============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. HIS 3 0.900 77.444 47.068 2.880 -99.200 -91.000 HIS 8 0.900 87.728 46.666 12.204 -99.200 -91.000 HIS 26 0.900 70.936 35.143 12.113 -99.200 -91.000 TYR 29 0.840 76.224 44.830 14.031 -99.200 -91.000 PHE 40 1.000 93.662 46.516 15.189 -99.200 -91.000 TYR 56 0.840 96.369 32.355 29.130 -99.200 -91.000 HIS 58 0.900 97.924 26.754 19.528 -99.200 -91.000 PHE 59 1.000 93.923 33.902 21.794 -99.200 -91.000 PHE 64 1.000 100.223 39.212 24.697 -99.200 -91.000 PHE 68 1.000 96.850 41.108 16.154 -99.200 -91.000 TYR 75 0.840 89.105 48.992 20.093 -99.200 -91.000 PHE 92 1.000 90.728 36.810 34.432 -99.200 -91.000 TYR 106 0.840 93.762 45.550 30.292 -99.200 -91.000 PHE 109 1.000 91.663 36.121 39.718 -99.200 -91.000 PHE 114 1.000 85.653 24.872 36.422 -99.200 -91.000 TRP 126 1.040 74.153 23.695 26.449 -99.200 -91.000 TRP6 126 1.020 73.883 25.534 24.995 -99.200 -91.000 PHE 136 1.000 78.528 41.952 32.985 -99.200 -91.000 PHE 137 1.000 77.752 44.801 27.318 -99.200 -91.000 TYR 142 0.840 65.450 33.372 36.580 -99.200 -91.000 TYR 145 0.840 74.022 32.982 28.533 -99.200 -91.000 TYR 146 0.840 79.210 24.051 24.550 -99.200 -91.000 PHE 147 1.000 79.593 28.888 31.150 -99.200 -91.000 HIS 149 0.900 85.277 26.788 31.715 -99.200 -91.000 PHE 151 1.000 93.710 24.413 32.657 -99.200 -91.000 TRP 168 1.040 87.911 44.616 36.868 -99.200 -91.000 TRP6 168 1.020 88.009 44.131 34.557 -99.200 -91.000 TYR 175 0.840 81.629 21.626 36.219 -99.200 -91.000 PHE 180 1.000 82.623 28.986 36.072 -99.200 -91.000 PHE 190 1.000 80.097 41.155 27.365 -99.200 -91.000 PHE 194 1.000 78.494 33.371 28.127 -99.200 -91.000 HIS 195 0.900 83.836 29.305 22.886 -99.200 -91.000 PHE 210 1.000 81.184 44.151 22.273 -99.200 -91.000 TYR 221 0.840 62.431 34.786 32.571 -99.200 -91.000 TYR 233 0.840 74.024 25.950 40.874 -99.200 -91.000 TYR 236 0.840 78.809 16.784 38.684 -99.200 -91.000 TYR 271 0.840 69.097 15.489 13.826 -99.200 -91.000 TYR 272 0.840 70.402 26.203 16.057 -99.200 -91.000 PHE 281 1.000 77.420 17.509 11.073 -99.200 -91.000 PHE 305 1.000 74.501 31.062 14.499 -99.200 -91.000 TYR 334 0.840 87.601 17.051 9.219 -99.200 -91.000 PHE 335 1.000 89.602 21.313 16.103 -99.200 -91.000 TYR 350 0.840 95.558 1.110 15.307 -99.200 -91.000 TYR 355 0.840 99.202 5.586 29.174 -99.200 -91.000 TYR 356 0.840 97.146 0.789 29.430 -99.200 -91.000 TYR 375 0.840 93.423 23.486 17.665 -99.200 -91.000 TYR 390 0.840 78.059 -12.035 30.141 -99.200 -91.000 PHE 402 1.000 80.873 -4.342 34.467 -99.200 -91.000 TYR 406 0.840 71.265 -6.844 33.760 -99.200 -91.000 TYR 414 0.840 83.040 -11.722 39.053 -99.200 -91.000 TRP 416 1.040 86.932 -8.969 29.134 -99.200 -91.000 TRP6 416 1.020 88.131 -8.189 27.250 -99.200 -91.000 TYR 417 0.840 80.565 -3.711 28.487 -99.200 -91.000 TRP 433 1.040 89.767 -0.013 34.489 -99.200 -91.000 TRP6 433 1.020 88.269 0.791 36.135 -99.200 -91.000 TYR 461 0.840 71.274 6.144 26.106 -99.200 -91.000 HIS 468 0.900 83.989 -1.274 33.588 -99.200 -91.000 HIS 488 0.900 64.786 3.724 25.709 -99.200 -91.000 PHE 489 1.000 67.419 10.649 24.921 -99.200 -91.000 PHE 493 1.000 70.571 12.963 30.931 -99.200 -91.000 PHE 507 1.000 67.110 12.767 19.147 -99.200 -91.000 HIS 508 0.900 67.689 9.863 9.177 -99.200 -91.000 PHE 512 1.000 59.362 9.343 20.796 -99.200 -91.000 TYR 520 0.840 59.515 11.166 30.036 -99.200 -91.000 HIS 524 0.900 58.701 12.309 33.763 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1ox5A1 GLY -3 HA2 0.09 0.03 0.16 -0.51 4.01 3.78 1ox5A1 GLY -3 HA3 0.08 -0.03 0.16 -0.51 4.01 3.71 1ox5A1 SER -2 H 0.27 -0.22 0.24 -0.55 8.46 8.20 1ox5A1 SER -2 HA 0.06 0.15 0.50 -0.75 4.49 4.45 1ox5A1 SER -2 HB2 0.05 -0.02 0.12 -0.04 3.95 4.06 1ox5A1 SER -2 HB3 0.06 0.14 -0.18 -0.04 3.93 3.92 1ox5A1 HIS -1 H 0.52 -0.00 0.20 -0.55 8.41 8.58 1ox5A1 HIS -1 HA -0.01 0.14 0.70 -0.75 4.63 4.72 1ox5A1 HIS -1 HB2 -0.01 0.00 0.13 -0.04 3.26 3.35 1ox5A1 HIS -1 HB3 -0.00 -0.05 0.09 -0.04 3.20 3.19 1ox5A1 HIS -1 HD2 -0.00 -0.02 -0.06 -0.04 6.97 6.84 1ox5A1 HIS -1 HE1 0.01 0.06 -0.00 -0.04 7.75 7.77 1ox5A1 MET 1 H -0.23 0.13 -0.13 -0.55 8.47 7.69 1ox5A1 MET 1 HA -0.20 0.18 0.57 -0.75 4.52 4.32 1ox5A1 MET 1 HB2 -0.27 0.27 0.09 -0.04 2.15 2.20 1ox5A1 MET 1 HB3 -0.33 0.04 -0.02 -0.04 2.03 1.67 1ox5A1 MET 1 HG2 -1.18 -0.17 -0.19 -0.04 2.63 1.05 1ox5A1 MET 1 HG3 -0.29 -0.03 -0.21 -0.04 2.56 1.98 1ox5A1 MET 1 HE3 -0.07 -0.03 -0.12 -0.04 2.10 1.85 1ox5A1 PRO 2 HA 0.00 0.01 0.42 -0.51 4.44 4.35 1ox5A1 PRO 2 HB2 0.09 0.03 -0.01 -0.04 2.28 2.34 1ox5A1 PRO 2 HB3 0.07 0.05 0.06 -0.04 2.02 2.15 1ox5A1 PRO 2 HG2 -0.47 0.09 0.05 -0.04 2.03 1.66 1ox5A1 PRO 2 HG3 -0.14 0.00 0.05 -0.04 2.03 1.91 1ox5A1 PRO 2 HD2 -0.48 0.28 0.25 -0.04 3.68 3.69 1ox5A1 PRO 2 HD3 -0.24 0.10 0.21 -0.04 3.65 3.68 1ox5A1 VAL 3 H 0.08 0.11 0.21 -0.55 8.24 8.09 1ox5A1 VAL 3 HA 0.05 0.19 0.85 -0.75 4.13 4.47 1ox5A1 VAL 3 HB 0.11 -0.03 0.14 -0.04 2.12 2.30 1ox5A1 VAL 3 HG13 -0.17 -0.02 -0.19 -0.04 0.97 0.55 1ox5A1 VAL 3 HG23 0.04 0.03 -0.08 -0.04 0.95 0.89 1ox5A1 VAL 4 H 0.02 0.72 0.34 -0.55 8.24 8.77 1ox5A1 VAL 4 HA 0.11 0.20 0.96 -0.75 4.13 4.65 1ox5A1 VAL 4 HB 0.02 -0.05 0.04 -0.04 2.12 2.09 1ox5A1 VAL 4 HG13 0.03 -0.01 -0.26 -0.04 0.97 0.68 1ox5A1 VAL 4 HG23 0.01 0.02 -0.21 -0.04 0.95 0.73 1ox5A1 HIS 5 H 0.22 0.72 0.35 -0.55 8.41 9.15 1ox5A1 HIS 5 HA -0.01 0.21 0.88 -0.75 4.63 4.95 1ox5A1 HIS 5 HB2 -0.06 0.04 0.18 -0.04 3.26 3.38 1ox5A1 HIS 5 HB3 -0.14 -0.04 -0.02 -0.04 3.20 2.96 1ox5A1 HIS 5 HD2 0.10 0.02 -0.08 -0.04 6.97 6.97 1ox5A1 HIS 5 HE1 0.10 0.12 0.07 -0.04 7.75 8.00 1ox5A1 VAL 6 H -0.05 0.62 0.32 -0.55 8.24 8.58 1ox5A1 VAL 6 HA -0.08 0.24 1.01 -0.75 4.13 4.55 1ox5A1 VAL 6 HB -0.04 -0.09 0.04 -0.04 2.12 1.99 1ox5A1 VAL 6 HG13 -0.05 0.01 -0.12 -0.04 0.97 0.77 1ox5A1 VAL 6 HG23 -0.03 0.03 -0.23 -0.04 0.95 0.68 1ox5A1 ILE 7 H -0.16 0.57 0.31 -0.55 8.25 8.42 1ox5A1 ILE 7 HA -0.25 0.13 0.67 -0.75 4.18 3.97 1ox5A1 ILE 7 HB -0.25 0.02 0.25 -0.04 1.89 1.87 1ox5A1 ILE 7 HG12 -0.56 0.00 -0.05 -0.04 1.49 0.84 1ox5A1 ILE 7 HG13 -0.35 0.04 -0.03 -0.04 1.21 0.83 1ox5A1 ILE 7 HG23 -0.75 -0.01 -0.15 -0.04 0.93 -0.03 1ox5A1 ILE 7 HD13 -0.41 -0.01 -0.09 -0.04 0.88 0.33 1ox5A1 ASP 8 H -0.10 0.73 0.22 -0.55 8.40 8.71 1ox5A1 ASP 8 HA -0.02 0.13 0.89 -0.75 4.63 4.88 1ox5A1 ASP 8 HB2 -0.01 0.07 -0.12 -0.04 2.71 2.61 1ox5A1 ASP 8 HB3 0.01 -0.03 -0.02 -0.04 2.70 2.62 1ox5A1 VAL 9 H 0.02 0.27 0.09 -0.55 8.24 8.07 1ox5A1 VAL 9 HA 0.01 0.22 0.65 -0.75 4.13 4.26 1ox5A1 VAL 9 HB -0.07 -0.00 0.12 -0.04 2.12 2.13 1ox5A1 VAL 9 HG13 -0.21 0.02 -0.10 -0.04 0.97 0.64 1ox5A1 VAL 9 HG23 0.15 -0.00 -0.03 -0.04 0.95 1.03 1ox5A1 GLU 10 H 0.04 -0.02 -0.55 -0.55 8.60 7.53 1ox5A1 GLU 10 HA 0.06 0.00 0.20 -0.75 4.29 3.79 1ox5A1 GLU 10 HB2 0.05 0.12 -0.03 -0.04 2.09 2.18 1ox5A1 GLU 10 HB3 0.05 -0.04 0.12 -0.04 1.99 2.08 1ox5A1 GLU 10 HG2 0.04 -0.02 -0.05 -0.04 2.34 2.26 1ox5A1 GLU 10 HG3 0.04 0.11 -0.25 -0.04 2.34 2.20 1ox5A1 SER 11 H 0.10 0.15 -0.19 -0.55 8.46 7.97 1ox5A1 SER 11 HA 0.22 0.05 0.69 -0.75 4.49 4.70 1ox5A1 SER 11 HB2 0.15 0.14 -0.20 -0.04 3.95 4.00 1ox5A1 SER 11 HB3 0.18 -0.01 -0.08 -0.04 3.93 3.98 1ox5A1 GLY 12 H 0.33 0.07 0.03 -0.55 8.43 8.32 1ox5A1 GLY 12 HA2 0.08 -0.01 0.24 -0.51 4.01 3.82 1ox5A1 GLY 12 HA3 0.12 0.17 0.39 -0.51 4.01 4.18 1ox5A1 ASN 13 H -0.06 0.14 0.05 -0.55 8.53 8.12 1ox5A1 ASN 13 HA 0.04 0.12 0.49 -0.75 4.76 4.66 1ox5A1 ASN 13 HB2 0.00 0.33 0.08 -0.04 2.88 3.25 1ox5A1 ASN 13 HB3 -0.06 -0.05 0.12 -0.04 2.79 2.76 1ox5A1 ASN 13 HD21 -0.01 0.04 -0.07 -0.04 7.03 6.95 1ox5A1 ASN 13 HD22 -0.05 -0.01 -0.12 -0.04 7.74 7.51 1ox5A1 LEU 14 H 0.03 0.20 0.22 -0.55 8.37 8.27 1ox5A1 LEU 14 HA 0.01 0.18 0.77 -0.75 4.35 4.56 1ox5A1 LEU 14 HB2 0.03 0.09 -0.14 -0.04 1.64 1.57 1ox5A1 LEU 14 HB3 0.02 0.03 -0.03 -0.04 1.64 1.63 1ox5A1 LEU 14 HG 0.01 -0.06 0.02 -0.04 1.64 1.57 1ox5A1 LEU 14 HD13 -0.00 0.02 -0.02 -0.04 0.93 0.88 1ox5A1 LEU 14 HD23 0.01 -0.00 -0.08 -0.04 0.89 0.78 1ox5A1 GLN 15 H 0.02 0.07 0.05 -0.55 8.47 8.06 1ox5A1 GLN 15 HA 0.02 0.07 0.33 -0.75 4.36 4.03 1ox5A1 GLN 15 HB2 0.00 -0.05 0.01 -0.04 2.15 2.07 1ox5A1 GLN 15 HB3 -0.00 0.13 -0.09 -0.04 2.02 2.01 1ox5A1 GLN 15 HG2 0.01 -0.02 -0.06 -0.04 2.40 2.29 1ox5A1 GLN 15 HG3 -0.01 0.09 -0.46 -0.04 2.39 1.97 1ox5A1 GLN 15 HE21 0.01 -0.06 -0.00 -0.04 6.97 6.88 1ox5A1 GLN 15 HE22 0.01 0.07 0.05 -0.04 7.69 7.79 1ox5A1 SER 16 H 0.03 0.07 -0.21 -0.55 8.46 7.80 1ox5A1 SER 16 HA 0.12 0.28 0.36 -0.75 4.49 4.49 1ox5A1 SER 16 HB2 0.06 -0.10 -0.09 -0.04 3.95 3.78 1ox5A1 SER 16 HB3 0.15 0.17 -0.10 -0.04 3.93 4.11 1ox5A1 LEU 17 H 0.05 0.10 -0.36 -0.55 8.37 7.62 1ox5A1 LEU 17 HA 0.05 0.04 0.35 -0.75 4.35 4.03 1ox5A1 LEU 17 HB2 0.02 -0.03 0.02 -0.04 1.64 1.61 1ox5A1 LEU 17 HB3 0.01 0.09 0.05 -0.04 1.64 1.75 1ox5A1 LEU 17 HG -0.01 0.03 -0.23 -0.04 1.64 1.39 1ox5A1 LEU 17 HD13 -0.03 -0.01 -0.04 -0.04 0.93 0.81 1ox5A1 LEU 17 HD23 -0.05 0.00 -0.06 -0.04 0.89 0.74 1ox5A1 THR 18 H 0.05 0.46 -0.14 -0.55 8.28 8.10 1ox5A1 THR 18 HA 0.04 0.01 0.32 -0.75 4.39 4.00 1ox5A1 THR 18 HB 0.05 0.04 -0.02 -0.04 4.32 4.34 1ox5A1 THR 18 HG23 0.02 -0.02 -0.01 -0.04 1.22 1.17 1ox5A1 ASN 19 H 0.11 0.68 -0.07 -0.55 8.53 8.69 1ox5A1 ASN 19 HA 0.13 -0.04 0.39 -0.75 4.76 4.49 1ox5A1 ASN 19 HB2 0.20 0.14 0.12 -0.04 2.88 3.30 1ox5A1 ASN 19 HB3 0.18 0.09 0.10 -0.04 2.79 3.12 1ox5A1 ASN 19 HD21 0.00 -0.14 -0.19 -0.04 7.03 6.66 1ox5A1 ASN 19 HD22 0.01 0.21 -0.30 -0.04 7.74 7.61 1ox5A1 ALA 20 H 0.19 0.45 -0.32 -0.55 8.40 8.18 1ox5A1 ALA 20 HA -0.16 0.03 0.37 -0.75 4.34 3.82 1ox5A1 ALA 20 HB3 -0.14 0.02 0.06 -0.04 1.41 1.31 1ox5A1 ILE 21 H 0.06 0.50 -0.19 -0.55 8.25 8.07 1ox5A1 ILE 21 HA 0.00 0.04 0.36 -0.75 4.18 3.83 1ox5A1 ILE 21 HB 0.04 0.09 0.08 -0.04 1.89 2.06 1ox5A1 ILE 21 HG12 -0.05 -0.03 -0.09 -0.04 1.49 1.28 1ox5A1 ILE 21 HG13 -0.00 0.16 0.00 -0.04 1.21 1.33 1ox5A1 ILE 21 HG23 0.01 -0.01 -0.27 -0.04 0.93 0.61 1ox5A1 ILE 21 HD13 -0.01 -0.03 -0.17 -0.04 0.88 0.62 1ox5A1 GLU 22 H 0.11 0.57 -0.05 -0.55 8.60 8.68 1ox5A1 GLU 22 HA 0.11 0.37 0.51 -0.75 4.29 4.52 1ox5A1 GLU 22 HB2 0.12 0.07 0.13 -0.04 2.09 2.37 1ox5A1 GLU 22 HB3 0.09 -0.07 0.06 -0.04 1.99 2.03 1ox5A1 GLU 22 HG2 0.07 0.01 0.10 -0.04 2.34 2.48 1ox5A1 GLU 22 HG3 0.08 0.23 0.08 -0.04 2.34 2.68 1ox5A1 HIS 23 H 0.23 0.55 -0.23 -0.55 8.41 8.41 1ox5A1 HIS 23 HA 0.10 -0.03 0.41 -0.75 4.63 4.35 1ox5A1 HIS 23 HB2 0.20 0.08 0.15 -0.04 3.26 3.66 1ox5A1 HIS 23 HB3 0.05 0.12 0.14 -0.04 3.20 3.47 1ox5A1 HIS 23 HD2 -0.04 0.00 -0.08 -0.04 6.97 6.80 1ox5A1 HIS 23 HE1 0.12 -0.08 0.03 -0.04 7.75 7.78 1ox5A1 LEU 24 H 0.11 0.29 -0.65 -0.55 8.37 7.58 1ox5A1 LEU 24 HA -0.04 0.05 0.62 -0.75 4.35 4.23 1ox5A1 LEU 24 HB2 0.12 0.16 0.10 -0.04 1.64 1.98 1ox5A1 LEU 24 HB3 0.19 -0.07 0.08 -0.04 1.64 1.81 1ox5A1 LEU 24 HG 0.04 0.17 -0.01 -0.04 1.64 1.79 1ox5A1 LEU 24 HD13 -0.01 -0.02 -0.08 -0.04 0.93 0.78 1ox5A1 LEU 24 HD23 0.02 -0.02 -0.03 -0.04 0.89 0.82 1ox5A1 GLY 25 H 0.08 0.44 -0.42 -0.55 8.43 7.99 1ox5A1 GLY 25 HA2 -0.02 -0.00 0.28 -0.51 4.01 3.75 1ox5A1 GLY 25 HA3 -0.07 0.05 0.63 -0.51 4.01 4.10 1ox5A1 TYR 26 H 0.24 0.31 0.09 -0.55 8.29 8.39 1ox5A1 TYR 26 HA -0.04 0.21 0.87 -0.75 4.56 4.84 1ox5A1 TYR 26 HB2 0.01 -0.01 -0.17 -0.04 3.06 2.85 1ox5A1 TYR 26 HB3 -0.01 0.06 -0.05 -0.04 2.98 2.94 1ox5A1 TYR 26 HD2 -0.00 -0.01 -0.38 -0.04 7.15 6.71 1ox5A1 TYR 26 HE2 -0.01 0.04 -0.10 -0.04 6.85 6.74 1ox5A1 GLU 27 H 0.07 0.63 0.17 -0.55 8.60 8.93 1ox5A1 GLU 27 HA 0.04 0.09 0.78 -0.75 4.29 4.45 1ox5A1 GLU 27 HB2 -0.04 -0.01 -0.09 -0.04 2.09 1.91 1ox5A1 GLU 27 HB3 0.00 0.00 -0.05 -0.04 1.99 1.90 1ox5A1 GLU 27 HG2 0.02 0.08 -0.17 -0.04 2.34 2.24 1ox5A1 GLU 27 HG3 0.06 -0.04 0.04 -0.04 2.34 2.36 1ox5A1 VAL 28 H 0.03 0.14 0.14 -0.55 8.24 8.00 1ox5A1 VAL 28 HA -0.01 0.34 0.95 -0.75 4.13 4.64 1ox5A1 VAL 28 HB 0.02 -0.05 0.10 -0.04 2.12 2.14 1ox5A1 VAL 28 HG13 -0.01 -0.02 -0.17 -0.04 0.97 0.74 1ox5A1 VAL 28 HG23 0.04 0.01 -0.08 -0.04 0.95 0.88 1ox5A1 GLN 29 H -0.12 0.69 0.29 -0.55 8.47 8.78 1ox5A1 GLN 29 HA -0.05 0.09 0.86 -0.75 4.36 4.50 1ox5A1 GLN 29 HB2 -0.20 0.02 -0.07 -0.04 2.15 1.85 1ox5A1 GLN 29 HB3 -0.60 0.00 0.05 -0.04 2.02 1.43 1ox5A1 GLN 29 HG2 -0.09 0.01 -0.02 -0.04 2.40 2.26 1ox5A1 GLN 29 HG3 -0.02 0.00 -0.22 -0.04 2.39 2.11 1ox5A1 GLN 29 HE21 0.04 -0.11 0.08 -0.04 6.97 6.94 1ox5A1 GLN 29 HE22 0.06 0.26 -0.04 -0.04 7.69 7.93 1ox5A1 LEU 30 H -0.01 0.13 0.10 -0.55 8.37 8.05 1ox5A1 LEU 30 HA -0.02 0.26 0.70 -0.75 4.35 4.54 1ox5A1 LEU 30 HB2 0.02 -0.03 0.13 -0.04 1.64 1.71 1ox5A1 LEU 30 HB3 0.01 -0.02 -0.00 -0.04 1.64 1.59 1ox5A1 LEU 30 HG 0.00 0.00 -0.03 -0.04 1.64 1.57 1ox5A1 LEU 30 HD13 0.01 -0.01 -0.02 -0.04 0.93 0.88 1ox5A1 LEU 30 HD23 -0.00 0.01 -0.07 -0.04 0.89 0.78 1ox5A1 VAL 31 H -0.03 0.72 0.33 -0.55 8.24 8.71 1ox5A1 VAL 31 HA 0.10 0.11 0.86 -0.75 4.13 4.45 1ox5A1 VAL 31 HB -0.18 -0.06 0.04 -0.04 2.12 1.88 1ox5A1 VAL 31 HG13 0.01 -0.03 -0.22 -0.04 0.97 0.69 1ox5A1 VAL 31 HG23 0.01 0.07 -0.25 -0.04 0.95 0.74 1ox5A1 LYS 32 H 0.10 0.18 0.11 -0.55 8.42 8.25 1ox5A1 LYS 32 HA 0.11 0.45 0.83 -0.75 4.32 4.96 1ox5A1 LYS 32 HB2 0.07 -0.04 0.08 -0.04 1.87 1.94 1ox5A1 LYS 32 HB3 0.08 0.02 0.10 -0.04 1.79 1.94 1ox5A1 LYS 32 HG2 0.04 0.05 0.00 -0.04 1.46 1.52 1ox5A1 LYS 32 HG3 0.05 -0.05 -0.11 -0.04 1.46 1.31 1ox5A1 LYS 32 HD2 0.04 0.00 -0.01 -0.04 1.69 1.68 1ox5A1 LYS 32 HD3 0.04 0.00 -0.01 -0.04 1.68 1.67 1ox5A1 LYS 32 HE2 0.03 -0.01 -0.02 -0.04 2.99 2.95 1ox5A1 LYS 32 HE3 0.03 -0.03 -0.03 -0.04 2.99 2.92 1ox5A1 SER 33 H 0.19 0.09 0.06 -0.55 8.46 8.25 1ox5A1 SER 33 HA -0.07 0.32 0.73 -0.75 4.49 4.71 1ox5A1 SER 33 HB2 0.02 0.12 -0.07 -0.04 3.95 3.98 1ox5A1 SER 33 HB3 0.04 -0.08 0.03 -0.04 3.93 3.89 1ox5A1 PRO 34 HA 0.12 0.10 0.35 -0.51 4.44 4.50 1ox5A1 PRO 34 HB2 -0.16 -0.01 0.02 -0.04 2.28 2.09 1ox5A1 PRO 34 HB3 -0.15 0.04 0.10 -0.04 2.02 1.97 1ox5A1 PRO 34 HG2 -0.40 0.19 0.07 -0.04 2.03 1.85 1ox5A1 PRO 34 HG3 -1.22 -0.05 -0.29 -0.04 2.03 0.43 1ox5A1 PRO 34 HD2 -0.27 0.08 0.24 -0.04 3.68 3.69 1ox5A1 PRO 34 HD3 -0.72 0.17 0.16 -0.04 3.65 3.23 1ox5A1 LYS 35 H -0.02 0.02 -0.52 -0.55 8.42 7.35 1ox5A1 LYS 35 HA -0.00 0.14 0.50 -0.75 4.32 4.21 1ox5A1 LYS 35 HB2 0.01 -0.03 -0.02 -0.04 1.87 1.80 1ox5A1 LYS 35 HB3 0.01 0.01 0.03 -0.04 1.79 1.81 1ox5A1 LYS 35 HG2 -0.03 0.03 -0.00 -0.04 1.46 1.42 1ox5A1 LYS 35 HG3 -0.04 -0.01 -0.00 -0.04 1.46 1.37 1ox5A1 LYS 35 HD2 -0.01 -0.00 -0.00 -0.04 1.69 1.63 1ox5A1 LYS 35 HD3 -0.01 -0.01 -0.00 -0.04 1.68 1.62 1ox5A1 LYS 35 HE2 -0.02 -0.00 -0.00 -0.04 2.99 2.92 1ox5A1 LYS 35 HE3 -0.03 0.03 0.01 -0.04 2.99 2.95 1ox5A1 ASP 36 H 0.16 0.46 -0.21 -0.55 8.40 8.25 1ox5A1 ASP 36 HA 0.12 0.10 0.54 -0.75 4.63 4.64 1ox5A1 ASP 36 HB2 0.19 0.04 0.18 -0.04 2.71 3.07 1ox5A1 ASP 36 HB3 0.15 0.10 0.23 -0.04 2.70 3.13 1ox5A1 PHE 37 H 0.30 0.32 -0.47 -0.55 8.34 7.94 1ox5A1 PHE 37 HA 0.05 0.07 0.46 -0.75 4.62 4.45 1ox5A1 PHE 37 HB2 -0.13 0.05 -0.02 -0.04 3.15 3.01 1ox5A1 PHE 37 HB3 0.13 0.01 -0.39 -0.04 3.06 2.78 1ox5A1 PHE 37 HD2 -0.04 0.01 -0.16 -0.04 7.28 7.05 1ox5A1 PHE 37 HE2 0.04 -0.01 -0.13 -0.04 7.38 7.24 1ox5A1 PHE 37 HZ 0.13 -0.06 -0.23 -0.04 7.32 7.12 1ox5A1 ASN 38 H -0.05 0.22 0.08 -0.55 8.53 8.24 1ox5A1 ASN 38 HA -0.33 0.21 0.83 -0.75 4.76 4.71 1ox5A1 ASN 38 HB2 -0.09 -0.05 0.09 -0.04 2.88 2.78 1ox5A1 ASN 38 HB3 -0.08 0.09 -0.04 -0.04 2.79 2.72 1ox5A1 ASN 38 HD21 0.03 0.07 -0.00 -0.04 7.03 7.08 1ox5A1 ASN 38 HD22 0.01 0.04 -0.02 -0.04 7.74 7.73 1ox5A1 ILE 39 H -0.18 0.14 0.11 -0.55 8.25 7.78 1ox5A1 ILE 39 HA 0.07 0.16 0.35 -0.75 4.18 4.00 1ox5A1 ILE 39 HB -0.04 -0.08 0.11 -0.04 1.89 1.84 1ox5A1 ILE 39 HG12 -0.13 -0.08 0.10 -0.04 1.49 1.35 1ox5A1 ILE 39 HG13 -0.04 0.03 -0.04 -0.04 1.21 1.13 1ox5A1 ILE 39 HG23 0.01 0.04 -0.08 -0.04 0.93 0.87 1ox5A1 ILE 39 HD13 -0.06 0.00 -0.08 -0.04 0.88 0.70 1ox5A1 SER 40 H -0.03 0.02 -0.04 -0.55 8.46 7.86 1ox5A1 SER 40 HA -0.00 0.18 0.40 -0.75 4.49 4.32 1ox5A1 SER 40 HB2 -0.00 0.05 0.06 -0.04 3.95 4.01 1ox5A1 SER 40 HB3 -0.02 -0.01 0.09 -0.04 3.93 3.95 1ox5A1 GLY 41 H -0.01 0.03 -0.51 -0.55 8.43 7.40 1ox5A1 GLY 41 HA2 0.05 0.14 0.58 -0.51 4.01 4.27 1ox5A1 GLY 41 HA3 0.04 -0.08 0.27 -0.51 4.01 3.73 1ox5A1 THR 42 H 0.06 0.44 -0.40 -0.55 8.28 7.84 1ox5A1 THR 42 HA -0.02 0.09 0.90 -0.75 4.39 4.60 1ox5A1 THR 42 HB 0.24 0.08 0.08 -0.04 4.32 4.68 1ox5A1 THR 42 HG23 -0.11 -0.02 -0.22 -0.04 1.22 0.83 1ox5A1 SER 43 H 0.19 0.13 0.15 -0.55 8.46 8.39 1ox5A1 SER 43 HA 0.15 0.22 0.91 -0.75 4.49 5.01 1ox5A1 SER 43 HB2 0.08 0.02 0.11 -0.04 3.95 4.12 1ox5A1 SER 43 HB3 0.09 -0.02 -0.00 -0.04 3.93 3.95 1ox5A1 ARG 44 H 0.21 0.02 0.12 -0.55 8.46 8.26 1ox5A1 ARG 44 HA 0.18 0.32 0.80 -0.75 4.34 4.88 1ox5A1 ARG 44 HB2 0.11 -0.02 0.21 -0.04 1.90 2.16 1ox5A1 ARG 44 HB3 0.10 -0.02 -0.02 -0.04 1.80 1.81 1ox5A1 ARG 44 HG2 0.06 -0.09 -0.42 -0.04 1.67 1.18 1ox5A1 ARG 44 HG3 0.00 -0.01 -0.05 -0.04 1.67 1.58 1ox5A1 ARG 44 HD2 -0.45 -0.09 -0.01 -0.04 3.22 2.63 1ox5A1 ARG 44 HD3 -0.11 0.17 0.20 -0.04 3.22 3.44 1ox5A1 LEU 45 H 0.20 0.67 0.21 -0.55 8.37 8.90 1ox5A1 LEU 45 HA -0.05 0.27 1.06 -0.75 4.35 4.88 1ox5A1 LEU 45 HB2 -0.76 -0.02 -0.10 -0.04 1.64 0.72 1ox5A1 LEU 45 HB3 -0.45 0.07 0.10 -0.04 1.64 1.32 1ox5A1 LEU 45 HG -0.24 -0.05 -0.28 -0.04 1.64 1.03 1ox5A1 LEU 45 HD13 -0.34 0.03 -0.08 -0.04 0.93 0.50 1ox5A1 LEU 45 HD23 -0.44 -0.01 -0.12 -0.04 0.89 0.27 1ox5A1 ILE 46 H -0.07 0.69 0.39 -0.55 8.25 8.71 1ox5A1 ILE 46 HA -0.15 0.20 1.10 -0.75 4.18 4.57 1ox5A1 ILE 46 HB -0.07 -0.04 0.12 -0.04 1.89 1.86 1ox5A1 ILE 46 HG12 -0.09 0.05 -0.14 -0.04 1.49 1.27 1ox5A1 ILE 46 HG13 0.06 0.01 -0.41 -0.04 1.21 0.83 1ox5A1 ILE 46 HG23 -0.15 -0.01 -0.16 -0.04 0.93 0.57 1ox5A1 ILE 46 HD13 -0.00 -0.01 -0.15 -0.04 0.88 0.67 1ox5A1 LEU 47 H -0.17 0.88 0.32 -0.55 8.37 8.85 1ox5A1 LEU 47 HA -0.11 0.15 0.89 -0.75 4.35 4.54 1ox5A1 LEU 47 HB2 -0.08 0.01 -0.02 -0.04 1.64 1.50 1ox5A1 LEU 47 HB3 -0.09 -0.01 0.19 -0.04 1.64 1.69 1ox5A1 LEU 47 HG 0.05 -0.08 -0.07 -0.04 1.64 1.50 1ox5A1 LEU 47 HD13 0.01 0.02 -0.05 -0.04 0.93 0.87 1ox5A1 LEU 47 HD23 0.06 0.02 -0.04 -0.04 0.89 0.89 1ox5A1 PRO 48 HA -0.19 0.00 0.75 -0.51 4.44 4.49 1ox5A1 PRO 48 HB2 -0.08 0.04 -0.02 -0.04 2.28 2.19 1ox5A1 PRO 48 HB3 -0.09 -0.03 0.05 -0.04 2.02 1.91 1ox5A1 PRO 48 HG2 -0.04 0.05 0.18 -0.04 2.03 2.19 1ox5A1 PRO 48 HG3 -0.06 -0.02 0.04 -0.04 2.03 1.95 1ox5A1 PRO 48 HD2 -0.09 0.15 0.37 -0.04 3.68 4.06 1ox5A1 PRO 48 HD3 -0.10 0.12 -0.26 -0.04 3.65 3.37 1ox5A1 GLY 49 H -0.31 0.52 0.45 -0.55 8.43 8.53 1ox5A1 GLY 49 HA2 -1.06 0.15 0.89 -0.51 4.01 3.48 1ox5A1 GLY 49 HA3 -1.00 -0.10 0.44 -0.51 4.01 2.83 1ox5A1 VAL 50 H -0.38 0.27 0.11 -0.55 8.24 7.70 1ox5A1 VAL 50 HA -0.07 0.13 0.58 -0.75 4.13 4.02 1ox5A1 VAL 50 HB 0.01 -0.04 -0.09 -0.04 2.12 1.96 1ox5A1 VAL 50 HG13 -0.07 -0.01 0.09 -0.04 0.97 0.94 1ox5A1 VAL 50 HG23 -0.03 0.06 -0.37 -0.04 0.95 0.57 1ox5A1 GLY 51 H -0.02 0.15 0.14 -0.55 8.43 8.16 1ox5A1 GLY 51 HA2 -0.01 0.43 0.33 -0.51 4.01 4.25 1ox5A1 GLY 51 HA3 -0.10 0.17 0.70 -0.51 4.01 4.27 1ox5A1 ASN 52 H -0.15 0.46 0.00 -0.55 8.53 8.30 1ox5A1 ASN 52 HA -0.01 -0.04 0.40 -0.75 4.76 4.35 1ox5A1 ASN 52 HB2 -0.05 0.06 -0.09 -0.04 2.88 2.75 1ox5A1 ASN 52 HB3 -0.06 0.13 0.14 -0.04 2.79 2.97 1ox5A1 ASN 52 HD21 -0.05 0.13 0.04 -0.04 7.03 7.11 1ox5A1 ASN 52 HD22 -0.03 0.04 0.07 -0.04 7.74 7.79 1ox5A1 TYR 53 H 0.04 0.10 0.13 -0.55 8.29 8.01 1ox5A1 TYR 53 HA -0.02 0.15 0.30 -0.75 4.56 4.25 1ox5A1 TYR 53 HB2 -0.17 0.03 0.09 -0.04 3.06 2.97 1ox5A1 TYR 53 HB3 -0.17 -0.11 0.06 -0.04 2.98 2.71 1ox5A1 TYR 53 HD2 -0.10 -0.01 -0.17 -0.04 7.15 6.83 1ox5A1 TYR 53 HE2 -0.06 0.10 -0.47 -0.04 6.85 6.38 1ox5A1 GLY 54 H 0.09 0.10 -0.13 -0.55 8.43 7.94 1ox5A1 GLY 54 HA2 -0.04 0.08 0.43 -0.51 4.01 3.97 1ox5A1 GLY 54 HA3 0.02 0.07 0.29 -0.51 4.01 3.88 1ox5A1 HIS 55 H 0.08 0.09 -0.26 -0.55 8.41 7.77 1ox5A1 HIS 55 HA -0.08 0.01 0.38 -0.75 4.63 4.19 1ox5A1 HIS 55 HB2 -0.08 -0.02 0.18 -0.04 3.26 3.29 1ox5A1 HIS 55 HB3 -0.09 0.15 0.17 -0.04 3.20 3.39 1ox5A1 HIS 55 HD2 -0.10 0.10 -0.22 -0.04 6.97 6.70 1ox5A1 HIS 55 HE1 -0.13 -0.05 0.01 -0.04 7.75 7.53 1ox5A1 PHE 56 H 0.06 0.31 -0.47 -0.55 8.34 7.68 1ox5A1 PHE 56 HA -0.16 0.12 0.65 -0.75 4.62 4.48 1ox5A1 PHE 56 HB2 -0.08 0.12 -0.03 -0.04 3.15 3.12 1ox5A1 PHE 56 HB3 -0.25 0.05 0.10 -0.04 3.06 2.92 1ox5A1 PHE 56 HD2 -0.22 0.01 -0.04 -0.04 7.28 6.99 1ox5A1 PHE 56 HE2 -0.15 0.05 -0.08 -0.04 7.38 7.16 1ox5A1 PHE 56 HZ -0.16 0.04 -0.19 -0.04 7.32 6.98 1ox5A1 VAL 57 H -0.31 0.67 0.18 -0.55 8.24 8.23 1ox5A1 VAL 57 HA -0.76 0.02 0.37 -0.75 4.13 3.02 1ox5A1 VAL 57 HB -0.47 -0.05 0.13 -0.04 2.12 1.69 1ox5A1 VAL 57 HG13 -0.90 0.14 -0.02 -0.04 0.97 0.15 1ox5A1 VAL 57 HG23 -0.87 0.05 0.05 -0.04 0.95 0.15 1ox5A1 ASP 58 H -0.27 0.62 -0.12 -0.55 8.40 8.08 1ox5A1 ASP 58 HA -0.16 0.00 0.40 -0.75 4.63 4.13 1ox5A1 ASP 58 HB2 -0.16 0.10 0.09 -0.04 2.71 2.71 1ox5A1 ASP 58 HB3 -0.10 -0.04 -0.01 -0.04 2.70 2.51 1ox5A1 ASN 59 H -0.27 0.29 -0.28 -0.55 8.53 7.72 1ox5A1 ASN 59 HA -0.13 -0.02 0.36 -0.75 4.76 4.22 1ox5A1 ASN 59 HB2 -0.31 0.18 0.24 -0.04 2.88 2.94 1ox5A1 ASN 59 HB3 -0.31 0.12 0.20 -0.04 2.79 2.76 1ox5A1 ASN 59 HD21 -0.07 0.11 0.07 -0.04 7.03 7.09 1ox5A1 ASN 59 HD22 -0.25 0.01 0.08 -0.04 7.74 7.54 1ox5A1 LEU 60 H -0.44 0.61 -0.15 -0.55 8.37 7.85 1ox5A1 LEU 60 HA -0.07 0.05 0.36 -0.75 4.35 3.93 1ox5A1 LEU 60 HB2 -0.89 0.08 0.03 -0.04 1.64 0.82 1ox5A1 LEU 60 HB3 -0.44 0.06 0.12 -0.04 1.64 1.34 1ox5A1 LEU 60 HG 0.18 -0.12 -0.25 -0.04 1.64 1.41 1ox5A1 LEU 60 HD13 -0.39 0.01 -0.07 -0.04 0.93 0.44 1ox5A1 LEU 60 HD23 -0.12 0.01 -0.11 -0.04 0.89 0.63 1ox5A1 PHE 61 H 0.01 0.75 -0.00 -0.55 8.34 8.54 1ox5A1 PHE 61 HA 0.01 -0.18 0.54 -0.75 4.62 4.24 1ox5A1 PHE 61 HB2 -0.06 0.16 0.15 -0.04 3.15 3.35 1ox5A1 PHE 61 HB3 -0.03 -0.05 0.05 -0.04 3.06 3.00 1ox5A1 PHE 61 HD2 -0.03 -0.08 -0.17 -0.04 7.28 6.96 1ox5A1 PHE 61 HE2 -0.00 0.04 -0.19 -0.04 7.38 7.19 1ox5A1 PHE 61 HZ 0.02 0.02 -0.24 -0.04 7.32 7.07 1ox5A1 ASN 62 H 0.05 0.62 -0.20 -0.55 8.53 8.45 1ox5A1 ASN 62 HA 0.03 -0.02 0.39 -0.75 4.76 4.41 1ox5A1 ASN 62 HB2 -0.03 0.34 0.17 -0.04 2.88 3.32 1ox5A1 ASN 62 HB3 -0.01 0.03 0.00 -0.04 2.79 2.77 1ox5A1 ASN 62 HD21 -0.02 -0.07 -0.02 -0.04 7.03 6.87 1ox5A1 ASN 62 HD22 -0.04 0.01 -0.12 -0.04 7.74 7.54 1ox5A1 ARG 63 H 0.08 0.39 -0.28 -0.55 8.46 8.10 1ox5A1 ARG 63 HA -0.02 0.05 0.53 -0.75 4.34 4.15 1ox5A1 ARG 63 HB2 0.31 0.09 0.11 -0.04 1.90 2.36 1ox5A1 ARG 63 HB3 0.00 -0.06 0.17 -0.04 1.80 1.88 1ox5A1 ARG 63 HG2 0.04 -0.10 0.05 -0.04 1.67 1.62 1ox5A1 ARG 63 HG3 0.06 0.32 0.15 -0.04 1.67 2.15 1ox5A1 ARG 63 HD2 0.21 -0.04 0.02 -0.04 3.22 3.37 1ox5A1 ARG 63 HD3 0.17 0.19 0.15 -0.04 3.22 3.70 1ox5A1 GLY 64 H 0.02 0.32 -0.60 -0.55 8.43 7.62 1ox5A1 GLY 64 HA2 -0.06 0.03 0.31 -0.51 4.01 3.78 1ox5A1 GLY 64 HA3 -0.12 0.09 0.58 -0.51 4.01 4.05 1ox5A1 PHE 65 H 0.17 0.37 0.07 -0.55 8.34 8.40 1ox5A1 PHE 65 HA 0.06 0.16 0.59 -0.75 4.62 4.68 1ox5A1 PHE 65 HB2 0.04 0.21 -0.01 -0.04 3.15 3.35 1ox5A1 PHE 65 HB3 0.04 -0.05 -0.06 -0.04 3.06 2.96 1ox5A1 PHE 65 HD2 0.03 0.06 -0.04 -0.04 7.28 7.29 1ox5A1 PHE 65 HE2 -0.09 0.09 -0.26 -0.04 7.38 7.08 1ox5A1 PHE 65 HZ -0.03 -0.08 -0.74 -0.04 7.32 6.43 1ox5A1 GLU 66 H -0.13 0.10 -0.11 -0.55 8.60 7.92 1ox5A1 GLU 66 HA -0.18 0.08 0.25 -0.75 4.29 3.69 1ox5A1 GLU 66 HB2 -0.93 0.00 0.09 -0.04 2.09 1.21 1ox5A1 GLU 66 HB3 -0.35 -0.02 0.04 -0.04 1.99 1.62 1ox5A1 GLU 66 HG2 -0.31 0.00 -0.08 -0.04 2.34 1.91 1ox5A1 GLU 66 HG3 -1.25 0.01 -0.05 -0.04 2.34 1.01 1ox5A1 LYS 67 H -0.09 0.13 -0.11 -0.55 8.42 7.80 1ox5A1 LYS 67 HA -0.02 0.05 0.42 -0.75 4.32 4.02 1ox5A1 LYS 67 HB2 -0.04 0.10 0.06 -0.04 1.87 1.95 1ox5A1 LYS 67 HB3 -0.03 -0.00 0.01 -0.04 1.79 1.73 1ox5A1 LYS 67 HG2 -0.06 0.01 0.00 -0.04 1.46 1.38 1ox5A1 LYS 67 HG3 -0.08 -0.04 0.03 -0.04 1.46 1.33 1ox5A1 LYS 67 HD2 -0.05 -0.00 0.00 -0.04 1.69 1.60 1ox5A1 LYS 67 HD3 -0.05 0.03 0.01 -0.04 1.68 1.63 1ox5A1 LYS 67 HE2 -0.03 0.00 -0.01 -0.04 2.99 2.91 1ox5A1 LYS 67 HE3 -0.03 0.00 -0.01 -0.04 2.99 2.91 1ox5A1 PRO 68 HA 0.05 0.02 0.39 -0.51 4.44 4.39 1ox5A1 PRO 68 HB2 0.45 0.08 0.02 -0.04 2.28 2.80 1ox5A1 PRO 68 HB3 0.12 0.05 0.05 -0.04 2.02 2.20 1ox5A1 PRO 68 HG2 0.02 0.15 0.13 -0.04 2.03 2.29 1ox5A1 PRO 68 HG3 -0.02 -0.01 0.07 -0.04 2.03 2.03 1ox5A1 PRO 68 HD2 0.07 -0.01 -0.60 -0.04 3.68 3.09 1ox5A1 PRO 68 HD3 -0.02 0.01 0.03 -0.04 3.65 3.63 1ox5A1 ILE 69 H 0.20 0.62 -0.19 -0.55 8.25 8.33 1ox5A1 ILE 69 HA 0.24 0.04 0.37 -0.75 4.18 4.08 1ox5A1 ILE 69 HB 0.15 0.14 0.10 -0.04 1.89 2.24 1ox5A1 ILE 69 HG12 0.08 -0.02 -0.06 -0.04 1.49 1.45 1ox5A1 ILE 69 HG13 0.24 0.07 0.00 -0.04 1.21 1.48 1ox5A1 ILE 69 HG23 0.17 -0.01 -0.17 -0.04 0.93 0.87 1ox5A1 ILE 69 HD13 0.09 -0.03 -0.15 -0.04 0.88 0.75 1ox5A1 ARG 70 H 0.12 0.49 -0.09 -0.55 8.46 8.42 1ox5A1 ARG 70 HA 0.23 0.05 0.43 -0.75 4.34 4.30 1ox5A1 ARG 70 HB2 0.05 0.04 0.17 -0.04 1.90 2.12 1ox5A1 ARG 70 HB3 0.09 -0.03 0.00 -0.04 1.80 1.82 1ox5A1 ARG 70 HG2 0.17 -0.00 0.02 -0.04 1.67 1.81 1ox5A1 ARG 70 HG3 0.07 0.16 0.06 -0.04 1.67 1.92 1ox5A1 ARG 70 HD2 -0.03 -0.07 -0.07 -0.04 3.22 3.01 1ox5A1 ARG 70 HD3 -0.02 -0.01 -0.02 -0.04 3.22 3.12 1ox5A1 GLU 71 H 0.09 0.68 -0.10 -0.55 8.60 8.73 1ox5A1 GLU 71 HA 0.04 0.00 0.41 -0.75 4.29 3.98 1ox5A1 GLU 71 HB2 0.05 0.15 0.17 -0.04 2.09 2.41 1ox5A1 GLU 71 HB3 0.02 -0.05 -0.03 -0.04 1.99 1.89 1ox5A1 GLU 71 HG2 -0.00 -0.04 0.03 -0.04 2.34 2.29 1ox5A1 GLU 71 HG3 0.01 -0.02 0.03 -0.04 2.34 2.32 1ox5A1 TYR 72 H 0.23 0.41 -0.35 -0.55 8.29 8.04 1ox5A1 TYR 72 HA 0.04 0.01 0.46 -0.75 4.56 4.32 1ox5A1 TYR 72 HB2 0.17 0.01 0.07 -0.04 3.06 3.27 1ox5A1 TYR 72 HB3 0.13 0.12 0.12 -0.04 2.98 3.31 1ox5A1 TYR 72 HD2 0.09 -0.05 -0.16 -0.04 7.15 6.99 1ox5A1 TYR 72 HE2 0.08 0.21 -0.37 -0.04 6.85 6.73 1ox5A1 ILE 73 H 0.19 0.50 -0.09 -0.55 8.25 8.31 1ox5A1 ILE 73 HA 0.02 0.13 0.37 -0.75 4.18 3.95 1ox5A1 ILE 73 HB 0.12 0.06 0.17 -0.04 1.89 2.20 1ox5A1 ILE 73 HG12 0.05 0.00 -0.02 -0.04 1.49 1.48 1ox5A1 ILE 73 HG13 0.18 0.22 0.06 -0.04 1.21 1.63 1ox5A1 ILE 73 HG23 -0.14 -0.02 -0.10 -0.04 0.93 0.62 1ox5A1 ILE 73 HD13 -0.11 -0.04 -0.08 -0.04 0.88 0.60 1ox5A1 GLU 74 H 0.04 0.47 -0.29 -0.55 8.60 8.26 1ox5A1 GLU 74 HA -0.01 0.01 0.41 -0.75 4.29 3.95 1ox5A1 GLU 74 HB2 0.02 0.07 0.17 -0.04 2.09 2.30 1ox5A1 GLU 74 HB3 -0.00 -0.07 0.01 -0.04 1.99 1.88 1ox5A1 GLU 74 HG2 0.03 -0.06 0.03 -0.04 2.34 2.29 1ox5A1 GLU 74 HG3 0.07 0.03 0.02 -0.04 2.34 2.42 1ox5A1 SER 75 H -0.11 0.32 -0.43 -0.55 8.46 7.70 1ox5A1 SER 75 HA -0.08 -0.02 0.43 -0.75 4.49 4.06 1ox5A1 SER 75 HB2 -0.13 -0.10 0.13 -0.04 3.95 3.81 1ox5A1 SER 75 HB3 -0.13 0.06 0.18 -0.04 3.93 4.00 1ox5A1 GLY 76 H -0.13 0.33 -0.60 -0.55 8.43 7.48 1ox5A1 GLY 76 HA2 -0.08 -0.00 0.29 -0.51 4.01 3.70 1ox5A1 GLY 76 HA3 -0.08 0.02 0.50 -0.51 4.01 3.94 1ox5A1 LYS 77 H -0.32 0.10 -0.26 -0.55 8.42 7.39 1ox5A1 LYS 77 HA -0.07 0.14 0.70 -0.75 4.32 4.33 1ox5A1 LYS 77 HB2 -0.67 -0.04 0.03 -0.04 1.87 1.15 1ox5A1 LYS 77 HB3 -0.05 0.14 0.04 -0.04 1.79 1.88 1ox5A1 LYS 77 HG2 -0.07 -0.01 0.01 -0.04 1.46 1.36 1ox5A1 LYS 77 HG3 -0.15 -0.02 -0.11 -0.04 1.46 1.14 1ox5A1 LYS 77 HD2 0.02 0.08 0.17 -0.04 1.69 1.93 1ox5A1 LYS 77 HD3 -0.02 -0.11 0.04 -0.04 1.68 1.55 1ox5A1 LYS 77 HE2 -0.11 -0.13 0.00 -0.04 2.99 2.71 1ox5A1 LYS 77 HE3 -0.17 0.01 0.07 -0.04 2.99 2.85 1ox5A1 PRO 78 HA 0.22 0.18 0.56 -0.51 4.44 4.89 1ox5A1 PRO 78 HB2 -0.06 -0.04 0.17 -0.04 2.28 2.31 1ox5A1 PRO 78 HB3 -0.09 0.03 0.12 -0.04 2.02 2.03 1ox5A1 PRO 78 HG2 -0.07 0.06 0.17 -0.04 2.03 2.14 1ox5A1 PRO 78 HG3 0.00 0.01 0.17 -0.04 2.03 2.16 1ox5A1 PRO 78 HD2 0.06 0.33 0.31 -0.04 3.68 4.34 1ox5A1 PRO 78 HD3 -0.00 0.08 0.34 -0.04 3.65 4.02 1ox5A1 ILE 79 H 0.33 0.58 0.42 -0.55 8.25 9.03 1ox5A1 ILE 79 HA 0.24 0.31 0.96 -0.75 4.18 4.93 1ox5A1 ILE 79 HB 0.36 0.06 -0.09 -0.04 1.89 2.18 1ox5A1 ILE 79 HG12 -0.04 -0.04 -0.21 -0.04 1.49 1.16 1ox5A1 ILE 79 HG13 -0.03 0.01 -0.07 -0.04 1.21 1.08 1ox5A1 ILE 79 HG23 0.08 0.00 0.02 -0.04 0.93 0.99 1ox5A1 ILE 79 HD13 0.06 -0.03 -0.10 -0.04 0.88 0.77 1ox5A1 MET 80 H -0.20 0.56 0.40 -0.55 8.47 8.68 1ox5A1 MET 80 HA -0.52 0.42 1.06 -0.75 4.52 4.73 1ox5A1 MET 80 HB2 -2.53 0.06 -0.10 -0.04 2.15 -0.46 1ox5A1 MET 80 HB3 -0.73 -0.07 0.09 -0.04 2.03 1.28 1ox5A1 MET 80 HG2 -0.57 -0.05 -0.36 -0.04 2.63 1.61 1ox5A1 MET 80 HG3 -0.84 0.01 -0.11 -0.04 2.56 1.57 1ox5A1 MET 80 HE3 -0.26 -0.02 -0.14 -0.04 2.10 1.64 1ox5A1 GLY 81 H -0.39 0.58 0.46 -0.55 8.43 8.54 1ox5A1 GLY 81 HA2 -0.22 0.24 0.97 -0.51 4.01 4.49 1ox5A1 GLY 81 HA3 -0.20 0.10 0.16 -0.51 4.01 3.56 1ox5A1 ILE 82 H -0.27 0.65 0.28 -0.55 8.25 8.36 1ox5A1 ILE 82 HA -0.45 0.37 0.91 -0.75 4.18 4.26 1ox5A1 ILE 82 HB -0.24 -0.09 0.19 -0.04 1.89 1.70 1ox5A1 ILE 82 HG12 -0.36 0.09 -0.10 -0.04 1.49 1.08 1ox5A1 ILE 82 HG13 -0.31 -0.02 -0.47 -0.04 1.21 0.38 1ox5A1 ILE 82 HG23 -0.38 0.05 0.12 -0.04 0.93 0.68 1ox5A1 ILE 82 HD13 -0.14 -0.02 -0.07 -0.04 0.88 0.61 1ox5A1 VAL 84 HA -0.14 -0.12 0.19 -0.75 4.13 3.31 1ox5A1 VAL 84 HB -0.96 -0.03 -0.00 -0.04 2.12 1.08 1ox5A1 VAL 84 HG13 -0.15 -0.01 -0.04 -0.04 0.97 0.73 1ox5A1 VAL 84 HG23 -0.18 0.05 -0.27 -0.04 0.95 0.50 1ox5A1 GLY 85 H -0.34 0.74 -3.37 -0.55 8.43 4.91 1ox5A1 GLY 85 HA2 -0.10 0.07 0.31 -0.51 4.01 3.78 1ox5A1 GLY 85 HA3 -0.22 0.24 0.36 -0.51 4.01 3.88 1ox5A1 LEU 86 H -0.19 0.15 -0.37 -0.55 8.37 7.42 1ox5A1 LEU 86 HA -0.04 0.18 0.51 -0.75 4.35 4.25 1ox5A1 LEU 86 HB2 -0.21 0.08 -0.27 -0.04 1.64 1.19 1ox5A1 LEU 86 HB3 -0.17 0.03 -0.15 -0.04 1.64 1.32 1ox5A1 LEU 86 HG 0.12 -0.01 -0.23 -0.04 1.64 1.48 1ox5A1 LEU 86 HD13 -0.10 -0.01 -0.60 -0.04 0.93 0.18 1ox5A1 LEU 86 HD23 -0.06 -0.00 -0.39 -0.04 0.89 0.39 1ox5A1 GLN 87 H -0.05 0.09 -0.32 -0.55 8.47 7.65 1ox5A1 GLN 87 HA -0.05 0.04 0.27 -0.75 4.36 3.87 1ox5A1 GLN 87 HB2 0.18 0.12 -0.01 -0.04 2.15 2.40 1ox5A1 GLN 87 HB3 0.15 -0.07 -0.04 -0.04 2.02 2.03 1ox5A1 GLN 87 HG2 -0.14 -0.02 -0.05 -0.04 2.40 2.14 1ox5A1 GLN 87 HG3 -0.08 0.08 0.04 -0.04 2.39 2.39 1ox5A1 GLN 87 HE21 0.06 -0.04 -0.07 -0.04 6.97 6.88 1ox5A1 GLN 87 HE22 -0.06 0.02 -0.05 -0.04 7.69 7.55 1ox5A1 ALA 88 H 0.09 0.42 -0.51 -0.55 8.40 7.85 1ox5A1 ALA 88 HA 0.16 0.03 0.33 -0.75 4.34 4.11 1ox5A1 ALA 88 HB3 0.11 0.05 -0.01 -0.04 1.41 1.53 1ox5A1 LEU 89 H 0.21 0.36 -0.64 -0.55 8.37 7.75 1ox5A1 LEU 89 HA 0.25 0.03 0.39 -0.75 4.35 4.27 1ox5A1 LEU 89 HB2 -0.04 0.18 -0.02 -0.04 1.64 1.72 1ox5A1 LEU 89 HB3 -0.06 -0.09 -0.01 -0.04 1.64 1.44 1ox5A1 LEU 89 HG 0.06 0.11 0.01 -0.04 1.64 1.78 1ox5A1 LEU 89 HD13 0.01 -0.00 -0.11 -0.04 0.93 0.79 1ox5A1 LEU 89 HD23 0.06 -0.00 -0.08 -0.04 0.89 0.83 1ox5A1 PHE 90 H 0.41 0.37 -0.42 -0.55 8.34 8.15 1ox5A1 PHE 90 HA -0.17 0.19 0.71 -0.75 4.62 4.60 1ox5A1 PHE 90 HB2 -0.14 0.13 0.15 -0.04 3.15 3.26 1ox5A1 PHE 90 HB3 -0.29 0.20 0.34 -0.04 3.06 3.26 1ox5A1 PHE 90 HD2 -0.60 0.09 -0.04 -0.04 7.28 6.69 1ox5A1 PHE 90 HE2 -0.46 0.02 -0.18 -0.04 7.38 6.72 1ox5A1 PHE 90 HZ -0.23 -0.01 -0.15 -0.04 7.32 6.90 1ox5A1 ALA 91 H 0.03 0.47 0.23 -0.55 8.40 8.58 1ox5A1 ALA 91 HA 0.03 0.06 0.40 -0.75 4.34 4.08 1ox5A1 ALA 91 HB3 0.03 -0.03 -0.19 -0.04 1.41 1.18 1ox5A1 GLY 92 H -0.01 0.19 -0.18 -0.55 8.43 7.89 1ox5A1 GLY 92 HA2 -0.05 0.09 -0.06 -0.51 4.01 3.49 1ox5A1 GLY 92 HA3 -0.09 0.29 0.44 -0.51 4.01 4.14 1ox5A1 SER 93 H -0.53 0.41 0.04 -0.55 8.46 7.83 1ox5A1 SER 93 HA -0.38 0.16 0.88 -0.75 4.49 4.40 1ox5A1 SER 93 HB2 -1.07 0.12 -0.15 -0.04 3.95 2.81 1ox5A1 SER 93 HB3 -1.15 -0.04 -0.02 -0.04 3.93 2.68 1ox5A1 VAL 94 H -0.20 0.60 0.19 -0.55 8.24 8.29 1ox5A1 VAL 94 HA -0.11 0.14 0.43 -0.75 4.13 3.83 1ox5A1 VAL 94 HB -0.01 0.18 0.23 -0.04 2.12 2.48 1ox5A1 VAL 94 HG13 0.19 -0.03 -0.09 -0.04 0.97 1.00 1ox5A1 VAL 94 HG23 -0.01 0.01 0.08 -0.04 0.95 0.99 1ox5A1 GLU 95 H -0.60 -0.02 -0.42 -0.55 8.60 7.01 1ox5A1 GLU 95 HA -0.63 0.15 0.45 -0.75 4.29 3.50 1ox5A1 GLU 95 HB2 -2.20 0.00 0.04 -0.04 2.09 -0.10 1ox5A1 GLU 95 HB3 -0.57 -0.07 0.03 -0.04 1.99 1.33 1ox5A1 GLU 95 HG2 -0.23 -0.04 -0.04 -0.04 2.34 1.99 1ox5A1 GLU 95 HG3 -0.39 0.10 0.10 -0.04 2.34 2.11 1ox5A1 SER 96 H -0.24 0.26 -0.45 -0.55 8.46 7.48 1ox5A1 SER 96 HA -0.06 0.20 0.66 -0.75 4.49 4.54 1ox5A1 SER 96 HB2 0.11 0.02 0.14 -0.04 3.95 4.18 1ox5A1 SER 96 HB3 0.02 0.04 0.13 -0.04 3.93 4.08 1ox5A1 PRO 97 HA -0.06 0.10 0.37 -0.51 4.44 4.34 1ox5A1 PRO 97 HB2 -0.02 -0.03 0.07 -0.04 2.28 2.25 1ox5A1 PRO 97 HB3 -0.02 0.03 0.06 -0.04 2.02 2.05 1ox5A1 PRO 97 HG2 -0.02 0.03 0.06 -0.04 2.03 2.05 1ox5A1 PRO 97 HG3 -0.04 0.10 0.08 -0.04 2.03 2.12 1ox5A1 PRO 97 HD2 -0.04 0.06 0.08 -0.04 3.68 3.74 1ox5A1 PRO 97 HD3 -0.08 0.25 -0.36 -0.04 3.65 3.43 1ox5A1 LYS 98 H -0.01 0.03 -0.15 -0.55 8.42 7.73 1ox5A1 LYS 98 HA -0.00 0.15 0.51 -0.75 4.32 4.22 1ox5A1 LYS 98 HB2 -0.00 -0.05 0.02 -0.04 1.87 1.80 1ox5A1 LYS 98 HB3 0.00 0.02 0.08 -0.04 1.79 1.84 1ox5A1 LYS 98 HG2 -0.00 0.05 -0.01 -0.04 1.46 1.45 1ox5A1 LYS 98 HG3 -0.01 -0.06 -0.00 -0.04 1.46 1.35 1ox5A1 LYS 98 HD2 -0.00 -0.01 -0.00 -0.04 1.69 1.63 1ox5A1 LYS 98 HD3 0.00 0.01 0.00 -0.04 1.68 1.66 1ox5A1 LYS 98 HE2 -0.00 0.01 -0.01 -0.04 2.99 2.95 1ox5A1 LYS 98 HE3 -0.00 -0.01 -0.01 -0.04 2.99 2.93 1ox5A1 SER 99 H 0.01 0.33 -0.28 -0.55 8.46 7.97 1ox5A1 SER 99 HA 0.01 0.03 0.53 -0.75 4.49 4.31 1ox5A1 SER 99 HB2 0.15 0.12 0.12 -0.04 3.95 4.29 1ox5A1 SER 99 HB3 0.09 0.08 0.06 -0.04 3.93 4.12 1ox5A1 THR 100 H 0.00 0.05 0.16 -0.55 8.28 7.94 1ox5A1 THR 100 HA 0.07 0.32 0.93 -0.75 4.39 4.97 1ox5A1 THR 100 HB 0.08 0.01 -0.00 -0.04 4.32 4.36 1ox5A1 THR 100 HG23 0.20 -0.02 -0.09 -0.04 1.22 1.26 1ox5A1 GLY 101 H 0.12 0.29 0.14 -0.55 8.43 8.43 1ox5A1 GLY 101 HA2 0.12 0.08 0.74 -0.51 4.01 4.44 1ox5A1 GLY 101 HA3 0.19 0.22 0.16 -0.51 4.01 4.08 1ox5A1 LEU 102 H 0.21 0.95 0.30 -0.55 8.37 9.28 1ox5A1 LEU 102 HA 0.12 0.02 0.43 -0.75 4.35 4.16 1ox5A1 LEU 102 HB2 0.30 -0.00 0.08 -0.04 1.64 1.97 1ox5A1 LEU 102 HB3 0.14 -0.02 0.04 -0.04 1.64 1.76 1ox5A1 LEU 102 HG 0.35 0.03 -0.03 -0.04 1.64 1.95 1ox5A1 LEU 102 HD13 0.31 -0.01 -0.15 -0.04 0.93 1.04 1ox5A1 LEU 102 HD23 0.21 -0.01 -0.06 -0.04 0.89 0.99 1ox5A1 ASN 103 H 0.06 0.37 -0.57 -0.55 8.53 7.84 1ox5A1 ASN 103 HA -0.03 -0.01 -0.26 -0.75 4.76 3.70 1ox5A1 ASN 103 HB2 -0.00 0.04 -0.25 -0.04 2.88 2.63 1ox5A1 ASN 103 HB3 -0.08 0.12 -0.13 -0.04 2.79 2.66 1ox5A1 ASN 103 HD21 -0.01 -0.07 -0.04 -0.04 7.03 6.88 1ox5A1 ASN 103 HD22 -0.04 0.05 -0.01 -0.04 7.74 7.70 1ox5A1 TYR 104 H 0.06 0.44 -0.12 -0.55 8.29 8.13 1ox5A1 TYR 104 HA 0.09 0.10 0.49 -0.75 4.56 4.48 1ox5A1 TYR 104 HB2 0.03 0.02 0.06 -0.04 3.06 3.14 1ox5A1 TYR 104 HB3 0.40 -0.03 -0.05 -0.04 2.98 3.26 1ox5A1 TYR 104 HD2 0.11 -0.04 -0.02 -0.04 7.15 7.16 1ox5A1 TYR 104 HE2 0.07 -0.03 -0.05 -0.04 6.85 6.79 1ox5A1 ILE 105 H -0.25 0.43 -0.03 -0.55 8.25 7.85 1ox5A1 ILE 105 HA -0.31 0.13 0.64 -0.75 4.18 3.89 1ox5A1 ILE 105 HB -1.54 -0.04 -0.03 -0.04 1.89 0.23 1ox5A1 ILE 105 HG12 -1.58 0.09 -0.14 -0.04 1.49 -0.17 1ox5A1 ILE 105 HG13 -1.13 0.00 -0.36 -0.04 1.21 -0.32 1ox5A1 ILE 105 HG23 -0.77 -0.03 -0.15 -0.04 0.93 -0.05 1ox5A1 ILE 105 HD13 -1.61 -0.01 -0.16 -0.04 0.88 -0.94 1ox5A1 ASP 106 H -0.03 0.19 -0.06 -0.55 8.40 7.95 1ox5A1 ASP 106 HA -0.01 0.14 0.36 -0.75 4.63 4.37 1ox5A1 ASP 106 HB2 0.05 -0.00 0.12 -0.04 2.71 2.84 1ox5A1 ASP 106 HB3 0.04 0.11 -0.00 -0.04 2.70 2.81 1ox5A1 PHE 107 H -0.15 0.36 -0.24 -0.55 8.34 7.76 1ox5A1 PHE 107 HA 0.03 0.14 0.52 -0.75 4.62 4.56 1ox5A1 PHE 107 HB2 0.03 -0.02 0.12 -0.04 3.15 3.23 1ox5A1 PHE 107 HB3 0.03 0.07 -0.21 -0.04 3.06 2.90 1ox5A1 PHE 107 HD2 0.02 0.13 -0.25 -0.04 7.28 7.14 1ox5A1 PHE 107 HE2 0.01 -0.04 -0.15 -0.04 7.38 7.15 1ox5A1 PHE 107 HZ 0.15 -0.00 -0.22 -0.04 7.32 7.20 1ox5A1 LYS 108 H 0.25 0.15 0.09 -0.55 8.42 8.35 1ox5A1 LYS 108 HA -0.03 0.23 0.91 -0.75 4.32 4.67 1ox5A1 LYS 108 HB2 0.03 -0.03 -0.06 -0.04 1.87 1.77 1ox5A1 LYS 108 HB3 -0.08 0.01 -0.23 -0.04 1.79 1.45 1ox5A1 LYS 108 HG2 -0.03 -0.02 -0.48 -0.04 1.46 0.89 1ox5A1 LYS 108 HG3 0.03 -0.03 -0.23 -0.04 1.46 1.19 1ox5A1 LYS 108 HD2 -0.02 -0.03 -0.19 -0.04 1.69 1.41 1ox5A1 LYS 108 HD3 -0.09 -0.05 -0.41 -0.04 1.68 1.09 1ox5A1 LYS 108 HE2 -0.02 0.12 -0.30 -0.04 2.99 2.75 1ox5A1 LYS 108 HE3 -0.00 -0.05 -0.14 -0.04 2.99 2.76 1ox5A1 LEU 109 H -0.22 0.50 0.38 -0.55 8.37 8.48 1ox5A1 LEU 109 HA -0.11 0.12 0.55 -0.75 4.35 4.15 1ox5A1 LEU 109 HB2 -0.30 -0.10 0.15 -0.04 1.64 1.35 1ox5A1 LEU 109 HB3 -0.15 -0.01 -0.11 -0.04 1.64 1.32 1ox5A1 LEU 109 HG -0.64 0.01 -0.16 -0.04 1.64 0.80 1ox5A1 LEU 109 HD13 -0.47 0.03 0.04 -0.04 0.93 0.48 1ox5A1 LEU 109 HD23 -0.31 -0.05 -0.20 -0.04 0.89 0.29 1ox5A1 SER 110 H -0.06 0.55 0.42 -0.55 8.46 8.82 1ox5A1 SER 110 HA 0.07 0.07 0.90 -0.75 4.49 4.77 1ox5A1 SER 110 HB2 -0.02 0.03 0.13 -0.04 3.95 4.05 1ox5A1 SER 110 HB3 -0.00 0.04 -0.02 -0.04 3.93 3.91 1ox5A1 ARG 111 H 0.01 0.13 0.16 -0.55 8.46 8.21 1ox5A1 ARG 111 HA -0.56 0.18 0.75 -0.75 4.34 3.95 1ox5A1 ARG 111 HB2 -0.17 -0.10 0.07 -0.04 1.90 1.66 1ox5A1 ARG 111 HB3 -0.14 -0.00 0.09 -0.04 1.80 1.71 1ox5A1 ARG 111 HG2 -0.30 0.26 0.01 -0.04 1.67 1.61 1ox5A1 ARG 111 HG3 -0.93 -0.04 0.02 -0.04 1.67 0.67 1ox5A1 ARG 111 HD2 -0.16 -0.06 -0.01 -0.04 3.22 2.94 1ox5A1 ARG 111 HD3 -0.13 -0.00 0.01 -0.04 3.22 3.05 1ox5A1 PHE 112 H -0.31 0.58 0.33 -0.55 8.34 8.38 1ox5A1 PHE 112 HA -0.14 -0.01 0.39 -0.75 4.62 4.11 1ox5A1 PHE 112 HB2 -0.23 0.01 0.09 -0.04 3.15 2.99 1ox5A1 PHE 112 HB3 -0.14 0.09 -0.12 -0.04 3.06 2.85 1ox5A1 PHE 112 HD2 -0.28 -0.03 -0.02 -0.04 7.28 6.91 1ox5A1 PHE 112 HE2 -0.84 0.02 -0.19 -0.04 7.38 6.33 1ox5A1 PHE 112 HZ -1.80 -0.01 -0.20 -0.04 7.32 5.26 1ox5A1 ASP 113 H 0.09 0.10 0.15 -0.55 8.40 8.18 1ox5A1 ASP 113 HA -0.04 0.07 0.56 -0.75 4.63 4.47 1ox5A1 ASP 113 HB2 -0.02 0.06 0.15 -0.04 2.71 2.86 1ox5A1 ASP 113 HB3 -0.04 -0.00 0.22 -0.04 2.70 2.83 1ox5A1 ASP 114 H -0.07 0.17 0.20 -0.55 8.40 8.15 1ox5A1 ASP 114 HA -0.14 0.38 0.61 -0.75 4.63 4.73 1ox5A1 ASP 114 HB2 -0.10 0.11 0.23 -0.04 2.71 2.91 1ox5A1 ASP 114 HB3 -0.09 0.01 0.08 -0.04 2.70 2.65 1ox5A1 SER 115 H -0.07 -0.03 -0.28 -0.55 8.46 7.53 1ox5A1 SER 115 HA -0.05 0.15 0.46 -0.75 4.49 4.29 1ox5A1 SER 115 HB2 -0.03 0.03 0.05 -0.04 3.95 3.96 1ox5A1 SER 115 HB3 -0.04 -0.04 0.07 -0.04 3.93 3.89 1ox5A1 GLU 116 H -0.11 0.06 -0.20 -0.55 8.60 7.81 1ox5A1 GLU 116 HA -0.04 0.22 0.85 -0.75 4.29 4.57 1ox5A1 GLU 116 HB2 -0.04 0.00 0.06 -0.04 2.09 2.07 1ox5A1 GLU 116 HB3 -0.05 -0.04 -0.01 -0.04 1.99 1.86 1ox5A1 GLU 116 HG2 -0.10 -0.09 0.04 -0.04 2.34 2.14 1ox5A1 GLU 116 HG3 -0.20 0.18 -0.01 -0.04 2.34 2.27 1ox5A1 LYS 117 H -0.24 0.16 -0.08 -0.55 8.42 7.71 1ox5A1 LYS 117 HA -0.69 0.15 0.62 -0.75 4.32 3.65 1ox5A1 LYS 117 HB2 -1.27 0.10 0.04 -0.04 1.87 0.71 1ox5A1 LYS 117 HB3 -0.94 -0.06 -0.19 -0.04 1.79 0.56 1ox5A1 LYS 117 HG2 -0.44 -0.02 -0.01 -0.04 1.46 0.96 1ox5A1 LYS 117 HG3 -0.64 0.15 -0.32 -0.04 1.46 0.61 1ox5A1 LYS 117 HD2 -2.14 0.02 -0.27 -0.04 1.69 -0.75 1ox5A1 LYS 117 HD3 -0.65 -0.17 -0.13 -0.04 1.68 0.68 1ox5A1 LYS 117 HE2 -0.56 -0.01 -0.11 -0.04 2.99 2.27 1ox5A1 LYS 117 HE3 -0.51 0.20 0.00 -0.04 2.99 2.65 1ox5A1 PRO 118 HA -0.14 0.32 0.54 -0.51 4.44 4.65 1ox5A1 PRO 118 HB2 -0.06 0.03 -0.05 -0.04 2.28 2.16 1ox5A1 PRO 118 HB3 -0.08 -0.06 -0.39 -0.04 2.02 1.45 1ox5A1 PRO 118 HG2 -0.03 -0.01 0.00 -0.04 2.03 1.95 1ox5A1 PRO 118 HG3 -0.09 0.08 -0.12 -0.04 2.03 1.86 1ox5A1 PRO 118 HD2 -0.56 0.07 0.16 -0.04 3.68 3.31 1ox5A1 PRO 118 HD3 -0.72 0.11 0.14 -0.04 3.65 3.14 1ox5A1 VAL 119 H -0.10 0.57 0.35 -0.55 8.24 8.51 1ox5A1 VAL 119 HA -0.08 0.03 0.59 -0.75 4.13 3.91 1ox5A1 VAL 119 HB -0.10 0.00 0.09 -0.04 2.12 2.08 1ox5A1 VAL 119 HG13 -0.14 -0.02 0.00 -0.04 0.97 0.77 1ox5A1 VAL 119 HG23 -0.07 0.05 -0.46 -0.04 0.95 0.43 1ox5A1 PRO 120 HA -0.12 0.00 0.35 -0.51 4.44 4.16 1ox5A1 PRO 120 HB2 -0.08 0.10 -0.29 -0.04 2.28 1.97 1ox5A1 PRO 120 HB3 -0.06 -0.20 -0.20 -0.04 2.02 1.52 1ox5A1 PRO 120 HG2 -0.06 0.10 -0.14 -0.04 2.03 1.90 1ox5A1 PRO 120 HG3 -0.03 -0.12 -0.10 -0.04 2.03 1.73 1ox5A1 PRO 120 HD2 -0.06 0.35 0.30 -0.04 3.68 4.24 1ox5A1 PRO 120 HD3 -0.06 -0.04 0.30 -0.04 3.65 3.81 1ox5A1 GLU 121 H -0.31 0.60 0.28 -0.55 8.60 8.63 1ox5A1 GLU 121 HA -0.58 0.18 0.67 -0.75 4.29 3.82 1ox5A1 GLU 121 HB2 -1.60 0.02 0.06 -0.04 2.09 0.53 1ox5A1 GLU 121 HB3 -0.70 -0.05 0.13 -0.04 1.99 1.33 1ox5A1 GLU 121 HG2 -0.45 -0.00 -0.43 -0.04 2.34 1.42 1ox5A1 GLU 121 HG3 -1.32 0.06 -0.14 -0.04 2.34 0.90 1ox5A1 ILE 122 H -0.21 0.30 0.05 -0.55 8.25 7.84 1ox5A1 ILE 122 HA -0.22 0.26 1.00 -0.75 4.18 4.47 1ox5A1 ILE 122 HB -0.02 -0.01 0.09 -0.04 1.89 1.91 1ox5A1 ILE 122 HG12 -0.06 -0.01 -0.25 -0.04 1.49 1.13 1ox5A1 ILE 122 HG13 -0.08 0.09 -0.56 -0.04 1.21 0.62 1ox5A1 ILE 122 HG23 0.06 -0.02 -0.13 -0.04 0.93 0.80 1ox5A1 ILE 122 HD13 0.00 -0.01 -0.16 -0.04 0.88 0.66 1ox5A1 GLY 123 H -0.46 0.69 0.31 -0.55 8.43 8.42 1ox5A1 GLY 123 HA2 0.11 -0.00 0.32 -0.51 4.01 3.93 1ox5A1 GLY 123 HA3 0.05 0.19 0.73 -0.51 4.01 4.48 1ox5A1 TRP 124 H 0.46 0.16 0.17 -0.55 7.97 8.21 1ox5A1 TRP 124 HA 0.21 0.36 0.91 -0.75 4.62 5.34 1ox5A1 TRP 124 HB2 0.05 -0.10 0.16 -0.04 3.23 3.30 1ox5A1 TRP 124 HB3 0.05 0.04 -0.05 -0.04 3.23 3.23 1ox5A1 TRP 124 HD1 0.15 -0.04 0.03 -0.04 7.22 7.32 1ox5A1 TRP 124 HE1 0.15 0.06 0.01 -0.04 10.20 10.38 1ox5A1 TRP 124 HE3 0.03 -0.03 -0.59 -0.04 7.59 6.97 1ox5A1 TRP 124 HZ2 -0.03 0.20 0.16 -0.04 7.44 7.73 1ox5A1 TRP 124 HZ3 0.05 0.11 -0.00 -0.04 7.13 7.24 1ox5A1 TRP 124 HH2 0.08 0.08 0.10 -0.04 7.19 7.41 1ox5A1 ASN 125 H 0.35 0.43 0.36 -0.55 8.53 9.12 1ox5A1 ASN 125 HA 0.03 0.38 0.93 -0.75 4.76 5.34 1ox5A1 ASN 125 HB2 -0.30 -0.06 -0.13 -0.04 2.88 2.35 1ox5A1 ASN 125 HB3 -0.65 -0.05 -0.07 -0.04 2.79 1.98 1ox5A1 ASN 125 HD21 0.17 0.43 -0.05 -0.04 7.03 7.54 1ox5A1 ASN 125 HD22 -0.15 -0.13 -0.19 -0.04 7.74 7.23 1ox5A1 SER 126 H -0.00 0.20 0.23 -0.55 8.46 8.35 1ox5A1 SER 126 HA 0.17 0.16 1.03 -0.75 4.49 5.09 1ox5A1 SER 126 HB2 -0.03 0.17 0.18 -0.04 3.95 4.23 1ox5A1 SER 126 HB3 -0.03 0.08 -0.02 -0.04 3.93 3.92 1ox5A1 CYS 127 H 0.13 0.20 0.10 -0.55 8.50 8.38 1ox5A1 CYS 127 HA 0.05 0.23 0.69 -0.75 4.58 4.80 1ox5A1 CYS 127 HB2 0.07 -0.04 -0.11 -0.04 2.97 2.85 1ox5A1 CYS 127 HB3 0.02 0.04 -0.08 -0.04 2.97 2.91 1ox5A1 ILE 128 H 0.01 0.67 0.28 -0.55 8.25 8.66 1ox5A1 ILE 128 HA 0.02 0.10 0.50 -0.75 4.18 4.04 1ox5A1 ILE 128 HB 0.01 -0.11 0.03 -0.04 1.89 1.77 1ox5A1 ILE 128 HG12 0.09 0.05 -0.04 -0.04 1.49 1.55 1ox5A1 ILE 128 HG13 0.04 0.04 -0.09 -0.04 1.21 1.16 1ox5A1 ILE 128 HG23 0.02 0.04 -0.09 -0.04 0.93 0.85 1ox5A1 ILE 128 HD13 -0.02 -0.03 -0.22 -0.04 0.88 0.56 1ox5A1 PRO 129 HA -0.02 0.02 0.42 -0.51 4.44 4.35 1ox5A1 PRO 129 HB2 0.02 -0.03 0.05 -0.04 2.28 2.28 1ox5A1 PRO 129 HB3 0.02 0.02 0.08 -0.04 2.02 2.09 1ox5A1 PRO 129 HG2 -0.03 0.01 0.08 -0.04 2.03 2.05 1ox5A1 PRO 129 HG3 -0.19 0.06 0.11 -0.04 2.03 1.97 1ox5A1 PRO 129 HD2 0.00 0.05 0.19 -0.04 3.68 3.88 1ox5A1 PRO 129 HD3 -0.06 0.22 0.29 -0.04 3.65 4.07 1ox5A1 SER 130 H 0.02 0.28 0.26 -0.55 8.46 8.47 1ox5A1 SER 130 HA 0.03 0.10 0.63 -0.75 4.49 4.49 1ox5A1 SER 130 HB2 0.03 0.17 -0.09 -0.04 3.95 4.02 1ox5A1 SER 130 HB3 0.02 0.04 -0.03 -0.04 3.93 3.92 1ox5A1 GLU 131 H 0.05 0.15 0.18 -0.55 8.60 8.43 1ox5A1 GLU 131 HA 0.04 0.15 0.63 -0.75 4.29 4.35 1ox5A1 GLU 131 HB2 0.05 0.00 0.09 -0.04 2.09 2.19 1ox5A1 GLU 131 HB3 0.04 0.05 0.10 -0.04 1.99 2.14 1ox5A1 GLU 131 HG2 0.04 -0.06 0.02 -0.04 2.34 2.30 1ox5A1 GLU 131 HG3 0.03 0.01 0.04 -0.04 2.34 2.38 1ox5A1 ASN 132 H 0.07 -0.03 -0.07 -0.55 8.53 7.95 1ox5A1 ASN 132 HA 0.09 0.29 0.78 -0.75 4.76 5.17 1ox5A1 ASN 132 HB2 0.13 -0.04 0.11 -0.04 2.88 3.04 1ox5A1 ASN 132 HB3 0.18 0.04 0.18 -0.04 2.79 3.15 1ox5A1 ASN 132 HD21 0.06 0.01 -0.00 -0.04 7.03 7.06 1ox5A1 ASN 132 HD22 0.08 -0.03 0.05 -0.04 7.74 7.80 1ox5A1 LEU 133 H 0.03 0.14 -0.46 -0.55 8.37 7.53 1ox5A1 LEU 133 HA -0.30 0.03 0.37 -0.75 4.35 3.70 1ox5A1 LEU 133 HB2 -0.02 0.03 0.00 -0.04 1.64 1.61 1ox5A1 LEU 133 HB3 -0.13 0.09 0.04 -0.04 1.64 1.59 1ox5A1 LEU 133 HG -0.02 -0.12 -0.03 -0.04 1.64 1.43 1ox5A1 LEU 133 HD13 -0.01 0.08 -0.01 -0.04 0.93 0.95 1ox5A1 LEU 133 HD23 -0.14 0.02 -0.06 -0.04 0.89 0.67 1ox5A1 PHE 134 H -0.78 0.17 0.13 -0.55 8.34 7.31 1ox5A1 PHE 134 HA -0.13 0.17 0.67 -0.75 4.62 4.57 1ox5A1 PHE 134 HB2 -0.37 0.01 -0.02 -0.04 3.15 2.73 1ox5A1 PHE 134 HB3 -0.13 0.13 -0.15 -0.04 3.06 2.87 1ox5A1 PHE 134 HD2 0.20 0.18 -0.27 -0.04 7.28 7.34 1ox5A1 PHE 134 HE2 0.38 -0.04 -0.39 -0.04 7.38 7.29 1ox5A1 PHE 134 HZ 0.23 -0.04 -0.50 -0.04 7.32 6.97 1ox5A1 PHE 135 H -0.43 0.19 0.07 -0.55 8.34 7.62 1ox5A1 PHE 135 HA -0.02 0.39 0.43 -0.75 4.62 4.66 1ox5A1 PHE 135 HB2 -0.26 -0.03 -0.20 -0.04 3.15 2.63 1ox5A1 PHE 135 HB3 -0.15 0.06 0.16 -0.04 3.06 3.10 1ox5A1 PHE 135 HD2 -0.38 0.04 -0.26 -0.04 7.28 6.65 1ox5A1 PHE 135 HE2 -0.18 0.03 -0.03 -0.04 7.38 7.16 1ox5A1 PHE 135 HZ -0.04 0.08 -0.06 -0.04 7.32 7.26 1ox5A1 GLY 136 H 0.04 0.03 -0.45 -0.55 8.43 7.50 1ox5A1 GLY 136 HA2 0.08 0.14 0.06 -0.51 4.01 3.79 1ox5A1 GLY 136 HA3 0.13 0.08 0.33 -0.51 4.01 4.04 1ox5A1 LEU 137 H 0.05 0.50 -0.27 -0.55 8.37 8.10 1ox5A1 LEU 137 HA 0.15 -0.00 0.36 -0.75 4.35 4.11 1ox5A1 LEU 137 HB2 -0.15 -0.11 0.12 -0.04 1.64 1.46 1ox5A1 LEU 137 HB3 -0.02 -0.06 -0.06 -0.04 1.64 1.46 1ox5A1 LEU 137 HG 0.11 0.26 -0.01 -0.04 1.64 1.96 1ox5A1 LEU 137 HD13 -0.13 -0.05 -0.06 -0.04 0.93 0.65 1ox5A1 LEU 137 HD23 0.04 -0.01 -0.09 -0.04 0.89 0.79 1ox5A1 ASP 138 H 0.32 0.17 0.18 -0.55 8.40 8.53 1ox5A1 ASP 138 HA 0.14 0.18 0.79 -0.75 4.63 4.99 1ox5A1 ASP 138 HB2 0.19 0.20 0.02 -0.04 2.71 3.08 1ox5A1 ASP 138 HB3 0.18 -0.04 0.16 -0.04 2.70 2.96 1ox5A1 PRO 139 HA -0.08 0.11 0.45 -0.51 4.44 4.42 1ox5A1 PRO 139 HB2 -0.72 -0.04 0.01 -0.04 2.28 1.49 1ox5A1 PRO 139 HB3 -0.24 0.19 0.13 -0.04 2.02 2.06 1ox5A1 PRO 139 HG2 -0.06 -0.05 0.07 -0.04 2.03 1.94 1ox5A1 PRO 139 HG3 -0.04 0.07 -0.13 -0.04 2.03 1.89 1ox5A1 PRO 139 HD2 0.09 0.05 0.19 -0.04 3.68 3.98 1ox5A1 PRO 139 HD3 0.06 0.37 0.26 -0.04 3.65 4.30 1ox5A1 TYR 140 H 0.01 0.01 -0.47 -0.55 8.29 7.28 1ox5A1 TYR 140 HA -0.14 0.29 0.63 -0.75 4.56 4.59 1ox5A1 TYR 140 HB2 -0.45 -0.03 -0.02 -0.04 3.06 2.51 1ox5A1 TYR 140 HB3 -0.54 -0.00 0.08 -0.04 2.98 2.47 1ox5A1 TYR 140 HD2 -0.09 0.04 -0.11 -0.04 7.15 6.95 1ox5A1 TYR 140 HE2 -0.01 0.03 -0.04 -0.04 6.85 6.79 1ox5A1 LYS 141 H -0.03 0.41 -0.26 -0.55 8.42 7.99 1ox5A1 LYS 141 HA -0.08 0.14 0.79 -0.75 4.32 4.42 1ox5A1 LYS 141 HB2 -0.09 0.10 0.09 -0.04 1.87 1.93 1ox5A1 LYS 141 HB3 -0.23 -0.04 0.14 -0.04 1.79 1.61 1ox5A1 LYS 141 HG2 0.03 0.09 0.01 -0.04 1.46 1.55 1ox5A1 LYS 141 HG3 0.13 -0.11 -0.22 -0.04 1.46 1.22 1ox5A1 LYS 141 HD2 0.10 0.05 0.04 -0.04 1.69 1.84 1ox5A1 LYS 141 HD3 0.01 -0.05 0.07 -0.04 1.68 1.66 1ox5A1 LYS 141 HE2 0.17 -0.01 -0.01 -0.04 2.99 3.09 1ox5A1 LYS 141 HE3 0.09 -0.00 0.01 -0.04 2.99 3.04 1ox5A1 ARG 142 H -0.21 0.12 0.16 -0.55 8.46 7.98 1ox5A1 ARG 142 HA -0.04 0.34 0.91 -0.75 4.34 4.80 1ox5A1 ARG 142 HB2 0.03 -0.11 0.00 -0.04 1.90 1.78 1ox5A1 ARG 142 HB3 0.38 -0.03 -0.10 -0.04 1.80 2.01 1ox5A1 ARG 142 HG2 -0.05 -0.02 -0.51 -0.04 1.67 1.05 1ox5A1 ARG 142 HG3 -0.03 -0.09 -0.21 -0.04 1.67 1.31 1ox5A1 ARG 142 HD2 0.12 0.06 -0.37 -0.04 3.22 2.98 1ox5A1 ARG 142 HD3 0.04 0.12 -0.39 -0.04 3.22 2.95 1ox5A1 TYR 143 H 0.25 0.70 0.32 -0.55 8.29 9.00 1ox5A1 TYR 143 HA 0.07 0.14 0.83 -0.75 4.56 4.84 1ox5A1 TYR 143 HB2 -0.63 -0.00 -0.06 -0.04 3.06 2.33 1ox5A1 TYR 143 HB3 -1.17 -0.04 -0.07 -0.04 2.98 1.66 1ox5A1 TYR 143 HD2 -0.22 -0.00 -0.12 -0.04 7.15 6.78 1ox5A1 TYR 143 HE2 -0.01 0.11 -0.19 -0.04 6.85 6.73 1ox5A1 TYR 144 H -0.17 0.18 0.06 -0.55 8.29 7.81 1ox5A1 TYR 144 HA -0.74 0.21 0.72 -0.75 4.56 4.00 1ox5A1 TYR 144 HB2 -1.96 0.09 0.02 -0.04 3.06 1.17 1ox5A1 TYR 144 HB3 -0.48 -0.03 0.02 -0.04 2.98 2.45 1ox5A1 TYR 144 HD2 -0.84 -0.08 -0.13 -0.04 7.15 6.06 1ox5A1 TYR 144 HE2 -0.12 -0.04 -0.10 -0.04 6.85 6.55 1ox5A1 PHE 145 H -0.26 0.85 0.44 -0.55 8.34 8.82 1ox5A1 PHE 145 HA -0.14 0.09 0.85 -0.75 4.62 4.66 1ox5A1 PHE 145 HB2 -0.11 0.05 0.01 -0.04 3.15 3.05 1ox5A1 PHE 145 HB3 0.09 -0.02 -0.07 -0.04 3.06 3.02 1ox5A1 PHE 145 HD2 0.02 0.09 -0.08 -0.04 7.28 7.27 1ox5A1 PHE 145 HE2 0.24 0.06 -0.15 -0.04 7.38 7.49 1ox5A1 PHE 145 HZ 0.22 0.00 -0.23 -0.04 7.32 7.27 1ox5A1 VAL 146 H 0.02 0.21 0.03 -0.55 8.24 7.95 1ox5A1 VAL 146 HA -0.10 0.33 0.80 -0.75 4.13 4.41 1ox5A1 VAL 146 HB -0.36 0.04 -0.13 -0.04 2.12 1.63 1ox5A1 VAL 146 HG13 0.06 -0.01 0.07 -0.04 0.97 1.05 1ox5A1 VAL 146 HG23 0.01 -0.02 -0.01 -0.04 0.95 0.89 1ox5A1 HIS 147 H 0.09 0.60 0.24 -0.55 8.41 8.79 1ox5A1 HIS 147 HA 0.02 0.03 0.68 -0.75 4.63 4.60 1ox5A1 HIS 147 HB2 0.01 -0.01 0.15 -0.04 3.26 3.38 1ox5A1 HIS 147 HB3 0.02 0.16 -0.06 -0.04 3.20 3.28 1ox5A1 HIS 147 HD2 0.03 -0.04 -0.09 -0.04 6.97 6.83 1ox5A1 HIS 147 HE1 -0.46 -0.05 -0.18 -0.04 7.75 7.02 1ox5A1 SER 148 H 0.07 0.08 0.26 -0.55 8.46 8.32 1ox5A1 SER 148 HA -0.18 0.13 0.89 -0.75 4.49 4.57 1ox5A1 SER 148 HB2 -0.23 -0.05 0.13 -0.04 3.95 3.76 1ox5A1 SER 148 HB3 -0.64 0.05 0.06 -0.04 3.93 3.36 1ox5A1 PHE 149 H 0.11 0.00 0.18 -0.55 8.34 8.08 1ox5A1 PHE 149 HA -0.29 0.33 0.93 -0.75 4.62 4.83 1ox5A1 PHE 149 HB2 -0.10 -0.01 0.02 -0.04 3.15 3.02 1ox5A1 PHE 149 HB3 -0.18 0.00 -0.15 -0.04 3.06 2.69 1ox5A1 PHE 149 HD2 -0.08 -0.05 -0.16 -0.04 7.28 6.95 1ox5A1 PHE 149 HE2 -0.05 0.05 -0.08 -0.04 7.38 7.26 1ox5A1 PHE 149 HZ -0.04 0.11 -0.03 -0.04 7.32 7.32 1ox5A1 ALA 150 H -0.27 0.76 0.35 -0.55 8.40 8.70 1ox5A1 ALA 150 HA -0.10 0.12 0.53 -0.75 4.34 4.13 1ox5A1 ALA 150 HB3 -0.44 0.04 -0.19 -0.04 1.41 0.77 1ox5A1 ALA 151 H -0.05 0.26 0.07 -0.55 8.40 8.13 1ox5A1 ALA 151 HA 0.03 0.12 0.62 -0.75 4.34 4.36 1ox5A1 ALA 151 HB3 -0.17 0.01 0.07 -0.04 1.41 1.27 1ox5A1 ILE 152 H 0.03 0.23 0.12 -0.55 8.25 8.08 1ox5A1 ILE 152 HA 0.15 0.14 0.65 -0.75 4.18 4.37 1ox5A1 ILE 152 HB -0.03 -0.04 0.10 -0.04 1.89 1.88 1ox5A1 ILE 152 HG12 -0.10 0.02 -0.20 -0.04 1.49 1.17 1ox5A1 ILE 152 HG13 -0.21 0.04 -0.15 -0.04 1.21 0.85 1ox5A1 ILE 152 HG23 0.04 0.03 -0.07 -0.04 0.93 0.89 1ox5A1 ILE 152 HD13 -0.16 -0.01 -0.19 -0.04 0.88 0.48 1ox5A1 LEU 153 H 0.11 0.71 0.35 -0.55 8.37 9.00 1ox5A1 LEU 153 HA -0.05 0.09 0.78 -0.75 4.35 4.41 1ox5A1 LEU 153 HB2 0.06 0.03 -0.13 -0.04 1.64 1.56 1ox5A1 LEU 153 HB3 0.03 -0.02 -0.01 -0.04 1.64 1.60 1ox5A1 LEU 153 HG 0.15 0.08 -0.17 -0.04 1.64 1.65 1ox5A1 LEU 153 HD13 0.08 0.01 -0.25 -0.04 0.93 0.72 1ox5A1 LEU 153 HD23 0.12 -0.01 -0.19 -0.04 0.89 0.77 1ox5A1 ASN 154 H -0.05 0.17 0.23 -0.55 8.53 8.34 1ox5A1 ASN 154 HA -0.01 0.22 0.55 -0.75 4.76 4.76 1ox5A1 ASN 154 HB2 -0.03 -0.06 0.18 -0.04 2.88 2.93 1ox5A1 ASN 154 HB3 -0.04 0.19 0.01 -0.04 2.79 2.91 1ox5A1 ASN 154 HD21 -0.10 0.03 -0.02 -0.04 7.03 6.90 1ox5A1 ASN 154 HD22 -0.06 0.10 -0.03 -0.04 7.74 7.71 1ox5A1 SER 155 H -0.01 0.21 0.14 -0.55 8.46 8.26 1ox5A1 SER 155 HA 0.01 0.13 0.39 -0.75 4.49 4.26 1ox5A1 SER 155 HB2 -0.01 -0.04 0.17 -0.04 3.95 4.03 1ox5A1 SER 155 HB3 0.00 0.07 0.01 -0.04 3.93 3.97 1ox5A1 GLU 156 H -0.02 0.09 -0.08 -0.55 8.60 8.04 1ox5A1 GLU 156 HA -0.00 0.11 0.35 -0.75 4.29 3.99 1ox5A1 GLU 156 HB2 -0.02 0.01 0.10 -0.04 2.09 2.15 1ox5A1 GLU 156 HB3 -0.05 -0.03 0.07 -0.04 1.99 1.94 1ox5A1 GLU 156 HG2 -0.02 0.03 -0.13 -0.04 2.34 2.18 1ox5A1 GLU 156 HG3 -0.00 0.02 0.03 -0.04 2.34 2.34 1ox5A1 LYS 157 H -0.07 0.05 -0.19 -0.55 8.42 7.65 1ox5A1 LYS 157 HA -0.05 0.08 0.38 -0.75 4.32 3.98 1ox5A1 LYS 157 HB2 -0.15 -0.14 0.13 -0.04 1.87 1.68 1ox5A1 LYS 157 HB3 -0.21 0.07 -0.06 -0.04 1.79 1.56 1ox5A1 LYS 157 HG2 -0.41 0.03 -0.02 -0.04 1.46 1.02 1ox5A1 LYS 157 HG3 -0.25 -0.08 0.02 -0.04 1.46 1.10 1ox5A1 LYS 157 HD2 -0.46 0.09 0.06 -0.04 1.69 1.34 1ox5A1 LYS 157 HD3 -1.70 0.01 -0.07 -0.04 1.68 -0.12 1ox5A1 LYS 157 HE2 -0.65 0.09 -0.00 -0.04 2.99 2.39 1ox5A1 LYS 157 HE3 -0.71 -0.03 -0.03 -0.04 2.99 2.19 1ox5A1 LYS 158 H 0.01 0.43 -0.09 -0.55 8.42 8.21 1ox5A1 LYS 158 HA 0.08 0.05 0.33 -0.75 4.32 4.02 1ox5A1 LYS 158 HB2 0.04 0.08 0.08 -0.04 1.87 2.02 1ox5A1 LYS 158 HB3 0.06 0.02 -0.00 -0.04 1.79 1.83 1ox5A1 LYS 158 HG2 0.06 -0.02 -0.05 -0.04 1.46 1.41 1ox5A1 LYS 158 HG3 0.03 0.11 0.03 -0.04 1.46 1.58 1ox5A1 LYS 158 HD2 0.05 0.04 -0.07 -0.04 1.69 1.66 1ox5A1 LYS 158 HD3 0.04 -0.02 -0.13 -0.04 1.68 1.52 1ox5A1 LYS 158 HE2 0.02 -0.09 -0.36 -0.04 2.99 2.51 1ox5A1 LYS 158 HE3 0.03 0.02 -0.09 -0.04 2.99 2.91 1ox5A1 LYS 159 H 0.03 0.40 -0.29 -0.55 8.42 8.02 1ox5A1 LYS 159 HA 0.06 0.07 0.52 -0.75 4.32 4.21 1ox5A1 LYS 159 HB2 0.03 0.17 0.17 -0.04 1.87 2.20 1ox5A1 LYS 159 HB3 0.04 -0.01 -0.07 -0.04 1.79 1.71 1ox5A1 LYS 159 HG2 0.03 -0.02 0.01 -0.04 1.46 1.44 1ox5A1 LYS 159 HG3 0.04 -0.01 0.04 -0.04 1.46 1.49 1ox5A1 LYS 159 HD2 0.02 0.15 0.02 -0.04 1.69 1.84 1ox5A1 LYS 159 HD3 0.02 -0.06 -0.07 -0.04 1.68 1.53 1ox5A1 LYS 159 HE2 0.02 -0.05 -0.02 -0.04 2.99 2.90 1ox5A1 LYS 159 HE3 0.02 -0.00 -0.02 -0.04 2.99 2.95 1ox5A1 ASN 160 H 0.05 0.51 0.03 -0.55 8.53 8.57 1ox5A1 ASN 160 HA 0.07 0.04 0.46 -0.75 4.76 4.57 1ox5A1 ASN 160 HB2 0.07 0.04 0.14 -0.04 2.88 3.09 1ox5A1 ASN 160 HB3 0.08 0.00 0.03 -0.04 2.79 2.86 1ox5A1 ASN 160 HD21 0.01 -0.07 -0.06 -0.04 7.03 6.87 1ox5A1 ASN 160 HD22 0.03 -0.02 -0.06 -0.04 7.74 7.64 1ox5A1 LEU 161 H 0.10 0.51 -0.16 -0.55 8.37 8.28 1ox5A1 LEU 161 HA 0.21 0.03 0.30 -0.75 4.35 4.13 1ox5A1 LEU 161 HB2 0.12 0.11 0.06 -0.04 1.64 1.89 1ox5A1 LEU 161 HB3 0.14 -0.00 -0.09 -0.04 1.64 1.65 1ox5A1 LEU 161 HG 0.13 0.04 0.01 -0.04 1.64 1.78 1ox5A1 LEU 161 HD13 0.17 -0.03 -0.18 -0.04 0.93 0.84 1ox5A1 LEU 161 HD23 -0.35 -0.01 -0.07 -0.04 0.89 0.42 1ox5A1 GLU 162 H 0.12 0.29 -0.36 -0.55 8.60 8.11 1ox5A1 GLU 162 HA 0.14 0.19 0.47 -0.75 4.29 4.33 1ox5A1 GLU 162 HB2 0.09 0.10 0.21 -0.04 2.09 2.45 1ox5A1 GLU 162 HB3 0.08 0.12 0.28 -0.04 1.99 2.43 1ox5A1 GLU 162 HG2 0.06 -0.08 0.02 -0.04 2.34 2.30 1ox5A1 GLU 162 HG3 0.07 0.00 -0.13 -0.04 2.34 2.24 1ox5A1 ASN 163 H 0.09 0.62 0.03 -0.55 8.53 8.73 1ox5A1 ASN 163 HA 0.06 0.01 0.44 -0.75 4.76 4.51 1ox5A1 ASN 163 HB2 0.07 0.07 0.13 -0.04 2.88 3.11 1ox5A1 ASN 163 HB3 0.05 -0.06 0.10 -0.04 2.79 2.84 1ox5A1 ASN 163 HD21 0.04 -0.10 -0.04 -0.04 7.03 6.89 1ox5A1 ASN 163 HD22 0.05 -0.04 -0.04 -0.04 7.74 7.66 1ox5A1 ASP 164 H 0.16 0.30 -0.53 -0.55 8.40 7.78 1ox5A1 ASP 164 HA 0.10 0.02 0.52 -0.75 4.63 4.52 1ox5A1 ASP 164 HB2 0.23 0.18 0.07 -0.04 2.71 3.15 1ox5A1 ASP 164 HB3 0.58 0.00 0.04 -0.04 2.70 3.29 1ox5A1 GLY 165 H 0.09 0.42 -0.43 -0.55 8.43 7.97 1ox5A1 GLY 165 HA2 -0.01 0.01 0.31 -0.51 4.01 3.80 1ox5A1 GLY 165 HA3 -0.11 0.05 0.64 -0.51 4.01 4.08 1ox5A1 TRP 166 H 0.30 0.50 0.02 -0.55 7.97 8.24 1ox5A1 TRP 166 HA -0.02 0.15 0.69 -0.75 4.62 4.69 1ox5A1 TRP 166 HB2 0.04 -0.01 -0.04 -0.04 3.23 3.17 1ox5A1 TRP 166 HB3 0.02 -0.04 -0.15 -0.04 3.23 3.02 1ox5A1 TRP 166 HD1 0.02 0.02 -0.05 -0.04 7.22 7.16 1ox5A1 TRP 166 HE1 -0.00 0.08 -0.03 -0.04 10.20 10.21 1ox5A1 TRP 166 HE3 -0.05 -0.04 -0.18 -0.04 7.59 7.27 1ox5A1 TRP 166 HZ2 -0.00 0.09 -0.18 -0.04 7.44 7.31 1ox5A1 TRP 166 HZ3 -0.10 -0.01 -0.23 -0.04 7.13 6.75 1ox5A1 TRP 166 HH2 -0.16 -0.01 -0.14 -0.04 7.19 6.83 1ox5A1 LYS 167 H 0.16 0.73 0.38 -0.55 8.42 9.13 1ox5A1 LYS 167 HA 0.20 0.05 0.77 -0.75 4.32 4.59 1ox5A1 LYS 167 HB2 -0.14 0.06 0.23 -0.04 1.87 1.98 1ox5A1 LYS 167 HB3 0.36 0.12 0.02 -0.04 1.79 2.25 1ox5A1 LYS 167 HG2 0.11 -0.06 0.02 -0.04 1.46 1.49 1ox5A1 LYS 167 HG3 0.01 0.06 -0.02 -0.04 1.46 1.47 1ox5A1 LYS 167 HD2 -0.08 -0.02 -0.05 -0.04 1.69 1.50 1ox5A1 LYS 167 HD3 0.20 0.12 -0.07 -0.04 1.68 1.89 1ox5A1 LYS 167 HE2 0.04 -0.04 -0.01 -0.04 2.99 2.93 1ox5A1 LYS 167 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.91 1ox5A1 ILE 168 H 0.27 0.18 0.09 -0.55 8.25 8.24 1ox5A1 ILE 168 HA 0.36 0.28 1.11 -0.75 4.18 5.17 1ox5A1 ILE 168 HB 0.17 -0.03 0.03 -0.04 1.89 2.02 1ox5A1 ILE 168 HG12 0.23 0.03 -0.54 -0.04 1.49 1.17 1ox5A1 ILE 168 HG13 0.15 -0.05 -0.16 -0.04 1.21 1.11 1ox5A1 ILE 168 HG23 0.15 -0.03 -0.28 -0.04 0.93 0.73 1ox5A1 ILE 168 HD13 0.13 0.03 -0.13 -0.04 0.88 0.86 1ox5A1 ALA 169 H 0.37 0.74 0.26 -0.55 8.40 9.23 1ox5A1 ALA 169 HA 0.03 0.13 0.74 -0.75 4.34 4.49 1ox5A1 ALA 169 HB3 -0.05 -0.01 0.06 -0.04 1.41 1.37 1ox5A1 LYS 170 H 0.03 0.25 0.14 -0.55 8.42 8.29 1ox5A1 LYS 170 HA -0.04 0.18 0.96 -0.75 4.32 4.66 1ox5A1 LYS 170 HB2 -0.01 0.01 0.01 -0.04 1.87 1.84 1ox5A1 LYS 170 HB3 -0.03 0.02 0.08 -0.04 1.79 1.82 1ox5A1 LYS 170 HG2 0.06 -0.04 -0.27 -0.04 1.46 1.18 1ox5A1 LYS 170 HG3 0.05 0.10 -0.07 -0.04 1.46 1.51 1ox5A1 LYS 170 HD2 0.02 -0.02 -0.09 -0.04 1.69 1.57 1ox5A1 LYS 170 HD3 0.05 -0.04 -0.10 -0.04 1.68 1.55 1ox5A1 LYS 170 HE2 0.02 -0.04 -0.06 -0.04 2.99 2.87 1ox5A1 LYS 170 HE3 0.05 0.01 -0.04 -0.04 2.99 2.96 1ox5A1 ALA 171 H -0.36 0.57 0.42 -0.55 8.40 8.48 1ox5A1 ALA 171 HA -0.09 0.22 0.78 -0.75 4.34 4.49 1ox5A1 ALA 171 HB3 -0.59 -0.00 -0.11 -0.04 1.41 0.67 1ox5A1 LYS 172 H 0.12 0.32 0.17 -0.55 8.42 8.48 1ox5A1 LYS 172 HA 0.20 0.28 0.96 -0.75 4.32 5.00 1ox5A1 LYS 172 HB2 -0.07 -0.08 -0.21 -0.04 1.87 1.46 1ox5A1 LYS 172 HB3 -0.11 0.00 0.00 -0.04 1.79 1.64 1ox5A1 LYS 172 HG2 -0.12 0.14 -0.45 -0.04 1.46 0.98 1ox5A1 LYS 172 HG3 -0.01 -0.00 -0.61 -0.04 1.46 0.80 1ox5A1 LYS 172 HD2 -0.19 0.02 -0.20 -0.04 1.69 1.28 1ox5A1 LYS 172 HD3 -0.18 -0.09 -0.21 -0.04 1.68 1.15 1ox5A1 LYS 172 HE2 -0.96 -0.04 -0.11 -0.04 2.99 1.83 1ox5A1 LYS 172 HE3 -1.09 0.07 -0.11 -0.04 2.99 1.82 1ox5A1 TYR 173 H 0.36 0.62 0.12 -0.55 8.29 8.83 1ox5A1 TYR 173 HA 0.05 0.36 0.84 -0.75 4.56 5.06 1ox5A1 TYR 173 HB2 -0.13 -0.02 -0.12 -0.04 3.06 2.75 1ox5A1 TYR 173 HB3 -0.53 -0.08 0.09 -0.04 2.98 2.41 1ox5A1 TYR 173 HD2 -1.11 0.04 -0.02 -0.04 7.15 6.02 1ox5A1 TYR 173 HE2 -0.37 0.07 -0.06 -0.04 6.85 6.45 1ox5A1 GLY 174 H 0.08 0.68 0.19 -0.55 8.43 8.83 1ox5A1 GLY 174 HA2 0.03 0.04 0.35 -0.51 4.01 3.92 1ox5A1 GLY 174 HA3 -0.26 -0.01 0.54 -0.51 4.01 3.78 1ox5A1 SER 175 H -0.08 0.11 0.23 -0.55 8.46 8.16 1ox5A1 SER 175 HA -0.06 0.23 0.75 -0.75 4.49 4.66 1ox5A1 SER 175 HB2 -0.03 -0.01 0.13 -0.04 3.95 4.00 1ox5A1 SER 175 HB3 -0.03 0.01 0.01 -0.04 3.93 3.88 1ox5A1 GLU 176 H -0.00 0.38 -0.01 -0.55 8.60 8.42 1ox5A1 GLU 176 HA 0.07 0.13 0.89 -0.75 4.29 4.62 1ox5A1 GLU 176 HB2 0.21 0.13 0.17 -0.04 2.09 2.55 1ox5A1 GLU 176 HB3 0.23 0.03 -0.04 -0.04 1.99 2.17 1ox5A1 GLU 176 HG2 0.05 0.05 -0.01 -0.04 2.34 2.38 1ox5A1 GLU 176 HG3 0.02 -0.07 0.04 -0.04 2.34 2.28 1ox5A1 GLU 177 H 0.10 0.19 0.23 -0.55 8.60 8.57 1ox5A1 GLU 177 HA 0.13 0.32 0.91 -0.75 4.29 4.89 1ox5A1 GLU 177 HB2 0.04 -0.01 0.13 -0.04 2.09 2.21 1ox5A1 GLU 177 HB3 0.05 -0.06 -0.05 -0.04 1.99 1.89 1ox5A1 GLU 177 HG2 -0.01 0.07 -0.09 -0.04 2.34 2.27 1ox5A1 GLU 177 HG3 -0.02 0.02 -0.14 -0.04 2.34 2.16 1ox5A1 PHE 178 H -0.08 0.73 0.39 -0.55 8.34 8.83 1ox5A1 PHE 178 HA 0.09 0.12 0.83 -0.75 4.62 4.90 1ox5A1 PHE 178 HB2 0.07 -0.08 -0.21 -0.04 3.15 2.89 1ox5A1 PHE 178 HB3 0.14 -0.02 -0.40 -0.04 3.06 2.75 1ox5A1 PHE 178 HD2 0.26 0.09 -0.29 -0.04 7.28 7.30 1ox5A1 PHE 178 HE2 0.25 0.01 -0.34 -0.04 7.38 7.26 1ox5A1 PHE 178 HZ -0.40 0.03 -0.25 -0.04 7.32 6.66 1ox5A1 ILE 179 H 0.28 0.39 0.19 -0.55 8.25 8.56 1ox5A1 ILE 179 HA 0.08 0.13 0.63 -0.75 4.18 4.27 1ox5A1 ILE 179 HB 0.17 -0.10 0.11 -0.04 1.89 2.02 1ox5A1 ILE 179 HG12 0.17 0.02 -0.10 -0.04 1.49 1.54 1ox5A1 ILE 179 HG13 0.24 0.10 0.00 -0.04 1.21 1.51 1ox5A1 ILE 179 HG23 0.17 0.02 -0.26 -0.04 0.93 0.82 1ox5A1 ILE 179 HD13 0.31 -0.01 -0.12 -0.04 0.88 1.02 1ox5A1 ALA 180 H 0.04 0.70 0.45 -0.55 8.40 9.04 1ox5A1 ALA 180 HA 0.39 0.03 0.60 -0.75 4.34 4.61 1ox5A1 ALA 180 HB3 0.23 0.01 -0.16 -0.04 1.41 1.46 1ox5A1 ALA 181 H 0.17 0.42 0.28 -0.55 8.40 8.72 1ox5A1 ALA 181 HA 0.01 0.16 0.66 -0.75 4.34 4.41 1ox5A1 ALA 181 HB3 0.26 0.03 0.04 -0.04 1.41 1.69 1ox5A1 VAL 182 H 0.13 0.58 0.36 -0.55 8.24 8.77 1ox5A1 VAL 182 HA 0.31 0.29 1.04 -0.75 4.13 5.02 1ox5A1 VAL 182 HB 0.28 0.04 -0.02 -0.04 2.12 2.38 1ox5A1 VAL 182 HG13 0.01 -0.03 -0.22 -0.04 0.97 0.70 1ox5A1 VAL 182 HG23 0.05 -0.00 -0.13 -0.04 0.95 0.83 1ox5A1 ASN 183 H 0.18 0.40 0.25 -0.55 8.53 8.82 1ox5A1 ASN 183 HA 0.04 0.45 0.75 -0.75 4.76 5.24 1ox5A1 ASN 183 HB2 -1.20 -0.01 -0.16 -0.04 2.88 1.46 1ox5A1 ASN 183 HB3 -1.11 -0.06 0.05 -0.04 2.79 1.63 1ox5A1 ASN 183 HD21 0.16 0.06 -0.20 -0.04 7.03 7.01 1ox5A1 ASN 183 HD22 0.10 0.55 0.18 -0.04 7.74 8.54 1ox5A1 LYS 184 H -0.14 0.65 0.17 -0.55 8.42 8.55 1ox5A1 LYS 184 HA -0.33 0.17 0.72 -0.75 4.32 4.13 1ox5A1 LYS 184 HB2 -1.45 -0.07 -0.13 -0.04 1.87 0.18 1ox5A1 LYS 184 HB3 -1.42 -0.06 0.04 -0.04 1.79 0.30 1ox5A1 LYS 184 HG2 -0.56 -0.05 -0.09 -0.04 1.46 0.71 1ox5A1 LYS 184 HG3 -0.64 0.31 -0.07 -0.04 1.46 1.02 1ox5A1 LYS 184 HD2 -2.07 -0.03 -0.18 -0.04 1.69 -0.63 1ox5A1 LYS 184 HD3 -1.21 -0.07 -0.08 -0.04 1.68 0.28 1ox5A1 LYS 184 HE2 -0.34 -0.09 -0.01 -0.04 2.99 2.51 1ox5A1 LYS 184 HE3 -0.37 0.14 0.10 -0.04 2.99 2.82 1ox5A1 ASN 185 H -0.20 0.16 0.13 -0.55 8.53 8.07 1ox5A1 ASN 185 HA -0.11 0.04 0.38 -0.75 4.76 4.31 1ox5A1 ASN 185 HB2 -0.17 0.02 0.12 -0.04 2.88 2.80 1ox5A1 ASN 185 HB3 -0.10 0.08 0.19 -0.04 2.79 2.92 1ox5A1 ASN 185 HD21 -0.19 0.02 -0.01 -0.04 7.03 6.81 1ox5A1 ASN 185 HD22 -0.21 0.03 -0.07 -0.04 7.74 7.44 1ox5A1 ASN 186 H -0.09 0.11 0.24 -0.55 8.53 8.25 1ox5A1 ASN 186 HA 0.06 0.15 0.62 -0.75 4.76 4.83 1ox5A1 ASN 186 HB2 0.03 0.02 -0.41 -0.04 2.88 2.48 1ox5A1 ASN 186 HB3 -0.02 0.16 -0.08 -0.04 2.79 2.80 1ox5A1 ASN 186 HD21 -0.06 0.13 0.15 -0.04 7.03 7.21 1ox5A1 ASN 186 HD22 -0.05 0.58 -0.18 -0.04 7.74 8.05 1ox5A1 ILE 187 H -0.08 0.57 0.02 -0.55 8.25 8.22 1ox5A1 ILE 187 HA 0.06 0.19 0.91 -0.75 4.18 4.58 1ox5A1 ILE 187 HB -0.13 0.02 0.15 -0.04 1.89 1.89 1ox5A1 ILE 187 HG12 -0.10 0.04 -0.04 -0.04 1.49 1.35 1ox5A1 ILE 187 HG13 -0.15 -0.03 -0.01 -0.04 1.21 0.98 1ox5A1 ILE 187 HG23 0.08 -0.03 -0.22 -0.04 0.93 0.73 1ox5A1 ILE 187 HD13 -0.43 -0.02 -0.04 -0.04 0.88 0.35 1ox5A1 PHE 188 H 0.07 0.59 0.39 -0.55 8.34 8.84 1ox5A1 PHE 188 HA -0.02 0.27 0.94 -0.75 4.62 5.05 1ox5A1 PHE 188 HB2 -0.02 0.03 -0.07 -0.04 3.15 3.06 1ox5A1 PHE 188 HB3 -0.33 0.10 0.16 -0.04 3.06 2.96 1ox5A1 PHE 188 HD2 -0.34 0.12 0.07 -0.04 7.28 7.08 1ox5A1 PHE 188 HE2 0.19 -0.02 -0.10 -0.04 7.38 7.41 1ox5A1 PHE 188 HZ 0.10 -0.02 -0.09 -0.04 7.32 7.26 1ox5A1 ALA 189 H -0.34 0.52 0.35 -0.55 8.40 8.39 1ox5A1 ALA 189 HA -0.63 0.22 0.75 -0.75 4.34 3.92 1ox5A1 ALA 189 HB3 -0.17 -0.02 -0.05 -0.04 1.41 1.13 1ox5A1 THR 190 H -0.60 0.66 0.37 -0.55 8.28 8.16 1ox5A1 THR 190 HA -0.51 0.19 1.18 -0.75 4.39 4.49 1ox5A1 THR 190 HB -2.14 -0.08 0.12 -0.04 4.32 2.19 1ox5A1 THR 190 HG23 -0.78 -0.01 -0.12 -0.04 1.22 0.28 1ox5A1 GLN 191 H -0.34 0.79 0.28 -0.55 8.47 8.66 1ox5A1 GLN 191 HA -0.29 -0.04 0.56 -0.75 4.36 3.84 1ox5A1 GLN 191 HB2 0.01 0.02 0.06 -0.04 2.15 2.20 1ox5A1 GLN 191 HB3 0.16 0.03 0.20 -0.04 2.02 2.36 1ox5A1 GLN 191 HG2 0.15 -0.00 -0.01 -0.04 2.40 2.50 1ox5A1 GLN 191 HG3 -0.34 -0.03 -0.12 -0.04 2.39 1.86 1ox5A1 GLN 191 HE21 -0.16 -0.05 0.10 -0.04 6.97 6.82 1ox5A1 GLN 191 HE22 -0.38 0.02 0.15 -0.04 7.69 7.45 1ox5A1 PHE 192 H -0.85 0.08 0.00 -0.55 8.34 7.02 1ox5A1 PHE 192 HA -0.66 0.11 0.66 -0.75 4.62 3.98 1ox5A1 PHE 192 HB2 -0.74 0.12 -0.21 -0.04 3.15 2.29 1ox5A1 PHE 192 HB3 -2.33 -0.04 -0.17 -0.04 3.06 0.48 1ox5A1 PHE 192 HD2 -0.29 -0.03 -0.38 -0.04 7.28 6.55 1ox5A1 PHE 192 HE2 -0.22 -0.00 -0.12 -0.04 7.38 7.00 1ox5A1 PHE 192 HZ -0.42 0.05 -0.08 -0.04 7.32 6.83 1ox5A1 HIS 193 H 0.08 0.60 0.21 -0.55 8.41 8.76 1ox5A1 HIS 193 HA -0.10 0.19 0.78 -0.75 4.63 4.74 1ox5A1 HIS 193 HB2 0.09 0.06 0.16 -0.04 3.26 3.53 1ox5A1 HIS 193 HB3 0.02 -0.11 -0.00 -0.04 3.20 3.06 1ox5A1 HIS 193 HD2 -0.07 -0.02 0.04 -0.04 6.97 6.86 1ox5A1 HIS 193 HE1 -0.12 0.15 0.07 -0.04 7.75 7.80 1ox5A1 PRO 194 HA 0.33 0.05 0.44 -0.51 4.44 4.76 1ox5A1 PRO 194 HB2 0.13 0.18 -0.04 -0.04 2.28 2.50 1ox5A1 PRO 194 HB3 0.27 0.06 0.07 -0.04 2.02 2.37 1ox5A1 PRO 194 HG2 -0.02 -0.03 0.03 -0.04 2.03 1.97 1ox5A1 PRO 194 HG3 -0.12 0.11 0.00 -0.04 2.03 1.98 1ox5A1 PRO 194 HD2 -0.15 0.07 0.28 -0.04 3.68 3.84 1ox5A1 PRO 194 HD3 -0.29 0.32 0.09 -0.04 3.65 3.73 1ox5A1 GLU 195 H 0.09 0.15 -0.22 -0.55 8.60 8.07 1ox5A1 GLU 195 HA 0.03 0.15 0.26 -0.75 4.29 3.98 1ox5A1 GLU 195 HB2 0.11 0.11 -0.34 -0.04 2.09 1.93 1ox5A1 GLU 195 HB3 0.05 0.01 -0.08 -0.04 1.99 1.93 1ox5A1 GLU 195 HG2 0.09 0.07 -0.44 -0.04 2.34 2.02 1ox5A1 GLU 195 HG3 0.07 -0.10 -0.21 -0.04 2.34 2.06 1ox5A1 LYS 196 H 0.16 0.23 -0.80 -0.55 8.42 7.45 1ox5A1 LYS 196 HA 0.10 0.16 0.44 -0.75 4.32 4.28 1ox5A1 LYS 196 HB2 0.10 0.05 -0.00 -0.04 1.87 1.98 1ox5A1 LYS 196 HB3 -0.22 -0.03 0.05 -0.04 1.79 1.56 1ox5A1 LYS 196 HG2 -0.00 -0.08 -0.37 -0.04 1.46 0.96 1ox5A1 LYS 196 HG3 -0.15 -0.02 -0.10 -0.04 1.46 1.15 1ox5A1 LYS 196 HD2 -0.14 -0.14 -0.27 -0.04 1.69 1.10 1ox5A1 LYS 196 HD3 -0.03 0.07 -0.38 -0.04 1.68 1.30 1ox5A1 LYS 196 HE2 0.01 -0.02 -0.21 -0.04 2.99 2.72 1ox5A1 LYS 196 HE3 -0.07 -0.06 -0.11 -0.04 2.99 2.71 1ox5A1 SER 197 H 0.21 0.34 -0.21 -0.55 8.46 8.25 1ox5A1 SER 197 HA 0.46 0.17 0.91 -0.75 4.49 5.27 1ox5A1 SER 197 HB2 0.32 0.05 0.25 -0.04 3.95 4.52 1ox5A1 SER 197 HB3 0.37 0.05 0.31 -0.04 3.93 4.62 1ox5A1 GLY 198 H 0.38 0.69 -0.19 -0.55 8.43 8.76 1ox5A1 GLY 198 HA2 0.46 0.10 0.33 -0.51 4.01 4.38 1ox5A1 GLY 198 HA3 0.31 -0.00 0.42 -0.51 4.01 4.22 1ox5A1 LYS 199 H 0.16 0.20 0.21 -0.55 8.42 8.43 1ox5A1 LYS 199 HA 0.13 0.08 0.39 -0.75 4.32 4.16 1ox5A1 LYS 199 HB2 0.10 0.06 0.17 -0.04 1.87 2.16 1ox5A1 LYS 199 HB3 0.06 -0.03 0.16 -0.04 1.79 1.94 1ox5A1 LYS 199 HG2 0.06 0.00 0.01 -0.04 1.46 1.50 1ox5A1 LYS 199 HG3 0.08 -0.00 -0.10 -0.04 1.46 1.40 1ox5A1 LYS 199 HD2 0.13 -0.01 0.07 -0.04 1.69 1.83 1ox5A1 LYS 199 HD3 0.11 0.02 0.03 -0.04 1.68 1.80 1ox5A1 LYS 199 HE2 0.09 -0.03 -0.01 -0.04 2.99 2.99 1ox5A1 LYS 199 HE3 0.10 0.05 -0.01 -0.04 2.99 3.09 1ox5A1 ALA 200 H 0.10 0.16 -0.04 -0.55 8.40 8.08 1ox5A1 ALA 200 HA 0.12 0.04 0.41 -0.75 4.34 4.16 1ox5A1 ALA 200 HB3 -0.05 0.05 0.14 -0.04 1.41 1.52 1ox5A1 GLY 201 H 0.22 0.42 -0.50 -0.55 8.43 8.02 1ox5A1 GLY 201 HA2 0.35 -0.05 0.47 -0.51 4.01 4.28 1ox5A1 GLY 201 HA3 0.24 0.25 0.35 -0.51 4.01 4.34 1ox5A1 LEU 202 H 0.10 0.50 -0.07 -0.55 8.37 8.35 1ox5A1 LEU 202 HA -0.01 0.00 0.31 -0.75 4.35 3.90 1ox5A1 LEU 202 HB2 0.06 0.06 0.11 -0.04 1.64 1.83 1ox5A1 LEU 202 HB3 0.03 0.01 -0.02 -0.04 1.64 1.61 1ox5A1 LEU 202 HG -0.21 0.08 -0.09 -0.04 1.64 1.39 1ox5A1 LEU 202 HD13 -0.02 -0.02 -0.08 -0.04 0.93 0.77 1ox5A1 LEU 202 HD23 -0.58 0.01 -0.03 -0.04 0.89 0.25 1ox5A1 ASN 203 H 0.13 0.49 -0.33 -0.55 8.53 8.27 1ox5A1 ASN 203 HA 0.10 0.01 0.37 -0.75 4.76 4.49 1ox5A1 ASN 203 HB2 0.16 0.18 0.12 -0.04 2.88 3.31 1ox5A1 ASN 203 HB3 0.13 -0.01 -0.02 -0.04 2.79 2.85 1ox5A1 ASN 203 HD21 0.08 -0.09 -0.06 -0.04 7.03 6.92 1ox5A1 ASN 203 HD22 0.11 0.00 -0.01 -0.04 7.74 7.80 1ox5A1 VAL 204 H 0.21 0.33 -0.25 -0.55 8.24 7.98 1ox5A1 VAL 204 HA 0.23 0.24 0.44 -0.75 4.13 4.28 1ox5A1 VAL 204 HB 0.26 0.09 0.16 -0.04 2.12 2.59 1ox5A1 VAL 204 HG13 0.37 -0.02 -0.10 -0.04 0.97 1.18 1ox5A1 VAL 204 HG23 0.24 0.07 0.01 -0.04 0.95 1.23 1ox5A1 ILE 205 H 0.13 0.41 -0.22 -0.55 8.25 8.02 1ox5A1 ILE 205 HA 0.13 -0.01 0.35 -0.75 4.18 3.90 1ox5A1 ILE 205 HB 0.03 0.17 0.08 -0.04 1.89 2.13 1ox5A1 ILE 205 HG12 0.01 -0.05 -0.07 -0.04 1.49 1.34 1ox5A1 ILE 205 HG13 0.07 0.07 -0.05 -0.04 1.21 1.26 1ox5A1 ILE 205 HG23 -0.01 -0.01 -0.20 -0.04 0.93 0.67 1ox5A1 ILE 205 HD13 -0.01 -0.03 -0.20 -0.04 0.88 0.59 1ox5A1 GLU 206 H 0.07 0.64 -0.08 -0.55 8.60 8.68 1ox5A1 GLU 206 HA 0.01 0.02 0.34 -0.75 4.29 3.91 1ox5A1 GLU 206 HB2 0.06 0.04 0.08 -0.04 2.09 2.23 1ox5A1 GLU 206 HB3 0.08 0.06 0.11 -0.04 1.99 2.20 1ox5A1 GLU 206 HG2 0.08 -0.02 -0.20 -0.04 2.34 2.16 1ox5A1 GLU 206 HG3 0.10 0.01 0.02 -0.04 2.34 2.43 1ox5A1 ASN 207 H 0.13 0.63 -0.26 -0.55 8.53 8.48 1ox5A1 ASN 207 HA 0.13 -0.04 0.35 -0.75 4.76 4.45 1ox5A1 ASN 207 HB2 0.22 0.18 0.19 -0.04 2.88 3.43 1ox5A1 ASN 207 HB3 0.28 0.06 0.05 -0.04 2.79 3.14 1ox5A1 ASN 207 HD21 0.13 -0.16 -0.15 -0.04 7.03 6.80 1ox5A1 ASN 207 HD22 0.18 0.26 -0.17 -0.04 7.74 7.96 1ox5A1 PHE 208 H 0.16 0.47 -0.19 -0.55 8.34 8.23 1ox5A1 PHE 208 HA -0.46 0.00 0.48 -0.75 4.62 3.89 1ox5A1 PHE 208 HB2 -0.41 -0.05 0.07 -0.04 3.15 2.72 1ox5A1 PHE 208 HB3 -0.09 0.11 0.16 -0.04 3.06 3.21 1ox5A1 PHE 208 HD2 -0.35 -0.00 -0.09 -0.04 7.28 6.80 1ox5A1 PHE 208 HE2 -0.02 0.01 -0.19 -0.04 7.38 7.13 1ox5A1 PHE 208 HZ 0.03 0.06 -0.55 -0.04 7.32 6.81 1ox5A1 LEU 209 H -0.03 0.60 -0.04 -0.55 8.37 8.35 1ox5A1 LEU 209 HA -0.45 0.02 0.36 -0.75 4.35 3.53 1ox5A1 LEU 209 HB2 -0.23 0.08 0.07 -0.04 1.64 1.51 1ox5A1 LEU 209 HB3 -0.53 -0.03 -0.03 -0.04 1.64 1.00 1ox5A1 LEU 209 HG -0.06 0.16 -0.01 -0.04 1.64 1.68 1ox5A1 LEU 209 HD13 -0.86 -0.03 -0.14 -0.04 0.93 -0.14 1ox5A1 LEU 209 HD23 -0.16 -0.02 -0.11 -0.04 0.89 0.56 1ox5A1 LYS 210 H -0.02 0.42 -0.38 -0.55 8.42 7.89 1ox5A1 LYS 210 HA 0.03 0.10 0.68 -0.75 4.32 4.38 1ox5A1 LYS 210 HB2 0.06 0.10 0.01 -0.04 1.87 2.00 1ox5A1 LYS 210 HB3 0.05 -0.10 0.07 -0.04 1.79 1.77 1ox5A1 LYS 210 HG2 0.12 -0.02 -0.05 -0.04 1.46 1.46 1ox5A1 LYS 210 HG3 0.14 0.05 -0.08 -0.04 1.46 1.52 1ox5A1 LYS 210 HD2 0.08 -0.01 -0.07 -0.04 1.69 1.65 1ox5A1 LYS 210 HD3 0.06 -0.08 -0.03 -0.04 1.68 1.59 1ox5A1 LYS 210 HE2 0.08 -0.02 -0.02 -0.04 2.99 2.99 1ox5A1 LYS 210 HE3 0.16 0.06 -0.02 -0.04 2.99 3.14 1ox5A1 GLN 211 H -0.07 0.31 -0.56 -0.55 8.47 7.60 1ox5A1 GLN 211 HA 0.25 0.02 0.40 -0.75 4.36 4.28 1ox5A1 GLN 211 HB2 -0.01 0.01 -0.15 -0.04 2.15 1.97 1ox5A1 GLN 211 HB3 0.03 -0.10 0.16 -0.04 2.02 2.07 1ox5A1 GLN 211 HG2 -0.18 0.20 -0.00 -0.04 2.40 2.37 1ox5A1 GLN 211 HG3 -0.06 -0.06 0.02 -0.04 2.39 2.25 1ox5A1 GLN 211 HE21 0.07 -0.10 0.05 -0.04 6.97 6.94 1ox5A1 GLN 211 HE22 -0.57 0.51 0.18 -0.04 7.69 7.77 1ox5A1 GLN 212 H 0.19 0.67 0.12 -0.55 8.47 8.89 1ox5A1 GLN 212 HA -0.04 0.08 0.73 -0.75 4.36 4.37 1ox5A1 GLN 212 HB2 0.01 -0.11 -0.09 -0.04 2.15 1.93 1ox5A1 GLN 212 HB3 0.01 0.12 -0.10 -0.04 2.02 2.01 1ox5A1 GLN 212 HG2 0.06 0.07 -0.35 -0.04 2.40 2.15 1ox5A1 GLN 212 HG3 0.09 -0.06 -0.00 -0.04 2.39 2.37 1ox5A1 GLN 212 HE21 0.05 -0.05 -0.11 -0.04 6.97 6.83 1ox5A1 GLN 212 HE22 0.08 -0.01 -0.17 -0.04 7.69 7.55 1ox5A1 SER 213 H -0.08 0.20 -0.02 -0.55 8.46 8.01 1ox5A1 SER 213 HA -0.08 0.02 0.80 -0.75 4.49 4.48 1ox5A1 SER 213 HB2 -0.13 0.05 0.15 -0.04 3.95 3.98 1ox5A1 SER 213 HB3 -0.10 0.06 0.11 -0.04 3.93 3.96 1ox5A1 PRO 214 HA 0.00 0.05 0.36 -0.51 4.44 4.35 1ox5A1 PRO 214 HB2 0.03 0.14 -0.06 -0.04 2.28 2.34 1ox5A1 PRO 214 HB3 0.02 -0.02 0.02 -0.04 2.02 2.01 1ox5A1 PRO 214 HG2 0.06 0.01 -0.11 -0.04 2.03 1.95 1ox5A1 PRO 214 HG3 0.06 0.06 -0.09 -0.04 2.03 2.02 1ox5A1 PRO 214 HD2 0.05 0.11 -0.18 -0.04 3.68 3.62 1ox5A1 PRO 214 HD3 0.04 0.10 -0.36 -0.04 3.65 3.38 1ox5A1 PRO 215 HA 0.02 0.08 0.48 -0.51 4.44 4.52 1ox5A1 PRO 215 HB2 0.01 0.09 -0.03 -0.04 2.28 2.30 1ox5A1 PRO 215 HB3 0.01 0.00 0.08 -0.04 2.02 2.07 1ox5A1 PRO 215 HG2 -0.00 0.01 -0.04 -0.04 2.03 1.95 1ox5A1 PRO 215 HG3 -0.00 -0.01 0.03 -0.04 2.03 2.01 1ox5A1 PRO 215 HD2 0.01 0.05 0.17 -0.04 3.68 3.87 1ox5A1 PRO 215 HD3 0.00 0.13 0.15 -0.04 3.65 3.89 1ox5A1 ILE 216 H 0.05 0.07 0.09 -0.55 8.25 7.92 1ox5A1 ILE 216 HA 0.07 0.14 0.44 -0.75 4.18 4.08 1ox5A1 ILE 216 HB 0.27 -0.01 0.05 -0.04 1.89 2.15 1ox5A1 ILE 216 HG12 0.10 -0.03 0.11 -0.04 1.49 1.63 1ox5A1 ILE 216 HG13 0.12 0.03 -0.01 -0.04 1.21 1.32 1ox5A1 ILE 216 HG23 0.13 0.01 -0.03 -0.04 0.93 0.99 1ox5A1 ILE 216 HD13 0.27 -0.01 0.03 -0.04 0.88 1.12 1ox5A1 PRO 217 HA -0.17 0.03 0.32 -0.51 4.44 4.10 1ox5A1 PRO 217 HB2 -1.10 -0.04 -0.06 -0.04 2.28 1.03 1ox5A1 PRO 217 HB3 -0.34 0.00 0.02 -0.04 2.02 1.66 1ox5A1 PRO 217 HG2 -0.09 0.03 0.04 -0.04 2.03 1.96 1ox5A1 PRO 217 HG3 -0.09 0.08 0.06 -0.04 2.03 2.04 1ox5A1 PRO 217 HD2 0.06 0.04 0.14 -0.04 3.68 3.88 1ox5A1 PRO 217 HD3 0.03 0.24 0.19 -0.04 3.65 4.07 1ox5A1 ASN 218 H -0.18 0.11 0.08 -0.55 8.53 7.99 1ox5A1 ASN 218 HA -0.09 0.16 0.58 -0.75 4.76 4.66 1ox5A1 ASN 218 HB2 -0.06 0.03 0.12 -0.04 2.88 2.92 1ox5A1 ASN 218 HB3 -0.08 -0.05 0.20 -0.04 2.79 2.82 1ox5A1 ASN 218 HD21 -0.01 -0.04 -0.01 -0.04 7.03 6.92 1ox5A1 ASN 218 HD22 -0.02 0.07 0.02 -0.04 7.74 7.77 1ox5A1 TYR 219 H -0.10 0.42 0.10 -0.55 8.29 8.16 1ox5A1 TYR 219 HA -0.09 0.02 0.45 -0.75 4.56 4.19 1ox5A1 TYR 219 HB2 -0.31 0.02 0.01 -0.04 3.06 2.74 1ox5A1 TYR 219 HB3 -0.23 -0.10 0.01 -0.04 2.98 2.62 1ox5A1 TYR 219 HD2 -0.14 -0.02 -0.03 -0.04 7.15 6.92 1ox5A1 TYR 219 HE2 0.08 -0.01 -0.05 -0.04 6.85 6.83 1ox5A1 SER 220 H 0.05 0.06 0.21 -0.55 8.46 8.23 1ox5A1 SER 220 HA -0.00 0.23 0.63 -0.75 4.49 4.59 1ox5A1 SER 220 HB2 -0.01 -0.03 0.18 -0.04 3.95 4.05 1ox5A1 SER 220 HB3 -0.00 0.16 0.13 -0.04 3.93 4.18 1ox5A1 ALA 221 H -0.01 0.22 0.17 -0.55 8.40 8.23 1ox5A1 ALA 221 HA -0.03 0.13 0.38 -0.75 4.34 4.07 1ox5A1 ALA 221 HB3 -0.01 0.04 0.11 -0.04 1.41 1.50 1ox5A1 GLU 222 H -0.02 -0.05 -0.44 -0.55 8.60 7.54 1ox5A1 GLU 222 HA -0.02 0.19 0.51 -0.75 4.29 4.20 1ox5A1 GLU 222 HB2 -0.02 0.01 -0.03 -0.04 2.09 2.01 1ox5A1 GLU 222 HB3 -0.02 0.09 0.02 -0.04 1.99 2.04 1ox5A1 GLU 222 HG2 -0.01 -0.16 0.04 -0.04 2.34 2.16 1ox5A1 GLU 222 HG3 -0.01 0.06 0.01 -0.04 2.34 2.36 1ox5A1 GLU 223 H -0.03 -0.00 -0.11 -0.55 8.60 7.90 1ox5A1 GLU 223 HA -0.05 0.15 0.47 -0.75 4.29 4.10 1ox5A1 GLU 223 HB2 0.01 -0.10 0.22 -0.04 2.09 2.18 1ox5A1 GLU 223 HB3 -0.02 0.11 0.01 -0.04 1.99 2.05 1ox5A1 GLU 223 HG2 0.03 0.10 0.04 -0.04 2.34 2.47 1ox5A1 GLU 223 HG3 0.01 -0.08 0.04 -0.04 2.34 2.27 1ox5A1 LYS 224 H -0.16 0.49 -0.10 -0.55 8.42 8.10 1ox5A1 LYS 224 HA -0.55 0.08 0.35 -0.75 4.32 3.44 1ox5A1 LYS 224 HB2 -0.12 -0.01 0.03 -0.04 1.87 1.73 1ox5A1 LYS 224 HB3 -0.11 0.03 -0.08 -0.04 1.79 1.60 1ox5A1 LYS 224 HG2 -1.08 0.00 -0.05 -0.04 1.46 0.28 1ox5A1 LYS 224 HG3 -0.26 0.08 -0.16 -0.04 1.46 1.08 1ox5A1 LYS 224 HD2 -0.06 -0.05 -0.14 -0.04 1.69 1.40 1ox5A1 LYS 224 HD3 -0.04 0.01 -0.07 -0.04 1.68 1.54 1ox5A1 LYS 224 HE2 -0.09 -0.00 -0.05 -0.04 2.99 2.82 1ox5A1 LYS 224 HE3 -0.03 0.16 -0.13 -0.04 2.99 2.94 1ox5A1 GLU 225 H -0.05 0.24 -0.32 -0.55 8.60 7.92 1ox5A1 GLU 225 HA 0.01 0.04 0.33 -0.75 4.29 3.91 1ox5A1 GLU 225 HB2 -0.01 0.02 0.14 -0.04 2.09 2.20 1ox5A1 GLU 225 HB3 -0.02 0.06 0.10 -0.04 1.99 2.08 1ox5A1 GLU 225 HG2 -0.01 -0.06 0.01 -0.04 2.34 2.23 1ox5A1 GLU 225 HG3 -0.02 0.05 -0.11 -0.04 2.34 2.22 1ox5A1 LEU 226 H -0.05 0.11 -0.64 -0.55 8.37 7.24 1ox5A1 LEU 226 HA -0.04 0.11 0.59 -0.75 4.35 4.26 1ox5A1 LEU 226 HB2 -0.04 0.01 0.09 -0.04 1.64 1.66 1ox5A1 LEU 226 HB3 -0.05 0.06 0.16 -0.04 1.64 1.77 1ox5A1 LEU 226 HG -0.04 0.05 -0.09 -0.04 1.64 1.51 1ox5A1 LEU 226 HD13 -0.04 -0.00 0.02 -0.04 0.93 0.86 1ox5A1 LEU 226 HD23 -0.04 -0.03 -0.02 -0.04 0.89 0.76 1ox5A1 LEU 227 H -0.06 0.41 0.07 -0.55 8.37 8.24 1ox5A1 LEU 227 HA -0.04 0.10 0.63 -0.75 4.35 4.29 1ox5A1 LEU 227 HB2 -0.08 -0.07 0.11 -0.04 1.64 1.56 1ox5A1 LEU 227 HB3 -0.03 0.12 0.16 -0.04 1.64 1.86 1ox5A1 LEU 227 HG -0.10 0.01 0.09 -0.04 1.64 1.60 1ox5A1 LEU 227 HD13 -0.24 -0.02 0.01 -0.04 0.93 0.63 1ox5A1 LEU 227 HD23 -0.06 0.01 0.03 -0.04 0.89 0.83 1ox5A1 MET 228 H 0.06 0.38 -0.17 -0.55 8.47 8.18 1ox5A1 MET 228 HA -0.03 0.03 0.38 -0.75 4.52 4.14 1ox5A1 MET 228 HB2 0.03 -0.05 -0.00 -0.04 2.15 2.08 1ox5A1 MET 228 HB3 0.18 0.02 0.02 -0.04 2.03 2.21 1ox5A1 MET 228 HG2 0.02 0.13 -0.10 -0.04 2.63 2.65 1ox5A1 MET 228 HG3 -0.00 -0.04 -0.42 -0.04 2.56 2.06 1ox5A1 MET 228 HE3 0.04 0.00 -0.10 -0.04 2.10 2.00 1ox5A1 ASN 229 H -0.13 0.12 0.15 -0.55 8.53 8.13 1ox5A1 ASN 229 HA -0.22 0.10 0.60 -0.75 4.76 4.48 1ox5A1 ASN 229 HB2 -0.25 0.11 0.15 -0.04 2.88 2.84 1ox5A1 ASN 229 HB3 -0.51 -0.04 0.15 -0.04 2.79 2.36 1ox5A1 ASN 229 HD21 -0.25 0.52 0.30 -0.04 7.03 7.55 1ox5A1 ASN 229 HD22 -0.21 -0.09 0.13 -0.04 7.74 7.53 1ox5A1 ASP 230 H -0.17 0.20 0.15 -0.55 8.40 8.03 1ox5A1 ASP 230 HA 0.02 0.17 0.66 -0.75 4.63 4.72 1ox5A1 ASP 230 HB2 -0.01 -0.02 0.10 -0.04 2.71 2.74 1ox5A1 ASP 230 HB3 -0.03 0.13 -0.00 -0.04 2.70 2.75 1ox5A1 TYR 231 H -0.42 0.07 -0.14 -0.55 8.29 7.24 1ox5A1 TYR 231 HA -0.01 0.02 0.17 -0.75 4.56 3.99 1ox5A1 TYR 231 HB2 -0.02 0.14 -0.20 -0.04 3.06 2.95 1ox5A1 TYR 231 HB3 -0.01 -0.02 0.06 -0.04 2.98 2.96 1ox5A1 TYR 231 HD2 0.01 0.05 -0.28 -0.04 7.15 6.89 1ox5A1 TYR 231 HE2 0.00 0.13 0.04 -0.04 6.85 6.98 1ox5A1 SER 232 H -0.07 0.02 -0.27 -0.55 8.46 7.59 1ox5A1 SER 232 HA -0.08 0.11 0.60 -0.75 4.49 4.37 1ox5A1 SER 232 HB2 -0.07 0.03 0.08 -0.04 3.95 3.95 1ox5A1 SER 232 HB3 -0.05 0.06 0.02 -0.04 3.93 3.92 1ox5A1 ASN 233 H -0.22 0.17 0.15 -0.55 8.53 8.09 1ox5A1 ASN 233 HA -0.39 0.07 0.35 -0.75 4.76 4.03 1ox5A1 ASN 233 HB2 -0.11 -0.04 -0.00 -0.04 2.88 2.69 1ox5A1 ASN 233 HB3 -0.07 0.34 0.09 -0.04 2.79 3.10 1ox5A1 ASN 233 HD21 0.08 -0.01 0.02 -0.04 7.03 7.08 1ox5A1 ASN 233 HD22 -0.01 0.39 -0.22 -0.04 7.74 7.86 1ox5A1 TYR 234 H -0.39 0.13 -0.29 -0.55 8.29 7.20 1ox5A1 TYR 234 HA 0.01 0.08 0.26 -0.75 4.56 4.16 1ox5A1 TYR 234 HB2 0.13 0.15 0.07 -0.04 3.06 3.37 1ox5A1 TYR 234 HB3 -0.30 -0.15 0.17 -0.04 2.98 2.66 1ox5A1 TYR 234 HD2 -0.05 0.05 -0.11 -0.04 7.15 7.00 1ox5A1 TYR 234 HE2 -0.04 0.13 0.07 -0.04 6.85 6.97 1ox5A1 GLY 235 H 0.04 0.52 -0.75 -0.55 8.43 7.69 1ox5A1 GLY 235 HA2 -0.24 -0.18 0.30 -0.51 4.01 3.38 1ox5A1 GLY 235 HA3 0.16 0.26 0.92 -0.51 4.01 4.83 1ox5A1 LEU 236 H 0.12 0.44 -0.04 -0.55 8.37 8.36 1ox5A1 LEU 236 HA 0.06 0.25 0.71 -0.75 4.35 4.62 1ox5A1 LEU 236 HB2 0.14 0.16 0.17 -0.04 1.64 2.06 1ox5A1 LEU 236 HB3 0.10 -0.05 0.08 -0.04 1.64 1.74 1ox5A1 LEU 236 HG 0.14 -0.02 -0.16 -0.04 1.64 1.56 1ox5A1 LEU 236 HD13 -0.05 0.02 -0.08 -0.04 0.93 0.78 1ox5A1 LEU 236 HD23 -0.10 -0.05 -0.44 -0.04 0.89 0.26 1ox5A1 THR 237 H 0.12 0.27 0.24 -0.55 8.28 8.37 1ox5A1 THR 237 HA -0.06 0.10 0.36 -0.75 4.39 4.03 1ox5A1 THR 237 HB -0.08 -0.04 -0.12 -0.04 4.32 4.04 1ox5A1 THR 237 HG23 0.01 0.08 -0.14 -0.04 1.22 1.12 1ox5A1 ARG 238 H -0.18 0.73 0.29 -0.55 8.46 8.75 1ox5A1 ARG 238 HA -0.43 0.10 0.55 -0.75 4.34 3.81 1ox5A1 ARG 238 HB2 -0.36 -0.04 0.14 -0.04 1.90 1.59 1ox5A1 ARG 238 HB3 -1.64 -0.07 -0.02 -0.04 1.80 0.03 1ox5A1 ARG 238 HG2 -0.33 0.14 0.11 -0.04 1.67 1.55 1ox5A1 ARG 238 HG3 -0.52 -0.08 -0.02 -0.04 1.67 1.01 1ox5A1 ARG 238 HD2 -1.49 -0.03 -0.02 -0.04 3.22 1.64 1ox5A1 ARG 238 HD3 -0.46 0.10 -0.10 -0.04 3.22 2.73 1ox5A1 ARG 239 H 0.10 0.33 0.20 -0.55 8.46 8.54 1ox5A1 ARG 239 HA 0.13 0.01 0.53 -0.75 4.34 4.26 1ox5A1 ARG 239 HB2 0.25 0.15 0.15 -0.04 1.90 2.41 1ox5A1 ARG 239 HB3 0.23 -0.01 0.25 -0.04 1.80 2.23 1ox5A1 ARG 239 HG2 0.23 -0.12 -0.27 -0.04 1.67 1.47 1ox5A1 ARG 239 HG3 0.33 -0.01 -0.10 -0.04 1.67 1.86 1ox5A1 ARG 239 HD2 0.33 -0.03 -0.17 -0.04 3.22 3.30 1ox5A1 ARG 239 HD3 0.42 -0.04 -0.04 -0.04 3.22 3.52 1ox5A1 ILE 240 H 0.07 0.21 0.23 -0.55 8.25 8.22 1ox5A1 ILE 240 HA 0.28 0.22 0.92 -0.75 4.18 4.85 1ox5A1 ILE 240 HB -0.05 -0.01 0.18 -0.04 1.89 1.98 1ox5A1 ILE 240 HG12 0.04 0.20 0.00 -0.04 1.49 1.70 1ox5A1 ILE 240 HG13 -0.04 -0.02 -0.05 -0.04 1.21 1.06 1ox5A1 ILE 240 HG23 0.01 -0.02 -0.13 -0.04 0.93 0.75 1ox5A1 ILE 240 HD13 0.34 0.00 -0.28 -0.04 0.88 0.89 1ox5A1 ILE 241 H 0.21 0.84 0.37 -0.55 8.25 9.13 1ox5A1 ILE 241 HA 0.05 0.19 0.91 -0.75 4.18 4.58 1ox5A1 ILE 241 HB 0.11 -0.12 -0.04 -0.04 1.89 1.81 1ox5A1 ILE 241 HG12 0.13 0.06 -0.31 -0.04 1.49 1.33 1ox5A1 ILE 241 HG13 0.15 0.04 -0.36 -0.04 1.21 1.00 1ox5A1 ILE 241 HG23 0.05 -0.01 -0.37 -0.04 0.93 0.55 1ox5A1 ILE 241 HD13 0.10 -0.01 -0.29 -0.04 0.88 0.64 1ox5A1 ALA 242 H -0.07 0.67 0.34 -0.55 8.40 8.79 1ox5A1 ALA 242 HA -0.02 0.16 0.93 -0.75 4.34 4.66 1ox5A1 ALA 242 HB3 -0.70 0.02 0.12 -0.04 1.41 0.81 1ox5A1 CYS 243 H 0.07 0.58 0.40 -0.55 8.50 9.00 1ox5A1 CYS 243 HA -0.03 0.33 1.03 -0.75 4.58 5.16 1ox5A1 CYS 243 HB2 0.04 -0.02 -0.21 -0.04 2.97 2.73 1ox5A1 CYS 243 HB3 0.06 -0.10 -0.13 -0.04 2.97 2.76 1ox5A1 LEU 244 H -0.04 0.66 0.34 -0.55 8.37 8.79 1ox5A1 LEU 244 HA 0.07 0.06 0.82 -0.75 4.35 4.54 1ox5A1 LEU 244 HB2 -0.02 0.05 0.07 -0.04 1.64 1.70 1ox5A1 LEU 244 HB3 0.10 0.04 -0.10 -0.04 1.64 1.63 1ox5A1 LEU 244 HG -0.08 -0.07 0.01 -0.04 1.64 1.46 1ox5A1 LEU 244 HD13 0.03 0.04 -0.05 -0.04 0.93 0.91 1ox5A1 LEU 244 HD23 -0.30 0.02 -0.16 -0.04 0.89 0.41 1ox5A1 ASP 245 H 0.05 0.15 0.20 -0.55 8.40 8.26 1ox5A1 ASP 245 HA 0.06 0.14 0.76 -0.75 4.63 4.83 1ox5A1 ASP 245 HB2 0.06 0.11 0.09 -0.04 2.71 2.93 1ox5A1 ASP 245 HB3 0.05 0.04 0.01 -0.04 2.70 2.75 1ox5A1 VAL 246 H 0.07 0.59 0.27 -0.55 8.24 8.62 1ox5A1 VAL 246 HA 0.06 0.25 0.86 -0.75 4.13 4.55 1ox5A1 VAL 246 HB 0.07 -0.14 0.12 -0.04 2.12 2.13 1ox5A1 VAL 246 HG13 0.04 -0.01 -0.13 -0.04 0.97 0.83 1ox5A1 VAL 246 HG23 0.18 0.02 -0.26 -0.04 0.95 0.84 1ox5A1 ARG 247 H 0.04 0.75 0.22 -0.55 8.46 8.91 1ox5A1 ARG 247 HA 0.03 0.15 0.68 -0.75 4.34 4.45 1ox5A1 ARG 247 HB2 0.03 0.01 -0.24 -0.04 1.90 1.66 1ox5A1 ARG 247 HB3 0.03 0.07 -0.06 -0.04 1.80 1.80 1ox5A1 ARG 247 HG2 0.03 0.08 -0.21 -0.04 1.67 1.52 1ox5A1 ARG 247 HG3 0.04 -0.08 -0.44 -0.04 1.67 1.15 1ox5A1 ARG 247 HD2 0.04 -0.05 -0.36 -0.04 3.22 2.81 1ox5A1 ARG 247 HD3 0.03 0.04 -0.14 -0.04 3.22 3.11 1ox5A1 THR 248 H 0.02 0.24 0.12 -0.55 8.28 8.11 1ox5A1 THR 248 HA 0.01 0.31 0.73 -0.75 4.39 4.70 1ox5A1 THR 248 HB 0.01 0.12 -0.04 -0.04 4.32 4.37 1ox5A1 THR 248 HG23 0.01 0.01 -0.14 -0.04 1.22 1.06 1ox5A1 ASN 249 H 0.01 0.42 0.06 -0.55 8.53 8.48 1ox5A1 ASN 249 HA 0.01 0.19 0.59 -0.75 4.76 4.80 1ox5A1 ASN 249 HB2 0.01 -0.17 0.25 -0.04 2.88 2.93 1ox5A1 ASN 249 HB3 0.02 0.15 0.09 -0.04 2.79 3.01 1ox5A1 ASN 249 HD21 0.01 -0.03 0.06 -0.04 7.03 7.03 1ox5A1 ASN 249 HD22 0.02 0.09 0.05 -0.04 7.74 7.86 1ox5A1 ASP 250 H 0.01 0.12 0.16 -0.55 8.40 8.15 1ox5A1 ASP 250 HA 0.01 0.17 0.46 -0.75 4.63 4.52 1ox5A1 ASP 250 HB2 0.01 -0.06 0.14 -0.04 2.71 2.76 1ox5A1 ASP 250 HB3 0.01 0.06 0.06 -0.04 2.70 2.79 1ox5A1 GLN 251 H 0.01 0.03 0.06 -0.55 8.47 8.02 1ox5A1 GLN 251 HA 0.00 0.14 0.44 -0.75 4.36 4.19 1ox5A1 GLN 251 HB2 0.01 -0.11 0.12 -0.04 2.15 2.13 1ox5A1 GLN 251 HB3 0.00 0.07 0.04 -0.04 2.02 2.09 1ox5A1 GLN 251 HG2 0.00 0.04 0.05 -0.04 2.40 2.45 1ox5A1 GLN 251 HG3 0.00 0.06 0.06 -0.04 2.39 2.47 1ox5A1 GLN 251 HE21 0.01 0.01 0.04 -0.04 6.97 6.98 1ox5A1 GLN 251 HE22 0.01 0.04 0.03 -0.04 7.69 7.72 1ox5A1 GLY 252 H 0.01 -0.04 -0.56 -0.55 8.43 7.29 1ox5A1 GLY 252 HA2 0.01 0.11 0.16 -0.51 4.01 3.77 1ox5A1 GLY 252 HA3 0.00 0.23 0.79 -0.51 4.01 4.52 1ox5A1 ASP 253 H 0.01 -0.11 -0.07 -0.55 8.40 7.68 1ox5A1 ASP 253 HA 0.00 0.18 0.52 -0.75 4.63 4.57 1ox5A1 ASP 253 HB2 0.01 -0.11 0.16 -0.04 2.71 2.73 1ox5A1 ASP 253 HB3 0.01 0.09 0.23 -0.04 2.70 2.98 1ox5A1 LEU 254 H 0.00 0.19 0.22 -0.55 8.37 8.23 1ox5A1 LEU 254 HA 0.01 0.37 0.64 -0.75 4.35 4.61 1ox5A1 LEU 254 HB2 0.00 -0.04 0.20 -0.04 1.64 1.76 1ox5A1 LEU 254 HB3 0.01 -0.01 -0.03 -0.04 1.64 1.57 1ox5A1 LEU 254 HG 0.01 -0.01 -0.13 -0.04 1.64 1.47 1ox5A1 LEU 254 HD13 0.00 0.01 -0.12 -0.04 0.93 0.77 1ox5A1 LEU 254 HD23 -0.01 -0.02 -0.09 -0.04 0.89 0.72 1ox5A1 VAL 255 H 0.02 0.68 0.31 -0.55 8.24 8.71 1ox5A1 VAL 255 HA 0.02 0.09 0.90 -0.75 4.13 4.39 1ox5A1 VAL 255 HB 0.04 -0.11 0.17 -0.04 2.12 2.17 1ox5A1 VAL 255 HG13 0.02 -0.00 0.16 -0.04 0.97 1.11 1ox5A1 VAL 255 HG23 0.03 0.03 -0.15 -0.04 0.95 0.82 1ox5A1 VAL 256 H 0.03 0.12 0.18 -0.55 8.24 8.02 1ox5A1 VAL 256 HA 0.03 0.42 0.80 -0.75 4.13 4.63 1ox5A1 VAL 256 HB -0.14 0.01 0.03 -0.04 2.12 1.98 1ox5A1 VAL 256 HG13 -0.12 0.06 0.14 -0.04 0.97 1.01 1ox5A1 VAL 256 HG23 -0.07 0.01 -0.13 -0.04 0.95 0.73 1ox5A1 THR 257 H 0.09 0.06 0.05 -0.55 8.28 7.93 1ox5A1 THR 257 HA 0.11 0.15 0.86 -0.75 4.39 4.76 1ox5A1 THR 257 HB 0.09 0.01 0.08 -0.04 4.32 4.46 1ox5A1 THR 257 HG23 0.03 0.00 -0.08 -0.04 1.22 1.13 1ox5A1 LYS 258 H 0.05 0.15 -0.03 -0.55 8.42 8.04 1ox5A1 LYS 258 HA 0.03 0.09 0.06 -0.75 4.32 3.74 1ox5A1 LYS 258 HB2 0.03 0.02 0.03 -0.04 1.87 1.91 1ox5A1 LYS 258 HB3 0.02 0.01 0.04 -0.04 1.79 1.83 1ox5A1 LYS 258 HG2 0.02 0.01 0.02 -0.04 1.46 1.46 1ox5A1 LYS 258 HG3 0.02 0.03 -0.00 -0.04 1.46 1.46 1ox5A1 LYS 258 HD2 0.01 0.02 0.00 -0.04 1.69 1.68 1ox5A1 LYS 258 HD3 0.02 0.00 0.00 -0.04 1.68 1.66 1ox5A1 LYS 258 HE2 0.01 -0.03 -0.01 -0.04 2.99 2.92 1ox5A1 LYS 258 HE3 0.01 0.01 -0.01 -0.04 2.99 2.96 1ox5A1 LEU 276 HA -0.00 -0.08 0.28 -0.75 4.35 3.79 1ox5A1 LEU 276 HB2 -0.02 -0.03 0.12 -0.04 1.64 1.68 1ox5A1 LEU 276 HB3 -0.01 0.00 0.11 -0.04 1.64 1.70 1ox5A1 LEU 276 HG -0.03 -0.00 -0.09 -0.04 1.64 1.48 1ox5A1 LEU 276 HD13 -0.03 0.03 -0.01 -0.04 0.93 0.88 1ox5A1 LEU 276 HD23 -0.02 0.01 -0.05 -0.04 0.89 0.79 1ox5A1 GLY 277 H -0.00 0.22 0.16 -0.55 8.43 8.26 1ox5A1 GLY 277 HA2 -0.01 0.12 0.51 -0.51 4.01 4.13 1ox5A1 GLY 277 HA3 -0.00 0.07 0.34 -0.51 4.01 3.91 1ox5A1 LYS 278 H 0.00 0.20 -0.00 -0.55 8.42 8.06 1ox5A1 LYS 278 HA -0.01 0.08 0.43 -0.75 4.32 4.06 1ox5A1 LYS 278 HB2 0.01 0.15 0.18 -0.04 1.87 2.17 1ox5A1 LYS 278 HB3 -0.00 -0.06 0.05 -0.04 1.79 1.73 1ox5A1 LYS 278 HG2 0.01 0.02 0.05 -0.04 1.46 1.50 1ox5A1 LYS 278 HG3 0.01 -0.02 0.08 -0.04 1.46 1.49 1ox5A1 LYS 278 HD2 0.02 0.10 0.02 -0.04 1.69 1.79 1ox5A1 LYS 278 HD3 0.03 -0.08 0.06 -0.04 1.68 1.65 1ox5A1 LYS 278 HE2 0.01 0.01 -0.04 -0.04 2.99 2.94 1ox5A1 LYS 278 HE3 0.02 -0.00 -0.05 -0.04 2.99 2.92 1ox5A1 PRO 279 HA 0.01 0.07 0.39 -0.51 4.44 4.40 1ox5A1 PRO 279 HB2 0.18 0.06 -0.12 -0.04 2.28 2.36 1ox5A1 PRO 279 HB3 0.09 0.04 -0.07 -0.04 2.02 2.03 1ox5A1 PRO 279 HG2 0.02 0.19 -0.04 -0.04 2.03 2.15 1ox5A1 PRO 279 HG3 0.02 -0.00 -0.09 -0.04 2.03 1.92 1ox5A1 PRO 279 HD2 0.01 0.03 -0.38 -0.04 3.68 3.30 1ox5A1 PRO 279 HD3 0.01 0.10 -0.16 -0.04 3.65 3.56 1ox5A1 VAL 280 H 0.02 0.22 -0.38 -0.55 8.24 7.54 1ox5A1 VAL 280 HA 0.07 0.09 0.41 -0.75 4.13 3.95 1ox5A1 VAL 280 HB -0.01 0.07 0.18 -0.04 2.12 2.32 1ox5A1 VAL 280 HG13 -0.01 0.00 -0.20 -0.04 0.97 0.72 1ox5A1 VAL 280 HG23 -0.03 0.05 0.08 -0.04 0.95 1.01 1ox5A1 GLN 281 H -0.01 0.72 0.04 -0.55 8.47 8.67 1ox5A1 GLN 281 HA -0.02 0.06 0.42 -0.75 4.36 4.06 1ox5A1 GLN 281 HB2 -0.03 0.05 0.14 -0.04 2.15 2.27 1ox5A1 GLN 281 HB3 -0.03 -0.03 0.02 -0.04 2.02 1.94 1ox5A1 GLN 281 HG2 -0.01 -0.00 0.03 -0.04 2.40 2.38 1ox5A1 GLN 281 HG3 -0.01 0.05 0.09 -0.04 2.39 2.49 1ox5A1 GLN 281 HE21 -0.00 -0.04 -0.05 -0.04 6.97 6.84 1ox5A1 GLN 281 HE22 -0.00 -0.01 -0.01 -0.04 7.69 7.62 1ox5A1 LEU 282 H -0.09 0.44 -0.27 -0.55 8.37 7.90 1ox5A1 LEU 282 HA -0.28 0.05 0.46 -0.75 4.35 3.82 1ox5A1 LEU 282 HB2 -0.21 0.08 0.12 -0.04 1.64 1.59 1ox5A1 LEU 282 HB3 -0.26 0.06 0.09 -0.04 1.64 1.49 1ox5A1 LEU 282 HG -1.13 -0.03 -0.13 -0.04 1.64 0.31 1ox5A1 LEU 282 HD13 -0.29 -0.00 0.04 -0.04 0.93 0.63 1ox5A1 LEU 282 HD23 -0.39 -0.02 -0.01 -0.04 0.89 0.43 1ox5A1 ALA 283 H -0.08 0.42 -0.30 -0.55 8.40 7.90 1ox5A1 ALA 283 HA -0.11 -0.03 0.36 -0.75 4.34 3.81 1ox5A1 ALA 283 HB3 0.13 0.07 0.10 -0.04 1.41 1.67 1ox5A1 GLN 284 H -0.02 0.42 -0.21 -0.55 8.47 8.12 1ox5A1 GLN 284 HA 0.08 0.06 0.38 -0.75 4.36 4.13 1ox5A1 GLN 284 HB2 -0.00 0.09 0.13 -0.04 2.15 2.33 1ox5A1 GLN 284 HB3 0.04 -0.01 0.00 -0.04 2.02 2.01 1ox5A1 GLN 284 HG2 -0.02 -0.01 0.01 -0.04 2.40 2.35 1ox5A1 GLN 284 HG3 -0.00 0.22 0.06 -0.04 2.39 2.63 1ox5A1 GLN 284 HE21 -0.01 -0.02 -0.05 -0.04 6.97 6.85 1ox5A1 GLN 284 HE22 -0.03 0.02 -0.02 -0.04 7.69 7.61 1ox5A1 LYS 285 H -0.07 0.44 -0.24 -0.55 8.42 8.00 1ox5A1 LYS 285 HA 0.01 0.03 0.41 -0.75 4.32 4.01 1ox5A1 LYS 285 HB2 -0.06 0.11 0.16 -0.04 1.87 2.03 1ox5A1 LYS 285 HB3 -0.17 0.11 0.19 -0.04 1.79 1.87 1ox5A1 LYS 285 HG2 0.04 -0.06 -0.07 -0.04 1.46 1.32 1ox5A1 LYS 285 HG3 0.01 -0.01 0.03 -0.04 1.46 1.45 1ox5A1 LYS 285 HD2 -0.01 -0.01 -0.00 -0.04 1.69 1.62 1ox5A1 LYS 285 HD3 -0.01 0.01 0.00 -0.04 1.68 1.64 1ox5A1 LYS 285 HE2 0.08 -0.05 -0.02 -0.04 2.99 2.96 1ox5A1 LYS 285 HE3 0.04 -0.01 -0.01 -0.04 2.99 2.97 1ox5A1 TYR 286 H -0.07 0.63 -0.13 -0.55 8.29 8.18 1ox5A1 TYR 286 HA -0.10 -0.07 0.36 -0.75 4.56 3.99 1ox5A1 TYR 286 HB2 -0.05 0.20 0.15 -0.04 3.06 3.32 1ox5A1 TYR 286 HB3 -0.11 -0.08 0.01 -0.04 2.98 2.76 1ox5A1 TYR 286 HD2 -0.09 -0.02 -0.09 -0.04 7.15 6.90 1ox5A1 TYR 286 HE2 0.02 0.07 -0.21 -0.04 6.85 6.69 1ox5A1 TYR 287 H 0.19 0.45 -0.34 -0.55 8.29 8.04 1ox5A1 TYR 287 HA -0.01 0.08 0.40 -0.75 4.56 4.28 1ox5A1 TYR 287 HB2 0.00 -0.00 0.04 -0.04 3.06 3.06 1ox5A1 TYR 287 HB3 -0.01 0.13 0.15 -0.04 2.98 3.22 1ox5A1 TYR 287 HD2 0.00 0.06 -0.07 -0.04 7.15 7.10 1ox5A1 TYR 287 HE2 0.10 0.07 -0.04 -0.04 6.85 6.93 1ox5A1 GLN 288 H 0.02 0.58 -0.06 -0.55 8.47 8.46 1ox5A1 GLN 288 HA -0.30 0.06 0.44 -0.75 4.36 3.81 1ox5A1 GLN 288 HB2 -0.01 0.06 0.19 -0.04 2.15 2.35 1ox5A1 GLN 288 HB3 -0.05 -0.08 0.08 -0.04 2.02 1.94 1ox5A1 GLN 288 HG2 -0.02 -0.03 0.05 -0.04 2.40 2.37 1ox5A1 GLN 288 HG3 0.07 0.12 0.08 -0.04 2.39 2.61 1ox5A1 GLN 288 HE21 0.03 -0.06 -0.08 -0.04 6.97 6.81 1ox5A1 GLN 288 HE22 0.07 0.04 -0.10 -0.04 7.69 7.67 1ox5A1 GLN 289 H -0.05 0.33 -0.48 -0.55 8.47 7.72 1ox5A1 GLN 289 HA -0.07 0.15 0.67 -0.75 4.36 4.36 1ox5A1 GLN 289 HB2 -0.01 0.03 0.14 -0.04 2.15 2.27 1ox5A1 GLN 289 HB3 -0.03 -0.31 0.26 -0.04 2.02 1.90 1ox5A1 GLN 289 HG2 -0.00 0.01 -0.05 -0.04 2.40 2.32 1ox5A1 GLN 289 HG3 0.01 0.33 0.03 -0.04 2.39 2.72 1ox5A1 GLN 289 HE21 0.06 0.01 -0.01 -0.04 6.97 6.99 1ox5A1 GLN 289 HE22 0.03 0.03 -0.01 -0.04 7.69 7.70 1ox5A1 GLY 290 H -0.18 0.48 -0.39 -0.55 8.43 7.80 1ox5A1 GLY 290 HA2 -0.18 0.06 0.24 -0.51 4.01 3.63 1ox5A1 GLY 290 HA3 -0.15 0.02 0.62 -0.51 4.01 3.99 1ox5A1 ALA 291 H -0.12 0.54 0.05 -0.55 8.40 8.32 1ox5A1 ALA 291 HA -0.17 -0.05 0.41 -0.75 4.34 3.77 1ox5A1 ALA 291 HB3 -0.09 -0.01 -0.05 -0.04 1.41 1.23 1ox5A1 ASP 292 H -0.04 0.44 0.40 -0.55 8.40 8.65 1ox5A1 ASP 292 HA -0.06 0.16 0.62 -0.75 4.63 4.60 1ox5A1 ASP 292 HB2 0.14 -0.01 0.07 -0.04 2.71 2.87 1ox5A1 ASP 292 HB3 0.40 -0.02 0.09 -0.04 2.70 3.13 1ox5A1 GLU 293 H 0.05 0.16 0.04 -0.55 8.60 8.31 1ox5A1 GLU 293 HA 0.06 0.32 0.53 -0.75 4.29 4.45 1ox5A1 GLU 293 HB2 0.15 -0.06 -0.40 -0.04 2.09 1.73 1ox5A1 GLU 293 HB3 0.07 -0.15 -0.24 -0.04 1.99 1.63 1ox5A1 GLU 293 HG2 0.03 0.02 -0.19 -0.04 2.34 2.17 1ox5A1 GLU 293 HG3 0.01 0.15 -0.02 -0.04 2.34 2.45 1ox5A1 VAL 294 H 0.01 0.64 0.19 -0.55 8.24 8.54 1ox5A1 VAL 294 HA -0.07 0.29 1.04 -0.75 4.13 4.64 1ox5A1 VAL 294 HB -0.04 0.04 0.10 -0.04 2.12 2.18 1ox5A1 VAL 294 HG13 -0.43 -0.03 -0.13 -0.04 0.97 0.34 1ox5A1 VAL 294 HG23 0.05 0.01 -0.21 -0.04 0.95 0.76 1ox5A1 THR 295 H -0.10 0.65 0.33 -0.55 8.28 8.60 1ox5A1 THR 295 HA 0.01 0.19 0.98 -0.75 4.39 4.82 1ox5A1 THR 295 HB -0.01 -0.08 -0.02 -0.04 4.32 4.18 1ox5A1 THR 295 HG23 0.03 -0.03 -0.35 -0.04 1.22 0.83 1ox5A1 PHE 296 H 0.21 0.90 0.37 -0.55 8.34 9.27 1ox5A1 PHE 296 HA 0.03 0.24 0.99 -0.75 4.62 5.13 1ox5A1 PHE 296 HB2 0.01 -0.02 0.22 -0.04 3.15 3.32 1ox5A1 PHE 296 HB3 0.02 -0.04 -0.04 -0.04 3.06 2.95 1ox5A1 PHE 296 HD2 0.01 0.05 -0.08 -0.04 7.28 7.22 1ox5A1 PHE 296 HE2 -0.01 0.08 -0.13 -0.04 7.38 7.28 1ox5A1 PHE 296 HZ -0.02 0.04 -0.08 -0.04 7.32 7.21 1ox5A1 LEU 297 H 0.11 0.72 0.25 -0.55 8.37 8.91 1ox5A1 LEU 297 HA 0.05 0.09 0.90 -0.75 4.35 4.63 1ox5A1 LEU 297 HB2 0.05 -0.01 0.08 -0.04 1.64 1.72 1ox5A1 LEU 297 HB3 0.03 0.00 -0.05 -0.04 1.64 1.59 1ox5A1 LEU 297 HG 0.04 0.02 -0.28 -0.04 1.64 1.37 1ox5A1 LEU 297 HD13 0.03 -0.02 -0.16 -0.04 0.93 0.74 1ox5A1 LEU 297 HD23 0.02 0.01 -0.17 -0.04 0.89 0.71 1ox5A1 ASN 298 H 0.02 0.85 0.38 -0.55 8.53 9.24 1ox5A1 ASN 298 HA 0.05 0.03 0.74 -0.75 4.76 4.83 1ox5A1 ASN 298 HB2 0.03 -0.01 0.10 -0.04 2.88 2.96 1ox5A1 ASN 298 HB3 -0.00 0.10 0.24 -0.04 2.79 3.09 1ox5A1 ASN 298 HD21 0.07 -0.05 -0.03 -0.04 7.03 6.97 1ox5A1 ASN 298 HD22 0.10 0.08 -0.03 -0.04 7.74 7.86 1ox5A1 ILE 299 H 0.04 0.50 0.35 -0.55 8.25 8.59 1ox5A1 ILE 299 HA 0.02 0.13 0.86 -0.75 4.18 4.43 1ox5A1 ILE 299 HB 0.03 0.06 0.00 -0.04 1.89 1.94 1ox5A1 ILE 299 HG12 0.02 0.03 -0.29 -0.04 1.49 1.21 1ox5A1 ILE 299 HG13 0.03 -0.12 -1.32 -0.04 1.21 -0.24 1ox5A1 ILE 299 HG23 0.02 -0.02 0.11 -0.04 0.93 0.99 1ox5A1 ILE 299 HD13 0.03 -0.04 -0.13 -0.04 0.88 0.70 1ox5A1 THR 300 H 0.03 -0.02 0.02 -0.55 8.28 7.76 1ox5A1 THR 300 HA 0.02 0.13 0.60 -0.75 4.39 4.39 1ox5A1 THR 300 HB 0.02 0.09 0.01 -0.04 4.32 4.39 1ox5A1 THR 300 HG23 0.02 -0.04 -0.24 -0.04 1.22 0.92 1ox5A1 CYS 305 HA -0.01 -0.01 0.23 -0.75 4.58 4.05 1ox5A1 CYS 305 HB2 -0.00 0.00 0.10 -0.04 2.97 3.03 1ox5A1 CYS 305 HB3 -0.00 -0.07 0.09 -0.04 2.97 2.94 1ox5A1 PRO 306 HA -0.01 -0.09 0.52 -0.51 4.44 4.35 1ox5A1 PRO 306 HB2 -0.02 -0.07 0.00 -0.04 2.28 2.16 1ox5A1 PRO 306 HB3 -0.01 -0.04 0.14 -0.04 2.02 2.07 1ox5A1 PRO 306 HG2 -0.01 0.09 0.06 -0.04 2.03 2.13 1ox5A1 PRO 306 HG3 -0.01 0.04 0.07 -0.04 2.03 2.09 1ox5A1 PRO 306 HD2 -0.01 0.11 0.14 -0.04 3.68 3.88 1ox5A1 PRO 306 HD3 -0.01 0.22 0.17 -0.04 3.65 3.99 1ox5A1 LEU 307 H -0.01 0.04 0.20 -0.55 8.37 8.05 1ox5A1 LEU 307 HA -0.03 0.14 0.36 -0.75 4.35 4.06 1ox5A1 LEU 307 HB2 -0.01 -0.02 0.15 -0.04 1.64 1.71 1ox5A1 LEU 307 HB3 -0.03 -0.04 0.12 -0.04 1.64 1.66 1ox5A1 LEU 307 HG -0.07 0.06 -0.14 -0.04 1.64 1.45 1ox5A1 LEU 307 HD13 -0.01 0.01 0.03 -0.04 0.93 0.92 1ox5A1 LEU 307 HD23 -0.01 -0.00 -0.05 -0.04 0.89 0.79 1ox5A1 LYS 308 H -0.03 0.02 -0.13 -0.55 8.42 7.72 1ox5A1 LYS 308 HA -0.07 0.12 0.36 -0.75 4.32 3.97 1ox5A1 LYS 308 HB2 -0.04 0.09 0.03 -0.04 1.87 1.91 1ox5A1 LYS 308 HB3 -0.03 -0.02 0.07 -0.04 1.79 1.76 1ox5A1 LYS 308 HG2 -0.02 -0.18 -0.03 -0.04 1.46 1.19 1ox5A1 LYS 308 HG3 -0.03 0.10 -0.18 -0.04 1.46 1.31 1ox5A1 LYS 308 HD2 -0.01 0.03 -0.04 -0.04 1.69 1.63 1ox5A1 LYS 308 HD3 -0.02 0.06 -0.03 -0.04 1.68 1.65 1ox5A1 LYS 308 HE2 -0.01 -0.00 0.01 -0.04 2.99 2.94 1ox5A1 LYS 308 HE3 -0.01 -0.09 0.01 -0.04 2.99 2.86 1ox5A1 ASP 309 H -0.04 0.13 -0.53 -0.55 8.40 7.42 1ox5A1 ASP 309 HA -0.05 0.20 0.65 -0.75 4.63 4.69 1ox5A1 ASP 309 HB2 -0.02 0.04 0.00 -0.04 2.71 2.69 1ox5A1 ASP 309 HB3 -0.02 0.01 0.10 -0.04 2.70 2.75 1ox5A1 THR 310 H -0.08 0.35 -0.38 -0.55 8.28 7.63 1ox5A1 THR 310 HA -0.03 0.10 0.32 -0.75 4.39 4.03 1ox5A1 THR 310 HB -0.15 -0.07 0.09 -0.04 4.32 4.15 1ox5A1 THR 310 HG23 0.01 -0.08 -0.07 -0.04 1.22 1.05 1ox5A1 PRO 311 HA -0.04 0.13 0.40 -0.51 4.44 4.41 1ox5A1 PRO 311 HB2 -0.01 -0.07 0.04 -0.04 2.28 2.20 1ox5A1 PRO 311 HB3 -0.02 0.05 0.10 -0.04 2.02 2.11 1ox5A1 PRO 311 HG2 -0.01 0.04 0.10 -0.04 2.03 2.12 1ox5A1 PRO 311 HG3 -0.02 0.13 0.14 -0.04 2.03 2.24 1ox5A1 PRO 311 HD2 -0.01 0.00 0.18 -0.04 3.68 3.81 1ox5A1 PRO 311 HD3 -0.02 0.28 0.24 -0.04 3.65 4.11 1ox5A1 MET 312 H -0.01 0.13 -0.25 -0.55 8.47 7.79 1ox5A1 MET 312 HA -0.06 0.05 0.36 -0.75 4.52 4.12 1ox5A1 MET 312 HB2 0.05 -0.04 0.04 -0.04 2.15 2.16 1ox5A1 MET 312 HB3 0.13 0.05 -0.03 -0.04 2.03 2.14 1ox5A1 MET 312 HG2 0.11 0.01 -0.05 -0.04 2.63 2.66 1ox5A1 MET 312 HG3 0.11 0.04 -0.14 -0.04 2.56 2.53 1ox5A1 MET 312 HE3 -0.49 0.00 -0.04 -0.04 2.10 1.53 1ox5A1 LEU 313 H -0.12 0.37 -0.30 -0.55 8.37 7.77 1ox5A1 LEU 313 HA -0.17 0.03 0.38 -0.75 4.35 3.83 1ox5A1 LEU 313 HB2 -0.16 0.25 0.05 -0.04 1.64 1.74 1ox5A1 LEU 313 HB3 -0.18 0.04 -0.03 -0.04 1.64 1.43 1ox5A1 LEU 313 HG -0.48 -0.13 -0.01 -0.04 1.64 0.98 1ox5A1 LEU 313 HD13 -0.24 0.01 -0.03 -0.04 0.93 0.63 1ox5A1 LEU 313 HD23 -0.73 0.01 -0.15 -0.04 0.89 -0.02 1ox5A1 GLU 314 H -0.09 0.29 -0.25 -0.55 8.60 8.00 1ox5A1 GLU 314 HA -0.07 0.09 0.48 -0.75 4.29 4.04 1ox5A1 GLU 314 HB2 -0.06 0.02 0.04 -0.04 2.09 2.06 1ox5A1 GLU 314 HB3 -0.06 0.14 0.10 -0.04 1.99 2.13 1ox5A1 GLU 314 HG2 -0.04 -0.00 -0.01 -0.04 2.34 2.26 1ox5A1 GLU 314 HG3 -0.04 -0.02 -0.07 -0.04 2.34 2.16 1ox5A1 VAL 315 H -0.11 0.25 -0.29 -0.55 8.24 7.54 1ox5A1 VAL 315 HA -0.10 0.06 0.40 -0.75 4.13 3.73 1ox5A1 VAL 315 HB -0.26 0.15 0.11 -0.04 2.12 2.07 1ox5A1 VAL 315 HG13 -0.25 -0.02 -0.18 -0.04 0.97 0.48 1ox5A1 VAL 315 HG23 -0.07 0.08 0.01 -0.04 0.95 0.92 1ox5A1 LEU 316 H -0.19 0.39 -0.19 -0.55 8.37 7.83 1ox5A1 LEU 316 HA -0.26 -0.02 0.34 -0.75 4.35 3.66 1ox5A1 LEU 316 HB2 -0.10 0.18 0.10 -0.04 1.64 1.77 1ox5A1 LEU 316 HB3 -0.07 0.01 -0.25 -0.04 1.64 1.29 1ox5A1 LEU 316 HG -0.26 0.02 -0.02 -0.04 1.64 1.34 1ox5A1 LEU 316 HD13 0.12 -0.03 -0.09 -0.04 0.93 0.90 1ox5A1 LEU 316 HD23 -0.13 -0.02 -0.20 -0.04 0.89 0.50 1ox5A1 LYS 317 H -0.09 0.35 -0.12 -0.55 8.42 8.00 1ox5A1 LYS 317 HA -0.05 0.13 0.40 -0.75 4.32 4.04 1ox5A1 LYS 317 HB2 -0.06 -0.01 0.21 -0.04 1.87 1.97 1ox5A1 LYS 317 HB3 -0.04 -0.05 -0.02 -0.04 1.79 1.64 1ox5A1 LYS 317 HG2 -0.03 -0.04 0.08 -0.04 1.46 1.42 1ox5A1 LYS 317 HG3 -0.06 0.14 0.19 -0.04 1.46 1.69 1ox5A1 LYS 317 HD2 -0.06 -0.06 -0.07 -0.04 1.69 1.46 1ox5A1 LYS 317 HD3 -0.04 -0.04 0.00 -0.04 1.68 1.56 1ox5A1 LYS 317 HE2 -0.05 0.02 -0.02 -0.04 2.99 2.89 1ox5A1 LYS 317 HE3 -0.05 -0.05 -0.05 -0.04 2.99 2.81 1ox5A1 GLN 318 H -0.07 0.46 -0.23 -0.55 8.47 8.08 1ox5A1 GLN 318 HA -0.04 0.05 0.43 -0.75 4.36 4.05 1ox5A1 GLN 318 HB2 -0.06 0.05 0.16 -0.04 2.15 2.26 1ox5A1 GLN 318 HB3 -0.04 -0.08 -0.01 -0.04 2.02 1.86 1ox5A1 GLN 318 HG2 -0.04 0.22 0.08 -0.04 2.40 2.62 1ox5A1 GLN 318 HG3 -0.03 -0.09 -0.01 -0.04 2.39 2.22 1ox5A1 GLN 318 HE21 -0.02 -0.01 -0.05 -0.04 6.97 6.86 1ox5A1 GLN 318 HE22 -0.03 0.01 -0.03 -0.04 7.69 7.60 1ox5A1 ALA 319 H -0.08 0.63 -0.06 -0.55 8.40 8.35 1ox5A1 ALA 319 HA -0.04 -0.02 0.47 -0.75 4.34 3.99 1ox5A1 ALA 319 HB3 0.03 -0.00 0.10 -0.04 1.41 1.50 1ox5A1 ALA 320 H -0.09 0.67 -0.17 -0.55 8.40 8.27 1ox5A1 ALA 320 HA -0.19 0.11 0.36 -0.75 4.34 3.87 1ox5A1 ALA 320 HB3 -0.06 -0.00 0.07 -0.04 1.41 1.37 1ox5A1 LYS 321 H -0.13 0.27 -0.78 -0.55 8.42 7.22 1ox5A1 LYS 321 HA -0.08 0.08 0.55 -0.75 4.32 4.12 1ox5A1 LYS 321 HB2 -0.07 0.16 0.11 -0.04 1.87 2.02 1ox5A1 LYS 321 HB3 -0.03 -0.06 0.02 -0.04 1.79 1.68 1ox5A1 LYS 321 HG2 -0.01 -0.04 -0.01 -0.04 1.46 1.36 1ox5A1 LYS 321 HG3 -0.04 0.28 0.07 -0.04 1.46 1.72 1ox5A1 LYS 321 HD2 -0.02 -0.03 0.03 -0.04 1.69 1.63 1ox5A1 LYS 321 HD3 0.00 -0.04 0.00 -0.04 1.68 1.60 1ox5A1 LYS 321 HE2 0.00 -0.01 -0.03 -0.04 2.99 2.91 1ox5A1 LYS 321 HE3 -0.02 0.03 -0.10 -0.04 2.99 2.86 1ox5A1 THR 322 H -0.30 0.21 -0.03 -0.55 8.28 7.61 1ox5A1 THR 322 HA -0.44 0.25 0.87 -0.75 4.39 4.31 1ox5A1 THR 322 HB -0.05 -0.04 0.06 -0.04 4.32 4.24 1ox5A1 THR 322 HG23 -0.04 -0.01 -0.18 -0.04 1.22 0.96 1ox5A1 VAL 323 H -0.48 0.50 0.16 -0.55 8.24 7.88 1ox5A1 VAL 323 HA -1.28 0.04 0.68 -0.75 4.13 2.82 1ox5A1 VAL 323 HB -0.24 0.07 0.06 -0.04 2.12 1.96 1ox5A1 VAL 323 HG13 -0.19 -0.03 -0.15 -0.04 0.97 0.55 1ox5A1 VAL 323 HG23 -0.10 -0.02 -0.08 -0.04 0.95 0.71 1ox5A1 PHE 324 H -1.24 0.20 0.05 -0.55 8.34 6.79 1ox5A1 PHE 324 HA -0.14 0.29 0.76 -0.75 4.62 4.78 1ox5A1 PHE 324 HB2 0.02 -0.12 0.08 -0.04 3.15 3.10 1ox5A1 PHE 324 HB3 0.04 -0.01 0.03 -0.04 3.06 3.08 1ox5A1 PHE 324 HD2 -0.03 0.07 -0.05 -0.04 7.28 7.23 1ox5A1 PHE 324 HE2 -0.20 0.03 -0.07 -0.04 7.38 7.10 1ox5A1 PHE 324 HZ -0.08 0.11 -0.29 -0.04 7.32 7.02 1ox5A1 VAL 325 H -0.13 0.43 -0.32 -0.55 8.24 7.67 1ox5A1 VAL 325 HA 0.14 0.37 0.63 -0.75 4.13 4.52 1ox5A1 VAL 325 HB 0.20 0.22 -0.10 -0.04 2.12 2.40 1ox5A1 VAL 325 HG13 0.42 0.03 -0.18 -0.04 0.97 1.20 1ox5A1 VAL 325 HG23 0.07 -0.03 -0.33 -0.04 0.95 0.62 1ox5A1 PRO 326 HA -0.13 0.05 0.46 -0.51 4.44 4.31 1ox5A1 PRO 326 HB2 -0.12 -0.05 -0.08 -0.04 2.28 1.99 1ox5A1 PRO 326 HB3 -0.34 0.04 0.07 -0.04 2.02 1.74 1ox5A1 PRO 326 HG2 -0.22 -0.03 0.14 -0.04 2.03 1.88 1ox5A1 PRO 326 HG3 -1.51 0.02 0.05 -0.04 2.03 0.54 1ox5A1 PRO 326 HD2 -0.12 0.30 0.32 -0.04 3.68 4.15 1ox5A1 PRO 326 HD3 -0.78 0.17 0.21 -0.04 3.65 3.21 1ox5A1 LEU 327 H -0.01 0.16 0.27 -0.55 8.37 8.24 1ox5A1 LEU 327 HA 0.09 0.32 1.05 -0.75 4.35 5.05 1ox5A1 LEU 327 HB2 0.09 0.00 0.19 -0.04 1.64 1.88 1ox5A1 LEU 327 HB3 0.27 -0.04 0.02 -0.04 1.64 1.85 1ox5A1 LEU 327 HG 0.01 0.16 -0.05 -0.04 1.64 1.72 1ox5A1 LEU 327 HD13 0.05 0.03 -0.07 -0.04 0.93 0.90 1ox5A1 LEU 327 HD23 0.14 0.00 -0.08 -0.04 0.89 0.90 1ox5A1 THR 328 H 0.12 0.62 0.37 -0.55 8.28 8.84 1ox5A1 THR 328 HA 0.09 0.26 0.99 -0.75 4.39 4.98 1ox5A1 THR 328 HB 0.06 -0.09 -0.02 -0.04 4.32 4.23 1ox5A1 THR 328 HG23 0.04 -0.02 -0.37 -0.04 1.22 0.83 1ox5A1 VAL 329 H 0.03 0.60 0.35 -0.55 8.24 8.66 1ox5A1 VAL 329 HA 0.10 0.29 1.08 -0.75 4.13 4.84 1ox5A1 VAL 329 HB 0.03 0.05 -0.08 -0.04 2.12 2.08 1ox5A1 VAL 329 HG13 -0.23 0.02 0.04 -0.04 0.97 0.76 1ox5A1 VAL 329 HG23 -0.13 -0.01 -0.05 -0.04 0.95 0.71 1ox5A1 GLY 330 H -0.00 0.66 0.45 -0.55 8.43 8.99 1ox5A1 GLY 330 HA2 -0.11 0.17 1.01 -0.51 4.01 4.58 1ox5A1 GLY 330 HA3 -0.04 -0.04 0.36 -0.51 4.01 3.78 1ox5A1 GLY 331 H -0.08 0.10 0.18 -0.55 8.43 8.08 1ox5A1 GLY 331 HA2 -0.03 -0.12 0.48 -0.51 4.01 3.83 1ox5A1 GLY 331 HA3 -0.03 0.45 1.12 -0.51 4.01 5.04 1ox5A1 GLY 332 H -0.03 -0.01 0.21 -0.55 8.43 8.05 1ox5A1 GLY 332 HA2 -0.00 -0.01 0.30 -0.51 4.01 3.79 1ox5A1 GLY 332 HA3 0.00 0.23 0.50 -0.51 4.01 4.23 1ox5A1 ILE 333 H -0.07 -0.06 -0.09 -0.55 8.25 7.48 1ox5A1 ILE 333 HA -0.06 0.20 0.63 -0.75 4.18 4.20 1ox5A1 ILE 333 HB -0.09 -0.08 0.19 -0.04 1.89 1.87 1ox5A1 ILE 333 HG12 -0.21 -0.16 -0.16 -0.04 1.49 0.91 1ox5A1 ILE 333 HG13 -0.23 0.08 0.02 -0.04 1.21 1.03 1ox5A1 ILE 333 HG23 -0.10 0.01 -0.10 -0.04 0.93 0.69 1ox5A1 ILE 333 HD13 -0.49 0.04 -0.18 -0.04 0.88 0.21 1ox5A1 LYS 334 H 0.00 0.55 0.23 -0.55 8.42 8.65 1ox5A1 LYS 334 HA 0.02 -0.02 0.46 -0.75 4.32 4.03 1ox5A1 LYS 334 HB2 0.05 -0.02 0.16 -0.04 1.87 2.02 1ox5A1 LYS 334 HB3 0.03 -0.05 0.01 -0.04 1.79 1.74 1ox5A1 LYS 334 HG2 0.02 -0.14 -0.56 -0.04 1.46 0.73 1ox5A1 LYS 334 HG3 0.03 0.16 -0.40 -0.04 1.46 1.21 1ox5A1 LYS 334 HD2 0.06 0.12 -0.03 -0.04 1.69 1.80 1ox5A1 LYS 334 HD3 0.05 -0.17 -0.06 -0.04 1.68 1.46 1ox5A1 LYS 334 HE2 0.03 -0.08 -0.05 -0.04 2.99 2.84 1ox5A1 LYS 334 HE3 0.03 0.10 -0.07 -0.04 2.99 3.02 1ox5A1 ASP 335 H 0.04 0.11 0.20 -0.55 8.40 8.19 1ox5A1 ASP 335 HA 0.03 0.07 0.70 -0.75 4.63 4.66 1ox5A1 ASP 335 HB2 0.03 0.00 0.18 -0.04 2.71 2.89 1ox5A1 ASP 335 HB3 0.02 0.14 0.03 -0.04 2.70 2.86 1ox5A1 ILE 336 H 0.02 0.65 0.36 -0.55 8.25 8.74 1ox5A1 ILE 336 HA 0.02 0.20 0.96 -0.75 4.18 4.61 1ox5A1 ILE 336 HB 0.02 0.00 0.02 -0.04 1.89 1.89 1ox5A1 ILE 336 HG12 0.02 0.08 0.08 -0.04 1.49 1.63 1ox5A1 ILE 336 HG13 0.02 -0.09 -0.19 -0.04 1.21 0.91 1ox5A1 ILE 336 HG23 0.03 0.04 -0.20 -0.04 0.93 0.76 1ox5A1 ILE 336 HD13 0.02 0.00 -0.04 -0.04 0.88 0.82 1ox5A1 VAL 337 H 0.02 0.26 0.08 -0.55 8.24 8.05 1ox5A1 VAL 337 HA 0.01 0.24 0.76 -0.75 4.13 4.39 1ox5A1 VAL 337 HB 0.01 -0.02 0.16 -0.04 2.12 2.23 1ox5A1 VAL 337 HG13 0.01 0.08 -0.10 -0.04 0.97 0.92 1ox5A1 VAL 337 HG23 0.01 -0.01 -0.13 -0.04 0.95 0.78 1ox5A1 ASP 338 H 0.01 0.50 0.07 -0.55 8.40 8.43 1ox5A1 ASP 338 HA 0.01 0.11 0.42 -0.75 4.63 4.41 1ox5A1 ASP 338 HB2 0.00 0.13 0.12 -0.04 2.71 2.93 1ox5A1 ASP 338 HB3 0.00 -0.13 0.05 -0.04 2.70 2.57 1ox5A1 VAL 339 H 0.00 0.07 0.17 -0.55 8.24 7.93 1ox5A1 VAL 339 HA 0.00 0.18 0.37 -0.75 4.13 3.93 1ox5A1 VAL 339 HB -0.00 -0.11 0.07 -0.04 2.12 2.04 1ox5A1 VAL 339 HG13 0.00 0.02 -0.04 -0.04 0.97 0.91 1ox5A1 VAL 339 HG23 0.00 0.01 -0.19 -0.04 0.95 0.73 1ox5A1 ASP 340 H 0.00 -0.05 -0.27 -0.55 8.40 7.53 1ox5A1 ASP 340 HA 0.00 0.24 0.63 -0.75 4.63 4.74 1ox5A1 ASP 340 HB2 0.00 0.07 0.14 -0.04 2.71 2.88 1ox5A1 ASP 340 HB3 0.00 0.02 0.05 -0.04 2.70 2.72 1ox5A1 GLY 341 H 0.00 0.53 -0.54 -0.55 8.43 7.88 1ox5A1 GLY 341 HA2 0.01 0.08 0.22 -0.51 4.01 3.80 1ox5A1 GLY 341 HA3 0.01 0.15 0.55 -0.51 4.01 4.21 1ox5A1 THR 342 H 0.00 -0.03 -0.46 -0.55 8.28 7.24 1ox5A1 THR 342 HA 0.01 0.08 0.35 -0.75 4.39 4.07 1ox5A1 THR 342 HB 0.01 -0.14 0.00 -0.04 4.32 4.15 1ox5A1 THR 342 HG23 0.01 0.04 -0.15 -0.04 1.22 1.07 1ox5A1 LYS 343 H 0.01 0.15 0.19 -0.55 8.42 8.21 1ox5A1 LYS 343 HA 0.01 0.20 0.78 -0.75 4.32 4.56 1ox5A1 LYS 343 HB2 0.01 -0.02 0.23 -0.04 1.87 2.04 1ox5A1 LYS 343 HB3 0.01 -0.02 0.03 -0.04 1.79 1.77 1ox5A1 LYS 343 HG2 0.01 0.03 0.02 -0.04 1.46 1.48 1ox5A1 LYS 343 HG3 0.01 0.06 0.09 -0.04 1.46 1.57 1ox5A1 LYS 343 HD2 0.01 -0.01 0.04 -0.04 1.69 1.69 1ox5A1 LYS 343 HD3 0.01 -0.03 -0.00 -0.04 1.68 1.62 1ox5A1 LYS 343 HE2 0.01 0.00 -0.01 -0.04 2.99 2.95 1ox5A1 LYS 343 HE3 0.01 0.03 0.01 -0.04 2.99 3.00 1ox5A1 ILE 344 H 0.01 0.59 0.29 -0.55 8.25 8.60 1ox5A1 ILE 344 HA 0.02 0.21 0.88 -0.75 4.18 4.54 1ox5A1 ILE 344 HB 0.01 -0.06 0.13 -0.04 1.89 1.93 1ox5A1 ILE 344 HG12 0.01 0.07 -0.15 -0.04 1.49 1.38 1ox5A1 ILE 344 HG13 0.01 0.06 -0.30 -0.04 1.21 0.93 1ox5A1 ILE 344 HG23 0.01 0.02 -0.12 -0.04 0.93 0.80 1ox5A1 ILE 344 HD13 0.00 -0.02 -0.03 -0.04 0.88 0.79 1ox5A1 PRO 345 HA 0.03 0.05 0.56 -0.51 4.44 4.57 1ox5A1 PRO 345 HB2 0.03 -0.09 0.05 -0.04 2.28 2.23 1ox5A1 PRO 345 HB3 0.03 0.13 0.12 -0.04 2.02 2.25 1ox5A1 PRO 345 HG2 0.04 -0.12 0.12 -0.04 2.03 2.02 1ox5A1 PRO 345 HG3 0.03 0.15 0.09 -0.04 2.03 2.27 1ox5A1 PRO 345 HD2 0.02 0.13 0.30 -0.04 3.68 4.09 1ox5A1 PRO 345 HD3 0.02 0.29 0.09 -0.04 3.65 4.01 1ox5A1 ALA 346 H 0.03 0.15 0.06 -0.55 8.40 8.09 1ox5A1 ALA 346 HA 0.01 0.26 0.22 -0.75 4.34 4.08 1ox5A1 ALA 346 HB3 0.02 -0.03 -0.07 -0.04 1.41 1.30 1ox5A1 LEU 347 H 0.04 0.09 -0.42 -0.55 8.37 7.54 1ox5A1 LEU 347 HA 0.08 0.07 0.31 -0.75 4.35 4.06 1ox5A1 LEU 347 HB2 0.08 -0.03 -0.06 -0.04 1.64 1.59 1ox5A1 LEU 347 HB3 0.07 -0.01 -0.01 -0.04 1.64 1.65 1ox5A1 LEU 347 HG 0.14 0.03 -0.24 -0.04 1.64 1.53 1ox5A1 LEU 347 HD13 0.22 0.02 -0.10 -0.04 0.93 1.02 1ox5A1 LEU 347 HD23 0.08 0.02 -0.05 -0.04 0.89 0.90 1ox5A1 GLU 348 H 0.04 0.32 -0.16 -0.55 8.60 8.26 1ox5A1 GLU 348 HA 0.07 0.12 0.47 -0.75 4.29 4.19 1ox5A1 GLU 348 HB2 0.03 0.08 0.06 -0.04 2.09 2.22 1ox5A1 GLU 348 HB3 0.03 0.01 0.03 -0.04 1.99 2.02 1ox5A1 GLU 348 HG2 0.06 0.06 0.01 -0.04 2.34 2.42 1ox5A1 GLU 348 HG3 0.05 -0.09 0.03 -0.04 2.34 2.29 1ox5A1 VAL 349 H 0.02 0.27 -0.30 -0.55 8.24 7.68 1ox5A1 VAL 349 HA 0.02 0.07 0.40 -0.75 4.13 3.86 1ox5A1 VAL 349 HB 0.01 0.05 0.16 -0.04 2.12 2.30 1ox5A1 VAL 349 HG13 0.14 0.01 -0.04 -0.04 0.97 1.03 1ox5A1 VAL 349 HG23 0.03 0.06 -0.03 -0.04 0.95 0.97 1ox5A1 ALA 350 H -0.07 0.53 -0.08 -0.55 8.40 8.24 1ox5A1 ALA 350 HA -0.37 0.00 0.34 -0.75 4.34 3.56 1ox5A1 ALA 350 HB3 -0.37 0.03 0.05 -0.04 1.41 1.08 1ox5A1 SER 351 H -0.06 0.41 -0.27 -0.55 8.46 7.99 1ox5A1 SER 351 HA 0.07 0.00 0.36 -0.75 4.49 4.17 1ox5A1 SER 351 HB2 0.08 0.06 0.15 -0.04 3.95 4.20 1ox5A1 SER 351 HB3 0.16 0.02 0.01 -0.04 3.93 4.08 1ox5A1 LEU 352 H -0.05 0.38 -0.34 -0.55 8.37 7.82 1ox5A1 LEU 352 HA -0.04 0.05 0.36 -0.75 4.35 3.97 1ox5A1 LEU 352 HB2 -0.06 0.07 0.12 -0.04 1.64 1.73 1ox5A1 LEU 352 HB3 -0.16 0.11 0.12 -0.04 1.64 1.68 1ox5A1 LEU 352 HG -0.23 0.01 -0.13 -0.04 1.64 1.25 1ox5A1 LEU 352 HD13 -0.06 0.00 0.00 -0.04 0.93 0.83 1ox5A1 LEU 352 HD23 -0.13 -0.02 -0.13 -0.04 0.89 0.57 1ox5A1 TYR 353 H -0.05 0.39 -0.19 -0.55 8.29 7.88 1ox5A1 TYR 353 HA -0.10 0.03 0.37 -0.75 4.56 4.11 1ox5A1 TYR 353 HB2 -0.38 0.10 0.11 -0.04 3.06 2.84 1ox5A1 TYR 353 HB3 -0.19 -0.05 -0.08 -0.04 2.98 2.63 1ox5A1 TYR 353 HD2 -0.14 0.14 -0.09 -0.04 7.15 7.02 1ox5A1 TYR 353 HE2 -0.08 -0.05 -0.13 -0.04 6.85 6.55 1ox5A1 PHE 354 H -0.18 0.53 -0.22 -0.55 8.34 7.92 1ox5A1 PHE 354 HA -0.04 0.28 0.41 -0.75 4.62 4.51 1ox5A1 PHE 354 HB2 -0.14 0.07 0.13 -0.04 3.15 3.17 1ox5A1 PHE 354 HB3 -0.12 -0.15 -0.08 -0.04 3.06 2.67 1ox5A1 PHE 354 HD2 -0.57 0.01 -0.26 -0.04 7.28 6.41 1ox5A1 PHE 354 HE2 -0.51 -0.10 -0.31 -0.04 7.38 6.42 1ox5A1 PHE 354 HZ -0.18 0.02 -0.07 -0.04 7.32 7.05 1ox5A1 ARG 355 H 0.11 0.58 -0.13 -0.55 8.46 8.47 1ox5A1 ARG 355 HA 0.07 0.09 0.32 -0.75 4.34 4.07 1ox5A1 ARG 355 HB2 0.03 0.10 0.08 -0.04 1.90 2.07 1ox5A1 ARG 355 HB3 0.03 -0.05 0.03 -0.04 1.80 1.78 1ox5A1 ARG 355 HG2 0.08 -0.03 -0.09 -0.04 1.67 1.58 1ox5A1 ARG 355 HG3 0.13 -0.06 -0.07 -0.04 1.67 1.63 1ox5A1 ARG 355 HD2 0.12 0.04 -0.08 -0.04 3.22 3.26 1ox5A1 ARG 355 HD3 0.10 0.19 -0.10 -0.04 3.22 3.37 1ox5A1 SER 356 H 0.02 0.16 -0.85 -0.55 8.46 7.24 1ox5A1 SER 356 HA -0.03 0.12 0.68 -0.75 4.49 4.50 1ox5A1 SER 356 HB2 -0.07 0.03 0.14 -0.04 3.95 4.00 1ox5A1 SER 356 HB3 -0.09 0.05 0.18 -0.04 3.93 4.03 1ox5A1 GLY 357 H 0.05 0.45 -0.19 -0.55 8.43 8.19 1ox5A1 GLY 357 HA2 0.01 -0.11 0.24 -0.51 4.01 3.64 1ox5A1 GLY 357 HA3 -0.02 0.21 0.75 -0.51 4.01 4.44 1ox5A1 ALA 358 H 0.09 0.44 0.14 -0.55 8.40 8.53 1ox5A1 ALA 358 HA 0.10 0.07 0.52 -0.75 4.34 4.27 1ox5A1 ALA 358 HB3 0.15 -0.02 -0.16 -0.04 1.41 1.34 1ox5A1 ASP 359 H 0.09 0.69 0.45 -0.55 8.40 9.08 1ox5A1 ASP 359 HA -0.10 0.12 0.88 -0.75 4.63 4.78 1ox5A1 ASP 359 HB2 -0.01 -0.01 0.17 -0.04 2.71 2.81 1ox5A1 ASP 359 HB3 -0.08 0.01 0.09 -0.04 2.70 2.68 1ox5A1 LYS 360 H 0.13 0.27 0.35 -0.55 8.42 8.62 1ox5A1 LYS 360 HA 0.17 0.26 0.77 -0.75 4.32 4.77 1ox5A1 LYS 360 HB2 0.07 -0.15 -0.09 -0.04 1.87 1.66 1ox5A1 LYS 360 HB3 0.07 0.00 -0.15 -0.04 1.79 1.66 1ox5A1 LYS 360 HG2 0.02 0.25 0.06 -0.04 1.46 1.74 1ox5A1 LYS 360 HG3 0.04 -0.11 -0.44 -0.04 1.46 0.90 1ox5A1 LYS 360 HD2 0.05 -0.12 -0.25 -0.04 1.69 1.33 1ox5A1 LYS 360 HD3 0.06 0.22 -0.09 -0.04 1.68 1.83 1ox5A1 LYS 360 HE2 0.11 0.03 -0.19 -0.04 2.99 2.90 1ox5A1 LYS 360 HE3 0.07 -0.13 -0.26 -0.04 2.99 2.64 1ox5A1 VAL 361 H 0.15 0.66 0.31 -0.55 8.24 8.81 1ox5A1 VAL 361 HA -0.06 0.28 1.10 -0.75 4.13 4.70 1ox5A1 VAL 361 HB -0.17 -0.06 0.05 -0.04 2.12 1.91 1ox5A1 VAL 361 HG13 -0.41 -0.01 -0.09 -0.04 0.97 0.42 1ox5A1 VAL 361 HG23 0.02 0.01 0.02 -0.04 0.95 0.96 1ox5A1 SER 362 H -0.07 0.64 0.44 -0.55 8.46 8.92 1ox5A1 SER 362 HA -0.01 0.31 0.92 -0.75 4.49 4.95 1ox5A1 SER 362 HB2 -0.00 0.06 -0.22 -0.04 3.95 3.74 1ox5A1 SER 362 HB3 -0.03 -0.15 0.03 -0.04 3.93 3.75 1ox5A1 ILE 363 H -0.02 0.82 0.41 -0.55 8.25 8.91 1ox5A1 ILE 363 HA -0.04 0.06 1.01 -0.75 4.18 4.46 1ox5A1 ILE 363 HB -0.02 0.04 0.14 -0.04 1.89 2.01 1ox5A1 ILE 363 HG12 -0.02 0.16 -0.14 -0.04 1.49 1.45 1ox5A1 ILE 363 HG13 -0.01 -0.03 -0.14 -0.04 1.21 1.00 1ox5A1 ILE 363 HG23 -0.02 -0.02 -0.08 -0.04 0.93 0.77 1ox5A1 ILE 363 HD13 -0.04 0.04 -0.18 -0.04 0.88 0.66 1ox5A1 GLY 364 H -0.04 0.04 0.19 -0.55 8.43 8.07 1ox5A1 GLY 364 HA2 -0.03 0.51 1.06 -0.51 4.01 5.03 1ox5A1 GLY 364 HA3 -0.04 0.00 0.44 -0.51 4.01 3.91 1ox5A1 THR 365 H -0.07 0.12 0.27 -0.55 8.28 8.05 1ox5A1 THR 365 HA -0.20 0.15 0.53 -0.75 4.39 4.11 1ox5A1 THR 365 HB -0.09 0.00 0.24 -0.04 4.32 4.43 1ox5A1 THR 365 HG23 -0.31 0.06 -0.04 -0.04 1.22 0.88 1ox5A1 ASP 366 H -0.07 0.10 -0.01 -0.55 8.40 7.87 1ox5A1 ASP 366 HA 0.00 0.11 0.47 -0.75 4.63 4.47 1ox5A1 ASP 366 HB2 0.01 0.04 0.19 -0.04 2.71 2.90 1ox5A1 ASP 366 HB3 0.03 0.03 0.04 -0.04 2.70 2.76 1ox5A1 ALA 367 H -0.06 0.25 -0.62 -0.55 8.40 7.42 1ox5A1 ALA 367 HA 0.00 0.03 0.42 -0.75 4.34 4.04 1ox5A1 ALA 367 HB3 -0.02 0.09 -0.01 -0.04 1.41 1.43 1ox5A1 VAL 368 H -0.09 0.34 -0.09 -0.55 8.24 7.86 1ox5A1 VAL 368 HA 0.05 0.08 0.43 -0.75 4.13 3.94 1ox5A1 VAL 368 HB -0.17 0.10 0.12 -0.04 2.12 2.13 1ox5A1 VAL 368 HG13 0.07 -0.00 -0.16 -0.04 0.97 0.84 1ox5A1 VAL 368 HG23 -0.02 0.06 -0.01 -0.04 0.95 0.94 1ox5A1 TYR 369 H -0.05 0.27 -0.14 -0.55 8.29 7.81 1ox5A1 TYR 369 HA 0.06 0.08 0.36 -0.75 4.56 4.31 1ox5A1 TYR 369 HB2 0.03 0.02 0.17 -0.04 3.06 3.25 1ox5A1 TYR 369 HB3 0.04 0.03 0.01 -0.04 2.98 3.01 1ox5A1 TYR 369 HD2 0.03 -0.03 -0.03 -0.04 7.15 7.09 1ox5A1 TYR 369 HE2 0.03 0.02 -0.04 -0.04 6.85 6.81 1ox5A1 ALA 370 H 0.14 0.48 -0.12 -0.55 8.40 8.36 1ox5A1 ALA 370 HA 0.10 0.01 0.40 -0.75 4.34 4.10 1ox5A1 ALA 370 HB3 0.05 0.01 0.12 -0.04 1.41 1.56 1ox5A1 ALA 371 H 0.09 0.35 -0.42 -0.55 8.40 7.87 1ox5A1 ALA 371 HA 0.01 0.05 0.42 -0.75 4.34 4.07 1ox5A1 ALA 371 HB3 0.12 0.05 0.10 -0.04 1.41 1.64 1ox5A1 GLU 372 H 0.18 0.45 -0.14 -0.55 8.60 8.54 1ox5A1 GLU 372 HA 0.27 0.04 0.43 -0.75 4.29 4.28 1ox5A1 GLU 372 HB2 0.17 0.10 0.18 -0.04 2.09 2.50 1ox5A1 GLU 372 HB3 0.14 -0.01 0.02 -0.04 1.99 2.09 1ox5A1 GLU 372 HG2 0.16 -0.03 -0.03 -0.04 2.34 2.40 1ox5A1 GLU 372 HG3 0.18 0.21 0.06 -0.04 2.34 2.75 1ox5A1 LYS 373 H 0.13 0.51 -0.10 -0.55 8.42 8.41 1ox5A1 LYS 373 HA 0.07 0.03 0.39 -0.75 4.32 4.06 1ox5A1 LYS 373 HB2 0.08 0.10 0.13 -0.04 1.87 2.14 1ox5A1 LYS 373 HB3 0.08 0.06 0.12 -0.04 1.79 2.02 1ox5A1 LYS 373 HG2 0.04 0.01 -0.02 -0.04 1.46 1.44 1ox5A1 LYS 373 HG3 0.03 0.01 0.05 -0.04 1.46 1.52 1ox5A1 LYS 373 HD2 0.04 -0.09 -0.00 -0.04 1.69 1.60 1ox5A1 LYS 373 HD3 0.02 0.01 -0.01 -0.04 1.68 1.67 1ox5A1 LYS 373 HE2 0.00 0.03 -0.01 -0.04 2.99 2.97 1ox5A1 LYS 373 HE3 0.03 0.04 -0.04 -0.04 2.99 2.97 1ox5A1 TYR 374 H 0.16 0.41 -0.26 -0.55 8.29 8.05 1ox5A1 TYR 374 HA -0.07 0.23 0.42 -0.75 4.56 4.38 1ox5A1 TYR 374 HB2 -0.11 -0.01 0.09 -0.04 3.06 2.98 1ox5A1 TYR 374 HB3 -0.26 0.19 0.18 -0.04 2.98 3.05 1ox5A1 TYR 374 HD2 -0.73 -0.01 -0.27 -0.04 7.15 6.09 1ox5A1 TYR 374 HE2 -0.24 0.03 -0.21 -0.04 6.85 6.39 1ox5A1 TYR 375 H 0.14 0.41 -0.22 -0.55 8.29 8.07 1ox5A1 TYR 375 HA -0.09 -0.02 0.57 -0.75 4.56 4.27 1ox5A1 TYR 375 HB2 0.08 0.11 0.16 -0.04 3.06 3.37 1ox5A1 TYR 375 HB3 0.04 -0.02 0.08 -0.04 2.98 3.04 1ox5A1 TYR 375 HD2 0.11 0.05 0.03 -0.04 7.15 7.31 1ox5A1 TYR 375 HE2 0.16 0.01 -0.06 -0.04 6.85 6.91 1ox5A1 GLU 376 H 0.08 0.35 -0.22 -0.55 8.60 8.26 1ox5A1 GLU 376 HA 0.04 0.06 0.53 -0.75 4.29 4.17 1ox5A1 GLU 376 HB2 0.04 0.14 0.21 -0.04 2.09 2.43 1ox5A1 GLU 376 HB3 0.02 -0.04 0.03 -0.04 1.99 1.97 1ox5A1 GLU 376 HG2 0.05 -0.03 0.04 -0.04 2.34 2.36 1ox5A1 GLU 376 HG3 0.08 0.13 0.05 -0.04 2.34 2.57 1ox5A1 LEU 377 H -0.05 0.41 -0.11 -0.55 8.37 8.08 1ox5A1 LEU 377 HA -0.04 0.07 0.46 -0.75 4.35 4.09 1ox5A1 LEU 377 HB2 -0.12 0.18 0.08 -0.04 1.64 1.74 1ox5A1 LEU 377 HB3 -0.06 -0.04 0.05 -0.04 1.64 1.56 1ox5A1 LEU 377 HG -0.01 0.24 0.07 -0.04 1.64 1.90 1ox5A1 LEU 377 HD13 -0.00 -0.01 -0.10 -0.04 0.93 0.78 1ox5A1 LEU 377 HD23 -0.01 -0.02 -0.07 -0.04 0.89 0.76 1ox5A1 GLY 378 H -0.08 0.16 -0.84 -0.55 8.43 7.13 1ox5A1 GLY 378 HA2 -0.05 0.04 0.25 -0.51 4.01 3.74 1ox5A1 GLY 378 HA3 -0.07 0.08 0.51 -0.51 4.01 4.02 1ox5A1 ASN 379 H -0.37 0.19 0.14 -0.55 8.53 7.94 1ox5A1 ASN 379 HA -1.58 -0.03 0.21 -0.75 4.76 2.61 1ox5A1 ASN 379 HB2 -0.13 0.16 0.22 -0.04 2.88 3.09 1ox5A1 ASN 379 HB3 -0.11 -0.04 0.14 -0.04 2.79 2.73 1ox5A1 ASN 379 HD21 0.07 -0.04 -0.07 -0.04 7.03 6.95 1ox5A1 ASN 379 HD22 0.01 0.07 -0.09 -0.04 7.74 7.69 1ox5A1 ARG 380 H -0.61 0.34 -0.03 -0.55 8.46 7.62 1ox5A1 ARG 380 HA -0.03 0.13 0.64 -0.75 4.34 4.32 1ox5A1 ARG 380 HB2 -0.09 -0.01 -0.16 -0.04 1.90 1.60 1ox5A1 ARG 380 HB3 -0.03 -0.03 0.08 -0.04 1.80 1.78 1ox5A1 ARG 380 HG2 -0.09 0.18 -0.32 -0.04 1.67 1.40 1ox5A1 ARG 380 HG3 -0.13 0.13 -0.59 -0.04 1.67 1.04 1ox5A1 ARG 380 HD2 -0.04 -0.05 -0.05 -0.04 3.22 3.05 1ox5A1 ARG 380 HD3 -0.03 -0.05 -0.02 -0.04 3.22 3.08 1ox5A1 GLY 381 H 0.07 0.22 0.15 -0.55 8.43 8.33 1ox5A1 GLY 381 HA2 0.09 0.16 0.89 -0.51 4.01 4.64 1ox5A1 GLY 381 HA3 0.10 -0.03 0.34 -0.51 4.01 3.91 1ox5A1 ASP 382 H 0.04 0.04 0.17 -0.55 8.40 8.10 1ox5A1 ASP 382 HA 0.01 0.30 0.75 -0.75 4.63 4.94 1ox5A1 ASP 382 HB2 0.01 0.06 0.15 -0.04 2.71 2.89 1ox5A1 ASP 382 HB3 0.01 0.10 0.03 -0.04 2.70 2.81 1ox5A1 GLY 383 H 0.03 -0.01 -0.15 -0.55 8.43 7.77 1ox5A1 GLY 383 HA2 0.03 0.04 0.26 -0.51 4.01 3.82 1ox5A1 GLY 383 HA3 0.02 0.21 0.37 -0.51 4.01 4.11 1ox5A1 THR 384 H 0.03 -0.08 -0.22 -0.55 8.28 7.45 1ox5A1 THR 384 HA 0.03 0.31 0.92 -0.75 4.39 4.90 1ox5A1 THR 384 HB 0.02 -0.00 0.08 -0.04 4.32 4.38 1ox5A1 THR 384 HG23 0.02 0.06 -0.17 -0.04 1.22 1.10 1ox5A1 SER 385 H 0.04 -0.03 0.03 -0.55 8.46 7.95 1ox5A1 SER 385 HA 0.04 0.18 0.51 -0.75 4.49 4.47 1ox5A1 SER 385 HB2 0.04 0.04 0.13 -0.04 3.95 4.12 1ox5A1 SER 385 HB3 0.05 0.06 0.14 -0.04 3.93 4.13 1ox5A1 PRO 386 HA 0.03 0.03 0.30 -0.51 4.44 4.30 1ox5A1 PRO 386 HB2 0.01 0.04 -0.02 -0.04 2.28 2.27 1ox5A1 PRO 386 HB3 0.01 0.06 -0.05 -0.04 2.02 2.01 1ox5A1 PRO 386 HG2 0.03 0.06 0.14 -0.04 2.03 2.22 1ox5A1 PRO 386 HG3 0.03 -0.05 0.13 -0.04 2.03 2.10 1ox5A1 PRO 386 HD2 0.04 0.11 0.21 -0.04 3.68 4.00 1ox5A1 PRO 386 HD3 0.05 0.20 0.28 -0.04 3.65 4.13 1ox5A1 ILE 387 H 0.02 0.06 -0.30 -0.55 8.25 7.48 1ox5A1 ILE 387 HA 0.02 0.09 0.19 -0.75 4.18 3.72 1ox5A1 ILE 387 HB -0.00 -0.06 -0.06 -0.04 1.89 1.72 1ox5A1 ILE 387 HG12 -0.01 0.05 -0.08 -0.04 1.49 1.41 1ox5A1 ILE 387 HG13 0.01 -0.14 -0.04 -0.04 1.21 0.99 1ox5A1 ILE 387 HG23 -0.02 0.09 -0.34 -0.04 0.93 0.61 1ox5A1 ILE 387 HD13 -0.02 0.00 -0.02 -0.04 0.88 0.80 1ox5A1 GLU 388 H 0.02 -0.05 -0.32 -0.55 8.60 7.70 1ox5A1 GLU 388 HA 0.02 0.39 0.47 -0.75 4.29 4.41 1ox5A1 GLU 388 HB2 0.03 -0.09 -0.01 -0.04 2.09 1.97 1ox5A1 GLU 388 HB3 0.03 0.08 -0.07 -0.04 1.99 1.99 1ox5A1 GLU 388 HG2 0.02 0.24 0.09 -0.04 2.34 2.64 1ox5A1 GLU 388 HG3 0.01 -0.05 0.05 -0.04 2.34 2.31 1ox5A1 THR 389 H 0.04 0.43 -0.15 -0.55 8.28 8.05 1ox5A1 THR 389 HA 0.04 0.14 0.38 -0.75 4.39 4.19 1ox5A1 THR 389 HB 0.06 -0.02 -0.03 -0.04 4.32 4.29 1ox5A1 THR 389 HG23 0.04 0.02 -0.07 -0.04 1.22 1.16 1ox5A1 ILE 390 H 0.07 0.53 -0.16 -0.55 8.25 8.14 1ox5A1 ILE 390 HA 0.22 0.04 0.45 -0.75 4.18 4.14 1ox5A1 ILE 390 HB 0.09 0.13 0.00 -0.04 1.89 2.07 1ox5A1 ILE 390 HG12 0.09 -0.01 -0.06 -0.04 1.49 1.47 1ox5A1 ILE 390 HG13 0.07 -0.09 -0.06 -0.04 1.21 1.08 1ox5A1 ILE 390 HG23 0.22 0.01 -0.18 -0.04 0.93 0.94 1ox5A1 ILE 390 HD13 -0.01 -0.02 -0.17 -0.04 0.88 0.64 1ox5A1 SER 391 H 0.07 0.43 -0.25 -0.55 8.46 8.16 1ox5A1 SER 391 HA 0.08 0.20 0.22 -0.75 4.49 4.24 1ox5A1 SER 391 HB2 0.04 -0.05 -0.08 -0.04 3.95 3.81 1ox5A1 SER 391 HB3 0.04 -0.00 -0.03 -0.04 3.93 3.90 1ox5A1 LYS 392 H 0.03 0.34 -0.33 -0.55 8.42 7.92 1ox5A1 LYS 392 HA 0.00 0.07 0.55 -0.75 4.32 4.20 1ox5A1 LYS 392 HB2 0.02 0.07 0.14 -0.04 1.87 2.06 1ox5A1 LYS 392 HB3 0.01 -0.05 0.06 -0.04 1.79 1.76 1ox5A1 LYS 392 HG2 0.01 -0.04 0.06 -0.04 1.46 1.45 1ox5A1 LYS 392 HG3 0.02 0.06 0.05 -0.04 1.46 1.55 1ox5A1 LYS 392 HD2 0.02 0.01 -0.09 -0.04 1.69 1.59 1ox5A1 LYS 392 HD3 0.02 -0.04 0.00 -0.04 1.68 1.62 1ox5A1 LYS 392 HE2 0.02 0.00 0.01 -0.04 2.99 2.98 1ox5A1 LYS 392 HE3 0.02 0.07 0.03 -0.04 2.99 3.06 1ox5A1 ALA 393 H -0.02 0.23 -0.30 -0.55 8.40 7.76 1ox5A1 ALA 393 HA -0.39 0.10 0.71 -0.75 4.34 4.01 1ox5A1 ALA 393 HB3 -0.32 0.01 0.11 -0.04 1.41 1.17 1ox5A1 TYR 394 H 0.06 0.68 0.14 -0.55 8.29 8.62 1ox5A1 TYR 394 HA -0.16 0.08 0.97 -0.75 4.56 4.70 1ox5A1 TYR 394 HB2 -0.02 0.12 0.06 -0.04 3.06 3.19 1ox5A1 TYR 394 HB3 -0.23 -0.01 0.12 -0.04 2.98 2.82 1ox5A1 TYR 394 HD2 -0.06 0.06 -0.02 -0.04 7.15 7.09 1ox5A1 TYR 394 HE2 0.09 -0.03 -0.07 -0.04 6.85 6.80 1ox5A1 GLY 395 H 0.01 0.26 -0.22 -0.55 8.43 7.94 1ox5A1 GLY 395 HA2 0.05 0.13 0.40 -0.51 4.01 4.09 1ox5A1 GLY 395 HA3 0.05 0.06 0.59 -0.51 4.01 4.21 1ox5A1 ALA 396 H 0.07 0.13 0.18 -0.55 8.40 8.23 1ox5A1 ALA 396 HA 0.03 0.22 0.51 -0.75 4.34 4.35 1ox5A1 ALA 396 HB3 0.01 0.02 0.01 -0.04 1.41 1.40 1ox5A1 GLN 397 H 0.03 0.04 -0.19 -0.55 8.47 7.81 1ox5A1 GLN 397 HA 0.01 0.11 0.24 -0.75 4.36 3.96 1ox5A1 GLN 397 HB2 0.01 0.04 -0.04 -0.04 2.15 2.12 1ox5A1 GLN 397 HB3 0.02 -0.10 -0.08 -0.04 2.02 1.82 1ox5A1 GLN 397 HG2 0.00 0.10 -0.31 -0.04 2.40 2.15 1ox5A1 GLN 397 HG3 0.03 0.18 -0.08 -0.04 2.39 2.48 1ox5A1 GLN 397 HE21 0.07 -0.07 0.03 -0.04 6.97 6.96 1ox5A1 GLN 397 HE22 0.05 0.11 0.11 -0.04 7.69 7.92 1ox5A1 ALA 398 H 0.03 0.34 -0.75 -0.55 8.40 7.48 1ox5A1 ALA 398 HA -0.01 0.23 0.80 -0.75 4.34 4.61 1ox5A1 ALA 398 HB3 -0.03 0.03 -0.03 -0.04 1.41 1.34 1ox5A1 VAL 399 H 0.04 0.58 -0.10 -0.55 8.24 8.21 1ox5A1 VAL 399 HA 0.06 0.17 1.05 -0.75 4.13 4.65 1ox5A1 VAL 399 HB 0.03 0.08 0.17 -0.04 2.12 2.36 1ox5A1 VAL 399 HG13 0.01 -0.05 -0.19 -0.04 0.97 0.70 1ox5A1 VAL 399 HG23 0.08 0.03 -0.23 -0.04 0.95 0.78 1ox5A1 VAL 400 H 0.02 0.61 0.34 -0.55 8.24 8.66 1ox5A1 VAL 400 HA 0.00 0.32 0.91 -0.75 4.13 4.60 1ox5A1 VAL 400 HB 0.01 -0.12 -0.08 -0.04 2.12 1.89 1ox5A1 VAL 400 HG13 0.01 -0.02 -0.35 -0.04 0.97 0.57 1ox5A1 VAL 400 HG23 0.03 0.04 -0.34 -0.04 0.95 0.64 1ox5A1 ILE 401 H -0.01 0.64 0.31 -0.55 8.25 8.64 1ox5A1 ILE 401 HA -0.02 0.16 1.02 -0.75 4.18 4.59 1ox5A1 ILE 401 HB -0.03 0.01 0.16 -0.04 1.89 2.00 1ox5A1 ILE 401 HG12 -0.02 0.07 -0.13 -0.04 1.49 1.36 1ox5A1 ILE 401 HG13 -0.04 0.02 -0.08 -0.04 1.21 1.07 1ox5A1 ILE 401 HG23 -0.02 -0.01 -0.20 -0.04 0.93 0.65 1ox5A1 ILE 401 HD13 -0.02 -0.01 -0.07 -0.04 0.88 0.74 1ox5A1 SER 402 H -0.02 0.63 0.18 -0.55 8.46 8.71 1ox5A1 SER 402 HA -0.01 0.19 0.73 -0.75 4.49 4.64 1ox5A1 SER 402 HB2 -0.01 -0.04 -0.15 -0.04 3.95 3.72 1ox5A1 SER 402 HB3 -0.02 -0.15 -0.04 -0.04 3.93 3.68 1ox5A1 VAL 403 H -0.01 0.76 0.30 -0.55 8.24 8.75 1ox5A1 VAL 403 HA 0.01 0.06 0.76 -0.75 4.13 4.21 1ox5A1 VAL 403 HB -0.00 0.03 0.14 -0.04 2.12 2.24 1ox5A1 VAL 403 HG13 0.04 -0.01 -0.15 -0.04 0.97 0.81 1ox5A1 VAL 403 HG23 -0.00 0.03 -0.19 -0.04 0.95 0.75 1ox5A1 ASP 404 H 0.02 0.19 0.04 -0.55 8.40 8.10 1ox5A1 ASP 404 HA 0.02 0.12 0.67 -0.75 4.63 4.68 1ox5A1 ASP 404 HB2 0.00 0.01 0.12 -0.04 2.71 2.80 1ox5A1 ASP 404 HB3 0.01 0.03 -0.01 -0.04 2.70 2.68 1ox5A1 PRO 405 HA 0.06 0.49 0.80 -0.51 4.44 5.28 1ox5A1 PRO 405 HB2 0.30 -0.05 -0.09 -0.04 2.28 2.40 1ox5A1 PRO 405 HB3 0.13 -0.03 -0.15 -0.04 2.02 1.94 1ox5A1 PRO 405 HG2 0.11 -0.08 -0.01 -0.04 2.03 2.00 1ox5A1 PRO 405 HG3 0.04 0.08 -0.05 -0.04 2.03 2.06 1ox5A1 PRO 405 HD2 0.03 0.04 -0.27 -0.04 3.68 3.44 1ox5A1 PRO 405 HD3 0.03 0.04 -0.71 -0.04 3.65 2.97 1ox5A1 LYS 406 H -0.00 0.42 0.26 -0.55 8.42 8.54 1ox5A1 LYS 406 HA -0.03 -0.05 0.64 -0.75 4.32 4.12 1ox5A1 LYS 406 HB2 -0.10 0.03 0.10 -0.04 1.87 1.85 1ox5A1 LYS 406 HB3 -0.05 0.03 -0.20 -0.04 1.79 1.53 1ox5A1 LYS 406 HG2 -0.19 -0.07 0.06 -0.04 1.46 1.21 1ox5A1 LYS 406 HG3 -0.20 0.12 -0.17 -0.04 1.46 1.18 1ox5A1 LYS 406 HD2 -0.06 0.00 -0.10 -0.04 1.69 1.49 1ox5A1 LYS 406 HD3 -0.08 -0.01 -0.10 -0.04 1.68 1.45 1ox5A1 LYS 406 HE2 -0.06 0.02 -0.05 -0.04 2.99 2.86 1ox5A1 LYS 406 HE3 -0.11 0.00 -0.05 -0.04 2.99 2.79 1ox5A1 ARG 407 H -0.31 0.10 0.14 -0.55 8.46 7.83 1ox5A1 ARG 407 HA -1.20 0.11 0.58 -0.75 4.34 3.07 1ox5A1 ARG 407 HB2 -0.79 -0.05 0.05 -0.04 1.90 1.07 1ox5A1 ARG 407 HB3 -0.40 0.01 0.11 -0.04 1.80 1.48 1ox5A1 ARG 407 HG2 -0.93 -0.00 -0.31 -0.04 1.67 0.39 1ox5A1 ARG 407 HG3 -0.95 0.01 -0.10 -0.04 1.67 0.59 1ox5A1 ARG 407 HD2 -0.28 0.01 -0.07 -0.04 3.22 2.84 1ox5A1 ARG 407 HD3 -0.93 0.09 -0.13 -0.04 3.22 2.21 1ox5A1 VAL 408 H -0.86 0.62 0.39 -0.55 8.24 7.84 1ox5A1 VAL 408 HA -0.36 0.12 0.84 -0.75 4.13 3.98 1ox5A1 VAL 408 HB -1.72 -0.04 0.13 -0.04 2.12 0.45 1ox5A1 VAL 408 HG13 -0.11 0.02 -0.09 -0.04 0.97 0.75 1ox5A1 VAL 408 HG23 -0.66 0.02 -0.12 -0.04 0.95 0.15 1ox5A1 TYR 409 H -0.01 0.14 0.14 -0.55 8.29 8.01 1ox5A1 TYR 409 HA -0.09 0.21 0.87 -0.75 4.56 4.80 1ox5A1 TYR 409 HB2 -0.07 -0.04 0.15 -0.04 3.06 3.07 1ox5A1 TYR 409 HB3 -0.04 -0.02 0.02 -0.04 2.98 2.90 1ox5A1 TYR 409 HD2 -0.09 0.09 -0.01 -0.04 7.15 7.11 1ox5A1 TYR 409 HE2 -0.06 0.10 -0.09 -0.04 6.85 6.75 1ox5A1 VAL 410 H 0.19 0.68 0.24 -0.55 8.24 8.81 1ox5A1 VAL 410 HA 0.12 0.14 0.68 -0.75 4.13 4.31 1ox5A1 VAL 410 HB 0.08 -0.04 0.02 -0.04 2.12 2.14 1ox5A1 VAL 410 HG13 0.26 0.02 -0.34 -0.04 0.97 0.87 1ox5A1 VAL 410 HG23 0.14 -0.01 -0.35 -0.04 0.95 0.69 1ox5A1 ASN 411 H 0.07 0.18 0.14 -0.55 8.53 8.38 1ox5A1 ASN 411 HA 0.11 0.03 0.57 -0.75 4.76 4.73 1ox5A1 ASN 411 HB2 0.04 -0.01 0.12 -0.04 2.88 2.99 1ox5A1 ASN 411 HB3 0.05 0.05 0.03 -0.04 2.79 2.88 1ox5A1 ASN 411 HD21 0.02 0.05 -0.01 -0.04 7.03 7.04 1ox5A1 ASN 411 HD22 0.03 0.00 0.03 -0.04 7.74 7.76 1ox5A1 SER 412 H 0.02 0.17 -0.04 -0.55 8.46 8.07 1ox5A1 SER 412 HA -0.32 0.19 0.43 -0.75 4.49 4.03 1ox5A1 SER 412 HB2 -0.18 -0.02 0.13 -0.04 3.95 3.84 1ox5A1 SER 412 HB3 -0.05 0.21 -0.13 -0.04 3.93 3.92 1ox5A1 GLN 413 H -0.34 0.24 0.10 -0.55 8.47 7.92 1ox5A1 GLN 413 HA -0.18 0.12 0.37 -0.75 4.36 3.92 1ox5A1 GLN 413 HB2 -0.25 0.00 0.09 -0.04 2.15 1.95 1ox5A1 GLN 413 HB3 -0.19 0.00 0.07 -0.04 2.02 1.86 1ox5A1 GLN 413 HG2 -0.14 0.02 -0.00 -0.04 2.40 2.23 1ox5A1 GLN 413 HG3 -0.14 0.07 -0.06 -0.04 2.39 2.22 1ox5A1 GLN 413 HE21 -0.22 0.42 -0.16 -0.04 6.97 6.97 1ox5A1 GLN 413 HE22 -0.19 0.21 0.09 -0.04 7.69 7.76 1ox5A1 ALA 414 H -0.12 -0.02 -0.40 -0.55 8.40 7.32 1ox5A1 ALA 414 HA -0.09 0.16 0.35 -0.75 4.34 4.01 1ox5A1 ALA 414 HB3 -0.06 0.00 0.00 -0.04 1.41 1.32 1ox5A1 ASP 415 H -0.07 0.31 -0.45 -0.55 8.40 7.64 1ox5A1 ASP 415 HA -0.03 0.15 0.56 -0.75 4.63 4.56 1ox5A1 ASP 415 HB2 0.01 0.07 0.07 -0.04 2.71 2.82 1ox5A1 ASP 415 HB3 0.02 0.02 0.14 -0.04 2.70 2.84 1ox5A1 THR 416 H -0.13 0.48 -0.32 -0.55 8.28 7.76 1ox5A1 THR 416 HA -0.18 0.08 0.52 -0.75 4.39 4.06 1ox5A1 THR 416 HB -0.23 0.11 -0.20 -0.04 4.32 3.96 1ox5A1 THR 416 HG23 -0.44 0.05 -0.19 -0.04 1.22 0.59 1ox5A1 LYS 417 H -0.28 0.11 0.12 -0.55 8.42 7.81 1ox5A1 LYS 417 HA -0.17 0.17 0.52 -0.75 4.32 4.09 1ox5A1 LYS 417 HB2 -0.14 0.03 0.07 -0.04 1.87 1.79 1ox5A1 LYS 417 HB3 -0.13 0.03 0.08 -0.04 1.79 1.73 1ox5A1 LYS 417 HG2 -0.16 0.02 0.06 -0.04 1.46 1.34 1ox5A1 LYS 417 HG3 -0.30 -0.12 0.04 -0.04 1.46 1.04 1ox5A1 LYS 417 HD2 -0.15 -0.01 -0.08 -0.04 1.69 1.41 1ox5A1 LYS 417 HD3 -0.10 0.03 0.01 -0.04 1.68 1.58 1ox5A1 LYS 417 HE2 -0.09 -0.01 0.05 -0.04 2.99 2.89 1ox5A1 LYS 417 HE3 -0.19 -0.11 -0.04 -0.04 2.99 2.60 1ox5A1 ASN 418 H -0.57 -0.03 -0.17 -0.55 8.53 7.20 1ox5A1 ASN 418 HA -0.24 0.06 0.56 -0.75 4.76 4.39 1ox5A1 ASN 418 HB2 -1.43 0.02 -0.06 -0.04 2.88 1.37 1ox5A1 ASN 418 HB3 -0.29 -0.06 -0.01 -0.04 2.79 2.38 1ox5A1 ASN 418 HD21 -0.52 0.07 -0.21 -0.04 7.03 6.33 1ox5A1 ASN 418 HD22 -2.09 0.03 -0.10 -0.04 7.74 5.54 1ox5A1 LYS 419 H -0.10 0.02 0.15 -0.55 8.42 7.94 1ox5A1 LYS 419 HA -0.22 0.09 0.42 -0.75 4.32 3.86 1ox5A1 LYS 419 HB2 -0.46 0.07 0.13 -0.04 1.87 1.57 1ox5A1 LYS 419 HB3 -0.38 -0.19 0.15 -0.04 1.79 1.32 1ox5A1 LYS 419 HG2 -2.40 0.00 -0.03 -0.04 1.46 -1.01 1ox5A1 LYS 419 HG3 -0.53 0.07 -0.25 -0.04 1.46 0.71 1ox5A1 LYS 419 HD2 -0.35 -0.03 0.09 -0.04 1.69 1.36 1ox5A1 LYS 419 HD3 -0.53 -0.01 0.03 -0.04 1.68 1.14 1ox5A1 LYS 419 HE2 -0.98 0.01 -0.00 -0.04 2.99 1.97 1ox5A1 LYS 419 HE3 -0.41 0.12 0.03 -0.04 2.99 2.69 1ox5A1 VAL 420 H -0.14 0.15 0.20 -0.55 8.24 7.90 1ox5A1 VAL 420 HA 0.04 0.20 0.89 -0.75 4.13 4.51 1ox5A1 VAL 420 HB 0.01 -0.06 -0.03 -0.04 2.12 2.00 1ox5A1 VAL 420 HG13 0.01 0.05 -0.31 -0.04 0.97 0.67 1ox5A1 VAL 420 HG23 -0.13 -0.02 -0.18 -0.04 0.95 0.59 1ox5A1 PHE 421 H -0.30 0.52 0.35 -0.55 8.34 8.37 1ox5A1 PHE 421 HA 0.05 0.14 0.73 -0.75 4.62 4.79 1ox5A1 PHE 421 HB2 0.03 0.06 0.07 -0.04 3.15 3.27 1ox5A1 PHE 421 HB3 -0.04 0.03 -0.15 -0.04 3.06 2.87 1ox5A1 PHE 421 HD2 -0.55 0.13 -0.40 -0.04 7.28 6.42 1ox5A1 PHE 421 HE2 -0.07 -0.10 -0.18 -0.04 7.38 7.00 1ox5A1 PHE 421 HZ 0.23 -0.12 -0.24 -0.04 7.32 7.14 1ox5A1 GLU 422 H 0.28 0.16 0.15 -0.55 8.60 8.64 1ox5A1 GLU 422 HA -0.24 0.23 0.80 -0.75 4.29 4.33 1ox5A1 GLU 422 HB2 0.07 -0.07 0.10 -0.04 2.09 2.15 1ox5A1 GLU 422 HB3 0.06 -0.03 0.16 -0.04 1.99 2.14 1ox5A1 GLU 422 HG2 -0.12 0.06 -0.17 -0.04 2.34 2.07 1ox5A1 GLU 422 HG3 -0.46 0.14 0.09 -0.04 2.34 2.07 1ox5A1 THR 423 H -0.12 0.52 0.27 -0.55 8.28 8.40 1ox5A1 THR 423 HA 0.20 0.11 0.74 -0.75 4.39 4.69 1ox5A1 THR 423 HB 0.05 -0.03 -0.09 -0.04 4.32 4.21 1ox5A1 THR 423 HG23 0.05 0.04 -0.31 -0.04 1.22 0.96 1ox5A1 GLU 424 H -0.19 0.08 0.13 -0.55 8.60 8.07 1ox5A1 GLU 424 HA -0.20 0.16 0.54 -0.75 4.29 4.04 1ox5A1 GLU 424 HB2 -0.29 0.00 0.09 -0.04 2.09 1.85 1ox5A1 GLU 424 HB3 -1.09 -0.04 0.03 -0.04 1.99 0.85 1ox5A1 GLU 424 HG2 -0.28 0.02 0.11 -0.04 2.34 2.16 1ox5A1 GLU 424 HG3 -0.17 0.02 0.06 -0.04 2.34 2.21 1ox5A1 TYR 425 H -0.11 -0.06 -0.22 -0.55 8.29 7.36 1ox5A1 TYR 425 HA 0.02 0.27 0.88 -0.75 4.56 4.99 1ox5A1 TYR 425 HB2 0.12 -0.08 0.09 -0.04 3.06 3.14 1ox5A1 TYR 425 HB3 0.06 0.09 -0.01 -0.04 2.98 3.08 1ox5A1 TYR 425 HD2 0.06 0.03 -0.05 -0.04 7.15 7.15 1ox5A1 TYR 425 HE2 0.04 -0.02 -0.03 -0.04 6.85 6.80 1ox5A1 PRO 426 HA -0.03 0.30 0.33 -0.51 4.44 4.53 1ox5A1 PRO 426 HB2 -0.09 -0.02 -0.12 -0.04 2.28 2.02 1ox5A1 PRO 426 HB3 -0.05 0.06 -0.08 -0.04 2.02 1.91 1ox5A1 PRO 426 HG2 -0.02 -0.00 0.02 -0.04 2.03 1.99 1ox5A1 PRO 426 HG3 -0.02 0.03 0.02 -0.04 2.03 2.02 1ox5A1 PRO 426 HD2 0.07 0.08 0.25 -0.04 3.68 4.04 1ox5A1 PRO 426 HD3 -0.01 0.21 -0.04 -0.04 3.65 3.77 1ox5A1 GLY 427 H -0.37 0.44 0.14 -0.55 8.43 8.09 1ox5A1 GLY 427 HA2 -1.23 0.18 0.49 -0.51 4.01 2.94 1ox5A1 GLY 427 HA3 -1.23 -0.08 0.37 -0.51 4.01 2.56 1ox5A1 PRO 428 HA -0.12 0.14 0.38 -0.51 4.44 4.32 1ox5A1 PRO 428 HB2 -0.08 -0.01 0.04 -0.04 2.28 2.19 1ox5A1 PRO 428 HB3 -0.07 0.07 0.10 -0.04 2.02 2.07 1ox5A1 PRO 428 HG2 -0.07 0.04 0.10 -0.04 2.03 2.06 1ox5A1 PRO 428 HG3 -0.10 0.09 0.11 -0.04 2.03 2.08 1ox5A1 PRO 428 HD2 -0.29 0.04 0.19 -0.04 3.68 3.57 1ox5A1 PRO 428 HD3 -0.48 0.17 0.23 -0.04 3.65 3.52 1ox5A1 ASN 429 H -0.14 0.00 -0.29 -0.55 8.53 7.55 1ox5A1 ASN 429 HA -0.06 0.25 0.74 -0.75 4.76 4.94 1ox5A1 ASN 429 HB2 -0.05 -0.07 0.01 -0.04 2.88 2.73 1ox5A1 ASN 429 HB3 -0.03 0.05 0.14 -0.04 2.79 2.90 1ox5A1 ASN 429 HD21 -0.03 0.04 -0.05 -0.04 7.03 6.96 1ox5A1 ASN 429 HD22 -0.04 -0.04 -0.03 -0.04 7.74 7.59 1ox5A1 GLY 430 H -0.13 0.64 -0.43 -0.55 8.43 7.97 1ox5A1 GLY 430 HA2 -0.08 0.11 0.20 -0.51 4.01 3.73 1ox5A1 GLY 430 HA3 -0.05 0.12 0.47 -0.51 4.01 4.04 1ox5A1 GLU 431 H -0.13 -0.08 -0.28 -0.55 8.60 7.57 1ox5A1 GLU 431 HA 0.02 0.08 0.39 -0.75 4.29 4.02 1ox5A1 GLU 431 HB2 -0.05 -0.10 0.09 -0.04 2.09 1.98 1ox5A1 GLU 431 HB3 0.14 0.31 -0.08 -0.04 1.99 2.32 1ox5A1 GLU 431 HG2 0.07 -0.04 -0.35 -0.04 2.34 1.98 1ox5A1 GLU 431 HG3 0.01 0.09 -0.19 -0.04 2.34 2.21 1ox5A1 LYS 432 H 0.01 0.18 0.28 -0.55 8.42 8.33 1ox5A1 LYS 432 HA -0.10 0.18 0.73 -0.75 4.32 4.38 1ox5A1 LYS 432 HB2 -0.34 -0.01 0.13 -0.04 1.87 1.61 1ox5A1 LYS 432 HB3 -0.37 0.01 0.17 -0.04 1.79 1.56 1ox5A1 LYS 432 HG2 -0.10 0.03 -0.02 -0.04 1.46 1.33 1ox5A1 LYS 432 HG3 -0.07 0.15 0.07 -0.04 1.46 1.57 1ox5A1 LYS 432 HD2 -0.06 -0.03 0.06 -0.04 1.69 1.62 1ox5A1 LYS 432 HD3 -0.11 -0.01 0.04 -0.04 1.68 1.56 1ox5A1 LYS 432 HE2 -0.05 0.01 0.02 -0.04 2.99 2.93 1ox5A1 LYS 432 HE3 -0.03 0.05 0.04 -0.04 2.99 3.01 1ox5A1 TYR 433 H 0.12 0.20 0.01 -0.55 8.29 8.07 1ox5A1 TYR 433 HA -0.10 0.30 1.00 -0.75 4.56 5.01 1ox5A1 TYR 433 HB2 -0.01 0.04 -0.22 -0.04 3.06 2.84 1ox5A1 TYR 433 HB3 -0.06 -0.05 -0.11 -0.04 2.98 2.72 1ox5A1 TYR 433 HD2 -0.01 0.07 -0.32 -0.04 7.15 6.84 1ox5A1 TYR 433 HE2 -0.00 0.03 -0.02 -0.04 6.85 6.82 1ox5A1 CYS 434 H -0.24 0.45 0.32 -0.55 8.50 8.48 1ox5A1 CYS 434 HA -0.10 0.13 0.65 -0.75 4.58 4.50 1ox5A1 CYS 434 HB2 -0.72 0.01 -0.02 -0.04 2.97 2.20 1ox5A1 CYS 434 HB3 -0.67 0.08 -0.22 -0.04 2.97 2.12 1ox5A1 TRP 435 H -0.31 0.65 0.37 -0.55 7.97 8.14 1ox5A1 TRP 435 HA -0.08 0.16 0.77 -0.75 4.62 4.72 1ox5A1 TRP 435 HB2 0.05 -0.08 0.04 -0.04 3.23 3.19 1ox5A1 TRP 435 HB3 -0.07 0.13 -0.22 -0.04 3.23 3.04 1ox5A1 TRP 435 HD1 -0.10 -0.03 -0.17 -0.04 7.22 6.88 1ox5A1 TRP 435 HE1 -0.05 0.06 -0.17 -0.04 10.20 9.99 1ox5A1 TRP 435 HE3 0.07 -0.05 -0.26 -0.04 7.59 7.32 1ox5A1 TRP 435 HZ2 -0.02 0.05 -0.07 -0.04 7.44 7.36 1ox5A1 TRP 435 HZ3 0.04 0.06 -0.36 -0.04 7.13 6.83 1ox5A1 TRP 435 HH2 0.01 0.03 -0.06 -0.04 7.19 7.13 1ox5A1 TYR 436 H 0.52 0.11 0.18 -0.55 8.29 8.56 1ox5A1 TYR 436 HA -0.28 0.31 0.97 -0.75 4.56 4.81 1ox5A1 TYR 436 HB2 0.21 -0.09 0.14 -0.04 3.06 3.28 1ox5A1 TYR 436 HB3 0.04 0.01 -0.07 -0.04 2.98 2.92 1ox5A1 TYR 436 HD2 0.06 -0.04 -0.26 -0.04 7.15 6.87 1ox5A1 TYR 436 HE2 0.15 0.03 -0.15 -0.04 6.85 6.83 1ox5A1 GLN 437 H -0.46 0.70 0.33 -0.55 8.47 8.50 1ox5A1 GLN 437 HA 0.10 0.16 0.81 -0.75 4.36 4.68 1ox5A1 GLN 437 HB2 -1.05 -0.03 0.06 -0.04 2.15 1.08 1ox5A1 GLN 437 HB3 -0.37 0.02 0.14 -0.04 2.02 1.78 1ox5A1 GLN 437 HG2 -0.02 0.02 -0.09 -0.04 2.40 2.27 1ox5A1 GLN 437 HG3 0.14 0.18 0.23 -0.04 2.39 2.91 1ox5A1 GLN 437 HE21 0.15 -0.03 -0.12 -0.04 6.97 6.94 1ox5A1 GLN 437 HE22 0.24 0.22 -0.14 -0.04 7.69 7.97 1ox5A1 CYS 438 H 0.18 0.55 0.37 -0.55 8.50 9.05 1ox5A1 CYS 438 HA 0.07 0.05 0.57 -0.75 4.58 4.51 1ox5A1 CYS 438 HB2 0.12 -0.02 0.07 -0.04 2.97 3.10 1ox5A1 CYS 438 HB3 0.07 0.02 0.01 -0.04 2.97 3.02 1ox5A1 THR 439 H 0.02 0.26 0.29 -0.55 8.28 8.31 1ox5A1 THR 439 HA 0.02 0.24 1.02 -0.75 4.39 4.91 1ox5A1 THR 439 HB 0.00 -0.01 0.03 -0.04 4.32 4.30 1ox5A1 THR 439 HG23 -0.00 0.02 -0.18 -0.04 1.22 1.01 1ox5A1 ILE 440 H -0.00 0.75 0.33 -0.55 8.25 8.78 1ox5A1 ILE 440 HA -0.06 0.06 0.77 -0.75 4.18 4.21 1ox5A1 ILE 440 HB -0.16 -0.15 0.17 -0.04 1.89 1.71 1ox5A1 ILE 440 HG12 0.01 0.15 -0.12 -0.04 1.49 1.48 1ox5A1 ILE 440 HG13 0.00 -0.00 -0.20 -0.04 1.21 0.96 1ox5A1 ILE 440 HG23 -0.16 0.01 -0.18 -0.04 0.93 0.56 1ox5A1 ILE 440 HD13 0.04 0.01 -0.09 -0.04 0.88 0.79 1ox5A1 LYS 441 H -0.05 0.05 0.20 -0.55 8.42 8.06 1ox5A1 LYS 441 HA -0.01 0.03 0.40 -0.75 4.32 3.99 1ox5A1 LYS 441 HB2 0.01 0.10 0.04 -0.04 1.87 1.97 1ox5A1 LYS 441 HB3 0.01 0.11 0.16 -0.04 1.79 2.04 1ox5A1 LYS 441 HG2 0.02 0.03 0.05 -0.04 1.46 1.52 1ox5A1 LYS 441 HG3 -0.00 -0.13 -0.10 -0.04 1.46 1.19 1ox5A1 LYS 441 HD2 0.04 0.03 -0.09 -0.04 1.69 1.63 1ox5A1 LYS 441 HD3 0.04 0.07 -0.01 -0.04 1.68 1.74 1ox5A1 LYS 441 HE2 0.10 0.01 -0.01 -0.04 2.99 3.05 1ox5A1 LYS 441 HE3 0.13 -0.06 -0.04 -0.04 2.99 2.98 1ox5A1 GLY 442 H -0.01 0.01 -0.02 -0.55 8.43 7.86 1ox5A1 GLY 442 HA2 0.00 0.00 0.25 -0.51 4.01 3.76 1ox5A1 GLY 442 HA3 0.00 0.15 0.35 -0.51 4.01 4.01 1ox5A1 GLY 443 H -0.00 0.00 -0.62 -0.55 8.43 7.27 1ox5A1 GLY 443 HA2 -0.00 -0.04 0.18 -0.51 4.01 3.64 1ox5A1 GLY 443 HA3 -0.00 0.11 0.41 -0.51 4.01 4.03 1ox5A1 ARG 444 H 0.00 0.37 -0.25 -0.55 8.46 8.04 1ox5A1 ARG 444 HA 0.01 0.12 0.52 -0.75 4.34 4.23 1ox5A1 ARG 444 HB2 0.01 0.01 0.11 -0.04 1.90 2.00 1ox5A1 ARG 444 HB3 0.01 -0.04 0.11 -0.04 1.80 1.84 1ox5A1 ARG 444 HG2 0.01 -0.02 -0.01 -0.04 1.67 1.61 1ox5A1 ARG 444 HG3 0.01 0.13 0.02 -0.04 1.67 1.78 1ox5A1 ARG 444 HD2 0.01 -0.03 0.04 -0.04 3.22 3.20 1ox5A1 ARG 444 HD3 0.01 -0.03 0.03 -0.04 3.22 3.19 1ox5A1 GLU 445 H 0.01 0.21 -0.11 -0.55 8.60 8.16 1ox5A1 GLU 445 HA 0.02 0.16 0.82 -0.75 4.29 4.54 1ox5A1 GLU 445 HB2 0.03 0.02 -0.24 -0.04 2.09 1.87 1ox5A1 GLU 445 HB3 0.04 -0.14 -0.02 -0.04 1.99 1.82 1ox5A1 GLU 445 HG2 0.05 0.18 -0.07 -0.04 2.34 2.46 1ox5A1 GLU 445 HG3 0.04 0.05 0.05 -0.04 2.34 2.44 1ox5A1 SER 446 H 0.03 0.17 0.13 -0.55 8.46 8.25 1ox5A1 SER 446 HA 0.03 0.17 0.82 -0.75 4.49 4.76 1ox5A1 SER 446 HB2 0.04 -0.02 0.04 -0.04 3.95 3.96 1ox5A1 SER 446 HB3 0.04 0.05 0.04 -0.04 3.93 4.02 1ox5A1 ARG 447 H 0.08 0.60 0.35 -0.55 8.46 8.94 1ox5A1 ARG 447 HA 0.10 0.15 0.78 -0.75 4.34 4.61 1ox5A1 ARG 447 HB2 0.10 0.03 -0.04 -0.04 1.90 1.96 1ox5A1 ARG 447 HB3 0.12 -0.02 -0.06 -0.04 1.80 1.80 1ox5A1 ARG 447 HG2 0.09 0.14 -0.55 -0.04 1.67 1.31 1ox5A1 ARG 447 HG3 0.07 -0.07 -0.24 -0.04 1.67 1.39 1ox5A1 ARG 447 HD2 0.19 -0.04 -0.11 -0.04 3.22 3.22 1ox5A1 ARG 447 HD3 0.13 -0.00 0.01 -0.04 3.22 3.32 1ox5A1 ASP 448 H 0.11 0.19 0.06 -0.55 8.40 8.22 1ox5A1 ASP 448 HA 0.25 0.13 0.59 -0.75 4.63 4.84 1ox5A1 ASP 448 HB2 0.09 0.03 0.09 -0.04 2.71 2.88 1ox5A1 ASP 448 HB3 0.06 0.02 0.20 -0.04 2.70 2.94 1ox5A1 LEU 449 H 0.25 0.58 -0.26 -0.55 8.37 8.40 1ox5A1 LEU 449 HA 0.10 0.13 0.76 -0.75 4.35 4.59 1ox5A1 LEU 449 HB2 0.14 0.04 -0.20 -0.04 1.64 1.57 1ox5A1 LEU 449 HB3 0.16 -0.05 -0.03 -0.04 1.64 1.68 1ox5A1 LEU 449 HG 0.17 0.10 -0.12 -0.04 1.64 1.76 1ox5A1 LEU 449 HD13 0.15 0.00 -0.06 -0.04 0.93 0.98 1ox5A1 LEU 449 HD23 0.16 -0.01 -0.06 -0.04 0.89 0.94 1ox5A1 GLY 450 H 0.17 0.12 0.16 -0.55 8.43 8.33 1ox5A1 GLY 450 HA2 0.61 0.42 0.86 -0.51 4.01 5.40 1ox5A1 GLY 450 HA3 0.45 -0.01 0.39 -0.51 4.01 4.33 1ox5A1 VAL 451 H 0.42 0.44 0.31 -0.55 8.24 8.86 1ox5A1 VAL 451 HA 0.18 0.04 0.40 -0.75 4.13 4.00 1ox5A1 VAL 451 HB 0.35 -0.02 0.17 -0.04 2.12 2.58 1ox5A1 VAL 451 HG13 0.13 0.03 -0.18 -0.04 0.97 0.91 1ox5A1 VAL 451 HG23 0.12 0.01 -0.08 -0.04 0.95 0.96 1ox5A1 TRP 452 H 0.53 0.07 -0.08 -0.55 7.97 7.95 1ox5A1 TRP 452 HA -0.06 0.17 0.39 -0.75 4.62 4.37 1ox5A1 TRP 452 HB2 0.14 0.07 0.08 -0.04 3.23 3.47 1ox5A1 TRP 452 HB3 0.17 -0.14 0.13 -0.04 3.23 3.34 1ox5A1 TRP 452 HD1 0.04 -0.08 -0.20 -0.04 7.22 6.95 1ox5A1 TRP 452 HE1 0.04 0.04 -0.02 -0.04 10.20 10.22 1ox5A1 TRP 452 HE3 -0.59 -0.03 -0.02 -0.04 7.59 6.91 1ox5A1 TRP 452 HZ2 0.03 0.02 -0.01 -0.04 7.44 7.44 1ox5A1 TRP 452 HZ3 -0.08 0.06 -0.10 -0.04 7.13 6.97 1ox5A1 TRP 452 HH2 0.01 0.11 -0.13 -0.04 7.19 7.14 1ox5A1 GLU 453 H 0.35 -0.03 -0.24 -0.55 8.60 8.14 1ox5A1 GLU 453 HA 0.25 0.16 0.39 -0.75 4.29 4.33 1ox5A1 GLU 453 HB2 0.13 -0.06 0.14 -0.04 2.09 2.25 1ox5A1 GLU 453 HB3 -0.08 0.08 0.02 -0.04 1.99 1.97 1ox5A1 GLU 453 HG2 -0.18 0.08 0.06 -0.04 2.34 2.26 1ox5A1 GLU 453 HG3 0.07 0.12 0.04 -0.04 2.34 2.53 1ox5A1 LEU 454 H 0.17 0.46 -0.16 -0.55 8.37 8.30 1ox5A1 LEU 454 HA 0.14 0.02 0.37 -0.75 4.35 4.13 1ox5A1 LEU 454 HB2 0.13 0.00 -0.00 -0.04 1.64 1.72 1ox5A1 LEU 454 HB3 0.10 0.02 0.11 -0.04 1.64 1.83 1ox5A1 LEU 454 HG 0.02 0.03 -0.39 -0.04 1.64 1.25 1ox5A1 LEU 454 HD13 0.05 -0.03 -0.17 -0.04 0.93 0.73 1ox5A1 LEU 454 HD23 0.04 -0.00 -0.11 -0.04 0.89 0.78 1ox5A1 THR 455 H 0.00 0.61 -0.06 -0.55 8.28 8.28 1ox5A1 THR 455 HA -0.06 -0.02 0.33 -0.75 4.39 3.88 1ox5A1 THR 455 HB -0.13 0.03 -0.05 -0.04 4.32 4.13 1ox5A1 THR 455 HG23 -0.04 -0.00 0.01 -0.04 1.22 1.14 1ox5A1 ARG 456 H -0.16 0.41 -0.22 -0.55 8.46 7.93 1ox5A1 ARG 456 HA -0.20 0.08 0.33 -0.75 4.34 3.80 1ox5A1 ARG 456 HB2 -0.09 0.02 0.14 -0.04 1.90 1.93 1ox5A1 ARG 456 HB3 -0.11 -0.01 0.02 -0.04 1.80 1.67 1ox5A1 ARG 456 HG2 -0.42 0.23 0.06 -0.04 1.67 1.51 1ox5A1 ARG 456 HG3 -0.59 -0.10 0.02 -0.04 1.67 0.95 1ox5A1 ARG 456 HD2 -1.95 -0.04 0.06 -0.04 3.22 1.24 1ox5A1 ARG 456 HD3 -0.75 -0.07 -0.05 -0.04 3.22 2.31 1ox5A1 ALA 457 H -0.05 0.42 -0.26 -0.55 8.40 7.96 1ox5A1 ALA 457 HA -0.83 0.07 0.39 -0.75 4.34 3.22 1ox5A1 ALA 457 HB3 -0.26 0.02 0.15 -0.04 1.41 1.27 1ox5A1 CYS 458 H -0.14 0.65 -0.02 -0.55 8.50 8.44 1ox5A1 CYS 458 HA -0.14 -0.08 0.34 -0.75 4.58 3.95 1ox5A1 CYS 458 HB2 -0.08 0.16 0.08 -0.04 2.97 3.09 1ox5A1 CYS 458 HB3 -0.06 -0.08 -0.02 -0.04 2.97 2.77 1ox5A1 GLU 459 H -0.15 0.52 -0.35 -0.55 8.60 8.07 1ox5A1 GLU 459 HA -0.09 0.12 0.40 -0.75 4.29 3.97 1ox5A1 GLU 459 HB2 -0.13 0.10 0.07 -0.04 2.09 2.09 1ox5A1 GLU 459 HB3 -0.14 0.14 0.07 -0.04 1.99 2.02 1ox5A1 GLU 459 HG2 -0.09 0.05 0.00 -0.04 2.34 2.27 1ox5A1 GLU 459 HG3 -0.09 -0.01 -0.02 -0.04 2.34 2.18 1ox5A1 ALA 460 H -0.23 0.36 -0.28 -0.55 8.40 7.70 1ox5A1 ALA 460 HA -0.08 0.08 0.47 -0.75 4.34 4.05 1ox5A1 ALA 460 HB3 -0.25 0.04 0.11 -0.04 1.41 1.26 1ox5A1 LEU 461 H -0.21 0.32 -0.18 -0.55 8.37 7.75 1ox5A1 LEU 461 HA -0.04 0.03 0.41 -0.75 4.35 4.00 1ox5A1 LEU 461 HB2 -0.10 0.05 0.03 -0.04 1.64 1.57 1ox5A1 LEU 461 HB3 -0.04 -0.22 -0.02 -0.04 1.64 1.33 1ox5A1 LEU 461 HG -0.35 0.31 -0.07 -0.04 1.64 1.49 1ox5A1 LEU 461 HD13 -0.06 -0.04 -0.17 -0.04 0.93 0.62 1ox5A1 LEU 461 HD23 0.08 -0.01 -0.07 -0.04 0.89 0.84 1ox5A1 GLY 462 H -0.06 0.26 -0.65 -0.55 8.43 7.42 1ox5A1 GLY 462 HA2 -0.01 0.08 0.18 -0.51 4.01 3.74 1ox5A1 GLY 462 HA3 -0.00 0.13 0.86 -0.51 4.01 4.49 1ox5A1 ALA 463 H -0.05 0.52 0.13 -0.55 8.40 8.45 1ox5A1 ALA 463 HA -0.01 -0.01 0.43 -0.75 4.34 3.99 1ox5A1 ALA 463 HB3 -0.04 -0.05 -0.15 -0.04 1.41 1.13 1ox5A1 GLY 464 H -0.00 0.46 0.37 -0.55 8.43 8.71 1ox5A1 GLY 464 HA2 -0.03 0.19 0.83 -0.51 4.01 4.49 1ox5A1 GLY 464 HA3 -0.01 0.01 0.07 -0.51 4.01 3.57 1ox5A1 GLU 465 H -0.02 0.20 0.18 -0.55 8.60 8.42 1ox5A1 GLU 465 HA -0.02 0.32 0.54 -0.75 4.29 4.37 1ox5A1 GLU 465 HB2 0.00 0.14 -0.35 -0.04 2.09 1.85 1ox5A1 GLU 465 HB3 0.01 -0.13 -0.15 -0.04 1.99 1.69 1ox5A1 GLU 465 HG2 0.01 -0.13 -0.31 -0.04 2.34 1.86 1ox5A1 GLU 465 HG3 0.01 0.13 -0.12 -0.04 2.34 2.31 1ox5A1 ILE 466 H -0.02 0.79 0.24 -0.55 8.25 8.71 1ox5A1 ILE 466 HA -0.03 0.08 1.05 -0.75 4.18 4.53 1ox5A1 ILE 466 HB -0.05 0.03 0.13 -0.04 1.89 1.96 1ox5A1 ILE 466 HG12 -0.06 0.07 -0.32 -0.04 1.49 1.15 1ox5A1 ILE 466 HG13 -0.07 0.02 -0.13 -0.04 1.21 0.98 1ox5A1 ILE 466 HG23 -0.04 -0.03 -0.23 -0.04 0.93 0.59 1ox5A1 ILE 466 HD13 -0.05 0.00 -0.09 -0.04 0.88 0.70 1ox5A1 LEU 467 H -0.01 0.74 0.21 -0.55 8.37 8.76 1ox5A1 LEU 467 HA -0.01 0.13 0.72 -0.75 4.35 4.43 1ox5A1 LEU 467 HB2 0.01 0.04 -0.15 -0.04 1.64 1.49 1ox5A1 LEU 467 HB3 -0.00 -0.06 0.06 -0.04 1.64 1.60 1ox5A1 LEU 467 HG 0.00 -0.08 -0.20 -0.04 1.64 1.32 1ox5A1 LEU 467 HD13 0.01 0.03 -0.26 -0.04 0.93 0.66 1ox5A1 LEU 467 HD23 0.01 -0.01 -0.21 -0.04 0.89 0.64 1ox5A1 LEU 468 H -0.04 0.57 0.10 -0.55 8.37 8.46 1ox5A1 LEU 468 HA -0.02 0.03 0.65 -0.75 4.35 4.25 1ox5A1 LEU 468 HB2 -0.06 -0.03 -0.00 -0.04 1.64 1.51 1ox5A1 LEU 468 HB3 -0.08 0.09 0.23 -0.04 1.64 1.84 1ox5A1 LEU 468 HG -0.07 0.04 -0.11 -0.04 1.64 1.45 1ox5A1 LEU 468 HD13 -0.04 -0.01 -0.05 -0.04 0.93 0.78 1ox5A1 LEU 468 HD23 -0.09 -0.01 -0.17 -0.04 0.89 0.58 1ox5A1 ASN 469 H -0.01 0.49 0.32 -0.55 8.53 8.79 1ox5A1 ASN 469 HA 0.01 0.04 0.41 -0.75 4.76 4.46 1ox5A1 ASN 469 HB2 0.01 0.17 0.14 -0.04 2.88 3.16 1ox5A1 ASN 469 HB3 0.01 -0.16 0.02 -0.04 2.79 2.61 1ox5A1 ASN 469 HD21 0.01 -0.07 -0.15 -0.04 7.03 6.77 1ox5A1 ASN 469 HD22 0.00 0.14 -0.15 -0.04 7.74 7.69 1ox5A1 CYS 470 H 0.01 0.12 0.01 -0.55 8.50 8.09 1ox5A1 CYS 470 HA 0.05 0.19 0.56 -0.75 4.58 4.63 1ox5A1 CYS 470 HB2 0.02 0.18 -0.06 -0.04 2.97 3.07 1ox5A1 CYS 470 HB3 0.02 -0.04 0.16 -0.04 2.97 3.07 1ox5A1 ILE 471 H 0.03 0.66 0.17 -0.55 8.25 8.56 1ox5A1 ILE 471 HA 0.00 0.01 0.41 -0.75 4.18 3.84 1ox5A1 ILE 471 HB -0.01 0.05 0.10 -0.04 1.89 2.00 1ox5A1 ILE 471 HG12 0.00 -0.06 -0.04 -0.04 1.49 1.35 1ox5A1 ILE 471 HG13 0.01 0.01 -0.11 -0.04 1.21 1.08 1ox5A1 ILE 471 HG23 -0.01 0.02 -0.08 -0.04 0.93 0.82 1ox5A1 ILE 471 HD13 -0.01 0.02 -0.14 -0.04 0.88 0.71 1ox5A1 ASP 472 H 0.01 0.06 -0.18 -0.55 8.40 7.74 1ox5A1 ASP 472 HA -0.02 0.18 0.46 -0.75 4.63 4.50 1ox5A1 ASP 472 HB2 0.00 -0.07 0.01 -0.04 2.71 2.61 1ox5A1 ASP 472 HB3 -0.02 0.08 0.03 -0.04 2.70 2.75 1ox5A1 LYS 473 H -0.01 0.21 -0.29 -0.55 8.42 7.78 1ox5A1 LYS 473 HA -0.06 0.24 0.76 -0.75 4.32 4.51 1ox5A1 LYS 473 HB2 -0.03 0.02 -0.09 -0.04 1.87 1.73 1ox5A1 LYS 473 HB3 -0.10 0.08 -0.08 -0.04 1.79 1.66 1ox5A1 LYS 473 HG2 -0.00 -0.16 -0.15 -0.04 1.46 1.11 1ox5A1 LYS 473 HG3 -0.02 -0.07 -0.05 -0.04 1.46 1.28 1ox5A1 LYS 473 HD2 -0.07 0.10 -0.20 -0.04 1.69 1.49 1ox5A1 LYS 473 HD3 -0.04 -0.05 -0.17 -0.04 1.68 1.37 1ox5A1 LYS 473 HE2 -0.09 -0.12 -0.51 -0.04 2.99 2.23 1ox5A1 LYS 473 HE3 -0.15 0.18 -0.14 -0.04 2.99 2.84 1ox5A1 ASP 474 H -0.02 0.29 -0.11 -0.55 8.40 8.01 1ox5A1 ASP 474 HA -0.03 -0.27 0.40 -0.75 4.63 3.98 1ox5A1 ASP 474 HB2 -0.01 0.01 0.11 -0.04 2.71 2.78 1ox5A1 ASP 474 HB3 -0.01 0.19 0.12 -0.04 2.70 2.96 1ox5A1 GLY 475 H -0.04 -0.13 0.28 -0.55 8.43 7.99 1ox5A1 GLY 475 HA2 -0.04 -0.11 0.41 -0.51 4.01 3.76 1ox5A1 GLY 475 HA3 -0.02 0.13 0.37 -0.51 4.01 3.97 1ox5A1 SER 476 H -0.08 0.43 -0.26 -0.55 8.46 8.01 1ox5A1 SER 476 HA -0.05 0.20 0.60 -0.75 4.49 4.49 1ox5A1 SER 476 HB2 -0.06 0.02 0.10 -0.04 3.95 3.96 1ox5A1 SER 476 HB3 -0.06 0.12 -0.09 -0.04 3.93 3.86 1ox5A1 ASN 477 H -0.10 -0.10 -0.22 -0.55 8.53 7.56 1ox5A1 ASN 477 HA -0.10 -0.01 -0.15 -0.75 4.76 3.75 1ox5A1 ASN 477 HB2 -0.02 0.21 -0.08 -0.04 2.88 2.94 1ox5A1 ASN 477 HB3 0.01 -0.06 0.15 -0.04 2.79 2.84 1ox5A1 ASN 477 HD21 -0.02 -0.01 -0.09 -0.04 7.03 6.87 1ox5A1 ASN 477 HD22 -0.02 0.09 -0.19 -0.04 7.74 7.59 1ox5A1 SER 478 H -0.17 -0.03 -0.50 -0.55 8.46 7.21 1ox5A1 SER 478 HA -0.06 0.19 0.86 -0.75 4.49 4.73 1ox5A1 SER 478 HB2 -0.08 -0.02 0.12 -0.04 3.95 3.93 1ox5A1 SER 478 HB3 -0.08 0.13 -0.03 -0.04 3.93 3.91 1ox5A1 GLY 479 H -0.67 0.61 -0.05 -0.55 8.43 7.77 1ox5A1 GLY 479 HA2 -1.39 -0.15 0.19 -0.51 4.01 2.15 1ox5A1 GLY 479 HA3 -0.65 0.25 0.79 -0.51 4.01 3.89 1ox5A1 TYR 480 H -0.30 0.11 0.05 -0.55 8.29 7.60 1ox5A1 TYR 480 HA -0.18 0.33 0.60 -0.75 4.56 4.56 1ox5A1 TYR 480 HB2 -0.18 0.00 -0.05 -0.04 3.06 2.79 1ox5A1 TYR 480 HB3 -0.16 0.02 -0.11 -0.04 2.98 2.70 1ox5A1 TYR 480 HD2 -0.24 0.21 -0.22 -0.04 7.15 6.85 1ox5A1 TYR 480 HE2 -0.49 -0.06 -0.28 -0.04 6.85 5.99 1ox5A1 ASP 481 H 0.06 0.26 0.08 -0.55 8.40 8.25 1ox5A1 ASP 481 HA 0.02 0.14 0.52 -0.75 4.63 4.56 1ox5A1 ASP 481 HB2 0.04 0.06 0.09 -0.04 2.71 2.86 1ox5A1 ASP 481 HB3 0.01 0.03 0.20 -0.04 2.70 2.90 1ox5A1 LEU 482 H 0.03 0.41 0.10 -0.55 8.37 8.37 1ox5A1 LEU 482 HA -0.01 0.06 0.29 -0.75 4.35 3.93 1ox5A1 LEU 482 HB2 0.07 -0.02 0.05 -0.04 1.64 1.70 1ox5A1 LEU 482 HB3 0.02 0.11 -0.03 -0.04 1.64 1.71 1ox5A1 LEU 482 HG 0.03 0.13 0.09 -0.04 1.64 1.85 1ox5A1 LEU 482 HD13 0.04 0.02 -0.03 -0.04 0.93 0.93 1ox5A1 LEU 482 HD23 0.02 -0.03 -0.15 -0.04 0.89 0.68 1ox5A1 GLU 483 H 0.10 0.11 -0.12 -0.55 8.60 8.14 1ox5A1 GLU 483 HA -0.05 0.17 0.42 -0.75 4.29 4.08 1ox5A1 GLU 483 HB2 0.24 -0.05 0.01 -0.04 2.09 2.25 1ox5A1 GLU 483 HB3 0.05 0.07 -0.04 -0.04 1.99 2.03 1ox5A1 GLU 483 HG2 0.07 0.11 0.02 -0.04 2.34 2.49 1ox5A1 GLU 483 HG3 0.24 -0.02 0.04 -0.04 2.34 2.55 1ox5A1 LEU 484 H -0.01 0.11 -0.32 -0.55 8.37 7.60 1ox5A1 LEU 484 HA -0.28 0.03 0.34 -0.75 4.35 3.68 1ox5A1 LEU 484 HB2 -0.49 -0.08 0.03 -0.04 1.64 1.06 1ox5A1 LEU 484 HB3 -0.14 0.22 0.11 -0.04 1.64 1.79 1ox5A1 LEU 484 HG -0.19 0.06 -0.23 -0.04 1.64 1.24 1ox5A1 LEU 484 HD13 -0.78 -0.03 -0.04 -0.04 0.93 0.04 1ox5A1 LEU 484 HD23 -0.11 0.02 -0.03 -0.04 0.89 0.73 1ox5A1 ILE 485 H -0.08 0.37 -0.18 -0.55 8.25 7.80 1ox5A1 ILE 485 HA -0.09 0.03 0.32 -0.75 4.18 3.68 1ox5A1 ILE 485 HB -0.08 0.19 0.15 -0.04 1.89 2.12 1ox5A1 ILE 485 HG12 -0.15 -0.01 0.01 -0.04 1.49 1.30 1ox5A1 ILE 485 HG13 -0.10 0.12 0.04 -0.04 1.21 1.23 1ox5A1 ILE 485 HG23 -0.09 -0.00 -0.12 -0.04 0.93 0.68 1ox5A1 ILE 485 HD13 -0.21 -0.02 -0.08 -0.04 0.88 0.53 1ox5A1 GLU 486 H -0.07 0.45 -0.12 -0.55 8.60 8.31 1ox5A1 GLU 486 HA -0.03 0.04 0.40 -0.75 4.29 3.94 1ox5A1 GLU 486 HB2 -0.09 0.03 0.15 -0.04 2.09 2.14 1ox5A1 GLU 486 HB3 -0.05 0.02 0.02 -0.04 1.99 1.94 1ox5A1 GLU 486 HG2 -0.03 0.01 0.11 -0.04 2.34 2.39 1ox5A1 GLU 486 HG3 -0.02 0.05 0.06 -0.04 2.34 2.39 1ox5A1 HIS 487 H -0.07 0.40 -0.34 -0.55 8.41 7.84 1ox5A1 HIS 487 HA -0.07 0.06 0.40 -0.75 4.63 4.27 1ox5A1 HIS 487 HB2 -0.73 0.05 0.06 -0.04 3.26 2.60 1ox5A1 HIS 487 HB3 -0.17 0.10 0.17 -0.04 3.20 3.25 1ox5A1 HIS 487 HD2 0.22 -0.08 -0.08 -0.04 6.97 7.00 1ox5A1 HIS 487 HE1 0.12 0.05 -0.16 -0.04 7.75 7.73 1ox5A1 VAL 488 H -0.04 0.52 -0.11 -0.55 8.24 8.05 1ox5A1 VAL 488 HA -0.19 -0.00 0.49 -0.75 4.13 3.67 1ox5A1 VAL 488 HB -0.08 0.13 0.08 -0.04 2.12 2.20 1ox5A1 VAL 488 HG13 -0.10 -0.01 -0.08 -0.04 0.97 0.74 1ox5A1 VAL 488 HG23 -0.05 0.04 -0.03 -0.04 0.95 0.87 1ox5A1 LYS 489 H -0.06 0.46 -0.13 -0.55 8.42 8.14 1ox5A1 LYS 489 HA -0.07 0.10 0.39 -0.75 4.32 3.99 1ox5A1 LYS 489 HB2 -0.03 -0.00 0.11 -0.04 1.87 1.91 1ox5A1 LYS 489 HB3 -0.01 0.05 0.01 -0.04 1.79 1.80 1ox5A1 LYS 489 HG2 -0.04 0.02 -0.04 -0.04 1.46 1.35 1ox5A1 LYS 489 HG3 -0.02 -0.16 -0.18 -0.04 1.46 1.06 1ox5A1 LYS 489 HD2 -0.04 0.03 -0.03 -0.04 1.69 1.61 1ox5A1 LYS 489 HD3 -0.01 -0.11 -0.05 -0.04 1.68 1.47 1ox5A1 LYS 489 HE2 0.04 0.13 0.00 -0.04 2.99 3.12 1ox5A1 LYS 489 HE3 0.00 0.02 0.02 -0.04 2.99 2.99 1ox5A1 ASP 490 H -0.01 0.17 -0.54 -0.55 8.40 7.47 1ox5A1 ASP 490 HA 0.03 0.10 0.53 -0.75 4.63 4.54 1ox5A1 ASP 490 HB2 0.27 0.10 0.12 -0.04 2.71 3.16 1ox5A1 ASP 490 HB3 0.35 -0.07 0.01 -0.04 2.70 2.94 1ox5A1 ALA 491 H -0.25 0.12 -0.37 -0.55 8.40 7.35 1ox5A1 ALA 491 HA -1.14 0.08 0.61 -0.75 4.34 3.13 1ox5A1 ALA 491 HB3 -1.01 -0.02 0.14 -0.04 1.41 0.48 1ox5A1 VAL 492 H -0.24 0.45 0.04 -0.55 8.24 7.94 1ox5A1 VAL 492 HA -0.20 0.22 0.96 -0.75 4.13 4.35 1ox5A1 VAL 492 HB -0.14 -0.12 0.03 -0.04 2.12 1.85 1ox5A1 VAL 492 HG13 -0.22 -0.02 -0.35 -0.04 0.97 0.34 1ox5A1 VAL 492 HG23 -0.14 0.07 -0.11 -0.04 0.95 0.73 1ox5A1 LYS 493 H -0.11 0.10 0.08 -0.55 8.42 7.93 1ox5A1 LYS 493 HA -0.09 0.27 0.79 -0.75 4.32 4.54 1ox5A1 LYS 493 HB2 -0.09 -0.06 0.08 -0.04 1.87 1.77 1ox5A1 LYS 493 HB3 -0.09 0.06 0.22 -0.04 1.79 1.94 1ox5A1 LYS 493 HG2 -0.07 0.13 -0.10 -0.04 1.46 1.37 1ox5A1 LYS 493 HG3 -0.08 -0.07 -0.24 -0.04 1.46 1.03 1ox5A1 LYS 493 HD2 -0.06 -0.09 -0.04 -0.04 1.69 1.46 1ox5A1 LYS 493 HD3 -0.07 0.13 -0.06 -0.04 1.68 1.65 1ox5A1 LYS 493 HE2 -0.04 -0.02 -0.07 -0.04 2.99 2.81 1ox5A1 LYS 493 HE3 -0.04 -0.10 -0.06 -0.04 2.99 2.74 1ox5A1 ILE 494 H -0.09 -0.00 -0.16 -0.55 8.25 7.45 1ox5A1 ILE 494 HA -0.07 0.32 0.81 -0.75 4.18 4.49 1ox5A1 ILE 494 HB -0.05 0.20 -0.31 -0.04 1.89 1.69 1ox5A1 ILE 494 HG12 -0.09 -0.15 -0.08 -0.04 1.49 1.13 1ox5A1 ILE 494 HG13 -0.07 -0.03 -0.32 -0.04 1.21 0.75 1ox5A1 ILE 494 HG23 -0.07 0.11 0.01 -0.04 0.93 0.93 1ox5A1 ILE 494 HD13 -0.07 -0.01 -0.35 -0.04 0.88 0.42 1ox5A1 PRO 495 HA -0.01 0.06 0.39 -0.51 4.44 4.37 1ox5A1 PRO 495 HB2 0.00 -0.11 -0.01 -0.04 2.28 2.12 1ox5A1 PRO 495 HB3 0.02 0.07 0.07 -0.04 2.02 2.13 1ox5A1 PRO 495 HG2 -0.04 0.05 0.02 -0.04 2.03 2.02 1ox5A1 PRO 495 HG3 -0.03 0.09 0.02 -0.04 2.03 2.06 1ox5A1 PRO 495 HD2 -0.04 0.45 0.25 -0.04 3.68 4.30 1ox5A1 PRO 495 HD3 -0.06 0.16 -0.02 -0.04 3.65 3.70 1ox5A1 VAL 496 H -0.00 0.21 0.22 -0.55 8.24 8.12 1ox5A1 VAL 496 HA -0.03 0.13 1.01 -0.75 4.13 4.49 1ox5A1 VAL 496 HB -0.04 -0.02 0.10 -0.04 2.12 2.12 1ox5A1 VAL 496 HG13 -0.07 -0.03 -0.15 -0.04 0.97 0.68 1ox5A1 VAL 496 HG23 -0.06 0.06 -0.19 -0.04 0.95 0.71 1ox5A1 ILE 497 H -0.03 0.85 0.34 -0.55 8.25 8.86 1ox5A1 ILE 497 HA -0.03 0.15 0.72 -0.75 4.18 4.28 1ox5A1 ILE 497 HB -0.01 -0.16 0.07 -0.04 1.89 1.75 1ox5A1 ILE 497 HG12 0.05 0.08 -0.29 -0.04 1.49 1.29 1ox5A1 ILE 497 HG13 0.01 0.05 -0.25 -0.04 1.21 0.99 1ox5A1 ILE 497 HG23 0.00 -0.00 -0.45 -0.04 0.93 0.44 1ox5A1 ILE 497 HD13 0.04 -0.02 -0.28 -0.04 0.88 0.58 1ox5A1 ALA 498 H -0.21 0.77 0.30 -0.55 8.40 8.72 1ox5A1 ALA 498 HA -0.28 0.08 0.63 -0.75 4.34 4.02 1ox5A1 ALA 498 HB3 -0.76 -0.01 0.16 -0.04 1.41 0.76 1ox5A1 SER 499 H -0.12 0.58 0.32 -0.55 8.46 8.69 1ox5A1 SER 499 HA 0.11 0.13 0.76 -0.75 4.49 4.72 1ox5A1 SER 499 HB2 -0.01 0.03 -0.38 -0.04 3.95 3.55 1ox5A1 SER 499 HB3 -0.01 0.12 -0.48 -0.04 3.93 3.52 1ox5A1 SER 500 H 0.09 0.08 0.04 -0.55 8.46 8.12 1ox5A1 SER 500 HA -0.01 -0.14 0.39 -0.75 4.49 3.98 1ox5A1 SER 500 HB2 0.02 0.23 0.37 -0.04 3.95 4.52 1ox5A1 SER 500 HB3 -0.01 0.06 -0.05 -0.04 3.93 3.89 1ox5A1 GLY 501 H -0.13 -0.06 0.11 -0.55 8.43 7.80 1ox5A1 GLY 501 HA2 -0.21 0.05 0.36 -0.51 4.01 3.70 1ox5A1 GLY 501 HA3 -0.31 0.58 0.68 -0.51 4.01 4.46 1ox5A1 ALA 502 H -0.45 0.04 -0.19 -0.55 8.40 7.25 1ox5A1 ALA 502 HA -0.66 0.02 0.31 -0.75 4.34 3.26 1ox5A1 ALA 502 HB3 -0.49 0.02 -0.01 -0.04 1.41 0.89 1ox5A1 GLY 503 H 0.45 -0.00 0.20 -0.55 8.43 8.53 1ox5A1 GLY 503 HA2 -0.04 0.11 0.89 -0.51 4.01 4.46 1ox5A1 GLY 503 HA3 0.05 0.23 0.34 -0.51 4.01 4.13 1ox5A1 VAL 504 H -0.21 -0.02 0.20 -0.55 8.24 7.67 1ox5A1 VAL 504 HA -0.84 0.31 0.77 -0.75 4.13 3.62 1ox5A1 VAL 504 HB -0.50 0.04 0.08 -0.04 2.12 1.69 1ox5A1 VAL 504 HG13 -0.11 0.04 -0.17 -0.04 0.97 0.69 1ox5A1 VAL 504 HG23 -0.86 -0.05 -0.02 -0.04 0.95 -0.02 1ox5A1 PRO 505 HA -0.18 0.04 0.37 -0.51 4.44 4.16 1ox5A1 PRO 505 HB2 -0.90 0.06 0.04 -0.04 2.28 1.44 1ox5A1 PRO 505 HB3 -0.26 0.13 0.13 -0.04 2.02 1.98 1ox5A1 PRO 505 HG2 -0.33 0.14 -0.02 -0.04 2.03 1.78 1ox5A1 PRO 505 HG3 -0.44 0.00 -0.08 -0.04 2.03 1.47 1ox5A1 PRO 505 HD2 -0.83 0.16 0.17 -0.04 3.68 3.14 1ox5A1 PRO 505 HD3 -1.89 0.18 0.13 -0.04 3.65 2.04 1ox5A1 GLU 506 H -0.58 0.13 -0.35 -0.55 8.60 7.26 1ox5A1 GLU 506 HA -0.26 0.14 0.33 -0.75 4.29 3.75 1ox5A1 GLU 506 HB2 -0.37 -0.03 -0.00 -0.04 2.09 1.64 1ox5A1 GLU 506 HB3 -0.14 0.06 -0.01 -0.04 1.99 1.85 1ox5A1 GLU 506 HG2 -0.13 0.07 -0.01 -0.04 2.34 2.23 1ox5A1 GLU 506 HG3 -0.36 0.06 -0.01 -0.04 2.34 1.99 1ox5A1 HIS 507 H -0.27 0.42 -0.24 -0.55 8.41 7.78 1ox5A1 HIS 507 HA -0.11 0.09 0.42 -0.75 4.63 4.28 1ox5A1 HIS 507 HB2 -0.32 0.12 0.12 -0.04 3.26 3.15 1ox5A1 HIS 507 HB3 -0.51 -0.07 -0.02 -0.04 3.20 2.57 1ox5A1 HIS 507 HD2 -0.13 0.07 -0.09 -0.04 6.97 6.77 1ox5A1 HIS 507 HE1 -0.16 0.47 -0.09 -0.04 7.75 7.93 1ox5A1 PHE 508 H 0.36 0.28 -0.20 -0.55 8.34 8.23 1ox5A1 PHE 508 HA 0.02 0.02 0.38 -0.75 4.62 4.28 1ox5A1 PHE 508 HB2 0.10 0.20 0.11 -0.04 3.15 3.52 1ox5A1 PHE 508 HB3 0.23 0.07 -0.06 -0.04 3.06 3.26 1ox5A1 PHE 508 HD2 0.04 0.07 -0.07 -0.04 7.28 7.28 1ox5A1 PHE 508 HE2 0.01 -0.00 -0.32 -0.04 7.38 7.02 1ox5A1 PHE 508 HZ -0.09 -0.07 -0.26 -0.04 7.32 6.85 1ox5A1 GLU 509 H 0.24 0.32 -0.17 -0.55 8.60 8.44 1ox5A1 GLU 509 HA 0.31 0.09 0.30 -0.75 4.29 4.24 1ox5A1 GLU 509 HB2 0.30 0.01 0.03 -0.04 2.09 2.39 1ox5A1 GLU 509 HB3 0.18 0.07 0.11 -0.04 1.99 2.31 1ox5A1 GLU 509 HG2 0.12 -0.02 -0.23 -0.04 2.34 2.17 1ox5A1 GLU 509 HG3 0.11 0.06 -0.01 -0.04 2.34 2.47 1ox5A1 GLU 510 H 0.10 0.47 -0.20 -0.55 8.60 8.42 1ox5A1 GLU 510 HA 0.07 0.05 0.39 -0.75 4.29 4.05 1ox5A1 GLU 510 HB2 0.07 0.07 0.12 -0.04 2.09 2.31 1ox5A1 GLU 510 HB3 0.06 0.03 0.18 -0.04 1.99 2.22 1ox5A1 GLU 510 HG2 0.04 -0.03 -0.15 -0.04 2.34 2.15 1ox5A1 GLU 510 HG3 0.05 0.02 0.04 -0.04 2.34 2.41 1ox5A1 ALA 511 H -0.00 0.49 -0.15 -0.55 8.40 8.19 1ox5A1 ALA 511 HA -0.07 -0.06 0.37 -0.75 4.34 3.83 1ox5A1 ALA 511 HB3 -0.34 -0.00 0.07 -0.04 1.41 1.10 1ox5A1 PHE 512 H -0.02 0.48 -0.18 -0.55 8.34 8.06 1ox5A1 PHE 512 HA 0.01 0.12 0.42 -0.75 4.62 4.42 1ox5A1 PHE 512 HB2 0.07 0.03 0.07 -0.04 3.15 3.28 1ox5A1 PHE 512 HB3 0.04 0.01 0.02 -0.04 3.06 3.08 1ox5A1 PHE 512 HD2 0.08 0.08 -0.16 -0.04 7.28 7.24 1ox5A1 PHE 512 HE2 0.14 -0.03 -0.25 -0.04 7.38 7.20 1ox5A1 PHE 512 HZ 0.13 0.04 -0.21 -0.04 7.32 7.24 1ox5A1 LEU 513 H 0.13 0.28 -0.21 -0.55 8.37 8.02 1ox5A1 LEU 513 HA 0.08 0.20 0.93 -0.75 4.35 4.81 1ox5A1 LEU 513 HB2 0.08 -0.01 0.11 -0.04 1.64 1.78 1ox5A1 LEU 513 HB3 0.06 -0.06 0.02 -0.04 1.64 1.63 1ox5A1 LEU 513 HG 0.13 0.04 -0.03 -0.04 1.64 1.74 1ox5A1 LEU 513 HD13 0.08 -0.02 -0.03 -0.04 0.93 0.92 1ox5A1 LEU 513 HD23 0.06 0.03 -0.05 -0.04 0.89 0.89 1ox5A1 LYS 514 H 0.05 0.60 0.16 -0.55 8.42 8.68 1ox5A1 LYS 514 HA 0.03 0.14 0.74 -0.75 4.32 4.48 1ox5A1 LYS 514 HB2 0.03 0.11 0.11 -0.04 1.87 2.07 1ox5A1 LYS 514 HB3 0.03 -0.11 0.10 -0.04 1.79 1.77 1ox5A1 LYS 514 HG2 0.04 0.02 -0.01 -0.04 1.46 1.47 1ox5A1 LYS 514 HG3 0.05 0.01 0.04 -0.04 1.46 1.51 1ox5A1 LYS 514 HD2 0.04 -0.05 0.01 -0.04 1.69 1.65 1ox5A1 LYS 514 HD3 0.04 -0.04 0.02 -0.04 1.68 1.66 1ox5A1 LYS 514 HE2 0.04 0.02 -0.00 -0.04 2.99 3.01 1ox5A1 LYS 514 HE3 0.05 0.01 0.00 -0.04 2.99 3.01 1ox5A1 THR 515 H 0.02 0.40 -0.11 -0.55 8.28 8.04 1ox5A1 THR 515 HA 0.00 0.17 0.85 -0.75 4.39 4.66 1ox5A1 THR 515 HB -0.03 -0.12 0.13 -0.04 4.32 4.26 1ox5A1 THR 515 HG23 -0.03 -0.00 -0.13 -0.04 1.22 1.02 1ox5A1 ARG 516 H -0.00 0.06 0.06 -0.55 8.46 8.02 1ox5A1 ARG 516 HA 0.04 0.27 0.68 -0.75 4.34 4.58 1ox5A1 ARG 516 HB2 0.02 -0.07 0.06 -0.04 1.90 1.86 1ox5A1 ARG 516 HB3 0.05 0.05 0.14 -0.04 1.80 2.01 1ox5A1 ARG 516 HG2 0.03 0.06 -0.03 -0.04 1.67 1.69 1ox5A1 ARG 516 HG3 0.02 -0.05 -0.16 -0.04 1.67 1.44 1ox5A1 ARG 516 HD2 0.04 0.06 -0.02 -0.04 3.22 3.26 1ox5A1 ARG 516 HD3 0.02 0.00 -0.03 -0.04 3.22 3.18 1ox5A1 ALA 517 H -0.01 0.03 -0.38 -0.55 8.40 7.49 1ox5A1 ALA 517 HA -0.03 -0.02 0.38 -0.75 4.34 3.93 1ox5A1 ALA 517 HB3 -0.17 -0.00 0.02 -0.04 1.41 1.22 1ox5A1 ASP 518 H 0.04 0.49 0.41 -0.55 8.40 8.80 1ox5A1 ASP 518 HA 0.17 0.22 0.75 -0.75 4.63 5.03 1ox5A1 ASP 518 HB2 0.06 -0.09 0.10 -0.04 2.71 2.73 1ox5A1 ASP 518 HB3 0.10 0.06 0.19 -0.04 2.70 3.00 1ox5A1 ALA 519 H 0.09 0.15 0.02 -0.55 8.40 8.11 1ox5A1 ALA 519 HA 0.39 0.13 0.43 -0.75 4.34 4.54 1ox5A1 ALA 519 HB3 0.14 0.04 -0.07 -0.04 1.41 1.48 1ox5A1 CYS 520 H 0.27 0.79 0.30 -0.55 8.50 9.32 1ox5A1 CYS 520 HA -0.24 0.22 0.97 -0.75 4.58 4.77 1ox5A1 CYS 520 HB2 0.34 0.05 0.06 -0.04 2.97 3.38 1ox5A1 CYS 520 HB3 -0.09 -0.07 -0.05 -0.04 2.97 2.73 1ox5A1 LEU 521 H -0.02 0.66 0.29 -0.55 8.37 8.75 1ox5A1 LEU 521 HA 0.21 0.35 0.99 -0.75 4.35 5.13 1ox5A1 LEU 521 HB2 0.07 0.03 -0.19 -0.04 1.64 1.51 1ox5A1 LEU 521 HB3 0.05 -0.03 -0.04 -0.04 1.64 1.58 1ox5A1 LEU 521 HG 0.09 0.10 -0.23 -0.04 1.64 1.56 1ox5A1 LEU 521 HD13 0.04 -0.00 -0.25 -0.04 0.93 0.67 1ox5A1 LEU 521 HD23 0.07 -0.05 -0.43 -0.04 0.89 0.44 1ox5A1 GLY 522 H 0.28 0.75 0.33 -0.55 8.43 9.24 1ox5A1 GLY 522 HA2 0.03 -0.05 0.75 -0.51 4.01 4.23 1ox5A1 GLY 522 HA3 0.06 0.07 0.25 -0.51 4.01 3.88 1ox5A1 ALA 523 H -0.01 -0.01 0.12 -0.55 8.40 7.95 1ox5A1 ALA 523 HA 0.13 0.47 1.06 -0.75 4.34 5.25 1ox5A1 ALA 523 HB3 0.07 -0.03 0.08 -0.04 1.41 1.49 1ox5A1 GLY 524 H 0.03 0.06 0.21 -0.55 8.43 8.18 1ox5A1 GLY 524 HA2 0.09 0.14 0.39 -0.51 4.01 4.12 1ox5A1 GLY 524 HA3 0.01 0.09 0.41 -0.51 4.01 4.01 1ox5A1 MET 525 H -0.11 0.05 -0.08 -0.55 8.47 7.78 1ox5A1 MET 525 HA 0.01 0.11 0.40 -0.75 4.52 4.29 1ox5A1 MET 525 HB2 -0.01 0.13 -0.02 -0.04 2.15 2.20 1ox5A1 MET 525 HB3 -0.11 0.08 0.05 -0.04 2.03 2.01 1ox5A1 MET 525 HG2 -0.61 -0.19 -0.17 -0.04 2.63 1.62 1ox5A1 MET 525 HG3 -1.02 0.11 -0.39 -0.04 2.56 1.21 1ox5A1 MET 525 HE3 -0.25 0.05 -0.38 -0.04 2.10 1.47 1ox5A1 PHE 526 H -0.11 0.14 -0.33 -0.55 8.34 7.49 1ox5A1 PHE 526 HA 0.10 0.33 0.64 -0.75 4.62 4.94 1ox5A1 PHE 526 HB2 -0.15 0.12 0.03 -0.04 3.15 3.12 1ox5A1 PHE 526 HB3 -0.25 0.02 0.02 -0.04 3.06 2.81 1ox5A1 PHE 526 HD2 -0.08 0.23 -0.16 -0.04 7.28 7.23 1ox5A1 PHE 526 HE2 -0.02 0.10 -0.31 -0.04 7.38 7.12 1ox5A1 PHE 526 HZ -0.23 0.02 -0.19 -0.04 7.32 6.88 1ox5A1 HIS 527 H 0.31 0.35 -0.08 -0.55 8.41 8.44 1ox5A1 HIS 527 HA 0.27 0.11 0.51 -0.75 4.63 4.76 1ox5A1 HIS 527 HB2 0.21 0.01 0.08 -0.04 3.26 3.52 1ox5A1 HIS 527 HB3 0.11 0.02 0.07 -0.04 3.20 3.36 1ox5A1 HIS 527 HD2 0.06 -0.02 -0.04 -0.04 6.97 6.93 1ox5A1 HIS 527 HE1 0.03 -0.00 0.01 -0.04 7.75 7.74 1ox5A1 ARG 528 H 0.13 0.25 -0.28 -0.55 8.46 8.01 1ox5A1 ARG 528 HA -0.06 0.14 0.66 -0.75 4.34 4.32 1ox5A1 ARG 528 HB2 0.03 -0.02 0.11 -0.04 1.90 1.98 1ox5A1 ARG 528 HB3 -0.02 0.01 0.12 -0.04 1.80 1.87 1ox5A1 ARG 528 HG2 -0.10 0.01 0.00 -0.04 1.67 1.54 1ox5A1 ARG 528 HG3 -0.03 0.11 0.02 -0.04 1.67 1.73 1ox5A1 ARG 528 HD2 -0.03 0.02 0.02 -0.04 3.22 3.19 1ox5A1 ARG 528 HD3 -0.03 -0.03 -0.01 -0.04 3.22 3.10 1ox5A1 GLY 529 H 0.18 0.27 -0.57 -0.55 8.43 7.76 1ox5A1 GLY 529 HA2 0.13 0.07 0.24 -0.51 4.01 3.93 1ox5A1 GLY 529 HA3 0.06 0.07 0.36 -0.51 4.01 3.99 1ox5A1 GLU 530 H 0.04 -0.02 -0.54 -0.55 8.60 7.53 1ox5A1 GLU 530 HA -0.17 0.04 0.40 -0.75 4.29 3.80 1ox5A1 GLU 530 HB2 0.15 0.01 0.16 -0.04 2.09 2.37 1ox5A1 GLU 530 HB3 -0.08 -0.01 0.02 -0.04 1.99 1.88 1ox5A1 GLU 530 HG2 -0.05 0.04 0.04 -0.04 2.34 2.33 1ox5A1 GLU 530 HG3 0.01 -0.05 0.04 -0.04 2.34 2.30 1ox5A1 PHE 531 H 0.22 0.37 -0.08 -0.55 8.34 8.29 1ox5A1 PHE 531 HA 0.04 0.16 0.64 -0.75 4.62 4.70 1ox5A1 PHE 531 HB2 0.02 -0.07 -0.16 -0.04 3.15 2.90 1ox5A1 PHE 531 HB3 0.03 -0.04 0.03 -0.04 3.06 3.05 1ox5A1 PHE 531 HD2 -0.03 -0.04 -0.08 -0.04 7.28 7.09 1ox5A1 PHE 531 HE2 -0.06 0.03 0.03 -0.04 7.38 7.34 1ox5A1 PHE 531 HZ -0.08 -0.02 0.02 -0.04 7.32 7.21 1ox5A1 THR 532 H 0.21 0.07 0.14 -0.55 8.28 8.15 1ox5A1 THR 532 HA 0.19 0.26 0.78 -0.75 4.39 4.86 1ox5A1 THR 532 HB 0.02 0.05 0.22 -0.04 4.32 4.56 1ox5A1 THR 532 HG23 0.07 0.05 -0.04 -0.04 1.22 1.26 1ox5A1 VAL 533 H -0.21 0.29 0.16 -0.55 8.24 7.92 1ox5A1 VAL 533 HA -0.29 0.01 0.38 -0.75 4.13 3.47 1ox5A1 VAL 533 HB -0.26 0.29 -0.04 -0.04 2.12 2.07 1ox5A1 VAL 533 HG13 -0.24 0.01 -0.28 -0.04 0.97 0.42 1ox5A1 VAL 533 HG23 -0.94 -0.01 -0.02 -0.04 0.95 -0.07 1ox5A1 ASN 534 H -0.08 0.31 0.06 -0.55 8.53 8.28 1ox5A1 ASN 534 HA -0.07 0.12 0.39 -0.75 4.76 4.44 1ox5A1 ASN 534 HB2 -0.03 -0.05 0.10 -0.04 2.88 2.86 1ox5A1 ASN 534 HB3 -0.03 -0.01 -0.01 -0.04 2.79 2.70 1ox5A1 ASN 534 HD21 -0.09 0.08 -0.20 -0.04 7.03 6.78 1ox5A1 ASN 534 HD22 -0.05 -0.06 0.02 -0.04 7.74 7.60 1ox5A1 ASP 535 H 0.05 0.05 -0.39 -0.55 8.40 7.56 1ox5A1 ASP 535 HA 0.07 0.10 0.39 -0.75 4.63 4.44 1ox5A1 ASP 535 HB2 0.21 0.09 0.16 -0.04 2.71 3.13 1ox5A1 ASP 535 HB3 0.26 0.03 0.03 -0.04 2.70 2.98 1ox5A1 VAL 536 H -0.01 0.37 -0.22 -0.55 8.24 7.83 1ox5A1 VAL 536 HA -0.15 -0.06 0.42 -0.75 4.13 3.59 1ox5A1 VAL 536 HB -0.23 0.25 0.13 -0.04 2.12 2.23 1ox5A1 VAL 536 HG13 -0.80 -0.01 -0.13 -0.04 0.97 -0.01 1ox5A1 VAL 536 HG23 -0.33 -0.01 -0.09 -0.04 0.95 0.48 1ox5A1 LYS 537 H -0.07 0.54 -0.10 -0.55 8.42 8.24 1ox5A1 LYS 537 HA -0.03 0.02 0.37 -0.75 4.32 3.93 1ox5A1 LYS 537 HB2 -0.07 0.03 0.15 -0.04 1.87 1.94 1ox5A1 LYS 537 HB3 -0.07 0.04 -0.04 -0.04 1.79 1.68 1ox5A1 LYS 537 HG2 -0.09 -0.04 0.02 -0.04 1.46 1.31 1ox5A1 LYS 537 HG3 -0.11 0.06 0.01 -0.04 1.46 1.37 1ox5A1 LYS 537 HD2 -0.14 -0.08 -0.05 -0.04 1.69 1.39 1ox5A1 LYS 537 HD3 -0.14 0.20 0.05 -0.04 1.68 1.75 1ox5A1 LYS 537 HE2 -0.15 -0.11 0.10 -0.04 2.99 2.79 1ox5A1 LYS 537 HE3 -0.15 -0.11 0.03 -0.04 2.99 2.71 1ox5A1 GLU 538 H 0.01 0.62 -0.14 -0.55 8.60 8.54 1ox5A1 GLU 538 HA 0.00 0.05 0.35 -0.75 4.29 3.95 1ox5A1 GLU 538 HB2 0.06 0.07 0.16 -0.04 2.09 2.35 1ox5A1 GLU 538 HB3 0.05 -0.04 -0.01 -0.04 1.99 1.94 1ox5A1 GLU 538 HG2 0.00 0.21 0.05 -0.04 2.34 2.57 1ox5A1 GLU 538 HG3 0.02 -0.07 -0.02 -0.04 2.34 2.23 1ox5A1 TYR 539 H 0.15 0.38 -0.27 -0.55 8.29 8.00 1ox5A1 TYR 539 HA 0.08 0.04 0.41 -0.75 4.56 4.33 1ox5A1 TYR 539 HB2 -0.02 0.01 0.11 -0.04 3.06 3.12 1ox5A1 TYR 539 HB3 -0.06 0.14 0.15 -0.04 2.98 3.17 1ox5A1 TYR 539 HD2 -0.04 0.05 -0.15 -0.04 7.15 6.97 1ox5A1 TYR 539 HE2 -0.15 0.00 -0.09 -0.04 6.85 6.57 1ox5A1 LEU 540 H 0.12 0.50 -0.09 -0.55 8.37 8.35 1ox5A1 LEU 540 HA 0.02 -0.01 0.36 -0.75 4.35 3.97 1ox5A1 LEU 540 HB2 0.03 0.13 0.07 -0.04 1.64 1.82 1ox5A1 LEU 540 HB3 0.03 -0.01 -0.10 -0.04 1.64 1.53 1ox5A1 LEU 540 HG 0.16 0.19 0.02 -0.04 1.64 1.97 1ox5A1 LEU 540 HD13 0.17 -0.02 -0.15 -0.04 0.93 0.88 1ox5A1 LEU 540 HD23 0.31 -0.04 -0.13 -0.04 0.89 0.98 1ox5A1 LEU 541 H -0.00 0.60 -0.19 -0.55 8.37 8.23 1ox5A1 LEU 541 HA -0.03 0.30 0.41 -0.75 4.35 4.27 1ox5A1 LEU 541 HB2 -0.03 0.09 0.09 -0.04 1.64 1.75 1ox5A1 LEU 541 HB3 -0.02 0.06 0.11 -0.04 1.64 1.76 1ox5A1 LEU 541 HG -0.04 -0.04 -0.07 -0.04 1.64 1.46 1ox5A1 LEU 541 HD13 -0.05 0.02 0.05 -0.04 0.93 0.91 1ox5A1 LEU 541 HD23 -0.04 -0.03 -0.06 -0.04 0.89 0.73 1ox5A1 GLU 542 H -0.01 0.36 -0.33 -0.55 8.60 8.07 1ox5A1 GLU 542 HA -0.07 0.01 0.44 -0.75 4.29 3.91 1ox5A1 GLU 542 HB2 -0.01 0.18 0.18 -0.04 2.09 2.40 1ox5A1 GLU 542 HB3 -0.02 0.11 0.12 -0.04 1.99 2.16 1ox5A1 GLU 542 HG2 -0.17 -0.03 0.03 -0.04 2.34 2.13 1ox5A1 GLU 542 HG3 -0.07 -0.03 0.09 -0.04 2.34 2.29 1ox5A1 HIS 543 H 0.02 0.29 -0.54 -0.55 8.41 7.63 1ox5A1 HIS 543 HA -0.12 0.13 0.83 -0.75 4.63 4.71 1ox5A1 HIS 543 HB2 -0.20 0.04 0.12 -0.04 3.26 3.18 1ox5A1 HIS 543 HB3 -0.10 -0.06 0.18 -0.04 3.20 3.18 1ox5A1 HIS 543 HD2 -0.08 -0.03 -0.00 -0.04 6.97 6.82 1ox5A1 HIS 543 HE1 -0.51 -0.07 -0.05 -0.04 7.75 7.08 1ox5A1 GLY 544 H -0.04 0.37 -0.38 -0.55 8.43 7.83 1ox5A1 GLY 544 HA2 -0.04 0.05 0.29 -0.51 4.01 3.80 1ox5A1 GLY 544 HA3 -0.03 0.02 0.45 -0.51 4.01 3.94 1ox5A1 LEU 545 H -0.01 0.44 -0.14 -0.55 8.37 8.11 1ox5A1 LEU 545 HA -0.05 0.08 0.64 -0.75 4.35 4.27 1ox5A1 LEU 545 HB2 -0.03 -0.06 -0.15 -0.04 1.64 1.37 1ox5A1 LEU 545 HB3 -0.11 -0.02 -0.03 -0.04 1.64 1.44 1ox5A1 LEU 545 HG 0.03 0.09 -0.14 -0.04 1.64 1.58 1ox5A1 LEU 545 HD13 0.10 -0.04 -0.05 -0.04 0.93 0.89 1ox5A1 LEU 545 HD23 -0.01 0.02 -0.09 -0.04 0.89 0.77 1ox5A1 LYS 546 H -0.10 0.10 0.13 -0.55 8.42 7.99 1ox5A1 LYS 546 HA -0.08 0.23 0.72 -0.75 4.32 4.44 1ox5A1 LYS 546 HB2 -0.10 -0.05 0.09 -0.04 1.87 1.77 1ox5A1 LYS 546 HB3 -0.09 0.09 -0.02 -0.04 1.79 1.73 1ox5A1 LYS 546 HG2 -0.08 -0.04 0.01 -0.04 1.46 1.31 1ox5A1 LYS 546 HG3 -0.11 -0.19 0.04 -0.04 1.46 1.16 1ox5A1 LYS 546 HD2 -0.08 0.19 -0.02 -0.04 1.69 1.74 1ox5A1 LYS 546 HD3 -0.07 0.06 -0.09 -0.04 1.68 1.55 1ox5A1 LYS 546 HE2 -0.05 -0.01 -0.04 -0.04 2.99 2.84 1ox5A1 LYS 546 HE3 -0.07 -0.31 0.02 -0.04 2.99 2.59 1ox5A1 VAL 547 H -0.09 0.37 0.18 -0.55 8.24 8.15 1ox5A1 VAL 547 HA -0.12 0.05 0.77 -0.75 4.13 4.08 1ox5A1 VAL 547 HB -0.11 0.03 0.04 -0.04 2.12 2.04 1ox5A1 VAL 547 HG13 -0.08 0.00 -0.26 -0.04 0.97 0.59 1ox5A1 VAL 547 HG23 -0.07 0.03 -0.13 -0.04 0.95 0.74 1ox5A1 ARG 548 H -0.22 0.12 0.11 -0.55 8.46 7.91 1ox5A1 ARG 548 HA -0.21 0.11 0.52 -0.75 4.34 4.00 1ox5A1 ARG 548 HB2 -0.62 -0.01 0.05 -0.04 1.90 1.28 1ox5A1 ARG 548 HB3 -0.58 -0.00 0.13 -0.04 1.80 1.31 1ox5A1 ARG 548 HG2 -0.46 -0.05 -0.30 -0.04 1.67 0.81 1ox5A1 ARG 548 HG3 -0.49 -0.00 -0.06 -0.04 1.67 1.08 1ox5A1 ARG 548 HD2 -2.74 0.01 -0.08 -0.04 3.22 0.36 1ox5A1 ARG 548 HD3 -1.67 -0.01 -0.03 -0.04 3.22 1.47 1ox5A1 MET 549 H -0.16 0.27 0.09 -0.55 8.47 8.13 1ox5A1 MET 549 HA -0.14 0.08 0.69 -0.75 4.52 4.41 1ox5A1 MET 549 HB2 -0.08 0.06 0.15 -0.04 2.15 2.24 1ox5A1 MET 549 HB3 -0.07 -0.05 0.02 -0.04 2.03 1.89 1ox5A1 MET 549 HG2 -0.10 0.11 -0.54 -0.04 2.63 2.06 1ox5A1 MET 549 HG3 -0.07 -0.01 -0.10 -0.04 2.56 2.34 1ox5A1 MET 549 HE3 -0.05 -0.02 -0.04 -0.04 2.10 1.94 1ox5A1 ASP 550 H -0.14 0.24 -0.03 -0.55 8.40 7.91 1ox5A1 ASP 550 HA -0.05 0.27 0.74 -0.75 4.63 4.84 1ox5A1 ASP 550 HB2 -0.14 0.02 -0.12 -0.04 2.71 2.43 1ox5A1 ASP 550 HB3 -0.10 0.03 0.08 -0.04 2.70 2.67