============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TRP 6 1.040 243.238-157.774 -66.176 -99.200 -91.000 TRP6 6 1.020 243.706-156.929 -68.332 -99.200 -91.000 TYR 19 0.840 226.692-165.659 -79.150 -99.200 -91.000 PHE 28 1.000 220.542-164.268 -94.613 -99.200 -91.000 PHE 36 1.000 223.464-157.794 -85.940 -99.200 -91.000 PHE 43 1.000 229.864-155.968 -81.622 -99.200 -91.000 PHE 60 1.000 246.065-155.936 -74.126 -99.200 -91.000 PHE 63 1.000 247.333-152.453 -68.612 -99.200 -91.000 TYR 72 0.840 247.135-154.372 -61.995 -99.200 -91.000 TRP 78 1.040 246.667-159.577 -61.653 -99.200 -91.000 TRP6 78 1.020 246.748-161.057 -63.483 -99.200 -91.000 PHE 79 1.000 249.208-167.696 -61.801 -99.200 -91.000 PHE 91 1.000 242.677-151.811 -71.081 -99.200 -91.000 TYR 95 0.840 237.799-150.527 -73.142 -99.200 -91.000 TYR 125 0.840 236.332-168.464 -68.665 -99.200 -91.000 TYR 139 0.840 234.638-185.288 -65.226 -99.200 -91.000 PHE 149 1.000 257.531-186.727 -73.723 -99.200 -91.000 PHE 176 1.000 259.412-197.972 -78.420 -99.200 -91.000 PHE 177 1.000 253.724-195.583 -72.516 -99.200 -91.000 PHE 186 1.000 252.405-200.696 -74.896 -99.200 -91.000 TYR 199 0.840 258.166-209.792 -72.360 -99.200 -91.000 PHE 201 1.000 256.116-202.662 -72.219 -99.200 -91.000 TRP 206 1.040 254.781-188.620 -70.556 -99.200 -91.000 TRP6 206 1.020 253.667-189.331 -72.508 -99.200 -91.000 TYR 216 0.840 239.830-199.899 -85.060 -99.200 -91.000 TYR 218 0.840 247.537-199.986 -85.199 -99.200 -91.000 PHE 219 1.000 251.901-207.001 -81.721 -99.200 -91.000 PHE 223 1.000 257.572-191.102 -82.675 -99.200 -91.000 PHE 224 1.000 254.602-187.123 -84.201 -99.200 -91.000 PHE 244 1.000 246.005-203.617 -73.762 -99.200 -91.000 PHE 263 1.000 243.581-199.139 -73.678 -99.200 -91.000 PHE 281 1.000 257.066-205.998 -77.454 -99.200 -91.000 PHE 289 1.000 245.104-191.725 -76.842 -99.200 -91.000 TYR 299 0.840 248.515-180.204 -70.903 -99.200 -91.000 TYR 300 0.840 245.264-177.320 -69.334 -99.200 -91.000 PHE 315 1.000 249.966-175.609 -70.612 -99.200 -91.000 PHE 320 1.000 243.284-170.053 -78.881 -99.200 -91.000 PHE 324 1.000 248.956-158.398 -80.749 -99.200 -91.000 TYR 334 0.840 257.422-159.243 -85.548 -99.200 -91.000 PHE 337 1.000 252.946-156.472 -78.209 -99.200 -91.000 TYR 352 0.840 256.325-165.222 -60.031 -99.200 -91.000 PHE 364 1.000 263.444-165.133 -72.314 -99.200 -91.000 TRP 368 1.040 256.090-161.229 -78.707 -99.200 -91.000 TRP6 368 1.020 253.737-161.422 -78.644 -99.200 -91.000 PHE 369 1.000 256.326-164.762 -82.893 -99.200 -91.000 PHE 371 1.000 254.393-169.599 -72.485 -99.200 -91.000 HIS 395 0.900 252.118-163.706 -63.153 -99.200 -91.000 TRP 397 1.040 249.661-170.464 -71.523 -99.200 -91.000 TRP6 397 1.020 247.348-169.963 -71.509 -99.200 -91.000 PHE 406 1.000 241.382-158.032 -72.983 -99.200 -91.000 TYR 409 0.840 238.305-157.220 -82.585 -99.200 -91.000 TYR 410 0.840 248.238-152.045 -82.136 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1uf2J1 MET 1 HA 0.30 -0.05 0.10 -0.75 4.52 4.11 1uf2J1 MET 1 HB2 0.06 0.12 0.02 -0.04 2.15 2.31 1uf2J1 MET 1 HB3 0.13 -0.44 0.17 -0.04 2.03 1.85 1uf2J1 MET 1 HG2 0.09 -0.00 0.11 -0.04 2.63 2.78 1uf2J1 MET 1 HG3 0.02 0.02 0.06 -0.04 2.56 2.62 1uf2J1 MET 1 HE3 -0.02 0.02 0.04 -0.04 2.10 2.10 1uf2J1 SER 2 H 0.19 0.05 0.04 -0.55 8.46 8.19 1uf2J1 SER 2 HA 0.17 0.17 0.21 -0.75 4.49 4.29 1uf2J1 SER 2 HB2 0.08 0.10 0.04 -0.04 3.95 4.13 1uf2J1 SER 2 HB3 0.10 -0.13 0.00 -0.04 3.93 3.86 1uf2J1 ARG 3 H -0.22 0.25 0.18 -0.55 8.46 8.12 1uf2J1 ARG 3 HA -0.24 0.18 0.53 -0.75 4.34 4.05 1uf2J1 ARG 3 HB2 -0.80 -0.04 0.05 -0.04 1.90 1.07 1uf2J1 ARG 3 HB3 -1.48 0.40 0.19 -0.04 1.80 0.87 1uf2J1 ARG 3 HG2 -0.33 -0.03 0.10 -0.04 1.67 1.37 1uf2J1 ARG 3 HG3 -0.26 -0.16 -0.04 -0.04 1.67 1.17 1uf2J1 ARG 3 HD2 -0.51 -0.02 -0.09 -0.04 3.22 2.56 1uf2J1 ARG 3 HD3 -0.53 0.26 -0.14 -0.04 3.22 2.77 1uf2J1 GLN 4 H -0.06 0.13 -0.07 -0.55 8.47 7.92 1uf2J1 GLN 4 HA 0.04 0.06 0.28 -0.75 4.36 3.99 1uf2J1 GLN 4 HB2 -0.01 0.01 0.07 -0.04 2.15 2.18 1uf2J1 GLN 4 HB3 0.03 0.03 -0.14 -0.04 2.02 1.90 1uf2J1 GLN 4 HG2 -0.04 0.06 -0.01 -0.04 2.40 2.37 1uf2J1 GLN 4 HG3 -0.01 0.03 -0.02 -0.04 2.39 2.36 1uf2J1 GLN 4 HE21 0.10 -0.03 -0.06 -0.04 6.97 6.94 1uf2J1 GLN 4 HE22 -0.01 0.07 -0.04 -0.04 7.69 7.66 1uf2J1 MET 5 H 0.13 0.02 -0.67 -0.55 8.47 7.40 1uf2J1 MET 5 HA 0.06 -0.02 0.15 -0.75 4.52 3.96 1uf2J1 MET 5 HB2 0.12 -0.21 -0.07 -0.04 2.15 1.95 1uf2J1 MET 5 HB3 0.10 0.28 -0.31 -0.04 2.03 2.06 1uf2J1 MET 5 HG2 -0.04 0.07 -0.29 -0.04 2.63 2.33 1uf2J1 MET 5 HG3 0.01 -0.09 -0.13 -0.04 2.56 2.31 1uf2J1 MET 5 HE3 0.03 -0.02 0.02 -0.04 2.10 2.08 1uf2J1 TRP 6 H 0.47 0.43 -0.50 -0.55 7.97 7.82 1uf2J1 TRP 6 HA 0.24 0.10 0.54 -0.75 4.62 4.74 1uf2J1 TRP 6 HB2 0.43 0.16 0.20 -0.04 3.23 3.98 1uf2J1 TRP 6 HB3 0.35 -0.09 -0.04 -0.04 3.23 3.41 1uf2J1 TRP 6 HD1 0.65 0.37 -0.07 -0.04 7.22 8.13 1uf2J1 TRP 6 HE1 0.38 0.03 -0.03 -0.04 10.20 10.53 1uf2J1 TRP 6 HE3 0.01 -0.07 -0.04 -0.04 7.59 7.45 1uf2J1 TRP 6 HZ2 0.02 -0.06 -0.04 -0.04 7.44 7.32 1uf2J1 TRP 6 HZ3 -0.98 -0.00 -0.05 -0.04 7.13 6.06 1uf2J1 TRP 6 HH2 0.28 -0.04 -0.05 -0.04 7.19 7.34 1uf2J1 LEU 7 H 0.38 0.57 0.06 -0.55 8.37 8.84 1uf2J1 LEU 7 HA 0.37 -0.03 0.34 -0.75 4.35 4.27 1uf2J1 LEU 7 HB2 0.20 0.05 0.10 -0.04 1.64 1.95 1uf2J1 LEU 7 HB3 0.32 -0.08 -0.02 -0.04 1.64 1.81 1uf2J1 LEU 7 HG 0.16 0.19 -0.00 -0.04 1.64 1.95 1uf2J1 LEU 7 HD13 -0.02 -0.01 -0.11 -0.04 0.93 0.74 1uf2J1 LEU 7 HD23 0.23 -0.01 -0.03 -0.04 0.89 1.04 1uf2J1 ASP 8 H 0.18 0.76 -0.25 -0.55 8.40 8.54 1uf2J1 ASP 8 HA 0.05 -0.08 0.35 -0.75 4.63 4.19 1uf2J1 ASP 8 HB2 0.07 0.26 0.11 -0.04 2.71 3.11 1uf2J1 ASP 8 HB3 0.02 0.12 0.07 -0.04 2.70 2.87 1uf2J1 THR 9 H 0.12 0.41 -0.26 -0.55 8.28 8.00 1uf2J1 THR 9 HA 0.02 0.04 0.48 -0.75 4.39 4.17 1uf2J1 THR 9 HB 0.21 0.04 0.16 -0.04 4.32 4.69 1uf2J1 THR 9 HG23 0.08 -0.01 -0.07 -0.04 1.22 1.18 1uf2J1 SER 10 H 0.32 0.72 -0.02 -0.55 8.46 8.93 1uf2J1 SER 10 HA -0.03 0.04 0.39 -0.75 4.49 4.13 1uf2J1 SER 10 HB2 0.48 0.04 0.04 -0.04 3.95 4.46 1uf2J1 SER 10 HB3 0.32 0.11 0.20 -0.04 3.93 4.52 1uf2J1 ALA 11 H 0.07 0.78 -0.10 -0.55 8.40 8.61 1uf2J1 ALA 11 HA -0.09 -0.14 0.35 -0.75 4.34 3.70 1uf2J1 ALA 11 HB3 -0.47 0.05 0.07 -0.04 1.41 1.02 1uf2J1 LEU 12 H -0.06 0.44 -0.32 -0.55 8.37 7.88 1uf2J1 LEU 12 HA -0.09 -0.03 0.49 -0.75 4.35 3.97 1uf2J1 LEU 12 HB2 -0.06 -0.02 0.09 -0.04 1.64 1.61 1uf2J1 LEU 12 HB3 -0.05 0.19 0.17 -0.04 1.64 1.91 1uf2J1 LEU 12 HG -0.05 -0.03 -0.19 -0.04 1.64 1.33 1uf2J1 LEU 12 HD13 -0.10 -0.04 0.08 -0.04 0.93 0.83 1uf2J1 LEU 12 HD23 -0.03 0.03 -0.07 -0.04 0.89 0.78 1uf2J1 LEU 13 H -0.11 0.63 -0.11 -0.55 8.37 8.24 1uf2J1 LEU 13 HA -0.05 0.09 0.68 -0.75 4.35 4.31 1uf2J1 LEU 13 HB2 -0.32 0.12 0.20 -0.04 1.64 1.60 1uf2J1 LEU 13 HB3 -0.18 -0.02 0.00 -0.04 1.64 1.40 1uf2J1 LEU 13 HG -0.29 0.10 -0.02 -0.04 1.64 1.39 1uf2J1 LEU 13 HD13 -1.02 0.01 -0.08 -0.04 0.93 -0.21 1uf2J1 LEU 13 HD23 -0.03 -0.01 0.02 -0.04 0.89 0.83 1uf2J1 GLU 14 H -0.04 0.59 0.04 -0.55 8.60 8.64 1uf2J1 GLU 14 HA 0.05 0.06 0.49 -0.75 4.29 4.13 1uf2J1 GLU 14 HB2 0.02 0.12 0.12 -0.04 2.09 2.31 1uf2J1 GLU 14 HB3 0.08 -0.08 0.08 -0.04 1.99 2.03 1uf2J1 GLU 14 HG2 0.09 0.06 0.06 -0.04 2.34 2.51 1uf2J1 GLU 14 HG3 0.05 0.16 -0.02 -0.04 2.34 2.48 1uf2J1 ALA 15 H -0.03 0.32 -0.52 -0.55 8.40 7.63 1uf2J1 ALA 15 HA 0.06 -0.02 0.54 -0.75 4.34 4.16 1uf2J1 ALA 15 HB3 -0.10 0.07 0.09 -0.04 1.41 1.43 1uf2J1 ILE 16 H -0.02 0.39 -0.20 -0.55 8.25 7.88 1uf2J1 ILE 16 HA -0.10 0.00 0.35 -0.75 4.18 3.68 1uf2J1 ILE 16 HB 0.09 0.16 0.19 -0.04 1.89 2.29 1uf2J1 ILE 16 HG12 -0.02 0.53 0.35 -0.04 1.49 2.30 1uf2J1 ILE 16 HG13 0.06 -0.03 0.05 -0.04 1.21 1.25 1uf2J1 ILE 16 HG23 0.14 -0.02 -0.07 -0.04 0.93 0.93 1uf2J1 ILE 16 HD13 -0.08 -0.01 -0.10 -0.04 0.88 0.65 1uf2J1 SER 17 H 0.08 0.53 -0.24 -0.55 8.46 8.28 1uf2J1 SER 17 HA 0.14 0.02 0.40 -0.75 4.49 4.30 1uf2J1 SER 17 HB2 0.10 0.04 0.12 -0.04 3.95 4.18 1uf2J1 SER 17 HB3 0.08 0.06 0.20 -0.04 3.93 4.23 1uf2J1 GLU 18 H 0.10 0.60 -0.03 -0.55 8.60 8.72 1uf2J1 GLU 18 HA 0.05 -0.02 0.36 -0.75 4.29 3.93 1uf2J1 GLU 18 HB2 0.09 0.00 0.17 -0.04 2.09 2.31 1uf2J1 GLU 18 HB3 0.20 0.09 0.22 -0.04 1.99 2.46 1uf2J1 GLU 18 HG2 -0.07 0.00 -0.32 -0.04 2.34 1.91 1uf2J1 GLU 18 HG3 -0.01 -0.03 -0.02 -0.04 2.34 2.24 1uf2J1 TYR 19 H 0.32 0.65 -0.19 -0.55 8.29 8.52 1uf2J1 TYR 19 HA -0.01 -0.03 0.44 -0.75 4.56 4.20 1uf2J1 TYR 19 HB2 -0.10 0.20 0.10 -0.04 3.06 3.22 1uf2J1 TYR 19 HB3 -0.08 -0.07 0.06 -0.04 2.98 2.85 1uf2J1 TYR 19 HD2 -0.04 0.09 0.08 -0.04 7.15 7.24 1uf2J1 TYR 19 HE2 -0.03 -0.02 -0.00 -0.04 6.85 6.75 1uf2J1 VAL 20 H 0.10 0.58 -0.23 -0.55 8.24 8.13 1uf2J1 VAL 20 HA 0.10 -0.02 0.52 -0.75 4.13 3.98 1uf2J1 VAL 20 HB 0.12 0.14 0.28 -0.04 2.12 2.62 1uf2J1 VAL 20 HG13 0.12 -0.03 -0.15 -0.04 0.97 0.88 1uf2J1 VAL 20 HG23 0.16 0.04 0.02 -0.04 0.95 1.13 1uf2J1 VAL 21 H 0.06 0.65 0.06 -0.55 8.24 8.45 1uf2J1 VAL 21 HA 0.03 -0.01 0.37 -0.75 4.13 3.77 1uf2J1 VAL 21 HB 0.03 -0.03 0.08 -0.04 2.12 2.17 1uf2J1 VAL 21 HG13 0.00 0.07 0.01 -0.04 0.97 1.01 1uf2J1 VAL 21 HG23 0.01 -0.02 0.04 -0.04 0.95 0.94 1uf2J1 ARG 22 H -0.02 0.26 -0.58 -0.55 8.46 7.57 1uf2J1 ARG 22 HA -0.05 0.05 0.47 -0.75 4.34 4.07 1uf2J1 ARG 22 HB2 -0.15 0.11 0.14 -0.04 1.90 1.95 1uf2J1 ARG 22 HB3 -0.13 -0.12 -0.07 -0.04 1.80 1.44 1uf2J1 ARG 22 HG2 -0.15 -0.02 0.00 -0.04 1.67 1.46 1uf2J1 ARG 22 HG3 -0.24 0.19 -0.07 -0.04 1.67 1.50 1uf2J1 ARG 22 HD2 -0.78 -0.03 -0.02 -0.04 3.22 2.34 1uf2J1 ARG 22 HD3 -0.28 -0.05 -0.01 -0.04 3.22 2.84 1uf2J1 CYS 23 H 0.03 0.50 -0.13 -0.55 8.50 8.35 1uf2J1 CYS 23 HA 0.02 0.02 0.53 -0.75 4.58 4.40 1uf2J1 CYS 23 HB2 0.12 0.15 0.14 -0.04 2.97 3.33 1uf2J1 CYS 23 HB3 0.10 -0.11 0.07 -0.04 2.97 2.99 1uf2J1 ASN 24 H 0.01 0.29 -0.52 -0.55 8.53 7.77 1uf2J1 ASN 24 HA -0.02 -0.05 0.40 -0.75 4.76 4.33 1uf2J1 ASN 24 HB2 0.01 0.05 0.09 -0.04 2.88 2.99 1uf2J1 ASN 24 HB3 -0.00 0.12 0.10 -0.04 2.79 2.96 1uf2J1 ASN 24 HD21 -0.00 -0.04 -0.03 -0.04 7.03 6.92 1uf2J1 ASN 24 HD22 0.01 0.02 -0.00 -0.04 7.74 7.73 1uf2J1 GLY 25 H -0.10 0.12 0.21 -0.55 8.43 8.12 1uf2J1 GLY 25 HA2 -0.15 -0.03 0.38 -0.51 4.01 3.70 1uf2J1 GLY 25 HA3 -0.06 0.09 0.38 -0.51 4.01 3.90 1uf2J1 ASP 26 H -0.14 0.47 -0.76 -0.55 8.40 7.42 1uf2J1 ASP 26 HA -0.02 0.12 0.76 -0.75 4.63 4.74 1uf2J1 ASP 26 HB2 -0.01 0.10 0.04 -0.04 2.71 2.80 1uf2J1 ASP 26 HB3 0.09 -0.16 0.19 -0.04 2.70 2.78 1uf2J1 THR 27 H -0.65 0.15 -0.32 -0.55 8.28 6.92 1uf2J1 THR 27 HA -0.29 0.15 1.00 -0.75 4.39 4.50 1uf2J1 THR 27 HB -0.33 -0.03 0.24 -0.04 4.32 4.16 1uf2J1 THR 27 HG23 -0.56 0.01 0.03 -0.04 1.22 0.66 1uf2J1 PHE 28 H 0.04 0.14 0.00 -0.55 8.34 7.98 1uf2J1 PHE 28 HA -0.05 0.27 1.01 -0.75 4.62 5.09 1uf2J1 PHE 28 HB2 -0.03 0.01 -0.04 -0.04 3.15 3.04 1uf2J1 PHE 28 HB3 -0.03 -0.12 0.08 -0.04 3.06 2.95 1uf2J1 PHE 28 HD2 -0.03 -0.01 -0.09 -0.04 7.28 7.11 1uf2J1 PHE 28 HE2 -0.02 0.02 -0.02 -0.04 7.38 7.32 1uf2J1 PHE 28 HZ -0.02 0.12 0.05 -0.04 7.32 7.43 1uf2J1 SER 29 H 0.17 0.08 0.13 -0.55 8.46 8.29 1uf2J1 SER 29 HA 0.02 0.15 0.40 -0.75 4.49 4.30 1uf2J1 SER 29 HB2 0.05 0.02 0.16 -0.04 3.95 4.14 1uf2J1 SER 29 HB3 0.05 -0.11 0.19 -0.04 3.93 4.02 1uf2J1 GLY 30 H 0.04 0.09 0.02 -0.55 8.43 8.04 1uf2J1 GLY 30 HA2 0.03 0.22 0.80 -0.51 4.01 4.55 1uf2J1 GLY 30 HA3 0.02 -0.01 0.40 -0.51 4.01 3.91 1uf2J1 LEU 31 H 0.05 0.58 -0.64 -0.55 8.37 7.81 1uf2J1 LEU 31 HA 0.04 0.10 0.71 -0.75 4.35 4.45 1uf2J1 LEU 31 HB2 0.04 0.04 -0.48 -0.04 1.64 1.20 1uf2J1 LEU 31 HB3 0.13 -0.07 -0.19 -0.04 1.64 1.47 1uf2J1 LEU 31 HG 0.08 -0.04 -0.32 -0.04 1.64 1.32 1uf2J1 LEU 31 HD13 0.01 0.01 -0.03 -0.04 0.93 0.88 1uf2J1 LEU 31 HD23 0.07 -0.01 -0.10 -0.04 0.89 0.81 1uf2J1 THR 32 H 0.06 0.20 0.02 -0.55 8.28 8.01 1uf2J1 THR 32 HA 0.10 0.22 1.04 -0.75 4.39 5.01 1uf2J1 THR 32 HB 0.07 -0.03 0.15 -0.04 4.32 4.47 1uf2J1 THR 32 HG23 0.15 0.01 -0.09 -0.04 1.22 1.25 1uf2J1 THR 33 H 0.11 0.23 0.07 -0.55 8.28 8.14 1uf2J1 THR 33 HA 0.08 0.09 0.46 -0.75 4.39 4.26 1uf2J1 THR 33 HB 0.10 0.12 0.15 -0.04 4.32 4.65 1uf2J1 THR 33 HG23 0.12 0.04 0.20 -0.04 1.22 1.53 1uf2J1 GLY 34 H 0.06 0.18 0.21 -0.55 8.43 8.33 1uf2J1 GLY 34 HA2 0.06 0.14 0.47 -0.51 4.01 4.18 1uf2J1 GLY 34 HA3 0.06 0.08 0.36 -0.51 4.01 4.00 1uf2J1 ASP 35 H 0.08 0.08 -0.13 -0.55 8.40 7.89 1uf2J1 ASP 35 HA 0.20 0.10 0.42 -0.75 4.63 4.60 1uf2J1 ASP 35 HB2 0.07 0.00 0.04 -0.04 2.71 2.78 1uf2J1 ASP 35 HB3 -0.00 0.10 -0.04 -0.04 2.70 2.72 1uf2J1 PHE 36 H 0.23 0.08 -0.17 -0.55 8.34 7.92 1uf2J1 PHE 36 HA 0.01 0.10 0.39 -0.75 4.62 4.36 1uf2J1 PHE 36 HB2 0.02 0.04 0.15 -0.04 3.15 3.31 1uf2J1 PHE 36 HB3 0.02 0.06 0.08 -0.04 3.06 3.18 1uf2J1 PHE 36 HD2 0.02 0.00 -0.01 -0.04 7.28 7.25 1uf2J1 PHE 36 HE2 0.06 0.02 -0.02 -0.04 7.38 7.40 1uf2J1 PHE 36 HZ 0.06 0.02 -0.01 -0.04 7.32 7.35 1uf2J1 ASN 37 H 0.11 0.38 -0.33 -0.55 8.53 8.14 1uf2J1 ASN 37 HA -0.13 0.02 0.36 -0.75 4.76 4.26 1uf2J1 ASN 37 HB2 0.05 0.11 0.07 -0.04 2.88 3.07 1uf2J1 ASN 37 HB3 0.01 0.11 0.08 -0.04 2.79 2.95 1uf2J1 ASN 37 HD21 0.00 -0.01 -0.00 -0.04 7.03 6.98 1uf2J1 ASN 37 HD22 0.04 0.00 -0.01 -0.04 7.74 7.73 1uf2J1 ALA 38 H 0.02 0.42 -0.23 -0.55 8.40 8.06 1uf2J1 ALA 38 HA -0.13 0.01 0.43 -0.75 4.34 3.90 1uf2J1 ALA 38 HB3 -0.08 0.02 0.12 -0.04 1.41 1.43 1uf2J1 LEU 39 H -0.05 0.68 0.03 -0.55 8.37 8.49 1uf2J1 LEU 39 HA -0.37 -0.00 0.34 -0.75 4.35 3.56 1uf2J1 LEU 39 HB2 -0.02 0.01 0.05 -0.04 1.64 1.64 1uf2J1 LEU 39 HB3 -0.25 0.09 0.18 -0.04 1.64 1.62 1uf2J1 LEU 39 HG -1.01 -0.02 -0.24 -0.04 1.64 0.33 1uf2J1 LEU 39 HD13 -0.40 -0.03 -0.01 -0.04 0.93 0.45 1uf2J1 LEU 39 HD23 0.09 0.01 -0.08 -0.04 0.89 0.87 1uf2J1 SER 40 H -0.45 0.71 -0.23 -0.55 8.46 7.94 1uf2J1 SER 40 HA -0.21 -0.02 0.40 -0.75 4.49 3.91 1uf2J1 SER 40 HB2 -0.28 0.15 0.18 -0.04 3.95 3.97 1uf2J1 SER 40 HB3 -0.18 -0.06 0.01 -0.04 3.93 3.66 1uf2J1 ASN 41 H -0.19 0.56 -0.02 -0.55 8.53 8.34 1uf2J1 ASN 41 HA -0.07 -0.03 0.46 -0.75 4.76 4.36 1uf2J1 ASN 41 HB2 -0.13 0.13 0.19 -0.04 2.88 3.03 1uf2J1 ASN 41 HB3 -0.09 -0.05 0.07 -0.04 2.79 2.67 1uf2J1 ASN 41 HD21 -0.05 -0.06 0.01 -0.04 7.03 6.89 1uf2J1 ASN 41 HD22 -0.07 -0.02 0.01 -0.04 7.74 7.62 1uf2J1 MET 42 H -0.26 0.51 -0.39 -0.55 8.47 7.79 1uf2J1 MET 42 HA -0.12 0.05 0.59 -0.75 4.52 4.28 1uf2J1 MET 42 HB2 -0.34 0.14 0.14 -0.04 2.15 2.04 1uf2J1 MET 42 HB3 -0.18 -0.02 -0.01 -0.04 2.03 1.78 1uf2J1 MET 42 HG2 -0.20 -0.01 -0.01 -0.04 2.63 2.37 1uf2J1 MET 42 HG3 -0.27 0.03 -0.10 -0.04 2.56 2.18 1uf2J1 MET 42 HE3 -0.65 0.04 -0.35 -0.04 2.10 1.10 1uf2J1 PHE 43 H -0.19 0.53 0.01 -0.55 8.34 8.13 1uf2J1 PHE 43 HA -0.06 0.00 0.42 -0.75 4.62 4.22 1uf2J1 PHE 43 HB2 -0.09 0.23 0.30 -0.04 3.15 3.55 1uf2J1 PHE 43 HB3 -0.06 -0.06 0.06 -0.04 3.06 2.95 1uf2J1 PHE 43 HD2 -0.09 -0.01 0.03 -0.04 7.28 7.17 1uf2J1 PHE 43 HE2 -0.04 -0.04 -0.03 -0.04 7.38 7.23 1uf2J1 PHE 43 HZ -0.02 -0.03 -0.04 -0.04 7.32 7.19 1uf2J1 THR 44 H 0.06 0.46 -0.11 -0.55 8.28 8.14 1uf2J1 THR 44 HA 0.03 -0.01 0.43 -0.75 4.39 4.09 1uf2J1 THR 44 HB -0.02 0.10 0.15 -0.04 4.32 4.51 1uf2J1 THR 44 HG23 -0.01 -0.01 -0.10 -0.04 1.22 1.06 1uf2J1 GLN 45 H -0.02 0.50 -0.14 -0.55 8.47 8.26 1uf2J1 GLN 45 HA -0.03 -0.03 0.31 -0.75 4.36 3.85 1uf2J1 GLN 45 HB2 -0.05 0.10 0.23 -0.04 2.15 2.39 1uf2J1 GLN 45 HB3 -0.04 -0.02 0.06 -0.04 2.02 1.98 1uf2J1 GLN 45 HG2 -0.05 -0.05 0.08 -0.04 2.40 2.34 1uf2J1 GLN 45 HG3 -0.06 -0.07 0.05 -0.04 2.39 2.27 1uf2J1 GLN 45 HE21 -0.04 -0.02 0.02 -0.04 6.97 6.89 1uf2J1 GLN 45 HE22 -0.04 -0.04 0.01 -0.04 7.69 7.57 1uf2J1 LEU 46 H 0.04 0.20 -1.00 -0.55 8.37 7.06 1uf2J1 LEU 46 HA 0.04 0.12 0.74 -0.75 4.35 4.49 1uf2J1 LEU 46 HB2 0.07 0.02 0.05 -0.04 1.64 1.74 1uf2J1 LEU 46 HB3 0.10 0.08 0.19 -0.04 1.64 1.97 1uf2J1 LEU 46 HG 0.22 -0.01 -0.23 -0.04 1.64 1.58 1uf2J1 LEU 46 HD13 0.09 0.00 0.02 -0.04 0.93 1.00 1uf2J1 LEU 46 HD23 0.06 -0.04 -0.04 -0.04 0.89 0.84 1uf2J1 SER 47 H 0.05 0.34 0.11 -0.55 8.46 8.41 1uf2J1 SER 47 HA -0.03 0.24 0.68 -0.75 4.49 4.62 1uf2J1 SER 47 HB2 0.02 -0.06 0.08 -0.04 3.95 3.95 1uf2J1 SER 47 HB3 0.11 -0.03 -0.03 -0.04 3.93 3.93 1uf2J1 ASP 56 HA -0.01 -0.01 0.23 -0.75 4.63 4.09 1uf2J1 ASP 56 HB2 -0.01 0.03 0.09 -0.04 2.71 2.78 1uf2J1 ASP 56 HB3 -0.03 -0.01 0.05 -0.04 2.70 2.66 1uf2J1 PRO 57 HA -0.28 0.21 0.77 -0.51 4.44 4.62 1uf2J1 PRO 57 HB2 -1.21 0.03 0.10 -0.04 2.28 1.15 1uf2J1 PRO 57 HB3 -0.32 0.09 -0.01 -0.04 2.02 1.74 1uf2J1 PRO 57 HG2 -0.19 0.03 -0.11 -0.04 2.03 1.71 1uf2J1 PRO 57 HG3 0.01 0.05 -0.00 -0.04 2.03 2.05 1uf2J1 PRO 57 HD2 -0.06 0.02 0.22 -0.04 3.68 3.82 1uf2J1 PRO 57 HD3 -0.01 0.19 0.09 -0.04 3.65 3.88 1uf2J1 ARG 58 H -0.12 0.14 0.14 -0.55 8.46 8.06 1uf2J1 ARG 58 HA -0.19 0.14 0.57 -0.75 4.34 4.10 1uf2J1 ARG 58 HB2 -0.06 0.01 0.12 -0.04 1.90 1.93 1uf2J1 ARG 58 HB3 -0.05 -0.02 0.10 -0.04 1.80 1.79 1uf2J1 ARG 58 HG2 -0.01 0.02 -0.09 -0.04 1.67 1.55 1uf2J1 ARG 58 HG3 -0.02 0.03 0.05 -0.04 1.67 1.68 1uf2J1 ARG 58 HD2 0.01 0.03 -0.02 -0.04 3.22 3.20 1uf2J1 ARG 58 HD3 0.01 0.01 0.01 -0.04 3.22 3.20 1uf2J1 VAL 59 H -0.08 0.06 -0.14 -0.55 8.24 7.54 1uf2J1 VAL 59 HA -0.02 0.07 0.34 -0.75 4.13 3.77 1uf2J1 VAL 59 HB -0.04 0.10 -0.04 -0.04 2.12 2.11 1uf2J1 VAL 59 HG13 0.00 -0.00 -0.07 -0.04 0.97 0.86 1uf2J1 VAL 59 HG23 -0.03 -0.01 0.01 -0.04 0.95 0.88 1uf2J1 PRO 60 HA 0.02 0.04 0.40 -0.51 4.44 4.39 1uf2J1 PRO 60 HB2 -0.13 0.08 0.00 -0.04 2.28 2.20 1uf2J1 PRO 60 HB3 -0.01 0.08 0.01 -0.04 2.02 2.05 1uf2J1 PRO 60 HG2 -0.11 0.13 -0.21 -0.04 2.03 1.81 1uf2J1 PRO 60 HG3 -0.04 0.04 -0.15 -0.04 2.03 1.84 1uf2J1 PRO 60 HD2 -0.17 0.14 -0.55 -0.04 3.68 3.06 1uf2J1 PRO 60 HD3 -0.08 0.03 -0.13 -0.04 3.65 3.43 1uf2J1 LEU 61 H -0.20 0.35 -0.19 -0.55 8.37 7.77 1uf2J1 LEU 61 HA -0.12 0.04 0.34 -0.75 4.35 3.85 1uf2J1 LEU 61 HB2 -0.39 0.09 0.16 -0.04 1.64 1.46 1uf2J1 LEU 61 HB3 -0.74 -0.02 -0.04 -0.04 1.64 0.80 1uf2J1 LEU 61 HG -0.92 -0.04 0.03 -0.04 1.64 0.67 1uf2J1 LEU 61 HD13 -0.28 -0.01 0.03 -0.04 0.93 0.63 1uf2J1 LEU 61 HD23 -0.42 0.08 0.09 -0.04 0.89 0.61 1uf2J1 GLN 62 H -0.04 0.33 -0.51 -0.55 8.47 7.71 1uf2J1 GLN 62 HA 0.16 0.21 0.43 -0.75 4.36 4.41 1uf2J1 GLN 62 HB2 0.05 0.04 0.14 -0.04 2.15 2.35 1uf2J1 GLN 62 HB3 0.03 0.25 0.26 -0.04 2.02 2.52 1uf2J1 GLN 62 HG2 0.07 -0.08 -0.14 -0.04 2.40 2.20 1uf2J1 GLN 62 HG3 0.09 -0.04 0.04 -0.04 2.39 2.43 1uf2J1 GLN 62 HE21 0.01 -0.06 0.00 -0.04 6.97 6.89 1uf2J1 GLN 62 HE22 0.02 0.03 0.05 -0.04 7.69 7.74 1uf2J1 THR 63 H 0.06 0.56 0.11 -0.55 8.28 8.46 1uf2J1 THR 63 HA 0.11 -0.08 0.36 -0.75 4.39 4.03 1uf2J1 THR 63 HB 0.13 0.13 0.12 -0.04 4.32 4.65 1uf2J1 THR 63 HG23 0.15 -0.02 -0.03 -0.04 1.22 1.28 1uf2J1 MET 64 H 0.07 0.61 -0.39 -0.55 8.47 8.21 1uf2J1 MET 64 HA -0.11 -0.04 0.34 -0.75 4.52 3.95 1uf2J1 MET 64 HB2 -0.14 0.01 0.01 -0.04 2.15 1.99 1uf2J1 MET 64 HB3 -0.02 0.18 0.09 -0.04 2.03 2.24 1uf2J1 MET 64 HG2 -1.04 -0.08 -0.02 -0.04 2.63 1.45 1uf2J1 MET 64 HG3 -0.49 0.03 -0.06 -0.04 2.56 2.00 1uf2J1 MET 64 HE3 -0.02 -0.00 -0.02 -0.04 2.10 2.02 1uf2J1 SER 65 H 0.17 0.53 -0.03 -0.55 8.46 8.58 1uf2J1 SER 65 HA 0.23 0.22 0.51 -0.75 4.49 4.70 1uf2J1 SER 65 HB2 0.29 0.13 -0.13 -0.04 3.95 4.19 1uf2J1 SER 65 HB3 0.32 -0.07 -0.03 -0.04 3.93 4.11 1uf2J1 ASN 66 H 0.24 0.68 -0.11 -0.55 8.53 8.79 1uf2J1 ASN 66 HA 0.43 -0.07 0.35 -0.75 4.76 4.72 1uf2J1 ASN 66 HB2 0.17 0.26 0.22 -0.04 2.88 3.49 1uf2J1 ASN 66 HB3 0.18 -0.08 0.01 -0.04 2.79 2.86 1uf2J1 ASN 66 HD21 0.07 0.07 -0.09 -0.04 7.03 7.03 1uf2J1 ASN 66 HD22 0.10 -0.02 -0.01 -0.04 7.74 7.77 1uf2J1 MET 67 H 0.17 0.68 0.04 -0.55 8.47 8.82 1uf2J1 MET 67 HA 0.10 -0.08 0.32 -0.75 4.52 4.12 1uf2J1 MET 67 HB2 0.31 0.17 0.09 -0.04 2.15 2.68 1uf2J1 MET 67 HB3 0.33 -0.09 0.02 -0.04 2.03 2.25 1uf2J1 MET 67 HG2 0.18 -0.09 0.04 -0.04 2.63 2.71 1uf2J1 MET 67 HG3 0.19 0.07 0.08 -0.04 2.56 2.86 1uf2J1 MET 67 HE3 0.15 -0.02 -0.01 -0.04 2.10 2.18 1uf2J1 PHE 68 H 0.16 0.45 -0.71 -0.55 8.34 7.69 1uf2J1 PHE 68 HA -0.84 -0.04 0.48 -0.75 4.62 3.46 1uf2J1 PHE 68 HB2 0.02 0.05 0.07 -0.04 3.15 3.25 1uf2J1 PHE 68 HB3 0.00 0.25 0.18 -0.04 3.06 3.44 1uf2J1 PHE 68 HD2 -0.13 0.02 -0.12 -0.04 7.28 7.01 1uf2J1 PHE 68 HE2 -0.10 -0.03 -0.05 -0.04 7.38 7.16 1uf2J1 PHE 68 HZ -0.09 0.01 -0.18 -0.04 7.32 7.01 1uf2J1 VAL 69 H 0.03 0.75 0.15 -0.55 8.24 8.63 1uf2J1 VAL 69 HA -0.27 -0.02 0.36 -0.75 4.13 3.45 1uf2J1 VAL 69 HB -0.15 0.05 0.14 -0.04 2.12 2.12 1uf2J1 VAL 69 HG13 -0.15 -0.03 -0.10 -0.04 0.97 0.66 1uf2J1 VAL 69 HG23 -0.74 0.09 0.03 -0.04 0.95 0.29 1uf2J1 SER 70 H -0.02 0.67 -0.14 -0.55 8.46 8.42 1uf2J1 SER 70 HA -0.02 -0.04 0.30 -0.75 4.49 3.97 1uf2J1 SER 70 HB2 0.06 -0.03 0.00 -0.04 3.95 3.94 1uf2J1 SER 70 HB3 0.02 0.17 0.06 -0.04 3.93 4.14 1uf2J1 PHE 71 H -0.14 0.41 -0.46 -0.55 8.34 7.61 1uf2J1 PHE 71 HA -0.15 -0.05 0.54 -0.75 4.62 4.20 1uf2J1 PHE 71 HB2 -0.32 -0.04 0.13 -0.04 3.15 2.87 1uf2J1 PHE 71 HB3 -0.65 0.20 0.30 -0.04 3.06 2.87 1uf2J1 PHE 71 HD2 -0.15 -0.01 -0.01 -0.04 7.28 7.07 1uf2J1 PHE 71 HE2 0.12 0.04 -0.17 -0.04 7.38 7.33 1uf2J1 PHE 71 HZ 0.26 0.03 -0.06 -0.04 7.32 7.51 1uf2J1 ILE 72 H -0.57 0.65 0.14 -0.55 8.25 7.92 1uf2J1 ILE 72 HA -0.80 -0.01 0.29 -0.75 4.18 2.90 1uf2J1 ILE 72 HB -0.87 -0.01 0.07 -0.04 1.89 1.04 1uf2J1 ILE 72 HG12 -0.28 -0.03 -0.03 -0.04 1.49 1.11 1uf2J1 ILE 72 HG13 -0.44 -0.01 0.06 -0.04 1.21 0.77 1uf2J1 ILE 72 HG23 -0.62 0.05 -0.10 -0.04 0.93 0.21 1uf2J1 ILE 72 HD13 -0.41 -0.00 -0.01 -0.04 0.88 0.42 1uf2J1 THR 73 H -0.35 0.19 -1.09 -0.55 8.28 6.49 1uf2J1 THR 73 HA -0.38 0.00 0.49 -0.75 4.39 3.75 1uf2J1 THR 73 HB -0.16 0.20 0.08 -0.04 4.32 4.41 1uf2J1 THR 73 HG23 -0.13 -0.06 -0.17 -0.04 1.22 0.82 1uf2J1 SER 74 H -0.23 0.38 0.09 -0.55 8.46 8.16 1uf2J1 SER 74 HA -0.16 0.06 0.71 -0.75 4.49 4.35 1uf2J1 SER 74 HB2 -0.09 0.07 0.15 -0.04 3.95 4.04 1uf2J1 SER 74 HB3 -0.12 0.07 0.28 -0.04 3.93 4.12 1uf2J1 THR 75 H -0.16 0.21 0.18 -0.55 8.28 7.96 1uf2J1 THR 75 HA -0.22 0.13 0.20 -0.75 4.39 3.75 1uf2J1 THR 75 HB -0.11 -0.04 0.03 -0.04 4.32 4.16 1uf2J1 THR 75 HG23 -0.11 0.01 -0.05 -0.04 1.22 1.04 1uf2J1 ASP 76 H -0.10 0.01 -0.43 -0.55 8.40 7.33 1uf2J1 ASP 76 HA -0.04 0.11 0.47 -0.75 4.63 4.41 1uf2J1 ASP 76 HB2 -0.04 -0.03 0.03 -0.04 2.71 2.63 1uf2J1 ASP 76 HB3 -0.01 0.03 0.00 -0.04 2.70 2.68 1uf2J1 ARG 77 H -0.10 0.27 -0.13 -0.55 8.46 7.94 1uf2J1 ARG 77 HA 0.08 0.05 0.52 -0.75 4.34 4.25 1uf2J1 ARG 77 HB2 -0.27 0.21 0.28 -0.04 1.90 2.08 1uf2J1 ARG 77 HB3 0.24 -0.08 0.06 -0.04 1.80 1.99 1uf2J1 ARG 77 HG2 -0.01 -0.13 0.09 -0.04 1.67 1.57 1uf2J1 ARG 77 HG3 -0.02 0.12 0.17 -0.04 1.67 1.90 1uf2J1 ARG 77 HD2 0.12 -0.02 0.04 -0.04 3.22 3.33 1uf2J1 ARG 77 HD3 0.07 -0.01 0.02 -0.04 3.22 3.27 1uf2J1 CYS 78 H -0.49 0.43 -0.01 -0.55 8.50 7.89 1uf2J1 CYS 78 HA -0.00 0.07 0.44 -0.75 4.58 4.34 1uf2J1 CYS 78 HB2 -0.65 -0.03 0.08 -0.04 2.97 2.33 1uf2J1 CYS 78 HB3 -2.00 -0.02 -0.09 -0.04 2.97 0.82 1uf2J1 GLY 79 H -0.05 0.24 -0.93 -0.55 8.43 7.15 1uf2J1 GLY 79 HA2 -0.13 0.05 0.30 -0.51 4.01 3.72 1uf2J1 GLY 79 HA3 -0.02 0.09 0.26 -0.51 4.01 3.83 1uf2J1 TYR 80 H 0.28 0.19 -0.22 -0.55 8.29 8.00 1uf2J1 TYR 80 HA 0.02 0.02 0.34 -0.75 4.56 4.19 1uf2J1 TYR 80 HB2 0.10 -0.02 0.03 -0.04 3.06 3.14 1uf2J1 TYR 80 HB3 0.06 0.02 0.07 -0.04 2.98 3.10 1uf2J1 TYR 80 HD2 0.19 0.01 -0.10 -0.04 7.15 7.21 1uf2J1 TYR 80 HE2 0.49 0.08 -0.08 -0.04 6.85 7.30 1uf2J1 MET 81 H -0.89 0.26 -0.33 -0.55 8.47 6.96 1uf2J1 MET 81 HA -1.63 0.04 0.34 -0.75 4.52 2.52 1uf2J1 MET 81 HB2 -0.84 0.14 0.01 -0.04 2.15 1.41 1uf2J1 MET 81 HB3 -1.53 -0.02 0.04 -0.04 2.03 0.48 1uf2J1 MET 81 HG2 -1.75 0.07 -0.01 -0.04 2.63 0.89 1uf2J1 MET 81 HG3 -1.49 -0.09 -0.00 -0.04 2.56 0.94 1uf2J1 MET 81 HE3 -1.82 0.01 -0.03 -0.04 2.10 0.22 1uf2J1 LEU 82 H -0.25 0.45 -0.51 -0.55 8.37 7.51 1uf2J1 LEU 82 HA -0.15 0.13 0.64 -0.75 4.35 4.22 1uf2J1 LEU 82 HB2 -0.13 0.12 0.03 -0.04 1.64 1.62 1uf2J1 LEU 82 HB3 -0.14 -0.07 0.03 -0.04 1.64 1.42 1uf2J1 LEU 82 HG -0.32 0.01 -0.14 -0.04 1.64 1.14 1uf2J1 LEU 82 HD13 -0.22 -0.03 -0.09 -0.04 0.93 0.54 1uf2J1 LEU 82 HD23 -0.24 0.02 -0.10 -0.04 0.89 0.52 1uf2J1 ARG 83 H 0.05 0.37 -0.19 -0.55 8.46 8.14 1uf2J1 ARG 83 HA 0.01 0.16 0.62 -0.75 4.34 4.37 1uf2J1 ARG 83 HB2 0.17 0.06 0.18 -0.04 1.90 2.26 1uf2J1 ARG 83 HB3 0.07 -0.12 0.09 -0.04 1.80 1.80 1uf2J1 ARG 83 HG2 0.02 0.06 -0.03 -0.04 1.67 1.68 1uf2J1 ARG 83 HG3 0.09 0.02 0.05 -0.04 1.67 1.79 1uf2J1 ARG 83 HD2 0.07 -0.05 0.03 -0.04 3.22 3.23 1uf2J1 ARG 83 HD3 0.03 0.02 0.03 -0.04 3.22 3.26 1uf2J1 LYS 84 H -0.16 0.29 0.18 -0.55 8.42 8.17 1uf2J1 LYS 84 HA -0.19 0.11 0.30 -0.75 4.32 3.79 1uf2J1 LYS 84 HB2 -0.89 0.19 0.16 -0.04 1.87 1.29 1uf2J1 LYS 84 HB3 -0.21 -0.06 0.14 -0.04 1.79 1.62 1uf2J1 LYS 84 HG2 -0.03 -0.07 -0.18 -0.04 1.46 1.14 1uf2J1 LYS 84 HG3 -0.20 0.02 0.08 -0.04 1.46 1.32 1uf2J1 LYS 84 HD2 -0.07 -0.06 -0.01 -0.04 1.69 1.51 1uf2J1 LYS 84 HD3 -0.02 -0.04 0.01 -0.04 1.68 1.59 1uf2J1 LYS 84 HE2 -0.13 0.02 0.11 -0.04 2.99 2.94 1uf2J1 LYS 84 HE3 -0.33 0.18 0.16 -0.04 2.99 2.96 1uf2J1 THR 85 H 0.10 -0.01 -0.66 -0.55 8.28 7.16 1uf2J1 THR 85 HA 0.10 0.11 0.55 -0.75 4.39 4.41 1uf2J1 THR 85 HB 0.07 -0.00 0.02 -0.04 4.32 4.37 1uf2J1 THR 85 HG23 0.17 0.00 -0.05 -0.04 1.22 1.30 1uf2J1 TRP 86 H 0.41 0.45 -0.03 -0.55 7.97 8.25 1uf2J1 TRP 86 HA 0.12 0.03 0.40 -0.75 4.62 4.42 1uf2J1 TRP 86 HB2 0.12 0.07 0.11 -0.04 3.23 3.48 1uf2J1 TRP 86 HB3 0.12 0.19 0.04 -0.04 3.23 3.55 1uf2J1 TRP 86 HD1 0.32 -0.05 -0.11 -0.04 7.22 7.34 1uf2J1 TRP 86 HE1 0.38 0.46 -0.12 -0.04 10.20 10.89 1uf2J1 TRP 86 HE3 -0.08 0.09 -0.20 -0.04 7.59 7.35 1uf2J1 TRP 86 HZ2 -0.16 -0.00 0.02 -0.04 7.44 7.26 1uf2J1 TRP 86 HZ3 0.00 -0.00 -0.06 -0.04 7.13 7.03 1uf2J1 TRP 86 HH2 -0.10 -0.07 -0.05 -0.04 7.19 6.94 1uf2J1 PHE 87 H 0.39 0.22 -0.34 -0.55 8.34 8.05 1uf2J1 PHE 87 HA -0.40 0.06 0.58 -0.75 4.62 4.11 1uf2J1 PHE 87 HB2 -0.56 0.02 -0.01 -0.04 3.15 2.55 1uf2J1 PHE 87 HB3 0.06 0.08 -0.01 -0.04 3.06 3.15 1uf2J1 PHE 87 HD2 -0.03 -0.01 -0.11 -0.04 7.28 7.08 1uf2J1 PHE 87 HE2 0.04 -0.02 -0.07 -0.04 7.38 7.28 1uf2J1 PHE 87 HZ 0.01 0.19 -0.02 -0.04 7.32 7.46 1uf2J1 ASN 88 H 0.13 0.12 -0.26 -0.55 8.53 7.97 1uf2J1 ASN 88 HA -0.04 0.16 0.61 -0.75 4.76 4.73 1uf2J1 ASN 88 HB2 0.09 0.05 0.22 -0.04 2.88 3.19 1uf2J1 ASN 88 HB3 0.04 -0.09 -0.01 -0.04 2.79 2.68 1uf2J1 ASN 88 HD21 0.19 -0.08 0.03 -0.04 7.03 7.12 1uf2J1 ASN 88 HD22 0.14 0.39 0.09 -0.04 7.74 8.31 1uf2J1 SER 89 H -0.07 0.43 -0.04 -0.55 8.46 8.24 1uf2J1 SER 89 HA -0.09 0.21 0.85 -0.75 4.49 4.70 1uf2J1 SER 89 HB2 -0.01 0.09 -0.15 -0.04 3.95 3.84 1uf2J1 SER 89 HB3 -0.00 0.04 0.01 -0.04 3.93 3.93 1uf2J1 ASP 90 H -0.06 0.19 0.08 -0.55 8.40 8.06 1uf2J1 ASP 90 HA -0.10 0.05 0.59 -0.75 4.63 4.42 1uf2J1 ASP 90 HB2 -0.04 0.03 0.13 -0.04 2.71 2.79 1uf2J1 ASP 90 HB3 -0.04 -0.05 0.21 -0.04 2.70 2.79 1uf2J1 THR 91 H -0.01 0.24 -0.68 -0.55 8.28 7.28 1uf2J1 THR 91 HA 0.02 0.08 0.71 -0.75 4.39 4.44 1uf2J1 THR 91 HB 0.04 0.03 -0.00 -0.04 4.32 4.35 1uf2J1 THR 91 HG23 0.04 0.03 -0.23 -0.04 1.22 1.01 1uf2J1 LYS 92 H 0.03 0.11 0.16 -0.55 8.42 8.18 1uf2J1 LYS 92 HA 0.09 -0.01 0.37 -0.75 4.32 4.02 1uf2J1 LYS 92 HB2 0.03 -0.02 0.10 -0.04 1.87 1.94 1uf2J1 LYS 92 HB3 0.04 0.07 0.07 -0.04 1.79 1.93 1uf2J1 LYS 92 HG2 0.03 -0.03 0.08 -0.04 1.46 1.51 1uf2J1 LYS 92 HG3 0.03 -0.01 0.19 -0.04 1.46 1.63 1uf2J1 LYS 92 HD2 0.01 -0.01 0.05 -0.04 1.69 1.71 1uf2J1 LYS 92 HD3 0.01 0.03 0.04 -0.04 1.68 1.72 1uf2J1 LYS 92 HE2 0.01 -0.01 0.04 -0.04 2.99 2.99 1uf2J1 LYS 92 HE3 0.01 0.01 0.07 -0.04 2.99 3.04 1uf2J1 PRO 93 HA 0.07 0.12 0.70 -0.51 4.44 4.82 1uf2J1 PRO 93 HB2 0.03 0.01 -0.11 -0.04 2.28 2.17 1uf2J1 PRO 93 HB3 0.24 0.08 -0.03 -0.04 2.02 2.28 1uf2J1 PRO 93 HG2 0.01 -0.00 -0.07 -0.04 2.03 1.94 1uf2J1 PRO 93 HG3 0.42 0.14 -0.16 -0.04 2.03 2.38 1uf2J1 PRO 93 HD2 0.16 -0.09 0.14 -0.04 3.68 3.85 1uf2J1 PRO 93 HD3 0.23 0.30 0.04 -0.04 3.65 4.19 1uf2J1 THR 94 H 0.02 0.15 0.09 -0.55 8.28 8.00 1uf2J1 THR 94 HA -0.01 0.13 0.67 -0.75 4.39 4.43 1uf2J1 THR 94 HB 0.01 -0.01 0.21 -0.04 4.32 4.49 1uf2J1 THR 94 HG23 0.00 -0.01 -0.09 -0.04 1.22 1.08 1uf2J1 VAL 95 H -0.05 0.37 0.13 -0.55 8.24 8.14 1uf2J1 VAL 95 HA -0.05 0.09 0.65 -0.75 4.13 4.07 1uf2J1 VAL 95 HB -0.16 -0.05 -0.11 -0.04 2.12 1.76 1uf2J1 VAL 95 HG13 -0.28 0.04 -0.07 -0.04 0.97 0.62 1uf2J1 VAL 95 HG23 -0.42 -0.00 -0.25 -0.04 0.95 0.23 1uf2J1 SER 96 H 0.00 0.22 0.04 -0.55 8.46 8.18 1uf2J1 SER 96 HA -0.00 0.21 0.94 -0.75 4.49 4.89 1uf2J1 SER 96 HB2 0.01 0.00 0.05 -0.04 3.95 3.97 1uf2J1 SER 96 HB3 -0.00 0.04 -0.07 -0.04 3.93 3.86 1uf2J1 ASP 97 H 0.03 0.32 -0.01 -0.55 8.40 8.20 1uf2J1 ASP 97 HA 0.10 0.20 0.84 -0.75 4.63 5.02 1uf2J1 ASP 97 HB2 0.19 0.13 -0.02 -0.04 2.71 2.97 1uf2J1 ASP 97 HB3 0.18 -0.05 0.18 -0.04 2.70 2.96 1uf2J1 ASP 98 H 0.08 0.25 0.05 -0.55 8.40 8.23 1uf2J1 ASP 98 HA 0.01 0.07 0.30 -0.75 4.63 4.26 1uf2J1 ASP 98 HB2 0.03 0.07 0.16 -0.04 2.71 2.93 1uf2J1 ASP 98 HB3 0.03 0.02 0.08 -0.04 2.70 2.80 1uf2J1 PHE 99 H 0.17 0.06 -0.96 -0.55 8.34 7.05 1uf2J1 PHE 99 HA 0.10 0.25 0.87 -0.75 4.62 5.10 1uf2J1 PHE 99 HB2 0.04 0.05 -0.00 -0.04 3.15 3.20 1uf2J1 PHE 99 HB3 -0.19 -0.11 0.11 -0.04 3.06 2.83 1uf2J1 PHE 99 HD2 -0.26 -0.03 -0.07 -0.04 7.28 6.88 1uf2J1 PHE 99 HE2 -0.15 0.07 -0.08 -0.04 7.38 7.19 1uf2J1 PHE 99 HZ 0.02 0.04 -0.07 -0.04 7.32 7.27 1uf2J1 ILE 100 H 0.04 0.08 0.17 -0.55 8.25 7.98 1uf2J1 ILE 100 HA -0.45 0.01 0.43 -0.75 4.18 3.41 1uf2J1 ILE 100 HB -0.00 -0.08 0.19 -0.04 1.89 1.97 1uf2J1 ILE 100 HG12 0.31 0.05 0.03 -0.04 1.49 1.83 1uf2J1 ILE 100 HG13 0.07 0.09 0.06 -0.04 1.21 1.38 1uf2J1 ILE 100 HG23 -0.06 0.05 -0.10 -0.04 0.93 0.78 1uf2J1 ILE 100 HD13 -0.07 -0.06 0.05 -0.04 0.88 0.76 1uf2J1 THR 101 H -0.07 0.30 -0.16 -0.55 8.28 7.80 1uf2J1 THR 101 HA -0.10 0.11 0.34 -0.75 4.39 3.99 1uf2J1 THR 101 HB -0.05 -0.10 -0.07 -0.04 4.32 4.05 1uf2J1 THR 101 HG23 -0.06 0.01 -0.11 -0.04 1.22 1.01 1uf2J1 THR 102 H -0.21 0.14 -0.57 -0.55 8.28 7.09 1uf2J1 THR 102 HA -0.28 0.14 0.68 -0.75 4.39 4.18 1uf2J1 THR 102 HB -0.45 0.03 0.09 -0.04 4.32 3.94 1uf2J1 THR 102 HG23 -0.61 -0.01 -0.01 -0.04 1.22 0.56 1uf2J1 TYR 103 H -0.45 0.46 0.06 -0.55 8.29 7.81 1uf2J1 TYR 103 HA -0.21 0.35 1.12 -0.75 4.56 5.06 1uf2J1 TYR 103 HB2 -1.08 -0.07 0.00 -0.04 3.06 1.88 1uf2J1 TYR 103 HB3 -0.26 -0.04 -0.03 -0.04 2.98 2.61 1uf2J1 TYR 103 HD2 -0.24 0.02 -0.01 -0.04 7.15 6.88 1uf2J1 TYR 103 HE2 0.09 -0.04 -0.10 -0.04 6.85 6.75 1uf2J1 ILE 104 H -0.47 0.12 0.15 -0.55 8.25 7.50 1uf2J1 ILE 104 HA -0.29 0.13 0.87 -0.75 4.18 4.13 1uf2J1 ILE 104 HB -0.54 -0.05 0.19 -0.04 1.89 1.45 1uf2J1 ILE 104 HG12 -2.62 -0.01 -0.05 -0.04 1.49 -1.23 1uf2J1 ILE 104 HG13 -1.03 0.03 -0.02 -0.04 1.21 0.14 1uf2J1 ILE 104 HG23 -0.38 0.08 -0.39 -0.04 0.93 0.19 1uf2J1 ILE 104 HD13 -0.98 -0.05 -0.20 -0.04 0.88 -0.40 1uf2J1 ARG 105 H -0.12 0.39 0.28 -0.55 8.46 8.47 1uf2J1 ARG 105 HA -0.06 -0.01 0.45 -0.75 4.34 3.96 1uf2J1 ARG 105 HB2 -0.06 -0.08 0.10 -0.04 1.90 1.82 1uf2J1 ARG 105 HB3 -0.10 0.18 -0.27 -0.04 1.80 1.56 1uf2J1 ARG 105 HG2 -0.08 0.06 -0.23 -0.04 1.67 1.38 1uf2J1 ARG 105 HG3 -0.06 0.09 -0.37 -0.04 1.67 1.30 1uf2J1 ARG 105 HD2 -0.07 0.03 -0.07 -0.04 3.22 3.06 1uf2J1 ARG 105 HD3 -0.06 -0.10 -0.06 -0.04 3.22 2.95 1uf2J1 PRO 106 HA -0.00 -0.07 0.53 -0.51 4.44 4.39 1uf2J1 PRO 106 HB2 -0.02 0.06 0.07 -0.04 2.28 2.35 1uf2J1 PRO 106 HB3 -0.00 -0.04 0.07 -0.04 2.02 2.01 1uf2J1 PRO 106 HG2 -0.01 0.03 0.07 -0.04 2.03 2.08 1uf2J1 PRO 106 HG3 0.00 -0.04 0.03 -0.04 2.03 1.98 1uf2J1 PRO 106 HD2 -0.03 0.14 0.20 -0.04 3.68 3.95 1uf2J1 PRO 106 HD3 -0.02 0.12 0.20 -0.04 3.65 3.91 1uf2J1 ARG 107 H -0.01 -0.13 0.23 -0.55 8.46 7.99 1uf2J1 ARG 107 HA -0.04 0.25 0.88 -0.75 4.34 4.68 1uf2J1 ARG 107 HB2 -0.05 -0.06 -0.07 -0.04 1.90 1.68 1uf2J1 ARG 107 HB3 -0.04 0.10 0.05 -0.04 1.80 1.87 1uf2J1 ARG 107 HG2 -0.03 0.14 -0.41 -0.04 1.67 1.33 1uf2J1 ARG 107 HG3 -0.01 -0.14 -0.37 -0.04 1.67 1.11 1uf2J1 ARG 107 HD2 -0.02 0.02 0.03 -0.04 3.22 3.22 1uf2J1 ARG 107 HD3 -0.03 -0.09 -0.01 -0.04 3.22 3.05 1uf2J1 LEU 108 H -0.02 -0.11 0.15 -0.55 8.37 7.85 1uf2J1 LEU 108 HA -0.05 0.17 0.69 -0.75 4.35 4.41 1uf2J1 LEU 108 HB2 -0.00 -0.04 0.03 -0.04 1.64 1.59 1uf2J1 LEU 108 HB3 -0.02 -0.02 -0.05 -0.04 1.64 1.52 1uf2J1 LEU 108 HG -0.07 0.03 0.01 -0.04 1.64 1.57 1uf2J1 LEU 108 HD13 -0.06 -0.01 -0.06 -0.04 0.93 0.77 1uf2J1 LEU 108 HD23 -0.12 0.02 -0.02 -0.04 0.89 0.73 1uf2J1 GLN 109 H -0.03 0.12 0.13 -0.55 8.47 8.15 1uf2J1 GLN 109 HA -0.02 0.23 0.76 -0.75 4.36 4.58 1uf2J1 GLN 109 HB2 -0.03 0.11 0.03 -0.04 2.15 2.23 1uf2J1 GLN 109 HB3 -0.02 -0.12 0.13 -0.04 2.02 1.97 1uf2J1 GLN 109 HG2 -0.01 -0.07 -0.28 -0.04 2.40 1.99 1uf2J1 GLN 109 HG3 -0.02 0.09 0.00 -0.04 2.39 2.43 1uf2J1 GLN 109 HE21 -0.02 0.00 -0.03 -0.04 6.97 6.89 1uf2J1 GLN 109 HE22 -0.02 0.05 -0.03 -0.04 7.69 7.65 1uf2J1 VAL 110 H -0.01 0.31 0.17 -0.55 8.24 8.16 1uf2J1 VAL 110 HA -0.00 0.02 0.72 -0.75 4.13 4.11 1uf2J1 VAL 110 HB -0.00 0.03 -0.03 -0.04 2.12 2.08 1uf2J1 VAL 110 HG13 -0.01 0.03 0.01 -0.04 0.97 0.97 1uf2J1 VAL 110 HG23 -0.00 0.02 0.00 -0.04 0.95 0.92 1uf2J1 PRO 111 HA -0.00 0.07 0.40 -0.51 4.44 4.39 1uf2J1 PRO 111 HB2 -0.00 0.03 0.03 -0.04 2.28 2.29 1uf2J1 PRO 111 HB3 -0.00 0.09 0.09 -0.04 2.02 2.15 1uf2J1 PRO 111 HG2 -0.01 0.01 0.03 -0.04 2.03 2.02 1uf2J1 PRO 111 HG3 -0.01 0.09 0.07 -0.04 2.03 2.15 1uf2J1 PRO 111 HD2 -0.01 0.11 0.39 -0.04 3.68 4.13 1uf2J1 PRO 111 HD3 -0.01 0.16 0.14 -0.04 3.65 3.90 1uf2J1 MET 112 H -0.01 0.27 -0.16 -0.55 8.47 8.02 1uf2J1 MET 112 HA -0.01 0.03 0.34 -0.75 4.52 4.13 1uf2J1 MET 112 HB2 -0.01 0.05 0.03 -0.04 2.15 2.18 1uf2J1 MET 112 HB3 -0.01 0.02 -0.03 -0.04 2.03 1.97 1uf2J1 MET 112 HG2 -0.01 0.05 -0.06 -0.04 2.63 2.57 1uf2J1 MET 112 HG3 -0.01 -0.00 -0.29 -0.04 2.56 2.22 1uf2J1 MET 112 HE3 -0.01 -0.01 -0.05 -0.04 2.10 1.99 1uf2J1 SER 113 H -0.01 0.63 -0.05 -0.55 8.46 8.49 1uf2J1 SER 113 HA -0.00 0.00 0.38 -0.75 4.49 4.12 1uf2J1 SER 113 HB2 -0.01 -0.08 0.19 -0.04 3.95 4.00 1uf2J1 SER 113 HB3 0.00 0.03 -0.01 -0.04 3.93 3.91 1uf2J1 ASP 114 H 0.01 0.36 -0.19 -0.55 8.40 8.03 1uf2J1 ASP 114 HA 0.02 0.05 0.51 -0.75 4.63 4.46 1uf2J1 ASP 114 HB2 0.01 -0.02 0.14 -0.04 2.71 2.80 1uf2J1 ASP 114 HB3 0.00 0.02 0.03 -0.04 2.70 2.71 1uf2J1 THR 115 H -0.00 0.37 -0.03 -0.55 8.28 8.08 1uf2J1 THR 115 HA -0.01 0.01 0.34 -0.75 4.39 3.97 1uf2J1 THR 115 HB -0.01 0.13 0.14 -0.04 4.32 4.54 1uf2J1 THR 115 HG23 -0.01 -0.01 -0.05 -0.04 1.22 1.11 1uf2J1 VAL 116 H -0.00 0.58 -0.22 -0.55 8.24 8.05 1uf2J1 VAL 116 HA -0.01 0.00 0.37 -0.75 4.13 3.74 1uf2J1 VAL 116 HB 0.01 0.14 0.10 -0.04 2.12 2.33 1uf2J1 VAL 116 HG13 0.00 -0.01 -0.10 -0.04 0.97 0.82 1uf2J1 VAL 116 HG23 -0.00 0.07 -0.02 -0.04 0.95 0.95 1uf2J1 ARG 117 H 0.01 0.42 -0.12 -0.55 8.46 8.23 1uf2J1 ARG 117 HA 0.02 -0.04 0.31 -0.75 4.34 3.88 1uf2J1 ARG 117 HB2 0.06 0.06 0.20 -0.04 1.90 2.18 1uf2J1 ARG 117 HB3 0.01 0.13 0.13 -0.04 1.80 2.04 1uf2J1 ARG 117 HG2 0.00 -0.01 -0.01 -0.04 1.67 1.61 1uf2J1 ARG 117 HG3 0.07 -0.06 0.05 -0.04 1.67 1.69 1uf2J1 ARG 117 HD2 -0.04 -0.02 -0.03 -0.04 3.22 3.09 1uf2J1 ARG 117 HD3 0.02 -0.03 -0.02 -0.04 3.22 3.16 1uf2J1 GLN 118 H -0.01 0.43 -0.37 -0.55 8.47 7.96 1uf2J1 GLN 118 HA -0.05 0.06 0.61 -0.75 4.36 4.22 1uf2J1 GLN 118 HB2 -0.03 0.08 0.09 -0.04 2.15 2.25 1uf2J1 GLN 118 HB3 -0.04 -0.04 0.03 -0.04 2.02 1.93 1uf2J1 GLN 118 HG2 -0.02 -0.03 -0.03 -0.04 2.40 2.27 1uf2J1 GLN 118 HG3 -0.01 0.19 -0.01 -0.04 2.39 2.52 1uf2J1 GLN 118 HE21 -0.01 -0.02 -0.07 -0.04 6.97 6.83 1uf2J1 GLN 118 HE22 -0.01 -0.01 -0.10 -0.04 7.69 7.53 1uf2J1 LEU 119 H -0.03 0.55 0.11 -0.55 8.37 8.45 1uf2J1 LEU 119 HA -0.05 -0.01 0.38 -0.75 4.35 3.92 1uf2J1 LEU 119 HB2 -0.02 0.14 0.22 -0.04 1.64 1.94 1uf2J1 LEU 119 HB3 -0.02 -0.06 0.03 -0.04 1.64 1.54 1uf2J1 LEU 119 HG -0.02 0.14 0.06 -0.04 1.64 1.78 1uf2J1 LEU 119 HD13 -0.01 -0.03 -0.03 -0.04 0.93 0.82 1uf2J1 LEU 119 HD23 -0.02 -0.02 0.02 -0.04 0.89 0.83 1uf2J1 ASN 120 H -0.03 0.43 -0.62 -0.55 8.53 7.75 1uf2J1 ASN 120 HA -0.03 0.01 0.34 -0.75 4.76 4.32 1uf2J1 ASN 120 HB2 -0.01 0.01 -0.02 -0.04 2.88 2.82 1uf2J1 ASN 120 HB3 -0.02 0.25 0.01 -0.04 2.79 2.99 1uf2J1 ASN 120 HD21 0.02 -0.09 -0.00 -0.04 7.03 6.92 1uf2J1 ASN 120 HD22 0.02 0.03 -0.02 -0.04 7.74 7.73 1uf2J1 ASN 121 H -0.11 0.43 -0.14 -0.55 8.53 8.16 1uf2J1 ASN 121 HA -0.12 -0.04 0.50 -0.75 4.76 4.34 1uf2J1 ASN 121 HB2 -0.35 0.12 0.10 -0.04 2.88 2.70 1uf2J1 ASN 121 HB3 -0.51 -0.10 0.08 -0.04 2.79 2.22 1uf2J1 ASN 121 HD21 -0.03 0.02 -0.13 -0.04 7.03 6.85 1uf2J1 ASN 121 HD22 -0.08 -0.04 -0.03 -0.04 7.74 7.55 1uf2J1 LEU 122 H -0.17 0.34 -0.48 -0.55 8.37 7.51 1uf2J1 LEU 122 HA -0.19 0.11 0.70 -0.75 4.35 4.22 1uf2J1 LEU 122 HB2 -0.09 0.13 0.05 -0.04 1.64 1.69 1uf2J1 LEU 122 HB3 -0.07 -0.05 0.11 -0.04 1.64 1.59 1uf2J1 LEU 122 HG -0.19 0.05 -0.04 -0.04 1.64 1.41 1uf2J1 LEU 122 HD13 -0.04 -0.02 -0.01 -0.04 0.93 0.82 1uf2J1 LEU 122 HD23 -0.30 -0.00 -0.12 -0.04 0.89 0.43 1uf2J1 SER 123 H -0.07 0.38 -0.39 -0.55 8.46 7.83 1uf2J1 SER 123 HA -0.02 -0.03 0.40 -0.75 4.49 4.08 1uf2J1 SER 123 HB2 -0.02 0.17 0.07 -0.04 3.95 4.13 1uf2J1 SER 123 HB3 -0.01 -0.12 -0.11 -0.04 3.93 3.65 1uf2J1 LEU 124 H -0.01 0.05 0.13 -0.55 8.37 7.99 1uf2J1 LEU 124 HA 0.00 0.11 0.38 -0.75 4.35 4.09 1uf2J1 LEU 124 HB2 -0.00 -0.09 0.14 -0.04 1.64 1.65 1uf2J1 LEU 124 HB3 -0.00 0.02 -0.01 -0.04 1.64 1.61 1uf2J1 LEU 124 HG -0.00 -0.00 0.10 -0.04 1.64 1.69 1uf2J1 LEU 124 HD13 -0.00 -0.01 0.02 -0.04 0.93 0.90 1uf2J1 LEU 124 HD23 0.00 0.02 0.02 -0.04 0.89 0.89 1uf2J1 GLN 125 H 0.00 0.01 -0.15 -0.55 8.47 7.78 1uf2J1 GLN 125 HA 0.01 0.34 0.95 -0.75 4.36 4.90 1uf2J1 GLN 125 HB2 0.01 -0.09 0.14 -0.04 2.15 2.16 1uf2J1 GLN 125 HB3 0.01 0.05 0.06 -0.04 2.02 2.11 1uf2J1 GLN 125 HG2 0.00 0.10 -0.10 -0.04 2.40 2.37 1uf2J1 GLN 125 HG3 0.00 -0.13 -0.37 -0.04 2.39 1.86 1uf2J1 GLN 125 HE21 0.00 -0.04 -0.01 -0.04 6.97 6.88 1uf2J1 GLN 125 HE22 0.00 0.06 -0.01 -0.04 7.69 7.70 1uf2J1 PRO 126 HA 0.02 -0.01 0.34 -0.51 4.44 4.27 1uf2J1 PRO 126 HB2 0.03 0.01 -0.01 -0.04 2.28 2.28 1uf2J1 PRO 126 HB3 0.01 0.06 -0.00 -0.04 2.02 2.05 1uf2J1 PRO 126 HG2 0.03 0.10 -0.35 -0.04 2.03 1.77 1uf2J1 PRO 126 HG3 0.03 -0.10 -0.37 -0.04 2.03 1.56 1uf2J1 PRO 126 HD2 0.02 0.23 -0.04 -0.04 3.68 3.85 1uf2J1 PRO 126 HD3 0.01 0.35 -0.37 -0.04 3.65 3.61 1uf2J1 SER 127 H 0.04 0.04 0.08 -0.55 8.46 8.07 1uf2J1 SER 127 HA 0.04 0.08 0.39 -0.75 4.49 4.24 1uf2J1 SER 127 HB2 0.05 0.00 0.05 -0.04 3.95 4.01 1uf2J1 SER 127 HB3 0.06 -0.03 -0.01 -0.04 3.93 3.91 1uf2J1 ALA 128 H 0.04 0.09 0.14 -0.55 8.40 8.13 1uf2J1 ALA 128 HA 0.05 0.17 0.45 -0.75 4.34 4.26 1uf2J1 ALA 128 HB3 0.04 -0.01 0.09 -0.04 1.41 1.49 1uf2J1 LYS 129 H 0.06 0.00 -0.23 -0.55 8.42 7.70 1uf2J1 LYS 129 HA 0.11 0.23 0.74 -0.75 4.32 4.65 1uf2J1 LYS 129 HB2 0.05 -0.07 0.11 -0.04 1.87 1.92 1uf2J1 LYS 129 HB3 0.08 0.03 0.06 -0.04 1.79 1.92 1uf2J1 LYS 129 HG2 0.08 0.17 -0.04 -0.04 1.46 1.62 1uf2J1 LYS 129 HG3 0.05 -0.07 -0.27 -0.04 1.46 1.12 1uf2J1 LYS 129 HD2 0.02 -0.03 -0.03 -0.04 1.69 1.61 1uf2J1 LYS 129 HD3 0.03 -0.00 -0.01 -0.04 1.68 1.66 1uf2J1 LYS 129 HE2 0.05 0.02 -0.04 -0.04 2.99 2.98 1uf2J1 LYS 129 HE3 0.03 -0.04 -0.02 -0.04 2.99 2.92 1uf2J1 PRO 130 HA 0.12 -0.04 0.36 -0.51 4.44 4.36 1uf2J1 PRO 130 HB2 0.11 0.00 0.01 -0.04 2.28 2.35 1uf2J1 PRO 130 HB3 0.09 0.04 0.06 -0.04 2.02 2.17 1uf2J1 PRO 130 HG2 0.17 0.02 -0.10 -0.04 2.03 2.08 1uf2J1 PRO 130 HG3 0.12 0.07 -0.04 -0.04 2.03 2.14 1uf2J1 PRO 130 HD2 0.14 0.12 0.07 -0.04 3.68 3.98 1uf2J1 PRO 130 HD3 0.10 0.33 -0.18 -0.04 3.65 3.86 1uf2J1 LYS 131 H 0.15 0.03 0.14 -0.55 8.42 8.18 1uf2J1 LYS 131 HA 0.29 0.21 0.49 -0.75 4.32 4.55 1uf2J1 LYS 131 HB2 0.19 -0.12 0.06 -0.04 1.87 1.95 1uf2J1 LYS 131 HB3 0.17 -0.07 0.15 -0.04 1.79 2.00 1uf2J1 LYS 131 HG2 0.14 0.11 0.05 -0.04 1.46 1.72 1uf2J1 LYS 131 HG3 0.13 -0.01 0.08 -0.04 1.46 1.62 1uf2J1 LYS 131 HD2 0.09 -0.05 0.01 -0.04 1.69 1.69 1uf2J1 LYS 131 HD3 0.09 0.01 -0.02 -0.04 1.68 1.72 1uf2J1 LYS 131 HE2 0.09 0.05 -0.00 -0.04 2.99 3.09 1uf2J1 LYS 131 HE3 0.08 -0.02 0.00 -0.04 2.99 3.01 1uf2J1 LEU 132 H 0.10 0.20 0.14 -0.55 8.37 8.26 1uf2J1 LEU 132 HA -0.07 0.16 0.36 -0.75 4.35 4.06 1uf2J1 LEU 132 HB2 -0.01 -0.03 0.10 -0.04 1.64 1.66 1uf2J1 LEU 132 HB3 0.01 0.02 -0.06 -0.04 1.64 1.57 1uf2J1 LEU 132 HG -1.19 0.02 0.04 -0.04 1.64 0.48 1uf2J1 LEU 132 HD13 -0.22 0.00 -0.04 -0.04 0.93 0.63 1uf2J1 LEU 132 HD23 -0.66 0.01 -0.02 -0.04 0.89 0.18 1uf2J1 TYR 133 H 0.22 0.08 -0.18 -0.55 8.29 7.85 1uf2J1 TYR 133 HA 0.07 0.07 0.29 -0.75 4.56 4.24 1uf2J1 TYR 133 HB2 0.05 0.03 0.06 -0.04 3.06 3.16 1uf2J1 TYR 133 HB3 0.04 -0.07 0.03 -0.04 2.98 2.94 1uf2J1 TYR 133 HD2 0.04 -0.01 -0.05 -0.04 7.15 7.10 1uf2J1 TYR 133 HE2 0.02 0.01 -0.12 -0.04 6.85 6.72 1uf2J1 GLU 134 H 0.13 0.10 -0.25 -0.55 8.60 8.03 1uf2J1 GLU 134 HA -0.24 0.02 0.29 -0.75 4.29 3.61 1uf2J1 GLU 134 HB2 0.04 -0.06 0.08 -0.04 2.09 2.11 1uf2J1 GLU 134 HB3 0.02 0.13 0.01 -0.04 1.99 2.11 1uf2J1 GLU 134 HG2 -0.14 0.04 -0.30 -0.04 2.34 1.90 1uf2J1 GLU 134 HG3 -0.08 0.03 0.04 -0.04 2.34 2.29 1uf2J1 ARG 135 H -0.04 0.31 -0.39 -0.55 8.46 7.78 1uf2J1 ARG 135 HA -0.56 0.04 0.44 -0.75 4.34 3.50 1uf2J1 ARG 135 HB2 0.16 0.08 0.16 -0.04 1.90 2.25 1uf2J1 ARG 135 HB3 -0.25 -0.02 0.01 -0.04 1.80 1.50 1uf2J1 ARG 135 HG2 0.02 -0.05 -0.07 -0.04 1.67 1.53 1uf2J1 ARG 135 HG3 0.10 0.10 -0.04 -0.04 1.67 1.78 1uf2J1 ARG 135 HD2 0.37 0.04 -0.00 -0.04 3.22 3.58 1uf2J1 ARG 135 HD3 0.32 -0.06 -0.02 -0.04 3.22 3.42 1uf2J1 GLN 136 H 0.01 0.61 0.04 -0.55 8.47 8.58 1uf2J1 GLN 136 HA -0.00 0.03 0.35 -0.75 4.36 3.98 1uf2J1 GLN 136 HB2 -0.02 0.06 0.14 -0.04 2.15 2.28 1uf2J1 GLN 136 HB3 0.14 -0.02 0.01 -0.04 2.02 2.11 1uf2J1 GLN 136 HG2 0.57 0.00 -0.03 -0.04 2.40 2.90 1uf2J1 GLN 136 HG3 0.26 0.25 -0.18 -0.04 2.39 2.69 1uf2J1 GLN 136 HE21 0.27 -0.01 -0.10 -0.04 6.97 7.09 1uf2J1 GLN 136 HE22 0.27 0.06 -0.06 -0.04 7.69 7.92 1uf2J1 ASN 137 H -0.33 0.57 -0.17 -0.55 8.53 8.05 1uf2J1 ASN 137 HA -0.23 -0.06 0.32 -0.75 4.76 4.05 1uf2J1 ASN 137 HB2 -0.37 0.16 0.05 -0.04 2.88 2.68 1uf2J1 ASN 137 HB3 -0.25 -0.05 -0.10 -0.04 2.79 2.35 1uf2J1 ASN 137 HD21 -1.57 -0.07 -0.12 -0.04 7.03 5.23 1uf2J1 ASN 137 HD22 -0.88 0.02 -0.18 -0.04 7.74 6.66 1uf2J1 ALA 138 H -0.39 0.48 -0.16 -0.55 8.40 7.79 1uf2J1 ALA 138 HA -0.24 -0.07 0.35 -0.75 4.34 3.63 1uf2J1 ALA 138 HB3 -0.74 0.02 0.03 -0.04 1.41 0.68 1uf2J1 ILE 139 H -0.46 0.62 -0.07 -0.55 8.25 7.79 1uf2J1 ILE 139 HA -0.14 0.24 0.42 -0.75 4.18 3.95 1uf2J1 ILE 139 HB -0.35 -0.01 0.12 -0.04 1.89 1.62 1uf2J1 ILE 139 HG12 -0.53 0.08 0.10 -0.04 1.49 1.09 1uf2J1 ILE 139 HG13 -0.70 0.04 0.07 -0.04 1.21 0.59 1uf2J1 ILE 139 HG23 -0.04 0.02 -0.06 -0.04 0.93 0.81 1uf2J1 ILE 139 HD13 -1.72 -0.06 -0.08 -0.04 0.88 -1.01 1uf2J1 MET 140 H -0.15 0.68 0.01 -0.55 8.47 8.47 1uf2J1 MET 140 HA -0.15 0.17 0.70 -0.75 4.52 4.49 1uf2J1 MET 140 HB2 -0.03 -0.05 0.07 -0.04 2.15 2.10 1uf2J1 MET 140 HB3 -0.19 -0.14 0.11 -0.04 2.03 1.77 1uf2J1 MET 140 HG2 -0.54 0.01 -0.22 -0.04 2.63 1.85 1uf2J1 MET 140 HG3 -1.12 0.08 0.02 -0.04 2.56 1.50 1uf2J1 MET 140 HE3 0.10 0.00 -0.02 -0.04 2.10 2.14 1uf2J1 LYS 141 H -0.19 0.21 0.16 -0.55 8.42 8.04 1uf2J1 LYS 141 HA -0.19 0.18 0.64 -0.75 4.32 4.19 1uf2J1 LYS 141 HB2 -0.14 -0.04 -0.00 -0.04 1.87 1.65 1uf2J1 LYS 141 HB3 -0.12 -0.04 0.06 -0.04 1.79 1.65 1uf2J1 LYS 141 HG2 -0.19 0.05 -0.07 -0.04 1.46 1.21 1uf2J1 LYS 141 HG3 -0.19 -0.03 -0.02 -0.04 1.46 1.18 1uf2J1 LYS 141 HD2 -0.11 -0.07 -0.06 -0.04 1.69 1.42 1uf2J1 LYS 141 HD3 -0.11 -0.03 -0.04 -0.04 1.68 1.47 1uf2J1 LYS 141 HE2 -0.08 0.04 -0.03 -0.04 2.99 2.88 1uf2J1 LYS 141 HE3 -0.10 0.02 -0.04 -0.04 2.99 2.83 1uf2J1 GLY 142 H -0.13 0.32 -0.32 -0.55 8.43 7.75 1uf2J1 GLY 142 HA2 -0.07 0.33 0.33 -0.51 4.01 4.09 1uf2J1 GLY 142 HA3 -0.05 -0.01 0.41 -0.51 4.01 3.85 1uf2J1 LEU 143 H -0.14 0.15 -0.22 -0.55 8.37 7.62 1uf2J1 LEU 143 HA -0.06 0.12 0.49 -0.75 4.35 4.15 1uf2J1 LEU 143 HB2 -0.15 -0.07 -0.27 -0.04 1.64 1.11 1uf2J1 LEU 143 HB3 -0.10 0.09 -0.03 -0.04 1.64 1.57 1uf2J1 LEU 143 HG -0.10 -0.05 -0.07 -0.04 1.64 1.38 1uf2J1 LEU 143 HD13 -0.05 0.01 -0.04 -0.04 0.93 0.81 1uf2J1 LEU 143 HD23 -0.11 0.01 -0.23 -0.04 0.89 0.51 1uf2J1 ASP 144 H -0.03 0.07 0.09 -0.55 8.40 7.98 1uf2J1 ASP 144 HA 0.02 0.10 0.61 -0.75 4.63 4.60 1uf2J1 ASP 144 HB2 0.04 -0.03 0.10 -0.04 2.71 2.77 1uf2J1 ASP 144 HB3 0.08 0.07 -0.09 -0.04 2.70 2.73 1uf2J1 ILE 145 H 0.07 0.14 0.15 -0.55 8.25 8.06 1uf2J1 ILE 145 HA -0.01 0.14 0.71 -0.75 4.18 4.27 1uf2J1 ILE 145 HB 0.02 -0.01 -0.05 -0.04 1.89 1.81 1uf2J1 ILE 145 HG12 0.06 0.09 0.00 -0.04 1.49 1.60 1uf2J1 ILE 145 HG13 -0.01 -0.04 0.01 -0.04 1.21 1.13 1uf2J1 ILE 145 HG23 0.12 0.03 -0.13 -0.04 0.93 0.90 1uf2J1 ILE 145 HD13 0.17 -0.00 -0.08 -0.04 0.88 0.92 1uf2J1 PRO 146 HA -0.02 -0.03 0.53 -0.51 4.44 4.41 1uf2J1 PRO 146 HB2 0.05 -0.03 0.07 -0.04 2.28 2.33 1uf2J1 PRO 146 HB3 0.00 0.16 0.10 -0.04 2.02 2.24 1uf2J1 PRO 146 HG2 0.02 -0.01 0.05 -0.04 2.03 2.05 1uf2J1 PRO 146 HG3 -0.00 0.05 -0.02 -0.04 2.03 2.01 1uf2J1 PRO 146 HD2 0.04 0.12 0.15 -0.04 3.68 3.95 1uf2J1 PRO 146 HD3 0.01 0.13 0.20 -0.04 3.65 3.95 1uf2J1 TYR 147 H 0.00 0.40 0.35 -0.55 8.29 8.49 1uf2J1 TYR 147 HA 0.01 0.12 0.42 -0.75 4.56 4.36 1uf2J1 TYR 147 HB2 0.00 0.13 0.16 -0.04 3.06 3.31 1uf2J1 TYR 147 HB3 0.00 -0.05 0.06 -0.04 2.98 2.95 1uf2J1 TYR 147 HD2 0.00 0.08 0.03 -0.04 7.15 7.22 1uf2J1 TYR 147 HE2 0.00 -0.04 0.02 -0.04 6.85 6.79 1uf2J1 SER 148 H 0.09 0.11 -0.22 -0.55 8.46 7.90 1uf2J1 SER 148 HA 0.06 0.18 0.77 -0.75 4.49 4.75 1uf2J1 SER 148 HB2 0.05 0.00 0.00 -0.04 3.95 3.96 1uf2J1 SER 148 HB3 0.03 0.06 -0.01 -0.04 3.93 3.97 1uf2J1 GLU 149 H 0.07 0.26 -0.38 -0.55 8.60 8.01 1uf2J1 GLU 149 HA 0.05 0.12 0.41 -0.75 4.29 4.11 1uf2J1 GLU 149 HB2 0.06 -0.13 0.03 -0.04 2.09 2.01 1uf2J1 GLU 149 HB3 0.07 0.05 0.03 -0.04 1.99 2.10 1uf2J1 GLU 149 HG2 0.07 0.11 -0.29 -0.04 2.34 2.19 1uf2J1 GLU 149 HG3 0.07 0.16 0.03 -0.04 2.34 2.55 1uf2J1 PRO 150 HA 0.07 0.34 0.98 -0.51 4.44 5.32 1uf2J1 PRO 150 HB2 0.07 -0.04 0.07 -0.04 2.28 2.34 1uf2J1 PRO 150 HB3 0.04 -0.01 0.00 -0.04 2.02 2.01 1uf2J1 PRO 150 HG2 0.06 0.03 0.15 -0.04 2.03 2.23 1uf2J1 PRO 150 HG3 0.04 -0.04 0.09 -0.04 2.03 2.07 1uf2J1 PRO 150 HD2 0.05 0.12 0.25 -0.04 3.68 4.05 1uf2J1 PRO 150 HD3 0.04 0.24 0.19 -0.04 3.65 4.08 1uf2J1 ILE 151 H 0.10 0.67 0.34 -0.55 8.25 8.80 1uf2J1 ILE 151 HA 0.06 0.18 0.84 -0.75 4.18 4.50 1uf2J1 ILE 151 HB -0.04 -0.07 -0.21 -0.04 1.89 1.53 1uf2J1 ILE 151 HG12 -0.09 -0.03 -0.21 -0.04 1.49 1.12 1uf2J1 ILE 151 HG13 0.02 0.07 -0.20 -0.04 1.21 1.06 1uf2J1 ILE 151 HG23 -0.04 0.01 -0.07 -0.04 0.93 0.78 1uf2J1 ILE 151 HD13 0.06 0.01 -0.33 -0.04 0.88 0.59 1uf2J1 GLU 152 H 0.05 0.10 0.12 -0.55 8.60 8.33 1uf2J1 GLU 152 HA 0.04 0.38 0.80 -0.75 4.29 4.76 1uf2J1 GLU 152 HB2 0.07 -0.15 0.20 -0.04 2.09 2.17 1uf2J1 GLU 152 HB3 0.05 0.01 0.25 -0.04 1.99 2.26 1uf2J1 GLU 152 HG2 0.07 0.14 0.01 -0.04 2.34 2.51 1uf2J1 GLU 152 HG3 0.08 -0.02 0.07 -0.04 2.34 2.42 1uf2J1 PRO 153 HA 0.03 0.04 0.27 -0.51 4.44 4.27 1uf2J1 PRO 153 HB2 -0.10 0.04 -0.04 -0.04 2.28 2.14 1uf2J1 PRO 153 HB3 -0.08 0.01 -0.06 -0.04 2.02 1.86 1uf2J1 PRO 153 HG2 -1.25 -0.02 -0.15 -0.04 2.03 0.57 1uf2J1 PRO 153 HG3 -0.86 0.05 -0.02 -0.04 2.03 1.15 1uf2J1 PRO 153 HD2 -0.13 0.17 0.06 -0.04 3.68 3.74 1uf2J1 PRO 153 HD3 -0.07 0.39 0.34 -0.04 3.65 4.27 1uf2J1 CYS 154 H 0.04 0.43 -0.32 -0.55 8.50 8.09 1uf2J1 CYS 154 HA -0.00 0.02 0.24 -0.75 4.58 4.09 1uf2J1 CYS 154 HB2 0.10 -0.05 0.02 -0.04 2.97 3.00 1uf2J1 CYS 154 HB3 0.14 0.13 -0.28 -0.04 2.97 2.92 1uf2J1 LYS 155 H 0.09 0.66 -0.34 -0.55 8.42 8.28 1uf2J1 LYS 155 HA 0.15 0.03 0.63 -0.75 4.32 4.38 1uf2J1 LYS 155 HB2 0.09 0.18 0.12 -0.04 1.87 2.23 1uf2J1 LYS 155 HB3 0.25 -0.04 -0.02 -0.04 1.79 1.94 1uf2J1 LYS 155 HG2 0.16 -0.09 0.05 -0.04 1.46 1.53 1uf2J1 LYS 155 HG3 0.12 0.00 0.01 -0.04 1.46 1.55 1uf2J1 LYS 155 HD2 0.23 -0.02 -0.00 -0.04 1.69 1.86 1uf2J1 LYS 155 HD3 0.17 -0.07 0.02 -0.04 1.68 1.76 1uf2J1 LYS 155 HE2 0.11 0.00 0.07 -0.04 2.99 3.13 1uf2J1 LYS 155 HE3 0.09 -0.01 0.10 -0.04 2.99 3.13 1uf2J1 LEU 156 H 0.11 0.24 -0.10 -0.55 8.37 8.08 1uf2J1 LEU 156 HA 0.27 0.01 0.29 -0.75 4.35 4.17 1uf2J1 LEU 156 HB2 0.16 0.06 0.08 -0.04 1.64 1.90 1uf2J1 LEU 156 HB3 0.45 0.00 -0.13 -0.04 1.64 1.92 1uf2J1 LEU 156 HG 0.02 -0.01 -0.10 -0.04 1.64 1.50 1uf2J1 LEU 156 HD13 0.12 0.05 0.02 -0.04 0.93 1.08 1uf2J1 LEU 156 HD23 -0.56 -0.01 -0.14 -0.04 0.89 0.14 1uf2J1 PHE 157 H 0.15 0.07 -1.00 -0.55 8.34 7.01 1uf2J1 PHE 157 HA -0.63 -0.02 0.41 -0.75 4.62 3.62 1uf2J1 PHE 157 HB2 -0.80 -0.05 -0.05 -0.04 3.15 2.21 1uf2J1 PHE 157 HB3 -0.32 0.11 0.00 -0.04 3.06 2.80 1uf2J1 PHE 157 HD2 -1.94 -0.05 -0.16 -0.04 7.28 5.10 1uf2J1 PHE 157 HE2 -0.18 -0.07 -0.10 -0.04 7.38 6.98 1uf2J1 PHE 157 HZ -0.10 0.10 -0.41 -0.04 7.32 6.87 1uf2J1 ARG 158 H -1.11 0.16 0.25 -0.55 8.46 7.21 1uf2J1 ARG 158 HA -0.38 0.31 0.84 -0.75 4.34 4.36 1uf2J1 ARG 158 HB2 -0.06 -0.08 0.06 -0.04 1.90 1.78 1uf2J1 ARG 158 HB3 -0.14 0.03 0.08 -0.04 1.80 1.73 1uf2J1 ARG 158 HG2 -0.01 -0.07 -0.26 -0.04 1.67 1.28 1uf2J1 ARG 158 HG3 -0.08 0.14 0.06 -0.04 1.67 1.74 1uf2J1 ARG 158 HD2 0.09 0.01 -0.28 -0.04 3.22 3.00 1uf2J1 ARG 158 HD3 0.10 -0.07 -0.13 -0.04 3.22 3.08 1uf2J1 SER 159 H -0.27 0.03 0.31 -0.55 8.46 7.99 1uf2J1 SER 159 HA -0.31 0.13 0.56 -0.75 4.49 4.11 1uf2J1 SER 159 HB2 -0.08 -0.06 0.24 -0.04 3.95 4.02 1uf2J1 SER 159 HB3 -0.03 0.18 0.25 -0.04 3.93 4.28 1uf2J1 VAL 160 H 0.02 0.42 0.30 -0.55 8.24 8.43 1uf2J1 VAL 160 HA 0.03 0.17 0.95 -0.75 4.13 4.53 1uf2J1 VAL 160 HB 0.19 0.04 0.03 -0.04 2.12 2.34 1uf2J1 VAL 160 HG13 0.17 -0.01 -0.03 -0.04 0.97 1.06 1uf2J1 VAL 160 HG23 0.06 -0.10 0.20 -0.04 0.95 1.08 1uf2J1 ALA 161 H 0.05 0.09 0.16 -0.55 8.40 8.15 1uf2J1 ALA 161 HA 0.03 0.10 0.37 -0.75 4.34 4.09 1uf2J1 ALA 161 HB3 0.03 -0.01 0.14 -0.04 1.41 1.53 1uf2J1 GLY 162 H 0.07 0.02 0.03 -0.55 8.43 8.01 1uf2J1 GLY 162 HA2 0.06 0.03 0.37 -0.51 4.01 3.96 1uf2J1 GLY 162 HA3 0.10 0.01 0.32 -0.51 4.01 3.93 1uf2J1 GLN 163 H 0.14 0.04 -0.17 -0.55 8.47 7.94 1uf2J1 GLN 163 HA 0.09 0.20 1.05 -0.75 4.36 4.94 1uf2J1 GLN 163 HB2 0.13 -0.04 0.04 -0.04 2.15 2.24 1uf2J1 GLN 163 HB3 0.14 0.05 -0.06 -0.04 2.02 2.11 1uf2J1 GLN 163 HG2 0.25 -0.13 0.05 -0.04 2.40 2.53 1uf2J1 GLN 163 HG3 0.31 0.01 -0.08 -0.04 2.39 2.59 1uf2J1 GLN 163 HE21 0.09 -0.08 0.05 -0.04 6.97 6.99 1uf2J1 GLN 163 HE22 0.12 0.43 0.14 -0.04 7.69 8.34 1uf2J1 THR 164 H 0.07 0.10 0.15 -0.55 8.28 8.05 1uf2J1 THR 164 HA 0.05 0.18 0.47 -0.75 4.39 4.34 1uf2J1 THR 164 HB 0.05 -0.15 0.15 -0.04 4.32 4.33 1uf2J1 THR 164 HG23 0.03 0.00 -0.17 -0.04 1.22 1.05 1uf2J1 GLY 165 H 0.09 0.04 -0.00 -0.55 8.43 8.02 1uf2J1 GLY 165 HA2 0.34 0.28 0.87 -0.51 4.01 4.98 1uf2J1 GLY 165 HA3 0.10 -0.07 0.26 -0.51 4.01 3.79 1uf2J1 ASN 166 H -0.07 0.06 0.11 -0.55 8.53 8.09 1uf2J1 ASN 166 HA -0.42 0.25 0.80 -0.75 4.76 4.64 1uf2J1 ASN 166 HB2 -2.39 0.09 0.00 -0.04 2.88 0.54 1uf2J1 ASN 166 HB3 -0.47 -0.10 0.20 -0.04 2.79 2.38 1uf2J1 ASN 166 HD21 0.14 0.31 0.10 -0.04 7.03 7.54 1uf2J1 ASN 166 HD22 -0.14 -0.07 0.04 -0.04 7.74 7.53 1uf2J1 ILE 167 H -0.11 0.11 0.15 -0.55 8.25 7.85 1uf2J1 ILE 167 HA 0.05 0.12 0.39 -0.75 4.18 3.98 1uf2J1 ILE 167 HB -0.08 0.00 0.17 -0.04 1.89 1.94 1uf2J1 ILE 167 HG12 -0.18 -0.03 0.10 -0.04 1.49 1.33 1uf2J1 ILE 167 HG13 -0.20 0.04 0.05 -0.04 1.21 1.05 1uf2J1 ILE 167 HG23 -0.11 0.01 -0.16 -0.04 0.93 0.63 1uf2J1 ILE 167 HD13 -0.68 0.01 0.01 -0.04 0.88 0.18 1uf2J1 PRO 168 HA 0.01 0.08 0.38 -0.51 4.44 4.40 1uf2J1 PRO 168 HB2 0.01 0.09 -0.08 -0.04 2.28 2.26 1uf2J1 PRO 168 HB3 0.01 0.08 0.06 -0.04 2.02 2.13 1uf2J1 PRO 168 HG2 0.02 -0.02 -0.22 -0.04 2.03 1.77 1uf2J1 PRO 168 HG3 0.03 0.12 -0.02 -0.04 2.03 2.12 1uf2J1 PRO 168 HD2 -0.02 -0.23 0.03 -0.04 3.68 3.42 1uf2J1 PRO 168 HD3 -0.01 0.21 0.12 -0.04 3.65 3.92 1uf2J1 MET 169 H 0.01 0.12 -0.86 -0.55 8.47 7.19 1uf2J1 MET 169 HA -0.00 0.01 0.27 -0.75 4.52 4.05 1uf2J1 MET 169 HB2 -0.05 0.25 -0.06 -0.04 2.15 2.25 1uf2J1 MET 169 HB3 -0.07 -0.01 -0.02 -0.04 2.03 1.89 1uf2J1 MET 169 HG2 0.04 -0.17 -0.07 -0.04 2.63 2.38 1uf2J1 MET 169 HG3 0.05 0.11 0.03 -0.04 2.56 2.71 1uf2J1 MET 169 HE3 0.07 0.01 -0.02 -0.04 2.10 2.12 1uf2J1 MET 170 H 0.08 0.54 -0.75 -0.55 8.47 7.80 1uf2J1 MET 170 HA 0.13 0.07 0.45 -0.75 4.52 4.43 1uf2J1 MET 170 HB2 0.45 0.01 0.08 -0.04 2.15 2.66 1uf2J1 MET 170 HB3 0.12 -0.04 0.13 -0.04 2.03 2.20 1uf2J1 MET 170 HG2 0.12 -0.02 -0.33 -0.04 2.63 2.36 1uf2J1 MET 170 HG3 0.34 0.02 -0.10 -0.04 2.56 2.78 1uf2J1 MET 170 HE3 -0.06 0.03 -0.07 -0.04 2.10 1.96 1uf2J1 GLY 171 H 0.04 0.24 0.05 -0.55 8.43 8.21 1uf2J1 GLY 171 HA2 0.02 0.05 0.33 -0.51 4.01 3.90 1uf2J1 GLY 171 HA3 0.01 0.05 0.30 -0.51 4.01 3.86 1uf2J1 ILE 172 H -0.00 0.14 -0.73 -0.55 8.25 7.11 1uf2J1 ILE 172 HA -0.02 0.12 0.60 -0.75 4.18 4.12 1uf2J1 ILE 172 HB -0.03 0.07 -0.01 -0.04 1.89 1.88 1uf2J1 ILE 172 HG12 -0.01 0.02 -0.04 -0.04 1.49 1.41 1uf2J1 ILE 172 HG13 -0.00 -0.03 -0.09 -0.04 1.21 1.04 1uf2J1 ILE 172 HG23 -0.05 0.01 -0.08 -0.04 0.93 0.77 1uf2J1 ILE 172 HD13 -0.00 -0.01 -0.03 -0.04 0.88 0.80 1uf2J1 LEU 173 H -0.04 0.37 -0.15 -0.55 8.37 8.01 1uf2J1 LEU 173 HA -0.15 0.10 0.52 -0.75 4.35 4.06 1uf2J1 LEU 173 HB2 -0.02 0.10 0.14 -0.04 1.64 1.81 1uf2J1 LEU 173 HB3 -0.09 -0.10 0.02 -0.04 1.64 1.44 1uf2J1 LEU 173 HG -0.15 0.28 0.09 -0.04 1.64 1.82 1uf2J1 LEU 173 HD13 -0.29 -0.06 -0.15 -0.04 0.93 0.39 1uf2J1 LEU 173 HD23 -0.48 -0.02 -0.08 -0.04 0.89 0.26 1uf2J1 ALA 174 H -0.01 0.16 -0.49 -0.55 8.40 7.52 1uf2J1 ALA 174 HA 0.01 0.18 0.61 -0.75 4.34 4.38 1uf2J1 ALA 174 HB3 0.02 -0.01 0.01 -0.04 1.41 1.39 1uf2J1 THR 175 H -0.03 0.21 -0.49 -0.55 8.28 7.43 1uf2J1 THR 175 HA -0.01 0.11 0.75 -0.75 4.39 4.48 1uf2J1 THR 175 HB -0.03 0.05 0.10 -0.04 4.32 4.41 1uf2J1 THR 175 HG23 -0.01 0.01 -0.03 -0.04 1.22 1.14 1uf2J1 PRO 176 HA -0.03 -0.01 0.25 -0.51 4.44 4.15 1uf2J1 PRO 176 HB2 -0.01 0.00 -0.01 -0.04 2.28 2.22 1uf2J1 PRO 176 HB3 -0.01 0.00 0.07 -0.04 2.02 2.04 1uf2J1 PRO 176 HG2 -0.01 -0.02 0.07 -0.04 2.03 2.04 1uf2J1 PRO 176 HG3 -0.01 0.01 0.07 -0.04 2.03 2.06 1uf2J1 PRO 176 HD2 -0.01 0.04 0.17 -0.04 3.68 3.84 1uf2J1 PRO 176 HD3 -0.01 0.28 0.28 -0.04 3.65 4.16 1uf2J1 PRO 177 HA -0.03 0.13 0.50 -0.51 4.44 4.53 1uf2J1 PRO 177 HB2 -0.03 -0.11 -0.16 -0.04 2.28 1.94 1uf2J1 PRO 177 HB3 -0.05 0.12 -0.09 -0.04 2.02 1.96 1uf2J1 PRO 177 HG2 -0.02 -0.03 -0.19 -0.04 2.03 1.75 1uf2J1 PRO 177 HG3 -0.03 0.11 -0.45 -0.04 2.03 1.62 1uf2J1 PRO 177 HD2 -0.02 0.04 0.11 -0.04 3.68 3.77 1uf2J1 PRO 177 HD3 -0.04 0.16 -0.07 -0.04 3.65 3.66 1uf2J1 ALA 178 H -0.02 0.11 0.18 -0.55 8.40 8.13 1uf2J1 ALA 178 HA -0.01 0.17 0.73 -0.75 4.34 4.48 1uf2J1 ALA 178 HB3 -0.01 0.01 0.07 -0.04 1.41 1.44 1uf2J1 ALA 179 H -0.01 0.25 0.20 -0.55 8.40 8.30 1uf2J1 ALA 179 HA 0.00 0.05 0.46 -0.75 4.34 4.10 1uf2J1 ALA 179 HB3 0.01 0.05 -0.05 -0.04 1.41 1.37 1uf2J1 GLN 180 H 0.02 0.12 0.14 -0.55 8.47 8.21 1uf2J1 GLN 180 HA 0.02 0.03 0.52 -0.75 4.36 4.17 1uf2J1 GLN 180 HB2 0.04 -0.02 0.18 -0.04 2.15 2.31 1uf2J1 GLN 180 HB3 0.04 -0.04 0.22 -0.04 2.02 2.20 1uf2J1 GLN 180 HG2 0.06 0.26 -0.20 -0.04 2.40 2.47 1uf2J1 GLN 180 HG3 0.08 0.01 -0.02 -0.04 2.39 2.42 1uf2J1 GLN 180 HE21 0.10 -0.06 0.02 -0.04 6.97 6.98 1uf2J1 GLN 180 HE22 0.08 0.13 -0.01 -0.04 7.69 7.85 1uf2J1 GLN 181 H -0.01 0.24 0.38 -0.55 8.47 8.54 1uf2J1 GLN 181 HA 0.01 0.05 0.52 -0.75 4.36 4.18 1uf2J1 GLN 181 HB2 -0.05 0.10 0.20 -0.04 2.15 2.36 1uf2J1 GLN 181 HB3 -0.02 -0.14 0.29 -0.04 2.02 2.10 1uf2J1 GLN 181 HG2 -0.01 -0.05 0.12 -0.04 2.40 2.41 1uf2J1 GLN 181 HG3 -0.02 0.11 0.17 -0.04 2.39 2.60 1uf2J1 GLN 181 HE21 -0.05 0.16 0.02 -0.04 6.97 7.06 1uf2J1 GLN 181 HE22 -0.03 -0.26 0.13 -0.04 7.69 7.48 1uf2J1 GLN 182 H 0.02 0.07 0.20 -0.55 8.47 8.21 1uf2J1 GLN 182 HA 0.04 0.15 0.74 -0.75 4.36 4.54 1uf2J1 GLN 182 HB2 0.05 -0.02 0.15 -0.04 2.15 2.29 1uf2J1 GLN 182 HB3 0.06 0.06 0.14 -0.04 2.02 2.23 1uf2J1 GLN 182 HG2 0.03 -0.04 -0.00 -0.04 2.40 2.34 1uf2J1 GLN 182 HG3 0.03 -0.01 0.07 -0.04 2.39 2.44 1uf2J1 GLN 182 HE21 0.02 -0.03 0.03 -0.04 6.97 6.94 1uf2J1 GLN 182 HE22 0.02 0.04 -0.02 -0.04 7.69 7.69 1uf2J1 PRO 183 HA 0.29 0.26 0.61 -0.51 4.44 5.09 1uf2J1 PRO 183 HB2 0.13 -0.05 0.08 -0.04 2.28 2.40 1uf2J1 PRO 183 HB3 0.13 0.02 0.14 -0.04 2.02 2.26 1uf2J1 PRO 183 HG2 -0.12 0.02 0.14 -0.04 2.03 2.03 1uf2J1 PRO 183 HG3 -0.09 0.06 0.12 -0.04 2.03 2.07 1uf2J1 PRO 183 HD2 0.04 0.05 0.25 -0.04 3.68 3.98 1uf2J1 PRO 183 HD3 0.03 0.17 0.30 -0.04 3.65 4.11 1uf2J1 PHE 184 H 0.55 0.43 0.40 -0.55 8.34 9.17 1uf2J1 PHE 184 HA 0.17 0.14 0.87 -0.75 4.62 5.05 1uf2J1 PHE 184 HB2 0.02 -0.02 -0.00 -0.04 3.15 3.11 1uf2J1 PHE 184 HB3 0.03 0.13 -0.11 -0.04 3.06 3.07 1uf2J1 PHE 184 HD2 -0.07 0.17 -0.07 -0.04 7.28 7.27 1uf2J1 PHE 184 HE2 -0.20 -0.06 -0.31 -0.04 7.38 6.77 1uf2J1 PHE 184 HZ -0.15 0.01 -0.26 -0.04 7.32 6.88 1uf2J1 PHE 185 H 0.35 0.24 0.14 -0.55 8.34 8.52 1uf2J1 PHE 185 HA -0.06 0.33 1.10 -0.75 4.62 5.24 1uf2J1 PHE 185 HB2 0.16 -0.03 0.04 -0.04 3.15 3.28 1uf2J1 PHE 185 HB3 0.36 -0.05 0.10 -0.04 3.06 3.43 1uf2J1 PHE 185 HD2 0.09 -0.03 -0.13 -0.04 7.28 7.17 1uf2J1 PHE 185 HE2 -0.35 -0.03 -0.12 -0.04 7.38 6.84 1uf2J1 PHE 185 HZ -0.34 -0.03 -0.13 -0.04 7.32 6.78 1uf2J1 VAL 186 H -0.18 0.75 0.34 -0.55 8.24 8.60 1uf2J1 VAL 186 HA 0.07 0.15 0.85 -0.75 4.13 4.44 1uf2J1 VAL 186 HB -0.11 0.03 -0.26 -0.04 2.12 1.73 1uf2J1 VAL 186 HG13 -0.33 -0.00 -0.21 -0.04 0.97 0.39 1uf2J1 VAL 186 HG23 -0.22 -0.00 0.02 -0.04 0.95 0.71 1uf2J1 ALA 187 H 0.08 0.21 0.15 -0.55 8.40 8.29 1uf2J1 ALA 187 HA 0.11 0.17 1.01 -0.75 4.34 4.88 1uf2J1 ALA 187 HB3 0.20 0.02 -0.15 -0.04 1.41 1.43 1uf2J1 GLU 188 H -0.05 0.84 0.30 -0.55 8.60 9.14 1uf2J1 GLU 188 HA -0.56 0.19 0.77 -0.75 4.29 3.94 1uf2J1 GLU 188 HB2 -0.24 0.06 0.14 -0.04 2.09 2.01 1uf2J1 GLU 188 HB3 -0.62 -0.27 0.26 -0.04 1.99 1.32 1uf2J1 GLU 188 HG2 -1.59 0.02 0.03 -0.04 2.34 0.76 1uf2J1 GLU 188 HG3 -0.28 0.08 -0.16 -0.04 2.34 1.94 1uf2J1 ARG 189 H -0.40 0.13 0.18 -0.55 8.46 7.82 1uf2J1 ARG 189 HA 0.01 0.07 0.56 -0.75 4.34 4.23 1uf2J1 ARG 189 HB2 -0.08 -0.05 0.18 -0.04 1.90 1.91 1uf2J1 ARG 189 HB3 0.01 0.10 -0.01 -0.04 1.80 1.86 1uf2J1 ARG 189 HG2 0.09 -0.00 0.04 -0.04 1.67 1.76 1uf2J1 ARG 189 HG3 0.13 -0.01 0.05 -0.04 1.67 1.79 1uf2J1 ARG 189 HD2 0.06 0.01 0.02 -0.04 3.22 3.27 1uf2J1 ARG 189 HD3 0.04 0.04 0.01 -0.04 3.22 3.27 1uf2J1 ARG 190 H -0.08 -0.02 0.06 -0.55 8.46 7.86 1uf2J1 ARG 190 HA 0.11 0.36 1.09 -0.75 4.34 5.14 1uf2J1 ARG 190 HB2 0.03 -0.04 -0.01 -0.04 1.90 1.83 1uf2J1 ARG 190 HB3 0.04 -0.04 0.07 -0.04 1.80 1.82 1uf2J1 ARG 190 HG2 0.10 0.00 0.25 -0.04 1.67 1.97 1uf2J1 ARG 190 HG3 0.09 0.10 0.17 -0.04 1.67 2.00 1uf2J1 ARG 190 HD2 0.04 -0.02 0.01 -0.04 3.22 3.21 1uf2J1 ARG 190 HD3 0.05 -0.05 0.02 -0.04 3.22 3.19 1uf2J1 ARG 191 H -0.05 -0.02 -0.17 -0.55 8.46 7.67 1uf2J1 ARG 191 HA 0.31 0.19 0.57 -0.75 4.34 4.65 1uf2J1 ARG 191 HB2 0.05 0.19 0.07 -0.04 1.90 2.18 1uf2J1 ARG 191 HB3 0.12 0.09 0.07 -0.04 1.80 2.04 1uf2J1 ARG 191 HG2 -0.02 -0.18 -0.21 -0.04 1.67 1.22 1uf2J1 ARG 191 HG3 -0.03 -0.08 -0.15 -0.04 1.67 1.37 1uf2J1 ARG 191 HD2 0.01 0.08 -0.18 -0.04 3.22 3.09 1uf2J1 ARG 191 HD3 0.10 0.03 -0.13 -0.04 3.22 3.18 1uf2J1 ILE 192 H 0.14 0.71 0.38 -0.55 8.25 8.93 1uf2J1 ILE 192 HA -0.02 0.12 0.96 -0.75 4.18 4.49 1uf2J1 ILE 192 HB 0.16 -0.03 0.13 -0.04 1.89 2.11 1uf2J1 ILE 192 HG12 -0.56 -0.06 -0.18 -0.04 1.49 0.65 1uf2J1 ILE 192 HG13 -0.04 0.02 -0.08 -0.04 1.21 1.07 1uf2J1 ILE 192 HG23 -0.10 0.02 -0.20 -0.04 0.93 0.61 1uf2J1 ILE 192 HD13 0.10 0.01 -0.06 -0.04 0.88 0.89 1uf2J1 LEU 193 H -0.11 0.80 0.40 -0.55 8.37 8.91 1uf2J1 LEU 193 HA -0.25 0.30 1.11 -0.75 4.35 4.75 1uf2J1 LEU 193 HB2 -0.12 -0.06 0.00 -0.04 1.64 1.42 1uf2J1 LEU 193 HB3 -0.23 0.05 -0.11 -0.04 1.64 1.31 1uf2J1 LEU 193 HG 0.02 -0.13 -0.37 -0.04 1.64 1.12 1uf2J1 LEU 193 HD13 0.28 -0.01 -0.11 -0.04 0.93 1.06 1uf2J1 LEU 193 HD23 -0.08 0.02 -0.11 -0.04 0.89 0.68 1uf2J1 PHE 194 H -0.62 0.78 0.34 -0.55 8.34 8.28 1uf2J1 PHE 194 HA -0.99 0.42 0.90 -0.75 4.62 4.20 1uf2J1 PHE 194 HB2 -0.62 0.04 0.13 -0.04 3.15 2.66 1uf2J1 PHE 194 HB3 -1.40 -0.03 -0.27 -0.04 3.06 1.31 1uf2J1 PHE 194 HD2 -1.00 0.01 -0.26 -0.04 7.28 6.00 1uf2J1 PHE 194 HE2 -0.77 -0.00 -0.18 -0.04 7.38 6.39 1uf2J1 PHE 194 HZ -0.61 -0.00 -0.16 -0.04 7.32 6.52 1uf2J1 GLY 195 H -0.39 0.44 0.39 -0.55 8.43 8.31 1uf2J1 GLY 195 HA2 -0.32 0.02 0.40 -0.51 4.01 3.59 1uf2J1 GLY 195 HA3 -0.38 0.17 0.66 -0.51 4.01 3.96 1uf2J1 ILE 196 H -0.86 0.47 0.23 -0.55 8.25 7.55 1uf2J1 ILE 196 HA 0.10 0.17 0.79 -0.75 4.18 4.49 1uf2J1 ILE 196 HB 0.06 -0.08 0.15 -0.04 1.89 1.98 1uf2J1 ILE 196 HG12 0.17 0.09 -0.21 -0.04 1.49 1.49 1uf2J1 ILE 196 HG13 0.23 -0.16 -0.32 -0.04 1.21 0.92 1uf2J1 ILE 196 HG23 0.09 0.03 -0.18 -0.04 0.93 0.83 1uf2J1 ILE 196 HD13 0.30 0.01 -0.04 -0.04 0.88 1.10 1uf2J1 ARG 197 H -0.21 0.15 0.04 -0.55 8.46 7.89 1uf2J1 ARG 197 HA -0.10 0.20 0.69 -0.75 4.34 4.38 1uf2J1 ARG 197 HB2 -0.15 0.06 0.07 -0.04 1.90 1.85 1uf2J1 ARG 197 HB3 -0.28 0.03 -0.01 -0.04 1.80 1.49 1uf2J1 ARG 197 HG2 -0.29 -0.09 0.12 -0.04 1.67 1.37 1uf2J1 ARG 197 HG3 -0.18 -0.04 -0.02 -0.04 1.67 1.38 1uf2J1 ARG 197 HD2 -0.95 -0.08 -0.07 -0.04 3.22 2.09 1uf2J1 ARG 197 HD3 -0.44 -0.02 -0.04 -0.04 3.22 2.67 1uf2J1 SER 198 H -0.03 0.61 0.29 -0.55 8.46 8.79 1uf2J1 SER 198 HA -0.01 -0.02 0.36 -0.75 4.49 4.07 1uf2J1 SER 198 HB2 0.04 0.11 -0.11 -0.04 3.95 3.94 1uf2J1 SER 198 HB3 0.04 0.05 -0.11 -0.04 3.93 3.87 1uf2J1 ASN 199 H 0.00 0.07 -0.09 -0.55 8.53 7.96 1uf2J1 ASN 199 HA -0.00 0.21 0.73 -0.75 4.76 4.94 1uf2J1 ASN 199 HB2 -0.00 -0.00 0.08 -0.04 2.88 2.91 1uf2J1 ASN 199 HB3 -0.01 0.09 -0.14 -0.04 2.79 2.68 1uf2J1 ASN 199 HD21 0.00 0.15 -0.05 -0.04 7.03 7.09 1uf2J1 ASN 199 HD22 -0.00 0.04 -0.07 -0.04 7.74 7.66 1uf2J1 ALA 200 H 0.02 0.10 -0.20 -0.55 8.40 7.77 1uf2J1 ALA 200 HA 0.01 0.13 0.81 -0.75 4.34 4.55 1uf2J1 ALA 200 HB3 0.02 0.01 0.00 -0.04 1.41 1.39 1uf2J1 ALA 201 H 0.01 0.08 0.03 -0.55 8.40 7.98 1uf2J1 ALA 201 HA 0.02 0.04 0.07 -0.75 4.34 3.71 1uf2J1 ALA 201 HB3 0.01 -0.01 -0.08 -0.04 1.41 1.29 1uf2J1 ILE 202 H 0.03 0.19 0.11 -0.55 8.25 8.03 1uf2J1 ILE 202 HA 0.08 0.21 0.94 -0.75 4.18 4.65 1uf2J1 ILE 202 HB 0.06 -0.06 0.27 -0.04 1.89 2.11 1uf2J1 ILE 202 HG12 0.11 0.03 -0.03 -0.04 1.49 1.56 1uf2J1 ILE 202 HG13 0.08 0.04 -0.16 -0.04 1.21 1.13 1uf2J1 ILE 202 HG23 0.16 0.05 -0.05 -0.04 0.93 1.04 1uf2J1 ILE 202 HD13 0.19 -0.03 0.01 -0.04 0.88 1.00 1uf2J1 PRO 203 HA 0.05 -0.04 0.30 -0.51 4.44 4.24 1uf2J1 PRO 203 HB2 0.08 0.10 -0.02 -0.04 2.28 2.41 1uf2J1 PRO 203 HB3 0.06 0.01 0.09 -0.04 2.02 2.14 1uf2J1 PRO 203 HG2 0.22 0.03 -0.09 -0.04 2.03 2.15 1uf2J1 PRO 203 HG3 0.09 0.05 0.02 -0.04 2.03 2.15 1uf2J1 PRO 203 HD2 0.14 0.13 0.19 -0.04 3.68 4.10 1uf2J1 PRO 203 HD3 0.08 0.15 0.14 -0.04 3.65 3.98 1uf2J1 ALA 204 H 0.05 0.13 0.12 -0.55 8.40 8.16 1uf2J1 ALA 204 HA 0.06 0.13 0.76 -0.75 4.34 4.54 1uf2J1 ALA 204 HB3 0.02 0.05 -0.28 -0.04 1.41 1.15 1uf2J1 GLY 205 H 0.23 0.08 0.00 -0.55 8.43 8.20 1uf2J1 GLY 205 HA2 0.08 0.08 0.42 -0.51 4.01 4.08 1uf2J1 GLY 205 HA3 0.09 0.01 0.37 -0.51 4.01 3.97 1uf2J1 ALA 206 H -0.03 0.27 0.11 -0.55 8.40 8.20 1uf2J1 ALA 206 HA 0.19 0.19 0.72 -0.75 4.34 4.68 1uf2J1 ALA 206 HB3 0.02 0.01 -0.06 -0.04 1.41 1.34 1uf2J1 TYR 207 H 0.36 0.72 0.26 -0.55 8.29 9.08 1uf2J1 TYR 207 HA 0.07 0.13 1.01 -0.75 4.56 5.02 1uf2J1 TYR 207 HB2 0.36 -0.01 0.10 -0.04 3.06 3.47 1uf2J1 TYR 207 HB3 0.18 0.06 -0.04 -0.04 2.98 3.14 1uf2J1 TYR 207 HD2 0.10 -0.03 -0.22 -0.04 7.15 6.96 1uf2J1 TYR 207 HE2 0.06 -0.09 -0.10 -0.04 6.85 6.68 1uf2J1 GLN 208 H 0.02 0.15 0.12 -0.55 8.47 8.22 1uf2J1 GLN 208 HA 0.16 0.10 0.63 -0.75 4.36 4.49 1uf2J1 GLN 208 HB2 -0.00 -0.03 0.14 -0.04 2.15 2.22 1uf2J1 GLN 208 HB3 0.00 0.02 -0.06 -0.04 2.02 1.94 1uf2J1 GLN 208 HG2 0.01 0.00 -0.04 -0.04 2.40 2.33 1uf2J1 GLN 208 HG3 0.05 0.06 -0.04 -0.04 2.39 2.42 1uf2J1 GLN 208 HE21 0.03 -0.01 -0.09 -0.04 6.97 6.86 1uf2J1 GLN 208 HE22 0.02 0.02 -0.07 -0.04 7.69 7.62 1uf2J1 PHE 209 H 0.27 0.54 0.38 -0.55 8.34 8.98 1uf2J1 PHE 209 HA 0.10 0.16 0.90 -0.75 4.62 5.02 1uf2J1 PHE 209 HB2 -0.01 0.07 0.18 -0.04 3.15 3.35 1uf2J1 PHE 209 HB3 0.03 -0.01 -0.07 -0.04 3.06 2.96 1uf2J1 PHE 209 HD2 0.25 0.09 -0.09 -0.04 7.28 7.49 1uf2J1 PHE 209 HE2 0.34 0.02 -0.04 -0.04 7.38 7.66 1uf2J1 PHE 209 HZ 0.31 -0.06 -0.15 -0.04 7.32 7.38 1uf2J1 VAL 210 H 0.07 0.20 0.11 -0.55 8.24 8.07 1uf2J1 VAL 210 HA -0.03 0.21 1.09 -0.75 4.13 4.65 1uf2J1 VAL 210 HB -0.02 -0.06 0.12 -0.04 2.12 2.12 1uf2J1 VAL 210 HG13 -0.06 0.04 -0.12 -0.04 0.97 0.79 1uf2J1 VAL 210 HG23 -0.01 -0.00 -0.11 -0.04 0.95 0.78 1uf2J1 VAL 211 H -0.15 0.45 0.19 -0.55 8.24 8.18 1uf2J1 VAL 211 HA -0.80 0.01 0.39 -0.75 4.13 2.97 1uf2J1 VAL 211 HB -0.25 0.07 0.03 -0.04 2.12 1.93 1uf2J1 VAL 211 HG13 -0.47 0.02 -0.21 -0.04 0.97 0.27 1uf2J1 VAL 211 HG23 -0.15 -0.01 -0.29 -0.04 0.95 0.46 1uf2J1 PRO 212 HA -0.20 0.05 0.35 -0.51 4.44 4.13 1uf2J1 PRO 212 HB2 -1.11 -0.14 -0.06 -0.04 2.28 0.92 1uf2J1 PRO 212 HB3 0.08 -0.00 0.14 -0.04 2.02 2.19 1uf2J1 PRO 212 HG2 -0.11 0.04 0.06 -0.04 2.03 1.98 1uf2J1 PRO 212 HG3 -0.11 0.07 0.11 -0.04 2.03 2.06 1uf2J1 PRO 212 HD2 -1.93 0.03 0.11 -0.04 3.68 1.86 1uf2J1 PRO 212 HD3 -1.13 0.28 0.27 -0.04 3.65 3.03 1uf2J1 ALA 213 H -0.07 0.09 0.15 -0.55 8.40 8.02 1uf2J1 ALA 213 HA -0.12 0.18 0.48 -0.75 4.34 4.13 1uf2J1 ALA 213 HB3 0.03 0.01 0.17 -0.04 1.41 1.58 1uf2J1 TRP 214 H 0.25 0.16 0.08 -0.55 7.97 7.90 1uf2J1 TRP 214 HA 0.01 0.07 0.31 -0.75 4.62 4.25 1uf2J1 TRP 214 HB2 0.04 0.42 0.02 -0.04 3.23 3.68 1uf2J1 TRP 214 HB3 -0.08 0.03 0.20 -0.04 3.23 3.34 1uf2J1 TRP 214 HD1 -0.14 0.05 0.08 -0.04 7.22 7.17 1uf2J1 TRP 214 HE1 0.18 0.02 0.01 -0.04 10.20 10.37 1uf2J1 TRP 214 HE3 0.14 0.06 -0.58 -0.04 7.59 7.17 1uf2J1 TRP 214 HZ2 0.43 0.12 -0.17 -0.04 7.44 7.77 1uf2J1 TRP 214 HZ3 0.12 -0.03 -0.26 -0.04 7.13 6.92 1uf2J1 TRP 214 HH2 0.25 -0.03 -0.33 -0.04 7.19 7.04 1uf2J1 ALA 215 H -1.71 0.02 -0.67 -0.55 8.40 5.49 1uf2J1 ALA 215 HA -0.43 0.09 0.50 -0.75 4.34 3.75 1uf2J1 ALA 215 HB3 -1.58 -0.00 -0.07 -0.04 1.41 -0.28 1uf2J1 SER 216 H -0.32 0.86 -0.26 -0.55 8.46 8.19 1uf2J1 SER 216 HA -0.18 0.16 0.59 -0.75 4.49 4.31 1uf2J1 SER 216 HB2 -0.12 -0.09 0.20 -0.04 3.95 3.90 1uf2J1 SER 216 HB3 -0.22 0.27 0.14 -0.04 3.93 4.09 1uf2J1 VAL 217 H -0.09 0.14 -0.45 -0.55 8.24 7.29 1uf2J1 VAL 217 HA -0.03 0.19 0.80 -0.75 4.13 4.34 1uf2J1 VAL 217 HB 0.00 -0.08 0.02 -0.04 2.12 2.02 1uf2J1 VAL 217 HG13 0.00 0.01 -0.09 -0.04 0.97 0.85 1uf2J1 VAL 217 HG23 0.02 0.05 -0.06 -0.04 0.95 0.91 1uf2J1 LEU 218 H -0.03 0.19 -0.20 -0.55 8.37 7.78 1uf2J1 LEU 218 HA 0.06 0.24 0.56 -0.75 4.35 4.46 1uf2J1 LEU 218 HB2 0.07 0.06 0.03 -0.04 1.64 1.76 1uf2J1 LEU 218 HB3 0.27 -0.03 0.01 -0.04 1.64 1.85 1uf2J1 LEU 218 HG -0.02 0.01 0.02 -0.04 1.64 1.61 1uf2J1 LEU 218 HD13 -0.11 -0.01 -0.06 -0.04 0.93 0.70 1uf2J1 LEU 218 HD23 0.05 0.00 -0.16 -0.04 0.89 0.74 1uf2J1 SER 219 H 0.13 0.48 0.32 -0.55 8.46 8.84 1uf2J1 SER 219 HA -0.02 -0.05 0.78 -0.75 4.49 4.44 1uf2J1 SER 219 HB2 -0.02 -0.00 -0.11 -0.04 3.95 3.78 1uf2J1 SER 219 HB3 -0.02 0.05 -0.05 -0.04 3.93 3.87 1uf2J1 VAL 220 H -0.33 0.42 0.28 -0.55 8.24 8.06 1uf2J1 VAL 220 HA -0.45 0.58 1.37 -0.75 4.13 4.87 1uf2J1 VAL 220 HB -0.73 -0.05 -0.21 -0.04 2.12 1.09 1uf2J1 VAL 220 HG13 -1.37 -0.02 -0.26 -0.04 0.97 -0.72 1uf2J1 VAL 220 HG23 -0.50 -0.02 -0.18 -0.04 0.95 0.21 1uf2J1 THR 221 H -0.32 0.54 0.37 -0.55 8.28 8.32 1uf2J1 THR 221 HA -0.19 0.07 0.91 -0.75 4.39 4.43 1uf2J1 THR 221 HB -0.11 -0.03 0.05 -0.04 4.32 4.19 1uf2J1 THR 221 HG23 -0.10 0.01 -0.18 -0.04 1.22 0.91 1uf2J1 GLY 222 H -0.14 0.12 0.04 -0.55 8.43 7.90 1uf2J1 GLY 222 HA2 -0.17 -0.02 0.30 -0.51 4.01 3.61 1uf2J1 GLY 222 HA3 -0.16 0.03 0.42 -0.51 4.01 3.79 1uf2J1 ALA 223 H -0.17 0.55 0.16 -0.55 8.40 8.39 1uf2J1 ALA 223 HA -0.21 0.41 1.35 -0.75 4.34 5.14 1uf2J1 ALA 223 HB3 -0.19 -0.04 -0.28 -0.04 1.41 0.87 1uf2J1 TYR 224 H 0.09 0.70 0.39 -0.55 8.29 8.92 1uf2J1 TYR 224 HA 0.11 0.25 0.82 -0.75 4.56 4.99 1uf2J1 TYR 224 HB2 0.21 -0.01 0.20 -0.04 3.06 3.42 1uf2J1 TYR 224 HB3 0.25 -0.02 -0.01 -0.04 2.98 3.16 1uf2J1 TYR 224 HD2 0.07 0.11 -0.06 -0.04 7.15 7.22 1uf2J1 TYR 224 HE2 0.02 0.13 -0.15 -0.04 6.85 6.81 1uf2J1 VAL 225 H 0.25 0.30 0.19 -0.55 8.24 8.43 1uf2J1 VAL 225 HA -0.06 0.42 1.19 -0.75 4.13 4.93 1uf2J1 VAL 225 HB 0.21 0.08 0.21 -0.04 2.12 2.58 1uf2J1 VAL 225 HG13 -0.09 0.01 -0.13 -0.04 0.97 0.71 1uf2J1 VAL 225 HG23 0.34 -0.02 -0.18 -0.04 0.95 1.05 1uf2J1 TYR 226 H -0.63 0.43 0.25 -0.55 8.29 7.80 1uf2J1 TYR 226 HA -0.15 0.03 0.93 -0.75 4.56 4.61 1uf2J1 TYR 226 HB2 0.01 0.06 0.05 -0.04 3.06 3.14 1uf2J1 TYR 226 HB3 -0.01 0.01 -0.16 -0.04 2.98 2.78 1uf2J1 TYR 226 HD2 0.04 0.06 -0.50 -0.04 7.15 6.72 1uf2J1 TYR 226 HE2 0.06 -0.02 -0.12 -0.04 6.85 6.74 1uf2J1 PHE 227 H 0.21 0.13 0.17 -0.55 8.34 8.30 1uf2J1 PHE 227 HA -0.01 0.23 0.79 -0.75 4.62 4.87 1uf2J1 PHE 227 HB2 0.07 -0.04 0.15 -0.04 3.15 3.28 1uf2J1 PHE 227 HB3 0.05 0.08 0.02 -0.04 3.06 3.18 1uf2J1 PHE 227 HD2 0.05 0.00 -0.07 -0.04 7.28 7.22 1uf2J1 PHE 227 HE2 0.01 0.00 -0.07 -0.04 7.38 7.27 1uf2J1 PHE 227 HZ -0.08 -0.03 -0.04 -0.04 7.32 7.14 1uf2J1 THR 228 H 0.14 0.61 0.31 -0.55 8.28 8.79 1uf2J1 THR 228 HA 0.19 0.20 0.83 -0.75 4.39 4.86 1uf2J1 THR 228 HB 0.43 0.05 -0.19 -0.04 4.32 4.57 1uf2J1 THR 228 HG23 0.06 0.03 -0.16 -0.04 1.22 1.10 1uf2J1 ASN 229 H 0.11 0.06 0.09 -0.55 8.53 8.24 1uf2J1 ASN 229 HA 0.08 0.21 0.55 -0.75 4.76 4.84 1uf2J1 ASN 229 HB2 0.05 0.22 0.18 -0.04 2.88 3.29 1uf2J1 ASN 229 HB3 0.06 0.02 -0.25 -0.04 2.79 2.58 1uf2J1 ASN 229 HD21 0.04 -0.02 -0.11 -0.04 7.03 6.90 1uf2J1 ASN 229 HD22 0.06 -0.08 -0.04 -0.04 7.74 7.63 1uf2J1 SER 230 H 0.12 0.09 0.07 -0.55 8.46 8.18 1uf2J1 SER 230 HA 0.12 0.50 1.01 -0.75 4.49 5.36 1uf2J1 SER 230 HB2 0.07 0.06 -0.17 -0.04 3.95 3.87 1uf2J1 SER 230 HB3 0.09 -0.04 -0.02 -0.04 3.93 3.91 1uf2J1 PHE 231 H 0.18 0.38 0.11 -0.55 8.34 8.46 1uf2J1 PHE 231 HA 0.03 0.05 0.58 -0.75 4.62 4.52 1uf2J1 PHE 231 HB2 0.10 0.11 -0.28 -0.04 3.15 3.04 1uf2J1 PHE 231 HB3 0.10 0.10 -0.10 -0.04 3.06 3.11 1uf2J1 PHE 231 HD2 0.08 0.00 -0.14 -0.04 7.28 7.18 1uf2J1 PHE 231 HE2 0.09 -0.01 -0.20 -0.04 7.38 7.22 1uf2J1 PHE 231 HZ 0.09 -0.02 -0.23 -0.04 7.32 7.12 1uf2J1 PHE 232 H -0.33 0.15 0.02 -0.55 8.34 7.63 1uf2J1 PHE 232 HA -0.22 -0.02 0.30 -0.75 4.62 3.92 1uf2J1 PHE 232 HB2 -0.86 0.14 -0.41 -0.04 3.15 1.97 1uf2J1 PHE 232 HB3 -0.29 0.05 0.22 -0.04 3.06 3.00 1uf2J1 PHE 232 HD2 -0.96 0.04 -0.06 -0.04 7.28 6.26 1uf2J1 PHE 232 HE2 -0.12 0.17 0.06 -0.04 7.38 7.44 1uf2J1 PHE 232 HZ -0.09 0.02 -0.01 -0.04 7.32 7.19 1uf2J1 GLY 233 H -0.01 -0.04 -0.36 -0.55 8.43 7.48 1uf2J1 GLY 233 HA2 0.02 -0.01 0.18 -0.51 4.01 3.69 1uf2J1 GLY 233 HA3 0.03 0.14 0.49 -0.51 4.01 4.16 1uf2J1 THR 234 H 0.08 -0.06 -0.26 -0.55 8.28 7.50 1uf2J1 THR 234 HA 0.06 0.16 0.85 -0.75 4.39 4.71 1uf2J1 THR 234 HB 0.14 0.21 -0.03 -0.04 4.32 4.60 1uf2J1 THR 234 HG23 0.10 0.00 -0.24 -0.04 1.22 1.04 1uf2J1 ILE 235 H 0.05 0.13 0.09 -0.55 8.25 7.97 1uf2J1 ILE 235 HA 0.06 0.12 0.52 -0.75 4.18 4.13 1uf2J1 ILE 235 HB 0.03 -0.01 0.07 -0.04 1.89 1.94 1uf2J1 ILE 235 HG12 0.03 -0.05 0.05 -0.04 1.49 1.49 1uf2J1 ILE 235 HG13 0.02 0.01 -0.00 -0.04 1.21 1.20 1uf2J1 ILE 235 HG23 0.03 0.01 -0.25 -0.04 0.93 0.67 1uf2J1 ILE 235 HD13 0.04 -0.01 -0.12 -0.04 0.88 0.75 1uf2J1 ILE 236 H 0.06 0.78 0.33 -0.55 8.25 8.87 1uf2J1 ILE 236 HA 0.02 0.22 0.59 -0.75 4.18 4.26 1uf2J1 ILE 236 HB 0.06 -0.11 -0.03 -0.04 1.89 1.77 1uf2J1 ILE 236 HG12 0.07 0.04 -0.26 -0.04 1.49 1.30 1uf2J1 ILE 236 HG13 0.15 -0.04 -0.50 -0.04 1.21 0.77 1uf2J1 ILE 236 HG23 -0.05 0.01 -0.30 -0.04 0.93 0.55 1uf2J1 ILE 236 HD13 0.16 -0.04 -0.37 -0.04 0.88 0.59 1uf2J1 ALA 237 H -0.03 0.74 0.20 -0.55 8.40 8.76 1uf2J1 ALA 237 HA -0.01 0.05 0.68 -0.75 4.34 4.30 1uf2J1 ALA 237 HB3 -0.02 0.01 -0.21 -0.04 1.41 1.15 1uf2J1 GLY 238 H -0.02 0.10 0.13 -0.55 8.43 8.09 1uf2J1 GLY 238 HA2 -0.02 0.07 0.33 -0.51 4.01 3.87 1uf2J1 GLY 238 HA3 -0.05 0.02 0.42 -0.51 4.01 3.89 1uf2J1 VAL 239 H -0.01 0.17 -0.10 -0.55 8.24 7.74 1uf2J1 VAL 239 HA 0.00 0.16 0.52 -0.75 4.13 4.06 1uf2J1 VAL 239 HB 0.01 0.03 -0.25 -0.04 2.12 1.87 1uf2J1 VAL 239 HG13 0.05 -0.04 -0.35 -0.04 0.97 0.60 1uf2J1 VAL 239 HG23 -0.06 0.02 -0.60 -0.04 0.95 0.27 1uf2J1 THR 240 H 0.01 0.92 0.15 -0.55 8.28 8.81 1uf2J1 THR 240 HA 0.00 0.16 0.98 -0.75 4.39 4.78 1uf2J1 THR 240 HB -0.03 -0.07 -0.02 -0.04 4.32 4.16 1uf2J1 THR 240 HG23 -0.01 0.05 -0.14 -0.04 1.22 1.08 1uf2J1 ALA 241 H 0.01 0.19 -0.04 -0.55 8.40 8.01 1uf2J1 ALA 241 HA -0.00 0.18 0.72 -0.75 4.34 4.49 1uf2J1 ALA 241 HB3 0.08 0.02 -0.05 -0.04 1.41 1.42 1uf2J1 THR 242 H -0.09 0.29 -0.35 -0.55 8.28 7.58 1uf2J1 THR 242 HA -0.02 0.21 0.97 -0.75 4.39 4.80 1uf2J1 THR 242 HB -0.05 0.00 -0.04 -0.04 4.32 4.19 1uf2J1 THR 242 HG23 -0.02 0.01 0.00 -0.04 1.22 1.17 1uf2J1 ALA 243 H -0.02 0.30 0.22 -0.55 8.40 8.35 1uf2J1 ALA 243 HA -0.04 0.06 0.37 -0.75 4.34 3.97 1uf2J1 ALA 243 HB3 -0.02 0.06 -0.02 -0.04 1.41 1.39 1uf2J1 THR 244 H -0.01 0.27 0.21 -0.55 8.28 8.21 1uf2J1 THR 244 HA -0.00 0.20 0.77 -0.75 4.39 4.61 1uf2J1 THR 244 HB -0.00 -0.10 0.05 -0.04 4.32 4.23 1uf2J1 THR 244 HG23 -0.00 0.01 0.07 -0.04 1.22 1.25 1uf2J1 ALA 245 H 0.00 0.18 0.15 -0.55 8.40 8.19 1uf2J1 ALA 245 HA 0.01 0.11 0.31 -0.75 4.34 4.02 1uf2J1 ALA 245 HB3 0.00 0.01 0.11 -0.04 1.41 1.49 1uf2J1 ALA 246 H 0.00 -0.16 -0.81 -0.55 8.40 6.88 1uf2J1 ALA 246 HA 0.01 0.16 0.69 -0.75 4.34 4.44 1uf2J1 ALA 246 HB3 0.00 -0.03 -0.01 -0.04 1.41 1.34 1uf2J1 ASP 247 H 0.00 0.06 0.07 -0.55 8.40 7.98 1uf2J1 ASP 247 HA -0.00 -0.06 0.33 -0.75 4.63 4.15 1uf2J1 ASP 247 HB2 0.01 0.07 0.04 -0.04 2.71 2.80 1uf2J1 ASP 247 HB3 -0.00 0.07 0.05 -0.04 2.70 2.78 1uf2J1 ALA 248 H 0.01 0.06 0.11 -0.55 8.40 8.03 1uf2J1 ALA 248 HA 0.02 0.14 0.66 -0.75 4.34 4.40 1uf2J1 ALA 248 HB3 0.01 0.01 0.14 -0.04 1.41 1.53 1uf2J1 ALA 249 H 0.02 0.07 0.15 -0.55 8.40 8.10 1uf2J1 ALA 249 HA 0.05 0.07 0.34 -0.75 4.34 4.04 1uf2J1 ALA 249 HB3 0.02 0.00 0.06 -0.04 1.41 1.45 1uf2J1 THR 250 H 0.08 0.21 0.14 -0.55 8.28 8.16 1uf2J1 THR 250 HA 0.07 0.31 1.00 -0.75 4.39 5.02 1uf2J1 THR 250 HB 0.17 -0.01 0.23 -0.04 4.32 4.67 1uf2J1 THR 250 HG23 0.21 0.01 -0.09 -0.04 1.22 1.31 1uf2J1 THR 251 H 0.05 0.27 0.07 -0.55 8.28 8.12 1uf2J1 THR 251 HA 0.02 0.16 0.79 -0.75 4.39 4.61 1uf2J1 THR 251 HB -0.06 -0.06 -0.07 -0.04 4.32 4.09 1uf2J1 THR 251 HG23 0.00 0.01 -0.15 -0.04 1.22 1.04 1uf2J1 PHE 252 H -0.19 0.33 0.27 -0.55 8.34 8.20 1uf2J1 PHE 252 HA 0.01 0.22 0.72 -0.75 4.62 4.81 1uf2J1 PHE 252 HB2 -0.01 -0.02 -0.01 -0.04 3.15 3.07 1uf2J1 PHE 252 HB3 -0.02 0.02 -0.27 -0.04 3.06 2.75 1uf2J1 PHE 252 HD2 -0.15 0.04 -0.29 -0.04 7.28 6.84 1uf2J1 PHE 252 HE2 -0.49 -0.01 -0.21 -0.04 7.38 6.62 1uf2J1 PHE 252 HZ -1.39 -0.06 -0.17 -0.04 7.32 5.66 1uf2J1 THR 253 H 0.20 0.58 0.35 -0.55 8.28 8.86 1uf2J1 THR 253 HA -0.14 0.17 0.91 -0.75 4.39 4.58 1uf2J1 THR 253 HB -0.01 0.18 0.07 -0.04 4.32 4.51 1uf2J1 THR 253 HG23 -0.05 0.01 -0.26 -0.04 1.22 0.88 1uf2J1 VAL 254 H -0.01 0.42 0.30 -0.55 8.24 8.40 1uf2J1 VAL 254 HA 0.04 0.32 0.94 -0.75 4.13 4.67 1uf2J1 VAL 254 HB 0.06 -0.08 0.13 -0.04 2.12 2.19 1uf2J1 VAL 254 HG13 0.06 0.05 0.20 -0.04 0.97 1.23 1uf2J1 VAL 254 HG23 0.08 -0.00 -0.20 -0.04 0.95 0.79 1uf2J1 PRO 255 HA 0.01 0.13 0.44 -0.51 4.44 4.51 1uf2J1 PRO 255 HB2 0.01 -0.03 0.13 -0.04 2.28 2.34 1uf2J1 PRO 255 HB3 0.00 0.07 0.10 -0.04 2.02 2.16 1uf2J1 PRO 255 HG2 0.00 0.11 0.08 -0.04 2.03 2.18 1uf2J1 PRO 255 HG3 0.01 0.07 0.07 -0.04 2.03 2.13 1uf2J1 PRO 255 HD2 0.01 -0.08 0.32 -0.04 3.68 3.89 1uf2J1 PRO 255 HD3 0.02 0.44 0.34 -0.04 3.65 4.41 1uf2J1 THR 256 H 0.02 0.05 -0.09 -0.55 8.28 7.71 1uf2J1 THR 256 HA 0.01 0.09 0.35 -0.75 4.39 4.09 1uf2J1 THR 256 HB 0.02 0.04 0.09 -0.04 4.32 4.43 1uf2J1 THR 256 HG23 0.02 -0.02 0.05 -0.04 1.22 1.24 1uf2J1 ASP 257 H 0.02 0.27 -0.41 -0.55 8.40 7.73 1uf2J1 ASP 257 HA 0.00 0.13 1.03 -0.75 4.63 5.04 1uf2J1 ASP 257 HB2 0.03 -0.09 -0.01 -0.04 2.71 2.61 1uf2J1 ASP 257 HB3 -0.02 0.06 0.13 -0.04 2.70 2.84 1uf2J1 ALA 258 H -0.01 0.12 0.17 -0.55 8.40 8.14 1uf2J1 ALA 258 HA -0.01 0.15 0.45 -0.75 4.34 4.18 1uf2J1 ALA 258 HB3 -0.01 -0.01 0.11 -0.04 1.41 1.47 1uf2J1 ASN 259 H -0.03 -0.01 -0.22 -0.55 8.53 7.72 1uf2J1 ASN 259 HA -0.03 0.20 0.90 -0.75 4.76 5.08 1uf2J1 ASN 259 HB2 -0.04 0.02 -0.01 -0.04 2.88 2.80 1uf2J1 ASN 259 HB3 -0.04 -0.02 0.13 -0.04 2.79 2.82 1uf2J1 ASN 259 HD21 -0.01 0.02 -0.01 -0.04 7.03 6.98 1uf2J1 ASN 259 HD22 -0.02 -0.02 0.03 -0.04 7.74 7.69 1uf2J1 ASN 260 H -0.06 0.08 0.15 -0.55 8.53 8.15 1uf2J1 ASN 260 HA -0.15 0.20 0.63 -0.75 4.76 4.70 1uf2J1 ASN 260 HB2 -0.06 -0.03 0.09 -0.04 2.88 2.83 1uf2J1 ASN 260 HB3 -0.09 -0.03 -0.04 -0.04 2.79 2.59 1uf2J1 ASN 260 HD21 -0.02 0.04 0.01 -0.04 7.03 7.02 1uf2J1 ASN 260 HD22 -0.03 -0.05 0.09 -0.04 7.74 7.71 1uf2J1 LEU 261 H -0.48 0.89 0.42 -0.55 8.37 8.65 1uf2J1 LEU 261 HA -0.30 0.14 0.81 -0.75 4.35 4.25 1uf2J1 LEU 261 HB2 -2.27 0.06 0.14 -0.04 1.64 -0.47 1uf2J1 LEU 261 HB3 -1.17 0.02 -0.03 -0.04 1.64 0.41 1uf2J1 LEU 261 HG -0.67 -0.08 -0.07 -0.04 1.64 0.77 1uf2J1 LEU 261 HD13 0.03 0.00 -0.11 -0.04 0.93 0.81 1uf2J1 LEU 261 HD23 -0.23 0.05 -0.22 -0.04 0.89 0.45 1uf2J1 PRO 262 HA -0.03 0.06 0.54 -0.51 4.44 4.51 1uf2J1 PRO 262 HB2 0.01 0.04 -0.06 -0.04 2.28 2.23 1uf2J1 PRO 262 HB3 -0.02 -0.01 0.03 -0.04 2.02 1.99 1uf2J1 PRO 262 HG2 0.01 0.01 0.05 -0.04 2.03 2.06 1uf2J1 PRO 262 HG3 -0.01 0.01 0.04 -0.04 2.03 2.03 1uf2J1 PRO 262 HD2 -0.10 0.08 0.26 -0.04 3.68 3.87 1uf2J1 PRO 262 HD3 -0.09 0.24 0.09 -0.04 3.65 3.85 1uf2J1 VAL 263 H 0.04 0.37 0.31 -0.55 8.24 8.41 1uf2J1 VAL 263 HA 0.06 0.26 1.08 -0.75 4.13 4.77 1uf2J1 VAL 263 HB -0.08 0.11 0.13 -0.04 2.12 2.25 1uf2J1 VAL 263 HG13 -0.49 -0.00 -0.18 -0.04 0.97 0.26 1uf2J1 VAL 263 HG23 0.10 -0.01 -0.19 -0.04 0.95 0.82 1uf2J1 GLN 264 H 0.03 0.77 0.50 -0.55 8.47 9.22 1uf2J1 GLN 264 HA 0.10 -0.03 0.39 -0.75 4.36 4.07 1uf2J1 GLN 264 HB2 0.14 -0.06 -0.21 -0.04 2.15 1.98 1uf2J1 GLN 264 HB3 0.11 0.12 0.33 -0.04 2.02 2.54 1uf2J1 GLN 264 HG2 0.17 -0.00 0.03 -0.04 2.40 2.55 1uf2J1 GLN 264 HG3 0.09 -0.00 0.11 -0.04 2.39 2.55 1uf2J1 GLN 264 HE21 0.19 0.10 0.04 -0.04 6.97 7.27 1uf2J1 GLN 264 HE22 0.11 -0.00 -0.02 -0.04 7.69 7.74 1uf2J1 THR 265 H 0.09 0.22 -0.04 -0.55 8.28 8.00 1uf2J1 THR 265 HA 0.04 0.21 0.91 -0.75 4.39 4.79 1uf2J1 THR 265 HB 0.08 0.03 -0.08 -0.04 4.32 4.31 1uf2J1 THR 265 HG23 0.04 -0.02 0.03 -0.04 1.22 1.23 1uf2J1 ASP 266 H 0.03 0.16 0.11 -0.55 8.40 8.15 1uf2J1 ASP 266 HA -0.07 0.13 0.44 -0.75 4.63 4.37 1uf2J1 ASP 266 HB2 0.02 -0.02 0.09 -0.04 2.71 2.75 1uf2J1 ASP 266 HB3 0.03 0.01 0.09 -0.04 2.70 2.79 1uf2J1 SER 267 H 0.10 -0.07 -0.55 -0.55 8.46 7.39 1uf2J1 SER 267 HA 0.10 0.04 0.49 -0.75 4.49 4.37 1uf2J1 SER 267 HB2 0.07 0.02 -0.03 -0.04 3.95 3.97 1uf2J1 SER 267 HB3 0.05 0.07 -0.02 -0.04 3.93 3.99 1uf2J1 ARG 268 H 0.05 0.09 0.17 -0.55 8.46 8.22 1uf2J1 ARG 268 HA -0.11 0.25 0.62 -0.75 4.34 4.35 1uf2J1 ARG 268 HB2 -0.05 -0.04 0.16 -0.04 1.90 1.94 1uf2J1 ARG 268 HB3 -0.14 -0.09 -0.01 -0.04 1.80 1.53 1uf2J1 ARG 268 HG2 -0.48 0.08 -0.14 -0.04 1.67 1.09 1uf2J1 ARG 268 HG3 -0.03 0.01 0.01 -0.04 1.67 1.62 1uf2J1 ARG 268 HD2 -0.08 -0.02 0.00 -0.04 3.22 3.08 1uf2J1 ARG 268 HD3 -0.16 -0.07 0.01 -0.04 3.22 2.96 1uf2J1 LEU 269 H -0.02 0.84 0.39 -0.55 8.37 9.04 1uf2J1 LEU 269 HA 0.03 0.19 0.97 -0.75 4.35 4.79 1uf2J1 LEU 269 HB2 0.22 0.04 0.01 -0.04 1.64 1.87 1uf2J1 LEU 269 HB3 0.29 -0.06 -0.05 -0.04 1.64 1.78 1uf2J1 LEU 269 HG 0.11 0.13 -0.26 -0.04 1.64 1.58 1uf2J1 LEU 269 HD13 0.14 0.01 -0.04 -0.04 0.93 1.00 1uf2J1 LEU 269 HD23 0.03 0.01 -0.12 -0.04 0.89 0.77 1uf2J1 SER 270 H 0.05 0.26 0.09 -0.55 8.46 8.31 1uf2J1 SER 270 HA -0.25 0.33 0.77 -0.75 4.49 4.58 1uf2J1 SER 270 HB2 -0.09 0.11 0.17 -0.04 3.95 4.09 1uf2J1 SER 270 HB3 -0.11 -0.22 0.13 -0.04 3.93 3.69 1uf2J1 PHE 271 H -0.63 0.28 0.17 -0.55 8.34 7.61 1uf2J1 PHE 271 HA -0.00 0.18 0.79 -0.75 4.62 4.83 1uf2J1 PHE 271 HB2 0.07 -0.06 0.08 -0.04 3.15 3.19 1uf2J1 PHE 271 HB3 0.02 0.05 -0.11 -0.04 3.06 2.98 1uf2J1 PHE 271 HD2 0.09 -0.03 -0.36 -0.04 7.28 6.94 1uf2J1 PHE 271 HE2 0.13 0.02 -0.22 -0.04 7.38 7.27 1uf2J1 PHE 271 HZ 0.06 -0.01 -0.19 -0.04 7.32 7.15 1uf2J1 SER 272 H 0.26 0.18 0.16 -0.55 8.46 8.50 1uf2J1 SER 272 HA 0.07 0.17 1.04 -0.75 4.49 5.02 1uf2J1 SER 272 HB2 0.02 0.10 -0.10 -0.04 3.95 3.93 1uf2J1 SER 272 HB3 0.05 -0.05 0.09 -0.04 3.93 3.98 1uf2J1 LEU 273 H 0.09 0.50 0.10 -0.55 8.37 8.51 1uf2J1 LEU 273 HA 0.07 0.05 0.64 -0.75 4.35 4.36 1uf2J1 LEU 273 HB2 0.00 0.19 0.10 -0.04 1.64 1.90 1uf2J1 LEU 273 HB3 -0.04 -0.03 0.14 -0.04 1.64 1.67 1uf2J1 LEU 273 HG 0.20 -0.05 -0.13 -0.04 1.64 1.62 1uf2J1 LEU 273 HD13 0.13 0.00 -0.07 -0.04 0.93 0.95 1uf2J1 LEU 273 HD23 0.20 -0.01 -0.22 -0.04 0.89 0.81 1uf2J1 GLY 274 H 0.03 0.08 -0.60 -0.55 8.43 7.39 1uf2J1 GLY 274 HA2 -0.03 0.52 0.73 -0.51 4.01 4.72 1uf2J1 GLY 274 HA3 -0.01 -0.00 0.28 -0.51 4.01 3.77 1uf2J1 GLY 275 H 0.00 0.08 -0.13 -0.55 8.43 7.84 1uf2J1 GLY 275 HA2 -0.01 0.13 0.50 -0.51 4.01 4.13 1uf2J1 GLY 275 HA3 -0.00 -0.08 0.40 -0.51 4.01 3.82 1uf2J1 GLY 276 H -0.04 0.10 -0.32 -0.55 8.43 7.62 1uf2J1 GLY 276 HA2 -0.09 0.13 0.30 -0.51 4.01 3.85 1uf2J1 GLY 276 HA3 -0.05 0.20 0.75 -0.51 4.01 4.41 1uf2J1 ASN 277 H -0.03 0.11 -0.16 -0.55 8.53 7.91 1uf2J1 ASN 277 HA -0.04 0.02 0.92 -0.75 4.76 4.91 1uf2J1 ASN 277 HB2 0.02 0.11 0.04 -0.04 2.88 3.01 1uf2J1 ASN 277 HB3 -0.01 0.07 -0.26 -0.04 2.79 2.54 1uf2J1 ASN 277 HD21 -0.00 -0.00 -0.06 -0.04 7.03 6.93 1uf2J1 ASN 277 HD22 -0.01 0.06 -0.19 -0.04 7.74 7.56 1uf2J1 ILE 278 H 0.01 0.37 0.21 -0.55 8.25 8.29 1uf2J1 ILE 278 HA -0.01 0.23 0.94 -0.75 4.18 4.59 1uf2J1 ILE 278 HB -0.24 -0.04 0.09 -0.04 1.89 1.66 1uf2J1 ILE 278 HG12 -0.21 0.02 -0.13 -0.04 1.49 1.13 1uf2J1 ILE 278 HG13 -0.17 -0.06 -0.15 -0.04 1.21 0.78 1uf2J1 ILE 278 HG23 -0.29 -0.00 -0.24 -0.04 0.93 0.36 1uf2J1 ILE 278 HD13 -0.76 0.00 -0.14 -0.04 0.88 -0.06 1uf2J1 ASN 279 H 0.10 0.76 0.31 -0.55 8.53 9.16 1uf2J1 ASN 279 HA 0.18 0.17 0.93 -0.75 4.76 5.28 1uf2J1 ASN 279 HB2 0.08 0.03 -0.05 -0.04 2.88 2.89 1uf2J1 ASN 279 HB3 0.09 -0.07 0.16 -0.04 2.79 2.93 1uf2J1 ASN 279 HD21 0.07 -0.00 -0.14 -0.04 7.03 6.91 1uf2J1 ASN 279 HD22 0.07 -0.03 -0.12 -0.04 7.74 7.62 1uf2J1 LEU 280 H 0.34 0.58 0.21 -0.55 8.37 8.95 1uf2J1 LEU 280 HA 0.23 0.17 1.01 -0.75 4.35 5.01 1uf2J1 LEU 280 HB2 0.20 -0.03 -0.06 -0.04 1.64 1.71 1uf2J1 LEU 280 HB3 0.44 0.07 0.10 -0.04 1.64 2.21 1uf2J1 LEU 280 HG 0.10 -0.07 -0.41 -0.04 1.64 1.21 1uf2J1 LEU 280 HD13 0.08 0.05 -0.10 -0.04 0.93 0.92 1uf2J1 LEU 280 HD23 0.16 -0.01 -0.12 -0.04 0.89 0.89 1uf2J1 GLU 281 H 0.14 0.69 0.21 -0.55 8.60 9.10 1uf2J1 GLU 281 HA 0.20 0.01 0.89 -0.75 4.29 4.64 1uf2J1 GLU 281 HB2 0.11 0.67 0.26 -0.04 2.09 3.09 1uf2J1 GLU 281 HB3 0.13 -0.12 -0.16 -0.04 1.99 1.79 1uf2J1 GLU 281 HG2 0.08 -0.05 -0.04 -0.04 2.34 2.29 1uf2J1 GLU 281 HG3 0.07 -0.04 0.07 -0.04 2.34 2.39 1uf2J1 LEU 282 H 0.01 0.07 -0.02 -0.55 8.37 7.88 1uf2J1 LEU 282 HA -0.00 0.06 0.56 -0.75 4.35 4.21 1uf2J1 LEU 282 HB2 -0.16 -0.06 0.04 -0.04 1.64 1.42 1uf2J1 LEU 282 HB3 -0.18 0.08 -0.02 -0.04 1.64 1.48 1uf2J1 LEU 282 HG -0.50 -0.05 -0.05 -0.04 1.64 1.01 1uf2J1 LEU 282 HD13 -1.08 0.04 -0.01 -0.04 0.93 -0.16 1uf2J1 LEU 282 HD23 -0.33 0.01 -0.07 -0.04 0.89 0.46 1uf2J1 GLY 283 H 0.02 0.14 0.16 -0.55 8.43 8.20 1uf2J1 GLY 283 HA2 0.02 0.15 0.64 -0.51 4.01 4.31 1uf2J1 GLY 283 HA3 0.02 0.20 0.19 -0.51 4.01 3.91 1uf2J1 VAL 284 H -0.05 0.16 -0.01 -0.55 8.24 7.79 1uf2J1 VAL 284 HA -0.02 0.10 0.75 -0.75 4.13 4.21 1uf2J1 VAL 284 HB -0.06 0.00 0.05 -0.04 2.12 2.08 1uf2J1 VAL 284 HG13 -0.04 0.07 -0.08 -0.04 0.97 0.88 1uf2J1 VAL 284 HG23 -0.01 -0.01 -0.13 -0.04 0.95 0.76 1uf2J1 ALA 285 H -0.02 0.06 0.04 -0.55 8.40 7.93 1uf2J1 ALA 285 HA -0.06 0.30 0.31 -0.75 4.34 4.14 1uf2J1 ALA 285 HB3 -0.00 -0.06 -0.11 -0.04 1.41 1.19 1uf2J1 LYS 286 H -0.05 0.37 0.30 -0.55 8.42 8.48 1uf2J1 LYS 286 HA -0.05 0.14 0.81 -0.75 4.32 4.46 1uf2J1 LYS 286 HB2 -0.06 -0.05 -0.02 -0.04 1.87 1.70 1uf2J1 LYS 286 HB3 -0.06 0.09 -0.06 -0.04 1.79 1.71 1uf2J1 LYS 286 HG2 -0.17 0.07 -0.10 -0.04 1.46 1.23 1uf2J1 LYS 286 HG3 -0.22 0.16 -0.23 -0.04 1.46 1.13 1uf2J1 LYS 286 HD2 -0.45 -0.10 -0.01 -0.04 1.69 1.09 1uf2J1 LYS 286 HD3 -0.34 0.12 0.07 -0.04 1.68 1.48 1uf2J1 LYS 286 HE2 -0.55 -0.06 0.02 -0.04 2.99 2.36 1uf2J1 LYS 286 HE3 -1.46 -0.06 0.02 -0.04 2.99 1.45 1uf2J1 THR 287 H -0.01 0.18 0.03 -0.55 8.28 7.92 1uf2J1 THR 287 HA 0.02 0.04 0.18 -0.75 4.39 3.88 1uf2J1 THR 287 HB -0.00 0.01 0.08 -0.04 4.32 4.36 1uf2J1 THR 287 HG23 0.00 0.02 -0.16 -0.04 1.22 1.04 1uf2J1 GLY 288 H 0.09 0.50 -0.39 -0.55 8.43 8.09 1uf2J1 GLY 288 HA2 0.08 0.17 0.52 -0.51 4.01 4.27 1uf2J1 GLY 288 HA3 0.02 0.44 0.89 -0.51 4.01 4.85 1uf2J1 PHE 289 H -0.03 0.42 0.23 -0.55 8.34 8.41 1uf2J1 PHE 289 HA -0.01 0.20 0.97 -0.75 4.62 5.03 1uf2J1 PHE 289 HB2 0.02 0.01 -0.00 -0.04 3.15 3.15 1uf2J1 PHE 289 HB3 -0.09 -0.01 -0.12 -0.04 3.06 2.80 1uf2J1 PHE 289 HD2 0.03 0.00 -0.06 -0.04 7.28 7.22 1uf2J1 PHE 289 HE2 -0.07 0.05 -0.01 -0.04 7.38 7.31 1uf2J1 PHE 289 HZ 0.32 0.04 -0.06 -0.04 7.32 7.58 1uf2J1 CYS 290 H 0.20 0.28 0.08 -0.55 8.50 8.51 1uf2J1 CYS 290 HA -0.18 0.13 0.85 -0.75 4.58 4.63 1uf2J1 CYS 290 HB2 0.15 0.02 -0.25 -0.04 2.97 2.85 1uf2J1 CYS 290 HB3 0.08 0.27 0.06 -0.04 2.97 3.35 1uf2J1 VAL 291 H -0.60 0.64 0.31 -0.55 8.24 8.04 1uf2J1 VAL 291 HA -0.38 0.11 0.76 -0.75 4.13 3.86 1uf2J1 VAL 291 HB -1.84 0.04 0.06 -0.04 2.12 0.34 1uf2J1 VAL 291 HG13 -0.52 0.00 -0.15 -0.04 0.97 0.26 1uf2J1 VAL 291 HG23 -0.38 -0.01 -0.08 -0.04 0.95 0.44 1uf2J1 ALA 292 H -0.45 0.55 0.35 -0.55 8.40 8.30 1uf2J1 ALA 292 HA -0.26 0.32 1.05 -0.75 4.34 4.70 1uf2J1 ALA 292 HB3 -0.46 -0.02 -0.03 -0.04 1.41 0.85 1uf2J1 ILE 293 H -0.06 0.73 0.33 -0.55 8.25 8.70 1uf2J1 ILE 293 HA 0.03 0.19 0.85 -0.75 4.18 4.50 1uf2J1 ILE 293 HB 0.25 -0.09 0.16 -0.04 1.89 2.16 1uf2J1 ILE 293 HG12 0.23 0.05 -0.16 -0.04 1.49 1.56 1uf2J1 ILE 293 HG13 0.06 -0.03 -0.40 -0.04 1.21 0.81 1uf2J1 ILE 293 HG23 0.19 -0.00 -0.22 -0.04 0.93 0.85 1uf2J1 ILE 293 HD13 0.27 -0.01 -0.18 -0.04 0.88 0.92 1uf2J1 GLU 294 H 0.06 0.66 0.22 -0.55 8.60 9.00 1uf2J1 GLU 294 HA 0.17 0.20 1.05 -0.75 4.29 4.95 1uf2J1 GLU 294 HB2 0.16 -0.08 -0.03 -0.04 2.09 2.09 1uf2J1 GLU 294 HB3 0.29 0.01 0.20 -0.04 1.99 2.46 1uf2J1 GLU 294 HG2 0.14 0.03 -0.13 -0.04 2.34 2.34 1uf2J1 GLU 294 HG3 0.13 0.18 0.07 -0.04 2.34 2.68 1uf2J1 GLY 295 H 0.02 0.37 0.18 -0.55 8.43 8.45 1uf2J1 GLY 295 HA2 -0.13 0.19 0.54 -0.51 4.01 4.11 1uf2J1 GLY 295 HA3 -0.28 -0.01 0.26 -0.51 4.01 3.47 1uf2J1 GLU 296 H -0.29 0.63 0.26 -0.55 8.60 8.64 1uf2J1 GLU 296 HA -0.07 0.12 0.90 -0.75 4.29 4.49 1uf2J1 GLU 296 HB2 -0.12 0.05 0.15 -0.04 2.09 2.13 1uf2J1 GLU 296 HB3 -0.13 -0.06 0.11 -0.04 1.99 1.88 1uf2J1 GLU 296 HG2 -0.04 0.01 -0.01 -0.04 2.34 2.26 1uf2J1 GLU 296 HG3 -0.02 0.05 0.01 -0.04 2.34 2.34 1uf2J1 PHE 297 H 0.13 0.21 0.23 -0.55 8.34 8.35 1uf2J1 PHE 297 HA -0.05 0.34 1.20 -0.75 4.62 5.36 1uf2J1 PHE 297 HB2 0.01 0.17 0.25 -0.04 3.15 3.54 1uf2J1 PHE 297 HB3 0.00 -0.02 -0.02 -0.04 3.06 2.98 1uf2J1 PHE 297 HD2 -0.01 0.06 -0.12 -0.04 7.28 7.17 1uf2J1 PHE 297 HE2 -0.01 0.01 -0.18 -0.04 7.38 7.16 1uf2J1 PHE 297 HZ -0.00 -0.03 -0.14 -0.04 7.32 7.12 1uf2J1 THR 298 H 0.05 0.63 0.41 -0.55 8.28 8.83 1uf2J1 THR 298 HA 0.06 0.27 0.95 -0.75 4.39 4.91 1uf2J1 THR 298 HB 0.04 0.24 0.02 -0.04 4.32 4.58 1uf2J1 THR 298 HG23 -0.00 -0.00 -0.30 -0.04 1.22 0.87 1uf2J1 ILE 299 H 0.04 0.32 0.11 -0.55 8.25 8.17 1uf2J1 ILE 299 HA 0.02 0.15 0.83 -0.75 4.18 4.42 1uf2J1 ILE 299 HB 0.04 0.02 0.07 -0.04 1.89 1.97 1uf2J1 ILE 299 HG12 -0.03 0.01 -0.18 -0.04 1.49 1.25 1uf2J1 ILE 299 HG13 -0.01 -0.03 -0.22 -0.04 1.21 0.91 1uf2J1 ILE 299 HG23 0.02 0.02 -0.23 -0.04 0.93 0.70 1uf2J1 ILE 299 HD13 -0.14 -0.02 -0.09 -0.04 0.88 0.59 1uf2J1 LEU 300 H -0.01 0.79 0.22 -0.55 8.37 8.83 1uf2J1 LEU 300 HA -0.08 -0.01 0.31 -0.75 4.35 3.82 1uf2J1 LEU 300 HB2 -0.03 0.19 0.15 -0.04 1.64 1.90 1uf2J1 LEU 300 HB3 -0.06 0.05 -0.06 -0.04 1.64 1.52 1uf2J1 LEU 300 HG -0.03 0.02 -0.11 -0.04 1.64 1.48 1uf2J1 LEU 300 HD13 -0.03 -0.00 -0.05 -0.04 0.93 0.81 1uf2J1 LEU 300 HD23 -0.07 -0.02 0.04 -0.04 0.89 0.80 1uf2J1 ALA 301 H -0.24 0.08 0.16 -0.55 8.40 7.85 1uf2J1 ALA 301 HA -0.42 0.08 0.45 -0.75 4.34 3.70 1uf2J1 ALA 301 HB3 -0.65 0.01 0.12 -0.04 1.41 0.85 1uf2J1 ASN 302 H -0.05 0.14 0.20 -0.55 8.53 8.27 1uf2J1 ASN 302 HA 0.01 0.00 0.37 -0.75 4.76 4.39 1uf2J1 ASN 302 HB2 -0.04 0.22 -0.10 -0.04 2.88 2.92 1uf2J1 ASN 302 HB3 -0.01 0.01 0.14 -0.04 2.79 2.89 1uf2J1 ASN 302 HD21 0.01 -0.02 -0.06 -0.04 7.03 6.92 1uf2J1 ASN 302 HD22 -0.02 0.05 -0.09 -0.04 7.74 7.64 1uf2J1 ARG 303 H -0.03 0.44 -0.67 -0.55 8.46 7.66 1uf2J1 ARG 303 HA 0.01 0.21 1.01 -0.75 4.34 4.81 1uf2J1 ARG 303 HB2 -0.02 0.13 -0.07 -0.04 1.90 1.90 1uf2J1 ARG 303 HB3 0.00 -0.07 0.11 -0.04 1.80 1.80 1uf2J1 ARG 303 HG2 -0.01 0.03 -0.12 -0.04 1.67 1.52 1uf2J1 ARG 303 HG3 -0.03 0.10 -0.11 -0.04 1.67 1.58 1uf2J1 ARG 303 HD2 -0.02 -0.00 -0.02 -0.04 3.22 3.14 1uf2J1 ARG 303 HD3 -0.01 -0.04 -0.01 -0.04 3.22 3.12 1uf2J1 SER 304 H 0.04 0.12 -0.12 -0.55 8.46 7.96 1uf2J1 SER 304 HA 0.10 0.09 0.38 -0.75 4.49 4.31 1uf2J1 SER 304 HB2 0.22 0.01 0.05 -0.04 3.95 4.19 1uf2J1 SER 304 HB3 0.10 0.13 0.03 -0.04 3.93 4.14 1uf2J1 GLN 305 H 0.06 0.07 -0.73 -0.55 8.47 7.32 1uf2J1 GLN 305 HA 0.08 0.17 0.27 -0.75 4.36 4.13 1uf2J1 GLN 305 HB2 0.04 -0.02 -0.07 -0.04 2.15 2.06 1uf2J1 GLN 305 HB3 0.03 0.10 -0.05 -0.04 2.02 2.06 1uf2J1 GLN 305 HG2 0.03 -0.06 -0.23 -0.04 2.40 2.10 1uf2J1 GLN 305 HG3 0.02 0.08 -0.03 -0.04 2.39 2.42 1uf2J1 GLN 305 HE21 0.02 0.03 -0.31 -0.04 6.97 6.67 1uf2J1 GLN 305 HE22 0.03 -0.10 -0.13 -0.04 7.69 7.44 1uf2J1 ALA 306 H 0.07 0.21 -0.22 -0.55 8.40 7.91 1uf2J1 ALA 306 HA 0.06 0.01 0.21 -0.75 4.34 3.86 1uf2J1 ALA 306 HB3 0.07 0.03 0.01 -0.04 1.41 1.48 1uf2J1 TYR 307 H 0.19 0.18 -0.33 -0.55 8.29 7.78 1uf2J1 TYR 307 HA 0.03 0.03 0.35 -0.75 4.56 4.22 1uf2J1 TYR 307 HB2 -0.03 0.01 0.05 -0.04 3.06 3.05 1uf2J1 TYR 307 HB3 -0.16 0.10 0.06 -0.04 2.98 2.95 1uf2J1 TYR 307 HD2 -0.86 0.07 -0.06 -0.04 7.15 6.26 1uf2J1 TYR 307 HE2 -0.45 0.10 -0.23 -0.04 6.85 6.24 1uf2J1 TYR 308 H 0.13 0.39 -0.11 -0.55 8.29 8.15 1uf2J1 TYR 308 HA -0.62 0.03 0.43 -0.75 4.56 3.65 1uf2J1 TYR 308 HB2 -0.16 0.14 -0.07 -0.04 3.06 2.93 1uf2J1 TYR 308 HB3 -0.39 -0.01 -0.11 -0.04 2.98 2.42 1uf2J1 TYR 308 HD2 -0.67 0.15 0.00 -0.04 7.15 6.59 1uf2J1 TYR 308 HE2 -0.20 -0.03 -0.04 -0.04 6.85 6.53 1uf2J1 THR 309 H 0.05 0.36 -0.38 -0.55 8.28 7.76 1uf2J1 THR 309 HA 0.06 0.28 0.85 -0.75 4.39 4.82 1uf2J1 THR 309 HB 0.05 -0.17 -0.04 -0.04 4.32 4.12 1uf2J1 THR 309 HG23 0.05 0.00 0.03 -0.04 1.22 1.26 1uf2J1 LEU 310 H 0.05 0.34 -0.09 -0.55 8.37 8.12 1uf2J1 LEU 310 HA 0.02 0.04 0.36 -0.75 4.35 4.02 1uf2J1 LEU 310 HB2 0.04 0.33 0.24 -0.04 1.64 2.20 1uf2J1 LEU 310 HB3 0.01 -0.08 0.23 -0.04 1.64 1.77 1uf2J1 LEU 310 HG 0.10 0.05 -0.40 -0.04 1.64 1.36 1uf2J1 LEU 310 HD13 0.03 -0.00 0.00 -0.04 0.93 0.92 1uf2J1 LEU 310 HD23 -0.04 0.02 0.02 -0.04 0.89 0.85 1uf2J1 ASN 311 H 0.04 0.19 -0.26 -0.55 8.53 7.96 1uf2J1 ASN 311 HA 0.03 0.18 0.53 -0.75 4.76 4.75 1uf2J1 ASN 311 HB2 0.04 0.06 -0.04 -0.04 2.88 2.90 1uf2J1 ASN 311 HB3 0.04 -0.05 -0.03 -0.04 2.79 2.70 1uf2J1 ASN 311 HD21 0.02 -0.02 -0.00 -0.04 7.03 6.99 1uf2J1 ASN 311 HD22 0.03 -0.05 -0.08 -0.04 7.74 7.59 1uf2J1 SER 312 H 0.05 0.18 -0.34 -0.55 8.46 7.80 1uf2J1 SER 312 HA 0.05 0.10 0.50 -0.75 4.49 4.38 1uf2J1 SER 312 HB2 0.12 -0.09 0.02 -0.04 3.95 3.96 1uf2J1 SER 312 HB3 0.10 -0.09 -0.17 -0.04 3.93 3.73 1uf2J1 ILE 313 H 0.02 0.28 -0.54 -0.55 8.25 7.46 1uf2J1 ILE 313 HA -0.02 -0.01 0.63 -0.75 4.18 4.03 1uf2J1 ILE 313 HB -0.00 0.17 0.15 -0.04 1.89 2.16 1uf2J1 ILE 313 HG12 -0.04 -0.05 0.01 -0.04 1.49 1.37 1uf2J1 ILE 313 HG13 -0.01 -0.09 0.02 -0.04 1.21 1.09 1uf2J1 ILE 313 HG23 -0.03 -0.02 -0.12 -0.04 0.93 0.73 1uf2J1 ILE 313 HD13 -0.03 0.00 0.04 -0.04 0.88 0.85 1uf2J1 THR 314 H -0.02 0.07 0.25 -0.55 8.28 8.04 1uf2J1 THR 314 HA 0.00 0.24 1.03 -0.75 4.39 4.91 1uf2J1 THR 314 HB 0.00 -0.03 0.14 -0.04 4.32 4.39 1uf2J1 THR 314 HG23 0.01 -0.02 -0.03 -0.04 1.22 1.13 1uf2J1 GLN 315 H -0.02 0.06 0.15 -0.55 8.47 8.12 1uf2J1 GLN 315 HA -0.00 0.15 0.68 -0.75 4.36 4.42 1uf2J1 GLN 315 HB2 -0.02 0.04 -0.04 -0.04 2.15 2.09 1uf2J1 GLN 315 HB3 -0.00 0.01 0.07 -0.04 2.02 2.06 1uf2J1 GLN 315 HG2 -0.00 -0.05 -0.17 -0.04 2.40 2.14 1uf2J1 GLN 315 HG3 0.01 0.18 -0.28 -0.04 2.39 2.26 1uf2J1 GLN 315 HE21 0.01 0.01 -0.09 -0.04 6.97 6.86 1uf2J1 GLN 315 HE22 0.01 -0.13 -0.13 -0.04 7.69 7.40 1uf2J1 THR 316 H -0.01 0.21 0.15 -0.55 8.28 8.08 1uf2J1 THR 316 HA -0.02 0.04 0.59 -0.75 4.39 4.25 1uf2J1 THR 316 HB -0.01 -0.08 0.07 -0.04 4.32 4.26 1uf2J1 THR 316 HG23 -0.02 0.08 -0.01 -0.04 1.22 1.23 1uf2J1 PRO 317 HA -0.02 0.27 0.33 -0.51 4.44 4.51 1uf2J1 PRO 317 HB2 -0.01 0.03 0.09 -0.04 2.28 2.34 1uf2J1 PRO 317 HB3 -0.02 0.06 0.13 -0.04 2.02 2.15 1uf2J1 PRO 317 HG2 -0.01 -0.02 -0.13 -0.04 2.03 1.83 1uf2J1 PRO 317 HG3 -0.01 -0.01 0.05 -0.04 2.03 2.02 1uf2J1 PRO 317 HD2 -0.00 0.07 0.32 -0.04 3.68 4.02 1uf2J1 PRO 317 HD3 -0.01 0.08 0.26 -0.04 3.65 3.94 1uf2J1 THR 318 H -0.02 0.26 0.14 -0.55 8.28 8.11 1uf2J1 THR 318 HA -0.03 0.17 0.77 -0.75 4.39 4.55 1uf2J1 THR 318 HB -0.04 0.27 -0.21 -0.04 4.32 4.30 1uf2J1 THR 318 HG23 -0.05 0.02 -0.15 -0.04 1.22 1.00 1uf2J1 SER 319 H -0.09 0.00 0.28 -0.55 8.46 8.11 1uf2J1 SER 319 HA 0.00 0.10 0.77 -0.75 4.49 4.61 1uf2J1 SER 319 HB2 -0.07 -0.02 0.06 -0.04 3.95 3.88 1uf2J1 SER 319 HB3 0.12 -0.00 0.03 -0.04 3.93 4.04 1uf2J1 ILE 320 H -0.01 0.18 0.22 -0.55 8.25 8.10 1uf2J1 ILE 320 HA -0.06 0.17 0.77 -0.75 4.18 4.32 1uf2J1 ILE 320 HB -0.06 0.05 -0.36 -0.04 1.89 1.47 1uf2J1 ILE 320 HG12 -0.18 0.25 -0.05 -0.04 1.49 1.47 1uf2J1 ILE 320 HG13 -0.17 -0.00 0.11 -0.04 1.21 1.11 1uf2J1 ILE 320 HG23 -0.03 -0.03 -0.02 -0.04 0.93 0.81 1uf2J1 ILE 320 HD13 -0.10 -0.02 -0.08 -0.04 0.88 0.64 1uf2J1 ASP 321 H -0.05 0.25 0.19 -0.55 8.40 8.23 1uf2J1 ASP 321 HA 0.04 0.10 0.70 -0.75 4.63 4.71 1uf2J1 ASP 321 HB2 0.13 -0.19 0.23 -0.04 2.71 2.83 1uf2J1 ASP 321 HB3 0.11 0.20 0.22 -0.04 2.70 3.18 1uf2J1 ASP 322 H 0.12 0.07 0.16 -0.55 8.40 8.20 1uf2J1 ASP 322 HA 0.13 0.40 0.78 -0.75 4.63 5.19 1uf2J1 ASP 322 HB2 0.19 0.03 0.12 -0.04 2.71 3.01 1uf2J1 ASP 322 HB3 0.18 -0.03 0.04 -0.04 2.70 2.85 1uf2J1 PHE 323 H 0.16 0.16 -0.21 -0.55 8.34 7.89 1uf2J1 PHE 323 HA 0.22 0.10 0.25 -0.75 4.62 4.43 1uf2J1 PHE 323 HB2 0.77 0.15 -0.28 -0.04 3.15 3.75 1uf2J1 PHE 323 HB3 0.21 0.02 0.16 -0.04 3.06 3.41 1uf2J1 PHE 323 HD2 -0.67 -0.05 -0.08 -0.04 7.28 6.43 1uf2J1 PHE 323 HE2 -1.06 0.06 -0.11 -0.04 7.38 6.23 1uf2J1 PHE 323 HZ -0.50 0.23 0.00 -0.04 7.32 7.02 1uf2J1 ASP 324 H 0.32 -0.09 -0.34 -0.55 8.40 7.74 1uf2J1 ASP 324 HA 0.26 -0.07 0.21 -0.75 4.63 4.28 1uf2J1 ASP 324 HB2 0.42 0.29 -0.10 -0.04 2.71 3.28 1uf2J1 ASP 324 HB3 0.38 -0.01 0.10 -0.04 2.70 3.13 1uf2J1 VAL 325 H 0.28 0.56 -0.47 -0.55 8.24 8.05 1uf2J1 VAL 325 HA 0.03 0.11 0.30 -0.75 4.13 3.81 1uf2J1 VAL 325 HB -0.09 -0.13 0.08 -0.04 2.12 1.94 1uf2J1 VAL 325 HG13 -0.24 -0.01 -0.15 -0.04 0.97 0.53 1uf2J1 VAL 325 HG23 -0.69 0.13 0.04 -0.04 0.95 0.39 1uf2J1 SER 326 H 0.12 0.06 -0.15 -0.55 8.46 7.95 1uf2J1 SER 326 HA 0.06 0.08 0.37 -0.75 4.49 4.24 1uf2J1 SER 326 HB2 0.06 0.07 -0.00 -0.04 3.95 4.04 1uf2J1 SER 326 HB3 0.09 0.00 0.10 -0.04 3.93 4.09 1uf2J1 ASP 327 H 0.18 0.20 -0.48 -0.55 8.40 7.74 1uf2J1 ASP 327 HA 0.00 0.01 0.37 -0.75 4.63 4.26 1uf2J1 ASP 327 HB2 0.14 0.24 0.08 -0.04 2.71 3.13 1uf2J1 ASP 327 HB3 -0.11 0.00 0.08 -0.04 2.70 2.63 1uf2J1 PHE 328 H 0.38 0.85 -0.07 -0.55 8.34 8.95 1uf2J1 PHE 328 HA 0.02 0.18 0.90 -0.75 4.62 4.96 1uf2J1 PHE 328 HB2 -0.00 0.05 0.12 -0.04 3.15 3.28 1uf2J1 PHE 328 HB3 0.02 -0.01 0.05 -0.04 3.06 3.08 1uf2J1 PHE 328 HD2 0.06 0.08 0.03 -0.04 7.28 7.40 1uf2J1 PHE 328 HE2 0.11 -0.04 -0.03 -0.04 7.38 7.38 1uf2J1 PHE 328 HZ 0.12 0.23 -0.07 -0.04 7.32 7.55 1uf2J1 LEU 329 H 0.12 0.35 0.00 -0.55 8.37 8.30 1uf2J1 LEU 329 HA 0.16 0.08 0.52 -0.75 4.35 4.36 1uf2J1 LEU 329 HB2 -0.03 0.13 0.12 -0.04 1.64 1.81 1uf2J1 LEU 329 HB3 -0.01 -0.08 0.05 -0.04 1.64 1.56 1uf2J1 LEU 329 HG 0.08 0.05 -0.05 -0.04 1.64 1.68 1uf2J1 LEU 329 HD13 -0.01 -0.03 -0.08 -0.04 0.93 0.77 1uf2J1 LEU 329 HD23 0.26 0.01 -0.03 -0.04 0.89 1.08 1uf2J1 THR 330 H -0.01 0.29 -0.27 -0.55 8.28 7.74 1uf2J1 THR 330 HA -0.11 -0.03 0.28 -0.75 4.39 3.77 1uf2J1 THR 330 HB -0.05 0.05 0.01 -0.04 4.32 4.29 1uf2J1 THR 330 HG23 -0.07 -0.01 -0.08 -0.04 1.22 1.03 1uf2J1 THR 331 H 0.01 0.23 -0.30 -0.55 8.28 7.67 1uf2J1 THR 331 HA -0.01 0.03 0.37 -0.75 4.39 4.03 1uf2J1 THR 331 HB 0.03 0.05 0.14 -0.04 4.32 4.51 1uf2J1 THR 331 HG23 -0.02 0.01 -0.07 -0.04 1.22 1.10 1uf2J1 PHE 332 H 0.19 0.21 -0.01 -0.55 8.34 8.18 1uf2J1 PHE 332 HA 0.01 0.09 0.32 -0.75 4.62 4.28 1uf2J1 PHE 332 HB2 0.04 0.06 0.11 -0.04 3.15 3.32 1uf2J1 PHE 332 HB3 0.07 0.03 0.16 -0.04 3.06 3.28 1uf2J1 PHE 332 HD2 0.21 0.02 -0.21 -0.04 7.28 7.26 1uf2J1 PHE 332 HE2 -0.37 0.02 -0.12 -0.04 7.38 6.87 1uf2J1 PHE 332 HZ -1.25 0.00 -0.09 -0.04 7.32 5.94 1uf2J1 LEU 333 H -0.01 0.51 -0.10 -0.55 8.37 8.22 1uf2J1 LEU 333 HA -0.27 -0.04 0.34 -0.75 4.35 3.63 1uf2J1 LEU 333 HB2 -0.23 0.14 0.08 -0.04 1.64 1.59 1uf2J1 LEU 333 HB3 -0.32 -0.06 -0.01 -0.04 1.64 1.20 1uf2J1 LEU 333 HG -0.18 0.14 -0.08 -0.04 1.64 1.49 1uf2J1 LEU 333 HD13 -0.88 -0.01 -0.06 -0.04 0.93 -0.06 1uf2J1 LEU 333 HD23 -0.20 -0.02 -0.03 -0.04 0.89 0.59 1uf2J1 SER 334 H -0.11 0.58 -0.09 -0.55 8.46 8.29 1uf2J1 SER 334 HA -0.12 -0.09 0.36 -0.75 4.49 3.90 1uf2J1 SER 334 HB2 -0.05 0.22 0.14 -0.04 3.95 4.22 1uf2J1 SER 334 HB3 -0.05 -0.05 0.05 -0.04 3.93 3.84 1uf2J1 GLN 335 H -0.06 0.50 -0.45 -0.55 8.47 7.91 1uf2J1 GLN 335 HA -0.01 0.04 0.66 -0.75 4.36 4.30 1uf2J1 GLN 335 HB2 0.07 0.08 0.16 -0.04 2.15 2.43 1uf2J1 GLN 335 HB3 0.11 0.06 0.06 -0.04 2.02 2.21 1uf2J1 GLN 335 HG2 0.03 -0.09 -0.01 -0.04 2.40 2.28 1uf2J1 GLN 335 HG3 0.08 0.31 0.10 -0.04 2.39 2.84 1uf2J1 GLN 335 HE21 0.03 -0.15 0.01 -0.04 6.97 6.82 1uf2J1 GLN 335 HE22 0.08 0.46 0.07 -0.04 7.69 8.25 1uf2J1 LEU 336 H -0.17 0.56 -0.02 -0.55 8.37 8.20 1uf2J1 LEU 336 HA 0.02 0.08 0.50 -0.75 4.35 4.19 1uf2J1 LEU 336 HB2 -0.15 0.19 0.25 -0.04 1.64 1.89 1uf2J1 LEU 336 HB3 0.08 -0.19 -0.13 -0.04 1.64 1.35 1uf2J1 LEU 336 HG -1.15 0.13 -0.15 -0.04 1.64 0.43 1uf2J1 LEU 336 HD13 -0.35 -0.03 -0.08 -0.04 0.93 0.43 1uf2J1 LEU 336 HD23 -0.13 0.01 -0.15 -0.04 0.89 0.57 1uf2J1 ARG 337 H -0.09 0.60 0.07 -0.55 8.46 8.48 1uf2J1 ARG 337 HA -0.01 -0.11 0.35 -0.75 4.34 3.82 1uf2J1 ARG 337 HB2 -0.11 0.15 0.01 -0.04 1.90 1.91 1uf2J1 ARG 337 HB3 -0.13 -0.02 0.06 -0.04 1.80 1.67 1uf2J1 ARG 337 HG2 -0.28 -0.09 0.04 -0.04 1.67 1.30 1uf2J1 ARG 337 HG3 -0.22 0.06 -0.10 -0.04 1.67 1.37 1uf2J1 ARG 337 HD2 -0.24 0.03 -0.01 -0.04 3.22 2.95 1uf2J1 ARG 337 HD3 -0.50 -0.05 -0.00 -0.04 3.22 2.62 1uf2J1 ALA 338 H -0.04 0.29 -0.66 -0.55 8.40 7.45 1uf2J1 ALA 338 HA -0.02 0.06 0.52 -0.75 4.34 4.15 1uf2J1 ALA 338 HB3 -0.03 0.05 0.10 -0.04 1.41 1.49 1uf2J1 CYS 339 H 0.00 0.39 -0.43 -0.55 8.50 7.92 1uf2J1 CYS 339 HA -0.02 0.25 0.95 -0.75 4.58 5.00 1uf2J1 CYS 339 HB2 0.01 -0.04 0.13 -0.04 2.97 3.03 1uf2J1 CYS 339 HB3 -0.05 -0.04 0.13 -0.04 2.97 2.98 1uf2J1 GLY 340 H 0.04 0.25 0.01 -0.55 8.43 8.18 1uf2J1 GLY 340 HA2 0.07 0.02 0.39 -0.51 4.01 3.99 1uf2J1 GLY 340 HA3 0.05 0.20 0.61 -0.51 4.01 4.36 1uf2J1 GLN 341 H 0.09 0.21 -0.69 -0.55 8.47 7.53 1uf2J1 GLN 341 HA 0.12 0.04 0.38 -0.75 4.36 4.15 1uf2J1 GLN 341 HB2 0.22 0.09 0.01 -0.04 2.15 2.43 1uf2J1 GLN 341 HB3 0.24 -0.07 0.12 -0.04 2.02 2.26 1uf2J1 GLN 341 HG2 0.07 0.15 -0.06 -0.04 2.40 2.53 1uf2J1 GLN 341 HG3 0.16 0.05 0.01 -0.04 2.39 2.57 1uf2J1 GLN 341 HE21 0.06 -0.03 -0.02 -0.04 6.97 6.95 1uf2J1 GLN 341 HE22 0.05 0.15 -0.00 -0.04 7.69 7.84 1uf2J1 TYR 342 H 0.22 0.11 -0.92 -0.55 8.29 7.14 1uf2J1 TYR 342 HA 0.11 0.07 0.30 -0.75 4.56 4.29 1uf2J1 TYR 342 HB2 0.03 -0.01 -0.17 -0.04 3.06 2.88 1uf2J1 TYR 342 HB3 0.06 0.03 -0.02 -0.04 2.98 3.02 1uf2J1 TYR 342 HD2 0.10 0.01 -0.06 -0.04 7.15 7.16 1uf2J1 TYR 342 HE2 0.23 0.00 -0.04 -0.04 6.85 7.00 1uf2J1 GLU 343 H 0.14 0.29 -0.10 -0.55 8.60 8.38 1uf2J1 GLU 343 HA -0.16 0.08 0.45 -0.75 4.29 3.91 1uf2J1 GLU 343 HB2 0.06 0.05 0.14 -0.04 2.09 2.29 1uf2J1 GLU 343 HB3 0.01 0.03 -0.04 -0.04 1.99 1.95 1uf2J1 GLU 343 HG2 0.06 0.04 0.02 -0.04 2.34 2.42 1uf2J1 GLU 343 HG3 0.06 -0.00 0.01 -0.04 2.34 2.37 1uf2J1 ILE 344 H 0.05 0.16 -0.11 -0.55 8.25 7.81 1uf2J1 ILE 344 HA -0.01 0.04 0.32 -0.75 4.18 3.78 1uf2J1 ILE 344 HB 0.10 0.05 0.10 -0.04 1.89 2.10 1uf2J1 ILE 344 HG12 0.05 0.06 0.02 -0.04 1.49 1.58 1uf2J1 ILE 344 HG13 0.02 0.00 0.05 -0.04 1.21 1.24 1uf2J1 ILE 344 HG23 0.01 0.01 -0.11 -0.04 0.93 0.81 1uf2J1 ILE 344 HD13 0.06 -0.05 0.05 -0.04 0.88 0.91 1uf2J1 PHE 345 H 0.18 0.50 -0.23 -0.55 8.34 8.24 1uf2J1 PHE 345 HA -0.16 0.03 0.37 -0.75 4.62 4.11 1uf2J1 PHE 345 HB2 -0.00 0.12 0.10 -0.04 3.15 3.32 1uf2J1 PHE 345 HB3 0.00 0.03 0.06 -0.04 3.06 3.10 1uf2J1 PHE 345 HD2 -0.29 -0.02 -0.13 -0.04 7.28 6.81 1uf2J1 PHE 345 HE2 -0.89 0.01 -0.09 -0.04 7.38 6.37 1uf2J1 PHE 345 HZ -0.27 0.03 -0.09 -0.04 7.32 6.96 1uf2J1 SER 346 H 0.06 0.53 -0.13 -0.55 8.46 8.37 1uf2J1 SER 346 HA 0.19 -0.11 0.36 -0.75 4.49 4.18 1uf2J1 SER 346 HB2 -0.26 0.10 0.20 -0.04 3.95 3.95 1uf2J1 SER 346 HB3 -0.12 0.16 0.20 -0.04 3.93 4.13 1uf2J1 ASP 347 H -0.10 0.49 -0.51 -0.55 8.40 7.73 1uf2J1 ASP 347 HA -0.09 0.05 0.69 -0.75 4.63 4.53 1uf2J1 ASP 347 HB2 -0.08 0.18 0.20 -0.04 2.71 2.96 1uf2J1 ASP 347 HB3 -0.08 -0.05 0.00 -0.04 2.70 2.53 1uf2J1 ALA 348 H -0.22 0.65 0.26 -0.55 8.40 8.55 1uf2J1 ALA 348 HA -0.22 -0.02 0.45 -0.75 4.34 3.79 1uf2J1 ALA 348 HB3 -0.38 0.04 0.16 -0.04 1.41 1.19 1uf2J1 MET 349 H -0.55 0.65 -0.40 -0.55 8.47 7.63 1uf2J1 MET 349 HA -0.52 0.08 0.51 -0.75 4.52 3.83 1uf2J1 MET 349 HB2 -0.72 0.12 0.02 -0.04 2.15 1.53 1uf2J1 MET 349 HB3 -0.51 -0.08 -0.04 -0.04 2.03 1.36 1uf2J1 MET 349 HG2 -1.85 0.05 -0.07 -0.04 2.63 0.73 1uf2J1 MET 349 HG3 -2.13 -0.10 -0.10 -0.04 2.56 0.19 1uf2J1 MET 349 HE3 -0.20 -0.02 -0.04 -0.04 2.10 1.80 1uf2J1 ASP 350 H -0.20 0.37 -0.11 -0.55 8.40 7.92 1uf2J1 ASP 350 HA -0.06 -0.02 0.46 -0.75 4.63 4.25 1uf2J1 ASP 350 HB2 -0.07 0.18 0.32 -0.04 2.71 3.11 1uf2J1 ASP 350 HB3 -0.00 -0.06 0.08 -0.04 2.70 2.68 1uf2J1 GLN 351 H -0.16 0.37 -0.39 -0.55 8.47 7.74 1uf2J1 GLN 351 HA -0.07 0.04 0.59 -0.75 4.36 4.16 1uf2J1 GLN 351 HB2 -0.16 0.21 0.21 -0.04 2.15 2.37 1uf2J1 GLN 351 HB3 -0.12 -0.05 0.01 -0.04 2.02 1.81 1uf2J1 GLN 351 HG2 -0.07 -0.03 0.04 -0.04 2.40 2.30 1uf2J1 GLN 351 HG3 -0.09 0.02 -0.01 -0.04 2.39 2.27 1uf2J1 GLN 351 HE21 -0.08 -0.03 0.00 -0.04 6.97 6.83 1uf2J1 GLN 351 HE22 -0.08 0.00 -0.04 -0.04 7.69 7.54 1uf2J1 LEU 352 H -0.22 0.57 0.12 -0.55 8.37 8.28 1uf2J1 LEU 352 HA -0.20 -0.02 0.36 -0.75 4.35 3.73 1uf2J1 LEU 352 HB2 -0.32 0.16 0.21 -0.04 1.64 1.65 1uf2J1 LEU 352 HB3 -0.27 0.04 0.19 -0.04 1.64 1.56 1uf2J1 LEU 352 HG -0.33 0.01 -0.01 -0.04 1.64 1.27 1uf2J1 LEU 352 HD13 -0.19 -0.02 -0.18 -0.04 0.93 0.50 1uf2J1 LEU 352 HD23 -0.32 0.01 -0.04 -0.04 0.89 0.50 1uf2J1 THR 353 H -0.13 0.59 -0.33 -0.55 8.28 7.86 1uf2J1 THR 353 HA -0.07 0.04 0.38 -0.75 4.39 3.99 1uf2J1 THR 353 HB 0.03 -0.04 -0.04 -0.04 4.32 4.24 1uf2J1 THR 353 HG23 -0.10 -0.01 0.00 -0.04 1.22 1.06 1uf2J1 ASN 354 H -0.02 0.34 -0.17 -0.55 8.53 8.13 1uf2J1 ASN 354 HA 0.02 0.02 0.44 -0.75 4.76 4.48 1uf2J1 ASN 354 HB2 -0.04 0.05 0.31 -0.04 2.88 3.16 1uf2J1 ASN 354 HB3 -0.03 -0.07 0.06 -0.04 2.79 2.70 1uf2J1 ASN 354 HD21 -0.01 -0.02 0.05 -0.04 7.03 7.01 1uf2J1 ASN 354 HD22 -0.02 -0.02 0.06 -0.04 7.74 7.71 1uf2J1 SER 355 H -0.06 0.51 0.04 -0.55 8.46 8.41 1uf2J1 SER 355 HA -0.04 -0.06 0.33 -0.75 4.49 3.96 1uf2J1 SER 355 HB2 -0.10 0.15 0.07 -0.04 3.95 4.02 1uf2J1 SER 355 HB3 -0.08 -0.04 0.01 -0.04 3.93 3.79 1uf2J1 LEU 356 H -0.08 0.42 -0.37 -0.55 8.37 7.80 1uf2J1 LEU 356 HA -0.05 0.09 0.39 -0.75 4.35 4.03 1uf2J1 LEU 356 HB2 -0.16 0.02 0.11 -0.04 1.64 1.56 1uf2J1 LEU 356 HB3 -0.10 0.07 0.11 -0.04 1.64 1.67 1uf2J1 LEU 356 HG -0.11 0.00 -0.05 -0.04 1.64 1.44 1uf2J1 LEU 356 HD13 -0.76 -0.01 -0.01 -0.04 0.93 0.11 1uf2J1 LEU 356 HD23 -0.25 -0.03 -0.08 -0.04 0.89 0.49 1uf2J1 ILE 357 H -0.02 0.52 -0.02 -0.55 8.25 8.19 1uf2J1 ILE 357 HA -0.01 -0.00 0.40 -0.75 4.18 3.82 1uf2J1 ILE 357 HB -0.01 0.02 0.15 -0.04 1.89 2.00 1uf2J1 ILE 357 HG12 -0.01 -0.08 0.06 -0.04 1.49 1.42 1uf2J1 ILE 357 HG13 0.01 0.53 0.27 -0.04 1.21 1.98 1uf2J1 ILE 357 HG23 -0.03 -0.03 -0.01 -0.04 0.93 0.83 1uf2J1 ILE 357 HD13 0.09 -0.07 -0.05 -0.04 0.88 0.81 1uf2J1 THR 358 H -0.00 0.57 -0.23 -0.55 8.28 8.06 1uf2J1 THR 358 HA 0.00 -0.00 0.22 -0.75 4.39 3.86 1uf2J1 THR 358 HB -0.01 0.24 0.23 -0.04 4.32 4.73 1uf2J1 THR 358 HG23 -0.01 -0.04 -0.24 -0.04 1.22 0.88 1uf2J1 ASN 359 H 0.01 0.53 0.05 -0.55 8.53 8.57 1uf2J1 ASN 359 HA -0.02 -0.06 0.27 -0.75 4.76 4.19 1uf2J1 ASN 359 HB2 -0.02 0.29 0.10 -0.04 2.88 3.21 1uf2J1 ASN 359 HB3 -0.07 -0.24 0.21 -0.04 2.79 2.65 1uf2J1 ASN 359 HD21 -0.02 -0.04 -0.04 -0.04 7.03 6.90 1uf2J1 ASN 359 HD22 -0.02 -0.12 0.02 -0.04 7.74 7.58 1uf2J1 TYR 360 H 0.14 0.50 -1.01 -0.55 8.29 7.37 1uf2J1 TYR 360 HA 0.02 0.04 0.96 -0.75 4.56 4.83 1uf2J1 TYR 360 HB2 -0.02 0.28 0.14 -0.04 3.06 3.41 1uf2J1 TYR 360 HB3 0.00 -0.10 0.08 -0.04 2.98 2.92 1uf2J1 TYR 360 HD2 -0.02 0.20 0.03 -0.04 7.15 7.32 1uf2J1 TYR 360 HE2 -0.01 -0.00 -0.08 -0.04 6.85 6.72 1uf2J1 MET 361 H 0.06 0.86 0.26 -0.55 8.47 9.10 1uf2J1 MET 361 HA 0.04 0.10 1.09 -0.75 4.52 4.99 1uf2J1 MET 361 HB2 0.02 0.03 0.08 -0.04 2.15 2.24 1uf2J1 MET 361 HB3 0.02 -0.05 -0.00 -0.04 2.03 1.96 1uf2J1 MET 361 HG2 0.05 -0.03 -0.15 -0.04 2.63 2.46 1uf2J1 MET 361 HG3 0.08 0.09 -0.15 -0.04 2.56 2.54 1uf2J1 MET 361 HE3 -0.00 -0.01 0.08 -0.04 2.10 2.12 1uf2J1 ASP 362 H 0.02 0.17 0.11 -0.55 8.40 8.15 1uf2J1 ASP 362 HA 0.00 0.05 0.68 -0.75 4.63 4.60 1uf2J1 ASP 362 HB2 0.00 0.02 0.02 -0.04 2.71 2.71 1uf2J1 ASP 362 HB3 0.01 -0.01 0.10 -0.04 2.70 2.76 1uf2J1 PRO 363 HA -0.00 0.05 0.46 -0.51 4.44 4.43 1uf2J1 PRO 363 HB2 -0.01 0.04 -0.08 -0.04 2.28 2.20 1uf2J1 PRO 363 HB3 -0.00 -0.02 0.07 -0.04 2.02 2.03 1uf2J1 PRO 363 HG2 -0.01 0.03 0.06 -0.04 2.03 2.08 1uf2J1 PRO 363 HG3 -0.00 -0.01 0.06 -0.04 2.03 2.03 1uf2J1 PRO 363 HD2 -0.00 0.14 0.50 -0.04 3.68 4.27 1uf2J1 PRO 363 HD3 -0.00 0.03 0.04 -0.04 3.65 3.68 1uf2J1 PRO 364 HA -0.00 0.25 0.34 -0.51 4.44 4.51 1uf2J1 PRO 364 HB2 -0.01 -0.05 0.19 -0.04 2.28 2.37 1uf2J1 PRO 364 HB3 -0.01 0.00 0.08 -0.04 2.02 2.05 1uf2J1 PRO 364 HG2 -0.01 -0.02 0.07 -0.04 2.03 2.03 1uf2J1 PRO 364 HG3 -0.01 0.11 0.03 -0.04 2.03 2.12 1uf2J1 PRO 364 HD2 -0.01 0.06 0.16 -0.04 3.68 3.85 1uf2J1 PRO 364 HD3 -0.00 0.03 0.25 -0.04 3.65 3.89 1uf2J1 ALA 365 H -0.01 0.49 0.40 -0.55 8.40 8.74 1uf2J1 ALA 365 HA -0.02 0.03 0.81 -0.75 4.34 4.41 1uf2J1 ALA 365 HB3 -0.02 0.01 -0.16 -0.04 1.41 1.20 1uf2J1 ILE 366 H -0.03 0.07 0.09 -0.55 8.25 7.83 1uf2J1 ILE 366 HA -0.04 0.08 0.36 -0.75 4.18 3.83 1uf2J1 ILE 366 HB -0.05 -0.04 0.19 -0.04 1.89 1.95 1uf2J1 ILE 366 HG12 -0.04 0.03 0.03 -0.04 1.49 1.47 1uf2J1 ILE 366 HG13 -0.03 -0.05 0.13 -0.04 1.21 1.22 1uf2J1 ILE 366 HG23 -0.08 0.03 -0.01 -0.04 0.93 0.83 1uf2J1 ILE 366 HD13 -0.04 -0.01 0.04 -0.04 0.88 0.83 1uf2J1 PRO 367 HA -0.03 0.02 0.27 -0.51 4.44 4.19 1uf2J1 PRO 367 HB2 -0.04 -0.00 -0.07 -0.04 2.28 2.12 1uf2J1 PRO 367 HB3 -0.03 0.07 0.09 -0.04 2.02 2.11 1uf2J1 PRO 367 HG2 -0.08 -0.04 -0.17 -0.04 2.03 1.70 1uf2J1 PRO 367 HG3 -0.05 0.07 -0.03 -0.04 2.03 1.98 1uf2J1 PRO 367 HD2 -0.06 -0.03 0.13 -0.04 3.68 3.69 1uf2J1 PRO 367 HD3 -0.03 0.25 0.19 -0.04 3.65 4.02 1uf2J1 ALA 368 H -0.04 0.11 0.09 -0.55 8.40 8.02 1uf2J1 ALA 368 HA -0.05 0.04 0.52 -0.75 4.34 4.10 1uf2J1 ALA 368 HB3 -0.03 0.00 0.09 -0.04 1.41 1.43 1uf2J1 GLY 369 H -0.06 0.11 0.20 -0.55 8.43 8.13 1uf2J1 GLY 369 HA2 -0.06 -0.03 0.30 -0.51 4.01 3.70 1uf2J1 GLY 369 HA3 -0.06 0.14 0.66 -0.51 4.01 4.24 1uf2J1 LEU 370 H -0.11 0.13 0.00 -0.55 8.37 7.84 1uf2J1 LEU 370 HA -0.23 0.27 0.97 -0.75 4.35 4.61 1uf2J1 LEU 370 HB2 -0.18 0.08 -0.21 -0.04 1.64 1.29 1uf2J1 LEU 370 HB3 -0.20 -0.01 0.11 -0.04 1.64 1.51 1uf2J1 LEU 370 HG -0.72 -0.05 -0.30 -0.04 1.64 0.53 1uf2J1 LEU 370 HD13 -0.30 0.02 -0.11 -0.04 0.93 0.50 1uf2J1 LEU 370 HD23 -0.30 -0.01 -0.03 -0.04 0.89 0.50 1uf2J1 ALA 371 H -0.18 0.33 -0.06 -0.55 8.40 7.95 1uf2J1 ALA 371 HA -0.14 0.15 0.86 -0.75 4.34 4.45 1uf2J1 ALA 371 HB3 -0.06 0.01 -0.04 -0.04 1.41 1.27 1uf2J1 PHE 372 H -0.00 0.17 0.07 -0.55 8.34 8.03 1uf2J1 PHE 372 HA -0.06 0.08 0.73 -0.75 4.62 4.62 1uf2J1 PHE 372 HB2 -0.05 -0.01 0.12 -0.04 3.15 3.17 1uf2J1 PHE 372 HB3 -0.06 0.12 -0.00 -0.04 3.06 3.08 1uf2J1 PHE 372 HD2 -0.07 -0.04 0.02 -0.04 7.28 7.15 1uf2J1 PHE 372 HE2 -0.09 0.06 -0.03 -0.04 7.38 7.27 1uf2J1 PHE 372 HZ -0.09 0.06 -0.07 -0.04 7.32 7.18 1uf2J1 THR 373 H 0.13 0.14 0.16 -0.55 8.28 8.17 1uf2J1 THR 373 HA 0.02 0.12 0.48 -0.75 4.39 4.27 1uf2J1 THR 373 HB 0.01 -0.05 0.00 -0.04 4.32 4.25 1uf2J1 THR 373 HG23 -0.00 -0.00 0.01 -0.04 1.22 1.18 1uf2J1 SER 374 H 0.00 0.08 -0.05 -0.55 8.46 7.94 1uf2J1 SER 374 HA -0.08 0.22 0.79 -0.75 4.49 4.67 1uf2J1 SER 374 HB2 -0.17 0.01 0.04 -0.04 3.95 3.80 1uf2J1 SER 374 HB3 -0.07 0.03 -0.09 -0.04 3.93 3.76 1uf2J1 PRO 375 HA -0.14 0.20 0.45 -0.51 4.44 4.43 1uf2J1 PRO 375 HB2 -0.43 -0.07 0.11 -0.04 2.28 1.85 1uf2J1 PRO 375 HB3 -0.16 0.11 0.10 -0.04 2.02 2.02 1uf2J1 PRO 375 HG2 -1.10 -0.09 -0.07 -0.04 2.03 0.73 1uf2J1 PRO 375 HG3 -0.45 0.09 0.03 -0.04 2.03 1.66 1uf2J1 PRO 375 HD2 -0.25 0.08 0.17 -0.04 3.68 3.64 1uf2J1 PRO 375 HD3 -0.15 0.21 0.13 -0.04 3.65 3.80 1uf2J1 TRP 376 H 0.21 0.21 0.14 -0.55 7.97 7.98 1uf2J1 TRP 376 HA -0.25 0.14 0.31 -0.75 4.62 4.07 1uf2J1 TRP 376 HB2 -0.03 0.06 0.03 -0.04 3.23 3.25 1uf2J1 TRP 376 HB3 -0.13 0.08 0.06 -0.04 3.23 3.20 1uf2J1 TRP 376 HD1 -0.05 0.04 0.13 -0.04 7.22 7.30 1uf2J1 TRP 376 HE1 0.28 0.02 -0.04 -0.04 10.20 10.42 1uf2J1 TRP 376 HE3 0.18 0.01 -0.20 -0.04 7.59 7.55 1uf2J1 TRP 376 HZ2 0.27 -0.00 -0.09 -0.04 7.44 7.58 1uf2J1 TRP 376 HZ3 0.28 0.03 -0.06 -0.04 7.13 7.34 1uf2J1 TRP 376 HH2 0.63 0.01 -0.10 -0.04 7.19 7.69 1uf2J1 PHE 377 H -1.26 0.10 -0.29 -0.55 8.34 6.34 1uf2J1 PHE 377 HA -0.36 0.22 0.81 -0.75 4.62 4.54 1uf2J1 PHE 377 HB2 -0.53 -0.00 0.16 -0.04 3.15 2.74 1uf2J1 PHE 377 HB3 -1.77 0.04 0.00 -0.04 3.06 1.29 1uf2J1 PHE 377 HD2 -0.61 -0.01 -0.13 -0.04 7.28 6.49 1uf2J1 PHE 377 HE2 0.10 0.02 -0.05 -0.04 7.38 7.41 1uf2J1 PHE 377 HZ 0.02 0.03 -0.04 -0.04 7.32 7.29 1uf2J1 ARG 378 H -0.26 0.44 -0.52 -0.55 8.46 7.57 1uf2J1 ARG 378 HA 0.04 0.20 0.87 -0.75 4.34 4.70 1uf2J1 ARG 378 HB2 -0.21 0.14 0.00 -0.04 1.90 1.79 1uf2J1 ARG 378 HB3 -0.07 -0.05 0.17 -0.04 1.80 1.81 1uf2J1 ARG 378 HG2 0.00 0.08 -0.22 -0.04 1.67 1.49 1uf2J1 ARG 378 HG3 -0.48 -0.01 -0.15 -0.04 1.67 0.99 1uf2J1 ARG 378 HD2 -0.06 -0.03 0.02 -0.04 3.22 3.11 1uf2J1 ARG 378 HD3 0.02 0.02 -0.01 -0.04 3.22 3.21 1uf2J1 PHE 379 H 0.14 0.23 -0.36 -0.55 8.34 7.79 1uf2J1 PHE 379 HA -0.04 0.09 0.27 -0.75 4.62 4.19 1uf2J1 PHE 379 HB2 -0.01 0.07 0.06 -0.04 3.15 3.24 1uf2J1 PHE 379 HB3 0.03 -0.12 0.01 -0.04 3.06 2.95 1uf2J1 PHE 379 HD2 0.03 0.01 -0.22 -0.04 7.28 7.07 1uf2J1 PHE 379 HE2 0.09 0.06 -0.24 -0.04 7.38 7.25 1uf2J1 PHE 379 HZ 0.21 0.25 -0.04 -0.04 7.32 7.71 1uf2J1 SER 380 H 0.20 0.01 -0.31 -0.55 8.46 7.81 1uf2J1 SER 380 HA 0.14 0.18 0.09 -0.75 4.49 4.15 1uf2J1 SER 380 HB2 0.05 0.17 0.07 -0.04 3.95 4.19 1uf2J1 SER 380 HB3 0.10 -0.21 0.02 -0.04 3.93 3.80 1uf2J1 GLU 381 H -0.03 0.74 -0.32 -0.55 8.60 8.45 1uf2J1 GLU 381 HA -0.03 0.14 0.74 -0.75 4.29 4.38 1uf2J1 GLU 381 HB2 -0.07 0.13 0.17 -0.04 2.09 2.28 1uf2J1 GLU 381 HB3 -0.05 -0.04 -0.02 -0.04 1.99 1.84 1uf2J1 GLU 381 HG2 -0.02 0.02 0.01 -0.04 2.34 2.30 1uf2J1 GLU 381 HG3 -0.01 -0.04 -0.05 -0.04 2.34 2.19 1uf2J1 ARG 382 H -0.17 0.18 -0.05 -0.55 8.46 7.87 1uf2J1 ARG 382 HA -0.04 -0.03 0.35 -0.75 4.34 3.86 1uf2J1 ARG 382 HB2 -0.42 -0.02 -0.00 -0.04 1.90 1.42 1uf2J1 ARG 382 HB3 -0.46 0.06 -0.03 -0.04 1.80 1.34 1uf2J1 ARG 382 HG2 -0.48 -0.07 0.03 -0.04 1.67 1.10 1uf2J1 ARG 382 HG3 -0.31 -0.01 -0.12 -0.04 1.67 1.19 1uf2J1 ARG 382 HD2 -0.37 -0.05 -0.18 -0.04 3.22 2.58 1uf2J1 ARG 382 HD3 -0.89 0.02 -0.07 -0.04 3.22 2.24 1uf2J1 ALA 383 H -0.29 0.56 -0.63 -0.55 8.40 7.50 1uf2J1 ALA 383 HA -0.25 0.03 0.37 -0.75 4.34 3.74 1uf2J1 ALA 383 HB3 -0.17 0.02 -0.07 -0.04 1.41 1.15 1uf2J1 ARG 384 H -0.07 0.31 -0.08 -0.55 8.46 8.08 1uf2J1 ARG 384 HA -0.04 0.03 0.38 -0.75 4.34 3.96 1uf2J1 ARG 384 HB2 -0.03 0.05 0.29 -0.04 1.90 2.16 1uf2J1 ARG 384 HB3 -0.03 0.05 0.25 -0.04 1.80 2.03 1uf2J1 ARG 384 HG2 -0.02 -0.02 -0.19 -0.04 1.67 1.40 1uf2J1 ARG 384 HG3 -0.02 0.15 0.13 -0.04 1.67 1.89 1uf2J1 ARG 384 HD2 -0.01 -0.03 0.08 -0.04 3.22 3.22 1uf2J1 ARG 384 HD3 -0.01 -0.06 0.02 -0.04 3.22 3.13 1uf2J1 THR 385 H -0.01 0.36 -0.26 -0.55 8.28 7.82 1uf2J1 THR 385 HA -0.01 0.01 0.34 -0.75 4.39 3.99 1uf2J1 THR 385 HB 0.18 0.20 0.16 -0.04 4.32 4.81 1uf2J1 THR 385 HG23 -0.04 -0.00 -0.11 -0.04 1.22 1.03 1uf2J1 ILE 386 H 0.01 0.52 -0.05 -0.55 8.25 8.18 1uf2J1 ILE 386 HA -0.03 0.02 0.44 -0.75 4.18 3.85 1uf2J1 ILE 386 HB -0.05 0.07 0.11 -0.04 1.89 1.98 1uf2J1 ILE 386 HG12 0.04 -0.04 0.01 -0.04 1.49 1.46 1uf2J1 ILE 386 HG13 0.15 0.11 0.07 -0.04 1.21 1.50 1uf2J1 ILE 386 HG23 -0.05 -0.01 -0.08 -0.04 0.93 0.75 1uf2J1 ILE 386 HD13 0.03 -0.01 -0.06 -0.04 0.88 0.79 1uf2J1 LEU 387 H -0.04 0.58 -0.25 -0.55 8.37 8.12 1uf2J1 LEU 387 HA -0.03 0.03 0.45 -0.75 4.35 4.05 1uf2J1 LEU 387 HB2 -0.03 0.12 0.11 -0.04 1.64 1.79 1uf2J1 LEU 387 HB3 -0.03 -0.08 0.13 -0.04 1.64 1.62 1uf2J1 LEU 387 HG -0.04 -0.06 -0.05 -0.04 1.64 1.45 1uf2J1 LEU 387 HD13 -0.02 -0.01 -0.04 -0.04 0.93 0.82 1uf2J1 LEU 387 HD23 -0.04 -0.01 -0.12 -0.04 0.89 0.68 1uf2J1 ALA 388 H -0.03 0.32 -0.82 -0.55 8.40 7.32 1uf2J1 ALA 388 HA -0.02 0.07 0.84 -0.75 4.34 4.48 1uf2J1 ALA 388 HB3 -0.03 0.04 0.14 -0.04 1.41 1.52 1uf2J1 LEU 389 H -0.04 0.34 -0.08 -0.55 8.37 8.05 1uf2J1 LEU 389 HA -0.04 0.02 0.62 -0.75 4.35 4.19 1uf2J1 LEU 389 HB2 -0.04 0.07 0.19 -0.04 1.64 1.82 1uf2J1 LEU 389 HB3 -0.04 -0.10 0.04 -0.04 1.64 1.50 1uf2J1 LEU 389 HG -0.06 0.12 0.16 -0.04 1.64 1.82 1uf2J1 LEU 389 HD13 -0.08 -0.02 -0.06 -0.04 0.93 0.73 1uf2J1 LEU 389 HD23 -0.08 -0.01 -0.10 -0.04 0.89 0.66 1uf2J1 GLN 390 H -0.02 0.18 0.25 -0.55 8.47 8.33 1uf2J1 GLN 390 HA -0.01 0.23 0.56 -0.75 4.36 4.39 1uf2J1 GLN 390 HB2 -0.01 -0.05 -0.02 -0.04 2.15 2.03 1uf2J1 GLN 390 HB3 -0.01 0.00 0.09 -0.04 2.02 2.06 1uf2J1 GLN 390 HG2 -0.01 0.06 0.00 -0.04 2.40 2.41 1uf2J1 GLN 390 HG3 -0.02 0.06 0.23 -0.04 2.39 2.62 1uf2J1 GLN 390 HE21 -0.02 -0.06 0.04 -0.04 6.97 6.89 1uf2J1 GLN 390 HE22 -0.02 0.04 0.10 -0.04 7.69 7.77 1uf2J1 ASN 391 H -0.02 0.07 -0.12 -0.55 8.53 7.91 1uf2J1 ASN 391 HA -0.01 0.11 0.59 -0.75 4.76 4.70 1uf2J1 ASN 391 HB2 -0.02 -0.01 0.11 -0.04 2.88 2.92 1uf2J1 ASN 391 HB3 -0.02 -0.02 0.09 -0.04 2.79 2.80 1uf2J1 ASN 391 HD21 -0.04 0.35 0.12 -0.04 7.03 7.42 1uf2J1 ASN 391 HD22 -0.03 -0.08 0.08 -0.04 7.74 7.67 1uf2J1 VAL 392 H -0.01 0.23 -0.47 -0.55 8.24 7.43 1uf2J1 VAL 392 HA 0.00 0.12 0.86 -0.75 4.13 4.35 1uf2J1 VAL 392 HB -0.01 0.12 0.01 -0.04 2.12 2.19 1uf2J1 VAL 392 HG13 0.01 0.04 -0.09 -0.04 0.97 0.89 1uf2J1 VAL 392 HG23 -0.01 -0.02 -0.12 -0.04 0.95 0.75 1uf2J1 ASP 393 H 0.01 0.09 0.10 -0.55 8.40 8.06 1uf2J1 ASP 393 HA 0.01 0.04 0.32 -0.75 4.63 4.25 1uf2J1 ASP 393 HB2 0.02 0.06 0.16 -0.04 2.71 2.90 1uf2J1 ASP 393 HB3 0.03 -0.04 0.06 -0.04 2.70 2.70 1uf2J1 LEU 394 H 0.01 0.09 0.19 -0.55 8.37 8.10 1uf2J1 LEU 394 HA -0.00 0.22 0.45 -0.75 4.35 4.27 1uf2J1 LEU 394 HB2 0.00 0.09 0.15 -0.04 1.64 1.84 1uf2J1 LEU 394 HB3 0.01 -0.13 0.22 -0.04 1.64 1.70 1uf2J1 LEU 394 HG 0.01 -0.04 -0.22 -0.04 1.64 1.35 1uf2J1 LEU 394 HD13 -0.00 0.01 -0.03 -0.04 0.93 0.87 1uf2J1 LEU 394 HD23 0.00 0.03 0.01 -0.04 0.89 0.89 1uf2J1 ASN 395 H 0.02 0.10 0.05 -0.55 8.53 8.15 1uf2J1 ASN 395 HA 0.02 0.09 0.39 -0.75 4.76 4.51 1uf2J1 ASN 395 HB2 0.04 -0.04 0.06 -0.04 2.88 2.89 1uf2J1 ASN 395 HB3 0.05 0.06 0.02 -0.04 2.79 2.88 1uf2J1 ASN 395 HD21 0.02 0.03 0.06 -0.04 7.03 7.10 1uf2J1 ASN 395 HD22 0.03 -0.03 0.06 -0.04 7.74 7.76 1uf2J1 ILE 396 H 0.04 0.08 -0.47 -0.55 8.25 7.34 1uf2J1 ILE 396 HA 0.09 0.02 0.38 -0.75 4.18 3.91 1uf2J1 ILE 396 HB 0.04 0.16 -0.02 -0.04 1.89 2.03 1uf2J1 ILE 396 HG12 0.12 0.01 0.04 -0.04 1.49 1.62 1uf2J1 ILE 396 HG13 0.06 -0.16 -0.00 -0.04 1.21 1.07 1uf2J1 ILE 396 HG23 0.17 0.02 -0.02 -0.04 0.93 1.07 1uf2J1 ILE 396 HD13 0.07 0.04 0.09 -0.04 0.88 1.04 1uf2J1 ARG 397 H -0.01 0.64 -0.17 -0.55 8.46 8.37 1uf2J1 ARG 397 HA -0.06 0.02 0.44 -0.75 4.34 3.98 1uf2J1 ARG 397 HB2 -0.02 -0.08 0.16 -0.04 1.90 1.92 1uf2J1 ARG 397 HB3 -0.04 0.03 -0.03 -0.04 1.80 1.73 1uf2J1 ARG 397 HG2 -0.02 -0.08 0.04 -0.04 1.67 1.57 1uf2J1 ARG 397 HG3 -0.01 0.19 0.22 -0.04 1.67 2.03 1uf2J1 ARG 397 HD2 -0.02 -0.09 0.05 -0.04 3.22 3.12 1uf2J1 ARG 397 HD3 -0.02 0.02 0.00 -0.04 3.22 3.17 1uf2J1 LYS 398 H -0.02 0.33 -0.00 -0.55 8.42 8.18 1uf2J1 LYS 398 HA -0.01 -0.03 0.33 -0.75 4.32 3.86 1uf2J1 LYS 398 HB2 0.01 0.13 0.19 -0.04 1.87 2.16 1uf2J1 LYS 398 HB3 0.02 0.08 0.04 -0.04 1.79 1.90 1uf2J1 LYS 398 HG2 0.00 -0.00 0.07 -0.04 1.46 1.49 1uf2J1 LYS 398 HG3 0.00 0.01 0.00 -0.04 1.46 1.44 1uf2J1 LYS 398 HD2 0.02 -0.10 0.02 -0.04 1.69 1.59 1uf2J1 LYS 398 HD3 0.02 0.09 -0.08 -0.04 1.68 1.67 1uf2J1 LYS 398 HE2 0.01 0.12 0.07 -0.04 2.99 3.15 1uf2J1 LYS 398 HE3 0.01 -0.11 -0.05 -0.04 2.99 2.80 1uf2J1 LEU 399 H -0.03 0.49 -0.19 -0.55 8.37 8.09 1uf2J1 LEU 399 HA -0.08 0.01 0.39 -0.75 4.35 3.92 1uf2J1 LEU 399 HB2 -0.02 0.09 0.13 -0.04 1.64 1.80 1uf2J1 LEU 399 HB3 -0.07 -0.02 -0.03 -0.04 1.64 1.47 1uf2J1 LEU 399 HG 0.15 0.01 0.05 -0.04 1.64 1.81 1uf2J1 LEU 399 HD13 0.09 -0.02 -0.01 -0.04 0.93 0.95 1uf2J1 LEU 399 HD23 0.31 -0.01 0.00 -0.04 0.89 1.15 1uf2J1 ILE 400 H -0.32 0.55 -0.15 -0.55 8.25 7.78 1uf2J1 ILE 400 HA -0.58 -0.03 0.32 -0.75 4.18 3.14 1uf2J1 ILE 400 HB -0.18 0.10 0.13 -0.04 1.89 1.91 1uf2J1 ILE 400 HG12 -0.91 -0.06 0.06 -0.04 1.49 0.54 1uf2J1 ILE 400 HG13 -0.41 0.60 0.29 -0.04 1.21 1.65 1uf2J1 ILE 400 HG23 -0.17 -0.04 -0.05 -0.04 0.93 0.64 1uf2J1 ILE 400 HD13 -0.08 -0.05 0.03 -0.04 0.88 0.74 1uf2J1 VAL 401 H -0.07 0.55 -0.34 -0.55 8.24 7.82 1uf2J1 VAL 401 HA 0.10 -0.06 0.37 -0.75 4.13 3.78 1uf2J1 VAL 401 HB 0.07 0.11 0.17 -0.04 2.12 2.43 1uf2J1 VAL 401 HG13 0.20 -0.05 -0.10 -0.04 0.97 0.98 1uf2J1 VAL 401 HG23 -0.02 0.07 -0.06 -0.04 0.95 0.90 1uf2J1 ARG 402 H 0.03 0.61 0.08 -0.55 8.46 8.64 1uf2J1 ARG 402 HA 0.16 -0.07 0.32 -0.75 4.34 4.00 1uf2J1 ARG 402 HB2 -0.16 0.06 0.18 -0.04 1.90 1.94 1uf2J1 ARG 402 HB3 0.14 0.02 0.01 -0.04 1.80 1.93 1uf2J1 ARG 402 HG2 0.11 -0.12 0.00 -0.04 1.67 1.61 1uf2J1 ARG 402 HG3 0.05 0.11 -0.04 -0.04 1.67 1.74 1uf2J1 ARG 402 HD2 0.17 0.19 0.15 -0.04 3.22 3.68 1uf2J1 ARG 402 HD3 0.09 -0.05 0.10 -0.04 3.22 3.32 1uf2J1 HIS 403 H -0.24 0.90 -0.13 -0.55 8.41 8.40 1uf2J1 HIS 403 HA -0.22 -0.05 0.34 -0.75 4.63 3.94 1uf2J1 HIS 403 HB2 -0.60 0.06 0.03 -0.04 3.26 2.71 1uf2J1 HIS 403 HB3 -0.22 0.05 0.05 -0.04 3.20 3.04 1uf2J1 HIS 403 HD2 0.16 -0.15 -0.16 -0.04 6.97 6.78 1uf2J1 HIS 403 HE1 0.36 0.10 -0.39 -0.04 7.75 7.78 1uf2J1 LEU 404 H 0.10 0.84 -0.05 -0.55 8.37 8.71 1uf2J1 LEU 404 HA 0.12 -0.05 0.36 -0.75 4.35 4.02 1uf2J1 LEU 404 HB2 0.04 0.14 0.18 -0.04 1.64 1.95 1uf2J1 LEU 404 HB3 0.29 0.08 0.19 -0.04 1.64 2.15 1uf2J1 LEU 404 HG 0.30 -0.10 -0.12 -0.04 1.64 1.68 1uf2J1 LEU 404 HD13 0.04 -0.03 0.04 -0.04 0.93 0.95 1uf2J1 LEU 404 HD23 -0.11 -0.01 -0.04 -0.04 0.89 0.70 1uf2J1 TRP 405 H 0.52 0.85 -0.25 -0.55 7.97 8.54 1uf2J1 TRP 405 HA -0.21 -0.14 0.35 -0.75 4.62 3.86 1uf2J1 TRP 405 HB2 0.00 0.09 0.03 -0.04 3.23 3.31 1uf2J1 TRP 405 HB3 0.09 0.26 0.18 -0.04 3.23 3.71 1uf2J1 TRP 405 HD1 -0.90 -0.02 -0.11 -0.04 7.22 6.15 1uf2J1 TRP 405 HE1 0.08 0.14 -0.08 -0.04 10.20 10.30 1uf2J1 TRP 405 HE3 0.07 0.13 -0.36 -0.04 7.59 7.39 1uf2J1 TRP 405 HZ2 0.04 0.17 0.01 -0.04 7.44 7.62 1uf2J1 TRP 405 HZ3 0.01 -0.05 -0.08 -0.04 7.13 6.96 1uf2J1 TRP 405 HH2 -0.09 -0.05 -0.03 -0.04 7.19 6.98 1uf2J1 VAL 406 H 0.56 0.64 -0.00 -0.55 8.24 8.89 1uf2J1 VAL 406 HA 0.59 -0.11 0.32 -0.75 4.13 4.17 1uf2J1 VAL 406 HB 0.47 0.18 0.10 -0.04 2.12 2.83 1uf2J1 VAL 406 HG13 0.39 -0.04 -0.07 -0.04 0.97 1.21 1uf2J1 VAL 406 HG23 0.52 0.09 0.05 -0.04 0.95 1.56 1uf2J1 ILE 407 H 0.22 0.52 -0.26 -0.55 8.25 8.19 1uf2J1 ILE 407 HA -0.02 0.00 0.43 -0.75 4.18 3.84 1uf2J1 ILE 407 HB 0.03 0.14 0.09 -0.04 1.89 2.11 1uf2J1 ILE 407 HG12 -0.16 -0.00 -0.07 -0.04 1.49 1.21 1uf2J1 ILE 407 HG13 -0.21 -0.07 -0.04 -0.04 1.21 0.85 1uf2J1 ILE 407 HG23 -0.15 -0.03 -0.12 -0.04 0.93 0.59 1uf2J1 ILE 407 HD13 0.34 -0.03 -0.04 -0.04 0.88 1.10 1uf2J1 THR 408 H 0.05 0.62 -0.05 -0.55 8.28 8.35 1uf2J1 THR 408 HA 0.15 -0.03 0.34 -0.75 4.39 4.10 1uf2J1 THR 408 HB -0.35 0.13 0.24 -0.04 4.32 4.29 1uf2J1 THR 408 HG23 0.15 -0.06 -0.08 -0.04 1.22 1.19 1uf2J1 SER 409 H -0.42 0.69 -0.03 -0.55 8.46 8.15 1uf2J1 SER 409 HA -0.29 -0.06 0.36 -0.75 4.49 3.74 1uf2J1 SER 409 HB2 -0.27 -0.11 -0.02 -0.04 3.95 3.51 1uf2J1 SER 409 HB3 -1.24 0.02 0.05 -0.04 3.93 2.71 1uf2J1 LEU 410 H 0.05 0.64 -0.18 -0.55 8.37 8.33 1uf2J1 LEU 410 HA 0.27 -0.08 0.32 -0.75 4.35 4.11 1uf2J1 LEU 410 HB2 0.03 0.22 0.16 -0.04 1.64 2.01 1uf2J1 LEU 410 HB3 0.04 -0.06 -0.00 -0.04 1.64 1.58 1uf2J1 LEU 410 HG 0.19 0.27 0.08 -0.04 1.64 2.14 1uf2J1 LEU 410 HD13 -0.23 -0.01 -0.04 -0.04 0.93 0.60 1uf2J1 LEU 410 HD23 0.51 -0.05 -0.05 -0.04 0.89 1.27 1uf2J1 ILE 411 H 0.08 0.57 -0.43 -0.55 8.25 7.93 1uf2J1 ILE 411 HA 0.18 -0.01 0.47 -0.75 4.18 4.06 1uf2J1 ILE 411 HB 0.19 0.25 0.23 -0.04 1.89 2.52 1uf2J1 ILE 411 HG12 0.24 -0.07 -0.02 -0.04 1.49 1.59 1uf2J1 ILE 411 HG13 0.15 0.31 0.06 -0.04 1.21 1.69 1uf2J1 ILE 411 HG23 -0.05 -0.05 -0.12 -0.04 0.93 0.68 1uf2J1 ILE 411 HD13 -0.00 -0.04 -0.08 -0.04 0.88 0.71 1uf2J1 ALA 412 H 0.05 0.57 0.09 -0.55 8.40 8.56 1uf2J1 ALA 412 HA 0.07 -0.10 0.32 -0.75 4.34 3.87 1uf2J1 ALA 412 HB3 0.06 0.02 0.01 -0.04 1.41 1.46 1uf2J1 VAL 413 H 0.02 0.39 -0.60 -0.55 8.24 7.50 1uf2J1 VAL 413 HA -0.03 0.10 0.74 -0.75 4.13 4.18 1uf2J1 VAL 413 HB 0.12 0.10 0.09 -0.04 2.12 2.39 1uf2J1 VAL 413 HG13 -0.22 -0.02 -0.10 -0.04 0.97 0.60 1uf2J1 VAL 413 HG23 0.05 0.01 -0.08 -0.04 0.95 0.88 1uf2J1 PHE 414 H 0.02 0.61 0.14 -0.55 8.34 8.55 1uf2J1 PHE 414 HA -0.18 0.13 0.64 -0.75 4.62 4.45 1uf2J1 PHE 414 HB2 -1.79 0.07 0.13 -0.04 3.15 1.52 1uf2J1 PHE 414 HB3 -0.78 -0.03 0.03 -0.04 3.06 2.24 1uf2J1 PHE 414 HD2 -0.08 0.20 0.07 -0.04 7.28 7.43 1uf2J1 PHE 414 HE2 0.13 -0.02 -0.06 -0.04 7.38 7.38 1uf2J1 PHE 414 HZ 0.11 -0.01 -0.13 -0.04 7.32 7.25 1uf2J1 GLY 415 H -0.32 0.57 -0.04 -0.55 8.43 8.10 1uf2J1 GLY 415 HA2 0.05 0.09 0.53 -0.51 4.01 4.17 1uf2J1 GLY 415 HA3 -0.60 0.01 0.26 -0.51 4.01 3.17 1uf2J1 ARG 416 H -0.11 0.22 -0.18 -0.55 8.46 7.84 1uf2J1 ARG 416 HA 0.10 -0.03 0.24 -0.75 4.34 3.91 1uf2J1 ARG 416 HB2 -0.53 0.06 -0.01 -0.04 1.90 1.37 1uf2J1 ARG 416 HB3 -0.38 -0.03 -0.03 -0.04 1.80 1.33 1uf2J1 ARG 416 HG2 -0.01 -0.18 0.10 -0.04 1.67 1.54 1uf2J1 ARG 416 HG3 -0.09 0.15 0.07 -0.04 1.67 1.75 1uf2J1 ARG 416 HD2 -0.11 -0.11 0.05 -0.04 3.22 3.01 1uf2J1 ARG 416 HD3 -0.01 0.05 0.15 -0.04 3.22 3.37 1uf2J1 TYR 417 H -0.13 0.15 -0.36 -0.55 8.29 7.40 1uf2J1 TYR 417 HA 0.10 0.11 0.48 -0.75 4.56 4.49 1uf2J1 TYR 417 HB2 0.08 0.16 -0.12 -0.04 3.06 3.13 1uf2J1 TYR 417 HB3 0.06 -0.06 -0.04 -0.04 2.98 2.89 1uf2J1 TYR 417 HD2 0.03 0.07 -0.05 -0.04 7.15 7.16 1uf2J1 TYR 417 HE2 0.03 0.01 -0.03 -0.04 6.85 6.81 1uf2J1 TYR 418 H 0.32 0.65 -0.41 -0.55 8.29 8.29 1uf2J1 TYR 418 HA 0.15 -0.12 0.38 -0.75 4.56 4.21 1uf2J1 TYR 418 HB2 0.26 0.09 0.09 -0.04 3.06 3.46 1uf2J1 TYR 418 HB3 0.21 -0.00 -0.00 -0.04 2.98 3.14 1uf2J1 TYR 418 HD2 0.10 -0.01 -0.16 -0.04 7.15 7.04 1uf2J1 TYR 418 HE2 0.07 -0.06 -0.03 -0.04 6.85 6.79 1uf2J1 ARG 419 H -0.01 0.06 0.03 -0.55 8.46 7.99 1uf2J1 ARG 419 HA -0.23 0.18 0.56 -0.75 4.34 4.09 1uf2J1 ARG 419 HB2 0.00 0.13 -0.15 -0.04 1.90 1.84 1uf2J1 ARG 419 HB3 0.00 -0.05 0.11 -0.04 1.80 1.83 1uf2J1 ARG 419 HG2 -0.03 -0.10 0.02 -0.04 1.67 1.52 1uf2J1 ARG 419 HG3 -0.07 0.05 -0.08 -0.04 1.67 1.53 1uf2J1 ARG 419 HD2 -0.00 0.08 -0.01 -0.04 3.22 3.24 1uf2J1 ARG 419 HD3 0.00 -0.06 -0.01 -0.04 3.22 3.11 1uf2J1 PRO 420 HA -0.06 -0.06 0.46 -0.51 4.44 4.27 1uf2J1 PRO 420 HB2 -0.04 0.04 0.07 -0.04 2.28 2.31 1uf2J1 PRO 420 HB3 -0.09 -0.01 0.08 -0.04 2.02 1.96 1uf2J1 PRO 420 HG2 -0.25 0.08 0.13 -0.04 2.03 1.94 1uf2J1 PRO 420 HG3 -0.47 -0.01 0.05 -0.04 2.03 1.56 1uf2J1 PRO 420 HD2 -0.66 0.25 -0.02 -0.04 3.68 3.21 1uf2J1 PRO 420 HD3 -2.48 0.06 -0.07 -0.04 3.65 1.13 1uf2J1 ASN 421 H -0.01 0.11 0.21 -0.55 8.53 8.30 1uf2J1 ASN 421 HA -0.01 0.18 0.58 -0.75 4.76 4.75 1uf2J1 ASN 421 HB2 -0.01 0.07 0.05 -0.04 2.88 2.95 1uf2J1 ASN 421 HB3 -0.00 -0.04 0.07 -0.04 2.79 2.78 1uf2J1 ASN 421 HD21 -0.03 -0.00 -0.14 -0.04 7.03 6.81 1uf2J1 ASN 421 HD22 -0.03 0.06 -0.13 -0.04 7.74 7.61