============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 74 rings ring int. center anis. iso. TRP 11 1.040 34.974 24.726 29.096 -99.200 -91.000 TRP6 11 1.020 33.330 25.984 27.947 -99.200 -91.000 PHE 25 1.000 26.543 42.644 17.691 -99.200 -91.000 TRP 26 1.040 28.701 44.529 22.506 -99.200 -91.000 TRP6 26 1.020 26.655 45.692 22.732 -99.200 -91.000 HIS 29 0.900 27.549 45.435 14.068 -99.200 -91.000 HIS 31 0.900 32.746 52.081 19.111 -99.200 -91.000 HIS 35 0.900 24.268 63.687 18.174 -99.200 -91.000 PHE 38 1.000 30.227 53.211 24.076 -99.200 -91.000 PHE 39 1.000 23.690 54.876 17.775 -99.200 -91.000 TYR 49 0.840 16.280 47.395 18.978 -99.200 -91.000 TYR 54 0.840 17.280 52.298 26.884 -99.200 -91.000 TRP 56 1.040 20.746 51.287 34.808 -99.200 -91.000 TRP6 56 1.020 19.803 49.243 35.525 -99.200 -91.000 TRP 63 1.040 34.038 48.554 34.951 -99.200 -91.000 TRP6 63 1.020 33.794 46.299 34.295 -99.200 -91.000 TYR 65 0.840 34.166 49.685 24.089 -99.200 -91.000 TYR 69 0.840 43.957 51.182 26.418 -99.200 -91.000 PHE 75 1.000 39.831 42.378 23.882 -99.200 -91.000 HIS 76 0.900 47.444 49.367 26.279 -99.200 -91.000 PHE 90 1.000 25.652 60.774 25.270 -99.200 -91.000 HIS 94 0.900 25.097 64.941 26.574 -99.200 -91.000 PHE 106 1.000 16.377 53.011 32.828 -99.200 -91.000 PHE 122 1.000 19.818 49.530 40.980 -99.200 -91.000 PHE 126 1.000 25.752 49.413 36.364 -99.200 -91.000 TYR 127 0.840 28.784 60.044 36.092 -99.200 -91.000 TRP 135 1.040 42.486 58.462 38.158 -99.200 -91.000 TRP6 135 1.020 42.886 56.723 39.700 -99.200 -91.000 TYR 143 0.840 38.088 61.086 32.508 -99.200 -91.000 HIS 156 0.900 23.326 62.144 52.336 -99.200 -91.000 TRP 157 1.040 20.897 60.455 46.824 -99.200 -91.000 TRP6 157 1.020 21.623 60.470 44.577 -99.200 -91.000 TYR 203 0.840 34.582 54.864 49.369 -99.200 -91.000 HIS 208 0.900 31.743 43.996 58.456 -99.200 -91.000 TRP 209 1.040 25.658 48.650 56.182 -99.200 -91.000 TRP6 209 1.020 24.648 49.083 54.081 -99.200 -91.000 HIS 217 0.900 18.608 40.812 50.639 -99.200 -91.000 HIS 243 0.900 11.241 38.573 42.585 -99.200 -91.000 HIS 248 0.900 19.999 40.770 41.359 -99.200 -91.000 TRP 254 1.040 30.283 37.243 40.114 -99.200 -91.000 TRP6 254 1.020 31.800 39.059 39.988 -99.200 -91.000 PHE 255 1.000 28.971 41.798 42.064 -99.200 -91.000 HIS 259 0.900 34.169 42.565 51.014 -99.200 -91.000 HIS 271 0.900 26.577 31.177 55.136 -99.200 -91.000 PHE 276 1.000 24.613 34.752 49.334 -99.200 -91.000 PHE 281 1.000 23.357 24.990 38.653 -99.200 -91.000 TRP 285 1.040 19.865 22.873 35.562 -99.200 -91.000 TRP6 285 1.020 21.234 24.220 34.186 -99.200 -91.000 HIS 289 0.900 11.719 22.058 28.853 -99.200 -91.000 PHE 293 1.000 12.665 27.110 36.205 -99.200 -91.000 TYR 294 0.840 14.401 37.665 34.644 -99.200 -91.000 PHE 295 1.000 12.025 37.887 37.566 -99.200 -91.000 TRP 308 1.040 7.125 31.857 35.867 -99.200 -91.000 TRP6 308 1.020 8.102 29.732 36.228 -99.200 -91.000 TRP 313 1.040 22.757 38.659 28.770 -99.200 -91.000 TRP6 313 1.020 20.811 39.877 29.349 -99.200 -91.000 TRP 314 1.040 20.558 39.240 33.727 -99.200 -91.000 TRP6 314 1.020 20.518 38.848 36.061 -99.200 -91.000 HIS 316 0.900 21.405 30.652 32.079 -99.200 -91.000 PHE 323 1.000 27.904 27.406 39.703 -99.200 -91.000 TYR 327 0.840 38.389 23.992 40.391 -99.200 -91.000 PHE 339 1.000 33.445 27.584 33.784 -99.200 -91.000 TYR 340 0.840 34.812 21.772 33.164 -99.200 -91.000 TYR 345 0.840 20.984 26.250 29.219 -99.200 -91.000 PHE 347 1.000 31.074 29.807 25.384 -99.200 -91.000 PHE 350 1.000 21.281 32.294 27.291 -99.200 -91.000 TYR 355 0.840 23.501 38.046 11.199 -99.200 -91.000 TRP 358 1.040 27.296 35.064 23.887 -99.200 -91.000 TRP6 358 1.020 27.702 34.299 26.084 -99.200 -91.000 PHE 359 1.000 20.015 34.937 19.006 -99.200 -91.000 TYR 361 0.840 16.075 39.678 26.904 -99.200 -91.000 PHE 377 1.000 15.463 46.953 31.149 -99.200 -91.000 PHE 381 1.000 28.379 45.215 33.571 -99.200 -91.000 HIS 382 0.900 25.021 41.231 33.585 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1fp3A1 MET 1 HA 0.02 -0.02 0.25 -0.75 4.52 4.01 1fp3A1 MET 1 HB2 0.03 0.07 0.08 -0.04 2.15 2.29 1fp3A1 MET 1 HB3 0.02 -0.22 -0.06 -0.04 2.03 1.73 1fp3A1 MET 1 HG2 0.02 -0.00 0.04 -0.04 2.63 2.64 1fp3A1 MET 1 HG3 0.01 -0.03 0.08 -0.04 2.56 2.59 1fp3A1 MET 1 HE3 0.01 0.01 0.05 -0.04 2.10 2.14 1fp3A1 GLU 2 H 0.01 0.15 0.10 -0.55 8.60 8.32 1fp3A1 GLU 2 HA 0.02 0.11 0.37 -0.75 4.29 4.02 1fp3A1 GLU 2 HB2 0.01 0.05 0.15 -0.04 2.09 2.25 1fp3A1 GLU 2 HB3 0.01 -0.04 0.08 -0.04 1.99 1.99 1fp3A1 GLU 2 HG2 0.00 0.03 0.01 -0.04 2.34 2.33 1fp3A1 GLU 2 HG3 0.00 -0.01 -0.10 -0.04 2.34 2.19 1fp3A1 LYS 3 H 0.01 0.07 -0.17 -0.55 8.42 7.78 1fp3A1 LYS 3 HA 0.00 0.05 0.32 -0.75 4.32 3.95 1fp3A1 LYS 3 HB2 0.01 -0.01 0.09 -0.04 1.87 1.92 1fp3A1 LYS 3 HB3 0.02 -0.05 0.05 -0.04 1.79 1.78 1fp3A1 LYS 3 HG2 0.00 0.02 -0.01 -0.04 1.46 1.43 1fp3A1 LYS 3 HG3 0.01 0.02 -0.11 -0.04 1.46 1.34 1fp3A1 LYS 3 HD2 -0.01 -0.01 0.06 -0.04 1.69 1.69 1fp3A1 LYS 3 HD3 -0.01 -0.01 0.01 -0.04 1.68 1.64 1fp3A1 LYS 3 HE2 -0.02 0.01 -0.02 -0.04 2.99 2.93 1fp3A1 LYS 3 HE3 -0.02 0.01 -0.04 -0.04 2.99 2.90 1fp3A1 GLU 4 H 0.04 0.12 -0.19 -0.55 8.60 8.01 1fp3A1 GLU 4 HA 0.08 -0.00 0.35 -0.75 4.29 3.97 1fp3A1 GLU 4 HB2 0.05 0.01 0.13 -0.04 2.09 2.24 1fp3A1 GLU 4 HB3 0.07 0.09 0.06 -0.04 1.99 2.17 1fp3A1 GLU 4 HG2 0.10 -0.05 0.01 -0.04 2.34 2.36 1fp3A1 GLU 4 HG3 0.07 -0.03 0.02 -0.04 2.34 2.36 1fp3A1 ARG 5 H 0.05 0.56 -0.02 -0.55 8.46 8.50 1fp3A1 ARG 5 HA 0.06 -0.04 0.35 -0.75 4.34 3.96 1fp3A1 ARG 5 HB2 0.04 0.05 0.05 -0.04 1.90 2.00 1fp3A1 ARG 5 HB3 0.03 0.09 0.10 -0.04 1.80 1.98 1fp3A1 ARG 5 HG2 0.03 -0.01 -0.31 -0.04 1.67 1.34 1fp3A1 ARG 5 HG3 0.03 -0.07 -0.08 -0.04 1.67 1.51 1fp3A1 ARG 5 HD2 0.02 0.01 -0.07 -0.04 3.22 3.14 1fp3A1 ARG 5 HD3 0.02 -0.04 -0.06 -0.04 3.22 3.09 1fp3A1 GLU 6 H 0.03 0.72 -0.13 -0.55 8.60 8.68 1fp3A1 GLU 6 HA 0.02 -0.01 0.45 -0.75 4.29 3.99 1fp3A1 GLU 6 HB2 -0.00 0.09 0.10 -0.04 2.09 2.24 1fp3A1 GLU 6 HB3 -0.01 -0.06 0.04 -0.04 1.99 1.91 1fp3A1 GLU 6 HG2 0.01 -0.06 0.03 -0.04 2.34 2.27 1fp3A1 GLU 6 HG3 0.01 0.37 0.05 -0.04 2.34 2.73 1fp3A1 THR 7 H 0.03 0.55 -0.05 -0.55 8.28 8.26 1fp3A1 THR 7 HA -0.04 0.00 0.46 -0.75 4.39 4.05 1fp3A1 THR 7 HB 0.08 0.15 0.17 -0.04 4.32 4.68 1fp3A1 THR 7 HG23 -0.20 -0.03 -0.06 -0.04 1.22 0.89 1fp3A1 LEU 8 H 0.13 0.54 -0.13 -0.55 8.37 8.36 1fp3A1 LEU 8 HA 0.32 -0.00 0.42 -0.75 4.35 4.33 1fp3A1 LEU 8 HB2 0.11 0.13 0.11 -0.04 1.64 1.95 1fp3A1 LEU 8 HB3 0.12 -0.05 -0.03 -0.04 1.64 1.64 1fp3A1 LEU 8 HG 0.17 0.17 -0.06 -0.04 1.64 1.89 1fp3A1 LEU 8 HD13 0.11 -0.01 -0.13 -0.04 0.93 0.86 1fp3A1 LEU 8 HD23 0.17 -0.02 -0.06 -0.04 0.89 0.94 1fp3A1 GLN 9 H 0.08 0.71 0.01 -0.55 8.47 8.73 1fp3A1 GLN 9 HA 0.07 0.00 0.36 -0.75 4.36 4.04 1fp3A1 GLN 9 HB2 0.03 0.13 0.21 -0.04 2.15 2.48 1fp3A1 GLN 9 HB3 0.03 -0.03 -0.05 -0.04 2.02 1.93 1fp3A1 GLN 9 HG2 0.03 -0.03 0.03 -0.04 2.40 2.39 1fp3A1 GLN 9 HG3 0.04 0.01 0.04 -0.04 2.39 2.45 1fp3A1 GLN 9 HE21 0.01 -0.02 -0.02 -0.04 6.97 6.89 1fp3A1 GLN 9 HE22 0.01 -0.02 -0.02 -0.04 7.69 7.62 1fp3A1 ALA 10 H 0.02 0.56 -0.28 -0.55 8.40 8.16 1fp3A1 ALA 10 HA -0.05 -0.01 0.39 -0.75 4.34 3.92 1fp3A1 ALA 10 HB3 -0.16 0.06 0.12 -0.04 1.41 1.39 1fp3A1 TRP 11 H 0.20 0.62 -0.03 -0.55 7.97 8.20 1fp3A1 TRP 11 HA -0.01 -0.02 0.46 -0.75 4.62 4.31 1fp3A1 TRP 11 HB2 0.17 0.16 0.21 -0.04 3.23 3.72 1fp3A1 TRP 11 HB3 0.21 -0.05 -0.04 -0.04 3.23 3.31 1fp3A1 TRP 11 HD1 0.18 0.05 -0.03 -0.04 7.22 7.37 1fp3A1 TRP 11 HE1 -0.07 -0.01 -0.01 -0.04 10.20 10.07 1fp3A1 TRP 11 HE3 -0.13 -0.11 0.10 -0.04 7.59 7.41 1fp3A1 TRP 11 HZ2 -0.10 0.03 -0.12 -0.04 7.44 7.21 1fp3A1 TRP 11 HZ3 -1.68 -0.02 -0.05 -0.04 7.13 5.33 1fp3A1 TRP 11 HH2 -0.45 0.14 -0.24 -0.04 7.19 6.60 1fp3A1 LYS 12 H 0.24 0.83 -0.11 -0.55 8.42 8.82 1fp3A1 LYS 12 HA 0.20 -0.03 0.42 -0.75 4.32 4.15 1fp3A1 LYS 12 HB2 0.12 -0.06 0.05 -0.04 1.87 1.93 1fp3A1 LYS 12 HB3 0.11 0.15 0.13 -0.04 1.79 2.15 1fp3A1 LYS 12 HG2 0.08 0.02 -0.18 -0.04 1.46 1.34 1fp3A1 LYS 12 HG3 0.10 -0.07 0.09 -0.04 1.46 1.54 1fp3A1 LYS 12 HD2 0.06 0.02 0.05 -0.04 1.69 1.78 1fp3A1 LYS 12 HD3 0.06 -0.00 -0.13 -0.04 1.68 1.57 1fp3A1 LYS 12 HE2 0.04 0.01 0.03 -0.04 2.99 3.03 1fp3A1 LYS 12 HE3 0.04 0.01 -0.03 -0.04 2.99 2.97 1fp3A1 GLU 13 H 0.10 0.53 -0.28 -0.55 8.60 8.40 1fp3A1 GLU 13 HA 0.08 0.00 0.49 -0.75 4.29 4.12 1fp3A1 GLU 13 HB2 0.04 0.13 0.14 -0.04 2.09 2.36 1fp3A1 GLU 13 HB3 0.01 0.13 0.14 -0.04 1.99 2.24 1fp3A1 GLU 13 HG2 0.01 -0.02 -0.03 -0.04 2.34 2.27 1fp3A1 GLU 13 HG3 0.04 -0.08 0.06 -0.04 2.34 2.33 1fp3A1 ARG 14 H 0.08 0.50 -0.07 -0.55 8.46 8.42 1fp3A1 ARG 14 HA 0.09 0.03 0.45 -0.75 4.34 4.16 1fp3A1 ARG 14 HB2 -0.20 0.17 0.19 -0.04 1.90 2.02 1fp3A1 ARG 14 HB3 0.05 0.00 0.08 -0.04 1.80 1.90 1fp3A1 ARG 14 HG2 -0.05 -0.04 -0.02 -0.04 1.67 1.52 1fp3A1 ARG 14 HG3 -0.12 -0.01 0.03 -0.04 1.67 1.52 1fp3A1 ARG 14 HD2 -1.59 -0.01 -0.03 -0.04 3.22 1.55 1fp3A1 ARG 14 HD3 -0.57 0.00 -0.03 -0.04 3.22 2.58 1fp3A1 VAL 15 H 0.34 0.67 0.01 -0.55 8.24 8.72 1fp3A1 VAL 15 HA 0.62 0.01 0.44 -0.75 4.13 4.45 1fp3A1 VAL 15 HB 0.35 -0.06 0.09 -0.04 2.12 2.46 1fp3A1 VAL 15 HG13 0.46 0.06 0.03 -0.04 0.97 1.48 1fp3A1 VAL 15 HG23 0.23 0.03 -0.02 -0.04 0.95 1.16 1fp3A1 GLY 16 H 0.21 0.47 -0.27 -0.55 8.43 8.29 1fp3A1 GLY 16 HA2 0.18 0.01 0.41 -0.51 4.01 4.11 1fp3A1 GLY 16 HA3 0.15 0.15 0.32 -0.51 4.01 4.12 1fp3A1 GLN 17 H 0.17 0.58 -0.14 -0.55 8.47 8.53 1fp3A1 GLN 17 HA 0.12 0.02 0.43 -0.75 4.36 4.18 1fp3A1 GLN 17 HB2 0.15 0.16 0.16 -0.04 2.15 2.57 1fp3A1 GLN 17 HB3 0.12 -0.06 0.02 -0.04 2.02 2.06 1fp3A1 GLN 17 HG2 0.07 -0.07 0.05 -0.04 2.40 2.41 1fp3A1 GLN 17 HG3 0.08 0.20 0.13 -0.04 2.39 2.76 1fp3A1 GLN 17 HE21 0.03 -0.02 -0.01 -0.04 6.97 6.93 1fp3A1 GLN 17 HE22 0.04 -0.02 0.01 -0.04 7.69 7.67 1fp3A1 GLU 18 H 0.29 0.41 -0.36 -0.55 8.60 8.39 1fp3A1 GLU 18 HA 0.25 0.03 0.45 -0.75 4.29 4.26 1fp3A1 GLU 18 HB2 0.54 0.17 0.13 -0.04 2.09 2.88 1fp3A1 GLU 18 HB3 0.45 0.09 0.16 -0.04 1.99 2.64 1fp3A1 GLU 18 HG2 0.41 0.00 -0.04 -0.04 2.34 2.67 1fp3A1 GLU 18 HG3 0.34 -0.11 -0.16 -0.04 2.34 2.37 1fp3A1 LEU 19 H 0.24 0.71 -0.09 -0.55 8.37 8.68 1fp3A1 LEU 19 HA 0.11 -0.09 0.33 -0.75 4.35 3.95 1fp3A1 LEU 19 HB2 0.16 0.01 0.06 -0.04 1.64 1.83 1fp3A1 LEU 19 HB3 0.24 0.21 0.14 -0.04 1.64 2.19 1fp3A1 LEU 19 HG 0.11 -0.01 -0.21 -0.04 1.64 1.49 1fp3A1 LEU 19 HD13 -0.06 -0.03 0.04 -0.04 0.93 0.84 1fp3A1 LEU 19 HD23 0.14 0.00 -0.07 -0.04 0.89 0.93 1fp3A1 ASP 20 H 0.22 0.46 -0.33 -0.55 8.40 8.20 1fp3A1 ASP 20 HA 0.35 0.00 0.34 -0.75 4.63 4.56 1fp3A1 ASP 20 HB2 0.13 0.23 0.17 -0.04 2.71 3.21 1fp3A1 ASP 20 HB3 0.10 -0.04 -0.01 -0.04 2.70 2.71 1fp3A1 ARG 21 H 0.17 0.45 -0.20 -0.55 8.46 8.33 1fp3A1 ARG 21 HA 0.13 0.04 0.49 -0.75 4.34 4.25 1fp3A1 ARG 21 HB2 0.13 0.03 0.12 -0.04 1.90 2.14 1fp3A1 ARG 21 HB3 0.17 0.10 0.27 -0.04 1.80 2.29 1fp3A1 ARG 21 HG2 0.13 -0.17 -0.23 -0.04 1.67 1.36 1fp3A1 ARG 21 HG3 0.12 0.03 -0.00 -0.04 1.67 1.77 1fp3A1 ARG 21 HD2 0.12 0.04 -0.01 -0.04 3.22 3.32 1fp3A1 ARG 21 HD3 0.13 -0.06 -0.04 -0.04 3.22 3.21 1fp3A1 VAL 22 H 0.15 0.79 0.11 -0.55 8.24 8.73 1fp3A1 VAL 22 HA 0.10 -0.02 0.51 -0.75 4.13 3.97 1fp3A1 VAL 22 HB -0.04 -0.10 0.13 -0.04 2.12 2.08 1fp3A1 VAL 22 HG13 -0.03 0.07 -0.04 -0.04 0.97 0.94 1fp3A1 VAL 22 HG23 0.11 -0.01 -0.20 -0.04 0.95 0.81 1fp3A1 MET 23 H 0.18 0.63 -0.28 -0.55 8.47 8.45 1fp3A1 MET 23 HA 0.26 -0.03 0.49 -0.75 4.52 4.48 1fp3A1 MET 23 HB2 0.24 0.26 0.17 -0.04 2.15 2.77 1fp3A1 MET 23 HB3 0.14 -0.05 -0.02 -0.04 2.03 2.07 1fp3A1 MET 23 HG2 -0.09 0.07 0.03 -0.04 2.63 2.60 1fp3A1 MET 23 HG3 -0.60 -0.01 -0.03 -0.04 2.56 1.88 1fp3A1 MET 23 HE3 -0.18 -0.01 0.02 -0.04 2.10 1.89 1fp3A1 ALA 24 H 0.19 0.48 -0.17 -0.55 8.40 8.35 1fp3A1 ALA 24 HA 0.10 -0.02 0.40 -0.75 4.34 4.07 1fp3A1 ALA 24 HB3 0.11 0.07 0.15 -0.04 1.41 1.69 1fp3A1 PHE 25 H 0.26 0.32 -0.32 -0.55 8.34 8.05 1fp3A1 PHE 25 HA 0.06 0.10 0.38 -0.75 4.62 4.41 1fp3A1 PHE 25 HB2 -0.04 0.04 0.06 -0.04 3.15 3.16 1fp3A1 PHE 25 HB3 -0.22 0.10 0.13 -0.04 3.06 3.03 1fp3A1 PHE 25 HD2 -0.74 0.07 -0.19 -0.04 7.28 6.37 1fp3A1 PHE 25 HE2 -0.61 -0.01 -0.27 -0.04 7.38 6.46 1fp3A1 PHE 25 HZ -0.39 -0.02 -0.18 -0.04 7.32 6.69 1fp3A1 TRP 26 H 0.34 0.39 -0.10 -0.55 7.97 8.05 1fp3A1 TRP 26 HA 0.12 -0.01 0.44 -0.75 4.62 4.42 1fp3A1 TRP 26 HB2 0.15 0.13 0.15 -0.04 3.23 3.61 1fp3A1 TRP 26 HB3 0.20 -0.05 0.04 -0.04 3.23 3.37 1fp3A1 TRP 26 HD1 0.11 0.29 0.07 -0.04 7.22 7.65 1fp3A1 TRP 26 HE1 -0.00 -0.06 0.00 -0.04 10.20 10.10 1fp3A1 TRP 26 HE3 0.12 -0.00 0.06 -0.04 7.59 7.73 1fp3A1 TRP 26 HZ2 0.02 0.14 -0.17 -0.04 7.44 7.40 1fp3A1 TRP 26 HZ3 0.13 0.11 0.10 -0.04 7.13 7.42 1fp3A1 TRP 26 HH2 0.09 0.09 0.10 -0.04 7.19 7.42 1fp3A1 LEU 27 H 0.16 0.52 -0.28 -0.55 8.37 8.23 1fp3A1 LEU 27 HA -0.09 -0.00 0.44 -0.75 4.35 3.95 1fp3A1 LEU 27 HB2 0.06 0.18 0.17 -0.04 1.64 2.01 1fp3A1 LEU 27 HB3 -0.02 -0.01 -0.05 -0.04 1.64 1.53 1fp3A1 LEU 27 HG 0.07 -0.07 -0.03 -0.04 1.64 1.57 1fp3A1 LEU 27 HD13 0.07 -0.02 -0.05 -0.04 0.93 0.89 1fp3A1 LEU 27 HD23 0.06 0.02 -0.09 -0.04 0.89 0.83 1fp3A1 GLU 28 H -0.19 0.49 -0.15 -0.55 8.60 8.21 1fp3A1 GLU 28 HA -0.22 0.15 0.91 -0.75 4.29 4.38 1fp3A1 GLU 28 HB2 -0.26 -0.07 0.15 -0.04 2.09 1.86 1fp3A1 GLU 28 HB3 -0.21 0.02 0.09 -0.04 1.99 1.85 1fp3A1 GLU 28 HG2 -0.80 0.17 0.04 -0.04 2.34 1.71 1fp3A1 GLU 28 HG3 -1.37 -0.04 -0.26 -0.04 2.34 0.63 1fp3A1 HIS 29 H -0.22 0.17 -0.16 -0.55 8.41 7.66 1fp3A1 HIS 29 HA -0.12 0.25 1.21 -0.75 4.63 5.22 1fp3A1 HIS 29 HB2 -0.69 0.03 0.06 -0.04 3.26 2.63 1fp3A1 HIS 29 HB3 -0.35 0.09 0.06 -0.04 3.20 2.96 1fp3A1 HIS 29 HD2 -0.18 -0.05 -0.02 -0.04 6.97 6.67 1fp3A1 HIS 29 HE1 -0.19 0.02 -0.02 -0.04 7.75 7.52 1fp3A1 SER 30 H 0.12 0.32 0.14 -0.55 8.46 8.49 1fp3A1 SER 30 HA 0.38 0.19 0.88 -0.75 4.49 5.17 1fp3A1 SER 30 HB2 0.56 -0.12 0.21 -0.04 3.95 4.55 1fp3A1 SER 30 HB3 0.60 -0.01 0.14 -0.04 3.93 4.63 1fp3A1 HIS 31 H 0.21 0.19 -0.26 -0.55 8.41 8.00 1fp3A1 HIS 31 HA 0.09 0.15 0.76 -0.75 4.63 4.87 1fp3A1 HIS 31 HB2 0.11 0.04 0.08 -0.04 3.26 3.44 1fp3A1 HIS 31 HB3 0.05 -0.04 -0.08 -0.04 3.20 3.09 1fp3A1 HIS 31 HD2 0.53 -0.09 -0.30 -0.04 6.97 7.06 1fp3A1 HIS 31 HE1 0.30 -0.03 0.02 -0.04 7.75 7.99 1fp3A1 ASP 32 H -0.32 0.62 0.19 -0.55 8.40 8.35 1fp3A1 ASP 32 HA -0.16 0.09 0.65 -0.75 4.63 4.45 1fp3A1 ASP 32 HB2 -1.38 0.00 -0.15 -0.04 2.71 1.14 1fp3A1 ASP 32 HB3 -0.59 0.25 -0.16 -0.04 2.70 2.16 1fp3A1 ARG 33 H 0.04 0.35 -0.01 -0.55 8.46 8.28 1fp3A1 ARG 33 HA -0.05 0.10 0.39 -0.75 4.34 4.03 1fp3A1 ARG 33 HB2 0.04 0.01 0.08 -0.04 1.90 1.99 1fp3A1 ARG 33 HB3 0.01 0.02 -0.01 -0.04 1.80 1.78 1fp3A1 ARG 33 HG2 0.04 -0.00 -0.00 -0.04 1.67 1.66 1fp3A1 ARG 33 HG3 0.05 -0.02 -0.09 -0.04 1.67 1.56 1fp3A1 ARG 33 HD2 0.07 -0.01 -0.00 -0.04 3.22 3.24 1fp3A1 ARG 33 HD3 0.13 0.05 -0.03 -0.04 3.22 3.33 1fp3A1 GLU 34 H 0.02 0.01 -0.24 -0.55 8.60 7.85 1fp3A1 GLU 34 HA -0.08 0.15 0.56 -0.75 4.29 4.18 1fp3A1 GLU 34 HB2 0.15 -0.04 0.04 -0.04 2.09 2.19 1fp3A1 GLU 34 HB3 -0.08 0.03 -0.02 -0.04 1.99 1.88 1fp3A1 GLU 34 HG2 0.06 0.01 -0.01 -0.04 2.34 2.36 1fp3A1 GLU 34 HG3 0.00 0.04 -0.03 -0.04 2.34 2.32 1fp3A1 HIS 35 H 0.01 0.00 -0.17 -0.55 8.41 7.72 1fp3A1 HIS 35 HA 0.03 0.24 1.03 -0.75 4.63 5.17 1fp3A1 HIS 35 HB2 -0.08 0.03 -0.02 -0.04 3.26 3.15 1fp3A1 HIS 35 HB3 0.09 0.08 0.10 -0.04 3.20 3.44 1fp3A1 HIS 35 HD2 0.03 -0.09 -0.19 -0.04 6.97 6.67 1fp3A1 HIS 35 HE1 0.03 -0.02 -0.04 -0.04 7.75 7.67 1fp3A1 GLY 36 H -0.13 0.34 0.01 -0.55 8.43 8.09 1fp3A1 GLY 36 HA2 -0.21 -0.03 0.36 -0.51 4.01 3.62 1fp3A1 GLY 36 HA3 -0.01 0.13 0.66 -0.51 4.01 4.28 1fp3A1 GLY 37 H -0.57 0.07 -0.04 -0.55 8.43 7.34 1fp3A1 GLY 37 HA2 -0.85 -0.04 0.36 -0.51 4.01 2.98 1fp3A1 GLY 37 HA3 -1.09 0.18 0.62 -0.51 4.01 3.22 1fp3A1 PHE 38 H -0.33 0.10 0.15 -0.55 8.34 7.71 1fp3A1 PHE 38 HA -0.27 0.31 1.12 -0.75 4.62 5.02 1fp3A1 PHE 38 HB2 -0.05 -0.13 -0.11 -0.04 3.15 2.82 1fp3A1 PHE 38 HB3 0.09 0.13 0.05 -0.04 3.06 3.29 1fp3A1 PHE 38 HD2 -0.04 0.00 -0.12 -0.04 7.28 7.08 1fp3A1 PHE 38 HE2 -0.42 0.01 -0.10 -0.04 7.38 6.82 1fp3A1 PHE 38 HZ -0.49 0.05 -0.26 -0.04 7.32 6.58 1fp3A1 PHE 39 H 0.22 0.63 0.28 -0.55 8.34 8.92 1fp3A1 PHE 39 HA 0.03 0.13 0.68 -0.75 4.62 4.71 1fp3A1 PHE 39 HB2 0.09 0.08 0.12 -0.04 3.15 3.40 1fp3A1 PHE 39 HB3 0.01 -0.03 -0.04 -0.04 3.06 2.95 1fp3A1 PHE 39 HD2 0.00 0.09 -0.10 -0.04 7.28 7.24 1fp3A1 PHE 39 HE2 -0.02 0.01 -0.04 -0.04 7.38 7.29 1fp3A1 PHE 39 HZ -0.00 -0.06 -0.04 -0.04 7.32 7.18 1fp3A1 THR 40 H 0.23 0.14 0.15 -0.55 8.28 8.25 1fp3A1 THR 40 HA 0.55 0.27 0.94 -0.75 4.39 5.39 1fp3A1 THR 40 HB 0.27 0.09 0.17 -0.04 4.32 4.81 1fp3A1 THR 40 HG23 0.16 -0.01 -0.16 -0.04 1.22 1.17 1fp3A1 CYS 41 H 0.05 0.09 0.00 -0.55 8.50 8.09 1fp3A1 CYS 41 HA -0.21 0.17 0.32 -0.75 4.58 4.12 1fp3A1 CYS 41 HB2 -0.39 0.24 0.26 -0.04 2.97 3.04 1fp3A1 CYS 41 HB3 -1.63 -0.05 0.11 -0.04 2.97 1.36 1fp3A1 LEU 42 H 0.11 0.57 0.03 -0.55 8.37 8.55 1fp3A1 LEU 42 HA 0.00 0.21 0.68 -0.75 4.35 4.49 1fp3A1 LEU 42 HB2 0.02 -0.03 -0.07 -0.04 1.64 1.52 1fp3A1 LEU 42 HB3 -0.04 0.02 -0.20 -0.04 1.64 1.37 1fp3A1 LEU 42 HG 0.10 -0.09 -0.54 -0.04 1.64 1.07 1fp3A1 LEU 42 HD13 -0.36 0.00 -0.20 -0.04 0.93 0.33 1fp3A1 LEU 42 HD23 -0.04 0.12 -0.40 -0.04 0.89 0.53 1fp3A1 GLY 43 H 0.10 0.96 0.14 -0.55 8.43 9.08 1fp3A1 GLY 43 HA2 0.07 0.05 0.43 -0.51 4.01 4.05 1fp3A1 GLY 43 HA3 0.03 0.01 0.36 -0.51 4.01 3.91 1fp3A1 ARG 44 H -0.04 0.10 0.11 -0.55 8.46 8.08 1fp3A1 ARG 44 HA -0.06 0.25 0.46 -0.75 4.34 4.23 1fp3A1 ARG 44 HB2 0.13 0.19 0.20 -0.04 1.90 2.38 1fp3A1 ARG 44 HB3 -0.05 -0.15 0.15 -0.04 1.80 1.72 1fp3A1 ARG 44 HG2 -0.09 -0.05 -0.13 -0.04 1.67 1.36 1fp3A1 ARG 44 HG3 0.02 0.05 -0.13 -0.04 1.67 1.57 1fp3A1 ARG 44 HD2 0.55 0.07 0.08 -0.04 3.22 3.88 1fp3A1 ARG 44 HD3 0.23 -0.05 0.02 -0.04 3.22 3.38 1fp3A1 ASP 45 H -0.26 -0.05 -0.20 -0.55 8.40 7.35 1fp3A1 ASP 45 HA -0.76 0.25 0.62 -0.75 4.63 3.99 1fp3A1 ASP 45 HB2 -0.41 0.09 0.11 -0.04 2.71 2.45 1fp3A1 ASP 45 HB3 -0.95 0.02 0.03 -0.04 2.70 1.77 1fp3A1 GLY 46 H -0.11 0.37 -0.62 -0.55 8.43 7.53 1fp3A1 GLY 46 HA2 -0.40 0.05 0.13 -0.51 4.01 3.27 1fp3A1 GLY 46 HA3 -1.40 0.23 0.57 -0.51 4.01 2.90 1fp3A1 ARG 47 H -0.18 -0.10 -0.31 -0.55 8.46 7.32 1fp3A1 ARG 47 HA -0.11 0.16 0.45 -0.75 4.34 4.09 1fp3A1 ARG 47 HB2 -0.10 -0.11 0.02 -0.04 1.90 1.67 1fp3A1 ARG 47 HB3 -0.04 0.01 -0.12 -0.04 1.80 1.62 1fp3A1 ARG 47 HG2 -0.06 -0.01 -0.02 -0.04 1.67 1.53 1fp3A1 ARG 47 HG3 -0.05 0.04 -0.01 -0.04 1.67 1.61 1fp3A1 ARG 47 HD2 -0.04 0.01 0.02 -0.04 3.22 3.17 1fp3A1 ARG 47 HD3 -0.07 0.06 -0.01 -0.04 3.22 3.16 1fp3A1 VAL 48 H -0.12 0.17 0.18 -0.55 8.24 7.92 1fp3A1 VAL 48 HA -0.16 0.26 0.61 -0.75 4.13 4.08 1fp3A1 VAL 48 HB -0.31 -0.05 0.14 -0.04 2.12 1.85 1fp3A1 VAL 48 HG13 -0.50 -0.04 -0.15 -0.04 0.97 0.24 1fp3A1 VAL 48 HG23 -0.37 0.02 0.01 -0.04 0.95 0.57 1fp3A1 TYR 49 H -0.38 0.64 0.32 -0.55 8.29 8.33 1fp3A1 TYR 49 HA -0.06 0.21 0.91 -0.75 4.56 4.87 1fp3A1 TYR 49 HB2 -0.02 -0.03 0.13 -0.04 3.06 3.10 1fp3A1 TYR 49 HB3 -0.03 -0.02 -0.04 -0.04 2.98 2.85 1fp3A1 TYR 49 HD2 -0.00 -0.00 -0.23 -0.04 7.15 6.87 1fp3A1 TYR 49 HE2 0.03 0.11 -0.20 -0.04 6.85 6.75 1fp3A1 ASP 50 H -0.32 0.35 0.07 -0.55 8.40 7.95 1fp3A1 ASP 50 HA -0.06 0.10 0.51 -0.75 4.63 4.43 1fp3A1 ASP 50 HB2 -0.00 0.11 -0.27 -0.04 2.71 2.50 1fp3A1 ASP 50 HB3 -0.13 -0.07 -0.00 -0.04 2.70 2.46 1fp3A1 ASP 51 H -0.05 0.15 0.10 -0.55 8.40 8.05 1fp3A1 ASP 51 HA 0.03 0.28 0.98 -0.75 4.63 5.16 1fp3A1 ASP 51 HB2 0.19 0.05 0.17 -0.04 2.71 3.08 1fp3A1 ASP 51 HB3 -0.11 0.04 -0.01 -0.04 2.70 2.58 1fp3A1 LEU 52 H -0.03 -0.01 -0.18 -0.55 8.37 7.60 1fp3A1 LEU 52 HA -0.11 0.09 0.50 -0.75 4.35 4.08 1fp3A1 LEU 52 HB2 -0.16 -0.07 -0.00 -0.04 1.64 1.37 1fp3A1 LEU 52 HB3 -0.53 0.04 -0.07 -0.04 1.64 1.04 1fp3A1 LEU 52 HG -0.06 -0.08 0.00 -0.04 1.64 1.46 1fp3A1 LEU 52 HD13 -0.07 0.00 -0.06 -0.04 0.93 0.77 1fp3A1 LEU 52 HD23 -0.11 0.01 -0.08 -0.04 0.89 0.66 1fp3A1 LYS 53 H -0.20 0.81 0.19 -0.55 8.42 8.67 1fp3A1 LYS 53 HA -0.06 0.18 0.88 -0.75 4.32 4.56 1fp3A1 LYS 53 HB2 0.02 -0.03 0.06 -0.04 1.87 1.88 1fp3A1 LYS 53 HB3 -0.05 -0.03 -0.07 -0.04 1.79 1.60 1fp3A1 LYS 53 HG2 -0.11 -0.03 -0.41 -0.04 1.46 0.87 1fp3A1 LYS 53 HG3 -0.11 0.16 -0.10 -0.04 1.46 1.37 1fp3A1 LYS 53 HD2 -0.86 -0.02 -0.02 -0.04 1.69 0.75 1fp3A1 LYS 53 HD3 -0.27 0.11 0.03 -0.04 1.68 1.50 1fp3A1 LYS 53 HE2 -0.67 -0.10 -0.43 -0.04 2.99 1.74 1fp3A1 LYS 53 HE3 -0.28 -0.04 -0.22 -0.04 2.99 2.40 1fp3A1 TYR 54 H 0.08 0.21 0.04 -0.55 8.29 8.08 1fp3A1 TYR 54 HA -0.32 0.14 0.83 -0.75 4.56 4.46 1fp3A1 TYR 54 HB2 -0.18 -0.02 0.19 -0.04 3.06 3.01 1fp3A1 TYR 54 HB3 -0.49 0.00 0.14 -0.04 2.98 2.60 1fp3A1 TYR 54 HD2 -0.44 0.04 -0.05 -0.04 7.15 6.66 1fp3A1 TYR 54 HE2 -0.06 0.00 -0.11 -0.04 6.85 6.64 1fp3A1 VAL 55 H -0.13 0.46 0.24 -0.55 8.24 8.26 1fp3A1 VAL 55 HA 0.13 0.04 0.31 -0.75 4.13 3.85 1fp3A1 VAL 55 HB 0.16 -0.00 0.16 -0.04 2.12 2.39 1fp3A1 VAL 55 HG13 0.23 0.00 -0.03 -0.04 0.97 1.13 1fp3A1 VAL 55 HG23 0.06 0.06 -0.21 -0.04 0.95 0.82 1fp3A1 TRP 56 H 0.16 0.17 -0.19 -0.55 7.97 7.56 1fp3A1 TRP 56 HA -0.01 0.10 0.39 -0.75 4.62 4.35 1fp3A1 TRP 56 HB2 -0.15 -0.01 0.08 -0.04 3.23 3.10 1fp3A1 TRP 56 HB3 -0.38 0.01 -0.12 -0.04 3.23 2.71 1fp3A1 TRP 56 HD1 0.18 -0.00 -0.07 -0.04 7.22 7.29 1fp3A1 TRP 56 HE1 0.55 -0.12 -0.12 -0.04 10.20 10.48 1fp3A1 TRP 56 HE3 0.00 0.01 -0.04 -0.04 7.59 7.52 1fp3A1 TRP 56 HZ2 0.45 -0.05 -0.04 -0.04 7.44 7.76 1fp3A1 TRP 56 HZ3 0.10 0.02 -0.02 -0.04 7.13 7.19 1fp3A1 TRP 56 HH2 -0.09 0.01 -0.03 -0.04 7.19 7.04 1fp3A1 LEU 57 H 0.08 0.20 -0.13 -0.55 8.37 7.97 1fp3A1 LEU 57 HA -0.19 -0.01 0.38 -0.75 4.35 3.77 1fp3A1 LEU 57 HB2 0.04 0.15 -0.01 -0.04 1.64 1.77 1fp3A1 LEU 57 HB3 -0.05 -0.09 -0.01 -0.04 1.64 1.44 1fp3A1 LEU 57 HG 0.00 -0.02 0.01 -0.04 1.64 1.59 1fp3A1 LEU 57 HD13 -0.01 -0.01 -0.26 -0.04 0.93 0.61 1fp3A1 LEU 57 HD23 0.06 -0.04 -0.27 -0.04 0.89 0.59 1fp3A1 GLN 58 H 0.07 0.34 -0.40 -0.55 8.47 7.93 1fp3A1 GLN 58 HA 0.18 0.04 0.44 -0.75 4.36 4.27 1fp3A1 GLN 58 HB2 0.15 0.10 0.08 -0.04 2.15 2.43 1fp3A1 GLN 58 HB3 0.13 0.02 0.00 -0.04 2.02 2.14 1fp3A1 GLN 58 HG2 0.08 0.25 -0.22 -0.04 2.40 2.46 1fp3A1 GLN 58 HG3 0.11 0.04 -0.23 -0.04 2.39 2.26 1fp3A1 GLN 58 HE21 0.02 0.73 0.13 -0.04 6.97 7.81 1fp3A1 GLN 58 HE22 0.06 -0.15 -0.05 -0.04 7.69 7.51 1fp3A1 GLY 59 H 0.10 0.53 -0.05 -0.55 8.43 8.46 1fp3A1 GLY 59 HA2 0.10 0.03 0.34 -0.51 4.01 3.97 1fp3A1 GLY 59 HA3 0.13 0.09 0.20 -0.51 4.01 3.92 1fp3A1 ARG 60 H -0.21 0.48 -0.22 -0.55 8.46 7.96 1fp3A1 ARG 60 HA -0.21 0.02 0.38 -0.75 4.34 3.79 1fp3A1 ARG 60 HB2 -0.43 -0.01 0.05 -0.04 1.90 1.46 1fp3A1 ARG 60 HB3 -0.56 -0.04 -0.13 -0.04 1.80 1.03 1fp3A1 ARG 60 HG2 -2.21 -0.02 -0.03 -0.04 1.67 -0.63 1fp3A1 ARG 60 HG3 -1.42 0.16 0.02 -0.04 1.67 0.38 1fp3A1 ARG 60 HD2 -0.66 -0.05 -0.29 -0.04 3.22 2.18 1fp3A1 ARG 60 HD3 -0.97 -0.11 -0.14 -0.04 3.22 1.96 1fp3A1 GLN 61 H -0.16 0.61 -0.18 -0.55 8.47 8.19 1fp3A1 GLN 61 HA -0.22 0.16 0.55 -0.75 4.36 4.10 1fp3A1 GLN 61 HB2 -0.53 -0.09 0.17 -0.04 2.15 1.66 1fp3A1 GLN 61 HB3 -0.57 0.08 0.16 -0.04 2.02 1.65 1fp3A1 GLN 61 HG2 -2.47 0.03 -0.17 -0.04 2.40 -0.25 1fp3A1 GLN 61 HG3 -0.90 -0.03 0.10 -0.04 2.39 1.52 1fp3A1 GLN 61 HE21 0.10 0.04 -0.03 -0.04 6.97 7.04 1fp3A1 GLN 61 HE22 -0.57 0.01 -0.07 -0.04 7.69 7.01 1fp3A1 VAL 62 H 0.00 0.60 -0.17 -0.55 8.24 8.12 1fp3A1 VAL 62 HA -0.04 0.01 0.44 -0.75 4.13 3.79 1fp3A1 VAL 62 HB 0.08 0.10 0.17 -0.04 2.12 2.43 1fp3A1 VAL 62 HG13 -0.01 -0.00 -0.09 -0.04 0.97 0.82 1fp3A1 VAL 62 HG23 0.15 0.04 -0.04 -0.04 0.95 1.06 1fp3A1 TRP 63 H 0.27 0.57 -0.08 -0.55 7.97 8.17 1fp3A1 TRP 63 HA 0.02 0.02 0.39 -0.75 4.62 4.30 1fp3A1 TRP 63 HB2 0.05 -0.01 -0.11 -0.04 3.23 3.12 1fp3A1 TRP 63 HB3 0.07 0.08 0.15 -0.04 3.23 3.49 1fp3A1 TRP 63 HD1 0.07 0.19 -0.07 -0.04 7.22 7.37 1fp3A1 TRP 63 HE1 0.10 0.04 -0.05 -0.04 10.20 10.24 1fp3A1 TRP 63 HE3 0.24 0.12 -0.08 -0.04 7.59 7.83 1fp3A1 TRP 63 HZ2 0.13 0.03 -0.07 -0.04 7.44 7.49 1fp3A1 TRP 63 HZ3 0.03 -0.04 -0.06 -0.04 7.13 7.02 1fp3A1 TRP 63 HH2 0.06 -0.01 -0.07 -0.04 7.19 7.13 1fp3A1 MET 64 H 0.47 0.66 -0.12 -0.55 8.47 8.93 1fp3A1 MET 64 HA -0.16 -0.04 0.34 -0.75 4.52 3.90 1fp3A1 MET 64 HB2 0.44 0.11 0.20 -0.04 2.15 2.86 1fp3A1 MET 64 HB3 0.16 0.09 0.17 -0.04 2.03 2.41 1fp3A1 MET 64 HG2 0.02 -0.04 -0.13 -0.04 2.63 2.45 1fp3A1 MET 64 HG3 -0.03 -0.03 -0.19 -0.04 2.56 2.27 1fp3A1 MET 64 HE3 -0.21 0.00 -0.05 -0.04 2.10 1.81 1fp3A1 TYR 65 H 0.21 0.63 -0.15 -0.55 8.29 8.43 1fp3A1 TYR 65 HA -0.10 -0.02 0.42 -0.75 4.56 4.11 1fp3A1 TYR 65 HB2 -0.05 0.13 0.21 -0.04 3.06 3.31 1fp3A1 TYR 65 HB3 -0.04 -0.00 -0.04 -0.04 2.98 2.86 1fp3A1 TYR 65 HD2 -0.05 0.05 0.06 -0.04 7.15 7.17 1fp3A1 TYR 65 HE2 0.08 -0.03 -0.02 -0.04 6.85 6.83 1fp3A1 CYS 66 H -0.00 0.54 -0.11 -0.55 8.50 8.38 1fp3A1 CYS 66 HA -0.07 0.00 0.34 -0.75 4.58 4.10 1fp3A1 CYS 66 HB2 -0.15 0.06 0.10 -0.04 2.97 2.95 1fp3A1 CYS 66 HB3 -0.11 0.05 -0.11 -0.04 2.97 2.75 1fp3A1 ARG 67 H -0.40 0.79 -0.06 -0.55 8.46 8.24 1fp3A1 ARG 67 HA -0.31 0.00 0.30 -0.75 4.34 3.58 1fp3A1 ARG 67 HB2 -1.36 0.14 0.08 -0.04 1.90 0.71 1fp3A1 ARG 67 HB3 -0.67 0.05 0.10 -0.04 1.80 1.25 1fp3A1 ARG 67 HG2 -0.73 -0.06 -0.08 -0.04 1.67 0.76 1fp3A1 ARG 67 HG3 -0.33 -0.03 -0.12 -0.04 1.67 1.14 1fp3A1 ARG 67 HD2 -0.33 0.02 -0.01 -0.04 3.22 2.85 1fp3A1 ARG 67 HD3 -0.98 -0.00 -0.04 -0.04 3.22 2.16 1fp3A1 LEU 68 H -0.21 0.62 -0.19 -0.55 8.37 8.05 1fp3A1 LEU 68 HA -0.10 -0.07 0.41 -0.75 4.35 3.83 1fp3A1 LEU 68 HB2 -0.25 0.21 0.18 -0.04 1.64 1.74 1fp3A1 LEU 68 HB3 -0.24 -0.00 -0.05 -0.04 1.64 1.30 1fp3A1 LEU 68 HG -0.98 -0.06 0.00 -0.04 1.64 0.56 1fp3A1 LEU 68 HD13 -0.21 -0.01 -0.03 -0.04 0.93 0.64 1fp3A1 LEU 68 HD23 -0.54 0.01 -0.05 -0.04 0.89 0.26 1fp3A1 TYR 69 H 0.08 0.56 -0.13 -0.55 8.29 8.25 1fp3A1 TYR 69 HA 0.05 0.08 0.09 -0.75 4.56 4.03 1fp3A1 TYR 69 HB2 -0.06 -0.02 0.14 -0.04 3.06 3.08 1fp3A1 TYR 69 HB3 -0.08 0.12 0.17 -0.04 2.98 3.15 1fp3A1 TYR 69 HD2 -0.12 0.06 -0.05 -0.04 7.15 7.01 1fp3A1 TYR 69 HE2 -0.23 -0.01 -0.18 -0.04 6.85 6.39 1fp3A1 ARG 70 H 0.07 0.46 -0.32 -0.55 8.46 8.12 1fp3A1 ARG 70 HA 0.08 0.17 0.87 -0.75 4.34 4.71 1fp3A1 ARG 70 HB2 0.04 -0.04 0.05 -0.04 1.90 1.91 1fp3A1 ARG 70 HB3 0.13 -0.03 -0.07 -0.04 1.80 1.80 1fp3A1 ARG 70 HG2 -0.03 0.19 -0.03 -0.04 1.67 1.77 1fp3A1 ARG 70 HG3 -0.02 -0.00 -0.21 -0.04 1.67 1.39 1fp3A1 ARG 70 HD2 -0.03 -0.01 -0.09 -0.04 3.22 3.05 1fp3A1 ARG 70 HD3 -0.04 -0.02 -0.17 -0.04 3.22 2.96 1fp3A1 LYS 71 H 0.01 0.30 -0.12 -0.55 8.42 8.05 1fp3A1 LYS 71 HA 0.00 0.18 0.95 -0.75 4.32 4.70 1fp3A1 LYS 71 HB2 -0.03 0.07 0.08 -0.04 1.87 1.95 1fp3A1 LYS 71 HB3 -0.00 -0.09 -0.02 -0.04 1.79 1.64 1fp3A1 LYS 71 HG2 -0.02 0.03 -0.15 -0.04 1.46 1.29 1fp3A1 LYS 71 HG3 -0.06 0.11 -0.03 -0.04 1.46 1.44 1fp3A1 LYS 71 HD2 -0.03 -0.04 -0.07 -0.04 1.69 1.50 1fp3A1 LYS 71 HD3 -0.00 -0.04 -0.04 -0.04 1.68 1.55 1fp3A1 LYS 71 HE2 0.00 0.03 -0.04 -0.04 2.99 2.94 1fp3A1 LYS 71 HE3 0.01 -0.00 -0.05 -0.04 2.99 2.90 1fp3A1 LEU 72 H 0.08 0.69 0.11 -0.55 8.37 8.70 1fp3A1 LEU 72 HA 0.06 0.15 1.00 -0.75 4.35 4.81 1fp3A1 LEU 72 HB2 0.36 0.09 0.18 -0.04 1.64 2.23 1fp3A1 LEU 72 HB3 0.27 -0.13 0.04 -0.04 1.64 1.78 1fp3A1 LEU 72 HG 0.13 0.01 -0.01 -0.04 1.64 1.72 1fp3A1 LEU 72 HD13 0.05 0.10 -0.40 -0.04 0.93 0.63 1fp3A1 LEU 72 HD23 0.20 -0.00 -0.02 -0.04 0.89 1.02 1fp3A1 GLU 73 H -0.01 0.25 0.03 -0.55 8.60 8.33 1fp3A1 GLU 73 HA -0.06 0.16 0.31 -0.75 4.29 3.94 1fp3A1 GLU 73 HB2 -0.07 0.07 0.09 -0.04 2.09 2.14 1fp3A1 GLU 73 HB3 -0.05 -0.05 0.09 -0.04 1.99 1.94 1fp3A1 GLU 73 HG2 -0.07 -0.01 -0.04 -0.04 2.34 2.18 1fp3A1 GLU 73 HG3 -0.08 0.00 -0.25 -0.04 2.34 1.97 1fp3A1 ARG 74 H -0.08 0.06 -0.39 -0.55 8.46 7.50 1fp3A1 ARG 74 HA -0.16 0.08 0.40 -0.75 4.34 3.91 1fp3A1 ARG 74 HB2 -0.18 -0.00 0.05 -0.04 1.90 1.72 1fp3A1 ARG 74 HB3 -0.25 -0.04 0.01 -0.04 1.80 1.49 1fp3A1 ARG 74 HG2 -1.05 0.05 -0.34 -0.04 1.67 0.29 1fp3A1 ARG 74 HG3 -0.36 -0.01 0.01 -0.04 1.67 1.27 1fp3A1 ARG 74 HD2 -0.69 -0.00 -0.09 -0.04 3.22 2.39 1fp3A1 ARG 74 HD3 -0.22 -0.00 -0.04 -0.04 3.22 2.92 1fp3A1 PHE 75 H 0.01 0.85 -0.29 -0.55 8.34 8.36 1fp3A1 PHE 75 HA -0.01 0.11 0.81 -0.75 4.62 4.78 1fp3A1 PHE 75 HB2 -0.02 0.31 -0.08 -0.04 3.15 3.32 1fp3A1 PHE 75 HB3 -0.02 -0.10 -0.04 -0.04 3.06 2.86 1fp3A1 PHE 75 HD2 -0.02 0.00 -0.02 -0.04 7.28 7.20 1fp3A1 PHE 75 HE2 0.01 -0.01 -0.08 -0.04 7.38 7.27 1fp3A1 PHE 75 HZ 0.04 -0.03 -0.27 -0.04 7.32 7.02 1fp3A1 HIS 76 H 0.02 0.40 -0.33 -0.55 8.41 7.95 1fp3A1 HIS 76 HA -0.71 0.13 0.65 -0.75 4.63 3.95 1fp3A1 HIS 76 HB2 -0.28 0.01 0.12 -0.04 3.26 3.07 1fp3A1 HIS 76 HB3 -0.21 0.00 0.27 -0.04 3.20 3.22 1fp3A1 HIS 76 HD2 -0.17 -0.08 0.06 -0.04 6.97 6.73 1fp3A1 HIS 76 HE1 -0.15 -0.01 0.00 -0.04 7.75 7.55 1fp3A1 ARG 77 H 0.13 0.50 -0.15 -0.55 8.46 8.40 1fp3A1 ARG 77 HA 0.08 0.26 0.91 -0.75 4.34 4.85 1fp3A1 ARG 77 HB2 0.10 -0.20 -0.01 -0.04 1.90 1.74 1fp3A1 ARG 77 HB3 0.06 0.01 0.10 -0.04 1.80 1.93 1fp3A1 ARG 77 HG2 0.02 0.02 -0.60 -0.04 1.67 1.08 1fp3A1 ARG 77 HG3 0.07 0.02 -0.11 -0.04 1.67 1.61 1fp3A1 ARG 77 HD2 0.01 -0.03 -0.03 -0.04 3.22 3.13 1fp3A1 ARG 77 HD3 -0.05 0.17 -0.01 -0.04 3.22 3.30 1fp3A1 PRO 78 HA 0.09 0.11 0.42 -0.51 4.44 4.55 1fp3A1 PRO 78 HB2 0.05 0.03 0.02 -0.04 2.28 2.34 1fp3A1 PRO 78 HB3 0.07 0.09 0.11 -0.04 2.02 2.24 1fp3A1 PRO 78 HG2 0.06 0.01 0.09 -0.04 2.03 2.15 1fp3A1 PRO 78 HG3 0.06 0.09 0.10 -0.04 2.03 2.23 1fp3A1 PRO 78 HD2 0.07 0.10 0.23 -0.04 3.68 4.04 1fp3A1 PRO 78 HD3 0.08 0.24 0.23 -0.04 3.65 4.16 1fp3A1 GLU 79 H 0.09 0.18 -0.14 -0.55 8.60 8.18 1fp3A1 GLU 79 HA 0.10 0.06 0.38 -0.75 4.29 4.08 1fp3A1 GLU 79 HB2 0.14 0.08 -0.09 -0.04 2.09 2.18 1fp3A1 GLU 79 HB3 0.11 0.05 0.08 -0.04 1.99 2.19 1fp3A1 GLU 79 HG2 0.09 -0.08 -0.01 -0.04 2.34 2.29 1fp3A1 GLU 79 HG3 0.07 0.09 0.01 -0.04 2.34 2.47 1fp3A1 LEU 80 H 0.12 0.21 -0.35 -0.55 8.37 7.80 1fp3A1 LEU 80 HA 0.12 0.07 0.49 -0.75 4.35 4.28 1fp3A1 LEU 80 HB2 0.18 0.16 0.21 -0.04 1.64 2.15 1fp3A1 LEU 80 HB3 0.06 0.06 -0.01 -0.04 1.64 1.71 1fp3A1 LEU 80 HG -0.40 -0.05 0.04 -0.04 1.64 1.19 1fp3A1 LEU 80 HD13 0.10 -0.02 -0.00 -0.04 0.93 0.97 1fp3A1 LEU 80 HD23 -0.07 0.07 0.10 -0.04 0.89 0.94 1fp3A1 LEU 81 H -0.04 0.34 -0.02 -0.55 8.37 8.09 1fp3A1 LEU 81 HA -0.25 0.04 0.38 -0.75 4.35 3.77 1fp3A1 LEU 81 HB2 -0.79 0.09 0.11 -0.04 1.64 1.01 1fp3A1 LEU 81 HB3 -0.19 0.02 0.09 -0.04 1.64 1.51 1fp3A1 LEU 81 HG -0.22 -0.02 -0.04 -0.04 1.64 1.32 1fp3A1 LEU 81 HD13 -0.26 -0.04 0.06 -0.04 0.93 0.65 1fp3A1 LEU 81 HD23 -0.80 0.05 0.01 -0.04 0.89 0.11 1fp3A1 ASP 82 H 0.00 0.80 -0.10 -0.55 8.40 8.56 1fp3A1 ASP 82 HA -0.02 0.01 0.40 -0.75 4.63 4.26 1fp3A1 ASP 82 HB2 0.04 0.10 0.15 -0.04 2.71 2.96 1fp3A1 ASP 82 HB3 0.01 -0.02 -0.04 -0.04 2.70 2.61 1fp3A1 ALA 83 H 0.08 0.52 -0.16 -0.55 8.40 8.29 1fp3A1 ALA 83 HA -0.15 -0.00 0.40 -0.75 4.34 3.83 1fp3A1 ALA 83 HB3 0.05 0.03 0.10 -0.04 1.41 1.55 1fp3A1 ALA 84 H 0.12 0.68 -0.15 -0.55 8.40 8.50 1fp3A1 ALA 84 HA 0.07 -0.03 0.44 -0.75 4.34 4.07 1fp3A1 ALA 84 HB3 0.02 0.02 0.09 -0.04 1.41 1.50 1fp3A1 LYS 85 H -0.05 0.79 -0.08 -0.55 8.42 8.53 1fp3A1 LYS 85 HA -0.06 -0.02 0.48 -0.75 4.32 3.97 1fp3A1 LYS 85 HB2 -0.03 0.18 0.23 -0.04 1.87 2.20 1fp3A1 LYS 85 HB3 0.01 -0.05 0.01 -0.04 1.79 1.72 1fp3A1 LYS 85 HG2 0.05 -0.07 0.03 -0.04 1.46 1.42 1fp3A1 LYS 85 HG3 -0.08 -0.02 0.03 -0.04 1.46 1.34 1fp3A1 LYS 85 HD2 -0.06 0.02 -0.03 -0.04 1.69 1.57 1fp3A1 LYS 85 HD3 -0.05 0.04 -0.08 -0.04 1.68 1.56 1fp3A1 LYS 85 HE2 0.03 -0.02 -0.01 -0.04 2.99 2.95 1fp3A1 LYS 85 HE3 0.05 -0.03 -0.01 -0.04 2.99 2.97 1fp3A1 ALA 86 H -0.06 0.77 -0.01 -0.55 8.40 8.55 1fp3A1 ALA 86 HA -0.03 -0.00 0.37 -0.75 4.34 3.92 1fp3A1 ALA 86 HB3 -0.14 0.03 0.13 -0.04 1.41 1.39 1fp3A1 GLY 87 H -0.14 0.42 -0.60 -0.55 8.43 7.57 1fp3A1 GLY 87 HA2 -0.31 -0.10 0.53 -0.51 4.01 3.62 1fp3A1 GLY 87 HA3 -0.16 0.08 0.32 -0.51 4.01 3.73 1fp3A1 GLY 88 H -0.03 0.61 0.06 -0.55 8.43 8.52 1fp3A1 GLY 88 HA2 0.00 -0.03 0.38 -0.51 4.01 3.85 1fp3A1 GLY 88 HA3 -0.04 0.06 0.32 -0.51 4.01 3.84 1fp3A1 GLU 89 H 0.05 0.59 -0.22 -0.55 8.60 8.47 1fp3A1 GLU 89 HA 0.09 0.00 0.38 -0.75 4.29 4.02 1fp3A1 GLU 89 HB2 0.07 0.14 0.14 -0.04 2.09 2.40 1fp3A1 GLU 89 HB3 0.06 -0.00 -0.01 -0.04 1.99 2.00 1fp3A1 GLU 89 HG2 0.07 0.18 -0.04 -0.04 2.34 2.51 1fp3A1 GLU 89 HG3 0.04 -0.02 -0.03 -0.04 2.34 2.30 1fp3A1 PHE 90 H 0.19 0.44 -0.12 -0.55 8.34 8.30 1fp3A1 PHE 90 HA 0.20 0.06 0.34 -0.75 4.62 4.46 1fp3A1 PHE 90 HB2 -0.06 0.06 0.09 -0.04 3.15 3.19 1fp3A1 PHE 90 HB3 -0.04 0.06 0.10 -0.04 3.06 3.14 1fp3A1 PHE 90 HD2 -0.00 0.09 -0.11 -0.04 7.28 7.21 1fp3A1 PHE 90 HE2 -0.16 -0.03 -0.14 -0.04 7.38 7.02 1fp3A1 PHE 90 HZ -0.25 -0.04 -0.19 -0.04 7.32 6.81 1fp3A1 LEU 91 H 0.22 0.48 -0.27 -0.55 8.37 8.25 1fp3A1 LEU 91 HA 0.23 -0.07 0.40 -0.75 4.35 4.16 1fp3A1 LEU 91 HB2 0.11 0.16 0.15 -0.04 1.64 2.01 1fp3A1 LEU 91 HB3 0.30 -0.05 -0.03 -0.04 1.64 1.82 1fp3A1 LEU 91 HG 0.18 0.12 -0.05 -0.04 1.64 1.84 1fp3A1 LEU 91 HD13 0.07 -0.03 -0.05 -0.04 0.93 0.87 1fp3A1 LEU 91 HD23 0.29 -0.04 -0.02 -0.04 0.89 1.09 1fp3A1 LEU 92 H 0.12 0.66 -0.09 -0.55 8.37 8.51 1fp3A1 LEU 92 HA 0.21 -0.06 0.40 -0.75 4.35 4.15 1fp3A1 LEU 92 HB2 0.07 0.14 0.28 -0.04 1.64 2.08 1fp3A1 LEU 92 HB3 0.05 -0.07 0.01 -0.04 1.64 1.59 1fp3A1 LEU 92 HG 0.14 0.19 -0.01 -0.04 1.64 1.93 1fp3A1 LEU 92 HD13 0.10 -0.04 -0.06 -0.04 0.93 0.89 1fp3A1 LEU 92 HD23 0.15 -0.03 0.00 -0.04 0.89 0.97 1fp3A1 ARG 93 H -0.09 0.57 -0.13 -0.55 8.46 8.26 1fp3A1 ARG 93 HA -0.19 0.07 0.60 -0.75 4.34 4.07 1fp3A1 ARG 93 HB2 -1.22 0.05 0.08 -0.04 1.90 0.76 1fp3A1 ARG 93 HB3 -0.45 -0.07 0.05 -0.04 1.80 1.30 1fp3A1 ARG 93 HG2 -0.10 -0.08 0.01 -0.04 1.67 1.46 1fp3A1 ARG 93 HG3 -0.11 0.05 -0.14 -0.04 1.67 1.43 1fp3A1 ARG 93 HD2 -0.05 0.01 -0.05 -0.04 3.22 3.09 1fp3A1 ARG 93 HD3 -0.14 -0.02 -0.02 -0.04 3.22 3.01 1fp3A1 HIS 94 H -0.30 0.59 0.14 -0.55 8.41 8.29 1fp3A1 HIS 94 HA -0.12 0.31 1.09 -0.75 4.63 5.15 1fp3A1 HIS 94 HB2 -0.51 -0.12 0.00 -0.04 3.26 2.59 1fp3A1 HIS 94 HB3 -0.23 0.34 0.24 -0.04 3.20 3.51 1fp3A1 HIS 94 HD2 -0.15 0.00 -0.00 -0.04 6.97 6.78 1fp3A1 HIS 94 HE1 -0.22 -0.02 0.02 -0.04 7.75 7.48 1fp3A1 ALA 95 H 0.05 0.42 0.08 -0.55 8.40 8.40 1fp3A1 ALA 95 HA 0.09 -0.12 0.36 -0.75 4.34 3.91 1fp3A1 ALA 95 HB3 0.12 -0.04 0.13 -0.04 1.41 1.58 1fp3A1 ARG 96 H -0.05 0.20 -0.21 -0.55 8.46 7.85 1fp3A1 ARG 96 HA -0.03 0.00 0.28 -0.75 4.34 3.84 1fp3A1 ARG 96 HB2 -0.05 0.07 0.00 -0.04 1.90 1.88 1fp3A1 ARG 96 HB3 -0.03 -0.09 -0.24 -0.04 1.80 1.40 1fp3A1 ARG 96 HG2 -0.03 0.44 -0.03 -0.04 1.67 2.01 1fp3A1 ARG 96 HG3 -0.12 -0.05 -0.18 -0.04 1.67 1.28 1fp3A1 ARG 96 HD2 -0.05 0.15 -0.18 -0.04 3.22 3.11 1fp3A1 ARG 96 HD3 -0.12 -0.13 -0.06 -0.04 3.22 2.86 1fp3A1 VAL 97 H 0.02 0.52 0.25 -0.55 8.24 8.48 1fp3A1 VAL 97 HA 0.02 0.13 0.51 -0.75 4.13 4.04 1fp3A1 VAL 97 HB 0.03 -0.02 0.08 -0.04 2.12 2.16 1fp3A1 VAL 97 HG13 0.02 -0.02 -0.13 -0.04 0.97 0.79 1fp3A1 VAL 97 HG23 0.04 -0.02 -0.12 -0.04 0.95 0.80 1fp3A1 ALA 98 H 0.02 0.13 -0.11 -0.55 8.40 7.89 1fp3A1 ALA 98 HA 0.00 0.25 0.84 -0.75 4.34 4.68 1fp3A1 ALA 98 HB3 0.02 -0.03 0.08 -0.04 1.41 1.43 1fp3A1 PRO 99 HA -0.01 0.19 -0.41 -0.51 4.44 3.69 1fp3A1 PRO 99 HB2 -0.03 -0.01 0.04 -0.04 2.28 2.23 1fp3A1 PRO 99 HB3 -0.03 0.07 -0.03 -0.04 2.02 1.99 1fp3A1 PRO 99 HG2 -0.03 0.01 0.00 -0.04 2.03 1.97 1fp3A1 PRO 99 HG3 -0.02 0.29 -0.16 -0.04 2.03 2.09 1fp3A1 PRO 99 HD2 -0.01 0.05 -0.05 -0.04 3.68 3.62 1fp3A1 PRO 99 HD3 -0.01 0.14 0.06 -0.04 3.65 3.81 1fp3A1 PRO 100 HA -0.02 0.11 0.56 -0.51 4.44 4.58 1fp3A1 PRO 100 HB2 -0.01 -0.05 0.13 -0.04 2.28 2.31 1fp3A1 PRO 100 HB3 -0.01 -0.02 0.10 -0.04 2.02 2.05 1fp3A1 PRO 100 HG2 -0.01 -0.02 0.06 -0.04 2.03 2.02 1fp3A1 PRO 100 HG3 -0.01 0.01 0.06 -0.04 2.03 2.05 1fp3A1 PRO 100 HD2 -0.00 0.30 -0.35 -0.04 3.68 3.59 1fp3A1 PRO 100 HD3 -0.01 0.06 -0.13 -0.04 3.65 3.52 1fp3A1 GLU 101 H 0.01 0.38 0.24 -0.55 8.60 8.68 1fp3A1 GLU 101 HA 0.02 -0.04 0.38 -0.75 4.29 3.89 1fp3A1 GLU 101 HB2 0.05 0.03 0.10 -0.04 2.09 2.23 1fp3A1 GLU 101 HB3 0.10 -0.11 0.09 -0.04 1.99 2.02 1fp3A1 GLU 101 HG2 0.02 -0.03 0.16 -0.04 2.34 2.44 1fp3A1 GLU 101 HG3 0.04 0.03 0.13 -0.04 2.34 2.49 1fp3A1 LYS 102 H 0.02 0.07 0.15 -0.55 8.42 8.10 1fp3A1 LYS 102 HA -0.04 0.24 0.47 -0.75 4.32 4.24 1fp3A1 LYS 102 HB2 -0.19 -0.05 0.03 -0.04 1.87 1.63 1fp3A1 LYS 102 HB3 -0.11 -0.03 0.08 -0.04 1.79 1.69 1fp3A1 LYS 102 HG2 -0.08 0.19 -0.04 -0.04 1.46 1.49 1fp3A1 LYS 102 HG3 -0.18 -0.04 0.04 -0.04 1.46 1.24 1fp3A1 LYS 102 HD2 -0.19 -0.00 -0.08 -0.04 1.69 1.38 1fp3A1 LYS 102 HD3 -0.10 -0.02 -0.06 -0.04 1.68 1.46 1fp3A1 LYS 102 HE2 -0.09 0.06 -0.05 -0.04 2.99 2.87 1fp3A1 LYS 102 HE3 -0.10 -0.03 -0.10 -0.04 2.99 2.72 1fp3A1 LYS 103 H 0.27 0.01 -0.20 -0.55 8.42 7.95 1fp3A1 LYS 103 HA 0.38 -0.02 0.39 -0.75 4.32 4.31 1fp3A1 LYS 103 HB2 0.20 0.06 0.13 -0.04 1.87 2.22 1fp3A1 LYS 103 HB3 0.10 -0.07 0.08 -0.04 1.79 1.86 1fp3A1 LYS 103 HG2 -0.02 -0.03 -0.05 -0.04 1.46 1.32 1fp3A1 LYS 103 HG3 0.02 0.12 -0.22 -0.04 1.46 1.34 1fp3A1 LYS 103 HD2 -0.31 -0.10 0.11 -0.04 1.69 1.35 1fp3A1 LYS 103 HD3 -0.40 0.19 0.13 -0.04 1.68 1.56 1fp3A1 LYS 103 HE2 -0.30 -0.02 0.15 -0.04 2.99 2.78 1fp3A1 LYS 103 HE3 -0.10 -0.09 -0.04 -0.04 2.99 2.72 1fp3A1 CYS 104 H 0.12 0.00 0.23 -0.55 8.50 8.30 1fp3A1 CYS 104 HA 0.03 0.24 0.76 -0.75 4.58 4.85 1fp3A1 CYS 104 HB2 0.11 -0.25 -0.05 -0.04 2.97 2.74 1fp3A1 CYS 104 HB3 0.07 0.10 -0.02 -0.04 2.97 3.09 1fp3A1 ALA 105 H 0.07 0.66 0.27 -0.55 8.40 8.86 1fp3A1 ALA 105 HA 0.11 0.01 0.70 -0.75 4.34 4.41 1fp3A1 ALA 105 HB3 0.06 0.04 0.09 -0.04 1.41 1.56 1fp3A1 PHE 106 H 0.23 0.61 0.53 -0.55 8.34 9.17 1fp3A1 PHE 106 HA 0.15 0.02 0.65 -0.75 4.62 4.69 1fp3A1 PHE 106 HB2 0.08 -0.12 0.06 -0.04 3.15 3.13 1fp3A1 PHE 106 HB3 0.03 0.05 -0.09 -0.04 3.06 3.01 1fp3A1 PHE 106 HD2 -0.01 -0.01 -0.07 -0.04 7.28 7.15 1fp3A1 PHE 106 HE2 -0.88 -0.00 -0.04 -0.04 7.38 6.41 1fp3A1 PHE 106 HZ -0.73 0.04 -0.04 -0.04 7.32 6.55 1fp3A1 VAL 107 H 0.07 0.38 0.29 -0.55 8.24 8.44 1fp3A1 VAL 107 HA -0.28 0.14 0.98 -0.75 4.13 4.21 1fp3A1 VAL 107 HB -0.52 0.01 -0.06 -0.04 2.12 1.51 1fp3A1 VAL 107 HG13 0.20 -0.05 -0.04 -0.04 0.97 1.04 1fp3A1 VAL 107 HG23 -0.50 -0.00 -0.25 -0.04 0.95 0.15 1fp3A1 LEU 108 H -0.16 0.78 0.33 -0.55 8.37 8.77 1fp3A1 LEU 108 HA -0.04 0.16 0.96 -0.75 4.35 4.67 1fp3A1 LEU 108 HB2 0.06 0.07 -0.07 -0.04 1.64 1.66 1fp3A1 LEU 108 HB3 -0.02 -0.04 -0.34 -0.04 1.64 1.20 1fp3A1 LEU 108 HG 0.02 -0.25 -0.43 -0.04 1.64 0.94 1fp3A1 LEU 108 HD13 0.10 0.01 -0.22 -0.04 0.93 0.78 1fp3A1 LEU 108 HD23 0.02 0.07 -0.25 -0.04 0.89 0.69 1fp3A1 THR 109 H -0.04 0.61 0.22 -0.55 8.28 8.53 1fp3A1 THR 109 HA -0.07 0.04 0.48 -0.75 4.39 4.08 1fp3A1 THR 109 HB -0.05 -0.04 0.14 -0.04 4.32 4.33 1fp3A1 THR 109 HG23 -0.03 0.09 0.04 -0.04 1.22 1.28 1fp3A1 ARG 110 H -0.06 0.09 0.12 -0.55 8.46 8.06 1fp3A1 ARG 110 HA -0.06 0.19 0.36 -0.75 4.34 4.07 1fp3A1 ARG 110 HB2 -0.01 -0.04 0.16 -0.04 1.90 1.96 1fp3A1 ARG 110 HB3 -0.18 -0.05 0.04 -0.04 1.80 1.56 1fp3A1 ARG 110 HG2 -0.07 0.07 0.06 -0.04 1.67 1.69 1fp3A1 ARG 110 HG3 0.33 -0.02 0.06 -0.04 1.67 2.00 1fp3A1 ARG 110 HD2 -0.42 0.00 -0.16 -0.04 3.22 2.59 1fp3A1 ARG 110 HD3 0.05 -0.04 -0.09 -0.04 3.22 3.10 1fp3A1 ASP 111 H -0.14 -0.04 -0.27 -0.55 8.40 7.40 1fp3A1 ASP 111 HA -0.10 0.21 0.52 -0.75 4.63 4.52 1fp3A1 ASP 111 HB2 0.00 0.08 0.09 -0.04 2.71 2.84 1fp3A1 ASP 111 HB3 -0.23 -0.01 0.03 -0.04 2.70 2.45 1fp3A1 GLY 112 H -0.03 0.47 -0.54 -0.55 8.43 7.79 1fp3A1 GLY 112 HA2 -0.25 0.01 0.16 -0.51 4.01 3.42 1fp3A1 GLY 112 HA3 -1.22 0.21 0.64 -0.51 4.01 3.13 1fp3A1 ARG 113 H -0.06 -0.11 -0.03 -0.55 8.46 7.70 1fp3A1 ARG 113 HA 0.00 0.34 0.77 -0.75 4.34 4.71 1fp3A1 ARG 113 HB2 -0.02 -0.19 0.09 -0.04 1.90 1.73 1fp3A1 ARG 113 HB3 -0.01 0.07 -0.03 -0.04 1.80 1.79 1fp3A1 ARG 113 HG2 0.01 0.10 0.03 -0.04 1.67 1.76 1fp3A1 ARG 113 HG3 0.01 0.06 -0.12 -0.04 1.67 1.57 1fp3A1 ARG 113 HD2 0.00 0.01 -0.01 -0.04 3.22 3.17 1fp3A1 ARG 113 HD3 0.01 0.03 -0.03 -0.04 3.22 3.19 1fp3A1 PRO 114 HA 0.01 -0.01 0.47 -0.51 4.44 4.40 1fp3A1 PRO 114 HB2 0.02 -0.05 -0.04 -0.04 2.28 2.17 1fp3A1 PRO 114 HB3 0.02 0.09 0.10 -0.04 2.02 2.19 1fp3A1 PRO 114 HG2 0.01 -0.04 0.14 -0.04 2.03 2.10 1fp3A1 PRO 114 HG3 0.02 0.21 0.17 -0.04 2.03 2.38 1fp3A1 PRO 114 HD2 0.01 0.02 0.29 -0.04 3.68 3.96 1fp3A1 PRO 114 HD3 0.02 0.42 0.29 -0.04 3.65 4.34 1fp3A1 VAL 115 H 0.00 0.46 0.48 -0.55 8.24 8.63 1fp3A1 VAL 115 HA 0.01 0.21 0.95 -0.75 4.13 4.54 1fp3A1 VAL 115 HB -0.02 -0.01 0.02 -0.04 2.12 2.06 1fp3A1 VAL 115 HG13 0.01 -0.02 -0.13 -0.04 0.97 0.79 1fp3A1 VAL 115 HG23 -0.03 0.02 -0.11 -0.04 0.95 0.79 1fp3A1 LYS 116 H 0.05 0.30 0.38 -0.55 8.42 8.60 1fp3A1 LYS 116 HA 0.06 0.26 0.91 -0.75 4.32 4.79 1fp3A1 LYS 116 HB2 0.11 0.02 -0.13 -0.04 1.87 1.83 1fp3A1 LYS 116 HB3 0.26 -0.14 0.02 -0.04 1.79 1.89 1fp3A1 LYS 116 HG2 0.05 -0.01 -0.07 -0.04 1.46 1.39 1fp3A1 LYS 116 HG3 0.05 0.10 0.11 -0.04 1.46 1.68 1fp3A1 LYS 116 HD2 0.15 -0.06 -0.06 -0.04 1.69 1.67 1fp3A1 LYS 116 HD3 0.01 0.00 -0.03 -0.04 1.68 1.62 1fp3A1 LYS 116 HE2 0.06 0.07 -0.05 -0.04 2.99 3.03 1fp3A1 LYS 116 HE3 0.08 -0.03 -0.04 -0.04 2.99 2.96 1fp3A1 VAL 117 H 0.06 0.32 0.19 -0.55 8.24 8.26 1fp3A1 VAL 117 HA 0.13 -0.03 1.06 -0.75 4.13 4.54 1fp3A1 VAL 117 HB 0.03 0.01 0.08 -0.04 2.12 2.20 1fp3A1 VAL 117 HG13 0.03 0.06 -0.16 -0.04 0.97 0.86 1fp3A1 VAL 117 HG23 0.04 0.01 -0.18 -0.04 0.95 0.78 1fp3A1 GLN 118 H 0.17 0.19 0.17 -0.55 8.47 8.46 1fp3A1 GLN 118 HA -0.01 0.19 0.95 -0.75 4.36 4.74 1fp3A1 GLN 118 HB2 -0.18 0.01 -0.03 -0.04 2.15 1.91 1fp3A1 GLN 118 HB3 0.24 -0.05 0.12 -0.04 2.02 2.29 1fp3A1 GLN 118 HG2 0.15 -0.02 -0.41 -0.04 2.40 2.08 1fp3A1 GLN 118 HG3 0.02 0.07 -0.07 -0.04 2.39 2.36 1fp3A1 GLN 118 HE21 -0.22 -0.00 -0.04 -0.04 6.97 6.66 1fp3A1 GLN 118 HE22 -0.53 0.04 -0.05 -0.04 7.69 7.11 1fp3A1 ARG 119 H -0.02 0.15 0.11 -0.55 8.46 8.16 1fp3A1 ARG 119 HA -0.12 0.22 0.56 -0.75 4.34 4.24 1fp3A1 ARG 119 HB2 -0.08 -0.01 0.13 -0.04 1.90 1.91 1fp3A1 ARG 119 HB3 -0.09 0.41 0.13 -0.04 1.80 2.21 1fp3A1 ARG 119 HG2 -0.02 -0.13 0.15 -0.04 1.67 1.63 1fp3A1 ARG 119 HG3 -0.03 -0.00 0.05 -0.04 1.67 1.65 1fp3A1 ARG 119 HD2 -0.03 -0.03 0.07 -0.04 3.22 3.19 1fp3A1 ARG 119 HD3 -0.04 0.13 0.06 -0.04 3.22 3.33 1fp3A1 SER 120 H -0.06 0.76 0.25 -0.55 8.46 8.86 1fp3A1 SER 120 HA -0.18 0.22 0.65 -0.75 4.49 4.42 1fp3A1 SER 120 HB2 -0.38 -0.13 0.13 -0.04 3.95 3.54 1fp3A1 SER 120 HB3 0.12 0.12 -0.22 -0.04 3.93 3.90 1fp3A1 ILE 121 H -0.63 0.16 0.13 -0.55 8.25 7.36 1fp3A1 ILE 121 HA -0.07 0.28 0.89 -0.75 4.18 4.53 1fp3A1 ILE 121 HB -0.01 0.00 0.12 -0.04 1.89 1.96 1fp3A1 ILE 121 HG12 -0.68 -0.09 0.01 -0.04 1.49 0.69 1fp3A1 ILE 121 HG13 -0.34 -0.04 -0.30 -0.04 1.21 0.49 1fp3A1 ILE 121 HG23 -0.02 0.05 -0.11 -0.04 0.93 0.80 1fp3A1 ILE 121 HD13 -0.11 0.04 -0.04 -0.04 0.88 0.72 1fp3A1 PHE 122 H -0.31 0.09 -0.07 -0.55 8.34 7.50 1fp3A1 PHE 122 HA -0.23 0.13 0.46 -0.75 4.62 4.23 1fp3A1 PHE 122 HB2 0.57 0.01 0.04 -0.04 3.15 3.73 1fp3A1 PHE 122 HB3 -0.96 0.04 0.00 -0.04 3.06 2.11 1fp3A1 PHE 122 HD2 0.13 0.03 -0.03 -0.04 7.28 7.38 1fp3A1 PHE 122 HE2 0.08 0.11 -0.11 -0.04 7.38 7.41 1fp3A1 PHE 122 HZ 0.09 -0.03 -0.11 -0.04 7.32 7.23 1fp3A1 SER 123 H 0.44 0.17 -0.18 -0.55 8.46 8.34 1fp3A1 SER 123 HA 0.49 0.04 0.36 -0.75 4.49 4.63 1fp3A1 SER 123 HB2 0.36 0.01 -0.02 -0.04 3.95 4.25 1fp3A1 SER 123 HB3 0.28 0.13 -0.14 -0.04 3.93 4.17 1fp3A1 GLU 124 H 0.16 0.06 -0.29 -0.55 8.60 7.98 1fp3A1 GLU 124 HA 0.12 0.12 0.38 -0.75 4.29 4.16 1fp3A1 GLU 124 HB2 0.15 0.09 0.10 -0.04 2.09 2.39 1fp3A1 GLU 124 HB3 0.15 0.05 -0.00 -0.04 1.99 2.14 1fp3A1 GLU 124 HG2 0.58 0.07 0.01 -0.04 2.34 2.95 1fp3A1 GLU 124 HG3 0.15 0.12 0.06 -0.04 2.34 2.63 1fp3A1 CYS 125 H -0.05 0.49 -0.14 -0.55 8.50 8.25 1fp3A1 CYS 125 HA -0.13 0.06 0.36 -0.75 4.58 4.12 1fp3A1 CYS 125 HB2 -0.52 0.03 0.13 -0.04 2.97 2.56 1fp3A1 CYS 125 HB3 -0.53 0.01 -0.06 -0.04 2.97 2.35 1fp3A1 PHE 126 H -0.22 0.41 -0.15 -0.55 8.34 7.83 1fp3A1 PHE 126 HA -0.18 0.03 0.39 -0.75 4.62 4.11 1fp3A1 PHE 126 HB2 -0.10 0.13 0.15 -0.04 3.15 3.29 1fp3A1 PHE 126 HB3 -0.16 -0.09 0.07 -0.04 3.06 2.84 1fp3A1 PHE 126 HD2 -0.59 0.13 0.02 -0.04 7.28 6.80 1fp3A1 PHE 126 HE2 -0.89 -0.03 -0.04 -0.04 7.38 6.37 1fp3A1 PHE 126 HZ -0.43 -0.02 -0.05 -0.04 7.32 6.78 1fp3A1 TYR 127 H 0.23 0.28 -0.56 -0.55 8.29 7.69 1fp3A1 TYR 127 HA 0.10 0.01 0.46 -0.75 4.56 4.38 1fp3A1 TYR 127 HB2 0.11 0.05 0.09 -0.04 3.06 3.27 1fp3A1 TYR 127 HB3 0.07 0.18 0.23 -0.04 2.98 3.42 1fp3A1 TYR 127 HD2 0.07 -0.02 -0.11 -0.04 7.15 7.06 1fp3A1 TYR 127 HE2 0.05 0.10 -0.20 -0.04 6.85 6.76 1fp3A1 THR 128 H 0.16 0.61 -0.01 -0.55 8.28 8.50 1fp3A1 THR 128 HA 0.05 0.01 0.40 -0.75 4.39 4.09 1fp3A1 THR 128 HB 0.06 0.08 0.19 -0.04 4.32 4.61 1fp3A1 THR 128 HG23 0.06 0.00 0.06 -0.04 1.22 1.31 1fp3A1 MET 129 H 0.00 0.32 -0.45 -0.55 8.47 7.79 1fp3A1 MET 129 HA 0.10 0.06 0.41 -0.75 4.52 4.33 1fp3A1 MET 129 HB2 -0.03 0.06 0.10 -0.04 2.15 2.24 1fp3A1 MET 129 HB3 -0.09 -0.03 -0.05 -0.04 2.03 1.81 1fp3A1 MET 129 HG2 -0.14 -0.01 -0.06 -0.04 2.63 2.38 1fp3A1 MET 129 HG3 -0.29 0.14 -0.14 -0.04 2.56 2.24 1fp3A1 MET 129 HE3 -0.64 -0.02 -0.15 -0.04 2.10 1.24 1fp3A1 ALA 130 H 0.07 0.53 -0.09 -0.55 8.40 8.36 1fp3A1 ALA 130 HA 0.19 -0.00 0.44 -0.75 4.34 4.21 1fp3A1 ALA 130 HB3 0.03 0.07 0.19 -0.04 1.41 1.65 1fp3A1 MET 131 H -0.09 0.54 -0.16 -0.55 8.47 8.21 1fp3A1 MET 131 HA -0.10 0.00 0.41 -0.75 4.52 4.07 1fp3A1 MET 131 HB2 -0.07 0.04 0.14 -0.04 2.15 2.22 1fp3A1 MET 131 HB3 0.02 0.14 0.02 -0.04 2.03 2.17 1fp3A1 MET 131 HG2 -0.76 0.18 -0.03 -0.04 2.63 1.98 1fp3A1 MET 131 HG3 -0.23 -0.05 -0.13 -0.04 2.56 2.10 1fp3A1 MET 131 HE3 -0.34 0.01 -0.03 -0.04 2.10 1.69 1fp3A1 ASN 132 H 0.09 0.53 -0.17 -0.55 8.53 8.43 1fp3A1 ASN 132 HA 0.24 -0.03 0.34 -0.75 4.76 4.56 1fp3A1 ASN 132 HB2 0.12 -0.00 0.09 -0.04 2.88 3.04 1fp3A1 ASN 132 HB3 0.18 0.12 0.08 -0.04 2.79 3.13 1fp3A1 ASN 132 HD21 0.34 0.11 0.00 -0.04 7.03 7.44 1fp3A1 ASN 132 HD22 0.14 -0.11 0.04 -0.04 7.74 7.77 1fp3A1 GLU 133 H 0.15 0.39 -0.36 -0.55 8.60 8.23 1fp3A1 GLU 133 HA 0.06 0.10 0.47 -0.75 4.29 4.17 1fp3A1 GLU 133 HB2 0.08 0.10 0.14 -0.04 2.09 2.36 1fp3A1 GLU 133 HB3 -0.09 -0.06 -0.02 -0.04 1.99 1.78 1fp3A1 GLU 133 HG2 0.22 0.06 0.01 -0.04 2.34 2.59 1fp3A1 GLU 133 HG3 -0.48 -0.04 0.06 -0.04 2.34 1.83 1fp3A1 LEU 134 H -0.06 0.52 -0.18 -0.55 8.37 8.11 1fp3A1 LEU 134 HA -0.21 0.03 0.36 -0.75 4.35 3.77 1fp3A1 LEU 134 HB2 -0.50 0.16 0.19 -0.04 1.64 1.45 1fp3A1 LEU 134 HB3 -1.36 -0.09 -0.03 -0.04 1.64 0.11 1fp3A1 LEU 134 HG -0.21 0.09 0.01 -0.04 1.64 1.48 1fp3A1 LEU 134 HD13 -0.40 -0.01 0.01 -0.04 0.93 0.50 1fp3A1 LEU 134 HD23 -0.26 -0.01 -0.13 -0.04 0.89 0.45 1fp3A1 TRP 135 H 0.22 0.48 -0.33 -0.55 7.97 7.79 1fp3A1 TRP 135 HA 0.20 -0.08 0.39 -0.75 4.62 4.39 1fp3A1 TRP 135 HB2 0.17 -0.16 -0.03 -0.04 3.23 3.17 1fp3A1 TRP 135 HB3 0.07 0.23 0.05 -0.04 3.23 3.54 1fp3A1 TRP 135 HD1 0.09 0.09 -0.58 -0.04 7.22 6.78 1fp3A1 TRP 135 HE1 0.04 0.05 -0.14 -0.04 10.20 10.11 1fp3A1 TRP 135 HE3 0.05 0.20 -0.00 -0.04 7.59 7.80 1fp3A1 TRP 135 HZ2 0.03 -0.03 -0.02 -0.04 7.44 7.38 1fp3A1 TRP 135 HZ3 0.05 0.13 -0.02 -0.04 7.13 7.25 1fp3A1 TRP 135 HH2 0.03 0.02 0.01 -0.04 7.19 7.21 1fp3A1 ARG 136 H 0.06 0.39 -0.30 -0.55 8.46 8.06 1fp3A1 ARG 136 HA -0.81 0.02 0.43 -0.75 4.34 3.22 1fp3A1 ARG 136 HB2 -0.08 0.11 0.10 -0.04 1.90 2.00 1fp3A1 ARG 136 HB3 -0.16 -0.03 0.06 -0.04 1.80 1.63 1fp3A1 ARG 136 HG2 -0.07 -0.08 0.03 -0.04 1.67 1.51 1fp3A1 ARG 136 HG3 0.20 0.39 0.15 -0.04 1.67 2.36 1fp3A1 ARG 136 HD2 0.04 -0.06 -0.04 -0.04 3.22 3.13 1fp3A1 ARG 136 HD3 0.01 -0.02 -0.02 -0.04 3.22 3.15 1fp3A1 VAL 137 H -0.13 0.33 -0.43 -0.55 8.24 7.46 1fp3A1 VAL 137 HA -0.06 0.24 0.91 -0.75 4.13 4.47 1fp3A1 VAL 137 HB -0.21 -0.06 0.11 -0.04 2.12 1.92 1fp3A1 VAL 137 HG13 -0.01 0.00 -0.09 -0.04 0.97 0.83 1fp3A1 VAL 137 HG23 -0.17 0.06 0.02 -0.04 0.95 0.82 1fp3A1 THR 138 H -0.10 0.09 -0.08 -0.55 8.28 7.64 1fp3A1 THR 138 HA -0.01 0.23 0.94 -0.75 4.39 4.80 1fp3A1 THR 138 HB 0.10 -0.04 0.12 -0.04 4.32 4.45 1fp3A1 THR 138 HG23 0.01 0.05 -0.14 -0.04 1.22 1.11 1fp3A1 ALA 139 H -0.21 0.47 0.16 -0.55 8.40 8.27 1fp3A1 ALA 139 HA -0.47 0.15 0.34 -0.75 4.34 3.61 1fp3A1 ALA 139 HB3 -0.05 0.06 0.03 -0.04 1.41 1.40 1fp3A1 GLU 140 H 0.23 0.06 -0.46 -0.55 8.60 7.88 1fp3A1 GLU 140 HA 0.11 0.10 0.51 -0.75 4.29 4.26 1fp3A1 GLU 140 HB2 0.01 -0.06 0.08 -0.04 2.09 2.07 1fp3A1 GLU 140 HB3 -0.10 -0.05 0.04 -0.04 1.99 1.84 1fp3A1 GLU 140 HG2 0.09 0.18 -0.08 -0.04 2.34 2.49 1fp3A1 GLU 140 HG3 0.21 0.02 -0.02 -0.04 2.34 2.50 1fp3A1 ALA 141 H 0.12 0.25 0.24 -0.55 8.40 8.46 1fp3A1 ALA 141 HA 0.06 0.08 0.37 -0.75 4.34 4.10 1fp3A1 ALA 141 HB3 0.02 0.04 0.11 -0.04 1.41 1.53 1fp3A1 ARG 142 H -0.07 0.13 -0.25 -0.55 8.46 7.71 1fp3A1 ARG 142 HA -0.07 0.07 0.38 -0.75 4.34 3.96 1fp3A1 ARG 142 HB2 -0.10 0.06 0.07 -0.04 1.90 1.89 1fp3A1 ARG 142 HB3 -0.16 -0.03 0.06 -0.04 1.80 1.63 1fp3A1 ARG 142 HG2 -0.32 0.04 -0.60 -0.04 1.67 0.75 1fp3A1 ARG 142 HG3 -0.15 0.06 -0.07 -0.04 1.67 1.46 1fp3A1 ARG 142 HD2 -0.25 0.00 -0.04 -0.04 3.22 2.90 1fp3A1 ARG 142 HD3 -0.72 -0.04 -0.09 -0.04 3.22 2.32 1fp3A1 TYR 143 H 0.01 0.41 -0.39 -0.55 8.29 7.77 1fp3A1 TYR 143 HA 0.02 0.10 0.48 -0.75 4.56 4.41 1fp3A1 TYR 143 HB2 0.26 0.12 0.08 -0.04 3.06 3.48 1fp3A1 TYR 143 HB3 0.15 0.26 0.03 -0.04 2.98 3.37 1fp3A1 TYR 143 HD2 0.07 0.00 -0.08 -0.04 7.15 7.10 1fp3A1 TYR 143 HE2 0.02 0.03 -0.08 -0.04 6.85 6.77 1fp3A1 GLN 144 H -0.02 0.25 -0.09 -0.55 8.47 8.06 1fp3A1 GLN 144 HA -0.16 0.07 0.42 -0.75 4.36 3.93 1fp3A1 GLN 144 HB2 -1.66 0.04 0.05 -0.04 2.15 0.55 1fp3A1 GLN 144 HB3 -0.64 0.07 0.10 -0.04 2.02 1.51 1fp3A1 GLN 144 HG2 -0.89 0.02 -0.04 -0.04 2.40 1.45 1fp3A1 GLN 144 HG3 -0.42 -0.08 -0.13 -0.04 2.39 1.72 1fp3A1 GLN 144 HE21 -0.43 0.12 0.01 -0.04 6.97 6.63 1fp3A1 GLN 144 HE22 -0.72 -0.04 -0.01 -0.04 7.69 6.88 1fp3A1 SER 145 H -0.10 0.56 -0.15 -0.55 8.46 8.22 1fp3A1 SER 145 HA -0.09 0.02 0.42 -0.75 4.49 4.08 1fp3A1 SER 145 HB2 -0.04 0.08 0.04 -0.04 3.95 3.99 1fp3A1 SER 145 HB3 -0.05 -0.02 0.02 -0.04 3.93 3.84 1fp3A1 GLU 146 H 0.01 0.44 -0.26 -0.55 8.60 8.24 1fp3A1 GLU 146 HA 0.07 0.03 0.35 -0.75 4.29 3.99 1fp3A1 GLU 146 HB2 0.09 0.13 0.23 -0.04 2.09 2.50 1fp3A1 GLU 146 HB3 0.11 -0.04 -0.03 -0.04 1.99 2.00 1fp3A1 GLU 146 HG2 0.06 0.06 0.09 -0.04 2.34 2.51 1fp3A1 GLU 146 HG3 0.14 -0.01 0.03 -0.04 2.34 2.46 1fp3A1 ALA 147 H 0.02 0.49 -0.30 -0.55 8.40 8.06 1fp3A1 ALA 147 HA 0.06 -0.02 0.44 -0.75 4.34 4.07 1fp3A1 ALA 147 HB3 0.01 0.01 0.08 -0.04 1.41 1.47 1fp3A1 VAL 148 H -0.05 0.83 0.04 -0.55 8.24 8.51 1fp3A1 VAL 148 HA 0.03 0.01 0.45 -0.75 4.13 3.87 1fp3A1 VAL 148 HB -0.06 0.07 0.15 -0.04 2.12 2.24 1fp3A1 VAL 148 HG13 0.01 -0.02 -0.14 -0.04 0.97 0.78 1fp3A1 VAL 148 HG23 -0.08 0.02 0.04 -0.04 0.95 0.89 1fp3A1 ASP 149 H -0.02 0.73 -0.16 -0.55 8.40 8.40 1fp3A1 ASP 149 HA -0.05 -0.01 0.42 -0.75 4.63 4.23 1fp3A1 ASP 149 HB2 -0.01 0.17 0.14 -0.04 2.71 2.97 1fp3A1 ASP 149 HB3 -0.05 -0.05 -0.02 -0.04 2.70 2.54 1fp3A1 MET 150 H 0.03 0.59 -0.15 -0.55 8.47 8.40 1fp3A1 MET 150 HA -0.09 0.01 0.45 -0.75 4.52 4.14 1fp3A1 MET 150 HB2 0.16 0.12 0.13 -0.04 2.15 2.53 1fp3A1 MET 150 HB3 0.12 0.08 0.15 -0.04 2.03 2.33 1fp3A1 MET 150 HG2 0.20 0.02 0.03 -0.04 2.63 2.84 1fp3A1 MET 150 HG3 0.05 -0.08 -0.15 -0.04 2.56 2.33 1fp3A1 MET 150 HE3 -0.29 0.06 0.04 -0.04 2.10 1.87 1fp3A1 MET 151 H -0.02 0.61 -0.18 -0.55 8.47 8.33 1fp3A1 MET 151 HA -0.10 -0.04 0.37 -0.75 4.52 4.00 1fp3A1 MET 151 HB2 -0.07 0.06 0.11 -0.04 2.15 2.21 1fp3A1 MET 151 HB3 -0.02 0.19 0.23 -0.04 2.03 2.38 1fp3A1 MET 151 HG2 -0.51 0.01 -0.06 -0.04 2.63 2.02 1fp3A1 MET 151 HG3 -0.37 -0.03 -0.31 -0.04 2.56 1.82 1fp3A1 MET 151 HE3 -0.67 0.01 -0.09 -0.04 2.10 1.32 1fp3A1 ASP 152 H -0.05 0.65 -0.13 -0.55 8.40 8.32 1fp3A1 ASP 152 HA -0.05 -0.03 0.42 -0.75 4.63 4.22 1fp3A1 ASP 152 HB2 -0.07 0.13 0.09 -0.04 2.71 2.81 1fp3A1 ASP 152 HB3 -0.05 -0.06 0.05 -0.04 2.70 2.60 1fp3A1 GLN 153 H -0.18 0.40 -0.44 -0.55 8.47 7.70 1fp3A1 GLN 153 HA -0.45 -0.00 0.41 -0.75 4.36 3.56 1fp3A1 GLN 153 HB2 -0.31 0.19 0.22 -0.04 2.15 2.20 1fp3A1 GLN 153 HB3 -0.50 0.04 0.13 -0.04 2.02 1.66 1fp3A1 GLN 153 HG2 -0.47 0.01 0.03 -0.04 2.40 1.94 1fp3A1 GLN 153 HG3 -1.26 -0.05 -0.04 -0.04 2.39 0.99 1fp3A1 GLN 153 HE21 -0.99 -0.02 0.02 -0.04 6.97 5.95 1fp3A1 GLN 153 HE22 -3.30 0.00 -0.04 -0.04 7.69 4.30 1fp3A1 ILE 154 H -0.17 0.71 -0.03 -0.55 8.25 8.21 1fp3A1 ILE 154 HA 0.22 -0.04 0.31 -0.75 4.18 3.91 1fp3A1 ILE 154 HB -0.06 0.19 0.15 -0.04 1.89 2.12 1fp3A1 ILE 154 HG12 0.17 -0.12 -0.00 -0.04 1.49 1.51 1fp3A1 ILE 154 HG13 0.00 0.17 0.06 -0.04 1.21 1.40 1fp3A1 ILE 154 HG23 0.01 -0.04 -0.14 -0.04 0.93 0.73 1fp3A1 ILE 154 HD13 -0.02 -0.03 -0.24 -0.04 0.88 0.55 1fp3A1 VAL 155 H -0.10 0.61 -0.14 -0.55 8.24 8.06 1fp3A1 VAL 155 HA -0.09 -0.02 0.34 -0.75 4.13 3.61 1fp3A1 VAL 155 HB -0.07 0.09 0.12 -0.04 2.12 2.22 1fp3A1 VAL 155 HG13 -0.11 -0.01 -0.12 -0.04 0.97 0.69 1fp3A1 VAL 155 HG23 -0.15 0.08 0.00 -0.04 0.95 0.83 1fp3A1 HIS 156 H -0.03 0.61 -0.17 -0.55 8.41 8.28 1fp3A1 HIS 156 HA -0.09 -0.02 0.31 -0.75 4.63 4.08 1fp3A1 HIS 156 HB2 -0.15 0.03 0.13 -0.04 3.26 3.23 1fp3A1 HIS 156 HB3 -0.29 0.19 0.21 -0.04 3.20 3.26 1fp3A1 HIS 156 HD2 -0.14 0.02 -0.11 -0.04 6.97 6.69 1fp3A1 HIS 156 HE1 -0.02 0.02 -0.08 -0.04 7.75 7.62 1fp3A1 TRP 157 H 0.03 0.64 -0.12 -0.55 7.97 7.97 1fp3A1 TRP 157 HA -0.12 0.10 0.29 -0.75 4.62 4.14 1fp3A1 TRP 157 HB2 -0.04 0.10 0.10 -0.04 3.23 3.35 1fp3A1 TRP 157 HB3 -0.06 -0.06 -0.17 -0.04 3.23 2.91 1fp3A1 TRP 157 HD1 0.03 0.14 0.06 -0.04 7.22 7.41 1fp3A1 TRP 157 HE1 0.04 -0.07 0.05 -0.04 10.20 10.17 1fp3A1 TRP 157 HE3 -0.05 -0.04 -0.12 -0.04 7.59 7.34 1fp3A1 TRP 157 HZ2 -0.00 -0.04 0.02 -0.04 7.44 7.37 1fp3A1 TRP 157 HZ3 -0.04 -0.07 -0.07 -0.04 7.13 6.91 1fp3A1 TRP 157 HH2 -0.03 -0.08 -0.26 -0.04 7.19 6.78 1fp3A1 VAL 158 H 0.09 0.59 -0.22 -0.55 8.24 8.15 1fp3A1 VAL 158 HA 0.04 0.04 0.57 -0.75 4.13 4.02 1fp3A1 VAL 158 HB -0.03 0.09 0.10 -0.04 2.12 2.23 1fp3A1 VAL 158 HG13 0.11 -0.03 -0.14 -0.04 0.97 0.87 1fp3A1 VAL 158 HG23 0.05 0.02 -0.02 -0.04 0.95 0.96 1fp3A1 ARG 159 H -0.13 0.72 0.06 -0.55 8.46 8.56 1fp3A1 ARG 159 HA -0.16 0.19 0.95 -0.75 4.34 4.57 1fp3A1 ARG 159 HB2 -0.25 -0.01 -0.07 -0.04 1.90 1.53 1fp3A1 ARG 159 HB3 -0.45 -0.04 0.10 -0.04 1.80 1.37 1fp3A1 ARG 159 HG2 -0.29 -0.08 0.02 -0.04 1.67 1.28 1fp3A1 ARG 159 HG3 -0.28 -0.03 -0.03 -0.04 1.67 1.30 1fp3A1 ARG 159 HD2 -1.15 -0.03 -0.08 -0.04 3.22 1.92 1fp3A1 ARG 159 HD3 -0.67 -0.05 -0.04 -0.04 3.22 2.42 1fp3A1 GLU 160 H -0.21 0.54 0.02 -0.55 8.60 8.41 1fp3A1 GLU 160 HA -0.13 0.17 0.87 -0.75 4.29 4.45 1fp3A1 GLU 160 HB2 -0.59 0.02 0.05 -0.04 2.09 1.53 1fp3A1 GLU 160 HB3 -0.15 -0.07 0.06 -0.04 1.99 1.79 1fp3A1 GLU 160 HG2 -0.06 -0.02 -0.04 -0.04 2.34 2.18 1fp3A1 GLU 160 HG3 -0.14 0.08 -0.77 -0.04 2.34 1.47 1fp3A1 ASP 161 H -0.22 0.36 0.02 -0.55 8.40 8.02 1fp3A1 ASP 161 HA -0.04 0.13 0.64 -0.75 4.63 4.61 1fp3A1 ASP 161 HB2 -0.24 0.03 -0.32 -0.04 2.71 2.14 1fp3A1 ASP 161 HB3 0.15 -0.11 0.15 -0.04 2.70 2.85 1fp3A1 PRO 162 HA -0.05 0.18 0.54 -0.51 4.44 4.61 1fp3A1 PRO 162 HB2 -0.03 0.04 -0.03 -0.04 2.28 2.22 1fp3A1 PRO 162 HB3 -0.02 0.06 0.12 -0.04 2.02 2.13 1fp3A1 PRO 162 HG2 -0.01 -0.02 0.04 -0.04 2.03 1.99 1fp3A1 PRO 162 HG3 -0.01 0.06 0.03 -0.04 2.03 2.07 1fp3A1 PRO 162 HD2 -0.02 0.12 0.03 -0.04 3.68 3.77 1fp3A1 PRO 162 HD3 -0.03 0.20 -0.07 -0.04 3.65 3.72 1fp3A1 SER 163 H 0.01 0.08 -0.43 -0.55 8.46 7.57 1fp3A1 SER 163 HA -0.03 0.09 0.32 -0.75 4.49 4.12 1fp3A1 SER 163 HB2 0.07 0.01 0.02 -0.04 3.95 4.01 1fp3A1 SER 163 HB3 0.03 0.01 -0.01 -0.04 3.93 3.91 1fp3A1 GLY 164 H 0.16 0.32 -0.18 -0.55 8.43 8.19 1fp3A1 GLY 164 HA2 0.17 0.01 0.31 -0.51 4.01 4.00 1fp3A1 GLY 164 HA3 0.62 0.03 0.29 -0.51 4.01 4.44 1fp3A1 LEU 165 H -0.29 0.33 -0.90 -0.55 8.37 6.97 1fp3A1 LEU 165 HA -0.53 0.09 0.82 -0.75 4.35 3.97 1fp3A1 LEU 165 HB2 -0.29 0.27 -0.02 -0.04 1.64 1.55 1fp3A1 LEU 165 HB3 -0.35 -0.17 -0.10 -0.04 1.64 0.98 1fp3A1 LEU 165 HG -1.25 -0.09 -0.33 -0.04 1.64 -0.08 1fp3A1 LEU 165 HD13 -0.24 0.01 -0.11 -0.04 0.93 0.55 1fp3A1 LEU 165 HD23 -0.80 -0.06 -0.23 -0.04 0.89 -0.24 1fp3A1 GLY 166 H -0.12 0.50 0.15 -0.55 8.43 8.41 1fp3A1 GLY 166 HA2 -0.05 0.01 0.34 -0.51 4.01 3.80 1fp3A1 GLY 166 HA3 -0.07 0.06 0.71 -0.51 4.01 4.21 1fp3A1 ARG 167 H -0.03 0.07 0.15 -0.55 8.46 8.09 1fp3A1 ARG 167 HA -0.02 0.01 0.32 -0.75 4.34 3.90 1fp3A1 ARG 167 HB2 -0.02 -0.05 0.10 -0.04 1.90 1.88 1fp3A1 ARG 167 HB3 -0.04 -0.04 -0.11 -0.04 1.80 1.58 1fp3A1 ARG 167 HG2 -0.04 0.29 0.18 -0.04 1.67 2.06 1fp3A1 ARG 167 HG3 -0.03 -0.11 0.07 -0.04 1.67 1.56 1fp3A1 ARG 167 HD2 -0.07 0.01 -0.37 -0.04 3.22 2.74 1fp3A1 ARG 167 HD3 -0.06 -0.00 -0.07 -0.04 3.22 3.04 1fp3A1 PRO 168 HA -0.01 -0.02 0.51 -0.51 4.44 4.41 1fp3A1 PRO 168 HB2 -0.01 -0.01 0.01 -0.04 2.28 2.23 1fp3A1 PRO 168 HB3 -0.00 0.05 0.03 -0.04 2.02 2.05 1fp3A1 PRO 168 HG2 -0.01 0.02 0.04 -0.04 2.03 2.04 1fp3A1 PRO 168 HG3 -0.01 0.05 0.02 -0.04 2.03 2.05 1fp3A1 PRO 168 HD2 -0.02 -0.01 0.12 -0.04 3.68 3.73 1fp3A1 PRO 168 HD3 -0.02 0.09 -0.28 -0.04 3.65 3.39 1fp3A1 GLN 169 H -0.01 0.06 0.18 -0.55 8.47 8.15 1fp3A1 GLN 169 HA -0.01 0.02 0.48 -0.75 4.36 4.09 1fp3A1 GLN 169 HB2 -0.00 -0.06 0.13 -0.04 2.15 2.18 1fp3A1 GLN 169 HB3 -0.00 0.14 -0.07 -0.04 2.02 2.05 1fp3A1 GLN 169 HG2 -0.01 0.09 0.06 -0.04 2.40 2.51 1fp3A1 GLN 169 HG3 -0.00 -0.02 0.04 -0.04 2.39 2.36 1fp3A1 GLN 169 HE21 0.00 0.08 -0.48 -0.04 6.97 6.53 1fp3A1 GLN 169 HE22 0.00 -0.03 -0.09 -0.04 7.69 7.54 1fp3A1 LEU 170 H -0.00 0.05 0.22 -0.55 8.37 8.09 1fp3A1 LEU 170 HA -0.00 0.18 0.53 -0.75 4.35 4.30 1fp3A1 LEU 170 HB2 -0.01 -0.08 0.20 -0.04 1.64 1.71 1fp3A1 LEU 170 HB3 -0.00 -0.07 0.10 -0.04 1.64 1.62 1fp3A1 LEU 170 HG -0.01 -0.02 0.05 -0.04 1.64 1.63 1fp3A1 LEU 170 HD13 -0.00 0.03 0.00 -0.04 0.93 0.92 1fp3A1 LEU 170 HD23 -0.01 0.03 0.06 -0.04 0.89 0.93 1fp3A1 PRO 171 HA -0.00 0.14 0.27 -0.51 4.44 4.34 1fp3A1 PRO 171 HB2 -0.00 0.03 0.05 -0.04 2.28 2.32 1fp3A1 PRO 171 HB3 -0.00 0.04 0.12 -0.04 2.02 2.14 1fp3A1 PRO 171 HG2 -0.00 0.01 0.02 -0.04 2.03 2.02 1fp3A1 PRO 171 HG3 -0.00 0.05 0.07 -0.04 2.03 2.11 1fp3A1 PRO 171 HD2 -0.00 0.04 0.22 -0.04 3.68 3.89 1fp3A1 PRO 171 HD3 -0.00 0.19 0.21 -0.04 3.65 4.00 1fp3A1 GLY 172 H -0.00 -0.11 -0.76 -0.55 8.43 7.01 1fp3A1 GLY 172 HA2 -0.00 0.18 0.71 -0.51 4.01 4.39 1fp3A1 GLY 172 HA3 -0.00 -0.05 0.20 -0.51 4.01 3.65 1fp3A1 ALA 173 H -0.00 0.12 -0.03 -0.55 8.40 7.94 1fp3A1 ALA 173 HA -0.01 -0.02 0.49 -0.75 4.34 4.04 1fp3A1 ALA 173 HB3 -0.00 0.01 0.10 -0.04 1.41 1.48 1fp3A1 VAL 174 H -0.00 0.05 0.18 -0.55 8.24 7.92 1fp3A1 VAL 174 HA 0.00 0.13 0.52 -0.75 4.13 4.02 1fp3A1 VAL 174 HB 0.00 0.03 -0.16 -0.04 2.12 1.94 1fp3A1 VAL 174 HG13 -0.00 0.02 0.02 -0.04 0.97 0.96 1fp3A1 VAL 174 HG23 -0.00 -0.01 0.09 -0.04 0.95 0.98 1fp3A1 ALA 175 H 0.01 0.15 0.13 -0.55 8.40 8.14 1fp3A1 ALA 175 HA 0.01 0.09 0.45 -0.75 4.34 4.14 1fp3A1 ALA 175 HB3 0.01 0.01 0.15 -0.04 1.41 1.54 1fp3A1 SER 176 H 0.02 0.27 0.26 -0.55 8.46 8.47 1fp3A1 SER 176 HA 0.02 0.15 0.98 -0.75 4.49 4.88 1fp3A1 SER 176 HB2 0.03 0.01 -0.18 -0.04 3.95 3.76 1fp3A1 SER 176 HB3 0.02 -0.01 -0.31 -0.04 3.93 3.59 1fp3A1 GLU 177 H 0.03 0.79 0.25 -0.55 8.60 9.13 1fp3A1 GLU 177 HA 0.10 0.09 0.81 -0.75 4.29 4.53 1fp3A1 GLU 177 HB2 0.08 -0.02 -0.00 -0.04 2.09 2.11 1fp3A1 GLU 177 HB3 0.06 0.08 0.03 -0.04 1.99 2.11 1fp3A1 GLU 177 HG2 0.21 0.07 -0.41 -0.04 2.34 2.17 1fp3A1 GLU 177 HG3 0.13 -0.05 0.02 -0.04 2.34 2.40 1fp3A1 SER 178 H 0.13 0.13 0.21 -0.55 8.46 8.39 1fp3A1 SER 178 HA 0.19 0.27 0.77 -0.75 4.49 4.97 1fp3A1 SER 178 HB2 0.15 0.07 0.06 -0.04 3.95 4.19 1fp3A1 SER 178 HB3 0.17 -0.01 0.18 -0.04 3.93 4.22 1fp3A1 MET 179 H 0.08 0.62 0.32 -0.55 8.47 8.94 1fp3A1 MET 179 HA -0.40 0.12 0.34 -0.75 4.52 3.83 1fp3A1 MET 179 HB2 -0.31 0.25 0.20 -0.04 2.15 2.25 1fp3A1 MET 179 HB3 -0.12 -0.12 0.02 -0.04 2.03 1.77 1fp3A1 MET 179 HG2 -0.32 -0.13 0.00 -0.04 2.63 2.15 1fp3A1 MET 179 HG3 -0.89 0.13 0.03 -0.04 2.56 1.78 1fp3A1 MET 179 HE3 0.16 0.06 -0.06 -0.04 2.10 2.23 1fp3A1 ALA 180 H 0.14 0.09 -0.21 -0.55 8.40 7.87 1fp3A1 ALA 180 HA -0.07 0.04 0.30 -0.75 4.34 3.86 1fp3A1 ALA 180 HB3 0.27 0.00 0.02 -0.04 1.41 1.67 1fp3A1 VAL 181 H 0.15 0.36 -0.43 -0.55 8.24 7.77 1fp3A1 VAL 181 HA 0.11 -0.04 0.40 -0.75 4.13 3.84 1fp3A1 VAL 181 HB 0.10 0.21 0.17 -0.04 2.12 2.56 1fp3A1 VAL 181 HG13 0.10 0.00 -0.11 -0.04 0.97 0.92 1fp3A1 VAL 181 HG23 0.08 -0.04 0.06 -0.04 0.95 1.01 1fp3A1 PRO 182 HA 0.04 0.02 0.46 -0.51 4.44 4.45 1fp3A1 PRO 182 HB2 -0.15 0.05 0.03 -0.04 2.28 2.17 1fp3A1 PRO 182 HB3 -0.26 0.08 0.15 -0.04 2.02 1.95 1fp3A1 PRO 182 HG2 -0.07 0.08 -0.06 -0.04 2.03 1.93 1fp3A1 PRO 182 HG3 -0.13 0.03 0.03 -0.04 2.03 1.92 1fp3A1 PRO 182 HD2 -0.03 0.34 0.12 -0.04 3.68 4.07 1fp3A1 PRO 182 HD3 0.06 0.07 0.14 -0.04 3.65 3.89 1fp3A1 MET 183 H -0.07 0.50 -0.29 -0.55 8.47 8.07 1fp3A1 MET 183 HA -0.05 0.05 0.31 -0.75 4.52 4.07 1fp3A1 MET 183 HB2 -0.07 0.04 0.06 -0.04 2.15 2.14 1fp3A1 MET 183 HB3 0.05 -0.04 -0.09 -0.04 2.03 1.90 1fp3A1 MET 183 HG2 -0.16 -0.02 -0.02 -0.04 2.63 2.39 1fp3A1 MET 183 HG3 -0.17 0.20 -0.03 -0.04 2.56 2.52 1fp3A1 MET 183 HE3 -0.46 -0.01 -0.10 -0.04 2.10 1.50 1fp3A1 MET 184 H 0.00 0.69 -0.04 -0.55 8.47 8.57 1fp3A1 MET 184 HA -0.17 -0.01 0.41 -0.75 4.52 4.00 1fp3A1 MET 184 HB2 0.06 0.20 0.20 -0.04 2.15 2.56 1fp3A1 MET 184 HB3 -0.13 -0.07 -0.05 -0.04 2.03 1.74 1fp3A1 MET 184 HG2 0.11 0.08 0.05 -0.04 2.63 2.84 1fp3A1 MET 184 HG3 0.03 -0.10 -0.01 -0.04 2.56 2.44 1fp3A1 MET 184 HE3 -0.52 -0.00 -0.00 -0.04 2.10 1.54 1fp3A1 LEU 185 H -0.05 0.62 -0.15 -0.55 8.37 8.24 1fp3A1 LEU 185 HA -0.11 -0.01 0.40 -0.75 4.35 3.87 1fp3A1 LEU 185 HB2 0.05 0.14 0.15 -0.04 1.64 1.93 1fp3A1 LEU 185 HB3 0.04 -0.00 -0.08 -0.04 1.64 1.56 1fp3A1 LEU 185 HG 0.01 -0.01 -0.04 -0.04 1.64 1.55 1fp3A1 LEU 185 HD13 0.14 0.00 -0.08 -0.04 0.93 0.95 1fp3A1 LEU 185 HD23 -0.09 -0.02 -0.05 -0.04 0.89 0.69 1fp3A1 LEU 186 H -0.12 0.80 -0.11 -0.55 8.37 8.40 1fp3A1 LEU 186 HA -0.13 -0.02 0.38 -0.75 4.35 3.83 1fp3A1 LEU 186 HB2 -0.18 0.01 0.03 -0.04 1.64 1.45 1fp3A1 LEU 186 HB3 -0.23 0.13 0.10 -0.04 1.64 1.59 1fp3A1 LEU 186 HG -0.26 -0.01 -0.23 -0.04 1.64 1.10 1fp3A1 LEU 186 HD13 -0.33 -0.00 0.07 -0.04 0.93 0.63 1fp3A1 LEU 186 HD23 -0.28 -0.01 -0.16 -0.04 0.89 0.39 1fp3A1 CYS 187 H -0.37 0.56 -0.25 -0.55 8.50 7.89 1fp3A1 CYS 187 HA -0.65 0.01 0.35 -0.75 4.58 3.53 1fp3A1 CYS 187 HB2 -0.85 0.05 0.08 -0.04 2.97 2.21 1fp3A1 CYS 187 HB3 -0.40 0.17 0.14 -0.04 2.97 2.84 1fp3A1 LEU 188 H -0.23 0.50 -0.24 -0.55 8.37 7.85 1fp3A1 LEU 188 HA -0.13 -0.01 0.36 -0.75 4.35 3.81 1fp3A1 LEU 188 HB2 -0.18 0.20 0.21 -0.04 1.64 1.83 1fp3A1 LEU 188 HB3 -0.17 -0.05 -0.05 -0.04 1.64 1.33 1fp3A1 LEU 188 HG -0.23 0.08 0.02 -0.04 1.64 1.46 1fp3A1 LEU 188 HD13 -0.15 -0.04 -0.01 -0.04 0.93 0.69 1fp3A1 LEU 188 HD23 -0.14 0.03 -0.04 -0.04 0.89 0.70 1fp3A1 VAL 189 H -0.13 0.62 -0.07 -0.55 8.24 8.11 1fp3A1 VAL 189 HA -0.02 -0.04 0.32 -0.75 4.13 3.63 1fp3A1 VAL 189 HB -0.02 0.13 0.15 -0.04 2.12 2.34 1fp3A1 VAL 189 HG13 0.14 -0.03 -0.08 -0.04 0.97 0.96 1fp3A1 VAL 189 HG23 -0.06 0.06 -0.05 -0.04 0.95 0.86 1fp3A1 GLU 190 H -0.06 0.61 -0.27 -0.55 8.60 8.33 1fp3A1 GLU 190 HA 0.08 -0.01 0.33 -0.75 4.29 3.93 1fp3A1 GLU 190 HB2 -0.09 0.12 0.14 -0.04 2.09 2.22 1fp3A1 GLU 190 HB3 0.06 -0.05 -0.05 -0.04 1.99 1.90 1fp3A1 GLU 190 HG2 0.11 -0.03 -0.06 -0.04 2.34 2.32 1fp3A1 GLU 190 HG3 0.03 0.04 -0.00 -0.04 2.34 2.36 1fp3A1 GLN 191 H -0.01 0.59 -0.08 -0.55 8.47 8.43 1fp3A1 GLN 191 HA 0.17 -0.01 0.33 -0.75 4.36 4.10 1fp3A1 GLN 191 HB2 0.10 -0.04 0.07 -0.04 2.15 2.24 1fp3A1 GLN 191 HB3 0.03 0.06 0.19 -0.04 2.02 2.26 1fp3A1 GLN 191 HG2 0.17 -0.08 -0.03 -0.04 2.40 2.42 1fp3A1 GLN 191 HG3 0.18 0.03 -0.35 -0.04 2.39 2.21 1fp3A1 GLN 191 HE21 0.25 -0.01 -0.07 -0.04 6.97 7.09 1fp3A1 GLN 191 HE22 0.25 -0.02 -0.17 -0.04 7.69 7.71 1fp3A1 LEU 192 H 0.07 0.63 -0.10 -0.55 8.37 8.43 1fp3A1 LEU 192 HA 0.15 0.04 0.40 -0.75 4.35 4.18 1fp3A1 LEU 192 HB2 0.18 0.07 -0.00 -0.04 1.64 1.84 1fp3A1 LEU 192 HB3 0.16 -0.11 -0.05 -0.04 1.64 1.60 1fp3A1 LEU 192 HG 0.01 0.24 -0.01 -0.04 1.64 1.84 1fp3A1 LEU 192 HD13 0.02 -0.03 -0.09 -0.04 0.93 0.79 1fp3A1 LEU 192 HD23 0.07 -0.02 -0.09 -0.04 0.89 0.81 1fp3A1 GLY 193 H 0.12 0.61 -0.15 -0.55 8.43 8.47 1fp3A1 GLY 193 HA2 0.10 -0.09 0.33 -0.51 4.01 3.84 1fp3A1 GLY 193 HA3 0.10 0.01 0.24 -0.51 4.01 3.85 1fp3A1 GLU 194 H 0.12 0.38 -0.54 -0.55 8.60 8.02 1fp3A1 GLU 194 HA 0.09 -0.11 0.34 -0.75 4.29 3.86 1fp3A1 GLU 194 HB2 0.14 0.39 0.15 -0.04 2.09 2.72 1fp3A1 GLU 194 HB3 0.12 -0.04 -0.04 -0.04 1.99 1.98 1fp3A1 GLU 194 HG2 0.09 -0.07 -0.01 -0.04 2.34 2.31 1fp3A1 GLU 194 HG3 0.11 -0.01 0.01 -0.04 2.34 2.41 1fp3A1 GLU 195 H 0.07 0.07 0.19 -0.55 8.60 8.38 1fp3A1 GLU 195 HA 0.06 -0.06 0.35 -0.75 4.29 3.88 1fp3A1 GLU 195 HB2 0.07 0.12 -0.34 -0.04 2.09 1.89 1fp3A1 GLU 195 HB3 0.06 -0.02 0.27 -0.04 1.99 2.25 1fp3A1 GLU 195 HG2 0.03 0.00 0.04 -0.04 2.34 2.37 1fp3A1 GLU 195 HG3 0.04 -0.04 0.08 -0.04 2.34 2.38 1fp3A1 ASP 196 H 0.09 0.51 -0.38 -0.55 8.40 8.07 1fp3A1 ASP 196 HA 0.12 0.06 0.71 -0.75 4.63 4.76 1fp3A1 ASP 196 HB2 0.22 0.26 -0.22 -0.04 2.71 2.94 1fp3A1 ASP 196 HB3 0.12 0.15 0.08 -0.04 2.70 3.00 1fp3A1 GLU 197 H 0.05 0.22 0.04 -0.55 8.60 8.37 1fp3A1 GLU 197 HA 0.03 0.12 0.41 -0.75 4.29 4.09 1fp3A1 GLU 197 HB2 0.03 -0.01 0.13 -0.04 2.09 2.19 1fp3A1 GLU 197 HB3 0.01 0.03 -0.03 -0.04 1.99 1.96 1fp3A1 GLU 197 HG2 0.02 0.03 0.04 -0.04 2.34 2.39 1fp3A1 GLU 197 HG3 0.03 -0.01 0.03 -0.04 2.34 2.35 1fp3A1 GLU 198 H 0.02 0.11 -0.15 -0.55 8.60 8.03 1fp3A1 GLU 198 HA -0.03 0.09 0.39 -0.75 4.29 3.99 1fp3A1 GLU 198 HB2 -0.00 0.00 0.11 -0.04 2.09 2.16 1fp3A1 GLU 198 HB3 -0.04 0.04 0.01 -0.04 1.99 1.96 1fp3A1 GLU 198 HG2 -0.04 0.00 0.04 -0.04 2.34 2.31 1fp3A1 GLU 198 HG3 -0.02 0.02 0.02 -0.04 2.34 2.32 1fp3A1 LEU 199 H -0.01 0.16 -0.17 -0.55 8.37 7.80 1fp3A1 LEU 199 HA -0.18 0.00 0.35 -0.75 4.35 3.76 1fp3A1 LEU 199 HB2 0.04 0.18 0.01 -0.04 1.64 1.83 1fp3A1 LEU 199 HB3 0.09 -0.00 -0.32 -0.04 1.64 1.37 1fp3A1 LEU 199 HG -0.05 0.04 -0.00 -0.04 1.64 1.58 1fp3A1 LEU 199 HD13 0.12 0.01 -0.05 -0.04 0.93 0.96 1fp3A1 LEU 199 HD23 -0.14 -0.04 -0.07 -0.04 0.89 0.60 1fp3A1 ALA 200 H 0.03 0.65 -0.15 -0.55 8.40 8.39 1fp3A1 ALA 200 HA 0.08 0.02 0.37 -0.75 4.34 4.06 1fp3A1 ALA 200 HB3 0.05 0.05 0.11 -0.04 1.41 1.57 1fp3A1 GLY 201 H -0.02 0.69 -0.18 -0.55 8.43 8.38 1fp3A1 GLY 201 HA2 -0.00 -0.02 0.43 -0.51 4.01 3.91 1fp3A1 GLY 201 HA3 -0.03 0.04 0.34 -0.51 4.01 3.85 1fp3A1 ARG 202 H -0.14 0.60 -0.05 -0.55 8.46 8.32 1fp3A1 ARG 202 HA -0.17 -0.01 0.41 -0.75 4.34 3.82 1fp3A1 ARG 202 HB2 -0.32 0.11 0.13 -0.04 1.90 1.78 1fp3A1 ARG 202 HB3 -0.95 0.01 0.00 -0.04 1.80 0.82 1fp3A1 ARG 202 HG2 -0.21 -0.02 0.06 -0.04 1.67 1.46 1fp3A1 ARG 202 HG3 -0.25 -0.04 -0.03 -0.04 1.67 1.31 1fp3A1 ARG 202 HD2 -0.78 0.02 -0.12 -0.04 3.22 2.29 1fp3A1 ARG 202 HD3 -0.21 -0.02 0.01 -0.04 3.22 2.95 1fp3A1 TYR 203 H -0.10 0.65 -0.19 -0.55 8.29 8.10 1fp3A1 TYR 203 HA 0.01 0.13 0.93 -0.75 4.56 4.87 1fp3A1 TYR 203 HB2 0.02 0.17 0.07 -0.04 3.06 3.28 1fp3A1 TYR 203 HB3 0.02 -0.14 0.16 -0.04 2.98 2.99 1fp3A1 TYR 203 HD2 -0.01 0.03 -0.06 -0.04 7.15 7.07 1fp3A1 TYR 203 HE2 -0.04 -0.01 -0.08 -0.04 6.85 6.69 1fp3A1 ALA 204 H 0.05 0.45 -0.36 -0.55 8.40 8.00 1fp3A1 ALA 204 HA 0.13 0.07 0.40 -0.75 4.34 4.18 1fp3A1 ALA 204 HB3 0.05 0.03 0.12 -0.04 1.41 1.56 1fp3A1 GLN 205 H 0.07 0.24 -0.11 -0.55 8.47 8.13 1fp3A1 GLN 205 HA 0.11 0.06 0.39 -0.75 4.36 4.16 1fp3A1 GLN 205 HB2 0.06 0.04 0.06 -0.04 2.15 2.26 1fp3A1 GLN 205 HB3 0.06 0.01 0.01 -0.04 2.02 2.07 1fp3A1 GLN 205 HG2 0.02 -0.01 0.03 -0.04 2.40 2.41 1fp3A1 GLN 205 HG3 0.02 0.06 0.07 -0.04 2.39 2.49 1fp3A1 GLN 205 HE21 0.00 0.00 0.00 -0.04 6.97 6.94 1fp3A1 GLN 205 HE22 -0.00 -0.01 0.01 -0.04 7.69 7.65 1fp3A1 LEU 206 H 0.15 0.15 -0.39 -0.55 8.37 7.73 1fp3A1 LEU 206 HA 0.17 0.05 0.43 -0.75 4.35 4.24 1fp3A1 LEU 206 HB2 0.09 -0.01 0.07 -0.04 1.64 1.75 1fp3A1 LEU 206 HB3 0.12 0.15 0.09 -0.04 1.64 1.96 1fp3A1 LEU 206 HG 0.12 -0.04 -0.17 -0.04 1.64 1.51 1fp3A1 LEU 206 HD13 -0.10 -0.00 -0.00 -0.04 0.93 0.78 1fp3A1 LEU 206 HD23 -0.13 0.00 -0.05 -0.04 0.89 0.66 1fp3A1 GLY 207 H 0.18 0.69 -0.04 -0.55 8.43 8.72 1fp3A1 GLY 207 HA2 0.04 -0.03 0.37 -0.51 4.01 3.88 1fp3A1 GLY 207 HA3 0.22 0.11 0.31 -0.51 4.01 4.14 1fp3A1 HIS 208 H 0.30 0.48 -0.24 -0.55 8.41 8.40 1fp3A1 HIS 208 HA 0.16 0.02 0.42 -0.75 4.63 4.48 1fp3A1 HIS 208 HB2 0.14 0.04 0.08 -0.04 3.26 3.48 1fp3A1 HIS 208 HB3 0.14 0.10 0.14 -0.04 3.20 3.54 1fp3A1 HIS 208 HD2 0.09 0.01 -0.01 -0.04 6.97 7.01 1fp3A1 HIS 208 HE1 0.06 0.00 -0.06 -0.04 7.75 7.71 1fp3A1 TRP 209 H 0.41 0.54 -0.04 -0.55 7.97 8.34 1fp3A1 TRP 209 HA 0.04 0.00 0.36 -0.75 4.62 4.27 1fp3A1 TRP 209 HB2 0.08 0.04 0.14 -0.04 3.23 3.45 1fp3A1 TRP 209 HB3 0.03 0.09 0.19 -0.04 3.23 3.50 1fp3A1 TRP 209 HD1 0.04 -0.01 0.02 -0.04 7.22 7.23 1fp3A1 TRP 209 HE1 0.02 0.03 -0.01 -0.04 10.20 10.19 1fp3A1 TRP 209 HE3 -0.02 0.08 -0.11 -0.04 7.59 7.49 1fp3A1 TRP 209 HZ2 0.01 0.04 -0.03 -0.04 7.44 7.42 1fp3A1 TRP 209 HZ3 -0.03 -0.05 -0.08 -0.04 7.13 6.92 1fp3A1 TRP 209 HH2 0.00 -0.00 -0.08 -0.04 7.19 7.07 1fp3A1 CYS 210 H 0.24 0.70 -0.24 -0.55 8.50 8.66 1fp3A1 CYS 210 HA -0.38 -0.04 0.40 -0.75 4.58 3.81 1fp3A1 CYS 210 HB2 -0.04 0.17 0.14 -0.04 2.97 3.20 1fp3A1 CYS 210 HB3 -0.11 -0.02 -0.02 -0.04 2.97 2.78 1fp3A1 ALA 211 H -0.23 0.57 -0.09 -0.55 8.40 8.10 1fp3A1 ALA 211 HA -0.25 -0.02 0.40 -0.75 4.34 3.72 1fp3A1 ALA 211 HB3 -0.28 0.02 0.09 -0.04 1.41 1.20 1fp3A1 ARG 212 H -0.31 0.64 -0.19 -0.55 8.46 8.04 1fp3A1 ARG 212 HA -0.18 -0.00 0.40 -0.75 4.34 3.80 1fp3A1 ARG 212 HB2 -0.33 0.17 0.16 -0.04 1.90 1.86 1fp3A1 ARG 212 HB3 -0.21 -0.04 -0.04 -0.04 1.80 1.47 1fp3A1 ARG 212 HG2 -0.37 -0.06 -0.01 -0.04 1.67 1.19 1fp3A1 ARG 212 HG3 -0.69 0.01 -0.08 -0.04 1.67 0.87 1fp3A1 ARG 212 HD2 -0.08 -0.02 -0.01 -0.04 3.22 3.07 1fp3A1 ARG 212 HD3 0.00 -0.04 -0.03 -0.04 3.22 3.11 1fp3A1 ARG 213 H -0.51 0.50 -0.18 -0.55 8.46 7.73 1fp3A1 ARG 213 HA -0.28 0.06 0.45 -0.75 4.34 3.82 1fp3A1 ARG 213 HB2 -0.62 0.10 0.20 -0.04 1.90 1.54 1fp3A1 ARG 213 HB3 -0.35 -0.06 -0.02 -0.04 1.80 1.33 1fp3A1 ARG 213 HG2 -1.79 0.26 0.04 -0.04 1.67 0.14 1fp3A1 ARG 213 HG3 -1.93 -0.07 -0.02 -0.04 1.67 -0.39 1fp3A1 ARG 213 HD2 -0.34 -0.01 0.01 -0.04 3.22 2.83 1fp3A1 ARG 213 HD3 -0.52 -0.00 -0.03 -0.04 3.22 2.63 1fp3A1 ILE 214 H -0.21 0.59 -0.06 -0.55 8.25 8.02 1fp3A1 ILE 214 HA -0.04 -0.02 0.32 -0.75 4.18 3.69 1fp3A1 ILE 214 HB -0.19 0.15 0.07 -0.04 1.89 1.88 1fp3A1 ILE 214 HG12 -0.17 -0.10 -0.02 -0.04 1.49 1.17 1fp3A1 ILE 214 HG13 -0.20 0.45 0.04 -0.04 1.21 1.46 1fp3A1 ILE 214 HG23 -0.18 -0.02 -0.11 -0.04 0.93 0.57 1fp3A1 ILE 214 HD13 -0.17 -0.03 -0.18 -0.04 0.88 0.46 1fp3A1 LEU 215 H -0.05 0.40 -0.52 -0.55 8.37 7.65 1fp3A1 LEU 215 HA 0.33 0.00 0.41 -0.75 4.35 4.34 1fp3A1 LEU 215 HB2 -0.01 0.19 0.10 -0.04 1.64 1.88 1fp3A1 LEU 215 HB3 0.11 -0.07 0.04 -0.04 1.64 1.67 1fp3A1 LEU 215 HG -0.05 0.32 0.01 -0.04 1.64 1.87 1fp3A1 LEU 215 HD13 0.04 -0.04 -0.05 -0.04 0.93 0.84 1fp3A1 LEU 215 HD23 0.11 -0.04 -0.09 -0.04 0.89 0.83 1fp3A1 GLN 216 H 0.03 0.43 -0.39 -0.55 8.47 7.99 1fp3A1 GLN 216 HA 0.00 0.05 0.49 -0.75 4.36 4.15 1fp3A1 GLN 216 HB2 -0.07 0.17 0.14 -0.04 2.15 2.36 1fp3A1 GLN 216 HB3 -0.09 -0.11 0.13 -0.04 2.02 1.91 1fp3A1 GLN 216 HG2 -0.05 -0.06 0.03 -0.04 2.40 2.29 1fp3A1 GLN 216 HG3 -0.11 0.24 0.12 -0.04 2.39 2.60 1fp3A1 GLN 216 HE21 -0.02 -0.00 -0.06 -0.04 6.97 6.84 1fp3A1 GLN 216 HE22 -0.03 -0.03 -0.01 -0.04 7.69 7.58 1fp3A1 HIS 217 H 0.25 0.35 -0.63 -0.55 8.41 7.84 1fp3A1 HIS 217 HA 0.01 0.09 0.52 -0.75 4.63 4.50 1fp3A1 HIS 217 HB2 0.09 0.17 0.04 -0.04 3.26 3.52 1fp3A1 HIS 217 HB3 0.03 -0.05 0.11 -0.04 3.20 3.25 1fp3A1 HIS 217 HD2 -0.02 0.31 -0.10 -0.04 6.97 7.10 1fp3A1 HIS 217 HE1 0.05 0.14 -0.11 -0.04 7.75 7.78 1fp3A1 VAL 218 H 0.08 0.44 -0.41 -0.55 8.24 7.81 1fp3A1 VAL 218 HA -0.09 0.10 0.72 -0.75 4.13 4.11 1fp3A1 VAL 218 HB 0.10 0.23 0.21 -0.04 2.12 2.62 1fp3A1 VAL 218 HG13 0.03 -0.05 -0.12 -0.04 0.97 0.80 1fp3A1 VAL 218 HG23 -0.19 -0.01 -0.06 -0.04 0.95 0.65 1fp3A1 GLN 219 H -0.03 1.02 0.38 -0.55 8.47 9.29 1fp3A1 GLN 219 HA -0.01 0.18 0.91 -0.75 4.36 4.68 1fp3A1 GLN 219 HB2 -0.02 0.06 -0.03 -0.04 2.15 2.13 1fp3A1 GLN 219 HB3 -0.02 -0.20 0.14 -0.04 2.02 1.90 1fp3A1 GLN 219 HG2 -0.02 0.07 -0.56 -0.04 2.40 1.85 1fp3A1 GLN 219 HG3 -0.03 -0.04 -0.08 -0.04 2.39 2.20 1fp3A1 GLN 219 HE21 -0.05 0.27 0.03 -0.04 6.97 7.19 1fp3A1 GLN 219 HE22 -0.08 0.20 -0.11 -0.04 7.69 7.67 1fp3A1 ARG 220 H -0.01 0.15 0.15 -0.55 8.46 8.20 1fp3A1 ARG 220 HA -0.01 0.04 0.35 -0.75 4.34 3.97 1fp3A1 ARG 220 HB2 -0.01 0.11 -0.34 -0.04 1.90 1.62 1fp3A1 ARG 220 HB3 -0.01 0.06 0.16 -0.04 1.80 1.97 1fp3A1 ARG 220 HG2 -0.01 0.05 -0.03 -0.04 1.67 1.64 1fp3A1 ARG 220 HG3 -0.01 -0.03 0.03 -0.04 1.67 1.62 1fp3A1 ARG 220 HD2 -0.01 -0.06 -0.18 -0.04 3.22 2.92 1fp3A1 ARG 220 HD3 -0.02 0.07 -0.16 -0.04 3.22 3.07 1fp3A1 ASP 221 H 0.00 0.09 -0.01 -0.55 8.40 7.93 1fp3A1 ASP 221 HA 0.01 0.03 0.26 -0.75 4.63 4.18 1fp3A1 ASP 221 HB2 0.01 0.11 -0.24 -0.04 2.71 2.54 1fp3A1 ASP 221 HB3 0.01 0.04 0.17 -0.04 2.70 2.88 1fp3A1 GLY 222 H 0.01 0.04 -0.55 -0.55 8.43 7.39 1fp3A1 GLY 222 HA2 0.01 -0.00 0.15 -0.51 4.01 3.66 1fp3A1 GLY 222 HA3 0.05 0.03 0.34 -0.51 4.01 3.92 1fp3A1 GLN 223 H -0.01 0.44 -0.28 -0.55 8.47 8.07 1fp3A1 GLN 223 HA -0.02 0.14 0.89 -0.75 4.36 4.62 1fp3A1 GLN 223 HB2 -0.01 0.03 0.10 -0.04 2.15 2.23 1fp3A1 GLN 223 HB3 -0.00 -0.10 0.15 -0.04 2.02 2.03 1fp3A1 GLN 223 HG2 0.00 0.20 -0.20 -0.04 2.40 2.36 1fp3A1 GLN 223 HG3 0.00 -0.12 -0.01 -0.04 2.39 2.23 1fp3A1 GLN 223 HE21 0.01 -0.07 -0.02 -0.04 6.97 6.84 1fp3A1 GLN 223 HE22 0.01 0.02 -0.03 -0.04 7.69 7.65 1fp3A1 ALA 224 H -0.04 0.37 0.01 -0.55 8.40 8.19 1fp3A1 ALA 224 HA -0.04 0.09 0.56 -0.75 4.34 4.20 1fp3A1 ALA 224 HB3 -0.02 0.01 -0.18 -0.04 1.41 1.18 1fp3A1 VAL 225 H -0.06 0.19 0.09 -0.55 8.24 7.90 1fp3A1 VAL 225 HA -0.10 0.32 0.86 -0.75 4.13 4.45 1fp3A1 VAL 225 HB -0.10 -0.09 0.15 -0.04 2.12 2.04 1fp3A1 VAL 225 HG13 -0.02 -0.02 -0.18 -0.04 0.97 0.71 1fp3A1 VAL 225 HG23 -0.51 0.01 -0.07 -0.04 0.95 0.34 1fp3A1 LEU 226 H 0.05 0.78 0.24 -0.55 8.37 8.90 1fp3A1 LEU 226 HA 0.04 0.15 0.96 -0.75 4.35 4.75 1fp3A1 LEU 226 HB2 0.03 0.03 0.10 -0.04 1.64 1.76 1fp3A1 LEU 226 HB3 0.06 0.11 0.01 -0.04 1.64 1.78 1fp3A1 LEU 226 HG 0.02 0.42 0.15 -0.04 1.64 2.19 1fp3A1 LEU 226 HD13 -0.00 -0.04 -0.28 -0.04 0.93 0.57 1fp3A1 LEU 226 HD23 -0.01 -0.05 -0.03 -0.04 0.89 0.76 1fp3A1 GLU 227 H 0.08 0.52 0.30 -0.55 8.60 8.95 1fp3A1 GLU 227 HA 0.15 -0.06 0.37 -0.75 4.29 4.00 1fp3A1 GLU 227 HB2 0.17 0.21 0.03 -0.04 2.09 2.46 1fp3A1 GLU 227 HB3 0.24 -0.08 -0.04 -0.04 1.99 2.07 1fp3A1 GLU 227 HG2 0.05 -0.06 -0.03 -0.04 2.34 2.26 1fp3A1 GLU 227 HG3 0.19 -0.02 -0.10 -0.04 2.34 2.37 1fp3A1 ASN 228 H 0.15 0.23 -0.13 -0.55 8.53 8.23 1fp3A1 ASN 228 HA 0.23 0.42 1.18 -0.75 4.76 5.83 1fp3A1 ASN 228 HB2 0.07 0.02 -0.09 -0.04 2.88 2.83 1fp3A1 ASN 228 HB3 0.08 -0.02 -0.11 -0.04 2.79 2.70 1fp3A1 ASN 228 HD21 0.10 -0.11 -0.04 -0.04 7.03 6.94 1fp3A1 ASN 228 HD22 0.11 0.43 0.10 -0.04 7.74 8.34 1fp3A1 VAL 229 H -0.00 0.49 0.27 -0.55 8.24 8.45 1fp3A1 VAL 229 HA -0.06 0.06 0.72 -0.75 4.13 4.10 1fp3A1 VAL 229 HB -0.17 -0.04 -0.14 -0.04 2.12 1.73 1fp3A1 VAL 229 HG13 -0.16 0.02 -0.32 -0.04 0.97 0.47 1fp3A1 VAL 229 HG23 -0.64 0.04 -0.22 -0.04 0.95 0.08 1fp3A1 SER 230 H -0.05 0.72 0.27 -0.55 8.46 8.86 1fp3A1 SER 230 HA -0.01 0.26 0.62 -0.75 4.49 4.60 1fp3A1 SER 230 HB2 -0.01 0.07 0.18 -0.04 3.95 4.15 1fp3A1 SER 230 HB3 -0.02 0.19 0.16 -0.04 3.93 4.22 1fp3A1 GLU 231 H 0.01 0.34 0.20 -0.55 8.60 8.60 1fp3A1 GLU 231 HA 0.03 0.09 0.34 -0.75 4.29 3.99 1fp3A1 GLU 231 HB2 0.03 -0.03 0.08 -0.04 2.09 2.13 1fp3A1 GLU 231 HB3 0.06 0.06 0.04 -0.04 1.99 2.11 1fp3A1 GLU 231 HG2 0.04 -0.03 -0.16 -0.04 2.34 2.15 1fp3A1 GLU 231 HG3 0.04 0.02 -0.02 -0.04 2.34 2.34 1fp3A1 ASP 232 H -0.00 -0.07 -0.62 -0.55 8.40 7.16 1fp3A1 ASP 232 HA 0.02 0.23 0.76 -0.75 4.63 4.88 1fp3A1 ASP 232 HB2 0.00 -0.08 0.01 -0.04 2.71 2.59 1fp3A1 ASP 232 HB3 0.00 0.04 0.09 -0.04 2.70 2.79 1fp3A1 GLY 233 H -0.05 0.80 -0.22 -0.55 8.43 8.41 1fp3A1 GLY 233 HA2 -0.12 0.09 0.23 -0.51 4.01 3.70 1fp3A1 GLY 233 HA3 -0.06 0.10 0.54 -0.51 4.01 4.09 1fp3A1 GLU 234 H -0.04 -0.03 0.03 -0.55 8.60 8.01 1fp3A1 GLU 234 HA -0.03 0.24 0.98 -0.75 4.29 4.72 1fp3A1 GLU 234 HB2 -0.02 -0.08 0.00 -0.04 2.09 1.95 1fp3A1 GLU 234 HB3 -0.02 0.03 0.06 -0.04 1.99 2.02 1fp3A1 GLU 234 HG2 -0.01 0.10 -0.15 -0.04 2.34 2.24 1fp3A1 GLU 234 HG3 -0.02 -0.05 -0.39 -0.04 2.34 1.84 1fp3A1 GLU 235 H -0.03 0.11 0.17 -0.55 8.60 8.31 1fp3A1 GLU 235 HA -0.03 0.11 0.50 -0.75 4.29 4.11 1fp3A1 GLU 235 HB2 -0.02 0.01 0.14 -0.04 2.09 2.18 1fp3A1 GLU 235 HB3 -0.02 -0.07 0.17 -0.04 1.99 2.03 1fp3A1 GLU 235 HG2 -0.01 -0.09 -0.27 -0.04 2.34 1.93 1fp3A1 GLU 235 HG3 -0.01 0.20 0.02 -0.04 2.34 2.51 1fp3A1 LEU 236 H -0.01 0.24 0.28 -0.55 8.37 8.34 1fp3A1 LEU 236 HA -0.01 0.13 0.73 -0.75 4.35 4.45 1fp3A1 LEU 236 HB2 0.00 0.02 0.02 -0.04 1.64 1.64 1fp3A1 LEU 236 HB3 -0.00 -0.04 0.08 -0.04 1.64 1.64 1fp3A1 LEU 236 HG -0.01 -0.01 -0.06 -0.04 1.64 1.51 1fp3A1 LEU 236 HD13 0.01 0.02 -0.35 -0.04 0.93 0.57 1fp3A1 LEU 236 HD23 -0.01 0.01 -0.07 -0.04 0.89 0.78 1fp3A1 SER 237 H -0.01 0.12 0.16 -0.55 8.46 8.18 1fp3A1 SER 237 HA -0.01 0.26 0.84 -0.75 4.49 4.82 1fp3A1 SER 237 HB2 -0.01 -0.08 0.13 -0.04 3.95 3.95 1fp3A1 SER 237 HB3 -0.01 0.09 0.00 -0.04 3.93 3.97 1fp3A1 GLY 238 H -0.02 0.16 0.12 -0.55 8.43 8.15 1fp3A1 GLY 238 HA2 -0.02 0.10 0.35 -0.51 4.01 3.92 1fp3A1 GLY 238 HA3 -0.02 0.10 0.52 -0.51 4.01 4.10 1fp3A1 CYS 239 H -0.04 0.19 0.16 -0.55 8.50 8.26 1fp3A1 CYS 239 HA -0.04 0.09 0.37 -0.75 4.58 4.25 1fp3A1 CYS 239 HB2 -0.06 -0.01 0.14 -0.04 2.97 3.00 1fp3A1 CYS 239 HB3 -0.07 0.01 0.02 -0.04 2.97 2.88 1fp3A1 LEU 240 H -0.04 0.06 -0.16 -0.55 8.37 7.68 1fp3A1 LEU 240 HA -0.05 0.04 0.34 -0.75 4.35 3.93 1fp3A1 LEU 240 HB2 -0.03 -0.05 0.10 -0.04 1.64 1.61 1fp3A1 LEU 240 HB3 -0.01 0.09 0.05 -0.04 1.64 1.73 1fp3A1 LEU 240 HG 0.00 0.02 -0.13 -0.04 1.64 1.50 1fp3A1 LEU 240 HD13 -0.04 -0.00 -0.01 -0.04 0.93 0.84 1fp3A1 LEU 240 HD23 -0.00 0.01 -0.07 -0.04 0.89 0.78 1fp3A1 GLY 241 H -0.00 0.33 -0.43 -0.55 8.43 7.78 1fp3A1 GLY 241 HA2 0.02 0.12 0.38 -0.51 4.01 4.02 1fp3A1 GLY 241 HA3 0.00 0.08 -0.09 -0.51 4.01 3.49 1fp3A1 ARG 242 H 0.01 0.31 -0.38 -0.55 8.46 7.85 1fp3A1 ARG 242 HA -0.00 0.16 0.64 -0.75 4.34 4.39 1fp3A1 ARG 242 HB2 -0.02 0.06 0.04 -0.04 1.90 1.94 1fp3A1 ARG 242 HB3 -0.03 -0.30 0.17 -0.04 1.80 1.59 1fp3A1 ARG 242 HG2 -0.02 0.06 -0.08 -0.04 1.67 1.60 1fp3A1 ARG 242 HG3 -0.02 0.28 -0.05 -0.04 1.67 1.85 1fp3A1 ARG 242 HD2 -0.03 -0.13 -0.02 -0.04 3.22 3.00 1fp3A1 ARG 242 HD3 -0.03 0.01 -0.04 -0.04 3.22 3.12 1fp3A1 HIS 243 H 0.10 0.29 -0.33 -0.55 8.41 7.93 1fp3A1 HIS 243 HA -0.05 0.06 0.60 -0.75 4.63 4.49 1fp3A1 HIS 243 HB2 -0.07 0.09 0.18 -0.04 3.26 3.43 1fp3A1 HIS 243 HB3 -0.02 0.00 0.16 -0.04 3.20 3.30 1fp3A1 HIS 243 HD2 -0.17 -0.03 0.11 -0.04 6.97 6.84 1fp3A1 HIS 243 HE1 -0.28 -0.04 -0.04 -0.04 7.75 7.34 1fp3A1 GLN 244 H -0.37 0.48 0.50 -0.55 8.47 8.53 1fp3A1 GLN 244 HA -0.10 0.07 1.01 -0.75 4.36 4.59 1fp3A1 GLN 244 HB2 -0.06 -0.06 -0.08 -0.04 2.15 1.91 1fp3A1 GLN 244 HB3 -0.03 -0.01 -0.00 -0.04 2.02 1.93 1fp3A1 GLN 244 HG2 -0.02 0.18 -0.03 -0.04 2.40 2.49 1fp3A1 GLN 244 HG3 -0.04 0.09 -0.29 -0.04 2.39 2.11 1fp3A1 GLN 244 HE21 -0.02 -0.00 0.01 -0.04 6.97 6.92 1fp3A1 GLN 244 HE22 -0.02 0.34 -0.07 -0.04 7.69 7.90 1fp3A1 ASN 245 H 0.00 0.26 0.05 -0.55 8.53 8.30 1fp3A1 ASN 245 HA 0.03 0.39 0.85 -0.75 4.76 5.28 1fp3A1 ASN 245 HB2 0.13 0.06 -0.07 -0.04 2.88 2.96 1fp3A1 ASN 245 HB3 0.16 -0.08 0.15 -0.04 2.79 2.98 1fp3A1 ASN 245 HD21 0.33 -0.04 0.03 -0.04 7.03 7.31 1fp3A1 ASN 245 HD22 0.34 -0.02 0.03 -0.04 7.74 8.04 1fp3A1 PRO 246 HA 0.04 0.07 0.39 -0.51 4.44 4.43 1fp3A1 PRO 246 HB2 -0.04 0.04 -0.01 -0.04 2.28 2.23 1fp3A1 PRO 246 HB3 0.03 0.11 -0.00 -0.04 2.02 2.12 1fp3A1 PRO 246 HG2 0.06 0.19 -0.01 -0.04 2.03 2.23 1fp3A1 PRO 246 HG3 0.06 0.04 -0.05 -0.04 2.03 2.04 1fp3A1 PRO 246 HD2 -0.01 0.35 0.03 -0.04 3.68 4.01 1fp3A1 PRO 246 HD3 0.04 0.10 -0.17 -0.04 3.65 3.58 1fp3A1 GLY 247 H -0.14 0.32 -0.06 -0.55 8.43 8.00 1fp3A1 GLY 247 HA2 -0.12 0.13 0.40 -0.51 4.01 3.91 1fp3A1 GLY 247 HA3 -0.46 0.01 0.32 -0.51 4.01 3.37 1fp3A1 HIS 248 H 0.26 0.20 -0.46 -0.55 8.41 7.87 1fp3A1 HIS 248 HA 0.24 0.03 0.50 -0.75 4.63 4.65 1fp3A1 HIS 248 HB2 0.23 0.01 0.11 -0.04 3.26 3.57 1fp3A1 HIS 248 HB3 0.10 0.07 -0.07 -0.04 3.20 3.27 1fp3A1 HIS 248 HD2 0.06 0.01 -0.06 -0.04 6.97 6.94 1fp3A1 HIS 248 HE1 0.03 -0.10 0.00 -0.04 7.75 7.64 1fp3A1 ALA 249 H 0.14 0.42 0.00 -0.55 8.40 8.42 1fp3A1 ALA 249 HA 0.15 0.02 0.44 -0.75 4.34 4.20 1fp3A1 ALA 249 HB3 0.05 0.04 0.13 -0.04 1.41 1.60 1fp3A1 LEU 250 H 0.07 0.48 -0.14 -0.55 8.37 8.24 1fp3A1 LEU 250 HA 0.04 0.24 0.45 -0.75 4.35 4.33 1fp3A1 LEU 250 HB2 0.02 0.05 0.05 -0.04 1.64 1.73 1fp3A1 LEU 250 HB3 -0.06 -0.04 -0.11 -0.04 1.64 1.39 1fp3A1 LEU 250 HG 0.05 0.05 0.03 -0.04 1.64 1.73 1fp3A1 LEU 250 HD13 0.05 -0.04 -0.08 -0.04 0.93 0.82 1fp3A1 LEU 250 HD23 -0.17 0.05 0.11 -0.04 0.89 0.84 1fp3A1 GLU 251 H 0.02 0.38 -0.21 -0.55 8.60 8.24 1fp3A1 GLU 251 HA -0.27 0.02 0.40 -0.75 4.29 3.69 1fp3A1 GLU 251 HB2 0.02 0.02 0.12 -0.04 2.09 2.21 1fp3A1 GLU 251 HB3 -0.21 0.09 0.16 -0.04 1.99 1.99 1fp3A1 GLU 251 HG2 -1.30 0.00 -0.24 -0.04 2.34 0.77 1fp3A1 GLU 251 HG3 -1.13 -0.02 -0.01 -0.04 2.34 1.14 1fp3A1 ALA 252 H -0.25 0.66 -0.12 -0.55 8.40 8.13 1fp3A1 ALA 252 HA -0.41 -0.04 0.35 -0.75 4.34 3.48 1fp3A1 ALA 252 HB3 -0.16 0.03 0.06 -0.04 1.41 1.30 1fp3A1 GLY 253 H -0.08 0.56 -0.38 -0.55 8.43 7.99 1fp3A1 GLY 253 HA2 -0.30 -0.02 0.30 -0.51 4.01 3.48 1fp3A1 GLY 253 HA3 0.03 0.14 0.23 -0.51 4.01 3.90 1fp3A1 TRP 254 H 0.03 0.58 -0.07 -0.55 7.97 7.96 1fp3A1 TRP 254 HA -0.02 0.03 0.47 -0.75 4.62 4.35 1fp3A1 TRP 254 HB2 -0.00 -0.03 -0.01 -0.04 3.23 3.15 1fp3A1 TRP 254 HB3 -0.08 0.00 0.09 -0.04 3.23 3.20 1fp3A1 TRP 254 HD1 -0.14 0.09 0.00 -0.04 7.22 7.13 1fp3A1 TRP 254 HE1 -0.11 -0.08 -0.00 -0.04 10.20 9.96 1fp3A1 TRP 254 HE3 0.17 -0.06 -0.35 -0.04 7.59 7.31 1fp3A1 TRP 254 HZ2 0.15 -0.05 -0.09 -0.04 7.44 7.41 1fp3A1 TRP 254 HZ3 0.21 0.02 -0.09 -0.04 7.13 7.22 1fp3A1 TRP 254 HH2 0.27 0.00 -0.09 -0.04 7.19 7.34 1fp3A1 PHE 255 H -0.50 0.52 -0.32 -0.55 8.34 7.49 1fp3A1 PHE 255 HA -0.47 0.02 0.37 -0.75 4.62 3.78 1fp3A1 PHE 255 HB2 -0.47 0.15 0.18 -0.04 3.15 2.97 1fp3A1 PHE 255 HB3 -0.36 -0.04 -0.07 -0.04 3.06 2.55 1fp3A1 PHE 255 HD2 -1.30 -0.03 -0.09 -0.04 7.28 5.82 1fp3A1 PHE 255 HE2 -0.73 -0.05 -0.15 -0.04 7.38 6.41 1fp3A1 PHE 255 HZ -0.26 -0.06 -0.09 -0.04 7.32 6.86 1fp3A1 LEU 256 H -0.11 0.71 -0.14 -0.55 8.37 8.29 1fp3A1 LEU 256 HA -0.03 -0.01 0.37 -0.75 4.35 3.93 1fp3A1 LEU 256 HB2 -0.24 0.20 0.13 -0.04 1.64 1.69 1fp3A1 LEU 256 HB3 -0.13 -0.09 -0.06 -0.04 1.64 1.32 1fp3A1 LEU 256 HG -0.25 -0.03 -0.01 -0.04 1.64 1.32 1fp3A1 LEU 256 HD13 -0.75 -0.00 -0.18 -0.04 0.93 -0.05 1fp3A1 LEU 256 HD23 -0.18 -0.01 0.01 -0.04 0.89 0.66 1fp3A1 LEU 257 H 0.09 0.44 -0.26 -0.55 8.37 8.10 1fp3A1 LEU 257 HA 0.08 -0.02 0.34 -0.75 4.35 4.00 1fp3A1 LEU 257 HB2 0.18 0.05 0.14 -0.04 1.64 1.97 1fp3A1 LEU 257 HB3 0.15 0.02 -0.13 -0.04 1.64 1.63 1fp3A1 LEU 257 HG 0.08 -0.01 -0.09 -0.04 1.64 1.58 1fp3A1 LEU 257 HD13 0.06 0.01 -0.06 -0.04 0.93 0.91 1fp3A1 LEU 257 HD23 0.10 -0.02 -0.13 -0.04 0.89 0.81 1fp3A1 ARG 258 H 0.26 0.57 -0.28 -0.55 8.46 8.46 1fp3A1 ARG 258 HA 0.16 -0.01 0.36 -0.75 4.34 4.10 1fp3A1 ARG 258 HB2 0.48 0.13 0.14 -0.04 1.90 2.61 1fp3A1 ARG 258 HB3 0.24 0.11 0.07 -0.04 1.80 2.17 1fp3A1 ARG 258 HG2 0.17 -0.03 0.01 -0.04 1.67 1.77 1fp3A1 ARG 258 HG3 0.27 -0.03 -0.01 -0.04 1.67 1.86 1fp3A1 ARG 258 HD2 0.26 0.02 -0.04 -0.04 3.22 3.41 1fp3A1 ARG 258 HD3 0.17 -0.01 -0.09 -0.04 3.22 3.25 1fp3A1 HIS 259 H 0.20 0.43 -0.28 -0.55 8.41 8.21 1fp3A1 HIS 259 HA 0.04 0.03 0.40 -0.75 4.63 4.34 1fp3A1 HIS 259 HB2 -0.01 0.07 0.08 -0.04 3.26 3.37 1fp3A1 HIS 259 HB3 -0.00 0.10 0.11 -0.04 3.20 3.37 1fp3A1 HIS 259 HD2 -0.00 -0.01 -0.12 -0.04 6.97 6.79 1fp3A1 HIS 259 HE1 0.06 -0.08 -0.14 -0.04 7.75 7.54 1fp3A1 SER 260 H 0.11 0.55 -0.16 -0.55 8.46 8.41 1fp3A1 SER 260 HA -0.03 0.05 0.60 -0.75 4.49 4.36 1fp3A1 SER 260 HB2 0.04 -0.11 0.06 -0.04 3.95 3.90 1fp3A1 SER 260 HB3 0.07 0.13 0.05 -0.04 3.93 4.15 1fp3A1 SER 261 H 0.05 0.57 -0.17 -0.55 8.46 8.36 1fp3A1 SER 261 HA 0.02 -0.00 0.31 -0.75 4.49 4.07 1fp3A1 SER 261 HB2 0.03 -0.02 0.01 -0.04 3.95 3.92 1fp3A1 SER 261 HB3 0.06 0.15 0.10 -0.04 3.93 4.20 1fp3A1 ARG 262 H 0.00 0.28 -0.26 -0.55 8.46 7.93 1fp3A1 ARG 262 HA 0.00 0.06 0.42 -0.75 4.34 4.07 1fp3A1 ARG 262 HB2 -0.01 -0.03 -0.02 -0.04 1.90 1.80 1fp3A1 ARG 262 HB3 0.00 -0.00 0.07 -0.04 1.80 1.83 1fp3A1 ARG 262 HG2 -0.06 -0.14 0.01 -0.04 1.67 1.44 1fp3A1 ARG 262 HG3 -0.07 -0.05 -0.00 -0.04 1.67 1.50 1fp3A1 ARG 262 HD2 0.02 -0.09 0.05 -0.04 3.22 3.16 1fp3A1 ARG 262 HD3 -0.01 0.26 0.13 -0.04 3.22 3.56 1fp3A1 SER 263 H -0.03 0.15 -0.37 -0.55 8.46 7.66 1fp3A1 SER 263 HA -0.02 0.05 0.39 -0.75 4.49 4.16 1fp3A1 SER 263 HB2 -0.01 0.03 0.16 -0.04 3.95 4.09 1fp3A1 SER 263 HB3 -0.01 -0.08 0.17 -0.04 3.93 3.98 1fp3A1 GLY 264 H 0.00 0.38 -0.94 -0.55 8.43 7.33 1fp3A1 GLY 264 HA2 0.01 0.07 0.25 -0.51 4.01 3.83 1fp3A1 GLY 264 HA3 0.00 -0.01 0.32 -0.51 4.01 3.81 1fp3A1 ASP 265 H 0.01 0.21 -0.76 -0.55 8.40 7.32 1fp3A1 ASP 265 HA 0.02 0.12 0.85 -0.75 4.63 4.86 1fp3A1 ASP 265 HB2 0.02 0.21 0.09 -0.04 2.71 2.99 1fp3A1 ASP 265 HB3 0.03 0.02 0.13 -0.04 2.70 2.84 1fp3A1 ALA 266 H 0.02 0.38 0.06 -0.55 8.40 8.31 1fp3A1 ALA 266 HA 0.03 0.11 0.34 -0.75 4.34 4.06 1fp3A1 ALA 266 HB3 0.02 0.04 0.06 -0.04 1.41 1.49 1fp3A1 LYS 267 H 0.03 0.08 -0.32 -0.55 8.42 7.65 1fp3A1 LYS 267 HA 0.04 0.13 0.47 -0.75 4.32 4.21 1fp3A1 LYS 267 HB2 0.03 0.02 0.09 -0.04 1.87 1.96 1fp3A1 LYS 267 HB3 0.03 -0.00 0.03 -0.04 1.79 1.81 1fp3A1 LYS 267 HG2 0.02 0.01 -0.05 -0.04 1.46 1.40 1fp3A1 LYS 267 HG3 0.03 0.01 0.03 -0.04 1.46 1.49 1fp3A1 LYS 267 HD2 0.02 0.00 0.01 -0.04 1.69 1.68 1fp3A1 LYS 267 HD3 0.01 0.02 -0.03 -0.04 1.68 1.64 1fp3A1 LYS 267 HE2 0.01 0.01 -0.01 -0.04 2.99 2.96 1fp3A1 LYS 267 HE3 0.01 -0.00 -0.00 -0.04 2.99 2.96 1fp3A1 LEU 268 H 0.05 0.12 -0.11 -0.55 8.37 7.88 1fp3A1 LEU 268 HA 0.09 0.07 0.36 -0.75 4.35 4.12 1fp3A1 LEU 268 HB2 0.06 0.01 0.07 -0.04 1.64 1.73 1fp3A1 LEU 268 HB3 0.06 0.08 0.12 -0.04 1.64 1.86 1fp3A1 LEU 268 HG 0.07 -0.00 -0.40 -0.04 1.64 1.27 1fp3A1 LEU 268 HD13 0.08 -0.00 -0.04 -0.04 0.93 0.93 1fp3A1 LEU 268 HD23 0.07 0.01 -0.06 -0.04 0.89 0.87 1fp3A1 ARG 269 H 0.06 0.53 -0.12 -0.55 8.46 8.37 1fp3A1 ARG 269 HA 0.06 0.01 0.24 -0.75 4.34 3.90 1fp3A1 ARG 269 HB2 0.04 0.03 -0.04 -0.04 1.90 1.89 1fp3A1 ARG 269 HB3 0.04 0.01 0.03 -0.04 1.80 1.84 1fp3A1 ARG 269 HG2 0.04 0.03 -0.29 -0.04 1.67 1.41 1fp3A1 ARG 269 HG3 0.05 -0.09 -0.16 -0.04 1.67 1.43 1fp3A1 ARG 269 HD2 0.03 -0.05 -0.19 -0.04 3.22 2.97 1fp3A1 ARG 269 HD3 0.03 0.01 -0.13 -0.04 3.22 3.09 1fp3A1 ALA 270 H 0.07 0.41 -0.51 -0.55 8.40 7.82 1fp3A1 ALA 270 HA 0.06 -0.01 0.42 -0.75 4.34 4.06 1fp3A1 ALA 270 HB3 0.07 0.05 0.15 -0.04 1.41 1.64 1fp3A1 HIS 271 H 0.18 0.55 0.03 -0.55 8.41 8.63 1fp3A1 HIS 271 HA 0.07 -0.03 0.38 -0.75 4.63 4.29 1fp3A1 HIS 271 HB2 0.05 0.01 0.14 -0.04 3.26 3.43 1fp3A1 HIS 271 HB3 0.07 0.11 0.14 -0.04 3.20 3.47 1fp3A1 HIS 271 HD2 0.04 -0.01 0.05 -0.04 6.97 7.00 1fp3A1 HIS 271 HE1 0.11 0.06 -0.02 -0.04 7.75 7.85 1fp3A1 VAL 272 H 0.13 0.62 -0.32 -0.55 8.24 8.12 1fp3A1 VAL 272 HA 0.24 0.01 0.38 -0.75 4.13 4.01 1fp3A1 VAL 272 HB 0.07 0.13 0.03 -0.04 2.12 2.31 1fp3A1 VAL 272 HG13 -0.01 -0.01 -0.19 -0.04 0.97 0.72 1fp3A1 VAL 272 HG23 -0.00 0.01 -0.12 -0.04 0.95 0.80 1fp3A1 ILE 273 H 0.08 0.63 -0.06 -0.55 8.25 8.35 1fp3A1 ILE 273 HA 0.11 -0.03 0.40 -0.75 4.18 3.90 1fp3A1 ILE 273 HB 0.07 0.20 0.24 -0.04 1.89 2.35 1fp3A1 ILE 273 HG12 0.09 -0.10 0.05 -0.04 1.49 1.49 1fp3A1 ILE 273 HG13 0.08 -0.02 0.06 -0.04 1.21 1.29 1fp3A1 ILE 273 HG23 0.08 -0.04 -0.11 -0.04 0.93 0.82 1fp3A1 ILE 273 HD13 0.06 0.04 -0.06 -0.04 0.88 0.88 1fp3A1 ASP 274 H 0.03 0.56 -0.17 -0.55 8.40 8.27 1fp3A1 ASP 274 HA 0.03 -0.03 0.44 -0.75 4.63 4.32 1fp3A1 ASP 274 HB2 -0.04 0.11 0.20 -0.04 2.71 2.95 1fp3A1 ASP 274 HB3 -0.01 0.02 0.02 -0.04 2.70 2.70 1fp3A1 THR 275 H -0.17 0.60 0.08 -0.55 8.28 8.25 1fp3A1 THR 275 HA -0.13 0.09 0.56 -0.75 4.39 4.16 1fp3A1 THR 275 HB -0.30 -0.02 0.04 -0.04 4.32 4.00 1fp3A1 THR 275 HG23 -0.47 0.10 0.11 -0.04 1.22 0.92 1fp3A1 PHE 276 H 0.15 0.71 -0.06 -0.55 8.34 8.58 1fp3A1 PHE 276 HA -0.01 0.15 0.92 -0.75 4.62 4.93 1fp3A1 PHE 276 HB2 -0.02 0.18 0.09 -0.04 3.15 3.35 1fp3A1 PHE 276 HB3 -0.03 -0.03 0.04 -0.04 3.06 3.01 1fp3A1 PHE 276 HD2 -0.07 0.05 0.02 -0.04 7.28 7.24 1fp3A1 PHE 276 HE2 -0.02 -0.02 -0.10 -0.04 7.38 7.21 1fp3A1 PHE 276 HZ 0.01 0.17 -0.14 -0.04 7.32 7.31 1fp3A1 LEU 277 H 0.12 0.28 -0.12 -0.55 8.37 8.11 1fp3A1 LEU 277 HA 0.08 0.14 0.94 -0.75 4.35 4.76 1fp3A1 LEU 277 HB2 0.15 0.17 0.29 -0.04 1.64 2.20 1fp3A1 LEU 277 HB3 0.31 -0.06 -0.00 -0.04 1.64 1.85 1fp3A1 LEU 277 HG -0.12 -0.04 -0.09 -0.04 1.64 1.35 1fp3A1 LEU 277 HD13 0.10 -0.02 -0.31 -0.04 0.93 0.66 1fp3A1 LEU 277 HD23 0.17 0.05 -0.06 -0.04 0.89 1.01 1fp3A1 LEU 278 H 0.13 0.67 0.26 -0.55 8.37 8.88 1fp3A1 LEU 278 HA 0.18 -0.01 0.43 -0.75 4.35 4.21 1fp3A1 LEU 278 HB2 0.06 0.17 0.25 -0.04 1.64 2.08 1fp3A1 LEU 278 HB3 0.06 -0.04 0.02 -0.04 1.64 1.64 1fp3A1 LEU 278 HG 0.09 0.10 0.06 -0.04 1.64 1.85 1fp3A1 LEU 278 HD13 0.03 -0.02 -0.03 -0.04 0.93 0.86 1fp3A1 LEU 278 HD23 -0.02 -0.03 -0.06 -0.04 0.89 0.74 1fp3A1 LEU 279 H 0.05 0.63 0.06 -0.55 8.37 8.57 1fp3A1 LEU 279 HA 0.05 0.00 0.37 -0.75 4.35 4.02 1fp3A1 LEU 279 HB2 -0.01 -0.00 0.06 -0.04 1.64 1.65 1fp3A1 LEU 279 HB3 -0.03 0.11 0.15 -0.04 1.64 1.82 1fp3A1 LEU 279 HG -0.04 -0.02 -0.34 -0.04 1.64 1.20 1fp3A1 LEU 279 HD13 -0.00 -0.02 -0.12 -0.04 0.93 0.75 1fp3A1 LEU 279 HD23 -0.11 0.04 -0.23 -0.04 0.89 0.55 1fp3A1 PRO 280 HA 0.04 0.02 0.42 -0.51 4.44 4.41 1fp3A1 PRO 280 HB2 0.10 0.07 -0.07 -0.04 2.28 2.34 1fp3A1 PRO 280 HB3 0.04 -0.10 0.07 -0.04 2.02 1.99 1fp3A1 PRO 280 HG2 0.03 0.27 -0.15 -0.04 2.03 2.14 1fp3A1 PRO 280 HG3 -0.06 0.02 0.01 -0.04 2.03 1.96 1fp3A1 PRO 280 HD2 0.08 -0.00 -0.96 -0.04 3.68 2.76 1fp3A1 PRO 280 HD3 -0.04 0.34 -0.29 -0.04 3.65 3.62 1fp3A1 PHE 281 H 0.30 0.50 -0.36 -0.55 8.34 8.22 1fp3A1 PHE 281 HA 0.15 -0.08 0.31 -0.75 4.62 4.25 1fp3A1 PHE 281 HB2 0.35 0.07 0.10 -0.04 3.15 3.63 1fp3A1 PHE 281 HB3 0.16 0.11 0.14 -0.04 3.06 3.43 1fp3A1 PHE 281 HD2 0.13 0.03 -0.15 -0.04 7.28 7.24 1fp3A1 PHE 281 HE2 -0.26 -0.02 -0.08 -0.04 7.38 6.98 1fp3A1 PHE 281 HZ -1.48 -0.02 -0.08 -0.04 7.32 5.70 1fp3A1 ARG 282 H 0.23 0.80 -0.05 -0.55 8.46 8.89 1fp3A1 ARG 282 HA 0.10 -0.03 0.39 -0.75 4.34 4.05 1fp3A1 ARG 282 HB2 0.10 -0.10 0.07 -0.04 1.90 1.93 1fp3A1 ARG 282 HB3 0.12 0.22 0.14 -0.04 1.80 2.24 1fp3A1 ARG 282 HG2 0.06 0.10 -0.13 -0.04 1.67 1.66 1fp3A1 ARG 282 HG3 0.06 -0.05 -0.18 -0.04 1.67 1.46 1fp3A1 ARG 282 HD2 0.04 0.01 -0.01 -0.04 3.22 3.22 1fp3A1 ARG 282 HD3 0.04 -0.05 -0.04 -0.04 3.22 3.13 1fp3A1 SER 283 H 0.07 0.51 -0.20 -0.55 8.46 8.30 1fp3A1 SER 283 HA 0.07 0.04 0.51 -0.75 4.49 4.35 1fp3A1 SER 283 HB2 0.05 -0.02 0.13 -0.04 3.95 4.06 1fp3A1 SER 283 HB3 0.05 -0.08 0.03 -0.04 3.93 3.88 1fp3A1 GLY 284 H 0.04 0.93 0.09 -0.55 8.43 8.95 1fp3A1 GLY 284 HA2 0.17 -0.03 0.38 -0.51 4.01 4.02 1fp3A1 GLY 284 HA3 0.01 -0.09 0.30 -0.51 4.01 3.73 1fp3A1 TRP 285 H -0.10 0.71 -0.15 -0.55 7.97 7.88 1fp3A1 TRP 285 HA -0.51 -0.03 0.31 -0.75 4.62 3.64 1fp3A1 TRP 285 HB2 -1.22 0.03 0.02 -0.04 3.23 2.01 1fp3A1 TRP 285 HB3 -0.41 0.05 0.00 -0.04 3.23 2.83 1fp3A1 TRP 285 HD1 -0.15 -0.03 -0.39 -0.04 7.22 6.61 1fp3A1 TRP 285 HE1 -0.08 0.04 -0.12 -0.04 10.20 10.00 1fp3A1 TRP 285 HE3 -0.57 0.03 -0.18 -0.04 7.59 6.82 1fp3A1 TRP 285 HZ2 -0.09 0.12 0.01 -0.04 7.44 7.44 1fp3A1 TRP 285 HZ3 0.04 -0.02 -0.03 -0.04 7.13 7.09 1fp3A1 TRP 285 HH2 -0.26 0.10 0.00 -0.04 7.19 6.99 1fp3A1 ASP 286 H -1.30 0.77 0.12 -0.55 8.40 7.44 1fp3A1 ASP 286 HA -0.47 0.06 0.61 -0.75 4.63 4.08 1fp3A1 ASP 286 HB2 -1.60 0.06 0.07 -0.04 2.71 1.20 1fp3A1 ASP 286 HB3 -0.88 0.31 0.03 -0.04 2.70 2.12 1fp3A1 ALA 287 H -0.03 0.31 0.18 -0.55 8.40 8.31 1fp3A1 ALA 287 HA 0.14 0.07 0.31 -0.75 4.34 4.10 1fp3A1 ALA 287 HB3 0.07 0.02 0.08 -0.04 1.41 1.53 1fp3A1 ASP 288 H -0.10 0.03 -0.20 -0.55 8.40 7.59 1fp3A1 ASP 288 HA -0.17 0.13 0.53 -0.75 4.63 4.37 1fp3A1 ASP 288 HB2 -0.23 -0.04 0.07 -0.04 2.71 2.48 1fp3A1 ASP 288 HB3 -0.73 0.03 -0.04 -0.04 2.70 1.91 1fp3A1 HIS 289 H -0.21 0.05 -0.11 -0.55 8.41 7.60 1fp3A1 HIS 289 HA -0.05 0.23 1.03 -0.75 4.63 5.10 1fp3A1 HIS 289 HB2 -0.14 0.21 0.01 -0.04 3.26 3.30 1fp3A1 HIS 289 HB3 -0.07 0.04 0.14 -0.04 3.20 3.26 1fp3A1 HIS 289 HD2 -0.03 0.02 -0.12 -0.04 6.97 6.80 1fp3A1 HIS 289 HE1 -0.02 -0.02 -0.05 -0.04 7.75 7.62 1fp3A1 GLY 290 H -0.34 0.45 -0.02 -0.55 8.43 7.98 1fp3A1 GLY 290 HA2 -0.85 -0.02 0.32 -0.51 4.01 2.95 1fp3A1 GLY 290 HA3 -0.21 0.06 0.50 -0.51 4.01 3.85 1fp3A1 GLY 291 H -3.59 0.02 0.06 -0.55 8.43 4.38 1fp3A1 GLY 291 HA2 -1.16 -0.08 0.35 -0.51 4.01 2.61 1fp3A1 GLY 291 HA3 -0.88 0.22 0.44 -0.51 4.01 3.29 1fp3A1 LEU 292 H 0.09 0.05 0.08 -0.55 8.37 8.03 1fp3A1 LEU 292 HA -0.43 0.24 0.51 -0.75 4.35 3.91 1fp3A1 LEU 292 HB2 -0.53 -0.10 0.03 -0.04 1.64 1.00 1fp3A1 LEU 292 HB3 -0.21 0.09 -0.07 -0.04 1.64 1.40 1fp3A1 LEU 292 HG 0.09 -0.08 -0.11 -0.04 1.64 1.51 1fp3A1 LEU 292 HD13 -0.19 -0.04 -0.18 -0.04 0.93 0.48 1fp3A1 LEU 292 HD23 -0.06 0.01 -0.21 -0.04 0.89 0.60 1fp3A1 PHE 293 H -0.26 0.60 0.27 -0.55 8.34 8.40 1fp3A1 PHE 293 HA -0.08 0.10 0.40 -0.75 4.62 4.29 1fp3A1 PHE 293 HB2 0.07 -0.06 0.11 -0.04 3.15 3.23 1fp3A1 PHE 293 HB3 0.23 0.12 0.16 -0.04 3.06 3.53 1fp3A1 PHE 293 HD2 -0.04 0.03 0.07 -0.04 7.28 7.30 1fp3A1 PHE 293 HE2 -0.02 0.00 0.01 -0.04 7.38 7.33 1fp3A1 PHE 293 HZ 0.06 -0.12 0.04 -0.04 7.32 7.26 1fp3A1 TYR 294 H 0.20 0.42 0.37 -0.55 8.29 8.72 1fp3A1 TYR 294 HA -0.37 -0.06 0.67 -0.75 4.56 4.04 1fp3A1 TYR 294 HB2 -0.23 0.21 0.18 -0.04 3.06 3.18 1fp3A1 TYR 294 HB3 -0.29 0.03 0.27 -0.04 2.98 2.95 1fp3A1 TYR 294 HD2 -0.42 0.07 0.04 -0.04 7.15 6.81 1fp3A1 TYR 294 HE2 0.07 -0.06 -0.03 -0.04 6.85 6.78 1fp3A1 PHE 295 H 0.26 0.52 0.37 -0.55 8.34 8.93 1fp3A1 PHE 295 HA -0.09 0.31 1.12 -0.75 4.62 5.21 1fp3A1 PHE 295 HB2 0.21 -0.12 0.09 -0.04 3.15 3.29 1fp3A1 PHE 295 HB3 0.06 -0.00 0.18 -0.04 3.06 3.26 1fp3A1 PHE 295 HD2 -0.09 0.05 0.01 -0.04 7.28 7.20 1fp3A1 PHE 295 HE2 -0.17 -0.06 -0.08 -0.04 7.38 7.04 1fp3A1 PHE 295 HZ -0.36 -0.03 -0.06 -0.04 7.32 6.84 1fp3A1 GLN 296 H 0.02 0.47 0.39 -0.55 8.47 8.81 1fp3A1 GLN 296 HA -0.11 0.14 0.65 -0.75 4.36 4.29 1fp3A1 GLN 296 HB2 0.01 -0.09 -0.17 -0.04 2.15 1.86 1fp3A1 GLN 296 HB3 -0.04 0.06 -0.02 -0.04 2.02 1.99 1fp3A1 GLN 296 HG2 0.11 0.18 0.00 -0.04 2.40 2.65 1fp3A1 GLN 296 HG3 0.17 -0.10 -0.56 -0.04 2.39 1.86 1fp3A1 GLN 296 HE21 0.28 0.33 -0.03 -0.04 6.97 7.52 1fp3A1 GLN 296 HE22 0.09 -0.06 0.01 -0.04 7.69 7.69 1fp3A1 ASP 297 H -0.17 0.32 0.13 -0.55 8.40 8.13 1fp3A1 ASP 297 HA -0.06 0.26 0.84 -0.75 4.63 4.91 1fp3A1 ASP 297 HB2 -0.15 -0.03 -0.19 -0.04 2.71 2.30 1fp3A1 ASP 297 HB3 -0.17 0.27 0.02 -0.04 2.70 2.78 1fp3A1 ALA 298 H -0.04 0.72 0.26 -0.55 8.40 8.79 1fp3A1 ALA 298 HA -0.03 0.11 0.38 -0.75 4.34 4.05 1fp3A1 ALA 298 HB3 -0.02 0.01 0.07 -0.04 1.41 1.43 1fp3A1 ASP 299 H -0.05 0.01 -0.27 -0.55 8.40 7.55 1fp3A1 ASP 299 HA -0.04 0.22 0.63 -0.75 4.63 4.69 1fp3A1 ASP 299 HB2 -0.05 -0.09 0.03 -0.04 2.71 2.56 1fp3A1 ASP 299 HB3 -0.04 0.03 0.13 -0.04 2.70 2.78 1fp3A1 GLY 300 H -0.07 0.56 -0.52 -0.55 8.43 7.85 1fp3A1 GLY 300 HA2 -0.10 0.08 0.31 -0.51 4.01 3.79 1fp3A1 GLY 300 HA3 -0.07 0.07 0.41 -0.51 4.01 3.91 1fp3A1 LEU 301 H -0.10 -0.14 -0.62 -0.55 8.37 6.96 1fp3A1 LEU 301 HA -0.12 0.09 0.38 -0.75 4.35 3.94 1fp3A1 LEU 301 HB2 -0.10 -0.14 -0.08 -0.04 1.64 1.27 1fp3A1 LEU 301 HB3 -0.12 0.11 -0.09 -0.04 1.64 1.50 1fp3A1 LEU 301 HG -0.07 0.00 -0.01 -0.04 1.64 1.52 1fp3A1 LEU 301 HD13 -0.06 0.06 -0.10 -0.04 0.93 0.79 1fp3A1 LEU 301 HD23 -0.06 -0.03 -0.06 -0.04 0.89 0.71 1fp3A1 CYS 302 H -0.16 0.07 0.12 -0.55 8.50 7.97 1fp3A1 CYS 302 HA -0.52 0.12 0.44 -0.75 4.58 3.86 1fp3A1 CYS 302 HB2 -0.16 -0.00 0.13 -0.04 2.97 2.89 1fp3A1 CYS 302 HB3 -0.14 -0.08 0.13 -0.04 2.97 2.84 1fp3A1 PRO 303 HA -0.20 0.01 0.43 -0.51 4.44 4.17 1fp3A1 PRO 303 HB2 -0.17 0.04 -0.07 -0.04 2.28 2.03 1fp3A1 PRO 303 HB3 -0.08 -0.05 -0.01 -0.04 2.02 1.84 1fp3A1 PRO 303 HG2 -0.99 0.09 -0.06 -0.04 2.03 1.03 1fp3A1 PRO 303 HG3 -0.49 -0.02 -0.08 -0.04 2.03 1.40 1fp3A1 PRO 303 HD2 -2.03 0.07 0.16 -0.04 3.68 1.83 1fp3A1 PRO 303 HD3 -1.11 0.25 0.23 -0.04 3.65 2.98 1fp3A1 THR 304 H -0.09 0.05 0.13 -0.55 8.28 7.82 1fp3A1 THR 304 HA -0.03 0.21 0.55 -0.75 4.39 4.36 1fp3A1 THR 304 HB -0.08 -0.03 0.11 -0.04 4.32 4.28 1fp3A1 THR 304 HG23 -0.10 -0.03 -0.14 -0.04 1.22 0.92 1fp3A1 GLN 305 H -0.00 -0.00 -0.04 -0.55 8.47 7.88 1fp3A1 GLN 305 HA 0.05 0.07 0.45 -0.75 4.36 4.18 1fp3A1 GLN 305 HB2 0.30 -0.11 -0.12 -0.04 2.15 2.18 1fp3A1 GLN 305 HB3 -0.07 0.06 0.05 -0.04 2.02 2.01 1fp3A1 GLN 305 HG2 0.21 -0.01 0.05 -0.04 2.40 2.61 1fp3A1 GLN 305 HG3 -0.28 0.08 -0.01 -0.04 2.39 2.13 1fp3A1 GLN 305 HE21 -0.13 0.07 0.06 -0.04 6.97 6.93 1fp3A1 GLN 305 HE22 -0.01 0.04 0.06 -0.04 7.69 7.74 1fp3A1 LEU 306 H 0.12 0.15 0.18 -0.55 8.37 8.27 1fp3A1 LEU 306 HA 0.18 0.17 0.36 -0.75 4.35 4.30 1fp3A1 LEU 306 HB2 0.10 -0.06 0.09 -0.04 1.64 1.72 1fp3A1 LEU 306 HB3 0.08 0.05 0.06 -0.04 1.64 1.79 1fp3A1 LEU 306 HG 0.07 -0.04 0.11 -0.04 1.64 1.73 1fp3A1 LEU 306 HD13 0.04 0.01 0.03 -0.04 0.93 0.97 1fp3A1 LEU 306 HD23 0.07 0.03 0.07 -0.04 0.89 1.01 1fp3A1 GLU 307 H 0.22 0.03 -0.20 -0.55 8.60 8.11 1fp3A1 GLU 307 HA 0.05 0.19 0.61 -0.75 4.29 4.39 1fp3A1 GLU 307 HB2 0.20 0.03 0.11 -0.04 2.09 2.38 1fp3A1 GLU 307 HB3 0.18 -0.00 0.03 -0.04 1.99 2.16 1fp3A1 GLU 307 HG2 0.54 0.05 -0.36 -0.04 2.34 2.52 1fp3A1 GLU 307 HG3 0.56 0.02 -0.06 -0.04 2.34 2.82 1fp3A1 TRP 308 H 0.45 0.47 -0.50 -0.55 7.97 7.85 1fp3A1 TRP 308 HA 0.25 -0.04 0.39 -0.75 4.62 4.47 1fp3A1 TRP 308 HB2 0.15 0.06 0.01 -0.04 3.23 3.40 1fp3A1 TRP 308 HB3 0.18 -0.01 0.05 -0.04 3.23 3.40 1fp3A1 TRP 308 HD1 0.04 0.33 -0.03 -0.04 7.22 7.52 1fp3A1 TRP 308 HE1 -0.02 0.01 0.01 -0.04 10.20 10.16 1fp3A1 TRP 308 HE3 -0.19 0.19 -0.14 -0.04 7.59 7.41 1fp3A1 TRP 308 HZ2 -0.09 -0.01 0.02 -0.04 7.44 7.32 1fp3A1 TRP 308 HZ3 -1.46 0.05 0.03 -0.04 7.13 5.70 1fp3A1 TRP 308 HH2 -0.37 0.01 0.02 -0.04 7.19 6.81 1fp3A1 ALA 309 H -1.33 0.15 -0.19 -0.55 8.40 6.48 1fp3A1 ALA 309 HA -0.66 0.19 0.75 -0.75 4.34 3.87 1fp3A1 ALA 309 HB3 -1.65 0.00 0.12 -0.04 1.41 -0.16 1fp3A1 MET 310 H -0.10 0.39 -0.35 -0.55 8.47 7.86 1fp3A1 MET 310 HA -0.10 0.03 0.54 -0.75 4.52 4.24 1fp3A1 MET 310 HB2 0.05 0.11 0.11 -0.04 2.15 2.38 1fp3A1 MET 310 HB3 0.02 0.05 -0.02 -0.04 2.03 2.04 1fp3A1 MET 310 HG2 -0.04 -0.02 0.01 -0.04 2.63 2.54 1fp3A1 MET 310 HG3 -0.06 -0.09 -0.02 -0.04 2.56 2.35 1fp3A1 MET 310 HE3 0.08 -0.00 -0.19 -0.04 2.10 1.94 1fp3A1 LYS 311 H -0.03 0.60 0.08 -0.55 8.42 8.52 1fp3A1 LYS 311 HA 0.04 0.25 0.84 -0.75 4.32 4.70 1fp3A1 LYS 311 HB2 -0.07 -0.05 0.07 -0.04 1.87 1.79 1fp3A1 LYS 311 HB3 0.10 -0.05 -0.03 -0.04 1.79 1.77 1fp3A1 LYS 311 HG2 -0.10 -0.04 -0.15 -0.04 1.46 1.12 1fp3A1 LYS 311 HG3 -0.09 0.12 -0.06 -0.04 1.46 1.39 1fp3A1 LYS 311 HD2 -0.18 -0.14 -0.34 -0.04 1.69 0.98 1fp3A1 LYS 311 HD3 -0.08 0.08 -0.50 -0.04 1.68 1.14 1fp3A1 LYS 311 HE2 -0.62 -0.05 -0.34 -0.04 2.99 1.94 1fp3A1 LYS 311 HE3 -0.12 -0.01 -0.12 -0.04 2.99 2.70 1fp3A1 LEU 312 H -0.11 0.22 0.11 -0.55 8.37 8.05 1fp3A1 LEU 312 HA 0.18 0.39 1.02 -0.75 4.35 5.18 1fp3A1 LEU 312 HB2 -0.75 0.02 0.12 -0.04 1.64 0.99 1fp3A1 LEU 312 HB3 -0.63 -0.18 0.04 -0.04 1.64 0.83 1fp3A1 LEU 312 HG -0.03 0.05 0.03 -0.04 1.64 1.65 1fp3A1 LEU 312 HD13 -0.11 0.03 -0.26 -0.04 0.93 0.55 1fp3A1 LEU 312 HD23 -0.89 -0.02 -0.02 -0.04 0.89 -0.08 1fp3A1 TRP 313 H 0.58 0.55 0.33 -0.55 7.97 8.88 1fp3A1 TRP 313 HA -1.56 0.11 0.40 -0.75 4.62 2.82 1fp3A1 TRP 313 HB2 -0.20 0.02 0.09 -0.04 3.23 3.10 1fp3A1 TRP 313 HB3 -0.17 0.17 0.32 -0.04 3.23 3.51 1fp3A1 TRP 313 HD1 0.05 -0.01 -0.12 -0.04 7.22 7.09 1fp3A1 TRP 313 HE1 0.22 -0.17 0.05 -0.04 10.20 10.26 1fp3A1 TRP 313 HE3 -0.37 0.37 0.30 -0.04 7.59 7.85 1fp3A1 TRP 313 HZ2 0.31 -0.01 0.15 -0.04 7.44 7.85 1fp3A1 TRP 313 HZ3 -0.17 0.01 -0.03 -0.04 7.13 6.91 1fp3A1 TRP 313 HH2 0.36 0.11 -0.07 -0.04 7.19 7.54 1fp3A1 TRP 314 H -1.90 0.12 -0.04 -0.55 7.97 5.60 1fp3A1 TRP 314 HA -0.76 0.05 0.56 -0.75 4.62 3.72 1fp3A1 TRP 314 HB2 -1.60 -0.00 0.06 -0.04 3.23 1.64 1fp3A1 TRP 314 HB3 -2.22 -0.02 0.10 -0.04 3.23 1.05 1fp3A1 TRP 314 HD1 -2.57 -0.00 0.04 -0.04 7.22 4.64 1fp3A1 TRP 314 HE1 -0.28 0.01 -0.01 -0.04 10.20 9.87 1fp3A1 TRP 314 HE3 -0.37 -0.04 -0.43 -0.04 7.59 6.71 1fp3A1 TRP 314 HZ2 0.05 0.02 -0.03 -0.04 7.44 7.44 1fp3A1 TRP 314 HZ3 0.02 0.10 -0.53 -0.04 7.13 6.68 1fp3A1 TRP 314 HH2 -0.19 -0.04 -0.11 -0.04 7.19 6.81 1fp3A1 PRO 315 HA -0.37 0.07 0.54 -0.51 4.44 4.17 1fp3A1 PRO 315 HB2 -0.66 0.15 0.00 -0.04 2.28 1.73 1fp3A1 PRO 315 HB3 -0.60 -0.11 0.16 -0.04 2.02 1.42 1fp3A1 PRO 315 HG2 -0.85 0.16 0.07 -0.04 2.03 1.37 1fp3A1 PRO 315 HG3 -2.00 -0.04 0.07 -0.04 2.03 0.03 1fp3A1 PRO 315 HD2 -0.77 0.61 -0.26 -0.04 3.68 3.22 1fp3A1 PRO 315 HD3 -2.46 -0.05 -0.00 -0.04 3.65 1.10 1fp3A1 HIS 316 H -0.17 0.34 -0.39 -0.55 8.41 7.64 1fp3A1 HIS 316 HA 0.10 0.06 0.53 -0.75 4.63 4.56 1fp3A1 HIS 316 HB2 -0.07 0.20 0.13 -0.04 3.26 3.48 1fp3A1 HIS 316 HB3 0.22 -0.02 0.01 -0.04 3.20 3.37 1fp3A1 HIS 316 HD2 0.35 0.01 0.03 -0.04 6.97 7.31 1fp3A1 HIS 316 HE1 0.03 0.15 0.05 -0.04 7.75 7.93 1fp3A1 SER 317 H 0.04 0.44 0.08 -0.55 8.46 8.48 1fp3A1 SER 317 HA 0.24 0.05 0.40 -0.75 4.49 4.43 1fp3A1 SER 317 HB2 0.13 0.06 0.05 -0.04 3.95 4.14 1fp3A1 SER 317 HB3 0.20 0.03 0.03 -0.04 3.93 4.16 1fp3A1 GLU 318 H 0.08 0.60 -0.28 -0.55 8.60 8.45 1fp3A1 GLU 318 HA 0.20 0.01 0.38 -0.75 4.29 4.12 1fp3A1 GLU 318 HB2 0.15 0.15 0.11 -0.04 2.09 2.46 1fp3A1 GLU 318 HB3 0.26 -0.07 -0.00 -0.04 1.99 2.14 1fp3A1 GLU 318 HG2 0.28 0.21 0.04 -0.04 2.34 2.83 1fp3A1 GLU 318 HG3 0.32 -0.05 -0.01 -0.04 2.34 2.56 1fp3A1 ALA 319 H 0.04 0.29 -0.35 -0.55 8.40 7.84 1fp3A1 ALA 319 HA -0.23 0.02 0.40 -0.75 4.34 3.77 1fp3A1 ALA 319 HB3 0.14 0.05 0.11 -0.04 1.41 1.67 1fp3A1 MET 320 H 0.10 0.61 -0.15 -0.55 8.47 8.49 1fp3A1 MET 320 HA 0.16 -0.02 0.38 -0.75 4.52 4.30 1fp3A1 MET 320 HB2 0.14 0.19 0.17 -0.04 2.15 2.61 1fp3A1 MET 320 HB3 0.22 -0.03 -0.03 -0.04 2.03 2.14 1fp3A1 MET 320 HG2 -0.33 -0.03 0.00 -0.04 2.63 2.22 1fp3A1 MET 320 HG3 0.09 0.07 -0.05 -0.04 2.56 2.63 1fp3A1 MET 320 HE3 0.16 -0.00 -0.03 -0.04 2.10 2.19 1fp3A1 ILE 321 H -0.01 0.40 -0.22 -0.55 8.25 7.87 1fp3A1 ILE 321 HA -0.15 0.03 0.40 -0.75 4.18 3.71 1fp3A1 ILE 321 HB -0.50 0.08 0.14 -0.04 1.89 1.57 1fp3A1 ILE 321 HG12 -0.25 0.00 0.05 -0.04 1.49 1.26 1fp3A1 ILE 321 HG13 -0.09 0.15 0.11 -0.04 1.21 1.34 1fp3A1 ILE 321 HG23 -1.36 -0.01 -0.17 -0.04 0.93 -0.65 1fp3A1 ILE 321 HD13 -0.28 -0.03 -0.11 -0.04 0.88 0.42 1fp3A1 ALA 322 H -0.11 0.64 -0.06 -0.55 8.40 8.32 1fp3A1 ALA 322 HA 0.04 -0.03 0.34 -0.75 4.34 3.93 1fp3A1 ALA 322 HB3 -0.08 0.03 0.07 -0.04 1.41 1.39 1fp3A1 PHE 323 H -0.07 0.58 -0.27 -0.55 8.34 8.02 1fp3A1 PHE 323 HA -0.01 0.03 0.58 -0.75 4.62 4.47 1fp3A1 PHE 323 HB2 0.09 0.09 0.11 -0.04 3.15 3.39 1fp3A1 PHE 323 HB3 -0.04 0.06 -0.00 -0.04 3.06 3.03 1fp3A1 PHE 323 HD2 -0.09 -0.03 -0.14 -0.04 7.28 6.97 1fp3A1 PHE 323 HE2 -0.18 -0.04 -0.15 -0.04 7.38 6.97 1fp3A1 PHE 323 HZ -0.30 0.05 -0.06 -0.04 7.32 6.98 1fp3A1 LEU 324 H 0.14 0.58 0.01 -0.55 8.37 8.55 1fp3A1 LEU 324 HA -0.26 -0.02 0.35 -0.75 4.35 3.67 1fp3A1 LEU 324 HB2 -0.80 0.04 0.16 -0.04 1.64 1.00 1fp3A1 LEU 324 HB3 -0.21 0.10 0.15 -0.04 1.64 1.64 1fp3A1 LEU 324 HG -0.23 -0.01 -0.14 -0.04 1.64 1.22 1fp3A1 LEU 324 HD13 -0.67 -0.02 -0.00 -0.04 0.93 0.20 1fp3A1 LEU 324 HD23 -0.35 0.00 0.01 -0.04 0.89 0.51 1fp3A1 MET 325 H -0.06 0.67 -0.25 -0.55 8.47 8.29 1fp3A1 MET 325 HA -0.05 0.04 0.35 -0.75 4.52 4.11 1fp3A1 MET 325 HB2 -0.11 0.03 0.01 -0.04 2.15 2.04 1fp3A1 MET 325 HB3 0.01 0.04 0.04 -0.04 2.03 2.08 1fp3A1 MET 325 HG2 0.07 -0.02 -0.28 -0.04 2.63 2.36 1fp3A1 MET 325 HG3 0.02 -0.02 -0.07 -0.04 2.56 2.45 1fp3A1 MET 325 HE3 0.16 -0.00 -0.27 -0.04 2.10 1.95 1fp3A1 GLY 326 H 0.07 0.54 -0.18 -0.55 8.43 8.31 1fp3A1 GLY 326 HA2 0.06 0.02 0.36 -0.51 4.01 3.94 1fp3A1 GLY 326 HA3 0.10 0.06 0.31 -0.51 4.01 3.98 1fp3A1 TYR 327 H 0.13 0.64 -0.34 -0.55 8.29 8.17 1fp3A1 TYR 327 HA -0.04 -0.06 0.44 -0.75 4.56 4.15 1fp3A1 TYR 327 HB2 -0.10 -0.12 -0.11 -0.04 3.06 2.69 1fp3A1 TYR 327 HB3 -0.13 0.18 0.10 -0.04 2.98 3.08 1fp3A1 TYR 327 HD2 -0.12 0.10 -0.20 -0.04 7.15 6.89 1fp3A1 TYR 327 HE2 -0.06 0.08 -0.22 -0.04 6.85 6.61 1fp3A1 SER 328 H -0.03 0.74 -0.00 -0.55 8.46 8.62 1fp3A1 SER 328 HA -0.32 -0.02 0.32 -0.75 4.49 3.71 1fp3A1 SER 328 HB2 -0.07 0.10 0.18 -0.04 3.95 4.12 1fp3A1 SER 328 HB3 -0.09 -0.03 -0.02 -0.04 3.93 3.75 1fp3A1 GLU 329 H -0.06 0.38 -0.57 -0.55 8.60 7.80 1fp3A1 GLU 329 HA -0.05 0.11 0.62 -0.75 4.29 4.21 1fp3A1 GLU 329 HB2 0.01 0.02 0.06 -0.04 2.09 2.13 1fp3A1 GLU 329 HB3 0.01 -0.08 -0.03 -0.04 1.99 1.84 1fp3A1 GLU 329 HG2 -0.01 -0.01 -0.08 -0.04 2.34 2.19 1fp3A1 GLU 329 HG3 0.03 -0.07 -0.18 -0.04 2.34 2.09 1fp3A1 SER 330 H -0.05 0.51 0.11 -0.55 8.46 8.49 1fp3A1 SER 330 HA -0.03 0.23 1.02 -0.75 4.49 4.97 1fp3A1 SER 330 HB2 0.02 -0.07 0.14 -0.04 3.95 4.00 1fp3A1 SER 330 HB3 0.02 -0.01 0.00 -0.04 3.93 3.90 1fp3A1 GLY 331 H -0.25 1.00 0.14 -0.55 8.43 8.77 1fp3A1 GLY 331 HA2 -0.53 0.03 0.26 -0.51 4.01 3.27 1fp3A1 GLY 331 HA3 -0.13 0.06 0.32 -0.51 4.01 3.75 1fp3A1 ASP 332 H 0.06 0.02 -0.68 -0.55 8.40 7.25 1fp3A1 ASP 332 HA 0.07 0.17 0.50 -0.75 4.63 4.61 1fp3A1 ASP 332 HB2 0.04 0.14 0.05 -0.04 2.71 2.90 1fp3A1 ASP 332 HB3 0.07 -0.03 0.08 -0.04 2.70 2.78 1fp3A1 PRO 333 HA -0.09 0.08 0.13 -0.51 4.44 4.04 1fp3A1 PRO 333 HB2 -0.03 -0.01 0.05 -0.04 2.28 2.25 1fp3A1 PRO 333 HB3 0.05 0.12 0.09 -0.04 2.02 2.24 1fp3A1 PRO 333 HG2 -0.00 0.00 0.01 -0.04 2.03 2.00 1fp3A1 PRO 333 HG3 0.03 0.09 0.09 -0.04 2.03 2.19 1fp3A1 PRO 333 HD2 0.03 0.03 0.19 -0.04 3.68 3.89 1fp3A1 PRO 333 HD3 0.06 0.31 0.32 -0.04 3.65 4.30 1fp3A1 ALA 334 H -0.02 0.14 -0.43 -0.55 8.40 7.55 1fp3A1 ALA 334 HA -0.10 0.11 0.42 -0.75 4.34 4.01 1fp3A1 ALA 334 HB3 -0.07 0.03 0.01 -0.04 1.41 1.34 1fp3A1 LEU 335 H -0.06 0.30 -0.19 -0.55 8.37 7.87 1fp3A1 LEU 335 HA -0.27 0.05 0.37 -0.75 4.35 3.74 1fp3A1 LEU 335 HB2 0.08 0.14 0.01 -0.04 1.64 1.83 1fp3A1 LEU 335 HB3 0.08 0.07 0.00 -0.04 1.64 1.75 1fp3A1 LEU 335 HG 0.01 -0.09 -0.02 -0.04 1.64 1.51 1fp3A1 LEU 335 HD13 0.10 -0.01 -0.17 -0.04 0.93 0.80 1fp3A1 LEU 335 HD23 0.07 0.01 -0.04 -0.04 0.89 0.88 1fp3A1 LEU 336 H -0.34 0.21 -0.37 -0.55 8.37 7.33 1fp3A1 LEU 336 HA -0.57 0.06 0.34 -0.75 4.35 3.42 1fp3A1 LEU 336 HB2 -1.78 0.02 0.01 -0.04 1.64 -0.15 1fp3A1 LEU 336 HB3 -0.60 0.17 0.08 -0.04 1.64 1.24 1fp3A1 LEU 336 HG -0.70 -0.01 -0.23 -0.04 1.64 0.66 1fp3A1 LEU 336 HD13 -0.75 -0.01 -0.01 -0.04 0.93 0.12 1fp3A1 LEU 336 HD23 -0.36 0.01 -0.05 -0.04 0.89 0.44 1fp3A1 ARG 337 H -0.27 0.41 -0.31 -0.55 8.46 7.73 1fp3A1 ARG 337 HA -0.01 0.02 0.39 -0.75 4.34 3.99 1fp3A1 ARG 337 HB2 -0.15 0.13 0.20 -0.04 1.90 2.04 1fp3A1 ARG 337 HB3 -0.13 -0.02 -0.04 -0.04 1.80 1.58 1fp3A1 ARG 337 HG2 0.02 -0.02 0.02 -0.04 1.67 1.64 1fp3A1 ARG 337 HG3 0.02 -0.02 0.00 -0.04 1.67 1.63 1fp3A1 ARG 337 HD2 -0.02 -0.02 -0.02 -0.04 3.22 3.13 1fp3A1 ARG 337 HD3 -0.04 0.01 -0.04 -0.04 3.22 3.12 1fp3A1 LEU 338 H -0.41 0.39 -0.22 -0.55 8.37 7.59 1fp3A1 LEU 338 HA -0.57 0.04 0.45 -0.75 4.35 3.52 1fp3A1 LEU 338 HB2 -1.03 0.07 0.13 -0.04 1.64 0.76 1fp3A1 LEU 338 HB3 -1.91 -0.03 -0.03 -0.04 1.64 -0.38 1fp3A1 LEU 338 HG -0.51 0.09 -0.02 -0.04 1.64 1.16 1fp3A1 LEU 338 HD13 -0.69 -0.01 -0.09 -0.04 0.93 0.10 1fp3A1 LEU 338 HD23 -0.88 -0.00 -0.04 -0.04 0.89 -0.07 1fp3A1 PHE 339 H -0.29 0.54 -0.27 -0.55 8.34 7.77 1fp3A1 PHE 339 HA -0.08 -0.01 0.34 -0.75 4.62 4.12 1fp3A1 PHE 339 HB2 -0.16 -0.05 -0.00 -0.04 3.15 2.89 1fp3A1 PHE 339 HB3 -0.51 0.21 0.15 -0.04 3.06 2.87 1fp3A1 PHE 339 HD2 -0.39 0.09 0.01 -0.04 7.28 6.95 1fp3A1 PHE 339 HE2 -0.53 -0.00 -0.06 -0.04 7.38 6.74 1fp3A1 PHE 339 HZ -0.38 -0.00 -0.06 -0.04 7.32 6.83 1fp3A1 TYR 340 H -0.22 0.51 -0.21 -0.55 8.29 7.82 1fp3A1 TYR 340 HA -0.27 -0.01 0.34 -0.75 4.56 3.87 1fp3A1 TYR 340 HB2 -0.04 0.16 0.15 -0.04 3.06 3.29 1fp3A1 TYR 340 HB3 0.09 -0.03 -0.01 -0.04 2.98 2.98 1fp3A1 TYR 340 HD2 -0.03 -0.04 -0.05 -0.04 7.15 6.99 1fp3A1 TYR 340 HE2 0.17 -0.02 -0.09 -0.04 6.85 6.86 1fp3A1 GLN 341 H -0.11 0.47 -0.27 -0.55 8.47 8.01 1fp3A1 GLN 341 HA 0.03 0.01 0.36 -0.75 4.36 4.00 1fp3A1 GLN 341 HB2 -0.18 0.02 0.10 -0.04 2.15 2.05 1fp3A1 GLN 341 HB3 -0.34 0.13 0.22 -0.04 2.02 1.98 1fp3A1 GLN 341 HG2 -0.58 -0.03 -0.20 -0.04 2.40 1.54 1fp3A1 GLN 341 HG3 -0.13 -0.05 -0.07 -0.04 2.39 2.11 1fp3A1 GLN 341 HE21 -0.17 0.02 -0.05 -0.04 6.97 6.73 1fp3A1 GLN 341 HE22 -0.04 -0.01 -0.04 -0.04 7.69 7.57 1fp3A1 VAL 342 H -0.17 0.72 -0.01 -0.55 8.24 8.23 1fp3A1 VAL 342 HA 0.32 -0.02 0.44 -0.75 4.13 4.12 1fp3A1 VAL 342 HB 0.03 0.04 0.05 -0.04 2.12 2.19 1fp3A1 VAL 342 HG13 0.41 -0.04 -0.02 -0.04 0.97 1.28 1fp3A1 VAL 342 HG23 0.17 0.15 0.00 -0.04 0.95 1.23 1fp3A1 ALA 343 H -0.41 0.92 -0.01 -0.55 8.40 8.36 1fp3A1 ALA 343 HA -0.07 -0.07 0.36 -0.75 4.34 3.81 1fp3A1 ALA 343 HB3 -1.40 -0.00 0.06 -0.04 1.41 0.03 1fp3A1 GLU 344 H 0.14 0.64 -0.21 -0.55 8.60 8.62 1fp3A1 GLU 344 HA 0.40 0.01 0.49 -0.75 4.29 4.43 1fp3A1 GLU 344 HB2 0.29 0.10 0.13 -0.04 2.09 2.57 1fp3A1 GLU 344 HB3 0.21 0.06 0.08 -0.04 1.99 2.30 1fp3A1 GLU 344 HG2 0.11 -0.01 -0.03 -0.04 2.34 2.38 1fp3A1 GLU 344 HG3 0.13 -0.04 0.02 -0.04 2.34 2.42 1fp3A1 TYR 345 H 0.35 0.52 -0.07 -0.55 8.29 8.54 1fp3A1 TYR 345 HA 0.13 0.06 0.44 -0.75 4.56 4.44 1fp3A1 TYR 345 HB2 0.39 0.03 0.13 -0.04 3.06 3.57 1fp3A1 TYR 345 HB3 0.39 0.07 0.23 -0.04 2.98 3.63 1fp3A1 TYR 345 HD2 0.11 0.01 -0.11 -0.04 7.15 7.12 1fp3A1 TYR 345 HE2 -0.36 0.14 -0.11 -0.04 6.85 6.48 1fp3A1 THR 346 H 0.38 0.68 -0.01 -0.55 8.28 8.78 1fp3A1 THR 346 HA 0.21 0.04 0.49 -0.75 4.39 4.38 1fp3A1 THR 346 HB 0.28 -0.05 0.05 -0.04 4.32 4.55 1fp3A1 THR 346 HG23 0.37 0.00 0.00 -0.04 1.22 1.56 1fp3A1 PHE 347 H 0.35 0.56 -0.17 -0.55 8.34 8.54 1fp3A1 PHE 347 HA -0.35 -0.05 0.40 -0.75 4.62 3.87 1fp3A1 PHE 347 HB2 0.24 0.27 0.22 -0.04 3.15 3.85 1fp3A1 PHE 347 HB3 0.06 -0.01 -0.03 -0.04 3.06 3.03 1fp3A1 PHE 347 HD2 0.13 0.05 0.02 -0.04 7.28 7.44 1fp3A1 PHE 347 HE2 0.34 -0.00 -0.07 -0.04 7.38 7.61 1fp3A1 PHE 347 HZ 0.46 -0.05 -0.10 -0.04 7.32 7.59 1fp3A1 ARG 348 H 0.06 0.47 -0.28 -0.55 8.46 8.16 1fp3A1 ARG 348 HA -0.04 0.03 0.51 -0.75 4.34 4.09 1fp3A1 ARG 348 HB2 0.02 -0.03 0.12 -0.04 1.90 1.97 1fp3A1 ARG 348 HB3 -0.09 0.07 0.14 -0.04 1.80 1.89 1fp3A1 ARG 348 HG2 -0.11 0.04 -0.12 -0.04 1.67 1.44 1fp3A1 ARG 348 HG3 -0.04 -0.07 0.05 -0.04 1.67 1.57 1fp3A1 ARG 348 HD2 -0.05 0.03 -0.04 -0.04 3.22 3.12 1fp3A1 ARG 348 HD3 -0.04 -0.04 -0.02 -0.04 3.22 3.07 1fp3A1 GLN 349 H -0.32 0.46 -0.08 -0.55 8.47 7.99 1fp3A1 GLN 349 HA -0.36 0.17 0.84 -0.75 4.36 4.25 1fp3A1 GLN 349 HB2 -0.92 -0.08 0.11 -0.04 2.15 1.23 1fp3A1 GLN 349 HB3 -0.91 -0.04 -0.02 -0.04 2.02 1.01 1fp3A1 GLN 349 HG2 -0.84 0.09 0.10 -0.04 2.40 1.71 1fp3A1 GLN 349 HG3 -2.04 -0.10 -0.02 -0.04 2.39 0.19 1fp3A1 GLN 349 HE21 -0.25 0.01 0.07 -0.04 6.97 6.76 1fp3A1 GLN 349 HE22 -0.42 -0.06 0.03 -0.04 7.69 7.20 1fp3A1 PHE 350 H -0.16 0.48 0.12 -0.55 8.34 8.23 1fp3A1 PHE 350 HA -0.02 0.20 0.91 -0.75 4.62 4.95 1fp3A1 PHE 350 HB2 -0.44 0.02 0.08 -0.04 3.15 2.76 1fp3A1 PHE 350 HB3 0.11 0.04 0.06 -0.04 3.06 3.24 1fp3A1 PHE 350 HD2 -0.03 0.09 -0.05 -0.04 7.28 7.25 1fp3A1 PHE 350 HE2 -0.19 -0.00 -0.24 -0.04 7.38 6.90 1fp3A1 PHE 350 HZ -0.12 0.00 -0.55 -0.04 7.32 6.61 1fp3A1 ARG 351 H -0.46 0.26 -0.05 -0.55 8.46 7.66 1fp3A1 ARG 351 HA -0.42 -0.00 0.44 -0.75 4.34 3.60 1fp3A1 ARG 351 HB2 -0.27 0.24 0.09 -0.04 1.90 1.93 1fp3A1 ARG 351 HB3 -0.19 -0.08 -0.03 -0.04 1.80 1.46 1fp3A1 ARG 351 HG2 -1.61 -0.10 -0.03 -0.04 1.67 -0.12 1fp3A1 ARG 351 HG3 -1.09 0.07 0.13 -0.04 1.67 0.73 1fp3A1 ARG 351 HD2 -0.08 -0.04 -0.03 -0.04 3.22 3.03 1fp3A1 ARG 351 HD3 -0.65 -0.09 -0.02 -0.04 3.22 2.43 1fp3A1 ASP 352 H -0.08 0.34 0.11 -0.55 8.40 8.22 1fp3A1 ASP 352 HA 0.05 0.25 0.92 -0.75 4.63 5.10 1fp3A1 ASP 352 HB2 -0.99 0.07 -0.01 -0.04 2.71 1.75 1fp3A1 ASP 352 HB3 -0.37 0.16 0.17 -0.04 2.70 2.62 1fp3A1 PRO 353 HA -0.00 0.07 0.09 -0.51 4.44 4.08 1fp3A1 PRO 353 HB2 -0.01 0.03 0.05 -0.04 2.28 2.30 1fp3A1 PRO 353 HB3 -0.00 0.03 0.02 -0.04 2.02 2.02 1fp3A1 PRO 353 HG2 -0.02 0.02 -0.06 -0.04 2.03 1.93 1fp3A1 PRO 353 HG3 -0.01 0.08 -0.00 -0.04 2.03 2.06 1fp3A1 PRO 353 HD2 0.03 0.06 0.11 -0.04 3.68 3.84 1fp3A1 PRO 353 HD3 -0.00 0.34 -0.07 -0.04 3.65 3.87 1fp3A1 GLU 354 H -0.04 -0.03 -0.86 -0.55 8.60 7.13 1fp3A1 GLU 354 HA -0.20 0.11 0.56 -0.75 4.29 4.01 1fp3A1 GLU 354 HB2 -0.07 -0.05 0.06 -0.04 2.09 1.98 1fp3A1 GLU 354 HB3 -0.63 0.01 -0.04 -0.04 1.99 1.29 1fp3A1 GLU 354 HG2 -0.03 -0.01 -0.03 -0.04 2.34 2.22 1fp3A1 GLU 354 HG3 -0.03 -0.01 -0.01 -0.04 2.34 2.25 1fp3A1 TYR 355 H 0.00 0.07 0.05 -0.55 8.29 7.86 1fp3A1 TYR 355 HA 0.05 0.21 1.02 -0.75 4.56 5.09 1fp3A1 TYR 355 HB2 -0.05 0.13 0.13 -0.04 3.06 3.22 1fp3A1 TYR 355 HB3 0.09 0.02 0.08 -0.04 2.98 3.13 1fp3A1 TYR 355 HD2 0.03 0.05 -0.02 -0.04 7.15 7.16 1fp3A1 TYR 355 HE2 0.03 -0.02 -0.05 -0.04 6.85 6.77 1fp3A1 GLY 356 H -0.01 0.39 0.19 -0.55 8.43 8.46 1fp3A1 GLY 356 HA2 0.03 -0.06 0.30 -0.51 4.01 3.77 1fp3A1 GLY 356 HA3 0.10 0.22 0.93 -0.51 4.01 4.75 1fp3A1 GLU 357 H -0.00 0.02 0.05 -0.55 8.60 8.12 1fp3A1 GLU 357 HA -0.13 -0.08 0.36 -0.75 4.29 3.69 1fp3A1 GLU 357 HB2 -1.48 0.08 -0.45 -0.04 2.09 0.21 1fp3A1 GLU 357 HB3 -0.67 0.12 0.18 -0.04 1.99 1.58 1fp3A1 GLU 357 HG2 -0.16 -0.00 0.14 -0.04 2.34 2.27 1fp3A1 GLU 357 HG3 -0.78 0.03 0.00 -0.04 2.34 1.56 1fp3A1 TRP 358 H -0.05 0.11 0.18 -0.55 7.97 7.66 1fp3A1 TRP 358 HA -0.24 0.25 1.05 -0.75 4.62 4.93 1fp3A1 TRP 358 HB2 -0.03 -0.11 -0.03 -0.04 3.23 3.01 1fp3A1 TRP 358 HB3 0.09 0.16 -0.12 -0.04 3.23 3.31 1fp3A1 TRP 358 HD1 -0.13 0.09 -1.06 -0.04 7.22 6.08 1fp3A1 TRP 358 HE1 -0.16 0.01 -0.11 -0.04 10.20 9.89 1fp3A1 TRP 358 HE3 0.03 0.02 -0.06 -0.04 7.59 7.54 1fp3A1 TRP 358 HZ2 -0.42 0.01 -0.08 -0.04 7.44 6.91 1fp3A1 TRP 358 HZ3 0.02 -0.03 -0.06 -0.04 7.13 7.01 1fp3A1 TRP 358 HH2 0.03 0.00 -0.08 -0.04 7.19 7.10 1fp3A1 PHE 359 H 0.15 0.70 0.26 -0.55 8.34 8.90 1fp3A1 PHE 359 HA 0.02 0.17 0.44 -0.75 4.62 4.49 1fp3A1 PHE 359 HB2 0.09 0.07 0.09 -0.04 3.15 3.36 1fp3A1 PHE 359 HB3 0.07 -0.08 0.11 -0.04 3.06 3.13 1fp3A1 PHE 359 HD2 -0.01 0.14 -0.00 -0.04 7.28 7.37 1fp3A1 PHE 359 HE2 -0.01 -0.00 0.06 -0.04 7.38 7.38 1fp3A1 PHE 359 HZ 0.02 -0.08 0.03 -0.04 7.32 7.25 1fp3A1 GLY 360 H 0.12 0.19 0.23 -0.55 8.43 8.42 1fp3A1 GLY 360 HA2 0.04 0.16 0.99 -0.51 4.01 4.69 1fp3A1 GLY 360 HA3 -0.88 -0.03 0.33 -0.51 4.01 2.92 1fp3A1 TYR 361 H 0.26 0.16 0.15 -0.55 8.29 8.31 1fp3A1 TYR 361 HA 0.22 0.28 1.11 -0.75 4.56 5.42 1fp3A1 TYR 361 HB2 0.06 -0.09 0.15 -0.04 3.06 3.14 1fp3A1 TYR 361 HB3 0.06 0.05 -0.04 -0.04 2.98 3.01 1fp3A1 TYR 361 HD2 0.08 0.06 -0.03 -0.04 7.15 7.22 1fp3A1 TYR 361 HE2 0.13 0.02 -0.11 -0.04 6.85 6.85 1fp3A1 LEU 362 H 0.11 0.61 0.26 -0.55 8.37 8.80 1fp3A1 LEU 362 HA -0.09 0.02 1.00 -0.75 4.35 4.52 1fp3A1 LEU 362 HB2 -0.19 0.11 0.08 -0.04 1.64 1.60 1fp3A1 LEU 362 HB3 -0.22 0.02 -0.18 -0.04 1.64 1.22 1fp3A1 LEU 362 HG -0.38 0.24 -0.39 -0.04 1.64 1.07 1fp3A1 LEU 362 HD13 -0.15 -0.03 -0.38 -0.04 0.93 0.33 1fp3A1 LEU 362 HD23 -1.19 0.01 -0.26 -0.04 0.89 -0.59 1fp3A1 ASN 363 H -0.12 0.60 0.19 -0.55 8.53 8.66 1fp3A1 ASN 363 HA -0.08 0.06 0.49 -0.75 4.76 4.47 1fp3A1 ASN 363 HB2 -0.11 -0.04 0.15 -0.04 2.88 2.84 1fp3A1 ASN 363 HB3 -0.09 0.06 0.06 -0.04 2.79 2.78 1fp3A1 ASN 363 HD21 -0.13 0.04 -0.04 -0.04 7.03 6.87 1fp3A1 ASN 363 HD22 -0.11 0.05 -0.01 -0.04 7.74 7.63 1fp3A1 ARG 364 H -0.16 0.09 0.12 -0.55 8.46 7.96 1fp3A1 ARG 364 HA -0.13 0.26 0.45 -0.75 4.34 4.17 1fp3A1 ARG 364 HB2 -0.18 0.20 0.19 -0.04 1.90 2.07 1fp3A1 ARG 364 HB3 -0.18 -0.14 0.17 -0.04 1.80 1.60 1fp3A1 ARG 364 HG2 -0.11 -0.06 -0.06 -0.04 1.67 1.39 1fp3A1 ARG 364 HG3 -0.15 0.07 -0.50 -0.04 1.67 1.06 1fp3A1 ARG 364 HD2 0.26 -0.03 -0.01 -0.04 3.22 3.40 1fp3A1 ARG 364 HD3 0.13 0.12 0.09 -0.04 3.22 3.53 1fp3A1 GLU 365 H -0.25 -0.02 -0.18 -0.55 8.60 7.61 1fp3A1 GLU 365 HA -0.53 0.16 0.40 -0.75 4.29 3.56 1fp3A1 GLU 365 HB2 -0.22 -0.10 -0.00 -0.04 2.09 1.73 1fp3A1 GLU 365 HB3 -0.26 0.08 0.11 -0.04 1.99 1.88 1fp3A1 GLU 365 HG2 -0.25 0.02 0.02 -0.04 2.34 2.08 1fp3A1 GLU 365 HG3 -0.85 0.06 -0.00 -0.04 2.34 1.52 1fp3A1 GLY 366 H -0.17 0.47 -0.77 -0.55 8.43 7.41 1fp3A1 GLY 366 HA2 -0.22 0.04 0.20 -0.51 4.01 3.51 1fp3A1 GLY 366 HA3 -0.19 0.18 0.55 -0.51 4.01 4.05 1fp3A1 LYS 367 H -0.17 -0.10 -0.26 -0.55 8.42 7.33 1fp3A1 LYS 367 HA -0.19 0.20 0.57 -0.75 4.32 4.16 1fp3A1 LYS 367 HB2 -0.14 -0.14 -0.01 -0.04 1.87 1.54 1fp3A1 LYS 367 HB3 -0.14 0.07 -0.01 -0.04 1.79 1.67 1fp3A1 LYS 367 HG2 -0.13 0.06 -0.17 -0.04 1.46 1.17 1fp3A1 LYS 367 HG3 -0.11 -0.03 -0.04 -0.04 1.46 1.23 1fp3A1 LYS 367 HD2 -0.13 0.02 0.03 -0.04 1.69 1.57 1fp3A1 LYS 367 HD3 -0.11 0.06 -0.05 -0.04 1.68 1.55 1fp3A1 LYS 367 HE2 -0.08 -0.01 -0.01 -0.04 2.99 2.85 1fp3A1 LYS 367 HE3 -0.09 -0.03 -0.01 -0.04 2.99 2.82 1fp3A1 VAL 368 H -0.24 0.16 0.15 -0.55 8.24 7.76 1fp3A1 VAL 368 HA -0.26 0.12 0.52 -0.75 4.13 3.76 1fp3A1 VAL 368 HB -0.38 -0.05 0.14 -0.04 2.12 1.79 1fp3A1 VAL 368 HG13 -0.57 -0.01 -0.27 -0.04 0.97 0.08 1fp3A1 VAL 368 HG23 -0.77 0.03 0.07 -0.04 0.95 0.25 1fp3A1 ALA 369 H -0.07 0.57 0.53 -0.55 8.40 8.88 1fp3A1 ALA 369 HA -0.07 0.11 0.66 -0.75 4.34 4.28 1fp3A1 ALA 369 HB3 -0.01 -0.03 -0.14 -0.04 1.41 1.19 1fp3A1 LEU 370 H 0.04 0.48 0.22 -0.55 8.37 8.57 1fp3A1 LEU 370 HA -0.02 0.15 0.86 -0.75 4.35 4.58 1fp3A1 LEU 370 HB2 0.15 -0.04 0.14 -0.04 1.64 1.84 1fp3A1 LEU 370 HB3 0.04 -0.09 0.05 -0.04 1.64 1.60 1fp3A1 LEU 370 HG -0.07 0.07 0.03 -0.04 1.64 1.63 1fp3A1 LEU 370 HD13 -0.06 0.01 -0.35 -0.04 0.93 0.48 1fp3A1 LEU 370 HD23 -0.30 -0.01 -0.03 -0.04 0.89 0.51 1fp3A1 THR 371 H -0.00 0.15 0.11 -0.55 8.28 7.99 1fp3A1 THR 371 HA 0.23 0.23 0.66 -0.75 4.39 4.76 1fp3A1 THR 371 HB 0.17 -0.02 0.16 -0.04 4.32 4.59 1fp3A1 THR 371 HG23 -0.04 0.03 -0.03 -0.04 1.22 1.14 1fp3A1 ILE 372 H 0.08 -0.04 -0.24 -0.55 8.25 7.50 1fp3A1 ILE 372 HA 0.05 -0.01 0.43 -0.75 4.18 3.89 1fp3A1 ILE 372 HB 0.17 0.28 0.09 -0.04 1.89 2.38 1fp3A1 ILE 372 HG12 0.12 -0.11 -0.02 -0.04 1.49 1.44 1fp3A1 ILE 372 HG13 0.19 0.01 -0.23 -0.04 1.21 1.15 1fp3A1 ILE 372 HG23 -0.22 -0.04 0.02 -0.04 0.93 0.64 1fp3A1 ILE 372 HD13 0.06 -0.00 -0.09 -0.04 0.88 0.82 1fp3A1 LYS 373 H 0.05 0.48 0.14 -0.55 8.42 8.53 1fp3A1 LYS 373 HA -0.15 0.20 0.67 -0.75 4.32 4.28 1fp3A1 LYS 373 HB2 -0.09 0.05 -0.05 -0.04 1.87 1.74 1fp3A1 LYS 373 HB3 -0.60 -0.09 0.03 -0.04 1.79 1.08 1fp3A1 LYS 373 HG2 -0.19 -0.12 -0.07 -0.04 1.46 1.04 1fp3A1 LYS 373 HG3 -0.48 0.13 -0.02 -0.04 1.46 1.04 1fp3A1 LYS 373 HD2 -0.60 -0.05 -0.17 -0.04 1.69 0.83 1fp3A1 LYS 373 HD3 -0.41 0.00 -0.34 -0.04 1.68 0.89 1fp3A1 LYS 373 HE2 -0.88 -0.07 -0.18 -0.04 2.99 1.82 1fp3A1 LYS 373 HE3 -0.78 -0.08 -0.06 -0.04 2.99 2.03 1fp3A1 GLY 374 H 0.15 0.34 0.21 -0.55 8.43 8.59 1fp3A1 GLY 374 HA2 0.20 0.05 0.64 -0.51 4.01 4.40 1fp3A1 GLY 374 HA3 0.30 0.17 0.47 -0.51 4.01 4.45 1fp3A1 GLY 375 H 0.16 0.49 0.27 -0.55 8.43 8.81 1fp3A1 GLY 375 HA2 0.13 0.06 0.36 -0.51 4.01 4.04 1fp3A1 GLY 375 HA3 0.17 0.03 0.36 -0.51 4.01 4.07 1fp3A1 PRO 376 HA -1.88 0.07 0.41 -0.51 4.44 2.53 1fp3A1 PRO 376 HB2 -0.97 0.03 -0.02 -0.04 2.28 1.28 1fp3A1 PRO 376 HB3 -0.98 0.04 0.06 -0.04 2.02 1.11 1fp3A1 PRO 376 HG2 -0.01 0.08 0.05 -0.04 2.03 2.11 1fp3A1 PRO 376 HG3 -0.15 0.06 0.05 -0.04 2.03 1.95 1fp3A1 PRO 376 HD2 0.07 0.09 0.14 -0.04 3.68 3.94 1fp3A1 PRO 376 HD3 0.08 0.17 0.20 -0.04 3.65 4.06 1fp3A1 PHE 377 H 0.12 0.07 -0.26 -0.55 8.34 7.72 1fp3A1 PHE 377 HA 0.07 0.24 0.92 -0.75 4.62 5.09 1fp3A1 PHE 377 HB2 0.38 0.01 -0.04 -0.04 3.15 3.47 1fp3A1 PHE 377 HB3 0.32 0.00 0.11 -0.04 3.06 3.46 1fp3A1 PHE 377 HD2 0.01 -0.00 -0.07 -0.04 7.28 7.18 1fp3A1 PHE 377 HE2 -0.08 0.01 -0.07 -0.04 7.38 7.20 1fp3A1 PHE 377 HZ -0.01 0.02 -0.07 -0.04 7.32 7.22 1fp3A1 LYS 378 H 0.15 0.17 -0.22 -0.55 8.42 7.97 1fp3A1 LYS 378 HA 0.41 0.13 0.97 -0.75 4.32 5.07 1fp3A1 LYS 378 HB2 -0.37 -0.03 -0.16 -0.04 1.87 1.27 1fp3A1 LYS 378 HB3 0.01 -0.10 0.03 -0.04 1.79 1.69 1fp3A1 LYS 378 HG2 -0.07 0.22 -0.12 -0.04 1.46 1.45 1fp3A1 LYS 378 HG3 -0.60 -0.11 0.07 -0.04 1.46 0.78 1fp3A1 LYS 378 HD2 -1.68 -0.17 -0.06 -0.04 1.69 -0.26 1fp3A1 LYS 378 HD3 -0.39 0.05 -0.26 -0.04 1.68 1.04 1fp3A1 LYS 378 HE2 -1.54 -0.20 -0.04 -0.04 2.99 1.17 1fp3A1 LYS 378 HE3 -0.63 0.08 -0.35 -0.04 2.99 2.05 1fp3A1 GLY 379 H 0.23 0.06 0.08 -0.55 8.43 8.25 1fp3A1 GLY 379 HA2 0.10 0.31 0.89 -0.51 4.01 4.80 1fp3A1 GLY 379 HA3 -0.14 -0.01 0.30 -0.51 4.01 3.65 1fp3A1 CYS 380 H -0.94 0.23 0.07 -0.55 8.50 7.31 1fp3A1 CYS 380 HA -0.99 0.12 0.62 -0.75 4.58 3.58 1fp3A1 CYS 380 HB2 -2.35 0.05 0.11 -0.04 2.97 0.75 1fp3A1 CYS 380 HB3 -0.80 -0.00 0.24 -0.04 2.97 2.36 1fp3A1 PHE 381 H 0.02 0.23 -0.12 -0.55 8.34 7.91 1fp3A1 PHE 381 HA -0.03 0.25 0.67 -0.75 4.62 4.76 1fp3A1 PHE 381 HB2 -0.19 0.06 -0.44 -0.04 3.15 2.54 1fp3A1 PHE 381 HB3 -0.14 -0.17 -0.02 -0.04 3.06 2.68 1fp3A1 PHE 381 HD2 -0.34 0.04 -0.02 -0.04 7.28 6.92 1fp3A1 PHE 381 HE2 -0.75 0.03 -0.07 -0.04 7.38 6.55 1fp3A1 PHE 381 HZ -0.26 0.04 -0.09 -0.04 7.32 6.97 1fp3A1 HIS 382 H 0.22 0.13 0.08 -0.55 8.41 8.30 1fp3A1 HIS 382 HA -0.24 0.11 0.34 -0.75 4.63 4.08 1fp3A1 HIS 382 HB2 0.52 -0.02 0.15 -0.04 3.26 3.86 1fp3A1 HIS 382 HB3 0.06 0.04 -0.04 -0.04 3.20 3.22 1fp3A1 HIS 382 HD2 0.25 0.03 0.06 -0.04 6.97 7.27 1fp3A1 HIS 382 HE1 -0.14 0.04 -0.05 -0.04 7.75 7.56 1fp3A1 VAL 383 H 0.20 0.09 -0.11 -0.55 8.24 7.87 1fp3A1 VAL 383 HA -0.27 0.09 0.46 -0.75 4.13 3.65 1fp3A1 VAL 383 HB -0.22 0.05 0.13 -0.04 2.12 2.04 1fp3A1 VAL 383 HG13 -1.46 0.01 -0.14 -0.04 0.97 -0.66 1fp3A1 VAL 383 HG23 -0.12 0.00 0.02 -0.04 0.95 0.81 1fp3A1 PRO 384 HA -0.08 0.04 0.29 -0.51 4.44 4.18 1fp3A1 PRO 384 HB2 -0.08 0.11 -0.10 -0.04 2.28 2.17 1fp3A1 PRO 384 HB3 -0.05 0.05 -0.01 -0.04 2.02 1.98 1fp3A1 PRO 384 HG2 -0.04 0.15 -0.25 -0.04 2.03 1.85 1fp3A1 PRO 384 HG3 -0.14 0.05 -0.14 -0.04 2.03 1.76 1fp3A1 PRO 384 HD2 -0.03 -0.22 -0.24 -0.04 3.68 3.15 1fp3A1 PRO 384 HD3 -0.05 0.17 0.07 -0.04 3.65 3.79 1fp3A1 ARG 385 H -0.07 0.64 -0.35 -0.55 8.46 8.12 1fp3A1 ARG 385 HA 0.06 0.06 0.41 -0.75 4.34 4.12 1fp3A1 ARG 385 HB2 -0.01 0.01 0.01 -0.04 1.90 1.87 1fp3A1 ARG 385 HB3 -0.23 0.04 0.01 -0.04 1.80 1.58 1fp3A1 ARG 385 HG2 0.13 -0.04 -0.08 -0.04 1.67 1.64 1fp3A1 ARG 385 HG3 0.34 0.01 -0.06 -0.04 1.67 1.92 1fp3A1 ARG 385 HD2 -0.23 -0.02 -0.13 -0.04 3.22 2.80 1fp3A1 ARG 385 HD3 0.11 -0.01 -0.19 -0.04 3.22 3.10 1fp3A1 CYS 386 H -0.04 0.43 -0.20 -0.55 8.50 8.15 1fp3A1 CYS 386 HA -0.04 0.01 0.43 -0.75 4.58 4.23 1fp3A1 CYS 386 HB2 0.05 -0.03 0.08 -0.04 2.97 3.04 1fp3A1 CYS 386 HB3 0.01 0.26 0.33 -0.04 2.97 3.53 1fp3A1 LEU 387 H 0.01 0.53 -0.06 -0.55 8.37 8.30 1fp3A1 LEU 387 HA 0.20 0.01 0.39 -0.75 4.35 4.20 1fp3A1 LEU 387 HB2 0.06 0.04 0.08 -0.04 1.64 1.78 1fp3A1 LEU 387 HB3 0.20 0.09 0.04 -0.04 1.64 1.93 1fp3A1 LEU 387 HG -0.03 0.13 0.02 -0.04 1.64 1.72 1fp3A1 LEU 387 HD13 -0.01 -0.03 -0.20 -0.04 0.93 0.65 1fp3A1 LEU 387 HD23 0.54 -0.00 -0.01 -0.04 0.89 1.37 1fp3A1 ALA 388 H 0.02 0.56 -0.22 -0.55 8.40 8.21 1fp3A1 ALA 388 HA 0.06 0.02 0.39 -0.75 4.34 4.05 1fp3A1 ALA 388 HB3 -0.02 0.02 0.07 -0.04 1.41 1.44 1fp3A1 MET 389 H -0.01 0.65 -0.10 -0.55 8.47 8.46 1fp3A1 MET 389 HA -0.03 0.03 0.39 -0.75 4.52 4.15 1fp3A1 MET 389 HB2 -0.15 0.04 0.09 -0.04 2.15 2.09 1fp3A1 MET 389 HB3 -0.19 -0.05 0.01 -0.04 2.03 1.75 1fp3A1 MET 389 HG2 -0.01 -0.07 0.03 -0.04 2.63 2.54 1fp3A1 MET 389 HG3 -0.05 0.65 0.15 -0.04 2.56 3.27 1fp3A1 MET 389 HE3 0.04 0.00 -0.05 -0.04 2.10 2.05 1fp3A1 CYS 390 H 0.02 0.59 -0.22 -0.55 8.50 8.34 1fp3A1 CYS 390 HA -0.06 0.00 0.43 -0.75 4.58 4.21 1fp3A1 CYS 390 HB2 0.15 0.10 0.14 -0.04 2.97 3.32 1fp3A1 CYS 390 HB3 0.13 -0.06 -0.04 -0.04 2.97 2.95 1fp3A1 GLU 391 H 0.09 0.63 -0.15 -0.55 8.60 8.61 1fp3A1 GLU 391 HA 0.10 -0.04 0.38 -0.75 4.29 3.98 1fp3A1 GLU 391 HB2 0.13 -0.08 0.06 -0.04 2.09 2.17 1fp3A1 GLU 391 HB3 0.10 0.22 0.22 -0.04 1.99 2.48 1fp3A1 GLU 391 HG2 0.07 0.06 -0.18 -0.04 2.34 2.25 1fp3A1 GLU 391 HG3 0.08 -0.07 -0.15 -0.04 2.34 2.16 1fp3A1 GLU 392 H 0.02 0.48 -0.31 -0.55 8.60 8.25 1fp3A1 GLU 392 HA 0.02 0.03 0.45 -0.75 4.29 4.04 1fp3A1 GLU 392 HB2 -0.01 0.09 0.17 -0.04 2.09 2.30 1fp3A1 GLU 392 HB3 0.00 -0.03 -0.00 -0.04 1.99 1.92 1fp3A1 GLU 392 HG2 0.02 -0.04 -0.01 -0.04 2.34 2.27 1fp3A1 GLU 392 HG3 0.02 0.40 0.04 -0.04 2.34 2.76 1fp3A1 MET 393 H -0.03 0.69 0.02 -0.55 8.47 8.60 1fp3A1 MET 393 HA -0.04 0.01 0.34 -0.75 4.52 4.08 1fp3A1 MET 393 HB2 -0.10 0.07 0.16 -0.04 2.15 2.25 1fp3A1 MET 393 HB3 -0.10 -0.05 -0.06 -0.04 2.03 1.78 1fp3A1 MET 393 HG2 -0.06 -0.02 0.01 -0.04 2.63 2.51 1fp3A1 MET 393 HG3 -0.08 0.14 0.06 -0.04 2.56 2.64 1fp3A1 MET 393 HE3 -0.19 0.02 -0.13 -0.04 2.10 1.76 1fp3A1 LEU 394 H -0.02 0.77 -0.20 -0.55 8.37 8.37 1fp3A1 LEU 394 HA -0.02 -0.02 0.43 -0.75 4.35 3.99 1fp3A1 LEU 394 HB2 0.05 0.11 0.15 -0.04 1.64 1.91 1fp3A1 LEU 394 HB3 0.07 -0.05 -0.02 -0.04 1.64 1.59 1fp3A1 LEU 394 HG -0.07 0.13 0.01 -0.04 1.64 1.66 1fp3A1 LEU 394 HD13 0.17 -0.02 -0.21 -0.04 0.93 0.83 1fp3A1 LEU 394 HD23 -0.06 -0.02 -0.02 -0.04 0.89 0.75 1fp3A1 SER 395 H 0.03 0.60 -0.07 -0.55 8.46 8.47 1fp3A1 SER 395 HA 0.03 -0.07 0.31 -0.75 4.49 4.01 1fp3A1 SER 395 HB2 0.03 -0.02 0.17 -0.04 3.95 4.09 1fp3A1 SER 395 HB3 0.02 0.26 0.27 -0.04 3.93 4.43 1fp3A1 ALA 396 H -0.00 0.48 -0.38 -0.55 8.40 7.95 1fp3A1 ALA 396 HA -0.00 0.02 0.47 -0.75 4.34 4.07 1fp3A1 ALA 396 HB3 -0.02 0.02 0.05 -0.04 1.41 1.43 1fp3A1 LEU 397 H -0.01 0.54 -0.03 -0.55 8.37 8.33 1fp3A1 LEU 397 HA -0.02 0.05 0.50 -0.75 4.35 4.12 1fp3A1 LEU 397 HB2 0.01 0.09 0.29 -0.04 1.64 1.99 1fp3A1 LEU 397 HB3 0.05 -0.11 -0.01 -0.04 1.64 1.53 1fp3A1 LEU 397 HG -0.05 0.17 0.08 -0.04 1.64 1.80 1fp3A1 LEU 397 HD13 0.07 -0.04 -0.05 -0.04 0.93 0.87 1fp3A1 LEU 397 HD23 -0.12 -0.02 0.01 -0.04 0.89 0.73 1fp3A1 LEU 398 H 0.02 0.76 -0.03 -0.55 8.37 8.58 1fp3A1 LEU 398 HA 0.04 -0.01 0.43 -0.75 4.35 4.05 1fp3A1 LEU 398 HB2 0.03 0.15 -0.00 -0.04 1.64 1.77 1fp3A1 LEU 398 HB3 0.03 -0.05 0.08 -0.04 1.64 1.66 1fp3A1 LEU 398 HG 0.06 -0.02 -0.06 -0.04 1.64 1.58 1fp3A1 LEU 398 HD13 0.06 0.00 -0.25 -0.04 0.93 0.70 1fp3A1 LEU 398 HD23 0.06 -0.04 0.02 -0.04 0.89 0.89 1fp3A1 SER 399 H 0.01 0.35 -0.98 -0.55 8.46 7.28 1fp3A1 SER 399 HA 0.01 0.07 0.67 -0.75 4.49 4.48 1fp3A1 SER 399 HB2 0.00 0.22 0.17 -0.04 3.95 4.30 1fp3A1 SER 399 HB3 -0.00 0.07 0.06 -0.04 3.93 4.01 1fp3A1 ARG 400 H 0.01 0.43 -0.19 -0.55 8.46 8.15 1fp3A1 ARG 400 HA -0.00 0.17 0.84 -0.75 4.34 4.59 1fp3A1 ARG 400 HB2 -0.01 0.05 0.05 -0.04 1.90 1.95 1fp3A1 ARG 400 HB3 -0.01 -0.04 0.13 -0.04 1.80 1.84 1fp3A1 ARG 400 HG2 -0.01 0.01 -0.24 -0.04 1.67 1.38 1fp3A1 ARG 400 HG3 -0.02 0.18 0.07 -0.04 1.67 1.86 1fp3A1 ARG 400 HD2 -0.03 -0.04 0.02 -0.04 3.22 3.13 1fp3A1 ARG 400 HD3 -0.02 -0.04 -0.01 -0.04 3.22 3.11 1fp3A1 LEU 401 H 0.02 0.08 -0.15 -0.55 8.37 7.77 1fp3A1 LEU 401 HA 0.02 0.18 0.72 -0.75 4.35 4.51 1fp3A1 LEU 401 HB2 0.03 0.01 0.10 -0.04 1.64 1.75 1fp3A1 LEU 401 HB3 0.03 -0.03 -0.02 -0.04 1.64 1.59 1fp3A1 LEU 401 HG 0.05 0.03 0.04 -0.04 1.64 1.71 1fp3A1 LEU 401 HD13 0.04 0.04 -0.11 -0.04 0.93 0.85 1fp3A1 LEU 401 HD23 0.07 -0.01 -0.11 -0.04 0.89 0.80 1fp3A1 ALA 402 H 0.01 0.09 -0.31 -0.55 8.40 7.65 1fp3A1 ALA 402 HA 0.01 0.07 0.28 -0.75 4.34 3.94 1fp3A1 ALA 402 HB3 0.01 0.06 0.06 -0.04 1.41 1.50