============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 11 1.000 28.017 17.515 35.466 -99.200 -91.000 TYR 15 0.840 28.270 5.924 39.145 -99.200 -91.000 PHE 39 1.000 24.145 14.766 24.952 -99.200 -91.000 TYR 41 0.840 21.439 14.928 19.993 -99.200 -91.000 TYR 69 0.840 39.933 13.313 30.251 -99.200 -91.000 TRP 74 1.040 27.736 2.405 23.288 -99.200 -91.000 TRP6 74 1.020 29.163 0.530 23.046 -99.200 -91.000 HIS 76 0.900 20.509 2.492 22.040 -99.200 -91.000 TYR 108 0.840 39.367 4.926 25.593 -99.200 -91.000 TYR 115 0.840 20.752 4.231 18.296 -99.200 -91.000 TYR 123 0.840 11.728 10.878 13.156 -99.200 -91.000 TYR 125 0.840 9.646 6.268 11.957 -99.200 -91.000 HIS 126 0.900 15.445 3.129 16.705 -99.200 -91.000 TYR 128 0.840 16.259 -2.890 14.907 -99.200 -91.000 HIS 130 0.900 17.331 5.620 7.711 -99.200 -91.000 HIS 151 0.900 29.066 25.978 30.589 -99.200 -91.000 TYR 165 0.840 25.707 -6.138 22.266 -99.200 -91.000 HIS 170 0.900 23.155 -0.873 10.280 -99.200 -91.000 HIS 182 0.900 29.472 12.948 2.573 -99.200 -91.000 PHE 187 1.000 32.097 14.845 14.252 -99.200 -91.000 HIS 188 0.900 42.772 13.297 13.604 -99.200 -91.000 TYR 199 0.840 29.638 -5.088 11.069 -99.200 -91.000 PHE 205 1.000 16.484 -9.050 9.106 -99.200 -91.000 TRP 209 1.040 12.640 -15.395 5.002 -99.200 -91.000 TRP6 209 1.020 12.093 -13.378 6.115 -99.200 -91.000 TRP 218 1.040 18.348 -14.795 13.386 -99.200 -91.000 TRP6 218 1.020 16.752 -13.541 12.177 -99.200 -91.000 PHE 220 1.000 17.450 -14.047 21.710 -99.200 -91.000 TYR 227 0.840 12.598 -2.059 17.071 -99.200 -91.000 HIS 234 0.900 6.312 2.970 11.672 -99.200 -91.000 TYR 236 0.840 13.915 3.013 3.282 -99.200 -91.000 TYR 240 0.840 3.166 -2.941 6.933 -99.200 -91.000 PHE 247 1.000 4.582 -8.158 10.768 -99.200 -91.000 TRP 251 1.040 0.928 -13.590 15.399 -99.200 -91.000 TRP6 251 1.020 1.052 -14.057 17.707 -99.200 -91.000 PHE 259 1.000 8.717 -5.021 17.598 -99.200 -91.000 PHE 269 1.000 13.270 -15.414 24.563 -99.200 -91.000 TYR 283 0.840 5.277 -12.731 13.681 -99.200 -91.000 PHE 284 1.000 7.837 -12.661 9.393 -99.200 -91.000 PHE 288 1.000 7.402 -10.109 4.253 -99.200 -91.000 TYR 289 0.840 9.078 -17.789 5.834 -99.200 -91.000 PHE 292 1.000 13.855 -10.967 3.174 -99.200 -91.000 PHE 300 1.000 12.417 -6.707 5.995 -99.200 -91.000 TRP 312 1.040 31.691 1.259 3.691 -99.200 -91.000 TRP6 312 1.020 32.872 2.268 5.472 -99.200 -91.000 PHE 341 1.000 34.395 -2.790 4.794 -99.200 -91.000 PHE 365 1.000 19.171 -17.468 24.981 -99.200 -91.000 HIS 367 0.900 24.075 -10.202 19.390 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h2iA1 PRO 2 HA 0.02 -0.10 0.21 -0.51 4.44 4.06 3h2iA1 PRO 2 HB2 0.04 -0.02 -0.06 -0.04 2.28 2.20 3h2iA1 PRO 2 HB3 0.03 -0.00 0.00 -0.04 2.02 2.01 3h2iA1 PRO 2 HG2 0.02 -0.02 0.00 -0.04 2.03 1.99 3h2iA1 PRO 2 HG3 0.02 -0.00 0.02 -0.04 2.03 2.03 3h2iA1 PRO 2 HD2 0.02 -0.02 0.06 -0.04 3.68 3.70 3h2iA1 PRO 2 HD3 0.02 -0.01 0.02 -0.04 3.65 3.64 3h2iA1 ALA 3 H 0.03 0.07 0.06 -0.55 8.40 8.01 3h2iA1 ALA 3 HA 0.03 0.06 0.43 -0.75 4.34 4.11 3h2iA1 ALA 3 HB3 0.03 0.02 0.06 -0.04 1.41 1.47 3h2iA1 ARG 4 H 0.04 0.09 0.13 -0.55 8.46 8.17 3h2iA1 ARG 4 HA 0.09 0.06 0.26 -0.75 4.34 3.99 3h2iA1 ARG 4 HB2 0.06 -0.01 0.11 -0.04 1.90 2.01 3h2iA1 ARG 4 HB3 0.08 0.00 -0.02 -0.04 1.80 1.82 3h2iA1 ARG 4 HG2 0.05 -0.04 -0.09 -0.04 1.67 1.55 3h2iA1 ARG 4 HG3 0.04 0.03 0.03 -0.04 1.67 1.73 3h2iA1 ARG 4 HD2 0.03 0.03 -0.04 -0.04 3.22 3.19 3h2iA1 ARG 4 HD3 0.04 0.02 -0.01 -0.04 3.22 3.22 3h2iA1 GLY 5 H 0.19 0.73 0.33 -0.55 8.43 9.14 3h2iA1 GLY 5 HA2 0.12 0.09 0.42 -0.51 4.01 4.13 3h2iA1 GLY 5 HA3 0.08 0.08 0.59 -0.51 4.01 4.25 3h2iA1 THR 6 H 0.10 0.45 -0.17 -0.55 8.28 8.12 3h2iA1 THR 6 HA 0.05 0.03 0.38 -0.75 4.39 4.10 3h2iA1 THR 6 HB 0.07 -0.08 0.08 -0.04 4.32 4.35 3h2iA1 THR 6 HG23 0.04 0.00 -0.20 -0.04 1.22 1.03 3h2iA1 LEU 7 H 0.04 0.14 0.22 -0.55 8.37 8.22 3h2iA1 LEU 7 HA 0.15 0.06 0.61 -0.75 4.35 4.42 3h2iA1 LEU 7 HB2 -0.02 0.06 0.19 -0.04 1.64 1.83 3h2iA1 LEU 7 HB3 0.00 -0.02 0.16 -0.04 1.64 1.74 3h2iA1 LEU 7 HG 0.03 -0.03 -0.38 -0.04 1.64 1.23 3h2iA1 LEU 7 HD13 -0.01 0.05 -0.01 -0.04 0.93 0.91 3h2iA1 LEU 7 HD23 -0.06 -0.02 -0.12 -0.04 0.89 0.66 3h2iA1 LEU 8 H 0.17 0.46 0.41 -0.55 8.37 8.86 3h2iA1 LEU 8 HA 0.05 0.13 0.69 -0.75 4.35 4.47 3h2iA1 LEU 8 HB2 0.08 -0.08 -0.09 -0.04 1.64 1.52 3h2iA1 LEU 8 HB3 0.05 -0.02 -0.05 -0.04 1.64 1.58 3h2iA1 LEU 8 HG 0.10 0.05 -0.08 -0.04 1.64 1.67 3h2iA1 LEU 8 HD13 0.02 -0.01 -0.19 -0.04 0.93 0.71 3h2iA1 LEU 8 HD23 0.04 0.02 -0.13 -0.04 0.89 0.78 3h2iA1 THR 9 H 0.13 0.28 0.31 -0.55 8.28 8.45 3h2iA1 THR 9 HA 0.05 0.24 0.78 -0.75 4.39 4.70 3h2iA1 THR 9 HB 0.05 0.05 0.09 -0.04 4.32 4.47 3h2iA1 THR 9 HG23 0.04 0.01 -0.21 -0.04 1.22 1.02 3h2iA1 SER 10 H 0.05 0.36 0.25 -0.55 8.46 8.57 3h2iA1 SER 10 HA 0.13 0.20 0.93 -0.75 4.49 5.00 3h2iA1 SER 10 HB2 -0.02 0.00 0.10 -0.04 3.95 3.99 3h2iA1 SER 10 HB3 0.01 0.03 -0.17 -0.04 3.93 3.76 3h2iA1 ASN 11 H -0.00 0.48 0.32 -0.55 8.53 8.79 3h2iA1 ASN 11 HA 0.06 0.06 0.62 -0.75 4.76 4.74 3h2iA1 ASN 11 HB2 0.05 0.09 -0.39 -0.04 2.88 2.58 3h2iA1 ASN 11 HB3 0.04 -0.10 -0.09 -0.04 2.79 2.60 3h2iA1 ASN 11 HD21 0.06 0.02 0.00 -0.04 7.03 7.07 3h2iA1 ASN 11 HD22 0.05 -0.15 -0.26 -0.04 7.74 7.34 3h2iA1 PHE 12 H 0.26 0.15 0.18 -0.55 8.34 8.38 3h2iA1 PHE 12 HA 0.03 0.09 0.79 -0.75 4.62 4.77 3h2iA1 PHE 12 HB2 0.01 -0.01 0.13 -0.04 3.15 3.24 3h2iA1 PHE 12 HB3 -0.01 0.03 -0.03 -0.04 3.06 3.00 3h2iA1 PHE 12 HD2 0.01 0.01 -0.01 -0.04 7.28 7.24 3h2iA1 PHE 12 HE2 0.02 0.02 -0.07 -0.04 7.38 7.31 3h2iA1 PHE 12 HZ 0.02 0.06 -0.06 -0.04 7.32 7.29 3h2iA1 LEU 13 H 0.12 0.76 0.50 -0.55 8.37 9.20 3h2iA1 LEU 13 HA 0.06 0.18 0.94 -0.75 4.35 4.77 3h2iA1 LEU 13 HB2 0.04 0.06 0.07 -0.04 1.64 1.76 3h2iA1 LEU 13 HB3 0.03 -0.04 -0.07 -0.04 1.64 1.52 3h2iA1 LEU 13 HG 0.03 0.01 -0.20 -0.04 1.64 1.43 3h2iA1 LEU 13 HD13 0.02 -0.03 -0.25 -0.04 0.93 0.63 3h2iA1 LEU 13 HD23 0.03 0.03 -0.06 -0.04 0.89 0.84 3h2iA1 THR 14 H 0.03 0.34 0.38 -0.55 8.28 8.48 3h2iA1 THR 14 HA -0.07 0.15 0.52 -0.75 4.39 4.24 3h2iA1 THR 14 HB -0.07 0.14 -0.12 -0.04 4.32 4.23 3h2iA1 THR 14 HG23 -0.22 -0.02 -0.17 -0.04 1.22 0.77 3h2iA1 SER 15 H -0.35 0.29 0.24 -0.55 8.46 8.10 3h2iA1 SER 15 HA -0.24 0.23 0.97 -0.75 4.49 4.69 3h2iA1 SER 15 HB2 -0.10 0.04 -0.18 -0.04 3.95 3.66 3h2iA1 SER 15 HB3 -0.13 -0.02 -0.02 -0.04 3.93 3.72 3h2iA1 TYR 16 H -0.03 0.50 0.22 -0.55 8.29 8.43 3h2iA1 TYR 16 HA 0.00 0.10 0.87 -0.75 4.56 4.78 3h2iA1 TYR 16 HB2 -0.00 -0.00 0.12 -0.04 3.06 3.13 3h2iA1 TYR 16 HB3 -0.00 0.02 0.01 -0.04 2.98 2.97 3h2iA1 TYR 16 HD2 -0.00 -0.00 -0.04 -0.04 7.15 7.07 3h2iA1 TYR 16 HE2 0.00 -0.03 -0.17 -0.04 6.85 6.61 3h2iA1 THR 17 H 0.10 0.15 0.14 -0.55 8.28 8.11 3h2iA1 THR 17 HA 0.04 0.12 0.49 -0.75 4.39 4.28 3h2iA1 THR 17 HB 0.03 0.00 0.14 -0.04 4.32 4.44 3h2iA1 THR 17 HG23 0.02 0.05 0.05 -0.04 1.22 1.30 3h2iA1 ARG 18 H 0.03 0.16 0.12 -0.55 8.46 8.21 3h2iA1 ARG 18 HA 0.03 0.30 0.24 -0.75 4.34 4.16 3h2iA1 ARG 18 HB2 0.02 -0.04 -0.08 -0.04 1.90 1.77 3h2iA1 ARG 18 HB3 0.02 -0.03 -0.08 -0.04 1.80 1.67 3h2iA1 ARG 18 HG2 0.02 0.01 -0.42 -0.04 1.67 1.23 3h2iA1 ARG 18 HG3 0.02 0.03 -0.74 -0.04 1.67 0.93 3h2iA1 ARG 18 HD2 0.02 0.15 -0.27 -0.04 3.22 3.08 3h2iA1 ARG 18 HD3 0.02 -0.12 -0.19 -0.04 3.22 2.89 3h2iA1 ASP 19 H 0.02 0.04 -0.18 -0.55 8.40 7.74 3h2iA1 ASP 19 HA 0.01 0.15 0.38 -0.75 4.63 4.42 3h2iA1 ASP 19 HB2 0.02 -0.06 0.02 -0.04 2.71 2.65 3h2iA1 ASP 19 HB3 0.01 0.07 -0.02 -0.04 2.70 2.72 3h2iA1 ALA 20 H 0.03 0.02 -0.31 -0.55 8.40 7.60 3h2iA1 ALA 20 HA 0.01 0.07 0.40 -0.75 4.34 4.07 3h2iA1 ALA 20 HB3 0.06 0.04 0.09 -0.04 1.41 1.57 3h2iA1 ILE 21 H 0.02 0.48 -0.22 -0.55 8.25 7.98 3h2iA1 ILE 21 HA -0.07 0.03 0.35 -0.75 4.18 3.74 3h2iA1 ILE 21 HB 0.00 0.14 0.13 -0.04 1.89 2.13 3h2iA1 ILE 21 HG12 -0.07 -0.05 -0.08 -0.04 1.49 1.25 3h2iA1 ILE 21 HG13 0.04 0.05 -0.08 -0.04 1.21 1.18 3h2iA1 ILE 21 HG23 -0.03 -0.01 -0.12 -0.04 0.93 0.73 3h2iA1 ILE 21 HD13 0.04 0.05 -0.09 -0.04 0.88 0.85 3h2iA1 SER 22 H -0.00 0.55 -0.07 -0.55 8.46 8.40 3h2iA1 SER 22 HA -0.01 0.06 0.46 -0.75 4.49 4.25 3h2iA1 SER 22 HB2 0.00 0.03 0.17 -0.04 3.95 4.11 3h2iA1 SER 22 HB3 -0.00 0.04 0.05 -0.04 3.93 3.97 3h2iA1 ALA 23 H -0.01 0.49 -0.35 -0.55 8.40 7.98 3h2iA1 ALA 23 HA -0.01 -0.00 0.43 -0.75 4.34 4.01 3h2iA1 ALA 23 HB3 -0.01 0.04 0.13 -0.04 1.41 1.53 3h2iA1 MET 24 H -0.03 0.47 -0.12 -0.55 8.47 8.24 3h2iA1 MET 24 HA -0.04 -0.04 0.38 -0.75 4.52 4.07 3h2iA1 MET 24 HB2 -0.07 0.22 0.18 -0.04 2.15 2.44 3h2iA1 MET 24 HB3 -0.07 -0.10 -0.04 -0.04 2.03 1.78 3h2iA1 MET 24 HG2 -0.08 -0.05 0.02 -0.04 2.63 2.48 3h2iA1 MET 24 HG3 -0.07 0.20 0.05 -0.04 2.56 2.69 3h2iA1 MET 24 HE3 -0.33 -0.02 -0.14 -0.04 2.10 1.58 3h2iA1 LEU 25 H -0.03 0.51 -0.16 -0.55 8.37 8.14 3h2iA1 LEU 25 HA -0.03 -0.07 0.25 -0.75 4.35 3.75 3h2iA1 LEU 25 HB2 -0.02 0.16 0.10 -0.04 1.64 1.85 3h2iA1 LEU 25 HB3 -0.02 -0.05 -0.06 -0.04 1.64 1.48 3h2iA1 LEU 25 HG -0.03 0.08 -0.04 -0.04 1.64 1.61 3h2iA1 LEU 25 HD13 -0.01 -0.03 -0.28 -0.04 0.93 0.57 3h2iA1 LEU 25 HD23 -0.03 -0.04 -0.15 -0.04 0.89 0.63 3h2iA1 ALA 26 H -0.02 0.33 -0.51 -0.55 8.40 7.66 3h2iA1 ALA 26 HA -0.01 -0.03 0.41 -0.75 4.34 3.95 3h2iA1 ALA 26 HB3 -0.01 0.01 0.14 -0.04 1.41 1.52 3h2iA1 SER 27 H -0.02 0.30 -0.11 -0.55 8.46 8.08 3h2iA1 SER 27 HA -0.01 -0.05 0.16 -0.75 4.49 3.83 3h2iA1 SER 27 HB2 -0.02 -0.13 0.06 -0.04 3.95 3.82 3h2iA1 SER 27 HB3 -0.02 0.16 0.08 -0.04 3.93 4.10 3h2iA1 PRO 37 HA -0.00 0.00 0.30 -0.51 4.44 4.23 3h2iA1 PRO 37 HB2 0.00 -0.05 0.13 -0.04 2.28 2.32 3h2iA1 PRO 37 HB3 -0.00 0.04 0.10 -0.04 2.02 2.11 3h2iA1 PRO 37 HG2 0.00 -0.05 0.04 -0.04 2.03 1.98 3h2iA1 PRO 37 HG3 -0.00 0.02 0.05 -0.04 2.03 2.06 3h2iA1 PRO 37 HD2 0.00 -0.03 0.02 -0.04 3.68 3.64 3h2iA1 PRO 37 HD3 0.00 -0.03 0.03 -0.04 3.65 3.61 3h2iA1 GLU 38 H -0.00 0.07 0.02 -0.55 8.60 8.15 3h2iA1 GLU 38 HA 0.00 0.03 0.39 -0.75 4.29 3.97 3h2iA1 GLU 38 HB2 -0.00 -0.05 0.08 -0.04 2.09 2.08 3h2iA1 GLU 38 HB3 -0.01 -0.00 -0.07 -0.04 1.99 1.87 3h2iA1 GLU 38 HG2 0.00 0.10 -0.10 -0.04 2.34 2.31 3h2iA1 GLU 38 HG3 0.01 -0.01 0.02 -0.04 2.34 2.31 3h2iA1 GLN 39 H 0.01 0.18 0.16 -0.55 8.47 8.27 3h2iA1 GLN 39 HA -0.00 0.12 0.97 -0.75 4.36 4.69 3h2iA1 GLN 39 HB2 0.01 -0.01 0.09 -0.04 2.15 2.19 3h2iA1 GLN 39 HB3 0.01 0.03 0.03 -0.04 2.02 2.04 3h2iA1 GLN 39 HG2 0.00 0.03 -0.10 -0.04 2.40 2.28 3h2iA1 GLN 39 HG3 0.00 0.12 -0.12 -0.04 2.39 2.35 3h2iA1 GLN 39 HE21 0.00 -0.06 -0.01 -0.04 6.97 6.86 3h2iA1 GLN 39 HE22 0.00 0.06 -0.01 -0.04 7.69 7.71 3h2iA1 ALA 40 H 0.00 0.02 0.10 -0.55 8.40 7.97 3h2iA1 ALA 40 HA 0.01 0.13 0.40 -0.75 4.34 4.12 3h2iA1 ALA 40 HB3 0.01 0.02 0.11 -0.04 1.41 1.51 3h2iA1 LYS 41 H 0.02 0.57 0.40 -0.55 8.42 8.86 3h2iA1 LYS 41 HA 0.02 0.09 0.85 -0.75 4.32 4.53 3h2iA1 LYS 41 HB2 0.03 -0.01 0.05 -0.04 1.87 1.90 3h2iA1 LYS 41 HB3 0.03 0.11 0.16 -0.04 1.79 2.05 3h2iA1 LYS 41 HG2 0.03 0.05 -0.07 -0.04 1.46 1.43 3h2iA1 LYS 41 HG3 0.02 -0.09 0.11 -0.04 1.46 1.46 3h2iA1 LYS 41 HD2 0.03 -0.02 0.04 -0.04 1.69 1.69 3h2iA1 LYS 41 HD3 0.03 -0.05 0.02 -0.04 1.68 1.64 3h2iA1 LYS 41 HE2 0.04 -0.04 -0.26 -0.04 2.99 2.69 3h2iA1 LYS 41 HE3 0.05 0.01 -0.10 -0.04 2.99 2.91 3h2iA1 CYS 42 H 0.02 0.23 0.31 -0.55 8.50 8.52 3h2iA1 CYS 42 HA 0.03 0.19 1.06 -0.75 4.58 5.10 3h2iA1 CYS 42 HB2 0.00 -0.07 0.08 -0.04 2.97 2.94 3h2iA1 CYS 42 HB3 -0.02 -0.01 0.18 -0.04 2.97 3.08 3h2iA1 ASN 43 H 0.02 0.79 0.42 -0.55 8.53 9.21 3h2iA1 ASN 43 HA 0.04 0.01 0.58 -0.75 4.76 4.63 3h2iA1 ASN 43 HB2 0.02 -0.00 -0.07 -0.04 2.88 2.79 3h2iA1 ASN 43 HB3 0.02 -0.00 -0.02 -0.04 2.79 2.76 3h2iA1 ASN 43 HD21 0.02 -0.08 0.03 -0.04 7.03 6.96 3h2iA1 ASN 43 HD22 0.02 0.02 -0.30 -0.04 7.74 7.44 3h2iA1 VAL 44 H 0.09 0.59 0.26 -0.55 8.24 8.63 3h2iA1 VAL 44 HA 0.02 0.34 0.96 -0.75 4.13 4.70 3h2iA1 VAL 44 HB 0.16 -0.07 0.02 -0.04 2.12 2.19 3h2iA1 VAL 44 HG13 0.08 -0.03 -0.28 -0.04 0.97 0.69 3h2iA1 VAL 44 HG23 0.02 0.06 -0.48 -0.04 0.95 0.52 3h2iA1 ARG 45 H 0.04 0.92 0.28 -0.55 8.46 9.15 3h2iA1 ARG 45 HA 0.03 0.07 0.98 -0.75 4.34 4.67 3h2iA1 ARG 45 HB2 0.17 -0.01 0.15 -0.04 1.90 2.18 3h2iA1 ARG 45 HB3 0.30 0.00 0.07 -0.04 1.80 2.13 3h2iA1 ARG 45 HG2 0.06 0.00 -0.08 -0.04 1.67 1.61 3h2iA1 ARG 45 HG3 0.09 0.01 -0.06 -0.04 1.67 1.67 3h2iA1 ARG 45 HD2 -0.01 -0.01 -0.08 -0.04 3.22 3.09 3h2iA1 ARG 45 HD3 0.02 -0.16 -0.58 -0.04 3.22 2.46 3h2iA1 VAL 46 H 0.04 0.68 0.37 -0.55 8.24 8.78 3h2iA1 VAL 46 HA 0.05 0.24 1.12 -0.75 4.13 4.79 3h2iA1 VAL 46 HB 0.01 -0.11 0.15 -0.04 2.12 2.13 3h2iA1 VAL 46 HG13 0.05 -0.01 -0.13 -0.04 0.97 0.84 3h2iA1 VAL 46 HG23 0.15 0.01 -0.20 -0.04 0.95 0.87 3h2iA1 ALA 47 H 0.00 0.77 0.45 -0.55 8.40 9.08 3h2iA1 ALA 47 HA -0.09 0.14 1.19 -0.75 4.34 4.82 3h2iA1 ALA 47 HB3 -0.34 0.01 0.02 -0.04 1.41 1.06 3h2iA1 GLU 48 H -0.00 0.80 0.45 -0.55 8.60 9.30 3h2iA1 GLU 48 HA 0.03 0.20 1.08 -0.75 4.29 4.85 3h2iA1 GLU 48 HB2 -0.03 -0.03 0.14 -0.04 2.09 2.13 3h2iA1 GLU 48 HB3 0.00 -0.10 -0.05 -0.04 1.99 1.80 3h2iA1 GLU 48 HG2 0.02 0.19 0.01 -0.04 2.34 2.51 3h2iA1 GLU 48 HG3 0.03 -0.01 -0.21 -0.04 2.34 2.11 3h2iA1 PHE 49 H -0.23 0.40 0.40 -0.55 8.34 8.36 3h2iA1 PHE 49 HA 0.03 0.09 0.51 -0.75 4.62 4.49 3h2iA1 PHE 49 HB2 0.05 0.26 0.28 -0.04 3.15 3.70 3h2iA1 PHE 49 HB3 -0.01 0.02 -0.10 -0.04 3.06 2.93 3h2iA1 PHE 49 HD2 0.09 0.03 -0.44 -0.04 7.28 6.92 3h2iA1 PHE 49 HE2 -0.18 0.04 -0.37 -0.04 7.38 6.83 3h2iA1 PHE 49 HZ -0.06 0.01 -0.18 -0.04 7.32 7.04 3h2iA1 THR 50 H 0.25 0.50 0.41 -0.55 8.28 8.89 3h2iA1 THR 50 HA 0.04 0.21 1.16 -0.75 4.39 5.05 3h2iA1 THR 50 HB -0.01 0.08 0.16 -0.04 4.32 4.51 3h2iA1 THR 50 HG23 -0.01 -0.03 -0.11 -0.04 1.22 1.03 3h2iA1 TYR 51 H -0.19 0.56 0.40 -0.55 8.29 8.52 3h2iA1 TYR 51 HA 0.10 0.08 0.82 -0.75 4.56 4.80 3h2iA1 TYR 51 HB2 0.12 0.11 -0.11 -0.04 3.06 3.13 3h2iA1 TYR 51 HB3 0.23 0.01 -0.22 -0.04 2.98 2.96 3h2iA1 TYR 51 HD2 0.18 0.08 -0.41 -0.04 7.15 6.95 3h2iA1 TYR 51 HE2 0.02 -0.03 -0.38 -0.04 6.85 6.41 3h2iA1 ALA 52 H 0.21 0.53 0.22 -0.55 8.40 8.81 3h2iA1 ALA 52 HA -0.00 0.19 0.90 -0.75 4.34 4.67 3h2iA1 ALA 52 HB3 0.07 0.03 0.06 -0.04 1.41 1.52 3h2iA1 THR 53 H 0.00 0.89 0.37 -0.55 8.28 8.99 3h2iA1 THR 53 HA 0.11 0.02 0.56 -0.75 4.39 4.33 3h2iA1 THR 53 HB 0.22 0.04 -0.30 -0.04 4.32 4.25 3h2iA1 THR 53 HG23 -0.09 0.01 -0.38 -0.04 1.22 0.72 3h2iA1 ILE 54 H 0.01 0.13 0.09 -0.55 8.25 7.93 3h2iA1 ILE 54 HA 0.00 0.35 1.02 -0.75 4.18 4.80 3h2iA1 ILE 54 HB 0.00 -0.05 -0.03 -0.04 1.89 1.77 3h2iA1 ILE 54 HG12 0.02 -0.09 -0.01 -0.04 1.49 1.36 3h2iA1 ILE 54 HG13 -0.02 -0.05 -0.07 -0.04 1.21 1.04 3h2iA1 ILE 54 HG23 0.02 0.01 -0.26 -0.04 0.93 0.65 3h2iA1 ILE 54 HD13 0.01 0.02 -0.05 -0.04 0.88 0.81 3h2iA1 GLY 55 H 0.01 0.60 0.11 -0.55 8.43 8.61 3h2iA1 GLY 55 HA2 -0.49 0.14 0.64 -0.51 4.01 3.79 3h2iA1 GLY 55 HA3 0.09 0.03 0.34 -0.51 4.01 3.96 3h2iA1 VAL 56 H 0.02 0.20 0.15 -0.55 8.24 8.07 3h2iA1 VAL 56 HA -0.01 0.07 0.36 -0.75 4.13 3.80 3h2iA1 VAL 56 HB -0.27 0.04 0.12 -0.04 2.12 1.97 3h2iA1 VAL 56 HG13 -0.25 -0.02 0.06 -0.04 0.97 0.72 3h2iA1 VAL 56 HG23 0.04 0.03 -0.06 -0.04 0.95 0.93 3h2iA1 GLU 57 H 0.07 -0.07 -0.38 -0.55 8.60 7.67 3h2iA1 GLU 57 HA 0.03 0.28 0.82 -0.75 4.29 4.66 3h2iA1 GLU 57 HB2 0.05 -0.10 0.02 -0.04 2.09 2.02 3h2iA1 GLU 57 HB3 0.03 0.06 0.13 -0.04 1.99 2.17 3h2iA1 GLU 57 HG2 0.06 -0.10 -0.06 -0.04 2.34 2.20 3h2iA1 GLU 57 HG3 0.03 0.04 0.00 -0.04 2.34 2.37 3h2iA1 GLY 58 H 0.02 0.38 -0.32 -0.55 8.43 7.97 3h2iA1 GLY 58 HA2 0.01 0.03 0.26 -0.51 4.01 3.81 3h2iA1 GLY 58 HA3 0.02 0.16 0.56 -0.51 4.01 4.24 3h2iA1 GLU 59 H 0.05 -0.14 -0.27 -0.55 8.60 7.69 3h2iA1 GLU 59 HA 0.03 0.18 0.51 -0.75 4.29 4.26 3h2iA1 GLU 59 HB2 0.04 0.09 0.11 -0.04 2.09 2.29 3h2iA1 GLU 59 HB3 0.05 -0.01 0.03 -0.04 1.99 2.01 3h2iA1 GLU 59 HG2 0.12 0.14 -0.37 -0.04 2.34 2.19 3h2iA1 GLU 59 HG3 0.08 0.07 -0.02 -0.04 2.34 2.43 3h2iA1 PRO 60 HA 0.03 0.24 0.61 -0.51 4.44 4.81 3h2iA1 PRO 60 HB2 0.03 0.01 0.03 -0.04 2.28 2.30 3h2iA1 PRO 60 HB3 0.03 0.09 0.15 -0.04 2.02 2.25 3h2iA1 PRO 60 HG2 0.03 -0.01 0.10 -0.04 2.03 2.11 3h2iA1 PRO 60 HG3 0.02 0.05 0.09 -0.04 2.03 2.15 3h2iA1 PRO 60 HD2 0.03 0.03 0.25 -0.04 3.68 3.95 3h2iA1 PRO 60 HD3 0.03 0.18 0.21 -0.04 3.65 4.03 3h2iA1 ALA 61 H 0.02 0.59 0.34 -0.55 8.40 8.81 3h2iA1 ALA 61 HA 0.05 0.08 0.48 -0.75 4.34 4.20 3h2iA1 ALA 61 HB3 0.03 -0.00 -0.27 -0.04 1.41 1.13 3h2iA1 THR 62 H -0.00 0.06 0.19 -0.55 8.28 7.97 3h2iA1 THR 62 HA -0.13 0.38 1.13 -0.75 4.39 5.02 3h2iA1 THR 62 HB -0.08 0.06 0.14 -0.04 4.32 4.40 3h2iA1 THR 62 HG23 -0.01 0.01 -0.12 -0.04 1.22 1.06 3h2iA1 ALA 63 H -0.38 0.53 0.38 -0.55 8.40 8.37 3h2iA1 ALA 63 HA -0.17 0.06 0.52 -0.75 4.34 4.00 3h2iA1 ALA 63 HB3 -0.51 0.02 -0.13 -0.04 1.41 0.75 3h2iA1 SER 64 H -0.09 0.20 0.25 -0.55 8.46 8.26 3h2iA1 SER 64 HA -0.13 0.35 1.21 -0.75 4.49 5.17 3h2iA1 SER 64 HB2 -0.11 0.08 0.23 -0.04 3.95 4.10 3h2iA1 SER 64 HB3 -0.08 0.04 0.03 -0.04 3.93 3.88 3h2iA1 GLY 65 H -0.54 0.65 0.48 -0.55 8.43 8.47 3h2iA1 GLY 65 HA2 -0.16 0.01 0.84 -0.51 4.01 4.19 3h2iA1 GLY 65 HA3 -0.56 0.11 0.40 -0.51 4.01 3.45 3h2iA1 VAL 66 H -0.02 0.63 0.42 -0.55 8.24 8.71 3h2iA1 VAL 66 HA -0.00 0.25 1.13 -0.75 4.13 4.76 3h2iA1 VAL 66 HB -0.00 -0.25 0.01 -0.04 2.12 1.83 3h2iA1 VAL 66 HG13 0.07 0.03 -0.01 -0.04 0.97 1.02 3h2iA1 VAL 66 HG23 0.03 0.04 -0.07 -0.04 0.95 0.91 3h2iA1 LEU 67 H 0.12 0.66 0.31 -0.55 8.37 8.91 3h2iA1 LEU 67 HA 0.14 0.35 1.02 -0.75 4.35 5.11 3h2iA1 LEU 67 HB2 0.22 0.00 -0.15 -0.04 1.64 1.67 3h2iA1 LEU 67 HB3 0.11 -0.08 0.00 -0.04 1.64 1.63 3h2iA1 LEU 67 HG -0.01 -0.03 -0.36 -0.04 1.64 1.19 3h2iA1 LEU 67 HD13 0.01 0.04 -0.11 -0.04 0.93 0.84 3h2iA1 LEU 67 HD23 -0.13 -0.01 -0.11 -0.04 0.89 0.61 3h2iA1 LEU 68 H 0.05 0.68 0.31 -0.55 8.37 8.86 3h2iA1 LEU 68 HA 0.03 0.27 1.06 -0.75 4.35 4.95 3h2iA1 LEU 68 HB2 0.00 -0.06 0.25 -0.04 1.64 1.80 3h2iA1 LEU 68 HB3 0.01 0.03 0.02 -0.04 1.64 1.66 3h2iA1 LEU 68 HG 0.01 -0.01 -0.13 -0.04 1.64 1.47 3h2iA1 LEU 68 HD13 -0.05 -0.01 -0.20 -0.04 0.93 0.62 3h2iA1 LEU 68 HD23 0.04 0.01 -0.16 -0.04 0.89 0.74 3h2iA1 ILE 69 H 0.02 0.65 0.33 -0.55 8.25 8.70 3h2iA1 ILE 69 HA -0.08 0.25 1.02 -0.75 4.18 4.62 3h2iA1 ILE 69 HB 0.06 -0.12 0.13 -0.04 1.89 1.92 3h2iA1 ILE 69 HG12 -0.00 0.07 -0.18 -0.04 1.49 1.33 3h2iA1 ILE 69 HG13 -0.00 -0.09 -0.34 -0.04 1.21 0.74 3h2iA1 ILE 69 HG23 0.00 0.06 -0.11 -0.04 0.93 0.84 3h2iA1 ILE 69 HD13 0.01 -0.01 -0.12 -0.04 0.88 0.72 3h2iA1 PRO 70 HA -0.08 0.30 0.79 -0.51 4.44 4.94 3h2iA1 PRO 70 HB2 -0.20 0.01 0.06 -0.04 2.28 2.11 3h2iA1 PRO 70 HB3 -0.14 0.34 0.15 -0.04 2.02 2.33 3h2iA1 PRO 70 HG2 -1.50 0.07 -0.05 -0.04 2.03 0.50 3h2iA1 PRO 70 HG3 -0.51 0.01 -0.35 -0.04 2.03 1.13 3h2iA1 PRO 70 HD2 -0.42 0.04 0.17 -0.04 3.68 3.43 3h2iA1 PRO 70 HD3 -0.20 0.22 -0.00 -0.04 3.65 3.63 3h2iA1 GLY 71 H -0.02 0.41 0.35 -0.55 8.43 8.63 3h2iA1 GLY 71 HA2 0.11 0.26 0.47 -0.51 4.01 4.34 3h2iA1 GLY 71 HA3 0.04 -0.04 0.28 -0.51 4.01 3.78 3h2iA1 GLY 72 H 0.06 0.17 0.04 -0.55 8.43 8.16 3h2iA1 GLY 72 HA2 0.03 -0.03 0.39 -0.51 4.01 3.88 3h2iA1 GLY 72 HA3 0.03 0.19 0.97 -0.51 4.01 4.69 3h2iA1 GLU 73 H 0.02 0.13 0.16 -0.55 8.60 8.36 3h2iA1 GLU 73 HA 0.02 0.10 0.38 -0.75 4.29 4.03 3h2iA1 GLU 73 HB2 0.01 -0.01 0.15 -0.04 2.09 2.21 3h2iA1 GLU 73 HB3 0.01 -0.03 0.13 -0.04 1.99 2.06 3h2iA1 GLU 73 HG2 0.01 0.07 -0.23 -0.04 2.34 2.15 3h2iA1 GLU 73 HG3 0.01 0.02 0.10 -0.04 2.34 2.42 3h2iA1 ARG 74 H 0.02 0.02 -0.36 -0.55 8.46 7.60 3h2iA1 ARG 74 HA 0.02 0.17 0.78 -0.75 4.34 4.55 3h2iA1 ARG 74 HB2 0.02 0.19 0.08 -0.04 1.90 2.16 3h2iA1 ARG 74 HB3 0.02 0.04 0.21 -0.04 1.80 2.02 3h2iA1 ARG 74 HG2 0.01 0.01 -0.04 -0.04 1.67 1.61 3h2iA1 ARG 74 HG3 0.02 -0.16 -0.01 -0.04 1.67 1.48 3h2iA1 ARG 74 HD2 0.02 0.08 0.03 -0.04 3.22 3.30 3h2iA1 ARG 74 HD3 0.01 0.04 0.04 -0.04 3.22 3.27 3h2iA1 CYS 75 H 0.05 0.55 -0.42 -0.55 8.50 8.13 3h2iA1 CYS 75 HA 0.08 0.24 0.69 -0.75 4.58 4.84 3h2iA1 CYS 75 HB2 0.06 0.16 -0.38 -0.04 2.97 2.77 3h2iA1 CYS 75 HB3 0.08 -0.13 -0.39 -0.04 2.97 2.49 3h2iA1 SER 76 H 0.03 0.06 -0.06 -0.55 8.46 7.95 3h2iA1 SER 76 HA 0.03 -0.07 0.43 -0.75 4.49 4.12 3h2iA1 SER 76 HB2 -0.06 0.02 0.06 -0.04 3.95 3.93 3h2iA1 SER 76 HB3 -0.01 -0.09 0.11 -0.04 3.93 3.90 3h2iA1 GLY 77 H -0.28 -0.04 0.13 -0.55 8.43 7.69 3h2iA1 GLY 77 HA2 -1.08 0.25 0.21 -0.51 4.01 2.87 3h2iA1 GLY 77 HA3 -0.91 -0.04 0.35 -0.51 4.01 2.90 3h2iA1 PRO 78 HA -0.38 0.14 0.26 -0.51 4.44 3.95 3h2iA1 PRO 78 HB2 -0.11 0.01 -0.14 -0.04 2.28 2.00 3h2iA1 PRO 78 HB3 -0.11 0.00 -0.53 -0.04 2.02 1.34 3h2iA1 PRO 78 HG2 -0.09 0.03 -0.01 -0.04 2.03 1.93 3h2iA1 PRO 78 HG3 -0.12 -0.02 -0.08 -0.04 2.03 1.77 3h2iA1 PRO 78 HD2 -0.12 0.08 0.25 -0.04 3.68 3.85 3h2iA1 PRO 78 HD3 -0.12 0.11 0.18 -0.04 3.65 3.78 3h2iA1 TYR 79 H -0.14 0.57 0.38 -0.55 8.29 8.55 3h2iA1 TYR 79 HA -0.08 0.37 1.10 -0.75 4.56 5.20 3h2iA1 TYR 79 HB2 -0.01 -0.11 0.11 -0.04 3.06 3.01 3h2iA1 TYR 79 HB3 -0.03 0.11 0.17 -0.04 2.98 3.19 3h2iA1 TYR 79 HD2 -0.03 0.09 0.01 -0.04 7.15 7.18 3h2iA1 TYR 79 HE2 -0.01 0.03 -0.11 -0.04 6.85 6.73 3h2iA1 PRO 80 HA 0.04 0.06 0.69 -0.51 4.44 4.72 3h2iA1 PRO 80 HB2 0.07 0.00 -0.11 -0.04 2.28 2.20 3h2iA1 PRO 80 HB3 -0.03 0.09 0.05 -0.04 2.02 2.09 3h2iA1 PRO 80 HG2 -0.11 -0.14 0.05 -0.04 2.03 1.79 3h2iA1 PRO 80 HG3 -0.47 0.06 -0.02 -0.04 2.03 1.57 3h2iA1 PRO 80 HD2 -0.01 0.46 0.45 -0.04 3.68 4.54 3h2iA1 PRO 80 HD3 -0.08 0.22 0.23 -0.04 3.65 3.98 3h2iA1 LEU 81 H 0.10 0.83 0.38 -0.55 8.37 9.13 3h2iA1 LEU 81 HA 0.11 0.16 0.95 -0.75 4.35 4.83 3h2iA1 LEU 81 HB2 0.10 0.00 0.02 -0.04 1.64 1.72 3h2iA1 LEU 81 HB3 0.12 0.02 0.19 -0.04 1.64 1.93 3h2iA1 LEU 81 HG 0.11 -0.06 -0.27 -0.04 1.64 1.38 3h2iA1 LEU 81 HD13 0.08 0.00 -0.10 -0.04 0.93 0.87 3h2iA1 LEU 81 HD23 0.14 -0.01 -0.06 -0.04 0.89 0.92 3h2iA1 LEU 82 H 0.14 0.79 0.28 -0.55 8.37 9.03 3h2iA1 LEU 82 HA 0.15 0.24 1.02 -0.75 4.35 5.00 3h2iA1 LEU 82 HB2 0.23 0.02 -0.19 -0.04 1.64 1.66 3h2iA1 LEU 82 HB3 0.17 0.09 0.04 -0.04 1.64 1.90 3h2iA1 LEU 82 HG 0.21 -0.05 -0.52 -0.04 1.64 1.23 3h2iA1 LEU 82 HD13 0.15 0.02 -0.42 -0.04 0.93 0.64 3h2iA1 LEU 82 HD23 -0.01 -0.03 -0.22 -0.04 0.89 0.59 3h2iA1 GLY 83 H 0.11 0.72 0.39 -0.55 8.43 9.10 3h2iA1 GLY 83 HA2 0.14 0.19 0.84 -0.51 4.01 4.67 3h2iA1 GLY 83 HA3 0.07 -0.01 0.40 -0.51 4.01 3.96 3h2iA1 TRP 84 H 0.29 0.89 0.50 -0.55 7.97 9.10 3h2iA1 TRP 84 HA 0.06 0.36 1.14 -0.75 4.62 5.43 3h2iA1 TRP 84 HB2 0.05 0.05 -0.25 -0.04 3.23 3.04 3h2iA1 TRP 84 HB3 0.06 -0.03 -0.13 -0.04 3.23 3.09 3h2iA1 TRP 84 HD1 0.07 -0.06 -0.35 -0.04 7.22 6.84 3h2iA1 TRP 84 HE1 0.12 -0.08 -0.22 -0.04 10.20 9.97 3h2iA1 TRP 84 HE3 0.04 0.12 -0.29 -0.04 7.59 7.42 3h2iA1 TRP 84 HZ2 0.15 -0.06 -0.07 -0.04 7.44 7.42 3h2iA1 TRP 84 HZ3 0.04 0.07 -0.19 -0.04 7.13 7.01 3h2iA1 TRP 84 HH2 0.08 0.01 -0.17 -0.04 7.19 7.07 3h2iA1 GLY 85 H -0.93 0.37 0.35 -0.55 8.43 7.67 3h2iA1 GLY 85 HA2 -0.12 0.17 0.99 -0.51 4.01 4.54 3h2iA1 GLY 85 HA3 -0.25 0.03 0.41 -0.51 4.01 3.68 3h2iA1 HIS 86 H -0.30 0.24 0.13 -0.55 8.41 7.93 3h2iA1 HIS 86 HA 0.24 0.03 0.52 -0.75 4.63 4.66 3h2iA1 HIS 86 HB2 0.15 -0.01 0.10 -0.04 3.26 3.46 3h2iA1 HIS 86 HB3 0.14 -0.04 0.04 -0.04 3.20 3.31 3h2iA1 HIS 86 HD2 -0.34 0.05 0.03 -0.04 6.97 6.67 3h2iA1 HIS 86 HE1 -0.13 -0.03 -0.05 -0.04 7.75 7.50 3h2iA1 PRO 87 HA 0.04 -0.12 0.72 -0.51 4.44 4.58 3h2iA1 PRO 87 HB2 0.01 -0.03 0.15 -0.04 2.28 2.37 3h2iA1 PRO 87 HB3 -0.26 0.08 0.09 -0.04 2.02 1.88 3h2iA1 PRO 87 HG2 0.21 0.10 -0.02 -0.04 2.03 2.28 3h2iA1 PRO 87 HG3 0.41 0.02 0.05 -0.04 2.03 2.46 3h2iA1 PRO 87 HD2 0.37 0.09 0.19 -0.04 3.68 4.30 3h2iA1 PRO 87 HD3 0.47 0.11 0.20 -0.04 3.65 4.39 3h2iA1 THR 88 H 0.12 -0.06 0.20 -0.55 8.28 8.00 3h2iA1 THR 88 HA 0.32 0.08 0.36 -0.75 4.39 4.39 3h2iA1 THR 88 HB 0.12 -0.05 0.12 -0.04 4.32 4.46 3h2iA1 THR 88 HG23 0.00 0.02 -0.14 -0.04 1.22 1.06 3h2iA1 GLU 89 H 0.23 0.25 0.14 -0.55 8.60 8.67 3h2iA1 GLU 89 HA 0.10 -0.01 0.96 -0.75 4.29 4.59 3h2iA1 GLU 89 HB2 0.01 0.09 -0.08 -0.04 2.09 2.07 3h2iA1 GLU 89 HB3 0.11 0.10 0.11 -0.04 1.99 2.27 3h2iA1 GLU 89 HG2 -0.11 0.08 -0.03 -0.04 2.34 2.25 3h2iA1 GLU 89 HG3 0.01 0.08 -0.26 -0.04 2.34 2.13 3h2iA1 ALA 90 H 0.08 -0.05 0.18 -0.55 8.40 8.06 3h2iA1 ALA 90 HA 0.03 0.23 0.81 -0.75 4.34 4.66 3h2iA1 ALA 90 HB3 -0.03 0.00 0.09 -0.04 1.41 1.43 3h2iA1 LEU 91 H 0.01 -0.12 0.02 -0.55 8.37 7.73 3h2iA1 LEU 91 HA -0.03 0.30 0.50 -0.75 4.35 4.36 3h2iA1 LEU 91 HB2 -0.02 -0.12 -0.10 -0.04 1.64 1.36 3h2iA1 LEU 91 HB3 -0.02 -0.06 0.13 -0.04 1.64 1.65 3h2iA1 LEU 91 HG -0.02 -0.13 -0.18 -0.04 1.64 1.28 3h2iA1 LEU 91 HD13 -0.03 0.09 -0.16 -0.04 0.93 0.79 3h2iA1 LEU 91 HD23 -0.02 -0.01 -0.06 -0.04 0.89 0.76 3h2iA1 ARG 92 H -0.01 0.50 0.35 -0.55 8.46 8.74 3h2iA1 ARG 92 HA 0.04 0.11 0.32 -0.75 4.34 4.05 3h2iA1 ARG 92 HB2 0.03 0.03 -0.03 -0.04 1.90 1.90 3h2iA1 ARG 92 HB3 0.01 -0.06 0.05 -0.04 1.80 1.76 3h2iA1 ARG 92 HG2 0.02 -0.05 -0.32 -0.04 1.67 1.28 3h2iA1 ARG 92 HG3 0.06 0.33 0.06 -0.04 1.67 2.07 3h2iA1 ARG 92 HD2 0.02 -0.09 -0.09 -0.04 3.22 3.02 3h2iA1 ARG 92 HD3 0.02 -0.01 -0.12 -0.04 3.22 3.07 3h2iA1 ALA 93 H -0.01 0.08 -0.21 -0.55 8.40 7.71 3h2iA1 ALA 93 HA -0.01 0.29 0.49 -0.75 4.34 4.36 3h2iA1 ALA 93 HB3 -0.01 -0.01 0.02 -0.04 1.41 1.37 3h2iA1 GLN 94 H -0.02 0.42 -0.40 -0.55 8.47 7.92 3h2iA1 GLN 94 HA -0.04 -0.03 0.35 -0.75 4.36 3.89 3h2iA1 GLN 94 HB2 -0.04 -0.06 0.08 -0.04 2.15 2.09 3h2iA1 GLN 94 HB3 -0.07 0.11 0.09 -0.04 2.02 2.11 3h2iA1 GLN 94 HG2 -0.08 -0.05 -0.06 -0.04 2.40 2.17 3h2iA1 GLN 94 HG3 -0.11 -0.05 -0.35 -0.04 2.39 1.84 3h2iA1 GLN 94 HE21 -0.03 0.03 -0.06 -0.04 6.97 6.88 3h2iA1 GLN 94 HE22 -0.05 -0.04 -0.24 -0.04 7.69 7.32 3h2iA1 GLU 95 H -0.04 0.19 0.17 -0.55 8.60 8.37 3h2iA1 GLU 95 HA -0.07 0.17 0.88 -0.75 4.29 4.51 3h2iA1 GLU 95 HB2 -0.03 -0.03 0.16 -0.04 2.09 2.15 3h2iA1 GLU 95 HB3 -0.04 -0.10 0.03 -0.04 1.99 1.84 3h2iA1 GLU 95 HG2 -0.04 -0.09 -0.02 -0.04 2.34 2.15 3h2iA1 GLU 95 HG3 -0.03 0.33 -0.14 -0.04 2.34 2.46 3h2iA1 GLN 96 H -0.09 0.27 0.05 -0.55 8.47 8.15 3h2iA1 GLN 96 HA -0.06 0.08 0.31 -0.75 4.36 3.94 3h2iA1 GLN 96 HB2 -0.01 -0.01 0.03 -0.04 2.15 2.11 3h2iA1 GLN 96 HB3 0.00 0.02 -0.07 -0.04 2.02 1.93 3h2iA1 GLN 96 HG2 -0.11 0.00 -0.03 -0.04 2.40 2.22 3h2iA1 GLN 96 HG3 -0.18 0.04 0.00 -0.04 2.39 2.21 3h2iA1 GLN 96 HE21 0.48 0.04 -0.13 -0.04 6.97 7.32 3h2iA1 GLN 96 HE22 0.23 -0.04 -0.08 -0.04 7.69 7.76 3h2iA1 ALA 97 H -0.03 0.13 -0.18 -0.55 8.40 7.77 3h2iA1 ALA 97 HA 0.01 0.08 0.34 -0.75 4.34 4.02 3h2iA1 ALA 97 HB3 -0.01 0.04 0.02 -0.04 1.41 1.42 3h2iA1 LYS 98 H -0.01 0.11 -0.27 -0.55 8.42 7.69 3h2iA1 LYS 98 HA 0.01 0.10 0.46 -0.75 4.32 4.14 3h2iA1 LYS 98 HB2 -0.01 0.02 0.08 -0.04 1.87 1.92 3h2iA1 LYS 98 HB3 -0.00 0.04 0.00 -0.04 1.79 1.80 3h2iA1 LYS 98 HG2 0.01 0.05 -0.03 -0.04 1.46 1.44 3h2iA1 LYS 98 HG3 -0.01 -0.08 -0.03 -0.04 1.46 1.30 3h2iA1 LYS 98 HD2 -0.01 0.01 -0.01 -0.04 1.69 1.64 3h2iA1 LYS 98 HD3 -0.00 0.03 -0.02 -0.04 1.68 1.65 3h2iA1 LYS 98 HE2 0.00 0.04 -0.04 -0.04 2.99 2.96 3h2iA1 LYS 98 HE3 0.01 0.03 -0.04 -0.04 2.99 2.95 3h2iA1 GLU 99 H -0.02 0.40 -0.25 -0.55 8.60 8.18 3h2iA1 GLU 99 HA -0.01 0.05 0.37 -0.75 4.29 3.95 3h2iA1 GLU 99 HB2 -0.03 -0.02 0.02 -0.04 2.09 2.02 3h2iA1 GLU 99 HB3 -0.02 0.10 0.16 -0.04 1.99 2.18 3h2iA1 GLU 99 HG2 -0.02 -0.06 -0.07 -0.04 2.34 2.15 3h2iA1 GLU 99 HG3 -0.01 0.02 -0.27 -0.04 2.34 2.03 3h2iA1 ILE 100 H 0.00 0.65 -0.10 -0.55 8.25 8.25 3h2iA1 ILE 100 HA -0.01 0.03 0.22 -0.75 4.18 3.66 3h2iA1 ILE 100 HB 0.04 0.14 0.06 -0.04 1.89 2.09 3h2iA1 ILE 100 HG12 -0.03 -0.07 -0.09 -0.04 1.49 1.26 3h2iA1 ILE 100 HG13 -0.01 0.13 -0.02 -0.04 1.21 1.27 3h2iA1 ILE 100 HG23 0.07 -0.01 -0.25 -0.04 0.93 0.70 3h2iA1 ILE 100 HD13 -0.02 -0.02 -0.14 -0.04 0.88 0.66 3h2iA1 ARG 101 H 0.05 0.48 -0.22 -0.55 8.46 8.22 3h2iA1 ARG 101 HA 0.18 -0.00 0.37 -0.75 4.34 4.13 3h2iA1 ARG 101 HB2 0.06 -0.02 0.04 -0.04 1.90 1.94 3h2iA1 ARG 101 HB3 0.04 0.06 0.15 -0.04 1.80 2.00 3h2iA1 ARG 101 HG2 0.06 -0.04 -0.08 -0.04 1.67 1.57 3h2iA1 ARG 101 HG3 0.03 0.03 -0.09 -0.04 1.67 1.60 3h2iA1 ARG 101 HD2 0.03 0.07 -0.19 -0.04 3.22 3.08 3h2iA1 ARG 101 HD3 0.03 -0.00 -0.10 -0.04 3.22 3.10 3h2iA1 ASP 102 H 0.03 0.66 -0.20 -0.55 8.40 8.35 3h2iA1 ASP 102 HA 0.03 0.02 0.40 -0.75 4.63 4.32 3h2iA1 ASP 102 HB2 0.01 0.09 0.17 -0.04 2.71 2.93 3h2iA1 ASP 102 HB3 0.01 -0.07 0.08 -0.04 2.70 2.68 3h2iA1 ALA 103 H 0.02 0.28 -0.77 -0.55 8.40 7.39 3h2iA1 ALA 103 HA -0.01 0.16 0.78 -0.75 4.34 4.52 3h2iA1 ALA 103 HB3 -0.02 -0.01 0.02 -0.04 1.41 1.35 3h2iA1 LYS 104 H 0.04 0.50 -0.30 -0.55 8.42 8.10 3h2iA1 LYS 104 HA 0.11 0.08 0.33 -0.75 4.32 4.08 3h2iA1 LYS 104 HB2 -0.05 0.13 0.09 -0.04 1.87 2.00 3h2iA1 LYS 104 HB3 0.00 -0.04 0.18 -0.04 1.79 1.89 3h2iA1 LYS 104 HG2 0.03 0.02 -0.03 -0.04 1.46 1.44 3h2iA1 LYS 104 HG3 0.01 0.00 -0.38 -0.04 1.46 1.05 3h2iA1 LYS 104 HD2 -0.01 0.01 -0.05 -0.04 1.69 1.60 3h2iA1 LYS 104 HD3 0.01 -0.03 -0.01 -0.04 1.68 1.61 3h2iA1 LYS 104 HE2 0.00 0.02 -0.04 -0.04 2.99 2.92 3h2iA1 LYS 104 HE3 0.00 -0.03 -0.02 -0.04 2.99 2.91 3h2iA1 GLY 105 H -0.03 0.54 -0.24 -0.55 8.43 8.16 3h2iA1 GLY 105 HA2 -0.23 -0.07 0.15 -0.51 4.01 3.35 3h2iA1 GLY 105 HA3 -1.32 0.07 0.33 -0.51 4.01 2.58 3h2iA1 ASP 106 H -0.15 0.56 -0.64 -0.55 8.40 7.62 3h2iA1 ASP 106 HA -0.14 0.05 0.42 -0.75 4.63 4.20 3h2iA1 ASP 106 HB2 -0.10 0.08 0.08 -0.04 2.71 2.72 3h2iA1 ASP 106 HB3 -0.07 0.04 0.21 -0.04 2.70 2.84 3h2iA1 ASP 107 H -0.13 0.57 0.21 -0.55 8.40 8.51 3h2iA1 ASP 107 HA -0.08 0.24 0.75 -0.75 4.63 4.79 3h2iA1 ASP 107 HB2 -0.07 0.11 -0.27 -0.04 2.71 2.44 3h2iA1 ASP 107 HB3 -0.10 -0.06 -0.05 -0.04 2.70 2.46 3h2iA1 PRO 108 HA -0.11 0.08 0.36 -0.51 4.44 4.26 3h2iA1 PRO 108 HB2 -0.18 0.07 -0.10 -0.04 2.28 2.03 3h2iA1 PRO 108 HB3 -0.11 0.10 0.06 -0.04 2.02 2.03 3h2iA1 PRO 108 HG2 -0.16 -0.01 0.01 -0.04 2.03 1.83 3h2iA1 PRO 108 HG3 -0.10 0.03 0.01 -0.04 2.03 1.93 3h2iA1 PRO 108 HD2 -0.09 0.14 0.20 -0.04 3.68 3.89 3h2iA1 PRO 108 HD3 -0.08 0.22 0.08 -0.04 3.65 3.83 3h2iA1 LEU 109 H -0.24 0.09 -0.42 -0.55 8.37 7.25 3h2iA1 LEU 109 HA -0.36 0.11 0.32 -0.75 4.35 3.67 3h2iA1 LEU 109 HB2 -0.23 -0.02 -0.06 -0.04 1.64 1.29 3h2iA1 LEU 109 HB3 -0.28 0.07 -0.08 -0.04 1.64 1.31 3h2iA1 LEU 109 HG -0.58 -0.07 -0.09 -0.04 1.64 0.87 3h2iA1 LEU 109 HD13 -0.48 0.01 -0.14 -0.04 0.93 0.28 3h2iA1 LEU 109 HD23 -1.51 0.02 -0.15 -0.04 0.89 -0.79 3h2iA1 VAL 110 H -0.13 0.31 -0.21 -0.55 8.24 7.66 3h2iA1 VAL 110 HA -0.04 0.07 0.59 -0.75 4.13 3.99 3h2iA1 VAL 110 HB -0.12 0.16 0.25 -0.04 2.12 2.37 3h2iA1 VAL 110 HG13 -0.06 0.00 -0.15 -0.04 0.97 0.72 3h2iA1 VAL 110 HG23 -0.01 -0.04 -0.06 -0.04 0.95 0.79 3h2iA1 THR 111 H -0.10 0.52 0.09 -0.55 8.28 8.24 3h2iA1 THR 111 HA -0.06 0.09 0.32 -0.75 4.39 3.99 3h2iA1 THR 111 HB -0.06 0.08 -0.09 -0.04 4.32 4.21 3h2iA1 THR 111 HG23 -0.10 0.01 -0.05 -0.04 1.22 1.04 3h2iA1 ARG 112 H -0.10 0.41 -0.17 -0.55 8.46 8.05 3h2iA1 ARG 112 HA -0.04 0.26 0.82 -0.75 4.34 4.62 3h2iA1 ARG 112 HB2 -0.12 0.08 -0.02 -0.04 1.90 1.80 3h2iA1 ARG 112 HB3 -0.07 0.00 -0.07 -0.04 1.80 1.62 3h2iA1 ARG 112 HG2 -0.08 -0.15 -0.09 -0.04 1.67 1.31 3h2iA1 ARG 112 HG3 -0.07 -0.07 -0.04 -0.04 1.67 1.45 3h2iA1 ARG 112 HD2 -0.04 0.02 -0.07 -0.04 3.22 3.10 3h2iA1 ARG 112 HD3 -0.04 0.12 -0.31 -0.04 3.22 2.95 3h2iA1 LEU 113 H -0.10 0.13 -0.25 -0.55 8.37 7.61 3h2iA1 LEU 113 HA -0.06 0.31 1.01 -0.75 4.35 4.85 3h2iA1 LEU 113 HB2 -0.16 0.04 0.15 -0.04 1.64 1.62 3h2iA1 LEU 113 HB3 -0.16 0.04 -0.11 -0.04 1.64 1.37 3h2iA1 LEU 113 HG -0.19 -0.07 -0.44 -0.04 1.64 0.89 3h2iA1 LEU 113 HD13 -0.27 -0.04 -0.16 -0.04 0.93 0.42 3h2iA1 LEU 113 HD23 -0.44 0.04 -0.14 -0.04 0.89 0.32 3h2iA1 ALA 114 H -0.04 0.62 0.27 -0.55 8.40 8.70 3h2iA1 ALA 114 HA 0.04 0.47 0.51 -0.75 4.34 4.60 3h2iA1 ALA 114 HB3 -0.01 -0.04 0.08 -0.04 1.41 1.40 3h2iA1 SER 115 H -0.00 0.32 -0.35 -0.55 8.46 7.89 3h2iA1 SER 115 HA 0.01 0.11 0.35 -0.75 4.49 4.20 3h2iA1 SER 115 HB2 0.01 -0.18 0.16 -0.04 3.95 3.90 3h2iA1 SER 115 HB3 -0.00 0.11 0.05 -0.04 3.93 4.05 3h2iA1 GLN 116 H 0.09 0.60 -0.79 -0.55 8.47 7.82 3h2iA1 GLN 116 HA 0.06 0.12 0.90 -0.75 4.36 4.69 3h2iA1 GLN 116 HB2 0.24 0.10 0.03 -0.04 2.15 2.47 3h2iA1 GLN 116 HB3 0.17 -0.02 0.14 -0.04 2.02 2.27 3h2iA1 GLN 116 HG2 0.04 -0.09 -0.43 -0.04 2.40 1.88 3h2iA1 GLN 116 HG3 0.06 0.02 -0.04 -0.04 2.39 2.39 3h2iA1 GLN 116 HE21 0.02 0.27 -0.05 -0.04 6.97 7.17 3h2iA1 GLN 116 HE22 0.02 0.01 -0.23 -0.04 7.69 7.44 3h2iA1 GLY 117 H 0.03 0.36 -0.15 -0.55 8.43 8.12 3h2iA1 GLY 117 HA2 -0.04 0.01 0.24 -0.51 4.01 3.71 3h2iA1 GLY 117 HA3 0.00 0.20 0.68 -0.51 4.01 4.38 3h2iA1 TYR 118 H 0.19 0.22 -0.08 -0.55 8.29 8.07 3h2iA1 TYR 118 HA 0.04 0.27 0.86 -0.75 4.56 4.98 3h2iA1 TYR 118 HB2 -0.01 -0.15 -0.30 -0.04 3.06 2.55 3h2iA1 TYR 118 HB3 0.02 0.00 -0.26 -0.04 2.98 2.70 3h2iA1 TYR 118 HD2 0.03 0.05 -0.22 -0.04 7.15 6.97 3h2iA1 TYR 118 HE2 0.04 0.02 -0.16 -0.04 6.85 6.71 3h2iA1 VAL 119 H 0.08 0.56 0.26 -0.55 8.24 8.59 3h2iA1 VAL 119 HA -0.02 0.25 0.77 -0.75 4.13 4.37 3h2iA1 VAL 119 HB 0.08 0.02 0.21 -0.04 2.12 2.39 3h2iA1 VAL 119 HG13 0.04 -0.02 -0.16 -0.04 0.97 0.79 3h2iA1 VAL 119 HG23 0.01 0.01 0.02 -0.04 0.95 0.95 3h2iA1 VAL 120 H 0.03 0.39 0.34 -0.55 8.24 8.46 3h2iA1 VAL 120 HA 0.10 0.34 1.08 -0.75 4.13 4.90 3h2iA1 VAL 120 HB -0.00 -0.14 0.10 -0.04 2.12 2.03 3h2iA1 VAL 120 HG13 -0.02 -0.03 -0.20 -0.04 0.97 0.69 3h2iA1 VAL 120 HG23 -0.02 0.07 -0.13 -0.04 0.95 0.83 3h2iA1 VAL 121 H 0.15 0.90 0.36 -0.55 8.24 9.09 3h2iA1 VAL 121 HA 0.17 0.32 1.13 -0.75 4.13 5.00 3h2iA1 VAL 121 HB 0.12 -0.02 0.05 -0.04 2.12 2.23 3h2iA1 VAL 121 HG13 0.20 -0.01 -0.30 -0.04 0.97 0.82 3h2iA1 VAL 121 HG23 0.07 0.01 -0.21 -0.04 0.95 0.78 3h2iA1 GLY 122 H 0.19 0.55 0.31 -0.55 8.43 8.93 3h2iA1 GLY 122 HA2 0.23 0.29 1.14 -0.51 4.01 5.16 3h2iA1 GLY 122 HA3 0.27 -0.06 0.34 -0.51 4.01 4.05 3h2iA1 SER 123 H 0.15 0.26 0.24 -0.55 8.46 8.57 3h2iA1 SER 123 HA 0.13 0.18 0.92 -0.75 4.49 4.96 3h2iA1 SER 123 HB2 0.26 0.17 -0.03 -0.04 3.95 4.31 3h2iA1 SER 123 HB3 0.26 0.01 0.01 -0.04 3.93 4.17 3h2iA1 ASP 124 H 0.05 0.76 0.40 -0.55 8.40 9.06 3h2iA1 ASP 124 HA 0.04 0.01 0.53 -0.75 4.63 4.45 3h2iA1 ASP 124 HB2 -0.00 0.02 0.10 -0.04 2.71 2.79 3h2iA1 ASP 124 HB3 -0.01 0.10 -0.04 -0.04 2.70 2.72 3h2iA1 TYR 125 H 0.21 -0.06 -0.28 -0.55 8.29 7.61 3h2iA1 TYR 125 HA 0.08 -0.02 0.25 -0.75 4.56 4.11 3h2iA1 TYR 125 HB2 0.10 0.31 0.39 -0.04 3.06 3.82 3h2iA1 TYR 125 HB3 0.26 -0.01 0.06 -0.04 2.98 3.26 3h2iA1 TYR 125 HD2 -0.00 -0.03 -0.11 -0.04 7.15 6.96 3h2iA1 TYR 125 HE2 -0.21 -0.01 -0.07 -0.04 6.85 6.52 3h2iA1 LEU 126 H 0.12 0.11 0.11 -0.55 8.37 8.16 3h2iA1 LEU 126 HA -0.03 0.03 0.51 -0.75 4.35 4.11 3h2iA1 LEU 126 HB2 -0.20 -0.02 0.16 -0.04 1.64 1.54 3h2iA1 LEU 126 HB3 -0.51 0.05 0.09 -0.04 1.64 1.23 3h2iA1 LEU 126 HG -0.16 -0.05 0.09 -0.04 1.64 1.49 3h2iA1 LEU 126 HD13 -0.59 0.05 0.09 -0.04 0.93 0.44 3h2iA1 LEU 126 HD23 -0.33 0.03 -0.04 -0.04 0.89 0.51 3h2iA1 GLY 127 H 0.08 -0.04 0.20 -0.55 8.43 8.13 3h2iA1 GLY 127 HA2 0.12 0.19 0.18 -0.51 4.01 3.99 3h2iA1 GLY 127 HA3 0.18 0.16 0.07 -0.51 4.01 3.91 3h2iA1 LEU 128 H 0.10 0.26 -0.31 -0.55 8.37 7.87 3h2iA1 LEU 128 HA 0.05 0.39 0.93 -0.75 4.35 4.96 3h2iA1 LEU 128 HB2 0.07 0.13 -0.14 -0.04 1.64 1.67 3h2iA1 LEU 128 HB3 0.00 -0.04 0.08 -0.04 1.64 1.64 3h2iA1 LEU 128 HG 0.03 0.00 -0.44 -0.04 1.64 1.20 3h2iA1 LEU 128 HD13 -0.10 -0.00 -0.01 -0.04 0.93 0.78 3h2iA1 LEU 128 HD23 0.07 0.07 -0.16 -0.04 0.89 0.84 3h2iA1 GLY 129 H -0.01 0.35 0.06 -0.55 8.43 8.28 3h2iA1 GLY 129 HA2 -0.03 0.09 -0.03 -0.51 4.01 3.54 3h2iA1 GLY 129 HA3 -0.03 -0.20 0.41 -0.51 4.01 3.68 3h2iA1 LYS 130 H -0.04 -0.03 0.17 -0.55 8.42 7.97 3h2iA1 LYS 130 HA -0.01 0.26 0.64 -0.75 4.32 4.45 3h2iA1 LYS 130 HB2 -0.04 -0.08 0.02 -0.04 1.87 1.72 3h2iA1 LYS 130 HB3 -0.02 0.03 0.10 -0.04 1.79 1.86 3h2iA1 LYS 130 HG2 -0.01 0.09 -0.09 -0.04 1.46 1.41 3h2iA1 LYS 130 HG3 -0.03 -0.11 -0.05 -0.04 1.46 1.23 3h2iA1 LYS 130 HD2 -0.02 -0.04 -0.06 -0.04 1.69 1.53 3h2iA1 LYS 130 HD3 -0.01 0.04 -0.05 -0.04 1.68 1.62 3h2iA1 LYS 130 HE2 -0.00 0.04 -0.06 -0.04 2.99 2.93 3h2iA1 LYS 130 HE3 -0.01 -0.06 -0.06 -0.04 2.99 2.81 3h2iA1 SER 131 H -0.01 0.54 -0.38 -0.55 8.46 8.06 3h2iA1 SER 131 HA -0.05 -0.02 0.17 -0.75 4.49 3.84 3h2iA1 SER 131 HB2 -0.01 0.04 0.23 -0.04 3.95 4.16 3h2iA1 SER 131 HB3 0.04 0.06 0.07 -0.04 3.93 4.06 3h2iA1 ASN 132 H 0.01 0.07 0.13 -0.55 8.53 8.20 3h2iA1 ASN 132 HA 0.02 0.30 0.76 -0.75 4.76 5.08 3h2iA1 ASN 132 HB2 0.01 0.03 0.15 -0.04 2.88 3.02 3h2iA1 ASN 132 HB3 0.00 0.05 0.01 -0.04 2.79 2.81 3h2iA1 ASN 132 HD21 0.02 -0.01 -0.05 -0.04 7.03 6.96 3h2iA1 ASN 132 HD22 0.01 0.05 -0.01 -0.04 7.74 7.75 3h2iA1 TYR 133 H 0.13 -0.06 -0.16 -0.55 8.29 7.64 3h2iA1 TYR 133 HA -0.07 0.10 0.64 -0.75 4.56 4.47 3h2iA1 TYR 133 HB2 -0.09 -0.14 0.20 -0.04 3.06 2.98 3h2iA1 TYR 133 HB3 -0.15 0.23 0.02 -0.04 2.98 3.04 3h2iA1 TYR 133 HD2 -0.40 0.19 0.00 -0.04 7.15 6.91 3h2iA1 TYR 133 HE2 -0.38 0.05 0.00 -0.04 6.85 6.49 3h2iA1 ALA 134 H -0.48 0.08 0.18 -0.55 8.40 7.63 3h2iA1 ALA 134 HA -0.04 0.12 0.35 -0.75 4.34 4.01 3h2iA1 ALA 134 HB3 -0.07 -0.00 0.10 -0.04 1.41 1.39 3h2iA1 TYR 135 H -0.24 0.07 -0.20 -0.55 8.29 7.37 3h2iA1 TYR 135 HA 0.06 0.26 0.66 -0.75 4.56 4.79 3h2iA1 TYR 135 HB2 -0.01 0.05 0.14 -0.04 3.06 3.21 3h2iA1 TYR 135 HB3 -0.40 0.09 -0.16 -0.04 2.98 2.46 3h2iA1 TYR 135 HD2 -0.05 0.03 -0.32 -0.04 7.15 6.77 3h2iA1 TYR 135 HE2 -0.06 -0.01 -0.13 -0.04 6.85 6.60 3h2iA1 HIS 136 H 0.48 0.27 0.16 -0.55 8.41 8.77 3h2iA1 HIS 136 HA 0.07 0.34 0.85 -0.75 4.63 5.13 3h2iA1 HIS 136 HB2 0.24 0.12 -0.07 -0.04 3.26 3.51 3h2iA1 HIS 136 HB3 0.40 -0.04 0.09 -0.04 3.20 3.61 3h2iA1 HIS 136 HD2 0.04 -0.05 -0.11 -0.04 6.97 6.81 3h2iA1 HIS 136 HE1 -0.01 -0.07 -0.13 -0.04 7.75 7.49 3h2iA1 PRO 137 HA 0.12 0.17 0.45 -0.51 4.44 4.67 3h2iA1 PRO 137 HB2 -0.17 -0.09 0.18 -0.04 2.28 2.16 3h2iA1 PRO 137 HB3 -0.21 0.06 0.06 -0.04 2.02 1.88 3h2iA1 PRO 137 HG2 -0.33 -0.05 0.05 -0.04 2.03 1.66 3h2iA1 PRO 137 HG3 -0.27 0.08 -0.07 -0.04 2.03 1.72 3h2iA1 PRO 137 HD2 -0.21 0.03 0.11 -0.04 3.68 3.57 3h2iA1 PRO 137 HD3 -0.19 0.35 0.09 -0.04 3.65 3.87 3h2iA1 TYR 138 H 0.02 0.49 0.09 -0.55 8.29 8.33 3h2iA1 TYR 138 HA -0.35 -0.05 0.31 -0.75 4.56 3.72 3h2iA1 TYR 138 HB2 -0.46 0.11 0.02 -0.04 3.06 2.69 3h2iA1 TYR 138 HB3 -0.17 0.06 0.01 -0.04 2.98 2.84 3h2iA1 TYR 138 HD2 -0.05 0.03 -0.16 -0.04 7.15 6.92 3h2iA1 TYR 138 HE2 0.03 -0.02 0.01 -0.04 6.85 6.83 3h2iA1 LEU 139 H -0.39 0.07 0.11 -0.55 8.37 7.61 3h2iA1 LEU 139 HA -0.47 -0.04 0.25 -0.75 4.35 3.34 3h2iA1 LEU 139 HB2 -0.36 0.19 -0.16 -0.04 1.64 1.27 3h2iA1 LEU 139 HB3 -0.55 0.05 0.17 -0.04 1.64 1.26 3h2iA1 LEU 139 HG -1.70 -0.11 -0.13 -0.04 1.64 -0.34 3h2iA1 LEU 139 HD13 -0.25 0.01 -0.07 -0.04 0.93 0.58 3h2iA1 LEU 139 HD23 -0.60 -0.01 0.04 -0.04 0.89 0.28 3h2iA1 HIS 140 H -0.05 0.33 -0.37 -0.55 8.41 7.78 3h2iA1 HIS 140 HA 0.02 0.20 0.72 -0.75 4.63 4.82 3h2iA1 HIS 140 HB2 -0.03 0.10 -0.16 -0.04 3.26 3.14 3h2iA1 HIS 140 HB3 -0.11 0.04 0.11 -0.04 3.20 3.19 3h2iA1 HIS 140 HD2 0.07 0.11 -0.02 -0.04 6.97 7.08 3h2iA1 HIS 140 HE1 -0.06 0.09 0.01 -0.04 7.75 7.74 3h2iA1 SER 141 H -0.04 0.37 0.06 -0.55 8.46 8.30 3h2iA1 SER 141 HA -0.11 -0.00 0.23 -0.75 4.49 3.85 3h2iA1 SER 141 HB2 -0.19 0.02 0.14 -0.04 3.95 3.88 3h2iA1 SER 141 HB3 -0.22 0.02 -0.01 -0.04 3.93 3.68 3h2iA1 ALA 142 H -0.50 0.19 -0.10 -0.55 8.40 7.44 3h2iA1 ALA 142 HA -0.15 0.10 0.35 -0.75 4.34 3.89 3h2iA1 ALA 142 HB3 -0.17 0.04 0.05 -0.04 1.41 1.29 3h2iA1 SER 143 H 0.17 0.19 -0.18 -0.55 8.46 8.09 3h2iA1 SER 143 HA -0.01 0.10 0.56 -0.75 4.49 4.39 3h2iA1 SER 143 HB2 -0.11 -0.03 0.06 -0.04 3.95 3.82 3h2iA1 SER 143 HB3 0.01 0.02 -0.02 -0.04 3.93 3.90 3h2iA1 GLU 144 H -0.08 0.53 -0.17 -0.55 8.60 8.33 3h2iA1 GLU 144 HA -0.29 -0.01 0.46 -0.75 4.29 3.70 3h2iA1 GLU 144 HB2 -0.13 0.16 0.04 -0.04 2.09 2.12 3h2iA1 GLU 144 HB3 -0.21 -0.08 -0.05 -0.04 1.99 1.61 3h2iA1 GLU 144 HG2 -0.53 -0.04 -0.03 -0.04 2.34 1.70 3h2iA1 GLU 144 HG3 -0.18 0.17 -0.03 -0.04 2.34 2.26 3h2iA1 ALA 145 H -0.11 0.58 -0.20 -0.55 8.40 8.13 3h2iA1 ALA 145 HA -0.09 0.03 0.38 -0.75 4.34 3.91 3h2iA1 ALA 145 HB3 -0.11 0.03 -0.08 -0.04 1.41 1.21 3h2iA1 SER 146 H -0.04 0.67 0.04 -0.55 8.46 8.58 3h2iA1 SER 146 HA 0.00 0.04 0.39 -0.75 4.49 4.17 3h2iA1 SER 146 HB2 0.02 -0.07 0.03 -0.04 3.95 3.89 3h2iA1 SER 146 HB3 -0.01 0.09 0.10 -0.04 3.93 4.08 3h2iA1 ALA 147 H 0.01 0.55 -0.23 -0.55 8.40 8.19 3h2iA1 ALA 147 HA 0.20 0.01 0.35 -0.75 4.34 4.14 3h2iA1 ALA 147 HB3 0.12 0.00 0.09 -0.04 1.41 1.59 3h2iA1 THR 148 H 0.05 0.43 -0.32 -0.55 8.28 7.89 3h2iA1 THR 148 HA 0.11 -0.06 0.43 -0.75 4.39 4.11 3h2iA1 THR 148 HB -0.03 0.12 0.14 -0.04 4.32 4.51 3h2iA1 THR 148 HG23 -0.00 -0.01 -0.13 -0.04 1.22 1.03 3h2iA1 ILE 149 H -0.03 0.78 -0.04 -0.55 8.25 8.41 3h2iA1 ILE 149 HA -0.26 0.04 0.35 -0.75 4.18 3.56 3h2iA1 ILE 149 HB 0.01 0.04 0.14 -0.04 1.89 2.04 3h2iA1 ILE 149 HG12 -0.09 0.47 0.07 -0.04 1.49 1.90 3h2iA1 ILE 149 HG13 -0.04 -0.05 -0.11 -0.04 1.21 0.96 3h2iA1 ILE 149 HG23 0.06 -0.01 -0.18 -0.04 0.93 0.77 3h2iA1 ILE 149 HD13 -0.28 -0.01 -0.04 -0.04 0.88 0.51 3h2iA1 ASP 150 H 0.07 0.70 -0.08 -0.55 8.40 8.55 3h2iA1 ASP 150 HA 0.07 0.04 0.37 -0.75 4.63 4.36 3h2iA1 ASP 150 HB2 0.32 0.08 0.08 -0.04 2.71 3.14 3h2iA1 ASP 150 HB3 0.31 0.00 0.08 -0.04 2.70 3.06 3h2iA1 ALA 151 H -0.05 0.35 -0.59 -0.55 8.40 7.57 3h2iA1 ALA 151 HA -0.93 0.00 0.34 -0.75 4.34 2.99 3h2iA1 ALA 151 HB3 0.09 0.04 -0.03 -0.04 1.41 1.47 3h2iA1 MET 152 H -0.03 0.53 -0.13 -0.55 8.47 8.30 3h2iA1 MET 152 HA 0.02 -0.02 0.39 -0.75 4.52 4.16 3h2iA1 MET 152 HB2 0.04 0.18 0.12 -0.04 2.15 2.45 3h2iA1 MET 152 HB3 0.17 -0.01 -0.02 -0.04 2.03 2.14 3h2iA1 MET 152 HG2 0.05 -0.08 -0.03 -0.04 2.63 2.54 3h2iA1 MET 152 HG3 -0.01 0.22 0.08 -0.04 2.56 2.80 3h2iA1 MET 152 HE3 0.09 0.01 -0.12 -0.04 2.10 2.04 3h2iA1 ARG 153 H 0.05 0.41 -0.25 -0.55 8.46 8.12 3h2iA1 ARG 153 HA 0.07 0.05 0.40 -0.75 4.34 4.10 3h2iA1 ARG 153 HB2 0.04 0.02 0.17 -0.04 1.90 2.09 3h2iA1 ARG 153 HB3 0.04 0.04 0.00 -0.04 1.80 1.84 3h2iA1 ARG 153 HG2 0.09 -0.00 -0.02 -0.04 1.67 1.70 3h2iA1 ARG 153 HG3 0.37 0.08 -0.05 -0.04 1.67 2.03 3h2iA1 ARG 153 HD2 0.13 -0.10 -0.21 -0.04 3.22 3.00 3h2iA1 ARG 153 HD3 0.08 0.12 -0.10 -0.04 3.22 3.28 3h2iA1 ALA 154 H -0.16 0.48 -0.16 -0.55 8.40 8.02 3h2iA1 ALA 154 HA -0.09 0.09 0.45 -0.75 4.34 4.03 3h2iA1 ALA 154 HB3 -0.13 -0.00 -0.03 -0.04 1.41 1.21 3h2iA1 ALA 155 H -0.32 0.62 -0.25 -0.55 8.40 7.91 3h2iA1 ALA 155 HA -0.66 -0.05 0.32 -0.75 4.34 3.19 3h2iA1 ALA 155 HB3 -0.16 0.03 0.03 -0.04 1.41 1.27 3h2iA1 ARG 156 H -0.08 0.65 -0.27 -0.55 8.46 8.21 3h2iA1 ARG 156 HA -0.03 -0.03 0.35 -0.75 4.34 3.87 3h2iA1 ARG 156 HB2 -0.02 0.22 0.16 -0.04 1.90 2.22 3h2iA1 ARG 156 HB3 -0.02 -0.05 0.00 -0.04 1.80 1.69 3h2iA1 ARG 156 HG2 0.02 -0.06 0.02 -0.04 1.67 1.60 3h2iA1 ARG 156 HG3 0.04 0.07 0.04 -0.04 1.67 1.78 3h2iA1 ARG 156 HD2 0.05 -0.01 -0.08 -0.04 3.22 3.15 3h2iA1 ARG 156 HD3 -0.03 -0.02 -0.00 -0.04 3.22 3.13 3h2iA1 SER 157 H -0.09 0.40 -0.35 -0.55 8.46 7.88 3h2iA1 SER 157 HA -0.02 0.04 0.50 -0.75 4.49 4.26 3h2iA1 SER 157 HB2 -0.07 0.15 0.20 -0.04 3.95 4.19 3h2iA1 SER 157 HB3 -0.03 -0.07 0.05 -0.04 3.93 3.84 3h2iA1 VAL 158 H -0.14 0.47 -0.11 -0.55 8.24 7.92 3h2iA1 VAL 158 HA -0.01 0.00 0.39 -0.75 4.13 3.75 3h2iA1 VAL 158 HB -0.20 0.24 0.20 -0.04 2.12 2.31 3h2iA1 VAL 158 HG13 -0.10 -0.03 -0.18 -0.04 0.97 0.61 3h2iA1 VAL 158 HG23 -0.22 0.02 0.00 -0.04 0.95 0.71 3h2iA1 LEU 159 H -0.06 0.67 -0.02 -0.55 8.37 8.42 3h2iA1 LEU 159 HA 0.02 -0.03 0.37 -0.75 4.35 3.95 3h2iA1 LEU 159 HB2 -0.00 0.08 0.07 -0.04 1.64 1.74 3h2iA1 LEU 159 HB3 0.03 0.05 -0.02 -0.04 1.64 1.66 3h2iA1 LEU 159 HG -0.05 0.03 -0.03 -0.04 1.64 1.55 3h2iA1 LEU 159 HD13 0.01 -0.01 -0.20 -0.04 0.93 0.68 3h2iA1 LEU 159 HD23 0.03 -0.01 -0.08 -0.04 0.89 0.78 3h2iA1 GLN 160 H 0.01 0.53 -0.35 -0.55 8.47 8.11 3h2iA1 GLN 160 HA 0.02 0.04 0.41 -0.75 4.36 4.08 3h2iA1 GLN 160 HB2 0.01 0.21 0.20 -0.04 2.15 2.52 3h2iA1 GLN 160 HB3 0.03 0.06 0.14 -0.04 2.02 2.20 3h2iA1 GLN 160 HG2 0.02 -0.03 -0.01 -0.04 2.40 2.33 3h2iA1 GLN 160 HG3 0.01 -0.01 0.05 -0.04 2.39 2.39 3h2iA1 GLN 160 HE21 0.00 -0.04 -0.01 -0.04 6.97 6.88 3h2iA1 GLN 160 HE22 0.00 -0.01 -0.00 -0.04 7.69 7.64 3h2iA1 HIS 161 H 0.12 0.51 -0.17 -0.55 8.41 8.32 3h2iA1 HIS 161 HA 0.01 0.01 0.45 -0.75 4.63 4.34 3h2iA1 HIS 161 HB2 0.00 -0.00 0.13 -0.04 3.26 3.35 3h2iA1 HIS 161 HB3 0.00 0.13 0.19 -0.04 3.20 3.48 3h2iA1 HIS 161 HD2 0.05 -0.03 -0.10 -0.04 6.97 6.84 3h2iA1 HIS 161 HE1 0.02 -0.04 0.00 -0.04 7.75 7.69 3h2iA1 LEU 162 H 0.06 0.49 -0.16 -0.55 8.37 8.22 3h2iA1 LEU 162 HA -0.09 0.03 0.48 -0.75 4.35 4.02 3h2iA1 LEU 162 HB2 0.06 0.02 0.06 -0.04 1.64 1.73 3h2iA1 LEU 162 HB3 0.09 -0.06 0.05 -0.04 1.64 1.68 3h2iA1 LEU 162 HG 0.12 0.20 -0.01 -0.04 1.64 1.91 3h2iA1 LEU 162 HD13 0.10 -0.04 -0.11 -0.04 0.93 0.83 3h2iA1 LEU 162 HD23 0.24 -0.02 -0.06 -0.04 0.89 1.01 3h2iA1 LYS 163 H -0.00 0.28 -0.63 -0.55 8.42 7.51 3h2iA1 LYS 163 HA -0.00 0.07 0.26 -0.75 4.32 3.89 3h2iA1 LYS 163 HB2 -0.01 0.18 0.18 -0.04 1.87 2.17 3h2iA1 LYS 163 HB3 -0.01 -0.10 0.18 -0.04 1.79 1.81 3h2iA1 LYS 163 HG2 -0.03 0.05 -0.03 -0.04 1.46 1.40 3h2iA1 LYS 163 HG3 -0.07 0.09 -0.39 -0.04 1.46 1.06 3h2iA1 LYS 163 HD2 -0.03 -0.03 -0.03 -0.04 1.69 1.55 3h2iA1 LYS 163 HD3 -0.02 -0.05 0.00 -0.04 1.68 1.57 3h2iA1 LYS 163 HE2 -0.03 0.02 -0.00 -0.04 2.99 2.93 3h2iA1 LYS 163 HE3 -0.06 0.01 -0.02 -0.04 2.99 2.89 3h2iA1 THR 164 H 0.04 0.43 -0.09 -0.55 8.28 8.11 3h2iA1 THR 164 HA 0.09 0.09 0.47 -0.75 4.39 4.29 3h2iA1 THR 164 HB 0.08 -0.08 0.02 -0.04 4.32 4.30 3h2iA1 THR 164 HG23 0.23 0.01 -0.08 -0.04 1.22 1.34 3h2iA1 PRO 165 HA -0.02 0.07 0.57 -0.51 4.44 4.55 3h2iA1 PRO 165 HB2 -0.13 -0.00 0.03 -0.04 2.28 2.14 3h2iA1 PRO 165 HB3 -0.06 0.06 0.10 -0.04 2.02 2.07 3h2iA1 PRO 165 HG2 -0.36 -0.07 0.25 -0.04 2.03 1.81 3h2iA1 PRO 165 HG3 -0.15 -0.02 0.14 -0.04 2.03 1.97 3h2iA1 PRO 165 HD2 0.12 0.05 0.26 -0.04 3.68 4.06 3h2iA1 PRO 165 HD3 0.01 0.29 0.31 -0.04 3.65 4.22 3h2iA1 LEU 166 H -0.01 0.22 0.23 -0.55 8.37 8.26 3h2iA1 LEU 166 HA 0.04 0.22 0.99 -0.75 4.35 4.85 3h2iA1 LEU 166 HB2 0.01 0.00 0.09 -0.04 1.64 1.70 3h2iA1 LEU 166 HB3 0.04 -0.06 0.06 -0.04 1.64 1.64 3h2iA1 LEU 166 HG 0.05 0.15 -0.12 -0.04 1.64 1.67 3h2iA1 LEU 166 HD13 0.04 -0.02 -0.04 -0.04 0.93 0.86 3h2iA1 LEU 166 HD23 0.11 0.01 -0.17 -0.04 0.89 0.79 3h2iA1 SER 167 H -0.01 0.69 0.15 -0.55 8.46 8.75 3h2iA1 SER 167 HA -0.05 0.10 0.46 -0.75 4.49 4.24 3h2iA1 SER 167 HB2 -0.06 0.05 0.03 -0.04 3.95 3.94 3h2iA1 SER 167 HB3 -0.06 0.08 -0.18 -0.04 3.93 3.73 3h2iA1 GLY 168 H 0.00 0.12 -0.09 -0.55 8.43 7.91 3h2iA1 GLY 168 HA2 0.01 -0.01 0.27 -0.51 4.01 3.77 3h2iA1 GLY 168 HA3 -0.03 0.22 0.81 -0.51 4.01 4.49 3h2iA1 LYS 169 H -0.04 0.00 -0.19 -0.55 8.42 7.64 3h2iA1 LYS 169 HA -0.07 0.22 0.58 -0.75 4.32 4.30 3h2iA1 LYS 169 HB2 -0.00 -0.13 0.11 -0.04 1.87 1.80 3h2iA1 LYS 169 HB3 0.01 0.07 0.03 -0.04 1.79 1.86 3h2iA1 LYS 169 HG2 -0.10 -0.09 -0.07 -0.04 1.46 1.16 3h2iA1 LYS 169 HG3 -0.06 0.22 0.03 -0.04 1.46 1.61 3h2iA1 LYS 169 HD2 -0.09 0.06 0.05 -0.04 1.69 1.67 3h2iA1 LYS 169 HD3 -0.38 -0.02 -0.05 -0.04 1.68 1.19 3h2iA1 LYS 169 HE2 -0.15 -0.05 -0.00 -0.04 2.99 2.76 3h2iA1 LYS 169 HE3 -0.14 -0.04 -0.02 -0.04 2.99 2.74 3h2iA1 VAL 170 H 0.12 0.65 0.39 -0.55 8.24 8.85 3h2iA1 VAL 170 HA 0.12 0.27 1.11 -0.75 4.13 4.88 3h2iA1 VAL 170 HB 0.19 -0.04 -0.29 -0.04 2.12 1.94 3h2iA1 VAL 170 HG13 0.11 -0.02 -0.09 -0.04 0.97 0.93 3h2iA1 VAL 170 HG23 0.23 0.04 -0.15 -0.04 0.95 1.02 3h2iA1 MET 171 H 0.12 0.72 0.50 -0.55 8.47 9.27 3h2iA1 MET 171 HA 0.09 0.21 0.94 -0.75 4.52 5.01 3h2iA1 MET 171 HB2 0.16 -0.05 -0.09 -0.04 2.15 2.13 3h2iA1 MET 171 HB3 0.12 -0.01 0.03 -0.04 2.03 2.12 3h2iA1 MET 171 HG2 0.12 -0.00 -0.08 -0.04 2.63 2.62 3h2iA1 MET 171 HG3 0.14 -0.05 -0.60 -0.04 2.56 2.00 3h2iA1 MET 171 HE3 0.13 0.04 -0.28 -0.04 2.10 1.95 3h2iA1 LEU 172 H 0.08 0.52 0.38 -0.55 8.37 8.80 3h2iA1 LEU 172 HA 0.09 0.31 1.03 -0.75 4.35 5.03 3h2iA1 LEU 172 HB2 0.03 -0.06 0.06 -0.04 1.64 1.63 3h2iA1 LEU 172 HB3 0.01 -0.03 0.08 -0.04 1.64 1.65 3h2iA1 LEU 172 HG 0.02 -0.02 -0.43 -0.04 1.64 1.17 3h2iA1 LEU 172 HD13 -0.03 0.02 -0.13 -0.04 0.93 0.74 3h2iA1 LEU 172 HD23 -0.03 0.02 0.01 -0.04 0.89 0.84 3h2iA1 SER 173 H 0.08 0.62 0.37 -0.55 8.46 8.98 3h2iA1 SER 173 HA 0.05 0.04 0.27 -0.75 4.49 4.10 3h2iA1 SER 173 HB2 0.18 0.13 -0.17 -0.04 3.95 4.05 3h2iA1 SER 173 HB3 0.46 -0.03 -0.17 -0.04 3.93 4.16 3h2iA1 GLY 174 H -0.14 0.37 0.18 -0.55 8.43 8.29 3h2iA1 GLY 174 HA2 -2.01 0.06 0.44 -0.51 4.01 1.99 3h2iA1 GLY 174 HA3 -0.56 0.26 0.27 -0.51 4.01 3.46 3h2iA1 TYR 175 H -0.51 0.47 0.14 -0.55 8.29 7.84 3h2iA1 TYR 175 HA -0.03 0.37 1.00 -0.75 4.56 5.15 3h2iA1 TYR 175 HB2 0.19 0.08 -0.05 -0.04 3.06 3.24 3h2iA1 TYR 175 HB3 0.22 0.01 0.08 -0.04 2.98 3.26 3h2iA1 TYR 175 HD2 0.07 0.04 -0.06 -0.04 7.15 7.15 3h2iA1 TYR 175 HE2 -0.27 0.05 -0.04 -0.04 6.85 6.55 3h2iA1 SER 176 H -0.12 0.59 0.13 -0.55 8.46 8.52 3h2iA1 SER 176 HA -0.06 0.40 0.38 -0.75 4.49 4.46 3h2iA1 SER 176 HB2 -1.37 0.02 -0.12 -0.04 3.95 2.44 3h2iA1 SER 176 HB3 -0.41 -0.10 0.36 -0.04 3.93 3.74 3h2iA1 GLN 177 H -0.06 0.04 0.31 -0.55 8.47 8.21 3h2iA1 GLN 177 HA -0.07 0.08 0.45 -0.75 4.36 4.07 3h2iA1 GLN 177 HB2 0.14 -0.05 0.15 -0.04 2.15 2.35 3h2iA1 GLN 177 HB3 0.13 0.10 0.04 -0.04 2.02 2.25 3h2iA1 GLN 177 HG2 -0.05 -0.01 -0.10 -0.04 2.40 2.21 3h2iA1 GLN 177 HG3 -0.27 -0.02 0.06 -0.04 2.39 2.12 3h2iA1 GLN 177 HE21 0.55 0.14 -0.08 -0.04 6.97 7.53 3h2iA1 GLN 177 HE22 -0.12 -0.06 -0.02 -0.04 7.69 7.45 3h2iA1 GLY 178 H -0.09 0.41 -0.43 -0.55 8.43 7.78 3h2iA1 GLY 178 HA2 -0.08 0.03 0.15 -0.51 4.01 3.60 3h2iA1 GLY 178 HA3 -0.27 0.29 -0.03 -0.51 4.01 3.49 3h2iA1 GLY 179 H -0.05 0.38 -1.05 -0.55 8.43 7.16 3h2iA1 GLY 179 HA2 0.04 0.03 0.33 -0.51 4.01 3.90 3h2iA1 GLY 179 HA3 0.12 0.07 0.01 -0.51 4.01 3.70 3h2iA1 HIS 180 H 0.10 0.32 -0.26 -0.55 8.41 8.03 3h2iA1 HIS 180 HA 0.14 0.03 0.24 -0.75 4.63 4.30 3h2iA1 HIS 180 HB2 -0.07 -0.07 0.04 -0.04 3.26 3.13 3h2iA1 HIS 180 HB3 -0.09 0.17 0.13 -0.04 3.20 3.37 3h2iA1 HIS 180 HD2 -0.00 -0.00 -0.20 -0.04 6.97 6.73 3h2iA1 HIS 180 HE1 -0.10 -0.05 -0.16 -0.04 7.75 7.39 3h2iA1 THR 181 H 0.04 0.58 -0.19 -0.55 8.28 8.15 3h2iA1 THR 181 HA -0.09 -0.00 0.18 -0.75 4.39 3.73 3h2iA1 THR 181 HB -0.06 0.07 0.07 -0.04 4.32 4.37 3h2iA1 THR 181 HG23 -0.01 0.00 -0.20 -0.04 1.22 0.97 3h2iA1 ALA 182 H -0.06 0.65 -0.31 -0.55 8.40 8.13 3h2iA1 ALA 182 HA -0.05 0.04 0.26 -0.75 4.34 3.84 3h2iA1 ALA 182 HB3 -0.04 0.02 -0.20 -0.04 1.41 1.15 3h2iA1 MET 183 H 0.03 0.57 -0.20 -0.55 8.47 8.32 3h2iA1 MET 183 HA 0.05 0.02 0.33 -0.75 4.52 4.17 3h2iA1 MET 183 HB2 0.03 -0.03 0.04 -0.04 2.15 2.14 3h2iA1 MET 183 HB3 0.07 0.06 0.05 -0.04 2.03 2.18 3h2iA1 MET 183 HG2 0.29 0.01 -0.19 -0.04 2.63 2.70 3h2iA1 MET 183 HG3 0.36 -0.01 -0.02 -0.04 2.56 2.85 3h2iA1 MET 183 HE3 -0.45 -0.02 -0.07 -0.04 2.10 1.52 3h2iA1 ALA 184 H -0.16 0.72 -0.20 -0.55 8.40 8.21 3h2iA1 ALA 184 HA -0.31 0.02 0.34 -0.75 4.34 3.64 3h2iA1 ALA 184 HB3 -0.26 0.01 0.01 -0.04 1.41 1.12 3h2iA1 THR 185 H -0.13 0.58 -0.28 -0.55 8.28 7.90 3h2iA1 THR 185 HA -0.14 -0.03 0.43 -0.75 4.39 3.90 3h2iA1 THR 185 HB -0.09 0.14 0.08 -0.04 4.32 4.42 3h2iA1 THR 185 HG23 -0.15 -0.01 -0.11 -0.04 1.22 0.91 3h2iA1 GLN 186 H -0.09 0.53 -0.14 -0.55 8.47 8.22 3h2iA1 GLN 186 HA -0.04 0.01 0.31 -0.75 4.36 3.88 3h2iA1 GLN 186 HB2 0.03 0.02 0.05 -0.04 2.15 2.20 3h2iA1 GLN 186 HB3 0.07 0.14 0.13 -0.04 2.02 2.32 3h2iA1 GLN 186 HG2 0.21 -0.04 -0.26 -0.04 2.40 2.27 3h2iA1 GLN 186 HG3 0.07 0.00 -0.08 -0.04 2.39 2.35 3h2iA1 GLN 186 HE21 -0.09 0.10 -0.15 -0.04 6.97 6.78 3h2iA1 GLN 186 HE22 0.06 -0.16 -0.09 -0.04 7.69 7.46 3h2iA1 ARG 187 H -0.45 0.60 -0.17 -0.55 8.46 7.89 3h2iA1 ARG 187 HA -0.79 -0.00 0.27 -0.75 4.34 3.07 3h2iA1 ARG 187 HB2 -2.08 0.01 0.01 -0.04 1.90 -0.21 3h2iA1 ARG 187 HB3 -0.74 0.09 0.06 -0.04 1.80 1.17 3h2iA1 ARG 187 HG2 -0.55 -0.00 -0.31 -0.04 1.67 0.76 3h2iA1 ARG 187 HG3 -1.07 -0.03 -0.08 -0.04 1.67 0.46 3h2iA1 ARG 187 HD2 -0.54 0.03 -0.11 -0.04 3.22 2.56 3h2iA1 ARG 187 HD3 -1.48 -0.03 -0.15 -0.04 3.22 1.51 3h2iA1 GLU 188 H -0.28 0.44 -0.25 -0.55 8.60 7.96 3h2iA1 GLU 188 HA -0.13 0.02 0.38 -0.75 4.29 3.80 3h2iA1 GLU 188 HB2 -0.13 0.02 0.09 -0.04 2.09 2.03 3h2iA1 GLU 188 HB3 -0.12 0.09 0.14 -0.04 1.99 2.07 3h2iA1 GLU 188 HG2 -0.03 -0.06 -0.08 -0.04 2.34 2.13 3h2iA1 GLU 188 HG3 0.01 -0.00 -0.26 -0.04 2.34 2.04 3h2iA1 ILE 189 H -0.11 0.76 -0.05 -0.55 8.25 8.30 3h2iA1 ILE 189 HA 0.04 -0.05 0.38 -0.75 4.18 3.80 3h2iA1 ILE 189 HB -0.04 0.09 0.09 -0.04 1.89 1.98 3h2iA1 ILE 189 HG12 -0.15 -0.06 -0.03 -0.04 1.49 1.21 3h2iA1 ILE 189 HG13 -0.15 0.14 0.02 -0.04 1.21 1.18 3h2iA1 ILE 189 HG23 0.11 -0.00 -0.26 -0.04 0.93 0.73 3h2iA1 ILE 189 HD13 -0.32 -0.01 -0.12 -0.04 0.88 0.38 3h2iA1 GLU 190 H -0.05 0.73 -0.08 -0.55 8.60 8.66 3h2iA1 GLU 190 HA 0.00 0.01 0.39 -0.75 4.29 3.94 3h2iA1 GLU 190 HB2 0.02 0.12 0.12 -0.04 2.09 2.31 3h2iA1 GLU 190 HB3 0.05 -0.01 -0.00 -0.04 1.99 1.98 3h2iA1 GLU 190 HG2 0.04 0.03 0.05 -0.04 2.34 2.41 3h2iA1 GLU 190 HG3 0.05 0.08 0.04 -0.04 2.34 2.47 3h2iA1 ALA 191 H -0.16 0.46 -0.25 -0.55 8.40 7.90 3h2iA1 ALA 191 HA -0.19 0.06 0.57 -0.75 4.34 4.03 3h2iA1 ALA 191 HB3 -0.49 -0.01 0.10 -0.04 1.41 0.96 3h2iA1 HIS 192 H -0.09 0.48 -0.00 -0.55 8.41 8.25 3h2iA1 HIS 192 HA 0.01 0.21 1.06 -0.75 4.63 5.15 3h2iA1 HIS 192 HB2 0.00 0.03 0.01 -0.04 3.26 3.26 3h2iA1 HIS 192 HB3 0.01 -0.06 0.12 -0.04 3.20 3.23 3h2iA1 HIS 192 HD2 -0.00 0.05 -0.03 -0.04 6.97 6.95 3h2iA1 HIS 192 HE1 -0.04 -0.03 -0.04 -0.04 7.75 7.60 3h2iA1 LEU 193 H 0.07 0.86 0.25 -0.55 8.37 9.01 3h2iA1 LEU 193 HA 0.10 0.17 1.05 -0.75 4.35 4.91 3h2iA1 LEU 193 HB2 0.28 0.00 0.11 -0.04 1.64 1.98 3h2iA1 LEU 193 HB3 0.34 -0.09 0.17 -0.04 1.64 2.03 3h2iA1 LEU 193 HG 0.16 -0.03 -0.43 -0.04 1.64 1.30 3h2iA1 LEU 193 HD13 0.23 -0.02 -0.10 -0.04 0.93 1.00 3h2iA1 LEU 193 HD23 0.11 0.10 -0.04 -0.04 0.89 1.03 3h2iA1 SER 194 H 0.04 0.22 -0.02 -0.55 8.46 8.15 3h2iA1 SER 194 HA 0.05 0.16 0.34 -0.75 4.49 4.28 3h2iA1 SER 194 HB2 -0.01 -0.06 0.02 -0.04 3.95 3.86 3h2iA1 SER 194 HB3 -0.03 0.01 0.03 -0.04 3.93 3.90 3h2iA1 LYS 195 H 0.01 0.01 -0.36 -0.55 8.42 7.53 3h2iA1 LYS 195 HA -0.02 0.13 0.44 -0.75 4.32 4.11 3h2iA1 LYS 195 HB2 -0.01 -0.03 0.04 -0.04 1.87 1.83 3h2iA1 LYS 195 HB3 -0.03 -0.00 -0.03 -0.04 1.79 1.69 3h2iA1 LYS 195 HG2 -0.02 0.03 -0.00 -0.04 1.46 1.43 3h2iA1 LYS 195 HG3 -0.01 -0.03 -0.02 -0.04 1.46 1.36 3h2iA1 LYS 195 HD2 -0.02 0.06 -0.09 -0.04 1.69 1.60 3h2iA1 LYS 195 HD3 -0.01 -0.02 -0.03 -0.04 1.68 1.57 3h2iA1 LYS 195 HE2 -0.02 -0.03 -0.05 -0.04 2.99 2.86 3h2iA1 LYS 195 HE3 -0.04 0.01 -0.15 -0.04 2.99 2.77 3h2iA1 GLU 196 H -0.05 0.02 -0.11 -0.55 8.60 7.92 3h2iA1 GLU 196 HA -0.20 0.06 0.39 -0.75 4.29 3.79 3h2iA1 GLU 196 HB2 -0.19 -0.06 0.08 -0.04 2.09 1.89 3h2iA1 GLU 196 HB3 -0.30 0.04 0.09 -0.04 1.99 1.78 3h2iA1 GLU 196 HG2 -1.49 0.02 -0.21 -0.04 2.34 0.62 3h2iA1 GLU 196 HG3 -0.43 -0.00 0.03 -0.04 2.34 1.90 3h2iA1 PHE 197 H 0.07 0.59 -0.20 -0.55 8.34 8.26 3h2iA1 PHE 197 HA 0.05 0.17 0.88 -0.75 4.62 4.97 3h2iA1 PHE 197 HB2 0.02 -0.00 0.06 -0.04 3.15 3.19 3h2iA1 PHE 197 HB3 0.04 -0.04 -0.09 -0.04 3.06 2.93 3h2iA1 PHE 197 HD2 0.03 0.04 -0.05 -0.04 7.28 7.26 3h2iA1 PHE 197 HE2 0.01 -0.03 -0.12 -0.04 7.38 7.20 3h2iA1 PHE 197 HZ 0.00 0.00 -0.09 -0.04 7.32 7.20 3h2iA1 HIS 198 H 0.21 0.27 0.01 -0.55 8.41 8.36 3h2iA1 HIS 198 HA 0.06 0.17 0.55 -0.75 4.63 4.66 3h2iA1 HIS 198 HB2 0.03 0.04 0.10 -0.04 3.26 3.39 3h2iA1 HIS 198 HB3 0.05 0.15 0.27 -0.04 3.20 3.62 3h2iA1 HIS 198 HD2 0.01 -0.01 -0.00 -0.04 6.97 6.92 3h2iA1 HIS 198 HE1 0.02 0.00 -0.07 -0.04 7.75 7.66 3h2iA1 LEU 199 H 0.11 0.38 0.15 -0.55 8.37 8.46 3h2iA1 LEU 199 HA 0.14 0.13 0.48 -0.75 4.35 4.34 3h2iA1 LEU 199 HB2 0.09 0.06 0.01 -0.04 1.64 1.75 3h2iA1 LEU 199 HB3 0.06 -0.02 0.10 -0.04 1.64 1.74 3h2iA1 LEU 199 HG 0.06 -0.02 -0.22 -0.04 1.64 1.42 3h2iA1 LEU 199 HD13 0.06 0.03 -0.20 -0.04 0.93 0.77 3h2iA1 LEU 199 HD23 0.03 -0.03 -0.08 -0.04 0.89 0.76 3h2iA1 VAL 200 H 0.13 0.62 0.48 -0.55 8.24 8.91 3h2iA1 VAL 200 HA 0.11 0.21 1.09 -0.75 4.13 4.78 3h2iA1 VAL 200 HB 0.08 0.01 0.18 -0.04 2.12 2.34 3h2iA1 VAL 200 HG13 0.15 0.04 -0.04 -0.04 0.97 1.08 3h2iA1 VAL 200 HG23 0.08 0.06 -0.04 -0.04 0.95 1.00 3h2iA1 ALA 201 H 0.08 0.18 0.26 -0.55 8.40 8.38 3h2iA1 ALA 201 HA 0.04 0.33 0.61 -0.75 4.34 4.57 3h2iA1 ALA 201 HB3 0.07 0.01 -0.13 -0.04 1.41 1.33 3h2iA1 SER 202 H 0.03 0.60 0.23 -0.55 8.46 8.77 3h2iA1 SER 202 HA 0.05 0.11 0.89 -0.75 4.49 4.78 3h2iA1 SER 202 HB2 0.03 0.01 -0.19 -0.04 3.95 3.77 3h2iA1 SER 202 HB3 0.01 0.07 -0.01 -0.04 3.93 3.96 3h2iA1 ALA 203 H 0.06 0.57 0.14 -0.55 8.40 8.62 3h2iA1 ALA 203 HA 0.04 0.34 1.03 -0.75 4.34 5.00 3h2iA1 ALA 203 HB3 0.07 -0.01 0.07 -0.04 1.41 1.51 3h2iA1 PRO 204 HA 0.07 -0.03 0.52 -0.51 4.44 4.49 3h2iA1 PRO 204 HB2 0.03 -0.05 0.05 -0.04 2.28 2.27 3h2iA1 PRO 204 HB3 0.21 0.09 0.05 -0.04 2.02 2.33 3h2iA1 PRO 204 HG2 -0.08 0.07 -0.07 -0.04 2.03 1.91 3h2iA1 PRO 204 HG3 0.02 -0.01 -0.15 -0.04 2.03 1.85 3h2iA1 PRO 204 HD2 -0.02 0.15 -0.11 -0.04 3.68 3.67 3h2iA1 PRO 204 HD3 0.01 0.06 -0.49 -0.04 3.65 3.20 3h2iA1 ILE 205 H 0.09 0.64 0.40 -0.55 8.25 8.83 3h2iA1 ILE 205 HA 0.18 0.25 1.22 -0.75 4.18 5.07 3h2iA1 ILE 205 HB 0.21 0.00 0.19 -0.04 1.89 2.25 3h2iA1 ILE 205 HG12 0.15 0.03 -0.12 -0.04 1.49 1.50 3h2iA1 ILE 205 HG13 0.15 0.19 -0.05 -0.04 1.21 1.46 3h2iA1 ILE 205 HG23 0.22 -0.03 -0.18 -0.04 0.93 0.90 3h2iA1 ILE 205 HD13 0.26 -0.01 -0.19 -0.04 0.88 0.90 3h2iA1 SER 206 H 0.19 0.80 0.37 -0.55 8.46 9.28 3h2iA1 SER 206 HA 0.13 0.07 0.40 -0.75 4.49 4.34 3h2iA1 SER 206 HB2 0.20 -0.08 0.06 -0.04 3.95 4.08 3h2iA1 SER 206 HB3 0.29 -0.02 0.23 -0.04 3.93 4.39 3h2iA1 GLY 207 H 0.00 0.12 -0.28 -0.55 8.43 7.72 3h2iA1 GLY 207 HA2 -0.10 0.28 0.74 -0.51 4.01 4.42 3h2iA1 GLY 207 HA3 -0.18 -0.06 0.06 -0.51 4.01 3.32 3h2iA1 PRO 208 HA -0.20 0.09 0.51 -0.51 4.44 4.33 3h2iA1 PRO 208 HB2 0.02 0.04 0.05 -0.04 2.28 2.35 3h2iA1 PRO 208 HB3 -0.02 0.03 -0.01 -0.04 2.02 1.99 3h2iA1 PRO 208 HG2 -0.08 0.09 0.04 -0.04 2.03 2.03 3h2iA1 PRO 208 HG3 -0.07 0.03 0.01 -0.04 2.03 1.97 3h2iA1 PRO 208 HD2 -0.05 0.07 0.08 -0.04 3.68 3.74 3h2iA1 PRO 208 HD3 -0.07 0.12 0.02 -0.04 3.65 3.68 3h2iA1 TYR 209 H -0.94 0.36 -0.33 -0.55 8.29 6.83 3h2iA1 TYR 209 HA 0.13 0.11 0.28 -0.75 4.56 4.33 3h2iA1 TYR 209 HB2 0.04 0.05 -0.09 -0.04 3.06 3.02 3h2iA1 TYR 209 HB3 0.13 0.15 -0.02 -0.04 2.98 3.20 3h2iA1 TYR 209 HD2 0.07 0.06 -0.31 -0.04 7.15 6.92 3h2iA1 TYR 209 HE2 0.07 -0.02 -0.26 -0.04 6.85 6.61 3h2iA1 ALA 210 H 0.05 0.08 -0.34 -0.55 8.40 7.63 3h2iA1 ALA 210 HA 0.04 0.15 0.63 -0.75 4.34 4.41 3h2iA1 ALA 210 HB3 0.00 0.01 0.06 -0.04 1.41 1.44 3h2iA1 LEU 211 H 0.08 0.43 -0.33 -0.55 8.37 8.00 3h2iA1 LEU 211 HA 0.09 -0.01 0.34 -0.75 4.35 4.01 3h2iA1 LEU 211 HB2 0.08 0.22 0.09 -0.04 1.64 1.99 3h2iA1 LEU 211 HB3 0.02 0.05 -0.01 -0.04 1.64 1.66 3h2iA1 LEU 211 HG -0.08 -0.06 -0.23 -0.04 1.64 1.22 3h2iA1 LEU 211 HD13 0.11 -0.05 0.02 -0.04 0.93 0.97 3h2iA1 LEU 211 HD23 -0.15 0.04 0.02 -0.04 0.89 0.77 3h2iA1 GLU 212 H -0.03 0.19 -0.14 -0.55 8.60 8.07 3h2iA1 GLU 212 HA -0.08 0.09 0.36 -0.75 4.29 3.91 3h2iA1 GLU 212 HB2 -0.14 0.08 -0.10 -0.04 2.09 1.88 3h2iA1 GLU 212 HB3 -0.09 -0.06 0.02 -0.04 1.99 1.82 3h2iA1 GLU 212 HG2 -0.18 -0.03 -0.29 -0.04 2.34 1.80 3h2iA1 GLU 212 HG3 -0.27 0.02 -0.01 -0.04 2.34 2.05 3h2iA1 GLN 213 H -0.03 0.04 -0.38 -0.55 8.47 7.54 3h2iA1 GLN 213 HA -0.08 0.09 0.30 -0.75 4.36 3.92 3h2iA1 GLN 213 HB2 -0.05 0.02 0.02 -0.04 2.15 2.09 3h2iA1 GLN 213 HB3 -0.03 0.07 0.02 -0.04 2.02 2.04 3h2iA1 GLN 213 HG2 -0.06 -0.04 -0.30 -0.04 2.40 1.96 3h2iA1 GLN 213 HG3 -0.07 0.04 -0.02 -0.04 2.39 2.30 3h2iA1 GLN 213 HE21 -0.05 0.02 -0.05 -0.04 6.97 6.85 3h2iA1 GLN 213 HE22 -0.06 0.05 -0.04 -0.04 7.69 7.60 3h2iA1 THR 214 H 0.01 0.59 -0.18 -0.55 8.28 8.16 3h2iA1 THR 214 HA -0.11 -0.05 0.36 -0.75 4.39 3.84 3h2iA1 THR 214 HB 0.10 0.17 0.12 -0.04 4.32 4.67 3h2iA1 THR 214 HG23 -0.12 -0.03 -0.11 -0.04 1.22 0.93 3h2iA1 PHE 215 H 0.30 0.47 -0.17 -0.55 8.34 8.38 3h2iA1 PHE 215 HA -0.18 -0.00 0.38 -0.75 4.62 4.07 3h2iA1 PHE 215 HB2 0.06 0.13 0.12 -0.04 3.15 3.42 3h2iA1 PHE 215 HB3 0.11 0.01 -0.07 -0.04 3.06 3.07 3h2iA1 PHE 215 HD2 0.31 0.12 -0.00 -0.04 7.28 7.67 3h2iA1 PHE 215 HE2 0.39 -0.05 -0.03 -0.04 7.38 7.66 3h2iA1 PHE 215 HZ 0.40 0.01 -0.15 -0.04 7.32 7.54 3h2iA1 LEU 216 H 0.03 0.51 -0.12 -0.55 8.37 8.25 3h2iA1 LEU 216 HA -0.04 0.04 0.39 -0.75 4.35 3.99 3h2iA1 LEU 216 HB2 -0.12 0.01 0.12 -0.04 1.64 1.62 3h2iA1 LEU 216 HB3 -0.17 -0.00 0.01 -0.04 1.64 1.44 3h2iA1 LEU 216 HG -0.27 0.13 0.04 -0.04 1.64 1.50 3h2iA1 LEU 216 HD13 -0.27 -0.03 -0.10 -0.04 0.93 0.49 3h2iA1 LEU 216 HD23 -0.74 0.02 -0.05 -0.04 0.89 0.08 3h2iA1 ASP 217 H -0.11 0.57 -0.15 -0.55 8.40 8.16 3h2iA1 ASP 217 HA -0.07 0.07 0.50 -0.75 4.63 4.37 3h2iA1 ASP 217 HB2 -0.17 0.10 0.13 -0.04 2.71 2.73 3h2iA1 ASP 217 HB3 -0.12 -0.17 0.06 -0.04 2.70 2.43 3h2iA1 SER 218 H -0.38 0.43 -0.21 -0.55 8.46 7.75 3h2iA1 SER 218 HA -0.24 0.28 0.72 -0.75 4.49 4.49 3h2iA1 SER 218 HB2 -2.11 0.12 0.04 -0.04 3.95 1.95 3h2iA1 SER 218 HB3 -1.31 -0.15 0.05 -0.04 3.93 2.48 3h2iA1 TRP 219 H 0.13 0.35 -0.30 -0.55 7.97 7.60 3h2iA1 TRP 219 HA 0.07 -0.02 0.34 -0.75 4.62 4.26 3h2iA1 TRP 219 HB2 0.06 0.15 0.18 -0.04 3.23 3.58 3h2iA1 TRP 219 HB3 -0.03 -0.00 0.06 -0.04 3.23 3.22 3h2iA1 TRP 219 HD1 -0.36 -0.01 -0.02 -0.04 7.22 6.79 3h2iA1 TRP 219 HE1 -0.71 0.67 0.21 -0.04 10.20 10.32 3h2iA1 TRP 219 HE3 0.15 0.04 -0.01 -0.04 7.59 7.73 3h2iA1 TRP 219 HZ2 -0.77 0.01 -0.05 -0.04 7.44 6.59 3h2iA1 TRP 219 HZ3 0.17 -0.07 -0.05 -0.04 7.13 7.15 3h2iA1 TRP 219 HH2 -0.68 -0.05 -0.06 -0.04 7.19 6.35 3h2iA1 SER 220 H 0.15 0.18 -0.26 -0.55 8.46 7.99 3h2iA1 SER 220 HA 0.18 0.09 0.43 -0.75 4.49 4.44 3h2iA1 SER 220 HB2 0.10 -0.02 0.09 -0.04 3.95 4.07 3h2iA1 SER 220 HB3 0.11 0.03 0.09 -0.04 3.93 4.12 3h2iA1 GLY 221 H 0.12 0.48 -0.28 -0.55 8.43 8.21 3h2iA1 GLY 221 HA2 0.22 -0.00 0.31 -0.51 4.01 4.03 3h2iA1 GLY 221 HA3 0.10 0.19 0.88 -0.51 4.01 4.67 3h2iA1 SER 222 H 0.07 0.29 0.12 -0.55 8.46 8.39 3h2iA1 SER 222 HA 0.12 -0.12 0.77 -0.75 4.49 4.50 3h2iA1 SER 222 HB2 0.05 0.12 -0.07 -0.04 3.95 4.00 3h2iA1 SER 222 HB3 0.06 -0.01 -0.18 -0.04 3.93 3.76 3h2iA1 ASN 223 H 0.02 0.56 0.34 -0.55 8.53 8.90 3h2iA1 ASN 223 HA -0.05 0.36 0.86 -0.75 4.76 5.18 3h2iA1 ASN 223 HB2 -0.09 -0.09 0.09 -0.04 2.88 2.74 3h2iA1 ASN 223 HB3 -0.20 0.11 -0.25 -0.04 2.79 2.40 3h2iA1 ASN 223 HD21 0.05 0.40 0.03 -0.04 7.03 7.47 3h2iA1 ASN 223 HD22 -0.32 0.01 -0.07 -0.04 7.74 7.32 3h2iA1 ALA 224 H -0.03 0.18 0.13 -0.55 8.40 8.14 3h2iA1 ALA 224 HA -0.00 0.11 0.29 -0.75 4.34 3.98 3h2iA1 ALA 224 HB3 -0.01 0.00 0.09 -0.04 1.41 1.45 3h2iA1 VAL 225 H 0.00 -0.06 -0.45 -0.55 8.24 7.18 3h2iA1 VAL 225 HA 0.02 0.15 0.60 -0.75 4.13 4.15 3h2iA1 VAL 225 HB 0.04 -0.08 -0.08 -0.04 2.12 1.96 3h2iA1 VAL 225 HG13 0.05 -0.00 -0.44 -0.04 0.97 0.54 3h2iA1 VAL 225 HG23 0.02 0.00 -0.04 -0.04 0.95 0.89 3h2iA1 GLY 226 H 0.03 0.16 0.02 -0.55 8.43 8.10 3h2iA1 GLY 226 HA2 0.04 0.15 0.27 -0.51 4.01 3.96 3h2iA1 GLY 226 HA3 0.05 -0.00 0.40 -0.51 4.01 3.95 3h2iA1 GLU 227 H 0.05 0.14 0.16 -0.55 8.60 8.41 3h2iA1 GLU 227 HA 0.07 0.20 0.71 -0.75 4.29 4.52 3h2iA1 GLU 227 HB2 0.03 0.10 0.15 -0.04 2.09 2.33 3h2iA1 GLU 227 HB3 0.02 -0.11 0.23 -0.04 1.99 2.09 3h2iA1 GLU 227 HG2 -0.01 -0.15 -0.26 -0.04 2.34 1.88 3h2iA1 GLU 227 HG3 0.03 0.20 0.04 -0.04 2.34 2.57 3h2iA1 TRP 228 H 0.22 0.68 0.30 -0.55 7.97 8.63 3h2iA1 TRP 228 HA -0.11 0.09 0.51 -0.75 4.62 4.36 3h2iA1 TRP 228 HB2 -0.03 0.01 -0.05 -0.04 3.23 3.12 3h2iA1 TRP 228 HB3 -0.05 0.05 0.12 -0.04 3.23 3.31 3h2iA1 TRP 228 HD1 -0.09 0.24 0.16 -0.04 7.22 7.49 3h2iA1 TRP 228 HE1 -0.14 0.42 0.15 -0.04 10.20 10.58 3h2iA1 TRP 228 HE3 0.00 0.09 0.00 -0.04 7.59 7.65 3h2iA1 TRP 228 HZ2 -0.49 -0.00 -0.08 -0.04 7.44 6.83 3h2iA1 TRP 228 HZ3 0.11 0.09 -0.06 -0.04 7.13 7.23 3h2iA1 TRP 228 HH2 -0.79 0.01 -0.06 -0.04 7.19 6.32 3h2iA1 THR 229 H -0.20 0.52 -0.29 -0.55 8.28 7.77 3h2iA1 THR 229 HA -0.19 0.06 0.34 -0.75 4.39 3.84 3h2iA1 THR 229 HB -1.31 -0.09 0.10 -0.04 4.32 2.97 3h2iA1 THR 229 HG23 -0.21 0.02 -0.00 -0.04 1.22 0.99 3h2iA1 PHE 230 H -0.75 0.09 -0.14 -0.55 8.34 6.99 3h2iA1 PHE 230 HA -0.26 0.22 0.78 -0.75 4.62 4.60 3h2iA1 PHE 230 HB2 -0.44 0.03 0.03 -0.04 3.15 2.73 3h2iA1 PHE 230 HB3 -0.31 -0.00 0.15 -0.04 3.06 2.85 3h2iA1 PHE 230 HD2 -0.48 0.05 -0.03 -0.04 7.28 6.77 3h2iA1 PHE 230 HE2 -1.18 0.09 -0.14 -0.04 7.38 6.12 3h2iA1 PHE 230 HZ -2.02 0.03 -0.07 -0.04 7.32 5.21 3h2iA1 GLY 231 H -0.70 0.58 -0.35 -0.55 8.43 7.42 3h2iA1 GLY 231 HA2 -2.02 -0.01 0.30 -0.51 4.01 1.77 3h2iA1 GLY 231 HA3 -1.14 0.24 0.30 -0.51 4.01 2.90 3h2iA1 ILE 232 H -0.26 0.18 -0.24 -0.55 8.25 7.38 3h2iA1 ILE 232 HA -0.13 0.12 0.44 -0.75 4.18 3.86 3h2iA1 ILE 232 HB -0.29 -0.01 -0.02 -0.04 1.89 1.54 3h2iA1 ILE 232 HG12 -0.24 -0.14 -0.08 -0.04 1.49 0.99 3h2iA1 ILE 232 HG13 -0.43 0.27 -0.33 -0.04 1.21 0.68 3h2iA1 ILE 232 HG23 -0.93 0.03 -0.16 -0.04 0.93 -0.17 3h2iA1 ILE 232 HD13 -0.43 0.00 -0.08 -0.04 0.88 0.33 3h2iA1 LEU 233 H -0.12 0.14 -0.18 -0.55 8.37 7.66 3h2iA1 LEU 233 HA 0.07 0.13 0.42 -0.75 4.35 4.22 3h2iA1 LEU 233 HB2 -0.02 0.07 0.15 -0.04 1.64 1.79 3h2iA1 LEU 233 HB3 0.07 -0.04 -0.00 -0.04 1.64 1.63 3h2iA1 LEU 233 HG 0.04 0.00 -0.01 -0.04 1.64 1.63 3h2iA1 LEU 233 HD13 0.13 -0.02 0.00 -0.04 0.93 1.01 3h2iA1 LEU 233 HD23 0.09 0.02 -0.12 -0.04 0.89 0.83 3h2iA1 LEU 234 H -0.16 0.50 -0.04 -0.55 8.37 8.12 3h2iA1 LEU 234 HA 0.07 0.05 0.46 -0.75 4.35 4.17 3h2iA1 LEU 234 HB2 -0.28 0.06 0.00 -0.04 1.64 1.38 3h2iA1 LEU 234 HB3 0.16 -0.00 -0.03 -0.04 1.64 1.73 3h2iA1 LEU 234 HG -0.14 0.11 0.00 -0.04 1.64 1.57 3h2iA1 LEU 234 HD13 -0.14 -0.01 -0.08 -0.04 0.93 0.66 3h2iA1 LEU 234 HD23 0.08 -0.01 -0.06 -0.04 0.89 0.85 3h2iA1 GLY 235 H 0.06 0.63 -0.15 -0.55 8.43 8.43 3h2iA1 GLY 235 HA2 0.95 0.03 0.42 -0.51 4.01 4.90 3h2iA1 GLY 235 HA3 0.63 0.17 0.31 -0.51 4.01 4.61 3h2iA1 SER 236 H 0.18 0.43 -0.30 -0.55 8.46 8.22 3h2iA1 SER 236 HA 0.51 0.02 0.40 -0.75 4.49 4.67 3h2iA1 SER 236 HB2 -0.01 0.08 0.08 -0.04 3.95 4.06 3h2iA1 SER 236 HB3 0.26 -0.04 0.00 -0.04 3.93 4.12 3h2iA1 TYR 237 H -0.31 0.34 -0.29 -0.55 8.29 7.49 3h2iA1 TYR 237 HA -0.82 0.10 0.42 -0.75 4.56 3.50 3h2iA1 TYR 237 HB2 -0.91 0.17 0.14 -0.04 3.06 2.42 3h2iA1 TYR 237 HB3 -0.46 0.02 0.08 -0.04 2.98 2.57 3h2iA1 TYR 237 HD2 -0.22 -0.05 0.03 -0.04 7.15 6.86 3h2iA1 TYR 237 HE2 0.12 0.00 -0.25 -0.04 6.85 6.68 3h2iA1 ALA 238 H 0.32 0.48 -0.24 -0.55 8.40 8.41 3h2iA1 ALA 238 HA 0.42 0.03 0.34 -0.75 4.34 4.37 3h2iA1 ALA 238 HB3 0.43 0.02 0.05 -0.04 1.41 1.87 3h2iA1 ILE 239 H 0.11 0.67 -0.13 -0.55 8.25 8.35 3h2iA1 ILE 239 HA -0.37 -0.01 0.36 -0.75 4.18 3.40 3h2iA1 ILE 239 HB 0.22 0.06 0.14 -0.04 1.89 2.27 3h2iA1 ILE 239 HG12 -1.61 -0.09 -0.02 -0.04 1.49 -0.26 3h2iA1 ILE 239 HG13 -0.54 0.19 0.07 -0.04 1.21 0.89 3h2iA1 ILE 239 HG23 -0.11 -0.02 -0.19 -0.04 0.93 0.57 3h2iA1 ILE 239 HD13 -0.08 -0.02 -0.12 -0.04 0.88 0.62 3h2iA1 VAL 240 H 0.20 0.66 -0.09 -0.55 8.24 8.46 3h2iA1 VAL 240 HA 0.11 -0.05 0.40 -0.75 4.13 3.84 3h2iA1 VAL 240 HB 0.25 0.10 0.22 -0.04 2.12 2.65 3h2iA1 VAL 240 HG13 0.19 0.01 -0.04 -0.04 0.97 1.09 3h2iA1 VAL 240 HG23 0.24 0.02 -0.04 -0.04 0.95 1.13 3h2iA1 ALA 241 H 0.27 0.70 -0.05 -0.55 8.40 8.76 3h2iA1 ALA 241 HA 0.35 0.05 0.46 -0.75 4.34 4.45 3h2iA1 ALA 241 HB3 0.30 -0.02 0.22 -0.04 1.41 1.87 3h2iA1 MET 242 H 0.18 0.69 -0.14 -0.55 8.47 8.65 3h2iA1 MET 242 HA 0.22 0.00 0.42 -0.75 4.52 4.41 3h2iA1 MET 242 HB2 0.27 0.12 0.13 -0.04 2.15 2.62 3h2iA1 MET 242 HB3 0.29 -0.11 0.01 -0.04 2.03 2.18 3h2iA1 MET 242 HG2 0.25 0.18 0.05 -0.04 2.63 3.07 3h2iA1 MET 242 HG3 0.27 -0.07 -0.09 -0.04 2.56 2.63 3h2iA1 MET 242 HE3 0.06 0.00 -0.16 -0.04 2.10 1.96 3h2iA1 GLN 243 H -0.05 0.52 -0.34 -0.55 8.47 8.06 3h2iA1 GLN 243 HA -0.16 -0.19 0.55 -0.75 4.36 3.81 3h2iA1 GLN 243 HB2 -0.47 -0.05 0.10 -0.04 2.15 1.69 3h2iA1 GLN 243 HB3 -0.37 0.29 0.23 -0.04 2.02 2.13 3h2iA1 GLN 243 HG2 -1.36 -0.03 -0.05 -0.04 2.40 0.92 3h2iA1 GLN 243 HG3 -0.43 0.10 -0.20 -0.04 2.39 1.81 3h2iA1 GLN 243 HE21 -0.19 0.10 -0.05 -0.04 6.97 6.79 3h2iA1 GLN 243 HE22 -0.22 0.08 -0.04 -0.04 7.69 7.47 3h2iA1 HIS 244 H -0.30 0.52 -0.02 -0.55 8.41 8.06 3h2iA1 HIS 244 HA -0.32 0.03 0.37 -0.75 4.63 3.95 3h2iA1 HIS 244 HB2 -0.78 0.13 0.12 -0.04 3.26 2.69 3h2iA1 HIS 244 HB3 -1.95 -0.08 -0.04 -0.04 3.20 1.09 3h2iA1 HIS 244 HD2 0.05 -0.02 -0.05 -0.04 6.97 6.90 3h2iA1 HIS 244 HE1 -0.00 -0.05 -0.01 -0.04 7.75 7.64 3h2iA1 THR 245 H -0.07 0.38 -0.27 -0.55 8.28 7.76 3h2iA1 THR 245 HA -0.06 0.03 0.50 -0.75 4.39 4.10 3h2iA1 THR 245 HB -0.21 0.03 0.13 -0.04 4.32 4.23 3h2iA1 THR 245 HG23 -0.90 -0.02 -0.13 -0.04 1.22 0.13 3h2iA1 TYR 246 H 0.04 0.59 0.07 -0.55 8.29 8.43 3h2iA1 TYR 246 HA 0.01 0.21 0.87 -0.75 4.56 4.89 3h2iA1 TYR 246 HB2 0.00 -0.01 0.07 -0.04 3.06 3.09 3h2iA1 TYR 246 HB3 0.01 -0.02 0.05 -0.04 2.98 2.98 3h2iA1 TYR 246 HD2 0.04 0.07 0.05 -0.04 7.15 7.27 3h2iA1 TYR 246 HE2 0.10 0.01 -0.02 -0.04 6.85 6.90 3h2iA1 LYS 247 H -0.02 0.42 0.02 -0.55 8.42 8.29 3h2iA1 LYS 247 HA -0.11 0.02 0.41 -0.75 4.32 3.88 3h2iA1 LYS 247 HB2 -0.00 0.11 -0.23 -0.04 1.87 1.71 3h2iA1 LYS 247 HB3 -0.03 -0.08 0.19 -0.04 1.79 1.83 3h2iA1 LYS 247 HG2 -0.06 -0.05 0.03 -0.04 1.46 1.34 3h2iA1 LYS 247 HG3 -0.05 0.13 -0.23 -0.04 1.46 1.27 3h2iA1 LYS 247 HD2 -0.01 0.00 -0.10 -0.04 1.69 1.54 3h2iA1 LYS 247 HD3 -0.01 -0.07 -0.01 -0.04 1.68 1.54 3h2iA1 LYS 247 HE2 -0.01 -0.08 0.00 -0.04 2.99 2.86 3h2iA1 LYS 247 HE3 -0.02 -0.06 0.01 -0.04 2.99 2.88 3h2iA1 ASN 248 H 0.01 -0.00 -0.22 -0.55 8.53 7.77 3h2iA1 ASN 248 HA -0.00 0.26 0.88 -0.75 4.76 5.15 3h2iA1 ASN 248 HB2 0.02 -0.02 0.11 -0.04 2.88 2.94 3h2iA1 ASN 248 HB3 0.05 0.19 -0.15 -0.04 2.79 2.84 3h2iA1 ASN 248 HD21 -0.07 0.08 -0.04 -0.04 7.03 6.95 3h2iA1 ASN 248 HD22 -0.02 0.02 -0.02 -0.04 7.74 7.68 3h2iA1 ILE 249 H -0.14 0.03 -0.02 -0.55 8.25 7.56 3h2iA1 ILE 249 HA 0.03 0.17 0.78 -0.75 4.18 4.41 3h2iA1 ILE 249 HB -0.35 0.01 0.03 -0.04 1.89 1.54 3h2iA1 ILE 249 HG12 0.12 -0.06 -0.28 -0.04 1.49 1.22 3h2iA1 ILE 249 HG13 -0.00 -0.07 -0.18 -0.04 1.21 0.91 3h2iA1 ILE 249 HG23 0.00 -0.02 -0.12 -0.04 0.93 0.76 3h2iA1 ILE 249 HD13 0.07 0.03 -0.08 -0.04 0.88 0.86 3h2iA1 TYR 250 H -0.40 0.17 -0.00 -0.55 8.29 7.51 3h2iA1 TYR 250 HA -0.01 0.19 0.57 -0.75 4.56 4.55 3h2iA1 TYR 250 HB2 -0.02 -0.06 -0.01 -0.04 3.06 2.93 3h2iA1 TYR 250 HB3 -0.08 0.11 -0.24 -0.04 2.98 2.72 3h2iA1 TYR 250 HD2 -0.09 0.03 -0.55 -0.04 7.15 6.50 3h2iA1 TYR 250 HE2 0.02 0.05 -0.15 -0.04 6.85 6.73 3h2iA1 LEU 251 H 0.15 0.12 0.13 -0.55 8.37 8.23 3h2iA1 LEU 251 HA 0.08 0.18 0.55 -0.75 4.35 4.40 3h2iA1 LEU 251 HB2 0.07 -0.03 0.14 -0.04 1.64 1.78 3h2iA1 LEU 251 HB3 0.06 -0.00 -0.01 -0.04 1.64 1.65 3h2iA1 LEU 251 HG 0.04 0.02 0.05 -0.04 1.64 1.71 3h2iA1 LEU 251 HD13 0.04 0.02 -0.02 -0.04 0.93 0.93 3h2iA1 LEU 251 HD23 0.03 -0.00 0.00 -0.04 0.89 0.88 3h2iA1 GLU 252 H 0.15 0.10 0.07 -0.55 8.60 8.37 3h2iA1 GLU 252 HA 0.12 0.25 0.50 -0.75 4.29 4.41 3h2iA1 GLU 252 HB2 -0.01 0.02 0.07 -0.04 2.09 2.13 3h2iA1 GLU 252 HB3 0.04 0.19 -0.07 -0.04 1.99 2.11 3h2iA1 GLU 252 HG2 0.01 0.10 -0.07 -0.04 2.34 2.34 3h2iA1 GLU 252 HG3 0.02 -0.08 -0.05 -0.04 2.34 2.20 3h2iA1 PRO 253 HA -0.96 0.03 0.38 -0.51 4.44 3.39 3h2iA1 PRO 253 HB2 -0.12 -0.01 -0.03 -0.04 2.28 2.08 3h2iA1 PRO 253 HB3 -0.18 0.05 0.18 -0.04 2.02 2.04 3h2iA1 PRO 253 HG2 -0.06 0.13 0.09 -0.04 2.03 2.15 3h2iA1 PRO 253 HG3 -0.12 0.04 0.10 -0.04 2.03 2.01 3h2iA1 PRO 253 HD2 -0.06 0.12 0.14 -0.04 3.68 3.83 3h2iA1 PRO 253 HD3 0.02 0.22 0.18 -0.04 3.65 4.03 3h2iA1 GLY 254 H -0.11 0.09 -0.49 -0.55 8.43 7.37 3h2iA1 GLY 254 HA2 -0.03 0.22 0.39 -0.51 4.01 4.09 3h2iA1 GLY 254 HA3 -0.04 0.02 0.26 -0.51 4.01 3.74 3h2iA1 GLN 255 H -0.11 0.44 -0.12 -0.55 8.47 8.14 3h2iA1 GLN 255 HA -0.00 0.09 0.52 -0.75 4.36 4.22 3h2iA1 GLN 255 HB2 0.02 0.01 0.08 -0.04 2.15 2.21 3h2iA1 GLN 255 HB3 0.03 0.03 0.14 -0.04 2.02 2.18 3h2iA1 GLN 255 HG2 0.02 0.04 0.04 -0.04 2.40 2.46 3h2iA1 GLN 255 HG3 0.01 0.02 0.14 -0.04 2.39 2.52 3h2iA1 GLN 255 HE21 0.05 0.05 0.04 -0.04 6.97 7.06 3h2iA1 GLN 255 HE22 0.04 0.03 0.03 -0.04 7.69 7.76 3h2iA1 VAL 256 H -0.21 0.26 -0.25 -0.55 8.24 7.49 3h2iA1 VAL 256 HA -0.36 0.15 1.01 -0.75 4.13 4.18 3h2iA1 VAL 256 HB -0.61 0.04 0.08 -0.04 2.12 1.59 3h2iA1 VAL 256 HG13 -1.54 -0.01 -0.14 -0.04 0.97 -0.76 3h2iA1 VAL 256 HG23 -0.41 -0.02 -0.19 -0.04 0.95 0.28 3h2iA1 PHE 257 H -0.01 0.57 0.28 -0.55 8.34 8.62 3h2iA1 PHE 257 HA -0.14 0.20 1.04 -0.75 4.62 4.96 3h2iA1 PHE 257 HB2 -0.14 -0.10 0.07 -0.04 3.15 2.94 3h2iA1 PHE 257 HB3 -0.30 0.07 0.06 -0.04 3.06 2.85 3h2iA1 PHE 257 HD2 -0.62 0.09 0.04 -0.04 7.28 6.75 3h2iA1 PHE 257 HE2 0.15 -0.01 -0.05 -0.04 7.38 7.42 3h2iA1 PHE 257 HZ 0.12 0.00 -0.01 -0.04 7.32 7.40 3h2iA1 GLN 258 H 0.03 0.91 0.35 -0.55 8.47 9.22 3h2iA1 GLN 258 HA 0.06 0.07 0.61 -0.75 4.36 4.35 3h2iA1 GLN 258 HB2 0.22 0.19 0.13 -0.04 2.15 2.65 3h2iA1 GLN 258 HB3 0.11 -0.04 0.15 -0.04 2.02 2.20 3h2iA1 GLN 258 HG2 0.07 -0.12 -0.16 -0.04 2.40 2.14 3h2iA1 GLN 258 HG3 0.08 0.02 -0.73 -0.04 2.39 1.71 3h2iA1 GLN 258 HE21 0.05 -0.05 0.03 -0.04 6.97 6.96 3h2iA1 GLN 258 HE22 0.06 0.37 -0.31 -0.04 7.69 7.78 3h2iA1 ASP 259 H -0.01 0.14 0.19 -0.55 8.40 8.18 3h2iA1 ASP 259 HA -0.17 -0.09 0.54 -0.75 4.63 4.15 3h2iA1 ASP 259 HB2 -0.17 0.05 0.07 -0.04 2.71 2.63 3h2iA1 ASP 259 HB3 -0.09 -0.00 0.11 -0.04 2.70 2.67 3h2iA1 PRO 260 HA -0.30 -0.01 0.34 -0.51 4.44 3.96 3h2iA1 PRO 260 HB2 -0.37 0.04 0.11 -0.04 2.28 2.03 3h2iA1 PRO 260 HB3 -0.34 0.02 0.09 -0.04 2.02 1.75 3h2iA1 PRO 260 HG2 -1.29 0.07 -0.07 -0.04 2.03 0.70 3h2iA1 PRO 260 HG3 -0.65 0.05 0.05 -0.04 2.03 1.44 3h2iA1 PRO 260 HD2 -1.78 0.15 0.38 -0.04 3.68 2.38 3h2iA1 PRO 260 HD3 -0.57 0.10 0.05 -0.04 3.65 3.20 3h2iA1 TRP 261 H -0.93 0.32 -0.13 -0.55 7.97 6.69 3h2iA1 TRP 261 HA -0.05 0.10 0.43 -0.75 4.62 4.35 3h2iA1 TRP 261 HB2 -0.20 0.08 0.08 -0.04 3.23 3.15 3h2iA1 TRP 261 HB3 0.08 -0.03 0.03 -0.04 3.23 3.27 3h2iA1 TRP 261 HD1 -0.08 0.14 -0.06 -0.04 7.22 7.17 3h2iA1 TRP 261 HE1 0.06 0.12 -0.04 -0.04 10.20 10.30 3h2iA1 TRP 261 HE3 0.04 -0.01 0.01 -0.04 7.59 7.59 3h2iA1 TRP 261 HZ2 0.01 -0.01 -0.01 -0.04 7.44 7.39 3h2iA1 TRP 261 HZ3 -0.02 0.27 0.01 -0.04 7.13 7.35 3h2iA1 TRP 261 HH2 -0.02 0.01 -0.06 -0.04 7.19 7.08 3h2iA1 ALA 262 H 0.06 0.56 -0.12 -0.55 8.40 8.35 3h2iA1 ALA 262 HA -0.12 0.01 0.27 -0.75 4.34 3.74 3h2iA1 ALA 262 HB3 -0.02 0.03 -0.24 -0.04 1.41 1.15 3h2iA1 ALA 263 H -0.08 0.13 -0.47 -0.55 8.40 7.43 3h2iA1 ALA 263 HA -0.06 0.06 0.46 -0.75 4.34 4.04 3h2iA1 ALA 263 HB3 -0.07 0.02 0.06 -0.04 1.41 1.38 3h2iA1 LYS 264 H -0.05 0.81 -0.16 -0.55 8.42 8.47 3h2iA1 LYS 264 HA -0.05 0.19 1.00 -0.75 4.32 4.71 3h2iA1 LYS 264 HB2 -0.03 -0.05 0.11 -0.04 1.87 1.85 3h2iA1 LYS 264 HB3 -0.04 -0.01 -0.07 -0.04 1.79 1.63 3h2iA1 LYS 264 HG2 0.06 0.11 0.18 -0.04 1.46 1.77 3h2iA1 LYS 264 HG3 0.10 -0.04 -0.17 -0.04 1.46 1.30 3h2iA1 LYS 264 HD2 0.27 0.06 -0.03 -0.04 1.69 1.94 3h2iA1 LYS 264 HD3 0.04 -0.04 -0.02 -0.04 1.68 1.62 3h2iA1 LYS 264 HE2 -0.21 0.10 -0.24 -0.04 2.99 2.60 3h2iA1 LYS 264 HE3 -0.13 -0.04 -0.06 -0.04 2.99 2.73 3h2iA1 VAL 265 H -0.11 0.33 0.01 -0.55 8.24 7.92 3h2iA1 VAL 265 HA -0.07 0.07 0.40 -0.75 4.13 3.77 3h2iA1 VAL 265 HB -0.43 0.02 -0.04 -0.04 2.12 1.62 3h2iA1 VAL 265 HG13 -0.54 0.08 0.06 -0.04 0.97 0.53 3h2iA1 VAL 265 HG23 -0.29 -0.01 -0.08 -0.04 0.95 0.52 3h2iA1 GLU 266 H -0.05 0.15 -0.04 -0.55 8.60 8.12 3h2iA1 GLU 266 HA 0.15 0.07 0.43 -0.75 4.29 4.18 3h2iA1 GLU 266 HB2 0.05 0.04 0.06 -0.04 2.09 2.21 3h2iA1 GLU 266 HB3 0.16 0.06 0.02 -0.04 1.99 2.19 3h2iA1 GLU 266 HG2 0.12 -0.02 0.04 -0.04 2.34 2.44 3h2iA1 GLU 266 HG3 0.02 -0.03 0.09 -0.04 2.34 2.38 3h2iA1 PRO 267 HA -0.01 0.15 0.44 -0.51 4.44 4.51 3h2iA1 PRO 267 HB2 -0.07 0.04 -0.04 -0.04 2.28 2.18 3h2iA1 PRO 267 HB3 -0.03 -0.01 0.10 -0.04 2.02 2.03 3h2iA1 PRO 267 HG2 -0.03 0.09 0.04 -0.04 2.03 2.09 3h2iA1 PRO 267 HG3 -0.01 0.02 -0.00 -0.04 2.03 2.00 3h2iA1 PRO 267 HD2 -0.05 0.18 -0.50 -0.04 3.68 3.26 3h2iA1 PRO 267 HD3 -0.01 -0.02 -0.05 -0.04 3.65 3.53 3h2iA1 LEU 268 H -0.20 0.30 -0.66 -0.55 8.37 7.27 3h2iA1 LEU 268 HA -0.32 -0.04 0.55 -0.75 4.35 3.78 3h2iA1 LEU 268 HB2 -0.91 0.24 0.07 -0.04 1.64 1.00 3h2iA1 LEU 268 HB3 -1.10 -0.16 -0.01 -0.04 1.64 0.33 3h2iA1 LEU 268 HG -0.22 0.35 0.03 -0.04 1.64 1.76 3h2iA1 LEU 268 HD13 -0.20 -0.05 -0.10 -0.04 0.93 0.55 3h2iA1 LEU 268 HD23 -0.21 -0.05 -0.05 -0.04 0.89 0.53 3h2iA1 PHE 269 H -0.07 0.40 -0.22 -0.55 8.34 7.89 3h2iA1 PHE 269 HA -0.40 0.10 1.16 -0.75 4.62 4.73 3h2iA1 PHE 269 HB2 -0.03 0.05 0.21 -0.04 3.15 3.34 3h2iA1 PHE 269 HB3 -0.73 -0.07 0.11 -0.04 3.06 2.34 3h2iA1 PHE 269 HD2 -0.58 0.07 -0.06 -0.04 7.28 6.66 3h2iA1 PHE 269 HE2 -0.12 -0.08 -0.08 -0.04 7.38 7.06 3h2iA1 PHE 269 HZ -0.07 -0.07 -0.04 -0.04 7.32 7.10 3h2iA1 PRO 270 HA -0.09 0.13 0.53 -0.51 4.44 4.50 3h2iA1 PRO 270 HB2 0.07 -0.08 0.01 -0.04 2.28 2.24 3h2iA1 PRO 270 HB3 0.21 -0.01 0.07 -0.04 2.02 2.24 3h2iA1 PRO 270 HG2 0.11 0.05 0.01 -0.04 2.03 2.16 3h2iA1 PRO 270 HG3 0.20 0.17 0.04 -0.04 2.03 2.40 3h2iA1 PRO 270 HD2 0.24 0.14 0.52 -0.04 3.68 4.54 3h2iA1 PRO 270 HD3 0.43 -0.09 0.20 -0.04 3.65 4.14 3h2iA1 GLY 271 H -0.07 0.63 0.42 -0.55 8.43 8.86 3h2iA1 GLY 271 HA2 -0.04 0.18 0.63 -0.51 4.01 4.27 3h2iA1 GLY 271 HA3 -0.11 0.16 0.50 -0.51 4.01 4.06 3h2iA1 LYS 272 H -0.08 0.27 0.19 -0.55 8.42 8.25 3h2iA1 LYS 272 HA -0.04 0.10 0.67 -0.75 4.32 4.30 3h2iA1 LYS 272 HB2 -0.05 0.04 0.09 -0.04 1.87 1.91 3h2iA1 LYS 272 HB3 -0.04 -0.01 0.18 -0.04 1.79 1.88 3h2iA1 LYS 272 HG2 -0.04 0.03 0.03 -0.04 1.46 1.45 3h2iA1 LYS 272 HG3 -0.03 0.03 0.04 -0.04 1.46 1.46 3h2iA1 LYS 272 HD2 -0.02 -0.03 0.05 -0.04 1.69 1.65 3h2iA1 LYS 272 HD3 -0.02 -0.00 -0.07 -0.04 1.68 1.55 3h2iA1 LYS 272 HE2 -0.02 -0.00 0.01 -0.04 2.99 2.93 3h2iA1 LYS 272 HE3 -0.02 -0.00 -0.01 -0.04 2.99 2.92 3h2iA1 GLN 273 H -0.10 0.21 -0.28 -0.55 8.47 7.76 3h2iA1 GLN 273 HA -0.04 0.17 1.00 -0.75 4.36 4.73 3h2iA1 GLN 273 HB2 -0.12 0.06 0.00 -0.04 2.15 2.05 3h2iA1 GLN 273 HB3 -0.07 -0.02 -0.04 -0.04 2.02 1.85 3h2iA1 GLN 273 HG2 -0.04 -0.00 -0.02 -0.04 2.40 2.30 3h2iA1 GLN 273 HG3 -0.06 0.01 -0.35 -0.04 2.39 1.94 3h2iA1 GLN 273 HE21 -0.03 0.07 -0.14 -0.04 6.97 6.82 3h2iA1 GLN 273 HE22 -0.03 -0.09 -0.18 -0.04 7.69 7.36 3h2iA1 SER 274 H -0.02 0.14 0.16 -0.55 8.46 8.19 3h2iA1 SER 274 HA -0.01 0.05 0.62 -0.75 4.49 4.39 3h2iA1 SER 274 HB2 -0.00 0.00 0.19 -0.04 3.95 4.10 3h2iA1 SER 274 HB3 -0.01 0.16 0.13 -0.04 3.93 4.16 3h2iA1 LEU 275 H 0.01 0.15 0.19 -0.55 8.37 8.17 3h2iA1 LEU 275 HA 0.03 0.18 0.38 -0.75 4.35 4.18 3h2iA1 LEU 275 HB2 -0.03 -0.01 0.14 -0.04 1.64 1.70 3h2iA1 LEU 275 HB3 -0.08 0.03 -0.02 -0.04 1.64 1.53 3h2iA1 LEU 275 HG 0.08 -0.06 -0.00 -0.04 1.64 1.62 3h2iA1 LEU 275 HD13 0.01 0.02 -0.06 -0.04 0.93 0.87 3h2iA1 LEU 275 HD23 0.12 0.03 -0.05 -0.04 0.89 0.94 3h2iA1 THR 276 H -0.01 0.06 -0.17 -0.55 8.28 7.62 3h2iA1 THR 276 HA 0.05 0.09 0.40 -0.75 4.39 4.18 3h2iA1 THR 276 HB 0.02 -0.03 0.04 -0.04 4.32 4.31 3h2iA1 THR 276 HG23 0.07 0.04 -0.08 -0.04 1.22 1.20 3h2iA1 ASP 277 H 0.01 0.01 -0.29 -0.55 8.40 7.58 3h2iA1 ASP 277 HA 0.02 0.09 0.39 -0.75 4.63 4.38 3h2iA1 ASP 277 HB2 -0.02 0.10 0.17 -0.04 2.71 2.93 3h2iA1 ASP 277 HB3 -0.01 0.11 0.00 -0.04 2.70 2.76 3h2iA1 MET 278 H 0.01 0.41 -0.16 -0.55 8.47 8.18 3h2iA1 MET 278 HA -0.01 0.04 0.27 -0.75 4.52 4.06 3h2iA1 MET 278 HB2 0.04 0.07 0.09 -0.04 2.15 2.31 3h2iA1 MET 278 HB3 0.01 -0.03 -0.07 -0.04 2.03 1.90 3h2iA1 MET 278 HG2 -0.09 0.03 -0.05 -0.04 2.63 2.48 3h2iA1 MET 278 HG3 -0.07 0.03 -0.08 -0.04 2.56 2.40 3h2iA1 MET 278 HE3 -0.38 0.02 -0.13 -0.04 2.10 1.57 3h2iA1 PHE 279 H 0.18 0.43 -0.24 -0.55 8.34 8.16 3h2iA1 PHE 279 HA 0.00 0.05 0.46 -0.75 4.62 4.38 3h2iA1 PHE 279 HB2 0.00 -0.03 0.10 -0.04 3.15 3.18 3h2iA1 PHE 279 HB3 0.01 0.03 0.16 -0.04 3.06 3.21 3h2iA1 PHE 279 HD2 0.12 0.01 -0.04 -0.04 7.28 7.33 3h2iA1 PHE 279 HE2 0.18 0.00 -0.02 -0.04 7.38 7.50 3h2iA1 PHE 279 HZ 0.28 -0.03 -0.00 -0.04 7.32 7.53 3h2iA1 LEU 280 H 0.13 0.58 -0.01 -0.55 8.37 8.53 3h2iA1 LEU 280 HA -0.10 0.03 0.50 -0.75 4.35 4.03 3h2iA1 LEU 280 HB2 0.05 0.11 0.20 -0.04 1.64 1.96 3h2iA1 LEU 280 HB3 0.02 -0.01 0.00 -0.04 1.64 1.62 3h2iA1 LEU 280 HG 0.09 -0.03 0.02 -0.04 1.64 1.67 3h2iA1 LEU 280 HD13 0.11 -0.00 0.03 -0.04 0.93 1.02 3h2iA1 LEU 280 HD23 0.29 0.02 0.05 -0.04 0.89 1.21 3h2iA1 ASN 281 H -0.02 0.61 -0.07 -0.55 8.53 8.50 3h2iA1 ASN 281 HA -0.03 0.14 0.65 -0.75 4.76 4.75 3h2iA1 ASN 281 HB2 -0.01 -0.01 0.09 -0.04 2.88 2.91 3h2iA1 ASN 281 HB3 -0.01 -0.05 0.05 -0.04 2.79 2.73 3h2iA1 ASN 281 HD21 -0.01 -0.04 -0.11 -0.04 7.03 6.83 3h2iA1 ASN 281 HD22 -0.01 0.02 -0.04 -0.04 7.74 7.67 3h2iA1 ASP 282 H -0.12 0.20 -0.80 -0.55 8.40 7.13 3h2iA1 ASP 282 HA -0.13 0.07 0.34 -0.75 4.63 4.15 3h2iA1 ASP 282 HB2 -0.05 0.03 -0.26 -0.04 2.71 2.39 3h2iA1 ASP 282 HB3 -0.06 -0.04 0.10 -0.04 2.70 2.65 3h2iA1 THR 283 H -0.03 0.40 -0.08 -0.55 8.28 8.03 3h2iA1 THR 283 HA 0.05 0.09 0.33 -0.75 4.39 4.11 3h2iA1 THR 283 HB -0.02 -0.10 0.02 -0.04 4.32 4.17 3h2iA1 THR 283 HG23 -0.00 -0.00 -0.09 -0.04 1.22 1.08 3h2iA1 LEU 284 H -0.10 0.11 -0.25 -0.55 8.37 7.58 3h2iA1 LEU 284 HA -0.47 0.22 0.77 -0.75 4.35 4.12 3h2iA1 LEU 284 HB2 -0.23 -0.11 -0.13 -0.04 1.64 1.13 3h2iA1 LEU 284 HB3 -0.61 0.05 -0.04 -0.04 1.64 0.99 3h2iA1 LEU 284 HG -0.03 -0.11 -0.35 -0.04 1.64 1.11 3h2iA1 LEU 284 HD13 0.10 -0.02 -0.14 -0.04 0.93 0.83 3h2iA1 LEU 284 HD23 0.11 0.09 -0.11 -0.04 0.89 0.93 3h2iA1 PRO 285 HA -0.27 0.07 0.44 -0.51 4.44 4.16 3h2iA1 PRO 285 HB2 -0.34 0.05 -0.03 -0.04 2.28 1.92 3h2iA1 PRO 285 HB3 -0.34 0.05 0.06 -0.04 2.02 1.76 3h2iA1 PRO 285 HG2 -1.02 -0.03 -0.05 -0.04 2.03 0.88 3h2iA1 PRO 285 HG3 -0.91 0.09 -0.02 -0.04 2.03 1.15 3h2iA1 PRO 285 HD2 -1.49 0.04 0.15 -0.04 3.68 2.34 3h2iA1 PRO 285 HD3 -2.80 0.19 0.10 -0.04 3.65 1.09 3h2iA1 SER 286 H -0.17 0.10 0.16 -0.55 8.46 8.01 3h2iA1 SER 286 HA -0.12 0.13 0.53 -0.75 4.49 4.27 3h2iA1 SER 286 HB2 -0.06 -0.08 0.15 -0.04 3.95 3.92 3h2iA1 SER 286 HB3 -0.10 0.12 0.16 -0.04 3.93 4.07 3h2iA1 ILE 287 H -0.08 0.19 0.21 -0.55 8.25 8.02 3h2iA1 ILE 287 HA -0.13 0.10 0.29 -0.75 4.18 3.69 3h2iA1 ILE 287 HB -0.09 0.05 0.17 -0.04 1.89 1.98 3h2iA1 ILE 287 HG12 0.11 0.12 0.05 -0.04 1.49 1.72 3h2iA1 ILE 287 HG13 0.04 0.03 0.01 -0.04 1.21 1.24 3h2iA1 ILE 287 HG23 -0.02 -0.02 -0.03 -0.04 0.93 0.82 3h2iA1 ILE 287 HD13 0.07 -0.02 0.06 -0.04 0.88 0.95 3h2iA1 ASP 288 H -0.05 0.04 -0.21 -0.55 8.40 7.63 3h2iA1 ASP 288 HA -0.02 0.12 0.42 -0.75 4.63 4.40 3h2iA1 ASP 288 HB2 -0.02 0.06 0.06 -0.04 2.71 2.77 3h2iA1 ASP 288 HB3 -0.01 -0.01 0.10 -0.04 2.70 2.74 3h2iA1 LYS 289 H -0.10 0.45 -0.49 -0.55 8.42 7.73 3h2iA1 LYS 289 HA -0.06 0.16 0.76 -0.75 4.32 4.43 3h2iA1 LYS 289 HB2 -0.14 0.10 0.03 -0.04 1.87 1.83 3h2iA1 LYS 289 HB3 -0.05 -0.02 0.14 -0.04 1.79 1.83 3h2iA1 LYS 289 HG2 -0.03 0.05 -0.08 -0.04 1.46 1.37 3h2iA1 LYS 289 HG3 -0.06 -0.12 -0.11 -0.04 1.46 1.14 3h2iA1 LYS 289 HD2 -0.06 -0.07 0.04 -0.04 1.69 1.56 3h2iA1 LYS 289 HD3 0.01 0.05 0.01 -0.04 1.68 1.71 3h2iA1 LYS 289 HE2 -0.00 0.04 0.01 -0.04 2.99 2.99 3h2iA1 LYS 289 HE3 -0.01 0.03 -0.02 -0.04 2.99 2.95 3h2iA1 VAL 290 H -0.11 0.52 -0.34 -0.55 8.24 7.76 3h2iA1 VAL 290 HA -0.21 -0.00 0.36 -0.75 4.13 3.52 3h2iA1 VAL 290 HB -0.07 0.09 0.16 -0.04 2.12 2.26 3h2iA1 VAL 290 HG13 -0.13 0.05 0.01 -0.04 0.97 0.86 3h2iA1 VAL 290 HG23 -0.11 0.02 -0.03 -0.04 0.95 0.78 3h2iA1 LYS 291 H -0.17 0.17 -0.17 -0.55 8.42 7.69 3h2iA1 LYS 291 HA -0.46 0.13 0.43 -0.75 4.32 3.67 3h2iA1 LYS 291 HB2 -0.09 -0.01 0.05 -0.04 1.87 1.78 3h2iA1 LYS 291 HB3 -0.08 0.02 0.05 -0.04 1.79 1.74 3h2iA1 LYS 291 HG2 -0.29 0.03 0.02 -0.04 1.46 1.18 3h2iA1 LYS 291 HG3 -0.17 0.01 0.04 -0.04 1.46 1.29 3h2iA1 LYS 291 HD2 0.00 -0.00 0.03 -0.04 1.69 1.68 3h2iA1 LYS 291 HD3 0.03 -0.01 0.02 -0.04 1.68 1.67 3h2iA1 LYS 291 HE2 0.22 0.01 0.00 -0.04 2.99 3.18 3h2iA1 LYS 291 HE3 0.11 0.04 0.03 -0.04 2.99 3.13 3h2iA1 SER 292 H -0.07 0.28 -0.47 -0.55 8.46 7.65 3h2iA1 SER 292 HA 0.03 0.12 0.65 -0.75 4.49 4.54 3h2iA1 SER 292 HB2 0.03 0.11 0.06 -0.04 3.95 4.11 3h2iA1 SER 292 HB3 0.10 -0.02 0.10 -0.04 3.93 4.07 3h2iA1 TYR 293 H -0.04 0.25 -0.27 -0.55 8.29 7.67 3h2iA1 TYR 293 HA -0.11 0.08 0.70 -0.75 4.56 4.47 3h2iA1 TYR 293 HB2 -0.47 0.02 0.02 -0.04 3.06 2.60 3h2iA1 TYR 293 HB3 -0.60 0.08 0.20 -0.04 2.98 2.61 3h2iA1 TYR 293 HD2 -1.66 0.03 -0.02 -0.04 7.15 5.46 3h2iA1 TYR 293 HE2 -0.38 -0.02 -0.03 -0.04 6.85 6.38 3h2iA1 PHE 294 H -0.08 0.41 0.15 -0.55 8.34 8.27 3h2iA1 PHE 294 HA -0.13 0.11 0.81 -0.75 4.62 4.66 3h2iA1 PHE 294 HB2 -0.03 0.03 0.08 -0.04 3.15 3.19 3h2iA1 PHE 294 HB3 0.32 0.02 0.06 -0.04 3.06 3.42 3h2iA1 PHE 294 HD2 -0.29 0.10 -0.02 -0.04 7.28 7.03 3h2iA1 PHE 294 HE2 -0.09 -0.02 -0.08 -0.04 7.38 7.15 3h2iA1 PHE 294 HZ 0.30 -0.08 -0.11 -0.04 7.32 7.39 3h2iA1 GLN 295 H 0.17 0.71 0.18 -0.55 8.47 8.98 3h2iA1 GLN 295 HA 0.11 0.11 0.34 -0.75 4.36 4.17 3h2iA1 GLN 295 HB2 0.16 -0.03 0.07 -0.04 2.15 2.30 3h2iA1 GLN 295 HB3 0.12 -0.11 0.01 -0.04 2.02 2.00 3h2iA1 GLN 295 HG2 0.04 -0.05 -0.73 -0.04 2.40 1.62 3h2iA1 GLN 295 HG3 0.03 0.09 -0.43 -0.04 2.39 2.03 3h2iA1 GLN 295 HE21 0.02 -0.17 0.03 -0.04 6.97 6.81 3h2iA1 GLN 295 HE22 0.02 0.48 0.03 -0.04 7.69 8.18 3h2iA1 PRO 296 HA 0.21 0.12 0.40 -0.51 4.44 4.65 3h2iA1 PRO 296 HB2 0.10 -0.04 0.09 -0.04 2.28 2.39 3h2iA1 PRO 296 HB3 0.11 0.05 0.09 -0.04 2.02 2.22 3h2iA1 PRO 296 HG2 0.07 0.02 0.11 -0.04 2.03 2.19 3h2iA1 PRO 296 HG3 0.08 0.16 0.13 -0.04 2.03 2.36 3h2iA1 PRO 296 HD2 0.10 0.03 0.20 -0.04 3.68 3.97 3h2iA1 PRO 296 HD3 0.09 0.21 0.24 -0.04 3.65 4.15 3h2iA1 GLY 297 H 0.14 0.14 -0.09 -0.55 8.43 8.07 3h2iA1 GLY 297 HA2 0.12 0.06 0.39 -0.51 4.01 4.07 3h2iA1 GLY 297 HA3 0.13 0.06 0.31 -0.51 4.01 4.00 3h2iA1 PHE 298 H 0.31 0.15 -0.15 -0.55 8.34 8.09 3h2iA1 PHE 298 HA 0.11 0.01 0.43 -0.75 4.62 4.41 3h2iA1 PHE 298 HB2 0.06 0.09 0.19 -0.04 3.15 3.45 3h2iA1 PHE 298 HB3 0.10 0.12 0.19 -0.04 3.06 3.43 3h2iA1 PHE 298 HD2 0.01 0.04 0.01 -0.04 7.28 7.30 3h2iA1 PHE 298 HE2 -0.32 -0.06 -0.04 -0.04 7.38 6.92 3h2iA1 PHE 298 HZ -0.36 -0.03 -0.06 -0.04 7.32 6.83 3h2iA1 TYR 299 H 0.40 0.64 -0.14 -0.55 8.29 8.63 3h2iA1 TYR 299 HA 0.17 -0.03 0.32 -0.75 4.56 4.27 3h2iA1 TYR 299 HB2 0.20 0.06 -0.06 -0.04 3.06 3.23 3h2iA1 TYR 299 HB3 0.14 0.06 0.02 -0.04 2.98 3.16 3h2iA1 TYR 299 HD2 -0.18 -0.03 -0.06 -0.04 7.15 6.83 3h2iA1 TYR 299 HE2 -0.57 0.02 -0.02 -0.04 6.85 6.24 3h2iA1 SER 300 H 0.18 0.46 -0.27 -0.55 8.46 8.28 3h2iA1 SER 300 HA 0.02 0.09 0.65 -0.75 4.49 4.50 3h2iA1 SER 300 HB2 0.05 -0.06 0.04 -0.04 3.95 3.95 3h2iA1 SER 300 HB3 0.13 -0.00 0.07 -0.04 3.93 4.09 3h2iA1 ASP 301 H 0.04 0.55 0.05 -0.55 8.40 8.49 3h2iA1 ASP 301 HA -0.04 0.00 0.35 -0.75 4.63 4.20 3h2iA1 ASP 301 HB2 0.04 0.05 0.13 -0.04 2.71 2.89 3h2iA1 ASP 301 HB3 0.03 0.02 0.14 -0.04 2.70 2.85 3h2iA1 PHE 302 H -0.13 0.51 -0.20 -0.55 8.34 7.97 3h2iA1 PHE 302 HA -0.37 -0.06 0.34 -0.75 4.62 3.77 3h2iA1 PHE 302 HB2 -0.84 -0.01 0.07 -0.04 3.15 2.32 3h2iA1 PHE 302 HB3 -0.92 0.17 0.07 -0.04 3.06 2.34 3h2iA1 PHE 302 HD2 -1.52 -0.02 -0.08 -0.04 7.28 5.62 3h2iA1 PHE 302 HE2 -0.74 -0.04 -0.28 -0.04 7.38 6.28 3h2iA1 PHE 302 HZ -0.50 -0.04 -0.09 -0.04 7.32 6.65 3h2iA1 PRO 303 HA -0.63 0.04 0.49 -0.51 4.44 3.82 3h2iA1 PRO 303 HB2 -0.16 -0.01 0.03 -0.04 2.28 2.10 3h2iA1 PRO 303 HB3 -0.29 -0.02 0.10 -0.04 2.02 1.77 3h2iA1 PRO 303 HG2 -0.11 0.13 0.05 -0.04 2.03 2.06 3h2iA1 PRO 303 HG3 0.02 0.01 0.08 -0.04 2.03 2.10 3h2iA1 PRO 303 HD2 -0.12 0.11 -0.37 -0.04 3.68 3.27 3h2iA1 PRO 303 HD3 -0.48 0.07 0.09 -0.04 3.65 3.29 3h2iA1 SER 304 H -0.20 0.33 -0.41 -0.55 8.46 7.63 3h2iA1 SER 304 HA -0.15 0.17 0.92 -0.75 4.49 4.68 3h2iA1 SER 304 HB2 -0.07 -0.08 0.13 -0.04 3.95 3.89 3h2iA1 SER 304 HB3 -0.08 -0.04 -0.01 -0.04 3.93 3.77 3h2iA1 ASN 305 H -0.25 0.47 -0.17 -0.55 8.53 8.03 3h2iA1 ASN 305 HA -0.12 0.17 0.93 -0.75 4.76 4.99 3h2iA1 ASN 305 HB2 -0.07 0.03 -0.09 -0.04 2.88 2.71 3h2iA1 ASN 305 HB3 -0.10 0.15 0.15 -0.04 2.79 2.95 3h2iA1 ASN 305 HD21 -0.03 0.03 -0.20 -0.04 7.03 6.80 3h2iA1 ASN 305 HD22 -0.02 0.02 -0.06 -0.04 7.74 7.63 3h2iA1 PRO 306 HA -0.25 0.11 0.45 -0.51 4.44 4.24 3h2iA1 PRO 306 HB2 -0.13 0.03 -0.01 -0.04 2.28 2.12 3h2iA1 PRO 306 HB3 -0.16 0.03 0.07 -0.04 2.02 1.92 3h2iA1 PRO 306 HG2 -0.10 -0.01 0.05 -0.04 2.03 1.93 3h2iA1 PRO 306 HG3 -0.10 0.05 0.04 -0.04 2.03 1.97 3h2iA1 PRO 306 HD2 -0.11 0.15 0.20 -0.04 3.68 3.87 3h2iA1 PRO 306 HD3 -0.15 0.18 -0.04 -0.04 3.65 3.60 3h2iA1 ALA 307 H -0.10 0.08 -0.37 -0.55 8.40 7.46 3h2iA1 ALA 307 HA -0.08 0.15 0.51 -0.75 4.34 4.16 3h2iA1 ALA 307 HB3 -0.05 -0.00 0.02 -0.04 1.41 1.34 3h2iA1 ASN 308 H -0.12 0.49 -0.46 -0.55 8.53 7.90 3h2iA1 ASN 308 HA 0.02 0.06 0.37 -0.75 4.76 4.45 3h2iA1 ASN 308 HB2 -0.09 0.19 0.06 -0.04 2.88 3.01 3h2iA1 ASN 308 HB3 -0.12 -0.01 0.11 -0.04 2.79 2.73 3h2iA1 ASN 308 HD21 0.27 -0.03 0.01 -0.04 7.03 7.25 3h2iA1 ASN 308 HD22 0.08 0.05 -0.04 -0.04 7.74 7.79 3h2iA1 PRO 309 HA -0.01 0.11 0.39 -0.51 4.44 4.43 3h2iA1 PRO 309 HB2 0.07 -0.08 -0.25 -0.04 2.28 1.97 3h2iA1 PRO 309 HB3 0.04 0.17 0.15 -0.04 2.02 2.34 3h2iA1 PRO 309 HG2 0.20 -0.20 0.16 -0.04 2.03 2.15 3h2iA1 PRO 309 HG3 0.10 0.19 0.21 -0.04 2.03 2.49 3h2iA1 PRO 309 HD2 0.13 0.03 0.24 -0.04 3.68 4.04 3h2iA1 PRO 309 HD3 0.06 0.21 0.25 -0.04 3.65 4.12 3h2iA1 PHE 310 H 0.32 0.17 -0.11 -0.55 8.34 8.17 3h2iA1 PHE 310 HA 0.01 0.08 0.37 -0.75 4.62 4.32 3h2iA1 PHE 310 HB2 0.17 0.01 0.04 -0.04 3.15 3.33 3h2iA1 PHE 310 HB3 0.24 0.01 0.03 -0.04 3.06 3.29 3h2iA1 PHE 310 HD2 -0.28 0.02 -0.06 -0.04 7.28 6.92 3h2iA1 PHE 310 HE2 -0.33 0.04 -0.21 -0.04 7.38 6.84 3h2iA1 PHE 310 HZ -0.63 -0.03 -0.09 -0.04 7.32 6.53 3h2iA1 ARG 311 H 0.09 0.13 -0.37 -0.55 8.46 7.76 3h2iA1 ARG 311 HA -0.28 -0.02 0.36 -0.75 4.34 3.65 3h2iA1 ARG 311 HB2 -0.46 -0.03 0.06 -0.04 1.90 1.43 3h2iA1 ARG 311 HB3 -0.23 0.26 0.05 -0.04 1.80 1.83 3h2iA1 ARG 311 HG2 -0.32 0.06 -0.12 -0.04 1.67 1.25 3h2iA1 ARG 311 HG3 -0.50 -0.15 0.04 -0.04 1.67 1.01 3h2iA1 ARG 311 HD2 -1.15 0.06 -0.02 -0.04 3.22 2.06 3h2iA1 ARG 311 HD3 -0.50 0.21 -0.02 -0.04 3.22 2.87 3h2iA1 GLN 312 H -0.12 0.54 -0.21 -0.55 8.47 8.13 3h2iA1 GLN 312 HA -0.17 0.03 0.48 -0.75 4.36 3.95 3h2iA1 GLN 312 HB2 -0.13 0.09 0.07 -0.04 2.15 2.14 3h2iA1 GLN 312 HB3 -0.14 -0.07 0.01 -0.04 2.02 1.78 3h2iA1 GLN 312 HG2 -0.11 0.03 0.06 -0.04 2.40 2.34 3h2iA1 GLN 312 HG3 -0.10 0.29 -0.21 -0.04 2.39 2.33 3h2iA1 GLN 312 HE21 -0.05 -0.04 -0.00 -0.04 6.97 6.84 3h2iA1 GLN 312 HE22 -0.08 -0.02 -0.02 -0.04 7.69 7.53 3h2iA1 ASP 313 H -0.19 0.48 -0.25 -0.55 8.40 7.89 3h2iA1 ASP 313 HA -0.56 0.03 0.40 -0.75 4.63 3.74 3h2iA1 ASP 313 HB2 -0.06 0.13 0.14 -0.04 2.71 2.88 3h2iA1 ASP 313 HB3 -0.06 -0.06 0.02 -0.04 2.70 2.57 3h2iA1 LEU 314 H -0.35 0.41 -0.29 -0.55 8.37 7.60 3h2iA1 LEU 314 HA -0.22 0.06 0.39 -0.75 4.35 3.82 3h2iA1 LEU 314 HB2 -0.37 0.17 0.14 -0.04 1.64 1.54 3h2iA1 LEU 314 HB3 -0.29 -0.17 -0.15 -0.04 1.64 0.99 3h2iA1 LEU 314 HG -1.30 0.25 -0.05 -0.04 1.64 0.49 3h2iA1 LEU 314 HD13 -0.84 -0.02 -0.09 -0.04 0.93 -0.06 3h2iA1 LEU 314 HD23 -0.51 -0.02 -0.11 -0.04 0.89 0.21 3h2iA1 ALA 315 H -0.21 0.61 -0.13 -0.55 8.40 8.13 3h2iA1 ALA 315 HA -0.10 -0.14 0.44 -0.75 4.34 3.78 3h2iA1 ALA 315 HB3 -0.13 0.04 0.15 -0.04 1.41 1.42 3h2iA1 ARG 316 H -0.15 0.64 -0.12 -0.55 8.46 8.28 3h2iA1 ARG 316 HA -0.06 0.01 0.38 -0.75 4.34 3.91 3h2iA1 ARG 316 HB2 -0.12 0.09 0.07 -0.04 1.90 1.89 3h2iA1 ARG 316 HB3 -0.02 -0.07 0.13 -0.04 1.80 1.80 3h2iA1 ARG 316 HG2 -0.10 -0.07 0.05 -0.04 1.67 1.51 3h2iA1 ARG 316 HG3 -0.22 0.40 0.08 -0.04 1.67 1.89 3h2iA1 ARG 316 HD2 -0.20 -0.02 0.00 -0.04 3.22 2.95 3h2iA1 ARG 316 HD3 -0.06 -0.03 0.01 -0.04 3.22 3.10 3h2iA1 ASN 317 H -0.05 0.32 -0.85 -0.55 8.53 7.41 3h2iA1 ASN 317 HA -0.01 0.16 1.05 -0.75 4.76 5.21 3h2iA1 ASN 317 HB2 0.00 0.11 0.18 -0.04 2.88 3.13 3h2iA1 ASN 317 HB3 0.12 -0.07 0.30 -0.04 2.79 3.10 3h2iA1 ASN 317 HD21 0.41 -0.12 -0.02 -0.04 7.03 7.26 3h2iA1 ASN 317 HD22 0.08 0.47 0.08 -0.04 7.74 8.33 3h2iA1 ASN 318 H -0.01 0.55 -0.04 -0.55 8.53 8.49 3h2iA1 ASN 318 HA 0.09 -0.04 0.71 -0.75 4.76 4.77 3h2iA1 ASN 318 HB2 0.00 0.17 0.20 -0.04 2.88 3.21 3h2iA1 ASN 318 HB3 0.04 -0.10 0.15 -0.04 2.79 2.84 3h2iA1 ASN 318 HD21 -0.07 -0.10 0.05 -0.04 7.03 6.86 3h2iA1 ASN 318 HD22 -0.04 0.13 0.12 -0.04 7.74 7.90 3h2iA1 LEU 319 H 0.14 0.55 0.22 -0.55 8.37 8.74 3h2iA1 LEU 319 HA 0.08 0.22 0.73 -0.75 4.35 4.63 3h2iA1 LEU 319 HB2 0.26 -0.10 0.15 -0.04 1.64 1.91 3h2iA1 LEU 319 HB3 0.29 0.01 0.05 -0.04 1.64 1.95 3h2iA1 LEU 319 HG -0.15 0.11 -0.27 -0.04 1.64 1.30 3h2iA1 LEU 319 HD13 -0.28 -0.05 -0.10 -0.04 0.93 0.46 3h2iA1 LEU 319 HD23 -0.25 0.04 -0.13 -0.04 0.89 0.50 3h2iA1 LEU 320 H 0.17 0.11 -0.25 -0.55 8.37 7.85 3h2iA1 LEU 320 HA 0.02 0.27 1.00 -0.75 4.35 4.89 3h2iA1 LEU 320 HB2 0.02 0.02 0.00 -0.04 1.64 1.64 3h2iA1 LEU 320 HB3 -0.08 0.06 -0.03 -0.04 1.64 1.55 3h2iA1 LEU 320 HG 0.05 -0.10 -0.12 -0.04 1.64 1.44 3h2iA1 LEU 320 HD13 -0.03 -0.02 -0.05 -0.04 0.93 0.79 3h2iA1 LEU 320 HD23 -0.05 0.04 -0.35 -0.04 0.89 0.48 3h2iA1 GLU 321 H 0.20 0.04 -0.02 -0.55 8.60 8.27 3h2iA1 GLU 321 HA 0.13 0.22 0.62 -0.75 4.29 4.51 3h2iA1 GLU 321 HB2 0.11 0.01 0.19 -0.04 2.09 2.36 3h2iA1 GLU 321 HB3 0.08 0.06 0.09 -0.04 1.99 2.18 3h2iA1 GLU 321 HG2 0.03 0.03 -0.07 -0.04 2.34 2.30 3h2iA1 GLU 321 HG3 0.05 -0.10 0.04 -0.04 2.34 2.29 3h2iA1 TRP 322 H 0.23 0.59 0.07 -0.55 7.97 8.31 3h2iA1 TRP 322 HA 0.03 0.08 0.37 -0.75 4.62 4.34 3h2iA1 TRP 322 HB2 -0.02 -0.04 -0.01 -0.04 3.23 3.12 3h2iA1 TRP 322 HB3 0.01 0.16 -0.15 -0.04 3.23 3.20 3h2iA1 TRP 322 HD1 0.14 -0.23 -0.91 -0.04 7.22 6.17 3h2iA1 TRP 322 HE1 0.24 0.27 -0.31 -0.04 10.20 10.35 3h2iA1 TRP 322 HE3 -0.11 0.09 -0.31 -0.04 7.59 7.21 3h2iA1 TRP 322 HZ2 -0.06 -0.04 -0.10 -0.04 7.44 7.20 3h2iA1 TRP 322 HZ3 -0.16 -0.03 -0.19 -0.04 7.13 6.71 3h2iA1 TRP 322 HH2 -0.19 -0.04 -0.13 -0.04 7.19 6.80 3h2iA1 ALA 323 H 0.18 0.16 0.02 -0.55 8.40 8.22 3h2iA1 ALA 323 HA -0.26 0.24 0.91 -0.75 4.34 4.47 3h2iA1 ALA 323 HB3 -0.04 0.04 -0.03 -0.04 1.41 1.34 3h2iA1 PRO 324 HA -0.34 -0.04 0.38 -0.51 4.44 3.94 3h2iA1 PRO 324 HB2 -0.69 -0.04 -0.03 -0.04 2.28 1.48 3h2iA1 PRO 324 HB3 -0.71 0.04 -0.06 -0.04 2.02 1.25 3h2iA1 PRO 324 HG2 -2.84 0.00 -0.04 -0.04 2.03 -0.89 3h2iA1 PRO 324 HG3 -3.20 0.02 -0.12 -0.04 2.03 -1.32 3h2iA1 PRO 324 HD2 -0.93 0.04 0.14 -0.04 3.68 2.90 3h2iA1 PRO 324 HD3 -1.39 0.38 -0.10 -0.04 3.65 2.50 3h2iA1 GLN 325 H -0.01 0.04 0.17 -0.55 8.47 8.12 3h2iA1 GLN 325 HA -0.07 0.15 0.70 -0.75 4.36 4.38 3h2iA1 GLN 325 HB2 0.01 -0.06 0.14 -0.04 2.15 2.20 3h2iA1 GLN 325 HB3 -0.02 0.04 -0.04 -0.04 2.02 1.96 3h2iA1 GLN 325 HG2 -0.01 0.01 0.02 -0.04 2.40 2.38 3h2iA1 GLN 325 HG3 -0.03 -0.01 0.03 -0.04 2.39 2.34 3h2iA1 GLN 325 HE21 0.03 0.02 0.03 -0.04 6.97 7.02 3h2iA1 GLN 325 HE22 0.02 -0.02 -0.00 -0.04 7.69 7.65 3h2iA1 THR 326 H -0.02 -0.09 -0.01 -0.55 8.28 7.61 3h2iA1 THR 326 HA -0.01 0.24 0.48 -0.75 4.39 4.35 3h2iA1 THR 326 HB 0.01 -0.14 -0.13 -0.04 4.32 4.03 3h2iA1 THR 326 HG23 0.03 0.08 -0.47 -0.04 1.22 0.83 3h2iA1 PRO 327 HA -0.04 0.11 0.48 -0.51 4.44 4.49 3h2iA1 PRO 327 HB2 0.01 0.00 0.19 -0.04 2.28 2.45 3h2iA1 PRO 327 HB3 0.00 0.01 0.13 -0.04 2.02 2.12 3h2iA1 PRO 327 HG2 0.02 0.09 0.17 -0.04 2.03 2.27 3h2iA1 PRO 327 HG3 -0.00 0.01 0.14 -0.04 2.03 2.13 3h2iA1 PRO 327 HD2 0.02 0.22 0.09 -0.04 3.68 3.97 3h2iA1 PRO 327 HD3 0.00 0.15 0.25 -0.04 3.65 4.01 3h2iA1 THR 328 H -0.06 0.75 0.37 -0.55 8.28 8.78 3h2iA1 THR 328 HA -0.02 0.27 1.18 -0.75 4.39 5.07 3h2iA1 THR 328 HB -0.13 -0.13 0.01 -0.04 4.32 4.02 3h2iA1 THR 328 HG23 -0.07 -0.04 -0.17 -0.04 1.22 0.90 3h2iA1 LEU 329 H 0.01 0.62 0.33 -0.55 8.37 8.77 3h2iA1 LEU 329 HA 0.01 0.20 1.00 -0.75 4.35 4.81 3h2iA1 LEU 329 HB2 0.02 0.07 -0.13 -0.04 1.64 1.56 3h2iA1 LEU 329 HB3 0.03 -0.04 0.13 -0.04 1.64 1.72 3h2iA1 LEU 329 HG 0.04 -0.08 -0.37 -0.04 1.64 1.20 3h2iA1 LEU 329 HD13 0.03 0.03 -0.29 -0.04 0.93 0.65 3h2iA1 LEU 329 HD23 0.03 -0.00 -0.17 -0.04 0.89 0.71 3h2iA1 LEU 330 H 0.02 0.78 0.31 -0.55 8.37 8.93 3h2iA1 LEU 330 HA 0.06 0.21 0.76 -0.75 4.35 4.62 3h2iA1 LEU 330 HB2 0.06 -0.04 0.18 -0.04 1.64 1.80 3h2iA1 LEU 330 HB3 0.13 -0.11 0.06 -0.04 1.64 1.67 3h2iA1 LEU 330 HG -0.02 0.12 -0.03 -0.04 1.64 1.67 3h2iA1 LEU 330 HD13 -0.01 -0.02 -0.02 -0.04 0.93 0.83 3h2iA1 LEU 330 HD23 -0.25 -0.00 -0.10 -0.04 0.89 0.50 3h2iA1 CYS 331 H 0.13 0.53 0.38 -0.55 8.50 9.00 3h2iA1 CYS 331 HA 0.09 0.36 1.14 -0.75 4.58 5.41 3h2iA1 CYS 331 HB2 0.08 0.10 -0.07 -0.04 2.97 3.03 3h2iA1 CYS 331 HB3 0.11 -0.05 0.09 -0.04 2.97 3.08 3h2iA1 GLY 332 H 0.09 0.57 0.42 -0.55 8.43 8.96 3h2iA1 GLY 332 HA2 0.12 0.04 0.47 -0.51 4.01 4.13 3h2iA1 GLY 332 HA3 0.12 0.04 0.47 -0.51 4.01 4.13 3h2iA1 SER 333 H 0.11 0.28 0.22 -0.55 8.46 8.52 3h2iA1 SER 333 HA 0.07 -0.01 1.03 -0.75 4.49 4.83 3h2iA1 SER 333 HB2 0.07 0.19 -0.17 -0.04 3.95 4.00 3h2iA1 SER 333 HB3 0.10 0.06 0.05 -0.04 3.93 4.10 3h2iA1 SER 334 H 0.05 0.15 0.18 -0.55 8.46 8.30 3h2iA1 SER 334 HA 0.05 0.08 0.43 -0.75 4.49 4.29 3h2iA1 SER 334 HB2 0.04 -0.10 0.05 -0.04 3.95 3.90 3h2iA1 SER 334 HB3 0.04 0.12 0.00 -0.04 3.93 4.05 3h2iA1 ASN 335 H 0.06 -0.07 -0.40 -0.55 8.53 7.58 3h2iA1 ASN 335 HA 0.06 0.22 0.45 -0.75 4.76 4.73 3h2iA1 ASN 335 HB2 0.08 -0.01 -0.07 -0.04 2.88 2.84 3h2iA1 ASN 335 HB3 0.07 0.19 -0.13 -0.04 2.79 2.88 3h2iA1 ASN 335 HD21 0.04 -0.08 -0.15 -0.04 7.03 6.80 3h2iA1 ASN 335 HD22 0.04 0.15 -0.23 -0.04 7.74 7.66 3h2iA1 ASP 336 H 0.09 0.39 -0.39 -0.55 8.40 7.95 3h2iA1 ASP 336 HA 0.14 -0.02 0.36 -0.75 4.63 4.36 3h2iA1 ASP 336 HB2 0.16 -0.07 0.12 -0.04 2.71 2.88 3h2iA1 ASP 336 HB3 0.12 0.09 0.13 -0.04 2.70 3.00 3h2iA1 ALA 337 H 0.11 0.26 0.13 -0.55 8.40 8.35 3h2iA1 ALA 337 HA 0.08 0.17 0.56 -0.75 4.34 4.40 3h2iA1 ALA 337 HB3 0.08 0.01 -0.33 -0.04 1.41 1.13 3h2iA1 THR 338 H 0.08 -0.02 -0.01 -0.55 8.28 7.78 3h2iA1 THR 338 HA 0.20 0.10 0.56 -0.75 4.39 4.50 3h2iA1 THR 338 HB -0.35 -0.07 0.15 -0.04 4.32 4.02 3h2iA1 THR 338 HG23 -0.24 0.01 -0.12 -0.04 1.22 0.83 3h2iA1 VAL 339 H -0.04 0.01 -0.21 -0.55 8.24 7.45 3h2iA1 VAL 339 HA 0.02 0.26 0.69 -0.75 4.13 4.35 3h2iA1 VAL 339 HB 0.08 -0.09 0.09 -0.04 2.12 2.16 3h2iA1 VAL 339 HG13 -0.03 0.04 -0.50 -0.04 0.97 0.44 3h2iA1 VAL 339 HG23 -0.16 -0.00 -0.16 -0.04 0.95 0.59 3h2iA1 PRO 340 HA 0.04 0.26 0.43 -0.51 4.44 4.67 3h2iA1 PRO 340 HB2 -0.02 -0.06 0.03 -0.04 2.28 2.18 3h2iA1 PRO 340 HB3 -0.01 0.03 0.06 -0.04 2.02 2.06 3h2iA1 PRO 340 HG2 -0.09 0.09 -0.04 -0.04 2.03 1.95 3h2iA1 PRO 340 HG3 -0.00 0.08 -0.10 -0.04 2.03 1.97 3h2iA1 PRO 340 HD2 -0.04 0.10 0.02 -0.04 3.68 3.72 3h2iA1 PRO 340 HD3 0.04 0.31 -0.62 -0.04 3.65 3.33 3h2iA1 LEU 341 H 0.05 0.29 0.17 -0.55 8.37 8.34 3h2iA1 LEU 341 HA 0.08 0.09 0.36 -0.75 4.35 4.13 3h2iA1 LEU 341 HB2 0.07 0.06 -0.11 -0.04 1.64 1.62 3h2iA1 LEU 341 HB3 0.05 0.05 -0.07 -0.04 1.64 1.63 3h2iA1 LEU 341 HG 0.06 0.04 -0.11 -0.04 1.64 1.59 3h2iA1 LEU 341 HD13 0.10 -0.02 -0.12 -0.04 0.93 0.85 3h2iA1 LEU 341 HD23 0.06 -0.02 -0.28 -0.04 0.89 0.61 3h2iA1 LYS 342 H 0.02 0.04 -0.63 -0.55 8.42 7.29 3h2iA1 LYS 342 HA 0.01 0.09 0.31 -0.75 4.32 3.98 3h2iA1 LYS 342 HB2 -0.00 0.02 0.01 -0.04 1.87 1.85 3h2iA1 LYS 342 HB3 -0.01 0.02 -0.07 -0.04 1.79 1.68 3h2iA1 LYS 342 HG2 -0.02 -0.01 -0.20 -0.04 1.46 1.18 3h2iA1 LYS 342 HG3 -0.01 0.03 -0.01 -0.04 1.46 1.43 3h2iA1 LYS 342 HD2 -0.03 0.00 -0.03 -0.04 1.69 1.60 3h2iA1 LYS 342 HD3 -0.04 0.00 -0.08 -0.04 1.68 1.53 3h2iA1 LYS 342 HE2 -0.04 -0.01 -0.08 -0.04 2.99 2.82 3h2iA1 LYS 342 HE3 -0.03 0.03 -0.04 -0.04 2.99 2.91 3h2iA1 ASN 343 H 0.01 0.53 -0.41 -0.55 8.53 8.12 3h2iA1 ASN 343 HA 0.03 -0.00 0.29 -0.75 4.76 4.32 3h2iA1 ASN 343 HB2 -0.04 0.19 0.03 -0.04 2.88 3.02 3h2iA1 ASN 343 HB3 -0.12 -0.06 -0.04 -0.04 2.79 2.53 3h2iA1 ASN 343 HD21 -0.05 -0.01 -0.07 -0.04 7.03 6.86 3h2iA1 ASN 343 HD22 -0.04 0.33 -0.14 -0.04 7.74 7.85 3h2iA1 ALA 344 H 0.13 0.24 -0.31 -0.55 8.40 7.92 3h2iA1 ALA 344 HA 0.28 0.05 0.38 -0.75 4.34 4.29 3h2iA1 ALA 344 HB3 0.16 0.04 0.01 -0.04 1.41 1.57 3h2iA1 GLN 345 H 0.05 0.27 -0.19 -0.55 8.47 8.05 3h2iA1 GLN 345 HA 0.00 0.07 0.35 -0.75 4.36 4.02 3h2iA1 GLN 345 HB2 0.00 0.05 0.09 -0.04 2.15 2.26 3h2iA1 GLN 345 HB3 -0.00 0.02 0.01 -0.04 2.02 2.01 3h2iA1 GLN 345 HG2 0.02 0.01 -0.05 -0.04 2.40 2.34 3h2iA1 GLN 345 HG3 0.03 0.12 0.00 -0.04 2.39 2.51 3h2iA1 GLN 345 HE21 0.01 -0.00 -0.06 -0.04 6.97 6.88 3h2iA1 GLN 345 HE22 0.01 0.05 -0.05 -0.04 7.69 7.66 3h2iA1 THR 346 H -0.01 0.60 -0.08 -0.55 8.28 8.24 3h2iA1 THR 346 HA -0.07 0.06 0.39 -0.75 4.39 4.01 3h2iA1 THR 346 HB -0.03 0.00 0.05 -0.04 4.32 4.30 3h2iA1 THR 346 HG23 -0.07 -0.00 -0.09 -0.04 1.22 1.02 3h2iA1 ALA 347 H -0.05 0.45 -0.21 -0.55 8.40 8.04 3h2iA1 ALA 347 HA -0.50 0.04 0.38 -0.75 4.34 3.50 3h2iA1 ALA 347 HB3 -0.19 0.01 0.07 -0.04 1.41 1.26 3h2iA1 ILE 348 H -0.12 0.57 -0.07 -0.55 8.25 8.08 3h2iA1 ILE 348 HA 0.10 0.03 0.38 -0.75 4.18 3.94 3h2iA1 ILE 348 HB -0.02 0.03 0.10 -0.04 1.89 1.96 3h2iA1 ILE 348 HG12 0.09 0.00 -0.11 -0.04 1.49 1.44 3h2iA1 ILE 348 HG13 0.04 0.09 0.03 -0.04 1.21 1.32 3h2iA1 ILE 348 HG23 0.01 0.00 -0.09 -0.04 0.93 0.82 3h2iA1 ILE 348 HD13 0.03 -0.01 -0.29 -0.04 0.88 0.57 3h2iA1 ALA 349 H -0.12 0.45 -0.29 -0.55 8.40 7.89 3h2iA1 ALA 349 HA -0.06 0.00 0.46 -0.75 4.34 3.99 3h2iA1 ALA 349 HB3 -0.07 0.01 0.11 -0.04 1.41 1.41 3h2iA1 SER 350 H -0.26 0.52 -0.10 -0.55 8.46 8.07 3h2iA1 SER 350 HA -0.11 -0.03 0.43 -0.75 4.49 4.03 3h2iA1 SER 350 HB2 -0.19 -0.12 0.11 -0.04 3.95 3.71 3h2iA1 SER 350 HB3 -0.48 0.13 0.24 -0.04 3.93 3.78 3h2iA1 PHE 351 H -0.41 0.50 -0.06 -0.55 8.34 7.81 3h2iA1 PHE 351 HA -0.24 0.20 0.54 -0.75 4.62 4.37 3h2iA1 PHE 351 HB2 -0.19 0.05 0.21 -0.04 3.15 3.17 3h2iA1 PHE 351 HB3 -0.28 -0.09 0.07 -0.04 3.06 2.71 3h2iA1 PHE 351 HD2 -0.40 0.13 -0.01 -0.04 7.28 6.96 3h2iA1 PHE 351 HE2 -0.75 -0.08 -0.13 -0.04 7.38 6.37 3h2iA1 PHE 351 HZ -0.16 -0.01 -0.03 -0.04 7.32 7.08 3h2iA1 GLN 352 H 0.02 0.53 0.02 -0.55 8.47 8.49 3h2iA1 GLN 352 HA -0.01 0.31 0.56 -0.75 4.36 4.47 3h2iA1 GLN 352 HB2 -0.02 0.02 0.20 -0.04 2.15 2.31 3h2iA1 GLN 352 HB3 -0.01 -0.09 0.07 -0.04 2.02 1.95 3h2iA1 GLN 352 HG2 -0.00 0.05 0.20 -0.04 2.40 2.61 3h2iA1 GLN 352 HG3 0.01 0.38 0.26 -0.04 2.39 3.00 3h2iA1 GLN 352 HE21 -0.01 -0.08 0.02 -0.04 6.97 6.86 3h2iA1 GLN 352 HE22 -0.01 0.04 0.07 -0.04 7.69 7.75 3h2iA1 GLN 353 H -0.03 0.47 -0.11 -0.55 8.47 8.25 3h2iA1 GLN 353 HA -0.02 0.01 0.39 -0.75 4.36 3.99 3h2iA1 GLN 353 HB2 -0.02 -0.08 0.16 -0.04 2.15 2.17 3h2iA1 GLN 353 HB3 -0.03 0.03 0.15 -0.04 2.02 2.13 3h2iA1 GLN 353 HG2 -0.04 0.13 0.04 -0.04 2.40 2.48 3h2iA1 GLN 353 HG3 -0.02 0.04 -0.27 -0.04 2.39 2.11 3h2iA1 GLN 353 HE21 -0.04 -0.08 -0.02 -0.04 6.97 6.80 3h2iA1 GLN 353 HE22 -0.05 0.03 -0.03 -0.04 7.69 7.60 3h2iA1 ARG 354 H -0.01 0.28 -1.18 -0.55 8.46 7.01 3h2iA1 ARG 354 HA -0.00 0.09 0.85 -0.75 4.34 4.52 3h2iA1 ARG 354 HB2 0.01 0.25 0.16 -0.04 1.90 2.29 3h2iA1 ARG 354 HB3 0.01 -0.15 0.02 -0.04 1.80 1.64 3h2iA1 ARG 354 HG2 0.02 -0.09 -0.02 -0.04 1.67 1.54 3h2iA1 ARG 354 HG3 -0.00 0.08 -0.17 -0.04 1.67 1.54 3h2iA1 ARG 354 HD2 0.05 0.18 -0.01 -0.04 3.22 3.40 3h2iA1 ARG 354 HD3 0.08 -0.14 -0.18 -0.04 3.22 2.94 3h2iA1 GLY 355 H -0.02 0.64 0.11 -0.55 8.43 8.62 3h2iA1 GLY 355 HA2 -0.02 -0.04 0.33 -0.51 4.01 3.77 3h2iA1 GLY 355 HA3 -0.02 0.12 0.76 -0.51 4.01 4.35 3h2iA1 SER 356 H -0.04 0.47 0.05 -0.55 8.46 8.40 3h2iA1 SER 356 HA -0.07 0.21 1.05 -0.75 4.49 4.93 3h2iA1 SER 356 HB2 -0.17 0.04 -0.14 -0.04 3.95 3.65 3h2iA1 SER 356 HB3 -0.16 0.05 0.06 -0.04 3.93 3.84 3h2iA1 ASN 357 H -0.07 0.25 0.11 -0.55 8.53 8.28 3h2iA1 ASN 357 HA -0.04 0.17 0.79 -0.75 4.76 4.93 3h2iA1 ASN 357 HB2 -0.03 0.03 0.05 -0.04 2.88 2.89 3h2iA1 ASN 357 HB3 -0.03 -0.01 0.19 -0.04 2.79 2.90 3h2iA1 ASN 357 HD21 -0.02 -0.01 -0.10 -0.04 7.03 6.86 3h2iA1 ASN 357 HD22 -0.02 0.03 -0.10 -0.04 7.74 7.61 3h2iA1 GLN 358 H -0.13 0.13 -0.08 -0.55 8.47 7.85 3h2iA1 GLN 358 HA -0.06 0.15 0.56 -0.75 4.36 4.26 3h2iA1 GLN 358 HB2 -0.20 0.03 -0.19 -0.04 2.15 1.76 3h2iA1 GLN 358 HB3 -0.10 0.03 -0.34 -0.04 2.02 1.56 3h2iA1 GLN 358 HG2 -0.10 -0.20 0.02 -0.04 2.40 2.08 3h2iA1 GLN 358 HG3 -0.10 0.15 -0.16 -0.04 2.39 2.25 3h2iA1 GLN 358 HE21 -0.03 -0.01 -0.05 -0.04 6.97 6.84 3h2iA1 GLN 358 HE22 -0.05 -0.15 -0.12 -0.04 7.69 7.34 3h2iA1 VAL 359 H -0.11 0.05 -0.19 -0.55 8.24 7.44 3h2iA1 VAL 359 HA -0.08 0.34 1.05 -0.75 4.13 4.68 3h2iA1 VAL 359 HB 0.04 -0.03 0.06 -0.04 2.12 2.14 3h2iA1 VAL 359 HG13 0.01 -0.02 -0.17 -0.04 0.97 0.76 3h2iA1 VAL 359 HG23 -0.50 -0.00 -0.11 -0.04 0.95 0.30 3h2iA1 ALA 360 H -0.02 0.84 0.48 -0.55 8.40 9.16 3h2iA1 ALA 360 HA 0.01 0.14 0.90 -0.75 4.34 4.63 3h2iA1 ALA 360 HB3 0.00 0.02 0.06 -0.04 1.41 1.45 3h2iA1 LEU 361 H 0.02 0.21 0.20 -0.55 8.37 8.26 3h2iA1 LEU 361 HA 0.04 0.29 1.04 -0.75 4.35 4.97 3h2iA1 LEU 361 HB2 0.04 0.01 -0.11 -0.04 1.64 1.54 3h2iA1 LEU 361 HB3 0.03 0.01 0.05 -0.04 1.64 1.69 3h2iA1 LEU 361 HG 0.04 -0.04 -0.39 -0.04 1.64 1.21 3h2iA1 LEU 361 HD13 0.07 -0.04 -0.09 -0.04 0.93 0.84 3h2iA1 LEU 361 HD23 0.04 -0.02 -0.15 -0.04 0.89 0.72 3h2iA1 VAL 362 H 0.06 0.65 0.34 -0.55 8.24 8.74 3h2iA1 VAL 362 HA 0.04 0.14 0.83 -0.75 4.13 4.38 3h2iA1 VAL 362 HB 0.04 0.09 -0.17 -0.04 2.12 2.03 3h2iA1 VAL 362 HG13 0.05 0.01 -0.09 -0.04 0.97 0.90 3h2iA1 VAL 362 HG23 0.03 0.01 -0.07 -0.04 0.95 0.88 3h2iA1 ASP 363 H 0.04 0.26 0.16 -0.55 8.40 8.31 3h2iA1 ASP 363 HA 0.06 0.19 0.92 -0.75 4.63 5.04 3h2iA1 ASP 363 HB2 0.04 0.05 -0.01 -0.04 2.71 2.75 3h2iA1 ASP 363 HB3 0.03 0.12 0.12 -0.04 2.70 2.93 3h2iA1 THR 364 H 0.05 0.47 0.49 -0.55 8.28 8.75 3h2iA1 THR 364 HA 0.03 0.32 0.94 -0.75 4.39 4.94 3h2iA1 THR 364 HB 0.03 0.05 0.12 -0.04 4.32 4.48 3h2iA1 THR 364 HG23 0.04 0.03 -0.17 -0.04 1.22 1.08 3h2iA1 GLY 365 H 0.04 -0.07 0.05 -0.55 8.43 7.91 3h2iA1 GLY 365 HA2 0.05 0.08 0.45 -0.51 4.01 4.08 3h2iA1 GLY 365 HA3 0.04 -0.21 0.38 -0.51 4.01 3.72 3h2iA1 THR 366 H 0.04 0.05 0.16 -0.55 8.28 7.98 3h2iA1 THR 366 HA 0.03 0.29 0.55 -0.75 4.39 4.50 3h2iA1 THR 366 HB 0.02 0.10 0.14 -0.04 4.32 4.55 3h2iA1 THR 366 HG23 0.03 0.02 0.06 -0.04 1.22 1.29 3h2iA1 GLY 367 H 0.03 -0.09 -0.24 -0.55 8.43 7.58 3h2iA1 GLY 367 HA2 0.02 -0.01 0.21 -0.51 4.01 3.72 3h2iA1 GLY 367 HA3 0.02 0.26 0.49 -0.51 4.01 4.27 3h2iA1 ASN 368 H 0.02 0.01 -0.48 -0.55 8.53 7.54 3h2iA1 ASN 368 HA 0.02 0.26 0.89 -0.75 4.76 5.17 3h2iA1 ASN 368 HB2 0.02 -0.06 0.11 -0.04 2.88 2.91 3h2iA1 ASN 368 HB3 0.02 -0.03 0.04 -0.04 2.79 2.78 3h2iA1 ASN 368 HD21 0.02 0.10 -0.02 -0.04 7.03 7.08 3h2iA1 ASN 368 HD22 0.02 -0.08 -0.02 -0.04 7.74 7.61 3h2iA1 ALA 369 H 0.02 0.32 0.12 -0.55 8.40 8.31 3h2iA1 ALA 369 HA 0.03 0.04 0.32 -0.75 4.34 3.97 3h2iA1 ALA 369 HB3 0.02 0.05 0.10 -0.04 1.41 1.54 3h2iA1 SER 370 H 0.02 -0.06 -0.79 -0.55 8.46 7.08 3h2iA1 SER 370 HA 0.02 0.15 0.46 -0.75 4.49 4.37 3h2iA1 SER 370 HB2 0.02 0.05 0.03 -0.04 3.95 4.01 3h2iA1 SER 370 HB3 0.02 0.01 0.05 -0.04 3.93 3.97 3h2iA1 ASP 371 H 0.03 0.61 -0.09 -0.55 8.40 8.40 3h2iA1 ASP 371 HA 0.03 0.17 0.61 -0.75 4.63 4.70 3h2iA1 ASP 371 HB2 0.04 -0.08 0.08 -0.04 2.71 2.71 3h2iA1 ASP 371 HB3 0.04 -0.04 0.14 -0.04 2.70 2.80 3h2iA1 ASN 372 H 0.04 0.29 -0.47 -0.55 8.53 7.84 3h2iA1 ASN 372 HA 0.06 -0.05 0.52 -0.75 4.76 4.54 3h2iA1 ASN 372 HB2 0.04 0.11 0.21 -0.04 2.88 3.21 3h2iA1 ASN 372 HB3 0.05 0.09 0.06 -0.04 2.79 2.95 3h2iA1 ASN 372 HD21 0.03 -0.15 0.10 -0.04 7.03 6.98 3h2iA1 ASN 372 HD22 0.03 0.47 0.27 -0.04 7.74 8.47 3h2iA1 SER 373 H 0.09 0.52 0.34 -0.55 8.46 8.87 3h2iA1 SER 373 HA 0.10 0.10 0.59 -0.75 4.49 4.53 3h2iA1 SER 373 HB2 0.10 0.36 -0.05 -0.04 3.95 4.33 3h2iA1 SER 373 HB3 0.15 0.03 -0.06 -0.04 3.93 4.01 3h2iA1 ALA 374 H 0.08 0.32 0.25 -0.55 8.40 8.50 3h2iA1 ALA 374 HA 0.02 -0.12 0.54 -0.75 4.34 4.03 3h2iA1 ALA 374 HB3 -0.45 0.10 0.18 -0.04 1.41 1.20 3h2iA1 PHE 375 H 0.39 0.14 -0.22 -0.55 8.34 8.10 3h2iA1 PHE 375 HA 0.26 0.09 0.48 -0.75 4.62 4.70 3h2iA1 PHE 375 HB2 0.07 0.07 0.02 -0.04 3.15 3.27 3h2iA1 PHE 375 HB3 0.10 0.07 0.08 -0.04 3.06 3.27 3h2iA1 PHE 375 HD2 0.05 -0.05 0.07 -0.04 7.28 7.31 3h2iA1 PHE 375 HE2 0.03 0.03 0.02 -0.04 7.38 7.42 3h2iA1 PHE 375 HZ 0.20 0.07 0.00 -0.04 7.32 7.55 3h2iA1 ALA 376 H 0.21 0.43 -0.46 -0.55 8.40 8.03 3h2iA1 ALA 376 HA 0.15 0.16 0.45 -0.75 4.34 4.34 3h2iA1 ALA 376 HB3 0.13 0.05 -0.06 -0.04 1.41 1.48 3h2iA1 HIS 377 H 0.27 0.28 -0.40 -0.55 8.41 8.02 3h2iA1 HIS 377 HA 0.15 0.03 0.41 -0.75 4.63 4.47 3h2iA1 HIS 377 HB2 0.13 -0.08 0.22 -0.04 3.26 3.49 3h2iA1 HIS 377 HB3 0.13 0.05 0.18 -0.04 3.20 3.51 3h2iA1 HIS 377 HD2 0.03 0.02 -0.03 -0.04 6.97 6.94 3h2iA1 HIS 377 HE1 -0.01 0.32 0.15 -0.04 7.75 8.17 3h2iA1 MET 378 H 0.18 0.21 -0.13 -0.55 8.47 8.18 3h2iA1 MET 378 HA 0.04 0.02 0.36 -0.75 4.52 4.19 3h2iA1 MET 378 HB2 0.09 0.14 0.07 -0.04 2.15 2.41 3h2iA1 MET 378 HB3 0.03 0.04 0.06 -0.04 2.03 2.12 3h2iA1 MET 378 HG2 0.01 0.06 0.04 -0.04 2.63 2.70 3h2iA1 MET 378 HG3 0.10 -0.02 0.04 -0.04 2.56 2.63 3h2iA1 MET 378 HE3 -0.05 0.03 0.05 -0.04 2.10 2.08 3h2iA1 LEU 379 H 0.07 0.20 -0.54 -0.55 8.37 7.55 3h2iA1 LEU 379 HA -0.01 0.10 0.45 -0.75 4.35 4.13 3h2iA1 LEU 379 HB2 0.06 0.13 0.07 -0.04 1.64 1.85 3h2iA1 LEU 379 HB3 0.03 0.02 0.05 -0.04 1.64 1.69 3h2iA1 LEU 379 HG 0.09 0.03 0.04 -0.04 1.64 1.77 3h2iA1 LEU 379 HD13 0.06 -0.00 0.01 -0.04 0.93 0.95 3h2iA1 LEU 379 HD23 0.03 0.01 -0.01 -0.04 0.89 0.88 3h2iA1 THR 380 H -0.01 0.46 -0.26 -0.55 8.28 7.92 3h2iA1 THR 380 HA 0.00 0.10 0.44 -0.75 4.39 4.18 3h2iA1 THR 380 HB 0.07 -0.06 0.03 -0.04 4.32 4.32 3h2iA1 THR 380 HG23 0.09 0.03 0.01 -0.04 1.22 1.32 3h2iA1 LYS 381 H -0.36 0.32 -0.33 -0.55 8.42 7.50 3h2iA1 LYS 381 HA -0.38 0.03 0.30 -0.75 4.32 3.51 3h2iA1 LYS 381 HB2 -1.44 -0.01 0.11 -0.04 1.87 0.49 3h2iA1 LYS 381 HB3 -0.38 0.04 0.18 -0.04 1.79 1.59 3h2iA1 LYS 381 HG2 -0.13 0.03 -0.26 -0.04 1.46 1.05 3h2iA1 LYS 381 HG3 -0.22 -0.04 -0.04 -0.04 1.46 1.11 3h2iA1 LYS 381 HD2 -0.16 -0.02 0.02 -0.04 1.69 1.49 3h2iA1 LYS 381 HD3 -0.14 0.05 0.02 -0.04 1.68 1.57 3h2iA1 LYS 381 HE2 -0.04 -0.03 -0.06 -0.04 2.99 2.83 3h2iA1 LYS 381 HE3 0.24 -0.02 -0.04 -0.04 2.99 3.14 3h2iA1 GLU 382 H -0.14 0.22 -0.01 -0.55 8.60 8.12 3h2iA1 GLU 382 HA -0.07 0.05 0.40 -0.75 4.29 3.92 3h2iA1 GLU 382 HB2 -0.08 -0.02 0.08 -0.04 2.09 2.03 3h2iA1 GLU 382 HB3 -0.06 0.06 0.07 -0.04 1.99 2.01 3h2iA1 GLU 382 HG2 -0.04 0.06 -0.22 -0.04 2.34 2.09 3h2iA1 GLU 382 HG3 -0.06 -0.04 0.03 -0.04 2.34 2.23 3h2iA1 SER 383 H -0.05 0.20 -0.35 -0.55 8.46 7.72 3h2iA1 SER 383 HA -0.01 0.10 0.40 -0.75 4.49 4.23 3h2iA1 SER 383 HB2 -0.00 0.11 0.13 -0.04 3.95 4.14 3h2iA1 SER 383 HB3 0.00 -0.08 0.13 -0.04 3.93 3.94 3h2iA1 CYS 384 H 0.01 0.71 -0.13 -0.55 8.50 8.54 3h2iA1 CYS 384 HA 0.04 0.02 0.46 -0.75 4.58 4.35 3h2iA1 CYS 384 HB2 0.07 0.38 0.16 -0.04 2.97 3.54 3h2iA1 CYS 384 HB3 0.10 -0.02 -0.04 -0.04 2.97 2.97 3h2iA1 ILE 385 H 0.02 0.36 -0.32 -0.55 8.25 7.77 3h2iA1 ILE 385 HA 0.08 0.02 0.34 -0.75 4.18 3.87 3h2iA1 ILE 385 HB -0.04 0.11 0.11 -0.04 1.89 2.03 3h2iA1 ILE 385 HG12 0.06 0.49 0.02 -0.04 1.49 2.01 3h2iA1 ILE 385 HG13 -0.10 -0.14 -0.16 -0.04 1.21 0.78 3h2iA1 ILE 385 HG23 -0.10 0.00 -0.28 -0.04 0.93 0.51 3h2iA1 ILE 385 HD13 0.28 -0.02 -0.13 -0.04 0.88 0.97 3h2iA1 VAL 386 H -0.01 0.45 -0.18 -0.55 8.24 7.95 3h2iA1 VAL 386 HA -0.02 0.09 0.38 -0.75 4.13 3.83 3h2iA1 VAL 386 HB -0.00 0.11 0.15 -0.04 2.12 2.35 3h2iA1 VAL 386 HG13 0.00 -0.00 -0.11 -0.04 0.97 0.82 3h2iA1 VAL 386 HG23 -0.02 0.03 0.04 -0.04 0.95 0.96 3h2iA1 VAL 387 H 0.02 0.36 -0.16 -0.55 8.24 7.90 3h2iA1 VAL 387 HA 0.02 0.07 0.39 -0.75 4.13 3.85 3h2iA1 VAL 387 HB 0.04 -0.01 0.14 -0.04 2.12 2.24 3h2iA1 VAL 387 HG13 0.03 -0.00 -0.23 -0.04 0.97 0.73 3h2iA1 VAL 387 HG23 0.02 0.02 0.01 -0.04 0.95 0.97 3h2iA1 VAL 388 H 0.04 0.69 -0.04 -0.55 8.24 8.38 3h2iA1 VAL 388 HA 0.04 0.03 0.38 -0.75 4.13 3.83 3h2iA1 VAL 388 HB 0.06 -0.02 0.04 -0.04 2.12 2.15 3h2iA1 VAL 388 HG13 0.07 0.03 -0.00 -0.04 0.97 1.03 3h2iA1 VAL 388 HG23 0.07 0.07 -0.00 -0.04 0.95 1.04 3h2iA1 ARG 389 H 0.00 0.47 -0.39 -0.55 8.46 7.99 3h2iA1 ARG 389 HA -0.04 -0.06 0.41 -0.75 4.34 3.89 3h2iA1 ARG 389 HB2 -0.08 0.11 0.11 -0.04 1.90 1.99 3h2iA1 ARG 389 HB3 -0.02 0.13 0.18 -0.04 1.80 2.04 3h2iA1 ARG 389 HG2 0.02 -0.05 -0.16 -0.04 1.67 1.44 3h2iA1 ARG 389 HG3 -0.25 -0.05 -0.02 -0.04 1.67 1.30 3h2iA1 ARG 389 HD2 0.03 0.06 0.01 -0.04 3.22 3.28 3h2iA1 ARG 389 HD3 -0.07 0.01 -0.04 -0.04 3.22 3.08 3h2iA1 ASP 390 H 0.02 0.56 -0.08 -0.55 8.40 8.35 3h2iA1 ASP 390 HA 0.05 0.06 0.47 -0.75 4.63 4.45 3h2iA1 ASP 390 HB2 0.02 0.01 0.12 -0.04 2.71 2.82 3h2iA1 ASP 390 HB3 0.03 -0.03 0.00 -0.04 2.70 2.66 3h2iA1 GLN 391 H 0.03 0.66 0.00 -0.55 8.47 8.62 3h2iA1 GLN 391 HA 0.03 0.12 0.59 -0.75 4.36 4.35 3h2iA1 GLN 391 HB2 0.03 0.05 0.04 -0.04 2.15 2.23 3h2iA1 GLN 391 HB3 0.03 -0.03 0.01 -0.04 2.02 1.98 3h2iA1 GLN 391 HG2 0.02 0.00 -0.00 -0.04 2.40 2.38 3h2iA1 GLN 391 HG3 0.02 -0.01 0.01 -0.04 2.39 2.37 3h2iA1 GLN 391 HE21 0.02 -0.06 -0.03 -0.04 6.97 6.86 3h2iA1 GLN 391 HE22 0.02 0.01 -0.01 -0.04 7.69 7.67 3h2iA1 LEU 392 H 0.04 0.33 -0.26 -0.55 8.37 7.94 3h2iA1 LEU 392 HA 0.04 0.24 0.93 -0.75 4.35 4.80 3h2iA1 LEU 392 HB2 0.03 -0.00 -0.20 -0.04 1.64 1.42 3h2iA1 LEU 392 HB3 0.04 0.01 0.04 -0.04 1.64 1.69 3h2iA1 LEU 392 HG 0.05 -0.01 -0.44 -0.04 1.64 1.20 3h2iA1 LEU 392 HD13 0.03 0.02 -0.02 -0.04 0.93 0.92 3h2iA1 LEU 392 HD23 0.03 -0.02 -0.15 -0.04 0.89 0.71 3h2iA1 LEU 393 H 0.05 0.51 0.19 -0.55 8.37 8.58 3h2iA1 LEU 393 HA 0.12 0.04 0.32 -0.75 4.35 4.09 3h2iA1 LEU 393 HB2 0.03 0.06 0.19 -0.04 1.64 1.88 3h2iA1 LEU 393 HB3 0.15 0.01 -0.07 -0.04 1.64 1.68 3h2iA1 LEU 393 HG 0.02 0.11 -0.20 -0.04 1.64 1.53 3h2iA1 LEU 393 HD13 -0.14 -0.02 -0.15 -0.04 0.93 0.58 3h2iA1 LEU 393 HD23 0.08 -0.01 -0.18 -0.04 0.89 0.74 3h2iA1 ASP 394 H 0.13 0.76 0.09 -0.55 8.40 8.83 3h2iA1 ASP 394 HA 0.18 0.05 0.35 -0.75 4.63 4.46 3h2iA1 ASP 394 HB2 0.08 0.09 0.10 -0.04 2.71 2.94 3h2iA1 ASP 394 HB3 0.08 -0.02 -0.01 -0.04 2.70 2.70 3h2iA1 LYS 395 H 0.07 0.09 -0.60 -0.55 8.42 7.43 3h2iA1 LYS 395 HA 0.04 0.05 0.40 -0.75 4.32 4.06 3h2iA1 LYS 395 HB2 0.04 0.13 -0.06 -0.04 1.87 1.93 3h2iA1 LYS 395 HB3 0.03 -0.04 0.01 -0.04 1.79 1.75 3h2iA1 LYS 395 HG2 0.03 -0.05 -0.06 -0.04 1.46 1.34 3h2iA1 LYS 395 HG3 0.04 0.06 -0.15 -0.04 1.46 1.36 3h2iA1 LYS 395 HD2 0.03 0.23 -0.02 -0.04 1.69 1.89 3h2iA1 LYS 395 HD3 0.02 -0.08 -0.00 -0.04 1.68 1.59 3h2iA1 LYS 395 HE2 0.03 0.16 0.06 -0.04 2.99 3.19 3h2iA1 LYS 395 HE3 0.02 -0.08 0.02 -0.04 2.99 2.91 3h2iA1 GLN 396 H 0.07 0.39 -0.30 -0.55 8.47 8.08 3h2iA1 GLN 396 HA 0.04 0.12 0.73 -0.75 4.36 4.50 3h2iA1 GLN 396 HB2 0.08 -0.01 -0.02 -0.04 2.15 2.15 3h2iA1 GLN 396 HB3 0.06 -0.07 0.02 -0.04 2.02 1.99 3h2iA1 GLN 396 HG2 0.05 0.11 -0.01 -0.04 2.40 2.51 3h2iA1 GLN 396 HG3 0.05 0.11 0.05 -0.04 2.39 2.56 3h2iA1 GLN 396 HE21 0.03 -0.06 -0.04 -0.04 6.97 6.86 3h2iA1 GLN 396 HE22 0.03 -0.03 -0.14 -0.04 7.69 7.51 3h2iA1 ARG 397 H 0.06 0.31 -0.44 -0.55 8.46 7.83 3h2iA1 ARG 397 HA 0.01 -0.02 0.13 -0.75 4.34 3.70 3h2iA1 ARG 397 HB2 0.02 0.33 0.11 -0.04 1.90 2.32 3h2iA1 ARG 397 HB3 -0.03 -0.03 0.03 -0.04 1.80 1.73 3h2iA1 ARG 397 HG2 -0.15 -0.04 0.00 -0.04 1.67 1.44 3h2iA1 ARG 397 HG3 -0.09 -0.03 -0.07 -0.04 1.67 1.44 3h2iA1 ARG 397 HD2 -0.10 0.00 0.02 -0.04 3.22 3.10 3h2iA1 ARG 397 HD3 -0.35 0.02 -0.03 -0.04 3.22 2.82