============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. TRP 3 1.040 -36.720 38.034 -40.608 -99.200 -91.000 TRP6 3 1.020 -34.649 36.903 -40.451 -99.200 -91.000 PHE 28 1.000 -38.663 39.268 -34.869 -99.200 -91.000 TYR 29 0.840 -47.615 33.788 -38.129 -99.200 -91.000 TYR 32 0.840 -43.779 29.236 -36.266 -99.200 -91.000 TYR 42 0.840 -42.088 29.759 -30.875 -99.200 -91.000 TYR 47 0.840 -44.560 33.688 -34.216 -99.200 -91.000 PHE 65 1.000 -45.635 50.591 -29.347 -99.200 -91.000 PHE 92 1.000 -52.685 24.055 -15.776 -99.200 -91.000 TYR 96 0.840 -50.775 31.088 -11.652 -99.200 -91.000 PHE 120 1.000 -43.559 18.192 -14.845 -99.200 -91.000 TYR 128 0.840 -34.535 12.282 -21.335 -99.200 -91.000 PHE 131 1.000 -46.287 17.812 -25.483 -99.200 -91.000 PHE 132 1.000 -42.638 19.489 -30.903 -99.200 -91.000 TRP 138 1.040 -26.051 28.235 -35.298 -99.200 -91.000 TRP6 138 1.020 -25.280 29.666 -37.011 -99.200 -91.000 PHE 178 1.000 -24.563 21.961 -26.314 -99.200 -91.000 TYR 188 0.840 -33.317 31.154 -5.330 -99.200 -91.000 TYR 194 0.840 -47.996 33.879 -8.349 -99.200 -91.000 PHE 199 1.000 -35.313 20.424 -12.031 -99.200 -91.000 PHE 209 1.000 -32.318 31.099 -23.559 -99.200 -91.000 TRP 226 1.040 -40.644 42.042 -2.598 -99.200 -91.000 TRP6 226 1.020 -42.564 43.323 -2.040 -99.200 -91.000 TRP 241 1.040 -28.874 45.173 -14.426 -99.200 -91.000 TRP6 241 1.020 -30.554 43.631 -13.835 -99.200 -91.000 PHE 260 1.000 -14.688 25.168 -13.137 -99.200 -91.000 PHE 261 1.000 -6.220 25.709 -14.853 -99.200 -91.000 TYR 263 0.840 -14.446 20.554 -13.805 -99.200 -91.000 PHE 273 1.000 -12.210 29.882 -20.671 -99.200 -91.000 PHE 276 1.000 -14.581 34.991 -23.292 -99.200 -91.000 PHE 285 1.000 -12.164 42.558 -18.896 -99.200 -91.000 HIS 294 0.900 -14.907 22.458 -0.236 -99.200 -91.000 TYR 297 0.840 -16.089 16.533 -3.363 -99.200 -91.000 TYR 302 0.840 -28.580 20.482 -10.634 -99.200 -91.000 TYR 303 0.840 -27.758 15.763 -12.197 -99.200 -91.000 TYR 317 0.840 -47.439 18.923 -11.570 -99.200 -91.000 TYR 322 0.840 -53.115 20.966 -11.247 -99.200 -91.000 TYR 324 0.840 -52.900 10.953 -18.770 -99.200 -91.000 TYR 329 0.840 -59.910 6.071 -12.127 -99.200 -91.000 PHE 333 1.000 -51.118 2.580 -4.674 -99.200 -91.000 TYR 336 0.840 -53.801 10.113 -5.547 -99.200 -91.000 PHE 344 1.000 -45.037 12.980 -13.080 -99.200 -91.000 PHE 357 1.000 -32.073 5.955 -1.345 -99.200 -91.000 TYR 363 0.840 -31.577 4.726 2.967 -99.200 -91.000 TYR 364 0.840 -33.325 15.404 5.532 -99.200 -91.000 TYR 367 0.840 -28.064 9.168 -0.650 -99.200 -91.000 TYR 368 0.840 -32.751 18.586 0.515 -99.200 -91.000 PHE 382 1.000 -18.424 29.391 -7.423 -99.200 -91.000 PHE 386 1.000 -17.461 35.685 -7.320 -99.200 -91.000 PHE 402 1.000 -25.439 16.591 -26.088 -99.200 -91.000 PHE 404 1.000 -31.638 15.897 -32.019 -99.200 -91.000 TYR 415 0.840 -28.443 12.608 -14.678 -99.200 -91.000 TRP 438 1.040 -19.922 31.020 -34.459 -99.200 -91.000 TRP6 438 1.020 -21.996 29.992 -34.682 -99.200 -91.000 HIS 452 0.900 -24.344 35.344 -3.754 -99.200 -91.000 TRP 453 1.040 -27.683 40.338 -4.277 -99.200 -91.000 TRP6 453 1.020 -29.795 39.439 -4.868 -99.200 -91.000 TYR 463 0.840 -22.190 47.560 -25.295 -99.200 -91.000 TRP 465 1.040 -17.151 37.808 -26.663 -99.200 -91.000 TRP6 465 1.020 -14.920 37.474 -27.341 -99.200 -91.000 PHE 469 1.000 -17.153 35.992 -32.201 -99.200 -91.000 HIS 471 0.900 -22.471 37.550 -29.703 -99.200 -91.000 TYR 472 0.840 -23.824 42.132 -33.277 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h0rA1 MET 1 HA -0.19 -0.00 0.12 -0.75 4.52 3.70 3h0rA1 MET 1 HB2 -0.30 0.04 0.04 -0.04 2.15 1.89 3h0rA1 MET 1 HB3 -0.76 -0.00 0.03 -0.04 2.03 1.26 3h0rA1 MET 1 HG2 -0.09 -0.03 0.11 -0.04 2.63 2.58 3h0rA1 MET 1 HG3 -0.08 0.00 0.04 -0.04 2.56 2.48 3h0rA1 MET 1 HE3 0.17 -0.01 0.03 -0.04 2.10 2.25 3h0rA1 LEU 2 H -0.23 0.27 0.00 -0.55 8.37 7.86 3h0rA1 LEU 2 HA -0.10 0.01 0.36 -0.75 4.35 3.86 3h0rA1 LEU 2 HB2 -0.07 -0.02 -0.37 -0.04 1.64 1.14 3h0rA1 LEU 2 HB3 -0.07 0.06 0.24 -0.04 1.64 1.83 3h0rA1 LEU 2 HG 0.01 0.02 -0.10 -0.04 1.64 1.54 3h0rA1 LEU 2 HD13 0.01 -0.01 -0.05 -0.04 0.93 0.84 3h0rA1 LEU 2 HD23 0.03 -0.01 -0.14 -0.04 0.89 0.73 3h0rA1 TRP 3 H -0.30 0.46 0.15 -0.55 7.97 7.73 3h0rA1 TRP 3 HA -1.39 0.09 0.57 -0.75 4.62 3.13 3h0rA1 TRP 3 HB2 -0.80 0.21 0.08 -0.04 3.23 2.69 3h0rA1 TRP 3 HB3 -0.86 -0.13 -0.14 -0.04 3.23 2.07 3h0rA1 TRP 3 HD1 -0.18 -0.04 0.09 -0.04 7.22 7.05 3h0rA1 TRP 3 HE1 -0.08 -0.06 0.02 -0.04 10.20 10.04 3h0rA1 TRP 3 HE3 0.00 0.05 -0.30 -0.04 7.59 7.31 3h0rA1 TRP 3 HZ2 -0.04 -0.06 -0.03 -0.04 7.44 7.27 3h0rA1 TRP 3 HZ3 0.03 0.07 -0.11 -0.04 7.13 7.08 3h0rA1 TRP 3 HH2 -0.02 0.02 -0.08 -0.04 7.19 7.07 3h0rA1 LYS 4 H -0.77 -0.03 -0.71 -0.55 8.42 6.36 3h0rA1 LYS 4 HA -0.24 0.25 0.54 -0.75 4.32 4.11 3h0rA1 LYS 4 HB2 -1.32 -0.02 -0.07 -0.04 1.87 0.41 3h0rA1 LYS 4 HB3 -0.48 0.01 -0.10 -0.04 1.79 1.18 3h0rA1 LYS 4 HG2 -0.19 -0.04 0.08 -0.04 1.46 1.28 3h0rA1 LYS 4 HG3 -0.35 0.10 0.01 -0.04 1.46 1.17 3h0rA1 LYS 4 HD2 -0.26 -0.04 -0.02 -0.04 1.69 1.32 3h0rA1 LYS 4 HD3 -0.16 0.03 -0.01 -0.04 1.68 1.50 3h0rA1 LYS 4 HE2 -0.38 0.08 -0.05 -0.04 2.99 2.60 3h0rA1 LYS 4 HE3 -0.82 -0.03 -0.04 -0.04 2.99 2.05 3h0rA1 LYS 5 H -0.09 0.40 -0.53 -0.55 8.42 7.65 3h0rA1 LYS 5 HA -0.00 0.14 0.82 -0.75 4.32 4.52 3h0rA1 LYS 5 HB2 0.01 0.19 0.09 -0.04 1.87 2.12 3h0rA1 LYS 5 HB3 0.03 -0.13 0.04 -0.04 1.79 1.69 3h0rA1 LYS 5 HG2 -0.06 0.08 -0.11 -0.04 1.46 1.33 3h0rA1 LYS 5 HG3 -0.10 -0.17 -0.04 -0.04 1.46 1.11 3h0rA1 LYS 5 HD2 -0.01 0.02 -0.07 -0.04 1.69 1.59 3h0rA1 LYS 5 HD3 -0.01 -0.06 -0.04 -0.04 1.68 1.53 3h0rA1 LYS 5 HE2 -0.06 -0.02 -0.02 -0.04 2.99 2.86 3h0rA1 LYS 5 HE3 -0.02 -0.00 -0.03 -0.04 2.99 2.90 3h0rA1 SER 6 H 0.04 0.04 0.17 -0.55 8.46 8.16 3h0rA1 SER 6 HA 0.12 0.28 0.63 -0.75 4.49 4.76 3h0rA1 SER 6 HB2 0.04 -0.10 0.20 -0.04 3.95 4.04 3h0rA1 SER 6 HB3 0.01 0.20 0.13 -0.04 3.93 4.23 3h0rA1 LEU 7 H 0.09 0.15 0.18 -0.55 8.37 8.24 3h0rA1 LEU 7 HA 0.10 0.18 0.34 -0.75 4.35 4.22 3h0rA1 LEU 7 HB2 0.07 -0.07 0.06 -0.04 1.64 1.66 3h0rA1 LEU 7 HB3 0.08 0.10 0.07 -0.04 1.64 1.85 3h0rA1 LEU 7 HG 0.09 -0.09 0.12 -0.04 1.64 1.71 3h0rA1 LEU 7 HD13 0.07 0.03 0.02 -0.04 0.93 1.00 3h0rA1 LEU 7 HD23 0.09 0.03 -0.03 -0.04 0.89 0.93 3h0rA1 SER 8 H 0.06 0.02 -0.18 -0.55 8.46 7.80 3h0rA1 SER 8 HA 0.05 0.17 0.52 -0.75 4.49 4.47 3h0rA1 SER 8 HB2 0.03 -0.01 0.01 -0.04 3.95 3.95 3h0rA1 SER 8 HB3 0.04 0.09 0.01 -0.04 3.93 4.03 3h0rA1 GLU 9 H 0.04 0.01 -0.21 -0.55 8.60 7.89 3h0rA1 GLU 9 HA 0.03 0.08 0.42 -0.75 4.29 4.07 3h0rA1 GLU 9 HB2 0.04 0.10 0.12 -0.04 2.09 2.31 3h0rA1 GLU 9 HB3 0.02 0.06 0.03 -0.04 1.99 2.06 3h0rA1 GLU 9 HG2 0.01 0.07 0.03 -0.04 2.34 2.41 3h0rA1 GLU 9 HG3 0.02 -0.13 0.05 -0.04 2.34 2.24 3h0rA1 LEU 10 H 0.08 0.63 -0.13 -0.55 8.37 8.40 3h0rA1 LEU 10 HA 0.08 0.04 0.35 -0.75 4.35 4.07 3h0rA1 LEU 10 HB2 0.12 0.02 0.01 -0.04 1.64 1.76 3h0rA1 LEU 10 HB3 0.12 0.00 -0.15 -0.04 1.64 1.58 3h0rA1 LEU 10 HG 0.15 -0.06 -0.06 -0.04 1.64 1.63 3h0rA1 LEU 10 HD13 0.09 0.05 -0.10 -0.04 0.93 0.94 3h0rA1 LEU 10 HD23 0.34 0.03 -0.10 -0.04 0.89 1.11 3h0rA1 ARG 11 H 0.08 0.50 -0.29 -0.55 8.46 8.21 3h0rA1 ARG 11 HA 0.13 0.03 0.34 -0.75 4.34 4.09 3h0rA1 ARG 11 HB2 0.09 0.04 0.11 -0.04 1.90 2.10 3h0rA1 ARG 11 HB3 0.07 0.02 0.21 -0.04 1.80 2.06 3h0rA1 ARG 11 HG2 0.06 -0.04 -0.27 -0.04 1.67 1.38 3h0rA1 ARG 11 HG3 0.09 0.01 -0.02 -0.04 1.67 1.71 3h0rA1 ARG 11 HD2 0.05 0.01 -0.04 -0.04 3.22 3.20 3h0rA1 ARG 11 HD3 0.08 0.10 0.00 -0.04 3.22 3.36 3h0rA1 GLU 12 H 0.06 0.50 -0.14 -0.55 8.60 8.47 3h0rA1 GLU 12 HA 0.04 0.03 0.43 -0.75 4.29 4.03 3h0rA1 GLU 12 HB2 0.04 0.09 0.13 -0.04 2.09 2.31 3h0rA1 GLU 12 HB3 0.03 0.04 0.06 -0.04 1.99 2.09 3h0rA1 GLU 12 HG2 0.02 -0.01 -0.03 -0.04 2.34 2.29 3h0rA1 GLU 12 HG3 0.03 -0.02 0.06 -0.04 2.34 2.36 3h0rA1 LEU 13 H 0.06 0.44 -0.25 -0.55 8.37 8.06 3h0rA1 LEU 13 HA 0.04 -0.00 0.44 -0.75 4.35 4.08 3h0rA1 LEU 13 HB2 0.06 0.18 0.11 -0.04 1.64 1.96 3h0rA1 LEU 13 HB3 0.06 -0.06 -0.12 -0.04 1.64 1.48 3h0rA1 LEU 13 HG 0.03 -0.05 -0.04 -0.04 1.64 1.55 3h0rA1 LEU 13 HD13 0.02 0.04 -0.02 -0.04 0.93 0.94 3h0rA1 LEU 13 HD23 0.02 -0.01 -0.09 -0.04 0.89 0.77 3h0rA1 LEU 14 H 0.11 0.42 -0.29 -0.55 8.37 8.06 3h0rA1 LEU 14 HA 0.17 0.21 0.50 -0.75 4.35 4.47 3h0rA1 LEU 14 HB2 0.23 0.08 0.14 -0.04 1.64 2.05 3h0rA1 LEU 14 HB3 0.54 -0.01 -0.04 -0.04 1.64 2.08 3h0rA1 LEU 14 HG 0.13 -0.03 -0.17 -0.04 1.64 1.53 3h0rA1 LEU 14 HD13 0.10 -0.03 -0.24 -0.04 0.93 0.72 3h0rA1 LEU 14 HD23 0.09 0.05 -0.30 -0.04 0.89 0.70 3h0rA1 LYS 15 H 0.08 0.59 -0.01 -0.55 8.42 8.52 3h0rA1 LYS 15 HA -0.06 0.04 0.44 -0.75 4.32 3.98 3h0rA1 LYS 15 HB2 0.02 0.09 0.09 -0.04 1.87 2.03 3h0rA1 LYS 15 HB3 0.02 0.02 0.14 -0.04 1.79 1.93 3h0rA1 LYS 15 HG2 -0.03 -0.03 -0.04 -0.04 1.46 1.32 3h0rA1 LYS 15 HG3 -0.03 -0.01 -0.03 -0.04 1.46 1.34 3h0rA1 LYS 15 HD2 0.00 -0.02 -0.04 -0.04 1.69 1.60 3h0rA1 LYS 15 HD3 0.01 0.02 -0.03 -0.04 1.68 1.63 3h0rA1 LYS 15 HE2 -0.01 0.00 -0.07 -0.04 2.99 2.88 3h0rA1 LYS 15 HE3 -0.01 -0.03 -0.03 -0.04 2.99 2.88 3h0rA1 ARG 16 H 0.03 0.36 -0.24 -0.55 8.46 8.06 3h0rA1 ARG 16 HA 0.01 0.15 0.74 -0.75 4.34 4.48 3h0rA1 ARG 16 HB2 0.02 0.10 0.13 -0.04 1.90 2.12 3h0rA1 ARG 16 HB3 0.01 -0.05 0.20 -0.04 1.80 1.92 3h0rA1 ARG 16 HG2 0.01 -0.03 0.02 -0.04 1.67 1.62 3h0rA1 ARG 16 HG3 0.01 -0.03 -0.16 -0.04 1.67 1.45 3h0rA1 ARG 16 HD2 0.02 0.11 0.04 -0.04 3.22 3.35 3h0rA1 ARG 16 HD3 0.01 -0.04 0.01 -0.04 3.22 3.17 3h0rA1 GLY 17 H 0.04 0.35 -0.62 -0.55 8.43 7.65 3h0rA1 GLY 17 HA2 0.06 0.14 0.32 -0.51 4.01 4.02 3h0rA1 GLY 17 HA3 0.03 -0.03 0.18 -0.51 4.01 3.68 3h0rA1 GLU 18 H 0.04 0.09 -0.63 -0.55 8.60 7.56 3h0rA1 GLU 18 HA 0.03 -0.00 0.40 -0.75 4.29 3.96 3h0rA1 GLU 18 HB2 0.03 0.02 0.12 -0.04 2.09 2.22 3h0rA1 GLU 18 HB3 0.03 -0.07 0.03 -0.04 1.99 1.93 3h0rA1 GLU 18 HG2 0.02 -0.06 0.05 -0.04 2.34 2.30 3h0rA1 GLU 18 HG3 0.02 0.12 0.04 -0.04 2.34 2.48 3h0rA1 VAL 19 H 0.07 0.49 -0.24 -0.55 8.24 8.01 3h0rA1 VAL 19 HA 0.05 0.12 0.66 -0.75 4.13 4.21 3h0rA1 VAL 19 HB 0.04 0.03 -0.12 -0.04 2.12 2.03 3h0rA1 VAL 19 HG13 0.07 -0.01 -0.31 -0.04 0.97 0.68 3h0rA1 VAL 19 HG23 0.06 0.02 -0.02 -0.04 0.95 0.96 3h0rA1 SER 20 H 0.06 0.05 0.14 -0.55 8.46 8.16 3h0rA1 SER 20 HA 0.11 0.37 0.93 -0.75 4.49 5.16 3h0rA1 SER 20 HB2 0.07 0.14 0.14 -0.04 3.95 4.26 3h0rA1 SER 20 HB3 0.06 0.08 0.02 -0.04 3.93 4.06 3h0rA1 PRO 21 HA -0.08 0.11 0.42 -0.51 4.44 4.37 3h0rA1 PRO 21 HB2 -0.08 0.01 0.09 -0.04 2.28 2.26 3h0rA1 PRO 21 HB3 -0.25 0.12 0.12 -0.04 2.02 1.97 3h0rA1 PRO 21 HG2 -0.12 0.30 0.12 -0.04 2.03 2.29 3h0rA1 PRO 21 HG3 -0.70 0.05 0.03 -0.04 2.03 1.37 3h0rA1 PRO 21 HD2 0.06 0.11 0.24 -0.04 3.68 4.05 3h0rA1 PRO 21 HD3 0.14 0.22 0.24 -0.04 3.65 4.21 3h0rA1 LYS 22 H 0.02 0.18 -0.24 -0.55 8.42 7.82 3h0rA1 LYS 22 HA 0.04 0.10 0.37 -0.75 4.32 4.08 3h0rA1 LYS 22 HB2 0.03 0.09 0.02 -0.04 1.87 1.96 3h0rA1 LYS 22 HB3 0.04 -0.03 0.01 -0.04 1.79 1.77 3h0rA1 LYS 22 HG2 0.05 -0.03 -0.11 -0.04 1.46 1.32 3h0rA1 LYS 22 HG3 0.05 -0.01 0.08 -0.04 1.46 1.54 3h0rA1 LYS 22 HD2 0.03 0.06 -0.00 -0.04 1.69 1.74 3h0rA1 LYS 22 HD3 0.03 -0.01 -0.02 -0.04 1.68 1.64 3h0rA1 LYS 22 HE2 0.04 -0.04 -0.03 -0.04 2.99 2.91 3h0rA1 LYS 22 HE3 0.04 0.02 -0.06 -0.04 2.99 2.95 3h0rA1 GLU 23 H 0.05 0.18 -0.22 -0.55 8.60 8.06 3h0rA1 GLU 23 HA 0.06 0.04 0.43 -0.75 4.29 4.06 3h0rA1 GLU 23 HB2 0.05 0.06 0.20 -0.04 2.09 2.36 3h0rA1 GLU 23 HB3 0.05 0.03 0.01 -0.04 1.99 2.04 3h0rA1 GLU 23 HG2 0.03 0.02 0.04 -0.04 2.34 2.40 3h0rA1 GLU 23 HG3 0.04 -0.05 0.02 -0.04 2.34 2.32 3h0rA1 VAL 24 H 0.08 0.45 -0.10 -0.55 8.24 8.12 3h0rA1 VAL 24 HA 0.16 -0.02 0.33 -0.75 4.13 3.85 3h0rA1 VAL 24 HB 0.12 0.22 0.16 -0.04 2.12 2.57 3h0rA1 VAL 24 HG13 0.30 -0.02 -0.05 -0.04 0.97 1.16 3h0rA1 VAL 24 HG23 0.08 0.06 -0.06 -0.04 0.95 0.99 3h0rA1 VAL 25 H 0.13 0.58 -0.09 -0.55 8.24 8.30 3h0rA1 VAL 25 HA 0.28 0.02 0.41 -0.75 4.13 4.08 3h0rA1 VAL 25 HB 0.13 0.07 0.07 -0.04 2.12 2.35 3h0rA1 VAL 25 HG13 0.16 -0.05 -0.08 -0.04 0.97 0.97 3h0rA1 VAL 25 HG23 0.05 0.14 -0.02 -0.04 0.95 1.08 3h0rA1 GLU 26 H 0.14 0.59 -0.14 -0.55 8.60 8.64 3h0rA1 GLU 26 HA 0.18 -0.06 0.43 -0.75 4.29 4.09 3h0rA1 GLU 26 HB2 0.08 0.14 0.27 -0.04 2.09 2.53 3h0rA1 GLU 26 HB3 0.04 -0.06 0.03 -0.04 1.99 1.96 3h0rA1 GLU 26 HG2 0.06 -0.08 0.05 -0.04 2.34 2.33 3h0rA1 GLU 26 HG3 0.09 0.13 0.07 -0.04 2.34 2.60 3h0rA1 SER 27 H 0.12 0.70 -0.09 -0.55 8.46 8.64 3h0rA1 SER 27 HA 0.10 -0.02 0.47 -0.75 4.49 4.28 3h0rA1 SER 27 HB2 0.06 0.01 0.12 -0.04 3.95 4.10 3h0rA1 SER 27 HB3 0.01 0.26 0.22 -0.04 3.93 4.37 3h0rA1 PHE 28 H 0.30 0.50 0.00 -0.55 8.34 8.58 3h0rA1 PHE 28 HA 0.05 0.10 0.49 -0.75 4.62 4.51 3h0rA1 PHE 28 HB2 0.21 0.02 0.17 -0.04 3.15 3.52 3h0rA1 PHE 28 HB3 0.24 0.21 0.04 -0.04 3.06 3.51 3h0rA1 PHE 28 HD2 0.18 0.17 -0.15 -0.04 7.28 7.43 3h0rA1 PHE 28 HE2 0.22 0.05 -0.06 -0.04 7.38 7.54 3h0rA1 PHE 28 HZ 0.18 0.08 0.04 -0.04 7.32 7.58 3h0rA1 TYR 29 H 0.18 0.62 -0.15 -0.55 8.29 8.38 3h0rA1 TYR 29 HA -1.09 -0.06 0.49 -0.75 4.56 3.15 3h0rA1 TYR 29 HB2 -0.11 0.19 0.14 -0.04 3.06 3.24 3h0rA1 TYR 29 HB3 -0.11 0.18 0.19 -0.04 2.98 3.19 3h0rA1 TYR 29 HD2 -0.12 0.01 0.02 -0.04 7.15 7.03 3h0rA1 TYR 29 HE2 0.05 -0.01 -0.06 -0.04 6.85 6.80 3h0rA1 ASP 30 H -0.01 0.62 -0.07 -0.55 8.40 8.39 3h0rA1 ASP 30 HA -0.13 -0.03 0.50 -0.75 4.63 4.22 3h0rA1 ASP 30 HB2 -0.04 0.17 0.24 -0.04 2.71 3.04 3h0rA1 ASP 30 HB3 -0.07 -0.03 0.07 -0.04 2.70 2.62 3h0rA1 ARG 31 H -0.26 0.53 -0.04 -0.55 8.46 8.14 3h0rA1 ARG 31 HA -0.51 -0.00 0.44 -0.75 4.34 3.51 3h0rA1 ARG 31 HB2 -1.55 -0.00 0.13 -0.04 1.90 0.45 3h0rA1 ARG 31 HB3 -0.44 0.13 0.19 -0.04 1.80 1.64 3h0rA1 ARG 31 HG2 -1.29 0.24 -0.17 -0.04 1.67 0.40 3h0rA1 ARG 31 HG3 -0.53 -0.14 -0.32 -0.04 1.67 0.65 3h0rA1 ARG 31 HD2 -0.74 -0.15 0.10 -0.04 3.22 2.39 3h0rA1 ARG 31 HD3 -2.36 -0.05 0.01 -0.04 3.22 0.77 3h0rA1 TYR 32 H -0.05 0.70 -0.11 -0.55 8.29 8.27 3h0rA1 TYR 32 HA -0.06 -0.06 0.61 -0.75 4.56 4.29 3h0rA1 TYR 32 HB2 -0.17 0.03 0.18 -0.04 3.06 3.06 3h0rA1 TYR 32 HB3 -0.44 0.24 0.31 -0.04 2.98 3.05 3h0rA1 TYR 32 HD2 0.03 0.06 0.04 -0.04 7.15 7.23 3h0rA1 TYR 32 HE2 0.07 -0.05 -0.00 -0.04 6.85 6.82 3h0rA1 ASN 33 H -0.07 0.61 -0.05 -0.55 8.53 8.48 3h0rA1 ASN 33 HA -0.38 -0.07 0.47 -0.75 4.76 4.03 3h0rA1 ASN 33 HB2 -0.13 0.18 0.23 -0.04 2.88 3.12 3h0rA1 ASN 33 HB3 -0.14 -0.07 0.06 -0.04 2.79 2.60 3h0rA1 ASN 33 HD21 0.16 -0.06 0.01 -0.04 7.03 7.10 3h0rA1 ASN 33 HD22 -0.09 -0.02 0.05 -0.04 7.74 7.64 3h0rA1 GLN 34 H -0.20 0.54 -0.14 -0.55 8.47 8.13 3h0rA1 GLN 34 HA -0.14 -0.01 0.53 -0.75 4.36 3.99 3h0rA1 GLN 34 HB2 -0.25 0.23 0.20 -0.04 2.15 2.29 3h0rA1 GLN 34 HB3 -0.15 -0.05 0.09 -0.04 2.02 1.86 3h0rA1 GLN 34 HG2 -0.12 -0.10 0.02 -0.04 2.40 2.17 3h0rA1 GLN 34 HG3 -0.20 0.31 -0.05 -0.04 2.39 2.41 3h0rA1 GLN 34 HE21 0.05 -0.00 -0.03 -0.04 6.97 6.95 3h0rA1 GLN 34 HE22 -0.14 -0.06 -0.22 -0.04 7.69 7.22 3h0rA1 THR 35 H -0.21 0.31 -0.25 -0.55 8.28 7.57 3h0rA1 THR 35 HA -0.13 0.15 0.37 -0.75 4.39 4.02 3h0rA1 THR 35 HB -0.10 -0.10 0.03 -0.04 4.32 4.12 3h0rA1 THR 35 HG23 -0.20 0.10 0.01 -0.04 1.22 1.08 3h0rA1 GLU 36 H -0.31 0.80 0.21 -0.55 8.60 8.75 3h0rA1 GLU 36 HA -0.04 -0.14 0.30 -0.75 4.29 3.65 3h0rA1 GLU 36 HB2 -0.81 0.12 0.20 -0.04 2.09 1.55 3h0rA1 GLU 36 HB3 -0.61 0.06 0.09 -0.04 1.99 1.50 3h0rA1 GLU 36 HG2 0.14 0.03 0.00 -0.04 2.34 2.47 3h0rA1 GLU 36 HG3 -0.03 0.07 -0.08 -0.04 2.34 2.26 3h0rA1 GLU 37 H -0.17 0.22 -0.23 -0.55 8.60 7.86 3h0rA1 GLU 37 HA -0.12 0.04 0.37 -0.75 4.29 3.83 3h0rA1 GLU 37 HB2 -0.12 -0.01 0.07 -0.04 2.09 1.98 3h0rA1 GLU 37 HB3 -0.10 0.06 0.01 -0.04 1.99 1.91 3h0rA1 GLU 37 HG2 -0.08 0.04 -0.11 -0.04 2.34 2.15 3h0rA1 GLU 37 HG3 -0.09 -0.03 0.04 -0.04 2.34 2.22 3h0rA1 LYS 38 H -0.09 0.28 -0.20 -0.55 8.42 7.87 3h0rA1 LYS 38 HA -0.05 0.08 0.59 -0.75 4.32 4.18 3h0rA1 LYS 38 HB2 -0.07 0.14 0.17 -0.04 1.87 2.07 3h0rA1 LYS 38 HB3 -0.04 -0.01 -0.03 -0.04 1.79 1.66 3h0rA1 LYS 38 HG2 -0.04 -0.04 0.00 -0.04 1.46 1.34 3h0rA1 LYS 38 HG3 -0.06 -0.06 -0.05 -0.04 1.46 1.25 3h0rA1 LYS 38 HD2 -0.07 0.06 0.04 -0.04 1.69 1.68 3h0rA1 LYS 38 HD3 -0.07 0.04 0.02 -0.04 1.68 1.63 3h0rA1 LYS 38 HE2 -0.04 -0.02 -0.02 -0.04 2.99 2.87 3h0rA1 LYS 38 HE3 -0.04 -0.04 -0.01 -0.04 2.99 2.85 3h0rA1 VAL 39 H -0.04 0.41 0.02 -0.55 8.24 8.08 3h0rA1 VAL 39 HA 0.03 0.12 0.24 -0.75 4.13 3.76 3h0rA1 VAL 39 HB 0.04 -0.15 0.02 -0.04 2.12 1.98 3h0rA1 VAL 39 HG13 0.06 0.00 -0.26 -0.04 0.97 0.74 3h0rA1 VAL 39 HG23 -0.03 0.05 -0.04 -0.04 0.95 0.90 3h0rA1 LYS 40 H 0.03 0.45 0.13 -0.55 8.42 8.48 3h0rA1 LYS 40 HA 0.10 -0.01 0.33 -0.75 4.32 3.98 3h0rA1 LYS 40 HB2 0.14 0.24 0.15 -0.04 1.87 2.36 3h0rA1 LYS 40 HB3 0.19 -0.08 0.12 -0.04 1.79 1.98 3h0rA1 LYS 40 HG2 -0.36 -0.10 -0.02 -0.04 1.46 0.94 3h0rA1 LYS 40 HG3 -0.09 0.14 -0.15 -0.04 1.46 1.31 3h0rA1 LYS 40 HD2 -0.02 0.10 -0.15 -0.04 1.69 1.57 3h0rA1 LYS 40 HD3 -0.11 -0.05 -0.03 -0.04 1.68 1.44 3h0rA1 LYS 40 HE2 -0.18 -0.13 0.00 -0.04 2.99 2.64 3h0rA1 LYS 40 HE3 -0.11 0.32 0.02 -0.04 2.99 3.18 3h0rA1 ALA 41 H 0.21 0.07 -0.03 -0.55 8.40 8.11 3h0rA1 ALA 41 HA 0.06 0.08 0.53 -0.75 4.34 4.26 3h0rA1 ALA 41 HB3 0.01 0.04 0.02 -0.04 1.41 1.45 3h0rA1 TYR 42 H 0.47 0.12 -0.13 -0.55 8.29 8.20 3h0rA1 TYR 42 HA 0.09 0.03 0.75 -0.75 4.56 4.68 3h0rA1 TYR 42 HB2 0.16 0.04 -0.06 -0.04 3.06 3.16 3h0rA1 TYR 42 HB3 0.04 -0.02 -0.26 -0.04 2.98 2.70 3h0rA1 TYR 42 HD2 0.07 -0.06 -0.20 -0.04 7.15 6.91 3h0rA1 TYR 42 HE2 -0.03 0.00 -0.22 -0.04 6.85 6.56 3h0rA1 ILE 43 H 0.16 0.48 0.30 -0.55 8.25 8.65 3h0rA1 ILE 43 HA 0.34 0.20 0.83 -0.75 4.18 4.80 3h0rA1 ILE 43 HB 0.10 -0.01 -0.01 -0.04 1.89 1.93 3h0rA1 ILE 43 HG12 0.09 0.09 0.02 -0.04 1.49 1.65 3h0rA1 ILE 43 HG13 -0.00 -0.03 -0.13 -0.04 1.21 1.01 3h0rA1 ILE 43 HG23 0.14 -0.01 -0.12 -0.04 0.93 0.89 3h0rA1 ILE 43 HD13 0.07 -0.02 0.01 -0.04 0.88 0.89 3h0rA1 THR 44 H 0.14 0.39 0.16 -0.55 8.28 8.43 3h0rA1 THR 44 HA 0.05 0.29 0.92 -0.75 4.39 4.90 3h0rA1 THR 44 HB 0.01 -0.08 0.17 -0.04 4.32 4.39 3h0rA1 THR 44 HG23 -0.01 0.03 0.00 -0.04 1.22 1.20 3h0rA1 PRO 45 HA -0.51 0.05 0.71 -0.51 4.44 4.19 3h0rA1 PRO 45 HB2 -0.31 -0.04 0.05 -0.04 2.28 1.94 3h0rA1 PRO 45 HB3 -0.62 0.05 0.11 -0.04 2.02 1.51 3h0rA1 PRO 45 HG2 -0.02 0.03 0.09 -0.04 2.03 2.09 3h0rA1 PRO 45 HG3 0.09 0.09 0.02 -0.04 2.03 2.19 3h0rA1 PRO 45 HD2 0.02 0.16 0.18 -0.04 3.68 4.00 3h0rA1 PRO 45 HD3 0.09 0.19 -0.25 -0.04 3.65 3.65 3h0rA1 LEU 46 H -0.57 0.80 0.37 -0.55 8.37 8.42 3h0rA1 LEU 46 HA -0.16 0.16 0.89 -0.75 4.35 4.48 3h0rA1 LEU 46 HB2 -0.22 -0.01 -0.48 -0.04 1.64 0.88 3h0rA1 LEU 46 HB3 -0.14 -0.01 0.05 -0.04 1.64 1.51 3h0rA1 LEU 46 HG -0.10 0.07 -0.34 -0.04 1.64 1.23 3h0rA1 LEU 46 HD13 -0.07 -0.00 -0.16 -0.04 0.93 0.65 3h0rA1 LEU 46 HD23 -0.07 0.05 -0.10 -0.04 0.89 0.73 3h0rA1 TYR 47 H -0.50 0.14 0.11 -0.55 8.29 7.49 3h0rA1 TYR 47 HA -0.28 0.11 0.44 -0.75 4.56 4.08 3h0rA1 TYR 47 HB2 -1.28 -0.05 0.10 -0.04 3.06 1.79 3h0rA1 TYR 47 HB3 -0.97 0.06 0.01 -0.04 2.98 2.03 3h0rA1 TYR 47 HD2 -0.64 -0.03 0.08 -0.04 7.15 6.52 3h0rA1 TYR 47 HE2 -0.87 0.02 -0.01 -0.04 6.85 5.95 3h0rA1 GLY 48 H -0.13 0.11 -0.25 -0.55 8.43 7.62 3h0rA1 GLY 48 HA2 0.12 0.09 0.39 -0.51 4.01 4.09 3h0rA1 GLY 48 HA3 0.03 0.07 0.24 -0.51 4.01 3.84 3h0rA1 LYS 49 H -0.06 0.11 -0.21 -0.55 8.42 7.72 3h0rA1 LYS 49 HA -0.01 0.04 0.39 -0.75 4.32 3.98 3h0rA1 LYS 49 HB2 -0.04 -0.05 0.08 -0.04 1.87 1.82 3h0rA1 LYS 49 HB3 -0.07 0.15 0.07 -0.04 1.79 1.91 3h0rA1 LYS 49 HG2 -0.03 -0.02 -0.00 -0.04 1.46 1.37 3h0rA1 LYS 49 HG3 -0.02 -0.02 0.02 -0.04 1.46 1.39 3h0rA1 LYS 49 HD2 -0.04 -0.02 -0.04 -0.04 1.69 1.54 3h0rA1 LYS 49 HD3 -0.05 0.05 -0.08 -0.04 1.68 1.56 3h0rA1 LYS 49 HE2 -0.03 -0.00 -0.05 -0.04 2.99 2.87 3h0rA1 LYS 49 HE3 -0.02 -0.02 -0.04 -0.04 2.99 2.87 3h0rA1 ALA 50 H -0.07 0.46 -0.24 -0.55 8.40 8.00 3h0rA1 ALA 50 HA -0.04 0.03 0.35 -0.75 4.34 3.92 3h0rA1 ALA 50 HB3 -0.08 0.06 -0.01 -0.04 1.41 1.34 3h0rA1 LEU 51 H 0.03 0.67 -0.09 -0.55 8.37 8.44 3h0rA1 LEU 51 HA 0.06 -0.00 0.45 -0.75 4.35 4.11 3h0rA1 LEU 51 HB2 0.09 0.20 0.26 -0.04 1.64 2.16 3h0rA1 LEU 51 HB3 0.06 -0.02 0.02 -0.04 1.64 1.66 3h0rA1 LEU 51 HG 0.09 -0.04 0.01 -0.04 1.64 1.65 3h0rA1 LEU 51 HD13 0.13 -0.01 0.03 -0.04 0.93 1.04 3h0rA1 LEU 51 HD23 0.22 -0.02 -0.04 -0.04 0.89 1.02 3h0rA1 LYS 52 H 0.02 0.36 -0.20 -0.55 8.42 8.04 3h0rA1 LYS 52 HA 0.02 0.01 0.42 -0.75 4.32 4.01 3h0rA1 LYS 52 HB2 0.01 0.14 0.15 -0.04 1.87 2.13 3h0rA1 LYS 52 HB3 0.01 -0.02 -0.04 -0.04 1.79 1.69 3h0rA1 LYS 52 HG2 0.02 -0.03 0.03 -0.04 1.46 1.44 3h0rA1 LYS 52 HG3 0.02 0.02 0.03 -0.04 1.46 1.49 3h0rA1 LYS 52 HD2 0.01 0.01 -0.00 -0.04 1.69 1.66 3h0rA1 LYS 52 HD3 0.01 -0.01 -0.01 -0.04 1.68 1.63 3h0rA1 LYS 52 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.94 3h0rA1 LYS 52 HE3 0.01 -0.01 -0.03 -0.04 2.99 2.92 3h0rA1 GLN 53 H -0.00 0.43 -0.18 -0.55 8.47 8.17 3h0rA1 GLN 53 HA 0.00 -0.00 0.40 -0.75 4.36 4.00 3h0rA1 GLN 53 HB2 -0.02 0.09 0.13 -0.04 2.15 2.31 3h0rA1 GLN 53 HB3 -0.01 0.00 0.01 -0.04 2.02 1.98 3h0rA1 GLN 53 HG2 -0.01 -0.06 0.01 -0.04 2.40 2.30 3h0rA1 GLN 53 HG3 -0.01 0.12 0.05 -0.04 2.39 2.50 3h0rA1 GLN 53 HE21 -0.03 -0.07 -0.02 -0.04 6.97 6.81 3h0rA1 GLN 53 HE22 -0.02 0.05 -0.02 -0.04 7.69 7.67 3h0rA1 ALA 54 H 0.00 0.45 -0.35 -0.55 8.40 7.95 3h0rA1 ALA 54 HA -0.04 0.10 0.40 -0.75 4.34 4.04 3h0rA1 ALA 54 HB3 -0.01 0.01 -0.03 -0.04 1.41 1.35 3h0rA1 GLU 55 H 0.02 0.32 -0.28 -0.55 8.60 8.11 3h0rA1 GLU 55 HA 0.03 0.01 0.41 -0.75 4.29 3.98 3h0rA1 GLU 55 HB2 0.02 0.20 0.16 -0.04 2.09 2.43 3h0rA1 GLU 55 HB3 0.02 -0.04 0.01 -0.04 1.99 1.94 3h0rA1 GLU 55 HG2 0.03 -0.04 0.06 -0.04 2.34 2.34 3h0rA1 GLU 55 HG3 0.03 0.04 0.06 -0.04 2.34 2.43 3h0rA1 SER 56 H 0.02 0.26 -0.34 -0.55 8.46 7.85 3h0rA1 SER 56 HA 0.03 0.06 0.50 -0.75 4.49 4.33 3h0rA1 SER 56 HB2 0.03 -0.08 0.11 -0.04 3.95 3.97 3h0rA1 SER 56 HB3 0.02 -0.06 0.05 -0.04 3.93 3.90 3h0rA1 LEU 57 H 0.03 0.33 -0.49 -0.55 8.37 7.70 3h0rA1 LEU 57 HA 0.09 -0.04 0.55 -0.75 4.35 4.19 3h0rA1 LEU 57 HB2 -0.02 0.03 0.21 -0.04 1.64 1.81 3h0rA1 LEU 57 HB3 -0.06 -0.03 0.10 -0.04 1.64 1.61 3h0rA1 LEU 57 HG -0.01 -0.05 -0.00 -0.04 1.64 1.54 3h0rA1 LEU 57 HD13 -0.28 0.07 0.05 -0.04 0.93 0.73 3h0rA1 LEU 57 HD23 0.13 -0.04 0.02 -0.04 0.89 0.96 3h0rA1 LYS 58 H 0.17 -0.01 0.23 -0.55 8.42 8.25 3h0rA1 LYS 58 HA 0.22 0.32 1.15 -0.75 4.32 5.25 3h0rA1 LYS 58 HB2 0.07 0.00 0.05 -0.04 1.87 1.95 3h0rA1 LYS 58 HB3 0.05 -0.08 -0.03 -0.04 1.79 1.69 3h0rA1 LYS 58 HG2 0.09 0.12 -0.05 -0.04 1.46 1.58 3h0rA1 LYS 58 HG3 0.07 0.07 -0.27 -0.04 1.46 1.29 3h0rA1 LYS 58 HD2 0.04 -0.04 -0.02 -0.04 1.69 1.62 3h0rA1 LYS 58 HD3 0.03 -0.06 -0.00 -0.04 1.68 1.61 3h0rA1 LYS 58 HE2 0.05 0.05 0.01 -0.04 2.99 3.07 3h0rA1 LYS 58 HE3 0.04 0.01 -0.01 -0.04 2.99 2.99 3h0rA1 GLU 59 H 0.10 0.06 0.17 -0.55 8.60 8.38 3h0rA1 GLU 59 HA -0.10 0.03 0.49 -0.75 4.29 3.96 3h0rA1 GLU 59 HB2 0.01 0.02 0.15 -0.04 2.09 2.22 3h0rA1 GLU 59 HB3 0.04 0.06 0.21 -0.04 1.99 2.25 3h0rA1 GLU 59 HG2 -0.05 -0.15 -0.16 -0.04 2.34 1.95 3h0rA1 GLU 59 HG3 -0.05 -0.00 0.04 -0.04 2.34 2.29 3h0rA1 ARG 60 H -0.35 0.16 0.30 -0.55 8.46 8.02 3h0rA1 ARG 60 HA -2.30 0.14 0.23 -0.75 4.34 1.66 3h0rA1 ARG 60 HB2 -0.33 -0.06 0.13 -0.04 1.90 1.60 3h0rA1 ARG 60 HB3 -0.51 -0.02 0.04 -0.04 1.80 1.28 3h0rA1 ARG 60 HG2 -0.70 0.05 0.04 -0.04 1.67 1.02 3h0rA1 ARG 60 HG3 -0.50 0.19 0.19 -0.04 1.67 1.50 3h0rA1 ARG 60 HD2 -0.15 -0.11 0.13 -0.04 3.22 3.05 3h0rA1 ARG 60 HD3 -0.13 0.12 0.19 -0.04 3.22 3.36 3h0rA1 GLU 61 H -0.16 -0.00 -0.19 -0.55 8.60 7.69 3h0rA1 GLU 61 HA -0.06 0.16 0.45 -0.75 4.29 4.10 3h0rA1 GLU 61 HB2 -0.07 -0.04 0.07 -0.04 2.09 2.01 3h0rA1 GLU 61 HB3 -0.03 -0.01 -0.01 -0.04 1.99 1.90 3h0rA1 GLU 61 HG2 -0.01 0.02 0.12 -0.04 2.34 2.42 3h0rA1 GLU 61 HG3 -0.03 0.02 0.03 -0.04 2.34 2.32 3h0rA1 LEU 62 H -0.01 0.19 -0.45 -0.55 8.37 7.55 3h0rA1 LEU 62 HA 0.05 0.05 0.52 -0.75 4.35 4.21 3h0rA1 LEU 62 HB2 0.17 0.19 0.07 -0.04 1.64 2.02 3h0rA1 LEU 62 HB3 0.15 0.13 -0.24 -0.04 1.64 1.64 3h0rA1 LEU 62 HG 0.07 0.08 -0.04 -0.04 1.64 1.71 3h0rA1 LEU 62 HD13 0.04 -0.04 0.01 -0.04 0.93 0.90 3h0rA1 LEU 62 HD23 0.11 -0.01 -0.04 -0.04 0.89 0.91 3h0rA1 PRO 63 HA 0.06 0.03 0.32 -0.51 4.44 4.34 3h0rA1 PRO 63 HB2 0.05 0.02 0.10 -0.04 2.28 2.41 3h0rA1 PRO 63 HB3 0.05 -0.05 0.10 -0.04 2.02 2.08 3h0rA1 PRO 63 HG2 0.03 0.01 0.11 -0.04 2.03 2.14 3h0rA1 PRO 63 HG3 0.03 0.03 0.14 -0.04 2.03 2.18 3h0rA1 PRO 63 HD2 0.05 0.11 0.24 -0.04 3.68 4.04 3h0rA1 PRO 63 HD3 0.04 0.14 0.31 -0.04 3.65 4.09 3h0rA1 LEU 64 H 0.09 0.63 -0.19 -0.55 8.37 8.35 3h0rA1 LEU 64 HA 0.08 0.10 0.86 -0.75 4.35 4.64 3h0rA1 LEU 64 HB2 0.05 0.09 -0.10 -0.04 1.64 1.64 3h0rA1 LEU 64 HB3 0.04 -0.07 0.05 -0.04 1.64 1.62 3h0rA1 LEU 64 HG 0.06 0.01 -0.31 -0.04 1.64 1.36 3h0rA1 LEU 64 HD13 0.05 -0.01 -0.08 -0.04 0.93 0.85 3h0rA1 LEU 64 HD23 0.05 -0.02 -0.05 -0.04 0.89 0.83 3h0rA1 PHE 65 H 0.22 0.57 -0.20 -0.55 8.34 8.37 3h0rA1 PHE 65 HA 0.03 -0.01 0.18 -0.75 4.62 4.06 3h0rA1 PHE 65 HB2 0.03 0.15 0.09 -0.04 3.15 3.38 3h0rA1 PHE 65 HB3 0.03 -0.11 0.09 -0.04 3.06 3.03 3h0rA1 PHE 65 HD2 0.03 -0.02 -0.10 -0.04 7.28 7.15 3h0rA1 PHE 65 HE2 0.03 -0.08 -0.37 -0.04 7.38 6.92 3h0rA1 PHE 65 HZ 0.03 0.07 -0.12 -0.04 7.32 7.26 3h0rA1 GLY 66 H -0.02 -0.01 -0.15 -0.55 8.43 7.70 3h0rA1 GLY 66 HA2 -0.40 0.32 0.92 -0.51 4.01 4.34 3h0rA1 GLY 66 HA3 -0.36 -0.12 0.25 -0.51 4.01 3.27 3h0rA1 ILE 67 H -0.03 0.66 -0.13 -0.55 8.25 8.20 3h0rA1 ILE 67 HA 0.00 0.08 0.35 -0.75 4.18 3.86 3h0rA1 ILE 67 HB 0.00 -0.03 0.04 -0.04 1.89 1.86 3h0rA1 ILE 67 HG12 0.04 0.10 -0.20 -0.04 1.49 1.39 3h0rA1 ILE 67 HG13 0.05 -0.04 -0.01 -0.04 1.21 1.17 3h0rA1 ILE 67 HG23 -0.01 0.06 -0.06 -0.04 0.93 0.88 3h0rA1 ILE 67 HD13 0.07 -0.01 -0.11 -0.04 0.88 0.79 3h0rA1 PRO 68 HA -0.09 0.29 0.75 -0.51 4.44 4.89 3h0rA1 PRO 68 HB2 -0.33 -0.03 0.04 -0.04 2.28 1.91 3h0rA1 PRO 68 HB3 -0.09 -0.01 0.11 -0.04 2.02 2.00 3h0rA1 PRO 68 HG2 -0.17 0.04 0.02 -0.04 2.03 1.89 3h0rA1 PRO 68 HG3 0.06 0.04 0.00 -0.04 2.03 2.09 3h0rA1 PRO 68 HD2 -0.14 0.02 0.23 -0.04 3.68 3.75 3h0rA1 PRO 68 HD3 0.03 0.37 0.33 -0.04 3.65 4.33 3h0rA1 ILE 69 H -0.09 0.48 0.24 -0.55 8.25 8.32 3h0rA1 ILE 69 HA -0.06 0.23 0.67 -0.75 4.18 4.27 3h0rA1 ILE 69 HB -0.02 0.08 -0.17 -0.04 1.89 1.74 3h0rA1 ILE 69 HG12 0.01 -0.08 -0.20 -0.04 1.49 1.17 3h0rA1 ILE 69 HG13 -0.01 0.16 -0.40 -0.04 1.21 0.92 3h0rA1 ILE 69 HG23 -0.03 -0.02 -0.25 -0.04 0.93 0.60 3h0rA1 ILE 69 HD13 0.03 0.01 -0.41 -0.04 0.88 0.47 3h0rA1 ALA 70 H -0.03 0.46 0.25 -0.55 8.40 8.53 3h0rA1 ALA 70 HA -0.00 0.04 0.75 -0.75 4.34 4.36 3h0rA1 ALA 70 HB3 -0.09 0.01 -0.03 -0.04 1.41 1.26 3h0rA1 VAL 71 H -0.04 0.48 0.27 -0.55 8.24 8.39 3h0rA1 VAL 71 HA -0.00 0.09 0.99 -0.75 4.13 4.45 3h0rA1 VAL 71 HB -0.02 0.07 0.11 -0.04 2.12 2.23 3h0rA1 VAL 71 HG13 -0.01 0.02 -0.13 -0.04 0.97 0.81 3h0rA1 VAL 71 HG23 -0.01 0.01 -0.30 -0.04 0.95 0.61 3h0rA1 LYS 72 H 0.01 0.40 0.21 -0.55 8.42 8.49 3h0rA1 LYS 72 HA -0.04 0.06 0.53 -0.75 4.32 4.11 3h0rA1 LYS 72 HB2 0.04 0.23 0.24 -0.04 1.87 2.34 3h0rA1 LYS 72 HB3 0.03 -0.06 0.01 -0.04 1.79 1.72 3h0rA1 LYS 72 HG2 -0.00 -0.13 -0.12 -0.04 1.46 1.17 3h0rA1 LYS 72 HG3 -0.02 0.13 0.02 -0.04 1.46 1.55 3h0rA1 LYS 72 HD2 0.07 0.03 0.08 -0.04 1.69 1.84 3h0rA1 LYS 72 HD3 0.07 -0.07 -0.03 -0.04 1.68 1.61 3h0rA1 LYS 72 HE2 0.02 0.02 -0.12 -0.04 2.99 2.86 3h0rA1 LYS 72 HE3 0.03 0.05 -0.30 -0.04 2.99 2.73 3h0rA1 ASP 73 H -0.04 0.45 0.20 -0.55 8.40 8.47 3h0rA1 ASP 73 HA -0.02 0.32 0.59 -0.75 4.63 4.77 3h0rA1 ASP 73 HB2 -0.01 0.09 0.02 -0.04 2.71 2.77 3h0rA1 ASP 73 HB3 -0.03 -0.10 0.16 -0.04 2.70 2.68 3h0rA1 ASN 74 H -0.01 0.07 -0.72 -0.55 8.53 7.32 3h0rA1 ASN 74 HA -0.03 0.16 0.50 -0.75 4.76 4.64 3h0rA1 ASN 74 HB2 0.03 0.09 0.12 -0.04 2.88 3.07 3h0rA1 ASN 74 HB3 -0.03 -0.06 -0.03 -0.04 2.79 2.63 3h0rA1 ASN 74 HD21 0.08 -0.06 -0.15 -0.04 7.03 6.85 3h0rA1 ASN 74 HD22 0.06 0.03 -0.13 -0.04 7.74 7.66 3h0rA1 ILE 75 H -0.01 0.51 0.09 -0.55 8.25 8.29 3h0rA1 ILE 75 HA -0.01 0.25 0.97 -0.75 4.18 4.64 3h0rA1 ILE 75 HB -0.00 0.09 0.10 -0.04 1.89 2.04 3h0rA1 ILE 75 HG12 0.03 0.03 -0.07 -0.04 1.49 1.44 3h0rA1 ILE 75 HG13 0.03 -0.17 -0.32 -0.04 1.21 0.71 3h0rA1 ILE 75 HG23 -0.00 0.01 -0.12 -0.04 0.93 0.78 3h0rA1 ILE 75 HD13 0.04 0.00 -0.12 -0.04 0.88 0.76 3h0rA1 LEU 76 H -0.10 0.59 0.22 -0.55 8.37 8.53 3h0rA1 LEU 76 HA -0.08 0.07 0.50 -0.75 4.35 4.09 3h0rA1 LEU 76 HB2 -0.37 -0.04 0.16 -0.04 1.64 1.35 3h0rA1 LEU 76 HB3 -0.41 0.23 -0.07 -0.04 1.64 1.35 3h0rA1 LEU 76 HG -0.04 0.02 -0.05 -0.04 1.64 1.54 3h0rA1 LEU 76 HD13 -0.08 -0.02 -0.15 -0.04 0.93 0.63 3h0rA1 LEU 76 HD23 -0.62 -0.02 -0.07 -0.04 0.89 0.14 3h0rA1 VAL 77 H -0.07 0.30 0.15 -0.55 8.24 8.07 3h0rA1 VAL 77 HA -0.06 0.05 0.79 -0.75 4.13 4.16 3h0rA1 VAL 77 HB -0.05 0.01 0.07 -0.04 2.12 2.11 3h0rA1 VAL 77 HG13 -0.04 0.03 -0.11 -0.04 0.97 0.80 3h0rA1 VAL 77 HG23 -0.04 0.02 -0.15 -0.04 0.95 0.74 3h0rA1 GLU 78 H -0.06 0.07 -0.08 -0.55 8.60 7.99 3h0rA1 GLU 78 HA -0.10 0.18 0.15 -0.75 4.29 3.77 3h0rA1 GLU 78 HB2 -0.03 -0.16 -0.51 -0.04 2.09 1.34 3h0rA1 GLU 78 HB3 -0.02 -0.05 -0.14 -0.04 1.99 1.75 3h0rA1 GLU 78 HG2 -0.03 0.10 -0.28 -0.04 2.34 2.09 3h0rA1 GLU 78 HG3 -0.00 0.03 -0.32 -0.04 2.34 2.00 3h0rA1 GLY 79 H -0.09 0.65 0.19 -0.55 8.43 8.64 3h0rA1 GLY 79 HA2 -0.06 -0.00 0.32 -0.51 4.01 3.76 3h0rA1 GLY 79 HA3 -0.04 0.11 0.59 -0.51 4.01 4.16 3h0rA1 GLU 80 H -0.07 0.36 -0.48 -0.55 8.60 7.87 3h0rA1 GLU 80 HA -0.05 0.15 0.90 -0.75 4.29 4.53 3h0rA1 GLU 80 HB2 -0.05 0.05 -0.06 -0.04 2.09 1.99 3h0rA1 GLU 80 HB3 -0.04 -0.05 0.05 -0.04 1.99 1.91 3h0rA1 GLU 80 HG2 -0.05 0.06 -0.30 -0.04 2.34 2.01 3h0rA1 GLU 80 HG3 -0.05 -0.03 -0.12 -0.04 2.34 2.10 3h0rA1 LYS 81 H -0.03 0.10 0.12 -0.55 8.42 8.05 3h0rA1 LYS 81 HA -0.04 0.29 0.47 -0.75 4.32 4.29 3h0rA1 LYS 81 HB2 0.00 -0.03 0.12 -0.04 1.87 1.92 3h0rA1 LYS 81 HB3 0.04 -0.04 -0.07 -0.04 1.79 1.68 3h0rA1 LYS 81 HG2 0.02 -0.04 -0.13 -0.04 1.46 1.26 3h0rA1 LYS 81 HG3 -0.02 0.03 -0.04 -0.04 1.46 1.38 3h0rA1 LYS 81 HD2 -0.01 0.04 0.02 -0.04 1.69 1.70 3h0rA1 LYS 81 HD3 -0.00 -0.04 0.01 -0.04 1.68 1.61 3h0rA1 LYS 81 HE2 -0.00 -0.08 0.03 -0.04 2.99 2.89 3h0rA1 LYS 81 HE3 0.00 0.05 -0.02 -0.04 2.99 2.98 3h0rA1 THR 82 H 0.12 0.60 0.25 -0.55 8.28 8.70 3h0rA1 THR 82 HA 0.04 0.04 0.76 -0.75 4.39 4.47 3h0rA1 THR 82 HB 0.22 0.01 0.10 -0.04 4.32 4.61 3h0rA1 THR 82 HG23 0.01 -0.02 -0.33 -0.04 1.22 0.84 3h0rA1 THR 83 H 0.03 0.10 0.12 -0.55 8.28 7.99 3h0rA1 THR 83 HA 0.05 0.49 0.48 -0.75 4.39 4.66 3h0rA1 THR 83 HB 0.22 -0.01 -0.02 -0.04 4.32 4.47 3h0rA1 THR 83 HG23 0.16 0.03 -0.05 -0.04 1.22 1.32 3h0rA1 CYS 84 H -0.10 0.56 0.17 -0.55 8.50 8.59 3h0rA1 CYS 84 HA -0.19 0.08 0.22 -0.75 4.58 3.94 3h0rA1 CYS 84 HB2 -0.81 0.16 0.08 -0.04 2.97 2.36 3h0rA1 CYS 84 HB3 -0.59 -0.19 0.26 -0.04 2.97 2.40 3h0rA1 ALA 85 H -0.17 0.03 -0.41 -0.55 8.40 7.31 3h0rA1 ALA 85 HA -0.67 0.06 0.22 -0.75 4.34 3.19 3h0rA1 ALA 85 HB3 -0.34 -0.02 0.00 -0.04 1.41 1.01 3h0rA1 SER 86 H -0.37 0.66 -0.27 -0.55 8.46 7.94 3h0rA1 SER 86 HA -0.36 0.18 1.13 -0.75 4.49 4.68 3h0rA1 SER 86 HB2 -0.63 0.01 0.00 -0.04 3.95 3.29 3h0rA1 SER 86 HB3 -0.46 0.10 0.08 -0.04 3.93 3.61 3h0rA1 LYS 87 H -0.13 0.27 0.23 -0.55 8.42 8.23 3h0rA1 LYS 87 HA 0.10 0.04 0.56 -0.75 4.32 4.26 3h0rA1 LYS 87 HB2 -0.20 0.22 0.23 -0.04 1.87 2.08 3h0rA1 LYS 87 HB3 -0.30 -0.00 0.06 -0.04 1.79 1.51 3h0rA1 LYS 87 HG2 -0.01 -0.08 0.11 -0.04 1.46 1.43 3h0rA1 LYS 87 HG3 -0.07 0.12 0.08 -0.04 1.46 1.55 3h0rA1 LYS 87 HD2 0.01 0.00 0.05 -0.04 1.69 1.70 3h0rA1 LYS 87 HD3 0.14 -0.08 0.05 -0.04 1.68 1.75 3h0rA1 LYS 87 HE2 0.13 0.12 0.05 -0.04 2.99 3.25 3h0rA1 LYS 87 HE3 0.06 0.00 0.05 -0.04 2.99 3.06 3h0rA1 ILE 88 H -0.12 0.25 -0.05 -0.55 8.25 7.78 3h0rA1 ILE 88 HA -0.03 0.09 0.45 -0.75 4.18 3.92 3h0rA1 ILE 88 HB -0.24 0.10 -0.04 -0.04 1.89 1.67 3h0rA1 ILE 88 HG12 -0.02 -0.03 0.03 -0.04 1.49 1.43 3h0rA1 ILE 88 HG13 -0.10 0.04 0.02 -0.04 1.21 1.13 3h0rA1 ILE 88 HG23 -0.06 -0.01 -0.16 -0.04 0.93 0.66 3h0rA1 ILE 88 HD13 -0.70 -0.00 -0.15 -0.04 0.88 -0.01 3h0rA1 LEU 89 H -0.06 0.20 -0.51 -0.55 8.37 7.45 3h0rA1 LEU 89 HA 0.09 0.15 0.88 -0.75 4.35 4.72 3h0rA1 LEU 89 HB2 -0.23 -0.05 -0.06 -0.04 1.64 1.26 3h0rA1 LEU 89 HB3 -0.08 -0.02 0.22 -0.04 1.64 1.72 3h0rA1 LEU 89 HG -0.23 -0.03 0.10 -0.04 1.64 1.43 3h0rA1 LEU 89 HD13 -0.12 0.04 -0.11 -0.04 0.93 0.70 3h0rA1 LEU 89 HD23 -0.32 0.01 -0.10 -0.04 0.89 0.45 3h0rA1 GLU 90 H 0.12 0.28 -0.03 -0.55 8.60 8.42 3h0rA1 GLU 90 HA 0.16 -0.02 0.71 -0.75 4.29 4.39 3h0rA1 GLU 90 HB2 0.03 -0.04 0.08 -0.04 2.09 2.12 3h0rA1 GLU 90 HB3 0.33 0.02 0.11 -0.04 1.99 2.40 3h0rA1 GLU 90 HG2 0.14 0.24 0.20 -0.04 2.34 2.88 3h0rA1 GLU 90 HG3 0.12 -0.01 -0.10 -0.04 2.34 2.30 3h0rA1 ASN 91 H 0.07 0.10 0.08 -0.55 8.53 8.23 3h0rA1 ASN 91 HA 0.04 -0.01 0.23 -0.75 4.76 4.27 3h0rA1 ASN 91 HB2 0.10 0.22 0.14 -0.04 2.88 3.30 3h0rA1 ASN 91 HB3 0.06 -0.03 0.11 -0.04 2.79 2.88 3h0rA1 ASN 91 HD21 0.06 -0.03 -0.14 -0.04 7.03 6.89 3h0rA1 ASN 91 HD22 0.10 0.11 -0.17 -0.04 7.74 7.75 3h0rA1 PHE 92 H 0.23 0.36 -0.63 -0.55 8.34 7.75 3h0rA1 PHE 92 HA 0.05 0.08 0.76 -0.75 4.62 4.75 3h0rA1 PHE 92 HB2 0.07 -0.05 0.06 -0.04 3.15 3.19 3h0rA1 PHE 92 HB3 0.01 0.25 0.18 -0.04 3.06 3.45 3h0rA1 PHE 92 HD2 0.01 -0.00 0.01 -0.04 7.28 7.25 3h0rA1 PHE 92 HE2 -0.15 -0.04 -0.08 -0.04 7.38 7.06 3h0rA1 PHE 92 HZ -0.12 -0.05 -0.06 -0.04 7.32 7.05 3h0rA1 VAL 93 H -0.34 0.22 0.09 -0.55 8.24 7.67 3h0rA1 VAL 93 HA -0.25 0.07 0.48 -0.75 4.13 3.67 3h0rA1 VAL 93 HB -0.21 -0.00 0.03 -0.04 2.12 1.90 3h0rA1 VAL 93 HG13 -0.14 0.00 -0.42 -0.04 0.97 0.37 3h0rA1 VAL 93 HG23 -0.08 0.02 -0.16 -0.04 0.95 0.68 3h0rA1 ALA 94 H -0.26 0.54 0.03 -0.55 8.40 8.17 3h0rA1 ALA 94 HA -0.43 0.09 0.29 -0.75 4.34 3.55 3h0rA1 ALA 94 HB3 -0.14 0.06 -0.02 -0.04 1.41 1.27 3h0rA1 PRO 95 HA -0.01 0.10 0.50 -0.51 4.44 4.52 3h0rA1 PRO 95 HB2 0.21 -0.01 -0.03 -0.04 2.28 2.42 3h0rA1 PRO 95 HB3 0.06 0.03 0.11 -0.04 2.02 2.18 3h0rA1 PRO 95 HG2 0.18 0.01 0.05 -0.04 2.03 2.23 3h0rA1 PRO 95 HG3 -0.11 0.17 0.09 -0.04 2.03 2.14 3h0rA1 PRO 95 HD2 0.18 0.04 0.13 -0.04 3.68 4.00 3h0rA1 PRO 95 HD3 -0.35 0.19 0.25 -0.04 3.65 3.70 3h0rA1 TYR 96 H -0.11 0.20 -0.32 -0.55 8.29 7.51 3h0rA1 TYR 96 HA 0.02 0.13 0.52 -0.75 4.56 4.47 3h0rA1 TYR 96 HB2 0.09 0.02 0.02 -0.04 3.06 3.15 3h0rA1 TYR 96 HB3 0.05 0.12 -0.31 -0.04 2.98 2.80 3h0rA1 TYR 96 HD2 0.07 0.10 -0.26 -0.04 7.15 7.01 3h0rA1 TYR 96 HE2 -0.41 -0.03 -0.16 -0.04 6.85 6.21 3h0rA1 ASP 97 H 0.15 0.17 0.06 -0.55 8.40 8.23 3h0rA1 ASP 97 HA -0.08 0.12 0.70 -0.75 4.63 4.62 3h0rA1 ASP 97 HB2 0.08 -0.01 0.08 -0.04 2.71 2.82 3h0rA1 ASP 97 HB3 0.04 0.08 -0.02 -0.04 2.70 2.76 3h0rA1 ALA 98 H -0.11 0.60 0.23 -0.55 8.40 8.58 3h0rA1 ALA 98 HA 0.09 0.12 0.61 -0.75 4.34 4.40 3h0rA1 ALA 98 HB3 -0.01 0.01 0.13 -0.04 1.41 1.50 3h0rA1 THR 99 H 0.26 0.49 0.17 -0.55 8.28 8.65 3h0rA1 THR 99 HA 0.10 0.08 0.35 -0.75 4.39 4.17 3h0rA1 THR 99 HB 0.09 -0.00 0.07 -0.04 4.32 4.43 3h0rA1 THR 99 HG23 -0.02 0.02 -0.10 -0.04 1.22 1.08 3h0rA1 VAL 100 H 0.07 0.12 -0.23 -0.55 8.24 7.65 3h0rA1 VAL 100 HA 0.05 0.16 0.39 -0.75 4.13 3.98 3h0rA1 VAL 100 HB 0.05 0.05 -0.01 -0.04 2.12 2.17 3h0rA1 VAL 100 HG13 0.05 0.09 0.04 -0.04 0.97 1.12 3h0rA1 VAL 100 HG23 0.04 -0.02 -0.08 -0.04 0.95 0.86 3h0rA1 ILE 101 H 0.03 0.11 -0.34 -0.55 8.25 7.50 3h0rA1 ILE 101 HA 0.01 0.07 0.38 -0.75 4.18 3.88 3h0rA1 ILE 101 HB 0.01 0.10 0.12 -0.04 1.89 2.08 3h0rA1 ILE 101 HG12 0.00 -0.12 -0.05 -0.04 1.49 1.28 3h0rA1 ILE 101 HG13 -0.02 0.18 -0.08 -0.04 1.21 1.25 3h0rA1 ILE 101 HG23 -0.01 -0.01 -0.06 -0.04 0.93 0.82 3h0rA1 ILE 101 HD13 -0.01 0.00 -0.11 -0.04 0.88 0.72 3h0rA1 GLU 102 H 0.04 0.46 -0.23 -0.55 8.60 8.33 3h0rA1 GLU 102 HA 0.03 0.02 0.41 -0.75 4.29 3.99 3h0rA1 GLU 102 HB2 0.05 -0.05 0.05 -0.04 2.09 2.09 3h0rA1 GLU 102 HB3 0.05 0.11 0.14 -0.04 1.99 2.24 3h0rA1 GLU 102 HG2 0.01 0.08 -0.27 -0.04 2.34 2.12 3h0rA1 GLU 102 HG3 0.02 -0.05 -0.15 -0.04 2.34 2.12 3h0rA1 ARG 103 H 0.03 0.48 -0.26 -0.55 8.46 8.16 3h0rA1 ARG 103 HA 0.02 0.03 0.35 -0.75 4.34 3.99 3h0rA1 ARG 103 HB2 0.03 0.05 0.07 -0.04 1.90 2.02 3h0rA1 ARG 103 HB3 0.03 0.10 -0.08 -0.04 1.80 1.81 3h0rA1 ARG 103 HG2 0.02 -0.02 0.01 -0.04 1.67 1.64 3h0rA1 ARG 103 HG3 0.01 -0.05 -0.04 -0.04 1.67 1.55 3h0rA1 ARG 103 HD2 0.03 -0.00 -0.12 -0.04 3.22 3.09 3h0rA1 ARG 103 HD3 0.02 0.02 0.03 -0.04 3.22 3.25 3h0rA1 LEU 104 H 0.03 0.44 -0.26 -0.55 8.37 8.04 3h0rA1 LEU 104 HA 0.03 0.06 0.47 -0.75 4.35 4.16 3h0rA1 LEU 104 HB2 0.02 0.05 0.10 -0.04 1.64 1.77 3h0rA1 LEU 104 HB3 0.01 -0.04 -0.14 -0.04 1.64 1.44 3h0rA1 LEU 104 HG 0.04 0.13 -0.05 -0.04 1.64 1.72 3h0rA1 LEU 104 HD13 0.02 -0.03 -0.16 -0.04 0.93 0.72 3h0rA1 LEU 104 HD23 0.04 -0.00 -0.08 -0.04 0.89 0.81 3h0rA1 LYS 105 H 0.02 0.58 -0.13 -0.55 8.42 8.34 3h0rA1 LYS 105 HA 0.01 0.15 0.35 -0.75 4.32 4.07 3h0rA1 LYS 105 HB2 0.02 0.10 0.19 -0.04 1.87 2.14 3h0rA1 LYS 105 HB3 0.01 -0.03 -0.02 -0.04 1.79 1.71 3h0rA1 LYS 105 HG2 -0.00 0.02 0.00 -0.04 1.46 1.43 3h0rA1 LYS 105 HG3 0.00 0.10 0.03 -0.04 1.46 1.55 3h0rA1 LYS 105 HD2 0.01 -0.05 -0.05 -0.04 1.69 1.55 3h0rA1 LYS 105 HD3 0.00 0.02 -0.03 -0.04 1.68 1.63 3h0rA1 LYS 105 HE2 -0.02 0.02 -0.03 -0.04 2.99 2.92 3h0rA1 LYS 105 HE3 -0.01 -0.06 -0.05 -0.04 2.99 2.83 3h0rA1 LYS 106 H 0.02 0.50 -0.21 -0.55 8.42 8.18 3h0rA1 LYS 106 HA 0.03 0.04 0.40 -0.75 4.32 4.03 3h0rA1 LYS 106 HB2 0.02 0.11 0.11 -0.04 1.87 2.07 3h0rA1 LYS 106 HB3 0.02 0.06 -0.01 -0.04 1.79 1.83 3h0rA1 LYS 106 HG2 0.02 -0.01 0.12 -0.04 1.46 1.56 3h0rA1 LYS 106 HG3 0.02 -0.04 0.05 -0.04 1.46 1.45 3h0rA1 LYS 106 HD2 0.01 -0.00 -0.01 -0.04 1.69 1.65 3h0rA1 LYS 106 HD3 0.02 0.00 0.00 -0.04 1.68 1.66 3h0rA1 LYS 106 HE2 0.02 -0.01 0.02 -0.04 2.99 2.97 3h0rA1 LYS 106 HE3 0.01 -0.01 0.01 -0.04 2.99 2.96 3h0rA1 ALA 107 H 0.03 0.26 -0.74 -0.55 8.40 7.41 3h0rA1 ALA 107 HA 0.05 0.08 0.60 -0.75 4.34 4.32 3h0rA1 ALA 107 HB3 0.05 -0.01 0.12 -0.04 1.41 1.52 3h0rA1 GLY 108 H 0.04 0.39 -0.54 -0.55 8.43 7.78 3h0rA1 GLY 108 HA2 0.06 0.01 0.23 -0.51 4.01 3.80 3h0rA1 GLY 108 HA3 0.11 0.01 0.34 -0.51 4.01 3.96 3h0rA1 ALA 109 H 0.02 0.24 -0.27 -0.55 8.40 7.84 3h0rA1 ALA 109 HA -0.02 0.21 0.29 -0.75 4.34 4.06 3h0rA1 ALA 109 HB3 0.00 -0.07 -0.13 -0.04 1.41 1.17 3h0rA1 LEU 110 H -0.05 0.64 0.14 -0.55 8.37 8.56 3h0rA1 LEU 110 HA -0.04 0.14 0.87 -0.75 4.35 4.56 3h0rA1 LEU 110 HB2 -0.06 -0.08 -0.08 -0.04 1.64 1.39 3h0rA1 LEU 110 HB3 -0.05 -0.06 -0.09 -0.04 1.64 1.40 3h0rA1 LEU 110 HG -0.08 0.18 -0.57 -0.04 1.64 1.12 3h0rA1 LEU 110 HD13 -0.08 -0.00 -0.17 -0.04 0.93 0.64 3h0rA1 LEU 110 HD23 -0.05 0.02 -0.17 -0.04 0.89 0.65 3h0rA1 ILE 111 H -0.05 0.17 -0.01 -0.55 8.25 7.82 3h0rA1 ILE 111 HA -0.07 0.23 0.53 -0.75 4.18 4.11 3h0rA1 ILE 111 HB -0.06 0.01 0.10 -0.04 1.89 1.90 3h0rA1 ILE 111 HG12 -0.03 -0.05 -0.05 -0.04 1.49 1.32 3h0rA1 ILE 111 HG13 -0.03 0.06 -0.06 -0.04 1.21 1.13 3h0rA1 ILE 111 HG23 -0.07 -0.01 -0.18 -0.04 0.93 0.63 3h0rA1 ILE 111 HD13 -0.02 -0.01 -0.14 -0.04 0.88 0.67 3h0rA1 VAL 112 H -0.14 0.51 0.31 -0.55 8.24 8.37 3h0rA1 VAL 112 HA -0.39 0.13 0.44 -0.75 4.13 3.56 3h0rA1 VAL 112 HB -0.23 0.02 0.06 -0.04 2.12 1.93 3h0rA1 VAL 112 HG13 -0.72 -0.01 -0.12 -0.04 0.97 0.08 3h0rA1 VAL 112 HG23 -0.22 0.01 -0.04 -0.04 0.95 0.66 3h0rA1 GLY 113 H -0.10 0.22 0.10 -0.55 8.43 8.10 3h0rA1 GLY 113 HA2 -0.13 0.16 0.40 -0.51 4.01 3.93 3h0rA1 GLY 113 HA3 -0.04 0.04 0.55 -0.51 4.01 4.04 3h0rA1 LYS 114 H 0.12 0.76 0.28 -0.55 8.42 9.03 3h0rA1 LYS 114 HA 0.00 0.43 1.01 -0.75 4.32 5.01 3h0rA1 LYS 114 HB2 0.04 -0.11 0.22 -0.04 1.87 1.98 3h0rA1 LYS 114 HB3 0.01 -0.06 0.08 -0.04 1.79 1.79 3h0rA1 LYS 114 HG2 -0.01 -0.02 -0.07 -0.04 1.46 1.31 3h0rA1 LYS 114 HG3 -0.01 0.18 0.04 -0.04 1.46 1.63 3h0rA1 LYS 114 HD2 -0.02 0.09 -0.15 -0.04 1.69 1.58 3h0rA1 LYS 114 HD3 -0.03 -0.02 -0.10 -0.04 1.68 1.48 3h0rA1 LYS 114 HE2 -0.01 -0.13 -0.09 -0.04 2.99 2.71 3h0rA1 LYS 114 HE3 -0.02 0.05 -0.05 -0.04 2.99 2.93 3h0rA1 THR 115 H -0.05 0.52 0.31 -0.55 8.28 8.51 3h0rA1 THR 115 HA -0.25 0.14 0.19 -0.75 4.39 3.72 3h0rA1 THR 115 HB -0.11 -0.04 -0.20 -0.04 4.32 3.93 3h0rA1 THR 115 HG23 -0.15 0.01 -0.28 -0.04 1.22 0.75 3h0rA1 ASN 116 H -0.05 1.08 0.41 -0.55 8.53 9.41 3h0rA1 ASN 116 HA -0.08 -0.02 0.46 -0.75 4.76 4.37 3h0rA1 ASN 116 HB2 0.03 0.13 -0.17 -0.04 2.88 2.83 3h0rA1 ASN 116 HB3 -0.01 -0.03 0.06 -0.04 2.79 2.77 3h0rA1 ASN 116 HD21 -0.41 0.44 0.17 -0.04 7.03 7.20 3h0rA1 ASN 116 HD22 -0.05 0.07 -0.13 -0.04 7.74 7.60 3h0rA1 LEU 117 H -0.14 0.30 0.25 -0.55 8.37 8.25 3h0rA1 LEU 117 HA -0.04 0.14 0.71 -0.75 4.35 4.41 3h0rA1 LEU 117 HB2 -0.04 -0.03 0.09 -0.04 1.64 1.62 3h0rA1 LEU 117 HB3 -0.04 0.01 -0.06 -0.04 1.64 1.50 3h0rA1 LEU 117 HG -0.14 0.07 -0.39 -0.04 1.64 1.14 3h0rA1 LEU 117 HD13 -0.07 -0.04 -0.15 -0.04 0.93 0.63 3h0rA1 LEU 117 HD23 -0.08 -0.08 -0.15 -0.04 0.89 0.54 3h0rA1 ASP 118 H 0.00 0.14 0.16 -0.55 8.40 8.15 3h0rA1 ASP 118 HA 0.02 0.03 0.28 -0.75 4.63 4.21 3h0rA1 ASP 118 HB2 0.03 -0.07 -0.29 -0.04 2.71 2.33 3h0rA1 ASP 118 HB3 0.07 0.34 -0.39 -0.04 2.70 2.68 3h0rA1 GLU 119 H -0.02 0.39 -0.19 -0.55 8.60 8.23 3h0rA1 GLU 119 HA -0.25 0.27 0.40 -0.75 4.29 3.95 3h0rA1 GLU 119 HB2 -0.15 0.20 0.39 -0.04 2.09 2.50 3h0rA1 GLU 119 HB3 -0.04 -0.15 0.24 -0.04 1.99 2.00 3h0rA1 GLU 119 HG2 -0.06 -0.00 -0.15 -0.04 2.34 2.09 3h0rA1 GLU 119 HG3 -0.32 0.09 -0.09 -0.04 2.34 1.97 3h0rA1 PHE 120 H -0.40 0.58 0.27 -0.55 8.34 8.24 3h0rA1 PHE 120 HA -0.13 0.03 0.31 -0.75 4.62 4.07 3h0rA1 PHE 120 HB2 -0.22 0.09 -0.15 -0.04 3.15 2.83 3h0rA1 PHE 120 HB3 -0.25 0.01 0.19 -0.04 3.06 2.97 3h0rA1 PHE 120 HD2 -0.08 -0.03 -0.07 -0.04 7.28 7.05 3h0rA1 PHE 120 HE2 -0.01 -0.00 -0.04 -0.04 7.38 7.28 3h0rA1 PHE 120 HZ -0.77 0.01 -0.06 -0.04 7.32 6.46 3h0rA1 ALA 121 H -0.08 0.48 -0.25 -0.55 8.40 8.01 3h0rA1 ALA 121 HA -0.01 -0.08 0.17 -0.75 4.34 3.66 3h0rA1 ALA 121 HB3 0.06 0.03 -0.20 -0.04 1.41 1.26 3h0rA1 MET 122 H -0.11 0.22 -0.92 -0.55 8.47 7.11 3h0rA1 MET 122 HA -0.20 0.11 0.62 -0.75 4.52 4.29 3h0rA1 MET 122 HB2 -0.19 0.05 0.01 -0.04 2.15 1.99 3h0rA1 MET 122 HB3 -0.21 -0.06 -0.12 -0.04 2.03 1.61 3h0rA1 MET 122 HG2 -1.32 -0.09 -0.19 -0.04 2.63 0.99 3h0rA1 MET 122 HG3 -0.42 0.59 -0.03 -0.04 2.56 2.66 3h0rA1 MET 122 HE3 -0.37 0.01 -0.02 -0.04 2.10 1.68 3h0rA1 GLY 123 H 0.11 0.33 0.07 -0.55 8.43 8.40 3h0rA1 GLY 123 HA2 0.22 0.13 0.26 -0.51 4.01 4.11 3h0rA1 GLY 123 HA3 0.22 -0.01 0.43 -0.51 4.01 4.13 3h0rA1 SER 124 H 0.23 0.17 0.00 -0.55 8.46 8.32 3h0rA1 SER 124 HA 0.10 0.29 0.66 -0.75 4.49 4.78 3h0rA1 SER 124 HB2 0.22 0.07 0.06 -0.04 3.95 4.26 3h0rA1 SER 124 HB3 0.10 0.08 0.09 -0.04 3.93 4.16 3h0rA1 SER 125 H 0.14 -0.27 -0.14 -0.55 8.46 7.64 3h0rA1 SER 125 HA 0.05 0.12 0.40 -0.75 4.49 4.31 3h0rA1 SER 125 HB2 0.07 0.11 0.04 -0.04 3.95 4.12 3h0rA1 SER 125 HB3 0.37 0.14 -0.37 -0.04 3.93 4.03 3h0rA1 THR 126 H 0.10 -0.23 -0.03 -0.55 8.28 7.56 3h0rA1 THR 126 HA 0.05 -0.13 0.20 -0.75 4.39 3.75 3h0rA1 THR 126 HB 0.07 0.34 0.21 -0.04 4.32 4.90 3h0rA1 THR 126 HG23 0.01 -0.02 -0.08 -0.04 1.22 1.08 3h0rA1 GLU 127 H 0.05 0.06 -0.72 -0.55 8.60 7.45 3h0rA1 GLU 127 HA 0.08 0.20 0.41 -0.75 4.29 4.23 3h0rA1 GLU 127 HB2 -0.18 -0.10 -0.03 -0.04 2.09 1.73 3h0rA1 GLU 127 HB3 -0.11 0.07 0.03 -0.04 1.99 1.95 3h0rA1 GLU 127 HG2 0.35 0.12 0.03 -0.04 2.34 2.81 3h0rA1 GLU 127 HG3 0.05 0.08 -0.05 -0.04 2.34 2.38 3h0rA1 TYR 128 H 0.09 -0.16 -0.45 -0.55 8.29 7.23 3h0rA1 TYR 128 HA -0.00 0.28 0.57 -0.75 4.56 4.66 3h0rA1 TYR 128 HB2 0.00 -0.09 0.08 -0.04 3.06 3.01 3h0rA1 TYR 128 HB3 -0.02 -0.02 0.22 -0.04 2.98 3.12 3h0rA1 TYR 128 HD2 0.03 -0.05 0.06 -0.04 7.15 7.15 3h0rA1 TYR 128 HE2 0.02 0.04 0.00 -0.04 6.85 6.88 3h0rA1 SER 129 H -0.01 0.50 -0.33 -0.55 8.46 8.08 3h0rA1 SER 129 HA -0.21 0.07 0.80 -0.75 4.49 4.39 3h0rA1 SER 129 HB2 -0.16 0.10 0.22 -0.04 3.95 4.07 3h0rA1 SER 129 HB3 -0.13 0.19 0.07 -0.04 3.93 4.02 3h0rA1 ALA 130 H -0.46 0.52 0.35 -0.55 8.40 8.27 3h0rA1 ALA 130 HA -0.08 0.14 0.54 -0.75 4.34 4.18 3h0rA1 ALA 130 HB3 -0.26 -0.02 0.17 -0.04 1.41 1.26 3h0rA1 PHE 131 H -0.28 -0.09 -0.48 -0.55 8.34 6.94 3h0rA1 PHE 131 HA 0.03 0.20 0.73 -0.75 4.62 4.82 3h0rA1 PHE 131 HB2 -0.56 -0.01 0.05 -0.04 3.15 2.59 3h0rA1 PHE 131 HB3 0.06 0.07 -0.02 -0.04 3.06 3.12 3h0rA1 PHE 131 HD2 -0.12 0.12 -0.21 -0.04 7.28 7.03 3h0rA1 PHE 131 HE2 -0.06 -0.03 -0.15 -0.04 7.38 7.09 3h0rA1 PHE 131 HZ -0.05 0.07 -0.15 -0.04 7.32 7.15 3h0rA1 PHE 132 H -0.15 0.05 -0.01 -0.55 8.34 7.68 3h0rA1 PHE 132 HA 0.05 0.09 0.40 -0.75 4.62 4.41 3h0rA1 PHE 132 HB2 0.04 0.13 0.04 -0.04 3.15 3.32 3h0rA1 PHE 132 HB3 0.07 0.19 0.06 -0.04 3.06 3.34 3h0rA1 PHE 132 HD2 0.09 0.20 -0.39 -0.04 7.28 7.14 3h0rA1 PHE 132 HE2 0.07 0.06 -0.10 -0.04 7.38 7.38 3h0rA1 PHE 132 HZ 0.12 0.36 0.07 -0.04 7.32 7.83 3h0rA1 PRO 133 HA 0.15 0.00 0.55 -0.51 4.44 4.64 3h0rA1 PRO 133 HB2 0.18 0.18 -0.12 -0.04 2.28 2.47 3h0rA1 PRO 133 HB3 0.22 -0.11 0.08 -0.04 2.02 2.17 3h0rA1 PRO 133 HG2 -0.05 0.10 0.05 -0.04 2.03 2.09 3h0rA1 PRO 133 HG3 -0.09 -0.02 0.06 -0.04 2.03 1.94 3h0rA1 PRO 133 HD2 0.14 0.12 0.21 -0.04 3.68 4.11 3h0rA1 PRO 133 HD3 0.09 0.11 0.12 -0.04 3.65 3.93 3h0rA1 THR 134 H 0.16 -0.05 0.13 -0.55 8.28 7.97 3h0rA1 THR 134 HA 0.21 0.40 0.84 -0.75 4.39 5.08 3h0rA1 THR 134 HB 0.10 -0.19 -0.06 -0.04 4.32 4.13 3h0rA1 THR 134 HG23 0.08 0.01 -0.34 -0.04 1.22 0.94 3h0rA1 LYS 135 H 0.14 0.70 0.21 -0.55 8.42 8.91 3h0rA1 LYS 135 HA 0.42 0.12 0.89 -0.75 4.32 4.99 3h0rA1 LYS 135 HB2 0.09 0.04 -0.01 -0.04 1.87 1.95 3h0rA1 LYS 135 HB3 0.22 0.04 0.09 -0.04 1.79 2.09 3h0rA1 LYS 135 HG2 0.01 -0.09 -0.39 -0.04 1.46 0.95 3h0rA1 LYS 135 HG3 0.05 0.12 -0.17 -0.04 1.46 1.42 3h0rA1 LYS 135 HD2 -0.06 0.12 0.03 -0.04 1.69 1.74 3h0rA1 LYS 135 HD3 -0.05 0.10 0.07 -0.04 1.68 1.75 3h0rA1 LYS 135 HE2 -0.70 -0.08 -0.06 -0.04 2.99 2.11 3h0rA1 LYS 135 HE3 -0.22 -0.01 -0.05 -0.04 2.99 2.66 3h0rA1 ASN 136 H 0.16 0.73 0.15 -0.55 8.53 9.02 3h0rA1 ASN 136 HA 0.11 0.06 0.38 -0.75 4.76 4.56 3h0rA1 ASN 136 HB2 0.01 0.08 -0.59 -0.04 2.88 2.34 3h0rA1 ASN 136 HB3 0.09 0.07 0.04 -0.04 2.79 2.95 3h0rA1 ASN 136 HD21 0.02 0.35 0.03 -0.04 7.03 7.39 3h0rA1 ASN 136 HD22 -0.11 0.39 -0.02 -0.04 7.74 7.95 3h0rA1 PRO 137 HA -0.07 0.05 0.30 -0.51 4.44 4.21 3h0rA1 PRO 137 HB2 -0.38 0.06 -0.04 -0.04 2.28 1.88 3h0rA1 PRO 137 HB3 -0.11 -0.03 0.06 -0.04 2.02 1.90 3h0rA1 PRO 137 HG2 -0.04 0.13 0.01 -0.04 2.03 2.09 3h0rA1 PRO 137 HG3 -0.01 0.03 0.11 -0.04 2.03 2.12 3h0rA1 PRO 137 HD2 0.12 0.06 0.21 -0.04 3.68 4.04 3h0rA1 PRO 137 HD3 0.05 0.26 0.26 -0.04 3.65 4.17 3h0rA1 TRP 138 H 0.27 0.04 -0.57 -0.55 7.97 7.16 3h0rA1 TRP 138 HA 0.12 0.25 0.90 -0.75 4.62 5.13 3h0rA1 TRP 138 HB2 0.16 -0.01 0.03 -0.04 3.23 3.37 3h0rA1 TRP 138 HB3 0.28 0.14 0.15 -0.04 3.23 3.76 3h0rA1 TRP 138 HD1 0.19 -0.02 -0.05 -0.04 7.22 7.30 3h0rA1 TRP 138 HE1 0.39 0.27 -0.05 -0.04 10.20 10.76 3h0rA1 TRP 138 HE3 0.10 0.01 0.07 -0.04 7.59 7.74 3h0rA1 TRP 138 HZ2 0.22 0.33 -0.20 -0.04 7.44 7.75 3h0rA1 TRP 138 HZ3 -0.25 -0.04 -0.12 -0.04 7.13 6.67 3h0rA1 TRP 138 HH2 -0.27 -0.14 -0.50 -0.04 7.19 6.24 3h0rA1 ASP 139 H 0.17 0.37 -0.31 -0.55 8.40 8.08 3h0rA1 ASP 139 HA 0.11 0.01 0.31 -0.75 4.63 4.30 3h0rA1 ASP 139 HB2 0.14 0.27 0.19 -0.04 2.71 3.27 3h0rA1 ASP 139 HB3 0.11 -0.01 -0.05 -0.04 2.70 2.71 3h0rA1 LEU 140 H 0.07 0.16 0.05 -0.55 8.37 8.09 3h0rA1 LEU 140 HA 0.13 0.21 0.38 -0.75 4.35 4.31 3h0rA1 LEU 140 HB2 0.03 -0.05 0.00 -0.04 1.64 1.58 3h0rA1 LEU 140 HB3 0.04 0.09 0.09 -0.04 1.64 1.81 3h0rA1 LEU 140 HG 0.02 -0.04 -0.03 -0.04 1.64 1.56 3h0rA1 LEU 140 HD13 -0.01 0.00 -0.03 -0.04 0.93 0.84 3h0rA1 LEU 140 HD23 0.01 0.09 -0.34 -0.04 0.89 0.61 3h0rA1 GLU 141 H 0.10 0.03 -0.45 -0.55 8.60 7.73 3h0rA1 GLU 141 HA 0.16 0.13 0.76 -0.75 4.29 4.59 3h0rA1 GLU 141 HB2 0.08 0.01 -0.00 -0.04 2.09 2.14 3h0rA1 GLU 141 HB3 0.10 -0.04 0.07 -0.04 1.99 2.08 3h0rA1 GLU 141 HG2 0.06 0.02 0.05 -0.04 2.34 2.43 3h0rA1 GLU 141 HG3 0.05 -0.02 -0.04 -0.04 2.34 2.29 3h0rA1 ARG 142 H 0.16 0.63 -0.08 -0.55 8.46 8.62 3h0rA1 ARG 142 HA -0.10 0.10 0.96 -0.75 4.34 4.54 3h0rA1 ARG 142 HB2 -0.01 0.13 0.07 -0.04 1.90 2.06 3h0rA1 ARG 142 HB3 -0.20 0.05 -0.08 -0.04 1.80 1.53 3h0rA1 ARG 142 HG2 -0.04 -0.05 -0.39 -0.04 1.67 1.15 3h0rA1 ARG 142 HG3 0.02 -0.17 -0.31 -0.04 1.67 1.17 3h0rA1 ARG 142 HD2 -0.03 0.00 -0.09 -0.04 3.22 3.06 3h0rA1 ARG 142 HD3 -0.13 0.41 -0.11 -0.04 3.22 3.36 3h0rA1 VAL 143 H -0.51 0.54 0.24 -0.55 8.24 7.96 3h0rA1 VAL 143 HA -0.56 0.21 0.53 -0.75 4.13 3.56 3h0rA1 VAL 143 HB -0.35 0.10 0.19 -0.04 2.12 2.02 3h0rA1 VAL 143 HG13 -0.66 0.07 -0.12 -0.04 0.97 0.22 3h0rA1 VAL 143 HG23 -0.68 -0.07 -0.06 -0.04 0.95 0.09 3h0rA1 PRO 144 HA 0.09 0.20 0.48 -0.51 4.44 4.69 3h0rA1 PRO 144 HB2 0.05 -0.00 -0.06 -0.04 2.28 2.22 3h0rA1 PRO 144 HB3 0.07 0.09 -0.27 -0.04 2.02 1.87 3h0rA1 PRO 144 HG2 0.04 -0.05 -0.20 -0.04 2.03 1.79 3h0rA1 PRO 144 HG3 0.08 0.01 -0.41 -0.04 2.03 1.67 3h0rA1 PRO 144 HD2 -0.03 0.24 0.22 -0.04 3.68 4.06 3h0rA1 PRO 144 HD3 0.05 0.34 0.17 -0.04 3.65 4.17 3h0rA1 GLY 145 H 0.02 0.01 -0.35 -0.55 8.43 7.57 3h0rA1 GLY 145 HA2 -0.02 0.18 0.15 -0.51 4.01 3.81 3h0rA1 GLY 145 HA3 -0.09 0.18 0.48 -0.51 4.01 4.06 3h0rA1 GLY 146 H -0.05 0.41 -0.18 -0.55 8.43 8.05 3h0rA1 GLY 146 HA2 0.03 0.02 0.13 -0.51 4.01 3.69 3h0rA1 GLY 146 HA3 0.06 -0.33 -0.03 -0.51 4.01 3.20 3h0rA1 SER 147 H 0.08 0.06 0.17 -0.55 8.46 8.22 3h0rA1 SER 147 HA 0.05 -0.15 0.27 -0.75 4.49 3.90 3h0rA1 SER 147 HB2 0.03 -0.10 -0.01 -0.04 3.95 3.83 3h0rA1 SER 147 HB3 0.07 0.21 -0.21 -0.04 3.93 3.96 3h0rA1 SER 148 H 0.10 0.50 0.08 -0.55 8.46 8.60 3h0rA1 SER 148 HA 0.02 0.08 0.59 -0.75 4.49 4.43 3h0rA1 SER 148 HB2 0.37 0.25 0.20 -0.04 3.95 4.73 3h0rA1 SER 148 HB3 0.16 -0.07 0.16 -0.04 3.93 4.14 3h0rA1 GLY 149 H 0.00 0.36 -0.45 -0.55 8.43 7.79 3h0rA1 GLY 149 HA2 -0.01 0.16 -0.10 -0.51 4.01 3.55 3h0rA1 GLY 149 HA3 0.00 0.09 0.10 -0.51 4.01 3.70 3h0rA1 GLY 150 H -0.06 0.38 -0.09 -0.55 8.43 8.11 3h0rA1 GLY 150 HA2 -0.06 0.08 0.39 -0.51 4.01 3.91 3h0rA1 GLY 150 HA3 -0.11 0.14 0.39 -0.51 4.01 3.92 3h0rA1 SER 151 H -0.21 0.15 -0.46 -0.55 8.46 7.40 3h0rA1 SER 151 HA -0.29 0.03 0.22 -0.75 4.49 3.69 3h0rA1 SER 151 HB2 -0.23 -0.01 -0.01 -0.04 3.95 3.65 3h0rA1 SER 151 HB3 -0.49 0.01 -0.31 -0.04 3.93 3.11 3h0rA1 ALA 152 H -0.49 0.42 -0.28 -0.55 8.40 7.51 3h0rA1 ALA 152 HA -0.69 0.06 0.30 -0.75 4.34 3.26 3h0rA1 ALA 152 HB3 -0.16 0.05 -0.18 -0.04 1.41 1.07 3h0rA1 ALA 153 H -0.11 0.54 -0.11 -0.55 8.40 8.17 3h0rA1 ALA 153 HA 0.04 0.10 0.27 -0.75 4.34 4.00 3h0rA1 ALA 153 HB3 0.01 0.01 0.02 -0.04 1.41 1.41 3h0rA1 SER 154 H -0.10 0.51 -0.26 -0.55 8.46 8.06 3h0rA1 SER 154 HA 0.08 -0.02 0.26 -0.75 4.49 4.06 3h0rA1 SER 154 HB2 0.12 -0.07 -0.11 -0.04 3.95 3.85 3h0rA1 SER 154 HB3 -0.11 -0.07 -0.01 -0.04 3.93 3.70 3h0rA1 VAL 155 H -0.04 0.29 -0.60 -0.55 8.24 7.34 3h0rA1 VAL 155 HA 0.12 0.33 0.58 -0.75 4.13 4.39 3h0rA1 VAL 155 HB 0.02 0.17 -0.01 -0.04 2.12 2.25 3h0rA1 VAL 155 HG13 0.19 0.01 -0.27 -0.04 0.97 0.86 3h0rA1 VAL 155 HG23 0.03 -0.02 -0.30 -0.04 0.95 0.62 3h0rA1 ALA 156 H 0.09 0.29 -0.20 -0.55 8.40 8.03 3h0rA1 ALA 156 HA 0.28 0.16 0.53 -0.75 4.34 4.56 3h0rA1 ALA 156 HB3 0.23 0.01 0.10 -0.04 1.41 1.70 3h0rA1 VAL 157 H 0.05 0.45 0.06 -0.55 8.24 8.26 3h0rA1 VAL 157 HA -0.05 0.10 0.47 -0.75 4.13 3.90 3h0rA1 VAL 157 HB -0.10 0.01 0.08 -0.04 2.12 2.07 3h0rA1 VAL 157 HG13 -0.07 0.04 0.03 -0.04 0.97 0.93 3h0rA1 VAL 157 HG23 0.03 -0.04 -0.15 -0.04 0.95 0.75 3h0rA1 LEU 158 H 0.16 0.10 -0.81 -0.55 8.37 7.27 3h0rA1 LEU 158 HA 0.31 0.19 0.21 -0.75 4.35 4.30 3h0rA1 LEU 158 HB2 0.44 0.15 -0.39 -0.04 1.64 1.80 3h0rA1 LEU 158 HB3 0.69 -0.01 0.15 -0.04 1.64 2.43 3h0rA1 LEU 158 HG 0.32 0.23 -0.05 -0.04 1.64 2.10 3h0rA1 LEU 158 HD13 0.34 0.01 -0.08 -0.04 0.93 1.16 3h0rA1 LEU 158 HD23 0.44 -0.02 0.01 -0.04 0.89 1.28 3h0rA1 SER 159 H 0.14 0.11 -0.17 -0.55 8.46 7.99 3h0rA1 SER 159 HA 0.21 0.14 0.68 -0.75 4.49 4.76 3h0rA1 SER 159 HB2 0.36 -0.08 0.10 -0.04 3.95 4.29 3h0rA1 SER 159 HB3 0.14 0.05 -0.07 -0.04 3.93 4.01 3h0rA1 ALA 160 H 0.21 0.54 -0.11 -0.55 8.40 8.49 3h0rA1 ALA 160 HA -0.35 0.13 0.11 -0.75 4.34 3.48 3h0rA1 ALA 160 HB3 0.00 -0.01 -0.08 -0.04 1.41 1.27 3h0rA1 PRO 161 HA 0.21 0.21 0.44 -0.51 4.44 4.78 3h0rA1 PRO 161 HB2 0.08 -0.15 0.02 -0.04 2.28 2.19 3h0rA1 PRO 161 HB3 0.19 0.14 0.11 -0.04 2.02 2.42 3h0rA1 PRO 161 HG2 -0.11 0.07 0.14 -0.04 2.03 2.08 3h0rA1 PRO 161 HG3 -0.26 0.01 0.10 -0.04 2.03 1.84 3h0rA1 PRO 161 HD2 -0.38 0.12 0.10 -0.04 3.68 3.47 3h0rA1 PRO 161 HD3 -1.56 0.13 0.12 -0.04 3.65 2.29 3h0rA1 VAL 162 H -0.03 0.25 -0.06 -0.55 8.24 7.84 3h0rA1 VAL 162 HA 0.11 0.27 0.87 -0.75 4.13 4.62 3h0rA1 VAL 162 HB 0.06 -0.08 -0.28 -0.04 2.12 1.79 3h0rA1 VAL 162 HG13 0.01 0.02 -0.04 -0.04 0.97 0.93 3h0rA1 VAL 162 HG23 0.08 -0.01 0.03 -0.04 0.95 1.01 3h0rA1 SER 163 H 0.14 0.49 0.36 -0.55 8.46 8.90 3h0rA1 SER 163 HA 0.04 0.16 0.98 -0.75 4.49 4.92 3h0rA1 SER 163 HB2 0.01 0.09 -0.40 -0.04 3.95 3.60 3h0rA1 SER 163 HB3 0.22 -0.05 -0.10 -0.04 3.93 3.95 3h0rA1 LEU 164 H 0.07 0.43 0.23 -0.55 8.37 8.55 3h0rA1 LEU 164 HA 0.13 0.35 1.11 -0.75 4.35 5.19 3h0rA1 LEU 164 HB2 0.05 0.08 0.23 -0.04 1.64 1.96 3h0rA1 LEU 164 HB3 0.06 -0.12 0.08 -0.04 1.64 1.62 3h0rA1 LEU 164 HG 0.05 0.10 0.08 -0.04 1.64 1.84 3h0rA1 LEU 164 HD13 0.06 0.05 -0.13 -0.04 0.93 0.87 3h0rA1 LEU 164 HD23 0.04 -0.02 -0.09 -0.04 0.89 0.78 3h0rA1 GLY 165 H 0.14 0.52 0.12 -0.55 8.43 8.66 3h0rA1 GLY 165 HA2 0.16 0.04 0.69 -0.51 4.01 4.39 3h0rA1 GLY 165 HA3 0.41 0.06 0.28 -0.51 4.01 4.25 3h0rA1 SER 166 H 0.11 0.15 0.10 -0.55 8.46 8.27 3h0rA1 SER 166 HA 0.04 0.37 0.68 -0.75 4.49 4.83 3h0rA1 SER 166 HB2 0.08 0.03 -0.13 -0.04 3.95 3.89 3h0rA1 SER 166 HB3 0.07 0.03 -0.17 -0.04 3.93 3.83 3h0rA1 ASP 167 H 0.05 0.62 0.13 -0.55 8.40 8.65 3h0rA1 ASP 167 HA 0.04 -0.24 0.89 -0.75 4.63 4.57 3h0rA1 ASP 167 HB2 -0.04 0.01 -0.25 -0.04 2.71 2.39 3h0rA1 ASP 167 HB3 -0.02 0.31 0.10 -0.04 2.70 3.05 3h0rA1 THR 168 H 0.10 -0.02 0.19 -0.55 8.28 8.01 3h0rA1 THR 168 HA -0.00 0.39 0.61 -0.75 4.39 4.64 3h0rA1 THR 168 HB 0.15 0.02 0.05 -0.04 4.32 4.49 3h0rA1 THR 168 HG23 -0.75 0.02 -0.03 -0.04 1.22 0.42 3h0rA1 GLY 169 H 0.04 -0.35 0.18 -0.55 8.43 7.75 3h0rA1 GLY 169 HA2 -0.20 0.25 0.58 -0.51 4.01 4.13 3h0rA1 GLY 169 HA3 -0.51 0.07 0.25 -0.51 4.01 3.30 3h0rA1 GLY 170 H -0.04 -0.24 0.14 -0.55 8.43 7.75 3h0rA1 GLY 170 HA2 -0.08 0.11 0.23 -0.51 4.01 3.76 3h0rA1 GLY 170 HA3 -0.10 0.35 0.92 -0.51 4.01 4.67 3h0rA1 SER 171 H 0.02 -0.28 0.27 -0.55 8.46 7.93 3h0rA1 SER 171 HA 0.03 0.37 0.20 -0.75 4.49 4.33 3h0rA1 SER 171 HB2 0.10 -0.07 0.32 -0.04 3.95 4.25 3h0rA1 SER 171 HB3 0.09 -0.07 0.29 -0.04 3.93 4.20 3h0rA1 ILE 172 H -0.03 -0.07 -0.35 -0.55 8.25 7.24 3h0rA1 ILE 172 HA 0.09 0.16 0.65 -0.75 4.18 4.32 3h0rA1 ILE 172 HB -0.16 -0.05 -0.22 -0.04 1.89 1.42 3h0rA1 ILE 172 HG12 -0.35 -0.00 -0.32 -0.04 1.49 0.78 3h0rA1 ILE 172 HG13 -0.03 -0.02 -0.61 -0.04 1.21 0.51 3h0rA1 ILE 172 HG23 -0.63 0.09 -0.56 -0.04 0.93 -0.22 3h0rA1 ILE 172 HD13 -0.12 0.07 -0.34 -0.04 0.88 0.44 3h0rA1 ARG 173 H -0.09 -0.06 -0.19 -0.55 8.46 7.57 3h0rA1 ARG 173 HA -0.10 0.12 0.16 -0.75 4.34 3.77 3h0rA1 ARG 173 HB2 -0.10 -0.01 0.05 -0.04 1.90 1.80 3h0rA1 ARG 173 HB3 -0.10 0.07 -0.08 -0.04 1.80 1.65 3h0rA1 ARG 173 HG2 -0.11 0.12 -0.17 -0.04 1.67 1.47 3h0rA1 ARG 173 HG3 -0.12 -0.18 -0.13 -0.04 1.67 1.20 3h0rA1 ARG 173 HD2 -0.08 0.08 -0.18 -0.04 3.22 2.99 3h0rA1 ARG 173 HD3 -0.09 0.07 -0.26 -0.04 3.22 2.91 3h0rA1 GLN 174 H -0.10 0.58 -0.01 -0.55 8.47 8.39 3h0rA1 GLN 174 HA -0.24 0.05 0.26 -0.75 4.36 3.68 3h0rA1 GLN 174 HB2 -0.32 0.06 0.05 -0.04 2.15 1.89 3h0rA1 GLN 174 HB3 -0.16 0.04 0.13 -0.04 2.02 1.99 3h0rA1 GLN 174 HG2 -0.14 0.08 -0.01 -0.04 2.40 2.29 3h0rA1 GLN 174 HG3 -0.25 0.01 -0.30 -0.04 2.39 1.82 3h0rA1 GLN 174 HE21 -0.15 0.10 0.09 -0.04 6.97 6.97 3h0rA1 GLN 174 HE22 -0.11 -0.36 0.02 -0.04 7.69 7.20 3h0rA1 PRO 175 HA -0.04 0.29 0.61 -0.51 4.44 4.79 3h0rA1 PRO 175 HB2 0.21 0.09 -0.26 -0.04 2.28 2.27 3h0rA1 PRO 175 HB3 0.03 0.08 -0.38 -0.04 2.02 1.71 3h0rA1 PRO 175 HG2 0.13 0.15 -0.34 -0.04 2.03 1.92 3h0rA1 PRO 175 HG3 0.01 -0.21 -0.48 -0.04 2.03 1.31 3h0rA1 PRO 175 HD2 0.05 0.11 -0.91 -0.04 3.68 2.90 3h0rA1 PRO 175 HD3 -0.05 0.14 -0.18 -0.04 3.65 3.51 3h0rA1 ALA 176 H 0.15 0.46 -0.39 -0.55 8.40 8.07 3h0rA1 ALA 176 HA 0.24 0.00 0.18 -0.75 4.34 4.01 3h0rA1 ALA 176 HB3 0.06 0.09 -0.09 -0.04 1.41 1.44 3h0rA1 SER 177 H -0.05 0.45 -0.22 -0.55 8.46 8.10 3h0rA1 SER 177 HA -0.06 0.00 0.21 -0.75 4.49 3.88 3h0rA1 SER 177 HB2 -0.10 -0.06 0.02 -0.04 3.95 3.77 3h0rA1 SER 177 HB3 -0.13 0.14 0.11 -0.04 3.93 4.00 3h0rA1 PHE 178 H 0.06 0.49 -0.15 -0.55 8.34 8.18 3h0rA1 PHE 178 HA -0.13 0.05 0.28 -0.75 4.62 4.06 3h0rA1 PHE 178 HB2 -0.07 0.15 -0.03 -0.04 3.15 3.17 3h0rA1 PHE 178 HB3 -0.10 0.01 -0.14 -0.04 3.06 2.79 3h0rA1 PHE 178 HD2 -0.20 -0.06 -0.27 -0.04 7.28 6.71 3h0rA1 PHE 178 HE2 -0.45 0.04 -0.07 -0.04 7.38 6.86 3h0rA1 PHE 178 HZ 0.09 -0.03 -0.11 -0.04 7.32 7.22 3h0rA1 CYS 179 H 0.14 0.45 -0.40 -0.55 8.50 8.14 3h0rA1 CYS 179 HA 0.32 0.11 0.79 -0.75 4.58 5.04 3h0rA1 CYS 179 HB2 0.14 0.07 -0.11 -0.04 2.97 3.02 3h0rA1 CYS 179 HB3 0.22 -0.03 -0.06 -0.04 2.97 3.07 3h0rA1 GLY 180 H -0.01 0.30 -0.33 -0.55 8.43 7.84 3h0rA1 GLY 180 HA2 -0.21 -0.07 0.28 -0.51 4.01 3.49 3h0rA1 GLY 180 HA3 -0.06 0.03 0.29 -0.51 4.01 3.76 3h0rA1 VAL 181 H 0.08 0.57 0.07 -0.55 8.24 8.41 3h0rA1 VAL 181 HA 0.17 0.13 0.76 -0.75 4.13 4.44 3h0rA1 VAL 181 HB 0.21 -0.08 -0.28 -0.04 2.12 1.93 3h0rA1 VAL 181 HG13 0.28 0.01 -0.16 -0.04 0.97 1.06 3h0rA1 VAL 181 HG23 0.26 0.04 -0.34 -0.04 0.95 0.87 3h0rA1 ILE 182 H 0.14 0.51 0.33 -0.55 8.25 8.68 3h0rA1 ILE 182 HA 0.02 0.27 0.80 -0.75 4.18 4.52 3h0rA1 ILE 182 HB 0.13 -0.09 -0.08 -0.04 1.89 1.80 3h0rA1 ILE 182 HG12 0.09 0.05 0.01 -0.04 1.49 1.60 3h0rA1 ILE 182 HG13 0.15 0.11 -0.04 -0.04 1.21 1.39 3h0rA1 ILE 182 HG23 0.05 -0.03 -0.24 -0.04 0.93 0.67 3h0rA1 ILE 182 HD13 0.27 -0.05 -0.36 -0.04 0.88 0.70 3h0rA1 GLY 183 H -0.04 0.56 0.28 -0.55 8.43 8.68 3h0rA1 GLY 183 HA2 -0.27 0.33 0.91 -0.51 4.01 4.46 3h0rA1 GLY 183 HA3 -0.28 -0.03 0.18 -0.51 4.01 3.37 3h0rA1 ILE 184 H -0.24 0.60 0.26 -0.55 8.25 8.33 3h0rA1 ILE 184 HA -0.14 0.28 1.17 -0.75 4.18 4.74 3h0rA1 ILE 184 HB -0.11 -0.02 -0.14 -0.04 1.89 1.58 3h0rA1 ILE 184 HG12 -0.15 0.00 -0.37 -0.04 1.49 0.93 3h0rA1 ILE 184 HG13 -0.12 0.09 -0.18 -0.04 1.21 0.95 3h0rA1 ILE 184 HG23 -0.14 0.01 -0.04 -0.04 0.93 0.71 3h0rA1 ILE 184 HD13 -0.23 -0.02 -0.17 -0.04 0.88 0.42 3h0rA1 LYS 185 H -0.12 0.71 0.29 -0.55 8.42 8.76 3h0rA1 LYS 185 HA -0.09 0.16 0.72 -0.75 4.32 4.37 3h0rA1 LYS 185 HB2 -0.09 -0.23 -0.02 -0.04 1.87 1.49 3h0rA1 LYS 185 HB3 -0.09 0.00 0.15 -0.04 1.79 1.82 3h0rA1 LYS 185 HG2 -0.04 0.32 -0.22 -0.04 1.46 1.48 3h0rA1 LYS 185 HG3 -0.03 -0.06 -0.01 -0.04 1.46 1.32 3h0rA1 LYS 185 HD2 -0.05 -0.25 -0.13 -0.04 1.69 1.22 3h0rA1 LYS 185 HD3 -0.07 -0.04 -0.08 -0.04 1.68 1.46 3h0rA1 LYS 185 HE2 0.02 0.07 -0.13 -0.04 2.99 2.91 3h0rA1 LYS 185 HE3 -0.04 -0.10 -0.21 -0.04 2.99 2.60 3h0rA1 PRO 186 HA -0.10 -0.01 0.49 -0.51 4.44 4.31 3h0rA1 PRO 186 HB2 0.07 0.06 0.05 -0.04 2.28 2.41 3h0rA1 PRO 186 HB3 -0.06 -0.03 0.04 -0.04 2.02 1.93 3h0rA1 PRO 186 HG2 0.03 0.08 -0.01 -0.04 2.03 2.09 3h0rA1 PRO 186 HG3 0.03 0.05 0.02 -0.04 2.03 2.08 3h0rA1 PRO 186 HD2 -0.03 0.20 0.12 -0.04 3.68 3.93 3h0rA1 PRO 186 HD3 -0.07 0.08 0.03 -0.04 3.65 3.64 3h0rA1 THR 187 H -0.04 -0.02 0.11 -0.55 8.28 7.78 3h0rA1 THR 187 HA -0.18 0.16 0.25 -0.75 4.39 3.86 3h0rA1 THR 187 HB -0.43 -0.04 -0.01 -0.04 4.32 3.80 3h0rA1 THR 187 HG23 -1.27 0.10 0.09 -0.04 1.22 0.11 3h0rA1 TYR 188 H -0.00 0.52 0.15 -0.55 8.29 8.41 3h0rA1 TYR 188 HA -0.02 0.04 0.58 -0.75 4.56 4.40 3h0rA1 TYR 188 HB2 -0.06 0.05 0.17 -0.04 3.06 3.18 3h0rA1 TYR 188 HB3 -0.07 -0.01 0.22 -0.04 2.98 3.08 3h0rA1 TYR 188 HD2 0.00 0.03 -0.13 -0.04 7.15 7.01 3h0rA1 TYR 188 HE2 0.02 -0.02 -0.08 -0.04 6.85 6.74 3h0rA1 GLY 189 H -0.44 0.15 0.22 -0.55 8.43 7.81 3h0rA1 GLY 189 HA2 -0.16 0.02 0.33 -0.51 4.01 3.68 3h0rA1 GLY 189 HA3 0.18 0.21 0.83 -0.51 4.01 4.72 3h0rA1 ARG 190 H 0.12 0.63 -0.13 -0.55 8.46 8.53 3h0rA1 ARG 190 HA 0.39 0.07 0.49 -0.75 4.34 4.53 3h0rA1 ARG 190 HB2 0.36 -0.08 0.07 -0.04 1.90 2.21 3h0rA1 ARG 190 HB3 0.21 0.01 -0.01 -0.04 1.80 1.97 3h0rA1 ARG 190 HG2 0.46 0.03 -0.03 -0.04 1.67 2.08 3h0rA1 ARG 190 HG3 0.39 0.00 0.08 -0.04 1.67 2.10 3h0rA1 ARG 190 HD2 0.54 -0.11 0.04 -0.04 3.22 3.66 3h0rA1 ARG 190 HD3 0.68 -0.08 0.01 -0.04 3.22 3.79 3h0rA1 VAL 191 H 0.04 0.06 -0.07 -0.55 8.24 7.73 3h0rA1 VAL 191 HA 0.09 0.55 1.05 -0.75 4.13 5.06 3h0rA1 VAL 191 HB 0.05 -0.08 0.10 -0.04 2.12 2.15 3h0rA1 VAL 191 HG13 0.06 0.07 -0.00 -0.04 0.97 1.05 3h0rA1 VAL 191 HG23 0.12 -0.01 -0.19 -0.04 0.95 0.84 3h0rA1 SER 192 H 0.04 0.29 0.12 -0.55 8.46 8.36 3h0rA1 SER 192 HA 0.01 0.05 0.37 -0.75 4.49 4.16 3h0rA1 SER 192 HB2 -0.02 0.12 0.10 -0.04 3.95 4.11 3h0rA1 SER 192 HB3 0.04 0.03 0.08 -0.04 3.93 4.04 3h0rA1 ARG 193 H 0.05 0.11 0.15 -0.55 8.46 8.22 3h0rA1 ARG 193 HA 0.06 0.21 0.83 -0.75 4.34 4.69 3h0rA1 ARG 193 HB2 0.06 -0.03 0.08 -0.04 1.90 1.97 3h0rA1 ARG 193 HB3 0.07 -0.02 0.15 -0.04 1.80 1.96 3h0rA1 ARG 193 HG2 0.04 -0.04 -0.13 -0.04 1.67 1.50 3h0rA1 ARG 193 HG3 -0.02 0.09 -0.19 -0.04 1.67 1.51 3h0rA1 ARG 193 HD2 -0.01 0.25 0.00 -0.04 3.22 3.42 3h0rA1 ARG 193 HD3 -0.03 -0.09 -0.01 -0.04 3.22 3.05 3h0rA1 TYR 194 H 0.17 0.05 -0.13 -0.55 8.29 7.82 3h0rA1 TYR 194 HA 0.07 0.14 0.63 -0.75 4.56 4.65 3h0rA1 TYR 194 HB2 -0.01 0.03 -0.02 -0.04 3.06 3.02 3h0rA1 TYR 194 HB3 0.02 -0.13 0.14 -0.04 2.98 2.97 3h0rA1 TYR 194 HD2 0.06 -0.00 -0.01 -0.04 7.15 7.15 3h0rA1 TYR 194 HE2 0.03 0.07 -0.03 -0.04 6.85 6.88 3h0rA1 GLY 195 H -0.15 0.29 0.20 -0.55 8.43 8.23 3h0rA1 GLY 195 HA2 -0.10 0.07 0.22 -0.51 4.01 3.70 3h0rA1 GLY 195 HA3 -0.08 0.02 0.65 -0.51 4.01 4.09 3h0rA1 LEU 196 H 0.02 0.39 -0.31 -0.55 8.37 7.93 3h0rA1 LEU 196 HA 0.02 0.18 0.86 -0.75 4.35 4.67 3h0rA1 LEU 196 HB2 0.05 -0.02 -0.08 -0.04 1.64 1.55 3h0rA1 LEU 196 HB3 0.06 0.11 0.08 -0.04 1.64 1.84 3h0rA1 LEU 196 HG 0.08 0.08 -0.37 -0.04 1.64 1.39 3h0rA1 LEU 196 HD13 0.06 -0.01 -0.16 -0.04 0.93 0.79 3h0rA1 LEU 196 HD23 0.07 -0.02 -0.13 -0.04 0.89 0.77 3h0rA1 VAL 197 H 0.04 0.71 0.17 -0.55 8.24 8.61 3h0rA1 VAL 197 HA 0.10 -0.00 0.39 -0.75 4.13 3.87 3h0rA1 VAL 197 HB 0.09 -0.10 0.13 -0.04 2.12 2.20 3h0rA1 VAL 197 HG13 0.30 0.02 -0.15 -0.04 0.97 1.10 3h0rA1 VAL 197 HG23 0.02 0.03 -0.07 -0.04 0.95 0.90 3h0rA1 ALA 198 H 0.12 0.11 0.19 -0.55 8.40 8.28 3h0rA1 ALA 198 HA 0.13 -0.06 0.26 -0.75 4.34 3.92 3h0rA1 ALA 198 HB3 0.08 0.01 0.04 -0.04 1.41 1.49 3h0rA1 PHE 199 H 0.22 0.02 -0.01 -0.55 8.34 8.02 3h0rA1 PHE 199 HA -0.01 0.21 0.63 -0.75 4.62 4.70 3h0rA1 PHE 199 HB2 0.06 0.10 -0.08 -0.04 3.15 3.19 3h0rA1 PHE 199 HB3 0.03 -0.14 0.12 -0.04 3.06 3.03 3h0rA1 PHE 199 HD2 -0.01 -0.03 -0.15 -0.04 7.28 7.04 3h0rA1 PHE 199 HE2 -0.03 -0.03 -0.15 -0.04 7.38 7.13 3h0rA1 PHE 199 HZ -0.07 -0.04 -0.13 -0.04 7.32 7.05 3h0rA1 ALA 200 H -0.25 0.13 0.06 -0.55 8.40 7.79 3h0rA1 ALA 200 HA -0.11 0.21 0.79 -0.75 4.34 4.48 3h0rA1 ALA 200 HB3 -0.50 0.05 0.07 -0.04 1.41 0.99 3h0rA1 SER 201 H -0.02 0.28 0.03 -0.55 8.46 8.20 3h0rA1 SER 201 HA 0.07 0.05 0.24 -0.75 4.49 4.09 3h0rA1 SER 201 HB2 0.02 -0.01 0.11 -0.04 3.95 4.03 3h0rA1 SER 201 HB3 0.07 0.06 -0.02 -0.04 3.93 4.01 3h0rA1 SER 202 H -0.07 0.02 -0.23 -0.55 8.46 7.64 3h0rA1 SER 202 HA -0.20 0.21 0.58 -0.75 4.49 4.32 3h0rA1 SER 202 HB2 -0.21 0.10 0.13 -0.04 3.95 3.92 3h0rA1 SER 202 HB3 -0.06 -0.06 0.04 -0.04 3.93 3.81 3h0rA1 LEU 203 H -0.12 0.12 -0.31 -0.55 8.37 7.51 3h0rA1 LEU 203 HA -0.18 0.33 0.92 -0.75 4.35 4.67 3h0rA1 LEU 203 HB2 -0.24 -0.15 0.09 -0.04 1.64 1.30 3h0rA1 LEU 203 HB3 -0.08 0.22 0.13 -0.04 1.64 1.88 3h0rA1 LEU 203 HG -0.21 -0.19 -0.30 -0.04 1.64 0.90 3h0rA1 LEU 203 HD13 -0.42 -0.03 -0.06 -0.04 0.93 0.38 3h0rA1 LEU 203 HD23 -0.11 0.07 -0.15 -0.04 0.89 0.65 3h0rA1 ASP 204 H 0.01 0.39 0.16 -0.55 8.40 8.41 3h0rA1 ASP 204 HA 0.05 -0.07 0.31 -0.75 4.63 4.17 3h0rA1 ASP 204 HB2 0.12 0.07 0.02 -0.04 2.71 2.88 3h0rA1 ASP 204 HB3 0.09 -0.05 -0.10 -0.04 2.70 2.60 3h0rA1 GLN 205 H 0.07 0.14 0.20 -0.55 8.47 8.34 3h0rA1 GLN 205 HA 0.04 0.06 0.15 -0.75 4.36 3.85 3h0rA1 GLN 205 HB2 0.10 0.17 -0.05 -0.04 2.15 2.33 3h0rA1 GLN 205 HB3 0.03 -0.08 0.04 -0.04 2.02 1.96 3h0rA1 GLN 205 HG2 0.00 0.10 -0.15 -0.04 2.40 2.31 3h0rA1 GLN 205 HG3 0.01 0.14 0.06 -0.04 2.39 2.57 3h0rA1 GLN 205 HE21 -0.52 -0.15 0.14 -0.04 6.97 6.40 3h0rA1 GLN 205 HE22 -0.01 0.48 0.52 -0.04 7.69 8.64 3h0rA1 ILE 206 H 0.03 0.19 0.05 -0.55 8.25 7.98 3h0rA1 ILE 206 HA 0.04 0.08 0.89 -0.75 4.18 4.43 3h0rA1 ILE 206 HB 0.04 0.07 0.10 -0.04 1.89 2.05 3h0rA1 ILE 206 HG12 0.04 -0.01 0.01 -0.04 1.49 1.49 3h0rA1 ILE 206 HG13 0.05 -0.13 0.01 -0.04 1.21 1.09 3h0rA1 ILE 206 HG23 0.04 0.01 -0.09 -0.04 0.93 0.85 3h0rA1 ILE 206 HD13 0.04 0.04 -0.04 -0.04 0.88 0.88 3h0rA1 GLY 207 H 0.00 0.51 0.29 -0.55 8.43 8.68 3h0rA1 GLY 207 HA2 -0.03 0.15 0.59 -0.51 4.01 4.20 3h0rA1 GLY 207 HA3 -0.10 0.15 0.43 -0.51 4.01 3.99 3h0rA1 VAL 208 H -0.16 0.46 0.29 -0.55 8.24 8.28 3h0rA1 VAL 208 HA 0.02 0.32 1.04 -0.75 4.13 4.75 3h0rA1 VAL 208 HB -0.04 -0.06 0.07 -0.04 2.12 2.05 3h0rA1 VAL 208 HG13 0.06 0.03 -0.08 -0.04 0.97 0.93 3h0rA1 VAL 208 HG23 0.03 -0.00 -0.26 -0.04 0.95 0.67 3h0rA1 PHE 209 H 0.28 0.51 0.25 -0.55 8.34 8.82 3h0rA1 PHE 209 HA 0.03 0.34 1.13 -0.75 4.62 5.37 3h0rA1 PHE 209 HB2 0.03 -0.08 -0.07 -0.04 3.15 2.99 3h0rA1 PHE 209 HB3 0.05 0.16 -0.06 -0.04 3.06 3.17 3h0rA1 PHE 209 HD2 0.02 0.06 -0.34 -0.04 7.28 6.97 3h0rA1 PHE 209 HE2 -0.00 -0.05 -0.23 -0.04 7.38 7.06 3h0rA1 PHE 209 HZ -0.01 -0.00 -0.01 -0.04 7.32 7.26 3h0rA1 GLY 210 H 0.21 0.82 0.32 -0.55 8.43 9.23 3h0rA1 GLY 210 HA2 0.17 0.29 0.67 -0.51 4.01 4.63 3h0rA1 GLY 210 HA3 0.14 -0.13 0.33 -0.51 4.01 3.84 3h0rA1 ARG 211 H 0.18 0.02 0.31 -0.55 8.46 8.42 3h0rA1 ARG 211 HA 0.29 0.19 1.05 -0.75 4.34 5.12 3h0rA1 ARG 211 HB2 0.25 -0.06 0.16 -0.04 1.90 2.20 3h0rA1 ARG 211 HB3 0.35 0.06 0.18 -0.04 1.80 2.35 3h0rA1 ARG 211 HG2 0.26 -0.05 -0.28 -0.04 1.67 1.56 3h0rA1 ARG 211 HG3 0.24 0.06 0.03 -0.04 1.67 1.96 3h0rA1 ARG 211 HD2 0.28 0.37 0.13 -0.04 3.22 3.96 3h0rA1 ARG 211 HD3 0.30 -0.02 0.08 -0.04 3.22 3.54 3h0rA1 ARG 212 H 0.15 -0.01 0.26 -0.55 8.46 8.30 3h0rA1 ARG 212 HA 0.11 0.32 0.96 -0.75 4.34 4.97 3h0rA1 ARG 212 HB2 0.05 -0.10 0.20 -0.04 1.90 2.01 3h0rA1 ARG 212 HB3 0.02 -0.12 0.08 -0.04 1.80 1.74 3h0rA1 ARG 212 HG2 -0.44 0.17 0.04 -0.04 1.67 1.39 3h0rA1 ARG 212 HG3 -0.08 0.09 -0.03 -0.04 1.67 1.61 3h0rA1 ARG 212 HD2 -0.08 -0.14 0.07 -0.04 3.22 3.03 3h0rA1 ARG 212 HD3 -0.10 -0.07 0.05 -0.04 3.22 3.06 3h0rA1 THR 213 H 0.19 0.31 0.10 -0.55 8.28 8.34 3h0rA1 THR 213 HA 0.15 0.09 0.24 -0.75 4.39 4.12 3h0rA1 THR 213 HB 0.35 0.01 0.03 -0.04 4.32 4.67 3h0rA1 THR 213 HG23 0.15 0.06 -0.04 -0.04 1.22 1.35 3h0rA1 GLU 214 H 0.14 0.10 -0.21 -0.55 8.60 8.09 3h0rA1 GLU 214 HA 0.06 0.12 0.45 -0.75 4.29 4.17 3h0rA1 GLU 214 HB2 0.07 -0.06 0.01 -0.04 2.09 2.06 3h0rA1 GLU 214 HB3 0.04 0.07 0.03 -0.04 1.99 2.09 3h0rA1 GLU 214 HG2 -0.06 0.08 -0.01 -0.04 2.34 2.31 3h0rA1 GLU 214 HG3 0.14 -0.07 0.01 -0.04 2.34 2.38 3h0rA1 ASP 215 H 0.09 0.09 -0.21 -0.55 8.40 7.81 3h0rA1 ASP 215 HA 0.08 0.06 0.46 -0.75 4.63 4.48 3h0rA1 ASP 215 HB2 0.11 0.12 0.24 -0.04 2.71 3.14 3h0rA1 ASP 215 HB3 0.09 0.11 0.09 -0.04 2.70 2.95 3h0rA1 VAL 216 H 0.09 0.38 -0.18 -0.55 8.24 7.99 3h0rA1 VAL 216 HA 0.06 0.06 0.23 -0.75 4.13 3.73 3h0rA1 VAL 216 HB 0.06 0.07 0.01 -0.04 2.12 2.22 3h0rA1 VAL 216 HG13 -0.03 -0.00 -0.24 -0.04 0.97 0.66 3h0rA1 VAL 216 HG23 0.08 -0.00 -0.29 -0.04 0.95 0.69 3h0rA1 ALA 217 H 0.07 0.57 -0.17 -0.55 8.40 8.32 3h0rA1 ALA 217 HA 0.03 0.01 0.28 -0.75 4.34 3.91 3h0rA1 ALA 217 HB3 0.11 -0.00 -0.07 -0.04 1.41 1.41 3h0rA1 LEU 218 H 0.11 0.47 -0.37 -0.55 8.37 8.03 3h0rA1 LEU 218 HA 0.14 -0.03 0.50 -0.75 4.35 4.21 3h0rA1 LEU 218 HB2 0.09 -0.01 0.10 -0.04 1.64 1.77 3h0rA1 LEU 218 HB3 0.09 0.10 0.17 -0.04 1.64 1.95 3h0rA1 LEU 218 HG 0.08 0.00 -0.27 -0.04 1.64 1.41 3h0rA1 LEU 218 HD13 0.07 -0.02 0.02 -0.04 0.93 0.96 3h0rA1 LEU 218 HD23 0.07 0.05 -0.02 -0.04 0.89 0.95 3h0rA1 VAL 219 H 0.10 0.53 0.01 -0.55 8.24 8.32 3h0rA1 VAL 219 HA 0.09 0.04 0.35 -0.75 4.13 3.85 3h0rA1 VAL 219 HB 0.08 0.05 0.09 -0.04 2.12 2.30 3h0rA1 VAL 219 HG13 0.07 -0.00 -0.17 -0.04 0.97 0.82 3h0rA1 VAL 219 HG23 0.06 0.01 -0.01 -0.04 0.95 0.98 3h0rA1 LEU 220 H 0.12 0.56 -0.22 -0.55 8.37 8.28 3h0rA1 LEU 220 HA 0.15 0.03 0.33 -0.75 4.35 4.11 3h0rA1 LEU 220 HB2 0.01 0.08 0.04 -0.04 1.64 1.73 3h0rA1 LEU 220 HB3 0.15 0.03 -0.02 -0.04 1.64 1.76 3h0rA1 LEU 220 HG 0.24 0.04 -0.12 -0.04 1.64 1.76 3h0rA1 LEU 220 HD13 -0.01 -0.01 -0.05 -0.04 0.93 0.82 3h0rA1 LEU 220 HD23 -0.71 -0.03 -0.11 -0.04 0.89 -0.01 3h0rA1 GLU 221 H 0.35 0.36 -0.31 -0.55 8.60 8.45 3h0rA1 GLU 221 HA 0.15 0.01 0.38 -0.75 4.29 4.07 3h0rA1 GLU 221 HB2 0.25 -0.11 0.21 -0.04 2.09 2.40 3h0rA1 GLU 221 HB3 0.15 0.15 0.24 -0.04 1.99 2.49 3h0rA1 GLU 221 HG2 -0.00 0.06 -0.24 -0.04 2.34 2.11 3h0rA1 GLU 221 HG3 -0.16 0.04 0.03 -0.04 2.34 2.20 3h0rA1 VAL 222 H 0.12 0.46 -0.17 -0.55 8.24 8.10 3h0rA1 VAL 222 HA 0.05 -0.02 0.36 -0.75 4.13 3.76 3h0rA1 VAL 222 HB 0.08 0.13 0.11 -0.04 2.12 2.40 3h0rA1 VAL 222 HG13 0.05 -0.04 -0.24 -0.04 0.97 0.69 3h0rA1 VAL 222 HG23 0.06 0.01 0.00 -0.04 0.95 0.98 3h0rA1 ILE 223 H 0.11 0.40 -0.29 -0.55 8.25 7.92 3h0rA1 ILE 223 HA 0.06 -0.02 -0.02 -0.75 4.18 3.45 3h0rA1 ILE 223 HB 0.06 -0.17 0.14 -0.04 1.89 1.88 3h0rA1 ILE 223 HG12 0.12 0.23 0.04 -0.04 1.49 1.84 3h0rA1 ILE 223 HG13 0.12 0.11 -0.17 -0.04 1.21 1.22 3h0rA1 ILE 223 HG23 0.06 0.05 -0.04 -0.04 0.93 0.96 3h0rA1 ILE 223 HD13 0.07 -0.06 -0.12 -0.04 0.88 0.73 3h0rA1 SER 224 H 0.06 0.31 -0.06 -0.55 8.46 8.22 3h0rA1 SER 224 HA 0.15 0.05 -0.24 -0.75 4.49 3.69 3h0rA1 SER 224 HB2 0.06 0.57 -0.01 -0.04 3.95 4.52 3h0rA1 SER 224 HB3 0.02 -0.15 0.14 -0.04 3.93 3.90 3h0rA1 GLY 225 H 0.05 -0.02 0.15 -0.55 8.43 8.06 3h0rA1 GLY 225 HA2 0.07 0.10 -0.12 -0.51 4.01 3.55 3h0rA1 GLY 225 HA3 0.07 -0.06 0.40 -0.51 4.01 3.90 3h0rA1 TRP 226 H 0.25 0.04 0.17 -0.55 7.97 7.88 3h0rA1 TRP 226 HA -0.01 0.15 0.50 -0.75 4.62 4.51 3h0rA1 TRP 226 HB2 -0.05 0.11 0.17 -0.04 3.23 3.41 3h0rA1 TRP 226 HB3 -0.04 -0.10 0.08 -0.04 3.23 3.14 3h0rA1 TRP 226 HD1 -0.02 0.17 -0.44 -0.04 7.22 6.89 3h0rA1 TRP 226 HE1 -0.02 0.08 -0.13 -0.04 10.20 10.09 3h0rA1 TRP 226 HE3 -0.03 0.00 -0.10 -0.04 7.59 7.42 3h0rA1 TRP 226 HZ2 -0.02 0.04 -0.06 -0.04 7.44 7.35 3h0rA1 TRP 226 HZ3 -0.03 -0.00 -0.05 -0.04 7.13 7.01 3h0rA1 TRP 226 HH2 -0.03 -0.00 -0.03 -0.04 7.19 7.09 3h0rA1 ASP 227 H -0.44 0.28 0.13 -0.55 8.40 7.82 3h0rA1 ASP 227 HA -0.65 0.15 0.79 -0.75 4.63 4.17 3h0rA1 ASP 227 HB2 -0.18 0.19 -0.05 -0.04 2.71 2.63 3h0rA1 ASP 227 HB3 -0.20 -0.04 0.15 -0.04 2.70 2.58 3h0rA1 GLU 228 H -0.96 0.21 0.09 -0.55 8.60 7.40 3h0rA1 GLU 228 HA -0.66 0.18 0.37 -0.75 4.29 3.42 3h0rA1 GLU 228 HB2 -0.24 0.03 0.01 -0.04 2.09 1.86 3h0rA1 GLU 228 HB3 -0.61 0.05 0.06 -0.04 1.99 1.45 3h0rA1 GLU 228 HG2 -0.54 0.06 0.05 -0.04 2.34 1.87 3h0rA1 GLU 228 HG3 -0.46 -0.14 0.10 -0.04 2.34 1.80 3h0rA1 LYS 229 H -0.42 0.02 -0.28 -0.55 8.42 7.18 3h0rA1 LYS 229 HA -0.24 0.18 0.59 -0.75 4.32 4.10 3h0rA1 LYS 229 HB2 -0.63 -0.05 0.01 -0.04 1.87 1.16 3h0rA1 LYS 229 HB3 -0.98 0.01 0.12 -0.04 1.79 0.91 3h0rA1 LYS 229 HG2 -0.42 0.06 -0.02 -0.04 1.46 1.04 3h0rA1 LYS 229 HG3 -0.39 -0.08 -0.03 -0.04 1.46 0.92 3h0rA1 LYS 229 HD2 -1.15 0.01 -0.01 -0.04 1.69 0.49 3h0rA1 LYS 229 HD3 -0.36 0.04 -0.01 -0.04 1.68 1.31 3h0rA1 LYS 229 HE2 -0.30 -0.01 0.01 -0.04 2.99 2.66 3h0rA1 LYS 229 HE3 -0.46 -0.07 0.01 -0.04 2.99 2.43 3h0rA1 ASP 230 H -0.22 0.49 -0.52 -0.55 8.40 7.60 3h0rA1 ASP 230 HA 0.03 0.14 0.92 -0.75 4.63 4.96 3h0rA1 ASP 230 HB2 0.02 -0.14 -0.02 -0.04 2.71 2.53 3h0rA1 ASP 230 HB3 -0.06 0.15 0.21 -0.04 2.70 2.96 3h0rA1 SER 231 H 0.05 0.16 0.09 -0.55 8.46 8.21 3h0rA1 SER 231 HA 0.09 0.14 0.33 -0.75 4.49 4.30 3h0rA1 SER 231 HB2 0.07 -0.06 0.12 -0.04 3.95 4.03 3h0rA1 SER 231 HB3 0.08 0.05 -0.01 -0.04 3.93 4.00 3h0rA1 THR 232 H 0.07 -0.06 -0.23 -0.55 8.28 7.51 3h0rA1 THR 232 HA 0.13 0.20 0.54 -0.75 4.39 4.50 3h0rA1 THR 232 HB 0.21 0.08 0.08 -0.04 4.32 4.65 3h0rA1 THR 232 HG23 0.16 -0.01 -0.05 -0.04 1.22 1.28 3h0rA1 SER 233 H 0.07 0.15 -0.34 -0.55 8.46 7.79 3h0rA1 SER 233 HA 0.07 0.14 0.64 -0.75 4.49 4.58 3h0rA1 SER 233 HB2 0.07 0.22 0.06 -0.04 3.95 4.25 3h0rA1 SER 233 HB3 0.00 -0.25 0.10 -0.04 3.93 3.75 3h0rA1 ALA 234 H 0.19 0.58 0.24 -0.55 8.40 8.86 3h0rA1 ALA 234 HA 0.11 0.10 0.44 -0.75 4.34 4.23 3h0rA1 ALA 234 HB3 0.01 0.02 -0.02 -0.04 1.41 1.38 3h0rA1 LYS 235 H -0.09 0.17 0.09 -0.55 8.42 8.03 3h0rA1 LYS 235 HA -0.27 0.07 0.67 -0.75 4.32 4.04 3h0rA1 LYS 235 HB2 -0.26 -0.00 0.21 -0.04 1.87 1.77 3h0rA1 LYS 235 HB3 -0.41 -0.02 0.15 -0.04 1.79 1.47 3h0rA1 LYS 235 HG2 -1.58 -0.02 -0.01 -0.04 1.46 -0.19 3h0rA1 LYS 235 HG3 -0.46 0.08 -0.02 -0.04 1.46 1.02 3h0rA1 LYS 235 HD2 -0.29 -0.00 0.04 -0.04 1.69 1.40 3h0rA1 LYS 235 HD3 -0.59 -0.03 0.01 -0.04 1.68 1.03 3h0rA1 LYS 235 HE2 -0.36 0.01 -0.04 -0.04 2.99 2.56 3h0rA1 LYS 235 HE3 -0.06 0.05 0.01 -0.04 2.99 2.94 3h0rA1 VAL 236 H -0.12 0.52 -0.21 -0.55 8.24 7.88 3h0rA1 VAL 236 HA -0.26 0.16 0.79 -0.75 4.13 4.07 3h0rA1 VAL 236 HB -0.43 0.02 -0.07 -0.04 2.12 1.60 3h0rA1 VAL 236 HG13 -0.48 0.05 -0.06 -0.04 0.97 0.44 3h0rA1 VAL 236 HG23 -0.85 -0.03 -0.27 -0.04 0.95 -0.24 3h0rA1 PRO 237 HA -0.10 0.00 0.54 -0.51 4.44 4.38 3h0rA1 PRO 237 HB2 -0.11 0.05 -0.11 -0.04 2.28 2.06 3h0rA1 PRO 237 HB3 -0.10 0.01 0.08 -0.04 2.02 1.96 3h0rA1 PRO 237 HG2 -0.12 0.02 0.06 -0.04 2.03 1.96 3h0rA1 PRO 237 HG3 -0.11 0.03 0.06 -0.04 2.03 1.97 3h0rA1 PRO 237 HD2 -0.19 0.10 0.22 -0.04 3.68 3.77 3h0rA1 PRO 237 HD3 -0.15 0.14 0.09 -0.04 3.65 3.68 3h0rA1 VAL 238 H -0.13 0.08 0.19 -0.55 8.24 7.83 3h0rA1 VAL 238 HA -0.29 0.17 0.71 -0.75 4.13 3.97 3h0rA1 VAL 238 HB -0.23 -0.06 0.17 -0.04 2.12 1.97 3h0rA1 VAL 238 HG13 -0.68 0.08 0.04 -0.04 0.97 0.37 3h0rA1 VAL 238 HG23 -0.05 0.01 0.07 -0.04 0.95 0.93 3h0rA1 PRO 239 HA -0.26 0.06 0.47 -0.51 4.44 4.20 3h0rA1 PRO 239 HB2 -0.65 -0.08 -0.08 -0.04 2.28 1.43 3h0rA1 PRO 239 HB3 -0.09 0.03 0.04 -0.04 2.02 1.95 3h0rA1 PRO 239 HG2 0.28 -0.03 0.10 -0.04 2.03 2.34 3h0rA1 PRO 239 HG3 -0.03 0.12 0.08 -0.04 2.03 2.16 3h0rA1 PRO 239 HD2 -1.13 0.03 0.21 -0.04 3.68 2.75 3h0rA1 PRO 239 HD3 -0.21 0.37 0.36 -0.04 3.65 4.13 3h0rA1 GLU 240 H -0.17 0.16 0.08 -0.55 8.60 8.12 3h0rA1 GLU 240 HA -0.17 0.14 0.50 -0.75 4.29 4.00 3h0rA1 GLU 240 HB2 -0.05 0.02 0.18 -0.04 2.09 2.20 3h0rA1 GLU 240 HB3 -0.03 -0.08 0.12 -0.04 1.99 1.96 3h0rA1 GLU 240 HG2 -0.07 0.03 0.03 -0.04 2.34 2.30 3h0rA1 GLU 240 HG3 -0.12 0.08 0.03 -0.04 2.34 2.29 3h0rA1 TRP 241 H -0.14 0.51 0.21 -0.55 7.97 8.00 3h0rA1 TRP 241 HA 0.02 0.03 0.14 -0.75 4.62 4.05 3h0rA1 TRP 241 HB2 0.03 0.19 0.10 -0.04 3.23 3.51 3h0rA1 TRP 241 HB3 0.03 -0.06 -0.03 -0.04 3.23 3.13 3h0rA1 TRP 241 HD1 0.04 -0.06 -0.16 -0.04 7.22 7.00 3h0rA1 TRP 241 HE1 0.06 -0.08 -0.02 -0.04 10.20 10.12 3h0rA1 TRP 241 HE3 0.04 0.07 -0.06 -0.04 7.59 7.60 3h0rA1 TRP 241 HZ2 0.11 -0.03 0.02 -0.04 7.44 7.50 3h0rA1 TRP 241 HZ3 0.05 0.19 -0.44 -0.04 7.13 6.89 3h0rA1 TRP 241 HH2 0.10 0.06 -0.05 -0.04 7.19 7.26 3h0rA1 SER 242 H 0.15 0.18 -0.15 -0.55 8.46 8.09 3h0rA1 SER 242 HA 0.09 0.06 0.40 -0.75 4.49 4.28 3h0rA1 SER 242 HB2 0.05 0.04 0.01 -0.04 3.95 4.01 3h0rA1 SER 242 HB3 0.09 0.04 0.02 -0.04 3.93 4.04 3h0rA1 GLU 243 H 0.05 0.21 -0.37 -0.55 8.60 7.94 3h0rA1 GLU 243 HA 0.01 0.16 0.72 -0.75 4.29 4.43 3h0rA1 GLU 243 HB2 0.01 0.02 0.06 -0.04 2.09 2.15 3h0rA1 GLU 243 HB3 0.01 0.01 0.08 -0.04 1.99 2.05 3h0rA1 GLU 243 HG2 0.01 -0.04 -0.08 -0.04 2.34 2.19 3h0rA1 GLU 243 HG3 0.00 0.01 0.01 -0.04 2.34 2.32 3h0rA1 GLU 244 H 0.09 0.27 -0.46 -0.55 8.60 7.96 3h0rA1 GLU 244 HA 0.05 0.19 0.75 -0.75 4.29 4.52 3h0rA1 GLU 244 HB2 0.13 0.18 -0.12 -0.04 2.09 2.25 3h0rA1 GLU 244 HB3 0.22 -0.01 -0.09 -0.04 1.99 2.07 3h0rA1 GLU 244 HG2 0.16 -0.07 -0.11 -0.04 2.34 2.28 3h0rA1 GLU 244 HG3 0.10 0.01 -0.00 -0.04 2.34 2.40 3h0rA1 VAL 245 H 0.03 0.38 0.04 -0.55 8.24 8.14 3h0rA1 VAL 245 HA 0.03 0.05 0.22 -0.75 4.13 3.68 3h0rA1 VAL 245 HB -0.17 0.01 -0.16 -0.04 2.12 1.76 3h0rA1 VAL 245 HG13 0.04 -0.01 -0.14 -0.04 0.97 0.83 3h0rA1 VAL 245 HG23 -0.10 0.02 -0.00 -0.04 0.95 0.83 3h0rA1 LYS 246 H -0.16 0.05 -0.41 -0.55 8.42 7.34 3h0rA1 LYS 246 HA -0.61 0.08 0.33 -0.75 4.32 3.36 3h0rA1 LYS 246 HB2 -0.12 0.02 -0.06 -0.04 1.87 1.67 3h0rA1 LYS 246 HB3 -0.06 0.01 -0.05 -0.04 1.79 1.65 3h0rA1 LYS 246 HG2 -0.33 0.02 -0.02 -0.04 1.46 1.09 3h0rA1 LYS 246 HG3 -0.56 -0.08 -0.07 -0.04 1.46 0.71 3h0rA1 LYS 246 HD2 -0.08 0.06 0.00 -0.04 1.69 1.63 3h0rA1 LYS 246 HD3 -0.03 0.02 -0.02 -0.04 1.68 1.60 3h0rA1 LYS 246 HE2 0.07 0.02 -0.02 -0.04 2.99 3.02 3h0rA1 LYS 246 HE3 0.02 -0.05 -0.02 -0.04 2.99 2.90 3h0rA1 LYS 247 H -0.01 0.09 -0.43 -0.55 8.42 7.52 3h0rA1 LYS 247 HA 0.04 0.03 0.46 -0.75 4.32 4.09 3h0rA1 LYS 247 HB2 0.05 0.14 -0.01 -0.04 1.87 2.01 3h0rA1 LYS 247 HB3 0.04 -0.06 0.02 -0.04 1.79 1.75 3h0rA1 LYS 247 HG2 0.02 -0.04 -0.00 -0.04 1.46 1.40 3h0rA1 LYS 247 HG3 0.02 0.07 0.11 -0.04 1.46 1.62 3h0rA1 LYS 247 HD2 0.04 -0.03 -0.00 -0.04 1.69 1.65 3h0rA1 LYS 247 HD3 0.03 -0.03 0.01 -0.04 1.68 1.65 3h0rA1 LYS 247 HE2 0.02 -0.04 0.02 -0.04 2.99 2.94 3h0rA1 LYS 247 HE3 0.02 0.22 0.06 -0.04 2.99 3.26 3h0rA1 GLU 248 H 0.05 0.15 0.12 -0.55 8.60 8.37 3h0rA1 GLU 248 HA 0.08 0.17 0.83 -0.75 4.29 4.62 3h0rA1 GLU 248 HB2 0.08 0.08 -0.10 -0.04 2.09 2.10 3h0rA1 GLU 248 HB3 0.04 -0.06 0.08 -0.04 1.99 2.00 3h0rA1 GLU 248 HG2 0.01 -0.04 -0.19 -0.04 2.34 2.07 3h0rA1 GLU 248 HG3 0.05 0.03 -0.02 -0.04 2.34 2.35 3h0rA1 VAL 249 H 0.05 0.21 0.07 -0.55 8.24 8.02 3h0rA1 VAL 249 HA 0.02 0.12 0.88 -0.75 4.13 4.39 3h0rA1 VAL 249 HB 0.05 -0.02 0.05 -0.04 2.12 2.16 3h0rA1 VAL 249 HG13 0.02 0.01 -0.14 -0.04 0.97 0.82 3h0rA1 VAL 249 HG23 0.05 -0.01 -0.15 -0.04 0.95 0.80 3h0rA1 LYS 250 H -0.01 0.12 0.13 -0.55 8.42 8.11 3h0rA1 LYS 250 HA -0.09 0.10 0.53 -0.75 4.32 4.11 3h0rA1 LYS 250 HB2 -0.02 -0.03 0.14 -0.04 1.87 1.92 3h0rA1 LYS 250 HB3 -0.03 0.04 -0.04 -0.04 1.79 1.72 3h0rA1 LYS 250 HG2 -0.04 0.04 -0.02 -0.04 1.46 1.40 3h0rA1 LYS 250 HG3 -0.02 -0.00 0.02 -0.04 1.46 1.42 3h0rA1 LYS 250 HD2 -0.02 -0.03 0.01 -0.04 1.69 1.61 3h0rA1 LYS 250 HD3 -0.04 0.02 0.03 -0.04 1.68 1.65 3h0rA1 LYS 250 HE2 -0.03 0.05 0.01 -0.04 2.99 2.97 3h0rA1 LYS 250 HE3 -0.01 -0.03 0.00 -0.04 2.99 2.91 3h0rA1 GLY 251 H -0.12 0.20 0.19 -0.55 8.43 8.16 3h0rA1 GLY 251 HA2 -0.06 0.12 0.38 -0.51 4.01 3.93 3h0rA1 GLY 251 HA3 -0.03 0.01 0.33 -0.51 4.01 3.81 3h0rA1 LEU 252 H -0.14 0.09 -0.15 -0.55 8.37 7.63 3h0rA1 LEU 252 HA 0.06 0.10 0.57 -0.75 4.35 4.33 3h0rA1 LEU 252 HB2 0.01 0.02 0.02 -0.04 1.64 1.65 3h0rA1 LEU 252 HB3 0.27 -0.03 -0.01 -0.04 1.64 1.83 3h0rA1 LEU 252 HG 0.02 0.08 -0.21 -0.04 1.64 1.48 3h0rA1 LEU 252 HD13 0.16 -0.01 -0.02 -0.04 0.93 1.02 3h0rA1 LEU 252 HD23 0.08 -0.01 -0.04 -0.04 0.89 0.89 3h0rA1 LYS 253 H 0.12 0.10 0.23 -0.55 8.42 8.31 3h0rA1 LYS 253 HA 0.13 0.32 1.12 -0.75 4.32 5.14 3h0rA1 LYS 253 HB2 0.07 -0.10 0.18 -0.04 1.87 1.98 3h0rA1 LYS 253 HB3 0.06 0.04 0.03 -0.04 1.79 1.88 3h0rA1 LYS 253 HG2 0.05 -0.01 -0.06 -0.04 1.46 1.40 3h0rA1 LYS 253 HG3 0.05 0.09 -0.28 -0.04 1.46 1.28 3h0rA1 LYS 253 HD2 0.04 0.17 0.06 -0.04 1.69 1.92 3h0rA1 LYS 253 HD3 0.03 -0.07 -0.02 -0.04 1.68 1.58 3h0rA1 LYS 253 HE2 0.03 0.06 0.00 -0.04 2.99 3.04 3h0rA1 LYS 253 HE3 0.04 0.00 -0.03 -0.04 2.99 2.97 3h0rA1 ILE 254 H 0.07 0.82 0.37 -0.55 8.25 8.96 3h0rA1 ILE 254 HA 0.05 0.22 1.11 -0.75 4.18 4.81 3h0rA1 ILE 254 HB -0.04 0.02 0.03 -0.04 1.89 1.86 3h0rA1 ILE 254 HG12 -0.10 -0.00 -0.18 -0.04 1.49 1.17 3h0rA1 ILE 254 HG13 0.02 -0.09 -0.52 -0.04 1.21 0.58 3h0rA1 ILE 254 HG23 -0.04 -0.01 -0.25 -0.04 0.93 0.58 3h0rA1 ILE 254 HD13 -0.54 0.01 -0.18 -0.04 0.88 0.12 3h0rA1 GLY 255 H 0.04 0.63 0.41 -0.55 8.43 8.96 3h0rA1 GLY 255 HA2 -0.02 0.33 0.83 -0.51 4.01 4.64 3h0rA1 GLY 255 HA3 -0.05 -0.02 0.30 -0.51 4.01 3.73 3h0rA1 LEU 256 H -0.03 0.62 0.40 -0.55 8.37 8.82 3h0rA1 LEU 256 HA 0.01 0.35 1.04 -0.75 4.35 4.99 3h0rA1 LEU 256 HB2 0.15 -0.10 0.12 -0.04 1.64 1.77 3h0rA1 LEU 256 HB3 0.22 0.05 0.02 -0.04 1.64 1.89 3h0rA1 LEU 256 HG 0.06 0.05 -0.18 -0.04 1.64 1.53 3h0rA1 LEU 256 HD13 0.13 -0.01 -0.11 -0.04 0.93 0.90 3h0rA1 LEU 256 HD23 0.16 0.03 -0.26 -0.04 0.89 0.78 3h0rA1 PRO 257 HA -0.46 0.19 0.46 -0.51 4.44 4.12 3h0rA1 PRO 257 HB2 -1.39 -0.09 0.10 -0.04 2.28 0.87 3h0rA1 PRO 257 HB3 -0.88 -0.05 -0.00 -0.04 2.02 1.04 3h0rA1 PRO 257 HG2 -0.85 0.09 -0.00 -0.04 2.03 1.23 3h0rA1 PRO 257 HG3 -0.51 0.03 -0.08 -0.04 2.03 1.43 3h0rA1 PRO 257 HD2 -0.16 0.17 0.22 -0.04 3.68 3.87 3h0rA1 PRO 257 HD3 -0.14 0.38 0.18 -0.04 3.65 4.03 3h0rA1 LYS 258 H -0.43 0.82 0.46 -0.55 8.42 8.72 3h0rA1 LYS 258 HA -1.25 0.11 0.43 -0.75 4.32 2.86 3h0rA1 LYS 258 HB2 -0.23 -0.10 0.15 -0.04 1.87 1.65 3h0rA1 LYS 258 HB3 -0.13 -0.00 0.03 -0.04 1.79 1.65 3h0rA1 LYS 258 HG2 0.04 -0.00 0.05 -0.04 1.46 1.51 3h0rA1 LYS 258 HG3 -0.17 0.11 0.10 -0.04 1.46 1.47 3h0rA1 LYS 258 HD2 -0.12 -0.03 -0.22 -0.04 1.69 1.28 3h0rA1 LYS 258 HD3 -0.06 -0.04 -0.04 -0.04 1.68 1.50 3h0rA1 LYS 258 HE2 0.01 -0.01 -0.03 -0.04 2.99 2.92 3h0rA1 LYS 258 HE3 -0.01 0.02 -0.08 -0.04 2.99 2.88 3h0rA1 GLU 259 H -0.44 0.03 -0.22 -0.55 8.60 7.42 3h0rA1 GLU 259 HA -0.12 0.12 0.40 -0.75 4.29 3.94 3h0rA1 GLU 259 HB2 -0.32 -0.00 0.01 -0.04 2.09 1.74 3h0rA1 GLU 259 HB3 -0.05 0.02 0.02 -0.04 1.99 1.94 3h0rA1 GLU 259 HG2 -0.13 0.08 -0.07 -0.04 2.34 2.18 3h0rA1 GLU 259 HG3 -0.12 0.06 -0.04 -0.04 2.34 2.20 3h0rA1 PHE 260 H -0.53 0.33 -0.37 -0.55 8.34 7.21 3h0rA1 PHE 260 HA -1.25 0.07 0.50 -0.75 4.62 3.19 3h0rA1 PHE 260 HB2 -0.46 0.23 0.08 -0.04 3.15 2.96 3h0rA1 PHE 260 HB3 -0.43 0.02 0.05 -0.04 3.06 2.66 3h0rA1 PHE 260 HD2 -0.85 0.03 -0.09 -0.04 7.28 6.33 3h0rA1 PHE 260 HE2 -0.14 0.01 -0.09 -0.04 7.38 7.12 3h0rA1 PHE 260 HZ -0.04 -0.00 -0.05 -0.04 7.32 7.19 3h0rA1 PHE 261 H -0.29 0.33 -0.38 -0.55 8.34 7.45 3h0rA1 PHE 261 HA 0.02 0.08 0.46 -0.75 4.62 4.43 3h0rA1 PHE 261 HB2 0.00 0.10 0.09 -0.04 3.15 3.30 3h0rA1 PHE 261 HB3 0.01 -0.04 0.05 -0.04 3.06 3.04 3h0rA1 PHE 261 HD2 0.00 0.00 -0.01 -0.04 7.28 7.23 3h0rA1 PHE 261 HE2 0.01 -0.02 -0.05 -0.04 7.38 7.28 3h0rA1 PHE 261 HZ -0.01 -0.01 -0.07 -0.04 7.32 7.19 3h0rA1 GLU 262 H 0.15 0.22 -0.39 -0.55 8.60 8.03 3h0rA1 GLU 262 HA 0.13 0.09 0.42 -0.75 4.29 4.18 3h0rA1 GLU 262 HB2 0.17 0.16 0.07 -0.04 2.09 2.45 3h0rA1 GLU 262 HB3 0.10 -0.06 0.10 -0.04 1.99 2.09 3h0rA1 GLU 262 HG2 0.11 0.00 -0.02 -0.04 2.34 2.39 3h0rA1 GLU 262 HG3 0.06 -0.05 0.02 -0.04 2.34 2.33 3h0rA1 TYR 263 H 0.29 0.32 -0.73 -0.55 8.29 7.63 3h0rA1 TYR 263 HA -0.02 -0.03 0.42 -0.75 4.56 4.18 3h0rA1 TYR 263 HB2 -0.03 0.38 0.12 -0.04 3.06 3.50 3h0rA1 TYR 263 HB3 -0.09 -0.00 -0.12 -0.04 2.98 2.72 3h0rA1 TYR 263 HD2 -0.15 -0.02 -0.12 -0.04 7.15 6.82 3h0rA1 TYR 263 HE2 -0.14 0.03 -0.15 -0.04 6.85 6.55 3h0rA1 GLU 264 H -0.01 0.07 0.15 -0.55 8.60 8.26 3h0rA1 GLU 264 HA 0.03 0.07 0.52 -0.75 4.29 4.16 3h0rA1 GLU 264 HB2 -0.03 -0.05 0.16 -0.04 2.09 2.14 3h0rA1 GLU 264 HB3 -0.01 0.01 0.02 -0.04 1.99 1.98 3h0rA1 GLU 264 HG2 -0.00 0.02 0.04 -0.04 2.34 2.36 3h0rA1 GLU 264 HG3 -0.01 0.04 0.11 -0.04 2.34 2.44 3h0rA1 LEU 265 H 0.03 0.19 0.24 -0.55 8.37 8.29 3h0rA1 LEU 265 HA 0.01 0.24 1.01 -0.75 4.35 4.85 3h0rA1 LEU 265 HB2 0.03 -0.03 0.09 -0.04 1.64 1.69 3h0rA1 LEU 265 HB3 0.01 0.00 -0.00 -0.04 1.64 1.60 3h0rA1 LEU 265 HG 0.01 0.09 -0.16 -0.04 1.64 1.54 3h0rA1 LEU 265 HD13 0.01 -0.02 -0.03 -0.04 0.93 0.85 3h0rA1 LEU 265 HD23 -0.07 -0.03 -0.01 -0.04 0.89 0.74 3h0rA1 GLN 266 H 0.01 0.75 0.35 -0.55 8.47 9.03 3h0rA1 GLN 266 HA 0.01 0.15 0.75 -0.75 4.36 4.52 3h0rA1 GLN 266 HB2 0.01 0.08 0.29 -0.04 2.15 2.49 3h0rA1 GLN 266 HB3 0.00 -0.17 0.08 -0.04 2.02 1.89 3h0rA1 GLN 266 HG2 0.01 0.04 0.13 -0.04 2.40 2.53 3h0rA1 GLN 266 HG3 0.01 0.10 0.13 -0.04 2.39 2.59 3h0rA1 GLN 266 HE21 0.01 0.08 0.03 -0.04 6.97 7.05 3h0rA1 GLN 266 HE22 0.01 0.03 0.04 -0.04 7.69 7.72 3h0rA1 PRO 267 HA 0.02 0.10 0.39 -0.51 4.44 4.43 3h0rA1 PRO 267 HB2 0.01 -0.00 0.07 -0.04 2.28 2.32 3h0rA1 PRO 267 HB3 0.01 0.06 0.09 -0.04 2.02 2.14 3h0rA1 PRO 267 HG2 0.01 0.05 0.11 -0.04 2.03 2.16 3h0rA1 PRO 267 HG3 0.01 0.10 0.13 -0.04 2.03 2.23 3h0rA1 PRO 267 HD2 0.01 0.06 0.25 -0.04 3.68 3.95 3h0rA1 PRO 267 HD3 0.01 0.26 0.33 -0.04 3.65 4.20 3h0rA1 GLN 268 H 0.01 0.14 -0.19 -0.55 8.47 7.88 3h0rA1 GLN 268 HA 0.01 0.08 0.37 -0.75 4.36 4.07 3h0rA1 GLN 268 HB2 -0.01 -0.01 -0.00 -0.04 2.15 2.09 3h0rA1 GLN 268 HB3 -0.00 0.05 -0.05 -0.04 2.02 1.97 3h0rA1 GLN 268 HG2 0.01 0.05 -0.06 -0.04 2.40 2.35 3h0rA1 GLN 268 HG3 0.01 -0.00 -0.01 -0.04 2.39 2.35 3h0rA1 GLN 268 HE21 0.01 0.02 0.01 -0.04 6.97 6.97 3h0rA1 GLN 268 HE22 0.01 0.02 -0.02 -0.04 7.69 7.66 3h0rA1 VAL 269 H 0.00 0.12 -0.31 -0.55 8.24 7.51 3h0rA1 VAL 269 HA -0.01 0.05 0.32 -0.75 4.13 3.74 3h0rA1 VAL 269 HB -0.00 0.13 0.08 -0.04 2.12 2.29 3h0rA1 VAL 269 HG13 -0.04 0.05 -0.05 -0.04 0.97 0.89 3h0rA1 VAL 269 HG23 -0.01 -0.02 -0.22 -0.04 0.95 0.66 3h0rA1 LYS 270 H 0.03 0.55 -0.11 -0.55 8.42 8.33 3h0rA1 LYS 270 HA 0.09 0.04 0.34 -0.75 4.32 4.04 3h0rA1 LYS 270 HB2 0.03 0.08 0.00 -0.04 1.87 1.95 3h0rA1 LYS 270 HB3 0.03 0.05 0.12 -0.04 1.79 1.96 3h0rA1 LYS 270 HG2 0.06 -0.04 -0.05 -0.04 1.46 1.38 3h0rA1 LYS 270 HG3 0.06 0.03 0.02 -0.04 1.46 1.53 3h0rA1 LYS 270 HD2 0.02 0.04 -0.00 -0.04 1.69 1.71 3h0rA1 LYS 270 HD3 0.02 0.00 -0.03 -0.04 1.68 1.63 3h0rA1 LYS 270 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.94 3h0rA1 LYS 270 HE3 0.02 -0.02 -0.06 -0.04 2.99 2.89 3h0rA1 GLU 271 H 0.04 0.66 -0.10 -0.55 8.60 8.65 3h0rA1 GLU 271 HA 0.03 -0.02 0.35 -0.75 4.29 3.90 3h0rA1 GLU 271 HB2 0.02 0.13 0.17 -0.04 2.09 2.37 3h0rA1 GLU 271 HB3 0.03 -0.00 -0.05 -0.04 1.99 1.92 3h0rA1 GLU 271 HG2 0.02 -0.03 0.03 -0.04 2.34 2.32 3h0rA1 GLU 271 HG3 0.02 0.01 0.03 -0.04 2.34 2.36 3h0rA1 ALA 272 H 0.03 0.60 -0.16 -0.55 8.40 8.32 3h0rA1 ALA 272 HA 0.02 0.01 0.37 -0.75 4.34 3.98 3h0rA1 ALA 272 HB3 -0.01 0.03 0.00 -0.04 1.41 1.39 3h0rA1 PHE 273 H 0.17 0.61 -0.23 -0.55 8.34 8.33 3h0rA1 PHE 273 HA 0.01 0.02 0.34 -0.75 4.62 4.24 3h0rA1 PHE 273 HB2 -0.03 0.01 0.04 -0.04 3.15 3.13 3h0rA1 PHE 273 HB3 0.01 0.10 0.11 -0.04 3.06 3.24 3h0rA1 PHE 273 HD2 0.02 0.01 -0.14 -0.04 7.28 7.13 3h0rA1 PHE 273 HE2 0.11 0.02 -0.16 -0.04 7.38 7.31 3h0rA1 PHE 273 HZ 0.05 0.07 -0.44 -0.04 7.32 6.96 3h0rA1 GLU 274 H 0.10 0.68 0.02 -0.55 8.60 8.86 3h0rA1 GLU 274 HA -0.14 -0.00 0.41 -0.75 4.29 3.80 3h0rA1 GLU 274 HB2 0.01 0.11 0.13 -0.04 2.09 2.30 3h0rA1 GLU 274 HB3 -0.02 -0.06 0.00 -0.04 1.99 1.87 3h0rA1 GLU 274 HG2 0.03 -0.05 0.01 -0.04 2.34 2.30 3h0rA1 GLU 274 HG3 0.09 0.25 0.03 -0.04 2.34 2.67 3h0rA1 ASN 275 H -0.00 0.52 -0.26 -0.55 8.53 8.24 3h0rA1 ASN 275 HA -0.01 -0.02 0.42 -0.75 4.76 4.39 3h0rA1 ASN 275 HB2 0.03 0.01 0.09 -0.04 2.88 2.97 3h0rA1 ASN 275 HB3 0.04 0.18 0.11 -0.04 2.79 3.08 3h0rA1 ASN 275 HD21 0.06 -0.00 -0.00 -0.04 7.03 7.04 3h0rA1 ASN 275 HD22 0.04 -0.04 0.02 -0.04 7.74 7.72 3h0rA1 PHE 276 H 0.01 0.48 -0.17 -0.55 8.34 8.10 3h0rA1 PHE 276 HA -0.34 0.04 0.41 -0.75 4.62 3.97 3h0rA1 PHE 276 HB2 -0.36 0.08 0.11 -0.04 3.15 2.94 3h0rA1 PHE 276 HB3 -0.47 0.18 0.20 -0.04 3.06 2.92 3h0rA1 PHE 276 HD2 -1.42 0.03 -0.03 -0.04 7.28 5.81 3h0rA1 PHE 276 HE2 -1.06 0.01 -0.12 -0.04 7.38 6.16 3h0rA1 PHE 276 HZ -0.46 -0.02 -0.17 -0.04 7.32 6.63 3h0rA1 ILE 277 H -0.40 0.50 -0.28 -0.55 8.25 7.52 3h0rA1 ILE 277 HA -0.62 0.02 0.35 -0.75 4.18 3.18 3h0rA1 ILE 277 HB -0.37 0.12 0.10 -0.04 1.89 1.70 3h0rA1 ILE 277 HG12 -1.19 0.22 -0.03 -0.04 1.49 0.44 3h0rA1 ILE 277 HG13 -0.80 -0.04 -0.11 -0.04 1.21 0.22 3h0rA1 ILE 277 HG23 -0.20 -0.02 -0.17 -0.04 0.93 0.50 3h0rA1 ILE 277 HD13 -0.51 -0.02 -0.15 -0.04 0.88 0.16 3h0rA1 LYS 278 H -0.16 0.63 0.00 -0.55 8.42 8.34 3h0rA1 LYS 278 HA -0.07 0.00 0.50 -0.75 4.32 4.00 3h0rA1 LYS 278 HB2 -0.03 0.10 0.19 -0.04 1.87 2.09 3h0rA1 LYS 278 HB3 -0.02 -0.05 0.01 -0.04 1.79 1.70 3h0rA1 LYS 278 HG2 -0.04 -0.05 0.05 -0.04 1.46 1.37 3h0rA1 LYS 278 HG3 -0.06 0.16 0.06 -0.04 1.46 1.57 3h0rA1 LYS 278 HD2 -0.01 0.00 -0.05 -0.04 1.69 1.59 3h0rA1 LYS 278 HD3 -0.01 -0.03 -0.01 -0.04 1.68 1.59 3h0rA1 LYS 278 HE2 -0.02 -0.02 -0.02 -0.04 2.99 2.89 3h0rA1 LYS 278 HE3 -0.03 0.01 -0.04 -0.04 2.99 2.89 3h0rA1 GLU 279 H -0.04 0.65 -0.20 -0.55 8.60 8.46 3h0rA1 GLU 279 HA 0.06 -0.01 0.37 -0.75 4.29 3.95 3h0rA1 GLU 279 HB2 0.15 0.27 0.15 -0.04 2.09 2.61 3h0rA1 GLU 279 HB3 0.31 0.06 0.02 -0.04 1.99 2.34 3h0rA1 GLU 279 HG2 0.23 0.02 -0.01 -0.04 2.34 2.54 3h0rA1 GLU 279 HG3 0.19 -0.02 0.01 -0.04 2.34 2.49 3h0rA1 LEU 280 H -0.21 0.38 -0.25 -0.55 8.37 7.74 3h0rA1 LEU 280 HA 0.08 0.04 0.51 -0.75 4.35 4.23 3h0rA1 LEU 280 HB2 -0.45 0.08 0.12 -0.04 1.64 1.34 3h0rA1 LEU 280 HB3 -0.42 -0.09 -0.06 -0.04 1.64 1.02 3h0rA1 LEU 280 HG -0.67 0.14 0.02 -0.04 1.64 1.09 3h0rA1 LEU 280 HD13 -1.32 -0.03 -0.15 -0.04 0.93 -0.61 3h0rA1 LEU 280 HD23 -0.42 -0.02 -0.05 -0.04 0.89 0.36 3h0rA1 GLU 281 H -0.07 0.67 -0.12 -0.55 8.60 8.54 3h0rA1 GLU 281 HA 0.06 0.21 0.54 -0.75 4.29 4.35 3h0rA1 GLU 281 HB2 -0.04 0.01 0.15 -0.04 2.09 2.18 3h0rA1 GLU 281 HB3 -0.02 0.16 0.24 -0.04 1.99 2.33 3h0rA1 GLU 281 HG2 0.00 -0.04 -0.08 -0.04 2.34 2.18 3h0rA1 GLU 281 HG3 0.02 0.05 0.08 -0.04 2.34 2.45 3h0rA1 LYS 282 H 0.03 0.55 -0.14 -0.55 8.42 8.30 3h0rA1 LYS 282 HA 0.03 -0.02 0.37 -0.75 4.32 3.95 3h0rA1 LYS 282 HB2 0.06 0.22 0.14 -0.04 1.87 2.24 3h0rA1 LYS 282 HB3 0.04 -0.06 0.00 -0.04 1.79 1.74 3h0rA1 LYS 282 HG2 0.02 -0.07 0.05 -0.04 1.46 1.42 3h0rA1 LYS 282 HG3 0.02 0.15 0.04 -0.04 1.46 1.63 3h0rA1 LYS 282 HD2 0.04 0.01 -0.03 -0.04 1.69 1.67 3h0rA1 LYS 282 HD3 0.04 -0.02 0.00 -0.04 1.68 1.66 3h0rA1 LYS 282 HE2 0.02 -0.03 -0.01 -0.04 2.99 2.93 3h0rA1 LYS 282 HE3 0.02 -0.01 -0.03 -0.04 2.99 2.92 3h0rA1 GLU 283 H 0.11 0.30 -0.49 -0.55 8.60 7.97 3h0rA1 GLU 283 HA 0.06 0.06 0.60 -0.75 4.29 4.25 3h0rA1 GLU 283 HB2 0.27 0.09 0.11 -0.04 2.09 2.52 3h0rA1 GLU 283 HB3 0.13 -0.08 0.13 -0.04 1.99 2.13 3h0rA1 GLU 283 HG2 0.13 0.14 0.03 -0.04 2.34 2.60 3h0rA1 GLU 283 HG3 0.20 -0.04 0.00 -0.04 2.34 2.47 3h0rA1 GLY 284 H 0.06 0.52 -0.30 -0.55 8.43 8.15 3h0rA1 GLY 284 HA2 -0.02 0.01 0.22 -0.51 4.01 3.71 3h0rA1 GLY 284 HA3 -0.09 0.07 0.70 -0.51 4.01 4.18 3h0rA1 PHE 285 H 0.18 0.37 0.04 -0.55 8.34 8.38 3h0rA1 PHE 285 HA -0.01 0.12 0.64 -0.75 4.62 4.61 3h0rA1 PHE 285 HB2 -0.06 0.02 -0.22 -0.04 3.15 2.85 3h0rA1 PHE 285 HB3 -0.05 -0.02 -0.21 -0.04 3.06 2.75 3h0rA1 PHE 285 HD2 -0.01 0.13 -0.15 -0.04 7.28 7.21 3h0rA1 PHE 285 HE2 0.04 -0.02 -0.08 -0.04 7.38 7.27 3h0rA1 PHE 285 HZ 0.06 -0.03 -0.06 -0.04 7.32 7.25 3h0rA1 GLU 286 H 0.09 0.47 0.27 -0.55 8.60 8.88 3h0rA1 GLU 286 HA 0.04 0.11 0.83 -0.75 4.29 4.52 3h0rA1 GLU 286 HB2 0.02 0.04 0.09 -0.04 2.09 2.21 3h0rA1 GLU 286 HB3 0.04 -0.03 0.10 -0.04 1.99 2.06 3h0rA1 GLU 286 HG2 0.02 0.03 -0.17 -0.04 2.34 2.18 3h0rA1 GLU 286 HG3 0.02 -0.01 0.04 -0.04 2.34 2.35 3h0rA1 ILE 287 H 0.02 0.19 0.16 -0.55 8.25 8.07 3h0rA1 ILE 287 HA 0.01 0.21 0.87 -0.75 4.18 4.52 3h0rA1 ILE 287 HB -0.01 -0.04 0.14 -0.04 1.89 1.94 3h0rA1 ILE 287 HG12 0.00 0.11 -0.09 -0.04 1.49 1.47 3h0rA1 ILE 287 HG13 -0.06 0.00 -0.07 -0.04 1.21 1.04 3h0rA1 ILE 287 HG23 -0.02 -0.01 -0.18 -0.04 0.93 0.68 3h0rA1 ILE 287 HD13 -0.07 0.01 -0.31 -0.04 0.88 0.47 3h0rA1 LYS 288 H 0.01 0.82 0.37 -0.55 8.42 9.07 3h0rA1 LYS 288 HA 0.01 0.12 0.92 -0.75 4.32 4.62 3h0rA1 LYS 288 HB2 0.00 -0.02 -0.10 -0.04 1.87 1.71 3h0rA1 LYS 288 HB3 -0.00 0.05 -0.06 -0.04 1.79 1.73 3h0rA1 LYS 288 HG2 0.01 0.03 -0.19 -0.04 1.46 1.27 3h0rA1 LYS 288 HG3 0.02 -0.02 -0.34 -0.04 1.46 1.08 3h0rA1 LYS 288 HD2 0.02 0.01 -0.07 -0.04 1.69 1.61 3h0rA1 LYS 288 HD3 0.01 0.07 -0.12 -0.04 1.68 1.59 3h0rA1 LYS 288 HE2 -0.00 -0.00 -0.01 -0.04 2.99 2.93 3h0rA1 LYS 288 HE3 0.00 -0.03 -0.02 -0.04 2.99 2.91 3h0rA1 GLU 289 H 0.02 0.14 0.18 -0.55 8.60 8.39 3h0rA1 GLU 289 HA 0.00 0.19 0.84 -0.75 4.29 4.57 3h0rA1 GLU 289 HB2 0.02 -0.03 0.20 -0.04 2.09 2.24 3h0rA1 GLU 289 HB3 0.02 0.00 0.06 -0.04 1.99 2.03 3h0rA1 GLU 289 HG2 0.23 0.06 0.04 -0.04 2.34 2.63 3h0rA1 GLU 289 HG3 0.09 -0.01 0.05 -0.04 2.34 2.43 3h0rA1 VAL 290 H -0.16 0.40 0.08 -0.55 8.24 8.01 3h0rA1 VAL 290 HA -0.12 0.27 0.92 -0.75 4.13 4.44 3h0rA1 VAL 290 HB -0.20 0.00 0.11 -0.04 2.12 1.99 3h0rA1 VAL 290 HG13 -0.10 0.04 -0.18 -0.04 0.97 0.70 3h0rA1 VAL 290 HG23 -0.28 -0.03 -0.31 -0.04 0.95 0.29 3h0rA1 SER 291 H -0.18 0.29 0.17 -0.55 8.46 8.19 3h0rA1 SER 291 HA -0.25 -0.01 0.93 -0.75 4.49 4.41 3h0rA1 SER 291 HB2 -0.14 0.06 0.13 -0.04 3.95 3.96 3h0rA1 SER 291 HB3 -0.15 -0.01 0.03 -0.04 3.93 3.76 3h0rA1 LEU 292 H -0.32 0.10 -0.01 -0.55 8.37 7.60 3h0rA1 LEU 292 HA -0.28 0.26 0.65 -0.75 4.35 4.22 3h0rA1 LEU 292 HB2 -0.45 -0.08 0.20 -0.04 1.64 1.27 3h0rA1 LEU 292 HB3 -0.44 0.02 0.12 -0.04 1.64 1.29 3h0rA1 LEU 292 HG -0.61 -0.11 -0.34 -0.04 1.64 0.54 3h0rA1 LEU 292 HD13 -0.95 0.02 -0.07 -0.04 0.93 -0.11 3h0rA1 LEU 292 HD23 -0.81 0.10 -0.16 -0.04 0.89 -0.02 3h0rA1 PRO 293 HA -0.17 0.05 0.28 -0.51 4.44 4.09 3h0rA1 PRO 293 HB2 -0.46 0.07 -0.04 -0.04 2.28 1.81 3h0rA1 PRO 293 HB3 -0.19 0.04 0.09 -0.04 2.02 1.92 3h0rA1 PRO 293 HG2 -0.20 0.05 0.01 -0.04 2.03 1.85 3h0rA1 PRO 293 HG3 -0.14 0.10 0.02 -0.04 2.03 1.96 3h0rA1 PRO 293 HD2 -0.14 0.20 0.04 -0.04 3.68 3.73 3h0rA1 PRO 293 HD3 -0.16 0.09 -0.12 -0.04 3.65 3.42 3h0rA1 HIS 294 H -0.03 0.06 -0.49 -0.55 8.41 7.40 3h0rA1 HIS 294 HA 0.24 0.24 0.86 -0.75 4.63 5.21 3h0rA1 HIS 294 HB2 0.04 0.04 -0.14 -0.04 3.26 3.16 3h0rA1 HIS 294 HB3 0.12 0.02 0.02 -0.04 3.20 3.31 3h0rA1 HIS 294 HD2 -0.05 0.01 -0.04 -0.04 6.97 6.85 3h0rA1 HIS 294 HE1 -0.02 0.04 -0.05 -0.04 7.75 7.66 3h0rA1 VAL 295 H -0.00 0.41 -0.02 -0.55 8.24 8.08 3h0rA1 VAL 295 HA 0.16 0.05 0.21 -0.75 4.13 3.80 3h0rA1 VAL 295 HB 0.29 0.06 -0.09 -0.04 2.12 2.34 3h0rA1 VAL 295 HG13 -0.05 0.00 0.04 -0.04 0.97 0.92 3h0rA1 VAL 295 HG23 -0.14 0.11 0.03 -0.04 0.95 0.91 3h0rA1 LYS 296 H 0.04 0.15 -0.33 -0.55 8.42 7.73 3h0rA1 LYS 296 HA 0.09 0.09 0.35 -0.75 4.32 4.11 3h0rA1 LYS 296 HB2 -0.11 0.03 0.09 -0.04 1.87 1.83 3h0rA1 LYS 296 HB3 -0.00 0.00 0.06 -0.04 1.79 1.81 3h0rA1 LYS 296 HG2 -0.44 0.02 -0.04 -0.04 1.46 0.95 3h0rA1 LYS 296 HG3 -0.80 0.02 -0.29 -0.04 1.46 0.34 3h0rA1 LYS 296 HD2 -0.22 0.00 -0.02 -0.04 1.69 1.41 3h0rA1 LYS 296 HD3 -0.15 0.01 -0.00 -0.04 1.68 1.49 3h0rA1 LYS 296 HE2 -0.45 0.02 -0.02 -0.04 2.99 2.50 3h0rA1 LYS 296 HE3 -0.50 -0.02 -0.05 -0.04 2.99 2.38 3h0rA1 TYR 297 H 0.12 0.56 -0.37 -0.55 8.29 8.04 3h0rA1 TYR 297 HA 0.04 0.09 0.59 -0.75 4.56 4.52 3h0rA1 TYR 297 HB2 0.07 0.19 0.07 -0.04 3.06 3.35 3h0rA1 TYR 297 HB3 0.03 -0.08 0.11 -0.04 2.98 3.00 3h0rA1 TYR 297 HD2 0.06 0.03 0.07 -0.04 7.15 7.28 3h0rA1 TYR 297 HE2 0.02 0.02 0.01 -0.04 6.85 6.85 3h0rA1 SER 298 H 0.14 0.78 -0.31 -0.55 8.46 8.53 3h0rA1 SER 298 HA 0.11 0.01 0.24 -0.75 4.49 4.10 3h0rA1 SER 298 HB2 0.13 0.18 0.15 -0.04 3.95 4.37 3h0rA1 SER 298 HB3 0.07 -0.10 -0.10 -0.04 3.93 3.77 3h0rA1 ILE 299 H 0.08 0.26 -0.31 -0.55 8.25 7.73 3h0rA1 ILE 299 HA 0.13 0.03 0.09 -0.75 4.18 3.68 3h0rA1 ILE 299 HB 0.04 0.11 0.09 -0.04 1.89 2.09 3h0rA1 ILE 299 HG12 0.02 0.06 -0.05 -0.04 1.49 1.48 3h0rA1 ILE 299 HG13 0.01 0.01 -0.05 -0.04 1.21 1.14 3h0rA1 ILE 299 HG23 0.15 -0.00 -0.25 -0.04 0.93 0.78 3h0rA1 ILE 299 HD13 0.11 -0.03 -0.19 -0.04 0.88 0.73 3h0rA1 PRO 300 HA 0.14 0.06 0.49 -0.51 4.44 4.62 3h0rA1 PRO 300 HB2 0.12 0.09 0.01 -0.04 2.28 2.46 3h0rA1 PRO 300 HB3 0.09 0.03 0.03 -0.04 2.02 2.13 3h0rA1 PRO 300 HG2 0.11 0.07 0.06 -0.04 2.03 2.23 3h0rA1 PRO 300 HG3 0.07 0.02 0.04 -0.04 2.03 2.12 3h0rA1 PRO 300 HD2 0.10 0.06 -0.15 -0.04 3.68 3.64 3h0rA1 PRO 300 HD3 0.06 0.11 0.08 -0.04 3.65 3.86 3h0rA1 THR 301 H 0.11 0.55 -0.29 -0.55 8.28 8.09 3h0rA1 THR 301 HA -0.01 0.01 0.39 -0.75 4.39 4.03 3h0rA1 THR 301 HB 0.06 0.15 0.10 -0.04 4.32 4.60 3h0rA1 THR 301 HG23 -0.05 -0.02 -0.11 -0.04 1.22 1.00 3h0rA1 TYR 302 H 0.14 0.66 -0.06 -0.55 8.29 8.48 3h0rA1 TYR 302 HA -0.16 -0.02 0.38 -0.75 4.56 4.01 3h0rA1 TYR 302 HB2 -0.13 0.08 0.11 -0.04 3.06 3.07 3h0rA1 TYR 302 HB3 -0.18 0.11 0.13 -0.04 2.98 3.00 3h0rA1 TYR 302 HD2 -0.90 0.07 -0.11 -0.04 7.15 6.18 3h0rA1 TYR 302 HE2 -0.41 0.20 -0.08 -0.04 6.85 6.52 3h0rA1 TYR 303 H 0.21 0.53 -0.30 -0.55 8.29 8.17 3h0rA1 TYR 303 HA -0.10 0.04 0.52 -0.75 4.56 4.27 3h0rA1 TYR 303 HB2 0.02 0.16 0.12 -0.04 3.06 3.32 3h0rA1 TYR 303 HB3 -0.05 -0.05 0.15 -0.04 2.98 2.99 3h0rA1 TYR 303 HD2 -0.15 0.11 -0.01 -0.04 7.15 7.06 3h0rA1 TYR 303 HE2 -0.29 0.01 -0.06 -0.04 6.85 6.47 3h0rA1 ILE 304 H -0.00 0.24 -0.72 -0.55 8.25 7.23 3h0rA1 ILE 304 HA 0.12 0.12 0.72 -0.75 4.18 4.38 3h0rA1 ILE 304 HB -0.01 0.13 0.15 -0.04 1.89 2.12 3h0rA1 ILE 304 HG12 0.22 -0.06 0.01 -0.04 1.49 1.62 3h0rA1 ILE 304 HG13 0.10 0.13 -0.17 -0.04 1.21 1.22 3h0rA1 ILE 304 HG23 0.12 -0.00 -0.27 -0.04 0.93 0.73 3h0rA1 ILE 304 HD13 -0.07 -0.02 -0.04 -0.04 0.88 0.70 3h0rA1 ILE 305 H -0.11 0.59 0.16 -0.55 8.25 8.34 3h0rA1 ILE 305 HA 0.03 0.00 0.40 -0.75 4.18 3.87 3h0rA1 ILE 305 HB -0.24 0.03 0.16 -0.04 1.89 1.80 3h0rA1 ILE 305 HG12 -0.46 -0.04 0.00 -0.04 1.49 0.96 3h0rA1 ILE 305 HG13 -0.20 0.11 0.09 -0.04 1.21 1.17 3h0rA1 ILE 305 HG23 -0.17 -0.01 -0.13 -0.04 0.93 0.58 3h0rA1 ILE 305 HD13 -0.21 0.01 -0.19 -0.04 0.88 0.44 3h0rA1 ALA 306 H -0.49 0.66 0.10 -0.55 8.40 8.12 3h0rA1 ALA 306 HA -0.48 -0.08 0.33 -0.75 4.34 3.36 3h0rA1 ALA 306 HB3 -0.94 0.01 0.04 -0.04 1.41 0.48 3h0rA1 PRO 307 HA 0.04 0.01 0.36 -0.51 4.44 4.34 3h0rA1 PRO 307 HB2 0.04 0.09 -0.13 -0.04 2.28 2.24 3h0rA1 PRO 307 HB3 0.04 0.00 0.12 -0.04 2.02 2.14 3h0rA1 PRO 307 HG2 0.09 0.29 -0.08 -0.04 2.03 2.29 3h0rA1 PRO 307 HG3 0.06 -0.06 -0.02 -0.04 2.03 1.97 3h0rA1 PRO 307 HD2 -0.06 0.16 -0.66 -0.04 3.68 3.07 3h0rA1 PRO 307 HD3 -0.25 0.12 0.02 -0.04 3.65 3.50 3h0rA1 SER 308 H 0.02 0.47 -0.38 -0.55 8.46 8.02 3h0rA1 SER 308 HA -0.01 0.01 0.53 -0.75 4.49 4.26 3h0rA1 SER 308 HB2 0.19 0.10 0.21 -0.04 3.95 4.41 3h0rA1 SER 308 HB3 -0.12 -0.08 0.01 -0.04 3.93 3.70 3h0rA1 GLU 309 H -0.00 0.63 0.09 -0.55 8.60 8.77 3h0rA1 GLU 309 HA -0.07 -0.01 0.40 -0.75 4.29 3.86 3h0rA1 GLU 309 HB2 -0.09 0.10 0.21 -0.04 2.09 2.26 3h0rA1 GLU 309 HB3 -0.04 -0.20 0.18 -0.04 1.99 1.88 3h0rA1 GLU 309 HG2 0.04 -0.01 0.07 -0.04 2.34 2.40 3h0rA1 GLU 309 HG3 0.11 0.31 0.13 -0.04 2.34 2.84 3h0rA1 ALA 310 H 0.00 0.54 -0.26 -0.55 8.40 8.14 3h0rA1 ALA 310 HA 0.06 0.22 0.54 -0.75 4.34 4.41 3h0rA1 ALA 310 HB3 0.15 -0.03 -0.02 -0.04 1.41 1.47 3h0rA1 SER 311 H -0.04 0.62 -0.10 -0.55 8.46 8.38 3h0rA1 SER 311 HA -0.12 -0.01 0.39 -0.75 4.49 4.00 3h0rA1 SER 311 HB2 -0.07 -0.03 0.16 -0.04 3.95 3.98 3h0rA1 SER 311 HB3 -0.05 0.10 0.29 -0.04 3.93 4.22 3h0rA1 SER 312 H -0.07 0.37 -0.29 -0.55 8.46 7.93 3h0rA1 SER 312 HA -0.08 0.04 0.48 -0.75 4.49 4.18 3h0rA1 SER 312 HB2 -0.09 0.00 0.08 -0.04 3.95 3.90 3h0rA1 SER 312 HB3 -0.07 0.09 0.18 -0.04 3.93 4.09 3h0rA1 ASN 313 H -0.04 0.73 0.07 -0.55 8.53 8.74 3h0rA1 ASN 313 HA -0.05 -0.02 0.43 -0.75 4.76 4.37 3h0rA1 ASN 313 HB2 0.02 0.22 0.09 -0.04 2.88 3.16 3h0rA1 ASN 313 HB3 0.03 0.02 0.04 -0.04 2.79 2.84 3h0rA1 ASN 313 HD21 0.02 -0.33 -0.08 -0.04 7.03 6.59 3h0rA1 ASN 313 HD22 0.04 0.51 -0.39 -0.04 7.74 7.86 3h0rA1 LEU 314 H -0.09 0.36 -0.59 -0.55 8.37 7.50 3h0rA1 LEU 314 HA 0.01 0.12 0.90 -0.75 4.35 4.62 3h0rA1 LEU 314 HB2 -0.22 0.24 0.07 -0.04 1.64 1.69 3h0rA1 LEU 314 HB3 -0.16 -0.06 0.08 -0.04 1.64 1.45 3h0rA1 LEU 314 HG -0.52 -0.07 0.03 -0.04 1.64 1.03 3h0rA1 LEU 314 HD13 -0.23 0.03 -0.15 -0.04 0.93 0.54 3h0rA1 LEU 314 HD23 -0.90 -0.02 -0.04 -0.04 0.89 -0.12 3h0rA1 ALA 315 H -0.09 0.42 -0.19 -0.55 8.40 7.99 3h0rA1 ALA 315 HA -0.05 0.06 0.44 -0.75 4.34 4.04 3h0rA1 ALA 315 HB3 -0.10 0.02 0.14 -0.04 1.41 1.44 3h0rA1 ARG 316 H -0.25 0.14 -0.54 -0.55 8.46 7.25 3h0rA1 ARG 316 HA -0.17 0.07 0.31 -0.75 4.34 3.80 3h0rA1 ARG 316 HB2 -0.16 -0.06 0.06 -0.04 1.90 1.71 3h0rA1 ARG 316 HB3 -0.19 0.01 0.01 -0.04 1.80 1.58 3h0rA1 ARG 316 HG2 -0.92 0.10 -0.06 -0.04 1.67 0.75 3h0rA1 ARG 316 HG3 -0.82 -0.05 -0.30 -0.04 1.67 0.46 3h0rA1 ARG 316 HD2 -0.24 -0.01 -0.01 -0.04 3.22 2.92 3h0rA1 ARG 316 HD3 -0.07 -0.07 -0.03 -0.04 3.22 3.01 3h0rA1 TYR 317 H -0.15 0.40 -0.35 -0.55 8.29 7.64 3h0rA1 TYR 317 HA 0.02 -0.02 0.69 -0.75 4.56 4.50 3h0rA1 TYR 317 HB2 0.19 0.10 0.16 -0.04 3.06 3.47 3h0rA1 TYR 317 HB3 0.05 -0.02 0.03 -0.04 2.98 3.00 3h0rA1 TYR 317 HD2 0.24 0.06 0.01 -0.04 7.15 7.42 3h0rA1 TYR 317 HE2 -0.03 0.04 -0.04 -0.04 6.85 6.77 3h0rA1 ASP 318 H -0.02 -0.05 0.24 -0.55 8.40 8.02 3h0rA1 ASP 318 HA 0.07 0.21 0.78 -0.75 4.63 4.93 3h0rA1 ASP 318 HB2 0.27 -0.05 0.06 -0.04 2.71 2.95 3h0rA1 ASP 318 HB3 -0.06 0.21 -0.36 -0.04 2.70 2.45 3h0rA1 GLY 319 H -0.03 0.05 0.19 -0.55 8.43 8.09 3h0rA1 GLY 319 HA2 -0.03 0.33 0.27 -0.51 4.01 4.08 3h0rA1 GLY 319 HA3 -0.08 0.04 0.47 -0.51 4.01 3.93 3h0rA1 VAL 320 H -0.10 -0.05 -0.24 -0.55 8.24 7.29 3h0rA1 VAL 320 HA -0.09 0.21 0.73 -0.75 4.13 4.22 3h0rA1 VAL 320 HB -0.06 -0.05 0.08 -0.04 2.12 2.04 3h0rA1 VAL 320 HG13 -0.04 -0.00 -0.13 -0.04 0.97 0.76 3h0rA1 VAL 320 HG23 -0.02 0.03 -0.10 -0.04 0.95 0.82 3h0rA1 ARG 321 H -0.28 0.03 0.12 -0.55 8.46 7.77 3h0rA1 ARG 321 HA -0.01 0.23 0.71 -0.75 4.34 4.51 3h0rA1 ARG 321 HB2 -0.29 0.01 0.04 -0.04 1.90 1.62 3h0rA1 ARG 321 HB3 0.09 0.01 0.08 -0.04 1.80 1.94 3h0rA1 ARG 321 HG2 -0.00 0.03 -0.05 -0.04 1.67 1.61 3h0rA1 ARG 321 HG3 -0.08 -0.10 -0.07 -0.04 1.67 1.38 3h0rA1 ARG 321 HD2 0.05 -0.00 -0.00 -0.04 3.22 3.23 3h0rA1 ARG 321 HD3 -0.01 -0.01 -0.01 -0.04 3.22 3.15 3h0rA1 TYR 322 H -0.23 0.14 -0.02 -0.55 8.29 7.63 3h0rA1 TYR 322 HA 0.15 0.13 0.48 -0.75 4.56 4.57 3h0rA1 TYR 322 HB2 0.43 -0.05 0.08 -0.04 3.06 3.48 3h0rA1 TYR 322 HB3 0.28 0.16 -0.04 -0.04 2.98 3.35 3h0rA1 TYR 322 HD2 0.09 0.08 -0.28 -0.04 7.15 7.00 3h0rA1 TYR 322 HE2 0.19 -0.00 -0.08 -0.04 6.85 6.91 3h0rA1 GLY 323 H 0.40 0.08 0.07 -0.55 8.43 8.43 3h0rA1 GLY 323 HA2 0.27 0.02 0.25 -0.51 4.01 4.04 3h0rA1 GLY 323 HA3 0.28 0.13 0.37 -0.51 4.01 4.28 3h0rA1 TYR 324 H 0.24 0.49 0.23 -0.55 8.29 8.70 3h0rA1 TYR 324 HA 0.05 0.01 0.40 -0.75 4.56 4.26 3h0rA1 TYR 324 HB2 0.03 0.18 0.16 -0.04 3.06 3.39 3h0rA1 TYR 324 HB3 -0.02 -0.09 0.16 -0.04 2.98 2.99 3h0rA1 TYR 324 HD2 -0.00 0.02 -0.14 -0.04 7.15 6.98 3h0rA1 TYR 324 HE2 0.01 -0.04 -0.10 -0.04 6.85 6.68 3h0rA1 ARG 325 H -0.49 0.23 0.16 -0.55 8.46 7.81 3h0rA1 ARG 325 HA -0.15 0.04 0.55 -0.75 4.34 4.03 3h0rA1 ARG 325 HB2 -0.10 0.12 0.02 -0.04 1.90 1.90 3h0rA1 ARG 325 HB3 -0.13 -0.04 0.08 -0.04 1.80 1.67 3h0rA1 ARG 325 HG2 -0.04 0.09 -0.11 -0.04 1.67 1.57 3h0rA1 ARG 325 HG3 -0.18 -0.11 0.06 -0.04 1.67 1.41 3h0rA1 ARG 325 HD2 -0.22 -0.05 0.06 -0.04 3.22 2.97 3h0rA1 ARG 325 HD3 -0.10 0.17 0.09 -0.04 3.22 3.33 3h0rA1 ALA 326 H -0.10 0.10 0.07 -0.55 8.40 7.93 3h0rA1 ALA 326 HA -0.14 0.04 0.39 -0.75 4.34 3.87 3h0rA1 ALA 326 HB3 0.11 0.01 -0.08 -0.04 1.41 1.40 3h0rA1 LYS 327 H 0.02 0.07 0.15 -0.55 8.42 8.11 3h0rA1 LYS 327 HA 0.01 0.22 0.57 -0.75 4.32 4.36 3h0rA1 LYS 327 HB2 0.01 -0.05 0.14 -0.04 1.87 1.94 3h0rA1 LYS 327 HB3 -0.02 -0.01 0.00 -0.04 1.79 1.73 3h0rA1 LYS 327 HG2 -0.03 0.02 0.03 -0.04 1.46 1.45 3h0rA1 LYS 327 HG3 -0.05 0.07 0.00 -0.04 1.46 1.44 3h0rA1 LYS 327 HD2 0.02 -0.01 0.02 -0.04 1.69 1.68 3h0rA1 LYS 327 HD3 -0.00 -0.03 0.01 -0.04 1.68 1.62 3h0rA1 LYS 327 HE2 -0.00 -0.02 0.00 -0.04 2.99 2.93 3h0rA1 LYS 327 HE3 -0.01 0.04 0.00 -0.04 2.99 2.98 3h0rA1 GLU 328 H 0.06 0.06 -0.01 -0.55 8.60 8.16 3h0rA1 GLU 328 HA -0.13 0.21 0.80 -0.75 4.29 4.41 3h0rA1 GLU 328 HB2 0.03 -0.04 0.11 -0.04 2.09 2.15 3h0rA1 GLU 328 HB3 0.01 -0.01 -0.12 -0.04 1.99 1.83 3h0rA1 GLU 328 HG2 -0.04 0.04 -0.03 -0.04 2.34 2.27 3h0rA1 GLU 328 HG3 -0.02 -0.01 -0.10 -0.04 2.34 2.17 3h0rA1 TYR 329 H -0.35 0.34 0.10 -0.55 8.29 7.83 3h0rA1 TYR 329 HA 0.02 0.03 0.41 -0.75 4.56 4.27 3h0rA1 TYR 329 HB2 -0.00 -0.21 -0.13 -0.04 3.06 2.67 3h0rA1 TYR 329 HB3 -0.01 0.21 -0.29 -0.04 2.98 2.86 3h0rA1 TYR 329 HD2 -0.03 -0.07 -0.55 -0.04 7.15 6.46 3h0rA1 TYR 329 HE2 -0.06 0.12 -0.11 -0.04 6.85 6.77 3h0rA1 LYS 330 H 0.14 0.10 0.15 -0.55 8.42 8.26 3h0rA1 LYS 330 HA 0.02 0.24 0.70 -0.75 4.32 4.53 3h0rA1 LYS 330 HB2 0.06 -0.03 0.05 -0.04 1.87 1.91 3h0rA1 LYS 330 HB3 0.03 0.05 0.12 -0.04 1.79 1.94 3h0rA1 LYS 330 HG2 0.01 0.07 -0.09 -0.04 1.46 1.40 3h0rA1 LYS 330 HG3 0.04 -0.07 -0.05 -0.04 1.46 1.35 3h0rA1 LYS 330 HD2 0.03 0.01 -0.02 -0.04 1.69 1.67 3h0rA1 LYS 330 HD3 0.03 -0.00 0.00 -0.04 1.68 1.66 3h0rA1 LYS 330 HE2 0.00 0.01 -0.01 -0.04 2.99 2.96 3h0rA1 LYS 330 HE3 0.01 0.01 -0.03 -0.04 2.99 2.94 3h0rA1 ASP 331 H 0.18 0.07 0.05 -0.55 8.40 8.16 3h0rA1 ASP 331 HA 0.09 0.21 0.49 -0.75 4.63 4.67 3h0rA1 ASP 331 HB2 0.07 -0.00 0.14 -0.04 2.71 2.87 3h0rA1 ASP 331 HB3 0.06 0.29 -0.14 -0.04 2.70 2.87 3h0rA1 ILE 332 H 0.03 0.27 0.16 -0.55 8.25 8.15 3h0rA1 ILE 332 HA -0.22 0.10 0.10 -0.75 4.18 3.41 3h0rA1 ILE 332 HB -0.09 0.06 0.13 -0.04 1.89 1.95 3h0rA1 ILE 332 HG12 -0.25 0.03 -0.05 -0.04 1.49 1.19 3h0rA1 ILE 332 HG13 -0.73 -0.04 0.12 -0.04 1.21 0.52 3h0rA1 ILE 332 HG23 0.05 0.01 0.01 -0.04 0.93 0.96 3h0rA1 ILE 332 HD13 -0.26 0.03 0.01 -0.04 0.88 0.62 3h0rA1 PHE 333 H 0.19 0.04 -0.34 -0.55 8.34 7.68 3h0rA1 PHE 333 HA 0.17 0.13 0.54 -0.75 4.62 4.71 3h0rA1 PHE 333 HB2 0.06 0.03 0.08 -0.04 3.15 3.28 3h0rA1 PHE 333 HB3 0.04 -0.05 0.05 -0.04 3.06 3.06 3h0rA1 PHE 333 HD2 0.06 -0.01 -0.15 -0.04 7.28 7.14 3h0rA1 PHE 333 HE2 0.03 0.03 -0.02 -0.04 7.38 7.38 3h0rA1 PHE 333 HZ 0.03 0.04 -0.01 -0.04 7.32 7.34 3h0rA1 GLU 334 H 0.22 0.24 0.01 -0.55 8.60 8.53 3h0rA1 GLU 334 HA 0.16 0.07 0.45 -0.75 4.29 4.22 3h0rA1 GLU 334 HB2 0.17 -0.16 0.25 -0.04 2.09 2.31 3h0rA1 GLU 334 HB3 0.16 0.08 0.09 -0.04 1.99 2.28 3h0rA1 GLU 334 HG2 0.21 0.07 0.05 -0.04 2.34 2.63 3h0rA1 GLU 334 HG3 0.23 -0.02 0.05 -0.04 2.34 2.55 3h0rA1 MET 335 H -0.10 0.30 -0.24 -0.55 8.47 7.88 3h0rA1 MET 335 HA -0.33 0.05 0.29 -0.75 4.52 3.77 3h0rA1 MET 335 HB2 -0.90 -0.09 -0.06 -0.04 2.15 1.06 3h0rA1 MET 335 HB3 -0.55 0.12 0.09 -0.04 2.03 1.64 3h0rA1 MET 335 HG2 -0.45 0.03 -0.20 -0.04 2.63 1.97 3h0rA1 MET 335 HG3 -1.12 0.03 -0.05 -0.04 2.56 1.38 3h0rA1 MET 335 HE3 -0.42 -0.01 -0.12 -0.04 2.10 1.51 3h0rA1 TYR 336 H -0.23 0.54 -0.10 -0.55 8.29 7.94 3h0rA1 TYR 336 HA -0.15 0.15 0.47 -0.75 4.56 4.29 3h0rA1 TYR 336 HB2 -0.27 0.09 0.32 -0.04 3.06 3.15 3h0rA1 TYR 336 HB3 -0.23 -0.02 0.06 -0.04 2.98 2.75 3h0rA1 TYR 336 HD2 -0.11 -0.00 0.09 -0.04 7.15 7.08 3h0rA1 TYR 336 HE2 -0.07 -0.05 -0.01 -0.04 6.85 6.68 3h0rA1 ALA 337 H -0.15 0.63 0.05 -0.55 8.40 8.38 3h0rA1 ALA 337 HA -0.10 0.05 0.22 -0.75 4.34 3.76 3h0rA1 ALA 337 HB3 -0.25 -0.01 0.11 -0.04 1.41 1.21 3h0rA1 ARG 338 H -0.00 0.59 -0.21 -0.55 8.46 8.28 3h0rA1 ARG 338 HA 0.05 0.04 0.67 -0.75 4.34 4.35 3h0rA1 ARG 338 HB2 0.07 0.23 0.17 -0.04 1.90 2.32 3h0rA1 ARG 338 HB3 0.09 -0.08 0.04 -0.04 1.80 1.81 3h0rA1 ARG 338 HG2 0.08 -0.04 0.04 -0.04 1.67 1.71 3h0rA1 ARG 338 HG3 0.08 -0.04 0.08 -0.04 1.67 1.75 3h0rA1 ARG 338 HD2 0.12 0.16 0.08 -0.04 3.22 3.54 3h0rA1 ARG 338 HD3 0.09 -0.04 0.05 -0.04 3.22 3.28 3h0rA1 THR 339 H 0.01 0.65 0.03 -0.55 8.28 8.42 3h0rA1 THR 339 HA 0.22 -0.10 0.40 -0.75 4.39 4.16 3h0rA1 THR 339 HB 0.01 0.17 0.08 -0.04 4.32 4.54 3h0rA1 THR 339 HG23 0.09 -0.07 -0.19 -0.04 1.22 1.01 3h0rA1 ARG 340 H -0.01 0.42 -0.31 -0.55 8.46 8.01 3h0rA1 ARG 340 HA -0.40 0.04 0.40 -0.75 4.34 3.62 3h0rA1 ARG 340 HB2 0.02 0.02 0.10 -0.04 1.90 2.00 3h0rA1 ARG 340 HB3 0.16 -0.05 0.01 -0.04 1.80 1.88 3h0rA1 ARG 340 HG2 -0.07 0.11 0.08 -0.04 1.67 1.75 3h0rA1 ARG 340 HG3 -0.04 -0.01 0.07 -0.04 1.67 1.65 3h0rA1 ARG 340 HD2 -0.04 0.03 0.06 -0.04 3.22 3.23 3h0rA1 ARG 340 HD3 -0.04 -0.09 -0.08 -0.04 3.22 2.97 3h0rA1 ASP 341 H 0.03 0.44 -0.05 -0.55 8.40 8.27 3h0rA1 ASP 341 HA 0.09 0.02 0.38 -0.75 4.63 4.37 3h0rA1 ASP 341 HB2 0.05 0.05 0.21 -0.04 2.71 2.98 3h0rA1 ASP 341 HB3 0.05 0.00 0.17 -0.04 2.70 2.88 3h0rA1 GLU 342 H 0.03 0.50 -0.27 -0.55 8.60 8.31 3h0rA1 GLU 342 HA -0.00 0.07 0.51 -0.75 4.29 4.12 3h0rA1 GLU 342 HB2 0.16 0.14 0.08 -0.04 2.09 2.43 3h0rA1 GLU 342 HB3 0.03 -0.06 -0.02 -0.04 1.99 1.90 3h0rA1 GLU 342 HG2 0.07 -0.03 0.02 -0.04 2.34 2.36 3h0rA1 GLU 342 HG3 0.07 -0.03 0.01 -0.04 2.34 2.35 3h0rA1 GLY 343 H -0.16 0.32 -0.27 -0.55 8.43 7.78 3h0rA1 GLY 343 HA2 -0.49 -0.00 0.40 -0.51 4.01 3.41 3h0rA1 GLY 343 HA3 -0.37 0.06 0.27 -0.51 4.01 3.46 3h0rA1 PHE 344 H -0.04 0.56 -0.07 -0.55 8.34 8.23 3h0rA1 PHE 344 HA 0.03 -0.07 0.76 -0.75 4.62 4.59 3h0rA1 PHE 344 HB2 -0.00 0.23 0.14 -0.04 3.15 3.48 3h0rA1 PHE 344 HB3 -0.00 -0.07 -0.03 -0.04 3.06 2.92 3h0rA1 PHE 344 HD2 0.09 -0.05 -0.01 -0.04 7.28 7.27 3h0rA1 PHE 344 HE2 -0.01 0.00 -0.01 -0.04 7.38 7.32 3h0rA1 PHE 344 HZ 0.10 0.14 0.08 -0.04 7.32 7.60 3h0rA1 GLY 345 H 0.16 0.02 0.21 -0.55 8.43 8.27 3h0rA1 GLY 345 HA2 0.06 0.24 0.62 -0.51 4.01 4.42 3h0rA1 GLY 345 HA3 0.05 0.01 0.43 -0.51 4.01 3.99 3h0rA1 PRO 346 HA 0.02 0.16 0.26 -0.51 4.44 4.37 3h0rA1 PRO 346 HB2 0.08 0.02 0.04 -0.04 2.28 2.38 3h0rA1 PRO 346 HB3 0.06 0.09 0.11 -0.04 2.02 2.23 3h0rA1 PRO 346 HG2 0.20 0.07 0.11 -0.04 2.03 2.37 3h0rA1 PRO 346 HG3 0.09 0.12 0.13 -0.04 2.03 2.33 3h0rA1 PRO 346 HD2 0.17 -0.01 0.24 -0.04 3.68 4.04 3h0rA1 PRO 346 HD3 0.10 0.20 0.29 -0.04 3.65 4.20 3h0rA1 GLU 347 H -0.22 0.16 0.01 -0.55 8.60 8.00 3h0rA1 GLU 347 HA -0.23 0.08 0.39 -0.75 4.29 3.77 3h0rA1 GLU 347 HB2 -1.47 -0.02 0.12 -0.04 2.09 0.68 3h0rA1 GLU 347 HB3 -0.45 0.07 0.06 -0.04 1.99 1.64 3h0rA1 GLU 347 HG2 -0.45 -0.02 -0.06 -0.04 2.34 1.77 3h0rA1 GLU 347 HG3 -0.17 0.01 -0.18 -0.04 2.34 1.96 3h0rA1 VAL 348 H -0.13 0.06 -0.24 -0.55 8.24 7.38 3h0rA1 VAL 348 HA -0.21 0.07 0.38 -0.75 4.13 3.62 3h0rA1 VAL 348 HB -0.08 0.08 0.06 -0.04 2.12 2.14 3h0rA1 VAL 348 HG13 -0.65 0.02 -0.12 -0.04 0.97 0.18 3h0rA1 VAL 348 HG23 0.04 -0.01 -0.01 -0.04 0.95 0.93 3h0rA1 LYS 349 H -0.07 0.51 -0.23 -0.55 8.42 8.07 3h0rA1 LYS 349 HA -0.12 0.03 0.34 -0.75 4.32 3.82 3h0rA1 LYS 349 HB2 0.00 0.08 0.11 -0.04 1.87 2.01 3h0rA1 LYS 349 HB3 0.00 -0.05 -0.02 -0.04 1.79 1.68 3h0rA1 LYS 349 HG2 0.10 -0.07 -0.02 -0.04 1.46 1.44 3h0rA1 LYS 349 HG3 0.12 0.01 -0.07 -0.04 1.46 1.48 3h0rA1 LYS 349 HD2 0.06 -0.11 0.01 -0.04 1.69 1.61 3h0rA1 LYS 349 HD3 0.12 0.09 0.07 -0.04 1.68 1.92 3h0rA1 LYS 349 HE2 0.07 0.07 -0.42 -0.04 2.99 2.67 3h0rA1 LYS 349 HE3 0.05 -0.16 -0.07 -0.04 2.99 2.76 3h0rA1 ARG 350 H -0.06 0.52 -0.17 -0.55 8.46 8.19 3h0rA1 ARG 350 HA -0.02 0.00 0.45 -0.75 4.34 4.02 3h0rA1 ARG 350 HB2 -0.04 0.14 0.21 -0.04 1.90 2.17 3h0rA1 ARG 350 HB3 0.03 -0.06 -0.02 -0.04 1.80 1.71 3h0rA1 ARG 350 HG2 -0.01 -0.04 0.07 -0.04 1.67 1.64 3h0rA1 ARG 350 HG3 -0.02 0.15 0.08 -0.04 1.67 1.83 3h0rA1 ARG 350 HD2 0.01 -0.04 0.00 -0.04 3.22 3.14 3h0rA1 ARG 350 HD3 -0.02 -0.00 0.01 -0.04 3.22 3.17 3h0rA1 ARG 351 H -0.07 0.51 -0.15 -0.55 8.46 8.20 3h0rA1 ARG 351 HA 0.02 0.03 0.53 -0.75 4.34 4.16 3h0rA1 ARG 351 HB2 -0.09 0.13 0.10 -0.04 1.90 2.00 3h0rA1 ARG 351 HB3 -0.00 -0.07 0.03 -0.04 1.80 1.71 3h0rA1 ARG 351 HG2 0.07 -0.03 -0.03 -0.04 1.67 1.64 3h0rA1 ARG 351 HG3 0.02 0.10 0.01 -0.04 1.67 1.76 3h0rA1 ARG 351 HD2 -0.08 0.04 -0.12 -0.04 3.22 3.01 3h0rA1 ARG 351 HD3 0.09 -0.04 -0.12 -0.04 3.22 3.11 3h0rA1 ILE 352 H -0.13 0.56 -0.12 -0.55 8.25 8.01 3h0rA1 ILE 352 HA -0.10 0.04 0.58 -0.75 4.18 3.95 3h0rA1 ILE 352 HB -0.16 0.08 0.14 -0.04 1.89 1.91 3h0rA1 ILE 352 HG12 -0.23 -0.03 -0.06 -0.04 1.49 1.13 3h0rA1 ILE 352 HG13 -0.34 0.10 -0.03 -0.04 1.21 0.90 3h0rA1 ILE 352 HG23 -0.07 -0.01 -0.10 -0.04 0.93 0.70 3h0rA1 ILE 352 HD13 -0.68 -0.01 -0.09 -0.04 0.88 0.07 3h0rA1 MET 353 H -0.04 0.61 -0.06 -0.55 8.47 8.43 3h0rA1 MET 353 HA -0.02 0.02 0.41 -0.75 4.52 4.18 3h0rA1 MET 353 HB2 -0.03 0.07 0.15 -0.04 2.15 2.31 3h0rA1 MET 353 HB3 -0.03 -0.06 0.02 -0.04 2.03 1.92 3h0rA1 MET 353 HG2 -0.02 0.25 0.12 -0.04 2.63 2.94 3h0rA1 MET 353 HG3 -0.02 -0.05 0.00 -0.04 2.56 2.45 3h0rA1 MET 353 HE3 -0.03 -0.01 -0.01 -0.04 2.10 2.01 3h0rA1 LEU 354 H -0.00 0.56 -0.09 -0.55 8.37 8.29 3h0rA1 LEU 354 HA 0.05 -0.02 0.40 -0.75 4.35 4.04 3h0rA1 LEU 354 HB2 0.05 0.03 0.16 -0.04 1.64 1.83 3h0rA1 LEU 354 HB3 0.05 0.05 0.17 -0.04 1.64 1.87 3h0rA1 LEU 354 HG 0.11 -0.02 -0.17 -0.04 1.64 1.52 3h0rA1 LEU 354 HD13 0.15 -0.02 0.07 -0.04 0.93 1.08 3h0rA1 LEU 354 HD23 0.12 0.04 0.05 -0.04 0.89 1.06 3h0rA1 GLY 355 H 0.01 0.63 -0.34 -0.55 8.43 8.18 3h0rA1 GLY 355 HA2 0.02 -0.08 0.09 -0.51 4.01 3.53 3h0rA1 GLY 355 HA3 -0.01 0.26 0.27 -0.51 4.01 4.02 3h0rA1 THR 356 H -0.00 0.59 -0.10 -0.55 8.28 8.22 3h0rA1 THR 356 HA -0.03 0.00 0.32 -0.75 4.39 3.94 3h0rA1 THR 356 HB -0.02 -0.07 0.09 -0.04 4.32 4.28 3h0rA1 THR 356 HG23 -0.03 0.21 0.12 -0.04 1.22 1.48 3h0rA1 PHE 357 H 0.11 0.43 -0.34 -0.55 8.34 7.99 3h0rA1 PHE 357 HA -0.13 0.04 0.70 -0.75 4.62 4.47 3h0rA1 PHE 357 HB2 -0.17 -0.01 0.09 -0.04 3.15 3.01 3h0rA1 PHE 357 HB3 -0.17 0.17 0.18 -0.04 3.06 3.20 3h0rA1 PHE 357 HD2 -0.40 0.02 -0.00 -0.04 7.28 6.87 3h0rA1 PHE 357 HE2 -1.20 -0.01 -0.05 -0.04 7.38 6.08 3h0rA1 PHE 357 HZ -0.58 -0.02 -0.04 -0.04 7.32 6.64 3h0rA1 ALA 358 H -0.01 0.68 0.06 -0.55 8.40 8.58 3h0rA1 ALA 358 HA -0.47 0.00 0.39 -0.75 4.34 3.51 3h0rA1 ALA 358 HB3 0.08 -0.00 0.13 -0.04 1.41 1.57 3h0rA1 LEU 359 H -0.05 0.33 -0.48 -0.55 8.37 7.62 3h0rA1 LEU 359 HA 0.18 0.02 0.74 -0.75 4.35 4.54 3h0rA1 LEU 359 HB2 -0.05 0.11 0.04 -0.04 1.64 1.69 3h0rA1 LEU 359 HB3 -0.06 -0.08 0.07 -0.04 1.64 1.52 3h0rA1 LEU 359 HG -0.06 0.12 -0.03 -0.04 1.64 1.63 3h0rA1 LEU 359 HD13 -0.16 -0.02 -0.08 -0.04 0.93 0.64 3h0rA1 LEU 359 HD23 -0.24 -0.02 -0.05 -0.04 0.89 0.54 3h0rA1 SER 360 H -0.08 0.34 -0.36 -0.55 8.46 7.81 3h0rA1 SER 360 HA -0.00 -0.01 0.46 -0.75 4.49 4.18 3h0rA1 SER 360 HB2 0.07 -0.05 0.12 -0.04 3.95 4.05 3h0rA1 SER 360 HB3 0.00 0.24 0.28 -0.04 3.93 4.42 3h0rA1 ALA 361 H 0.00 0.14 0.24 -0.55 8.40 8.23 3h0rA1 ALA 361 HA 0.01 -0.05 0.53 -0.75 4.34 4.08 3h0rA1 ALA 361 HB3 -0.02 0.02 0.15 -0.04 1.41 1.52 3h0rA1 GLY 362 H -0.01 0.06 0.20 -0.55 8.43 8.13 3h0rA1 GLY 362 HA2 -0.15 -0.00 0.40 -0.51 4.01 3.75 3h0rA1 GLY 362 HA3 -0.22 0.26 0.83 -0.51 4.01 4.36 3h0rA1 TYR 363 H 0.04 0.57 -0.29 -0.55 8.29 8.07 3h0rA1 TYR 363 HA -0.02 0.15 0.91 -0.75 4.56 4.84 3h0rA1 TYR 363 HB2 -0.60 0.30 -0.01 -0.04 3.06 2.71 3h0rA1 TYR 363 HB3 -0.75 -0.07 0.06 -0.04 2.98 2.17 3h0rA1 TYR 363 HD2 -0.06 0.03 -0.11 -0.04 7.15 6.97 3h0rA1 TYR 363 HE2 0.14 -0.01 -0.04 -0.04 6.85 6.89 3h0rA1 TYR 364 H 0.15 0.10 0.11 -0.55 8.29 8.11 3h0rA1 TYR 364 HA 0.04 0.43 0.47 -0.75 4.56 4.75 3h0rA1 TYR 364 HB2 -0.02 0.26 -0.13 -0.04 3.06 3.13 3h0rA1 TYR 364 HB3 -0.01 -0.16 0.10 -0.04 2.98 2.87 3h0rA1 TYR 364 HD2 -0.01 0.03 0.01 -0.04 7.15 7.14 3h0rA1 TYR 364 HE2 -0.01 0.03 -0.03 -0.04 6.85 6.80 3h0rA1 ASP 365 H 0.11 0.08 -0.16 -0.55 8.40 7.88 3h0rA1 ASP 365 HA -0.13 0.03 0.32 -0.75 4.63 4.10 3h0rA1 ASP 365 HB2 0.02 0.00 0.00 -0.04 2.71 2.69 3h0rA1 ASP 365 HB3 -0.01 0.07 -0.08 -0.04 2.70 2.64 3h0rA1 ALA 366 H 0.05 0.12 -0.33 -0.55 8.40 7.69 3h0rA1 ALA 366 HA -0.05 0.09 0.57 -0.75 4.34 4.19 3h0rA1 ALA 366 HB3 0.09 0.02 0.06 -0.04 1.41 1.54 3h0rA1 TYR 367 H 0.11 0.25 -0.36 -0.55 8.29 7.74 3h0rA1 TYR 367 HA -0.03 0.17 0.91 -0.75 4.56 4.85 3h0rA1 TYR 367 HB2 -0.07 0.26 0.25 -0.04 3.06 3.46 3h0rA1 TYR 367 HB3 -0.01 -0.04 0.14 -0.04 2.98 3.03 3h0rA1 TYR 367 HD2 0.05 0.01 -0.05 -0.04 7.15 7.12 3h0rA1 TYR 367 HE2 0.20 -0.02 -0.03 -0.04 6.85 6.96 3h0rA1 TYR 368 H 0.09 0.38 0.25 -0.55 8.29 8.46 3h0rA1 TYR 368 HA -0.08 0.02 0.22 -0.75 4.56 3.96 3h0rA1 TYR 368 HB2 -0.03 0.07 0.05 -0.04 3.06 3.11 3h0rA1 TYR 368 HB3 -0.36 -0.00 0.16 -0.04 2.98 2.74 3h0rA1 TYR 368 HD2 -0.05 0.02 -0.11 -0.04 7.15 6.98 3h0rA1 TYR 368 HE2 -0.01 0.01 0.01 -0.04 6.85 6.81 3h0rA1 LEU 369 H -0.58 0.47 0.04 -0.55 8.37 7.75 3h0rA1 LEU 369 HA -0.25 0.04 0.39 -0.75 4.35 3.77 3h0rA1 LEU 369 HB2 -0.64 -0.03 0.03 -0.04 1.64 0.97 3h0rA1 LEU 369 HB3 -0.31 0.04 0.14 -0.04 1.64 1.47 3h0rA1 LEU 369 HG -0.10 0.03 -0.17 -0.04 1.64 1.36 3h0rA1 LEU 369 HD13 -0.00 -0.01 0.02 -0.04 0.93 0.90 3h0rA1 LEU 369 HD23 0.04 -0.01 -0.02 -0.04 0.89 0.86 3h0rA1 LYS 370 H -0.18 0.30 -0.30 -0.55 8.42 7.68 3h0rA1 LYS 370 HA -0.13 -0.04 0.41 -0.75 4.32 3.80 3h0rA1 LYS 370 HB2 -0.12 0.13 0.08 -0.04 1.87 1.91 3h0rA1 LYS 370 HB3 -0.15 0.22 -0.21 -0.04 1.79 1.61 3h0rA1 LYS 370 HG2 -0.15 0.09 0.03 -0.04 1.46 1.40 3h0rA1 LYS 370 HG3 -0.14 -0.07 -0.19 -0.04 1.46 1.01 3h0rA1 LYS 370 HD2 -0.12 -0.09 0.08 -0.04 1.69 1.52 3h0rA1 LYS 370 HD3 -0.10 0.02 0.05 -0.04 1.68 1.60 3h0rA1 LYS 370 HE2 -0.12 0.04 0.00 -0.04 2.99 2.87 3h0rA1 LYS 370 HE3 -0.13 -0.06 -0.01 -0.04 2.99 2.75 3h0rA1 ALA 371 H -0.19 0.69 -0.20 -0.55 8.40 8.15 3h0rA1 ALA 371 HA -0.14 -0.05 0.38 -0.75 4.34 3.78 3h0rA1 ALA 371 HB3 -0.18 0.05 0.12 -0.04 1.41 1.36 3h0rA1 GLN 372 H -0.33 0.59 -0.11 -0.55 8.47 8.08 3h0rA1 GLN 372 HA -0.24 0.02 0.43 -0.75 4.36 3.82 3h0rA1 GLN 372 HB2 -0.28 0.11 0.18 -0.04 2.15 2.13 3h0rA1 GLN 372 HB3 -0.17 -0.04 0.06 -0.04 2.02 1.82 3h0rA1 GLN 372 HG2 -0.75 -0.01 0.03 -0.04 2.40 1.63 3h0rA1 GLN 372 HG3 -0.55 -0.05 -0.00 -0.04 2.39 1.74 3h0rA1 GLN 372 HE21 -0.07 0.02 0.01 -0.04 6.97 6.90 3h0rA1 GLN 372 HE22 -0.03 -0.02 0.00 -0.04 7.69 7.60 3h0rA1 LYS 373 H -0.16 0.49 -0.23 -0.55 8.42 7.97 3h0rA1 LYS 373 HA -0.10 0.05 0.69 -0.75 4.32 4.20 3h0rA1 LYS 373 HB2 -0.12 0.18 0.21 -0.04 1.87 2.10 3h0rA1 LYS 373 HB3 -0.10 -0.08 0.03 -0.04 1.79 1.60 3h0rA1 LYS 373 HG2 -0.07 -0.04 0.02 -0.04 1.46 1.32 3h0rA1 LYS 373 HG3 -0.10 0.13 0.01 -0.04 1.46 1.46 3h0rA1 LYS 373 HD2 -0.08 0.01 -0.02 -0.04 1.69 1.56 3h0rA1 LYS 373 HD3 -0.06 -0.03 -0.01 -0.04 1.68 1.53 3h0rA1 LYS 373 HE2 -0.04 -0.01 -0.03 -0.04 2.99 2.86 3h0rA1 LYS 373 HE3 -0.06 0.00 -0.09 -0.04 2.99 2.80 3h0rA1 VAL 374 H -0.14 0.67 0.12 -0.55 8.24 8.33 3h0rA1 VAL 374 HA -0.19 -0.02 0.48 -0.75 4.13 3.65 3h0rA1 VAL 374 HB -0.11 0.11 0.10 -0.04 2.12 2.19 3h0rA1 VAL 374 HG13 -0.09 -0.02 -0.07 -0.04 0.97 0.75 3h0rA1 VAL 374 HG23 -0.18 0.05 0.03 -0.04 0.95 0.81 3h0rA1 ARG 375 H -0.12 0.53 -0.41 -0.55 8.46 7.92 3h0rA1 ARG 375 HA -0.05 -0.04 0.41 -0.75 4.34 3.91 3h0rA1 ARG 375 HB2 -0.12 0.11 0.12 -0.04 1.90 1.96 3h0rA1 ARG 375 HB3 -0.11 0.26 0.12 -0.04 1.80 2.02 3h0rA1 ARG 375 HG2 -0.07 0.05 -0.09 -0.04 1.67 1.51 3h0rA1 ARG 375 HG3 -0.07 -0.12 0.05 -0.04 1.67 1.48 3h0rA1 ARG 375 HD2 -0.15 -0.11 -0.00 -0.04 3.22 2.92 3h0rA1 ARG 375 HD3 -0.13 -0.00 0.03 -0.04 3.22 3.08 3h0rA1 ARG 376 H -0.09 0.37 -0.20 -0.55 8.46 7.98 3h0rA1 ARG 376 HA -0.04 0.08 0.55 -0.75 4.34 4.19 3h0rA1 ARG 376 HB2 -0.06 0.06 0.16 -0.04 1.90 2.03 3h0rA1 ARG 376 HB3 -0.07 0.10 0.15 -0.04 1.80 1.94 3h0rA1 ARG 376 HG2 -0.04 -0.05 -0.18 -0.04 1.67 1.37 3h0rA1 ARG 376 HG3 -0.02 0.00 0.08 -0.04 1.67 1.69 3h0rA1 ARG 376 HD2 -0.04 -0.00 0.01 -0.04 3.22 3.14 3h0rA1 ARG 376 HD3 -0.02 -0.03 -0.01 -0.04 3.22 3.12 3h0rA1 LEU 377 H -0.14 0.46 -0.13 -0.55 8.37 8.01 3h0rA1 LEU 377 HA -0.16 0.02 0.48 -0.75 4.35 3.94 3h0rA1 LEU 377 HB2 -0.39 0.19 0.19 -0.04 1.64 1.58 3h0rA1 LEU 377 HB3 -1.05 -0.08 0.01 -0.04 1.64 0.47 3h0rA1 LEU 377 HG -0.21 0.14 0.03 -0.04 1.64 1.56 3h0rA1 LEU 377 HD13 -0.33 -0.02 -0.01 -0.04 0.93 0.53 3h0rA1 LEU 377 HD23 -0.19 -0.01 -0.00 -0.04 0.89 0.64 3h0rA1 ILE 378 H -0.07 0.62 -0.19 -0.55 8.25 8.06 3h0rA1 ILE 378 HA 0.12 -0.14 0.30 -0.75 4.18 3.71 3h0rA1 ILE 378 HB 0.03 0.19 0.14 -0.04 1.89 2.22 3h0rA1 ILE 378 HG12 0.17 -0.14 -0.25 -0.04 1.49 1.23 3h0rA1 ILE 378 HG13 0.07 0.03 -0.04 -0.04 1.21 1.22 3h0rA1 ILE 378 HG23 0.17 -0.02 -0.16 -0.04 0.93 0.88 3h0rA1 ILE 378 HD13 0.10 -0.02 -0.25 -0.04 0.88 0.67 3h0rA1 THR 379 H 0.03 0.56 -0.21 -0.55 8.28 8.12 3h0rA1 THR 379 HA 0.12 0.00 0.40 -0.75 4.39 4.16 3h0rA1 THR 379 HB 0.03 0.05 0.16 -0.04 4.32 4.53 3h0rA1 THR 379 HG23 0.09 -0.01 0.06 -0.04 1.22 1.33 3h0rA1 ASN 380 H 0.04 0.57 -0.23 -0.55 8.53 8.36 3h0rA1 ASN 380 HA 0.06 -0.01 0.42 -0.75 4.76 4.48 3h0rA1 ASN 380 HB2 0.00 0.14 0.22 -0.04 2.88 3.20 3h0rA1 ASN 380 HB3 0.02 -0.08 0.02 -0.04 2.79 2.71 3h0rA1 ASN 380 HD21 -0.01 -0.04 -0.03 -0.04 7.03 6.92 3h0rA1 ASN 380 HD22 -0.01 -0.05 -0.02 -0.04 7.74 7.61 3h0rA1 ASP 381 H 0.06 0.55 -0.08 -0.55 8.40 8.38 3h0rA1 ASP 381 HA -0.05 -0.01 0.49 -0.75 4.63 4.31 3h0rA1 ASP 381 HB2 -0.07 0.28 0.18 -0.04 2.71 3.06 3h0rA1 ASP 381 HB3 -0.25 -0.08 0.10 -0.04 2.70 2.42 3h0rA1 PHE 382 H 0.16 0.43 -0.25 -0.55 8.34 8.14 3h0rA1 PHE 382 HA -0.37 -0.04 0.31 -0.75 4.62 3.78 3h0rA1 PHE 382 HB2 -0.07 0.25 0.21 -0.04 3.15 3.51 3h0rA1 PHE 382 HB3 -0.18 -0.00 -0.05 -0.04 3.06 2.79 3h0rA1 PHE 382 HD2 -0.25 0.20 -0.03 -0.04 7.28 7.16 3h0rA1 PHE 382 HE2 -0.07 -0.03 -0.09 -0.04 7.38 7.15 3h0rA1 PHE 382 HZ -0.02 -0.03 -0.12 -0.04 7.32 7.11 3h0rA1 LEU 383 H 0.14 0.53 0.03 -0.55 8.37 8.52 3h0rA1 LEU 383 HA 0.26 0.01 0.36 -0.75 4.35 4.22 3h0rA1 LEU 383 HB2 0.09 0.07 0.15 -0.04 1.64 1.91 3h0rA1 LEU 383 HB3 0.12 -0.04 0.02 -0.04 1.64 1.70 3h0rA1 LEU 383 HG 0.18 0.18 0.03 -0.04 1.64 1.99 3h0rA1 LEU 383 HD13 0.11 -0.02 -0.02 -0.04 0.93 0.96 3h0rA1 LEU 383 HD23 0.26 -0.01 0.04 -0.04 0.89 1.14 3h0rA1 LYS 384 H -0.00 0.55 -0.30 -0.55 8.42 8.12 3h0rA1 LYS 384 HA 0.02 0.05 0.53 -0.75 4.32 4.16 3h0rA1 LYS 384 HB2 -0.01 0.12 0.14 -0.04 1.87 2.08 3h0rA1 LYS 384 HB3 -0.06 0.03 0.15 -0.04 1.79 1.87 3h0rA1 LYS 384 HG2 -0.01 -0.02 0.08 -0.04 1.46 1.47 3h0rA1 LYS 384 HG3 0.00 -0.02 0.04 -0.04 1.46 1.44 3h0rA1 LYS 384 HD2 -0.02 -0.02 0.00 -0.04 1.69 1.61 3h0rA1 LYS 384 HD3 -0.04 -0.01 -0.02 -0.04 1.68 1.57 3h0rA1 LYS 384 HE2 -0.01 0.01 0.00 -0.04 2.99 2.94 3h0rA1 LYS 384 HE3 -0.01 -0.01 0.00 -0.04 2.99 2.94 3h0rA1 ALA 385 H -0.17 0.64 0.14 -0.55 8.40 8.46 3h0rA1 ALA 385 HA -0.13 -0.05 0.56 -0.75 4.34 3.97 3h0rA1 ALA 385 HB3 -0.38 0.02 0.09 -0.04 1.41 1.10 3h0rA1 PHE 386 H -0.05 0.48 -0.41 -0.55 8.34 7.81 3h0rA1 PHE 386 HA 0.01 0.13 0.48 -0.75 4.62 4.48 3h0rA1 PHE 386 HB2 0.04 0.07 0.07 -0.04 3.15 3.28 3h0rA1 PHE 386 HB3 0.03 -0.04 0.12 -0.04 3.06 3.13 3h0rA1 PHE 386 HD2 0.02 0.06 -0.24 -0.04 7.28 7.08 3h0rA1 PHE 386 HE2 -0.01 -0.04 -0.29 -0.04 7.38 6.99 3h0rA1 PHE 386 HZ 0.05 0.03 -0.48 -0.04 7.32 6.88 3h0rA1 GLU 387 H 0.07 0.42 -0.50 -0.55 8.60 8.04 3h0rA1 GLU 387 HA 0.08 0.06 0.64 -0.75 4.29 4.33 3h0rA1 GLU 387 HB2 0.03 0.26 0.21 -0.04 2.09 2.55 3h0rA1 GLU 387 HB3 0.03 -0.10 0.04 -0.04 1.99 1.93 3h0rA1 GLU 387 HG2 0.06 -0.06 0.08 -0.04 2.34 2.37 3h0rA1 GLU 387 HG3 0.07 0.17 0.14 -0.04 2.34 2.68 3h0rA1 GLU 388 H 0.03 0.26 -0.17 -0.55 8.60 8.18 3h0rA1 GLU 388 HA 0.03 0.12 0.69 -0.75 4.29 4.37 3h0rA1 GLU 388 HB2 -0.01 0.07 0.06 -0.04 2.09 2.17 3h0rA1 GLU 388 HB3 0.00 -0.05 0.04 -0.04 1.99 1.93 3h0rA1 GLU 388 HG2 -0.00 -0.00 -0.05 -0.04 2.34 2.25 3h0rA1 GLU 388 HG3 -0.01 0.05 0.02 -0.04 2.34 2.36 3h0rA1 VAL 389 H 0.10 0.29 -0.05 -0.55 8.24 8.02 3h0rA1 VAL 389 HA 0.08 0.09 0.68 -0.75 4.13 4.23 3h0rA1 VAL 389 HB 0.03 0.13 -0.05 -0.04 2.12 2.19 3h0rA1 VAL 389 HG13 0.12 -0.06 -0.16 -0.04 0.97 0.83 3h0rA1 VAL 389 HG23 0.02 -0.03 -0.38 -0.04 0.95 0.52 3h0rA1 ASP 390 H 0.12 0.39 0.27 -0.55 8.40 8.63 3h0rA1 ASP 390 HA 0.09 0.24 0.97 -0.75 4.63 5.18 3h0rA1 ASP 390 HB2 0.11 0.00 0.20 -0.04 2.71 2.98 3h0rA1 ASP 390 HB3 0.06 -0.05 0.10 -0.04 2.70 2.76 3h0rA1 VAL 391 H 0.14 0.43 0.38 -0.55 8.24 8.64 3h0rA1 VAL 391 HA 0.24 0.25 0.70 -0.75 4.13 4.56 3h0rA1 VAL 391 HB 0.08 0.01 -0.01 -0.04 2.12 2.16 3h0rA1 VAL 391 HG13 0.04 -0.03 -0.23 -0.04 0.97 0.71 3h0rA1 VAL 391 HG23 0.04 -0.02 -0.12 -0.04 0.95 0.82 3h0rA1 ILE 392 H 0.22 0.68 0.35 -0.55 8.25 8.96 3h0rA1 ILE 392 HA 0.05 0.15 1.07 -0.75 4.18 4.69 3h0rA1 ILE 392 HB 0.18 -0.01 0.13 -0.04 1.89 2.15 3h0rA1 ILE 392 HG12 -0.12 -0.00 -0.12 -0.04 1.49 1.21 3h0rA1 ILE 392 HG13 0.01 0.02 -0.34 -0.04 1.21 0.86 3h0rA1 ILE 392 HG23 -0.02 0.00 -0.14 -0.04 0.93 0.72 3h0rA1 ILE 392 HD13 -0.42 -0.01 -0.14 -0.04 0.88 0.26 3h0rA1 ALA 393 H 0.09 0.59 0.32 -0.55 8.40 8.86 3h0rA1 ALA 393 HA 0.15 0.44 1.30 -0.75 4.34 5.47 3h0rA1 ALA 393 HB3 0.26 -0.03 -0.03 -0.04 1.41 1.57 3h0rA1 SER 394 H 0.08 0.62 0.37 -0.55 8.46 8.98 3h0rA1 SER 394 HA -0.77 0.06 0.44 -0.75 4.49 3.47 3h0rA1 SER 394 HB2 -0.30 -0.04 0.15 -0.04 3.95 3.72 3h0rA1 SER 394 HB3 0.13 -0.02 -0.23 -0.04 3.93 3.78 3h0rA1 PRO 395 HA -0.24 0.14 0.84 -0.51 4.44 4.66 3h0rA1 PRO 395 HB2 -0.23 0.04 -0.09 -0.04 2.28 1.95 3h0rA1 PRO 395 HB3 -0.16 0.07 0.13 -0.04 2.02 2.02 3h0rA1 PRO 395 HG2 -0.26 0.03 -0.03 -0.04 2.03 1.73 3h0rA1 PRO 395 HG3 -0.44 0.03 0.01 -0.04 2.03 1.59 3h0rA1 PRO 395 HD2 -0.51 0.10 0.13 -0.04 3.68 3.37 3h0rA1 PRO 395 HD3 -1.36 0.10 0.11 -0.04 3.65 2.46 3h0rA1 THR 396 H -0.15 0.62 0.20 -0.55 8.28 8.40 3h0rA1 THR 396 HA -0.14 0.11 0.46 -0.75 4.39 4.07 3h0rA1 THR 396 HB -0.12 -0.00 0.00 -0.04 4.32 4.16 3h0rA1 THR 396 HG23 -0.13 0.02 -0.24 -0.04 1.22 0.83 3h0rA1 THR 397 H -0.10 0.22 -0.06 -0.55 8.28 7.79 3h0rA1 THR 397 HA -0.07 0.21 0.83 -0.75 4.39 4.61 3h0rA1 THR 397 HB 0.08 0.04 0.02 -0.04 4.32 4.41 3h0rA1 THR 397 HG23 0.25 -0.17 0.03 -0.04 1.22 1.30 3h0rA1 PRO 398 HA -0.03 0.10 0.52 -0.51 4.44 4.52 3h0rA1 PRO 398 HB2 -0.01 0.11 0.13 -0.04 2.28 2.48 3h0rA1 PRO 398 HB3 -0.02 0.03 0.07 -0.04 2.02 2.06 3h0rA1 PRO 398 HG2 0.03 0.00 0.04 -0.04 2.03 2.06 3h0rA1 PRO 398 HG3 -0.02 0.08 0.10 -0.04 2.03 2.15 3h0rA1 PRO 398 HD2 0.06 0.11 0.25 -0.04 3.68 4.05 3h0rA1 PRO 398 HD3 -0.03 0.11 0.20 -0.04 3.65 3.88 3h0rA1 THR 399 H 0.11 0.20 -0.20 -0.55 8.28 7.84 3h0rA1 THR 399 HA 0.03 0.02 0.88 -0.75 4.39 4.56 3h0rA1 THR 399 HB 0.05 -0.03 0.11 -0.04 4.32 4.41 3h0rA1 THR 399 HG23 0.04 0.00 -0.22 -0.04 1.22 1.00 3h0rA1 LEU 400 H -0.01 0.01 0.10 -0.55 8.37 7.92 3h0rA1 LEU 400 HA -0.12 0.21 0.64 -0.75 4.35 4.33 3h0rA1 LEU 400 HB2 -0.07 -0.08 0.03 -0.04 1.64 1.47 3h0rA1 LEU 400 HB3 -0.14 0.18 0.04 -0.04 1.64 1.67 3h0rA1 LEU 400 HG -0.04 -0.22 0.01 -0.04 1.64 1.35 3h0rA1 LEU 400 HD13 -0.03 -0.00 -0.02 -0.04 0.93 0.84 3h0rA1 LEU 400 HD23 -0.09 0.02 -0.07 -0.04 0.89 0.71 3h0rA1 PRO 401 HA -2.23 -0.09 0.42 -0.51 4.44 2.03 3h0rA1 PRO 401 HB2 -0.40 -0.03 0.08 -0.04 2.28 1.89 3h0rA1 PRO 401 HB3 -0.73 0.21 0.11 -0.04 2.02 1.57 3h0rA1 PRO 401 HG2 -0.29 0.12 0.15 -0.04 2.03 1.96 3h0rA1 PRO 401 HG3 -0.66 -0.02 0.17 -0.04 2.03 1.48 3h0rA1 PRO 401 HD2 -0.29 0.09 0.18 -0.04 3.68 3.62 3h0rA1 PRO 401 HD3 -0.36 0.16 0.16 -0.04 3.65 3.57 3h0rA1 PHE 402 H -1.19 0.01 0.18 -0.55 8.34 6.79 3h0rA1 PHE 402 HA -0.14 0.20 0.74 -0.75 4.62 4.67 3h0rA1 PHE 402 HB2 -0.06 -0.09 0.15 -0.04 3.15 3.10 3h0rA1 PHE 402 HB3 -0.07 0.08 0.07 -0.04 3.06 3.10 3h0rA1 PHE 402 HD2 -0.00 0.14 -0.17 -0.04 7.28 7.21 3h0rA1 PHE 402 HE2 0.12 -0.05 -0.05 -0.04 7.38 7.36 3h0rA1 PHE 402 HZ 0.11 0.04 -0.07 -0.04 7.32 7.36 3h0rA1 LYS 403 H 0.16 0.08 0.17 -0.55 8.42 8.27 3h0rA1 LYS 403 HA -0.00 0.30 0.77 -0.75 4.32 4.63 3h0rA1 LYS 403 HB2 0.08 -0.09 0.12 -0.04 1.87 1.93 3h0rA1 LYS 403 HB3 0.11 0.11 0.14 -0.04 1.79 2.11 3h0rA1 LYS 403 HG2 0.06 0.13 -0.06 -0.04 1.46 1.55 3h0rA1 LYS 403 HG3 0.04 -0.07 -0.01 -0.04 1.46 1.39 3h0rA1 LYS 403 HD2 0.04 -0.05 0.02 -0.04 1.69 1.66 3h0rA1 LYS 403 HD3 0.06 0.02 0.03 -0.04 1.68 1.75 3h0rA1 LYS 403 HE2 0.05 0.03 -0.03 -0.04 2.99 3.00 3h0rA1 LYS 403 HE3 0.03 0.00 -0.02 -0.04 2.99 2.97 3h0rA1 PHE 404 H 0.25 0.43 0.22 -0.55 8.34 8.68 3h0rA1 PHE 404 HA 0.09 -0.06 0.50 -0.75 4.62 4.40 3h0rA1 PHE 404 HB2 0.03 0.07 0.11 -0.04 3.15 3.32 3h0rA1 PHE 404 HB3 0.02 -0.02 0.04 -0.04 3.06 3.06 3h0rA1 PHE 404 HD2 0.02 0.03 -0.06 -0.04 7.28 7.23 3h0rA1 PHE 404 HE2 0.02 0.06 -0.24 -0.04 7.38 7.19 3h0rA1 PHE 404 HZ 0.03 0.17 -0.01 -0.04 7.32 7.48 3h0rA1 GLY 405 H 0.14 0.10 0.14 -0.55 8.43 8.26 3h0rA1 GLY 405 HA2 0.04 -0.02 0.33 -0.51 4.01 3.85 3h0rA1 GLY 405 HA3 0.06 0.19 0.41 -0.51 4.01 4.17 3h0rA1 GLU 406 H 0.06 0.46 -0.52 -0.55 8.60 8.05 3h0rA1 GLU 406 HA -0.02 0.10 0.30 -0.75 4.29 3.93 3h0rA1 GLU 406 HB2 0.06 0.26 0.06 -0.04 2.09 2.42 3h0rA1 GLU 406 HB3 -0.09 -0.03 -0.02 -0.04 1.99 1.81 3h0rA1 GLU 406 HG2 -0.06 -0.02 0.06 -0.04 2.34 2.28 3h0rA1 GLU 406 HG3 -0.00 0.03 0.05 -0.04 2.34 2.37 3h0rA1 ARG 407 H -0.07 0.05 -0.31 -0.55 8.46 7.58 3h0rA1 ARG 407 HA -0.15 0.21 0.77 -0.75 4.34 4.41 3h0rA1 ARG 407 HB2 -0.26 -0.05 -0.06 -0.04 1.90 1.49 3h0rA1 ARG 407 HB3 -0.24 -0.03 -0.20 -0.04 1.80 1.29 3h0rA1 ARG 407 HG2 -0.39 0.13 -0.39 -0.04 1.67 0.98 3h0rA1 ARG 407 HG3 -0.90 -0.03 -0.23 -0.04 1.67 0.47 3h0rA1 ARG 407 HD2 -1.38 -0.04 -0.07 -0.04 3.22 1.68 3h0rA1 ARG 407 HD3 -0.41 0.23 -0.18 -0.04 3.22 2.82 3h0rA1 LEU 408 H -0.05 0.29 -0.33 -0.55 8.37 7.73 3h0rA1 LEU 408 HA 0.00 0.18 0.73 -0.75 4.35 4.51 3h0rA1 LEU 408 HB2 -0.02 0.10 -0.03 -0.04 1.64 1.65 3h0rA1 LEU 408 HB3 -0.04 0.06 0.03 -0.04 1.64 1.65 3h0rA1 LEU 408 HG -0.05 -0.21 -0.16 -0.04 1.64 1.18 3h0rA1 LEU 408 HD13 -0.04 0.03 0.01 -0.04 0.93 0.89 3h0rA1 LEU 408 HD23 -0.36 0.02 -0.11 -0.04 0.89 0.40 3h0rA1 GLU 409 H -0.04 0.06 -0.11 -0.55 8.60 7.97 3h0rA1 GLU 409 HA -0.02 0.10 0.39 -0.75 4.29 4.02 3h0rA1 GLU 409 HB2 -0.03 0.08 0.10 -0.04 2.09 2.20 3h0rA1 GLU 409 HB3 -0.04 -0.10 0.12 -0.04 1.99 1.93 3h0rA1 GLU 409 HG2 -0.03 -0.01 -0.11 -0.04 2.34 2.16 3h0rA1 GLU 409 HG3 -0.02 0.02 0.03 -0.04 2.34 2.33 3h0rA1 ASN 410 H -0.07 0.10 -0.05 -0.55 8.53 7.97 3h0rA1 ASN 410 HA -0.07 0.31 0.86 -0.75 4.76 5.11 3h0rA1 ASN 410 HB2 -0.06 0.09 0.05 -0.04 2.88 2.92 3h0rA1 ASN 410 HB3 -0.09 -0.06 0.11 -0.04 2.79 2.71 3h0rA1 ASN 410 HD21 -0.08 0.05 -0.01 -0.04 7.03 6.95 3h0rA1 ASN 410 HD22 -0.07 0.06 -0.00 -0.04 7.74 7.68 3h0rA1 PRO 411 HA -0.18 0.12 0.33 -0.51 4.44 4.21 3h0rA1 PRO 411 HB2 -0.31 0.02 -0.00 -0.04 2.28 1.94 3h0rA1 PRO 411 HB3 -0.20 0.03 0.05 -0.04 2.02 1.86 3h0rA1 PRO 411 HG2 -0.07 0.06 0.06 -0.04 2.03 2.04 3h0rA1 PRO 411 HG3 -0.04 0.10 0.03 -0.04 2.03 2.08 3h0rA1 PRO 411 HD2 -0.10 0.05 0.18 -0.04 3.68 3.77 3h0rA1 PRO 411 HD3 -0.06 0.39 0.16 -0.04 3.65 4.10 3h0rA1 ILE 412 H -0.29 0.14 -0.32 -0.55 8.25 7.24 3h0rA1 ILE 412 HA -0.66 0.06 0.36 -0.75 4.18 3.19 3h0rA1 ILE 412 HB -0.15 -0.02 0.02 -0.04 1.89 1.69 3h0rA1 ILE 412 HG12 -0.05 0.05 0.00 -0.04 1.49 1.45 3h0rA1 ILE 412 HG13 -0.19 -0.04 -0.00 -0.04 1.21 0.94 3h0rA1 ILE 412 HG23 -0.09 0.02 -0.18 -0.04 0.93 0.64 3h0rA1 ILE 412 HD13 -0.06 0.02 -0.00 -0.04 0.88 0.80 3h0rA1 GLU 413 H -0.19 0.30 -0.27 -0.55 8.60 7.89 3h0rA1 GLU 413 HA -0.13 0.04 0.36 -0.75 4.29 3.81 3h0rA1 GLU 413 HB2 -0.14 0.18 0.11 -0.04 2.09 2.20 3h0rA1 GLU 413 HB3 -0.16 0.02 0.02 -0.04 1.99 1.83 3h0rA1 GLU 413 HG2 -0.10 0.04 0.05 -0.04 2.34 2.29 3h0rA1 GLU 413 HG3 -0.10 -0.07 0.03 -0.04 2.34 2.15 3h0rA1 MET 414 H -0.23 0.36 -0.41 -0.55 8.47 7.65 3h0rA1 MET 414 HA -0.08 0.04 0.47 -0.75 4.52 4.21 3h0rA1 MET 414 HB2 0.01 0.24 0.13 -0.04 2.15 2.49 3h0rA1 MET 414 HB3 -0.09 0.23 0.15 -0.04 2.03 2.27 3h0rA1 MET 414 HG2 0.29 -0.06 -0.01 -0.04 2.63 2.81 3h0rA1 MET 414 HG3 0.25 -0.00 -0.21 -0.04 2.56 2.56 3h0rA1 MET 414 HE3 0.13 0.06 -0.12 -0.04 2.10 2.14 3h0rA1 TYR 415 H -0.25 0.32 -0.11 -0.55 8.29 7.70 3h0rA1 TYR 415 HA 0.04 -0.00 0.35 -0.75 4.56 4.19 3h0rA1 TYR 415 HB2 -0.27 0.15 0.15 -0.04 3.06 3.06 3h0rA1 TYR 415 HB3 -0.62 -0.02 -0.00 -0.04 2.98 2.29 3h0rA1 TYR 415 HD2 -0.24 -0.05 -0.11 -0.04 7.15 6.71 3h0rA1 TYR 415 HE2 -0.08 -0.02 -0.10 -0.04 6.85 6.62 3h0rA1 LEU 416 H -0.01 0.44 -0.24 -0.55 8.37 8.02 3h0rA1 LEU 416 HA 0.00 -0.00 0.34 -0.75 4.35 3.93 3h0rA1 LEU 416 HB2 -0.06 0.18 0.06 -0.04 1.64 1.77 3h0rA1 LEU 416 HB3 -0.06 -0.01 0.10 -0.04 1.64 1.63 3h0rA1 LEU 416 HG -0.04 0.07 0.01 -0.04 1.64 1.63 3h0rA1 LEU 416 HD13 -0.07 -0.02 -0.06 -0.04 0.93 0.74 3h0rA1 LEU 416 HD23 -0.06 -0.01 0.00 -0.04 0.89 0.78 3h0rA1 SER 417 H 0.05 0.39 -0.60 -0.55 8.46 7.75 3h0rA1 SER 417 HA 0.06 0.06 0.56 -0.75 4.49 4.41 3h0rA1 SER 417 HB2 0.09 -0.04 -0.06 -0.04 3.95 3.90 3h0rA1 SER 417 HB3 0.19 -0.03 0.13 -0.04 3.93 4.18 3h0rA1 ASP 418 H 0.05 0.52 -0.22 -0.55 8.40 8.20 3h0rA1 ASP 418 HA -0.06 0.14 0.53 -0.75 4.63 4.48 3h0rA1 ASP 418 HB2 0.04 0.13 0.10 -0.04 2.71 2.94 3h0rA1 ASP 418 HB3 -0.18 -0.00 0.19 -0.04 2.70 2.67 3h0rA1 ILE 419 H -0.04 0.35 -0.30 -0.55 8.25 7.72 3h0rA1 ILE 419 HA -0.04 -0.02 0.18 -0.75 4.18 3.54 3h0rA1 ILE 419 HB -0.24 -0.01 0.04 -0.04 1.89 1.63 3h0rA1 ILE 419 HG12 -0.07 0.07 0.02 -0.04 1.49 1.47 3h0rA1 ILE 419 HG13 -0.06 0.03 -0.20 -0.04 1.21 0.94 3h0rA1 ILE 419 HG23 -0.12 0.01 0.08 -0.04 0.93 0.86 3h0rA1 ILE 419 HD13 -0.17 0.00 0.00 -0.04 0.88 0.67 3h0rA1 LEU 420 H -0.09 0.16 -0.38 -0.55 8.37 7.51 3h0rA1 LEU 420 HA -0.20 0.14 0.71 -0.75 4.35 4.24 3h0rA1 LEU 420 HB2 -0.16 0.11 -0.18 -0.04 1.64 1.36 3h0rA1 LEU 420 HB3 -0.27 0.12 -0.01 -0.04 1.64 1.44 3h0rA1 LEU 420 HG -0.14 -0.12 -0.26 -0.04 1.64 1.08 3h0rA1 LEU 420 HD13 -0.18 0.02 -0.35 -0.04 0.93 0.38 3h0rA1 LEU 420 HD23 -1.05 0.01 -0.05 -0.04 0.89 -0.24 3h0rA1 THR 421 H -0.10 0.45 -0.10 -0.55 8.28 7.99 3h0rA1 THR 421 HA -0.09 0.20 0.80 -0.75 4.39 4.55 3h0rA1 THR 421 HB -0.12 -0.18 -0.03 -0.04 4.32 3.94 3h0rA1 THR 421 HG23 -0.11 0.04 -0.01 -0.04 1.22 1.10 3h0rA1 VAL 422 H -0.14 0.46 0.11 -0.55 8.24 8.12 3h0rA1 VAL 422 HA -0.28 -0.06 0.30 -0.75 4.13 3.34 3h0rA1 VAL 422 HB -0.34 -0.04 -0.00 -0.04 2.12 1.69 3h0rA1 VAL 422 HG13 -0.68 0.02 0.08 -0.04 0.97 0.36 3h0rA1 VAL 422 HG23 -0.06 0.02 -0.18 -0.04 0.95 0.69 3h0rA1 PRO 423 HA 0.04 0.02 0.37 -0.51 4.44 4.35 3h0rA1 PRO 423 HB2 0.25 0.09 -0.09 -0.04 2.28 2.49 3h0rA1 PRO 423 HB3 0.35 -0.02 0.02 -0.04 2.02 2.33 3h0rA1 PRO 423 HG2 0.30 0.12 -0.06 -0.04 2.03 2.36 3h0rA1 PRO 423 HG3 0.21 0.01 0.02 -0.04 2.03 2.23 3h0rA1 PRO 423 HD2 0.02 0.20 -0.71 -0.04 3.68 3.15 3h0rA1 PRO 423 HD3 0.01 0.10 -0.15 -0.04 3.65 3.57 3h0rA1 ALA 424 H -0.08 0.29 -0.39 -0.55 8.40 7.68 3h0rA1 ALA 424 HA -0.34 0.02 0.29 -0.75 4.34 3.55 3h0rA1 ALA 424 HB3 -0.11 0.07 -0.06 -0.04 1.41 1.26 3h0rA1 ASN 425 H -0.10 0.21 -0.20 -0.55 8.53 7.89 3h0rA1 ASN 425 HA -0.07 0.14 0.51 -0.75 4.76 4.58 3h0rA1 ASN 425 HB2 -0.02 0.01 0.14 -0.04 2.88 2.96 3h0rA1 ASN 425 HB3 -0.02 0.10 0.08 -0.04 2.79 2.91 3h0rA1 ASN 425 HD21 -0.03 -0.31 -0.40 -0.04 7.03 6.25 3h0rA1 ASN 425 HD22 -0.01 0.33 -0.11 -0.04 7.74 7.91 3h0rA1 LEU 426 H -0.06 0.46 -0.08 -0.55 8.37 8.14 3h0rA1 LEU 426 HA -0.07 0.02 0.46 -0.75 4.35 4.01 3h0rA1 LEU 426 HB2 -0.02 0.10 0.16 -0.04 1.64 1.84 3h0rA1 LEU 426 HB3 -0.02 -0.04 0.02 -0.04 1.64 1.56 3h0rA1 LEU 426 HG 0.05 0.05 0.02 -0.04 1.64 1.73 3h0rA1 LEU 426 HD13 0.06 -0.00 -0.02 -0.04 0.93 0.92 3h0rA1 LEU 426 HD23 -0.02 -0.02 -0.05 -0.04 0.89 0.76 3h0rA1 ALA 427 H -0.18 0.42 -0.18 -0.55 8.40 7.92 3h0rA1 ALA 427 HA -0.05 0.07 0.50 -0.75 4.34 4.10 3h0rA1 ALA 427 HB3 -0.32 -0.02 0.06 -0.04 1.41 1.09 3h0rA1 GLY 428 H -0.11 0.20 -0.48 -0.55 8.43 7.49 3h0rA1 GLY 428 HA2 -0.04 0.08 0.36 -0.51 4.01 3.90 3h0rA1 GLY 428 HA3 0.01 0.03 0.51 -0.51 4.01 4.05 3h0rA1 LEU 429 H -0.17 0.45 -0.01 -0.55 8.37 8.10 3h0rA1 LEU 429 HA -0.27 0.02 0.40 -0.75 4.35 3.75 3h0rA1 LEU 429 HB2 -0.27 -0.10 0.02 -0.04 1.64 1.24 3h0rA1 LEU 429 HB3 -0.21 0.30 0.03 -0.04 1.64 1.72 3h0rA1 LEU 429 HG -0.35 0.01 -0.21 -0.04 1.64 1.05 3h0rA1 LEU 429 HD13 -0.47 -0.02 -0.08 -0.04 0.93 0.32 3h0rA1 LEU 429 HD23 -0.68 0.04 -0.01 -0.04 0.89 0.20 3h0rA1 PRO 430 HA -0.11 0.37 0.41 -0.51 4.44 4.61 3h0rA1 PRO 430 HB2 -0.12 0.02 -0.08 -0.04 2.28 2.06 3h0rA1 PRO 430 HB3 -0.11 -0.21 0.05 -0.04 2.02 1.71 3h0rA1 PRO 430 HG2 -0.14 -0.00 -0.16 -0.04 2.03 1.69 3h0rA1 PRO 430 HG3 -0.12 -0.18 -0.05 -0.04 2.03 1.63 3h0rA1 PRO 430 HD2 -0.25 0.33 -0.17 -0.04 3.68 3.55 3h0rA1 PRO 430 HD3 -0.26 -0.03 0.12 -0.04 3.65 3.43 3h0rA1 ALA 431 H -0.10 0.67 0.34 -0.55 8.40 8.77 3h0rA1 ALA 431 HA -0.05 0.25 0.74 -0.75 4.34 4.52 3h0rA1 ALA 431 HB3 -0.07 -0.01 -0.05 -0.04 1.41 1.24 3h0rA1 ILE 432 H -0.04 0.58 0.34 -0.55 8.25 8.58 3h0rA1 ILE 432 HA -0.09 0.21 1.12 -0.75 4.18 4.67 3h0rA1 ILE 432 HB -0.07 -0.07 -0.17 -0.04 1.89 1.53 3h0rA1 ILE 432 HG12 -0.02 0.08 -0.24 -0.04 1.49 1.27 3h0rA1 ILE 432 HG13 -0.07 0.03 -0.19 -0.04 1.21 0.94 3h0rA1 ILE 432 HG23 -0.01 0.06 -0.03 -0.04 0.93 0.91 3h0rA1 ILE 432 HD13 -0.02 -0.00 -0.19 -0.04 0.88 0.62 3h0rA1 SER 433 H -0.08 0.67 0.35 -0.55 8.46 8.85 3h0rA1 SER 433 HA -0.09 0.29 0.95 -0.75 4.49 4.88 3h0rA1 SER 433 HB2 -0.09 -0.13 0.01 -0.04 3.95 3.69 3h0rA1 SER 433 HB3 -0.07 -0.01 0.15 -0.04 3.93 3.96 3h0rA1 ILE 434 H -0.15 0.52 0.26 -0.55 8.25 8.34 3h0rA1 ILE 434 HA -0.02 0.13 0.68 -0.75 4.18 4.22 3h0rA1 ILE 434 HB -0.13 0.11 -0.00 -0.04 1.89 1.82 3h0rA1 ILE 434 HG12 0.04 -0.08 -0.31 -0.04 1.49 1.09 3h0rA1 ILE 434 HG13 0.15 -0.02 -0.08 -0.04 1.21 1.23 3h0rA1 ILE 434 HG23 -0.15 -0.00 -0.19 -0.04 0.93 0.55 3h0rA1 ILE 434 HD13 0.16 0.03 0.02 -0.04 0.88 1.05 3h0rA1 PRO 435 HA -0.12 0.13 0.63 -0.51 4.44 4.57 3h0rA1 PRO 435 HB2 0.20 -0.01 0.02 -0.04 2.28 2.45 3h0rA1 PRO 435 HB3 -0.03 0.07 -0.01 -0.04 2.02 2.01 3h0rA1 PRO 435 HG2 -0.75 0.06 -0.10 -0.04 2.03 1.19 3h0rA1 PRO 435 HG3 -0.12 0.08 -0.45 -0.04 2.03 1.49 3h0rA1 PRO 435 HD2 -0.39 0.07 0.12 -0.04 3.68 3.45 3h0rA1 PRO 435 HD3 -0.14 0.13 -0.01 -0.04 3.65 3.59 3h0rA1 ILE 436 H -0.16 0.69 0.48 -0.55 8.25 8.71 3h0rA1 ILE 436 HA 0.38 0.26 1.01 -0.75 4.18 5.07 3h0rA1 ILE 436 HB -0.41 -0.00 0.03 -0.04 1.89 1.47 3h0rA1 ILE 436 HG12 -0.32 -0.01 -0.25 -0.04 1.49 0.87 3h0rA1 ILE 436 HG13 -0.20 -0.01 -0.23 -0.04 1.21 0.72 3h0rA1 ILE 436 HG23 -1.54 0.02 -0.19 -0.04 0.93 -0.81 3h0rA1 ILE 436 HD13 -0.27 0.00 -0.28 -0.04 0.88 0.29 3h0rA1 ALA 437 H -0.21 0.29 0.31 -0.55 8.40 8.24 3h0rA1 ALA 437 HA -0.03 0.12 0.36 -0.75 4.34 4.04 3h0rA1 ALA 437 HB3 -0.03 0.03 -0.04 -0.04 1.41 1.32 3h0rA1 TRP 438 H 0.33 0.24 0.09 -0.55 7.97 8.08 3h0rA1 TRP 438 HA -0.09 0.31 0.46 -0.75 4.62 4.54 3h0rA1 TRP 438 HB2 -0.01 -0.04 0.06 -0.04 3.23 3.20 3h0rA1 TRP 438 HB3 -0.12 -0.04 -0.21 -0.04 3.23 2.82 3h0rA1 TRP 438 HD1 0.30 -0.10 -0.36 -0.04 7.22 7.01 3h0rA1 TRP 438 HE1 0.09 0.02 -0.11 -0.04 10.20 10.16 3h0rA1 TRP 438 HE3 -0.43 -0.07 -0.61 -0.04 7.59 6.44 3h0rA1 TRP 438 HZ2 -0.26 0.18 0.04 -0.04 7.44 7.36 3h0rA1 TRP 438 HZ3 -1.93 0.10 -0.03 -0.04 7.13 5.23 3h0rA1 TRP 438 HH2 -2.53 0.11 -0.08 -0.04 7.19 4.65 3h0rA1 LYS 439 H -0.02 0.89 0.07 -0.55 8.42 8.81 3h0rA1 LYS 439 HA 0.07 0.14 0.95 -0.75 4.32 4.72 3h0rA1 LYS 439 HB2 -0.03 0.08 0.01 -0.04 1.87 1.88 3h0rA1 LYS 439 HB3 0.01 -0.06 -0.03 -0.04 1.79 1.67 3h0rA1 LYS 439 HG2 -0.00 -0.06 -0.45 -0.04 1.46 0.90 3h0rA1 LYS 439 HG3 -0.01 0.07 -0.17 -0.04 1.46 1.30 3h0rA1 LYS 439 HD2 0.02 -0.07 -0.00 -0.04 1.69 1.60 3h0rA1 LYS 439 HD3 0.05 0.06 0.03 -0.04 1.68 1.77 3h0rA1 LYS 439 HE2 0.04 0.02 -0.08 -0.04 2.99 2.93 3h0rA1 LYS 439 HE3 0.02 0.01 -0.07 -0.04 2.99 2.91 3h0rA1 ASP 440 H 0.07 0.20 0.12 -0.55 8.40 8.23 3h0rA1 ASP 440 HA 0.06 0.04 0.31 -0.75 4.63 4.28 3h0rA1 ASP 440 HB2 0.02 0.18 -0.05 -0.04 2.71 2.82 3h0rA1 ASP 440 HB3 0.03 0.03 0.21 -0.04 2.70 2.94 3h0rA1 GLY 441 H 0.13 0.02 -0.39 -0.55 8.43 7.65 3h0rA1 GLY 441 HA2 0.17 0.01 0.18 -0.51 4.01 3.86 3h0rA1 GLY 441 HA3 0.15 0.15 0.44 -0.51 4.01 4.25 3h0rA1 LEU 442 H 0.10 0.17 -0.49 -0.55 8.37 7.60 3h0rA1 LEU 442 HA 0.04 0.27 0.76 -0.75 4.35 4.67 3h0rA1 LEU 442 HB2 -0.06 0.03 0.05 -0.04 1.64 1.62 3h0rA1 LEU 442 HB3 -0.13 0.08 0.02 -0.04 1.64 1.57 3h0rA1 LEU 442 HG 0.06 0.03 -0.30 -0.04 1.64 1.39 3h0rA1 LEU 442 HD13 -0.04 -0.02 -0.04 -0.04 0.93 0.79 3h0rA1 LEU 442 HD23 0.07 0.02 -0.14 -0.04 0.89 0.80 3h0rA1 PRO 443 HA -1.75 0.08 0.51 -0.51 4.44 2.77 3h0rA1 PRO 443 HB2 -0.37 0.17 0.01 -0.04 2.28 2.05 3h0rA1 PRO 443 HB3 -0.79 -0.05 0.05 -0.04 2.02 1.19 3h0rA1 PRO 443 HG2 -0.22 0.25 -0.14 -0.04 2.03 1.88 3h0rA1 PRO 443 HG3 -1.40 0.06 -0.08 -0.04 2.03 0.57 3h0rA1 PRO 443 HD2 -0.21 0.12 0.23 -0.04 3.68 3.77 3h0rA1 PRO 443 HD3 -0.25 0.18 0.25 -0.04 3.65 3.80 3h0rA1 VAL 444 H -0.59 0.47 0.36 -0.55 8.24 7.93 3h0rA1 VAL 444 HA -0.17 0.14 0.68 -0.75 4.13 4.02 3h0rA1 VAL 444 HB -0.20 -0.10 0.06 -0.04 2.12 1.83 3h0rA1 VAL 444 HG13 -0.10 -0.00 -0.15 -0.04 0.97 0.68 3h0rA1 VAL 444 HG23 -0.14 0.02 -0.25 -0.04 0.95 0.55 3h0rA1 GLY 445 H -0.11 0.14 0.12 -0.55 8.43 8.03 3h0rA1 GLY 445 HA2 -0.19 0.32 0.92 -0.51 4.01 4.55 3h0rA1 GLY 445 HA3 -0.13 -0.03 0.27 -0.51 4.01 3.60 3h0rA1 GLY 446 H -0.36 0.90 0.38 -0.55 8.43 8.80 3h0rA1 GLY 446 HA2 -0.18 0.09 0.95 -0.51 4.01 4.35 3h0rA1 GLY 446 HA3 -0.68 0.06 0.32 -0.51 4.01 3.19 3h0rA1 GLN 447 H -0.06 0.82 0.29 -0.55 8.47 8.97 3h0rA1 GLN 447 HA -0.07 0.37 1.10 -0.75 4.36 5.00 3h0rA1 GLN 447 HB2 -0.09 -0.13 -0.14 -0.04 2.15 1.74 3h0rA1 GLN 447 HB3 -0.07 0.09 -0.13 -0.04 2.02 1.87 3h0rA1 GLN 447 HG2 0.00 -0.04 -0.42 -0.04 2.40 1.90 3h0rA1 GLN 447 HG3 -0.05 0.01 -0.10 -0.04 2.39 2.22 3h0rA1 GLN 447 HE21 -0.08 0.53 0.02 -0.04 6.97 7.39 3h0rA1 GLN 447 HE22 -0.08 -0.01 -0.15 -0.04 7.69 7.42 3h0rA1 LEU 448 H -0.01 0.47 0.33 -0.55 8.37 8.62 3h0rA1 LEU 448 HA 0.08 0.39 1.06 -0.75 4.35 5.13 3h0rA1 LEU 448 HB2 0.02 -0.09 0.08 -0.04 1.64 1.61 3h0rA1 LEU 448 HB3 0.04 -0.01 -0.05 -0.04 1.64 1.58 3h0rA1 LEU 448 HG 0.07 -0.03 -0.38 -0.04 1.64 1.26 3h0rA1 LEU 448 HD13 0.05 -0.00 -0.12 -0.04 0.93 0.81 3h0rA1 LEU 448 HD23 0.07 0.02 -0.18 -0.04 0.89 0.76 3h0rA1 ILE 449 H 0.11 0.78 0.37 -0.55 8.25 8.96 3h0rA1 ILE 449 HA 0.02 0.19 1.01 -0.75 4.18 4.65 3h0rA1 ILE 449 HB 0.24 -0.09 0.12 -0.04 1.89 2.12 3h0rA1 ILE 449 HG12 0.03 -0.01 -0.13 -0.04 1.49 1.34 3h0rA1 ILE 449 HG13 0.11 0.06 -0.14 -0.04 1.21 1.20 3h0rA1 ILE 449 HG23 -0.01 0.04 -0.06 -0.04 0.93 0.86 3h0rA1 ILE 449 HD13 0.18 -0.00 -0.10 -0.04 0.88 0.91 3h0rA1 GLY 450 H -0.03 0.53 0.17 -0.55 8.43 8.55 3h0rA1 GLY 450 HA2 -0.10 0.19 0.89 -0.51 4.01 4.48 3h0rA1 GLY 450 HA3 -0.12 -0.02 0.29 -0.51 4.01 3.66 3h0rA1 LYS 451 H -0.50 0.17 0.19 -0.55 8.42 7.72 3h0rA1 LYS 451 HA -0.79 0.09 0.51 -0.75 4.32 3.38 3h0rA1 LYS 451 HB2 -0.25 -0.07 0.06 -0.04 1.87 1.57 3h0rA1 LYS 451 HB3 -0.26 0.03 0.11 -0.04 1.79 1.63 3h0rA1 LYS 451 HG2 -1.15 0.02 0.07 -0.04 1.46 0.36 3h0rA1 LYS 451 HG3 -0.88 0.09 0.16 -0.04 1.46 0.79 3h0rA1 LYS 451 HD2 -0.14 -0.10 0.08 -0.04 1.69 1.49 3h0rA1 LYS 451 HD3 -0.12 -0.01 0.06 -0.04 1.68 1.58 3h0rA1 LYS 451 HE2 0.00 0.24 0.15 -0.04 2.99 3.34 3h0rA1 LYS 451 HE3 -0.15 0.07 0.23 -0.04 2.99 3.11 3h0rA1 HIS 452 H -0.34 0.15 0.15 -0.55 8.41 7.82 3h0rA1 HIS 452 HA -0.49 0.04 0.50 -0.75 4.63 3.92 3h0rA1 HIS 452 HB2 -0.12 -0.02 0.16 -0.04 3.26 3.24 3h0rA1 HIS 452 HB3 -0.94 0.04 0.05 -0.04 3.20 2.31 3h0rA1 HIS 452 HD2 -0.39 0.15 -0.00 -0.04 6.97 6.68 3h0rA1 HIS 452 HE1 0.00 -0.03 0.05 -0.04 7.75 7.73 3h0rA1 TRP 453 H -0.43 0.11 0.24 -0.55 7.97 7.34 3h0rA1 TRP 453 HA 0.13 -0.03 0.37 -0.75 4.62 4.33 3h0rA1 TRP 453 HB2 0.08 0.18 0.10 -0.04 3.23 3.55 3h0rA1 TRP 453 HB3 0.10 -0.01 0.15 -0.04 3.23 3.43 3h0rA1 TRP 453 HD1 0.08 0.10 -0.20 -0.04 7.22 7.15 3h0rA1 TRP 453 HE1 0.01 0.02 -0.05 -0.04 10.20 10.13 3h0rA1 TRP 453 HE3 0.13 -0.05 0.02 -0.04 7.59 7.65 3h0rA1 TRP 453 HZ2 0.02 0.02 -0.02 -0.04 7.44 7.41 3h0rA1 TRP 453 HZ3 0.08 0.00 -0.25 -0.04 7.13 6.92 3h0rA1 TRP 453 HH2 0.05 0.06 -0.08 -0.04 7.19 7.17 3h0rA1 ASP 454 H 0.01 0.63 -0.38 -0.55 8.40 8.11 3h0rA1 ASP 454 HA 0.15 0.15 0.82 -0.75 4.63 5.01 3h0rA1 ASP 454 HB2 0.01 0.13 -0.07 -0.04 2.71 2.74 3h0rA1 ASP 454 HB3 -0.08 0.01 0.16 -0.04 2.70 2.75 3h0rA1 GLU 455 H 0.15 0.28 -0.38 -0.55 8.60 8.10 3h0rA1 GLU 455 HA -0.15 0.09 0.42 -0.75 4.29 3.89 3h0rA1 GLU 455 HB2 -0.34 0.06 0.01 -0.04 2.09 1.77 3h0rA1 GLU 455 HB3 -0.78 0.02 -0.08 -0.04 1.99 1.12 3h0rA1 GLU 455 HG2 -0.32 0.07 -0.02 -0.04 2.34 2.03 3h0rA1 GLU 455 HG3 -0.16 0.00 -0.00 -0.04 2.34 2.14 3h0rA1 THR 456 H 0.17 0.17 -0.21 -0.55 8.28 7.87 3h0rA1 THR 456 HA 0.04 0.05 0.27 -0.75 4.39 3.99 3h0rA1 THR 456 HB 0.16 -0.04 0.03 -0.04 4.32 4.43 3h0rA1 THR 456 HG23 0.14 0.02 -0.25 -0.04 1.22 1.09 3h0rA1 THR 457 H 0.05 0.18 -0.24 -0.55 8.28 7.72 3h0rA1 THR 457 HA 0.08 0.07 0.30 -0.75 4.39 4.09 3h0rA1 THR 457 HB 0.02 0.09 0.08 -0.04 4.32 4.47 3h0rA1 THR 457 HG23 0.09 0.01 -0.10 -0.04 1.22 1.18 3h0rA1 LEU 458 H -0.02 0.30 -0.21 -0.55 8.37 7.89 3h0rA1 LEU 458 HA 0.02 0.03 0.32 -0.75 4.35 3.96 3h0rA1 LEU 458 HB2 -0.09 0.10 0.08 -0.04 1.64 1.69 3h0rA1 LEU 458 HB3 -0.06 -0.03 -0.14 -0.04 1.64 1.36 3h0rA1 LEU 458 HG -0.02 0.00 -0.15 -0.04 1.64 1.44 3h0rA1 LEU 458 HD13 -0.06 -0.01 -0.09 -0.04 0.93 0.74 3h0rA1 LEU 458 HD23 -0.07 -0.00 -0.24 -0.04 0.89 0.53 3h0rA1 LEU 459 H -0.06 0.52 -0.34 -0.55 8.37 7.95 3h0rA1 LEU 459 HA 0.02 0.00 0.46 -0.75 4.35 4.08 3h0rA1 LEU 459 HB2 -0.07 0.14 0.10 -0.04 1.64 1.76 3h0rA1 LEU 459 HB3 -0.01 -0.09 -0.02 -0.04 1.64 1.48 3h0rA1 LEU 459 HG -0.33 0.18 -0.11 -0.04 1.64 1.34 3h0rA1 LEU 459 HD13 -0.39 -0.03 -0.11 -0.04 0.93 0.36 3h0rA1 LEU 459 HD23 -0.12 -0.01 -0.14 -0.04 0.89 0.57 3h0rA1 GLN 460 H 0.08 0.58 -0.02 -0.55 8.47 8.55 3h0rA1 GLN 460 HA 0.16 0.21 0.47 -0.75 4.36 4.45 3h0rA1 GLN 460 HB2 0.12 -0.00 0.19 -0.04 2.15 2.42 3h0rA1 GLN 460 HB3 0.16 0.00 0.04 -0.04 2.02 2.18 3h0rA1 GLN 460 HG2 0.09 0.28 0.04 -0.04 2.40 2.77 3h0rA1 GLN 460 HG3 0.09 -0.08 -0.06 -0.04 2.39 2.29 3h0rA1 GLN 460 HE21 0.08 -0.13 -0.15 -0.04 6.97 6.73 3h0rA1 GLN 460 HE22 0.08 0.50 -0.05 -0.04 7.69 8.19 3h0rA1 ILE 461 H 0.15 0.60 -0.07 -0.55 8.25 8.38 3h0rA1 ILE 461 HA 0.27 0.04 0.36 -0.75 4.18 4.09 3h0rA1 ILE 461 HB 0.08 0.07 -0.00 -0.04 1.89 1.99 3h0rA1 ILE 461 HG12 0.29 -0.02 -0.04 -0.04 1.49 1.68 3h0rA1 ILE 461 HG13 0.18 0.09 0.06 -0.04 1.21 1.51 3h0rA1 ILE 461 HG23 -0.12 -0.01 -0.11 -0.04 0.93 0.65 3h0rA1 ILE 461 HD13 0.05 -0.03 -0.17 -0.04 0.88 0.69 3h0rA1 SER 462 H 0.17 0.33 -0.45 -0.55 8.46 7.96 3h0rA1 SER 462 HA 0.32 0.05 0.41 -0.75 4.49 4.52 3h0rA1 SER 462 HB2 0.13 0.08 0.07 -0.04 3.95 4.19 3h0rA1 SER 462 HB3 0.16 0.07 0.14 -0.04 3.93 4.26 3h0rA1 TYR 463 H 0.32 0.62 -0.13 -0.55 8.29 8.54 3h0rA1 TYR 463 HA 0.15 -0.14 0.48 -0.75 4.56 4.30 3h0rA1 TYR 463 HB2 0.11 -0.09 0.07 -0.04 3.06 3.10 3h0rA1 TYR 463 HB3 0.12 0.35 0.19 -0.04 2.98 3.61 3h0rA1 TYR 463 HD2 0.08 -0.01 -0.06 -0.04 7.15 7.12 3h0rA1 TYR 463 HE2 0.04 -0.02 -0.02 -0.04 6.85 6.81 3h0rA1 LEU 464 H 0.30 0.63 -0.00 -0.55 8.37 8.75 3h0rA1 LEU 464 HA 0.05 0.03 0.60 -0.75 4.35 4.28 3h0rA1 LEU 464 HB2 0.23 0.02 0.10 -0.04 1.64 1.95 3h0rA1 LEU 464 HB3 0.30 0.07 0.16 -0.04 1.64 2.13 3h0rA1 LEU 464 HG 0.32 0.01 -0.16 -0.04 1.64 1.78 3h0rA1 LEU 464 HD13 0.15 -0.02 0.02 -0.04 0.93 1.04 3h0rA1 LEU 464 HD23 0.34 -0.01 -0.02 -0.04 0.89 1.17 3h0rA1 TRP 465 H 0.42 0.55 -0.20 -0.55 7.97 8.20 3h0rA1 TRP 465 HA 0.16 0.01 0.36 -0.75 4.62 4.39 3h0rA1 TRP 465 HB2 0.23 -0.01 0.08 -0.04 3.23 3.50 3h0rA1 TRP 465 HB3 0.23 0.08 0.16 -0.04 3.23 3.66 3h0rA1 TRP 465 HD1 0.30 -0.05 -0.08 -0.04 7.22 7.36 3h0rA1 TRP 465 HE1 0.12 0.76 0.23 -0.04 10.20 11.27 3h0rA1 TRP 465 HE3 0.15 -0.01 0.01 -0.04 7.59 7.70 3h0rA1 TRP 465 HZ2 -0.43 0.16 0.16 -0.04 7.44 7.30 3h0rA1 TRP 465 HZ3 0.08 -0.03 -0.02 -0.04 7.13 7.13 3h0rA1 TRP 465 HH2 -0.00 -0.01 -0.00 -0.04 7.19 7.14 3h0rA1 GLU 466 H 0.18 0.36 -0.21 -0.55 8.60 8.39 3h0rA1 GLU 466 HA -0.24 0.38 0.59 -0.75 4.29 4.26 3h0rA1 GLU 466 HB2 -0.09 -0.09 0.18 -0.04 2.09 2.06 3h0rA1 GLU 466 HB3 0.23 0.08 0.18 -0.04 1.99 2.44 3h0rA1 GLU 466 HG2 -0.11 0.28 0.16 -0.04 2.34 2.63 3h0rA1 GLU 466 HG3 -0.07 -0.01 -0.19 -0.04 2.34 2.03 3h0rA1 GLN 467 H -0.12 0.35 -0.30 -0.55 8.47 7.85 3h0rA1 GLN 467 HA -0.09 -0.00 0.49 -0.75 4.36 4.00 3h0rA1 GLN 467 HB2 -0.10 0.19 0.17 -0.04 2.15 2.37 3h0rA1 GLN 467 HB3 -0.07 -0.05 -0.00 -0.04 2.02 1.86 3h0rA1 GLN 467 HG2 -0.50 0.13 0.07 -0.04 2.40 2.06 3h0rA1 GLN 467 HG3 -0.19 -0.03 0.03 -0.04 2.39 2.16 3h0rA1 GLN 467 HE21 -0.02 -0.05 0.01 -0.04 6.97 6.87 3h0rA1 GLN 467 HE22 -0.04 0.01 0.01 -0.04 7.69 7.63 3h0rA1 LYS 468 H -0.10 0.33 -0.19 -0.55 8.42 7.90 3h0rA1 LYS 468 HA -0.08 0.02 0.53 -0.75 4.32 4.04 3h0rA1 LYS 468 HB2 -0.22 0.12 0.12 -0.04 1.87 1.84 3h0rA1 LYS 468 HB3 -0.07 -0.07 0.05 -0.04 1.79 1.66 3h0rA1 LYS 468 HG2 0.03 -0.06 -0.00 -0.04 1.46 1.39 3h0rA1 LYS 468 HG3 0.07 0.16 0.05 -0.04 1.46 1.69 3h0rA1 LYS 468 HD2 0.16 -0.02 -0.03 -0.04 1.69 1.75 3h0rA1 LYS 468 HD3 0.30 -0.00 -0.06 -0.04 1.68 1.87 3h0rA1 LYS 468 HE2 0.18 -0.01 -0.03 -0.04 2.99 3.08 3h0rA1 LYS 468 HE3 0.07 -0.04 0.00 -0.04 2.99 2.98 3h0rA1 PHE 469 H -0.41 0.40 -0.26 -0.55 8.34 7.53 3h0rA1 PHE 469 HA -0.35 0.08 0.88 -0.75 4.62 4.47 3h0rA1 PHE 469 HB2 -1.01 -0.03 -0.15 -0.04 3.15 1.92 3h0rA1 PHE 469 HB3 -1.58 0.12 0.16 -0.04 3.06 1.72 3h0rA1 PHE 469 HD2 -0.02 0.04 -0.06 -0.04 7.28 7.20 3h0rA1 PHE 469 HE2 0.24 -0.04 -0.21 -0.04 7.38 7.32 3h0rA1 PHE 469 HZ 0.50 -0.08 -0.28 -0.04 7.32 7.42 3h0rA1 LYS 470 H -0.59 0.16 0.03 -0.55 8.42 7.47 3h0rA1 LYS 470 HA -0.71 0.17 0.41 -0.75 4.32 3.44 3h0rA1 LYS 470 HB2 -0.55 -0.02 0.21 -0.04 1.87 1.46 3h0rA1 LYS 470 HB3 -1.18 -0.09 0.14 -0.04 1.79 0.62 3h0rA1 LYS 470 HG2 -0.07 -0.05 0.02 -0.04 1.46 1.31 3h0rA1 LYS 470 HG3 -0.25 0.18 -0.10 -0.04 1.46 1.25 3h0rA1 LYS 470 HD2 -0.21 0.01 0.03 -0.04 1.69 1.48 3h0rA1 LYS 470 HD3 -0.20 -0.07 0.04 -0.04 1.68 1.40 3h0rA1 LYS 470 HE2 -0.03 -0.08 0.02 -0.04 2.99 2.87 3h0rA1 LYS 470 HE3 -0.07 0.20 0.03 -0.04 2.99 3.11 3h0rA1 HIS 471 H -0.85 0.51 0.33 -0.55 8.41 7.87 3h0rA1 HIS 471 HA -0.25 0.03 0.37 -0.75 4.63 4.03 3h0rA1 HIS 471 HB2 0.33 0.11 0.08 -0.04 3.26 3.74 3h0rA1 HIS 471 HB3 0.41 -0.00 0.01 -0.04 3.20 3.57 3h0rA1 HIS 471 HD2 0.51 0.19 0.10 -0.04 6.97 7.72 3h0rA1 HIS 471 HE1 0.28 -0.01 0.09 -0.04 7.75 8.07 3h0rA1 TYR 472 H -0.47 0.03 -0.27 -0.55 8.29 7.02 3h0rA1 TYR 472 HA 0.26 0.22 0.49 -0.75 4.56 4.78 3h0rA1 TYR 472 HB2 0.11 -0.03 0.05 -0.04 3.06 3.15 3h0rA1 TYR 472 HB3 0.16 0.19 0.07 -0.04 2.98 3.36 3h0rA1 TYR 472 HD2 -0.16 0.06 -0.06 -0.04 7.15 6.95 3h0rA1 TYR 472 HE2 -0.15 0.08 -0.03 -0.04 6.85 6.71 3h0rA1 GLU 473 H -0.40 0.28 -0.46 -0.55 8.60 7.48 3h0rA1 GLU 473 HA 0.00 0.14 0.63 -0.75 4.29 4.31 3h0rA1 GLU 473 HB2 -0.32 0.13 0.06 -0.04 2.09 1.93 3h0rA1 GLU 473 HB3 -0.14 -0.05 0.08 -0.04 1.99 1.83 3h0rA1 GLU 473 HG2 -0.08 0.00 -0.08 -0.04 2.34 2.15 3h0rA1 GLU 473 HG3 -0.83 -0.05 -0.02 -0.04 2.34 1.40 3h0rA1 LYS 474 H -0.02 0.22 -0.21 -0.55 8.42 7.86 3h0rA1 LYS 474 HA -0.00 0.00 0.70 -0.75 4.32 4.27 3h0rA1 LYS 474 HB2 0.05 0.19 0.19 -0.04 1.87 2.26 3h0rA1 LYS 474 HB3 -0.48 -0.03 -0.02 -0.04 1.79 1.23 3h0rA1 LYS 474 HG2 -0.29 -0.06 -0.06 -0.04 1.46 1.01 3h0rA1 LYS 474 HG3 -0.30 -0.02 0.01 -0.04 1.46 1.11 3h0rA1 LYS 474 HD2 -1.48 0.02 -0.06 -0.04 1.69 0.13 3h0rA1 LYS 474 HD3 -0.47 -0.00 -0.04 -0.04 1.68 1.12 3h0rA1 LYS 474 HE2 -0.79 -0.02 -0.10 -0.04 2.99 2.04 3h0rA1 LYS 474 HE3 -0.48 -0.05 -0.06 -0.04 2.99 2.35 3h0rA1 ILE 475 H 0.16 0.18 0.16 -0.55 8.25 8.21 3h0rA1 ILE 475 HA 0.19 0.32 0.88 -0.75 4.18 4.82 3h0rA1 ILE 475 HB 0.12 -0.05 -0.03 -0.04 1.89 1.89 3h0rA1 ILE 475 HG12 0.24 0.12 -0.20 -0.04 1.49 1.61 3h0rA1 ILE 475 HG13 0.18 -0.15 -1.11 -0.04 1.21 0.09 3h0rA1 ILE 475 HG23 0.23 -0.01 -0.08 -0.04 0.93 1.03 3h0rA1 ILE 475 HD13 0.10 -0.02 -0.07 -0.04 0.88 0.85 3h0rA1 PRO 476 HA -1.61 0.05 -0.27 -0.51 4.44 2.10 3h0rA1 PRO 476 HB2 -1.11 0.26 -0.16 -0.04 2.28 1.23 3h0rA1 PRO 476 HB3 -2.72 0.04 -0.14 -0.04 2.02 -0.85 3h0rA1 PRO 476 HG2 -0.36 -0.04 0.02 -0.04 2.03 1.61 3h0rA1 PRO 476 HG3 -0.37 0.02 -0.28 -0.04 2.03 1.35 3h0rA1 PRO 476 HD2 -0.08 0.12 0.09 -0.04 3.68 3.77 3h0rA1 PRO 476 HD3 -0.08 0.38 0.22 -0.04 3.65 4.13 3h0rA1 LEU 477 H -0.18 0.13 -0.10 -0.55 8.37 7.67 3h0rA1 LEU 477 HA -0.14 0.14 0.75 -0.75 4.35 4.34 3h0rA1 LEU 477 HB2 -0.25 0.12 -0.24 -0.04 1.64 1.23 3h0rA1 LEU 477 HB3 -0.17 -0.00 0.14 -0.04 1.64 1.57 3h0rA1 LEU 477 HG -0.11 -0.02 -0.07 -0.04 1.64 1.40 3h0rA1 LEU 477 HD13 -0.09 0.01 -0.02 -0.04 0.93 0.79 3h0rA1 LEU 477 HD23 -0.11 -0.01 -0.01 -0.04 0.89 0.72 3h0rA1 THR 478 H -0.05 0.11 0.06 -0.55 8.28 7.85 3h0rA1 THR 478 HA -0.02 0.15 -0.02 -0.75 4.39 3.74 3h0rA1 THR 478 HB 0.04 0.04 0.04 -0.04 4.32 4.39 3h0rA1 THR 478 HG23 0.01 0.00 0.02 -0.04 1.22 1.21