============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 6 0.840 4.134 -6.211 35.364 -99.200 -91.000 HIS 7 0.900 -0.537 -0.261 33.638 -99.200 -91.000 PHE 8 1.000 8.326 -2.223 32.246 -99.200 -91.000 TRP 32 1.040 26.638 1.861 10.864 -99.200 -91.000 TRP6 32 1.020 28.788 2.448 11.648 -99.200 -91.000 TYR 55 0.840 21.908 13.732 17.347 -99.200 -91.000 HIS 63 0.900 29.729 14.751 10.240 -99.200 -91.000 TYR 65 0.840 24.632 15.106 6.185 -99.200 -91.000 HIS 66 0.900 22.006 22.308 7.926 -99.200 -91.000 TYR 77 0.840 23.861 -2.965 10.341 -99.200 -91.000 PHE 79 1.000 22.076 -2.820 -2.017 -99.200 -91.000 TYR 104 0.840 20.717 10.107 2.467 -99.200 -91.000 TYR 131 0.840 3.071 10.538 8.203 -99.200 -91.000 PHE 133 1.000 12.334 4.041 3.864 -99.200 -91.000 TYR 136 0.840 11.764 -8.253 4.434 -99.200 -91.000 HIS 137 0.900 19.442 -8.784 4.110 -99.200 -91.000 TYR 144 0.840 20.207 -5.881 1.499 -99.200 -91.000 TYR 145 0.840 12.135 -7.187 -1.217 -99.200 -91.000 PHE 155 1.000 3.271 -1.663 1.842 -99.200 -91.000 TYR 158 0.840 9.110 2.069 -4.944 -99.200 -91.000 TYR 167 0.840 24.472 6.686 -9.700 -99.200 -91.000 PHE 176 1.000 -0.710 -3.613 1.500 -99.200 -91.000 TYR 191 0.840 10.185 -15.808 13.534 -99.200 -91.000 TYR 195 0.840 5.139 -7.620 13.369 -99.200 -91.000 TRP 204 1.040 -3.961 -3.164 10.447 -99.200 -91.000 TRP6 204 1.020 -5.822 -4.468 9.804 -99.200 -91.000 PHE 206 1.000 -0.807 -5.717 5.981 -99.200 -91.000 HIS 226 0.900 -3.182 -4.830 26.037 -99.200 -91.000 TYR 237 0.840 15.820 -7.405 22.626 -99.200 -91.000 TYR 238 0.840 15.340 -8.636 14.637 -99.200 -91.000 TYR 245 0.840 10.612 -9.111 24.849 -99.200 -91.000 TYR 256 0.840 7.785 4.679 24.977 -99.200 -91.000 TYR 259 0.840 1.472 -5.525 21.550 -99.200 -91.000 TYR 267 0.840 0.044 -6.035 27.636 -99.200 -91.000 PHE 271 1.000 8.982 0.790 27.994 -99.200 -91.000 PHE 293 1.000 26.260 -7.574 19.018 -99.200 -91.000 TYR 299 0.840 24.349 3.273 26.226 -99.200 -91.000 PHE 301 1.000 23.131 -7.377 29.543 -99.200 -91.000 PHE 304 1.000 12.263 2.004 23.531 -99.200 -91.000 HIS 314 0.900 21.222 21.730 32.566 -99.200 -91.000 PHE 322 1.000 15.455 11.562 18.148 -99.200 -91.000 TRP 327 1.040 16.588 -5.193 26.222 -99.200 -91.000 TRP6 327 1.020 14.512 -4.390 25.439 -99.200 -91.000 PHE 336 1.000 14.979 -11.308 27.313 -99.200 -91.000 HIS 337 0.900 16.640 -11.536 34.701 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2pooA1 LYS 29 HA -0.04 -0.07 0.19 -0.75 4.32 3.64 2pooA1 LYS 29 HB2 -0.08 -0.03 0.06 -0.04 1.87 1.78 2pooA1 LYS 29 HB3 -0.07 -0.02 -0.06 -0.04 1.79 1.61 2pooA1 LYS 29 HG2 -0.03 -0.01 0.04 -0.04 1.46 1.41 2pooA1 LYS 29 HG3 -0.04 -0.01 0.01 -0.04 1.46 1.39 2pooA1 LYS 29 HD2 -0.03 -0.00 0.01 -0.04 1.69 1.62 2pooA1 LYS 29 HD3 -0.03 0.00 0.03 -0.04 1.68 1.65 2pooA1 LYS 29 HE2 -0.01 -0.02 0.01 -0.04 2.99 2.92 2pooA1 LYS 29 HE3 -0.01 -0.01 0.01 -0.04 2.99 2.94 2pooA1 LEU 30 H -0.14 0.11 0.10 -0.55 8.37 7.89 2pooA1 LEU 30 HA -0.26 -0.03 0.51 -0.75 4.35 3.82 2pooA1 LEU 30 HB2 -0.25 -0.01 0.17 -0.04 1.64 1.51 2pooA1 LEU 30 HB3 -0.40 0.15 0.05 -0.04 1.64 1.39 2pooA1 LEU 30 HG -1.08 -0.04 0.07 -0.04 1.64 0.55 2pooA1 LEU 30 HD13 -0.28 -0.01 -0.03 -0.04 0.93 0.56 2pooA1 LEU 30 HD23 -0.44 0.01 0.04 -0.04 0.89 0.46 2pooA1 SER 31 H -0.08 0.02 0.16 -0.55 8.46 8.03 2pooA1 SER 31 HA 0.02 0.09 0.46 -0.75 4.49 4.31 2pooA1 SER 31 HB2 0.07 -0.00 0.04 -0.04 3.95 4.01 2pooA1 SER 31 HB3 0.06 -0.03 0.11 -0.04 3.93 4.02 2pooA1 ASP 32 H 0.06 0.15 0.08 -0.55 8.40 8.14 2pooA1 ASP 32 HA 0.19 0.09 0.81 -0.75 4.63 4.97 2pooA1 ASP 32 HB2 0.11 0.09 -0.09 -0.04 2.71 2.78 2pooA1 ASP 32 HB3 0.06 -0.04 0.15 -0.04 2.70 2.83 2pooA1 PRO 33 HA 0.13 0.12 0.29 -0.51 4.44 4.48 2pooA1 PRO 33 HB2 -0.23 0.01 -0.05 -0.04 2.28 1.97 2pooA1 PRO 33 HB3 -0.02 0.04 0.01 -0.04 2.02 2.01 2pooA1 PRO 33 HG2 -0.11 -0.01 -0.07 -0.04 2.03 1.80 2pooA1 PRO 33 HG3 0.07 0.06 0.02 -0.04 2.03 2.14 2pooA1 PRO 33 HD2 0.02 0.08 0.34 -0.04 3.68 4.09 2pooA1 PRO 33 HD3 0.02 0.07 0.11 -0.04 3.65 3.81 2pooA1 TYR 34 H 0.15 0.17 0.05 -0.55 8.29 8.11 2pooA1 TYR 34 HA -0.13 0.08 0.72 -0.75 4.56 4.47 2pooA1 TYR 34 HB2 -0.03 0.20 -0.03 -0.04 3.06 3.16 2pooA1 TYR 34 HB3 -0.07 0.02 0.26 -0.04 2.98 3.15 2pooA1 TYR 34 HD2 0.01 -0.07 0.05 -0.04 7.15 7.10 2pooA1 TYR 34 HE2 -0.09 0.03 0.02 -0.04 6.85 6.78 2pooA1 HIS 35 H -0.39 0.14 0.13 -0.55 8.41 7.74 2pooA1 HIS 35 HA -0.08 0.33 1.12 -0.75 4.63 5.25 2pooA1 HIS 35 HB2 -0.09 -0.02 -0.04 -0.04 3.26 3.08 2pooA1 HIS 35 HB3 -0.08 0.02 0.09 -0.04 3.20 3.19 2pooA1 HIS 35 HD2 -0.04 0.00 -0.03 -0.04 6.97 6.86 2pooA1 HIS 35 HE1 0.02 0.08 -0.06 -0.04 7.75 7.74 2pooA1 PHE 36 H -0.10 0.45 0.45 -0.55 8.34 8.59 2pooA1 PHE 36 HA -0.09 0.05 0.49 -0.75 4.62 4.32 2pooA1 PHE 36 HB2 -0.10 -0.03 0.23 -0.04 3.15 3.21 2pooA1 PHE 36 HB3 -0.21 0.17 -0.02 -0.04 3.06 2.95 2pooA1 PHE 36 HD2 -0.09 0.08 -0.23 -0.04 7.28 6.99 2pooA1 PHE 36 HE2 -0.39 -0.06 -0.19 -0.04 7.38 6.71 2pooA1 PHE 36 HZ -0.61 -0.05 -0.17 -0.04 7.32 6.44 2pooA1 THR 37 H 0.21 0.30 0.27 -0.55 8.28 8.52 2pooA1 THR 37 HA 0.06 0.14 0.98 -0.75 4.39 4.82 2pooA1 THR 37 HB 0.06 0.02 0.11 -0.04 4.32 4.46 2pooA1 THR 37 HG23 0.02 -0.02 -0.12 -0.04 1.22 1.06 2pooA1 VAL 38 H 0.12 0.51 0.41 -0.55 8.24 8.73 2pooA1 VAL 38 HA 0.04 0.19 0.76 -0.75 4.13 4.37 2pooA1 VAL 38 HB -0.02 -0.01 0.02 -0.04 2.12 2.07 2pooA1 VAL 38 HG13 -0.04 0.00 -0.32 -0.04 0.97 0.57 2pooA1 VAL 38 HG23 0.05 -0.01 -0.26 -0.04 0.95 0.69 2pooA1 ASN 39 H 0.02 0.22 0.16 -0.55 8.53 8.39 2pooA1 ASN 39 HA 0.06 0.25 0.88 -0.75 4.76 5.20 2pooA1 ASN 39 HB2 0.03 -0.04 0.09 -0.04 2.88 2.91 2pooA1 ASN 39 HB3 0.04 0.06 0.04 -0.04 2.79 2.88 2pooA1 ASN 39 HD21 0.02 0.04 -0.04 -0.04 7.03 7.01 2pooA1 ASN 39 HD22 0.02 -0.03 0.01 -0.04 7.74 7.69 2pooA1 ALA 40 H 0.07 0.20 0.03 -0.55 8.40 8.16 2pooA1 ALA 40 HA 0.11 0.02 0.61 -0.75 4.34 4.33 2pooA1 ALA 40 HB3 0.09 0.04 -0.06 -0.04 1.41 1.44 2pooA1 ALA 41 H 0.14 0.52 0.46 -0.55 8.40 8.97 2pooA1 ALA 41 HA 0.07 0.11 0.82 -0.75 4.34 4.59 2pooA1 ALA 41 HB3 0.15 -0.01 0.09 -0.04 1.41 1.59 2pooA1 ALA 42 H 0.14 0.29 0.27 -0.55 8.40 8.56 2pooA1 ALA 42 HA 0.08 0.23 0.68 -0.75 4.34 4.57 2pooA1 ALA 42 HB3 0.15 0.02 -0.02 -0.04 1.41 1.52 2pooA1 GLU 43 H 0.05 0.34 0.19 -0.55 8.60 8.64 2pooA1 GLU 43 HA 0.04 0.15 0.79 -0.75 4.29 4.52 2pooA1 GLU 43 HB2 0.02 0.04 0.08 -0.04 2.09 2.19 2pooA1 GLU 43 HB3 0.03 -0.02 -0.13 -0.04 1.99 1.84 2pooA1 GLU 43 HG2 0.02 -0.04 -0.01 -0.04 2.34 2.27 2pooA1 GLU 43 HG3 0.01 0.11 -0.24 -0.04 2.34 2.18 2pooA1 THR 44 H 0.01 0.49 0.28 -0.55 8.28 8.51 2pooA1 THR 44 HA -0.08 0.10 0.61 -0.75 4.39 4.27 2pooA1 THR 44 HB -0.03 -0.11 0.21 -0.04 4.32 4.34 2pooA1 THR 44 HG23 -0.13 0.03 -0.15 -0.04 1.22 0.93 2pooA1 GLU 45 H 0.11 0.44 0.28 -0.55 8.60 8.88 2pooA1 GLU 45 HA 0.07 0.06 0.50 -0.75 4.29 4.16 2pooA1 GLU 45 HB2 0.24 -0.09 0.19 -0.04 2.09 2.38 2pooA1 GLU 45 HB3 0.12 0.06 0.07 -0.04 1.99 2.20 2pooA1 GLU 45 HG2 0.08 0.02 0.07 -0.04 2.34 2.47 2pooA1 GLU 45 HG3 0.12 0.14 0.11 -0.04 2.34 2.66 2pooA1 PRO 46 HA 0.06 0.18 0.36 -0.51 4.44 4.53 2pooA1 PRO 46 HB2 0.05 -0.04 -0.01 -0.04 2.28 2.24 2pooA1 PRO 46 HB3 0.03 0.08 0.03 -0.04 2.02 2.12 2pooA1 PRO 46 HG2 0.03 -0.04 0.04 -0.04 2.03 2.01 2pooA1 PRO 46 HG3 0.02 0.10 0.01 -0.04 2.03 2.11 2pooA1 PRO 46 HD2 0.06 0.03 0.16 -0.04 3.68 3.90 2pooA1 PRO 46 HD3 0.04 0.14 0.23 -0.04 3.65 4.03 2pooA1 VAL 47 H 0.07 0.46 0.17 -0.55 8.24 8.39 2pooA1 VAL 47 HA 0.14 0.06 0.51 -0.75 4.13 4.09 2pooA1 VAL 47 HB 0.06 0.04 0.15 -0.04 2.12 2.33 2pooA1 VAL 47 HG13 0.09 -0.18 -0.03 -0.04 0.97 0.80 2pooA1 VAL 47 HG23 0.17 0.03 -0.02 -0.04 0.95 1.09 2pooA1 ASP 48 H 0.08 0.11 0.12 -0.55 8.40 8.16 2pooA1 ASP 48 HA 0.04 0.16 0.46 -0.75 4.63 4.53 2pooA1 ASP 48 HB2 0.02 -0.00 0.08 -0.04 2.71 2.77 2pooA1 ASP 48 HB3 0.04 0.04 0.06 -0.04 2.70 2.80 2pooA1 THR 49 H 0.05 0.03 -0.29 -0.55 8.28 7.52 2pooA1 THR 49 HA 0.02 0.17 0.91 -0.75 4.39 4.74 2pooA1 THR 49 HB 0.03 0.08 0.01 -0.04 4.32 4.40 2pooA1 THR 49 HG23 0.04 -0.01 -0.10 -0.04 1.22 1.11 2pooA1 ALA 50 H 0.02 0.10 0.09 -0.55 8.40 8.06 2pooA1 ALA 50 HA 0.02 0.14 0.63 -0.75 4.34 4.37 2pooA1 ALA 50 HB3 0.01 -0.00 0.07 -0.04 1.41 1.45 2pooA1 GLY 51 H 0.01 0.11 0.16 -0.55 8.43 8.16 2pooA1 GLY 51 HA2 0.01 0.05 0.35 -0.51 4.01 3.90 2pooA1 GLY 51 HA3 0.01 0.06 0.46 -0.51 4.01 4.03 2pooA1 ASP 52 H 0.02 0.13 0.14 -0.55 8.40 8.13 2pooA1 ASP 52 HA 0.01 0.08 0.58 -0.75 4.63 4.54 2pooA1 ASP 52 HB2 0.02 -0.04 0.21 -0.04 2.71 2.86 2pooA1 ASP 52 HB3 0.03 0.04 0.19 -0.04 2.70 2.91 2pooA1 ALA 53 H 0.01 0.25 0.22 -0.55 8.40 8.33 2pooA1 ALA 53 HA 0.04 0.13 0.99 -0.75 4.34 4.74 2pooA1 ALA 53 HB3 0.04 -0.03 -0.08 -0.04 1.41 1.30 2pooA1 ALA 54 H -0.01 0.06 0.19 -0.55 8.40 8.09 2pooA1 ALA 54 HA 0.12 0.11 0.47 -0.75 4.34 4.28 2pooA1 ALA 54 HB3 -0.31 0.02 -0.04 -0.04 1.41 1.03 2pooA1 ASP 55 H 0.36 0.27 0.21 -0.55 8.40 8.70 2pooA1 ASP 55 HA 0.06 0.11 1.04 -0.75 4.63 5.09 2pooA1 ASP 55 HB2 0.09 0.00 -0.33 -0.04 2.71 2.44 2pooA1 ASP 55 HB3 0.14 -0.02 0.01 -0.04 2.70 2.79 2pooA1 ASP 56 H 0.20 0.21 0.28 -0.55 8.40 8.54 2pooA1 ASP 56 HA 0.22 0.17 1.10 -0.75 4.63 5.36 2pooA1 ASP 56 HB2 0.10 0.02 0.03 -0.04 2.71 2.81 2pooA1 ASP 56 HB3 0.09 -0.10 0.24 -0.04 2.70 2.89 2pooA1 PRO 57 HA -0.21 0.24 0.89 -0.51 4.44 4.86 2pooA1 PRO 57 HB2 -0.16 0.02 -0.13 -0.04 2.28 1.97 2pooA1 PRO 57 HB3 -0.48 -0.02 -0.16 -0.04 2.02 1.32 2pooA1 PRO 57 HG2 -0.00 0.04 -0.34 -0.04 2.03 1.69 2pooA1 PRO 57 HG3 0.02 0.04 -0.31 -0.04 2.03 1.74 2pooA1 PRO 57 HD2 0.11 0.05 0.00 -0.04 3.68 3.80 2pooA1 PRO 57 HD3 0.30 0.17 -0.12 -0.04 3.65 3.96 2pooA1 ALA 58 H -0.05 0.41 0.26 -0.55 8.40 8.48 2pooA1 ALA 58 HA 0.06 0.07 0.59 -0.75 4.34 4.30 2pooA1 ALA 58 HB3 0.05 0.04 -0.17 -0.04 1.41 1.29 2pooA1 ILE 59 H 0.09 0.19 0.13 -0.55 8.25 8.11 2pooA1 ILE 59 HA 0.10 0.29 1.12 -0.75 4.18 4.94 2pooA1 ILE 59 HB 0.09 -0.01 0.05 -0.04 1.89 1.98 2pooA1 ILE 59 HG12 0.01 0.06 -0.21 -0.04 1.49 1.32 2pooA1 ILE 59 HG13 0.03 -0.14 -0.44 -0.04 1.21 0.62 2pooA1 ILE 59 HG23 0.06 0.00 -0.24 -0.04 0.93 0.71 2pooA1 ILE 59 HD13 0.05 0.03 -0.32 -0.04 0.88 0.59 2pooA1 TRP 60 H 0.28 0.87 0.24 -0.55 7.97 8.80 2pooA1 TRP 60 HA 0.11 0.12 0.89 -0.75 4.62 4.98 2pooA1 TRP 60 HB2 -0.01 -0.01 -0.14 -0.04 3.23 3.03 2pooA1 TRP 60 HB3 0.04 -0.01 0.07 -0.04 3.23 3.28 2pooA1 TRP 60 HD1 -0.14 -0.02 -0.10 -0.04 7.22 6.91 2pooA1 TRP 60 HE1 0.11 -0.07 -0.04 -0.04 10.20 10.15 2pooA1 TRP 60 HE3 0.06 -0.11 -0.04 -0.04 7.59 7.46 2pooA1 TRP 60 HZ2 0.07 -0.04 -0.02 -0.04 7.44 7.40 2pooA1 TRP 60 HZ3 0.05 0.27 -0.05 -0.04 7.13 7.36 2pooA1 TRP 60 HH2 0.05 -0.08 -0.04 -0.04 7.19 7.08 2pooA1 LEU 61 H -0.10 0.17 0.05 -0.55 8.37 7.95 2pooA1 LEU 61 HA -0.28 0.10 0.62 -0.75 4.35 4.04 2pooA1 LEU 61 HB2 -0.13 0.02 -0.03 -0.04 1.64 1.46 2pooA1 LEU 61 HB3 -0.33 -0.06 0.08 -0.04 1.64 1.29 2pooA1 LEU 61 HG -0.31 0.03 -0.59 -0.04 1.64 0.73 2pooA1 LEU 61 HD13 0.03 -0.00 -0.06 -0.04 0.93 0.86 2pooA1 LEU 61 HD23 -0.43 -0.02 -0.07 -0.04 0.89 0.33 2pooA1 ASP 62 H -0.41 0.18 0.08 -0.55 8.40 7.70 2pooA1 ASP 62 HA -0.98 0.11 0.42 -0.75 4.63 3.43 2pooA1 ASP 62 HB2 -0.17 0.15 -0.32 -0.04 2.71 2.33 2pooA1 ASP 62 HB3 -0.11 0.00 -0.39 -0.04 2.70 2.16 2pooA1 PRO 63 HA -0.12 0.14 0.46 -0.51 4.44 4.41 2pooA1 PRO 63 HB2 -0.03 0.06 -0.01 -0.04 2.28 2.25 2pooA1 PRO 63 HB3 -0.09 0.03 0.07 -0.04 2.02 1.99 2pooA1 PRO 63 HG2 0.04 -0.04 0.10 -0.04 2.03 2.09 2pooA1 PRO 63 HG3 0.08 0.05 0.08 -0.04 2.03 2.20 2pooA1 PRO 63 HD2 -0.05 0.03 0.22 -0.04 3.68 3.85 2pooA1 PRO 63 HD3 -0.21 0.29 0.22 -0.04 3.65 3.91 2pooA1 LYS 64 H -0.00 0.04 -0.12 -0.55 8.42 7.78 2pooA1 LYS 64 HA 0.01 0.19 0.60 -0.75 4.32 4.37 2pooA1 LYS 64 HB2 0.04 -0.02 0.04 -0.04 1.87 1.89 2pooA1 LYS 64 HB3 0.05 -0.02 0.02 -0.04 1.79 1.79 2pooA1 LYS 64 HG2 0.03 0.02 -0.06 -0.04 1.46 1.41 2pooA1 LYS 64 HG3 0.03 0.02 0.02 -0.04 1.46 1.49 2pooA1 LYS 64 HD2 0.04 0.01 -0.02 -0.04 1.69 1.67 2pooA1 LYS 64 HD3 0.05 -0.01 -0.01 -0.04 1.68 1.67 2pooA1 LYS 64 HE2 0.06 -0.00 -0.03 -0.04 2.99 2.98 2pooA1 LYS 64 HE3 0.08 -0.04 -0.03 -0.04 2.99 2.95 2pooA1 ASN 65 H 0.00 0.01 -0.30 -0.55 8.53 7.69 2pooA1 ASN 65 HA 0.02 0.23 0.68 -0.75 4.76 4.93 2pooA1 ASN 65 HB2 0.05 -0.03 -0.07 -0.04 2.88 2.78 2pooA1 ASN 65 HB3 0.05 -0.09 0.11 -0.04 2.79 2.81 2pooA1 ASN 65 HD21 0.03 0.04 -0.01 -0.04 7.03 7.04 2pooA1 ASN 65 HD22 0.04 -0.07 -0.04 -0.04 7.74 7.63 2pooA1 PRO 66 HA -0.03 0.04 0.38 -0.51 4.44 4.31 2pooA1 PRO 66 HB2 0.01 -0.10 -0.07 -0.04 2.28 2.07 2pooA1 PRO 66 HB3 0.04 0.21 0.16 -0.04 2.02 2.39 2pooA1 PRO 66 HG2 0.02 0.05 0.01 -0.04 2.03 2.07 2pooA1 PRO 66 HG3 0.04 0.17 -0.01 -0.04 2.03 2.20 2pooA1 PRO 66 HD2 0.01 0.07 0.06 -0.04 3.68 3.77 2pooA1 PRO 66 HD3 0.01 0.23 -0.27 -0.04 3.65 3.58 2pooA1 GLN 67 H 0.03 0.10 -0.37 -0.55 8.47 7.68 2pooA1 GLN 67 HA 0.08 0.34 0.48 -0.75 4.36 4.51 2pooA1 GLN 67 HB2 0.07 0.01 0.14 -0.04 2.15 2.33 2pooA1 GLN 67 HB3 0.05 -0.08 0.11 -0.04 2.02 2.05 2pooA1 GLN 67 HG2 0.05 0.06 -0.15 -0.04 2.40 2.32 2pooA1 GLN 67 HG3 0.04 0.02 -0.02 -0.04 2.39 2.38 2pooA1 GLN 67 HE21 0.01 0.04 -0.00 -0.04 6.97 6.97 2pooA1 GLN 67 HE22 0.02 -0.01 0.03 -0.04 7.69 7.69 2pooA1 ASN 68 H 0.05 0.49 -0.30 -0.55 8.53 8.22 2pooA1 ASN 68 HA 0.11 0.13 0.74 -0.75 4.76 4.98 2pooA1 ASN 68 HB2 0.10 0.12 0.12 -0.04 2.88 3.18 2pooA1 ASN 68 HB3 0.16 0.02 0.17 -0.04 2.79 3.10 2pooA1 ASN 68 HD21 0.06 -0.01 -0.02 -0.04 7.03 7.02 2pooA1 ASN 68 HD22 0.08 -0.04 0.00 -0.04 7.74 7.74 2pooA1 SER 69 H 0.07 0.26 -0.41 -0.55 8.46 7.84 2pooA1 SER 69 HA 0.08 0.00 0.54 -0.75 4.49 4.36 2pooA1 SER 69 HB2 0.04 0.02 0.08 -0.04 3.95 4.05 2pooA1 SER 69 HB3 0.02 0.19 0.11 -0.04 3.93 4.22 2pooA1 LYS 70 H 0.45 0.45 0.30 -0.55 8.42 9.06 2pooA1 LYS 70 HA 0.20 0.30 1.11 -0.75 4.32 5.17 2pooA1 LYS 70 HB2 0.46 -0.08 0.01 -0.04 1.87 2.21 2pooA1 LYS 70 HB3 0.18 -0.01 -0.14 -0.04 1.79 1.77 2pooA1 LYS 70 HG2 0.10 -0.05 -0.09 -0.04 1.46 1.38 2pooA1 LYS 70 HG3 0.17 0.08 -0.13 -0.04 1.46 1.54 2pooA1 LYS 70 HD2 0.39 0.11 -0.35 -0.04 1.69 1.80 2pooA1 LYS 70 HD3 0.25 -0.08 -0.08 -0.04 1.68 1.72 2pooA1 LYS 70 HE2 0.08 -0.05 -0.14 -0.04 2.99 2.84 2pooA1 LYS 70 HE3 0.13 -0.08 -0.14 -0.04 2.99 2.86 2pooA1 LEU 71 H 0.15 0.74 0.30 -0.55 8.37 9.02 2pooA1 LEU 71 HA 0.07 0.21 1.01 -0.75 4.35 4.88 2pooA1 LEU 71 HB2 0.10 0.04 0.06 -0.04 1.64 1.80 2pooA1 LEU 71 HB3 -0.04 -0.02 -0.11 -0.04 1.64 1.43 2pooA1 LEU 71 HG -0.03 -0.01 -0.12 -0.04 1.64 1.44 2pooA1 LEU 71 HD13 0.01 0.03 -0.27 -0.04 0.93 0.65 2pooA1 LEU 71 HD23 -0.16 -0.01 -0.19 -0.04 0.89 0.48 2pooA1 ILE 72 H 0.04 0.62 0.22 -0.55 8.25 8.58 2pooA1 ILE 72 HA 0.03 0.28 1.03 -0.75 4.18 4.76 2pooA1 ILE 72 HB 0.02 -0.06 -0.04 -0.04 1.89 1.77 2pooA1 ILE 72 HG12 -0.08 -0.04 -0.19 -0.04 1.49 1.15 2pooA1 ILE 72 HG13 -0.01 0.09 -0.14 -0.04 1.21 1.11 2pooA1 ILE 72 HG23 -0.06 -0.00 -0.23 -0.04 0.93 0.60 2pooA1 ILE 72 HD13 0.06 -0.02 -0.36 -0.04 0.88 0.52 2pooA1 THR 73 H 0.03 0.61 0.29 -0.55 8.28 8.65 2pooA1 THR 73 HA -0.08 0.35 1.12 -0.75 4.39 5.02 2pooA1 THR 73 HB -0.31 -0.01 -0.00 -0.04 4.32 3.95 2pooA1 THR 73 HG23 -0.54 -0.02 -0.35 -0.04 1.22 0.27 2pooA1 THR 74 H 0.10 0.34 0.30 -0.55 8.28 8.48 2pooA1 THR 74 HA 0.06 0.21 0.95 -0.75 4.39 4.84 2pooA1 THR 74 HB 0.07 0.37 -0.21 -0.04 4.32 4.51 2pooA1 THR 74 HG23 0.02 -0.06 -0.55 -0.04 1.22 0.59 2pooA1 ASN 75 H 0.08 0.50 0.03 -0.55 8.53 8.59 2pooA1 ASN 75 HA 0.12 0.21 0.68 -0.75 4.76 5.02 2pooA1 ASN 75 HB2 0.12 -0.01 -0.10 -0.04 2.88 2.84 2pooA1 ASN 75 HB3 0.08 0.13 0.01 -0.04 2.79 2.97 2pooA1 ASN 75 HD21 0.07 -0.02 -0.02 -0.04 7.03 7.02 2pooA1 ASN 75 HD22 0.09 0.05 -0.03 -0.04 7.74 7.80 2pooA1 LYS 76 H 0.08 0.53 0.13 -0.55 8.42 8.60 2pooA1 LYS 76 HA 0.07 0.24 0.44 -0.75 4.32 4.31 2pooA1 LYS 76 HB2 0.08 -0.04 0.06 -0.04 1.87 1.92 2pooA1 LYS 76 HB3 0.08 -0.03 0.03 -0.04 1.79 1.83 2pooA1 LYS 76 HG2 0.06 0.19 0.05 -0.04 1.46 1.72 2pooA1 LYS 76 HG3 0.05 0.03 -0.03 -0.04 1.46 1.48 2pooA1 LYS 76 HD2 0.05 0.01 -0.08 -0.04 1.69 1.63 2pooA1 LYS 76 HD3 0.08 -0.08 -0.04 -0.04 1.68 1.60 2pooA1 LYS 76 HE2 0.07 -0.03 -0.14 -0.04 2.99 2.85 2pooA1 LYS 76 HE3 0.04 0.08 -0.26 -0.04 2.99 2.81 2pooA1 LYS 77 H 0.06 -0.07 -0.32 -0.55 8.42 7.54 2pooA1 LYS 77 HA 0.04 0.12 0.67 -0.75 4.32 4.39 2pooA1 LYS 77 HB2 0.05 -0.10 0.06 -0.04 1.87 1.84 2pooA1 LYS 77 HB3 0.04 -0.02 0.02 -0.04 1.79 1.78 2pooA1 LYS 77 HG2 0.04 0.01 -0.02 -0.04 1.46 1.46 2pooA1 LYS 77 HG3 0.04 -0.03 -0.01 -0.04 1.46 1.42 2pooA1 LYS 77 HD2 0.03 0.02 -0.05 -0.04 1.69 1.64 2pooA1 LYS 77 HD3 0.03 -0.05 -0.01 -0.04 1.68 1.62 2pooA1 LYS 77 HE2 0.03 0.18 0.01 -0.04 2.99 3.18 2pooA1 LYS 77 HE3 0.03 -0.08 -0.01 -0.04 2.99 2.89 2pooA1 SER 78 H 0.06 -0.11 -0.06 -0.55 8.46 7.81 2pooA1 SER 78 HA 0.07 0.22 0.73 -0.75 4.49 4.75 2pooA1 SER 78 HB2 0.09 -0.09 -0.00 -0.04 3.95 3.91 2pooA1 SER 78 HB3 0.09 0.05 0.06 -0.04 3.93 4.09 2pooA1 GLY 79 H 0.07 0.12 0.10 -0.55 8.43 8.18 2pooA1 GLY 79 HA2 0.02 0.03 0.47 -0.51 4.01 4.02 2pooA1 GLY 79 HA3 0.03 -0.07 0.25 -0.51 4.01 3.70 2pooA1 LEU 80 H -0.06 0.01 0.13 -0.55 8.37 7.90 2pooA1 LEU 80 HA -0.01 0.29 0.53 -0.75 4.35 4.41 2pooA1 LEU 80 HB2 -0.28 -0.10 0.07 -0.04 1.64 1.29 2pooA1 LEU 80 HB3 -0.10 0.02 -0.12 -0.04 1.64 1.39 2pooA1 LEU 80 HG -0.11 0.11 -0.10 -0.04 1.64 1.49 2pooA1 LEU 80 HD13 -0.08 0.00 -0.18 -0.04 0.93 0.63 2pooA1 LEU 80 HD23 -0.48 -0.03 -0.19 -0.04 0.89 0.15 2pooA1 ALA 81 H 0.01 0.49 0.32 -0.55 8.40 8.67 2pooA1 ALA 81 HA -0.09 0.19 0.90 -0.75 4.34 4.59 2pooA1 ALA 81 HB3 -0.08 0.00 0.01 -0.04 1.41 1.29 2pooA1 VAL 82 H -0.21 0.72 0.40 -0.55 8.24 8.60 2pooA1 VAL 82 HA -0.01 0.30 1.11 -0.75 4.13 4.78 2pooA1 VAL 82 HB 0.03 -0.11 0.22 -0.04 2.12 2.21 2pooA1 VAL 82 HG13 0.04 0.03 -0.02 -0.04 0.97 0.97 2pooA1 VAL 82 HG23 0.02 0.01 -0.21 -0.04 0.95 0.73 2pooA1 TYR 83 H 0.15 0.64 0.40 -0.55 8.29 8.93 2pooA1 TYR 83 HA 0.02 0.17 1.09 -0.75 4.56 5.08 2pooA1 TYR 83 HB2 -0.01 -0.05 -0.04 -0.04 3.06 2.93 2pooA1 TYR 83 HB3 0.02 0.01 -0.19 -0.04 2.98 2.79 2pooA1 TYR 83 HD2 -0.02 0.06 -0.39 -0.04 7.15 6.76 2pooA1 TYR 83 HE2 0.02 0.04 -0.13 -0.04 6.85 6.74 2pooA1 SER 84 H 0.16 0.52 0.24 -0.55 8.46 8.83 2pooA1 SER 84 HA 0.13 0.28 0.56 -0.75 4.49 4.70 2pooA1 SER 84 HB2 0.10 -0.03 0.23 -0.04 3.95 4.21 2pooA1 SER 84 HB3 0.09 0.12 0.12 -0.04 3.93 4.22 2pooA1 LEU 85 H 0.12 0.31 0.21 -0.55 8.37 8.46 2pooA1 LEU 85 HA 0.06 0.11 0.43 -0.75 4.35 4.19 2pooA1 LEU 85 HB2 0.16 0.03 0.13 -0.04 1.64 1.92 2pooA1 LEU 85 HB3 0.21 -0.03 0.00 -0.04 1.64 1.78 2pooA1 LEU 85 HG 0.10 0.22 0.01 -0.04 1.64 1.93 2pooA1 LEU 85 HD13 0.14 -0.01 0.11 -0.04 0.93 1.13 2pooA1 LEU 85 HD23 -0.03 -0.03 -0.14 -0.04 0.89 0.64 2pooA1 GLU 86 H 0.12 0.04 -0.14 -0.55 8.60 8.07 2pooA1 GLU 86 HA 0.14 0.17 0.54 -0.75 4.29 4.38 2pooA1 GLU 86 HB2 0.08 0.04 0.06 -0.04 2.09 2.23 2pooA1 GLU 86 HB3 0.09 0.04 0.09 -0.04 1.99 2.17 2pooA1 GLU 86 HG2 0.08 0.05 0.06 -0.04 2.34 2.50 2pooA1 GLU 86 HG3 0.10 -0.16 0.10 -0.04 2.34 2.33 2pooA1 GLY 87 H 0.11 0.24 -0.68 -0.55 8.43 7.55 2pooA1 GLY 87 HA2 0.04 0.03 0.12 -0.51 4.01 3.68 2pooA1 GLY 87 HA3 0.06 0.38 0.67 -0.51 4.01 4.61 2pooA1 LYS 88 H 0.12 -0.05 -0.14 -0.55 8.42 7.80 2pooA1 LYS 88 HA 0.12 0.12 0.57 -0.75 4.32 4.38 2pooA1 LYS 88 HB2 0.07 0.03 0.02 -0.04 1.87 1.95 2pooA1 LYS 88 HB3 0.07 -0.11 0.08 -0.04 1.79 1.80 2pooA1 LYS 88 HG2 0.02 -0.01 -0.08 -0.04 1.46 1.35 2pooA1 LYS 88 HG3 0.02 0.21 -0.23 -0.04 1.46 1.42 2pooA1 LYS 88 HD2 0.05 -0.01 0.05 -0.04 1.69 1.74 2pooA1 LYS 88 HD3 0.04 -0.03 0.00 -0.04 1.68 1.65 2pooA1 LYS 88 HE2 0.02 -0.03 0.02 -0.04 2.99 2.96 2pooA1 LYS 88 HE3 0.00 -0.00 0.01 -0.04 2.99 2.95 2pooA1 MET 89 H 0.11 0.15 0.22 -0.55 8.47 8.40 2pooA1 MET 89 HA -0.28 0.13 0.73 -0.75 4.52 4.35 2pooA1 MET 89 HB2 0.04 0.04 0.12 -0.04 2.15 2.30 2pooA1 MET 89 HB3 -0.07 -0.02 0.11 -0.04 2.03 2.01 2pooA1 MET 89 HG2 -0.54 0.18 0.09 -0.04 2.63 2.31 2pooA1 MET 89 HG3 -0.47 -0.02 -0.04 -0.04 2.56 1.98 2pooA1 MET 89 HE3 -0.03 -0.00 -0.07 -0.04 2.10 1.96 2pooA1 LEU 90 H -0.21 0.58 0.42 -0.55 8.37 8.61 2pooA1 LEU 90 HA -0.22 0.12 0.81 -0.75 4.35 4.30 2pooA1 LEU 90 HB2 -0.05 -0.02 0.08 -0.04 1.64 1.60 2pooA1 LEU 90 HB3 -0.20 0.06 0.05 -0.04 1.64 1.51 2pooA1 LEU 90 HG -0.01 0.01 -0.02 -0.04 1.64 1.57 2pooA1 LEU 90 HD13 0.07 0.00 -0.15 -0.04 0.93 0.81 2pooA1 LEU 90 HD23 -0.02 -0.00 -0.10 -0.04 0.89 0.73 2pooA1 HIS 91 H -0.19 0.26 0.31 -0.55 8.41 8.25 2pooA1 HIS 91 HA -0.23 0.19 0.87 -0.75 4.63 4.70 2pooA1 HIS 91 HB2 -0.15 0.02 0.05 -0.04 3.26 3.14 2pooA1 HIS 91 HB3 -0.45 -0.04 -0.02 -0.04 3.20 2.65 2pooA1 HIS 91 HD2 -0.07 0.09 -0.15 -0.04 6.97 6.80 2pooA1 HIS 91 HE1 -0.06 -0.06 -0.07 -0.04 7.75 7.52 2pooA1 SER 92 H -0.35 0.28 0.19 -0.55 8.46 8.03 2pooA1 SER 92 HA -0.23 0.20 0.99 -0.75 4.49 4.70 2pooA1 SER 92 HB2 -0.14 -0.01 -0.16 -0.04 3.95 3.60 2pooA1 SER 92 HB3 -0.16 -0.02 -0.00 -0.04 3.93 3.70 2pooA1 TYR 93 H -0.12 0.79 0.24 -0.55 8.29 8.65 2pooA1 TYR 93 HA -0.38 0.14 1.00 -0.75 4.56 4.56 2pooA1 TYR 93 HB2 -0.19 0.01 0.17 -0.04 3.06 3.01 2pooA1 TYR 93 HB3 -0.16 -0.08 0.12 -0.04 2.98 2.82 2pooA1 TYR 93 HD2 -0.17 0.05 -0.11 -0.04 7.15 6.88 2pooA1 TYR 93 HE2 -0.16 0.04 -0.07 -0.04 6.85 6.61 2pooA1 HIS 94 H -0.22 0.19 0.14 -0.55 8.41 7.97 2pooA1 HIS 94 HA 0.03 0.13 0.88 -0.75 4.63 4.91 2pooA1 HIS 94 HB2 0.02 0.01 0.10 -0.04 3.26 3.35 2pooA1 HIS 94 HB3 0.01 0.04 0.17 -0.04 3.20 3.38 2pooA1 HIS 94 HD2 -0.02 0.01 0.01 -0.04 6.97 6.92 2pooA1 HIS 94 HE1 -0.04 0.00 -0.14 -0.04 7.75 7.53 2pooA1 THR 95 H 0.07 0.07 -0.19 -0.55 8.28 7.67 2pooA1 THR 95 HA 0.06 0.21 0.96 -0.75 4.39 4.87 2pooA1 THR 95 HB 0.04 -0.03 0.08 -0.04 4.32 4.36 2pooA1 THR 95 HG23 0.02 0.01 -0.08 -0.04 1.22 1.13 2pooA1 GLY 96 H 0.03 0.14 0.09 -0.55 8.43 8.14 2pooA1 GLY 96 HA2 0.01 -0.05 0.31 -0.51 4.01 3.77 2pooA1 GLY 96 HA3 0.02 0.13 0.66 -0.51 4.01 4.32 2pooA1 LYS 97 H 0.01 -0.07 0.00 -0.55 8.42 7.81 2pooA1 LYS 97 HA 0.03 0.47 0.57 -0.75 4.32 4.64 2pooA1 LYS 97 HB2 0.02 -0.22 -0.01 -0.04 1.87 1.62 2pooA1 LYS 97 HB3 0.03 -0.10 0.24 -0.04 1.79 1.91 2pooA1 LYS 97 HG2 0.03 -0.07 0.01 -0.04 1.46 1.38 2pooA1 LYS 97 HG3 0.04 0.37 0.08 -0.04 1.46 1.92 2pooA1 LYS 97 HD2 0.03 0.31 -0.01 -0.04 1.69 1.98 2pooA1 LYS 97 HD3 0.02 -0.24 -0.05 -0.04 1.68 1.37 2pooA1 LYS 97 HE2 0.02 -0.12 0.05 -0.04 2.99 2.90 2pooA1 LYS 97 HE3 0.03 0.08 0.17 -0.04 2.99 3.23 2pooA1 LEU 98 H 0.02 0.27 -0.26 -0.55 8.37 7.86 2pooA1 LEU 98 HA -0.00 0.28 0.66 -0.75 4.35 4.54 2pooA1 LEU 98 HB2 0.00 0.06 -0.05 -0.04 1.64 1.61 2pooA1 LEU 98 HB3 -0.02 -0.02 -0.23 -0.04 1.64 1.33 2pooA1 LEU 98 HG 0.00 -0.04 -0.16 -0.04 1.64 1.40 2pooA1 LEU 98 HD13 -0.02 -0.05 -0.33 -0.04 0.93 0.50 2pooA1 LEU 98 HD23 0.01 -0.07 -0.08 -0.04 0.89 0.72 2pooA1 ASN 99 H 0.01 0.38 0.26 -0.55 8.53 8.63 2pooA1 ASN 99 HA 0.06 0.17 0.69 -0.75 4.76 4.93 2pooA1 ASN 99 HB2 0.12 0.07 0.05 -0.04 2.88 3.07 2pooA1 ASN 99 HB3 0.08 0.05 0.21 -0.04 2.79 3.08 2pooA1 ASN 99 HD21 -0.35 -0.12 -0.25 -0.04 7.03 6.27 2pooA1 ASN 99 HD22 -0.03 0.32 -0.24 -0.04 7.74 7.74 2pooA1 ASN 100 H 0.05 0.16 0.19 -0.55 8.53 8.38 2pooA1 ASN 100 HA 0.07 0.16 0.95 -0.75 4.76 5.19 2pooA1 ASN 100 HB2 0.17 -0.04 0.18 -0.04 2.88 3.15 2pooA1 ASN 100 HB3 0.16 0.16 0.08 -0.04 2.79 3.16 2pooA1 ASN 100 HD21 -0.03 -0.06 -0.08 -0.04 7.03 6.82 2pooA1 ASN 100 HD22 0.06 -0.06 0.16 -0.04 7.74 7.86 2pooA1 VAL 101 H 0.08 0.22 0.05 -0.55 8.24 8.04 2pooA1 VAL 101 HA 0.02 0.32 0.90 -0.75 4.13 4.61 2pooA1 VAL 101 HB -0.01 -0.04 -0.34 -0.04 2.12 1.69 2pooA1 VAL 101 HG13 0.02 -0.00 -0.35 -0.04 0.97 0.60 2pooA1 VAL 101 HG23 -0.00 -0.02 -0.31 -0.04 0.95 0.58 2pooA1 ASP 102 H 0.19 0.60 0.31 -0.55 8.40 8.95 2pooA1 ASP 102 HA 0.14 0.16 0.75 -0.75 4.63 4.92 2pooA1 ASP 102 HB2 0.26 0.11 -0.09 -0.04 2.71 2.94 2pooA1 ASP 102 HB3 0.30 -0.06 0.02 -0.04 2.70 2.92 2pooA1 ILE 103 H 0.11 0.21 0.27 -0.55 8.25 8.29 2pooA1 ILE 103 HA 0.04 0.34 1.10 -0.75 4.18 4.91 2pooA1 ILE 103 HB -0.03 0.15 0.05 -0.04 1.89 2.01 2pooA1 ILE 103 HG12 0.03 0.10 -0.10 -0.04 1.49 1.48 2pooA1 ILE 103 HG13 -0.12 -0.02 -0.39 -0.04 1.21 0.65 2pooA1 ILE 103 HG23 0.06 -0.02 -0.31 -0.04 0.93 0.63 2pooA1 ILE 103 HD13 -0.50 -0.02 -0.15 -0.04 0.88 0.17 2pooA1 ARG 104 H -0.06 0.60 0.39 -0.55 8.46 8.83 2pooA1 ARG 104 HA 0.06 0.10 0.62 -0.75 4.34 4.37 2pooA1 ARG 104 HB2 0.17 -0.02 -0.01 -0.04 1.90 1.99 2pooA1 ARG 104 HB3 0.27 0.10 0.01 -0.04 1.80 2.14 2pooA1 ARG 104 HG2 0.18 -0.03 -0.27 -0.04 1.67 1.51 2pooA1 ARG 104 HG3 0.25 -0.03 -0.16 -0.04 1.67 1.69 2pooA1 ARG 104 HD2 0.19 -0.00 0.11 -0.04 3.22 3.48 2pooA1 ARG 104 HD3 0.17 0.19 0.34 -0.04 3.22 3.88 2pooA1 TYR 105 H 0.30 0.20 0.14 -0.55 8.29 8.38 2pooA1 TYR 105 HA 0.13 0.07 0.93 -0.75 4.56 4.94 2pooA1 TYR 105 HB2 0.03 0.08 -0.03 -0.04 3.06 3.10 2pooA1 TYR 105 HB3 0.06 -0.01 0.05 -0.04 2.98 3.03 2pooA1 TYR 105 HD2 0.06 0.03 -0.01 -0.04 7.15 7.19 2pooA1 TYR 105 HE2 -0.20 0.08 0.02 -0.04 6.85 6.70 2pooA1 ASP 106 H 0.22 0.05 -0.06 -0.55 8.40 8.06 2pooA1 ASP 106 HA 0.11 -0.04 0.05 -0.75 4.63 3.99 2pooA1 ASP 106 HB2 0.11 0.13 -0.16 -0.04 2.71 2.75 2pooA1 ASP 106 HB3 0.07 0.02 0.14 -0.04 2.70 2.89 2pooA1 PHE 107 H 0.10 0.52 -0.07 -0.55 8.34 8.34 2pooA1 PHE 107 HA -0.43 0.17 0.51 -0.75 4.62 4.11 2pooA1 PHE 107 HB2 -0.50 -0.02 -0.02 -0.04 3.15 2.57 2pooA1 PHE 107 HB3 -0.23 -0.04 0.05 -0.04 3.06 2.80 2pooA1 PHE 107 HD2 -0.82 -0.06 -0.35 -0.04 7.28 6.02 2pooA1 PHE 107 HE2 -0.19 0.00 -0.16 -0.04 7.38 7.00 2pooA1 PHE 107 HZ -0.11 -0.14 -0.40 -0.04 7.32 6.62 2pooA1 PRO 108 HA -0.07 0.26 0.59 -0.51 4.44 4.71 2pooA1 PRO 108 HB2 -0.14 -0.07 0.10 -0.04 2.28 2.13 2pooA1 PRO 108 HB3 -0.11 0.05 0.09 -0.04 2.02 2.01 2pooA1 PRO 108 HG2 -0.53 -0.05 0.22 -0.04 2.03 1.62 2pooA1 PRO 108 HG3 -0.21 0.06 0.14 -0.04 2.03 1.99 2pooA1 PRO 108 HD2 -0.81 0.03 0.26 -0.04 3.68 3.13 2pooA1 PRO 108 HD3 -0.16 0.32 0.31 -0.04 3.65 4.08 2pooA1 LEU 109 H 0.04 0.50 0.20 -0.55 8.37 8.56 2pooA1 LEU 109 HA 0.11 0.11 0.85 -0.75 4.35 4.67 2pooA1 LEU 109 HB2 0.19 0.00 -0.08 -0.04 1.64 1.71 2pooA1 LEU 109 HB3 0.05 -0.04 0.11 -0.04 1.64 1.71 2pooA1 LEU 109 HG -0.00 0.04 -0.16 -0.04 1.64 1.48 2pooA1 LEU 109 HD13 0.08 -0.01 -0.20 -0.04 0.93 0.75 2pooA1 LEU 109 HD23 -0.04 0.00 -0.07 -0.04 0.89 0.75 2pooA1 ASN 110 H -0.01 0.22 -0.14 -0.55 8.53 8.06 2pooA1 ASN 110 HA -0.02 -0.02 0.34 -0.75 4.76 4.30 2pooA1 ASN 110 HB2 -0.03 0.06 -0.06 -0.04 2.88 2.81 2pooA1 ASN 110 HB3 -0.03 0.02 0.03 -0.04 2.79 2.77 2pooA1 ASN 110 HD21 -0.00 0.13 -0.03 -0.04 7.03 7.08 2pooA1 ASN 110 HD22 -0.02 -0.03 0.03 -0.04 7.74 7.69 2pooA1 GLY 111 H -0.02 0.10 -0.05 -0.55 8.43 7.92 2pooA1 GLY 111 HA2 -0.01 -0.02 0.35 -0.51 4.01 3.82 2pooA1 GLY 111 HA3 -0.01 0.18 0.69 -0.51 4.01 4.35 2pooA1 LYS 112 H -0.01 0.46 -0.54 -0.55 8.42 7.77 2pooA1 LYS 112 HA 0.00 0.21 0.90 -0.75 4.32 4.67 2pooA1 LYS 112 HB2 0.00 0.10 -0.04 -0.04 1.87 1.89 2pooA1 LYS 112 HB3 0.01 -0.05 0.03 -0.04 1.79 1.74 2pooA1 LYS 112 HG2 0.00 0.01 -0.08 -0.04 1.46 1.35 2pooA1 LYS 112 HG3 -0.01 -0.02 -0.29 -0.04 1.46 1.10 2pooA1 LYS 112 HD2 -0.01 0.05 -0.03 -0.04 1.69 1.66 2pooA1 LYS 112 HD3 -0.00 -0.04 -0.03 -0.04 1.68 1.57 2pooA1 LYS 112 HE2 -0.01 -0.03 -0.02 -0.04 2.99 2.90 2pooA1 LYS 112 HE3 -0.01 -0.02 -0.03 -0.04 2.99 2.89 2pooA1 LYS 113 H 0.02 0.20 0.08 -0.55 8.42 8.17 2pooA1 LYS 113 HA 0.02 0.25 0.58 -0.75 4.32 4.42 2pooA1 LYS 113 HB2 0.04 -0.03 0.11 -0.04 1.87 1.94 2pooA1 LYS 113 HB3 0.05 -0.07 -0.10 -0.04 1.79 1.63 2pooA1 LYS 113 HG2 -0.00 0.14 -0.20 -0.04 1.46 1.36 2pooA1 LYS 113 HG3 0.00 -0.05 -0.29 -0.04 1.46 1.09 2pooA1 LYS 113 HD2 0.02 -0.05 -0.02 -0.04 1.69 1.60 2pooA1 LYS 113 HD3 0.03 0.02 -0.01 -0.04 1.68 1.68 2pooA1 LYS 113 HE2 0.00 -0.02 -0.06 -0.04 2.99 2.86 2pooA1 LYS 113 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.93 2pooA1 VAL 114 H 0.07 0.74 0.11 -0.55 8.24 8.62 2pooA1 VAL 114 HA 0.05 0.19 1.08 -0.75 4.13 4.70 2pooA1 VAL 114 HB -0.02 0.03 0.02 -0.04 2.12 2.10 2pooA1 VAL 114 HG13 0.00 0.00 -0.15 -0.04 0.97 0.78 2pooA1 VAL 114 HG23 0.03 0.04 -0.07 -0.04 0.95 0.91 2pooA1 ASP 115 H 0.07 0.20 0.24 -0.55 8.40 8.36 2pooA1 ASP 115 HA 0.07 0.05 0.84 -0.75 4.63 4.83 2pooA1 ASP 115 HB2 0.13 0.01 0.19 -0.04 2.71 3.00 2pooA1 ASP 115 HB3 0.18 0.07 0.05 -0.04 2.70 2.96 2pooA1 ILE 116 H -0.06 0.68 0.39 -0.55 8.25 8.71 2pooA1 ILE 116 HA -0.09 0.31 1.35 -0.75 4.18 5.00 2pooA1 ILE 116 HB -0.13 0.00 -0.11 -0.04 1.89 1.60 2pooA1 ILE 116 HG12 -0.08 0.05 0.03 -0.04 1.49 1.45 2pooA1 ILE 116 HG13 -0.03 -0.15 0.14 -0.04 1.21 1.12 2pooA1 ILE 116 HG23 -0.24 0.02 -0.25 -0.04 0.93 0.42 2pooA1 ILE 116 HD13 -0.18 -0.00 -0.13 -0.04 0.88 0.52 2pooA1 ALA 117 H -0.04 0.49 0.19 -0.55 8.40 8.50 2pooA1 ALA 117 HA 0.01 0.27 0.91 -0.75 4.34 4.78 2pooA1 ALA 117 HB3 -0.04 -0.02 -0.10 -0.04 1.41 1.21 2pooA1 ALA 118 H 0.08 0.70 0.32 -0.55 8.40 8.96 2pooA1 ALA 118 HA -0.06 0.16 0.98 -0.75 4.34 4.67 2pooA1 ALA 118 HB3 0.07 0.00 -0.04 -0.04 1.41 1.39 2pooA1 ALA 119 H -0.34 0.45 0.22 -0.55 8.40 8.19 2pooA1 ALA 119 HA -0.78 0.34 0.90 -0.75 4.34 4.05 2pooA1 ALA 119 HB3 -0.11 -0.04 -0.19 -0.04 1.41 1.03 2pooA1 SER 120 H -0.28 0.24 0.24 -0.55 8.46 8.12 2pooA1 SER 120 HA -0.18 0.15 0.90 -0.75 4.49 4.60 2pooA1 SER 120 HB2 0.05 0.05 -0.07 -0.04 3.95 3.94 2pooA1 SER 120 HB3 0.12 0.02 0.06 -0.04 3.93 4.09 2pooA1 ASN 121 H -0.08 0.83 0.31 -0.55 8.53 9.05 2pooA1 ASN 121 HA -0.02 0.18 0.77 -0.75 4.76 4.93 2pooA1 ASN 121 HB2 -0.07 -0.04 -0.17 -0.04 2.88 2.55 2pooA1 ASN 121 HB3 -0.06 -0.04 -0.03 -0.04 2.79 2.62 2pooA1 ASN 121 HD21 -0.02 -0.02 -0.06 -0.04 7.03 6.89 2pooA1 ASN 121 HD22 -0.06 0.03 -0.12 -0.04 7.74 7.55 2pooA1 ARG 122 H 0.01 0.23 0.20 -0.55 8.46 8.35 2pooA1 ARG 122 HA 0.00 0.38 0.96 -0.75 4.34 4.92 2pooA1 ARG 122 HB2 0.04 0.17 0.14 -0.04 1.90 2.20 2pooA1 ARG 122 HB3 0.02 -0.06 0.09 -0.04 1.80 1.81 2pooA1 ARG 122 HG2 0.03 0.00 0.06 -0.04 1.67 1.72 2pooA1 ARG 122 HG3 0.04 0.05 0.04 -0.04 1.67 1.76 2pooA1 ARG 122 HD2 0.00 -0.05 0.06 -0.04 3.22 3.20 2pooA1 ARG 122 HD3 0.01 -0.07 0.11 -0.04 3.22 3.23 2pooA1 SER 123 H -0.00 -0.14 0.02 -0.55 8.46 7.79 2pooA1 SER 123 HA 0.01 0.08 0.41 -0.75 4.49 4.23 2pooA1 SER 123 HB2 0.01 -0.17 0.09 -0.04 3.95 3.83 2pooA1 SER 123 HB3 -0.01 0.01 0.04 -0.04 3.93 3.93 2pooA1 GLU 124 H 0.00 0.14 0.20 -0.55 8.60 8.40 2pooA1 GLU 124 HA -0.00 0.04 0.38 -0.75 4.29 3.95 2pooA1 GLU 124 HB2 -0.01 0.07 -0.17 -0.04 2.09 1.94 2pooA1 GLU 124 HB3 -0.01 0.04 0.25 -0.04 1.99 2.22 2pooA1 GLU 124 HG2 -0.00 0.03 0.06 -0.04 2.34 2.39 2pooA1 GLU 124 HG3 0.00 -0.03 0.07 -0.04 2.34 2.34 2pooA1 GLY 125 H -0.00 0.19 -0.06 -0.55 8.43 8.01 2pooA1 GLY 125 HA2 -0.00 0.03 0.34 -0.51 4.01 3.86 2pooA1 GLY 125 HA3 -0.01 0.03 0.42 -0.51 4.01 3.94 2pooA1 LYS 126 H -0.01 0.26 -0.82 -0.55 8.42 7.30 2pooA1 LYS 126 HA -0.02 0.08 0.50 -0.75 4.32 4.13 2pooA1 LYS 126 HB2 -0.02 0.18 0.02 -0.04 1.87 2.00 2pooA1 LYS 126 HB3 -0.03 -0.14 -0.15 -0.04 1.79 1.42 2pooA1 LYS 126 HG2 -0.02 0.05 -0.04 -0.04 1.46 1.41 2pooA1 LYS 126 HG3 -0.04 -0.03 -0.05 -0.04 1.46 1.30 2pooA1 LYS 126 HD2 -0.04 -0.08 -0.12 -0.04 1.69 1.40 2pooA1 LYS 126 HD3 -0.03 0.02 0.05 -0.04 1.68 1.68 2pooA1 LYS 126 HE2 -0.04 -0.02 -0.07 -0.04 2.99 2.83 2pooA1 LYS 126 HE3 -0.03 0.04 -0.04 -0.04 2.99 2.92 2pooA1 ASN 127 H -0.03 0.11 0.02 -0.55 8.53 8.09 2pooA1 ASN 127 HA -0.01 0.42 0.93 -0.75 4.76 5.33 2pooA1 ASN 127 HB2 -0.01 0.07 0.17 -0.04 2.88 3.08 2pooA1 ASN 127 HB3 0.00 -0.15 0.13 -0.04 2.79 2.74 2pooA1 ASN 127 HD21 -0.00 0.34 -0.14 -0.04 7.03 7.19 2pooA1 ASN 127 HD22 -0.00 -0.04 -0.08 -0.04 7.74 7.57 2pooA1 THR 128 H -0.05 0.24 -0.01 -0.55 8.28 7.90 2pooA1 THR 128 HA -0.11 0.29 0.97 -0.75 4.39 4.79 2pooA1 THR 128 HB -0.13 -0.01 -0.09 -0.04 4.32 4.04 2pooA1 THR 128 HG23 -0.09 -0.01 -0.29 -0.04 1.22 0.79 2pooA1 ILE 129 H -0.18 0.47 0.20 -0.55 8.25 8.19 2pooA1 ILE 129 HA -0.19 0.18 1.05 -0.75 4.18 4.46 2pooA1 ILE 129 HB -0.05 0.06 -0.01 -0.04 1.89 1.84 2pooA1 ILE 129 HG12 -0.20 -0.04 -0.06 -0.04 1.49 1.15 2pooA1 ILE 129 HG13 -0.19 -0.07 0.18 -0.04 1.21 1.10 2pooA1 ILE 129 HG23 -0.09 0.03 -0.20 -0.04 0.93 0.63 2pooA1 ILE 129 HD13 0.06 0.02 -0.24 -0.04 0.88 0.69 2pooA1 GLU 130 H -0.24 0.37 0.13 -0.55 8.60 8.32 2pooA1 GLU 130 HA -0.30 0.07 0.75 -0.75 4.29 4.05 2pooA1 GLU 130 HB2 -0.17 -0.02 -0.04 -0.04 2.09 1.81 2pooA1 GLU 130 HB3 -0.59 -0.01 -0.02 -0.04 1.99 1.32 2pooA1 GLU 130 HG2 -0.14 0.00 -0.14 -0.04 2.34 2.02 2pooA1 GLU 130 HG3 -0.06 -0.00 -0.12 -0.04 2.34 2.12 2pooA1 ILE 131 H -0.52 0.16 0.19 -0.55 8.25 7.53 2pooA1 ILE 131 HA -0.25 0.24 0.94 -0.75 4.18 4.35 2pooA1 ILE 131 HB -0.27 -0.08 -0.02 -0.04 1.89 1.48 2pooA1 ILE 131 HG12 -0.13 0.05 -0.19 -0.04 1.49 1.18 2pooA1 ILE 131 HG13 -0.20 -0.02 -0.76 -0.04 1.21 0.19 2pooA1 ILE 131 HG23 -0.25 0.01 -0.23 -0.04 0.93 0.43 2pooA1 ILE 131 HD13 -0.17 0.00 -0.20 -0.04 0.88 0.47 2pooA1 TYR 132 H -0.05 0.75 0.30 -0.55 8.29 8.73 2pooA1 TYR 132 HA -0.16 0.23 0.95 -0.75 4.56 4.82 2pooA1 TYR 132 HB2 -0.18 0.02 -0.05 -0.04 3.06 2.80 2pooA1 TYR 132 HB3 -0.21 -0.08 -0.12 -0.04 2.98 2.52 2pooA1 TYR 132 HD2 -0.21 0.10 -0.30 -0.04 7.15 6.70 2pooA1 TYR 132 HE2 -0.20 0.01 -0.18 -0.04 6.85 6.44 2pooA1 ALA 133 H -0.03 0.55 0.33 -0.55 8.40 8.71 2pooA1 ALA 133 HA -0.09 0.25 0.89 -0.75 4.34 4.63 2pooA1 ALA 133 HB3 -0.07 -0.00 0.07 -0.04 1.41 1.36 2pooA1 ILE 134 H -0.16 0.58 0.24 -0.55 8.25 8.37 2pooA1 ILE 134 HA -0.28 0.19 0.82 -0.75 4.18 4.16 2pooA1 ILE 134 HB -0.50 -0.06 0.06 -0.04 1.89 1.34 2pooA1 ILE 134 HG12 -0.28 0.02 -0.23 -0.04 1.49 0.96 2pooA1 ILE 134 HG13 -0.19 -0.02 -0.25 -0.04 1.21 0.71 2pooA1 ILE 134 HG23 -1.09 -0.00 -0.33 -0.04 0.93 -0.54 2pooA1 ILE 134 HD13 -0.19 -0.02 -0.35 -0.04 0.88 0.28 2pooA1 ASP 135 H -0.26 0.82 0.24 -0.55 8.40 8.66 2pooA1 ASP 135 HA -0.16 0.08 0.64 -0.75 4.63 4.44 2pooA1 ASP 135 HB2 -0.13 0.11 0.00 -0.04 2.71 2.65 2pooA1 ASP 135 HB3 -0.16 -0.27 0.21 -0.04 2.70 2.43 2pooA1 GLY 136 H -0.15 0.19 0.14 -0.55 8.43 8.07 2pooA1 GLY 136 HA2 -0.72 0.12 0.25 -0.51 4.01 3.15 2pooA1 GLY 136 HA3 0.08 0.03 0.31 -0.51 4.01 3.92 2pooA1 LYS 137 H 0.01 0.04 -0.02 -0.55 8.42 7.90 2pooA1 LYS 137 HA 0.08 0.11 0.33 -0.75 4.32 4.09 2pooA1 LYS 137 HB2 0.04 -0.04 0.12 -0.04 1.87 1.94 2pooA1 LYS 137 HB3 0.01 -0.04 0.05 -0.04 1.79 1.77 2pooA1 LYS 137 HG2 0.04 0.04 -0.09 -0.04 1.46 1.41 2pooA1 LYS 137 HG3 0.05 0.02 0.03 -0.04 1.46 1.52 2pooA1 LYS 137 HD2 0.03 -0.03 0.01 -0.04 1.69 1.67 2pooA1 LYS 137 HD3 0.02 0.00 -0.01 -0.04 1.68 1.65 2pooA1 LYS 137 HE2 0.03 0.01 -0.02 -0.04 2.99 2.97 2pooA1 LYS 137 HE3 0.04 0.01 -0.01 -0.04 2.99 2.99 2pooA1 ASN 138 H -0.03 -0.05 -0.16 -0.55 8.53 7.75 2pooA1 ASN 138 HA 0.06 0.17 0.48 -0.75 4.76 4.72 2pooA1 ASN 138 HB2 -0.08 -0.12 -0.00 -0.04 2.88 2.64 2pooA1 ASN 138 HB3 0.01 0.07 -0.03 -0.04 2.79 2.79 2pooA1 ASN 138 HD21 -0.02 0.03 -0.02 -0.04 7.03 6.98 2pooA1 ASN 138 HD22 -0.05 -0.04 -0.01 -0.04 7.74 7.60 2pooA1 GLY 139 H -0.10 0.23 -0.17 -0.55 8.43 7.84 2pooA1 GLY 139 HA2 -0.13 0.10 0.24 -0.51 4.01 3.71 2pooA1 GLY 139 HA3 0.07 0.12 0.60 -0.51 4.01 4.28 2pooA1 THR 140 H -0.19 -0.03 0.05 -0.55 8.28 7.57 2pooA1 THR 140 HA -0.27 0.22 0.81 -0.75 4.39 4.40 2pooA1 THR 140 HB -0.15 0.07 0.00 -0.04 4.32 4.20 2pooA1 THR 140 HG23 -0.55 0.02 -0.17 -0.04 1.22 0.48 2pooA1 LEU 141 H -0.10 0.21 0.12 -0.55 8.37 8.05 2pooA1 LEU 141 HA -0.19 0.38 0.99 -0.75 4.35 4.77 2pooA1 LEU 141 HB2 -0.72 -0.03 -0.00 -0.04 1.64 0.85 2pooA1 LEU 141 HB3 -0.45 -0.03 -0.11 -0.04 1.64 1.01 2pooA1 LEU 141 HG -0.21 -0.00 -0.48 -0.04 1.64 0.90 2pooA1 LEU 141 HD13 -0.40 0.00 -0.20 -0.04 0.93 0.29 2pooA1 LEU 141 HD23 -0.22 0.02 -0.23 -0.04 0.89 0.42 2pooA1 GLN 142 H -0.06 0.47 0.26 -0.55 8.47 8.59 2pooA1 GLN 142 HA -0.04 0.15 0.97 -0.75 4.36 4.68 2pooA1 GLN 142 HB2 -0.04 0.12 -0.01 -0.04 2.15 2.18 2pooA1 GLN 142 HB3 -0.05 0.04 -0.07 -0.04 2.02 1.90 2pooA1 GLN 142 HG2 -0.06 -0.11 0.13 -0.04 2.40 2.31 2pooA1 GLN 142 HG3 -0.05 0.05 -0.06 -0.04 2.39 2.29 2pooA1 GLN 142 HE21 -0.11 -0.09 -0.27 -0.04 6.97 6.45 2pooA1 GLN 142 HE22 -0.08 -0.01 -0.24 -0.04 7.69 7.32 2pooA1 SER 143 H 0.01 0.14 0.13 -0.55 8.46 8.20 2pooA1 SER 143 HA -0.31 0.16 0.60 -0.75 4.49 4.18 2pooA1 SER 143 HB2 -0.07 -0.02 0.14 -0.04 3.95 3.96 2pooA1 SER 143 HB3 -0.08 0.04 0.16 -0.04 3.93 4.02 2pooA1 ILE 144 H -0.22 0.54 0.36 -0.55 8.25 8.38 2pooA1 ILE 144 HA 0.02 0.30 1.07 -0.75 4.18 4.81 2pooA1 ILE 144 HB -0.05 -0.03 0.17 -0.04 1.89 1.93 2pooA1 ILE 144 HG12 -0.17 0.05 -0.23 -0.04 1.49 1.09 2pooA1 ILE 144 HG13 -0.19 -0.05 -0.21 -0.04 1.21 0.71 2pooA1 ILE 144 HG23 -0.06 0.04 -0.12 -0.04 0.93 0.75 2pooA1 ILE 144 HD13 -0.17 -0.00 -0.23 -0.04 0.88 0.44 2pooA1 THR 145 H -0.18 0.05 0.05 -0.55 8.28 7.65 2pooA1 THR 145 HA -0.12 0.22 0.96 -0.75 4.39 4.71 2pooA1 THR 145 HB -0.20 0.04 0.09 -0.04 4.32 4.22 2pooA1 THR 145 HG23 -0.21 0.05 0.08 -0.04 1.22 1.10 2pooA1 ASP 146 H -0.29 0.23 0.10 -0.55 8.40 7.90 2pooA1 ASP 146 HA -1.41 0.15 0.34 -0.75 4.63 2.96 2pooA1 ASP 146 HB2 -0.32 0.03 0.10 -0.04 2.71 2.48 2pooA1 ASP 146 HB3 -0.26 0.10 0.10 -0.04 2.70 2.60 2pooA1 PRO 147 HA -0.16 0.08 0.35 -0.51 4.44 4.20 2pooA1 PRO 147 HB2 -0.08 0.03 -0.01 -0.04 2.28 2.18 2pooA1 PRO 147 HB3 -0.10 0.03 0.08 -0.04 2.02 1.99 2pooA1 PRO 147 HG2 -0.12 -0.01 0.02 -0.04 2.03 1.88 2pooA1 PRO 147 HG3 -0.05 0.07 0.05 -0.04 2.03 2.05 2pooA1 PRO 147 HD2 -0.80 0.03 0.20 -0.04 3.68 3.06 2pooA1 PRO 147 HD3 -0.33 0.35 0.21 -0.04 3.65 3.83 2pooA1 ASN 148 H -0.20 -0.04 -0.42 -0.55 8.53 7.33 2pooA1 ASN 148 HA -0.07 0.18 0.69 -0.75 4.76 4.80 2pooA1 ASN 148 HB2 -0.09 -0.04 0.01 -0.04 2.88 2.72 2pooA1 ASN 148 HB3 -0.05 0.03 0.02 -0.04 2.79 2.75 2pooA1 ASN 148 HD21 -0.02 0.03 -0.03 -0.04 7.03 6.97 2pooA1 ASN 148 HD22 -0.04 -0.01 -0.02 -0.04 7.74 7.63 2pooA1 ARG 149 H -0.17 -0.07 -0.25 -0.55 8.46 7.42 2pooA1 ARG 149 HA -0.08 0.25 0.90 -0.75 4.34 4.66 2pooA1 ARG 149 HB2 -0.09 -0.13 0.07 -0.04 1.90 1.71 2pooA1 ARG 149 HB3 -0.07 -0.01 0.20 -0.04 1.80 1.88 2pooA1 ARG 149 HG2 -0.04 0.10 0.03 -0.04 1.67 1.72 2pooA1 ARG 149 HG3 -0.04 -0.03 -0.10 -0.04 1.67 1.45 2pooA1 ARG 149 HD2 -0.03 0.03 0.02 -0.04 3.22 3.21 2pooA1 ARG 149 HD3 -0.02 0.00 -0.00 -0.04 3.22 3.16 2pooA1 PRO 150 HA -0.15 0.05 0.46 -0.51 4.44 4.30 2pooA1 PRO 150 HB2 -0.12 -0.05 -0.11 -0.04 2.28 1.96 2pooA1 PRO 150 HB3 -0.13 0.04 -0.02 -0.04 2.02 1.87 2pooA1 PRO 150 HG2 -0.08 -0.03 -0.07 -0.04 2.03 1.82 2pooA1 PRO 150 HG3 -0.08 0.05 -0.07 -0.04 2.03 1.89 2pooA1 PRO 150 HD2 -0.08 0.20 -0.01 -0.04 3.68 3.75 2pooA1 PRO 150 HD3 -0.10 0.18 -0.39 -0.04 3.65 3.31 2pooA1 ILE 151 H -0.16 0.14 0.12 -0.55 8.25 7.80 2pooA1 ILE 151 HA -0.15 0.18 0.76 -0.75 4.18 4.21 2pooA1 ILE 151 HB -0.24 0.04 0.30 -0.04 1.89 1.94 2pooA1 ILE 151 HG12 -0.12 -0.08 0.10 -0.04 1.49 1.35 2pooA1 ILE 151 HG13 -0.16 -0.02 0.13 -0.04 1.21 1.13 2pooA1 ILE 151 HG23 -0.53 0.01 -0.07 -0.04 0.93 0.30 2pooA1 ILE 151 HD13 -0.14 0.03 -0.11 -0.04 0.88 0.61 2pooA1 ALA 152 H -0.09 0.34 0.04 -0.55 8.40 8.14 2pooA1 ALA 152 HA -0.09 0.12 0.70 -0.75 4.34 4.31 2pooA1 ALA 152 HB3 -0.04 0.01 -0.05 -0.04 1.41 1.29 2pooA1 SER 153 H -0.03 0.60 0.31 -0.55 8.46 8.80 2pooA1 SER 153 HA 0.13 0.11 0.80 -0.75 4.49 4.78 2pooA1 SER 153 HB2 0.03 0.01 -0.09 -0.04 3.95 3.85 2pooA1 SER 153 HB3 0.01 0.22 0.11 -0.04 3.93 4.24 2pooA1 ALA 154 H 0.06 0.12 0.09 -0.55 8.40 8.12 2pooA1 ALA 154 HA 0.01 0.20 0.55 -0.75 4.34 4.34 2pooA1 ALA 154 HB3 0.01 0.01 0.05 -0.04 1.41 1.43 2pooA1 ILE 155 H 0.02 0.01 -0.36 -0.55 8.25 7.37 2pooA1 ILE 155 HA 0.01 0.05 0.50 -0.75 4.18 3.99 2pooA1 ILE 155 HB 0.02 0.05 -0.15 -0.04 1.89 1.77 2pooA1 ILE 155 HG12 -0.00 -0.01 -0.21 -0.04 1.49 1.23 2pooA1 ILE 155 HG13 0.00 -0.08 -0.17 -0.04 1.21 0.92 2pooA1 ILE 155 HG23 0.02 -0.07 -0.31 -0.04 0.93 0.53 2pooA1 ILE 155 HD13 -0.00 0.01 -0.43 -0.04 0.88 0.42 2pooA1 ASP 156 H 0.00 0.09 0.10 -0.55 8.40 8.04 2pooA1 ASP 156 HA -0.00 0.16 0.28 -0.75 4.63 4.31 2pooA1 ASP 156 HB2 -0.01 -0.09 0.06 -0.04 2.71 2.63 2pooA1 ASP 156 HB3 -0.01 0.05 0.03 -0.04 2.70 2.73 2pooA1 GLU 157 H 0.00 -0.05 -0.42 -0.55 8.60 7.58 2pooA1 GLU 157 HA 0.00 0.24 0.59 -0.75 4.29 4.37 2pooA1 GLU 157 HB2 -0.03 0.08 -0.17 -0.04 2.09 1.94 2pooA1 GLU 157 HB3 -0.04 -0.22 0.11 -0.04 1.99 1.80 2pooA1 GLU 157 HG2 -0.08 -0.04 -0.11 -0.04 2.34 2.06 2pooA1 GLU 157 HG3 -0.01 0.14 0.02 -0.04 2.34 2.45 2pooA1 VAL 158 H 0.03 0.24 0.01 -0.55 8.24 7.97 2pooA1 VAL 158 HA 0.08 0.09 0.58 -0.75 4.13 4.12 2pooA1 VAL 158 HB 0.09 0.03 -0.03 -0.04 2.12 2.16 2pooA1 VAL 158 HG13 0.03 0.01 -0.07 -0.04 0.97 0.90 2pooA1 VAL 158 HG23 0.03 0.02 -0.03 -0.04 0.95 0.93 2pooA1 TYR 159 H 0.20 0.61 0.29 -0.55 8.29 8.84 2pooA1 TYR 159 HA 0.06 0.17 0.83 -0.75 4.56 4.86 2pooA1 TYR 159 HB2 0.05 -0.06 -0.14 -0.04 3.06 2.87 2pooA1 TYR 159 HB3 0.07 -0.24 0.10 -0.04 2.98 2.86 2pooA1 TYR 159 HD2 0.06 0.18 0.02 -0.04 7.15 7.37 2pooA1 TYR 159 HE2 0.05 -0.01 -0.07 -0.04 6.85 6.78 2pooA1 GLY 160 H 0.19 0.10 0.10 -0.55 8.43 8.27 2pooA1 GLY 160 HA2 -0.03 0.03 0.38 -0.51 4.01 3.88 2pooA1 GLY 160 HA3 0.05 0.17 0.39 -0.51 4.01 4.10 2pooA1 PHE 161 H 0.14 0.29 0.28 -0.55 8.34 8.49 2pooA1 PHE 161 HA 0.05 0.37 0.74 -0.75 4.62 5.03 2pooA1 PHE 161 HB2 0.03 0.03 -0.04 -0.04 3.15 3.13 2pooA1 PHE 161 HB3 0.04 -0.03 0.02 -0.04 3.06 3.04 2pooA1 PHE 161 HD2 0.03 -0.01 -0.20 -0.04 7.28 7.07 2pooA1 PHE 161 HE2 0.01 -0.05 -0.23 -0.04 7.38 7.07 2pooA1 PHE 161 HZ 0.01 -0.04 -0.19 -0.04 7.32 7.05 2pooA1 SER 162 H -1.12 0.50 0.30 -0.55 8.46 7.60 2pooA1 SER 162 HA -0.05 0.07 0.56 -0.75 4.49 4.31 2pooA1 SER 162 HB2 0.02 0.20 -0.20 -0.04 3.95 3.92 2pooA1 SER 162 HB3 -0.05 -0.07 -0.18 -0.04 3.93 3.58 2pooA1 LEU 163 H 0.04 0.13 0.19 -0.55 8.37 8.19 2pooA1 LEU 163 HA 0.02 0.25 0.85 -0.75 4.35 4.72 2pooA1 LEU 163 HB2 0.17 -0.08 -0.01 -0.04 1.64 1.68 2pooA1 LEU 163 HB3 0.18 0.02 -0.08 -0.04 1.64 1.73 2pooA1 LEU 163 HG 0.21 0.01 -0.02 -0.04 1.64 1.80 2pooA1 LEU 163 HD13 0.24 0.04 -0.03 -0.04 0.93 1.15 2pooA1 LEU 163 HD23 0.15 -0.01 -0.31 -0.04 0.89 0.68 2pooA1 TYR 164 H 0.29 0.48 0.28 -0.55 8.29 8.79 2pooA1 TYR 164 HA 0.16 0.07 0.46 -0.75 4.56 4.49 2pooA1 TYR 164 HB2 0.11 0.13 -0.20 -0.04 3.06 3.06 2pooA1 TYR 164 HB3 0.20 -0.04 -0.16 -0.04 2.98 2.93 2pooA1 TYR 164 HD2 0.04 0.02 -0.22 -0.04 7.15 6.95 2pooA1 TYR 164 HE2 -0.04 0.05 -0.27 -0.04 6.85 6.55 2pooA1 HIS 165 H -0.15 0.18 0.00 -0.55 8.41 7.90 2pooA1 HIS 165 HA -0.42 0.29 0.92 -0.75 4.63 4.66 2pooA1 HIS 165 HB2 -0.22 -0.02 -0.05 -0.04 3.26 2.94 2pooA1 HIS 165 HB3 -0.18 -0.07 0.15 -0.04 3.20 3.05 2pooA1 HIS 165 HD2 -1.23 0.07 -0.48 -0.04 6.97 5.29 2pooA1 HIS 165 HE1 -0.15 -0.00 -0.08 -0.04 7.75 7.47 2pooA1 SER 166 H -0.51 0.42 0.06 -0.55 8.46 7.88 2pooA1 SER 166 HA -0.43 0.06 0.43 -0.75 4.49 3.79 2pooA1 SER 166 HB2 -0.02 0.09 0.06 -0.04 3.95 4.04 2pooA1 SER 166 HB3 -0.05 0.01 0.19 -0.04 3.93 4.05 2pooA1 GLN 167 H -0.18 0.43 0.33 -0.55 8.47 8.50 2pooA1 GLN 167 HA -0.34 0.16 0.47 -0.75 4.36 3.89 2pooA1 GLN 167 HB2 -0.10 0.09 0.19 -0.04 2.15 2.29 2pooA1 GLN 167 HB3 -0.12 -0.11 -0.24 -0.04 2.02 1.51 2pooA1 GLN 167 HG2 -0.23 0.08 -0.07 -0.04 2.40 2.13 2pooA1 GLN 167 HG3 -0.11 0.02 -0.22 -0.04 2.39 2.04 2pooA1 GLN 167 HE21 -0.05 0.04 -0.11 -0.04 6.97 6.81 2pooA1 GLN 167 HE22 -0.11 -0.01 -0.10 -0.04 7.69 7.43 2pooA1 LYS 168 H -0.09 -0.09 -0.36 -0.55 8.42 7.32 2pooA1 LYS 168 HA -0.04 0.16 0.63 -0.75 4.32 4.31 2pooA1 LYS 168 HB2 -0.00 -0.03 0.07 -0.04 1.87 1.87 2pooA1 LYS 168 HB3 0.01 -0.13 0.13 -0.04 1.79 1.76 2pooA1 LYS 168 HG2 -0.01 0.07 -0.03 -0.04 1.46 1.45 2pooA1 LYS 168 HG3 0.00 -0.03 0.01 -0.04 1.46 1.41 2pooA1 LYS 168 HD2 0.02 -0.01 -0.09 -0.04 1.69 1.57 2pooA1 LYS 168 HD3 0.02 0.04 -0.05 -0.04 1.68 1.65 2pooA1 LYS 168 HE2 0.03 0.03 -0.00 -0.04 2.99 3.00 2pooA1 LYS 168 HE3 0.04 -0.06 0.01 -0.04 2.99 2.94 2pooA1 THR 169 H -0.02 -0.04 0.02 -0.55 8.28 7.69 2pooA1 THR 169 HA -0.01 0.21 0.57 -0.75 4.39 4.41 2pooA1 THR 169 HB 0.04 0.07 0.09 -0.04 4.32 4.48 2pooA1 THR 169 HG23 0.05 -0.00 0.00 -0.04 1.22 1.23 2pooA1 GLY 170 H -0.15 0.27 -0.14 -0.55 8.43 7.87 2pooA1 GLY 170 HA2 -0.19 0.11 0.26 -0.51 4.01 3.67 2pooA1 GLY 170 HA3 -0.04 0.12 0.59 -0.51 4.01 4.18 2pooA1 LYS 171 H -0.03 -0.13 -0.26 -0.55 8.42 7.45 2pooA1 LYS 171 HA 0.06 0.19 0.59 -0.75 4.32 4.40 2pooA1 LYS 171 HB2 0.05 -0.13 0.01 -0.04 1.87 1.76 2pooA1 LYS 171 HB3 -0.25 0.09 0.07 -0.04 1.79 1.67 2pooA1 LYS 171 HG2 -0.00 0.09 -0.07 -0.04 1.46 1.44 2pooA1 LYS 171 HG3 0.03 -0.05 -0.09 -0.04 1.46 1.31 2pooA1 LYS 171 HD2 -0.03 -0.00 -0.00 -0.04 1.69 1.61 2pooA1 LYS 171 HD3 -0.00 0.03 -0.00 -0.04 1.68 1.67 2pooA1 LYS 171 HE2 0.07 0.01 -0.00 -0.04 2.99 3.02 2pooA1 LYS 171 HE3 0.05 0.04 -0.00 -0.04 2.99 3.04 2pooA1 TYR 172 H 0.18 0.26 0.29 -0.55 8.29 8.46 2pooA1 TYR 172 HA 0.11 0.24 1.14 -0.75 4.56 5.29 2pooA1 TYR 172 HB2 0.23 0.01 0.14 -0.04 3.06 3.41 2pooA1 TYR 172 HB3 0.14 0.01 0.09 -0.04 2.98 3.18 2pooA1 TYR 172 HD2 0.01 -0.05 0.03 -0.04 7.15 7.09 2pooA1 TYR 172 HE2 -0.23 0.03 -0.03 -0.04 6.85 6.59 2pooA1 TYR 173 H 0.36 0.69 0.42 -0.55 8.29 9.21 2pooA1 TYR 173 HA 0.18 0.20 1.03 -0.75 4.56 5.22 2pooA1 TYR 173 HB2 0.33 -0.06 -0.09 -0.04 3.06 3.20 2pooA1 TYR 173 HB3 0.16 0.05 -0.01 -0.04 2.98 3.14 2pooA1 TYR 173 HD2 0.11 0.00 -0.30 -0.04 7.15 6.93 2pooA1 TYR 173 HE2 0.07 -0.05 -0.11 -0.04 6.85 6.71 2pooA1 ALA 174 H 0.25 0.52 0.31 -0.55 8.40 8.93 2pooA1 ALA 174 HA -0.04 0.21 0.93 -0.75 4.34 4.69 2pooA1 ALA 174 HB3 0.21 -0.01 -0.05 -0.04 1.41 1.52 2pooA1 MET 175 H -0.42 0.84 0.32 -0.55 8.47 8.67 2pooA1 MET 175 HA -0.18 0.27 1.16 -0.75 4.52 5.01 2pooA1 MET 175 HB2 -0.00 -0.03 -0.14 -0.04 2.15 1.93 2pooA1 MET 175 HB3 0.01 0.03 -0.03 -0.04 2.03 2.00 2pooA1 MET 175 HG2 -0.09 0.23 -0.21 -0.04 2.63 2.52 2pooA1 MET 175 HG3 0.03 -0.03 -0.26 -0.04 2.56 2.26 2pooA1 MET 175 HE3 -0.08 0.02 -0.24 -0.04 2.10 1.77 2pooA1 VAL 176 H -0.24 0.57 0.32 -0.55 8.24 8.34 2pooA1 VAL 176 HA 0.10 0.38 1.00 -0.75 4.13 4.86 2pooA1 VAL 176 HB 0.05 -0.04 -0.13 -0.04 2.12 1.96 2pooA1 VAL 176 HG13 0.23 0.03 -0.01 -0.04 0.97 1.18 2pooA1 VAL 176 HG23 0.11 -0.01 -0.17 -0.04 0.95 0.83 2pooA1 THR 177 H 0.11 0.37 0.23 -0.55 8.28 8.44 2pooA1 THR 177 HA 0.06 0.33 0.84 -0.75 4.39 4.87 2pooA1 THR 177 HB 0.14 -0.01 -0.34 -0.04 4.32 4.06 2pooA1 THR 177 HG23 0.18 -0.08 -0.12 -0.04 1.22 1.16 2pooA1 GLY 178 H 0.10 0.33 0.26 -0.55 8.43 8.58 2pooA1 GLY 178 HA2 0.10 0.39 1.06 -0.51 4.01 5.05 2pooA1 GLY 178 HA3 0.05 -0.09 0.36 -0.51 4.01 3.83 2pooA1 LYS 179 H -0.03 0.30 0.21 -0.55 8.42 8.34 2pooA1 LYS 179 HA -0.06 0.15 0.50 -0.75 4.32 4.15 2pooA1 LYS 179 HB2 -0.08 0.00 0.05 -0.04 1.87 1.81 2pooA1 LYS 179 HB3 -0.14 0.03 0.18 -0.04 1.79 1.82 2pooA1 LYS 179 HG2 -0.16 0.09 0.12 -0.04 1.46 1.47 2pooA1 LYS 179 HG3 -0.17 0.04 0.04 -0.04 1.46 1.33 2pooA1 LYS 179 HD2 -1.02 -0.04 -0.06 -0.04 1.69 0.53 2pooA1 LYS 179 HD3 -0.67 0.10 -0.07 -0.04 1.68 1.00 2pooA1 LYS 179 HE2 -0.32 -0.04 0.05 -0.04 2.99 2.63 2pooA1 LYS 179 HE3 -0.64 0.02 -0.01 -0.04 2.99 2.33 2pooA1 GLU 180 H 0.02 -0.07 -0.36 -0.55 8.60 7.65 2pooA1 GLU 180 HA 0.02 0.23 0.85 -0.75 4.29 4.64 2pooA1 GLU 180 HB2 0.01 -0.10 0.00 -0.04 2.09 1.97 2pooA1 GLU 180 HB3 0.02 0.10 0.14 -0.04 1.99 2.21 2pooA1 GLU 180 HG2 0.01 0.08 0.04 -0.04 2.34 2.42 2pooA1 GLU 180 HG3 -0.01 -0.06 -0.28 -0.04 2.34 1.96 2pooA1 GLY 181 H 0.06 0.20 -0.12 -0.55 8.43 8.03 2pooA1 GLY 181 HA2 0.07 0.09 0.25 -0.51 4.01 3.91 2pooA1 GLY 181 HA3 0.04 0.40 0.59 -0.51 4.01 4.53 2pooA1 GLU 182 H 0.05 -0.15 -0.10 -0.55 8.60 7.85 2pooA1 GLU 182 HA 0.05 0.17 0.52 -0.75 4.29 4.28 2pooA1 GLU 182 HB2 0.03 -0.13 -0.01 -0.04 2.09 1.93 2pooA1 GLU 182 HB3 0.01 0.10 -0.03 -0.04 1.99 2.03 2pooA1 GLU 182 HG2 0.01 0.08 -0.04 -0.04 2.34 2.35 2pooA1 GLU 182 HG3 0.03 0.09 -0.11 -0.04 2.34 2.31 2pooA1 PHE 183 H -0.01 0.45 0.36 -0.55 8.34 8.60 2pooA1 PHE 183 HA -0.18 0.25 0.96 -0.75 4.62 4.91 2pooA1 PHE 183 HB2 -0.37 0.04 -0.19 -0.04 3.15 2.58 2pooA1 PHE 183 HB3 -0.89 0.01 0.04 -0.04 3.06 2.18 2pooA1 PHE 183 HD2 -0.88 -0.07 -0.21 -0.04 7.28 6.08 2pooA1 PHE 183 HE2 -0.33 -0.03 -0.27 -0.04 7.38 6.71 2pooA1 PHE 183 HZ -0.24 0.00 -0.24 -0.04 7.32 6.80 2pooA1 GLU 184 H -0.94 0.64 0.28 -0.55 8.60 8.04 2pooA1 GLU 184 HA -0.55 0.25 0.83 -0.75 4.29 4.07 2pooA1 GLU 184 HB2 -0.14 -0.07 -0.09 -0.04 2.09 1.75 2pooA1 GLU 184 HB3 -0.19 0.00 -0.08 -0.04 1.99 1.69 2pooA1 GLU 184 HG2 -0.23 0.09 0.12 -0.04 2.34 2.28 2pooA1 GLU 184 HG3 -0.16 0.09 -0.15 -0.04 2.34 2.07 2pooA1 GLN 185 H -0.47 0.63 0.29 -0.55 8.47 8.37 2pooA1 GLN 185 HA -0.21 0.32 1.10 -0.75 4.36 4.82 2pooA1 GLN 185 HB2 -0.22 0.03 -0.18 -0.04 2.15 1.74 2pooA1 GLN 185 HB3 -0.14 -0.09 0.05 -0.04 2.02 1.80 2pooA1 GLN 185 HG2 0.11 -0.08 -0.35 -0.04 2.40 2.04 2pooA1 GLN 185 HG3 0.07 0.06 -0.11 -0.04 2.39 2.36 2pooA1 GLN 185 HE21 -0.42 0.34 -0.13 -0.04 6.97 6.71 2pooA1 GLN 185 HE22 -0.60 -0.08 -0.17 -0.04 7.69 6.80 2pooA1 TYR 186 H 0.21 0.72 0.32 -0.55 8.29 8.98 2pooA1 TYR 186 HA 0.04 0.14 0.77 -0.75 4.56 4.75 2pooA1 TYR 186 HB2 0.04 0.03 0.01 -0.04 3.06 3.10 2pooA1 TYR 186 HB3 0.02 -0.05 -0.18 -0.04 2.98 2.74 2pooA1 TYR 186 HD2 -0.03 0.01 -0.35 -0.04 7.15 6.74 2pooA1 TYR 186 HE2 -0.05 0.02 -0.15 -0.04 6.85 6.63 2pooA1 GLU 187 H 0.14 0.43 0.30 -0.55 8.60 8.92 2pooA1 GLU 187 HA -0.09 0.20 0.90 -0.75 4.29 4.55 2pooA1 GLU 187 HB2 0.14 -0.01 0.14 -0.04 2.09 2.31 2pooA1 GLU 187 HB3 0.05 -0.04 0.22 -0.04 1.99 2.18 2pooA1 GLU 187 HG2 -0.10 0.11 -0.14 -0.04 2.34 2.16 2pooA1 GLU 187 HG3 -0.47 0.02 0.07 -0.04 2.34 1.91 2pooA1 LEU 188 H -0.02 0.54 0.28 -0.55 8.37 8.62 2pooA1 LEU 188 HA 0.05 0.28 0.85 -0.75 4.35 4.78 2pooA1 LEU 188 HB2 0.15 -0.02 -0.00 -0.04 1.64 1.72 2pooA1 LEU 188 HB3 -0.06 -0.01 -0.08 -0.04 1.64 1.45 2pooA1 LEU 188 HG 0.11 0.00 -0.21 -0.04 1.64 1.49 2pooA1 LEU 188 HD13 0.04 -0.00 -0.26 -0.04 0.93 0.66 2pooA1 LEU 188 HD23 0.03 -0.01 -0.30 -0.04 0.89 0.57 2pooA1 ASN 189 H 0.08 0.63 0.38 -0.55 8.53 9.08 2pooA1 ASN 189 HA 0.16 0.16 0.77 -0.75 4.76 5.10 2pooA1 ASN 189 HB2 0.05 -0.02 -0.14 -0.04 2.88 2.73 2pooA1 ASN 189 HB3 0.04 0.02 0.09 -0.04 2.79 2.90 2pooA1 ASN 189 HD21 0.02 -0.03 -0.18 -0.04 7.03 6.80 2pooA1 ASN 189 HD22 0.01 0.04 -0.14 -0.04 7.74 7.61 2pooA1 ALA 190 H 0.10 0.20 0.17 -0.55 8.40 8.32 2pooA1 ALA 190 HA 0.15 0.18 0.85 -0.75 4.34 4.77 2pooA1 ALA 190 HB3 0.14 0.02 0.18 -0.04 1.41 1.71 2pooA1 ASP 191 H 0.07 0.48 0.31 -0.55 8.40 8.71 2pooA1 ASP 191 HA 0.04 0.21 0.64 -0.75 4.63 4.77 2pooA1 ASP 191 HB2 0.04 -0.10 0.18 -0.04 2.71 2.79 2pooA1 ASP 191 HB3 0.05 0.09 0.05 -0.04 2.70 2.84 2pooA1 LYS 192 H 0.03 0.16 0.15 -0.55 8.42 8.21 2pooA1 LYS 192 HA 0.00 0.18 0.53 -0.75 4.32 4.28 2pooA1 LYS 192 HB2 0.01 -0.01 0.09 -0.04 1.87 1.92 2pooA1 LYS 192 HB3 0.00 0.04 0.15 -0.04 1.79 1.95 2pooA1 LYS 192 HG2 0.00 0.04 0.05 -0.04 1.46 1.51 2pooA1 LYS 192 HG3 0.01 -0.03 0.03 -0.04 1.46 1.43 2pooA1 LYS 192 HD2 0.01 0.02 0.02 -0.04 1.69 1.70 2pooA1 LYS 192 HD3 0.01 -0.02 0.04 -0.04 1.68 1.67 2pooA1 LYS 192 HE2 0.00 0.00 0.03 -0.04 2.99 2.98 2pooA1 LYS 192 HE3 0.00 0.01 0.02 -0.04 2.99 2.98 2pooA1 ASN 193 H 0.04 -0.05 -0.44 -0.55 8.53 7.53 2pooA1 ASN 193 HA -0.02 0.27 0.83 -0.75 4.76 5.09 2pooA1 ASN 193 HB2 0.20 -0.07 -0.05 -0.04 2.88 2.92 2pooA1 ASN 193 HB3 0.12 0.05 0.08 -0.04 2.79 3.00 2pooA1 ASN 193 HD21 0.04 0.04 -0.05 -0.04 7.03 7.03 2pooA1 ASN 193 HD22 0.09 -0.02 -0.04 -0.04 7.74 7.73 2pooA1 GLY 194 H -0.05 0.25 -0.21 -0.55 8.43 7.88 2pooA1 GLY 194 HA2 -0.11 0.06 0.21 -0.51 4.01 3.65 2pooA1 GLY 194 HA3 -0.27 0.16 0.57 -0.51 4.01 3.96 2pooA1 TYR 195 H 0.04 -0.08 -0.01 -0.55 8.29 7.69 2pooA1 TYR 195 HA -0.06 0.37 0.90 -0.75 4.56 5.02 2pooA1 TYR 195 HB2 -0.04 -0.15 -0.12 -0.04 3.06 2.71 2pooA1 TYR 195 HB3 -0.07 0.01 0.03 -0.04 2.98 2.91 2pooA1 TYR 195 HD2 -0.05 -0.00 -0.31 -0.04 7.15 6.74 2pooA1 TYR 195 HE2 -0.04 0.01 -0.10 -0.04 6.85 6.68 2pooA1 ILE 196 H 0.05 0.56 0.34 -0.55 8.25 8.65 2pooA1 ILE 196 HA 0.02 0.21 1.00 -0.75 4.18 4.65 2pooA1 ILE 196 HB -0.19 -0.03 0.03 -0.04 1.89 1.66 2pooA1 ILE 196 HG12 -0.23 0.03 -0.18 -0.04 1.49 1.07 2pooA1 ILE 196 HG13 -0.18 0.03 -0.17 -0.04 1.21 0.85 2pooA1 ILE 196 HG23 -0.24 -0.01 -0.24 -0.04 0.93 0.41 2pooA1 ILE 196 HD13 -0.87 -0.01 -0.18 -0.04 0.88 -0.22 2pooA1 SER 197 H 0.02 0.72 0.40 -0.55 8.46 9.06 2pooA1 SER 197 HA -0.05 0.16 0.96 -0.75 4.49 4.81 2pooA1 SER 197 HB2 -0.00 0.07 0.09 -0.04 3.95 4.07 2pooA1 SER 197 HB3 0.01 -0.07 -0.06 -0.04 3.93 3.77 2pooA1 GLY 198 H -0.01 0.21 0.19 -0.55 8.43 8.27 2pooA1 GLY 198 HA2 0.09 0.49 1.05 -0.51 4.01 5.13 2pooA1 GLY 198 HA3 0.07 -0.04 0.20 -0.51 4.01 3.73 2pooA1 LYS 199 H 0.16 0.33 0.27 -0.55 8.42 8.62 2pooA1 LYS 199 HA 0.13 0.17 0.94 -0.75 4.32 4.80 2pooA1 LYS 199 HB2 0.04 0.04 -0.04 -0.04 1.87 1.87 2pooA1 LYS 199 HB3 0.05 0.06 -0.02 -0.04 1.79 1.84 2pooA1 LYS 199 HG2 0.07 0.11 0.03 -0.04 1.46 1.62 2pooA1 LYS 199 HG3 0.06 -0.09 0.18 -0.04 1.46 1.57 2pooA1 LYS 199 HD2 0.04 0.00 -0.07 -0.04 1.69 1.62 2pooA1 LYS 199 HD3 0.04 0.01 -0.05 -0.04 1.68 1.63 2pooA1 LYS 199 HE2 0.03 0.02 -0.05 -0.04 2.99 2.96 2pooA1 LYS 199 HE3 0.03 0.00 -0.03 -0.04 2.99 2.95 2pooA1 LYS 200 H -0.03 0.19 0.11 -0.55 8.42 8.13 2pooA1 LYS 200 HA -0.63 0.11 0.45 -0.75 4.32 3.50 2pooA1 LYS 200 HB2 -0.27 -0.00 0.15 -0.04 1.87 1.71 2pooA1 LYS 200 HB3 -0.18 0.02 0.19 -0.04 1.79 1.77 2pooA1 LYS 200 HG2 -0.64 0.09 0.02 -0.04 1.46 0.89 2pooA1 LYS 200 HG3 -0.67 -0.05 -0.01 -0.04 1.46 0.69 2pooA1 LYS 200 HD2 -0.18 0.00 -0.17 -0.04 1.69 1.30 2pooA1 LYS 200 HD3 -0.24 0.03 -0.03 -0.04 1.68 1.40 2pooA1 LYS 200 HE2 -0.10 0.01 0.01 -0.04 2.99 2.87 2pooA1 LYS 200 HE3 -0.08 0.01 -0.04 -0.04 2.99 2.83 2pooA1 VAL 201 H -0.12 0.35 0.56 -0.55 8.24 8.48 2pooA1 VAL 201 HA -0.02 0.14 0.74 -0.75 4.13 4.24 2pooA1 VAL 201 HB 0.07 -0.05 0.10 -0.04 2.12 2.20 2pooA1 VAL 201 HG13 0.08 0.07 0.05 -0.04 0.97 1.13 2pooA1 VAL 201 HG23 0.16 -0.01 -0.07 -0.04 0.95 0.99 2pooA1 ARG 202 H -0.17 0.31 0.18 -0.55 8.46 8.24 2pooA1 ARG 202 HA -0.02 0.17 0.61 -0.75 4.34 4.35 2pooA1 ARG 202 HB2 0.00 -0.01 -0.20 -0.04 1.90 1.65 2pooA1 ARG 202 HB3 0.01 -0.07 -0.11 -0.04 1.80 1.59 2pooA1 ARG 202 HG2 0.10 -0.15 0.11 -0.04 1.67 1.69 2pooA1 ARG 202 HG3 0.07 0.23 0.13 -0.04 1.67 2.06 2pooA1 ARG 202 HD2 0.25 -0.06 -0.25 -0.04 3.22 3.11 2pooA1 ARG 202 HD3 0.28 -0.03 -0.19 -0.04 3.22 3.24 2pooA1 ALA 203 H 0.03 0.28 0.10 -0.55 8.40 8.27 2pooA1 ALA 203 HA -0.20 0.12 0.44 -0.75 4.34 3.95 2pooA1 ALA 203 HB3 -0.10 0.02 0.01 -0.04 1.41 1.30 2pooA1 PHE 204 H -0.13 0.45 0.24 -0.55 8.34 8.36 2pooA1 PHE 204 HA -0.01 0.08 0.44 -0.75 4.62 4.38 2pooA1 PHE 204 HB2 -0.06 0.02 0.16 -0.04 3.15 3.22 2pooA1 PHE 204 HB3 -0.03 0.11 0.01 -0.04 3.06 3.11 2pooA1 PHE 204 HD2 -0.13 0.02 -0.46 -0.04 7.28 6.67 2pooA1 PHE 204 HE2 -0.68 0.05 -0.22 -0.04 7.38 6.48 2pooA1 PHE 204 HZ -2.04 -0.00 -0.20 -0.04 7.32 5.03 2pooA1 LYS 205 H 0.17 0.18 0.17 -0.55 8.42 8.39 2pooA1 LYS 205 HA 0.11 0.16 0.90 -0.75 4.32 4.73 2pooA1 LYS 205 HB2 0.05 -0.05 -0.06 -0.04 1.87 1.77 2pooA1 LYS 205 HB3 0.04 -0.02 0.06 -0.04 1.79 1.83 2pooA1 LYS 205 HG2 0.02 -0.04 -0.10 -0.04 1.46 1.30 2pooA1 LYS 205 HG3 0.02 0.16 -0.28 -0.04 1.46 1.33 2pooA1 LYS 205 HD2 0.04 -0.07 -0.33 -0.04 1.69 1.29 2pooA1 LYS 205 HD3 0.03 -0.12 -0.11 -0.04 1.68 1.44 2pooA1 LYS 205 HE2 0.02 -0.16 -0.11 -0.04 2.99 2.70 2pooA1 LYS 205 HE3 0.02 -0.08 -0.06 -0.04 2.99 2.83 2pooA1 MET 206 H 0.05 0.40 0.10 -0.55 8.47 8.48 2pooA1 MET 206 HA -0.10 0.14 0.86 -0.75 4.52 4.66 2pooA1 MET 206 HB2 0.00 0.15 0.13 -0.04 2.15 2.39 2pooA1 MET 206 HB3 -0.11 -0.11 0.06 -0.04 2.03 1.82 2pooA1 MET 206 HG2 -0.32 -0.02 -0.01 -0.04 2.63 2.24 2pooA1 MET 206 HG3 0.02 0.03 -0.36 -0.04 2.56 2.21 2pooA1 MET 206 HE3 -0.39 -0.01 -0.13 -0.04 2.10 1.52 2pooA1 ASN 207 H -0.09 0.11 0.11 -0.55 8.53 8.12 2pooA1 ASN 207 HA 0.00 0.07 0.34 -0.75 4.76 4.43 2pooA1 ASN 207 HB2 0.00 0.00 0.13 -0.04 2.88 2.97 2pooA1 ASN 207 HB3 0.05 -0.05 0.06 -0.04 2.79 2.82 2pooA1 ASN 207 HD21 0.02 -0.00 0.02 -0.04 7.03 7.03 2pooA1 ASN 207 HD22 0.01 0.00 0.05 -0.04 7.74 7.76 2pooA1 SER 208 H 0.04 0.07 -0.21 -0.55 8.46 7.81 2pooA1 SER 208 HA 0.04 0.26 0.59 -0.75 4.49 4.63 2pooA1 SER 208 HB2 0.06 -0.08 0.08 -0.04 3.95 3.97 2pooA1 SER 208 HB3 0.05 0.13 -0.10 -0.04 3.93 3.97 2pooA1 GLN 209 H 0.06 0.16 0.06 -0.55 8.47 8.20 2pooA1 GLN 209 HA 0.09 -0.10 0.22 -0.75 4.36 3.82 2pooA1 GLN 209 HB2 0.05 0.15 0.19 -0.04 2.15 2.50 2pooA1 GLN 209 HB3 0.10 -0.10 0.14 -0.04 2.02 2.11 2pooA1 GLN 209 HG2 0.23 -0.01 -0.15 -0.04 2.40 2.42 2pooA1 GLN 209 HG3 0.10 -0.03 0.13 -0.04 2.39 2.55 2pooA1 GLN 209 HE21 -0.05 0.01 0.01 -0.04 6.97 6.90 2pooA1 GLN 209 HE22 0.27 -0.00 -0.04 -0.04 7.69 7.88 2pooA1 THR 210 H 0.16 0.21 0.33 -0.55 8.28 8.43 2pooA1 THR 210 HA 0.15 0.19 1.10 -0.75 4.39 5.08 2pooA1 THR 210 HB 0.13 0.02 -0.02 -0.04 4.32 4.41 2pooA1 THR 210 HG23 0.10 0.05 -0.14 -0.04 1.22 1.19 2pooA1 GLU 211 H 0.11 0.36 0.26 -0.55 8.60 8.78 2pooA1 GLU 211 HA 0.02 -0.03 0.55 -0.75 4.29 4.07 2pooA1 GLU 211 HB2 -0.15 0.08 -0.16 -0.04 2.09 1.82 2pooA1 GLU 211 HB3 -0.08 -0.01 0.05 -0.04 1.99 1.91 2pooA1 GLU 211 HG2 -0.23 -0.04 -0.17 -0.04 2.34 1.85 2pooA1 GLU 211 HG3 -1.01 -0.05 -0.06 -0.04 2.34 1.18 2pooA1 GLY 212 H 0.06 0.19 0.19 -0.55 8.43 8.32 2pooA1 GLY 212 HA2 0.06 -0.00 0.43 -0.51 4.01 3.99 2pooA1 GLY 212 HA3 0.09 0.34 0.23 -0.51 4.01 4.15 2pooA1 MET 213 H 0.10 0.26 0.32 -0.55 8.47 8.60 2pooA1 MET 213 HA 0.14 0.33 0.83 -0.75 4.52 5.07 2pooA1 MET 213 HB2 0.10 0.04 -0.42 -0.04 2.15 1.84 2pooA1 MET 213 HB3 0.08 0.03 -0.11 -0.04 2.03 1.99 2pooA1 MET 213 HG2 0.07 -0.05 -0.29 -0.04 2.63 2.32 2pooA1 MET 213 HG3 0.11 0.07 -0.09 -0.04 2.56 2.60 2pooA1 MET 213 HE3 0.06 -0.01 -0.52 -0.04 2.10 1.59 2pooA1 ALA 214 H 0.18 0.59 0.33 -0.55 8.40 8.95 2pooA1 ALA 214 HA 0.15 0.16 0.81 -0.75 4.34 4.69 2pooA1 ALA 214 HB3 0.15 0.02 -0.19 -0.04 1.41 1.36 2pooA1 ALA 215 H 0.20 0.23 0.21 -0.55 8.40 8.49 2pooA1 ALA 215 HA 0.13 0.24 1.13 -0.75 4.34 5.09 2pooA1 ALA 215 HB3 0.08 0.04 -0.02 -0.04 1.41 1.47 2pooA1 ASP 216 H 0.18 0.72 0.24 -0.55 8.40 8.99 2pooA1 ASP 216 HA 0.37 0.10 0.66 -0.75 4.63 5.01 2pooA1 ASP 216 HB2 0.30 0.16 0.07 -0.04 2.71 3.20 2pooA1 ASP 216 HB3 0.25 -0.31 0.24 -0.04 2.70 2.84 2pooA1 ASP 217 H 0.41 0.27 0.24 -0.55 8.40 8.76 2pooA1 ASP 217 HA 0.33 0.04 0.34 -0.75 4.63 4.60 2pooA1 ASP 217 HB2 0.03 -0.01 0.15 -0.04 2.71 2.83 2pooA1 ASP 217 HB3 -0.06 0.20 0.14 -0.04 2.70 2.94 2pooA1 GLU 218 H 0.28 0.01 -0.16 -0.55 8.60 8.19 2pooA1 GLU 218 HA -0.02 0.29 0.87 -0.75 4.29 4.68 2pooA1 GLU 218 HB2 0.14 -0.06 0.05 -0.04 2.09 2.18 2pooA1 GLU 218 HB3 -0.14 0.04 -0.07 -0.04 1.99 1.78 2pooA1 GLU 218 HG2 -0.06 0.27 0.10 -0.04 2.34 2.61 2pooA1 GLU 218 HG3 0.01 -0.09 0.03 -0.04 2.34 2.25 2pooA1 TYR 219 H 0.33 0.02 -0.08 -0.55 8.29 8.00 2pooA1 TYR 219 HA 0.05 0.22 0.52 -0.75 4.56 4.60 2pooA1 TYR 219 HB2 0.09 -0.10 0.01 -0.04 3.06 3.02 2pooA1 TYR 219 HB3 0.05 0.09 -0.05 -0.04 2.98 3.03 2pooA1 TYR 219 HD2 0.07 -0.01 -0.00 -0.04 7.15 7.17 2pooA1 TYR 219 HE2 0.04 0.04 0.00 -0.04 6.85 6.89 2pooA1 GLY 220 H 0.23 0.23 -0.18 -0.55 8.43 8.17 2pooA1 GLY 220 HA2 0.22 0.02 0.23 -0.51 4.01 3.97 2pooA1 GLY 220 HA3 0.11 0.08 0.47 -0.51 4.01 4.17 2pooA1 SER 221 H 0.10 0.06 0.09 -0.55 8.46 8.16 2pooA1 SER 221 HA -0.13 0.25 1.07 -0.75 4.49 4.93 2pooA1 SER 221 HB2 -0.04 -0.13 -0.00 -0.04 3.95 3.74 2pooA1 SER 221 HB3 -0.47 0.14 -0.01 -0.04 3.93 3.54 2pooA1 LEU 222 H -0.24 0.83 0.20 -0.55 8.37 8.60 2pooA1 LEU 222 HA -0.06 0.16 0.93 -0.75 4.35 4.64 2pooA1 LEU 222 HB2 -0.16 -0.05 -0.31 -0.04 1.64 1.08 2pooA1 LEU 222 HB3 -0.05 0.03 -0.37 -0.04 1.64 1.22 2pooA1 LEU 222 HG 0.03 -0.04 -0.51 -0.04 1.64 1.08 2pooA1 LEU 222 HD13 0.03 0.04 -0.20 -0.04 0.93 0.75 2pooA1 LEU 222 HD23 -0.20 0.00 -0.25 -0.04 0.89 0.41 2pooA1 TYR 223 H 0.20 0.71 0.30 -0.55 8.29 8.95 2pooA1 TYR 223 HA 0.12 0.36 1.05 -0.75 4.56 5.33 2pooA1 TYR 223 HB2 0.06 -0.10 0.07 -0.04 3.06 3.05 2pooA1 TYR 223 HB3 0.05 0.04 -0.02 -0.04 2.98 3.01 2pooA1 TYR 223 HD2 0.00 0.06 -0.15 -0.04 7.15 7.01 2pooA1 TYR 223 HE2 -0.03 -0.02 -0.15 -0.04 6.85 6.60 2pooA1 ILE 224 H 0.33 0.32 0.10 -0.55 8.25 8.45 2pooA1 ILE 224 HA 0.19 0.30 1.03 -0.75 4.18 4.94 2pooA1 ILE 224 HB 0.37 -0.06 -0.07 -0.04 1.89 2.09 2pooA1 ILE 224 HG12 0.07 0.07 -0.23 -0.04 1.49 1.37 2pooA1 ILE 224 HG13 0.12 -0.07 -0.47 -0.04 1.21 0.75 2pooA1 ILE 224 HG23 0.13 0.00 -0.29 -0.04 0.93 0.73 2pooA1 ILE 224 HD13 -0.42 0.01 -0.23 -0.04 0.88 0.20 2pooA1 ALA 225 H 0.17 0.78 0.21 -0.55 8.40 9.01 2pooA1 ALA 225 HA 0.21 0.15 0.90 -0.75 4.34 4.85 2pooA1 ALA 225 HB3 0.12 -0.03 0.05 -0.04 1.41 1.51 2pooA1 GLU 226 H 0.33 0.65 0.33 -0.55 8.60 9.36 2pooA1 GLU 226 HA 0.18 0.18 0.77 -0.75 4.29 4.67 2pooA1 GLU 226 HB2 0.46 0.05 0.08 -0.04 2.09 2.65 2pooA1 GLU 226 HB3 0.38 -0.31 0.32 -0.04 1.99 2.35 2pooA1 GLU 226 HG2 0.17 -0.07 -0.10 -0.04 2.34 2.30 2pooA1 GLU 226 HG3 0.14 0.19 -0.12 -0.04 2.34 2.50 2pooA1 GLU 227 H 0.14 0.36 0.20 -0.55 8.60 8.75 2pooA1 GLU 227 HA 0.09 0.01 0.42 -0.75 4.29 4.06 2pooA1 GLU 227 HB2 0.10 0.02 0.13 -0.04 2.09 2.30 2pooA1 GLU 227 HB3 0.09 -0.09 0.01 -0.04 1.99 1.96 2pooA1 GLU 227 HG2 0.10 0.27 0.10 -0.04 2.34 2.77 2pooA1 GLU 227 HG3 0.13 0.06 0.09 -0.04 2.34 2.59 2pooA1 ASP 228 H 0.09 0.13 -0.05 -0.55 8.40 8.02 2pooA1 ASP 228 HA 0.05 0.14 0.87 -0.75 4.63 4.93 2pooA1 ASP 228 HB2 0.06 -0.03 0.07 -0.04 2.71 2.77 2pooA1 ASP 228 HB3 0.04 0.06 0.15 -0.04 2.70 2.91 2pooA1 GLU 229 H 0.11 0.40 -0.16 -0.55 8.60 8.41 2pooA1 GLU 229 HA 0.06 0.25 1.11 -0.75 4.29 4.95 2pooA1 GLU 229 HB2 0.24 -0.03 0.17 -0.04 2.09 2.42 2pooA1 GLU 229 HB3 0.20 -0.00 -0.01 -0.04 1.99 2.14 2pooA1 GLU 229 HG2 0.10 -0.06 -0.31 -0.04 2.34 2.03 2pooA1 GLU 229 HG3 0.15 -0.04 -0.08 -0.04 2.34 2.33 2pooA1 ALA 230 H 0.18 0.25 0.29 -0.55 8.40 8.57 2pooA1 ALA 230 HA -0.06 0.10 0.56 -0.75 4.34 4.19 2pooA1 ALA 230 HB3 -0.37 0.02 -0.02 -0.04 1.41 0.99 2pooA1 ILE 231 H -0.22 0.49 0.32 -0.55 8.25 8.29 2pooA1 ILE 231 HA 0.09 0.16 0.89 -0.75 4.18 4.57 2pooA1 ILE 231 HB -0.18 -0.09 0.15 -0.04 1.89 1.73 2pooA1 ILE 231 HG12 0.04 0.02 -0.13 -0.04 1.49 1.38 2pooA1 ILE 231 HG13 -0.02 -0.04 -0.20 -0.04 1.21 0.90 2pooA1 ILE 231 HG23 0.00 0.03 -0.18 -0.04 0.93 0.74 2pooA1 ILE 231 HD13 -0.09 0.01 -0.18 -0.04 0.88 0.58 2pooA1 TRP 232 H 0.35 0.63 0.29 -0.55 7.97 8.69 2pooA1 TRP 232 HA -0.12 0.25 0.93 -0.75 4.62 4.92 2pooA1 TRP 232 HB2 0.11 -0.03 0.01 -0.04 3.23 3.28 2pooA1 TRP 232 HB3 -0.46 0.01 -0.09 -0.04 3.23 2.65 2pooA1 TRP 232 HD1 0.07 0.10 -0.11 -0.04 7.22 7.24 2pooA1 TRP 232 HE1 0.03 -0.08 -0.08 -0.04 10.20 10.03 2pooA1 TRP 232 HE3 -0.38 -0.01 -0.48 -0.04 7.59 6.68 2pooA1 TRP 232 HZ2 -0.00 -0.04 -0.06 -0.04 7.44 7.29 2pooA1 TRP 232 HZ3 -0.14 0.20 0.00 -0.04 7.13 7.16 2pooA1 TRP 232 HH2 -0.04 -0.00 -0.02 -0.04 7.19 7.08 2pooA1 LYS 233 H -0.13 0.36 0.18 -0.55 8.42 8.28 2pooA1 LYS 233 HA -0.18 0.28 1.05 -0.75 4.32 4.71 2pooA1 LYS 233 HB2 -0.05 0.01 -0.16 -0.04 1.87 1.64 2pooA1 LYS 233 HB3 -0.14 -0.08 0.14 -0.04 1.79 1.66 2pooA1 LYS 233 HG2 -0.26 0.03 -0.13 -0.04 1.46 1.06 2pooA1 LYS 233 HG3 -0.72 -0.00 0.01 -0.04 1.46 0.71 2pooA1 LYS 233 HD2 0.04 0.03 -0.11 -0.04 1.69 1.61 2pooA1 LYS 233 HD3 -0.09 -0.04 -0.08 -0.04 1.68 1.43 2pooA1 LYS 233 HE2 -0.15 -0.04 -0.08 -0.04 2.99 2.68 2pooA1 LYS 233 HE3 -0.17 -0.06 -0.09 -0.04 2.99 2.63 2pooA1 PHE 234 H 0.01 0.62 0.26 -0.55 8.34 8.67 2pooA1 PHE 234 HA -0.09 0.28 0.89 -0.75 4.62 4.95 2pooA1 PHE 234 HB2 -0.13 -0.05 -0.14 -0.04 3.15 2.79 2pooA1 PHE 234 HB3 -0.10 0.11 0.04 -0.04 3.06 3.07 2pooA1 PHE 234 HD2 -0.15 0.06 -0.36 -0.04 7.28 6.80 2pooA1 PHE 234 HE2 -0.36 0.07 -0.25 -0.04 7.38 6.79 2pooA1 PHE 234 HZ -0.62 -0.02 -0.14 -0.04 7.32 6.49 2pooA1 SER 235 H 0.10 0.24 0.13 -0.55 8.46 8.39 2pooA1 SER 235 HA -0.06 0.18 0.79 -0.75 4.49 4.65 2pooA1 SER 235 HB2 -0.00 0.07 0.14 -0.04 3.95 4.11 2pooA1 SER 235 HB3 0.00 -0.01 0.11 -0.04 3.93 3.99 2pooA1 ALA 236 H -0.16 0.65 0.06 -0.55 8.40 8.41 2pooA1 ALA 236 HA -0.27 0.16 0.48 -0.75 4.34 3.96 2pooA1 ALA 236 HB3 -0.92 -0.02 -0.38 -0.04 1.41 0.05 2pooA1 GLU 237 H -0.09 0.09 -0.11 -0.55 8.60 7.94 2pooA1 GLU 237 HA -0.10 0.10 0.44 -0.75 4.29 3.97 2pooA1 GLU 237 HB2 -0.01 0.04 -0.00 -0.04 2.09 2.08 2pooA1 GLU 237 HB3 0.00 -0.06 -0.05 -0.04 1.99 1.85 2pooA1 GLU 237 HG2 0.06 -0.01 0.03 -0.04 2.34 2.39 2pooA1 GLU 237 HG3 0.05 0.06 0.01 -0.04 2.34 2.42 2pooA1 PRO 238 HA -0.04 0.11 0.27 -0.51 4.44 4.27 2pooA1 PRO 238 HB2 0.05 0.12 -0.02 -0.04 2.28 2.38 2pooA1 PRO 238 HB3 0.01 0.01 0.01 -0.04 2.02 2.01 2pooA1 PRO 238 HG2 0.05 -0.01 0.06 -0.04 2.03 2.08 2pooA1 PRO 238 HG3 0.17 0.06 0.03 -0.04 2.03 2.25 2pooA1 PRO 238 HD2 -0.05 0.02 0.17 -0.04 3.68 3.78 2pooA1 PRO 238 HD3 -0.54 0.18 0.12 -0.04 3.65 3.36 2pooA1 ASP 239 H 0.01 0.06 -0.32 -0.55 8.40 7.61 2pooA1 ASP 239 HA 0.02 0.18 0.58 -0.75 4.63 4.66 2pooA1 ASP 239 HB2 0.02 0.03 0.16 -0.04 2.71 2.88 2pooA1 ASP 239 HB3 0.03 0.02 0.04 -0.04 2.70 2.74 2pooA1 GLY 240 H 0.01 0.39 -0.65 -0.55 8.43 7.64 2pooA1 GLY 240 HA2 0.01 0.07 0.50 -0.51 4.01 4.07 2pooA1 GLY 240 HA3 0.01 0.05 0.22 -0.51 4.01 3.79 2pooA1 GLY 241 H 0.05 0.13 -0.10 -0.55 8.43 7.96 2pooA1 GLY 241 HA2 0.03 0.02 0.30 -0.51 4.01 3.86 2pooA1 GLY 241 HA3 0.01 0.12 0.55 -0.51 4.01 4.18 2pooA1 SER 242 H -0.07 0.14 0.11 -0.55 8.46 8.09 2pooA1 SER 242 HA -0.73 0.19 0.59 -0.75 4.49 3.79 2pooA1 SER 242 HB2 -0.58 0.03 0.17 -0.04 3.95 3.52 2pooA1 SER 242 HB3 -0.38 0.00 0.05 -0.04 3.93 3.56 2pooA1 ASN 243 H -0.03 0.13 -0.43 -0.55 8.53 7.65 2pooA1 ASN 243 HA -0.07 0.06 0.65 -0.75 4.76 4.65 2pooA1 ASN 243 HB2 -0.04 0.02 -0.01 -0.04 2.88 2.81 2pooA1 ASN 243 HB3 -0.03 -0.04 0.06 -0.04 2.79 2.73 2pooA1 ASN 243 HD21 -0.01 0.09 0.08 -0.04 7.03 7.15 2pooA1 ASN 243 HD22 -0.02 -0.05 0.03 -0.04 7.74 7.66 2pooA1 GLY 244 H -0.13 0.20 0.21 -0.55 8.43 8.16 2pooA1 GLY 244 HA2 -0.45 0.38 1.05 -0.51 4.01 4.48 2pooA1 GLY 244 HA3 -1.11 -0.06 0.17 -0.51 4.01 2.50 2pooA1 THR 245 H -0.19 0.50 0.30 -0.55 8.28 8.35 2pooA1 THR 245 HA -0.05 0.13 0.85 -0.75 4.39 4.56 2pooA1 THR 245 HB -0.10 0.02 0.06 -0.04 4.32 4.27 2pooA1 THR 245 HG23 -0.07 0.02 -0.05 -0.04 1.22 1.07 2pooA1 VAL 246 H -0.29 0.12 0.16 -0.55 8.24 7.68 2pooA1 VAL 246 HA -0.73 0.17 0.77 -0.75 4.13 3.59 2pooA1 VAL 246 HB -0.38 -0.00 0.09 -0.04 2.12 1.79 2pooA1 VAL 246 HG13 -0.44 0.00 -0.22 -0.04 0.97 0.27 2pooA1 VAL 246 HG23 -1.33 -0.00 -0.05 -0.04 0.95 -0.47 2pooA1 ILE 247 H -0.32 0.66 0.35 -0.55 8.25 8.39 2pooA1 ILE 247 HA -0.13 0.18 0.65 -0.75 4.18 4.13 2pooA1 ILE 247 HB -0.20 -0.06 0.01 -0.04 1.89 1.60 2pooA1 ILE 247 HG12 -0.05 -0.01 -0.29 -0.04 1.49 1.10 2pooA1 ILE 247 HG13 0.09 -0.02 -0.19 -0.04 1.21 1.05 2pooA1 ILE 247 HG23 -0.35 0.02 -0.14 -0.04 0.93 0.41 2pooA1 ILE 247 HD13 -0.02 0.03 -0.21 -0.04 0.88 0.63 2pooA1 ASP 248 H -0.24 0.19 0.22 -0.55 8.40 8.02 2pooA1 ASP 248 HA -0.07 0.08 0.41 -0.75 4.63 4.30 2pooA1 ASP 248 HB2 -0.02 0.19 -0.25 -0.04 2.71 2.59 2pooA1 ASP 248 HB3 0.01 -0.07 -0.09 -0.04 2.70 2.50 2pooA1 ARG 249 H -0.09 0.14 0.17 -0.55 8.46 8.12 2pooA1 ARG 249 HA -0.11 0.20 1.00 -0.75 4.34 4.68 2pooA1 ARG 249 HB2 -0.08 -0.06 0.00 -0.04 1.90 1.73 2pooA1 ARG 249 HB3 -0.08 0.13 0.12 -0.04 1.80 1.93 2pooA1 ARG 249 HG2 -0.16 -0.05 -0.14 -0.04 1.67 1.28 2pooA1 ARG 249 HG3 -0.11 0.00 0.04 -0.04 1.67 1.56 2pooA1 ARG 249 HD2 -0.09 0.02 -0.02 -0.04 3.22 3.09 2pooA1 ARG 249 HD3 -0.07 0.03 -0.01 -0.04 3.22 3.13 2pooA1 ALA 250 H -0.03 0.77 0.20 -0.55 8.40 8.80 2pooA1 ALA 250 HA -0.00 0.04 0.49 -0.75 4.34 4.11 2pooA1 ALA 250 HB3 0.01 0.03 -0.11 -0.04 1.41 1.31 2pooA1 ASP 251 H -0.06 0.31 -0.28 -0.55 8.40 7.83 2pooA1 ASP 251 HA -0.04 0.21 0.65 -0.75 4.63 4.70 2pooA1 ASP 251 HB2 -0.07 0.05 0.16 -0.04 2.71 2.80 2pooA1 ASP 251 HB3 -0.06 0.01 0.03 -0.04 2.70 2.63 2pooA1 GLY 252 H -0.03 0.50 -0.14 -0.55 8.43 8.21 2pooA1 GLY 252 HA2 -0.02 0.00 0.18 -0.51 4.01 3.66 2pooA1 GLY 252 HA3 -0.03 0.15 0.59 -0.51 4.01 4.21 2pooA1 ARG 253 H -0.10 -0.07 -0.41 -0.55 8.46 7.33 2pooA1 ARG 253 HA -0.06 0.20 0.51 -0.75 4.34 4.24 2pooA1 ARG 253 HB2 -0.30 -0.13 0.09 -0.04 1.90 1.52 2pooA1 ARG 253 HB3 -0.45 0.05 -0.10 -0.04 1.80 1.26 2pooA1 ARG 253 HG2 -0.09 0.06 -0.06 -0.04 1.67 1.54 2pooA1 ARG 253 HG3 -0.13 0.02 -0.07 -0.04 1.67 1.46 2pooA1 ARG 253 HD2 -0.10 0.02 -0.03 -0.04 3.22 3.07 2pooA1 ARG 253 HD3 -0.20 -0.03 -0.02 -0.04 3.22 2.93 2pooA1 HIS 254 H -0.17 -0.03 0.09 -0.55 8.41 7.76 2pooA1 HIS 254 HA -0.08 0.25 0.81 -0.75 4.63 4.85 2pooA1 HIS 254 HB2 -0.00 -0.02 0.01 -0.04 3.26 3.21 2pooA1 HIS 254 HB3 -0.05 0.02 -0.00 -0.04 3.20 3.12 2pooA1 HIS 254 HD2 -0.40 0.15 -0.36 -0.04 6.97 6.32 2pooA1 HIS 254 HE1 -0.28 0.03 -0.00 -0.04 7.75 7.45 2pooA1 LEU 255 H 0.03 -0.03 0.06 -0.55 8.37 7.88 2pooA1 LEU 255 HA 0.05 0.19 0.75 -0.75 4.35 4.59 2pooA1 LEU 255 HB2 0.04 0.04 -0.09 -0.04 1.64 1.59 2pooA1 LEU 255 HB3 0.05 0.03 -0.23 -0.04 1.64 1.45 2pooA1 LEU 255 HG 0.24 -0.08 -0.40 -0.04 1.64 1.36 2pooA1 LEU 255 HD13 0.07 0.02 -0.34 -0.04 0.93 0.64 2pooA1 LEU 255 HD23 0.17 0.04 -0.22 -0.04 0.89 0.84 2pooA1 THR 256 H -0.00 0.21 -0.04 -0.55 8.28 7.90 2pooA1 THR 256 HA -0.01 0.18 0.74 -0.75 4.39 4.55 2pooA1 THR 256 HB -0.02 -0.16 -0.09 -0.04 4.32 4.01 2pooA1 THR 256 HG23 -0.01 0.08 -0.17 -0.04 1.22 1.07 2pooA1 PRO 257 HA 0.03 -0.01 0.31 -0.51 4.44 4.26 2pooA1 PRO 257 HB2 0.02 0.00 0.03 -0.04 2.28 2.29 2pooA1 PRO 257 HB3 0.03 -0.02 0.12 -0.04 2.02 2.11 2pooA1 PRO 257 HG2 0.01 0.09 0.14 -0.04 2.03 2.23 2pooA1 PRO 257 HG3 0.02 0.07 0.12 -0.04 2.03 2.20 2pooA1 PRO 257 HD2 0.00 0.11 0.13 -0.04 3.68 3.88 2pooA1 PRO 257 HD3 0.00 0.15 0.13 -0.04 3.65 3.90 2pooA1 ASP 258 H 0.02 0.07 0.07 -0.55 8.40 8.01 2pooA1 ASP 258 HA 0.04 0.19 0.32 -0.75 4.63 4.43 2pooA1 ASP 258 HB2 0.04 0.01 -0.07 -0.04 2.71 2.65 2pooA1 ASP 258 HB3 0.06 0.01 -0.07 -0.04 2.70 2.66 2pooA1 ILE 259 H 0.06 0.34 0.23 -0.55 8.25 8.33 2pooA1 ILE 259 HA 0.04 0.15 0.70 -0.75 4.18 4.32 2pooA1 ILE 259 HB 0.08 -0.09 -0.04 -0.04 1.89 1.80 2pooA1 ILE 259 HG12 0.05 -0.06 -0.26 -0.04 1.49 1.18 2pooA1 ILE 259 HG13 0.05 0.13 -0.15 -0.04 1.21 1.20 2pooA1 ILE 259 HG23 0.08 0.03 -0.22 -0.04 0.93 0.78 2pooA1 ILE 259 HD13 0.05 0.02 -0.39 -0.04 0.88 0.52 2pooA1 GLU 260 H 0.04 0.57 0.29 -0.55 8.60 8.96 2pooA1 GLU 260 HA 0.05 0.06 0.93 -0.75 4.29 4.58 2pooA1 GLU 260 HB2 0.04 0.17 0.35 -0.04 2.09 2.61 2pooA1 GLU 260 HB3 0.04 -0.08 0.35 -0.04 1.99 2.26 2pooA1 GLU 260 HG2 0.03 -0.02 -0.16 -0.04 2.34 2.15 2pooA1 GLU 260 HG3 0.03 0.10 0.08 -0.04 2.34 2.51 2pooA1 GLY 261 H 0.07 0.57 0.31 -0.55 8.43 8.83 2pooA1 GLY 261 HA2 0.09 -0.06 0.46 -0.51 4.01 3.99 2pooA1 GLY 261 HA3 0.11 0.02 0.53 -0.51 4.01 4.16 2pooA1 LEU 262 H 0.12 0.27 0.34 -0.55 8.37 8.55 2pooA1 LEU 262 HA 0.14 0.34 0.88 -0.75 4.35 4.95 2pooA1 LEU 262 HB2 0.12 -0.17 -0.13 -0.04 1.64 1.41 2pooA1 LEU 262 HB3 0.12 -0.02 -0.20 -0.04 1.64 1.50 2pooA1 LEU 262 HG 0.07 0.04 -0.11 -0.04 1.64 1.59 2pooA1 LEU 262 HD13 0.10 0.05 -0.10 -0.04 0.93 0.94 2pooA1 LEU 262 HD23 0.16 -0.00 -0.43 -0.04 0.89 0.57 2pooA1 THR 263 H 0.13 0.59 0.28 -0.55 8.28 8.73 2pooA1 THR 263 HA 0.13 0.09 0.59 -0.75 4.39 4.44 2pooA1 THR 263 HB 0.15 0.30 -0.13 -0.04 4.32 4.60 2pooA1 THR 263 HG23 0.28 -0.03 -0.32 -0.04 1.22 1.11 2pooA1 ILE 264 H 0.10 0.19 0.22 -0.55 8.25 8.21 2pooA1 ILE 264 HA -0.02 0.34 1.24 -0.75 4.18 4.98 2pooA1 ILE 264 HB -0.10 -0.04 0.08 -0.04 1.89 1.79 2pooA1 ILE 264 HG12 -0.15 0.12 -0.11 -0.04 1.49 1.30 2pooA1 ILE 264 HG13 -0.01 -0.10 -0.41 -0.04 1.21 0.65 2pooA1 ILE 264 HG23 -0.64 -0.01 -0.24 -0.04 0.93 -0.00 2pooA1 ILE 264 HD13 0.17 -0.00 -0.32 -0.04 0.88 0.69 2pooA1 TYR 265 H 0.06 0.74 0.32 -0.55 8.29 8.86 2pooA1 TYR 265 HA -0.09 0.09 0.80 -0.75 4.56 4.60 2pooA1 TYR 265 HB2 -0.28 0.02 -0.06 -0.04 3.06 2.69 2pooA1 TYR 265 HB3 0.00 -0.08 0.15 -0.04 2.98 3.02 2pooA1 TYR 265 HD2 -0.49 -0.12 -0.18 -0.04 7.15 6.32 2pooA1 TYR 265 HE2 -0.33 0.00 -0.14 -0.04 6.85 6.35 2pooA1 TYR 266 H -0.25 0.15 0.14 -0.55 8.29 7.77 2pooA1 TYR 266 HA -0.10 0.21 0.94 -0.75 4.56 4.86 2pooA1 TYR 266 HB2 -0.18 -0.01 0.19 -0.04 3.06 3.02 2pooA1 TYR 266 HB3 -0.08 0.08 0.03 -0.04 2.98 2.96 2pooA1 TYR 266 HD2 -0.02 0.04 0.03 -0.04 7.15 7.15 2pooA1 TYR 266 HE2 0.09 -0.08 0.08 -0.04 6.85 6.89 2pooA1 ALA 267 H -0.00 0.57 0.23 -0.55 8.40 8.66 2pooA1 ALA 267 HA 0.11 0.12 0.73 -0.75 4.34 4.54 2pooA1 ALA 267 HB3 0.27 -0.05 -0.19 -0.04 1.41 1.40 2pooA1 ALA 268 H 0.19 0.11 0.14 -0.55 8.40 8.29 2pooA1 ALA 268 HA 0.08 0.07 0.53 -0.75 4.34 4.27 2pooA1 ALA 268 HB3 0.10 0.10 0.16 -0.04 1.41 1.73 2pooA1 ASP 269 H 0.05 0.15 0.17 -0.55 8.40 8.22 2pooA1 ASP 269 HA 0.03 0.04 0.35 -0.75 4.63 4.30 2pooA1 ASP 269 HB2 0.06 0.13 -0.06 -0.04 2.71 2.79 2pooA1 ASP 269 HB3 0.04 0.03 0.16 -0.04 2.70 2.89 2pooA1 GLY 270 H 0.07 0.12 -0.07 -0.55 8.43 8.00 2pooA1 GLY 270 HA2 0.16 -0.03 0.27 -0.51 4.01 3.90 2pooA1 GLY 270 HA3 0.16 0.10 0.47 -0.51 4.01 4.23 2pooA1 LYS 271 H 0.08 0.28 -0.64 -0.55 8.42 7.58 2pooA1 LYS 271 HA -0.03 0.07 0.64 -0.75 4.32 4.25 2pooA1 LYS 271 HB2 0.03 0.01 -0.08 -0.04 1.87 1.79 2pooA1 LYS 271 HB3 -0.11 -0.08 0.11 -0.04 1.79 1.67 2pooA1 LYS 271 HG2 0.05 0.12 -0.15 -0.04 1.46 1.44 2pooA1 LYS 271 HG3 0.05 0.00 -0.01 -0.04 1.46 1.47 2pooA1 LYS 271 HD2 -0.02 -0.01 0.01 -0.04 1.69 1.62 2pooA1 LYS 271 HD3 -0.03 -0.06 -0.00 -0.04 1.68 1.55 2pooA1 LYS 271 HE2 0.04 0.01 -0.01 -0.04 2.99 2.98 2pooA1 LYS 271 HE3 0.01 -0.02 -0.01 -0.04 2.99 2.93 2pooA1 GLY 272 H -0.34 0.26 0.26 -0.55 8.43 8.07 2pooA1 GLY 272 HA2 -0.10 -0.03 0.28 -0.51 4.01 3.65 2pooA1 GLY 272 HA3 -0.10 0.33 0.85 -0.51 4.01 4.57 2pooA1 TYR 273 H 0.11 0.40 0.34 -0.55 8.29 8.59 2pooA1 TYR 273 HA -0.01 0.25 0.93 -0.75 4.56 4.98 2pooA1 TYR 273 HB2 0.10 -0.12 -0.06 -0.04 3.06 2.94 2pooA1 TYR 273 HB3 0.06 0.10 0.02 -0.04 2.98 3.12 2pooA1 TYR 273 HD2 -0.09 0.05 -0.15 -0.04 7.15 6.92 2pooA1 TYR 273 HE2 -0.39 0.01 -0.14 -0.04 6.85 6.30 2pooA1 LEU 274 H 0.17 0.61 0.06 -0.55 8.37 8.66 2pooA1 LEU 274 HA -0.03 0.15 0.92 -0.75 4.35 4.63 2pooA1 LEU 274 HB2 -0.32 0.02 -0.12 -0.04 1.64 1.17 2pooA1 LEU 274 HB3 -0.01 0.02 -0.01 -0.04 1.64 1.60 2pooA1 LEU 274 HG -0.05 0.02 -0.41 -0.04 1.64 1.15 2pooA1 LEU 274 HD13 -0.44 0.01 -0.11 -0.04 0.93 0.35 2pooA1 LEU 274 HD23 -0.49 0.00 -0.15 -0.04 0.89 0.21 2pooA1 LEU 275 H 0.15 0.61 0.24 -0.55 8.37 8.82 2pooA1 LEU 275 HA 0.22 0.34 0.90 -0.75 4.35 5.06 2pooA1 LEU 275 HB2 0.30 -0.05 -0.02 -0.04 1.64 1.83 2pooA1 LEU 275 HB3 0.36 0.02 -0.19 -0.04 1.64 1.79 2pooA1 LEU 275 HG 0.35 -0.06 -0.20 -0.04 1.64 1.69 2pooA1 LEU 275 HD13 0.14 0.03 -0.19 -0.04 0.93 0.87 2pooA1 LEU 275 HD23 0.28 -0.01 -0.30 -0.04 0.89 0.82 2pooA1 ALA 276 H 0.22 0.59 0.28 -0.55 8.40 8.94 2pooA1 ALA 276 HA 0.17 0.28 0.98 -0.75 4.34 5.01 2pooA1 ALA 276 HB3 0.18 -0.01 -0.12 -0.04 1.41 1.42 2pooA1 SER 277 H 0.14 0.69 0.09 -0.55 8.46 8.82 2pooA1 SER 277 HA -0.02 0.15 0.79 -0.75 4.49 4.66 2pooA1 SER 277 HB2 0.20 -0.03 -0.07 -0.04 3.95 4.01 2pooA1 SER 277 HB3 0.09 -0.07 0.14 -0.04 3.93 4.05 2pooA1 SER 278 H -0.19 0.55 0.21 -0.55 8.46 8.48 2pooA1 SER 278 HA -0.02 0.09 0.65 -0.75 4.49 4.46 2pooA1 SER 278 HB2 -0.02 0.06 0.02 -0.04 3.95 3.97 2pooA1 SER 278 HB3 -0.13 0.01 0.05 -0.04 3.93 3.81 2pooA1 GLN 279 H -0.03 0.47 0.12 -0.55 8.47 8.48 2pooA1 GLN 279 HA -0.10 -0.09 0.35 -0.75 4.36 3.77 2pooA1 GLN 279 HB2 -0.01 0.08 0.12 -0.04 2.15 2.30 2pooA1 GLN 279 HB3 -0.00 0.05 0.09 -0.04 2.02 2.12 2pooA1 GLN 279 HG2 -0.02 -0.09 0.03 -0.04 2.40 2.27 2pooA1 GLN 279 HG3 -0.02 0.02 -0.28 -0.04 2.39 2.06 2pooA1 GLN 279 HE21 0.03 -0.06 -0.09 -0.04 6.97 6.81 2pooA1 GLN 279 HE22 0.01 0.18 -0.41 -0.04 7.69 7.44 2pooA1 GLY 280 H -0.03 0.43 -0.37 -0.55 8.43 7.91 2pooA1 GLY 280 HA2 -0.02 0.01 0.38 -0.51 4.01 3.87 2pooA1 GLY 280 HA3 -0.02 0.20 0.01 -0.51 4.01 3.68 2pooA1 ASN 281 H -0.07 0.25 -0.26 -0.55 8.53 7.90 2pooA1 ASN 281 HA -0.05 0.20 0.76 -0.75 4.76 4.92 2pooA1 ASN 281 HB2 -0.06 0.02 0.10 -0.04 2.88 2.90 2pooA1 ASN 281 HB3 -0.04 0.02 -0.17 -0.04 2.79 2.56 2pooA1 ASN 281 HD21 -0.03 0.02 -0.18 -0.04 7.03 6.81 2pooA1 ASN 281 HD22 -0.04 0.04 -0.10 -0.04 7.74 7.60 2pooA1 SER 282 H -0.09 0.27 -0.18 -0.55 8.46 7.91 2pooA1 SER 282 HA -0.17 -0.06 0.33 -0.75 4.49 3.84 2pooA1 SER 282 HB2 -0.07 0.14 -0.07 -0.04 3.95 3.92 2pooA1 SER 282 HB3 -0.07 0.08 0.30 -0.04 3.93 4.20 2pooA1 SER 283 H -0.25 0.27 -0.14 -0.55 8.46 7.80 2pooA1 SER 283 HA -0.33 0.27 0.94 -0.75 4.49 4.61 2pooA1 SER 283 HB2 -0.14 0.12 -0.13 -0.04 3.95 3.77 2pooA1 SER 283 HB3 -0.15 -0.08 -0.05 -0.04 3.93 3.61 2pooA1 TYR 284 H -0.37 0.45 0.36 -0.55 8.29 8.18 2pooA1 TYR 284 HA -0.15 0.16 1.07 -0.75 4.56 4.89 2pooA1 TYR 284 HB2 -1.72 -0.06 0.03 -0.04 3.06 1.27 2pooA1 TYR 284 HB3 -0.35 0.01 -0.08 -0.04 2.98 2.51 2pooA1 TYR 284 HD2 -0.37 0.09 -0.22 -0.04 7.15 6.61 2pooA1 TYR 284 HE2 0.03 -0.06 -0.15 -0.04 6.85 6.62 2pooA1 ALA 285 H 0.05 0.49 0.30 -0.55 8.40 8.70 2pooA1 ALA 285 HA -0.01 0.19 1.00 -0.75 4.34 4.77 2pooA1 ALA 285 HB3 0.12 0.03 0.03 -0.04 1.41 1.54 2pooA1 ILE 286 H -0.21 0.68 0.46 -0.55 8.25 8.64 2pooA1 ILE 286 HA 0.06 0.21 1.05 -0.75 4.18 4.75 2pooA1 ILE 286 HB -0.20 -0.14 0.16 -0.04 1.89 1.66 2pooA1 ILE 286 HG12 0.13 -0.02 -0.26 -0.04 1.49 1.30 2pooA1 ILE 286 HG13 0.11 0.08 -0.25 -0.04 1.21 1.11 2pooA1 ILE 286 HG23 -0.15 0.00 -0.14 -0.04 0.93 0.60 2pooA1 ILE 286 HD13 -0.08 -0.01 -0.20 -0.04 0.88 0.55 2pooA1 TYR 287 H 0.21 0.38 0.28 -0.55 8.29 8.61 2pooA1 TYR 287 HA 0.01 0.20 0.92 -0.75 4.56 4.94 2pooA1 TYR 287 HB2 -0.01 -0.06 -0.02 -0.04 3.06 2.93 2pooA1 TYR 287 HB3 0.01 0.17 -0.13 -0.04 2.98 2.99 2pooA1 TYR 287 HD2 0.07 0.21 -0.24 -0.04 7.15 7.15 2pooA1 TYR 287 HE2 0.13 -0.04 -0.14 -0.04 6.85 6.76 2pooA1 GLU 288 H 0.13 0.46 0.02 -0.55 8.60 8.67 2pooA1 GLU 288 HA 0.01 0.15 0.74 -0.75 4.29 4.44 2pooA1 GLU 288 HB2 0.01 -0.07 0.05 -0.04 2.09 2.03 2pooA1 GLU 288 HB3 -0.07 -0.11 0.11 -0.04 1.99 1.88 2pooA1 GLU 288 HG2 0.00 0.01 -0.02 -0.04 2.34 2.29 2pooA1 GLU 288 HG3 0.03 0.21 -0.02 -0.04 2.34 2.51 2pooA1 ARG 289 H -0.16 0.29 0.12 -0.55 8.46 8.15 2pooA1 ARG 289 HA -0.11 0.07 0.32 -0.75 4.34 3.88 2pooA1 ARG 289 HB2 -0.16 -0.08 -0.46 -0.04 1.90 1.15 2pooA1 ARG 289 HB3 -0.10 0.09 -0.14 -0.04 1.80 1.61 2pooA1 ARG 289 HG2 -0.12 -0.01 -0.18 -0.04 1.67 1.32 2pooA1 ARG 289 HG3 -0.17 0.06 -0.18 -0.04 1.67 1.35 2pooA1 ARG 289 HD2 -0.03 0.06 -0.25 -0.04 3.22 2.96 2pooA1 ARG 289 HD3 0.02 -0.15 -0.14 -0.04 3.22 2.91 2pooA1 GLN 290 H -0.12 -0.02 0.07 -0.55 8.47 7.85 2pooA1 GLN 290 HA -0.32 0.13 0.42 -0.75 4.36 3.83 2pooA1 GLN 290 HB2 -0.05 -0.02 -0.08 -0.04 2.15 1.96 2pooA1 GLN 290 HB3 -0.04 0.03 0.12 -0.04 2.02 2.09 2pooA1 GLN 290 HG2 0.00 0.04 -0.03 -0.04 2.40 2.38 2pooA1 GLN 290 HG3 -0.02 0.30 0.16 -0.04 2.39 2.79 2pooA1 GLN 290 HE21 -0.08 0.02 0.03 -0.04 6.97 6.91 2pooA1 GLN 290 HE22 -0.04 0.04 -0.03 -0.04 7.69 7.61 2pooA1 GLY 291 H -0.11 0.12 0.13 -0.55 8.43 8.03 2pooA1 GLY 291 HA2 -0.04 0.06 0.33 -0.51 4.01 3.85 2pooA1 GLY 291 HA3 -0.03 -0.04 0.38 -0.51 4.01 3.82 2pooA1 GLN 292 H -0.01 0.10 0.14 -0.55 8.47 8.15 2pooA1 GLN 292 HA -0.01 0.18 0.53 -0.75 4.36 4.31 2pooA1 GLN 292 HB2 0.01 -0.03 0.06 -0.04 2.15 2.15 2pooA1 GLN 292 HB3 -0.00 0.07 0.14 -0.04 2.02 2.18 2pooA1 GLN 292 HG2 -0.01 -0.08 0.02 -0.04 2.40 2.29 2pooA1 GLN 292 HG3 -0.00 0.02 0.02 -0.04 2.39 2.38 2pooA1 GLN 292 HE21 -0.02 0.03 -0.11 -0.04 6.97 6.83 2pooA1 GLN 292 HE22 -0.01 -0.08 -0.14 -0.04 7.69 7.41 2pooA1 ASN 293 H -0.00 0.29 -0.61 -0.55 8.53 7.67 2pooA1 ASN 293 HA 0.04 0.16 0.16 -0.75 4.76 4.37 2pooA1 ASN 293 HB2 0.01 0.08 -0.14 -0.04 2.88 2.79 2pooA1 ASN 293 HB3 -0.01 -0.06 0.07 -0.04 2.79 2.75 2pooA1 ASN 293 HD21 0.11 -0.01 -0.07 -0.04 7.03 7.03 2pooA1 ASN 293 HD22 -0.03 0.37 0.04 -0.04 7.74 8.08 2pooA1 LYS 294 H 0.06 -0.01 -0.12 -0.55 8.42 7.79 2pooA1 LYS 294 HA 0.16 0.15 0.48 -0.75 4.32 4.36 2pooA1 LYS 294 HB2 0.05 -0.06 0.05 -0.04 1.87 1.86 2pooA1 LYS 294 HB3 0.08 0.14 0.05 -0.04 1.79 2.01 2pooA1 LYS 294 HG2 0.04 -0.12 -0.11 -0.04 1.46 1.23 2pooA1 LYS 294 HG3 0.03 -0.01 -0.00 -0.04 1.46 1.45 2pooA1 LYS 294 HD2 0.06 0.02 0.03 -0.04 1.69 1.76 2pooA1 LYS 294 HD3 0.09 0.06 0.04 -0.04 1.68 1.82 2pooA1 LYS 294 HE2 0.03 0.00 0.01 -0.04 2.99 2.99 2pooA1 LYS 294 HE3 0.03 0.07 -0.04 -0.04 2.99 3.01 2pooA1 TYR 295 H 0.26 0.09 0.19 -0.55 8.29 8.28 2pooA1 TYR 295 HA -0.36 0.11 0.63 -0.75 4.56 4.18 2pooA1 TYR 295 HB2 -0.13 -0.02 0.13 -0.04 3.06 3.00 2pooA1 TYR 295 HB3 -0.08 -0.03 0.14 -0.04 2.98 2.97 2pooA1 TYR 295 HD2 -0.50 0.01 -0.09 -0.04 7.15 6.53 2pooA1 TYR 295 HE2 -0.27 0.04 -0.08 -0.04 6.85 6.50 2pooA1 VAL 296 H -0.68 0.64 0.39 -0.55 8.24 8.05 2pooA1 VAL 296 HA -0.29 0.17 0.84 -0.75 4.13 4.10 2pooA1 VAL 296 HB -0.26 -0.07 -0.01 -0.04 2.12 1.74 2pooA1 VAL 296 HG13 -0.16 -0.01 -0.13 -0.04 0.97 0.63 2pooA1 VAL 296 HG23 0.03 0.00 -0.25 -0.04 0.95 0.69 2pooA1 ALA 297 H -0.63 0.25 0.34 -0.55 8.40 7.82 2pooA1 ALA 297 HA -0.42 0.12 0.61 -0.75 4.34 3.91 2pooA1 ALA 297 HB3 0.20 0.04 -0.03 -0.04 1.41 1.59 2pooA1 ASP 298 H 0.04 0.68 0.46 -0.55 8.40 9.04 2pooA1 ASP 298 HA -0.02 0.26 0.94 -0.75 4.63 5.05 2pooA1 ASP 298 HB2 0.01 -0.02 0.10 -0.04 2.71 2.76 2pooA1 ASP 298 HB3 0.15 -0.03 -0.00 -0.04 2.70 2.78 2pooA1 PHE 299 H -0.27 0.41 0.39 -0.55 8.34 8.31 2pooA1 PHE 299 HA -0.38 0.23 0.80 -0.75 4.62 4.53 2pooA1 PHE 299 HB2 -0.84 0.01 -0.07 -0.04 3.15 2.21 2pooA1 PHE 299 HB3 -2.00 0.05 -0.37 -0.04 3.06 0.71 2pooA1 PHE 299 HD2 -0.29 0.06 -0.33 -0.04 7.28 6.68 2pooA1 PHE 299 HE2 -0.33 -0.02 -0.27 -0.04 7.38 6.71 2pooA1 PHE 299 HZ -1.24 -0.05 -0.22 -0.04 7.32 5.77 2pooA1 GLN 300 H 0.04 0.40 0.44 -0.55 8.47 8.80 2pooA1 GLN 300 HA 0.08 0.21 0.93 -0.75 4.36 4.83 2pooA1 GLN 300 HB2 0.01 -0.05 0.11 -0.04 2.15 2.17 2pooA1 GLN 300 HB3 0.03 0.04 0.07 -0.04 2.02 2.12 2pooA1 GLN 300 HG2 -0.09 0.31 0.11 -0.04 2.40 2.69 2pooA1 GLN 300 HG3 -0.08 -0.11 -0.18 -0.04 2.39 1.99 2pooA1 GLN 300 HE21 -0.05 -0.10 -0.01 -0.04 6.97 6.77 2pooA1 GLN 300 HE22 -0.07 0.22 0.01 -0.04 7.69 7.81 2pooA1 ILE 301 H 0.22 0.28 0.15 -0.55 8.25 8.35 2pooA1 ILE 301 HA 0.16 0.23 0.89 -0.75 4.18 4.71 2pooA1 ILE 301 HB 0.19 -0.07 0.17 -0.04 1.89 2.13 2pooA1 ILE 301 HG12 0.25 0.03 -0.23 -0.04 1.49 1.50 2pooA1 ILE 301 HG13 0.21 -0.05 -0.27 -0.04 1.21 1.07 2pooA1 ILE 301 HG23 0.11 0.01 -0.16 -0.04 0.93 0.86 2pooA1 ILE 301 HD13 0.15 -0.00 -0.19 -0.04 0.88 0.80 2pooA1 THR 302 H 0.08 0.45 0.20 -0.55 8.28 8.46 2pooA1 THR 302 HA 0.04 0.13 0.97 -0.75 4.39 4.77 2pooA1 THR 302 HB 0.02 -0.04 0.14 -0.04 4.32 4.41 2pooA1 THR 302 HG23 0.03 0.00 -0.10 -0.04 1.22 1.11 2pooA1 ASP 303 H 0.02 0.09 0.18 -0.55 8.40 8.14 2pooA1 ASP 303 HA 0.02 0.01 0.52 -0.75 4.63 4.43 2pooA1 ASP 303 HB2 0.02 -0.01 0.14 -0.04 2.71 2.82 2pooA1 ASP 303 HB3 0.02 0.11 0.06 -0.04 2.70 2.84 2pooA1 GLY 304 H 0.02 0.61 0.35 -0.55 8.43 8.87 2pooA1 GLY 304 HA2 0.02 0.17 0.83 -0.51 4.01 4.52 2pooA1 GLY 304 HA3 0.03 -0.01 0.37 -0.51 4.01 3.89 2pooA1 PRO 305 HA 0.02 0.12 0.56 -0.51 4.44 4.64 2pooA1 PRO 305 HB2 0.02 0.04 0.02 -0.04 2.28 2.32 2pooA1 PRO 305 HB3 0.01 0.01 0.10 -0.04 2.02 2.11 2pooA1 PRO 305 HG2 0.02 0.03 0.12 -0.04 2.03 2.16 2pooA1 PRO 305 HG3 0.01 0.04 0.09 -0.04 2.03 2.13 2pooA1 PRO 305 HD2 0.02 0.12 0.25 -0.04 3.68 4.03 2pooA1 PRO 305 HD3 0.02 0.14 0.17 -0.04 3.65 3.93 2pooA1 GLU 306 H 0.03 0.10 -0.01 -0.55 8.60 8.17 2pooA1 GLU 306 HA 0.03 0.20 0.92 -0.75 4.29 4.68 2pooA1 GLU 306 HB2 0.03 0.10 0.12 -0.04 2.09 2.30 2pooA1 GLU 306 HB3 0.03 -0.07 0.06 -0.04 1.99 1.97 2pooA1 GLU 306 HG2 0.04 -0.11 0.12 -0.04 2.34 2.34 2pooA1 GLU 306 HG3 0.05 0.11 0.09 -0.04 2.34 2.55 2pooA1 THR 307 H 0.03 0.09 -0.15 -0.55 8.28 7.69 2pooA1 THR 307 HA 0.00 0.10 0.59 -0.75 4.39 4.32 2pooA1 THR 307 HB 0.04 -0.00 -0.30 -0.04 4.32 4.02 2pooA1 THR 307 HG23 0.03 0.05 -0.15 -0.04 1.22 1.11 2pooA1 ASP 308 H -0.00 0.13 0.12 -0.55 8.40 8.10 2pooA1 ASP 308 HA 0.01 0.01 0.75 -0.75 4.63 4.65 2pooA1 ASP 308 HB2 0.01 -0.05 0.17 -0.04 2.71 2.79 2pooA1 ASP 308 HB3 -0.01 0.02 0.15 -0.04 2.70 2.83 2pooA1 GLY 309 H 0.02 -0.02 0.02 -0.55 8.43 7.91 2pooA1 GLY 309 HA2 0.06 0.11 0.09 -0.51 4.01 3.76 2pooA1 GLY 309 HA3 0.04 -0.01 0.24 -0.51 4.01 3.78 2pooA1 THR 310 H 0.08 0.58 0.31 -0.55 8.28 8.71 2pooA1 THR 310 HA 0.04 0.19 0.99 -0.75 4.39 4.85 2pooA1 THR 310 HB 0.11 0.02 0.03 -0.04 4.32 4.44 2pooA1 THR 310 HG23 0.09 -0.00 -0.22 -0.04 1.22 1.05 2pooA1 SER 311 H 0.01 0.12 0.24 -0.55 8.46 8.29 2pooA1 SER 311 HA -0.02 0.20 0.76 -0.75 4.49 4.68 2pooA1 SER 311 HB2 -0.01 0.04 0.03 -0.04 3.95 3.96 2pooA1 SER 311 HB3 -0.01 0.13 -0.07 -0.04 3.93 3.94 2pooA1 ASP 312 H -0.04 0.22 0.17 -0.55 8.40 8.20 2pooA1 ASP 312 HA -0.03 0.17 0.40 -0.75 4.63 4.42 2pooA1 ASP 312 HB2 -0.01 -0.01 -0.09 -0.04 2.71 2.56 2pooA1 ASP 312 HB3 -0.01 0.03 0.17 -0.04 2.70 2.85 2pooA1 THR 313 H -0.04 0.03 -0.25 -0.55 8.28 7.47 2pooA1 THR 313 HA 0.01 0.06 0.31 -0.75 4.39 4.02 2pooA1 THR 313 HB 0.02 -0.06 -0.07 -0.04 4.32 4.18 2pooA1 THR 313 HG23 0.20 -0.03 -0.31 -0.04 1.22 1.04 2pooA1 ASP 314 H 0.02 0.11 0.14 -0.55 8.40 8.11 2pooA1 ASP 314 HA 0.03 0.09 0.80 -0.75 4.63 4.81 2pooA1 ASP 314 HB2 0.02 0.04 0.29 -0.04 2.71 3.03 2pooA1 ASP 314 HB3 0.04 0.00 0.13 -0.04 2.70 2.84 2pooA1 GLY 315 H 0.08 0.34 0.32 -0.55 8.43 8.63 2pooA1 GLY 315 HA2 0.10 0.02 0.75 -0.51 4.01 4.36 2pooA1 GLY 315 HA3 0.13 0.12 0.55 -0.51 4.01 4.30 2pooA1 ILE 316 H 0.10 0.23 0.32 -0.55 8.25 8.35 2pooA1 ILE 316 HA -0.06 0.30 0.93 -0.75 4.18 4.59 2pooA1 ILE 316 HB -0.12 0.02 -0.03 -0.04 1.89 1.72 2pooA1 ILE 316 HG12 0.18 -0.07 -0.15 -0.04 1.49 1.41 2pooA1 ILE 316 HG13 0.16 0.02 -0.32 -0.04 1.21 1.04 2pooA1 ILE 316 HG23 0.21 -0.01 -0.25 -0.04 0.93 0.83 2pooA1 ILE 316 HD13 0.39 0.03 -0.46 -0.04 0.88 0.80 2pooA1 ASP 317 H -0.23 0.54 0.32 -0.55 8.40 8.49 2pooA1 ASP 317 HA 0.10 0.08 0.53 -0.75 4.63 4.58 2pooA1 ASP 317 HB2 0.04 0.18 -0.28 -0.04 2.71 2.60 2pooA1 ASP 317 HB3 0.01 -0.09 -0.15 -0.04 2.70 2.43 2pooA1 VAL 318 H 0.14 0.24 0.23 -0.55 8.24 8.31 2pooA1 VAL 318 HA 0.20 0.33 1.12 -0.75 4.13 5.02 2pooA1 VAL 318 HB 0.14 0.00 -0.21 -0.04 2.12 2.01 2pooA1 VAL 318 HG13 0.11 -0.03 -0.09 -0.04 0.97 0.92 2pooA1 VAL 318 HG23 0.38 -0.00 -0.30 -0.04 0.95 0.98 2pooA1 LEU 319 H 0.13 0.47 0.20 -0.55 8.37 8.62 2pooA1 LEU 319 HA 0.06 0.12 0.73 -0.75 4.35 4.51 2pooA1 LEU 319 HB2 0.08 0.08 -0.06 -0.04 1.64 1.70 2pooA1 LEU 319 HB3 0.08 -0.05 0.13 -0.04 1.64 1.76 2pooA1 LEU 319 HG 0.11 -0.07 -0.22 -0.04 1.64 1.43 2pooA1 LEU 319 HD13 0.02 -0.00 0.07 -0.04 0.93 0.98 2pooA1 LEU 319 HD23 0.05 0.01 -0.10 -0.04 0.89 0.80 2pooA1 GLY 320 H -0.09 0.17 0.09 -0.55 8.43 8.05 2pooA1 GLY 320 HA2 0.11 0.23 0.66 -0.51 4.01 4.50 2pooA1 GLY 320 HA3 -0.28 0.01 0.38 -0.51 4.01 3.62 2pooA1 PHE 321 H 0.17 0.41 -0.24 -0.55 8.34 8.12 2pooA1 PHE 321 HA -0.00 0.13 0.56 -0.75 4.62 4.55 2pooA1 PHE 321 HB2 -0.07 0.07 -0.34 -0.04 3.15 2.77 2pooA1 PHE 321 HB3 -0.05 -0.04 -0.17 -0.04 3.06 2.76 2pooA1 PHE 321 HD2 -0.07 0.05 -0.27 -0.04 7.28 6.95 2pooA1 PHE 321 HE2 -0.07 0.08 -0.10 -0.04 7.38 7.25 2pooA1 PHE 321 HZ -0.07 0.01 -0.02 -0.04 7.32 7.20 2pooA1 GLY 322 H -0.80 0.17 0.06 -0.55 8.43 7.30 2pooA1 GLY 322 HA2 -0.10 0.07 0.43 -0.51 4.01 3.90 2pooA1 GLY 322 HA3 -0.30 0.05 0.38 -0.51 4.01 3.63 2pooA1 LEU 323 H 0.09 0.53 0.28 -0.55 8.37 8.72 2pooA1 LEU 323 HA 0.06 0.16 0.75 -0.75 4.35 4.57 2pooA1 LEU 323 HB2 0.15 -0.03 0.15 -0.04 1.64 1.88 2pooA1 LEU 323 HB3 0.11 0.01 0.22 -0.04 1.64 1.93 2pooA1 LEU 323 HG 0.00 -0.02 -0.03 -0.04 1.64 1.55 2pooA1 LEU 323 HD13 0.05 0.02 -0.09 -0.04 0.93 0.87 2pooA1 LEU 323 HD23 0.07 0.06 0.00 -0.04 0.89 0.98 2pooA1 GLY 324 H -0.01 0.16 -0.52 -0.55 8.43 7.52 2pooA1 GLY 324 HA2 0.00 0.04 0.21 -0.51 4.01 3.76 2pooA1 GLY 324 HA3 0.05 0.20 0.82 -0.51 4.01 4.58 2pooA1 PRO 325 HA -0.04 0.11 0.37 -0.51 4.44 4.37 2pooA1 PRO 325 HB2 -0.03 0.07 -0.02 -0.04 2.28 2.27 2pooA1 PRO 325 HB3 -0.02 0.03 0.08 -0.04 2.02 2.07 2pooA1 PRO 325 HG2 -0.02 0.03 0.05 -0.04 2.03 2.06 2pooA1 PRO 325 HG3 -0.01 0.07 0.06 -0.04 2.03 2.11 2pooA1 PRO 325 HD2 0.02 0.12 0.22 -0.04 3.68 4.00 2pooA1 PRO 325 HD3 -0.00 0.13 0.14 -0.04 3.65 3.88 2pooA1 GLU 326 H -0.05 0.09 -0.28 -0.55 8.60 7.81 2pooA1 GLU 326 HA -0.19 0.13 0.53 -0.75 4.29 4.01 2pooA1 GLU 326 HB2 -0.87 0.04 -0.12 -0.04 2.09 1.10 2pooA1 GLU 326 HB3 -0.29 0.04 0.04 -0.04 1.99 1.74 2pooA1 GLU 326 HG2 -0.03 0.04 -0.01 -0.04 2.34 2.29 2pooA1 GLU 326 HG3 -0.05 -0.08 0.03 -0.04 2.34 2.19 2pooA1 TYR 327 H 0.04 0.12 -0.53 -0.55 8.29 7.37 2pooA1 TYR 327 HA 0.09 0.22 0.88 -0.75 4.56 5.01 2pooA1 TYR 327 HB2 0.06 -0.05 0.07 -0.04 3.06 3.10 2pooA1 TYR 327 HB3 0.12 0.05 0.02 -0.04 2.98 3.13 2pooA1 TYR 327 HD2 0.09 0.04 -0.09 -0.04 7.15 7.14 2pooA1 TYR 327 HE2 0.07 -0.00 -0.16 -0.04 6.85 6.72 2pooA1 PRO 328 HA -0.16 0.07 0.41 -0.51 4.44 4.25 2pooA1 PRO 328 HB2 -0.54 0.01 -0.03 -0.04 2.28 1.68 2pooA1 PRO 328 HB3 -0.15 0.06 0.05 -0.04 2.02 1.95 2pooA1 PRO 328 HG2 0.28 -0.08 0.00 -0.04 2.03 2.19 2pooA1 PRO 328 HG3 0.08 0.09 0.00 -0.04 2.03 2.17 2pooA1 PRO 328 HD2 0.10 0.18 -0.00 -0.04 3.68 3.92 2pooA1 PRO 328 HD3 -0.01 0.33 -0.33 -0.04 3.65 3.60 2pooA1 PHE 329 H 0.28 0.10 -0.29 -0.55 8.34 7.88 2pooA1 PHE 329 HA 0.11 0.27 0.82 -0.75 4.62 5.06 2pooA1 PHE 329 HB2 0.23 -0.16 0.00 -0.04 3.15 3.18 2pooA1 PHE 329 HB3 0.35 0.00 0.07 -0.04 3.06 3.44 2pooA1 PHE 329 HD2 0.10 -0.02 -0.11 -0.04 7.28 7.21 2pooA1 PHE 329 HE2 0.02 0.06 -0.10 -0.04 7.38 7.31 2pooA1 PHE 329 HZ 0.00 -0.01 -0.02 -0.04 7.32 7.25 2pooA1 GLY 330 H 0.20 0.23 -0.27 -0.55 8.43 8.05 2pooA1 GLY 330 HA2 0.16 0.19 0.45 -0.51 4.01 4.30 2pooA1 GLY 330 HA3 0.22 0.22 0.84 -0.51 4.01 4.78 2pooA1 LEU 331 H 0.16 0.41 0.36 -0.55 8.37 8.75 2pooA1 LEU 331 HA 0.33 0.09 0.76 -0.75 4.35 4.77 2pooA1 LEU 331 HB2 0.01 0.03 -0.05 -0.04 1.64 1.60 2pooA1 LEU 331 HB3 -0.16 0.01 -0.35 -0.04 1.64 1.10 2pooA1 LEU 331 HG -0.07 0.02 -0.33 -0.04 1.64 1.22 2pooA1 LEU 331 HD13 -0.58 0.00 -0.16 -0.04 0.93 0.15 2pooA1 LEU 331 HD23 -0.03 -0.02 -0.08 -0.04 0.89 0.72 2pooA1 PHE 332 H 0.37 0.62 0.30 -0.55 8.34 9.07 2pooA1 PHE 332 HA 0.18 0.19 0.95 -0.75 4.62 5.19 2pooA1 PHE 332 HB2 0.47 -0.05 -0.05 -0.04 3.15 3.48 2pooA1 PHE 332 HB3 0.21 -0.01 0.08 -0.04 3.06 3.30 2pooA1 PHE 332 HD2 0.16 -0.05 -0.21 -0.04 7.28 7.14 2pooA1 PHE 332 HE2 -0.25 -0.03 -0.25 -0.04 7.38 6.81 2pooA1 PHE 332 HZ -0.14 -0.00 -0.23 -0.04 7.32 6.90 2pooA1 VAL 333 H -0.30 0.73 0.34 -0.55 8.24 8.46 2pooA1 VAL 333 HA -0.09 0.42 1.13 -0.75 4.13 4.84 2pooA1 VAL 333 HB -0.10 -0.07 -0.03 -0.04 2.12 1.88 2pooA1 VAL 333 HG13 -0.01 0.01 -0.23 -0.04 0.97 0.69 2pooA1 VAL 333 HG23 -0.05 -0.00 -0.27 -0.04 0.95 0.59 2pooA1 ALA 334 H -0.02 0.50 0.29 -0.55 8.40 8.63 2pooA1 ALA 334 HA -0.05 0.25 0.98 -0.75 4.34 4.76 2pooA1 ALA 334 HB3 -0.08 0.00 -0.12 -0.04 1.41 1.18 2pooA1 GLN 335 H 0.09 0.53 0.27 -0.55 8.47 8.81 2pooA1 GLN 335 HA -0.52 0.13 0.59 -0.75 4.36 3.81 2pooA1 GLN 335 HB2 -0.01 0.14 0.17 -0.04 2.15 2.40 2pooA1 GLN 335 HB3 -0.03 -0.28 0.18 -0.04 2.02 1.84 2pooA1 GLN 335 HG2 -0.54 0.03 0.01 -0.04 2.40 1.86 2pooA1 GLN 335 HG3 -0.26 0.02 -0.25 -0.04 2.39 1.86 2pooA1 GLN 335 HE21 -0.06 -0.00 -0.10 -0.04 6.97 6.76 2pooA1 GLN 335 HE22 -0.15 -0.04 -0.09 -0.04 7.69 7.37 2pooA1 ASP 336 H -0.30 0.49 0.29 -0.55 8.40 8.33 2pooA1 ASP 336 HA -0.03 0.08 0.91 -0.75 4.63 4.85 2pooA1 ASP 336 HB2 -0.03 0.06 -0.17 -0.04 2.71 2.52 2pooA1 ASP 336 HB3 -0.09 -0.06 0.01 -0.04 2.70 2.52 2pooA1 GLY 337 H -0.03 0.69 0.19 -0.55 8.43 8.74 2pooA1 GLY 337 HA2 -0.05 0.04 0.51 -0.51 4.01 4.01 2pooA1 GLY 337 HA3 -0.02 0.08 0.29 -0.51 4.01 3.85 2pooA1 GLU 338 H -0.02 0.06 -0.17 -0.55 8.60 7.92 2pooA1 GLU 338 HA -0.02 0.24 0.92 -0.75 4.29 4.68 2pooA1 GLU 338 HB2 -0.01 -0.05 0.06 -0.04 2.09 2.06 2pooA1 GLU 338 HB3 -0.01 0.03 -0.04 -0.04 1.99 1.93 2pooA1 GLU 338 HG2 -0.01 0.00 -0.07 -0.04 2.34 2.23 2pooA1 GLU 338 HG3 -0.01 0.13 -0.20 -0.04 2.34 2.22 2pooA1 ASN 339 H -0.02 0.26 -0.12 -0.55 8.53 8.10 2pooA1 ASN 339 HA -0.02 0.10 0.66 -0.75 4.76 4.75 2pooA1 ASN 339 HB2 -0.04 -0.13 -0.05 -0.04 2.88 2.62 2pooA1 ASN 339 HB3 -0.02 0.24 -0.17 -0.04 2.79 2.79 2pooA1 ASN 339 HD21 -0.01 -0.05 -0.18 -0.04 7.03 6.74 2pooA1 ASN 339 HD22 -0.01 0.24 -0.19 -0.04 7.74 7.74 2pooA1 ILE 340 H -0.01 0.21 0.09 -0.55 8.25 7.98 2pooA1 ILE 340 HA -0.01 0.26 0.86 -0.75 4.18 4.54 2pooA1 ILE 340 HB -0.01 -0.03 0.08 -0.04 1.89 1.89 2pooA1 ILE 340 HG12 0.00 -0.02 -0.17 -0.04 1.49 1.26 2pooA1 ILE 340 HG13 0.00 0.05 -0.24 -0.04 1.21 0.98 2pooA1 ILE 340 HG23 -0.00 -0.01 -0.30 -0.04 0.93 0.58 2pooA1 ILE 340 HD13 -0.00 -0.02 -0.44 -0.04 0.88 0.38 2pooA1 ASP 341 H -0.01 0.57 0.04 -0.55 8.40 8.44 2pooA1 ASP 341 HA -0.15 0.13 0.97 -0.75 4.63 4.82 2pooA1 ASP 341 HB2 -0.02 0.03 -0.01 -0.04 2.71 2.68 2pooA1 ASP 341 HB3 -0.09 0.01 -0.09 -0.04 2.70 2.49 2pooA1 HIS 342 H -0.26 0.21 0.09 -0.55 8.41 7.91 2pooA1 HIS 342 HA 0.01 0.06 0.31 -0.75 4.63 4.25 2pooA1 HIS 342 HB2 0.01 0.15 0.01 -0.04 3.26 3.39 2pooA1 HIS 342 HB3 0.01 0.01 0.18 -0.04 3.20 3.36 2pooA1 HIS 342 HD2 0.02 0.03 -0.13 -0.04 6.97 6.84 2pooA1 HIS 342 HE1 0.02 0.03 0.01 -0.04 7.75 7.76 2pooA1 GLY 343 H 0.02 0.09 -0.33 -0.55 8.43 7.66 2pooA1 GLY 343 HA2 0.02 -0.01 0.18 -0.51 4.01 3.69 2pooA1 GLY 343 HA3 0.04 0.09 0.35 -0.51 4.01 3.98 2pooA1 GLN 344 H 0.05 0.42 -0.72 -0.55 8.47 7.66 2pooA1 GLN 344 HA 0.02 0.12 0.84 -0.75 4.36 4.60 2pooA1 GLN 344 HB2 0.05 0.12 -0.01 -0.04 2.15 2.27 2pooA1 GLN 344 HB3 0.03 -0.05 0.09 -0.04 2.02 2.05 2pooA1 GLN 344 HG2 0.06 0.12 -0.23 -0.04 2.40 2.31 2pooA1 GLN 344 HG3 0.06 -0.03 -0.01 -0.04 2.39 2.38 2pooA1 GLN 344 HE21 0.02 -0.05 0.00 -0.04 6.97 6.91 2pooA1 GLN 344 HE22 0.03 0.01 0.01 -0.04 7.69 7.70 2pooA1 LYS 345 H 0.02 0.09 0.15 -0.55 8.42 8.12 2pooA1 LYS 345 HA 0.01 0.10 0.56 -0.75 4.32 4.24 2pooA1 LYS 345 HB2 0.01 -0.04 0.17 -0.04 1.87 1.96 2pooA1 LYS 345 HB3 0.01 -0.00 0.01 -0.04 1.79 1.76 2pooA1 LYS 345 HG2 0.00 -0.03 0.02 -0.04 1.46 1.42 2pooA1 LYS 345 HG3 0.00 0.09 0.07 -0.04 1.46 1.58 2pooA1 LYS 345 HD2 0.00 0.01 -0.04 -0.04 1.69 1.62 2pooA1 LYS 345 HD3 0.01 -0.02 0.01 -0.04 1.68 1.63 2pooA1 LYS 345 HE2 0.00 0.00 -0.00 -0.04 2.99 2.95 2pooA1 LYS 345 HE3 0.00 -0.00 -0.01 -0.04 2.99 2.94 2pooA1 ALA 346 H 0.00 0.64 0.38 -0.55 8.40 8.88 2pooA1 ALA 346 HA 0.01 0.08 0.62 -0.75 4.34 4.30 2pooA1 ALA 346 HB3 0.01 -0.00 -0.06 -0.04 1.41 1.31 2pooA1 ASN 347 H 0.02 0.10 0.12 -0.55 8.53 8.22 2pooA1 ASN 347 HA 0.01 0.01 0.57 -0.75 4.76 4.59 2pooA1 ASN 347 HB2 0.03 0.01 0.10 -0.04 2.88 2.98 2pooA1 ASN 347 HB3 0.02 0.02 0.17 -0.04 2.79 2.96 2pooA1 ASN 347 HD21 0.02 -0.10 -0.17 -0.04 7.03 6.75 2pooA1 ASN 347 HD22 0.03 0.34 -0.04 -0.04 7.74 8.03 2pooA1 GLN 348 H -0.01 0.10 0.28 -0.55 8.47 8.30 2pooA1 GLN 348 HA -0.06 0.09 0.48 -0.75 4.36 4.11 2pooA1 GLN 348 HB2 -0.05 -0.29 0.31 -0.04 2.15 2.08 2pooA1 GLN 348 HB3 -0.14 0.09 0.26 -0.04 2.02 2.19 2pooA1 GLN 348 HG2 -0.05 0.18 0.20 -0.04 2.40 2.69 2pooA1 GLN 348 HG3 -0.02 -0.00 0.29 -0.04 2.39 2.61 2pooA1 GLN 348 HE21 -0.02 -0.07 0.11 -0.04 6.97 6.95 2pooA1 GLN 348 HE22 -0.02 0.30 0.24 -0.04 7.69 8.16 2pooA1 ASN 349 H -0.17 0.28 0.27 -0.55 8.53 8.37 2pooA1 ASN 349 HA -0.09 0.06 0.34 -0.75 4.76 4.32 2pooA1 ASN 349 HB2 0.01 -0.05 0.03 -0.04 2.88 2.83 2pooA1 ASN 349 HB3 0.00 0.11 -0.23 -0.04 2.79 2.63 2pooA1 ASN 349 HD21 -0.01 -0.10 -0.11 -0.04 7.03 6.77 2pooA1 ASN 349 HD22 0.00 0.55 -0.03 -0.04 7.74 8.22 2pooA1 PHE 350 H 0.10 0.19 0.15 -0.55 8.34 8.23 2pooA1 PHE 350 HA -0.04 0.29 0.98 -0.75 4.62 5.10 2pooA1 PHE 350 HB2 -0.16 -0.04 -0.07 -0.04 3.15 2.83 2pooA1 PHE 350 HB3 -0.08 0.03 -0.17 -0.04 3.06 2.79 2pooA1 PHE 350 HD2 -0.11 0.01 -0.31 -0.04 7.28 6.83 2pooA1 PHE 350 HE2 0.02 0.06 -0.32 -0.04 7.38 7.10 2pooA1 PHE 350 HZ 0.03 -0.15 -0.16 -0.04 7.32 7.00 2pooA1 LYS 351 H 0.08 0.66 0.29 -0.55 8.42 8.89 2pooA1 LYS 351 HA 0.06 0.26 1.07 -0.75 4.32 4.95 2pooA1 LYS 351 HB2 0.06 0.02 0.06 -0.04 1.87 1.97 2pooA1 LYS 351 HB3 0.08 -0.03 -0.10 -0.04 1.79 1.70 2pooA1 LYS 351 HG2 0.06 0.08 -0.12 -0.04 1.46 1.44 2pooA1 LYS 351 HG3 0.05 0.07 -0.03 -0.04 1.46 1.50 2pooA1 LYS 351 HD2 0.02 -0.11 -0.51 -0.04 1.69 1.05 2pooA1 LYS 351 HD3 0.02 -0.02 -0.23 -0.04 1.68 1.41 2pooA1 LYS 351 HE2 0.02 0.30 -0.19 -0.04 2.99 3.08 2pooA1 LYS 351 HE3 0.01 -0.05 -0.09 -0.04 2.99 2.82 2pooA1 MET 352 H 0.08 0.71 0.25 -0.55 8.47 8.96 2pooA1 MET 352 HA 0.04 0.23 0.93 -0.75 4.52 4.96 2pooA1 MET 352 HB2 0.10 -0.05 0.06 -0.04 2.15 2.22 2pooA1 MET 352 HB3 -0.03 -0.01 -0.10 -0.04 2.03 1.85 2pooA1 MET 352 HG2 -0.09 0.06 -0.15 -0.04 2.63 2.42 2pooA1 MET 352 HG3 -0.04 -0.01 -0.20 -0.04 2.56 2.27 2pooA1 MET 352 HE3 0.04 0.02 -0.33 -0.04 2.10 1.79 2pooA1 VAL 353 H 0.18 0.71 0.27 -0.55 8.24 8.85 2pooA1 VAL 353 HA 0.17 0.11 1.05 -0.75 4.13 4.70 2pooA1 VAL 353 HB 0.33 -0.05 0.04 -0.04 2.12 2.41 2pooA1 VAL 353 HG13 0.07 0.07 -0.23 -0.04 0.97 0.84 2pooA1 VAL 353 HG23 0.19 0.00 -0.31 -0.04 0.95 0.80 2pooA1 PRO 354 HA 0.39 0.21 0.63 -0.51 4.44 5.17 2pooA1 PRO 354 HB2 0.14 -0.06 0.13 -0.04 2.28 2.44 2pooA1 PRO 354 HB3 0.25 0.07 0.14 -0.04 2.02 2.44 2pooA1 PRO 354 HG2 0.12 0.10 0.10 -0.04 2.03 2.31 2pooA1 PRO 354 HG3 0.39 0.07 0.04 -0.04 2.03 2.49 2pooA1 PRO 354 HD2 0.13 0.18 0.25 -0.04 3.68 4.19 2pooA1 PRO 354 HD3 0.22 0.06 0.26 -0.04 3.65 4.14 2pooA1 TRP 355 H 0.47 0.52 0.03 -0.55 7.97 8.44 2pooA1 TRP 355 HA 0.05 0.04 0.19 -0.75 4.62 4.14 2pooA1 TRP 355 HB2 0.22 -0.01 -0.21 -0.04 3.23 3.19 2pooA1 TRP 355 HB3 0.23 0.15 -0.12 -0.04 3.23 3.45 2pooA1 TRP 355 HD1 0.15 0.05 -0.17 -0.04 7.22 7.21 2pooA1 TRP 355 HE1 0.04 0.02 -0.15 -0.04 10.20 10.07 2pooA1 TRP 355 HE3 0.06 0.01 -0.17 -0.04 7.59 7.45 2pooA1 TRP 355 HZ2 -0.61 0.03 -0.17 -0.04 7.44 6.65 2pooA1 TRP 355 HZ3 -0.20 0.03 -0.17 -0.04 7.13 6.74 2pooA1 TRP 355 HH2 -0.36 0.03 -0.18 -0.04 7.19 6.64 2pooA1 GLU 356 H 0.18 0.12 -0.24 -0.55 8.60 8.12 2pooA1 GLU 356 HA -0.36 0.05 0.35 -0.75 4.29 3.58 2pooA1 GLU 356 HB2 -0.28 0.06 0.06 -0.04 2.09 1.89 2pooA1 GLU 356 HB3 -0.29 -0.01 0.05 -0.04 1.99 1.71 2pooA1 GLU 356 HG2 -0.03 0.08 -0.21 -0.04 2.34 2.13 2pooA1 GLU 356 HG3 -0.01 0.05 -0.06 -0.04 2.34 2.28 2pooA1 ARG 357 H -0.11 0.56 -0.47 -0.55 8.46 7.88 2pooA1 ARG 357 HA -0.17 0.06 0.47 -0.75 4.34 3.95 2pooA1 ARG 357 HB2 -0.06 0.29 0.12 -0.04 1.90 2.21 2pooA1 ARG 357 HB3 -0.10 -0.05 0.02 -0.04 1.80 1.63 2pooA1 ARG 357 HG2 -0.04 -0.02 0.09 -0.04 1.67 1.65 2pooA1 ARG 357 HG3 -0.06 -0.05 -0.01 -0.04 1.67 1.51 2pooA1 ARG 357 HD2 0.02 -0.05 0.03 -0.04 3.22 3.17 2pooA1 ARG 357 HD3 0.05 0.02 0.11 -0.04 3.22 3.36 2pooA1 ILE 358 H -0.58 0.43 -0.15 -0.55 8.25 7.40 2pooA1 ILE 358 HA -0.50 0.15 0.59 -0.75 4.18 3.67 2pooA1 ILE 358 HB -1.49 0.04 -0.00 -0.04 1.89 0.40 2pooA1 ILE 358 HG12 -1.10 0.02 -0.20 -0.04 1.49 0.17 2pooA1 ILE 358 HG13 -0.46 -0.06 -0.29 -0.04 1.21 0.37 2pooA1 ILE 358 HG23 -0.88 -0.00 -0.21 -0.04 0.93 -0.21 2pooA1 ILE 358 HD13 -0.30 -0.01 -0.19 -0.04 0.88 0.33 2pooA1 ALA 359 H -1.01 0.50 0.00 -0.55 8.40 7.35 2pooA1 ALA 359 HA -0.53 0.01 0.35 -0.75 4.34 3.42 2pooA1 ALA 359 HB3 -0.47 0.02 -0.01 -0.04 1.41 0.92 2pooA1 ASP 360 H -0.42 0.50 -0.13 -0.55 8.40 7.80 2pooA1 ASP 360 HA -0.29 0.05 0.32 -0.75 4.63 3.95 2pooA1 ASP 360 HB2 -0.20 0.05 0.15 -0.04 2.71 2.66 2pooA1 ASP 360 HB3 -0.23 0.06 0.06 -0.04 2.70 2.55 2pooA1 LYS 361 H -0.52 0.21 -0.57 -0.55 8.42 6.99 2pooA1 LYS 361 HA -0.34 0.09 0.46 -0.75 4.32 3.77 2pooA1 LYS 361 HB2 -1.65 0.09 -0.03 -0.04 1.87 0.24 2pooA1 LYS 361 HB3 -0.99 -0.03 0.08 -0.04 1.79 0.81 2pooA1 LYS 361 HG2 -0.41 0.12 0.05 -0.04 1.46 1.18 2pooA1 LYS 361 HG3 -0.34 0.03 0.07 -0.04 1.46 1.18 2pooA1 LYS 361 HD2 -0.24 0.01 -0.02 -0.04 1.69 1.39 2pooA1 LYS 361 HD3 -0.18 -0.04 -0.03 -0.04 1.68 1.39 2pooA1 LYS 361 HE2 -0.10 -0.04 0.10 -0.04 2.99 2.91 2pooA1 LYS 361 HE3 -0.07 -0.05 0.05 -0.04 2.99 2.88 2pooA1 ILE 362 H -0.46 0.33 -0.32 -0.55 8.25 7.24 2pooA1 ILE 362 HA -0.30 0.24 0.88 -0.75 4.18 4.25 2pooA1 ILE 362 HB -0.23 -0.03 0.07 -0.04 1.89 1.66 2pooA1 ILE 362 HG12 -0.47 0.22 0.09 -0.04 1.49 1.30 2pooA1 ILE 362 HG13 -0.22 -0.07 -0.04 -0.04 1.21 0.83 2pooA1 ILE 362 HG23 -0.25 -0.00 -0.15 -0.04 0.93 0.49 2pooA1 ILE 362 HD13 -0.54 -0.04 -0.13 -0.04 0.88 0.13 2pooA1 GLY 363 H -0.29 0.28 -0.27 -0.55 8.43 7.60 2pooA1 GLY 363 HA2 -0.21 0.03 0.22 -0.51 4.01 3.54 2pooA1 GLY 363 HA3 -0.14 0.09 0.50 -0.51 4.01 3.96 2pooA1 PHE 364 H -0.21 0.38 -0.15 -0.55 8.34 7.81 2pooA1 PHE 364 HA -0.17 0.09 0.64 -0.75 4.62 4.43 2pooA1 PHE 364 HB2 -0.02 0.06 -0.11 -0.04 3.15 3.04 2pooA1 PHE 364 HB3 -0.19 -0.02 0.07 -0.04 3.06 2.87 2pooA1 PHE 364 HD2 0.15 0.02 -0.10 -0.04 7.28 7.30 2pooA1 PHE 364 HE2 0.34 -0.01 -0.12 -0.04 7.38 7.55 2pooA1 PHE 364 HZ 0.31 -0.07 -0.09 -0.04 7.32 7.44 2pooA1 HIS 365 H -0.26 0.21 0.02 -0.55 8.41 7.84 2pooA1 HIS 365 HA -0.39 0.18 0.80 -0.75 4.63 4.47 2pooA1 HIS 365 HB2 -0.13 -0.03 0.11 -0.04 3.26 3.18 2pooA1 HIS 365 HB3 -0.17 0.00 -0.03 -0.04 3.20 2.96 2pooA1 HIS 365 HD2 -0.06 0.03 -0.08 -0.04 6.97 6.82 2pooA1 HIS 365 HE1 -0.14 0.01 -0.09 -0.04 7.75 7.50 2pooA1 PRO 366 HA -0.17 0.03 0.40 -0.51 4.44 4.19 2pooA1 PRO 366 HB2 0.28 0.01 -0.16 -0.04 2.28 2.38 2pooA1 PRO 366 HB3 0.18 0.03 -0.05 -0.04 2.02 2.15 2pooA1 PRO 366 HG2 0.18 0.02 -0.08 -0.04 2.03 2.11 2pooA1 PRO 366 HG3 -0.84 0.02 -0.14 -0.04 2.03 1.03 2pooA1 PRO 366 HD2 -0.46 0.07 0.07 -0.04 3.68 3.32 2pooA1 PRO 366 HD3 -0.62 0.33 -0.18 -0.04 3.65 3.15 2pooA1 GLN 367 H 0.08 0.15 0.11 -0.55 8.47 8.26 2pooA1 GLN 367 HA 0.10 0.12 0.59 -0.75 4.36 4.41 2pooA1 GLN 367 HB2 0.06 0.09 0.14 -0.04 2.15 2.40 2pooA1 GLN 367 HB3 0.07 -0.07 0.14 -0.04 2.02 2.13 2pooA1 GLN 367 HG2 0.04 -0.15 -0.04 -0.04 2.40 2.21 2pooA1 GLN 367 HG3 0.04 0.07 0.05 -0.04 2.39 2.51 2pooA1 GLN 367 HE21 0.04 0.02 0.00 -0.04 6.97 6.99 2pooA1 GLN 367 HE22 0.04 0.03 0.03 -0.04 7.69 7.75 2pooA1 VAL 368 H 0.17 0.23 0.13 -0.55 8.24 8.21 2pooA1 VAL 368 HA -0.01 0.09 0.23 -0.75 4.13 3.69 2pooA1 VAL 368 HB -0.01 0.05 0.11 -0.04 2.12 2.22 2pooA1 VAL 368 HG13 -0.04 -0.00 -0.06 -0.04 0.97 0.83 2pooA1 VAL 368 HG23 -0.49 0.02 0.03 -0.04 0.95 0.47 2pooA1 ASN 369 H 0.01 0.04 -0.38 -0.55 8.53 7.65 2pooA1 ASN 369 HA -0.05 0.23 0.85 -0.75 4.76 5.03 2pooA1 ASN 369 HB2 -0.01 0.04 0.16 -0.04 2.88 3.03 2pooA1 ASN 369 HB3 -0.03 0.00 0.02 -0.04 2.79 2.75 2pooA1 ASN 369 HD21 0.01 -0.00 -0.06 -0.04 7.03 6.94 2pooA1 ASN 369 HD22 0.01 0.03 -0.06 -0.04 7.74 7.68 2pooA1 LYS 370 H 0.05 0.60 -0.25 -0.55 8.42 8.27 2pooA1 LYS 370 HA 0.05 0.23 0.87 -0.75 4.32 4.72 2pooA1 LYS 370 HB2 0.05 -0.09 -0.05 -0.04 1.87 1.74 2pooA1 LYS 370 HB3 0.08 -0.05 0.18 -0.04 1.79 1.96 2pooA1 LYS 370 HG2 0.06 -0.06 0.11 -0.04 1.46 1.53 2pooA1 LYS 370 HG3 0.04 0.09 0.08 -0.04 1.46 1.63 2pooA1 LYS 370 HD2 0.05 -0.03 0.03 -0.04 1.69 1.70 2pooA1 LYS 370 HD3 0.04 -0.00 0.02 -0.04 1.68 1.70 2pooA1 LYS 370 HE2 0.03 0.06 -0.03 -0.04 2.99 3.01 2pooA1 LYS 370 HE3 0.03 -0.05 -0.06 -0.04 2.99 2.87 2pooA1 GLN 371 H 0.06 0.15 -0.22 -0.55 8.47 7.92 2pooA1 GLN 371 HA 0.14 0.05 0.73 -0.75 4.36 4.53 2pooA1 GLN 371 HB2 0.01 -0.03 0.05 -0.04 2.15 2.13 2pooA1 GLN 371 HB3 0.19 0.30 0.10 -0.04 2.02 2.57 2pooA1 GLN 371 HG2 0.20 -0.04 -0.07 -0.04 2.40 2.45 2pooA1 GLN 371 HG3 0.10 0.01 -0.16 -0.04 2.39 2.30 2pooA1 GLN 371 HE21 -0.30 0.20 0.12 -0.04 6.97 6.94 2pooA1 GLN 371 HE22 -0.20 0.33 0.14 -0.04 7.69 7.92 2pooA1 VAL 372 H 0.09 0.22 0.14 -0.55 8.24 8.14 2pooA1 VAL 372 HA 0.02 0.06 0.51 -0.75 4.13 3.96 2pooA1 VAL 372 HB -0.03 0.09 0.08 -0.04 2.12 2.22 2pooA1 VAL 372 HG13 -0.13 -0.02 -0.26 -0.04 0.97 0.53 2pooA1 VAL 372 HG23 0.04 0.00 -0.26 -0.04 0.95 0.70 2pooA1 ASP 373 H -0.12 0.21 0.15 -0.55 8.40 8.08 2pooA1 ASP 373 HA -1.07 0.13 0.53 -0.75 4.63 3.47 2pooA1 ASP 373 HB2 -0.30 0.10 0.08 -0.04 2.71 2.54 2pooA1 ASP 373 HB3 -0.25 0.01 0.10 -0.04 2.70 2.52 2pooA1 PRO 374 HA -0.29 0.07 0.35 -0.51 4.44 4.06 2pooA1 PRO 374 HB2 -0.89 -0.02 0.06 -0.04 2.28 1.38 2pooA1 PRO 374 HB3 -0.28 0.03 0.09 -0.04 2.02 1.82 2pooA1 PRO 374 HG2 -0.37 0.02 0.06 -0.04 2.03 1.70 2pooA1 PRO 374 HG3 -0.24 0.06 0.09 -0.04 2.03 1.91 2pooA1 PRO 374 HD2 -0.77 0.08 0.15 -0.04 3.68 3.11 2pooA1 PRO 374 HD3 -0.68 0.32 0.28 -0.04 3.65 3.53 2pooA1 ARG 375 H -0.44 0.13 -0.20 -0.55 8.46 7.39 2pooA1 ARG 375 HA -0.11 0.22 0.86 -0.75 4.34 4.55 2pooA1 ARG 375 HB2 -0.08 0.06 0.15 -0.04 1.90 2.00 2pooA1 ARG 375 HB3 -0.19 -0.07 0.00 -0.04 1.80 1.50 2pooA1 ARG 375 HG2 -0.26 0.02 -0.08 -0.04 1.67 1.31 2pooA1 ARG 375 HG3 -0.14 0.03 -0.01 -0.04 1.67 1.51 2pooA1 ARG 375 HD2 -0.76 -0.08 -0.03 -0.04 3.22 2.31 2pooA1 ARG 375 HD3 -0.39 0.04 -0.04 -0.04 3.22 2.79 2pooA1 LYS 376 H -0.20 0.44 -0.57 -0.55 8.42 7.54 2pooA1 LYS 376 HA -0.08 0.19 0.74 -0.75 4.32 4.41 2pooA1 LYS 376 HB2 -0.16 -0.12 -0.06 -0.04 1.87 1.49 2pooA1 LYS 376 HB3 -0.09 -0.02 0.22 -0.04 1.79 1.87 2pooA1 LYS 376 HG2 -0.06 0.02 0.06 -0.04 1.46 1.45 2pooA1 LYS 376 HG3 -0.09 0.11 -0.17 -0.04 1.46 1.27 2pooA1 LYS 376 HD2 -0.09 -0.04 -0.06 -0.04 1.69 1.46 2pooA1 LYS 376 HD3 -0.06 -0.01 0.02 -0.04 1.68 1.58 2pooA1 LYS 376 HE2 -0.03 -0.02 0.00 -0.04 2.99 2.91 2pooA1 LYS 376 HE3 -0.03 0.00 0.01 -0.04 2.99 2.93 2pooA1 MET 377 H -0.10 0.12 -0.07 -0.55 8.47 7.87 2pooA1 MET 377 HA -0.10 0.12 0.72 -0.75 4.52 4.51 2pooA1 MET 377 HB2 -0.12 0.04 0.02 -0.04 2.15 2.05 2pooA1 MET 377 HB3 -0.13 -0.08 0.12 -0.04 2.03 1.90 2pooA1 MET 377 HG2 -0.23 0.04 -0.13 -0.04 2.63 2.26 2pooA1 MET 377 HG3 -0.20 0.17 0.02 -0.04 2.56 2.51 2pooA1 MET 377 HE3 -0.23 -0.00 0.11 -0.04 2.10 1.94 2pooA1 THR 378 H -0.08 0.09 0.16 -0.55 8.28 7.90 2pooA1 THR 378 HA -0.07 0.26 0.94 -0.75 4.39 4.77 2pooA1 THR 378 HB -0.07 0.08 -0.05 -0.04 4.32 4.23 2pooA1 THR 378 HG23 -0.05 -0.03 0.10 -0.04 1.22 1.21 2pooA1 ASP 379 H -0.07 0.16 0.18 -0.55 8.40 8.13 2pooA1 ASP 379 HA -0.08 0.12 0.78 -0.75 4.63 4.70 2pooA1 ASP 379 HB2 -0.07 0.33 -0.00 -0.04 2.71 2.93 2pooA1 ASP 379 HB3 -0.05 0.00 0.11 -0.04 2.70 2.72 2pooA1 ARG 380 H -0.11 0.50 0.31 -0.55 8.46 8.61 2pooA1 ARG 380 HA -0.14 0.12 0.62 -0.75 4.34 4.18 2pooA1 ARG 380 HB2 -0.59 -0.04 -0.37 -0.04 1.90 0.86 2pooA1 ARG 380 HB3 -0.83 -0.01 0.11 -0.04 1.80 1.04 2pooA1 ARG 380 HG2 -0.27 0.01 0.01 -0.04 1.67 1.38 2pooA1 ARG 380 HG3 -0.21 0.18 -0.30 -0.04 1.67 1.29 2pooA1 ARG 380 HD2 -0.36 -0.06 -0.18 -0.04 3.22 2.58 2pooA1 ARG 380 HD3 -0.82 0.02 -0.07 -0.04 3.22 2.31 2pooA1 SER 381 H -0.04 0.01 0.02 -0.55 8.46 7.90 2pooA1 SER 381 HA 0.05 0.29 0.28 -0.75 4.49 4.35 2pooA1 SER 381 HB2 0.00 -0.01 0.06 -0.04 3.95 3.96 2pooA1 SER 381 HB3 0.03 0.04 0.05 -0.04 3.93 4.01