 247 HB3 -0.01 0.06 -0.07 -0.04 3.93 3.88 2ze9A1 MET 248 H -0.08 0.31 -0.19 -0.55 8.47 7.96 2ze9A1 MET 248 HA -0.06 0.09 0.27 -0.75 4.52 4.07 2ze9A1 MET 248 HB2 -0.18 0.07 0.06 -0.04 2.15 2.06 2ze9A1 MET 248 HB3 -0.14 -0.02 -0.00 -0.04 2.03 1.82 2ze9A1 MET 248 HG2 -0.06 -0.04 -0.23 -0.04 2.63 2.25 2ze9A1 MET 248 HG3 -0.08 0.04 -0.02 -0.04 2.56 2.46 2ze9A1 MET 248 HE3 -0.10 -0.02 -0.18 -0.04 2.10 1.76 2ze9A1 GLU 249 H -0.02 0.11 -0.26 -0.55 8.60 7.88 2ze9A1 GLU 249 HA -0.01 0.08 0.34 -0.75 4.29 3.94 2ze9A1 GLU 249 HB2 0.01 0.08 -0.11 -0.04 2.09 2.04 2ze9A1 GLU 249 HB3 0.01 0.02 -0.10 -0.04 1.99 1.88 2ze9A1 GLU 249 HG2 -0.01 -0.06 -0.06 -0.04 2.34 2.16 2ze9A1 GLU 249 HG3 0.02 0.17 0.06 -0.04 2.34 2.56 2ze9A1 GLN 250 H 0.00 0.09 -0.11 -0.55 8.47 7.90 2ze9A1 GLN 250 HA -0.00 0.11 0.60 -0.75 4.36 4.31 2ze9A1 GLN 250 HB2 0.00 -0.02 0.09 -0.04 2.15 2.18 2ze9A1 GLN 250 HB3 -0.00 0.04 0.04 -0.04 2.02 2.05 2ze9A1 GLN 250 HG2 -0.00 -0.01 -0.02 -0.04 2.40 2.33 2ze9A1 GLN 250 HG3 -0.01 0.01 -0.15 -0.04 2.39 2.20 2ze9A1 GLN 250 HE21 -0.01 0.20 0.05 -0.04 6.97 7.18 2ze9A1 GLN 250 HE22 -0.01 -0.08 0.04 -0.04 7.69 7.60 2ze9A1 ASP 251 H -0.02 0.57 -0.17 -0.55 8.40 8.24 2ze9A1 ASP 251 HA -0.03 0.01 0.39 -0.75 4.63 4.25 2ze9A1 ASP 251 HB2 -0.04 0.18 0.04 -0.04 2.71 2.84 2ze9A1 ASP 251 HB3 -0.04 -0.02 -0.02 -0.04 2.70 2.58 2ze9A1 GLU 252 H -0.02 0.18 -0.49 -0.55 8.60 7.72 2ze9A1 GLU 252 HA -0.06 0.10 0.47 -0.75 4.29 4.06 2ze9A1 GLU 252 HB2 -0.01 -0.03 -0.04 -0.04 2.09 1.97 2ze9A1 GLU 252 HB3 -0.00 -0.00 0.05 -0.04 1.99 2.00 2ze9A1 GLU 252 HG2 0.05 -0.24 -0.22 -0.04 2.34 1.89 2ze9A1 GLU 252 HG3 0.03 0.14 -0.33 -0.04 2.34 2.14 2ze9A1 ALA 253 H -0.01 0.46 0.00 -0.55 8.40 8.31 2ze9A1 ALA 253 HA 0.00 0.02 0.46 -0.75 4.34 4.07 2ze9A1 ALA 253 HB3 -0.00 -0.01 0.09 -0.04 1.41 1.45 2ze9A1 GLY 254 H -0.02 0.36 -0.41 -0.55 8.43 7.82 2ze9A1 GLY 254 HA2 -0.02 0.00 0.26 -0.51 4.01 3.75 2ze9A1 GLY 254 HA3 -0.02 -0.04 0.49 -0.51 4.01 3.93 2ze9A1 SER 255 H -0.01 0.09 0.21 -0.55 8.46 8.21 2ze9A1 SER 255 HA -0.01 0.17 0.56 -0.75 4.49 4.46 2ze9A1 SER 255 HB2 -0.01 -0.04 -0.09 -0.04 3.95 3.77 2ze9A1 SER 255 HB3 -0.01 0.00 0.03 -0.04 3.93 3.91 2ze9A1 ALA 256 H -0.01 0.29 0.09 -0.55 8.40 8.23 2ze9A1 ALA 256 HA -0.01 0.16 0.95 -0.75 4.34 4.69 2ze9A1 ALA 256 HB3 -0.00 0.00 0.09 -0.04 1.41 1.46 2ze9A1 PRO 257 HA -0.01 0.07 0.59 -0.51 4.44 4.58 2ze9A1 PRO 257 HB2 -0.01 0.13 -0.01 -0.04 2.28 2.36 2ze9A1 PRO 257 HB3 -0.01 -0.01 0.10 -0.04 2.02 2.06 2ze9A1 PRO 257 HG2 -0.00 0.02 0.01 -0.04 2.03 2.02 2ze9A1 PRO 257 HG3 -0.00 0.00 0.06 -0.04 2.03 2.05 2ze9A1 PRO 257 HD2 -0.00 0.05 0.24 -0.04 3.68 3.92 2ze9A1 PRO 257 HD3 -0.01 0.14 0.15 -0.04 3.65 3.89 2ze9A1 ALA 258 H -0.00 0.06 0.15 -0.55 8.40 8.07 2ze9A1 ALA 258 HA 0.00 0.10 0.64 -0.75 4.34 4.32 2ze9A1 ALA 258 HB3 0.00 -0.01 0.12 -0.04 1.41 1.48 2ze9A1 GLU 259 H -0.00 0.13 0.16 -0.55 8.60 8.34 2ze9A1 GLU 259 HA -0.01 0.13 0.62 -0.75 4.29 4.28 2ze9A1 GLU 259 HB2 -0.00 -0.04 0.12 -0.04 2.09 2.13 2ze9A1 GLU 259 HB3 -0.00 0.08 0.07 -0.04 1.99 2.10 2ze9A1 GLU 259 HG2 0.00 0.09 0.02 -0.04 2.34 2.42 2ze9A1 GLU 259 HG3 0.00 -0.03 0.03 -0.04 2.34 2.30 2ze9A1 PRO 260 HA -0.02 0.15 0.79 -0.51 4.44 4.85 2ze9A1 PRO 260 HB2 -0.02 0.01 0.09 -0.04 2.28 2.32 2ze9A1 PRO 260 HB3 -0.02 -0.06 0.28 -0.04 2.02 2.18 2ze9A1 PRO 260 HG2 -0.01 0.00 0.12 -0.04 2.03 2.10 2ze9A1 PRO 260 HG3 -0.01 0.05 0.11 -0.04 2.03 2.13 2ze9A1 PRO 260 HD2 -0.01 0.07 0.24 -0.04 3.68 3.94 2ze9A1 PRO 260 HD3 -0.01 0.20 0.29 -0.04 3.65 4.09 2ze9A1 THR 261 H -0.03 0.46 0.36 -0.55 8.28 8.53 2ze9A1 THR 261 HA -0.01 0.20 0.82 -0.75 4.39 4.65 2ze9A1 THR 261 HB -0.02 -0.04 0.04 -0.04 4.32 4.26 2ze9A1 THR 261 HG23 -0.01 0.03 -0.10 -0.04 1.22 1.10 2ze9A1 GLY 262 H -0.03 0.26 -0.02 -0.55 8.43 8.09 2ze9A1 GLY 262 HA2 -0.03 0.11 0.46 -0.51 4.01 4.04 2ze9A1 GLY 262 HA3 -0.04 0.00 0.20 -0.51 4.01 3.66 2ze9A1 ASP 263 H -0.05 0.13 0.21 -0.55 8.40 8.14 2ze9A1 ASP 263 HA -0.04 0.13 0.93 -0.75 4.63 4.90 2ze9A1 ASP 263 HB2 -0.03 0.01 0.24 -0.04 2.71 2.89 2ze9A1 ASP 263 HB3 -0.02 0.05 -0.05 -0.04 2.70 2.63 2ze9A1 VAL 264 H -0.08 0.67 0.20 -0.55 8.24 8.47 2ze9A1 VAL 264 HA -0.09 0.24 0.66 -0.75 4.13 4.18 2ze9A1 VAL 264 HB -0.16 -0.11 -0.12 -0.04 2.12 1.69 2ze9A1 VAL 264 HG13 -0.21 0.03 -0.12 -0.04 0.97 0.63 2ze9A1 VAL 264 HG23 -0.15 0.01 0.05 -0.04 0.95 0.82 2ze9A1 PRO 265 HA -0.06 0.21 1.14 -0.51 4.44 5.22 2ze9A1 PRO 265 HB2 -0.04 -0.00 0.06 -0.04 2.28 2.26 2ze9A1 PRO 265 HB3 -0.04 -0.01 0.13 -0.04 2.02 2.06 2ze9A1 PRO 265 HG2 -0.06 -0.07 0.26 -0.04 2.03 2.12 2ze9A1 PRO 265 HG3 -0.04 0.09 0.18 -0.04 2.03 2.22 2ze9A1 PRO 265 HD2 -0.09 0.22 0.44 -0.04 3.68 4.21 2ze9A1 PRO 265 HD3 -0.06 0.23 0.46 -0.04 3.65 4.24 2ze9A1 VAL 266 H -0.06 0.76 0.42 -0.55 8.24 8.81 2ze9A1 VAL 266 HA -0.12 0.32 1.05 -0.75 4.13 4.63 2ze9A1 VAL 266 HB -0.14 -0.06 -0.03 -0.04 2.12 1.85 2ze9A1 VAL 266 HG13 -0.21 -0.01 -0.28 -0.04 0.97 0.44 2ze9A1 VAL 266 HG23 -0.24 -0.01 -0.37 -0.04 0.95 0.29 2ze9A1 ILE 267 H -0.04 0.74 0.36 -0.55 8.25 8.76 2ze9A1 ILE 267 HA 0.11 0.22 0.87 -0.75 4.18 4.63 2ze9A1 ILE 267 HB -0.01 -0.04 0.14 -0.04 1.89 1.95 2ze9A1 ILE 267 HG12 0.10 0.01 0.03 -0.04 1.49 1.58 2ze9A1 ILE 267 HG13 0.01 -0.04 -0.19 -0.04 1.21 0.95 2ze9A1 ILE 267 HG23 0.07 -0.01 -0.26 -0.04 0.93 0.68 2ze9A1 ILE 267 HD13 -0.02 0.00 -0.06 -0.04 0.88 0.76 2ze9A1 ALA 268 H 0.18 0.74 0.20 -0.55 8.40 8.97 2ze9A1 ALA 268 HA -0.07 0.20 0.88 -0.75 4.34 4.59 2ze9A1 ALA 268 HB3 0.42 0.01 -0.01 -0.04 1.41 1.78 2ze9A1 VAL 269 H -0.55 0.56 0.24 -0.55 8.24 7.94 2ze9A1 VAL 269 HA 0.12 0.20 0.84 -0.75 4.13 4.54 2ze9A1 VAL 269 HB 0.01 0.01 -0.30 -0.04 2.12 1.79 2ze9A1 VAL 269 HG13 -0.07 -0.01 -0.16 -0.04 0.97 0.68 2ze9A1 VAL 269 HG23 -0.08 0.01 -0.24 -0.04 0.95 0.60 2ze9A1 GLY 270 H 0.10 0.58 0.26 -0.55 8.43 8.82 2ze9A1 GLY 270 HA2 -0.11 0.01 0.60 -0.51 4.01 4.00 2ze9A1 GLY 270 HA3 -0.10 0.13 0.53 -0.51 4.01 4.06 2ze9A1 GLY 271 H 0.20 0.44 0.38 -0.55 8.43 8.91 2ze9A1 GLY 271 HA2 0.02 0.23 0.76 -0.51 4.01 4.52 2ze9A1 GLY 271 HA3 -0.03 -0.03 0.49 -0.51 4.01 3.93 2ze9A1 LEU 272 H -0.10 0.50 0.32 -0.55 8.37 8.55 2ze9A1 LEU 272 HA -0.09 0.14 0.77 -0.75 4.35 4.42 2ze9A1 LEU 272 HB2 -0.10 0.14 0.08 -0.04 1.64 1.72 2ze9A1 LEU 272 HB3 -0.13 -0.13 0.09 -0.04 1.64 1.43 2ze9A1 LEU 272 HG -0.00 0.06 -0.04 -0.04 1.64 1.61 2ze9A1 LEU 272 HD13 -0.02 -0.01 -0.05 -0.04 0.93 0.81 2ze9A1 LEU 272 HD23 -0.08 0.02 -0.13 -0.04 0.89 0.65 2ze9A1 GLY 273 H -0.12 0.00 -0.16 -0.55 8.43 7.61 2ze9A1 GLY 273 HA2 0.06 0.02 -0.13 -0.51 4.01 3.46 2ze9A1 GLY 273 HA3 -0.07 -0.02 0.09 -0.51 4.01 3.50 2ze9A1 VAL 274 H -0.01 0.23 0.15 -0.55 8.24 8.06 2ze9A1 VAL 274 HA 0.01 0.15 0.73 -0.75 4.13 4.27 2ze9A1 VAL 274 HB 0.05 0.01 0.02 -0.04 2.12 2.17 2ze9A1 VAL 274 HG13 -0.01 -0.01 -0.05 -0.04 0.97 0.86 2ze9A1 VAL 274 HG23 0.03 0.01 -0.14 -0.04 0.95 0.81 2ze9A1 GLY 275 H -0.03 0.15 -0.01 -0.55 8.43 8.00 2ze9A1 GLY 275 HA2 0.04 -0.02 0.19 -0.51 4.01 3.71 2ze9A1 GLY 275 HA3 -0.00 0.28 0.33 -0.51 4.01 4.10 2ze9A1 ILE 276 H -0.15 0.05 -0.24 -0.55 8.25 7.35 2ze9A1 ILE 276 HA -0.24 0.27 1.02 -0.75 4.18 4.47 2ze9A1 ILE 276 HB -0.24 0.02 0.05 -0.04 1.89 1.69 2ze9A1 ILE 276 HG12 -1.66 0.04 -0.10 -0.04 1.49 -0.28 2ze9A1 ILE 276 HG13 -0.62 0.04 -0.21 -0.04 1.21 0.38 2ze9A1 ILE 276 HG23 -0.08 -0.01 -0.15 -0.04 0.93 0.65 2ze9A1 ILE 276 HD13 -0.46 -0.02 -0.04 -0.04 0.88 0.33 2ze9A1 LYS 277 H -0.06 0.23 0.05 -0.55 8.42 8.08 2ze9A1 LYS 277 HA 0.03 0.13 0.70 -0.75 4.32 4.44 2ze9A1 LYS 277 HB2 -0.01 0.01 -0.19 -0.04 1.87 1.65 2ze9A1 LYS 277 HB3 -0.02 0.00 -0.09 -0.04 1.79 1.64 2ze9A1 LYS 277 HG2 0.02 -0.05 0.04 -0.04 1.46 1.43 2ze9A1 LYS 277 HG3 0.03 0.05 0.07 -0.04 1.46 1.57 2ze9A1 LYS 277 HD2 0.02 0.00 -0.04 -0.04 1.69 1.63 2ze9A1 LYS 277 HD3 0.01 -0.03 -0.11 -0.04 1.68 1.51 2ze9A1 LYS 277 HE2 0.02 0.08 0.10 -0.04 2.99 3.14 2ze9A1 LYS 277 HE3 0.02 -0.01 0.02 -0.04 2.99 2.98 2ze9A1 GLU 278 H 0.02 0.17 0.08 -0.55 8.60 8.32 2ze9A1 GLU 278 HA 0.00 0.05 0.43 -0.75 4.29 4.01 2ze9A1 GLU 278 HB2 0.02 0.01 0.14 -0.04 2.09 2.21 2ze9A1 GLU 278 HB3 0.01 0.04 -0.07 -0.04 1.99 1.93 2ze9A1 GLU 278 HG2 0.01 -0.03 -0.03 -0.04 2.34 2.24 2ze9A1 GLU 278 HG3 0.01 0.03 -0.01 -0.04 2.34 2.33 2ze9A1 SER 279 H 0.01 0.25 0.06 -0.55 8.46 8.23 2ze9A1 SER 279 HA 0.01 0.24 0.43 -0.75 4.49 4.41 2ze9A1 SER 279 HB2 0.03 0.08 -0.00 -0.04 3.95 4.01 2ze9A1 SER 279 HB3 0.02 0.04 -0.16 -0.04 3.93 3.79 2ze9A1 ASP 280 H 0.02 0.22 -0.01 -0.55 8.40 8.08 2ze9A1 ASP 280 HA 0.02 0.17 0.73 -0.75 4.63 4.80 2ze9A1 ASP 280 HB2 0.03 0.20 0.09 -0.04 2.71 2.99 2ze9A1 ASP 280 HB3 0.03 0.10 0.27 -0.04 2.70 3.06 2ze9A1 PRO 281 HA 0.02 0.13 0.38 -0.51 4.44 4.46 2ze9A1 PRO 281 HB2 0.01 0.05 0.00 -0.04 2.28 2.30 2ze9A1 PRO 281 HB3 0.02 0.01 0.07 -0.04 2.02 2.07 2ze9A1 PRO 281 HG2 0.02 0.04 0.03 -0.04 2.03 2.07 2ze9A1 PRO 281 HG3 0.02 0.03 0.05 -0.04 2.03 2.08 2ze9A1 PRO 281 HD2 0.02 0.07 0.19 -0.04 3.68 3.91 2ze9A1 PRO 281 HD3 0.02 0.45 0.06 -0.04 3.65 4.14 2ze9A1 SER 282 H 0.02 -0.01 -0.53 -0.55 8.46 7.41 2ze9A1 SER 282 HA 0.02 0.20 0.65 -0.75 4.49 4.60 2ze9A1 SER 282 HB2 0.02 0.03 0.08 -0.04 3.95 4.04 2ze9A1 SER 282 HB3 0.02 -0.02 -0.01 -0.04 3.93 3.87 2ze9A1 SER 283 H 0.03 0.37 -0.26 -0.55 8.46 8.06 2ze9A1 SER 283 HA 0.04 0.06 0.60 -0.75 4.49 4.43 2ze9A1 SER 283 HB2 0.04 -0.14 0.13 -0.04 3.95 3.95 2ze9A1 SER 283 HB3 0.06 0.13 0.22 -0.04 3.93 4.30 2ze9A1 GLY 284 H 0.01 0.20 0.22 -0.55 8.43 8.31 2ze9A1 GLY 284 HA2 -0.03 0.17 0.74 -0.51 4.01 4.38 2ze9A1 GLY 284 HA3 -0.07 -0.02 0.34 -0.51 4.01 3.75 2ze9A1 TYR 285 H 0.11 0.12 0.00 -0.55 8.29 7.98 2ze9A1 TYR 285 HA -0.12 -0.08 0.31 -0.75 4.56 3.91 2ze9A1 TYR 285 HB2 -0.03 0.23 0.22 -0.04 3.06 3.43 2ze9A1 TYR 285 HB3 -0.02 -0.01 0.13 -0.04 2.98 3.04 2ze9A1 TYR 285 HD2 -0.01 0.03 -0.08 -0.04 7.15 7.06 2ze9A1 TYR 285 HE2 0.01 -0.03 -0.06 -0.04 6.85 6.73 2ze9A1 HIS 286 H -0.10 0.05 0.04 -0.55 8.41 7.86 2ze9A1 HIS 286 HA -0.22 0.17 0.89 -0.75 4.63 4.72 2ze9A1 HIS 286 HB2 -0.08 -0.04 0.12 -0.04 3.26 3.21 2ze9A1 HIS 286 HB3 -0.06 0.12 -0.06 -0.04 3.20 3.15 2ze9A1 HIS 286 HD2 -0.02 -0.02 0.02 -0.04 6.97 6.91 2ze9A1 HIS 286 HE1 -0.01 -0.04 -0.02 -0.04 7.75 7.64 2ze9A1 PRO 287 HA -0.13 0.11 0.35 -0.51 4.44 4.26 2ze9A1 PRO 287 HB2 -0.11 0.07 -0.20 -0.04 2.28 2.00 2ze9A1 PRO 287 HB3 -0.26 0.01 -0.03 -0.04 2.02 1.70 2ze9A1 PRO 287 HG2 -0.23 -0.02 -0.10 -0.04 2.03 1.64 2ze9A1 PRO 287 HG3 -0.90 0.03 -0.07 -0.04 2.03 1.05 2ze9A1 PRO 287 HD2 -0.35 0.08 0.04 -0.04 3.68 3.41 2ze9A1 PRO 287 HD3 -1.39 0.12 -0.29 -0.04 3.65 2.05 2ze9A1 ASP 288 H -0.06 0.13 0.10 -0.55 8.40 8.02 2ze9A1 ASP 288 HA -0.06 0.14 0.89 -0.75 4.63 4.85 2ze9A1 ASP 288 HB2 -0.04 -0.04 0.15 -0.04 2.71 2.74 2ze9A1 ASP 288 HB3 -0.03 0.03 0.03 -0.04 2.70 2.69 2ze9A1 LEU 289 H -0.04 0.15 0.01 -0.55 8.37 7.95 2ze9A1 LEU 289 HA -0.00 0.04 0.38 -0.75 4.35 4.02 2ze9A1 LEU 289 HB2 -0.02 -0.03 0.09 -0.04 1.64 1.64 2ze9A1 LEU 289 HB3 -0.01 0.24 0.13 -0.04 1.64 1.96 2ze9A1 LEU 289 HG -0.03 0.02 -0.15 -0.04 1.64 1.43 2ze9A1 LEU 289 HD13 -0.00 -0.06 -0.21 -0.04 0.93 0.62 2ze9A1 LEU 289 HD23 0.03 0.01 -0.17 -0.04 0.89 0.72 2ze9A1 PRO 290 HA 0.01 0.10 0.37 -0.51 4.44 4.40 2ze9A1 PRO 290 HB2 0.02 -0.08 0.04 -0.04 2.28 2.22 2ze9A1 PRO 290 HB3 0.03 0.00 0.11 -0.04 2.02 2.13 2ze9A1 PRO 290 HG2 0.00 0.14 0.11 -0.04 2.03 2.24 2ze9A1 PRO 290 HG3 0.03 -0.18 0.14 -0.04 2.03 1.98 2ze9A1 PRO 290 HD2 0.01 0.23 0.28 -0.04 3.68 4.16 2ze9A1 PRO 290 HD3 0.02 0.10 0.21 -0.04 3.65 3.94 2ze9A1 THR 291 H 0.01 -0.05 0.20 -0.55 8.28 7.90 2ze9A1 THR 291 HA -0.01 0.22 0.85 -0.75 4.39 4.69 2ze9A1 THR 291 HB -0.01 0.13 -0.13 -0.04 4.32 4.27 2ze9A1 THR 291 HG23 -0.00 -0.00 -0.06 -0.04 1.22 1.11 2ze9A1 ALA 292 H 0.01 -0.08 0.11 -0.55 8.40 7.89 2ze9A1 ALA 292 HA 0.01 0.18 0.23 -0.75 4.34 4.00 2ze9A1 ALA 292 HB3 0.04 0.01 0.06 -0.04 1.41 1.47 2ze9A1 PRO 293 HA -0.03 -0.00 0.36 -0.51 4.44 4.26 2ze9A1 PRO 293 HB2 -0.01 0.06 -0.12 -0.04 2.28 2.18 2ze9A1 PRO 293 HB3 -0.01 0.04 0.10 -0.04 2.02 2.10 2ze9A1 PRO 293 HG2 0.00 -0.02 0.02 -0.04 2.03 1.99 2ze9A1 PRO 293 HG3 -0.00 0.04 0.05 -0.04 2.03 2.08 2ze9A1 PRO 293 HD2 0.01 0.01 0.20 -0.04 3.68 3.85 2ze9A1 PRO 293 HD3 -0.00 0.31 0.30 -0.04 3.65 4.21 2ze9A1 ASP 294 H -0.04 0.15 0.21 -0.55 8.40 8.18 2ze9A1 ASP 294 HA 0.05 0.10 0.69 -0.75 4.63 4.71 2ze9A1 ASP 294 HB2 -0.19 0.03 0.14 -0.04 2.71 2.65 2ze9A1 ASP 294 HB3 -0.08 0.27 0.25 -0.04 2.70 3.10 2ze9A1 THR 295 H 0.04 0.15 0.16 -0.55 8.28 8.07 2ze9A1 THR 295 HA 0.01 0.18 0.37 -0.75 4.39 4.19 2ze9A1 THR 295 HB 0.02 -0.04 0.10 -0.04 4.32 4.36 2ze9A1 THR 295 HG23 0.01 0.01 -0.09 -0.04 1.22 1.10 2ze9A1 LYS 296 H 0.02 -0.06 -0.12 -0.55 8.42 7.71 2ze9A1 LYS 296 HA 0.01 0.17 0.58 -0.75 4.32 4.33 2ze9A1 LYS 296 HB2 0.04 -0.10 0.10 -0.04 1.87 1.87 2ze9A1 LYS 296 HB3 0.02 0.07 -0.09 -0.04 1.79 1.75 2ze9A1 LYS 296 HG2 0.02 -0.00 0.01 -0.04 1.46 1.44 2ze9A1 LYS 296 HG3 0.01 0.06 0.04 -0.04 1.46 1.53 2ze9A1 LYS 296 HD2 0.02 -0.10 -0.20 -0.04 1.69 1.37 2ze9A1 LYS 296 HD3 0.01 -0.01 -0.03 -0.04 1.68 1.61 2ze9A1 LYS 296 HE2 0.01 0.01 -0.02 -0.04 2.99 2.94 2ze9A1 LYS 296 HE3 0.01 0.06 -0.07 -0.04 2.99 2.94 2ze9A1 CYS 297 H -0.01 0.05 -0.25 -0.55 8.50 7.75 2ze9A1 CYS 297 HA -0.01 0.19 0.72 -0.75 4.58 4.72 2ze9A1 CYS 297 HB2 -0.01 0.10 -0.33 -0.04 2.97 2.69 2ze9A1 CYS 297 HB3 -0.03 -0.15 0.00 -0.04 2.97 2.75 2ze9A1 THR 298 H -0.01 0.24 0.00 -0.55 8.28 7.97 2ze9A1 THR 298 HA -0.03 0.10 1.01 -0.75 4.39 4.72 2ze9A1 THR 298 HB -0.01 -0.01 0.10 -0.04 4.32 4.36 2ze9A1 THR 298 HG23 -0.01 0.02 -0.08 -0.04 1.22 1.12 2ze9A1 VAL 299 H -0.03 0.10 0.03 -0.55 8.24 7.79 2ze9A1 VAL 299 HA 0.00 -0.01 0.21 -0.75 4.13 3.59 2ze9A1 VAL 299 HB -0.02 -0.08 -0.10 -0.04 2.12 1.88 2ze9A1 VAL 299 HG13 0.01 0.03 -0.05 -0.04 0.97 0.92 2ze9A1 VAL 299 HG23 0.05 -0.05 -0.27 -0.04 0.95 0.65 2ze9A1 GLY 300 H 0.03 0.03 0.15 -0.55 8.43 8.10 2ze9A1 GLY 300 HA2 0.02 0.14 0.60 -0.51 4.01 4.26 2ze9A1 GLY 300 HA3 0.03 -0.01 0.32 -0.51 4.01 3.84 2ze9A1 LEU 301 H 0.08 0.05 0.08 -0.55 8.37 8.04 2ze9A1 LEU 301 HA 0.09 0.03 0.56 -0.75 4.35 4.28 2ze9A1 LEU 301 HB2 0.28 0.06 0.08 -0.04 1.64 2.02 2ze9A1 LEU 301 HB3 0.23 0.08 0.05 -0.04 1.64 1.96 2ze9A1 LEU 301 HG 0.13 -0.06 0.14 -0.04 1.64 1.81 2ze9A1 LEU 301 HD13 0.31 0.02 0.05 -0.04 0.93 1.26 2ze9A1 LEU 301 HD23 0.11 -0.01 0.05 -0.04 0.89 1.00 2ze9A1 HIS 302 H 0.11 0.10 0.12 -0.55 8.41 8.20 2ze9A1 HIS 302 HA -0.06 0.06 0.54 -0.75 4.63 4.41 2ze9A1 HIS 302 HB2 -0.07 0.05 0.12 -0.04 3.26 3.31 2ze9A1 HIS 302 HB3 -0.15 -0.03 0.10 -0.04 3.20 3.08 2ze9A1 HIS 302 HD2 -0.34 -0.04 -0.21 -0.04 6.97 6.34 2ze9A1 HIS 302 HE1 -0.08 0.11 -0.04 -0.04 7.75 7.70 2ze9A1 ASP 303 H -0.41 0.19 0.09 -0.55 8.40 7.72 2ze9A1 ASP 303 HA -0.09 0.11 0.52 -0.75 4.63 4.42 2ze9A1 ASP 303 HB2 -0.06 0.19 0.06 -0.04 2.71 2.86 2ze9A1 ASP 303 HB3 -0.17 0.03 0.18 -0.04 2.70 2.69 2ze9A1 ASN 304 H -1.17 0.39 0.14 -0.55 8.53 7.35 2ze9A1 ASN 304 HA -0.61 0.06 0.31 -0.75 4.76 3.76 2ze9A1 ASN 304 HB2 -2.91 0.01 0.01 -0.04 2.88 -0.05 2ze9A1 ASN 304 HB3 -2.17 0.04 -0.04 -0.04 2.79 0.58 2ze9A1 ASN 304 HD21 -0.17 0.02 -0.06 -0.04 7.03 6.78 2ze9A1 ASN 304 HD22 -0.31 -0.07 -0.03 -0.04 7.74 7.29 2ze9A1 THR 305 H 0.01 0.05 -0.24 -0.55 8.28 7.55 2ze9A1 THR 305 HA 0.05 0.17 0.48 -0.75 4.39 4.35 2ze9A1 THR 305 HB 0.14 -0.03 0.03 -0.04 4.32 4.42 2ze9A1 THR 305 HG23 0.11 0.00 -0.09 -0.04 1.22 1.20 2ze9A1 ASN 306 H -0.06 0.04 -0.15 -0.55 8.53 7.82 2ze9A1 ASN 306 HA 0.01 0.18 0.73 -0.75 4.76 4.92 2ze9A1 ASN 306 HB2 -0.05 0.04 0.00 -0.04 2.88 2.84 2ze9A1 ASN 306 HB3 -0.03 0.05 0.01 -0.04 2.79 2.78 2ze9A1 ASN 306 HD21 -0.06 0.36 0.16 -0.04 7.03 7.45 2ze9A1 ASN 306 HD22 -0.05 0.00 0.04 -0.04 7.74 7.69 2ze9A1 ALA 307 H -0.15 0.38 0.02 -0.55 8.40 8.10 2ze9A1 ALA 307 HA -0.05 0.26 0.92 -0.75 4.34 4.72 2ze9A1 ALA 307 HB3 -0.11 0.01 0.04 -0.04 1.41 1.31 2ze9A1 ASP 308 H -0.05 0.19 -0.25 -0.55 8.40 7.75 2ze9A1 ASP 308 HA 0.04 0.16 0.87 -0.75 4.63 4.95 2ze9A1 ASP 308 HB2 -0.06 0.06 -0.33 -0.04 2.71 2.34 2ze9A1 ASP 308 HB3 -0.09 0.09 0.14 -0.04 2.70 2.80 2ze9A1 ARG 309 H 0.04 0.24 0.06 -0.55 8.46 8.24 2ze9A1 ARG 309 HA 0.14 0.07 0.33 -0.75 4.34 4.13 2ze9A1 ARG 309 HB2 -0.01 0.05 0.06 -0.04 1.90 1.96 2ze9A1 ARG 309 HB3 0.03 -0.03 0.11 -0.04 1.80 1.87 2ze9A1 ARG 309 HG2 0.09 -0.05 -0.03 -0.04 1.67 1.64 2ze9A1 ARG 309 HG3 -0.06 0.10 0.00 -0.04 1.67 1.67 2ze9A1 ARG 309 HD2 0.04 -0.05 -0.08 -0.04 3.22 3.08 2ze9A1 ARG 309 HD3 0.09 -0.08 -0.59 -0.04 3.22 2.60 2ze9A1 ASP 310 H 0.07 0.07 -0.08 -0.55 8.40 7.91 2ze9A1 ASP 310 HA 0.07 0.08 0.48 -0.75 4.63 4.51 2ze9A1 ASP 310 HB2 0.04 -0.09 0.08 -0.04 2.71 2.70 2ze9A1 ASP 310 HB3 0.03 0.36 0.06 -0.04 2.70 3.11 2ze9A1 TYR 311 H 0.15 0.05 -0.26 -0.55 8.29 7.68 2ze9A1 TYR 311 HA -0.05 0.10 0.36 -0.75 4.56 4.21 2ze9A1 TYR 311 HB2 -0.12 -0.08 0.09 -0.04 3.06 2.91 2ze9A1 TYR 311 HB3 -0.09 0.23 0.17 -0.04 2.98 3.25 2ze9A1 TYR 311 HD2 -0.12 0.06 -0.09 -0.04 7.15 6.97 2ze9A1 TYR 311 HE2 -0.00 -0.03 -0.16 -0.04 6.85 6.62 2ze9A1 ASP 312 H 0.18 0.37 -0.09 -0.55 8.40 8.30 2ze9A1 ASP 312 HA -0.04 0.01 0.40 -0.75 4.63 4.25 2ze9A1 ASP 312 HB2 0.25 0.18 0.14 -0.04 2.71 3.23 2ze9A1 ASP 312 HB3 -0.09 -0.03 -0.08 -0.04 2.70 2.46 2ze9A1 THR 313 H 0.03 0.39 -0.23 -0.55 8.28 7.92 2ze9A1 THR 313 HA -0.11 0.13 0.31 -0.75 4.39 3.97 2ze9A1 THR 313 HB 0.02 -0.05 0.28 -0.04 4.32 4.53 2ze9A1 THR 313 HG23 0.13 0.11 0.16 -0.04 1.22 1.58 2ze9A1 VAL 314 H -0.11 0.43 -0.26 -0.55 8.24 7.75 2ze9A1 VAL 314 HA -0.03 0.17 0.95 -0.75 4.13 4.46 2ze9A1 VAL 314 HB -0.07 -0.11 0.06 -0.04 2.12 1.96 2ze9A1 VAL 314 HG13 -0.02 -0.05 -0.47 -0.04 0.97 0.39 2ze9A1 VAL 314 HG23 -0.13 0.10 -0.10 -0.04 0.95 0.78 2ze9A1 ASN 315 H -0.21 0.43 -0.37 -0.55 8.53 7.84 2ze9A1 ASN 315 HA -0.15 -0.02 0.98 -0.75 4.76 4.81 2ze9A1 ASN 315 HB2 -0.73 0.23 0.09 -0.04 2.88 2.42 2ze9A1 ASN 315 HB3 -0.32 -0.15 0.20 -0.04 2.79 2.48 2ze9A1 ASN 315 HD21 -0.56 0.34 -0.03 -0.04 7.03 6.74 2ze9A1 ASN 315 HD22 -1.17 0.26 -0.05 -0.04 7.74 6.75 2ze9A1 PRO 316 HA -0.19 0.08 0.39 -0.51 4.44 4.21 2ze9A1 PRO 316 HB2 -0.22 -0.04 -0.08 -0.04 2.28 1.89 2ze9A1 PRO 316 HB3 -0.17 0.07 0.04 -0.04 2.02 1.93 2ze9A1 PRO 316 HG2 0.06 0.22 0.03 -0.04 2.03 2.29 2ze9A1 PRO 316 HG3 0.23 -0.00 -0.12 -0.04 2.03 2.10 2ze9A1 PRO 316 HD2 -0.00 0.14 -0.13 -0.04 3.68 3.65 2ze9A1 PRO 316 HD3 -0.01 0.19 -0.26 -0.04 3.65 3.53 2ze9A1 GLU 317 H -0.08 0.37 -0.39 -0.55 8.60 7.95 2ze9A1 GLU 317 HA -0.13 0.02 0.34 -0.75 4.29 3.76 2ze9A1 GLU 317 HB2 -0.13 -0.01 -0.18 -0.04 2.09 1.73 2ze9A1 GLU 317 HB3 -0.08 0.04 -0.33 -0.04 1.99 1.57 2ze9A1 GLU 317 HG2 -0.07 0.04 -0.31 -0.04 2.34 1.97 2ze9A1 GLU 317 HG3 -0.07 0.05 -0.21 -0.04 2.34 2.07 2ze9A1 GLU 318 H -0.09 0.47 -0.23 -0.55 8.60 8.20 2ze9A1 GLU 318 HA -0.07 0.09 0.35 -0.75 4.29 3.91 2ze9A1 GLU 318 HB2 0.01 0.18 0.16 -0.04 2.09 2.40 2ze9A1 GLU 318 HB3 0.03 -0.02 -0.01 -0.04 1.99 1.94 2ze9A1 GLU 318 HG2 0.16 -0.01 0.01 -0.04 2.34 2.46 2ze9A1 GLU 318 HG3 0.04 0.02 -0.01 -0.04 2.34 2.35 2ze9A1 ASN 319 H -0.11 0.25 -0.08 -0.55 8.53 8.05 2ze9A1 ASN 319 HA -0.07 0.01 0.38 -0.75 4.76 4.31 2ze9A1 ASN 319 HB2 -0.20 0.10 0.03 -0.04 2.88 2.77 2ze9A1 ASN 319 HB3 -0.17 -0.02 -0.11 -0.04 2.79 2.46 2ze9A1 ASN 319 HD21 -0.13 0.00 -0.05 -0.04 7.03 6.81 2ze9A1 ASN 319 HD22 -0.41 0.05 -0.06 -0.04 7.74 7.27 2ze9A1 ALA 320 H -0.17 0.52 -0.37 -0.55 8.40 7.83 2ze9A1 ALA 320 HA -0.17 0.04 0.43 -0.75 4.34 3.88 2ze9A1 ALA 320 HB3 -0.18 0.02 -0.05 -0.04 1.41 1.16 2ze9A1 LEU 321 H -0.17 0.52 -0.26 -0.55 8.37 7.91 2ze9A1 LEU 321 HA -0.19 0.02 0.48 -0.75 4.35 3.91 2ze9A1 LEU 321 HB2 -0.18 0.18 0.10 -0.04 1.64 1.71 2ze9A1 LEU 321 HB3 -0.19 -0.05 -0.07 -0.04 1.64 1.30 2ze9A1 LEU 321 HG -0.43 0.05 -0.06 -0.04 1.64 1.16 2ze9A1 LEU 321 HD13 -0.40 -0.01 -0.21 -0.04 0.93 0.27 2ze9A1 LEU 321 HD23 -0.72 -0.02 -0.11 -0.04 0.89 -0.01 2ze9A1 ARG 322 H -0.09 0.40 -0.13 -0.55 8.46 8.09 2ze9A1 ARG 322 HA -0.05 0.05 0.45 -0.75 4.34 4.04 2ze9A1 ARG 322 HB2 -0.05 0.05 0.10 -0.04 1.90 1.97 2ze9A1 ARG 322 HB3 -0.02 0.01 -0.07 -0.04 1.80 1.68 2ze9A1 ARG 322 HG2 -0.01 -0.07 -0.09 -0.04 1.67 1.46 2ze9A1 ARG 322 HG3 -0.04 0.25 -0.02 -0.04 1.67 1.83 2ze9A1 ARG 322 HD2 0.01 0.02 -0.13 -0.04 3.22 3.08 2ze9A1 ARG 322 HD3 0.02 -0.05 -0.17 -0.04 3.22 2.98 2ze9A1 SER 323 H -0.08 0.63 -0.14 -0.55 8.46 8.33 2ze9A1 SER 323 HA -0.04 0.07 0.52 -0.75 4.49 4.28 2ze9A1 SER 323 HB2 -0.07 -0.01 -0.12 -0.04 3.95 3.72 2ze9A1 SER 323 HB3 -0.07 -0.03 0.03 -0.04 3.93 3.83 2ze9A1 LEU 324 H -0.07 0.37 -0.41 -0.55 8.37 7.70 2ze9A1 LEU 324 HA -0.02 0.02 0.45 -0.75 4.35 4.04 2ze9A1 LEU 324 HB2 -0.05 0.01 0.00 -0.04 1.64 1.57 2ze9A1 LEU 324 HB3 -0.07 0.10 0.08 -0.04 1.64 1.71 2ze9A1 LEU 324 HG -0.03 0.03 -0.37 -0.04 1.64 1.23 2ze9A1 LEU 324 HD13 -0.03 -0.00 -0.21 -0.04 0.93 0.64 2ze9A1 LEU 324 HD23 0.02 -0.00 -0.15 -0.04 0.89 0.71 2ze9A1 ILE 325 H -0.05 0.42 -0.26 -0.55 8.25 7.81 2ze9A1 ILE 325 HA -0.04 0.00 0.27 -0.75 4.18 3.66 2ze9A1 ILE 325 HB -0.05 0.09 0.14 -0.04 1.89 2.03 2ze9A1 ILE 325 HG12 -0.05 -0.05 -0.04 -0.04 1.49 1.30 2ze9A1 ILE 325 HG13 -0.06 0.04 0.01 -0.04 1.21 1.15 2ze9A1 ILE 325 HG23 -0.05 -0.00 -0.22 -0.04 0.93 0.62 2ze9A1 ILE 325 HD13 -0.07 -0.02 -0.06 -0.04 0.88 0.69 2ze9A1 ALA 326 H -0.03 0.54 -0.12 -0.55 8.40 8.24 2ze9A1 ALA 326 HA -0.02 0.08 0.33 -0.75 4.34 3.98 2ze9A1 ALA 326 HB3 -0.02 -0.02 0.04 -0.04 1.41 1.37 2ze9A1 SER 327 H -0.00 0.32 -0.59 -0.55 8.46 7.65 2ze9A1 SER 327 HA -0.02 0.08 0.51 -0.75 4.49 4.31 2ze9A1 SER 327 HB2 -0.03 -0.13 0.09 -0.04 3.95 3.84 2ze9A1 SER 327 HB3 -0.00 0.13 0.10 -0.04 3.93 4.11 2ze9A1 ALA 328 H 0.01 0.49 -0.54 -0.55 8.40 7.82 2ze9A1 ALA 328 HA 0.06 -0.16 0.40 -0.75 4.34 3.89 2ze9A1 ALA 328 HB3 -0.03 0.00 -0.03 -0.04 1.41 1.31 2ze9A1 ARG 329 H 0.06 -0.05 0.24 -0.55 8.46 8.16 2ze9A1 ARG 329 HA 0.01 0.30 0.83 -0.75 4.34 4.72 2ze9A1 ARG 329 HB2 0.02 -0.08 0.10 -0.04 1.90 1.90 2ze9A1 ARG 329 HB3 0.01 -0.01 0.08 -0.04 1.80 1.84 2ze9A1 ARG 329 HG2 -0.02 0.02 -0.02 -0.04 1.67 1.61 2ze9A1 ARG 329 HG3 -0.02 0.14 -0.40 -0.04 1.67 1.34 2ze9A1 ARG 329 HD2 -0.07 0.02 -0.06 -0.04 3.22 3.06 2ze9A1 ARG 329 HD3 -0.08 -0.06 -0.02 -0.04 3.22 3.02 2ze9A1 SER 330 H 0.02 -0.18 0.15 -0.55 8.46 7.90 2ze9A1 SER 330 HA 0.05 0.32 0.98 -0.75 4.49 5.09 2ze9A1 SER 330 HB2 0.08 0.04 -0.04 -0.04 3.95 3.99 2ze9A1 SER 330 HB3 0.14 -0.14 0.18 -0.04 3.93 4.07 2ze9A1 HIS 331 H -0.10 -0.00 0.28 -0.55 8.41 8.04 2ze9A1 HIS 331 HA -0.04 0.35 0.69 -0.75 4.63 4.87 2ze9A1 HIS 331 HB2 -0.07 0.11 0.06 -0.04 3.26 3.32 2ze9A1 HIS 331 HB3 -0.05 0.15 -0.07 -0.04 3.20 3.19 2ze9A1 HIS 331 HD2 -0.02 0.00 -0.08 -0.04 6.97 6.83 2ze9A1 HIS 331 HE1 -0.03 -0.02 -0.12 -0.04 7.75 7.53 2ze9A1 VAL 332 H 0.00 0.78 0.36 -0.55 8.24 8.83 2ze9A1 VAL 332 HA -0.11 0.21 1.06 -0.75 4.13 4.54 2ze9A1 VAL 332 HB -0.06 0.02 0.05 -0.04 2.12 2.08 2ze9A1 VAL 332 HG13 -0.04 -0.01 0.03 -0.04 0.97 0.91 2ze9A1 VAL 332 HG23 -0.04 -0.02 -0.19 -0.04 0.95 0.66 2ze9A1 GLU 333 H -0.02 0.51 0.33 -0.55 8.60 8.88 2ze9A1 GLU 333 HA -0.04 0.22 0.97 -0.75 4.29 4.68 2ze9A1 GLU 333 HB2 0.02 -0.12 0.12 -0.04 2.09 2.07 2ze9A1 GLU 333 HB3 0.02 0.04 -0.05 -0.04 1.99 1.96 2ze9A1 GLU 333 HG2 0.00 -0.05 -0.07 -0.04 2.34 2.18 2ze9A1 GLU 333 HG3 -0.07 0.09 -0.04 -0.04 2.34 2.29 2ze9A1 ILE 334 H -0.02 1.10 0.37 -0.55 8.25 9.16 2ze9A1 ILE 334 HA 0.03 0.22 0.92 -0.75 4.18 4.60 2ze9A1 ILE 334 HB -0.02 0.04 0.27 -0.04 1.89 2.14 2ze9A1 ILE 334 HG12 -0.03 0.00 0.02 -0.04 1.49 1.45 2ze9A1 ILE 334 HG13 -0.03 -0.05 -0.27 -0.04 1.21 0.82 2ze9A1 ILE 334 HG23 0.01 -0.01 -0.15 -0.04 0.93 0.74 2ze9A1 ILE 334 HD13 -0.07 -0.00 -0.08 -0.04 0.88 0.69 2ze9A1 SER 335 H 0.10 0.55 0.11 -0.55 8.46 8.68 2ze9A1 SER 335 HA 0.14 0.31 0.92 -0.75 4.49 5.11 2ze9A1 SER 335 HB2 0.24 -0.02 -0.13 -0.04 3.95 3.99 2ze9A1 SER 335 HB3 0.34 -0.09 0.06 -0.04 3.93 4.21 2ze9A1 GLN 336 H 0.09 0.71 0.22 -0.55 8.47 8.95 2ze9A1 GLN 336 HA 0.09 0.34 0.73 -0.75 4.36 4.76 2ze9A1 GLN 336 HB2 0.08 -0.01 -0.24 -0.04 2.15 1.94 2ze9A1 GLN 336 HB3 0.10 0.01 -0.03 -0.04 2.02 2.05 2ze9A1 GLN 336 HG2 0.06 -0.07 -0.55 -0.04 2.40 1.80 2ze9A1 GLN 336 HG3 0.04 -0.02 -0.17 -0.04 2.39 2.20 2ze9A1 GLN 336 HE21 0.03 0.01 -0.21 -0.04 6.97 6.75 2ze9A1 GLN 336 HE22 0.05 0.21 -0.15 -0.04 7.69 7.76 2ze9A1 GLN 337 H 0.08 0.37 0.12 -0.55 8.47 8.49 2ze9A1 GLN 337 HA 0.10 0.13 0.78 -0.75 4.36 4.61 2ze9A1 GLN 337 HB2 0.17 0.06 0.29 -0.04 2.15 2.63 2ze9A1 GLN 337 HB3 0.21 -0.09 0.16 -0.04 2.02 2.25 2ze9A1 GLN 337 HG2 0.12 -0.13 -0.28 -0.04 2.40 2.07 2ze9A1 GLN 337 HG3 0.27 0.23 0.18 -0.04 2.39 3.03 2ze9A1 GLN 337 HE21 -0.03 0.04 -0.11 -0.04 6.97 6.83 2ze9A1 GLN 337 HE22 -0.05 -0.14 -0.28 -0.04 7.69 7.18 2ze9A1 ASP 338 H 0.20 0.23 0.01 -0.55 8.40 8.29 2ze9A1 ASP 338 HA 0.07 0.10 0.70 -0.75 4.63 4.75 2ze9A1 ASP 338 HB2 -0.17 -0.01 -0.10 -0.04 2.71 2.38 2ze9A1 ASP 338 HB3 -0.13 0.16 -0.04 -0.04 2.70 2.65 2ze9A1 LEU 339 H 0.10 0.11 0.09 -0.55 8.37 8.13 2ze9A1 LEU 339 HA 0.16 0.12 0.54 -0.75 4.35 4.43 2ze9A1 LEU 339 HB2 0.09 -0.03 0.00 -0.04 1.64 1.67 2ze9A1 LEU 339 HB3 0.18 0.02 -0.16 -0.04 1.64 1.65 2ze9A1 LEU 339 HG -0.05 0.02 -0.04 -0.04 1.64 1.52 2ze9A1 LEU 339 HD13 0.02 0.02 -0.21 -0.04 0.93 0.71 2ze9A1 LEU 339 HD23 -0.27 0.00 -0.09 -0.04 0.89 0.50 2ze9A1 ASN 340 H 0.10 -0.02 0.11 -0.55 8.53 8.17 2ze9A1 ASN 340 HA 0.20 0.33 1.08 -0.75 4.76 5.62 2ze9A1 ASN 340 HB2 0.05 -0.11 0.03 -0.04 2.88 2.82 2ze9A1 ASN 340 HB3 0.08 0.15 0.11 -0.04 2.79 3.09 2ze9A1 ASN 340 HD21 -0.00 0.19 -0.09 -0.04 7.03 7.08 2ze9A1 ASN 340 HD22 0.06 -0.03 -0.04 -0.04 7.74 7.69 2ze9A1 ALA 341 H 0.05 0.56 0.20 -0.55 8.40 8.67 2ze9A1 ALA 341 HA -0.24 0.08 0.59 -0.75 4.34 4.02 2ze9A1 ALA 341 HB3 0.00 0.05 -0.07 -0.04 1.41 1.35 2ze9A1 THR 342 H -0.11 0.14 0.03 -0.55 8.28 7.79 2ze9A1 THR 342 HA -0.06 0.18 0.78 -0.75 4.39 4.54 2ze9A1 THR 342 HB -0.05 -0.05 0.13 -0.04 4.32 4.31 2ze9A1 THR 342 HG23 -0.03 0.05 -0.13 -0.04 1.22 1.08 2ze9A1 CYS 343 H -0.03 0.22 0.07 -0.55 8.50 8.21 2ze9A1 CYS 343 HA -0.04 0.02 0.60 -0.75 4.58 4.40 2ze9A1 CYS 343 HB2 -0.05 -0.01 -0.23 -0.04 2.97 2.64 2ze9A1 CYS 343 HB3 -0.02 -0.04 0.07 -0.04 2.97 2.93 2ze9A1 PRO 344 HA -0.02 0.08 0.22 -0.51 4.44 4.21 2ze9A1 PRO 344 HB2 0.01 0.04 0.05 -0.04 2.28 2.34 2ze9A1 PRO 344 HB3 0.00 -0.05 0.07 -0.04 2.02 2.00 2ze9A1 PRO 344 HG2 0.00 0.05 -0.01 -0.04 2.03 2.03 2ze9A1 PRO 344 HG3 0.00 0.04 0.05 -0.04 2.03 2.08 2ze9A1 PRO 344 HD2 -0.01 0.12 0.38 -0.04 3.68 4.13 2ze9A1 PRO 344 HD3 -0.01 0.07 0.05 -0.04 3.65 3.73 2ze9A1 PRO 345 HA 0.01 -0.06 0.34 -0.51 4.44 4.22 2ze9A1 PRO 345 HB2 0.03 0.03 0.07 -0.04 2.28 2.36 2ze9A1 PRO 345 HB3 0.03 0.03 0.09 -0.04 2.02 2.12 2ze9A1 PRO 345 HG2 -0.07 0.03 0.02 -0.04 2.03 1.96 2ze9A1 PRO 345 HG3 0.01 0.03 0.08 -0.04 2.03 2.10 2ze9A1 PRO 345 HD2 -0.05 0.22 0.21 -0.04 3.68 4.02 2ze9A1 PRO 345 HD3 -0.01 0.10 0.36 -0.04 3.65 4.07 2ze9A1 LEU 346 H -0.11 0.58 0.03 -0.55 8.37 8.32 2ze9A1 LEU 346 HA -0.25 0.14 0.71 -0.75 4.35 4.20 2ze9A1 LEU 346 HB2 -0.21 0.07 -0.09 -0.04 1.64 1.38 2ze9A1 LEU 346 HB3 -0.28 0.13 -0.19 -0.04 1.64 1.26 2ze9A1 LEU 346 HG -0.42 0.16 -0.08 -0.04 1.64 1.26 2ze9A1 LEU 346 HD13 -1.77 -0.04 -0.17 -0.04 0.93 -1.09 2ze9A1 LEU 346 HD23 -0.39 -0.00 -0.10 -0.04 0.89 0.35 2ze9A1 PRO 347 HA -0.07 0.03 0.48 -0.51 4.44 4.36 2ze9A1 PRO 347 HB2 -0.08 0.13 -0.01 -0.04 2.28 2.27 2ze9A1 PRO 347 HB3 -0.04 0.03 0.12 -0.04 2.02 2.09 2ze9A1 PRO 347 HG2 0.04 0.04 0.01 -0.04 2.03 2.07 2ze9A1 PRO 347 HG3 0.22 -0.12 0.05 -0.04 2.03 2.13 2ze9A1 PRO 347 HD2 -0.18 0.12 0.15 -0.04 3.68 3.72 2ze9A1 PRO 347 HD3 0.24 0.17 0.11 -0.04 3.65 4.13 2ze9A1 ARG 348 H -0.17 0.11 0.15 -0.55 8.46 8.01 2ze9A1 ARG 348 HA -0.02 0.17 0.16 -0.75 4.34 3.90 2ze9A1 ARG 348 HB2 -0.04 -0.00 0.13 -0.04 1.90 1.95 2ze9A1 ARG 348 HB3 0.03 -0.03 0.08 -0.04 1.80 1.83 2ze9A1 ARG 348 HG2 0.12 -0.05 0.07 -0.04 1.67 1.77 2ze9A1 ARG 348 HG3 0.02 0.17 0.11 -0.04 1.67 1.93 2ze9A1 ARG 348 HD2 0.04 0.01 0.04 -0.04 3.22 3.27 2ze9A1 ARG 348 HD3 0.02 0.05 -0.00 -0.04 3.22 3.25 2ze9A1 TYR 349 H -0.33 0.16 -0.19 -0.55 8.29 7.39 2ze9A1 TYR 349 HA 0.09 0.24 0.74 -0.75 4.56 4.88 2ze9A1 TYR 349 HB2 0.13 0.01 0.04 -0.04 3.06 3.20 2ze9A1 TYR 349 HB3 -0.01 0.12 -0.15 -0.04 2.98 2.91 2ze9A1 TYR 349 HD2 -0.11 0.01 -0.43 -0.04 7.15 6.58 2ze9A1 TYR 349 HE2 -0.13 -0.02 -0.07 -0.04 6.85 6.59 2ze9A1 ASP 350 H 0.36 0.33 0.11 -0.55 8.40 8.66 2ze9A1 ASP 350 HA 0.11 0.06 0.62 -0.75 4.63 4.67 2ze9A1 ASP 350 HB2 0.12 0.17 0.04 -0.04 2.71 3.01 2ze9A1 ASP 350 HB3 0.17 0.02 0.20 -0.04 2.70 3.05 2ze9A1 ILE 351 H 0.09 0.22 0.09 -0.55 8.25 8.10 2ze9A1 ILE 351 HA 0.34 0.09 0.20 -0.75 4.18 4.06 2ze9A1 ILE 351 HB 0.06 -0.00 0.14 -0.04 1.89 2.05 2ze9A1 ILE 351 HG12 0.07 0.06 -0.01 -0.04 1.49 1.58 2ze9A1 ILE 351 HG13 -0.07 -0.01 0.04 -0.04 1.21 1.12 2ze9A1 ILE 351 HG23 0.10 -0.01 -0.06 -0.04 0.93 0.92 2ze9A1 ILE 351 HD13 -0.04 -0.01 -0.05 -0.04 0.88 0.74 2ze9A1 ARG 352 H 0.09 0.13 -0.07 -0.55 8.46 8.06 2ze9A1 ARG 352 HA 0.07 0.10 0.42 -0.75 4.34 4.17 2ze9A1 ARG 352 HB2 0.06 -0.01 0.03 -0.04 1.90 1.94 2ze9A1 ARG 352 HB3 0.05 0.06 -0.06 -0.04 1.80 1.81 2ze9A1 ARG 352 HG2 0.04 0.06 0.04 -0.04 1.67 1.77 2ze9A1 ARG 352 HG3 0.05 -0.07 0.08 -0.04 1.67 1.69 2ze9A1 ARG 352 HD2 0.06 0.00 -0.03 -0.04 3.22 3.21 2ze9A1 ARG 352 HD3 0.05 0.09 0.00 -0.04 3.22 3.32 2ze9A1 THR 353 H 0.11 0.10 -0.30 -0.55 8.28 7.65 2ze9A1 THR 353 HA 0.01 0.10 0.51 -0.75 4.39 4.25 2ze9A1 THR 353 HB 0.10 0.07 0.11 -0.04 4.32 4.56 2ze9A1 THR 353 HG23 -0.09 0.01 -0.13 -0.04 1.22 0.98 2ze9A1 TYR 354 H 0.28 0.49 -0.12 -0.55 8.29 8.40 2ze9A1 TYR 354 HA -0.02 0.05 0.50 -0.75 4.56 4.34 2ze9A1 TYR 354 HB2 0.06 0.11 0.09 -0.04 3.06 3.28 2ze9A1 TYR 354 HB3 -0.06 0.01 -0.13 -0.04 2.98 2.77 2ze9A1 TYR 354 HD2 -0.02 0.04 -0.11 -0.04 7.15 7.02 2ze9A1 TYR 354 HE2 -0.05 0.13 -0.02 -0.04 6.85 6.87 2ze9A1 ASP 355 H 0.14 0.61 0.03 -0.55 8.40 8.63 2ze9A1 ASP 355 HA 0.06 0.05 0.55 -0.75 4.63 4.54 2ze9A1 ASP 355 HB2 0.06 -0.00 0.16 -0.04 2.71 2.88 2ze9A1 ASP 355 HB3 0.04 0.03 -0.08 -0.04 2.70 2.64 2ze9A1 THR 356 H 0.03 0.56 -0.24 -0.55 8.28 8.09 2ze9A1 THR 356 HA 0.00 0.03 0.38 -0.75 4.39 4.05 2ze9A1 THR 356 HB -0.02 0.09 0.20 -0.04 4.32 4.55 2ze9A1 THR 356 HG23 -0.02 0.03 -0.05 -0.04 1.22 1.14 2ze9A1 LEU 357 H -0.03 0.31 -0.31 -0.55 8.37 7.79 2ze9A1 LEU 357 HA -0.05 0.08 0.29 -0.75 4.35 3.92 2ze9A1 LEU 357 HB2 -0.14 0.03 0.06 -0.04 1.64 1.55 2ze9A1 LEU 357 HB3 -0.10 -0.02 -0.03 -0.04 1.64 1.46 2ze9A1 LEU 357 HG -0.11 0.17 0.03 -0.04 1.64 1.68 2ze9A1 LEU 357 HD13 -0.32 -0.04 -0.10 -0.04 0.93 0.43 2ze9A1 LEU 357 HD23 -0.09 -0.00 -0.08 -0.04 0.89 0.67 2ze9A1 ALA 358 H 0.01 0.46 -0.16 -0.55 8.40 8.16 2ze9A1 ALA 358 HA 0.00 0.01 0.45 -0.75 4.34 4.05 2ze9A1 ALA 358 HB3 0.03 0.02 -0.01 -0.04 1.41 1.41 2ze9A1 GLY 359 H 0.00 0.55 -0.27 -0.55 8.43 8.17 2ze9A1 GLY 359 HA2 0.00 -0.01 0.42 -0.51 4.01 3.91 2ze9A1 GLY 359 HA3 -0.00 0.08 0.26 -0.51 4.01 3.83 2ze9A1 LYS 360 H -0.01 0.29 -0.36 -0.55 8.42 7.78 2ze9A1 LYS 360 HA -0.01 0.05 0.29 -0.75 4.32 3.89 2ze9A1 LYS 360 HB2 -0.03 0.06 0.06 -0.04 1.87 1.92 2ze9A1 LYS 360 HB3 -0.02 -0.02 -0.16 -0.04 1.79 1.55 2ze9A1 LYS 360 HG2 -0.02 0.16 0.01 -0.04 1.46 1.57 2ze9A1 LYS 360 HG3 -0.03 -0.06 -0.11 -0.04 1.46 1.22 2ze9A1 LYS 360 HD2 -0.01 -0.01 -0.09 -0.04 1.69 1.54 2ze9A1 LYS 360 HD3 -0.01 -0.06 -0.07 -0.04 1.68 1.50 2ze9A1 LYS 360 HE2 -0.01 -0.11 -0.04 -0.04 2.99 2.79 2ze9A1 LYS 360 HE3 -0.02 0.01 0.01 -0.04 2.99 2.95 2ze9A1 LEU 361 H -0.02 0.44 -0.14 -0.55 8.37 8.12 2ze9A1 LEU 361 HA -0.02 0.22 0.41 -0.75 4.35 4.21 2ze9A1 LEU 361 HB2 -0.01 -0.01 0.11 -0.04 1.64 1.69 2ze9A1 LEU 361 HB3 -0.01 -0.04 -0.25 -0.04 1.64 1.31 2ze9A1 LEU 361 HG -0.03 0.15 -0.01 -0.04 1.64 1.72 2ze9A1 LEU 361 HD13 -0.01 -0.06 -0.13 -0.04 0.93 0.69 2ze9A1 LEU 361 HD23 -0.03 0.04 -0.14 -0.04 0.89 0.73 2ze9A1 ALA 362 H -0.00 0.61 -0.13 -0.55 8.40 8.32 2ze9A1 ALA 362 HA -0.00 -0.05 0.40 -0.75 4.34 3.94 2ze9A1 ALA 362 HB3 -0.00 -0.01 0.07 -0.04 1.41 1.43 2ze9A1 ALA 363 H -0.01 0.48 -0.32 -0.55 8.40 8.01 2ze9A1 ALA 363 HA -0.00 0.03 0.41 -0.75 4.34 4.02 2ze9A1 ALA 363 HB3 -0.00 -0.02 0.10 -0.04 1.41 1.44 2ze9A1 GLY 364 H -0.01 0.39 -0.68 -0.55 8.43 7.59 2ze9A1 GLY 364 HA2 -0.01 0.04 0.25 -0.51 4.01 3.78 2ze9A1 GLY 364 HA3 -0.00 -0.02 0.51 -0.51 4.01 3.99 2ze9A1 VAL 365 H -0.01 0.36 -0.23 -0.55 8.24 7.81 2ze9A1 VAL 365 HA 0.01 0.14 0.52 -0.75 4.13 4.05 2ze9A1 VAL 365 HB -0.01 -0.02 -0.08 -0.04 2.12 1.96 2ze9A1 VAL 365 HG13 -0.00 -0.03 -0.57 -0.04 0.97 0.32 2ze9A1 VAL 365 HG23 0.00 0.06 -0.24 -0.04 0.95 0.73 2ze9A1 LYS 366 H 0.02 0.41 0.29 -0.55 8.42 8.58 2ze9A1 LYS 366 HA -0.04 0.26 0.59 -0.75 4.32 4.38 2ze9A1 LYS 366 HB2 0.01 -0.15 0.25 -0.04 1.87 1.95 2ze9A1 LYS 366 HB3 -0.08 -0.02 0.02 -0.04 1.79 1.67 2ze9A1 LYS 366 HG2 -0.02 0.08 0.12 -0.04 1.46 1.60 2ze9A1 LYS 366 HG3 -0.07 -0.11 0.04 -0.04 1.46 1.28 2ze9A1 LYS 366 HD2 -0.05 0.05 0.04 -0.04 1.69 1.69 2ze9A1 LYS 366 HD3 -0.03 0.10 -0.15 -0.04 1.68 1.57 2ze9A1 LYS 366 HE2 -0.02 0.03 0.01 -0.04 2.99 2.96 2ze9A1 LYS 366 HE3 -0.04 -0.12 0.02 -0.04 2.99 2.81 2ze9A1 VAL 367 H -0.06 0.82 0.38 -0.55 8.24 8.83 2ze9A1 VAL 367 HA -0.06 0.10 0.98 -0.75 4.13 4.40 2ze9A1 VAL 367 HB -0.06 0.01 0.13 -0.04 2.12 2.17 2ze9A1 VAL 367 HG13 -0.07 -0.04 -0.15 -0.04 0.97 0.66 2ze9A1 VAL 367 HG23 -0.04 0.07 -0.19 -0.04 0.95 0.74 2ze9A1 ARG 368 H -0.09 0.62 0.38 -0.55 8.46 8.81 2ze9A1 ARG 368 HA -0.21 0.27 1.14 -0.75 4.34 4.78 2ze9A1 ARG 368 HB2 -0.38 0.03 0.03 -0.04 1.90 1.54 2ze9A1 ARG 368 HB3 -0.17 -0.12 0.23 -0.04 1.80 1.70 2ze9A1 ARG 368 HG2 -0.15 -0.02 -0.33 -0.04 1.67 1.12 2ze9A1 ARG 368 HG3 -0.62 0.07 -0.03 -0.04 1.67 1.05 2ze9A1 ARG 368 HD2 -0.17 -0.09 -0.10 -0.04 3.22 2.82 2ze9A1 ARG 368 HD3 -0.22 0.01 -0.14 -0.04 3.22 2.83 2ze9A1 ILE 369 H -0.06 0.95 0.36 -0.55 8.25 8.95 2ze9A1 ILE 369 HA 0.00 0.19 1.00 -0.75 4.18 4.62 2ze9A1 ILE 369 HB -0.00 -0.02 0.16 -0.04 1.89 1.99 2ze9A1 ILE 369 HG12 -0.06 0.01 -0.11 -0.04 1.49 1.30 2ze9A1 ILE 369 HG13 -0.06 -0.02 -0.42 -0.04 1.21 0.67 2ze9A1 ILE 369 HG23 0.01 -0.03 -0.18 -0.04 0.93 0.69 2ze9A1 ILE 369 HD13 -0.10 -0.01 -0.11 -0.04 0.88 0.62 2ze9A1 VAL 370 H 0.09 0.84 0.34 -0.55 8.24 8.96 2ze9A1 VAL 370 HA 0.16 0.30 0.97 -0.75 4.13 4.80 2ze9A1 VAL 370 HB 0.21 -0.07 0.10 -0.04 2.12 2.32 2ze9A1 VAL 370 HG13 0.28 0.00 -0.31 -0.04 0.97 0.90 2ze9A1 VAL 370 HG23 0.29 -0.01 -0.25 -0.04 0.95 0.95 2ze9A1 VAL 371 H 0.13 0.59 0.32 -0.55 8.24 8.73 2ze9A1 VAL 371 HA 0.09 0.46 0.95 -0.75 4.13 4.88 2ze9A1 VAL 371 HB 0.08 0.20 0.08 -0.04 2.12 2.44 2ze9A1 VAL 371 HG13 0.07 -0.07 -0.36 -0.04 0.97 0.57 2ze9A1 VAL 371 HG23 0.08 -0.00 -0.04 -0.04 0.95 0.95 2ze9A1 SER 372 H 0.08 0.46 0.40 -0.55 8.46 8.86 2ze9A1 SER 372 HA 0.11 -0.05 0.75 -0.75 4.49 4.55 2ze9A1 SER 372 HB2 0.10 0.04 0.51 -0.04 3.95 4.56 2ze9A1 SER 372 HB3 0.11 0.11 0.44 -0.04 3.93 4.56 2ze9A1 ASP 373 H 0.14 0.26 0.34 -0.55 8.40 8.59 2ze9A1 ASP 373 HA 0.08 0.06 0.52 -0.75 4.63 4.54 2ze9A1 ASP 373 HB2 0.12 0.17 0.28 -0.04 2.71 3.24 2ze9A1 ASP 373 HB3 0.10 -0.02 0.19 -0.04 2.70 2.94 2ze9A1 PRO 374 HA 0.05 0.07 0.48 -0.51 4.44 4.52 2ze9A1 PRO 374 HB2 0.03 0.05 -0.03 -0.04 2.28 2.30 2ze9A1 PRO 374 HB3 0.03 0.06 -0.29 -0.04 2.02 1.77 2ze9A1 PRO 374 HG2 0.04 -0.12 -0.07 -0.04 2.03 1.84 2ze9A1 PRO 374 HG3 0.04 -0.02 -0.15 -0.04 2.03 1.87 2ze9A1 PRO 374 HD2 0.05 0.09 0.24 -0.04 3.68 4.02 2ze9A1 PRO 374 HD3 0.06 0.26 0.22 -0.04 3.65 4.15 2ze9A1 ALA 375 H 0.05 0.06 -0.35 -0.55 8.40 7.61 2ze9A1 ALA 375 HA 0.03 0.09 0.36 -0.75 4.34 4.06 2ze9A1 ALA 375 HB3 0.03 0.01 0.06 -0.04 1.41 1.47 2ze9A1 ASN 376 H 0.07 0.43 -0.57 -0.55 8.53 7.91 2ze9A1 ASN 376 HA 0.09 0.08 0.44 -0.75 4.76 4.62 2ze9A1 ASN 376 HB2 0.13 0.28 -0.27 -0.04 2.88 2.97 2ze9A1 ASN 376 HB3 0.20 -0.35 -0.14 -0.04 2.79 2.45 2ze9A1 ASN 376 HD21 0.13 0.25 -0.15 -0.04 7.03 7.22 2ze9A1 ASN 376 HD22 0.12 0.41 0.10 -0.04 7.74 8.33 2ze9A1 ARG 377 H 0.05 0.52 -0.27 -0.55 8.46 8.20 2ze9A1 ARG 377 HA 0.03 -0.04 0.27 -0.75 4.34 3.85 2ze9A1 ARG 377 HB2 0.03 0.09 0.10 -0.04 1.90 2.07 2ze9A1 ARG 377 HB3 0.02 0.01 0.05 -0.04 1.80 1.84 2ze9A1 ARG 377 HG2 0.01 0.13 -0.20 -0.04 1.67 1.56 2ze9A1 ARG 377 HG3 0.00 0.07 -0.18 -0.04 1.67 1.52 2ze9A1 ARG 377 HD2 0.00 -0.21 -0.54 -0.04 3.22 2.43 2ze9A1 ARG 377 HD3 0.01 0.13 -0.26 -0.04 3.22 3.07 2ze9A1 GLY 378 H 0.02 -0.02 0.14 -0.55 8.43 8.02 2ze9A1 GLY 378 HA2 0.02 0.16 0.62 -0.51 4.01 4.29 2ze9A1 GLY 378 HA3 0.01 -0.04 0.40 -0.51 4.01 3.87 2ze9A1 ALA 379 H 0.00 0.03 0.03 -0.55 8.40 7.92 2ze9A1 ALA 379 HA -0.00 0.10 0.22 -0.75 4.34 3.90 2ze9A1 ALA 379 HB3 0.00 0.05 0.13 -0.04 1.41 1.55 2ze9A1 VAL 380 H -0.00 0.10 0.07 -0.55 8.24 7.85 2ze9A1 VAL 380 HA 0.00 -0.03 0.19 -0.75 4.13 3.54 2ze9A1 VAL 380 HB -0.00 -0.00 0.17 -0.04 2.12 2.24 2ze9A1 VAL 380 HG13 -0.00 0.02 -0.05 -0.04 0.97 0.89 2ze9A1 VAL 380 HG23 -0.01 -0.00 0.03 -0.04 0.95 0.93 2ze9A1 GLY 381 H 0.02 -0.01 0.22 -0.55 8.43 8.13 2ze9A1 GLY 381 HA2 0.12 -0.08 0.46 -0.51 4.01 4.00 2ze9A1 GLY 381 HA3 0.10 0.13 0.81 -0.51 4.01 4.53 2ze9A1 SER 382 H 0.08 -0.11 0.31 -0.55 8.46 8.20 2ze9A1 SER 382 HA 0.09 0.21 0.70 -0.75 4.49 4.73 2ze9A1 SER 382 HB2 0.04 0.01 -0.04 -0.04 3.95 3.92 2ze9A1 SER 382 HB3 0.02 0.05 0.15 -0.04 3.93 4.10 2ze9A1 GLY 383 H 0.01 0.20 0.13 -0.55 8.43 8.22 2ze9A1 GLY 383 HA2 0.04 -0.38 0.57 -0.51 4.01 3.73 2ze9A1 GLY 383 HA3 0.00 0.14 0.37 -0.51 4.01 4.01 2ze9A1 GLY 384 H -0.00 0.00 0.15 -0.55 8.43 8.04 2ze9A1 GLY 384 HA2 -0.02 0.12 0.48 -0.51 4.01 4.08 2ze9A1 GLY 384 HA3 0.04 0.16 0.38 -0.51 4.01 4.07 2ze9A1 TYR 385 H 0.26 0.26 0.09 -0.55 8.29 8.35 2ze9A1 TYR 385 HA 0.10 0.20 0.31 -0.75 4.56 4.42 2ze9A1 TYR 385 HB2 0.08 0.00 0.17 -0.04 3.06 3.27 2ze9A1 TYR 385 HB3 0.09 0.01 0.28 -0.04 2.98 3.33 2ze9A1 TYR 385 HD2 0.15 0.04 0.01 -0.04 7.15 7.31 2ze9A1 TYR 385 HE2 -0.16 -0.01 -0.03 -0.04 6.85 6.62 2ze9A1 SER 386 H 0.06 0.25 -0.62 -0.55 8.46 7.61 2ze9A1 SER 386 HA 0.04 0.11 0.14 -0.75 4.49 4.03 2ze9A1 SER 386 HB2 0.09 0.28 -0.07 -0.04 3.95 4.21 2ze9A1 SER 386 HB3 0.06 -0.02 -0.05 -0.04 3.93 3.88 2ze9A1 GLN 387 H -0.04 0.14 0.05 -0.55 8.47 8.07 2ze9A1 GLN 387 HA -0.05 0.16 0.70 -0.75 4.36 4.42 2ze9A1 GLN 387 HB2 -0.19 0.14 0.01 -0.04 2.15 2.07 2ze9A1 GLN 387 HB3 -0.12 0.02 -0.07 -0.04 2.02 1.80 2ze9A1 GLN 387 HG2 -0.13 -0.04 -0.07 -0.04 2.40 2.12 2ze9A1 GLN 387 HG3 -0.18 -0.01 -0.41 -0.04 2.39 1.75 2ze9A1 GLN 387 HE21 -1.98 -0.02 -0.10 -0.04 6.97 4.83 2ze9A1 GLN 387 HE22 -0.83 -0.04 -0.11 -0.04 7.69 6.67 2ze9A1 ILE 388 H 0.00 0.14 0.01 -0.55 8.25 7.85 2ze9A1 ILE 388 HA 0.01 0.21 0.78 -0.75 4.18 4.42 2ze9A1 ILE 388 HB 0.02 -0.08 0.11 -0.04 1.89 1.91 2ze9A1 ILE 388 HG12 0.03 -0.05 0.04 -0.04 1.49 1.46 2ze9A1 ILE 388 HG13 0.03 0.01 -0.22 -0.04 1.21 0.99 2ze9A1 ILE 388 HG23 0.02 0.00 -0.13 -0.04 0.93 0.79 2ze9A1 ILE 388 HD13 0.05 0.02 -0.18 -0.04 0.88 0.73 2ze9A1 LYS 389 H 0.01 0.10 0.17 -0.55 8.42 8.15 2ze9A1 LYS 389 HA 0.02 0.30 0.93 -0.75 4.32 4.81 2ze9A1 LYS 389 HB2 0.01 -0.05 0.09 -0.04 1.87 1.88 2ze9A1 LYS 389 HB3 0.01 0.04 0.10 -0.04 1.79 1.90 2ze9A1 LYS 389 HG2 0.01 0.12 -0.09 -0.04 1.46 1.46 2ze9A1 LYS 389 HG3 0.01 -0.05 -0.09 -0.04 1.46 1.29 2ze9A1 LYS 389 HD2 0.01 -0.03 0.00 -0.04 1.69 1.63 2ze9A1 LYS 389 HD3 0.01 0.01 0.00 -0.04 1.68 1.65 2ze9A1 LYS 389 HE2 0.00 0.06 -0.04 -0.04 2.99 2.97 2ze9A1 LYS 389 HE3 0.00 0.01 -0.03 -0.04 2.99 2.92 2ze9A1 SER 390 H 0.02 0.13 0.16 -0.55 8.46 8.22 2ze9A1 SER 390 HA 0.03 0.21 0.42 -0.75 4.49 4.40 2ze9A1 SER 390 HB2 0.02 -0.02 0.17 -0.04 3.95 4.08 2ze9A1 SER 390 HB3 0.02 0.26 -0.04 -0.04 3.93 4.12 2ze9A1 LEU 391 H 0.03 0.30 0.15 -0.55 8.37 8.31 2ze9A1 LEU 391 HA 0.05 0.11 0.35 -0.75 4.35 4.10 2ze9A1 LEU 391 HB2 0.04 0.05 0.04 -0.04 1.64 1.73 2ze9A1 LEU 391 HB3 0.05 0.02 0.04 -0.04 1.64 1.72 2ze9A1 LEU 391 HG 0.05 -0.04 0.03 -0.04 1.64 1.64 2ze9A1 LEU 391 HD13 0.06 0.02 -0.09 -0.04 0.93 0.88 2ze9A1 LEU 391 HD23 0.07 0.02 -0.13 -0.04 0.89 0.81 2ze9A1 ASP 392 H 0.03 0.10 -0.35 -0.55 8.40 7.63 2ze9A1 ASP 392 HA 0.02 0.07 0.53 -0.75 4.63 4.50 2ze9A1 ASP 392 HB2 0.01 0.02 -0.04 -0.04 2.71 2.67 2ze9A1 ASP 392 HB3 0.01 0.02 0.02 -0.04 2.70 2.71 2ze9A1 GLU 393 H 0.02 0.35 -0.19 -0.55 8.60 8.23 2ze9A1 GLU 393 HA -0.00 0.06 0.55 -0.75 4.29 4.14 2ze9A1 GLU 393 HB2 0.03 0.13 0.13 -0.04 2.09 2.35 2ze9A1 GLU 393 HB3 0.02 0.04 0.07 -0.04 1.99 2.07 2ze9A1 GLU 393 HG2 0.01 0.04 0.08 -0.04 2.34 2.43 2ze9A1 GLU 393 HG3 0.02 -0.07 0.10 -0.04 2.34 2.34 2ze9A1 ILE 394 H 0.04 0.39 -0.43 -0.55 8.25 7.70 2ze9A1 ILE 394 HA 0.15 0.14 0.74 -0.75 4.18 4.47 2ze9A1 ILE 394 HB 0.07 0.14 0.13 -0.04 1.89 2.18 2ze9A1 ILE 394 HG12 0.16 -0.01 -0.08 -0.04 1.49 1.51 2ze9A1 ILE 394 HG13 0.09 -0.08 -0.16 -0.04 1.21 1.02 2ze9A1 ILE 394 HG23 0.05 0.01 -0.15 -0.04 0.93 0.80 2ze9A1 ILE 394 HD13 0.07 -0.01 -0.05 -0.04 0.88 0.85 2ze9A1 SER 395 H 0.04 0.33 0.14 -0.55 8.46 8.42 2ze9A1 SER 395 HA 0.04 0.11 0.46 -0.75 4.49 4.35 2ze9A1 SER 395 HB2 0.02 0.06 0.04 -0.04 3.95 4.02 2ze9A1 SER 395 HB3 0.03 0.10 0.06 -0.04 3.93 4.07 2ze9A1 ASP 396 H 0.01 0.64 0.04 -0.55 8.40 8.54 2ze9A1 ASP 396 HA -0.01 0.05 0.46 -0.75 4.63 4.37 2ze9A1 ASP 396 HB2 -0.02 0.10 0.07 -0.04 2.71 2.82 2ze9A1 ASP 396 HB3 -0.02 -0.03 0.01 -0.04 2.70 2.62 2ze9A1 THR 397 H -0.07 0.22 -0.61 -0.55 8.28 7.27 2ze9A1 THR 397 HA -0.21 0.01 0.42 -0.75 4.39 3.86 2ze9A1 THR 397 HB -0.50 0.13 0.06 -0.04 4.32 3.97 2ze9A1 THR 397 HG23 -1.46 -0.03 -0.08 -0.04 1.22 -0.39 2ze9A1 LEU 398 H 0.11 0.61 0.00 -0.55 8.37 8.54 2ze9A1 LEU 398 HA 0.14 0.02 0.53 -0.75 4.35 4.28 2ze9A1 LEU 398 HB2 0.05 0.08 0.20 -0.04 1.64 1.93 2ze9A1 LEU 398 HB3 0.03 0.01 -0.02 -0.04 1.64 1.62 2ze9A1 LEU 398 HG 0.17 0.09 0.03 -0.04 1.64 1.89 2ze9A1 LEU 398 HD13 -0.03 -0.00 -0.10 -0.04 0.93 0.75 2ze9A1 LEU 398 HD23 0.00 -0.01 -0.04 -0.04 0.89 0.81 2ze9A1 ARG 399 H 0.01 0.72 -0.17 -0.55 8.46 8.46 2ze9A1 ARG 399 HA 0.01 0.00 0.33 -0.75 4.34 3.93 2ze9A1 ARG 399 HB2 0.00 0.06 0.06 -0.04 1.90 1.99 2ze9A1 ARG 399 HB3 -0.01 0.11 0.14 -0.04 1.80 2.00 2ze9A1 ARG 399 HG2 -0.00 -0.05 -0.20 -0.04 1.67 1.38 2ze9A1 ARG 399 HG3 0.00 -0.04 -0.03 -0.04 1.67 1.57 2ze9A1 ARG 399 HD2 0.00 -0.03 -0.05 -0.04 3.22 3.10 2ze9A1 ARG 399 HD3 0.00 -0.05 -0.06 -0.04 3.22 3.07 2ze9A1 THR 400 H -0.03 0.63 -0.07 -0.55 8.28 8.27 2ze9A1 THR 400 HA -0.01 -0.03 0.40 -0.75 4.39 4.00 2ze9A1 THR 400 HB -0.07 0.10 0.14 -0.04 4.32 4.44 2ze9A1 THR 400 HG23 0.00 -0.02 -0.04 -0.04 1.22 1.12 2ze9A1 ARG 401 H -0.02 0.62 -0.17 -0.55 8.46 8.34 2ze9A1 ARG 401 HA 0.02 -0.00 0.61 -0.75 4.34 4.22 2ze9A1 ARG 401 HB2 0.06 0.13 0.08 -0.04 1.90 2.13 2ze9A1 ARG 401 HB3 0.06 -0.06 -0.02 -0.04 1.80 1.73 2ze9A1 ARG 401 HG2 -0.09 0.24 -0.03 -0.04 1.67 1.75 2ze9A1 ARG 401 HG3 0.08 -0.10 -0.18 -0.04 1.67 1.43 2ze9A1 ARG 401 HD2 0.01 -0.03 -0.22 -0.04 3.22 2.95 2ze9A1 ARG 401 HD3 0.07 -0.05 -0.07 -0.04 3.22 3.12 2ze9A1 LEU 402 H 0.01 0.73 -0.01 -0.55 8.37 8.56 2ze9A1 LEU 402 HA 0.01 0.06 0.59 -0.75 4.35 4.26 2ze9A1 LEU 402 HB2 0.01 0.07 0.14 -0.04 1.64 1.82 2ze9A1 LEU 402 HB3 0.01 -0.12 0.03 -0.04 1.64 1.52 2ze9A1 LEU 402 HG 0.01 -0.01 0.02 -0.04 1.64 1.63 2ze9A1 LEU 402 HD13 0.01 0.02 -0.09 -0.04 0.93 0.82 2ze9A1 LEU 402 HD23 0.00 0.00 0.02 -0.04 0.89 0.88 2ze9A1 VAL 403 H 0.01 0.55 -0.21 -0.55 8.24 8.04 2ze9A1 VAL 403 HA 0.00 -0.06 0.45 -0.75 4.13 3.77 2ze9A1 VAL 403 HB 0.00 0.12 0.10 -0.04 2.12 2.30 2ze9A1 VAL 403 HG13 0.00 -0.02 -0.20 -0.04 0.97 0.71 2ze9A1 VAL 403 HG23 0.00 0.01 -0.14 -0.04 0.95 0.78 2ze9A1 ALA 404 H 0.01 0.51 -0.03 -0.55 8.40 8.35 2ze9A1 ALA 404 HA 0.01 -0.00 0.37 -0.75 4.34 3.96 2ze9A1 ALA 404 HB3 0.02 0.03 0.10 -0.04 1.41 1.51 2ze9A1 LEU 405 H 0.01 0.24 -0.64 -0.55 8.37 7.43 2ze9A1 LEU 405 HA 0.01 0.02 0.21 -0.75 4.35 3.84 2ze9A1 LEU 405 HB2 0.01 -0.03 0.04 -0.04 1.64 1.62 2ze9A1 LEU 405 HB3 0.01 0.08 0.12 -0.04 1.64 1.81 2ze9A1 LEU 405 HG 0.01 0.01 -0.31 -0.04 1.64 1.30 2ze9A1 LEU 405 HD13 0.01 -0.01 -0.01 -0.04 0.93 0.87 2ze9A1 LEU 405 HD23 0.01 -0.01 -0.12 -0.04 0.89 0.72 2ze9A1 THR 406 H 0.01 0.28 -0.06 -0.55 8.28 7.96 2ze9A1 THR 406 HA 0.00 0.21 0.65 -0.75 4.39 4.50 2ze9A1 THR 406 HB 0.00 -0.09 0.07 -0.04 4.32 4.26 2ze9A1 THR 406 HG23 0.00 0.01 -0.05 -0.04 1.22 1.14 2ze9A1 GLY 407 H 0.00 0.43 0.04 -0.55 8.43 8.35 2ze9A1 GLY 407 HA2 0.00 0.08 0.33 -0.51 4.01 3.91 2ze9A1 GLY 407 HA3 0.00 0.16 0.77 -0.51 4.01 4.43 2ze9A1 ASP 408 H 0.00 0.15 -0.21 -0.55 8.40 7.80 2ze9A1 ASP 408 HA 0.00 0.28 1.09 -0.75 4.63 5.24 2ze9A1 ASP 408 HB2 0.00 -0.07 0.09 -0.04 2.71 2.69 2ze9A1 ASP 408 HB3 0.00 0.16 -0.16 -0.04 2.70 2.66 2ze9A1 ASN 409 H 0.00 0.24 0.16 -0.55 8.53 8.39 2ze9A1 ASN 409 HA 0.00 0.12 0.25 -0.75 4.76 4.37 2ze9A1 ASN 409 HB2 0.00 0.04 0.10 -0.04 2.88 2.98 2ze9A1 ASN 409 HB3 0.00 0.02 0.03 -0.04 2.79 2.80 2ze9A1 ASN 409 HD21 0.00 0.03 -0.02 -0.04 7.03 7.00 2ze9A1 ASN 409 HD22 0.00 0.00 -0.06 -0.04 7.74 7.64 2ze9A1 GLU 410 H 0.00 0.02 -0.35 -0.55 8.60 7.73 2ze9A1 GLU 410 HA 0.00 0.18 0.54 -0.75 4.29 4.26 2ze9A1 GLU 410 HB2 0.00 -0.01 0.03 -0.04 2.09 2.07 2ze9A1 GLU 410 HB3 0.00 0.08 0.02 -0.04 1.99 2.05 2ze9A1 GLU 410 HG2 0.00 -0.12 -0.05 -0.04 2.34 2.13 2ze9A1 GLU 410 HG3 0.00 0.04 0.00 -0.04 2.34 2.34 2ze9A1 LYS 411 H 0.00 0.05 -0.09 -0.55 8.42 7.82 2ze9A1 LYS 411 HA 0.00 0.12 0.61 -0.75 4.32 4.30 2ze9A1 LYS 411 HB2 0.00 -0.05 0.11 -0.04 1.87 1.89 2ze9A1 LYS 411 HB3 0.00 0.06 0.10 -0.04 1.79 1.90 2ze9A1 LYS 411 HG2 0.00 0.05 -0.04 -0.04 1.46 1.43 2ze9A1 LYS 411 HG3 0.00 0.01 0.06 -0.04 1.46 1.49 2ze9A1 LYS 411 HD2 0.00 -0.03 0.02 -0.04 1.69 1.64 2ze9A1 LYS 411 HD3 0.00 0.07 0.01 -0.04 1.68 1.72 2ze9A1 LYS 411 HE2 0.00 -0.09 0.02 -0.04 2.99 2.88 2ze9A1 LYS 411 HE3 0.00 0.06 0.03 -0.04 2.99 3.04 2ze9A1 ALA 412 H 0.00 0.42 -0.12 -0.55 8.40 8.16 2ze9A1 ALA 412 HA 0.00 0.05 0.36 -0.75 4.34 4.00 2ze9A1 ALA 412 HB3 0.00 0.07 -0.02 -0.04 1.41 1.42 2ze9A1 SER 413 H 0.00 0.29 -0.35 -0.55 8.46 7.85 2ze9A1 SER 413 HA 0.00 -0.00 0.33 -0.75 4.49 4.07 2ze9A1 SER 413 HB2 0.00 0.06 0.15 -0.04 3.95 4.13 2ze9A1 SER 413 HB3 0.00 0.06 0.05 -0.04 3.93 4.00 2ze9A1 ARG 414 H 0.00 0.36 -0.15 -0.55 8.46 8.12 2ze9A1 ARG 414 HA 0.00 0.01 0.51 -0.75 4.34 4.11 2ze9A1 ARG 414 HB2 0.00 0.08 0.21 -0.04 1.90 2.14 2ze9A1 ARG 414 HB3 0.00 0.01 0.06 -0.04 1.80 1.83 2ze9A1 ARG 414 HG2 0.00 -0.04 0.06 -0.04 1.67 1.65 2ze9A1 ARG 414 HG3 0.00 0.16 0.13 -0.04 1.67 1.91 2ze9A1 ARG 414 HD2 0.00 -0.01 0.02 -0.04 3.22 3.19 2ze9A1 ARG 414 HD3 0.00 -0.07 -0.01 -0.04 3.22 3.11 2ze9A1 ALA 415 H 0.00 0.43 -0.22 -0.55 8.40 8.06 2ze9A1 ALA 415 HA -0.00 0.17 0.50 -0.75 4.34 4.26 2ze9A1 ALA 415 HB3 -0.00 -0.03 -0.22 -0.04 1.41 1.12 2ze9A1 LEU 416 H 0.00 0.70 0.08 -0.55 8.37 8.60 2ze9A1 LEU 416 HA -0.00 -0.01 0.47 -0.75 4.35 4.05 2ze9A1 LEU 416 HB2 0.01 0.02 0.07 -0.04 1.64 1.69 2ze9A1 LEU 416 HB3 0.01 -0.01 0.09 -0.04 1.64 1.68 2ze9A1 LEU 416 HG 0.01 0.04 -0.15 -0.04 1.64 1.50 2ze9A1 LEU 416 HD13 0.01 -0.04 -0.01 -0.04 0.93 0.86 2ze9A1 LEU 416 HD23 0.01 -0.03 -0.08 -0.04 0.89 0.75 2ze9A1 CYS 417 H 0.00 0.59 -0.01 -0.55 8.50 8.54 2ze9A1 CYS 417 HA 0.01 0.02 0.41 -0.75 4.58 4.27 2ze9A1 CYS 417 HB2 0.01 0.03 0.12 -0.04 2.97 3.08 2ze9A1 CYS 417 HB3 0.01 -0.08 0.07 -0.04 2.97 2.94 2ze9A1 GLY 418 H 0.00 0.39 -0.12 -0.55 8.43 8.15 2ze9A1 GLY 418 HA2 0.00 -0.06 0.48 -0.51 4.01 3.92 2ze9A1 GLY 418 HA3 -0.00 0.10 0.37 -0.51 4.01 3.97 2ze9A1 ASN 419 H -0.01 0.37 -0.23 -0.55 8.53 8.11 2ze9A1 ASN 419 HA -0.03 0.15 0.87 -0.75 4.76 4.99 2ze9A1 ASN 419 HB2 -0.02 0.12 0.13 -0.04 2.88 3.07 2ze9A1 ASN 419 HB3 -0.02 0.03 0.09 -0.04 2.79 2.85 2ze9A1 ASN 419 HD21 -0.01 -0.12 0.01 -0.04 7.03 6.88 2ze9A1 ASN 419 HD22 -0.01 0.38 0.17 -0.04 7.74 8.24 2ze9A1 LEU 420 H -0.02 0.41 0.06 -0.55 8.37 8.28 2ze9A1 LEU 420 HA -0.06 0.24 1.10 -0.75 4.35 4.88 2ze9A1 LEU 420 HB2 -0.02 -0.08 0.06 -0.04 1.64 1.56 2ze9A1 LEU 420 HB3 -0.01 0.23 0.20 -0.04 1.64 2.02 2ze9A1 LEU 420 HG -0.01 -0.03 -0.45 -0.04 1.64 1.11 2ze9A1 LEU 420 HD13 -0.04 0.01 -0.08 -0.04 0.93 0.77 2ze9A1 LEU 420 HD23 0.01 -0.04 -0.07 -0.04 0.89 0.74 2ze9A1 GLN 421 H -0.12 0.68 0.43 -0.55 8.47 8.91 2ze9A1 GLN 421 HA 0.02 0.17 0.84 -0.75 4.36 4.64 2ze9A1 GLN 421 HB2 -0.47 -0.00 0.24 -0.04 2.15 1.88 2ze9A1 GLN 421 HB3 -0.80 -0.06 0.03 -0.04 2.02 1.15 2ze9A1 GLN 421 HG2 0.01 0.02 0.03 -0.04 2.40 2.42 2ze9A1 GLN 421 HG3 -0.15 0.11 -0.23 -0.04 2.39 2.09 2ze9A1 GLN 421 HE21 -0.16 -0.06 -0.05 -0.04 6.97 6.65 2ze9A1 GLN 421 HE22 0.07 0.05 -0.05 -0.04 7.69 7.72 2ze9A1 LEU 422 H 0.12 0.34 0.18 -0.55 8.37 8.46 2ze9A1 LEU 422 HA 0.07 0.40 1.10 -0.75 4.35 5.17 2ze9A1 LEU 422 HB2 0.03 0.00 -0.09 -0.04 1.64 1.54 2ze9A1 LEU 422 HB3 0.07 0.07 0.14 -0.04 1.64 1.87 2ze9A1 LEU 422 HG 0.07 -0.03 -0.17 -0.04 1.64 1.47 2ze9A1 LEU 422 HD13 0.05 0.02 0.02 -0.04 0.93 0.98 2ze9A1 LEU 422 HD23 0.04 0.02 -0.01 -0.04 0.89 0.89 2ze9A1 ALA 423 H 0.15 0.51 0.39 -0.55 8.40 8.90 2ze9A1 ALA 423 HA 0.12 0.20 0.93 -0.75 4.34 4.83 2ze9A1 ALA 423 HB3 0.27 0.05 -0.25 -0.04 1.41 1.44 2ze9A1 SER 424 H 0.07 0.38 0.26 -0.55 8.46 8.61 2ze9A1 SER 424 HA 0.11 0.28 0.88 -0.75 4.49 5.01 2ze9A1 SER 424 HB2 0.05 0.05 0.10 -0.04 3.95 4.11 2ze9A1 SER 424 HB3 0.09 -0.05 0.13 -0.04 3.93 4.06 2ze9A1 PHE 425 H 0.21 0.46 0.25 -0.55 8.34 8.71 2ze9A1 PHE 425 HA -0.01 0.05 0.47 -0.75 4.62 4.38 2ze9A1 PHE 425 HB2 -0.02 0.01 -0.11 -0.04 3.15 2.98 2ze9A1 PHE 425 HB3 -0.04 -0.06 0.02 -0.04 3.06 2.94 2ze9A1 PHE 425 HD2 -0.08 -0.02 -0.24 -0.04 7.28 6.89 2ze9A1 PHE 425 HE2 0.04 -0.03 -0.14 -0.04 7.38 7.21 2ze9A1 PHE 425 HZ -0.38 -0.06 -0.12 -0.04 7.32 6.71 2ze9A1 ARG 426 H -0.65 0.29 0.23 -0.55 8.46 7.77 2ze9A1 ARG 426 HA -1.62 0.06 0.44 -0.75 4.34 2.47 2ze9A1 ARG 426 HB2 -0.36 0.03 -0.31 -0.04 1.90 1.23 2ze9A1 ARG 426 HB3 -0.58 0.02 0.04 -0.04 1.80 1.24 2ze9A1 ARG 426 HG2 -0.17 0.07 -0.01 -0.04 1.67 1.52 2ze9A1 ARG 426 HG3 -0.18 0.03 -0.22 -0.04 1.67 1.25 2ze9A1 ARG 426 HD2 -0.12 0.14 -0.06 -0.04 3.22 3.13 2ze9A1 ARG 426 HD3 -0.06 0.21 -0.09 -0.04 3.22 3.24 2ze9A1 SER 427 H -1.60 0.13 0.06 -0.55 8.46 6.50 2ze9A1 SER 427 HA -0.15 0.29 0.89 -0.75 4.49 4.76 2ze9A1 SER 427 HB2 -0.64 -0.10 0.07 -0.04 3.95 3.24 2ze9A1 SER 427 HB3 -0.66 0.06 -0.07 -0.04 3.93 3.21 2ze9A1 SER 428 H -0.60 0.32 0.08 -0.55 8.46 7.71 2ze9A1 SER 428 HA -1.22 0.11 0.55 -0.75 4.49 3.18 2ze9A1 SER 428 HB2 -0.20 -0.01 0.00 -0.04 3.95 3.69 2ze9A1 SER 428 HB3 -0.25 -0.04 -0.21 -0.04 3.93 3.39 2ze9A1 ASP 429 H -0.13 0.10 0.12 -0.55 8.40 7.94 2ze9A1 ASP 429 HA 0.06 0.20 0.39 -0.75 4.63 4.53 2ze9A1 ASP 429 HB2 0.01 -0.07 0.10 -0.04 2.71 2.71 2ze9A1 ASP 429 HB3 0.01 0.04 0.04 -0.04 2.70 2.75 2ze9A1 ALA 430 H -0.04 -0.13 -0.22 -0.55 8.40 7.47 2ze9A1 ALA 430 HA -0.01 0.09 0.57 -0.75 4.34 4.24 2ze9A1 ALA 430 HB3 -0.01 -0.01 0.05 -0.04 1.41 1.40 2ze9A1 ALA 431 H -0.01 0.08 0.16 -0.55 8.40 8.09 2ze9A1 ALA 431 HA 0.04 0.15 0.40 -0.75 4.34 4.18 2ze9A1 ALA 431 HB3 -0.00 0.00 0.10 -0.04 1.41 1.46 2ze9A1 LYS 432 H -0.09 0.10 -0.14 -0.55 8.42 7.75 2ze9A1 LYS 432 HA -0.63 0.05 0.62 -0.75 4.32 3.60 2ze9A1 LYS 432 HB2 -0.17 0.25 -0.28 -0.04 1.87 1.62 2ze9A1 LYS 432 HB3 -0.11 -0.00 -0.18 -0.04 1.79 1.45 2ze9A1 LYS 432 HG2 -0.07 -0.20 -0.09 -0.04 1.46 1.06 2ze9A1 LYS 432 HG3 -0.07 0.15 -0.27 -0.04 1.46 1.23 2ze9A1 LYS 432 HD2 -0.04 0.32 -0.07 -0.04 1.69 1.86 2ze9A1 LYS 432 HD3 -0.04 -0.06 -0.12 -0.04 1.68 1.43 2ze9A1 LYS 432 HE2 -0.02 -0.00 -0.05 -0.04 2.99 2.87 2ze9A1 LYS 432 HE3 -0.02 0.01 -0.02 -0.04 2.99 2.92 2ze9A1 TRP 433 H -0.56 0.39 0.11 -0.55 7.97 7.36 2ze9A1 TRP 433 HA -0.30 0.00 0.53 -0.75 4.62 4.10 2ze9A1 TRP 433 HB2 -0.17 0.04 0.07 -0.04 3.23 3.12 2ze9A1 TRP 433 HB3 -0.09 0.06 0.13 -0.04 3.23 3.29 2ze9A1 TRP 433 HD1 -0.12 0.16 -0.33 -0.04 7.22 6.89 2ze9A1 TRP 433 HE1 0.07 0.07 -0.11 -0.04 10.20 10.20 2ze9A1 TRP 433 HE3 -0.03 0.06 0.09 -0.04 7.59 7.67 2ze9A1 TRP 433 HZ2 0.10 0.14 -0.06 -0.04 7.44 7.57 2ze9A1 TRP 433 HZ3 0.00 0.10 0.02 -0.04 7.13 7.21 2ze9A1 TRP 433 HH2 -0.04 -0.09 -0.07 -0.04 7.19 6.95 2ze9A1 ALA 434 H 0.26 0.81 0.34 -0.55 8.40 9.26 2ze9A1 ALA 434 HA 0.05 0.05 0.36 -0.75 4.34 4.05 2ze9A1 ALA 434 HB3 0.07 -0.04 -0.02 -0.04 1.41 1.38 2ze9A1 ASP 435 H 0.10 0.14 -0.28 -0.55 8.40 7.82 2ze9A1 ASP 435 HA 0.02 0.13 0.52 -0.75 4.63 4.55 2ze9A1 ASP 435 HB2 0.03 0.01 0.11 -0.04 2.71 2.82 2ze9A1 ASP 435 HB3 0.03 0.01 0.04 -0.04 2.70 2.74 2ze9A1 GLY 436 H 0.03 0.54 -0.50 -0.55 8.43 7.95 2ze9A1 GLY 436 HA2 -0.02 0.01 0.22 -0.51 4.01 3.71 2ze9A1 GLY 436 HA3 -0.02 0.12 0.61 -0.51 4.01 4.21 2ze9A1 LYS 437 H -0.03 -0.01 -0.31 -0.55 8.42 7.52 2ze9A1 LYS 437 HA -0.09 0.15 0.44 -0.75 4.32 4.07 2ze9A1 LYS 437 HB2 -0.22 -0.08 -0.02 -0.04 1.87 1.51 2ze9A1 LYS 437 HB3 -0.29 0.11 0.05 -0.04 1.79 1.62 2ze9A1 LYS 437 HG2 -0.27 -0.01 -0.14 -0.04 1.46 1.01 2ze9A1 LYS 437 HG3 -1.37 -0.04 -0.04 -0.04 1.46 -0.04 2ze9A1 LYS 437 HD2 -0.29 0.03 -0.01 -0.04 1.69 1.38 2ze9A1 LYS 437 HD3 -0.16 0.04 -0.10 -0.04 1.68 1.42 2ze9A1 LYS 437 HE2 -0.18 -0.04 -0.02 -0.04 2.99 2.70 2ze9A1 LYS 437 HE3 -0.10 -0.00 -0.02 -0.04 2.99 2.83 2ze9A1 PRO 438 HA -0.13 0.04 0.61 -0.51 4.44 4.45 2ze9A1 PRO 438 HB2 0.07 0.06 -0.04 -0.04 2.28 2.33 2ze9A1 PRO 438 HB3 0.01 0.02 0.08 -0.04 2.02 2.10 2ze9A1 PRO 438 HG2 0.06 0.02 -0.12 -0.04 2.03 1.94 2ze9A1 PRO 438 HG3 0.02 0.11 -0.13 -0.04 2.03 2.00 2ze9A1 PRO 438 HD2 -0.02 0.06 0.16 -0.04 3.68 3.84 2ze9A1 PRO 438 HD3 -0.03 0.18 0.19 -0.04 3.65 3.95 2ze9A1 TYR 439 H -0.05 0.18 0.22 -0.55 8.29 8.09 2ze9A1 TYR 439 HA 0.19 0.12 0.56 -0.75 4.56 4.67 2ze9A1 TYR 439 HB2 0.04 0.14 0.08 -0.04 3.06 3.27 2ze9A1 TYR 439 HB3 0.00 0.02 -0.06 -0.04 2.98 2.90 2ze9A1 TYR 439 HD2 -1.04 0.12 0.07 -0.04 7.15 6.27 2ze9A1 TYR 439 HE2 -0.92 0.14 -0.25 -0.04 6.85 5.78 2ze9A1 ALA 440 H 0.28 0.26 0.17 -0.55 8.40 8.56 2ze9A1 ALA 440 HA 0.08 0.14 0.93 -0.75 4.34 4.73 2ze9A1 ALA 440 HB3 -0.26 0.02 0.10 -0.04 1.41 1.24 2ze9A1 LEU 441 H 0.03 0.25 0.32 -0.55 8.37 8.43 2ze9A1 LEU 441 HA -0.34 0.20 1.03 -0.75 4.35 4.49 2ze9A1 LEU 441 HB2 -0.36 0.00 -0.08 -0.04 1.64 1.16 2ze9A1 LEU 441 HB3 -0.07 0.01 0.09 -0.04 1.64 1.64 2ze9A1 LEU 441 HG -0.28 -0.04 -0.39 -0.04 1.64 0.90 2ze9A1 LEU 441 HD13 -1.51 0.05 -0.04 -0.04 0.93 -0.60 2ze9A1 LEU 441 HD23 -0.13 0.04 -0.26 -0.04 0.89 0.50 2ze9A1 HIS 442 H -0.07 0.53 0.34 -0.55 8.41 8.67 2ze9A1 HIS 442 HA 0.14 0.11 0.84 -0.75 4.63 4.97 2ze9A1 HIS 442 HB2 0.06 -0.01 -0.29 -0.04 3.26 2.98 2ze9A1 HIS 442 HB3 0.08 -0.00 -0.08 -0.04 3.20 3.15 2ze9A1 HIS 442 HD2 0.40 0.01 0.03 -0.04 6.97 7.37 2ze9A1 HIS 442 HE1 -0.04 0.15 0.14 -0.04 7.75 7.96 2ze9A1 HIS 443 H -0.04 0.05 0.08 -0.55 8.41 7.95 2ze9A1 HIS 443 HA 0.04 -0.08 0.45 -0.75 4.63 4.28 2ze9A1 HIS 443 HB2 0.03 -0.00 -0.37 -0.04 3.26 2.88 2ze9A1 HIS 443 HB3 0.05 0.04 -0.05 -0.04 3.20 3.20 2ze9A1 HIS 443 HD2 0.01 -0.19 -0.15 -0.04 6.97 6.59 2ze9A1 HIS 443 HE1 0.25 0.04 -0.14 -0.04 7.75 7.85 2ze9A1 LYS 444 H 0.10 0.15 0.11 -0.55 8.42 8.23 2ze9A1 LYS 444 HA 0.08 0.07 0.50 -0.75 4.32 4.22 2ze9A1 LYS 444 HB2 0.13 0.09 -0.01 -0.04 1.87 2.04 2ze9A1 LYS 444 HB3 0.12 0.18 -0.24 -0.04 1.79 1.81 2ze9A1 LYS 444 HG2 -0.05 0.01 -0.56 -0.04 1.46 0.82 2ze9A1 LYS 444 HG3 -0.05 0.05 -0.07 -0.04 1.46 1.35 2ze9A1 LYS 444 HD2 -0.06 -0.03 -0.07 -0.04 1.69 1.50 2ze9A1 LYS 444 HD3 -0.01 0.07 0.10 -0.04 1.68 1.80 2ze9A1 LYS 444 HE2 -0.15 0.01 0.14 -0.04 2.99 2.95 2ze9A1 LYS 444 HE3 -0.12 0.17 0.10 -0.04 2.99 3.10 2ze9A1 LEU 445 H 0.14 0.70 0.10 -0.55 8.37 8.77 2ze9A1 LEU 445 HA 0.19 0.39 1.09 -0.75 4.35 5.26 2ze9A1 LEU 445 HB2 0.01 -0.07 -0.03 -0.04 1.64 1.51 2ze9A1 LEU 445 HB3 0.12 0.04 0.13 -0.04 1.64 1.88 2ze9A1 LEU 445 HG 0.08 -0.04 -0.27 -0.04 1.64 1.37 2ze9A1 LEU 445 HD13 0.07 0.03 -0.04 -0.04 0.93 0.95 2ze9A1 LEU 445 HD23 -0.04 -0.02 -0.12 -0.04 0.89 0.66 2ze9A1 VAL 446 H 0.21 0.42 0.34 -0.55 8.24 8.66 2ze9A1 VAL 446 HA 0.05 0.32 0.81 -0.75 4.13 4.56 2ze9A1 VAL 446 HB 0.04 -0.11 0.09 -0.04 2.12 2.10 2ze9A1 VAL 446 HG13 -0.02 0.01 -0.10 -0.04 0.97 0.82 2ze9A1 VAL 446 HG23 -0.02 0.00 -0.16 -0.04 0.95 0.73 2ze9A1 SER 447 H 0.03 0.68 0.36 -0.55 8.46 8.99 2ze9A1 SER 447 HA 0.10 0.27 0.97 -0.75 4.49 5.08 2ze9A1 SER 447 HB2 0.06 0.01 -0.01 -0.04 3.95 3.98 2ze9A1 SER 447 HB3 0.02 -0.05 0.07 -0.04 3.93 3.93 2ze9A1 VAL 448 H -0.07 0.52 0.35 -0.55 8.24 8.48 2ze9A1 VAL 448 HA -0.19 0.30 1.03 -0.75 4.13 4.51 2ze9A1 VAL 448 HB -0.13 0.06 0.08 -0.04 2.12 2.09 2ze9A1 VAL 448 HG13 -0.26 -0.04 -0.10 -0.04 0.97 0.53 2ze9A1 VAL 448 HG23 -0.05 0.11 -0.18 -0.04 0.95 0.79 2ze9A1 ASP 449 H -0.63 0.76 0.36 -0.55 8.40 8.34 2ze9A1 ASP 449 HA -0.48 0.03 0.41 -0.75 4.63 3.84 2ze9A1 ASP 449 HB2 -0.21 0.09 -0.22 -0.04 2.71 2.33 2ze9A1 ASP 449 HB3 0.01 0.07 0.17 -0.04 2.70 2.91 2ze9A1 ASP 450 H -0.20 0.05 -0.35 -0.55 8.40 7.35 2ze9A1 ASP 450 HA 0.03 -0.03 0.18 -0.75 4.63 4.05 2ze9A1 ASP 450 HB2 0.11 0.12 -0.04 -0.04 2.71 2.87 2ze9A1 ASP 450 HB3 0.07 -0.01 0.10 -0.04 2.70 2.82 2ze9A1 SER 451 H -0.09 0.23 -0.07 -0.55 8.46 7.99 2ze9A1 SER 451 HA 0.01 0.10 0.80 -0.75 4.49 4.65 2ze9A1 SER 451 HB2 -0.40 0.03 0.02 -0.04 3.95 3.56 2ze9A1 SER 451 HB3 -0.02 -0.10 -0.01 -0.04 3.93 3.76 2ze9A1 ALA 452 H -0.17 0.36 0.31 -0.55 8.40 8.34 2ze9A1 ALA 452 HA -0.13 0.45 1.14 -0.75 4.34 5.04 2ze9A1 ALA 452 HB3 -0.19 -0.01 -0.02 -0.04 1.41 1.14 2ze9A1 PHE 453 H -0.45 0.51 0.39 -0.55 8.34 8.24 2ze9A1 PHE 453 HA -0.00 0.29 1.04 -0.75 4.62 5.19 2ze9A1 PHE 453 HB2 0.05 0.14 0.11 -0.04 3.15 3.40 2ze9A1 PHE 453 HB3 0.01 -0.11 -0.06 -0.04 3.06 2.86 2ze9A1 PHE 453 HD2 0.04 -0.00 -0.30 -0.04 7.28 6.98 2ze9A1 PHE 453 HE2 0.06 -0.02 -0.20 -0.04 7.38 7.19 2ze9A1 PHE 453 HZ -0.42 -0.01 -0.12 -0.04 7.32 6.73 2ze9A1 TYR 454 H 0.24 0.52 0.39 -0.55 8.29 8.88 2ze9A1 TYR 454 HA -0.04 0.35 0.99 -0.75 4.56 5.11 2ze9A1 TYR 454 HB2 -0.05 -0.02 0.01 -0.04 3.06 2.96 2ze9A1 TYR 454 HB3 0.00 -0.10 0.18 -0.04 2.98 3.02 2ze9A1 TYR 454 HD2 -0.07 0.05 -0.26 -0.04 7.15 6.83 2ze9A1 TYR 454 HE2 -0.15 0.05 -0.24 -0.04 6.85 6.47 2ze9A1 ILE 455 H -0.19 0.54 0.27 -0.55 8.25 8.31 2ze9A1 ILE 455 HA -0.05 0.27 0.77 -0.75 4.18 4.41 2ze9A1 ILE 455 HB 0.15 -0.05 0.09 -0.04 1.89 2.04 2ze9A1 ILE 455 HG12 0.06 -0.00 -0.02 -0.04 1.49 1.49 2ze9A1 ILE 455 HG13 0.25 0.02 -0.20 -0.04 1.21 1.24 2ze9A1 ILE 455 HG23 0.03 0.00 -0.18 -0.04 0.93 0.74 2ze9A1 ILE 455 HD13 0.26 0.00 -0.13 -0.04 0.88 0.98 2ze9A1 GLY 456 H -0.19 0.48 0.19 -0.55 8.43 8.37 2ze9A1 GLY 456 HA2 -0.23 0.06 0.47 -0.51 4.01 3.79 2ze9A1 GLY 456 HA3 -0.58 -0.07 0.66 -0.51 4.01 3.51 2ze9A1 SER 457 H 0.00 0.52 0.39 -0.55 8.46 8.83 2ze9A1 SER 457 HA 0.01 0.22 0.74 -0.75 4.49 4.71 2ze9A1 SER 457 HB2 0.01 0.15 0.11 -0.04 3.95 4.18 2ze9A1 SER 457 HB3 0.01 0.12 0.24 -0.04 3.93 4.26 2ze9A1 LYS 458 H 0.20 0.01 -0.05 -0.55 8.42 8.02 2ze9A1 LYS 458 HA -0.08 0.05 0.37 -0.75 4.32 3.90 2ze9A1 LYS 458 HB2 -0.04 -0.14 -0.07 -0.04 1.87 1.58 2ze9A1 LYS 458 HB3 -0.14 -0.01 -0.03 -0.04 1.79 1.58 2ze9A1 LYS 458 HG2 -0.16 -0.06 -0.25 -0.04 1.46 0.94 2ze9A1 LYS 458 HG3 -0.18 0.25 -0.40 -0.04 1.46 1.08 2ze9A1 LYS 458 HD2 -0.14 0.02 -0.05 -0.04 1.69 1.49 2ze9A1 LYS 458 HD3 -0.07 -0.14 -0.12 -0.04 1.68 1.30 2ze9A1 LYS 458 HE2 -0.04 -0.15 -0.15 -0.04 2.99 2.61 2ze9A1 LYS 458 HE3 -0.08 0.15 -0.12 -0.04 2.99 2.90 2ze9A1 ASN 459 H -0.23 0.13 0.19 -0.55 8.53 8.08 2ze9A1 ASN 459 HA -0.15 0.06 0.53 -0.75 4.76 4.44 2ze9A1 ASN 459 HB2 -0.90 0.07 0.01 -0.04 2.88 2.01 2ze9A1 ASN 459 HB3 -0.72 -0.12 0.06 -0.04 2.79 1.97 2ze9A1 ASN 459 HD21 -0.10 0.05 0.05 -0.04 7.03 6.99 2ze9A1 ASN 459 HD22 -0.33 -0.07 0.05 -0.04 7.74 7.35 2ze9A1 LEU 460 H -0.08 0.13 0.16 -0.55 8.37 8.03 2ze9A1 LEU 460 HA -0.10 0.11 0.49 -0.75 4.35 4.10 2ze9A1 LEU 460 HB2 0.01 0.05 0.11 -0.04 1.64 1.76 2ze9A1 LEU 460 HB3 -0.02 -0.04 0.02 -0.04 1.64 1.56 2ze9A1 LEU 460 HG -0.05 0.02 -0.05 -0.04 1.64 1.52 2ze9A1 LEU 460 HD13 -0.05 -0.01 -0.05 -0.04 0.93 0.77 2ze9A1 LEU 460 HD23 -0.11 0.01 -0.10 -0.04 0.89 0.64 2ze9A1 TYR 461 H -0.04 0.03 -0.21 -0.55 8.29 7.52 2ze9A1 TYR 461 HA 0.05 0.28 0.46 -0.75 4.56 4.59 2ze9A1 TYR 461 HB2 0.01 0.04 -0.68 -0.04 3.06 2.38 2ze9A1 TYR 461 HB3 0.03 -0.21 -0.76 -0.04 2.98 2.00 2ze9A1 TYR 461 HD2 -0.04 0.17 -0.33 -0.04 7.15 6.91 2ze9A1 TYR 461 HE2 -0.05 -0.01 -0.08 -0.04 6.85 6.68 2ze9A1 PRO 462 HA -0.03 0.00 0.36 -0.51 4.44 4.26 2ze9A1 PRO 462 HB2 -0.10 0.09 -0.05 -0.04 2.28 2.19 2ze9A1 PRO 462 HB3 -0.04 -0.09 -0.07 -0.04 2.02 1.77 2ze9A1 PRO 462 HG2 0.02 0.09 -0.43 -0.04 2.03 1.67 2ze9A1 PRO 462 HG3 0.07 -0.04 -0.32 -0.04 2.03 1.70 2ze9A1 PRO 462 HD2 0.15 0.08 -0.08 -0.04 3.68 3.79 2ze9A1 PRO 462 HD3 0.18 0.15 0.09 -0.04 3.65 4.03 2ze9A1 ALA 463 H -0.14 0.28 0.16 -0.55 8.40 8.15 2ze9A1 ALA 463 HA -0.57 0.08 0.38 -0.75 4.34 3.48 2ze9A1 ALA 463 HB3 -0.24 0.03 -0.05 -0.04 1.41 1.11 2ze9A1 TRP 464 H -0.35 0.30 0.05 -0.55 7.97 7.42 2ze9A1 TRP 464 HA 0.10 0.16 0.69 -0.75 4.62 4.82 2ze9A1 TRP 464 HB2 -0.13 0.28 0.13 -0.04 3.23 3.46 2ze9A1 TRP 464 HB3 0.02 -0.04 0.03 -0.04 3.23 3.19 2ze9A1 TRP 464 HD1 -0.17 0.18 -0.40 -0.04 7.22 6.79 2ze9A1 TRP 464 HE1 -0.26 -0.12 -0.13 -0.04 10.20 9.65 2ze9A1 TRP 464 HE3 -0.09 0.44 0.02 -0.04 7.59 7.92 2ze9A1 TRP 464 HZ2 -0.17 -0.13 0.05 -0.04 7.44 7.14 2ze9A1 TRP 464 HZ3 -0.04 0.03 -0.02 -0.04 7.13 7.05 2ze9A1 TRP 464 HH2 -0.09 0.08 -0.03 -0.04 7.19 7.10 2ze9A1 LEU 465 H -0.04 0.22 -0.18 -0.55 8.37 7.83 2ze9A1 LEU 465 HA -0.30 0.08 0.71 -0.75 4.35 4.08 2ze9A1 LEU 465 HB2 -0.20 -0.03 -0.14 -0.04 1.64 1.22 2ze9A1 LEU 465 HB3 -0.39 0.21 0.11 -0.04 1.64 1.53 2ze9A1 LEU 465 HG -0.40 -0.17 -0.13 -0.04 1.64 0.90 2ze9A1 LEU 465 HD13 -0.20 0.02 -0.08 -0.04 0.93 0.62 2ze9A1 LEU 465 HD23 -1.54 0.05 -0.07 -0.04 0.89 -0.71 2ze9A1 GLN 466 H -0.16 0.42 0.08 -0.55 8.47 8.27 2ze9A1 GLN 466 HA 0.01 0.22 0.77 -0.75 4.36 4.61 2ze9A1 GLN 466 HB2 -0.05 -0.15 0.10 -0.04 2.15 2.01 2ze9A1 GLN 466 HB3 0.06 0.10 0.05 -0.04 2.02 2.19 2ze9A1 GLN 466 HG2 -0.20 0.04 -0.04 -0.04 2.40 2.16 2ze9A1 GLN 466 HG3 -0.11 -0.02 -0.31 -0.04 2.39 1.90 2ze9A1 GLN 466 HE21 -0.25 -0.07 -0.19 -0.04 6.97 6.43 2ze9A1 GLN 466 HE22 -0.22 0.53 -0.33 -0.04 7.69 7.63 2ze9A1 ASP 467 H 0.08 0.19 0.20 -0.55 8.40 8.32 2ze9A1 ASP 467 HA 0.06 0.14 0.82 -0.75 4.63 4.89 2ze9A1 ASP 467 HB2 -0.02 0.05 -0.11 -0.04 2.71 2.58 2ze9A1 ASP 467 HB3 -0.01 -0.06 -0.04 -0.04 2.70 2.55 2ze9A1 PHE 468 H 0.03 0.25 0.29 -0.55 8.34 8.36 2ze9A1 PHE 468 HA -0.31 0.26 0.64 -0.75 4.62 4.45 2ze9A1 PHE 468 HB2 -1.00 0.15 -0.00 -0.04 3.15 2.26 2ze9A1 PHE 468 HB3 -0.31 -0.10 -0.06 -0.04 3.06 2.55 2ze9A1 PHE 468 HD2 -0.72 -0.03 -0.17 -0.04 7.28 6.32 2ze9A1 PHE 468 HE2 -0.59 0.01 -0.24 -0.04 7.38 6.53 2ze9A1 PHE 468 HZ -0.24 -0.02 -0.17 -0.04 7.32 6.85 2ze9A1 GLY 469 H -1.26 0.66 0.39 -0.55 8.43 7.67 2ze9A1 GLY 469 HA2 -0.58 0.07 0.48 -0.51 4.01 3.48 2ze9A1 GLY 469 HA3 -0.70 -0.02 0.54 -0.51 4.01 3.32 2ze9A1 TYR 470 H -0.47 0.68 0.35 -0.55 8.29 8.29 2ze9A1 TYR 470 HA -0.29 0.26 1.15 -0.75 4.56 4.93 2ze9A1 TYR 470 HB2 -0.17 0.03 0.09 -0.04 3.06 2.97 2ze9A1 TYR 470 HB3 -0.17 0.00 -0.14 -0.04 2.98 2.64 2ze9A1 TYR 470 HD2 -0.05 0.05 -0.09 -0.04 7.15 7.02 2ze9A1 TYR 470 HE2 0.16 0.03 -0.17 -0.04 6.85 6.83 2ze9A1 ILE 471 H -0.01 0.92 0.40 -0.55 8.25 9.02 2ze9A1 ILE 471 HA -0.15 0.38 1.17 -0.75 4.18 4.83 2ze9A1 ILE 471 HB -0.04 -0.08 0.13 -0.04 1.89 1.85 2ze9A1 ILE 471 HG12 0.19 0.03 -0.18 -0.04 1.49 1.48 2ze9A1 ILE 471 HG13 0.07 -0.02 -0.24 -0.04 1.21 0.99 2ze9A1 ILE 471 HG23 -0.08 0.00 -0.23 -0.04 0.93 0.57 2ze9A1 ILE 471 HD13 -0.02 -0.01 -0.18 -0.04 0.88 0.63 2ze9A1 VAL 472 H -0.63 0.57 0.32 -0.55 8.24 7.95 2ze9A1 VAL 472 HA -0.31 0.26 0.96 -0.75 4.13 4.28 2ze9A1 VAL 472 HB -1.66 -0.06 0.11 -0.04 2.12 0.48 2ze9A1 VAL 472 HG13 -0.31 -0.01 -0.18 -0.04 0.97 0.43 2ze9A1 VAL 472 HG23 -0.42 0.01 -0.16 -0.04 0.95 0.34 2ze9A1 GLU 473 H -0.17 0.52 0.27 -0.55 8.60 8.67 2ze9A1 GLU 473 HA -0.13 0.29 1.10 -0.75 4.29 4.80 2ze9A1 GLU 473 HB2 -0.05 -0.13 0.09 -0.04 2.09 1.96 2ze9A1 GLU 473 HB3 -0.05 0.04 0.23 -0.04 1.99 2.18 2ze9A1 GLU 473 HG2 0.01 0.11 -0.03 -0.04 2.34 2.38 2ze9A1 GLU 473 HG3 -0.00 0.18 -0.02 -0.04 2.34 2.46 2ze9A1 SER 474 H -0.02 0.73 0.15 -0.55 8.46 8.78 2ze9A1 SER 474 HA -0.01 0.17 0.64 -0.75 4.49 4.53 2ze9A1 SER 474 HB2 -0.08 0.22 0.04 -0.04 3.95 4.08 2ze9A1 SER 474 HB3 -0.03 -0.06 -0.05 -0.04 3.93 3.76 2ze9A1 PRO 475 HA 0.05 0.29 0.69 -0.51 4.44 4.95 2ze9A1 PRO 475 HB2 0.03 -0.04 0.15 -0.04 2.28 2.37 2ze9A1 PRO 475 HB3 0.03 0.11 0.17 -0.04 2.02 2.29 2ze9A1 PRO 475 HG2 0.02 0.07 0.15 -0.04 2.03 2.24 2ze9A1 PRO 475 HG3 0.03 0.09 0.18 -0.04 2.03 2.29 2ze9A1 PRO 475 HD2 0.01 0.09 0.28 -0.04 3.68 4.02 2ze9A1 PRO 475 HD3 0.02 0.19 0.20 -0.04 3.65 4.01 2ze9A1 ALA 476 H 0.03 0.16 -0.04 -0.55 8.40 8.01 2ze9A1 ALA 476 HA 0.06 0.11 0.51 -0.75 4.34 4.26 2ze9A1 ALA 476 HB3 0.04 0.02 0.07 -0.04 1.41 1.50 2ze9A1 ALA 477 H 0.05 0.10 -0.15 -0.55 8.40 7.86 2ze9A1 ALA 477 HA 0.30 0.06 0.52 -0.75 4.34 4.47 2ze9A1 ALA 477 HB3 -0.04 0.04 0.02 -0.04 1.41 1.39 2ze9A1 ALA 478 H 0.17 0.58 -0.23 -0.55 8.40 8.37 2ze9A1 ALA 478 HA -0.03 0.03 0.48 -0.75 4.34 4.06 2ze9A1 ALA 478 HB3 0.17 0.06 -0.30 -0.04 1.41 1.29 2ze9A1 GLN 479 H 0.08 0.57 -0.15 -0.55 8.47 8.43 2ze9A1 GLN 479 HA 0.03 0.02 0.58 -0.75 4.36 4.23 2ze9A1 GLN 479 HB2 0.04 0.10 0.17 -0.04 2.15 2.42 2ze9A1 GLN 479 HB3 0.06 0.20 0.19 -0.04 2.02 2.42 2ze9A1 GLN 479 HG2 0.02 -0.05 -0.18 -0.04 2.40 2.16 2ze9A1 GLN 479 HG3 0.02 -0.02 0.05 -0.04 2.39 2.39 2ze9A1 GLN 479 HE21 0.03 -0.01 -0.01 -0.04 6.97 6.93 2ze9A1 GLN 479 HE22 0.03 -0.02 -0.05 -0.04 7.69 7.61 2ze9A1 GLN 480 H 0.13 0.38 -0.20 -0.55 8.47 8.23 2ze9A1 GLN 480 HA 0.01 0.05 0.55 -0.75 4.36 4.21 2ze9A1 GLN 480 HB2 0.37 0.14 0.14 -0.04 2.15 2.76 2ze9A1 GLN 480 HB3 0.00 -0.04 0.05 -0.04 2.02 1.99 2ze9A1 GLN 480 HG2 0.10 -0.05 -0.00 -0.04 2.40 2.41 2ze9A1 GLN 480 HG3 0.16 0.21 0.08 -0.04 2.39 2.81 2ze9A1 GLN 480 HE21 0.30 0.18 -0.20 -0.04 6.97 7.21 2ze9A1 GLN 480 HE22 0.15 -0.08 -0.19 -0.04 7.69 7.53 2ze9A1 LEU 481 H 0.02 0.45 -0.19 -0.55 8.37 8.11 2ze9A1 LEU 481 HA -0.20 0.06 0.48 -0.75 4.35 3.94 2ze9A1 LEU 481 HB2 -0.34 0.09 0.08 -0.04 1.64 1.43 2ze9A1 LEU 481 HB3 -0.20 0.09 0.14 -0.04 1.64 1.63 2ze9A1 LEU 481 HG -0.13 -0.07 -0.24 -0.04 1.64 1.15 2ze9A1 LEU 481 HD13 -0.19 -0.00 -0.05 -0.04 0.93 0.64 2ze9A1 LEU 481 HD23 -0.50 0.00 -0.09 -0.04 0.89 0.26 2ze9A1 LYS 482 H -0.04 0.70 -0.05 -0.55 8.42 8.48 2ze9A1 LYS 482 HA -0.04 -0.10 0.52 -0.75 4.32 3.95 2ze9A1 LYS 482 HB2 0.01 0.01 0.14 -0.04 1.87 1.98 2ze9A1 LYS 482 HB3 -0.01 0.17 0.20 -0.04 1.79 2.11 2ze9A1 LYS 482 HG2 -0.03 0.03 -0.26 -0.04 1.46 1.15 2ze9A1 LYS 482 HG3 -0.02 -0.07 -0.01 -0.04 1.46 1.32 2ze9A1 LYS 482 HD2 0.02 -0.01 -0.00 -0.04 1.69 1.65 2ze9A1 LYS 482 HD3 -0.00 0.04 0.01 -0.04 1.68 1.69 2ze9A1 LYS 482 HE2 -0.03 0.02 -0.03 -0.04 2.99 2.91 2ze9A1 LYS 482 HE3 -0.03 0.01 -0.04 -0.04 2.99 2.89 2ze9A1 THR 483 H -0.06 0.37 -0.39 -0.55 8.28 7.66 2ze9A1 THR 483 HA -0.08 0.03 0.24 -0.75 4.39 3.83 2ze9A1 THR 483 HB -0.06 0.03 0.08 -0.04 4.32 4.33 2ze9A1 THR 483 HG23 -0.06 -0.02 -0.07 -0.04 1.22 1.04 2ze9A1 GLU 484 H -0.11 0.51 -0.05 -0.55 8.60 8.41 2ze9A1 GLU 484 HA -0.14 0.10 0.64 -0.75 4.29 4.14 2ze9A1 GLU 484 HB2 -0.17 0.14 0.17 -0.04 2.09 2.19 2ze9A1 GLU 484 HB3 -0.09 -0.05 0.08 -0.04 1.99 1.89 2ze9A1 GLU 484 HG2 -0.10 0.01 0.09 -0.04 2.34 2.30 2ze9A1 GLU 484 HG3 -0.15 -0.04 0.05 -0.04 2.34 2.16 2ze9A1 LEU 485 H -0.13 0.33 -0.20 -0.55 8.37 7.82 2ze9A1 LEU 485 HA -0.10 0.17 0.95 -0.75 4.35 4.61 2ze9A1 LEU 485 HB2 0.01 -0.01 -0.20 -0.04 1.64 1.40 2ze9A1 LEU 485 HB3 -0.04 0.04 0.06 -0.04 1.64 1.66 2ze9A1 LEU 485 HG 0.15 -0.02 -0.24 -0.04 1.64 1.49 2ze9A1 LEU 485 HD13 0.65 -0.01 -0.03 -0.04 0.93 1.50 2ze9A1 LEU 485 HD23 -0.12 -0.01 -0.11 -0.04 0.89 0.61 2ze9A1 LEU 486 H -0.06 0.39 0.15 -0.55 8.37 8.31 2ze9A1 LEU 486 HA 0.07 0.08 0.46 -0.75 4.35 4.21 2ze9A1 LEU 486 HB2 -0.01 -0.02 0.13 -0.04 1.64 1.70 2ze9A1 LEU 486 HB3 0.02 0.02 -0.02 -0.04 1.64 1.62 2ze9A1 LEU 486 HG -0.00 0.00 -0.12 -0.04 1.64 1.48 2ze9A1 LEU 486 HD13 0.01 -0.01 -0.11 -0.04 0.93 0.78 2ze9A1 LEU 486 HD23 0.10 0.01 -0.16 -0.04 0.89 0.80 2ze9A1 ASP 487 H -0.08 0.91 0.20 -0.55 8.40 8.88 2ze9A1 ASP 487 HA 0.00 -0.01 0.46 -0.75 4.63 4.33 2ze9A1 ASP 487 HB2 -0.12 0.21 0.17 -0.04 2.71 2.93 2ze9A1 ASP 487 HB3 -0.11 -0.05 -0.06 -0.04 2.70 2.44 2ze9A1 PRO 488 HA -0.42 0.00 0.33 -0.51 4.44 3.85 2ze9A1 PRO 488 HB2 -2.07 0.06 -0.08 -0.04 2.28 0.15 2ze9A1 PRO 488 HB3 -1.01 -0.04 0.00 -0.04 2.02 0.93 2ze9A1 PRO 488 HG2 -0.68 0.19 -0.43 -0.04 2.03 1.06 2ze9A1 PRO 488 HG3 -0.44 0.06 -0.04 -0.04 2.03 1.56 2ze9A1 PRO 488 HD2 -0.33 -0.16 -0.83 -0.04 3.68 2.32 2ze9A1 PRO 488 HD3 -0.24 0.21 -0.10 -0.04 3.65 3.47 2ze9A1 GLU 489 H -0.28 0.61 -0.26 -0.55 8.60 8.12 2ze9A1 GLU 489 HA 0.20 0.07 0.56 -0.75 4.29 4.37 2ze9A1 GLU 489 HB2 0.67 -0.07 0.06 -0.04 2.09 2.70 2ze9A1 GLU 489 HB3 0.23 0.17 0.15 -0.04 1.99 2.50 2ze9A1 GLU 489 HG2 0.30 0.06 -0.45 -0.04 2.34 2.20 2ze9A1 GLU 489 HG3 0.33 -0.06 -0.09 -0.04 2.34 2.48 2ze9A1 TRP 490 H 0.15 0.61 -0.13 -0.55 7.97 8.05 2ze9A1 TRP 490 HA -0.05 0.02 0.55 -0.75 4.62 4.39 2ze9A1 TRP 490 HB2 -0.04 -0.01 0.05 -0.04 3.23 3.18 2ze9A1 TRP 490 HB3 -0.10 0.06 0.12 -0.04 3.23 3.27 2ze9A1 TRP 490 HD1 -0.08 -0.01 -0.10 -0.04 7.22 7.00 2ze9A1 TRP 490 HE1 -0.05 0.02 -0.06 -0.04 10.20 10.07 2ze9A1 TRP 490 HE3 -0.01 0.00 -0.13 -0.04 7.59 7.41 2ze9A1 TRP 490 HZ2 -0.03 0.06 -0.01 -0.04 7.44 7.42 2ze9A1 TRP 490 HZ3 -0.00 0.01 -0.31 -0.04 7.13 6.79 2ze9A1 TRP 490 HH2 -0.01 0.03 -0.07 -0.04 7.19 7.10 2ze9A1 LYS 491 H -0.14 0.74 0.02 -0.55 8.42 8.48 2ze9A1 LYS 491 HA -0.39 -0.03 0.36 -0.75 4.32 3.51 2ze9A1 LYS 491 HB2 -0.36 -0.02 0.04 -0.04 1.87 1.49 2ze9A1 LYS 491 HB3 -0.63 0.25 0.11 -0.04 1.79 1.48 2ze9A1 LYS 491 HG2 -1.39 -0.02 -0.34 -0.04 1.46 -0.32 2ze9A1 LYS 491 HG3 -0.49 -0.04 -0.04 -0.04 1.46 0.86 2ze9A1 LYS 491 HD2 -0.37 -0.00 -0.06 -0.04 1.69 1.22 2ze9A1 LYS 491 HD3 -0.70 -0.02 -0.07 -0.04 1.68 0.84 2ze9A1 LYS 491 HE2 -0.29 0.00 -0.05 -0.04 2.99 2.62 2ze9A1 LYS 491 HE3 -0.19 -0.01 -0.04 -0.04 2.99 2.71 2ze9A1 TYR 492 H -0.21 0.38 -0.40 -0.55 8.29 7.51 2ze9A1 TYR 492 HA -0.20 0.12 0.61 -0.75 4.56 4.34 2ze9A1 TYR 492 HB2 -0.18 0.21 -0.19 -0.04 3.06 2.86 2ze9A1 TYR 492 HB3 -0.23 0.09 -0.25 -0.04 2.98 2.55 2ze9A1 TYR 492 HD2 0.05 0.12 -0.26 -0.04 7.15 7.01 2ze9A1 TYR 492 HE2 0.05 -0.03 -0.09 -0.04 6.85 6.75 2ze9A1 SER 493 H -0.17 0.54 0.01 -0.55 8.46 8.29 2ze9A1 SER 493 HA -0.19 0.09 0.61 -0.75 4.49 4.25 2ze9A1 SER 493 HB2 0.09 0.01 0.04 -0.04 3.95 4.05 2ze9A1 SER 493 HB3 0.01 0.19 0.05 -0.04 3.93 4.14 2ze9A1 GLN 494 H -0.85 0.60 -0.16 -0.55 8.47 7.52 2ze9A1 GLN 494 HA -1.09 0.01 0.40 -0.75 4.36 2.92 2ze9A1 GLN 494 HB2 -0.78 -0.04 0.03 -0.04 2.15 1.32 2ze9A1 GLN 494 HB3 -2.78 -0.02 0.06 -0.04 2.02 -0.77 2ze9A1 GLN 494 HG2 -0.85 0.34 -0.03 -0.04 2.40 1.82 2ze9A1 GLN 494 HG3 -0.51 -0.04 -0.16 -0.04 2.39 1.65 2ze9A1 GLN 494 HE21 -0.27 -0.08 -0.10 -0.04 6.97 6.47 2ze9A1 GLN 494 HE22 -0.87 0.08 -0.38 -0.04 7.69 6.47 2ze9A1 GLN 495 H -0.30 0.28 -0.58 -0.55 8.47 7.33 2ze9A1 GLN 495 HA -0.14 0.01 0.47 -0.75 4.36 3.95 2ze9A1 GLN 495 HB2 -0.13 0.31 0.05 -0.04 2.15 2.34 2ze9A1 GLN 495 HB3 -0.08 -0.05 -0.07 -0.04 2.02 1.77 2ze9A1 GLN 495 HG2 -0.06 0.01 0.06 -0.04 2.40 2.37 2ze9A1 GLN 495 HG3 -0.09 -0.07 0.07 -0.04 2.39 2.26 2ze9A1 GLN 495 HE21 0.00 -0.02 0.03 -0.04 6.97 6.94 2ze9A1 GLN 495 HE22 0.00 -0.05 0.08 -0.04 7.69 7.69 2ze9A1 ALA 496 H -0.15 0.68 -0.36 -0.55 8.40 8.03 2ze9A1 ALA 496 HA -0.03 0.15 0.87 -0.75 4.34 4.58 2ze9A1 ALA 496 HB3 -0.02 0.01 0.13 -0.04 1.41 1.49 2ze9A1 ALA 497 H -0.06 0.31 -0.25 -0.55 8.40 7.85 2ze9A1 ALA 497 HA 0.11 0.14 0.87 -0.75 4.34 4.71 2ze9A1 ALA 497 HB3 0.10 -0.00 0.09 -0.04 1.41 1.56 2ze9A1 ALA 498 H 0.09 0.61 0.34 -0.55 8.40 8.89 2ze9A1 ALA 498 HA 0.04 0.10 0.84 -0.75 4.34 4.56 2ze9A1 ALA 498 HB3 0.05 -0.05 -0.04 -0.04 1.41 1.33 2ze9A1 THR 499 H 0.03 0.15 0.06 -0.55 8.28 7.98 2ze9A1 THR 499 HA 0.04 0.24 0.77 -0.75 4.39 4.68 2ze9A1 THR 499 HB 0.02 -0.10 0.10 -0.04 4.32 4.29 2ze9A1 THR 499 HG23 0.02 0.07 -0.10 -0.04 1.22 1.17 2ze9A1 PRO 500 HA 0.02 -0.11 0.45 -0.51 4.44 4.28 2ze9A1 PRO 500 HB2 0.02 0.11 -0.12 -0.04 2.28 2.24 2ze9A1 PRO 500 HB3 0.02 -0.10 0.01 -0.04 2.02 1.91 2ze9A1 PRO 500 HG2 0.02 0.11 -0.06 -0.04 2.03 2.05 2ze9A1 PRO 500 HG3 0.03 -0.07 -0.03 -0.04 2.03 1.92 2ze9A1 PRO 500 HD2 0.02 0.12 0.10 -0.04 3.68 3.89 2ze9A1 PRO 500 HD3 0.04 0.46 0.08 -0.04 3.65 4.18 2ze9A1 ALA 501 H 0.01 -0.02 0.14 -0.55 8.40 7.99 2ze9A1 ALA 501 HA 0.01 0.06 0.56 -0.75 4.34 4.21 2ze9A1 ALA 501 HB3 0.01 -0.01 0.08 -0.04 1.41 1.45 2ze9A1 GLY 502 H 0.01 0.11 0.12 -0.55 8.43 8.13 2ze9A1 GLY 502 HA2 0.01 -0.03 0.28 -0.51 4.01 3.75 2ze9A1 GLY 502 HA3 0.01 0.07 0.49 -0.51 4.01 4.07 2ze9A1 CYS 503 H 0.01 0.37 -0.23 -0.55 8.50 8.11 2ze9A1 CYS 503 HA 0.01 0.16 0.84 -0.75 4.58 4.84 2ze9A1 CYS 503 HB2 0.02 0.10 -0.03 -0.04 2.97 3.01 2ze9A1 CYS 503 HB3 0.01 0.06 0.02 -0.04 2.97 3.03 2ze9A1 PRO 504 HA 0.01 0.04 0.17 -0.51 4.44 4.15 2ze9A1 PRO 504 HB2 0.01 0.06 0.04 -0.04 2.28 2.35 2ze9A1 PRO 504 HB3 0.01 0.01 0.05 -0.04 2.02 2.04 2ze9A1 PRO 504 HG2 0.01 0.08 0.04 -0.04 2.03 2.12 2ze9A1 PRO 504 HG3 0.01 0.01 0.04 -0.04 2.03 2.05 2ze9A1 PRO 504 HD2 0.01 0.15 0.18 -0.04 3.68 3.97 2ze9A1 PRO 504 HD3 0.01 0.16 0.11 -0.04 3.65 3.89