============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. PHE 13 1.000 1.091 -1.469 21.671 -99.200 -91.000 HIS 18 0.900 -5.996 6.899 17.728 -99.200 -91.000 TYR 20 0.840 -2.279 1.569 18.401 -99.200 -91.000 TYR 27 0.840 13.355 -8.437 32.301 -99.200 -91.000 PHE 37 1.000 7.921 2.774 26.674 -99.200 -91.000 HIS 48 0.900 -1.749 11.386 8.235 -99.200 -91.000 TYR 59 0.840 8.977 -15.015 32.525 -99.200 -91.000 HIS 64 0.900 6.671 -21.985 30.465 -99.200 -91.000 TRP 68 1.040 2.121 -8.359 26.927 -99.200 -91.000 TRP6 68 1.020 4.035 -6.973 27.011 -99.200 -91.000 HIS 82 0.900 6.618 20.848 18.616 -99.200 -91.000 TYR 91 0.840 16.112 0.460 35.852 -99.200 -91.000 PHE 99 1.000 17.216 9.042 32.192 -99.200 -91.000 PHE 101 1.000 16.933 9.566 26.701 -99.200 -91.000 PHE 102 1.000 9.073 12.610 23.799 -99.200 -91.000 HIS 132 0.900 10.907 0.589 39.117 -99.200 -91.000 TRP 136 1.040 6.034 7.655 32.004 -99.200 -91.000 TRP6 136 1.020 8.164 6.809 31.423 -99.200 -91.000 TYR 151 0.840 17.604 22.146 15.629 -99.200 -91.000 TRP 154 1.040 23.140 17.272 12.808 -99.200 -91.000 TRP6 154 1.020 22.510 16.518 14.963 -99.200 -91.000 PHE 157 1.000 17.046 15.645 16.115 -99.200 -91.000 HIS 163 0.900 17.544 -2.345 23.080 -99.200 -91.000 TYR 179 0.840 17.881 8.386 11.574 -99.200 -91.000 TYR 181 0.840 18.171 11.991 6.429 -99.200 -91.000 HIS 185 0.900 28.565 19.365 -2.880 -99.200 -91.000 PHE 195 1.000 23.984 11.636 16.492 -99.200 -91.000 PHE 197 1.000 21.686 13.168 20.487 -99.200 -91.000 HIS 200 0.900 30.444 10.568 29.325 -99.200 -91.000 HIS 202 0.900 24.505 8.024 36.867 -99.200 -91.000 TRP 206 1.040 21.453 13.982 27.799 -99.200 -91.000 TRP6 206 1.020 21.671 11.659 27.414 -99.200 -91.000 HIS 210 0.900 33.658 13.021 17.737 -99.200 -91.000 PHE 211 1.000 27.122 12.935 12.748 -99.200 -91.000 HIS 236 0.900 22.091 4.065 0.322 -99.200 -91.000 PHE 252 1.000 30.150 3.955 17.242 -99.200 -91.000 PHE 276 1.000 22.762 -14.105 24.043 -99.200 -91.000 TRP 285 1.040 28.289 -16.140 22.661 -99.200 -91.000 TRP6 285 1.020 27.330 -18.286 22.413 -99.200 -91.000 TYR 288 0.840 20.292 -7.861 12.660 -99.200 -91.000 HIS 290 0.900 16.682 -6.130 8.801 -99.200 -91.000 HIS 293 0.900 11.119 -11.262 0.273 -99.200 -91.000 TRP 295 1.040 13.725 -10.032 -4.310 -99.200 -91.000 TRP6 295 1.020 15.106 -8.729 -5.720 -99.200 -91.000 TYR 303 0.840 20.026 -12.488 10.499 -99.200 -91.000 TRP 314 1.040 26.676 -10.474 12.804 -99.200 -91.000 TRP6 314 1.020 25.108 -10.460 14.576 -99.200 -91.000 TYR 327 0.840 11.138 0.703 11.636 -99.200 -91.000 PHE 343 1.000 17.987 -14.081 23.809 -99.200 -91.000 TYR 347 0.840 6.916 -10.032 14.888 -99.200 -91.000 TYR 352 0.840 4.515 -1.152 7.862 -99.200 -91.000 PHE 357 1.000 6.593 -10.549 24.589 -99.200 -91.000 PHE 360 1.000 13.479 -15.432 20.398 -99.200 -91.000 PHE 366 1.000 20.391 -18.703 16.618 -99.200 -91.000 TYR 370 0.840 22.033 -24.216 24.790 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2f27A1 MET 1 HA -0.02 -0.05 0.17 -0.75 4.52 3.86 2f27A1 MET 1 HB2 -0.01 -0.02 0.04 -0.04 2.15 2.12 2f27A1 MET 1 HB3 -0.01 -0.05 0.02 -0.04 2.03 1.95 2f27A1 MET 1 HG2 -0.01 -0.03 -0.05 -0.04 2.63 2.50 2f27A1 MET 1 HG3 -0.01 -0.01 -0.25 -0.04 2.56 2.25 2f27A1 MET 1 HE3 -0.00 -0.00 -0.00 -0.04 2.10 2.05 2f27A1 ALA 2 H -0.02 0.12 0.08 -0.55 8.40 8.03 2f27A1 ALA 2 HA -0.02 -0.05 0.51 -0.75 4.34 4.03 2f27A1 ALA 2 HB3 -0.02 -0.01 0.08 -0.04 1.41 1.42 2f27A1 SER 3 H -0.03 -0.04 0.07 -0.55 8.46 7.91 2f27A1 SER 3 HA -0.08 0.11 0.31 -0.75 4.49 4.08 2f27A1 SER 3 HB2 -0.09 0.15 -0.35 -0.04 3.95 3.62 2f27A1 SER 3 HB3 -0.06 -0.19 -0.17 -0.04 3.93 3.47 2f27A1 LEU 4 H -0.14 0.56 0.22 -0.55 8.37 8.46 2f27A1 LEU 4 HA -0.10 0.10 0.40 -0.75 4.35 3.99 2f27A1 LEU 4 HB2 -0.22 0.07 0.04 -0.04 1.64 1.48 2f27A1 LEU 4 HB3 -0.23 -0.10 0.06 -0.04 1.64 1.32 2f27A1 LEU 4 HG -0.14 0.17 -0.40 -0.04 1.64 1.23 2f27A1 LEU 4 HD13 -0.16 0.05 -0.04 -0.04 0.93 0.74 2f27A1 LEU 4 HD23 -0.41 -0.06 -0.22 -0.04 0.89 0.16 2f27A1 PRO 5 HA -0.02 0.02 0.57 -0.51 4.44 4.50 2f27A1 PRO 5 HB2 -0.01 0.01 0.02 -0.04 2.28 2.26 2f27A1 PRO 5 HB3 -0.01 -0.01 0.10 -0.04 2.02 2.06 2f27A1 PRO 5 HG2 -0.03 0.00 0.15 -0.04 2.03 2.11 2f27A1 PRO 5 HG3 -0.03 -0.00 0.09 -0.04 2.03 2.05 2f27A1 PRO 5 HD2 -0.07 0.08 0.22 -0.04 3.68 3.87 2f27A1 PRO 5 HD3 -0.04 0.23 0.15 -0.04 3.65 3.94 2f27A1 VAL 6 H 0.01 0.13 0.16 -0.55 8.24 7.99 2f27A1 VAL 6 HA 0.06 0.13 0.92 -0.75 4.13 4.48 2f27A1 VAL 6 HB 0.15 0.15 0.16 -0.04 2.12 2.53 2f27A1 VAL 6 HG13 -0.07 0.08 -0.25 -0.04 0.97 0.68 2f27A1 VAL 6 HG23 0.05 -0.02 -0.16 -0.04 0.95 0.78 2f27A1 LEU 7 H 0.13 0.26 0.38 -0.55 8.37 8.59 2f27A1 LEU 7 HA 0.12 0.06 0.52 -0.75 4.35 4.29 2f27A1 LEU 7 HB2 0.14 0.02 0.03 -0.04 1.64 1.79 2f27A1 LEU 7 HB3 0.21 0.17 0.10 -0.04 1.64 2.08 2f27A1 LEU 7 HG 0.08 -0.14 0.09 -0.04 1.64 1.63 2f27A1 LEU 7 HD13 0.06 -0.01 -0.06 -0.04 0.93 0.88 2f27A1 LEU 7 HD23 -0.01 0.01 0.01 -0.04 0.89 0.87 2f27A1 GLN 8 H 0.10 0.34 0.11 -0.55 8.47 8.47 2f27A1 GLN 8 HA 0.10 0.14 0.65 -0.75 4.36 4.49 2f27A1 GLN 8 HB2 0.16 0.20 -0.18 -0.04 2.15 2.28 2f27A1 GLN 8 HB3 0.19 -0.11 -0.05 -0.04 2.02 2.02 2f27A1 GLN 8 HG2 0.31 -0.01 -0.25 -0.04 2.40 2.41 2f27A1 GLN 8 HG3 0.17 0.02 0.04 -0.04 2.39 2.58 2f27A1 GLN 8 HE21 0.13 0.23 0.07 -0.04 6.97 7.37 2f27A1 GLN 8 HE22 0.16 0.02 0.00 -0.04 7.69 7.83 2f27A1 LYS 9 H 0.10 0.26 0.10 -0.55 8.42 8.33 2f27A1 LYS 9 HA 0.07 0.30 0.87 -0.75 4.32 4.80 2f27A1 LYS 9 HB2 0.06 0.06 -0.09 -0.04 1.87 1.85 2f27A1 LYS 9 HB3 0.06 -0.03 0.12 -0.04 1.79 1.90 2f27A1 LYS 9 HG2 0.06 -0.06 -0.19 -0.04 1.46 1.22 2f27A1 LYS 9 HG3 0.09 0.02 -0.04 -0.04 1.46 1.49 2f27A1 LYS 9 HD2 0.06 0.09 -0.02 -0.04 1.69 1.78 2f27A1 LYS 9 HD3 0.04 -0.01 -0.02 -0.04 1.68 1.65 2f27A1 LYS 9 HE2 0.05 -0.01 -0.01 -0.04 2.99 2.98 2f27A1 LYS 9 HE3 0.05 -0.04 -0.05 -0.04 2.99 2.90 2f27A1 GLU 10 H 0.14 0.64 0.29 -0.55 8.60 9.13 2f27A1 GLU 10 HA 0.05 0.12 0.83 -0.75 4.29 4.53 2f27A1 GLU 10 HB2 0.15 0.07 -0.10 -0.04 2.09 2.17 2f27A1 GLU 10 HB3 0.30 -0.02 -0.05 -0.04 1.99 2.17 2f27A1 GLU 10 HG2 -0.01 -0.04 -0.47 -0.04 2.34 1.79 2f27A1 GLU 10 HG3 0.02 0.01 -0.04 -0.04 2.34 2.29 2f27A1 SER 11 H -0.02 0.18 0.14 -0.55 8.46 8.21 2f27A1 SER 11 HA -0.10 0.09 0.66 -0.75 4.49 4.38 2f27A1 SER 11 HB2 -0.06 0.00 0.13 -0.04 3.95 3.98 2f27A1 SER 11 HB3 -0.07 0.09 0.00 -0.04 3.93 3.91 2f27A1 VAL 12 H -0.24 0.50 0.41 -0.55 8.24 8.36 2f27A1 VAL 12 HA -0.51 0.18 0.77 -0.75 4.13 3.81 2f27A1 VAL 12 HB -1.22 -0.01 -0.02 -0.04 2.12 0.83 2f27A1 VAL 12 HG13 -1.20 0.01 -0.15 -0.04 0.97 -0.41 2f27A1 VAL 12 HG23 -0.40 0.01 -0.14 -0.04 0.95 0.38 2f27A1 PHE 13 H -0.15 0.31 0.17 -0.55 8.34 8.12 2f27A1 PHE 13 HA -0.35 0.17 0.70 -0.75 4.62 4.39 2f27A1 PHE 13 HB2 -0.15 -0.11 -0.05 -0.04 3.15 2.79 2f27A1 PHE 13 HB3 -0.38 0.04 -0.16 -0.04 3.06 2.52 2f27A1 PHE 13 HD2 -0.43 -0.04 -0.18 -0.04 7.28 6.59 2f27A1 PHE 13 HE2 -0.17 -0.03 -0.31 -0.04 7.38 6.82 2f27A1 PHE 13 HZ -0.13 0.09 -0.33 -0.04 7.32 6.90 2f27A1 GLN 14 H -0.12 0.29 0.09 -0.55 8.47 8.18 2f27A1 GLN 14 HA 0.06 0.20 0.94 -0.75 4.36 4.81 2f27A1 GLN 14 HB2 0.00 -0.05 -0.04 -0.04 2.15 2.02 2f27A1 GLN 14 HB3 0.03 0.15 0.05 -0.04 2.02 2.22 2f27A1 GLN 14 HG2 -0.01 0.02 0.01 -0.04 2.40 2.38 2f27A1 GLN 14 HG3 -0.05 -0.07 -0.42 -0.04 2.39 1.81 2f27A1 GLN 14 HE21 -0.00 -0.03 -0.01 -0.04 6.97 6.89 2f27A1 GLN 14 HE22 -0.00 -0.00 0.00 -0.04 7.69 7.65 2f27A1 SER 15 H 0.11 0.54 0.28 -0.55 8.46 8.85 2f27A1 SER 15 HA 0.24 0.13 0.55 -0.75 4.49 4.65 2f27A1 SER 15 HB2 0.07 -0.03 0.18 -0.04 3.95 4.14 2f27A1 SER 15 HB3 0.07 0.03 0.06 -0.04 3.93 4.04 2f27A1 GLY 16 H 0.13 0.55 0.13 -0.55 8.43 8.69 2f27A1 GLY 16 HA2 0.05 0.10 0.53 -0.51 4.01 4.18 2f27A1 GLY 16 HA3 0.10 -0.04 0.42 -0.51 4.01 3.97 2f27A1 ALA 17 H 0.06 0.14 0.18 -0.55 8.40 8.24 2f27A1 ALA 17 HA -0.10 0.12 0.60 -0.75 4.34 4.21 2f27A1 ALA 17 HB3 -0.12 -0.00 0.10 -0.04 1.41 1.35 2f27A1 HIS 18 H 0.10 -0.00 -0.04 -0.55 8.41 7.92 2f27A1 HIS 18 HA -0.11 0.29 0.80 -0.75 4.63 4.86 2f27A1 HIS 18 HB2 -0.26 -0.10 -0.07 -0.04 3.26 2.79 2f27A1 HIS 18 HB3 -0.40 0.18 0.05 -0.04 3.20 2.99 2f27A1 HIS 18 HD2 0.05 -0.07 -0.12 -0.04 6.97 6.79 2f27A1 HIS 18 HE1 -0.04 -0.02 -0.08 -0.04 7.75 7.56 2f27A1 ALA 19 H -0.14 0.73 0.16 -0.55 8.40 8.60 2f27A1 ALA 19 HA -0.00 0.10 0.76 -0.75 4.34 4.44 2f27A1 ALA 19 HB3 -0.04 0.04 -0.22 -0.04 1.41 1.15 2f27A1 TYR 20 H 0.12 0.25 -0.02 -0.55 8.29 8.09 2f27A1 TYR 20 HA -0.11 0.43 1.02 -0.75 4.56 5.15 2f27A1 TYR 20 HB2 -0.03 -0.09 -0.21 -0.04 3.06 2.70 2f27A1 TYR 20 HB3 -0.32 0.02 -0.20 -0.04 2.98 2.44 2f27A1 TYR 20 HD2 -0.16 0.00 -0.42 -0.04 7.15 6.54 2f27A1 TYR 20 HE2 0.02 0.01 -0.14 -0.04 6.85 6.70 2f27A1 ARG 21 H -0.07 0.56 0.25 -0.55 8.46 8.65 2f27A1 ARG 21 HA 0.02 0.12 0.70 -0.75 4.34 4.43 2f27A1 ARG 21 HB2 -0.11 0.04 -0.06 -0.04 1.90 1.74 2f27A1 ARG 21 HB3 -0.14 -0.08 0.10 -0.04 1.80 1.64 2f27A1 ARG 21 HG2 0.07 0.04 0.06 -0.04 1.67 1.80 2f27A1 ARG 21 HG3 -0.06 0.02 -0.27 -0.04 1.67 1.31 2f27A1 ARG 21 HD2 -0.54 0.01 0.01 -0.04 3.22 2.66 2f27A1 ARG 21 HD3 -0.30 0.07 -0.01 -0.04 3.22 2.93 2f27A1 ILE 22 H -0.05 0.08 0.15 -0.55 8.25 7.87 2f27A1 ILE 22 HA 0.09 0.06 0.39 -0.75 4.18 3.97 2f27A1 ILE 22 HB 0.01 0.03 0.28 -0.04 1.89 2.17 2f27A1 ILE 22 HG12 -0.09 -0.09 -0.51 -0.04 1.49 0.75 2f27A1 ILE 22 HG13 -0.05 -0.00 -0.02 -0.04 1.21 1.10 2f27A1 ILE 22 HG23 0.13 0.01 0.07 -0.04 0.93 1.11 2f27A1 ILE 22 HD13 -0.30 0.01 0.07 -0.04 0.88 0.62 2f27A1 PRO 23 HA 0.12 0.41 0.54 -0.51 4.44 5.00 2f27A1 PRO 23 HB2 0.20 0.01 -0.20 -0.04 2.28 2.24 2f27A1 PRO 23 HB3 0.14 -0.04 -0.16 -0.04 2.02 1.92 2f27A1 PRO 23 HG2 0.22 0.08 -0.28 -0.04 2.03 2.00 2f27A1 PRO 23 HG3 0.20 0.05 -0.32 -0.04 2.03 1.92 2f27A1 PRO 23 HD2 0.25 0.03 0.09 -0.04 3.68 4.01 2f27A1 PRO 23 HD3 0.13 0.00 -0.01 -0.04 3.65 3.74 2f27A1 ALA 24 H 0.25 0.51 0.26 -0.55 8.40 8.87 2f27A1 ALA 24 HA 0.26 0.06 0.68 -0.75 4.34 4.58 2f27A1 ALA 24 HB3 0.22 0.03 -0.05 -0.04 1.41 1.57 2f27A1 LEU 25 H 0.32 0.19 0.16 -0.55 8.37 8.49 2f27A1 LEU 25 HA 0.35 0.39 1.11 -0.75 4.35 5.45 2f27A1 LEU 25 HB2 0.31 -0.04 -0.17 -0.04 1.64 1.69 2f27A1 LEU 25 HB3 0.27 0.04 -0.15 -0.04 1.64 1.76 2f27A1 LEU 25 HG 0.31 -0.02 -0.32 -0.04 1.64 1.56 2f27A1 LEU 25 HD13 0.40 0.02 -0.22 -0.04 0.93 1.09 2f27A1 LEU 25 HD23 0.37 -0.02 -0.33 -0.04 0.89 0.87 2f27A1 LEU 26 H 0.33 0.45 0.25 -0.55 8.37 8.85 2f27A1 LEU 26 HA 0.27 0.20 0.93 -0.75 4.35 4.99 2f27A1 LEU 26 HB2 0.40 0.03 -0.19 -0.04 1.64 1.84 2f27A1 LEU 26 HB3 0.39 -0.04 0.04 -0.04 1.64 1.98 2f27A1 LEU 26 HG 0.22 0.09 -0.31 -0.04 1.64 1.59 2f27A1 LEU 26 HD13 0.31 0.00 0.03 -0.04 0.93 1.24 2f27A1 LEU 26 HD23 0.35 -0.03 -0.24 -0.04 0.89 0.92 2f27A1 TYR 27 H 0.27 0.21 0.16 -0.55 8.29 8.37 2f27A1 TYR 27 HA 0.04 0.19 0.89 -0.75 4.56 4.93 2f27A1 TYR 27 HB2 0.06 -0.05 -0.08 -0.04 3.06 2.95 2f27A1 TYR 27 HB3 0.05 0.04 0.15 -0.04 2.98 3.18 2f27A1 TYR 27 HD2 -0.01 -0.01 -0.15 -0.04 7.15 6.94 2f27A1 TYR 27 HE2 -0.08 -0.02 -0.20 -0.04 6.85 6.51 2f27A1 LEU 28 H -0.48 0.77 0.25 -0.55 8.37 8.36 2f27A1 LEU 28 HA -0.42 0.17 0.79 -0.75 4.35 4.14 2f27A1 LEU 28 HB2 -0.37 -0.05 0.21 -0.04 1.64 1.39 2f27A1 LEU 28 HB3 -0.48 -0.06 0.06 -0.04 1.64 1.11 2f27A1 LEU 28 HG -0.11 0.09 -0.18 -0.04 1.64 1.39 2f27A1 LEU 28 HD13 -0.11 -0.00 -0.10 -0.04 0.93 0.68 2f27A1 LEU 28 HD23 -0.24 0.02 -0.20 -0.04 0.89 0.43 2f27A1 PRO 29 HA -0.39 0.10 0.40 -0.51 4.44 4.04 2f27A1 PRO 29 HB2 0.02 0.05 -0.00 -0.04 2.28 2.31 2f27A1 PRO 29 HB3 0.12 0.07 0.08 -0.04 2.02 2.25 2f27A1 PRO 29 HG2 0.01 -0.06 0.11 -0.04 2.03 2.04 2f27A1 PRO 29 HG3 0.11 0.09 0.09 -0.04 2.03 2.28 2f27A1 PRO 29 HD2 -0.20 0.09 0.30 -0.04 3.68 3.82 2f27A1 PRO 29 HD3 -0.06 0.27 0.04 -0.04 3.65 3.86 2f27A1 GLY 30 H -0.19 0.11 -0.14 -0.55 8.43 7.67 2f27A1 GLY 30 HA2 -0.08 0.12 0.44 -0.51 4.01 3.98 2f27A1 GLY 30 HA3 -0.11 0.02 0.28 -0.51 4.01 3.69 2f27A1 GLN 31 H -0.34 0.17 -0.32 -0.55 8.47 7.43 2f27A1 GLN 31 HA -0.21 0.16 0.71 -0.75 4.36 4.28 2f27A1 GLN 31 HB2 -0.32 -0.00 0.04 -0.04 2.15 1.83 2f27A1 GLN 31 HB3 -0.25 0.02 0.04 -0.04 2.02 1.79 2f27A1 GLN 31 HG2 -0.63 -0.13 -0.09 -0.04 2.40 1.50 2f27A1 GLN 31 HG3 -0.62 0.02 -0.04 -0.04 2.39 1.71 2f27A1 GLN 31 HE21 -0.27 0.02 -0.12 -0.04 6.97 6.56 2f27A1 GLN 31 HE22 -0.51 -0.10 -0.27 -0.04 7.69 6.78 2f27A1 GLN 32 H -0.28 0.28 -0.10 -0.55 8.47 7.82 2f27A1 GLN 32 HA -0.03 0.02 0.30 -0.75 4.36 3.89 2f27A1 GLN 32 HB2 -0.01 0.02 -0.16 -0.04 2.15 1.96 2f27A1 GLN 32 HB3 -0.02 0.16 0.16 -0.04 2.02 2.28 2f27A1 GLN 32 HG2 0.16 -0.01 0.26 -0.04 2.40 2.77 2f27A1 GLN 32 HG3 0.15 -0.02 0.09 -0.04 2.39 2.58 2f27A1 GLN 32 HE21 0.09 -0.14 0.07 -0.04 6.97 6.95 2f27A1 GLN 32 HE22 0.13 0.48 0.19 -0.04 7.69 8.45 2f27A1 SER 33 H -0.31 0.19 -0.08 -0.55 8.46 7.72 2f27A1 SER 33 HA -0.10 0.13 1.03 -0.75 4.49 4.80 2f27A1 SER 33 HB2 -0.14 0.16 0.09 -0.04 3.95 4.03 2f27A1 SER 33 HB3 -0.13 0.07 -0.18 -0.04 3.93 3.65 2f27A1 LEU 34 H -0.21 0.68 0.34 -0.55 8.37 8.63 2f27A1 LEU 34 HA 0.11 0.27 1.06 -0.75 4.35 5.02 2f27A1 LEU 34 HB2 -0.35 -0.06 -0.02 -0.04 1.64 1.18 2f27A1 LEU 34 HB3 0.24 0.01 -0.14 -0.04 1.64 1.70 2f27A1 LEU 34 HG 0.19 -0.02 -0.36 -0.04 1.64 1.41 2f27A1 LEU 34 HD13 0.02 -0.01 -0.22 -0.04 0.93 0.68 2f27A1 LEU 34 HD23 0.30 0.01 -0.25 -0.04 0.89 0.90 2f27A1 LEU 35 H 0.20 0.58 0.29 -0.55 8.37 8.89 2f27A1 LEU 35 HA 0.06 0.23 0.98 -0.75 4.35 4.87 2f27A1 LEU 35 HB2 0.29 -0.06 0.15 -0.04 1.64 1.98 2f27A1 LEU 35 HB3 -0.20 0.02 -0.07 -0.04 1.64 1.35 2f27A1 LEU 35 HG 0.09 -0.02 -0.23 -0.04 1.64 1.44 2f27A1 LEU 35 HD13 0.36 -0.00 -0.18 -0.04 0.93 1.07 2f27A1 LEU 35 HD23 0.04 0.05 -0.10 -0.04 0.89 0.85 2f27A1 ALA 36 H 0.12 0.72 0.24 -0.55 8.40 8.94 2f27A1 ALA 36 HA 0.20 0.25 1.04 -0.75 4.34 5.07 2f27A1 ALA 36 HB3 -0.13 -0.02 -0.00 -0.04 1.41 1.22 2f27A1 PHE 37 H 0.39 0.83 0.38 -0.55 8.34 9.37 2f27A1 PHE 37 HA 0.10 0.32 1.02 -0.75 4.62 5.30 2f27A1 PHE 37 HB2 0.09 -0.03 0.05 -0.04 3.15 3.22 2f27A1 PHE 37 HB3 0.01 0.02 0.04 -0.04 3.06 3.08 2f27A1 PHE 37 HD2 0.06 0.11 -0.17 -0.04 7.28 7.24 2f27A1 PHE 37 HE2 0.04 -0.02 -0.17 -0.04 7.38 7.19 2f27A1 PHE 37 HZ 0.44 -0.04 -0.18 -0.04 7.32 7.51 2f27A1 ALA 38 H 0.05 0.50 0.31 -0.55 8.40 8.71 2f27A1 ALA 38 HA -0.04 0.35 0.43 -0.75 4.34 4.33 2f27A1 ALA 38 HB3 -0.59 -0.01 -0.26 -0.04 1.41 0.51 2f27A1 GLU 39 H -0.07 0.83 0.35 -0.55 8.60 9.16 2f27A1 GLU 39 HA -0.09 0.17 0.87 -0.75 4.29 4.49 2f27A1 GLU 39 HB2 -0.08 0.01 0.16 -0.04 2.09 2.14 2f27A1 GLU 39 HB3 -0.09 -0.01 -0.04 -0.04 1.99 1.81 2f27A1 GLU 39 HG2 -0.05 0.17 0.04 -0.04 2.34 2.46 2f27A1 GLU 39 HG3 -0.03 0.03 0.05 -0.04 2.34 2.35 2f27A1 GLN 40 H -0.13 0.91 0.43 -0.55 8.47 9.12 2f27A1 GLN 40 HA -0.52 0.21 0.81 -0.75 4.36 4.10 2f27A1 GLN 40 HB2 -0.08 -0.05 -0.06 -0.04 2.15 1.93 2f27A1 GLN 40 HB3 -0.21 -0.09 0.13 -0.04 2.02 1.81 2f27A1 GLN 40 HG2 -0.64 0.03 -0.23 -0.04 2.40 1.52 2f27A1 GLN 40 HG3 -0.58 0.03 -0.08 -0.04 2.39 1.72 2f27A1 GLN 40 HE21 -0.05 -0.03 -0.10 -0.04 6.97 6.75 2f27A1 GLN 40 HE22 0.12 0.02 -0.11 -0.04 7.69 7.68 2f27A1 ARG 41 H -0.33 0.76 0.29 -0.55 8.46 8.63 2f27A1 ARG 41 HA -0.08 0.16 1.05 -0.75 4.34 4.72 2f27A1 ARG 41 HB2 -0.07 0.25 -0.06 -0.04 1.90 1.98 2f27A1 ARG 41 HB3 -0.04 0.01 -0.33 -0.04 1.80 1.40 2f27A1 ARG 41 HG2 -0.14 -0.15 -0.60 -0.04 1.67 0.74 2f27A1 ARG 41 HG3 -0.13 -0.01 -0.24 -0.04 1.67 1.25 2f27A1 ARG 41 HD2 -0.07 -0.01 -0.12 -0.04 3.22 2.97 2f27A1 ARG 41 HD3 -0.10 -0.06 -0.14 -0.04 3.22 2.88 2f27A1 ALA 42 H 0.01 0.79 0.28 -0.55 8.40 8.93 2f27A1 ALA 42 HA 0.05 0.09 0.59 -0.75 4.34 4.32 2f27A1 ALA 42 HB3 -0.09 -0.01 0.13 -0.04 1.41 1.40 2f27A1 SER 43 H 0.03 0.29 -0.13 -0.55 8.46 8.11 2f27A1 SER 43 HA 0.00 0.17 0.40 -0.75 4.49 4.31 2f27A1 SER 43 HB2 0.06 -0.02 0.15 -0.04 3.95 4.11 2f27A1 SER 43 HB3 0.06 0.13 -0.20 -0.04 3.93 3.87 2f27A1 LYS 44 H 0.01 0.16 0.09 -0.55 8.42 8.12 2f27A1 LYS 44 HA -0.06 0.14 0.37 -0.75 4.32 4.01 2f27A1 LYS 44 HB2 -0.03 -0.05 0.05 -0.04 1.87 1.79 2f27A1 LYS 44 HB3 -0.10 0.01 0.04 -0.04 1.79 1.69 2f27A1 LYS 44 HG2 0.03 0.11 0.01 -0.04 1.46 1.57 2f27A1 LYS 44 HG3 0.02 -0.07 0.04 -0.04 1.46 1.41 2f27A1 LYS 44 HD2 0.05 -0.08 0.02 -0.04 1.69 1.64 2f27A1 LYS 44 HD3 0.13 0.03 0.01 -0.04 1.68 1.81 2f27A1 LYS 44 HE2 0.09 0.12 -0.06 -0.04 2.99 3.10 2f27A1 LYS 44 HE3 0.05 -0.08 0.00 -0.04 2.99 2.93 2f27A1 LYS 45 H -0.03 -0.00 -0.27 -0.55 8.42 7.56 2f27A1 LYS 45 HA -0.15 0.07 0.40 -0.75 4.32 3.89 2f27A1 LYS 45 HB2 -0.40 0.01 -0.02 -0.04 1.87 1.43 2f27A1 LYS 45 HB3 -0.31 -0.06 -0.02 -0.04 1.79 1.36 2f27A1 LYS 45 HG2 -0.12 0.04 0.00 -0.04 1.46 1.35 2f27A1 LYS 45 HG3 -0.07 -0.03 0.01 -0.04 1.46 1.34 2f27A1 LYS 45 HD2 -0.24 0.02 -0.03 -0.04 1.69 1.41 2f27A1 LYS 45 HD3 -0.18 -0.01 -0.01 -0.04 1.68 1.44 2f27A1 LYS 45 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.93 2f27A1 LYS 45 HE3 -0.04 0.02 -0.01 -0.04 2.99 2.93 2f27A1 ASP 46 H -0.14 0.13 0.17 -0.55 8.40 8.00 2f27A1 ASP 46 HA -0.11 0.15 0.34 -0.75 4.63 4.26 2f27A1 ASP 46 HB2 -0.09 -0.10 0.14 -0.04 2.71 2.62 2f27A1 ASP 46 HB3 -0.07 0.06 0.01 -0.04 2.70 2.66 2f27A1 GLU 47 H -0.17 0.02 -0.15 -0.55 8.60 7.76 2f27A1 GLU 47 HA -0.04 0.20 0.44 -0.75 4.29 4.14 2f27A1 GLU 47 HB2 -0.04 0.18 0.07 -0.04 2.09 2.26 2f27A1 GLU 47 HB3 -0.09 -0.15 0.03 -0.04 1.99 1.75 2f27A1 GLU 47 HG2 -0.38 0.04 -0.30 -0.04 2.34 1.67 2f27A1 GLU 47 HG3 -0.11 0.07 -0.01 -0.04 2.34 2.24 2f27A1 HIS 48 H -0.07 0.39 -0.67 -0.55 8.41 7.52 2f27A1 HIS 48 HA -0.04 0.21 0.77 -0.75 4.63 4.83 2f27A1 HIS 48 HB2 -0.05 0.17 -0.04 -0.04 3.26 3.30 2f27A1 HIS 48 HB3 -0.04 -0.19 0.14 -0.04 3.20 3.08 2f27A1 HIS 48 HD2 -0.03 0.26 -0.29 -0.04 6.97 6.86 2f27A1 HIS 48 HE1 -0.03 -0.00 -0.05 -0.04 7.75 7.63 2f27A1 ALA 49 H 0.00 0.27 -0.31 -0.55 8.40 7.81 2f27A1 ALA 49 HA -0.05 -0.05 0.40 -0.75 4.34 3.89 2f27A1 ALA 49 HB3 -0.03 0.04 0.02 -0.04 1.41 1.39 2f27A1 GLU 50 H -0.07 0.30 0.24 -0.55 8.60 8.52 2f27A1 GLU 50 HA -0.02 0.19 1.05 -0.75 4.29 4.75 2f27A1 GLU 50 HB2 -0.10 -0.10 0.26 -0.04 2.09 2.10 2f27A1 GLU 50 HB3 -0.04 -0.05 0.08 -0.04 1.99 1.93 2f27A1 GLU 50 HG2 -0.02 0.07 -0.18 -0.04 2.34 2.17 2f27A1 GLU 50 HG3 -0.04 -0.03 0.03 -0.04 2.34 2.25 2f27A1 LEU 51 H -0.12 0.34 0.37 -0.55 8.37 8.41 2f27A1 LEU 51 HA -0.11 0.26 1.02 -0.75 4.35 4.77 2f27A1 LEU 51 HB2 -0.12 -0.05 -0.01 -0.04 1.64 1.41 2f27A1 LEU 51 HB3 -0.11 -0.00 0.10 -0.04 1.64 1.59 2f27A1 LEU 51 HG -0.07 -0.09 -0.28 -0.04 1.64 1.16 2f27A1 LEU 51 HD13 -0.07 -0.02 -0.07 -0.04 0.93 0.74 2f27A1 LEU 51 HD23 -0.06 0.06 -0.05 -0.04 0.89 0.79 2f27A1 ILE 52 H -0.17 0.25 0.21 -0.55 8.25 7.99 2f27A1 ILE 52 HA -0.09 0.25 1.11 -0.75 4.18 4.70 2f27A1 ILE 52 HB -0.27 -0.01 0.15 -0.04 1.89 1.72 2f27A1 ILE 52 HG12 -0.12 0.03 -0.20 -0.04 1.49 1.15 2f27A1 ILE 52 HG13 -0.22 -0.04 -0.29 -0.04 1.21 0.62 2f27A1 ILE 52 HG23 -0.02 0.01 -0.11 -0.04 0.93 0.77 2f27A1 ILE 52 HD13 -0.40 0.01 -0.21 -0.04 0.88 0.24 2f27A1 VAL 53 H -0.03 0.67 0.35 -0.55 8.24 8.67 2f27A1 VAL 53 HA 0.02 0.14 1.01 -0.75 4.13 4.55 2f27A1 VAL 53 HB 0.15 -0.02 -0.05 -0.04 2.12 2.16 2f27A1 VAL 53 HG13 0.08 -0.03 -0.25 -0.04 0.97 0.72 2f27A1 VAL 53 HG23 -0.07 0.01 -0.19 -0.04 0.95 0.66 2f27A1 LEU 54 H 0.08 0.42 0.32 -0.55 8.37 8.64 2f27A1 LEU 54 HA -0.02 0.36 0.90 -0.75 4.35 4.83 2f27A1 LEU 54 HB2 -0.15 0.01 -0.24 -0.04 1.64 1.21 2f27A1 LEU 54 HB3 0.03 0.03 -0.06 -0.04 1.64 1.60 2f27A1 LEU 54 HG -0.03 -0.03 -0.43 -0.04 1.64 1.10 2f27A1 LEU 54 HD13 -0.86 0.00 -0.17 -0.04 0.93 -0.14 2f27A1 LEU 54 HD23 0.24 -0.01 -0.15 -0.04 0.89 0.93 2f27A1 ARG 55 H -0.01 0.58 0.28 -0.55 8.46 8.75 2f27A1 ARG 55 HA 0.03 0.24 0.72 -0.75 4.34 4.58 2f27A1 ARG 55 HB2 -0.28 -0.08 0.04 -0.04 1.90 1.53 2f27A1 ARG 55 HB3 0.01 0.11 -0.10 -0.04 1.80 1.78 2f27A1 ARG 55 HG2 -0.14 0.01 -0.16 -0.04 1.67 1.33 2f27A1 ARG 55 HG3 -0.37 -0.08 -0.25 -0.04 1.67 0.93 2f27A1 ARG 55 HD2 -0.82 0.09 0.02 -0.04 3.22 2.47 2f27A1 ARG 55 HD3 -0.98 -0.10 -0.05 -0.04 3.22 2.05 2f27A1 ARG 56 H 0.10 0.22 0.08 -0.55 8.46 8.30 2f27A1 ARG 56 HA 0.09 0.28 0.96 -0.75 4.34 4.92 2f27A1 ARG 56 HB2 0.03 0.03 -0.01 -0.04 1.90 1.91 2f27A1 ARG 56 HB3 0.02 -0.06 0.13 -0.04 1.80 1.86 2f27A1 ARG 56 HG2 -0.07 -0.04 -0.32 -0.04 1.67 1.21 2f27A1 ARG 56 HG3 -0.04 0.07 -0.05 -0.04 1.67 1.61 2f27A1 ARG 56 HD2 -0.01 -0.04 -0.05 -0.04 3.22 3.07 2f27A1 ARG 56 HD3 -0.05 -0.01 -0.09 -0.04 3.22 3.03 2f27A1 GLY 57 H -0.17 0.80 0.37 -0.55 8.43 8.88 2f27A1 GLY 57 HA2 -0.61 0.27 0.98 -0.51 4.01 4.15 2f27A1 GLY 57 HA3 -1.90 -0.04 0.17 -0.51 4.01 1.73 2f27A1 ASP 58 H -0.42 0.60 0.27 -0.55 8.40 8.30 2f27A1 ASP 58 HA -0.17 0.24 1.10 -0.75 4.63 5.04 2f27A1 ASP 58 HB2 -0.16 -0.05 0.16 -0.04 2.71 2.62 2f27A1 ASP 58 HB3 -0.11 0.09 0.01 -0.04 2.70 2.65 2f27A1 TYR 59 H 0.04 0.63 0.28 -0.55 8.29 8.69 2f27A1 TYR 59 HA -0.13 0.08 0.63 -0.75 4.56 4.39 2f27A1 TYR 59 HB2 -0.03 -0.06 -0.08 -0.04 3.06 2.84 2f27A1 TYR 59 HB3 -0.00 0.09 0.11 -0.04 2.98 3.14 2f27A1 TYR 59 HD2 -0.00 -0.05 -0.28 -0.04 7.15 6.78 2f27A1 TYR 59 HE2 0.02 -0.00 -0.22 -0.04 6.85 6.62 2f27A1 ASP 60 H -0.44 0.70 0.34 -0.55 8.40 8.44 2f27A1 ASP 60 HA -0.16 0.12 0.77 -0.75 4.63 4.60 2f27A1 ASP 60 HB2 -0.17 0.06 0.06 -0.04 2.71 2.62 2f27A1 ASP 60 HB3 -0.25 -0.01 0.19 -0.04 2.70 2.59 2f27A1 ALA 61 H -0.09 0.21 0.15 -0.55 8.40 8.12 2f27A1 ALA 61 HA -0.09 0.09 0.39 -0.75 4.34 3.97 2f27A1 ALA 61 HB3 0.06 0.03 0.08 -0.04 1.41 1.53 2f27A1 PRO 62 HA -0.01 0.10 0.42 -0.51 4.44 4.45 2f27A1 PRO 62 HB2 -0.07 -0.00 0.02 -0.04 2.28 2.18 2f27A1 PRO 62 HB3 -0.03 0.04 0.06 -0.04 2.02 2.05 2f27A1 PRO 62 HG2 -0.04 0.04 0.06 -0.04 2.03 2.05 2f27A1 PRO 62 HG3 -0.02 0.06 0.06 -0.04 2.03 2.09 2f27A1 PRO 62 HD2 -0.09 0.04 0.02 -0.04 3.68 3.60 2f27A1 PRO 62 HD3 -0.04 0.07 0.18 -0.04 3.65 3.82 2f27A1 THR 63 H -0.17 0.05 -0.33 -0.55 8.28 7.28 2f27A1 THR 63 HA -0.29 0.22 0.79 -0.75 4.39 4.36 2f27A1 THR 63 HB -0.24 0.03 0.05 -0.04 4.32 4.13 2f27A1 THR 63 HG23 -0.12 -0.02 -0.08 -0.04 1.22 0.96 2f27A1 HIS 64 H -0.21 0.22 -0.26 -0.55 8.41 7.61 2f27A1 HIS 64 HA -0.51 0.03 0.29 -0.75 4.63 3.69 2f27A1 HIS 64 HB2 0.09 -0.11 0.17 -0.04 3.26 3.37 2f27A1 HIS 64 HB3 0.03 0.02 0.06 -0.04 3.20 3.27 2f27A1 HIS 64 HD2 0.03 -0.06 0.14 -0.04 6.97 7.03 2f27A1 HIS 64 HE1 -0.01 -0.04 -0.04 -0.04 7.75 7.62 2f27A1 GLN 65 H -0.38 0.25 -0.05 -0.55 8.47 7.74 2f27A1 GLN 65 HA 0.02 0.16 0.67 -0.75 4.36 4.46 2f27A1 GLN 65 HB2 -0.15 -0.11 -0.13 -0.04 2.15 1.72 2f27A1 GLN 65 HB3 -0.04 0.00 -0.05 -0.04 2.02 1.89 2f27A1 GLN 65 HG2 -0.24 0.43 -0.47 -0.04 2.40 2.07 2f27A1 GLN 65 HG3 -0.13 -0.10 -0.08 -0.04 2.39 2.04 2f27A1 GLN 65 HE21 0.08 0.36 0.19 -0.04 6.97 7.57 2f27A1 GLN 65 HE22 0.04 0.37 0.08 -0.04 7.69 8.14 2f27A1 VAL 66 H 0.08 0.20 0.05 -0.55 8.24 8.01 2f27A1 VAL 66 HA -0.22 0.31 0.87 -0.75 4.13 4.34 2f27A1 VAL 66 HB -0.11 -0.02 -0.05 -0.04 2.12 1.90 2f27A1 VAL 66 HG13 -1.39 -0.01 -0.45 -0.04 0.97 -0.92 2f27A1 VAL 66 HG23 0.11 -0.00 -0.31 -0.04 0.95 0.71 2f27A1 GLN 67 H -0.31 0.57 0.25 -0.55 8.47 8.44 2f27A1 GLN 67 HA -0.09 0.15 0.89 -0.75 4.36 4.56 2f27A1 GLN 67 HB2 -0.10 -0.00 -0.01 -0.04 2.15 1.99 2f27A1 GLN 67 HB3 -0.14 0.01 0.15 -0.04 2.02 2.00 2f27A1 GLN 67 HG2 -0.06 -0.01 -0.25 -0.04 2.40 2.04 2f27A1 GLN 67 HG3 -0.02 0.03 -0.02 -0.04 2.39 2.34 2f27A1 GLN 67 HE21 -0.04 -0.02 -0.03 -0.04 6.97 6.83 2f27A1 GLN 67 HE22 -0.06 -0.00 -0.05 -0.04 7.69 7.53 2f27A1 TRP 68 H 0.16 0.18 0.10 -0.55 7.97 7.86 2f27A1 TRP 68 HA -0.11 0.19 0.96 -0.75 4.62 4.90 2f27A1 TRP 68 HB2 -0.14 -0.01 0.05 -0.04 3.23 3.08 2f27A1 TRP 68 HB3 -0.18 0.13 -0.11 -0.04 3.23 3.03 2f27A1 TRP 68 HD1 -0.10 0.04 -0.08 -0.04 7.22 7.04 2f27A1 TRP 68 HE1 -0.29 0.00 -0.17 -0.04 10.20 9.70 2f27A1 TRP 68 HE3 -0.18 0.05 -0.66 -0.04 7.59 6.75 2f27A1 TRP 68 HZ2 -2.22 -0.01 -0.20 -0.04 7.44 4.97 2f27A1 TRP 68 HZ3 -0.15 0.09 -0.24 -0.04 7.13 6.79 2f27A1 TRP 68 HH2 -0.31 -0.03 -0.25 -0.04 7.19 6.56 2f27A1 GLN 69 H 0.09 0.72 0.35 -0.55 8.47 9.08 2f27A1 GLN 69 HA 0.02 0.02 0.54 -0.75 4.36 4.20 2f27A1 GLN 69 HB2 0.04 -0.05 0.17 -0.04 2.15 2.27 2f27A1 GLN 69 HB3 0.02 -0.05 0.17 -0.04 2.02 2.12 2f27A1 GLN 69 HG2 -0.02 -0.04 0.02 -0.04 2.40 2.32 2f27A1 GLN 69 HG3 -0.03 0.14 0.11 -0.04 2.39 2.57 2f27A1 GLN 69 HE21 -0.03 -0.02 -0.03 -0.04 6.97 6.85 2f27A1 GLN 69 HE22 -0.05 0.01 -0.05 -0.04 7.69 7.55 2f27A1 ALA 70 H 0.01 0.04 0.17 -0.55 8.40 8.07 2f27A1 ALA 70 HA -0.02 0.05 0.44 -0.75 4.34 4.05 2f27A1 ALA 70 HB3 0.00 -0.00 0.12 -0.04 1.41 1.50 2f27A1 GLN 71 H -0.04 0.04 0.18 -0.55 8.47 8.10 2f27A1 GLN 71 HA 0.02 0.32 0.55 -0.75 4.36 4.49 2f27A1 GLN 71 HB2 0.16 -0.05 -0.01 -0.04 2.15 2.21 2f27A1 GLN 71 HB3 -0.07 0.06 0.07 -0.04 2.02 2.04 2f27A1 GLN 71 HG2 -0.00 -0.04 0.05 -0.04 2.40 2.37 2f27A1 GLN 71 HG3 0.06 -0.03 -0.29 -0.04 2.39 2.10 2f27A1 GLN 71 HE21 0.27 -0.00 -0.11 -0.04 6.97 7.09 2f27A1 GLN 71 HE22 0.14 -0.04 -0.14 -0.04 7.69 7.61 2f27A1 GLU 72 H 0.07 0.44 0.38 -0.55 8.60 8.94 2f27A1 GLU 72 HA 0.05 0.04 0.67 -0.75 4.29 4.30 2f27A1 GLU 72 HB2 0.05 -0.04 0.10 -0.04 2.09 2.16 2f27A1 GLU 72 HB3 0.05 0.09 -0.18 -0.04 1.99 1.91 2f27A1 GLU 72 HG2 0.07 0.12 0.07 -0.04 2.34 2.56 2f27A1 GLU 72 HG3 0.08 0.01 -0.25 -0.04 2.34 2.15 2f27A1 VAL 73 H 0.03 0.10 0.15 -0.55 8.24 7.98 2f27A1 VAL 73 HA -0.00 0.14 0.60 -0.75 4.13 4.12 2f27A1 VAL 73 HB -0.00 -0.05 0.08 -0.04 2.12 2.11 2f27A1 VAL 73 HG13 -0.05 0.01 -0.21 -0.04 0.97 0.68 2f27A1 VAL 73 HG23 -0.01 0.00 -0.02 -0.04 0.95 0.88 2f27A1 VAL 74 H -0.07 0.80 0.28 -0.55 8.24 8.70 2f27A1 VAL 74 HA -0.04 0.13 0.65 -0.75 4.13 4.11 2f27A1 VAL 74 HB -0.28 0.03 0.21 -0.04 2.12 2.04 2f27A1 VAL 74 HG13 -0.77 -0.05 -0.07 -0.04 0.97 0.04 2f27A1 VAL 74 HG23 -0.05 0.04 -0.17 -0.04 0.95 0.73 2f27A1 ALA 75 H 0.00 0.41 -0.25 -0.55 8.40 8.01 2f27A1 ALA 75 HA -0.04 0.04 0.21 -0.75 4.34 3.80 2f27A1 ALA 75 HB3 0.02 0.01 0.02 -0.04 1.41 1.42 2f27A1 GLN 76 H -0.00 0.04 -0.32 -0.55 8.47 7.64 2f27A1 GLN 76 HA 0.02 0.08 0.46 -0.75 4.36 4.17 2f27A1 GLN 76 HB2 0.08 -0.09 -0.08 -0.04 2.15 2.02 2f27A1 GLN 76 HB3 0.09 0.17 0.07 -0.04 2.02 2.31 2f27A1 GLN 76 HG2 0.09 -0.16 -0.02 -0.04 2.40 2.27 2f27A1 GLN 76 HG3 0.16 0.25 -0.06 -0.04 2.39 2.70 2f27A1 GLN 76 HE21 0.06 -0.10 -0.06 -0.04 6.97 6.82 2f27A1 GLN 76 HE22 0.09 0.20 -0.16 -0.04 7.69 7.77 2f27A1 ALA 77 H -0.21 0.45 -0.31 -0.55 8.40 7.78 2f27A1 ALA 77 HA -0.18 0.05 0.40 -0.75 4.34 3.85 2f27A1 ALA 77 HB3 -0.76 -0.00 0.07 -0.04 1.41 0.68 2f27A1 ARG 78 H 0.09 0.60 0.10 -0.55 8.46 8.70 2f27A1 ARG 78 HA 0.16 0.02 0.30 -0.75 4.34 4.07 2f27A1 ARG 78 HB2 0.02 0.07 0.06 -0.04 1.90 2.01 2f27A1 ARG 78 HB3 -0.08 0.15 -0.30 -0.04 1.80 1.53 2f27A1 ARG 78 HG2 -0.01 0.11 -0.25 -0.04 1.67 1.48 2f27A1 ARG 78 HG3 0.03 -0.10 -0.46 -0.04 1.67 1.09 2f27A1 ARG 78 HD2 -0.00 0.03 -0.09 -0.04 3.22 3.12 2f27A1 ARG 78 HD3 -0.03 0.01 -0.11 -0.04 3.22 3.05 2f27A1 LEU 79 H 0.11 0.27 0.04 -0.55 8.37 8.24 2f27A1 LEU 79 HA 0.01 0.16 0.87 -0.75 4.35 4.63 2f27A1 LEU 79 HB2 -0.25 -0.01 -0.06 -0.04 1.64 1.28 2f27A1 LEU 79 HB3 -0.24 0.04 -0.03 -0.04 1.64 1.37 2f27A1 LEU 79 HG -0.04 -0.03 -0.28 -0.04 1.64 1.25 2f27A1 LEU 79 HD13 -0.33 -0.00 -0.12 -0.04 0.93 0.44 2f27A1 LEU 79 HD23 -0.05 0.04 -0.12 -0.04 0.89 0.72 2f27A1 ASP 80 H 0.04 0.13 0.11 -0.55 8.40 8.13 2f27A1 ASP 80 HA 0.06 0.04 0.40 -0.75 4.63 4.38 2f27A1 ASP 80 HB2 0.04 0.02 0.15 -0.04 2.71 2.88 2f27A1 ASP 80 HB3 0.06 -0.00 0.12 -0.04 2.70 2.84 2f27A1 GLY 81 H 0.07 0.14 0.21 -0.55 8.43 8.30 2f27A1 GLY 81 HA2 0.03 -0.02 0.39 -0.51 4.01 3.90 2f27A1 GLY 81 HA3 0.06 0.06 0.48 -0.51 4.01 4.10 2f27A1 HIS 82 H 0.23 0.58 -0.30 -0.55 8.41 8.37 2f27A1 HIS 82 HA 0.02 0.15 0.93 -0.75 4.63 4.97 2f27A1 HIS 82 HB2 0.05 -0.06 -0.09 -0.04 3.26 3.12 2f27A1 HIS 82 HB3 0.05 -0.00 -0.22 -0.04 3.20 2.98 2f27A1 HIS 82 HD2 0.03 0.12 -0.58 -0.04 6.97 6.50 2f27A1 HIS 82 HE1 0.02 -0.03 -0.08 -0.04 7.75 7.61 2f27A1 ARG 83 H 0.07 0.72 0.32 -0.55 8.46 9.02 2f27A1 ARG 83 HA 0.03 0.18 0.85 -0.75 4.34 4.65 2f27A1 ARG 83 HB2 0.01 0.21 -0.04 -0.04 1.90 2.03 2f27A1 ARG 83 HB3 0.02 0.10 0.13 -0.04 1.80 2.01 2f27A1 ARG 83 HG2 0.02 -0.03 0.08 -0.04 1.67 1.70 2f27A1 ARG 83 HG3 0.02 -0.09 -0.49 -0.04 1.67 1.07 2f27A1 ARG 83 HD2 -0.01 -0.13 -0.09 -0.04 3.22 2.96 2f27A1 ARG 83 HD3 0.01 0.27 -0.07 -0.04 3.22 3.38 2f27A1 SER 84 H -0.00 0.67 0.22 -0.55 8.46 8.80 2f27A1 SER 84 HA 0.15 0.25 0.98 -0.75 4.49 5.12 2f27A1 SER 84 HB2 -0.14 -0.11 0.11 -0.04 3.95 3.78 2f27A1 SER 84 HB3 -0.21 -0.01 -0.05 -0.04 3.93 3.61 2f27A1 MET 85 H 0.14 0.68 0.32 -0.55 8.47 9.06 2f27A1 MET 85 HA -0.00 0.13 0.74 -0.75 4.52 4.63 2f27A1 MET 85 HB2 0.02 -0.01 -0.07 -0.04 2.15 2.05 2f27A1 MET 85 HB3 0.01 -0.09 0.08 -0.04 2.03 1.99 2f27A1 MET 85 HG2 -0.02 0.04 -0.17 -0.04 2.63 2.45 2f27A1 MET 85 HG3 0.01 0.01 -0.65 -0.04 2.56 1.89 2f27A1 MET 85 HE3 -0.03 -0.03 0.00 -0.04 2.10 2.00 2f27A1 ASN 86 H 0.03 0.09 0.13 -0.55 8.53 8.23 2f27A1 ASN 86 HA 0.07 0.05 0.41 -0.75 4.76 4.55 2f27A1 ASN 86 HB2 0.05 -0.08 -0.14 -0.04 2.88 2.67 2f27A1 ASN 86 HB3 0.08 0.30 0.22 -0.04 2.79 3.34 2f27A1 ASN 86 HD21 0.18 -0.09 -0.10 -0.04 7.03 6.98 2f27A1 ASN 86 HD22 0.12 0.42 -0.18 -0.04 7.74 8.06 2f27A1 PRO 87 HA -0.01 0.22 0.51 -0.51 4.44 4.65 2f27A1 PRO 87 HB2 -0.21 -0.02 -0.09 -0.04 2.28 1.93 2f27A1 PRO 87 HB3 -0.12 -0.00 -0.04 -0.04 2.02 1.82 2f27A1 PRO 87 HG2 0.08 0.03 -0.05 -0.04 2.03 2.05 2f27A1 PRO 87 HG3 0.06 -0.01 -0.15 -0.04 2.03 1.89 2f27A1 PRO 87 HD2 0.05 0.05 0.17 -0.04 3.68 3.91 2f27A1 PRO 87 HD3 -0.00 0.05 -0.08 -0.04 3.65 3.58 2f27A1 CYS 88 H 0.02 0.51 0.21 -0.55 8.50 8.69 2f27A1 CYS 88 HA 0.09 0.26 0.78 -0.75 4.58 4.96 2f27A1 CYS 88 HB2 0.21 -0.15 0.14 -0.04 2.97 3.13 2f27A1 CYS 88 HB3 0.14 0.05 0.06 -0.04 2.97 3.17 2f27A1 PRO 89 HA 0.10 0.32 0.79 -0.51 4.44 5.14 2f27A1 PRO 89 HB2 0.31 -0.02 -0.07 -0.04 2.28 2.45 2f27A1 PRO 89 HB3 -0.30 -0.00 -0.02 -0.04 2.02 1.66 2f27A1 PRO 89 HG2 0.29 0.01 -0.08 -0.04 2.03 2.21 2f27A1 PRO 89 HG3 0.31 0.02 -0.26 -0.04 2.03 2.06 2f27A1 PRO 89 HD2 0.13 0.16 -0.25 -0.04 3.68 3.69 2f27A1 PRO 89 HD3 -0.13 0.09 -0.25 -0.04 3.65 3.31 2f27A1 LEU 90 H 0.34 0.59 0.36 -0.55 8.37 9.11 2f27A1 LEU 90 HA 0.35 0.09 0.68 -0.75 4.35 4.72 2f27A1 LEU 90 HB2 0.37 0.11 -0.13 -0.04 1.64 1.95 2f27A1 LEU 90 HB3 0.48 -0.04 -0.01 -0.04 1.64 2.02 2f27A1 LEU 90 HG 0.33 -0.07 -0.44 -0.04 1.64 1.41 2f27A1 LEU 90 HD13 0.25 -0.04 -0.16 -0.04 0.93 0.93 2f27A1 LEU 90 HD23 0.25 0.00 -0.11 -0.04 0.89 0.99 2f27A1 TYR 91 H 0.39 0.24 0.13 -0.55 8.29 8.50 2f27A1 TYR 91 HA 0.26 0.23 1.06 -0.75 4.56 5.35 2f27A1 TYR 91 HB2 0.19 0.00 -0.04 -0.04 3.06 3.17 2f27A1 TYR 91 HB3 0.17 0.02 0.15 -0.04 2.98 3.29 2f27A1 TYR 91 HD2 0.12 0.01 -0.13 -0.04 7.15 7.11 2f27A1 TYR 91 HE2 0.08 0.17 -0.11 -0.04 6.85 6.95 2f27A1 ASP 92 H 0.03 0.73 0.18 -0.55 8.40 8.79 2f27A1 ASP 92 HA 0.03 0.14 0.68 -0.75 4.63 4.73 2f27A1 ASP 92 HB2 0.37 0.10 0.08 -0.04 2.71 3.21 2f27A1 ASP 92 HB3 0.07 -0.10 0.28 -0.04 2.70 2.91 2f27A1 ALA 93 H -0.10 0.33 0.18 -0.55 8.40 8.25 2f27A1 ALA 93 HA -0.38 0.07 0.32 -0.75 4.34 3.60 2f27A1 ALA 93 HB3 0.06 0.03 0.10 -0.04 1.41 1.57 2f27A1 GLN 94 H -0.04 -0.00 -0.38 -0.55 8.47 7.50 2f27A1 GLN 94 HA -0.02 0.22 0.74 -0.75 4.36 4.54 2f27A1 GLN 94 HB2 0.05 0.03 0.03 -0.04 2.15 2.22 2f27A1 GLN 94 HB3 -0.03 -0.04 0.05 -0.04 2.02 1.97 2f27A1 GLN 94 HG2 -0.17 -0.00 -0.23 -0.04 2.40 1.95 2f27A1 GLN 94 HG3 -0.03 0.01 0.05 -0.04 2.39 2.38 2f27A1 GLN 94 HE21 0.09 0.02 -0.03 -0.04 6.97 7.01 2f27A1 GLN 94 HE22 -0.03 -0.03 -0.03 -0.04 7.69 7.56 2f27A1 THR 95 H -0.11 0.02 0.01 -0.55 8.28 7.65 2f27A1 THR 95 HA -0.10 0.25 0.87 -0.75 4.39 4.65 2f27A1 THR 95 HB -0.08 0.03 0.11 -0.04 4.32 4.34 2f27A1 THR 95 HG23 -0.33 0.01 -0.04 -0.04 1.22 0.81 2f27A1 GLY 96 H -0.19 0.51 0.07 -0.55 8.43 8.28 2f27A1 GLY 96 HA2 -0.00 0.01 0.25 -0.51 4.01 3.76 2f27A1 GLY 96 HA3 0.06 0.12 0.51 -0.51 4.01 4.19 2f27A1 THR 97 H -0.07 -0.04 -0.29 -0.55 8.28 7.33 2f27A1 THR 97 HA -0.11 0.18 0.60 -0.75 4.39 4.31 2f27A1 THR 97 HB -0.06 -0.07 0.04 -0.04 4.32 4.20 2f27A1 THR 97 HG23 -0.53 0.01 -0.15 -0.04 1.22 0.51 2f27A1 LEU 98 H -0.15 0.59 0.44 -0.55 8.37 8.71 2f27A1 LEU 98 HA 0.31 0.20 0.97 -0.75 4.35 5.07 2f27A1 LEU 98 HB2 0.01 -0.01 0.08 -0.04 1.64 1.68 2f27A1 LEU 98 HB3 -0.20 -0.14 0.11 -0.04 1.64 1.36 2f27A1 LEU 98 HG 0.27 0.01 -0.11 -0.04 1.64 1.78 2f27A1 LEU 98 HD13 0.01 -0.05 -0.34 -0.04 0.93 0.52 2f27A1 LEU 98 HD23 0.54 0.01 -0.17 -0.04 0.89 1.23 2f27A1 PHE 99 H 0.44 0.86 0.42 -0.55 8.34 9.51 2f27A1 PHE 99 HA 0.09 0.21 1.08 -0.75 4.62 5.25 2f27A1 PHE 99 HB2 0.08 0.00 0.12 -0.04 3.15 3.30 2f27A1 PHE 99 HB3 -0.80 0.03 -0.07 -0.04 3.06 2.18 2f27A1 PHE 99 HD2 0.02 0.05 -0.14 -0.04 7.28 7.17 2f27A1 PHE 99 HE2 0.19 -0.00 -0.11 -0.04 7.38 7.42 2f27A1 PHE 99 HZ 0.16 0.25 -0.10 -0.04 7.32 7.59 2f27A1 LEU 100 H 0.01 0.55 0.24 -0.55 8.37 8.63 2f27A1 LEU 100 HA -0.11 0.14 0.77 -0.75 4.35 4.40 2f27A1 LEU 100 HB2 -0.50 -0.02 -0.13 -0.04 1.64 0.95 2f27A1 LEU 100 HB3 -0.40 -0.04 0.10 -0.04 1.64 1.25 2f27A1 LEU 100 HG -0.18 0.07 -0.39 -0.04 1.64 1.10 2f27A1 LEU 100 HD13 -0.70 -0.01 -0.15 -0.04 0.93 0.02 2f27A1 LEU 100 HD23 -0.66 -0.01 -0.13 -0.04 0.89 0.05 2f27A1 PHE 101 H 0.08 0.61 0.13 -0.55 8.34 8.61 2f27A1 PHE 101 HA -0.01 0.22 0.95 -0.75 4.62 5.02 2f27A1 PHE 101 HB2 -0.04 0.09 0.15 -0.04 3.15 3.30 2f27A1 PHE 101 HB3 -0.16 0.00 0.11 -0.04 3.06 2.97 2f27A1 PHE 101 HD2 -0.13 0.19 -0.02 -0.04 7.28 7.29 2f27A1 PHE 101 HE2 -0.09 -0.02 -0.14 -0.04 7.38 7.09 2f27A1 PHE 101 HZ -0.05 -0.05 -0.14 -0.04 7.32 7.03 2f27A1 PHE 102 H -0.15 0.55 0.35 -0.55 8.34 8.54 2f27A1 PHE 102 HA -0.00 0.35 0.53 -0.75 4.62 4.74 2f27A1 PHE 102 HB2 -0.05 0.19 0.01 -0.04 3.15 3.27 2f27A1 PHE 102 HB3 -0.08 0.03 -0.31 -0.04 3.06 2.65 2f27A1 PHE 102 HD2 -0.08 0.16 -0.45 -0.04 7.28 6.87 2f27A1 PHE 102 HE2 -0.07 -0.05 -0.38 -0.04 7.38 6.83 2f27A1 PHE 102 HZ -0.06 -0.01 -0.30 -0.04 7.32 6.92 2f27A1 ILE 103 H 0.14 0.57 0.30 -0.55 8.25 8.71 2f27A1 ILE 103 HA -0.10 0.31 1.20 -0.75 4.18 4.83 2f27A1 ILE 103 HB -0.16 -0.01 0.06 -0.04 1.89 1.75 2f27A1 ILE 103 HG12 0.01 0.12 -0.01 -0.04 1.49 1.57 2f27A1 ILE 103 HG13 0.00 -0.05 -0.14 -0.04 1.21 0.98 2f27A1 ILE 103 HG23 -0.13 -0.00 -0.09 -0.04 0.93 0.67 2f27A1 ILE 103 HD13 -0.12 -0.03 -0.01 -0.04 0.88 0.68 2f27A1 ALA 104 H -0.00 0.45 0.32 -0.55 8.40 8.62 2f27A1 ALA 104 HA 0.15 0.45 0.96 -0.75 4.34 5.15 2f27A1 ALA 104 HB3 0.07 -0.04 -0.11 -0.04 1.41 1.30 2f27A1 ILE 105 H 0.12 0.66 0.27 -0.55 8.25 8.74 2f27A1 ILE 105 HA 0.13 0.23 0.98 -0.75 4.18 4.77 2f27A1 ILE 105 HB 0.01 0.04 0.03 -0.04 1.89 1.94 2f27A1 ILE 105 HG12 -0.02 -0.02 -0.14 -0.04 1.49 1.27 2f27A1 ILE 105 HG13 0.00 -0.08 -0.35 -0.04 1.21 0.75 2f27A1 ILE 105 HG23 -0.01 0.04 -0.10 -0.04 0.93 0.82 2f27A1 ILE 105 HD13 -0.04 -0.00 -0.10 -0.04 0.88 0.69 2f27A1 PRO 106 HA -0.55 0.15 0.52 -0.51 4.44 4.04 2f27A1 PRO 106 HB2 -0.11 -0.08 0.11 -0.04 2.28 2.16 2f27A1 PRO 106 HB3 -0.23 0.01 0.10 -0.04 2.02 1.86 2f27A1 PRO 106 HG2 -0.04 0.03 0.12 -0.04 2.03 2.10 2f27A1 PRO 106 HG3 -0.37 0.03 0.07 -0.04 2.03 1.72 2f27A1 PRO 106 HD2 -0.01 0.03 0.18 -0.04 3.68 3.84 2f27A1 PRO 106 HD3 0.10 0.33 0.31 -0.04 3.65 4.35 2f27A1 GLY 107 H -0.14 0.67 0.43 -0.55 8.43 8.85 2f27A1 GLY 107 HA2 -0.03 0.04 0.39 -0.51 4.01 3.90 2f27A1 GLY 107 HA3 -0.04 -0.14 0.43 -0.51 4.01 3.75 2f27A1 GLN 108 H -0.02 0.00 0.17 -0.55 8.47 8.09 2f27A1 GLN 108 HA 0.01 0.39 0.99 -0.75 4.36 5.00 2f27A1 GLN 108 HB2 0.02 -0.08 0.10 -0.04 2.15 2.15 2f27A1 GLN 108 HB3 0.04 -0.10 0.19 -0.04 2.02 2.11 2f27A1 GLN 108 HG2 0.10 0.40 0.05 -0.04 2.40 2.91 2f27A1 GLN 108 HG3 0.03 -0.10 -0.21 -0.04 2.39 2.06 2f27A1 GLN 108 HE21 -0.02 -0.04 -0.01 -0.04 6.97 6.85 2f27A1 GLN 108 HE22 0.00 0.01 -0.03 -0.04 7.69 7.63 2f27A1 VAL 109 H -0.03 0.56 -0.01 -0.55 8.24 8.22 2f27A1 VAL 109 HA -0.02 -0.08 0.46 -0.75 4.13 3.73 2f27A1 VAL 109 HB -0.02 0.10 0.10 -0.04 2.12 2.26 2f27A1 VAL 109 HG13 -0.01 0.01 -0.11 -0.04 0.97 0.82 2f27A1 VAL 109 HG23 -0.03 -0.01 0.03 -0.04 0.95 0.90 2f27A1 THR 110 H -0.03 0.03 0.25 -0.55 8.28 7.98 2f27A1 THR 110 HA -0.04 0.22 0.51 -0.75 4.39 4.32 2f27A1 THR 110 HB -0.06 -0.12 0.18 -0.04 4.32 4.29 2f27A1 THR 110 HG23 -0.05 0.05 0.11 -0.04 1.22 1.28 2f27A1 GLN 111 H -0.05 0.16 0.15 -0.55 8.47 8.19 2f27A1 GLN 111 HA -0.06 0.18 0.43 -0.75 4.36 4.16 2f27A1 GLN 111 HB2 -0.03 0.09 0.07 -0.04 2.15 2.24 2f27A1 GLN 111 HB3 -0.04 -0.07 0.11 -0.04 2.02 1.98 2f27A1 GLN 111 HG2 -0.14 -0.01 -0.27 -0.04 2.40 1.94 2f27A1 GLN 111 HG3 -0.10 0.03 -0.03 -0.04 2.39 2.25 2f27A1 GLN 111 HE21 0.12 0.04 -0.07 -0.04 6.97 7.02 2f27A1 GLN 111 HE22 -0.01 -0.03 -0.09 -0.04 7.69 7.51 2f27A1 GLU 112 H -0.06 0.03 -0.11 -0.55 8.60 7.91 2f27A1 GLU 112 HA -0.09 0.14 0.39 -0.75 4.29 3.98 2f27A1 GLU 112 HB2 -0.05 -0.07 0.10 -0.04 2.09 2.02 2f27A1 GLU 112 HB3 -0.05 0.07 -0.09 -0.04 1.99 1.88 2f27A1 GLU 112 HG2 -0.06 0.01 0.01 -0.04 2.34 2.26 2f27A1 GLU 112 HG3 -0.04 0.02 0.01 -0.04 2.34 2.29 2f27A1 GLN 113 H -0.04 0.04 -0.31 -0.55 8.47 7.61 2f27A1 GLN 113 HA -0.03 0.06 0.40 -0.75 4.36 4.03 2f27A1 GLN 113 HB2 -0.03 0.18 0.08 -0.04 2.15 2.34 2f27A1 GLN 113 HB3 -0.02 0.06 0.01 -0.04 2.02 2.03 2f27A1 GLN 113 HG2 -0.02 0.05 0.04 -0.04 2.40 2.43 2f27A1 GLN 113 HG3 -0.03 -0.13 0.09 -0.04 2.39 2.27 2f27A1 GLN 113 HE21 -0.01 0.02 0.02 -0.04 6.97 6.95 2f27A1 GLN 113 HE22 -0.01 0.05 0.02 -0.04 7.69 7.70 2f27A1 GLN 114 H -0.04 0.26 -0.33 -0.55 8.47 7.81 2f27A1 GLN 114 HA -0.01 0.14 0.47 -0.75 4.36 4.20 2f27A1 GLN 114 HB2 -0.05 0.01 0.10 -0.04 2.15 2.16 2f27A1 GLN 114 HB3 -0.01 0.32 0.03 -0.04 2.02 2.32 2f27A1 GLN 114 HG2 0.01 0.14 0.12 -0.04 2.40 2.62 2f27A1 GLN 114 HG3 -0.02 -0.00 0.01 -0.04 2.39 2.34 2f27A1 GLN 114 HE21 -0.03 -0.05 -0.10 -0.04 6.97 6.75 2f27A1 GLN 114 HE22 -0.03 0.15 -0.31 -0.04 7.69 7.46 2f27A1 LEU 115 H -0.10 0.33 -0.20 -0.55 8.37 7.86 2f27A1 LEU 115 HA -0.11 0.06 0.41 -0.75 4.35 3.96 2f27A1 LEU 115 HB2 -0.14 -0.01 0.15 -0.04 1.64 1.60 2f27A1 LEU 115 HB3 -0.17 0.02 -0.01 -0.04 1.64 1.43 2f27A1 LEU 115 HG -0.29 0.29 -0.02 -0.04 1.64 1.58 2f27A1 LEU 115 HD13 -0.39 -0.03 -0.09 -0.04 0.93 0.38 2f27A1 LEU 115 HD23 -0.76 -0.00 -0.13 -0.04 0.89 -0.04 2f27A1 GLN 116 H -0.06 0.61 -0.00 -0.55 8.47 8.47 2f27A1 GLN 116 HA -0.03 0.04 0.40 -0.75 4.36 4.03 2f27A1 GLN 116 HB2 -0.03 0.03 0.11 -0.04 2.15 2.23 2f27A1 GLN 116 HB3 -0.02 -0.04 0.03 -0.04 2.02 1.95 2f27A1 GLN 116 HG2 -0.03 -0.02 0.04 -0.04 2.40 2.34 2f27A1 GLN 116 HG3 -0.04 0.19 0.11 -0.04 2.39 2.60 2f27A1 GLN 116 HE21 -0.02 -0.04 -0.02 -0.04 6.97 6.85 2f27A1 GLN 116 HE22 -0.02 0.01 -0.01 -0.04 7.69 7.63 2f27A1 THR 117 H -0.02 0.39 -0.29 -0.55 8.28 7.82 2f27A1 THR 117 HA -0.00 0.11 0.68 -0.75 4.39 4.43 2f27A1 THR 117 HB 0.00 -0.05 0.12 -0.04 4.32 4.35 2f27A1 THR 117 HG23 -0.01 -0.02 0.01 -0.04 1.22 1.17 2f27A1 ARG 118 H -0.01 0.23 -0.59 -0.55 8.46 7.54 2f27A1 ARG 118 HA 0.01 -0.02 0.34 -0.75 4.34 3.92 2f27A1 ARG 118 HB2 0.02 0.06 -0.12 -0.04 1.90 1.82 2f27A1 ARG 118 HB3 0.03 -0.06 0.15 -0.04 1.80 1.88 2f27A1 ARG 118 HG2 0.02 -0.01 0.05 -0.04 1.67 1.68 2f27A1 ARG 118 HG3 0.01 0.07 -0.21 -0.04 1.67 1.50 2f27A1 ARG 118 HD2 0.02 0.01 -0.04 -0.04 3.22 3.17 2f27A1 ARG 118 HD3 0.02 -0.04 -0.07 -0.04 3.22 3.09 2f27A1 ALA 119 H 0.01 0.25 -0.26 -0.55 8.40 7.85 2f27A1 ALA 119 HA 0.03 0.14 0.92 -0.75 4.34 4.68 2f27A1 ALA 119 HB3 0.03 -0.01 -0.03 -0.04 1.41 1.35 2f27A1 ASN 120 H 0.01 0.21 0.13 -0.55 8.53 8.32 2f27A1 ASN 120 HA 0.04 0.13 0.64 -0.75 4.76 4.81 2f27A1 ASN 120 HB2 -0.09 0.50 0.02 -0.04 2.88 3.27 2f27A1 ASN 120 HB3 -0.44 -0.05 0.11 -0.04 2.79 2.36 2f27A1 ASN 120 HD21 0.29 -0.12 -0.15 -0.04 7.03 7.01 2f27A1 ASN 120 HD22 -0.45 0.30 -0.04 -0.04 7.74 7.50 2f27A1 VAL 121 H 0.10 0.10 0.24 -0.55 8.24 8.13 2f27A1 VAL 121 HA 0.26 0.19 0.75 -0.75 4.13 4.57 2f27A1 VAL 121 HB 0.09 -0.05 0.19 -0.04 2.12 2.31 2f27A1 VAL 121 HG13 0.08 0.02 -0.22 -0.04 0.97 0.81 2f27A1 VAL 121 HG23 0.04 0.00 -0.04 -0.04 0.95 0.91 2f27A1 THR 122 H 0.21 0.04 0.11 -0.55 8.28 8.09 2f27A1 THR 122 HA 0.09 0.23 0.75 -0.75 4.39 4.70 2f27A1 THR 122 HB -0.15 -0.06 0.09 -0.04 4.32 4.16 2f27A1 THR 122 HG23 -0.55 0.06 -0.14 -0.04 1.22 0.54 2f27A1 ARG 123 H 0.10 0.55 0.35 -0.55 8.46 8.91 2f27A1 ARG 123 HA 0.28 0.12 0.92 -0.75 4.34 4.91 2f27A1 ARG 123 HB2 -0.03 0.01 0.12 -0.04 1.90 1.97 2f27A1 ARG 123 HB3 -0.04 -0.09 -0.02 -0.04 1.80 1.61 2f27A1 ARG 123 HG2 0.15 0.08 -0.39 -0.04 1.67 1.47 2f27A1 ARG 123 HG3 -0.02 0.03 -0.06 -0.04 1.67 1.58 2f27A1 ARG 123 HD2 -0.05 -0.01 -0.06 -0.04 3.22 3.06 2f27A1 ARG 123 HD3 -0.05 -0.12 -0.01 -0.04 3.22 3.00 2f27A1 LEU 124 H 0.13 0.07 0.16 -0.55 8.37 8.18 2f27A1 LEU 124 HA 0.00 0.27 0.87 -0.75 4.35 4.73 2f27A1 LEU 124 HB2 0.16 0.06 -0.07 -0.04 1.64 1.75 2f27A1 LEU 124 HB3 -0.12 -0.16 0.02 -0.04 1.64 1.34 2f27A1 LEU 124 HG -0.36 -0.04 -0.26 -0.04 1.64 0.94 2f27A1 LEU 124 HD13 -0.18 0.05 -0.02 -0.04 0.93 0.73 2f27A1 LEU 124 HD23 -1.01 0.00 -0.17 -0.04 0.89 -0.33 2f27A1 CYS 125 H -0.42 0.86 0.42 -0.55 8.50 8.82 2f27A1 CYS 125 HA -0.25 0.14 1.16 -0.75 4.58 4.87 2f27A1 CYS 125 HB2 -1.75 0.07 -0.17 -0.04 2.97 1.08 2f27A1 CYS 125 HB3 -0.42 -0.03 -0.01 -0.04 2.97 2.47 2f27A1 GLN 126 H -0.15 0.34 0.34 -0.55 8.47 8.45 2f27A1 GLN 126 HA -0.02 0.38 0.73 -0.75 4.36 4.69 2f27A1 GLN 126 HB2 -0.15 -0.02 -0.02 -0.04 2.15 1.92 2f27A1 GLN 126 HB3 0.06 0.04 -0.16 -0.04 2.02 1.92 2f27A1 GLN 126 HG2 0.08 -0.00 -0.10 -0.04 2.40 2.33 2f27A1 GLN 126 HG3 0.09 -0.05 -0.15 -0.04 2.39 2.23 2f27A1 GLN 126 HE21 0.40 0.04 -0.13 -0.04 6.97 7.24 2f27A1 GLN 126 HE22 0.18 -0.04 -0.19 -0.04 7.69 7.60 2f27A1 VAL 127 H 0.07 0.52 0.31 -0.55 8.24 8.59 2f27A1 VAL 127 HA 0.15 0.20 0.59 -0.75 4.13 4.32 2f27A1 VAL 127 HB 0.26 -0.00 -0.10 -0.04 2.12 2.23 2f27A1 VAL 127 HG13 0.14 -0.01 -0.45 -0.04 0.97 0.61 2f27A1 VAL 127 HG23 -0.24 0.01 -0.09 -0.04 0.95 0.59 2f27A1 THR 128 H 0.18 0.14 0.18 -0.55 8.28 8.23 2f27A1 THR 128 HA 0.12 0.41 1.18 -0.75 4.39 5.35 2f27A1 THR 128 HB -0.32 -0.01 0.07 -0.04 4.32 4.03 2f27A1 THR 128 HG23 -0.30 0.00 -0.19 -0.04 1.22 0.69 2f27A1 SER 129 H -0.24 0.55 0.39 -0.55 8.46 8.61 2f27A1 SER 129 HA -0.30 0.17 0.93 -0.75 4.49 4.54 2f27A1 SER 129 HB2 -1.57 0.18 -0.14 -0.04 3.95 2.38 2f27A1 SER 129 HB3 -0.96 -0.01 0.07 -0.04 3.93 2.99 2f27A1 THR 130 H -0.23 0.21 0.18 -0.55 8.28 7.89 2f27A1 THR 130 HA -0.21 0.27 0.92 -0.75 4.39 4.62 2f27A1 THR 130 HB -0.13 0.08 0.14 -0.04 4.32 4.36 2f27A1 THR 130 HG23 -0.11 0.01 -0.08 -0.04 1.22 1.00 2f27A1 ASP 131 H -0.31 0.00 -0.01 -0.55 8.40 7.53 2f27A1 ASP 131 HA -0.30 0.35 0.93 -0.75 4.63 4.85 2f27A1 ASP 131 HB2 -0.10 0.08 0.18 -0.04 2.71 2.83 2f27A1 ASP 131 HB3 -0.14 0.06 -0.01 -0.04 2.70 2.57 2f27A1 HIS 132 H -0.49 0.20 -0.34 -0.55 8.41 7.23 2f27A1 HIS 132 HA -0.15 0.08 0.20 -0.75 4.63 4.01 2f27A1 HIS 132 HB2 -0.12 0.19 -0.05 -0.04 3.26 3.24 2f27A1 HIS 132 HB3 -0.14 0.01 0.10 -0.04 3.20 3.12 2f27A1 HIS 132 HD2 -0.08 0.03 -0.21 -0.04 6.97 6.67 2f27A1 HIS 132 HE1 0.03 0.02 -0.04 -0.04 7.75 7.72 2f27A1 GLY 133 H -0.57 -0.04 -0.20 -0.55 8.43 7.08 2f27A1 GLY 133 HA2 -1.24 0.01 0.10 -0.51 4.01 2.36 2f27A1 GLY 133 HA3 -0.03 0.21 0.47 -0.51 4.01 4.14 2f27A1 ARG 134 H -0.22 0.17 -0.45 -0.55 8.46 7.41 2f27A1 ARG 134 HA -0.00 0.13 0.43 -0.75 4.34 4.14 2f27A1 ARG 134 HB2 -0.10 -0.08 0.07 -0.04 1.90 1.75 2f27A1 ARG 134 HB3 -0.04 -0.02 -0.01 -0.04 1.80 1.69 2f27A1 ARG 134 HG2 -0.02 -0.00 -0.05 -0.04 1.67 1.56 2f27A1 ARG 134 HG3 -0.04 0.17 -0.04 -0.04 1.67 1.73 2f27A1 ARG 134 HD2 -0.03 0.00 0.03 -0.04 3.22 3.18 2f27A1 ARG 134 HD3 -0.02 -0.05 -0.01 -0.04 3.22 3.10 2f27A1 THR 135 H -0.30 0.02 -0.05 -0.55 8.28 7.39 2f27A1 THR 135 HA 0.05 0.24 0.78 -0.75 4.39 4.71 2f27A1 THR 135 HB -0.00 0.07 0.01 -0.04 4.32 4.35 2f27A1 THR 135 HG23 -0.01 0.01 -0.18 -0.04 1.22 0.99 2f27A1 TRP 136 H 0.27 0.21 0.10 -0.55 7.97 8.00 2f27A1 TRP 136 HA -0.00 0.24 1.04 -0.75 4.62 5.14 2f27A1 TRP 136 HB2 0.02 -0.05 -0.04 -0.04 3.23 3.11 2f27A1 TRP 136 HB3 0.02 0.03 -0.08 -0.04 3.23 3.16 2f27A1 TRP 136 HD1 0.04 -0.01 -0.25 -0.04 7.22 6.95 2f27A1 TRP 136 HE1 0.09 0.25 -0.19 -0.04 10.20 10.30 2f27A1 TRP 136 HE3 0.00 -0.04 -0.62 -0.04 7.59 6.90 2f27A1 TRP 136 HZ2 0.31 0.07 -0.16 -0.04 7.44 7.62 2f27A1 TRP 136 HZ3 0.02 0.05 -0.44 -0.04 7.13 6.72 2f27A1 TRP 136 HH2 0.25 0.02 -0.29 -0.04 7.19 7.12 2f27A1 SER 137 H 0.20 0.52 0.31 -0.55 8.46 8.95 2f27A1 SER 137 HA 0.08 0.03 0.44 -0.75 4.49 4.29 2f27A1 SER 137 HB2 0.06 -0.03 0.20 -0.04 3.95 4.13 2f27A1 SER 137 HB3 0.04 -0.02 0.14 -0.04 3.93 4.05 2f27A1 SER 138 H 0.06 0.03 0.18 -0.55 8.46 8.19 2f27A1 SER 138 HA 0.07 0.12 0.59 -0.75 4.49 4.52 2f27A1 SER 138 HB2 0.05 -0.05 0.11 -0.04 3.95 4.02 2f27A1 SER 138 HB3 0.05 0.10 0.14 -0.04 3.93 4.17 2f27A1 PRO 139 HA 0.11 0.24 0.61 -0.51 4.44 4.89 2f27A1 PRO 139 HB2 0.09 -0.10 -0.06 -0.04 2.28 2.17 2f27A1 PRO 139 HB3 0.19 0.11 0.17 -0.04 2.02 2.45 2f27A1 PRO 139 HG2 0.04 -0.12 0.14 -0.04 2.03 2.06 2f27A1 PRO 139 HG3 0.07 0.33 0.25 -0.04 2.03 2.64 2f27A1 PRO 139 HD2 0.05 -0.05 0.31 -0.04 3.68 3.95 2f27A1 PRO 139 HD3 0.07 0.31 0.37 -0.04 3.65 4.36 2f27A1 ARG 140 H 0.03 0.54 0.35 -0.55 8.46 8.83 2f27A1 ARG 140 HA 0.02 0.11 0.86 -0.75 4.34 4.58 2f27A1 ARG 140 HB2 0.06 0.06 -0.06 -0.04 1.90 1.92 2f27A1 ARG 140 HB3 0.07 -0.02 0.11 -0.04 1.80 1.92 2f27A1 ARG 140 HG2 0.05 -0.01 -0.32 -0.04 1.67 1.34 2f27A1 ARG 140 HG3 0.05 -0.01 -0.00 -0.04 1.67 1.66 2f27A1 ARG 140 HD2 0.10 -0.02 -0.04 -0.04 3.22 3.22 2f27A1 ARG 140 HD3 0.15 -0.01 -0.08 -0.04 3.22 3.24 2f27A1 ASP 141 H -0.02 0.18 0.10 -0.55 8.40 8.11 2f27A1 ASP 141 HA -0.11 0.17 0.73 -0.75 4.63 4.66 2f27A1 ASP 141 HB2 -0.07 0.05 0.09 -0.04 2.71 2.74 2f27A1 ASP 141 HB3 -0.05 -0.02 0.20 -0.04 2.70 2.79 2f27A1 LEU 142 H -0.13 0.74 0.41 -0.55 8.37 8.85 2f27A1 LEU 142 HA -0.03 0.12 0.58 -0.75 4.35 4.26 2f27A1 LEU 142 HB2 -0.28 0.05 -0.11 -0.04 1.64 1.26 2f27A1 LEU 142 HB3 -0.24 -0.08 0.03 -0.04 1.64 1.31 2f27A1 LEU 142 HG -0.09 0.10 -0.14 -0.04 1.64 1.47 2f27A1 LEU 142 HD13 -0.44 0.00 -0.19 -0.04 0.93 0.26 2f27A1 LEU 142 HD23 0.13 -0.00 -0.17 -0.04 0.89 0.80 2f27A1 THR 143 H -0.09 0.19 -0.10 -0.55 8.28 7.73 2f27A1 THR 143 HA -0.08 0.06 0.34 -0.75 4.39 3.96 2f27A1 THR 143 HB -0.12 -0.04 0.11 -0.04 4.32 4.23 2f27A1 THR 143 HG23 -0.24 0.04 -0.09 -0.04 1.22 0.90 2f27A1 ASP 144 H -0.09 0.15 -0.10 -0.55 8.40 7.81 2f27A1 ASP 144 HA -0.10 0.04 0.40 -0.75 4.63 4.21 2f27A1 ASP 144 HB2 -0.04 -0.01 0.09 -0.04 2.71 2.71 2f27A1 ASP 144 HB3 -0.04 0.05 -0.02 -0.04 2.70 2.65 2f27A1 ALA 145 H -0.01 0.08 -0.18 -0.55 8.40 7.74 2f27A1 ALA 145 HA 0.03 0.08 0.47 -0.75 4.34 4.16 2f27A1 ALA 145 HB3 0.07 -0.01 0.08 -0.04 1.41 1.52 2f27A1 ALA 146 H -0.02 0.72 0.02 -0.55 8.40 8.57 2f27A1 ALA 146 HA 0.16 0.14 0.44 -0.75 4.34 4.34 2f27A1 ALA 146 HB3 -0.20 -0.03 -0.08 -0.04 1.41 1.06 2f27A1 ILE 147 H -0.03 0.57 0.00 -0.55 8.25 8.24 2f27A1 ILE 147 HA 0.01 0.18 0.85 -0.75 4.18 4.46 2f27A1 ILE 147 HB -0.05 0.04 0.08 -0.04 1.89 1.92 2f27A1 ILE 147 HG12 0.31 0.06 -0.22 -0.04 1.49 1.60 2f27A1 ILE 147 HG13 -0.03 -0.10 -0.26 -0.04 1.21 0.78 2f27A1 ILE 147 HG23 -0.56 -0.01 -0.26 -0.04 0.93 0.05 2f27A1 ILE 147 HD13 -0.34 -0.02 -0.14 -0.04 0.88 0.34 2f27A1 GLY 148 H -0.07 0.36 0.14 -0.55 8.43 8.30 2f27A1 GLY 148 HA2 -0.07 -0.03 0.39 -0.51 4.01 3.78 2f27A1 GLY 148 HA3 -0.05 0.14 0.38 -0.51 4.01 3.97 2f27A1 PRO 149 HA -0.06 0.01 0.42 -0.51 4.44 4.30 2f27A1 PRO 149 HB2 -0.06 0.06 0.04 -0.04 2.28 2.29 2f27A1 PRO 149 HB3 -0.04 -0.00 0.11 -0.04 2.02 2.05 2f27A1 PRO 149 HG2 -0.02 0.04 0.09 -0.04 2.03 2.10 2f27A1 PRO 149 HG3 -0.03 -0.01 0.12 -0.04 2.03 2.07 2f27A1 PRO 149 HD2 -0.05 0.24 0.17 -0.04 3.68 4.00 2f27A1 PRO 149 HD3 -0.04 0.10 0.23 -0.04 3.65 3.90 2f27A1 ALA 150 H -0.21 0.55 -0.26 -0.55 8.40 7.93 2f27A1 ALA 150 HA -0.29 0.09 0.55 -0.75 4.34 3.92 2f27A1 ALA 150 HB3 -0.54 0.03 0.02 -0.04 1.41 0.88 2f27A1 TYR 151 H -0.20 0.61 -0.40 -0.55 8.29 7.75 2f27A1 TYR 151 HA -0.55 0.02 0.22 -0.75 4.56 3.50 2f27A1 TYR 151 HB2 -0.22 0.06 0.01 -0.04 3.06 2.88 2f27A1 TYR 151 HB3 -0.14 -0.02 0.01 -0.04 2.98 2.78 2f27A1 TYR 151 HD2 -0.09 -0.03 -0.13 -0.04 7.15 6.86 2f27A1 TYR 151 HE2 0.18 0.16 -0.04 -0.04 6.85 7.11 2f27A1 ARG 152 H -0.06 0.18 -0.23 -0.55 8.46 7.80 2f27A1 ARG 152 HA -0.03 0.12 0.48 -0.75 4.34 4.16 2f27A1 ARG 152 HB2 -0.00 0.02 0.09 -0.04 1.90 1.97 2f27A1 ARG 152 HB3 0.03 -0.06 0.08 -0.04 1.80 1.81 2f27A1 ARG 152 HG2 -0.05 0.09 0.04 -0.04 1.67 1.70 2f27A1 ARG 152 HG3 -0.04 0.04 -0.13 -0.04 1.67 1.49 2f27A1 ARG 152 HD2 0.00 -0.04 0.02 -0.04 3.22 3.15 2f27A1 ARG 152 HD3 -0.02 -0.02 0.04 -0.04 3.22 3.18 2f27A1 GLU 153 H -0.28 0.29 -0.58 -0.55 8.60 7.49 2f27A1 GLU 153 HA 0.01 0.10 0.58 -0.75 4.29 4.23 2f27A1 GLU 153 HB2 -0.30 0.19 0.11 -0.04 2.09 2.05 2f27A1 GLU 153 HB3 0.09 -0.07 0.12 -0.04 1.99 2.09 2f27A1 GLU 153 HG2 -0.01 -0.00 0.01 -0.04 2.34 2.29 2f27A1 GLU 153 HG3 -0.10 -0.02 -0.00 -0.04 2.34 2.18 2f27A1 TRP 154 H -0.06 0.39 -0.32 -0.55 7.97 7.43 2f27A1 TRP 154 HA 0.00 0.23 1.13 -0.75 4.62 5.22 2f27A1 TRP 154 HB2 -0.05 -0.01 -0.08 -0.04 3.23 3.05 2f27A1 TRP 154 HB3 0.09 0.01 -0.03 -0.04 3.23 3.25 2f27A1 TRP 154 HD1 -0.03 0.17 -0.66 -0.04 7.22 6.65 2f27A1 TRP 154 HE1 0.13 -0.03 -0.14 -0.04 10.20 10.12 2f27A1 TRP 154 HE3 -0.17 -0.03 -0.22 -0.04 7.59 7.12 2f27A1 TRP 154 HZ2 -0.41 0.01 -0.13 -0.04 7.44 6.88 2f27A1 TRP 154 HZ3 -0.45 -0.06 -0.20 -0.04 7.13 6.37 2f27A1 TRP 154 HH2 -0.17 0.00 -0.17 -0.04 7.19 6.82 2f27A1 SER 155 H 0.22 0.58 0.23 -0.55 8.46 8.94 2f27A1 SER 155 HA 0.06 0.12 0.23 -0.75 4.49 4.15 2f27A1 SER 155 HB2 0.08 -0.07 0.03 -0.04 3.95 3.95 2f27A1 SER 155 HB3 -0.01 -0.01 -0.14 -0.04 3.93 3.73 2f27A1 THR 156 H 0.25 0.29 0.07 -0.55 8.28 8.34 2f27A1 THR 156 HA 0.18 0.04 0.31 -0.75 4.39 4.18 2f27A1 THR 156 HB -0.00 0.18 -0.15 -0.04 4.32 4.30 2f27A1 THR 156 HG23 0.02 -0.02 -0.25 -0.04 1.22 0.92 2f27A1 PHE 157 H -0.17 0.29 0.19 -0.55 8.34 8.09 2f27A1 PHE 157 HA -0.20 0.13 0.63 -0.75 4.62 4.43 2f27A1 PHE 157 HB2 -0.13 0.18 0.16 -0.04 3.15 3.32 2f27A1 PHE 157 HB3 0.07 0.04 -0.30 -0.04 3.06 2.83 2f27A1 PHE 157 HD2 0.23 0.02 -0.29 -0.04 7.28 7.19 2f27A1 PHE 157 HE2 0.21 0.12 -0.24 -0.04 7.38 7.42 2f27A1 PHE 157 HZ 0.16 -0.17 -0.51 -0.04 7.32 6.76 2f27A1 ALA 158 H -0.28 0.62 0.32 -0.55 8.40 8.51 2f27A1 ALA 158 HA -0.26 0.04 0.46 -0.75 4.34 3.82 2f27A1 ALA 158 HB3 -0.28 0.03 -0.10 -0.04 1.41 1.02 2f27A1 VAL 159 H -0.00 0.18 0.12 -0.55 8.24 7.99 2f27A1 VAL 159 HA -0.02 0.20 1.08 -0.75 4.13 4.64 2f27A1 VAL 159 HB -0.02 0.10 0.01 -0.04 2.12 2.17 2f27A1 VAL 159 HG13 0.06 -0.03 -0.16 -0.04 0.97 0.80 2f27A1 VAL 159 HG23 0.04 -0.01 -0.11 -0.04 0.95 0.83 2f27A1 GLY 160 H -0.00 0.64 0.18 -0.55 8.43 8.70 2f27A1 GLY 160 HA2 0.03 0.19 0.30 -0.51 4.01 4.01 2f27A1 GLY 160 HA3 0.06 -0.03 0.33 -0.51 4.01 3.86 2f27A1 PRO 161 HA 0.10 0.19 0.33 -0.51 4.44 4.56 2f27A1 PRO 161 HB2 0.16 0.14 0.02 -0.04 2.28 2.56 2f27A1 PRO 161 HB3 0.15 -0.11 0.13 -0.04 2.02 2.15 2f27A1 PRO 161 HG2 0.18 0.07 0.02 -0.04 2.03 2.26 2f27A1 PRO 161 HG3 0.40 -0.12 0.11 -0.04 2.03 2.37 2f27A1 PRO 161 HD2 0.08 0.03 0.25 -0.04 3.68 4.00 2f27A1 PRO 161 HD3 0.22 0.00 0.29 -0.04 3.65 4.12 2f27A1 GLY 162 H 0.12 0.51 0.29 -0.55 8.43 8.80 2f27A1 GLY 162 HA2 0.20 -0.11 0.55 -0.51 4.01 4.14 2f27A1 GLY 162 HA3 0.13 0.23 1.07 -0.51 4.01 4.93 2f27A1 HIS 163 H 0.41 0.01 0.34 -0.55 8.41 8.63 2f27A1 HIS 163 HA 0.19 0.13 0.55 -0.75 4.63 4.74 2f27A1 HIS 163 HB2 0.22 -0.05 0.31 -0.04 3.26 3.70 2f27A1 HIS 163 HB3 0.22 0.15 0.38 -0.04 3.20 3.90 2f27A1 HIS 163 HD2 0.18 0.16 0.16 -0.04 6.97 7.44 2f27A1 HIS 163 HE1 0.16 -0.14 0.19 -0.04 7.75 7.93 2f27A1 CYS 164 H 0.26 0.35 0.37 -0.55 8.50 8.92 2f27A1 CYS 164 HA 0.02 0.16 0.92 -0.75 4.58 4.92 2f27A1 CYS 164 HB2 0.24 -0.13 0.12 -0.04 2.97 3.16 2f27A1 CYS 164 HB3 0.12 0.22 0.41 -0.04 2.97 3.68 2f27A1 LEU 165 H 0.13 0.61 0.42 -0.55 8.37 8.98 2f27A1 LEU 165 HA 0.20 0.15 0.99 -0.75 4.35 4.94 2f27A1 LEU 165 HB2 0.14 0.22 -0.18 -0.04 1.64 1.78 2f27A1 LEU 165 HB3 0.10 -0.03 0.00 -0.04 1.64 1.67 2f27A1 LEU 165 HG 0.11 -0.05 -0.44 -0.04 1.64 1.22 2f27A1 LEU 165 HD13 0.16 -0.00 0.07 -0.04 0.93 1.12 2f27A1 LEU 165 HD23 0.11 -0.02 -0.36 -0.04 0.89 0.58 2f27A1 GLN 166 H 0.15 0.26 0.22 -0.55 8.47 8.56 2f27A1 GLN 166 HA 0.08 0.30 1.05 -0.75 4.36 5.04 2f27A1 GLN 166 HB2 0.12 -0.03 0.05 -0.04 2.15 2.25 2f27A1 GLN 166 HB3 0.12 -0.03 0.21 -0.04 2.02 2.28 2f27A1 GLN 166 HG2 0.08 0.08 -0.18 -0.04 2.40 2.33 2f27A1 GLN 166 HG3 0.06 0.22 -0.09 -0.04 2.39 2.54 2f27A1 GLN 166 HE21 0.12 -0.33 0.08 -0.04 6.97 6.81 2f27A1 GLN 166 HE22 0.11 0.41 0.07 -0.04 7.69 8.24 2f27A1 LEU 167 H 0.05 0.59 0.11 -0.55 8.37 8.58 2f27A1 LEU 167 HA 0.06 0.13 0.54 -0.75 4.35 4.33 2f27A1 LEU 167 HB2 0.03 -0.17 0.04 -0.04 1.64 1.50 2f27A1 LEU 167 HB3 0.03 -0.05 0.02 -0.04 1.64 1.61 2f27A1 LEU 167 HG 0.05 0.13 -0.14 -0.04 1.64 1.63 2f27A1 LEU 167 HD13 0.03 0.00 -0.10 -0.04 0.93 0.82 2f27A1 LEU 167 HD23 0.06 0.01 -0.24 -0.04 0.89 0.68 2f27A1 ASN 168 H 0.04 0.16 0.06 -0.55 8.53 8.25 2f27A1 ASN 168 HA 0.04 0.22 0.73 -0.75 4.76 5.00 2f27A1 ASN 168 HB2 0.03 -0.04 0.11 -0.04 2.88 2.95 2f27A1 ASN 168 HB3 0.03 0.04 0.19 -0.04 2.79 3.01 2f27A1 ASN 168 HD21 0.07 0.07 0.01 -0.04 7.03 7.14 2f27A1 ASN 168 HD22 0.06 -0.11 0.05 -0.04 7.74 7.70 2f27A1 ASP 169 H 0.02 -0.01 -0.65 -0.55 8.40 7.21 2f27A1 ASP 169 HA 0.00 0.21 0.59 -0.75 4.63 4.69 2f27A1 ASP 169 HB2 -0.01 -0.04 0.14 -0.04 2.71 2.75 2f27A1 ASP 169 HB3 0.00 0.06 0.02 -0.04 2.70 2.74 2f27A1 ARG 170 H -0.02 0.13 0.13 -0.55 8.46 8.15 2f27A1 ARG 170 HA 0.00 0.15 0.37 -0.75 4.34 4.10 2f27A1 ARG 170 HB2 -0.03 -0.03 0.19 -0.04 1.90 1.99 2f27A1 ARG 170 HB3 -0.03 0.01 0.06 -0.04 1.80 1.80 2f27A1 ARG 170 HG2 -0.02 0.00 0.02 -0.04 1.67 1.64 2f27A1 ARG 170 HG3 -0.01 0.04 0.03 -0.04 1.67 1.69 2f27A1 ARG 170 HD2 -0.00 0.03 0.03 -0.04 3.22 3.24 2f27A1 ARG 170 HD3 -0.01 -0.02 0.05 -0.04 3.22 3.20 2f27A1 ALA 171 H -0.03 0.01 -0.07 -0.55 8.40 7.76 2f27A1 ALA 171 HA -0.01 0.20 0.51 -0.75 4.34 4.28 2f27A1 ALA 171 HB3 -0.05 0.05 0.12 -0.04 1.41 1.48 2f27A1 ARG 172 H 0.00 0.16 -0.70 -0.55 8.46 7.37 2f27A1 ARG 172 HA 0.03 0.28 0.29 -0.75 4.34 4.19 2f27A1 ARG 172 HB2 0.13 0.12 0.06 -0.04 1.90 2.17 2f27A1 ARG 172 HB3 0.10 -0.08 0.17 -0.04 1.80 1.94 2f27A1 ARG 172 HG2 0.06 0.13 -0.27 -0.04 1.67 1.55 2f27A1 ARG 172 HG3 0.11 -0.07 -0.08 -0.04 1.67 1.59 2f27A1 ARG 172 HD2 0.04 0.08 0.05 -0.04 3.22 3.36 2f27A1 ARG 172 HD3 0.05 -0.01 -0.02 -0.04 3.22 3.20 2f27A1 SER 173 H -0.00 -0.13 -0.15 -0.55 8.46 7.63 2f27A1 SER 173 HA -0.14 0.13 0.46 -0.75 4.49 4.18 2f27A1 SER 173 HB2 0.04 -0.10 0.01 -0.04 3.95 3.86 2f27A1 SER 173 HB3 -0.03 0.13 -0.00 -0.04 3.93 3.99 2f27A1 LEU 174 H -0.24 0.44 0.40 -0.55 8.37 8.43 2f27A1 LEU 174 HA 0.03 0.21 0.92 -0.75 4.35 4.76 2f27A1 LEU 174 HB2 -0.27 -0.10 0.11 -0.04 1.64 1.34 2f27A1 LEU 174 HB3 0.10 0.07 -0.00 -0.04 1.64 1.77 2f27A1 LEU 174 HG -0.20 -0.09 0.04 -0.04 1.64 1.35 2f27A1 LEU 174 HD13 -0.32 -0.01 -0.20 -0.04 0.93 0.36 2f27A1 LEU 174 HD23 0.06 0.03 -0.09 -0.04 0.89 0.85 2f27A1 VAL 175 H 0.10 0.85 0.40 -0.55 8.24 9.04 2f27A1 VAL 175 HA 0.11 0.30 1.04 -0.75 4.13 4.83 2f27A1 VAL 175 HB 0.08 -0.04 0.05 -0.04 2.12 2.17 2f27A1 VAL 175 HG13 0.07 0.00 -0.21 -0.04 0.97 0.79 2f27A1 VAL 175 HG23 0.05 -0.01 -0.33 -0.04 0.95 0.62 2f27A1 VAL 176 H 0.08 0.62 0.23 -0.55 8.24 8.62 2f27A1 VAL 176 HA -0.05 0.21 1.04 -0.75 4.13 4.58 2f27A1 VAL 176 HB -0.24 -0.10 0.16 -0.04 2.12 1.90 2f27A1 VAL 176 HG13 -0.31 0.05 -0.06 -0.04 0.97 0.61 2f27A1 VAL 176 HG23 -0.70 -0.01 -0.21 -0.04 0.95 -0.01 2f27A1 PRO 177 HA -0.15 0.11 0.58 -0.51 4.44 4.46 2f27A1 PRO 177 HB2 -0.07 0.23 -0.07 -0.04 2.28 2.33 2f27A1 PRO 177 HB3 -0.05 -0.12 0.02 -0.04 2.02 1.83 2f27A1 PRO 177 HG2 -0.04 -0.02 0.22 -0.04 2.03 2.14 2f27A1 PRO 177 HG3 -0.06 0.11 0.26 -0.04 2.03 2.30 2f27A1 PRO 177 HD2 -0.03 0.09 0.32 -0.04 3.68 4.02 2f27A1 PRO 177 HD3 -0.01 0.11 0.23 -0.04 3.65 3.94 2f27A1 ALA 178 H -0.35 0.57 0.48 -0.55 8.40 8.56 2f27A1 ALA 178 HA -0.11 0.05 0.66 -0.75 4.34 4.19 2f27A1 ALA 178 HB3 -0.63 0.03 0.00 -0.04 1.41 0.76 2f27A1 TYR 179 H -0.28 0.54 0.34 -0.55 8.29 8.33 2f27A1 TYR 179 HA 0.07 0.23 0.73 -0.75 4.56 4.84 2f27A1 TYR 179 HB2 -0.10 0.12 -0.14 -0.04 3.06 2.89 2f27A1 TYR 179 HB3 -0.09 0.17 -0.34 -0.04 2.98 2.67 2f27A1 TYR 179 HD2 -0.15 0.05 -0.35 -0.04 7.15 6.66 2f27A1 TYR 179 HE2 0.08 0.05 -0.19 -0.04 6.85 6.75 2f27A1 ALA 180 H 0.08 0.60 0.35 -0.55 8.40 8.89 2f27A1 ALA 180 HA -0.15 0.11 0.92 -0.75 4.34 4.48 2f27A1 ALA 180 HB3 -1.12 0.02 -0.10 -0.04 1.41 0.17 2f27A1 TYR 181 H 0.18 0.51 0.20 -0.55 8.29 8.63 2f27A1 TYR 181 HA -0.05 0.11 0.32 -0.75 4.56 4.19 2f27A1 TYR 181 HB2 0.04 -0.14 0.16 -0.04 3.06 3.07 2f27A1 TYR 181 HB3 0.01 0.08 -0.12 -0.04 2.98 2.91 2f27A1 TYR 181 HD2 0.03 0.13 -0.19 -0.04 7.15 7.09 2f27A1 TYR 181 HE2 0.12 -0.00 -0.11 -0.04 6.85 6.81 2f27A1 ARG 182 H -0.13 0.62 0.15 -0.55 8.46 8.55 2f27A1 ARG 182 HA 0.13 0.27 1.01 -0.75 4.34 4.99 2f27A1 ARG 182 HB2 -0.09 -0.01 -0.11 -0.04 1.90 1.65 2f27A1 ARG 182 HB3 -0.22 -0.00 -0.02 -0.04 1.80 1.52 2f27A1 ARG 182 HG2 -0.31 0.30 0.32 -0.04 1.67 1.93 2f27A1 ARG 182 HG3 -0.25 -0.11 0.08 -0.04 1.67 1.36 2f27A1 ARG 182 HD2 -1.55 -0.02 -0.02 -0.04 3.22 1.59 2f27A1 ARG 182 HD3 -0.85 0.01 0.02 -0.04 3.22 2.36 2f27A1 LYS 183 H 0.13 0.71 0.27 -0.55 8.42 8.98 2f27A1 LYS 183 HA 0.06 0.02 0.57 -0.75 4.32 4.21 2f27A1 LYS 183 HB2 0.06 0.02 0.22 -0.04 1.87 2.13 2f27A1 LYS 183 HB3 0.05 0.00 0.03 -0.04 1.79 1.82 2f27A1 LYS 183 HG2 0.06 -0.02 -0.05 -0.04 1.46 1.41 2f27A1 LYS 183 HG3 0.11 -0.03 -0.16 -0.04 1.46 1.35 2f27A1 LYS 183 HD2 0.04 0.08 0.03 -0.04 1.69 1.80 2f27A1 LYS 183 HD3 0.04 -0.06 0.01 -0.04 1.68 1.63 2f27A1 LYS 183 HE2 0.04 0.03 -0.06 -0.04 2.99 2.95 2f27A1 LYS 183 HE3 0.07 -0.11 -0.60 -0.04 2.99 2.30 2f27A1 LEU 184 H 0.04 0.16 0.22 -0.55 8.37 8.24 2f27A1 LEU 184 HA 0.02 0.21 0.87 -0.75 4.35 4.69 2f27A1 LEU 184 HB2 0.03 -0.02 0.07 -0.04 1.64 1.68 2f27A1 LEU 184 HB3 0.02 -0.05 0.01 -0.04 1.64 1.58 2f27A1 LEU 184 HG -0.04 0.11 -0.23 -0.04 1.64 1.44 2f27A1 LEU 184 HD13 -0.06 -0.01 -0.01 -0.04 0.93 0.81 2f27A1 LEU 184 HD23 -0.04 0.02 -0.12 -0.04 0.89 0.71 2f27A1 HIS 185 H 0.12 0.17 0.08 -0.55 8.41 8.23 2f27A1 HIS 185 HA 0.00 0.22 0.90 -0.75 4.63 5.00 2f27A1 HIS 185 HB2 -0.00 0.03 -0.05 -0.04 3.26 3.19 2f27A1 HIS 185 HB3 0.00 0.09 0.05 -0.04 3.20 3.29 2f27A1 HIS 185 HD2 -0.00 0.05 0.02 -0.04 6.97 7.00 2f27A1 HIS 185 HE1 0.00 0.06 0.04 -0.04 7.75 7.81 2f27A1 PRO 186 HA 0.02 0.16 0.42 -0.51 4.44 4.53 2f27A1 PRO 186 HB2 -0.05 -0.03 0.00 -0.04 2.28 2.17 2f27A1 PRO 186 HB3 -0.03 0.04 0.08 -0.04 2.02 2.07 2f27A1 PRO 186 HG2 -0.19 0.00 0.07 -0.04 2.03 1.88 2f27A1 PRO 186 HG3 -0.11 0.09 0.03 -0.04 2.03 2.00 2f27A1 PRO 186 HD2 -1.09 0.01 0.21 -0.04 3.68 2.77 2f27A1 PRO 186 HD3 -0.41 0.22 0.25 -0.04 3.65 3.68 2f27A1 ILE 187 H 0.89 -0.10 -0.20 -0.55 8.25 8.29 2f27A1 ILE 187 HA 0.09 0.27 0.93 -0.75 4.18 4.72 2f27A1 ILE 187 HB 0.19 -0.09 0.05 -0.04 1.89 2.00 2f27A1 ILE 187 HG12 0.08 0.09 -0.13 -0.04 1.49 1.49 2f27A1 ILE 187 HG13 0.15 -0.09 -0.20 -0.04 1.21 1.03 2f27A1 ILE 187 HG23 0.02 -0.00 -0.12 -0.04 0.93 0.79 2f27A1 ILE 187 HD13 0.11 -0.01 -0.03 -0.04 0.88 0.91 2f27A1 GLN 188 H -0.11 -0.11 -0.00 -0.55 8.47 7.70 2f27A1 GLN 188 HA -0.11 0.00 0.38 -0.75 4.36 3.88 2f27A1 GLN 188 HB2 -0.11 -0.05 0.01 -0.04 2.15 1.96 2f27A1 GLN 188 HB3 -0.13 0.11 0.02 -0.04 2.02 1.98 2f27A1 GLN 188 HG2 -1.32 -0.11 0.08 -0.04 2.40 1.00 2f27A1 GLN 188 HG3 -0.58 0.02 0.03 -0.04 2.39 1.82 2f27A1 GLN 188 HE21 -0.11 -0.00 0.01 -0.04 6.97 6.82 2f27A1 GLN 188 HE22 -0.16 0.01 0.01 -0.04 7.69 7.50 2f27A1 ARG 189 H -0.03 0.01 0.14 -0.55 8.46 8.02 2f27A1 ARG 189 HA 0.01 0.18 0.42 -0.75 4.34 4.20 2f27A1 ARG 189 HB2 0.00 0.08 0.03 -0.04 1.90 1.97 2f27A1 ARG 189 HB3 -0.01 -0.04 0.12 -0.04 1.80 1.82 2f27A1 ARG 189 HG2 -0.02 -0.10 0.09 -0.04 1.67 1.60 2f27A1 ARG 189 HG3 -0.00 0.02 -0.07 -0.04 1.67 1.57 2f27A1 ARG 189 HD2 0.00 0.08 -0.06 -0.04 3.22 3.20 2f27A1 ARG 189 HD3 -0.02 -0.04 0.00 -0.04 3.22 3.12 2f27A1 PRO 190 HA 0.05 0.00 0.54 -0.51 4.44 4.52 2f27A1 PRO 190 HB2 0.12 -0.10 -0.08 -0.04 2.28 2.19 2f27A1 PRO 190 HB3 0.09 0.06 -0.53 -0.04 2.02 1.61 2f27A1 PRO 190 HG2 0.05 0.06 0.02 -0.04 2.03 2.12 2f27A1 PRO 190 HG3 0.05 0.03 0.06 -0.04 2.03 2.13 2f27A1 PRO 190 HD2 0.02 0.06 0.19 -0.04 3.68 3.91 2f27A1 PRO 190 HD3 0.03 0.26 0.21 -0.04 3.65 4.11 2f27A1 ILE 191 H 0.00 0.21 0.29 -0.55 8.25 8.20 2f27A1 ILE 191 HA 0.01 0.18 0.87 -0.75 4.18 4.48 2f27A1 ILE 191 HB -0.05 -0.05 0.15 -0.04 1.89 1.90 2f27A1 ILE 191 HG12 -0.02 -0.00 -0.01 -0.04 1.49 1.41 2f27A1 ILE 191 HG13 -0.01 0.16 -0.06 -0.04 1.21 1.26 2f27A1 ILE 191 HG23 -0.07 0.01 -0.10 -0.04 0.93 0.73 2f27A1 ILE 191 HD13 -0.02 -0.03 -0.01 -0.04 0.88 0.79 2f27A1 PRO 192 HA -0.34 0.37 0.79 -0.51 4.44 4.75 2f27A1 PRO 192 HB2 -0.46 0.17 -0.11 -0.04 2.28 1.84 2f27A1 PRO 192 HB3 -1.70 -0.09 -0.10 -0.04 2.02 0.09 2f27A1 PRO 192 HG2 -0.25 -0.00 -0.09 -0.04 2.03 1.65 2f27A1 PRO 192 HG3 -0.37 -0.02 -0.08 -0.04 2.03 1.52 2f27A1 PRO 192 HD2 -0.12 0.04 0.22 -0.04 3.68 3.78 2f27A1 PRO 192 HD3 -0.06 0.19 0.17 -0.04 3.65 3.91 2f27A1 SER 193 H -0.14 0.39 0.46 -0.55 8.46 8.62 2f27A1 SER 193 HA -0.05 0.01 1.00 -0.75 4.49 4.70 2f27A1 SER 193 HB2 -0.30 -0.08 0.13 -0.04 3.95 3.65 2f27A1 SER 193 HB3 0.13 0.04 0.20 -0.04 3.93 4.26 2f27A1 ALA 194 H 0.03 0.07 0.21 -0.55 8.40 8.16 2f27A1 ALA 194 HA 0.11 0.25 0.90 -0.75 4.34 4.85 2f27A1 ALA 194 HB3 -0.09 0.01 0.04 -0.04 1.41 1.32 2f27A1 PHE 195 H -0.21 0.78 0.36 -0.55 8.34 8.72 2f27A1 PHE 195 HA -0.09 0.08 0.32 -0.75 4.62 4.18 2f27A1 PHE 195 HB2 -0.42 0.11 -0.22 -0.04 3.15 2.58 2f27A1 PHE 195 HB3 -0.46 0.06 -0.38 -0.04 3.06 2.23 2f27A1 PHE 195 HD2 -0.33 0.09 -0.31 -0.04 7.28 6.68 2f27A1 PHE 195 HE2 -1.15 -0.03 -0.37 -0.04 7.38 5.79 2f27A1 PHE 195 HZ -0.62 -0.03 -0.23 -0.04 7.32 6.40 2f27A1 CYS 196 H 0.11 0.27 0.06 -0.55 8.50 8.40 2f27A1 CYS 196 HA -0.33 0.32 1.07 -0.75 4.58 4.88 2f27A1 CYS 196 HB2 0.09 0.04 -0.05 -0.04 2.97 3.00 2f27A1 CYS 196 HB3 0.03 0.04 -0.14 -0.04 2.97 2.86 2f27A1 PHE 197 H -0.04 0.64 0.30 -0.55 8.34 8.69 2f27A1 PHE 197 HA 0.15 0.20 0.87 -0.75 4.62 5.09 2f27A1 PHE 197 HB2 -0.30 -0.02 0.16 -0.04 3.15 2.94 2f27A1 PHE 197 HB3 -0.09 -0.02 0.02 -0.04 3.06 2.93 2f27A1 PHE 197 HD2 -0.10 0.10 -0.10 -0.04 7.28 7.14 2f27A1 PHE 197 HE2 0.08 0.06 -0.25 -0.04 7.38 7.24 2f27A1 PHE 197 HZ 0.25 -0.02 -0.21 -0.04 7.32 7.30 2f27A1 LEU 198 H 0.33 0.73 0.37 -0.55 8.37 9.25 2f27A1 LEU 198 HA 0.12 0.37 1.12 -0.75 4.35 5.20 2f27A1 LEU 198 HB2 -0.06 -0.05 -0.08 -0.04 1.64 1.40 2f27A1 LEU 198 HB3 -0.24 -0.06 -0.06 -0.04 1.64 1.24 2f27A1 LEU 198 HG 0.02 -0.03 -0.21 -0.04 1.64 1.38 2f27A1 LEU 198 HD13 0.05 0.05 -0.23 -0.04 0.93 0.76 2f27A1 LEU 198 HD23 0.03 -0.01 -0.38 -0.04 0.89 0.50 2f27A1 SER 199 H -0.41 0.55 0.29 -0.55 8.46 8.35 2f27A1 SER 199 HA -0.75 0.23 0.87 -0.75 4.49 4.08 2f27A1 SER 199 HB2 -3.02 0.18 -0.08 -0.04 3.95 0.98 2f27A1 SER 199 HB3 -1.20 -0.02 0.14 -0.04 3.93 2.80 2f27A1 HIS 200 H -0.42 0.24 0.12 -0.55 8.41 7.81 2f27A1 HIS 200 HA -0.22 0.16 0.84 -0.75 4.63 4.66 2f27A1 HIS 200 HB2 -0.13 0.05 0.00 -0.04 3.26 3.14 2f27A1 HIS 200 HB3 -0.12 -0.01 0.12 -0.04 3.20 3.15 2f27A1 HIS 200 HD2 -0.08 0.05 -0.10 -0.04 6.97 6.79 2f27A1 HIS 200 HE1 -0.06 0.09 -0.11 -0.04 7.75 7.62 2f27A1 ASP 201 H -0.32 0.01 -0.06 -0.55 8.40 7.48 2f27A1 ASP 201 HA -0.15 0.35 0.91 -0.75 4.63 4.99 2f27A1 ASP 201 HB2 -0.02 0.08 0.18 -0.04 2.71 2.90 2f27A1 ASP 201 HB3 -0.06 0.08 -0.04 -0.04 2.70 2.64 2f27A1 HIS 202 H -0.52 0.25 -0.28 -0.55 8.41 7.31 2f27A1 HIS 202 HA -0.07 0.08 0.27 -0.75 4.63 4.15 2f27A1 HIS 202 HB2 0.03 0.13 -0.13 -0.04 3.26 3.24 2f27A1 HIS 202 HB3 0.09 -0.03 0.14 -0.04 3.20 3.36 2f27A1 HIS 202 HD2 -0.01 -0.02 -0.18 -0.04 6.97 6.72 2f27A1 HIS 202 HE1 0.00 0.01 0.00 -0.04 7.75 7.72 2f27A1 GLY 203 H -0.46 -0.05 -0.26 -0.55 8.43 7.12 2f27A1 GLY 203 HA2 -0.49 0.03 0.14 -0.51 4.01 3.18 2f27A1 GLY 203 HA3 0.20 0.15 0.42 -0.51 4.01 4.27 2f27A1 ARG 204 H -0.10 0.27 -0.33 -0.55 8.46 7.76 2f27A1 ARG 204 HA 0.09 0.10 0.45 -0.75 4.34 4.23 2f27A1 ARG 204 HB2 0.00 0.23 0.13 -0.04 1.90 2.22 2f27A1 ARG 204 HB3 -0.02 -0.06 0.00 -0.04 1.80 1.68 2f27A1 ARG 204 HG2 0.04 -0.03 -0.00 -0.04 1.67 1.63 2f27A1 ARG 204 HG3 0.06 0.02 0.01 -0.04 1.67 1.72 2f27A1 ARG 204 HD2 0.02 -0.04 -0.00 -0.04 3.22 3.16 2f27A1 ARG 204 HD3 0.04 -0.02 -0.01 -0.04 3.22 3.18 2f27A1 THR 205 H -0.25 -0.02 -0.00 -0.55 8.28 7.46 2f27A1 THR 205 HA 0.03 0.25 0.85 -0.75 4.39 4.77 2f27A1 THR 205 HB -0.01 0.11 0.03 -0.04 4.32 4.41 2f27A1 THR 205 HG23 -0.01 0.00 -0.17 -0.04 1.22 1.01 2f27A1 TRP 206 H 0.18 0.25 0.09 -0.55 7.97 7.94 2f27A1 TRP 206 HA -0.05 0.28 1.08 -0.75 4.62 5.18 2f27A1 TRP 206 HB2 -0.03 -0.04 -0.08 -0.04 3.23 3.04 2f27A1 TRP 206 HB3 0.01 0.08 0.01 -0.04 3.23 3.28 2f27A1 TRP 206 HD1 0.00 0.01 -0.34 -0.04 7.22 6.85 2f27A1 TRP 206 HE1 0.11 0.15 -0.19 -0.04 10.20 10.23 2f27A1 TRP 206 HE3 -0.05 0.08 -0.29 -0.04 7.59 7.29 2f27A1 TRP 206 HZ2 0.04 0.00 -0.14 -0.04 7.44 7.30 2f27A1 TRP 206 HZ3 -0.18 0.12 -0.44 -0.04 7.13 6.58 2f27A1 TRP 206 HH2 -0.28 -0.02 -0.22 -0.04 7.19 6.62 2f27A1 ALA 207 H 0.29 0.53 0.41 -0.55 8.40 9.08 2f27A1 ALA 207 HA 0.15 0.22 0.79 -0.75 4.34 4.74 2f27A1 ALA 207 HB3 0.05 -0.01 -0.03 -0.04 1.41 1.37 2f27A1 ARG 208 H 0.07 0.17 0.19 -0.55 8.46 8.34 2f27A1 ARG 208 HA 0.08 0.14 1.10 -0.75 4.34 4.90 2f27A1 ARG 208 HB2 -0.01 -0.07 0.15 -0.04 1.90 1.92 2f27A1 ARG 208 HB3 -0.22 0.16 -0.01 -0.04 1.80 1.69 2f27A1 ARG 208 HG2 0.08 -0.03 -0.06 -0.04 1.67 1.62 2f27A1 ARG 208 HG3 0.29 -0.03 -0.12 -0.04 1.67 1.77 2f27A1 ARG 208 HD2 0.16 0.06 0.22 -0.04 3.22 3.63 2f27A1 ARG 208 HD3 0.14 -0.06 0.07 -0.04 3.22 3.33 2f27A1 GLY 209 H 0.01 0.73 0.36 -0.55 8.43 8.99 2f27A1 GLY 209 HA2 -0.25 -0.03 0.65 -0.51 4.01 3.87 2f27A1 GLY 209 HA3 -0.05 0.11 0.41 -0.51 4.01 3.98 2f27A1 HIS 210 H -0.23 0.88 0.40 -0.55 8.41 8.92 2f27A1 HIS 210 HA -0.19 0.09 0.61 -0.75 4.63 4.39 2f27A1 HIS 210 HB2 0.04 -0.04 0.20 -0.04 3.26 3.42 2f27A1 HIS 210 HB3 0.06 -0.04 0.13 -0.04 3.20 3.31 2f27A1 HIS 210 HD2 -0.03 0.05 -0.08 -0.04 6.97 6.87 2f27A1 HIS 210 HE1 0.01 -0.06 -0.02 -0.04 7.75 7.63 2f27A1 PHE 211 H 0.20 0.05 0.12 -0.55 8.34 8.16 2f27A1 PHE 211 HA 0.12 0.26 0.56 -0.75 4.62 4.81 2f27A1 PHE 211 HB2 0.02 -0.10 0.03 -0.04 3.15 3.06 2f27A1 PHE 211 HB3 0.00 0.14 -0.03 -0.04 3.06 3.13 2f27A1 PHE 211 HD2 -0.01 0.03 -0.13 -0.04 7.28 7.13 2f27A1 PHE 211 HE2 -0.26 -0.02 -0.08 -0.04 7.38 6.98 2f27A1 PHE 211 HZ -0.52 -0.02 -0.13 -0.04 7.32 6.61 2f27A1 VAL 212 H 0.18 0.61 0.26 -0.55 8.24 8.74 2f27A1 VAL 212 HA 0.12 0.02 0.50 -0.75 4.13 4.02 2f27A1 VAL 212 HB -0.03 -0.04 0.16 -0.04 2.12 2.18 2f27A1 VAL 212 HG13 -0.06 -0.01 -0.21 -0.04 0.97 0.65 2f27A1 VAL 212 HG23 -0.37 0.03 -0.11 -0.04 0.95 0.46 2f27A1 ALA 213 H 0.08 0.17 0.07 -0.55 8.40 8.18 2f27A1 ALA 213 HA 0.05 0.10 0.35 -0.75 4.34 4.08 2f27A1 ALA 213 HB3 0.04 -0.00 0.13 -0.04 1.41 1.54 2f27A1 GLN 214 H 0.01 0.92 -0.13 -0.55 8.47 8.73 2f27A1 GLN 214 HA -0.01 0.09 0.64 -0.75 4.36 4.33 2f27A1 GLN 214 HB2 -0.02 -0.06 -0.52 -0.04 2.15 1.51 2f27A1 GLN 214 HB3 -0.04 -0.00 -0.28 -0.04 2.02 1.65 2f27A1 GLN 214 HG2 -0.05 -0.01 -0.20 -0.04 2.40 2.09 2f27A1 GLN 214 HG3 -0.03 -0.07 -0.03 -0.04 2.39 2.22 2f27A1 GLN 214 HE21 -0.03 -0.01 -0.01 -0.04 6.97 6.88 2f27A1 GLN 214 HE22 -0.03 -0.04 0.02 -0.04 7.69 7.60 2f27A1 ASP 215 H -0.01 0.10 0.07 -0.55 8.40 8.01 2f27A1 ASP 215 HA -0.05 0.37 0.69 -0.75 4.63 4.88 2f27A1 ASP 215 HB2 0.03 -0.02 0.12 -0.04 2.71 2.80 2f27A1 ASP 215 HB3 0.10 -0.09 0.23 -0.04 2.70 2.91 2f27A1 THR 216 H -0.08 0.52 0.31 -0.55 8.28 8.48 2f27A1 THR 216 HA -0.09 0.20 0.99 -0.75 4.39 4.73 2f27A1 THR 216 HB -0.11 0.11 -0.10 -0.04 4.32 4.17 2f27A1 THR 216 HG23 -0.08 -0.03 -0.40 -0.04 1.22 0.67 2f27A1 LEU 217 H -0.19 0.68 0.08 -0.55 8.37 8.39 2f27A1 LEU 217 HA -0.68 0.12 0.63 -0.75 4.35 3.67 2f27A1 LEU 217 HB2 -0.28 0.05 0.01 -0.04 1.64 1.38 2f27A1 LEU 217 HB3 -0.63 -0.12 0.10 -0.04 1.64 0.95 2f27A1 LEU 217 HG -0.21 -0.03 -0.35 -0.04 1.64 1.01 2f27A1 LEU 217 HD13 -0.08 0.00 -0.14 -0.04 0.93 0.67 2f27A1 LEU 217 HD23 -0.29 0.00 -0.15 -0.04 0.89 0.41 2f27A1 GLU 218 H -0.54 0.04 0.07 -0.55 8.60 7.62 2f27A1 GLU 218 HA -0.04 0.12 0.33 -0.75 4.29 3.95 2f27A1 GLU 218 HB2 -0.16 -0.15 0.14 -0.04 2.09 1.88 2f27A1 GLU 218 HB3 -0.04 0.21 0.07 -0.04 1.99 2.18 2f27A1 GLU 218 HG2 0.21 0.22 0.13 -0.04 2.34 2.86 2f27A1 GLU 218 HG3 -0.31 -0.13 0.06 -0.04 2.34 1.93 2f27A1 CYS 219 H -0.00 0.30 0.21 -0.55 8.50 8.46 2f27A1 CYS 219 HA -0.06 0.25 1.01 -0.75 4.58 5.03 2f27A1 CYS 219 HB2 -0.10 -0.02 -0.09 -0.04 2.97 2.72 2f27A1 CYS 219 HB3 -0.10 0.03 -0.21 -0.04 2.97 2.65 2f27A1 GLN 220 H -0.03 0.48 0.40 -0.55 8.47 8.78 2f27A1 GLN 220 HA -0.05 0.15 0.87 -0.75 4.36 4.57 2f27A1 GLN 220 HB2 0.03 0.01 0.16 -0.04 2.15 2.32 2f27A1 GLN 220 HB3 0.03 0.03 0.16 -0.04 2.02 2.20 2f27A1 GLN 220 HG2 -0.21 0.15 0.28 -0.04 2.40 2.58 2f27A1 GLN 220 HG3 -0.04 0.17 0.11 -0.04 2.39 2.60 2f27A1 GLN 220 HE21 0.17 -0.17 0.29 -0.04 6.97 7.22 2f27A1 GLN 220 HE22 0.04 0.40 0.38 -0.04 7.69 8.48 2f27A1 VAL 221 H -0.01 0.25 0.25 -0.55 8.24 8.19 2f27A1 VAL 221 HA 0.08 0.37 1.22 -0.75 4.13 5.04 2f27A1 VAL 221 HB 0.12 -0.03 -0.06 -0.04 2.12 2.10 2f27A1 VAL 221 HG13 0.08 -0.02 -0.25 -0.04 0.97 0.74 2f27A1 VAL 221 HG23 0.06 -0.01 -0.09 -0.04 0.95 0.86 2f27A1 ALA 222 H 0.13 0.56 0.34 -0.55 8.40 8.89 2f27A1 ALA 222 HA 0.17 0.11 0.70 -0.75 4.34 4.57 2f27A1 ALA 222 HB3 0.18 0.03 -0.15 -0.04 1.41 1.43 2f27A1 GLU 223 H 0.13 0.19 0.19 -0.55 8.60 8.56 2f27A1 GLU 223 HA 0.08 0.38 1.21 -0.75 4.29 5.21 2f27A1 GLU 223 HB2 0.08 -0.05 -0.09 -0.04 2.09 1.99 2f27A1 GLU 223 HB3 0.08 -0.00 0.09 -0.04 1.99 2.11 2f27A1 GLU 223 HG2 0.05 0.03 -0.29 -0.04 2.34 2.09 2f27A1 GLU 223 HG3 0.05 0.07 -0.13 -0.04 2.34 2.29 2f27A1 VAL 224 H 0.05 0.71 0.35 -0.55 8.24 8.80 2f27A1 VAL 224 HA 0.03 0.09 0.87 -0.75 4.13 4.38 2f27A1 VAL 224 HB 0.01 0.09 -0.02 -0.04 2.12 2.16 2f27A1 VAL 224 HG13 0.04 -0.02 -0.36 -0.04 0.97 0.59 2f27A1 VAL 224 HG23 0.02 0.03 -0.14 -0.04 0.95 0.82 2f27A1 GLU 225 H 0.01 0.06 0.09 -0.55 8.60 8.22 2f27A1 GLU 225 HA 0.01 0.41 0.82 -0.75 4.29 4.78 2f27A1 GLU 225 HB2 0.01 -0.04 -0.04 -0.04 2.09 1.98 2f27A1 GLU 225 HB3 0.00 0.00 0.12 -0.04 1.99 2.07 2f27A1 GLU 225 HG2 0.01 -0.05 -0.09 -0.04 2.34 2.17 2f27A1 GLU 225 HG3 0.01 -0.01 0.00 -0.04 2.34 2.30 2f27A1 GLN 229 HA -0.00 -0.01 0.20 -0.75 4.36 3.80 2f27A1 GLN 229 HB2 -0.00 -0.10 0.22 -0.04 2.15 2.22 2f27A1 GLN 229 HB3 -0.00 -0.02 0.10 -0.04 2.02 2.06 2f27A1 GLN 229 HG2 -0.01 0.01 0.08 -0.04 2.40 2.44 2f27A1 GLN 229 HG3 -0.00 -0.02 0.06 -0.04 2.39 2.39 2f27A1 GLN 229 HE21 -0.00 0.01 0.01 -0.04 6.97 6.95 2f27A1 GLN 229 HE22 -0.00 -0.02 0.02 -0.04 7.69 7.65 2f27A1 ARG 230 H -0.00 0.07 0.13 -0.55 8.46 8.11 2f27A1 ARG 230 HA 0.01 0.19 0.68 -0.75 4.34 4.47 2f27A1 ARG 230 HB2 0.00 -0.03 0.10 -0.04 1.90 1.94 2f27A1 ARG 230 HB3 0.00 -0.07 0.08 -0.04 1.80 1.78 2f27A1 ARG 230 HG2 0.02 -0.07 -0.16 -0.04 1.67 1.42 2f27A1 ARG 230 HG3 0.02 0.06 -0.10 -0.04 1.67 1.61 2f27A1 ARG 230 HD2 0.02 -0.13 -0.15 -0.04 3.22 2.91 2f27A1 ARG 230 HD3 0.01 0.06 -0.07 -0.04 3.22 3.18 2f27A1 VAL 231 H 0.02 0.85 0.34 -0.55 8.24 8.90 2f27A1 VAL 231 HA 0.00 0.23 1.13 -0.75 4.13 4.73 2f27A1 VAL 231 HB 0.02 0.04 0.01 -0.04 2.12 2.15 2f27A1 VAL 231 HG13 0.04 -0.03 -0.26 -0.04 0.97 0.68 2f27A1 VAL 231 HG23 0.00 0.04 -0.35 -0.04 0.95 0.61 2f27A1 VAL 232 H 0.01 0.57 0.34 -0.55 8.24 8.61 2f27A1 VAL 232 HA 0.09 0.30 1.02 -0.75 4.13 4.78 2f27A1 VAL 232 HB -0.00 -0.15 0.18 -0.04 2.12 2.11 2f27A1 VAL 232 HG13 0.19 0.03 -0.24 -0.04 0.97 0.91 2f27A1 VAL 232 HG23 0.02 -0.01 -0.20 -0.04 0.95 0.73 2f27A1 THR 233 H 0.12 0.61 0.29 -0.55 8.28 8.75 2f27A1 THR 233 HA 0.16 0.22 1.02 -0.75 4.39 5.03 2f27A1 THR 233 HB 0.08 -0.04 -0.06 -0.04 4.32 4.26 2f27A1 THR 233 HG23 0.12 0.01 -0.07 -0.04 1.22 1.24 2f27A1 LEU 234 H 0.08 0.83 0.41 -0.55 8.37 9.15 2f27A1 LEU 234 HA -0.00 0.28 1.00 -0.75 4.35 4.88 2f27A1 LEU 234 HB2 -0.25 -0.05 -0.14 -0.04 1.64 1.16 2f27A1 LEU 234 HB3 -0.40 -0.08 0.10 -0.04 1.64 1.22 2f27A1 LEU 234 HG -0.18 0.08 -0.14 -0.04 1.64 1.36 2f27A1 LEU 234 HD13 -0.67 -0.01 -0.22 -0.04 0.93 -0.01 2f27A1 LEU 234 HD23 -0.25 -0.00 -0.35 -0.04 0.89 0.25 2f27A1 ASN 235 H -0.03 0.66 0.33 -0.55 8.53 8.94 2f27A1 ASN 235 HA -0.11 0.23 1.04 -0.75 4.76 5.16 2f27A1 ASN 235 HB2 -0.02 -0.05 -0.11 -0.04 2.88 2.66 2f27A1 ASN 235 HB3 -0.00 -0.02 0.10 -0.04 2.79 2.83 2f27A1 ASN 235 HD21 -1.08 0.01 -0.15 -0.04 7.03 5.77 2f27A1 ASN 235 HD22 -0.33 -0.04 -0.15 -0.04 7.74 7.18 2f27A1 ALA 236 H -0.14 0.83 0.33 -0.55 8.40 8.88 2f27A1 ALA 236 HA -0.10 0.30 1.27 -0.75 4.34 5.06 2f27A1 ALA 236 HB3 -0.13 -0.01 -0.12 -0.04 1.41 1.11 2f27A1 ARG 237 H -0.12 0.74 0.19 -0.55 8.46 8.72 2f27A1 ARG 237 HA -0.08 0.10 0.53 -0.75 4.34 4.14 2f27A1 ARG 237 HB2 -0.09 0.06 0.01 -0.04 1.90 1.84 2f27A1 ARG 237 HB3 -0.16 -0.12 0.06 -0.04 1.80 1.55 2f27A1 ARG 237 HG2 -0.06 0.02 -0.31 -0.04 1.67 1.28 2f27A1 ARG 237 HG3 -0.01 -0.02 -0.08 -0.04 1.67 1.51 2f27A1 ARG 237 HD2 -0.08 -0.11 -0.35 -0.04 3.22 2.64 2f27A1 ARG 237 HD3 -0.13 -0.18 -0.09 -0.04 3.22 2.78 2f27A1 SER 238 H -0.06 0.31 0.18 -0.55 8.46 8.35 2f27A1 SER 238 HA -0.01 0.12 0.59 -0.75 4.49 4.44 2f27A1 SER 238 HB2 -0.03 0.15 0.17 -0.04 3.95 4.20 2f27A1 SER 238 HB3 -0.08 0.03 -0.26 -0.04 3.93 3.58 2f27A1 HIS 239 H 0.31 0.23 0.10 -0.55 8.41 8.51 2f27A1 HIS 239 HA -0.03 0.13 0.54 -0.75 4.63 4.52 2f27A1 HIS 239 HB2 -0.01 0.24 0.31 -0.04 3.26 3.76 2f27A1 HIS 239 HB3 -0.02 -0.02 0.12 -0.04 3.20 3.23 2f27A1 HIS 239 HD2 -0.01 0.00 0.02 -0.04 6.97 6.94 2f27A1 HIS 239 HE1 -0.04 -0.00 0.03 -0.04 7.75 7.69 2f27A1 LEU 240 H -0.19 0.11 -0.39 -0.55 8.37 7.34 2f27A1 LEU 240 HA -0.27 0.20 0.64 -0.75 4.35 4.16 2f27A1 LEU 240 HB2 -0.18 0.07 0.01 -0.04 1.64 1.50 2f27A1 LEU 240 HB3 -0.17 0.01 0.14 -0.04 1.64 1.58 2f27A1 LEU 240 HG -0.46 -0.06 -0.03 -0.04 1.64 1.05 2f27A1 LEU 240 HD13 -0.13 -0.00 -0.01 -0.04 0.93 0.75 2f27A1 LEU 240 HD23 -0.36 0.02 -0.06 -0.04 0.89 0.45 2f27A1 ARG 241 H -0.09 0.16 -0.63 -0.55 8.46 7.35 2f27A1 ARG 241 HA -0.08 0.29 0.25 -0.75 4.34 4.04 2f27A1 ARG 241 HB2 -0.10 0.15 -0.25 -0.04 1.90 1.66 2f27A1 ARG 241 HB3 -0.12 -0.04 0.21 -0.04 1.80 1.81 2f27A1 ARG 241 HG2 -0.10 -0.08 -0.05 -0.04 1.67 1.41 2f27A1 ARG 241 HG3 -0.13 0.09 0.04 -0.04 1.67 1.63 2f27A1 ARG 241 HD2 -0.05 0.06 -0.18 -0.04 3.22 3.01 2f27A1 ARG 241 HD3 -0.07 -0.03 -0.22 -0.04 3.22 2.86 2f27A1 ALA 242 H -0.12 0.08 -0.55 -0.55 8.40 7.26 2f27A1 ALA 242 HA -0.16 0.31 0.51 -0.75 4.34 4.24 2f27A1 ALA 242 HB3 -0.13 0.00 -0.31 -0.04 1.41 0.94 2f27A1 ARG 243 H -0.26 0.53 0.15 -0.55 8.46 8.33 2f27A1 ARG 243 HA -0.20 0.12 0.57 -0.75 4.34 4.08 2f27A1 ARG 243 HB2 -0.44 -0.08 0.04 -0.04 1.90 1.38 2f27A1 ARG 243 HB3 -0.34 0.04 -0.01 -0.04 1.80 1.45 2f27A1 ARG 243 HG2 -0.40 0.24 -0.11 -0.04 1.67 1.36 2f27A1 ARG 243 HG3 -0.60 -0.05 -0.10 -0.04 1.67 0.88 2f27A1 ARG 243 HD2 -0.23 -0.07 -0.10 -0.04 3.22 2.78 2f27A1 ARG 243 HD3 -0.56 0.07 -0.14 -0.04 3.22 2.55 2f27A1 VAL 244 H -0.16 0.60 0.25 -0.55 8.24 8.39 2f27A1 VAL 244 HA -0.11 0.24 0.88 -0.75 4.13 4.39 2f27A1 VAL 244 HB -0.11 0.01 -0.01 -0.04 2.12 1.97 2f27A1 VAL 244 HG13 -0.08 -0.03 -0.31 -0.04 0.97 0.50 2f27A1 VAL 244 HG23 -0.09 -0.01 -0.21 -0.04 0.95 0.61 2f27A1 GLN 245 H -0.08 0.68 0.34 -0.55 8.47 8.87 2f27A1 GLN 245 HA -0.08 0.40 1.13 -0.75 4.36 5.06 2f27A1 GLN 245 HB2 -0.08 -0.00 -0.10 -0.04 2.15 1.93 2f27A1 GLN 245 HB3 -0.01 -0.05 0.06 -0.04 2.02 1.97 2f27A1 GLN 245 HG2 0.05 -0.07 -0.25 -0.04 2.40 2.10 2f27A1 GLN 245 HG3 0.06 0.08 -0.04 -0.04 2.39 2.44 2f27A1 GLN 245 HE21 0.14 0.25 -0.10 -0.04 6.97 7.23 2f27A1 GLN 245 HE22 0.08 -0.13 -0.13 -0.04 7.69 7.47 2f27A1 ALA 246 H -0.05 0.67 0.39 -0.55 8.40 8.87 2f27A1 ALA 246 HA 0.05 0.19 1.05 -0.75 4.34 4.87 2f27A1 ALA 246 HB3 -0.09 -0.01 0.02 -0.04 1.41 1.28 2f27A1 GLN 247 H 0.17 0.51 0.28 -0.55 8.47 8.88 2f27A1 GLN 247 HA 0.22 0.36 1.17 -0.75 4.36 5.37 2f27A1 GLN 247 HB2 0.06 -0.07 -0.12 -0.04 2.15 1.99 2f27A1 GLN 247 HB3 0.07 0.05 -0.04 -0.04 2.02 2.06 2f27A1 GLN 247 HG2 0.07 -0.02 -0.06 -0.04 2.40 2.35 2f27A1 GLN 247 HG3 0.04 0.02 -0.12 -0.04 2.39 2.29 2f27A1 GLN 247 HE21 0.05 0.08 -0.28 -0.04 6.97 6.78 2f27A1 GLN 247 HE22 0.04 -0.04 -0.24 -0.04 7.69 7.40 2f27A1 SER 248 H 0.07 0.61 0.34 -0.55 8.46 8.94 2f27A1 SER 248 HA -0.19 0.10 1.15 -0.75 4.49 4.80 2f27A1 SER 248 HB2 -1.59 0.15 -0.10 -0.04 3.95 2.37 2f27A1 SER 248 HB3 -0.43 0.03 0.18 -0.04 3.93 3.68 2f27A1 THR 249 H -0.08 0.20 0.18 -0.55 8.28 8.02 2f27A1 THR 249 HA -0.03 0.35 0.98 -0.75 4.39 4.93 2f27A1 THR 249 HB -0.02 0.06 0.21 -0.04 4.32 4.52 2f27A1 THR 249 HG23 -0.01 0.03 -0.10 -0.04 1.22 1.10 2f27A1 ASN 250 H -0.13 0.02 -0.14 -0.55 8.53 7.74 2f27A1 ASN 250 HA -0.05 0.30 0.85 -0.75 4.76 5.10 2f27A1 ASN 250 HB2 -0.05 0.06 0.16 -0.04 2.88 3.01 2f27A1 ASN 250 HB3 -0.05 0.06 -0.08 -0.04 2.79 2.68 2f27A1 ASN 250 HD21 -0.03 0.00 -0.05 -0.04 7.03 6.92 2f27A1 ASN 250 HD22 -0.02 0.09 0.02 -0.04 7.74 7.78 2f27A1 ASP 251 H -0.07 0.26 -0.24 -0.55 8.40 7.80 2f27A1 ASP 251 HA -0.04 0.08 0.20 -0.75 4.63 4.12 2f27A1 ASP 251 HB2 -0.03 0.15 -0.21 -0.04 2.71 2.58 2f27A1 ASP 251 HB3 0.01 -0.01 0.13 -0.04 2.70 2.79 2f27A1 GLY 252 H -0.24 0.01 -0.23 -0.55 8.43 7.42 2f27A1 GLY 252 HA2 -0.37 0.05 0.15 -0.51 4.01 3.33 2f27A1 GLY 252 HA3 -0.05 0.19 0.42 -0.51 4.01 4.06 2f27A1 LEU 253 H -0.12 0.29 -0.44 -0.55 8.37 7.55 2f27A1 LEU 253 HA -0.13 0.08 0.47 -0.75 4.35 4.01 2f27A1 LEU 253 HB2 -0.05 0.05 0.05 -0.04 1.64 1.64 2f27A1 LEU 253 HB3 -0.07 -0.03 0.09 -0.04 1.64 1.59 2f27A1 LEU 253 HG -0.06 -0.02 -0.14 -0.04 1.64 1.38 2f27A1 LEU 253 HD13 -0.29 -0.02 0.06 -0.04 0.93 0.64 2f27A1 LEU 253 HD23 -0.01 -0.01 -0.02 -0.04 0.89 0.81 2f27A1 ASP 254 H -0.20 0.04 -0.10 -0.55 8.40 7.59 2f27A1 ASP 254 HA 0.06 0.28 0.75 -0.75 4.63 4.96 2f27A1 ASP 254 HB2 -0.02 -0.10 -0.04 -0.04 2.71 2.51 2f27A1 ASP 254 HB3 0.06 0.07 -0.11 -0.04 2.70 2.68 2f27A1 PHE 255 H 0.21 0.33 -0.08 -0.55 8.34 8.24 2f27A1 PHE 255 HA 0.03 0.15 0.84 -0.75 4.62 4.88 2f27A1 PHE 255 HB2 0.04 0.03 0.03 -0.04 3.15 3.21 2f27A1 PHE 255 HB3 0.03 0.07 -0.02 -0.04 3.06 3.09 2f27A1 PHE 255 HD2 0.03 0.05 -0.48 -0.04 7.28 6.84 2f27A1 PHE 255 HE2 0.01 0.11 -0.23 -0.04 7.38 7.22 2f27A1 PHE 255 HZ 0.00 -0.02 -0.22 -0.04 7.32 7.04 2f27A1 GLN 256 H 0.01 0.12 0.15 -0.55 8.47 8.20 2f27A1 GLN 256 HA 0.05 0.08 0.40 -0.75 4.36 4.13 2f27A1 GLN 256 HB2 0.02 0.01 0.07 -0.04 2.15 2.20 2f27A1 GLN 256 HB3 0.02 0.03 0.09 -0.04 2.02 2.12 2f27A1 GLN 256 HG2 -0.00 0.03 0.01 -0.04 2.40 2.39 2f27A1 GLN 256 HG3 0.01 0.02 -0.04 -0.04 2.39 2.34 2f27A1 GLN 256 HE21 -0.08 -0.12 0.02 -0.04 6.97 6.75 2f27A1 GLN 256 HE22 -0.02 0.06 -0.07 -0.04 7.69 7.62 2f27A1 GLU 257 H 0.11 0.29 -0.14 -0.55 8.60 8.31 2f27A1 GLU 257 HA 0.05 0.19 0.82 -0.75 4.29 4.59 2f27A1 GLU 257 HB2 0.03 0.04 -0.14 -0.04 2.09 1.99 2f27A1 GLU 257 HB3 0.05 -0.08 0.01 -0.04 1.99 1.93 2f27A1 GLU 257 HG2 0.02 -0.02 -0.07 -0.04 2.34 2.23 2f27A1 GLU 257 HG3 0.03 0.03 -0.21 -0.04 2.34 2.16 2f27A1 SER 258 H 0.03 0.32 0.22 -0.55 8.46 8.49 2f27A1 SER 258 HA 0.02 0.31 0.81 -0.75 4.49 4.88 2f27A1 SER 258 HB2 -0.02 0.02 -0.07 -0.04 3.95 3.84 2f27A1 SER 258 HB3 0.04 0.02 -0.22 -0.04 3.93 3.73 2f27A1 GLN 259 H -0.03 0.60 0.35 -0.55 8.47 8.85 2f27A1 GLN 259 HA -0.03 0.07 0.49 -0.75 4.36 4.14 2f27A1 GLN 259 HB2 -0.02 -0.02 0.16 -0.04 2.15 2.23 2f27A1 GLN 259 HB3 -0.01 0.11 -0.09 -0.04 2.02 1.99 2f27A1 GLN 259 HG2 -0.00 -0.03 -0.17 -0.04 2.40 2.15 2f27A1 GLN 259 HG3 -0.02 0.03 -0.37 -0.04 2.39 1.99 2f27A1 GLN 259 HE21 -0.01 -0.06 -0.03 -0.04 6.97 6.83 2f27A1 GLN 259 HE22 -0.02 0.20 -0.02 -0.04 7.69 7.81 2f27A1 LEU 260 H -0.05 0.12 0.17 -0.55 8.37 8.06 2f27A1 LEU 260 HA -0.10 0.34 0.74 -0.75 4.35 4.58 2f27A1 LEU 260 HB2 -0.07 -0.07 0.11 -0.04 1.64 1.58 2f27A1 LEU 260 HB3 -0.09 0.04 -0.15 -0.04 1.64 1.40 2f27A1 LEU 260 HG -0.07 -0.08 -0.07 -0.04 1.64 1.38 2f27A1 LEU 260 HD13 -0.09 0.01 -0.04 -0.04 0.93 0.77 2f27A1 LEU 260 HD23 -0.11 0.01 -0.27 -0.04 0.89 0.49 2f27A1 VAL 261 H -0.15 0.82 0.15 -0.55 8.24 8.51 2f27A1 VAL 261 HA -0.06 0.11 0.81 -0.75 4.13 4.23 2f27A1 VAL 261 HB -0.30 0.02 0.18 -0.04 2.12 1.98 2f27A1 VAL 261 HG13 -0.12 -0.03 -0.02 -0.04 0.97 0.76 2f27A1 VAL 261 HG23 -0.07 0.02 -0.14 -0.04 0.95 0.71 2f27A1 LYS 262 H -0.07 0.23 -0.09 -0.55 8.42 7.93 2f27A1 LYS 262 HA -0.10 0.12 0.24 -0.75 4.32 3.83 2f27A1 LYS 262 HB2 -0.05 -0.03 0.03 -0.04 1.87 1.78 2f27A1 LYS 262 HB3 -0.06 0.04 -0.02 -0.04 1.79 1.71 2f27A1 LYS 262 HG2 -0.07 0.07 -0.04 -0.04 1.46 1.37 2f27A1 LYS 262 HG3 -0.06 -0.01 -0.05 -0.04 1.46 1.30 2f27A1 LYS 262 HD2 -0.04 -0.02 -0.01 -0.04 1.69 1.59 2f27A1 LYS 262 HD3 -0.04 0.01 -0.02 -0.04 1.68 1.59 2f27A1 LYS 262 HE2 -0.04 -0.01 -0.01 -0.04 2.99 2.88 2f27A1 LYS 262 HE3 -0.04 -0.03 -0.01 -0.04 2.99 2.88 2f27A1 LYS 263 H -0.06 0.02 -0.43 -0.55 8.42 7.39 2f27A1 LYS 263 HA -0.02 0.05 0.37 -0.75 4.32 3.97 2f27A1 LYS 263 HB2 0.01 -0.08 0.02 -0.04 1.87 1.78 2f27A1 LYS 263 HB3 -0.01 0.04 -0.08 -0.04 1.79 1.70 2f27A1 LYS 263 HG2 0.12 0.06 -0.05 -0.04 1.46 1.55 2f27A1 LYS 263 HG3 0.06 -0.08 0.03 -0.04 1.46 1.43 2f27A1 LYS 263 HD2 0.16 0.15 -0.09 -0.04 1.69 1.87 2f27A1 LYS 263 HD3 0.11 -0.03 -0.13 -0.04 1.68 1.59 2f27A1 LYS 263 HE2 0.04 -0.10 -0.02 -0.04 2.99 2.87 2f27A1 LYS 263 HE3 0.05 -0.10 -0.01 -0.04 2.99 2.89 2f27A1 LEU 264 H -0.23 0.50 -0.37 -0.55 8.37 7.73 2f27A1 LEU 264 HA -0.36 0.14 0.75 -0.75 4.35 4.12 2f27A1 LEU 264 HB2 -0.53 -0.07 0.21 -0.04 1.64 1.22 2f27A1 LEU 264 HB3 -0.75 0.03 -0.01 -0.04 1.64 0.87 2f27A1 LEU 264 HG -0.65 -0.08 -0.09 -0.04 1.64 0.78 2f27A1 LEU 264 HD13 -1.86 -0.02 -0.11 -0.04 0.93 -1.10 2f27A1 LEU 264 HD23 -0.96 0.03 -0.30 -0.04 0.89 -0.38 2f27A1 VAL 265 H -0.06 0.17 -0.03 -0.55 8.24 7.77 2f27A1 VAL 265 HA -0.12 0.19 0.36 -0.75 4.13 3.81 2f27A1 VAL 265 HB -0.06 -0.01 0.03 -0.04 2.12 2.04 2f27A1 VAL 265 HG13 0.03 0.02 -0.26 -0.04 0.97 0.73 2f27A1 VAL 265 HG23 -0.12 0.00 -0.10 -0.04 0.95 0.69 2f27A1 GLU 266 H -0.09 0.46 -0.10 -0.55 8.60 8.33 2f27A1 GLU 266 HA 0.11 0.19 0.68 -0.75 4.29 4.51 2f27A1 GLU 266 HB2 -0.08 -0.24 -0.32 -0.04 2.09 1.41 2f27A1 GLU 266 HB3 -0.01 0.03 -0.07 -0.04 1.99 1.90 2f27A1 GLU 266 HG2 -0.20 0.15 -0.51 -0.04 2.34 1.74 2f27A1 GLU 266 HG3 -0.11 0.02 -0.43 -0.04 2.34 1.78 2f27A1 PRO 267 HA -0.04 0.25 0.40 -0.51 4.44 4.54 2f27A1 PRO 267 HB2 0.07 0.04 -0.35 -0.04 2.28 2.00 2f27A1 PRO 267 HB3 0.06 0.20 -0.22 -0.04 2.02 2.03 2f27A1 PRO 267 HG2 0.06 -0.04 -0.27 -0.04 2.03 1.75 2f27A1 PRO 267 HG3 0.05 -0.02 -0.23 -0.04 2.03 1.79 2f27A1 PRO 267 HD2 0.15 -0.06 0.11 -0.04 3.68 3.84 2f27A1 PRO 267 HD3 0.16 0.29 -0.02 -0.04 3.65 4.04 2f27A1 PRO 268 HA 0.05 0.08 0.49 -0.51 4.44 4.55 2f27A1 PRO 268 HB2 0.13 -0.00 0.02 -0.04 2.28 2.39 2f27A1 PRO 268 HB3 0.09 0.02 0.14 -0.04 2.02 2.22 2f27A1 PRO 268 HG2 0.19 -0.01 0.15 -0.04 2.03 2.31 2f27A1 PRO 268 HG3 -0.02 0.07 0.09 -0.04 2.03 2.13 2f27A1 PRO 268 HD2 0.13 0.09 0.06 -0.04 3.68 3.93 2f27A1 PRO 268 HD3 -0.06 0.47 0.19 -0.04 3.65 4.20 2f27A1 PRO 269 HA 0.07 0.09 0.42 -0.51 4.44 4.51 2f27A1 PRO 269 HB2 0.06 0.04 0.07 -0.04 2.28 2.40 2f27A1 PRO 269 HB3 0.06 0.01 0.09 -0.04 2.02 2.15 2f27A1 PRO 269 HG2 0.05 0.04 0.00 -0.04 2.03 2.08 2f27A1 PRO 269 HG3 0.04 -0.00 0.05 -0.04 2.03 2.08 2f27A1 PRO 269 HD2 0.06 0.09 0.39 -0.04 3.68 4.18 2f27A1 PRO 269 HD3 0.07 0.10 -0.01 -0.04 3.65 3.77 2f27A1 GLN 270 H 0.06 0.23 -0.08 -0.55 8.47 8.13 2f27A1 GLN 270 HA 0.10 0.15 0.86 -0.75 4.36 4.72 2f27A1 GLN 270 HB2 0.04 -0.07 -0.16 -0.04 2.15 1.92 2f27A1 GLN 270 HB3 0.04 0.04 -0.00 -0.04 2.02 2.06 2f27A1 GLN 270 HG2 0.01 -0.02 0.00 -0.04 2.40 2.35 2f27A1 GLN 270 HG3 0.00 0.04 0.02 -0.04 2.39 2.41 2f27A1 GLN 270 HE21 0.08 -0.03 -0.06 -0.04 6.97 6.92 2f27A1 GLN 270 HE22 -0.02 0.02 -0.05 -0.04 7.69 7.60 2f27A1 GLY 271 H 0.05 0.31 -0.06 -0.55 8.43 8.19 2f27A1 GLY 271 HA2 0.06 0.15 0.27 -0.51 4.01 3.97 2f27A1 GLY 271 HA3 0.04 0.08 0.38 -0.51 4.01 4.00 2f27A1 CYS 272 H 0.14 0.31 0.20 -0.55 8.50 8.61 2f27A1 CYS 272 HA 0.08 0.04 0.69 -0.75 4.58 4.64 2f27A1 CYS 272 HB2 0.05 0.01 -0.20 -0.04 2.97 2.78 2f27A1 CYS 272 HB3 -0.13 0.08 -0.01 -0.04 2.97 2.87 2f27A1 GLN 273 H -0.45 0.01 0.14 -0.55 8.47 7.62 2f27A1 GLN 273 HA -0.21 0.09 0.49 -0.75 4.36 3.97 2f27A1 GLN 273 HB2 -0.94 -0.05 0.16 -0.04 2.15 1.29 2f27A1 GLN 273 HB3 -2.03 -0.15 0.16 -0.04 2.02 -0.04 2f27A1 GLN 273 HG2 -0.21 0.05 0.11 -0.04 2.40 2.31 2f27A1 GLN 273 HG3 -0.29 0.02 0.05 -0.04 2.39 2.14 2f27A1 GLN 273 HE21 0.06 0.33 0.07 -0.04 6.97 7.39 2f27A1 GLN 273 HE22 0.00 0.17 0.03 -0.04 7.69 7.85 2f27A1 GLY 274 H -0.04 0.25 0.24 -0.55 8.43 8.34 2f27A1 GLY 274 HA2 -0.02 0.14 0.87 -0.51 4.01 4.49 2f27A1 GLY 274 HA3 0.19 0.06 0.34 -0.51 4.01 4.09 2f27A1 SER 275 H -0.07 0.53 0.33 -0.55 8.46 8.70 2f27A1 SER 275 HA 0.13 0.25 1.10 -0.75 4.49 5.22 2f27A1 SER 275 HB2 0.14 0.29 -0.14 -0.04 3.95 4.20 2f27A1 SER 275 HB3 0.11 -0.08 -0.04 -0.04 3.93 3.88 2f27A1 VAL 276 H 0.24 0.29 0.26 -0.55 8.24 8.48 2f27A1 VAL 276 HA 0.32 0.33 1.06 -0.75 4.13 5.09 2f27A1 VAL 276 HB 0.27 0.00 -0.20 -0.04 2.12 2.15 2f27A1 VAL 276 HG13 0.17 -0.01 -0.21 -0.04 0.97 0.88 2f27A1 VAL 276 HG23 0.36 0.01 -0.13 -0.04 0.95 1.15 2f27A1 ILE 277 H 0.31 0.59 0.37 -0.55 8.25 8.98 2f27A1 ILE 277 HA 0.31 0.18 0.79 -0.75 4.18 4.71 2f27A1 ILE 277 HB 0.25 0.05 0.13 -0.04 1.89 2.28 2f27A1 ILE 277 HG12 0.20 0.02 -0.12 -0.04 1.49 1.55 2f27A1 ILE 277 HG13 0.34 -0.04 -0.23 -0.04 1.21 1.24 2f27A1 ILE 277 HG23 0.15 -0.03 -0.27 -0.04 0.93 0.74 2f27A1 ILE 277 HD13 0.21 -0.02 -0.28 -0.04 0.88 0.74 2f27A1 SER 278 H 0.25 0.15 0.29 -0.55 8.46 8.60 2f27A1 SER 278 HA 0.19 0.38 1.06 -0.75 4.49 5.37 2f27A1 SER 278 HB2 0.08 0.04 0.12 -0.04 3.95 4.14 2f27A1 SER 278 HB3 0.14 -0.10 -0.01 -0.04 3.93 3.92 2f27A1 PHE 279 H -0.11 0.55 0.35 -0.55 8.34 8.57 2f27A1 PHE 279 HA 0.11 0.08 0.60 -0.75 4.62 4.65 2f27A1 PHE 279 HB2 0.12 -0.00 0.10 -0.04 3.15 3.33 2f27A1 PHE 279 HB3 0.32 0.03 -0.21 -0.04 3.06 3.16 2f27A1 PHE 279 HD2 0.20 0.10 -0.33 -0.04 7.28 7.21 2f27A1 PHE 279 HE2 0.23 0.03 -0.32 -0.04 7.38 7.29 2f27A1 PHE 279 HZ 0.57 0.01 -0.16 -0.04 7.32 7.70 2f27A1 PRO 280 HA -0.10 0.14 0.61 -0.51 4.44 4.58 2f27A1 PRO 280 HB2 0.02 -0.01 0.10 -0.04 2.28 2.34 2f27A1 PRO 280 HB3 -0.03 0.08 0.12 -0.04 2.02 2.14 2f27A1 PRO 280 HG2 0.04 -0.00 0.10 -0.04 2.03 2.12 2f27A1 PRO 280 HG3 0.03 0.03 0.12 -0.04 2.03 2.17 2f27A1 PRO 280 HD2 0.18 0.06 0.22 -0.04 3.68 4.10 2f27A1 PRO 280 HD3 0.15 0.10 0.24 -0.04 3.65 4.09 2f27A1 SER 281 H -0.31 0.66 0.42 -0.55 8.46 8.68 2f27A1 SER 281 HA -1.24 0.03 0.45 -0.75 4.49 2.97 2f27A1 SER 281 HB2 -0.86 -0.05 -0.23 -0.04 3.95 2.77 2f27A1 SER 281 HB3 -0.42 0.14 0.11 -0.04 3.93 3.71 2f27A1 PRO 282 HA -0.19 0.06 0.45 -0.51 4.44 4.25 2f27A1 PRO 282 HB2 -0.37 0.06 -0.03 -0.04 2.28 1.90 2f27A1 PRO 282 HB3 -0.16 -0.02 0.09 -0.04 2.02 1.89 2f27A1 PRO 282 HG2 -0.16 0.02 0.03 -0.04 2.03 1.89 2f27A1 PRO 282 HG3 -0.03 0.01 0.07 -0.04 2.03 2.04 2f27A1 PRO 282 HD2 -2.52 0.12 0.16 -0.04 3.68 1.41 2f27A1 PRO 282 HD3 -1.24 0.13 0.23 -0.04 3.65 2.73 2f27A1 ARG 283 H -0.51 0.15 -0.45 -0.55 8.46 7.10 2f27A1 ARG 283 HA -0.11 0.19 0.70 -0.75 4.34 4.36 2f27A1 ARG 283 HB2 -0.04 0.12 -0.01 -0.04 1.90 1.93 2f27A1 ARG 283 HB3 -0.02 -0.01 0.13 -0.04 1.80 1.86 2f27A1 ARG 283 HG2 -0.04 0.01 -0.09 -0.04 1.67 1.51 2f27A1 ARG 283 HG3 -0.11 -0.09 -0.20 -0.04 1.67 1.23 2f27A1 ARG 283 HD2 0.28 0.07 -0.04 -0.04 3.22 3.49 2f27A1 ARG 283 HD3 0.09 -0.03 0.01 -0.04 3.22 3.25 2f27A1 SER 288 HA 0.02 -0.10 -0.01 -0.75 4.49 3.64 2f27A1 SER 288 HB2 0.02 -0.06 0.09 -0.04 3.95 3.96 2f27A1 SER 288 HB3 0.03 0.03 0.11 -0.04 3.93 4.06 2f27A1 PRO 289 HA 0.02 -0.07 0.55 -0.51 4.44 4.44 2f27A1 PRO 289 HB2 0.10 0.05 0.08 -0.04 2.28 2.46 2f27A1 PRO 289 HB3 0.04 -0.01 0.15 -0.04 2.02 2.16 2f27A1 PRO 289 HG2 0.41 0.02 0.07 -0.04 2.03 2.49 2f27A1 PRO 289 HG3 0.11 0.10 0.21 -0.04 2.03 2.41 2f27A1 PRO 289 HD2 0.15 0.30 0.27 -0.04 3.68 4.36 2f27A1 PRO 289 HD3 0.05 -0.03 0.21 -0.04 3.65 3.84 2f27A1 ALA 290 H -0.00 0.01 0.25 -0.55 8.40 8.12 2f27A1 ALA 290 HA -0.07 0.20 0.55 -0.75 4.34 4.27 2f27A1 ALA 290 HB3 -0.02 -0.05 0.17 -0.04 1.41 1.46 2f27A1 GLN 291 H -0.00 0.09 0.08 -0.55 8.47 8.09 2f27A1 GLN 291 HA -0.19 0.20 1.08 -0.75 4.36 4.70 2f27A1 GLN 291 HB2 -0.00 -0.09 0.10 -0.04 2.15 2.12 2f27A1 GLN 291 HB3 -0.04 0.05 0.12 -0.04 2.02 2.10 2f27A1 GLN 291 HG2 0.02 0.02 -0.08 -0.04 2.40 2.32 2f27A1 GLN 291 HG3 -0.03 0.10 -0.30 -0.04 2.39 2.12 2f27A1 GLN 291 HE21 0.03 -0.08 -0.06 -0.04 6.97 6.82 2f27A1 GLN 291 HE22 0.04 0.10 -0.03 -0.04 7.69 7.76 2f27A1 TRP 292 H -0.41 0.59 0.32 -0.55 7.97 7.92 2f27A1 TRP 292 HA -0.29 0.25 0.89 -0.75 4.62 4.71 2f27A1 TRP 292 HB2 -1.15 -0.01 -0.01 -0.04 3.23 2.02 2f27A1 TRP 292 HB3 -0.37 0.00 0.03 -0.04 3.23 2.85 2f27A1 TRP 292 HD1 -0.20 0.21 -0.38 -0.04 7.22 6.81 2f27A1 TRP 292 HE1 -0.11 0.16 -0.01 -0.04 10.20 10.21 2f27A1 TRP 292 HE3 0.20 -0.03 -0.06 -0.04 7.59 7.66 2f27A1 TRP 292 HZ2 -0.07 0.06 -0.02 -0.04 7.44 7.37 2f27A1 TRP 292 HZ3 0.10 -0.02 -0.02 -0.04 7.13 7.15 2f27A1 TRP 292 HH2 -0.05 0.04 -0.00 -0.04 7.19 7.13 2f27A1 LEU 293 H -0.13 0.52 0.30 -0.55 8.37 8.51 2f27A1 LEU 293 HA 0.20 0.32 1.20 -0.75 4.35 5.31 2f27A1 LEU 293 HB2 -0.28 -0.07 0.03 -0.04 1.64 1.28 2f27A1 LEU 293 HB3 0.30 0.06 -0.03 -0.04 1.64 1.92 2f27A1 LEU 293 HG -0.08 -0.02 -0.24 -0.04 1.64 1.26 2f27A1 LEU 293 HD13 -0.01 -0.01 -0.16 -0.04 0.93 0.70 2f27A1 LEU 293 HD23 0.12 0.01 -0.24 -0.04 0.89 0.74 2f27A1 LEU 294 H 0.40 0.59 0.33 -0.55 8.37 9.14 2f27A1 LEU 294 HA 0.39 0.33 0.93 -0.75 4.35 5.24 2f27A1 LEU 294 HB2 0.06 -0.02 -0.15 -0.04 1.64 1.49 2f27A1 LEU 294 HB3 0.04 -0.07 -0.04 -0.04 1.64 1.53 2f27A1 LEU 294 HG 0.07 -0.00 -0.23 -0.04 1.64 1.44 2f27A1 LEU 294 HD13 0.25 0.09 -0.07 -0.04 0.93 1.17 2f27A1 LEU 294 HD23 -1.00 -0.02 -0.21 -0.04 0.89 -0.38 2f27A1 TYR 295 H 0.46 0.51 0.29 -0.55 8.29 9.00 2f27A1 TYR 295 HA 0.13 0.35 1.02 -0.75 4.56 5.31 2f27A1 TYR 295 HB2 -0.03 -0.02 -0.14 -0.04 3.06 2.83 2f27A1 TYR 295 HB3 -0.19 -0.04 -0.05 -0.04 2.98 2.66 2f27A1 TYR 295 HD2 -0.47 -0.01 -0.19 -0.04 7.15 6.44 2f27A1 TYR 295 HE2 -0.66 -0.01 -0.20 -0.04 6.85 5.94 2f27A1 THR 296 H -0.21 0.44 0.32 -0.55 8.28 8.28 2f27A1 THR 296 HA -0.09 0.51 1.20 -0.75 4.39 5.25 2f27A1 THR 296 HB -0.06 -0.01 -0.06 -0.04 4.32 4.15 2f27A1 THR 296 HG23 0.08 -0.02 -0.24 -0.04 1.22 1.01 2f27A1 HIS 297 H -0.07 0.48 0.32 -0.55 8.41 8.59 2f27A1 HIS 297 HA -0.16 0.10 0.53 -0.75 4.63 4.35 2f27A1 HIS 297 HB2 -0.73 0.06 -0.24 -0.04 3.26 2.32 2f27A1 HIS 297 HB3 -0.35 -0.01 -0.22 -0.04 3.20 2.58 2f27A1 HIS 297 HD2 -0.07 -0.12 -0.29 -0.04 6.97 6.45 2f27A1 HIS 297 HE1 -0.01 -0.09 0.07 -0.04 7.75 7.67 2f27A1 PRO 298 HA -0.05 -0.01 0.17 -0.51 4.44 4.04 2f27A1 PRO 298 HB2 -0.10 0.09 0.06 -0.04 2.28 2.29 2f27A1 PRO 298 HB3 -0.05 -0.16 0.11 -0.04 2.02 1.88 2f27A1 PRO 298 HG2 -0.23 -0.04 0.04 -0.04 2.03 1.76 2f27A1 PRO 298 HG3 -0.14 0.00 -0.20 -0.04 2.03 1.65 2f27A1 PRO 298 HD2 -1.69 0.16 0.14 -0.04 3.68 2.25 2f27A1 PRO 298 HD3 -0.43 0.22 0.15 -0.04 3.65 3.54 2f27A1 THR 299 H 0.04 0.47 0.36 -0.55 8.28 8.61 2f27A1 THR 299 HA 0.16 0.27 0.94 -0.75 4.39 5.01 2f27A1 THR 299 HB 0.03 -0.06 0.14 -0.04 4.32 4.38 2f27A1 THR 299 HG23 0.02 0.02 -0.05 -0.04 1.22 1.16 2f27A1 HIS 300 H 0.14 0.21 0.13 -0.55 8.41 8.35 2f27A1 HIS 300 HA 0.00 0.03 0.55 -0.75 4.63 4.46 2f27A1 HIS 300 HB2 0.02 0.04 0.04 -0.04 3.26 3.33 2f27A1 HIS 300 HB3 0.03 0.29 0.10 -0.04 3.20 3.57 2f27A1 HIS 300 HD2 0.05 0.00 -0.07 -0.04 6.97 6.91 2f27A1 HIS 300 HE1 0.46 0.06 -0.02 -0.04 7.75 8.22 2f27A1 SER 301 H -0.30 0.08 0.17 -0.55 8.46 7.86 2f27A1 SER 301 HA -0.17 0.31 0.67 -0.75 4.49 4.54 2f27A1 SER 301 HB2 -0.72 0.02 0.12 -0.04 3.95 3.34 2f27A1 SER 301 HB3 -0.31 0.10 0.02 -0.04 3.93 3.70 2f27A1 TRP 302 H 0.77 -0.08 -0.09 -0.55 7.97 8.02 2f27A1 TRP 302 HA 0.10 0.29 1.03 -0.75 4.62 5.28 2f27A1 TRP 302 HB2 0.32 -0.06 0.00 -0.04 3.23 3.46 2f27A1 TRP 302 HB3 0.10 0.01 0.07 -0.04 3.23 3.36 2f27A1 TRP 302 HD1 0.09 -0.03 -0.01 -0.04 7.22 7.22 2f27A1 TRP 302 HE1 -0.01 0.01 -0.03 -0.04 10.20 10.13 2f27A1 TRP 302 HE3 0.05 0.01 0.08 -0.04 7.59 7.69 2f27A1 TRP 302 HZ2 0.01 -0.01 -0.01 -0.04 7.44 7.38 2f27A1 TRP 302 HZ3 0.02 -0.01 0.03 -0.04 7.13 7.13 2f27A1 TRP 302 HH2 0.01 -0.01 0.00 -0.04 7.19 7.15 2f27A1 GLN 303 H 0.21 0.07 -0.03 -0.55 8.47 8.18 2f27A1 GLN 303 HA 0.06 0.25 0.58 -0.75 4.36 4.49 2f27A1 GLN 303 HB2 -0.07 -0.07 0.08 -0.04 2.15 2.05 2f27A1 GLN 303 HB3 -0.02 0.11 -0.17 -0.04 2.02 1.91 2f27A1 GLN 303 HG2 -0.89 -0.12 -0.16 -0.04 2.40 1.19 2f27A1 GLN 303 HG3 -0.48 0.00 -0.39 -0.04 2.39 1.48 2f27A1 GLN 303 HE21 -0.08 0.00 -0.07 -0.04 6.97 6.79 2f27A1 GLN 303 HE22 -0.28 -0.02 -0.10 -0.04 7.69 7.25 2f27A1 ARG 304 H -0.01 0.13 0.09 -0.55 8.46 8.12 2f27A1 ARG 304 HA -0.00 0.21 0.79 -0.75 4.34 4.58 2f27A1 ARG 304 HB2 0.00 -0.15 0.24 -0.04 1.90 1.95 2f27A1 ARG 304 HB3 -0.00 0.30 0.25 -0.04 1.80 2.31 2f27A1 ARG 304 HG2 0.04 0.11 -0.04 -0.04 1.67 1.73 2f27A1 ARG 304 HG3 0.06 -0.02 -0.05 -0.04 1.67 1.61 2f27A1 ARG 304 HD2 0.19 -0.07 0.03 -0.04 3.22 3.33 2f27A1 ARG 304 HD3 0.18 -0.08 0.07 -0.04 3.22 3.35 2f27A1 ALA 305 H 0.02 0.36 0.23 -0.55 8.40 8.46 2f27A1 ALA 305 HA -0.03 0.02 0.64 -0.75 4.34 4.21 2f27A1 ALA 305 HB3 -0.04 -0.03 -0.25 -0.04 1.41 1.05 2f27A1 ASP 306 H -0.01 0.62 0.14 -0.55 8.40 8.60 2f27A1 ASP 306 HA -0.04 0.40 0.56 -0.75 4.63 4.79 2f27A1 ASP 306 HB2 0.05 0.04 0.08 -0.04 2.71 2.83 2f27A1 ASP 306 HB3 -0.01 0.08 0.10 -0.04 2.70 2.83 2f27A1 LEU 307 H -0.14 0.13 0.04 -0.55 8.37 7.86 2f27A1 LEU 307 HA -0.12 0.11 0.18 -0.75 4.35 3.77 2f27A1 LEU 307 HB2 -0.34 -0.02 -0.03 -0.04 1.64 1.20 2f27A1 LEU 307 HB3 -0.42 -0.12 0.01 -0.04 1.64 1.07 2f27A1 LEU 307 HG -0.21 0.10 -0.21 -0.04 1.64 1.28 2f27A1 LEU 307 HD13 -0.13 -0.00 -0.28 -0.04 0.93 0.48 2f27A1 LEU 307 HD23 -0.58 -0.02 -0.22 -0.04 0.89 0.03 2f27A1 GLY 308 H -0.06 0.66 0.33 -0.55 8.43 8.82 2f27A1 GLY 308 HA2 -0.19 0.17 1.07 -0.51 4.01 4.55 2f27A1 GLY 308 HA3 -0.19 0.05 0.29 -0.51 4.01 3.66 2f27A1 ALA 309 H -0.20 0.47 0.35 -0.55 8.40 8.47 2f27A1 ALA 309 HA 0.11 0.35 1.08 -0.75 4.34 5.12 2f27A1 ALA 309 HB3 -0.01 -0.02 -0.02 -0.04 1.41 1.32 2f27A1 TYR 310 H 0.52 0.74 0.37 -0.55 8.29 9.36 2f27A1 TYR 310 HA 0.37 0.23 0.82 -0.75 4.56 5.23 2f27A1 TYR 310 HB2 0.26 -0.07 -0.07 -0.04 3.06 3.14 2f27A1 TYR 310 HB3 0.37 0.06 -0.11 -0.04 2.98 3.26 2f27A1 TYR 310 HD2 0.09 0.23 -0.19 -0.04 7.15 7.24 2f27A1 TYR 310 HE2 -0.01 0.10 -0.08 -0.04 6.85 6.82 2f27A1 LEU 311 H 0.20 0.20 0.14 -0.55 8.37 8.37 2f27A1 LEU 311 HA 0.13 0.34 1.07 -0.75 4.35 5.13 2f27A1 LEU 311 HB2 -1.40 -0.01 -0.14 -0.04 1.64 0.05 2f27A1 LEU 311 HB3 -0.79 -0.01 0.09 -0.04 1.64 0.88 2f27A1 LEU 311 HG -0.49 -0.02 -0.07 -0.04 1.64 1.01 2f27A1 LEU 311 HD13 -0.65 -0.01 -0.30 -0.04 0.93 -0.07 2f27A1 LEU 311 HD23 0.29 0.03 -0.04 -0.04 0.89 1.13 2f27A1 ASN 312 H -0.28 0.60 0.20 -0.55 8.53 8.50 2f27A1 ASN 312 HA -0.67 0.40 0.79 -0.75 4.76 4.53 2f27A1 ASN 312 HB2 -2.89 0.02 -0.23 -0.04 2.88 -0.26 2f27A1 ASN 312 HB3 -1.01 -0.11 0.09 -0.04 2.79 1.73 2f27A1 ASN 312 HD21 -0.83 0.37 -0.45 -0.04 7.03 6.08 2f27A1 ASN 312 HD22 -2.96 -0.03 -0.29 -0.04 7.74 4.42 2f27A1 PRO 313 HA -2.40 0.08 0.59 -0.51 4.44 2.20 2f27A1 PRO 313 HB2 -1.02 0.05 0.07 -0.04 2.28 1.33 2f27A1 PRO 313 HB3 -1.66 -0.01 0.04 -0.04 2.02 0.35 2f27A1 PRO 313 HG2 -0.48 0.02 -0.06 -0.04 2.03 1.48 2f27A1 PRO 313 HG3 -0.49 0.03 0.01 -0.04 2.03 1.54 2f27A1 PRO 313 HD2 -0.49 0.40 0.19 -0.04 3.68 3.74 2f27A1 PRO 313 HD3 -0.56 0.11 -0.13 -0.04 3.65 3.04 2f27A1 ARG 314 H -0.49 0.03 -0.44 -0.55 8.46 7.00 2f27A1 ARG 314 HA -0.15 0.25 0.73 -0.75 4.34 4.41 2f27A1 ARG 314 HB2 -0.23 -0.06 0.07 -0.04 1.90 1.64 2f27A1 ARG 314 HB3 -0.14 -0.03 0.13 -0.04 1.80 1.72 2f27A1 ARG 314 HG2 -0.13 0.18 -0.09 -0.04 1.67 1.59 2f27A1 ARG 314 HG3 -0.27 -0.06 -0.40 -0.04 1.67 0.90 2f27A1 ARG 314 HD2 -0.09 -0.03 -0.01 -0.04 3.22 3.04 2f27A1 ARG 314 HD3 -0.10 0.01 -0.04 -0.04 3.22 3.05 2f27A1 PRO 315 HA -0.26 -0.03 0.28 -0.51 4.44 3.92 2f27A1 PRO 315 HB2 -0.08 -0.00 -0.15 -0.04 2.28 2.00 2f27A1 PRO 315 HB3 -0.24 0.01 -0.04 -0.04 2.02 1.70 2f27A1 PRO 315 HG2 -0.03 -0.00 -0.01 -0.04 2.03 1.94 2f27A1 PRO 315 HG3 -0.04 0.04 -0.12 -0.04 2.03 1.88 2f27A1 PRO 315 HD2 -0.06 0.23 -0.10 -0.04 3.68 3.71 2f27A1 PRO 315 HD3 -0.28 0.24 -0.10 -0.04 3.65 3.47 2f27A1 PRO 316 HA -0.13 0.05 0.18 -0.51 4.44 4.04 2f27A1 PRO 316 HB2 0.02 0.01 -0.05 -0.04 2.28 2.22 2f27A1 PRO 316 HB3 0.01 0.01 -0.07 -0.04 2.02 1.93 2f27A1 PRO 316 HG2 -0.01 0.01 -0.14 -0.04 2.03 1.85 2f27A1 PRO 316 HG3 0.01 -0.02 -0.08 -0.04 2.03 1.90 2f27A1 PRO 316 HD2 -0.03 0.12 0.33 -0.04 3.68 4.06 2f27A1 PRO 316 HD3 -0.02 0.11 -0.07 -0.04 3.65 3.63 2f27A1 ALA 317 H -0.12 0.35 -0.07 -0.55 8.40 8.01 2f27A1 ALA 317 HA -0.06 0.02 0.31 -0.75 4.34 3.85 2f27A1 ALA 317 HB3 -0.12 0.02 0.07 -0.04 1.41 1.34 2f27A1 PRO 318 HA 0.21 0.11 0.38 -0.51 4.44 4.64 2f27A1 PRO 318 HB2 0.03 -0.03 0.02 -0.04 2.28 2.26 2f27A1 PRO 318 HB3 0.07 0.03 0.01 -0.04 2.02 2.09 2f27A1 PRO 318 HG2 0.02 -0.00 -0.02 -0.04 2.03 1.98 2f27A1 PRO 318 HG3 0.05 0.10 -0.00 -0.04 2.03 2.15 2f27A1 PRO 318 HD2 -0.01 0.02 0.13 -0.04 3.68 3.78 2f27A1 PRO 318 HD3 -0.01 0.16 -0.04 -0.04 3.65 3.72 2f27A1 GLU 319 H -0.02 0.08 -0.26 -0.55 8.60 7.86 2f27A1 GLU 319 HA 0.04 0.13 0.51 -0.75 4.29 4.21 2f27A1 GLU 319 HB2 -0.01 0.03 0.10 -0.04 2.09 2.17 2f27A1 GLU 319 HB3 -0.01 -0.04 0.04 -0.04 1.99 1.94 2f27A1 GLU 319 HG2 -0.05 0.09 -0.34 -0.04 2.34 2.00 2f27A1 GLU 319 HG3 -0.03 -0.01 -0.07 -0.04 2.34 2.19 2f27A1 ALA 320 H -0.14 0.45 -0.53 -0.55 8.40 7.63 2f27A1 ALA 320 HA -0.13 0.12 0.55 -0.75 4.34 4.13 2f27A1 ALA 320 HB3 -0.29 0.00 -0.02 -0.04 1.41 1.06 2f27A1 TRP 321 H 0.05 0.19 -0.39 -0.55 7.97 7.27 2f27A1 TRP 321 HA -0.07 0.07 0.43 -0.75 4.62 4.29 2f27A1 TRP 321 HB2 -0.07 0.02 0.04 -0.04 3.23 3.17 2f27A1 TRP 321 HB3 -0.02 0.09 -0.13 -0.04 3.23 3.13 2f27A1 TRP 321 HD1 -0.13 0.20 0.08 -0.04 7.22 7.32 2f27A1 TRP 321 HE1 -0.16 -0.03 -0.15 -0.04 10.20 9.82 2f27A1 TRP 321 HE3 0.05 0.03 -0.41 -0.04 7.59 7.23 2f27A1 TRP 321 HZ2 -0.12 -0.03 -0.21 -0.04 7.44 7.04 2f27A1 TRP 321 HZ3 0.14 0.12 -0.54 -0.04 7.13 6.81 2f27A1 TRP 321 HH2 0.06 -0.03 -0.37 -0.04 7.19 6.81 2f27A1 SER 322 H 0.23 0.44 0.32 -0.55 8.46 8.90 2f27A1 SER 322 HA 0.08 0.07 0.47 -0.75 4.49 4.35 2f27A1 SER 322 HB2 0.08 -0.07 0.22 -0.04 3.95 4.14 2f27A1 SER 322 HB3 -0.08 0.07 0.21 -0.04 3.93 4.09 2f27A1 GLU 323 H 0.11 0.05 0.18 -0.55 8.60 8.40 2f27A1 GLU 323 HA 0.11 0.14 0.61 -0.75 4.29 4.41 2f27A1 GLU 323 HB2 0.06 -0.04 0.11 -0.04 2.09 2.18 2f27A1 GLU 323 HB3 0.02 0.06 0.11 -0.04 1.99 2.14 2f27A1 GLU 323 HG2 0.06 0.05 0.03 -0.04 2.34 2.44 2f27A1 GLU 323 HG3 0.06 -0.05 0.07 -0.04 2.34 2.38 2f27A1 PRO 324 HA -0.34 0.28 0.53 -0.51 4.44 4.39 2f27A1 PRO 324 HB2 -0.51 -0.04 -0.09 -0.04 2.28 1.59 2f27A1 PRO 324 HB3 -1.90 0.05 -0.07 -0.04 2.02 0.06 2f27A1 PRO 324 HG2 -0.16 -0.04 -0.00 -0.04 2.03 1.78 2f27A1 PRO 324 HG3 -0.15 0.07 0.04 -0.04 2.03 1.95 2f27A1 PRO 324 HD2 -0.02 0.01 0.22 -0.04 3.68 3.85 2f27A1 PRO 324 HD3 0.04 0.23 0.20 -0.04 3.65 4.07 2f27A1 VAL 325 H -0.23 0.40 0.34 -0.55 8.24 8.21 2f27A1 VAL 325 HA -0.18 0.15 0.85 -0.75 4.13 4.19 2f27A1 VAL 325 HB -0.41 -0.10 0.15 -0.04 2.12 1.72 2f27A1 VAL 325 HG13 -0.31 0.01 -0.05 -0.04 0.97 0.57 2f27A1 VAL 325 HG23 -0.57 0.10 0.01 -0.04 0.95 0.45 2f27A1 LEU 326 H -0.15 0.19 0.08 -0.55 8.37 7.95 2f27A1 LEU 326 HA -0.15 0.13 0.49 -0.75 4.35 4.06 2f27A1 LEU 326 HB2 -0.10 0.04 0.09 -0.04 1.64 1.63 2f27A1 LEU 326 HB3 -0.11 -0.04 0.01 -0.04 1.64 1.46 2f27A1 LEU 326 HG -0.07 0.02 -0.08 -0.04 1.64 1.47 2f27A1 LEU 326 HD13 -0.05 -0.02 -0.18 -0.04 0.93 0.64 2f27A1 LEU 326 HD23 -0.08 -0.03 -0.22 -0.04 0.89 0.52 2f27A1 LEU 327 H -0.20 0.68 0.41 -0.55 8.37 8.72 2f27A1 LEU 327 HA -0.26 0.10 0.67 -0.75 4.35 4.11 2f27A1 LEU 327 HB2 -0.28 0.07 -0.13 -0.04 1.64 1.26 2f27A1 LEU 327 HB3 -0.29 -0.06 -0.16 -0.04 1.64 1.10 2f27A1 LEU 327 HG -0.31 0.07 -0.15 -0.04 1.64 1.20 2f27A1 LEU 327 HD13 -0.19 -0.01 -0.27 -0.04 0.93 0.41 2f27A1 LEU 327 HD23 -0.72 -0.00 -0.17 -0.04 0.89 -0.04 2f27A1 ALA 328 H -0.19 0.44 0.14 -0.55 8.40 8.25 2f27A1 ALA 328 HA -0.06 0.13 0.71 -0.75 4.34 4.36 2f27A1 ALA 328 HB3 -0.19 0.01 -0.09 -0.04 1.41 1.10 2f27A1 LYS 329 H -0.02 0.15 0.12 -0.55 8.42 8.13 2f27A1 LYS 329 HA -0.02 0.12 0.77 -0.75 4.32 4.44 2f27A1 LYS 329 HB2 -0.00 -0.01 0.08 -0.04 1.87 1.90 2f27A1 LYS 329 HB3 -0.00 -0.02 0.07 -0.04 1.79 1.80 2f27A1 LYS 329 HG2 -0.02 0.08 -0.05 -0.04 1.46 1.43 2f27A1 LYS 329 HG3 -0.03 -0.08 -0.09 -0.04 1.46 1.21 2f27A1 LYS 329 HD2 -0.02 0.11 0.08 -0.04 1.69 1.81 2f27A1 LYS 329 HD3 -0.01 -0.08 0.03 -0.04 1.68 1.58 2f27A1 LYS 329 HE2 -0.00 -0.11 -0.01 -0.04 2.99 2.83 2f27A1 LYS 329 HE3 -0.01 0.04 0.01 -0.04 2.99 2.99 2f27A1 GLY 330 H 0.01 0.12 0.18 -0.55 8.43 8.19 2f27A1 GLY 330 HA2 0.01 0.04 0.36 -0.51 4.01 3.90 2f27A1 GLY 330 HA3 0.00 0.14 0.54 -0.51 4.01 4.18 2f27A1 SER 331 H -0.02 0.09 0.20 -0.55 8.46 8.19 2f27A1 SER 331 HA -0.06 0.28 0.60 -0.75 4.49 4.56 2f27A1 SER 331 HB2 -0.06 0.09 0.21 -0.04 3.95 4.15 2f27A1 SER 331 HB3 -0.05 -0.08 0.30 -0.04 3.93 4.06 2f27A1 CYS 332 H -0.05 0.57 0.23 -0.55 8.50 8.70 2f27A1 CYS 332 HA 0.07 0.26 0.81 -0.75 4.58 4.96 2f27A1 CYS 332 HB2 -0.05 -0.11 -0.17 -0.04 2.97 2.60 2f27A1 CYS 332 HB3 -0.03 0.10 -0.08 -0.04 2.97 2.91 2f27A1 ALA 333 H 0.10 0.45 0.10 -0.55 8.40 8.52 2f27A1 ALA 333 HA 0.05 0.21 0.87 -0.75 4.34 4.71 2f27A1 ALA 333 HB3 0.18 -0.02 0.09 -0.04 1.41 1.63 2f27A1 TYR 334 H 0.46 -0.00 0.22 -0.55 8.29 8.42 2f27A1 TYR 334 HA 0.04 0.26 0.47 -0.75 4.56 4.58 2f27A1 TYR 334 HB2 0.12 -0.17 0.22 -0.04 3.06 3.19 2f27A1 TYR 334 HB3 0.10 0.17 0.05 -0.04 2.98 3.25 2f27A1 TYR 334 HD2 0.08 -0.01 0.10 -0.04 7.15 7.27 2f27A1 TYR 334 HE2 0.05 0.06 0.10 -0.04 6.85 7.02 2f27A1 SER 335 H 0.08 0.32 0.17 -0.55 8.46 8.48 2f27A1 SER 335 HA 0.23 0.28 0.85 -0.75 4.49 5.09 2f27A1 SER 335 HB2 0.15 -0.02 0.01 -0.04 3.95 4.05 2f27A1 SER 335 HB3 0.12 0.01 -0.21 -0.04 3.93 3.81 2f27A1 ASP 336 H 0.21 0.46 0.28 -0.55 8.40 8.80 2f27A1 ASP 336 HA 0.22 0.15 0.72 -0.75 4.63 4.96 2f27A1 ASP 336 HB2 0.23 0.21 -0.21 -0.04 2.71 2.90 2f27A1 ASP 336 HB3 0.26 -0.14 0.01 -0.04 2.70 2.79 2f27A1 LEU 337 H 0.25 0.18 0.17 -0.55 8.37 8.42 2f27A1 LEU 337 HA 0.16 0.32 1.06 -0.75 4.35 5.13 2f27A1 LEU 337 HB2 0.18 -0.00 -0.10 -0.04 1.64 1.67 2f27A1 LEU 337 HB3 0.11 0.01 -0.10 -0.04 1.64 1.61 2f27A1 LEU 337 HG 0.13 -0.08 -0.24 -0.04 1.64 1.41 2f27A1 LEU 337 HD13 0.12 0.01 -0.34 -0.04 0.93 0.68 2f27A1 LEU 337 HD23 0.11 0.03 -0.15 -0.04 0.89 0.84 2f27A1 GLN 338 H 0.11 0.48 0.30 -0.55 8.47 8.81 2f27A1 GLN 338 HA -0.02 0.14 0.73 -0.75 4.36 4.46 2f27A1 GLN 338 HB2 0.16 -0.05 -0.10 -0.04 2.15 2.11 2f27A1 GLN 338 HB3 0.12 0.04 -0.10 -0.04 2.02 2.04 2f27A1 GLN 338 HG2 0.11 0.10 -0.46 -0.04 2.40 2.11 2f27A1 GLN 338 HG3 0.21 -0.22 -0.50 -0.04 2.39 1.84 2f27A1 GLN 338 HE21 -0.33 -0.04 0.27 -0.04 6.97 6.84 2f27A1 GLN 338 HE22 -0.67 0.51 0.46 -0.04 7.69 7.95 2f27A1 SER 339 H 0.09 0.19 0.22 -0.55 8.46 8.42 2f27A1 SER 339 HA 0.05 0.16 0.76 -0.75 4.49 4.71 2f27A1 SER 339 HB2 0.25 0.12 0.18 -0.04 3.95 4.46 2f27A1 SER 339 HB3 0.12 -0.02 0.28 -0.04 3.93 4.27 2f27A1 MET 340 H -0.38 0.90 0.33 -0.55 8.47 8.77 2f27A1 MET 340 HA -0.99 0.19 0.89 -0.75 4.52 3.86 2f27A1 MET 340 HB2 -0.48 0.00 -0.30 -0.04 2.15 1.33 2f27A1 MET 340 HB3 -0.83 -0.01 -0.04 -0.04 2.03 1.10 2f27A1 MET 340 HG2 -0.77 -0.02 -0.28 -0.04 2.63 1.53 2f27A1 MET 340 HG3 -0.28 0.03 -0.48 -0.04 2.56 1.79 2f27A1 MET 340 HE3 -0.16 -0.00 -0.24 -0.04 2.10 1.65 2f27A1 GLY 341 H -0.26 0.09 0.02 -0.55 8.43 7.74 2f27A1 GLY 341 HA2 -0.10 0.04 0.30 -0.51 4.01 3.74 2f27A1 GLY 341 HA3 -0.14 0.18 0.79 -0.51 4.01 4.33 2f27A1 THR 342 H -0.11 0.17 0.13 -0.55 8.28 7.93 2f27A1 THR 342 HA -0.13 0.09 0.55 -0.75 4.39 4.14 2f27A1 THR 342 HB -0.05 -0.02 0.09 -0.04 4.32 4.30 2f27A1 THR 342 HG23 -0.04 0.09 -0.22 -0.04 1.22 1.00 2f27A1 GLY 343 H -0.14 0.77 0.11 -0.55 8.43 8.63 2f27A1 GLY 343 HA2 -0.10 0.15 0.44 -0.51 4.01 3.99 2f27A1 GLY 343 HA3 -0.11 -0.03 0.27 -0.51 4.01 3.62 2f27A1 PRO 344 HA -0.02 0.14 0.45 -0.51 4.44 4.50 2f27A1 PRO 344 HB2 -0.26 0.01 -0.02 -0.04 2.28 1.97 2f27A1 PRO 344 HB3 -0.14 0.10 0.09 -0.04 2.02 2.03 2f27A1 PRO 344 HG2 -0.22 0.11 0.07 -0.04 2.03 1.95 2f27A1 PRO 344 HG3 0.12 0.08 0.07 -0.04 2.03 2.26 2f27A1 PRO 344 HD2 -0.08 0.03 0.15 -0.04 3.68 3.74 2f27A1 PRO 344 HD3 0.02 0.12 0.17 -0.04 3.65 3.92 2f27A1 ASP 345 H -0.08 0.03 -0.32 -0.55 8.40 7.47 2f27A1 ASP 345 HA -0.06 0.27 0.78 -0.75 4.63 4.87 2f27A1 ASP 345 HB2 -0.09 0.06 0.14 -0.04 2.71 2.78 2f27A1 ASP 345 HB3 -0.09 0.05 -0.00 -0.04 2.70 2.62 2f27A1 GLY 346 H -0.04 0.42 -0.52 -0.55 8.43 7.73 2f27A1 GLY 346 HA2 -0.02 0.06 0.24 -0.51 4.01 3.78 2f27A1 GLY 346 HA3 -0.01 0.11 0.43 -0.51 4.01 4.04 2f27A1 SER 347 H -0.07 -0.08 -0.51 -0.55 8.46 7.25 2f27A1 SER 347 HA 0.05 0.33 0.84 -0.75 4.49 4.96 2f27A1 SER 347 HB2 0.07 0.07 0.08 -0.04 3.95 4.14 2f27A1 SER 347 HB3 -0.17 0.13 -0.06 -0.04 3.93 3.79 2f27A1 PRO 348 HA -0.29 0.29 0.56 -0.51 4.44 4.49 2f27A1 PRO 348 HB2 -0.58 -0.09 0.05 -0.04 2.28 1.63 2f27A1 PRO 348 HB3 -0.44 0.06 0.08 -0.04 2.02 1.68 2f27A1 PRO 348 HG2 0.24 0.15 0.05 -0.04 2.03 2.43 2f27A1 PRO 348 HG3 0.03 0.11 0.06 -0.04 2.03 2.19 2f27A1 PRO 348 HD2 0.15 -0.01 0.19 -0.04 3.68 3.96 2f27A1 PRO 348 HD3 0.10 0.23 0.23 -0.04 3.65 4.16 2f27A1 LEU 349 H -0.48 0.85 0.31 -0.55 8.37 8.50 2f27A1 LEU 349 HA -0.42 0.11 0.79 -0.75 4.35 4.08 2f27A1 LEU 349 HB2 -0.28 -0.04 -0.33 -0.04 1.64 0.96 2f27A1 LEU 349 HB3 -0.40 -0.02 -0.42 -0.04 1.64 0.76 2f27A1 LEU 349 HG -0.32 -0.01 -0.38 -0.04 1.64 0.88 2f27A1 LEU 349 HD13 -0.10 -0.00 -0.12 -0.04 0.93 0.67 2f27A1 LEU 349 HD23 -0.53 0.03 -0.25 -0.04 0.89 0.09 2f27A1 PHE 350 H -0.38 0.67 0.36 -0.55 8.34 8.44 2f27A1 PHE 350 HA -0.28 0.22 1.13 -0.75 4.62 4.94 2f27A1 PHE 350 HB2 -1.25 -0.01 -0.04 -0.04 3.15 1.81 2f27A1 PHE 350 HB3 -0.45 0.04 -0.06 -0.04 3.06 2.55 2f27A1 PHE 350 HD2 -0.28 0.03 -0.22 -0.04 7.28 6.77 2f27A1 PHE 350 HE2 -0.31 -0.03 -0.19 -0.04 7.38 6.80 2f27A1 PHE 350 HZ -2.27 0.04 -0.18 -0.04 7.32 4.86 2f27A1 GLY 351 H 0.04 0.60 0.33 -0.55 8.43 8.86 2f27A1 GLY 351 HA2 -0.01 0.24 1.02 -0.51 4.01 4.75 2f27A1 GLY 351 HA3 0.29 -0.05 0.25 -0.51 4.01 3.99 2f27A1 CYS 352 H -0.10 0.68 0.33 -0.55 8.50 8.87 2f27A1 CYS 352 HA 0.22 0.30 0.96 -0.75 4.58 5.30 2f27A1 CYS 352 HB2 0.23 -0.00 -0.27 -0.04 2.97 2.89 2f27A1 CYS 352 HB3 0.25 -0.04 -0.02 -0.04 2.97 3.12 2f27A1 LEU 353 H 0.27 0.55 0.28 -0.55 8.37 8.93 2f27A1 LEU 353 HA 0.24 0.33 0.95 -0.75 4.35 5.12 2f27A1 LEU 353 HB2 0.30 -0.02 -0.05 -0.04 1.64 1.84 2f27A1 LEU 353 HB3 0.24 -0.05 -0.02 -0.04 1.64 1.76 2f27A1 LEU 353 HG 0.16 -0.02 -0.18 -0.04 1.64 1.56 2f27A1 LEU 353 HD13 0.10 0.02 -0.19 -0.04 0.93 0.82 2f27A1 LEU 353 HD23 0.22 -0.03 -0.16 -0.04 0.89 0.88 2f27A1 TYR 354 H -0.05 0.60 0.30 -0.55 8.29 8.60 2f27A1 TYR 354 HA 0.12 0.25 0.79 -0.75 4.56 4.97 2f27A1 TYR 354 HB2 0.05 0.12 0.01 -0.04 3.06 3.20 2f27A1 TYR 354 HB3 0.07 -0.02 -0.30 -0.04 2.98 2.70 2f27A1 TYR 354 HD2 0.03 0.12 -0.33 -0.04 7.15 6.93 2f27A1 TYR 354 HE2 -0.00 0.02 -0.20 -0.04 6.85 6.62 2f27A1 GLU 355 H 0.22 0.66 0.25 -0.55 8.60 9.18 2f27A1 GLU 355 HA 0.03 0.20 0.76 -0.75 4.29 4.52 2f27A1 GLU 355 HB2 0.13 -0.19 0.20 -0.04 2.09 2.19 2f27A1 GLU 355 HB3 0.12 0.02 0.13 -0.04 1.99 2.22 2f27A1 GLU 355 HG2 0.12 0.05 0.06 -0.04 2.34 2.53 2f27A1 GLU 355 HG3 0.20 0.19 0.15 -0.04 2.34 2.84 2f27A1 ALA 356 H -0.04 0.74 0.40 -0.55 8.40 8.95 2f27A1 ALA 356 HA 0.01 0.23 0.86 -0.75 4.34 4.69 2f27A1 ALA 356 HB3 0.02 0.01 -0.06 -0.04 1.41 1.35 2f27A1 ASN 357 H -0.03 0.50 0.20 -0.55 8.53 8.66 2f27A1 ASN 357 HA -0.04 0.01 0.41 -0.75 4.76 4.38 2f27A1 ASN 357 HB2 -0.01 0.06 -0.13 -0.04 2.88 2.75 2f27A1 ASN 357 HB3 -0.01 0.04 0.15 -0.04 2.79 2.93 2f27A1 ASN 357 HD21 0.01 0.07 0.05 -0.04 7.03 7.12 2f27A1 ASN 357 HD22 -0.01 -0.05 0.19 -0.04 7.74 7.83 2f27A1 ASP 358 H -0.18 0.08 -0.06 -0.55 8.40 7.69 2f27A1 ASP 358 HA -0.29 0.02 0.26 -0.75 4.63 3.87 2f27A1 ASP 358 HB2 -0.03 -0.07 -0.10 -0.04 2.71 2.47 2f27A1 ASP 358 HB3 0.00 0.20 0.10 -0.04 2.70 2.96 2f27A1 TYR 359 H -0.41 0.02 -0.41 -0.55 8.29 6.94 2f27A1 TYR 359 HA 0.01 -0.01 0.28 -0.75 4.56 4.08 2f27A1 TYR 359 HB2 -0.01 0.19 0.05 -0.04 3.06 3.25 2f27A1 TYR 359 HB3 -0.02 0.01 0.15 -0.04 2.98 3.08 2f27A1 TYR 359 HD2 -0.03 0.07 -0.15 -0.04 7.15 7.00 2f27A1 TYR 359 HE2 -0.03 -0.02 -0.01 -0.04 6.85 6.74 2f27A1 GLU 360 H 0.01 0.38 -0.19 -0.55 8.60 8.26 2f27A1 GLU 360 HA 0.08 0.12 0.88 -0.75 4.29 4.62 2f27A1 GLU 360 HB2 0.02 0.22 0.16 -0.04 2.09 2.44 2f27A1 GLU 360 HB3 0.04 -0.10 0.17 -0.04 1.99 2.05 2f27A1 GLU 360 HG2 0.05 -0.08 0.06 -0.04 2.34 2.34 2f27A1 GLU 360 HG3 0.06 0.12 -0.15 -0.04 2.34 2.33 2f27A1 GLU 361 H 0.03 0.27 0.08 -0.55 8.60 8.44 2f27A1 GLU 361 HA 0.06 0.14 0.45 -0.75 4.29 4.19 2f27A1 GLU 361 HB2 -0.03 0.08 0.15 -0.04 2.09 2.26 2f27A1 GLU 361 HB3 0.01 0.09 -0.03 -0.04 1.99 2.02 2f27A1 GLU 361 HG2 -0.02 -0.01 -0.22 -0.04 2.34 2.05 2f27A1 GLU 361 HG3 -0.07 -0.06 -0.28 -0.04 2.34 1.88 2f27A1 ILE 362 H 0.03 0.58 0.24 -0.55 8.25 8.55 2f27A1 ILE 362 HA -0.05 0.24 0.87 -0.75 4.18 4.49 2f27A1 ILE 362 HB 0.28 -0.08 0.01 -0.04 1.89 2.06 2f27A1 ILE 362 HG12 0.07 -0.01 -0.22 -0.04 1.49 1.29 2f27A1 ILE 362 HG13 0.10 0.00 -0.50 -0.04 1.21 0.77 2f27A1 ILE 362 HG23 0.11 0.00 -0.30 -0.04 0.93 0.71 2f27A1 ILE 362 HD13 -0.06 -0.01 -0.43 -0.04 0.88 0.34 2f27A1 VAL 363 H -0.44 0.81 0.29 -0.55 8.24 8.36 2f27A1 VAL 363 HA -0.15 0.12 1.01 -0.75 4.13 4.35 2f27A1 VAL 363 HB -1.30 0.03 0.00 -0.04 2.12 0.81 2f27A1 VAL 363 HG13 -0.03 -0.00 -0.30 -0.04 0.97 0.60 2f27A1 VAL 363 HG23 -0.21 -0.02 -0.20 -0.04 0.95 0.48 2f27A1 PHE 364 H 0.07 0.88 0.41 -0.55 8.34 9.14 2f27A1 PHE 364 HA 0.08 0.26 1.03 -0.75 4.62 5.24 2f27A1 PHE 364 HB2 -0.16 -0.04 -0.02 -0.04 3.15 2.89 2f27A1 PHE 364 HB3 0.06 0.01 0.14 -0.04 3.06 3.22 2f27A1 PHE 364 HD2 0.34 -0.01 -0.20 -0.04 7.28 7.37 2f27A1 PHE 364 HE2 0.27 -0.06 -0.18 -0.04 7.38 7.37 2f27A1 PHE 364 HZ 0.18 -0.00 -0.19 -0.04 7.32 7.27 2f27A1 LEU 365 H -0.22 0.95 0.40 -0.55 8.37 8.96 2f27A1 LEU 365 HA -0.11 0.31 1.02 -0.75 4.35 4.81 2f27A1 LEU 365 HB2 0.24 -0.00 -0.06 -0.04 1.64 1.77 2f27A1 LEU 365 HB3 0.20 -0.06 -0.07 -0.04 1.64 1.67 2f27A1 LEU 365 HG 0.09 0.03 -0.04 -0.04 1.64 1.68 2f27A1 LEU 365 HD13 0.15 0.02 0.00 -0.04 0.93 1.06 2f27A1 LEU 365 HD23 -0.02 0.02 -0.17 -0.04 0.89 0.68 2f27A1 MET 366 H -0.07 0.61 0.31 -0.55 8.47 8.77 2f27A1 MET 366 HA -0.18 0.37 1.08 -0.75 4.52 5.04 2f27A1 MET 366 HB2 -0.08 -0.05 -0.12 -0.04 2.15 1.86 2f27A1 MET 366 HB3 0.08 -0.06 0.07 -0.04 2.03 2.09 2f27A1 MET 366 HG2 0.09 -0.07 -0.20 -0.04 2.63 2.41 2f27A1 MET 366 HG3 0.00 0.21 0.02 -0.04 2.56 2.75 2f27A1 MET 366 HE3 0.31 -0.02 -0.29 -0.04 2.10 2.05 2f27A1 PHE 367 H -0.35 0.62 0.32 -0.55 8.34 8.38 2f27A1 PHE 367 HA 0.02 -0.02 0.72 -0.75 4.62 4.58 2f27A1 PHE 367 HB2 0.02 0.03 0.10 -0.04 3.15 3.25 2f27A1 PHE 367 HB3 -0.00 0.07 -0.17 -0.04 3.06 2.92 2f27A1 PHE 367 HD2 0.05 0.02 -0.43 -0.04 7.28 6.88 2f27A1 PHE 367 HE2 -0.03 0.01 -0.27 -0.04 7.38 7.04 2f27A1 PHE 367 HZ -0.08 0.01 -0.24 -0.04 7.32 6.97 2f27A1 THR 368 H 0.20 0.14 0.20 -0.55 8.28 8.27 2f27A1 THR 368 HA -0.07 0.42 1.11 -0.75 4.39 5.10 2f27A1 THR 368 HB -0.07 0.06 0.00 -0.04 4.32 4.27 2f27A1 THR 368 HG23 -0.06 -0.01 -0.06 -0.04 1.22 1.05 2f27A1 LEU 369 H 0.06 0.53 0.13 -0.55 8.37 8.54 2f27A1 LEU 369 HA 0.50 0.08 0.32 -0.75 4.35 4.50 2f27A1 LEU 369 HB2 0.31 0.06 0.08 -0.04 1.64 2.05 2f27A1 LEU 369 HB3 0.30 -0.04 0.05 -0.04 1.64 1.91 2f27A1 LEU 369 HG 0.66 0.04 -0.14 -0.04 1.64 2.16 2f27A1 LEU 369 HD13 0.62 -0.00 -0.05 -0.04 0.93 1.45 2f27A1 LEU 369 HD23 0.65 0.02 -0.03 -0.04 0.89 1.49 2f27A1 LYS 370 H -0.04 0.01 -0.25 -0.55 8.42 7.58 2f27A1 LYS 370 HA -0.33 0.15 0.22 -0.75 4.32 3.60 2f27A1 LYS 370 HB2 -0.33 -0.08 0.02 -0.04 1.87 1.44 2f27A1 LYS 370 HB3 -0.17 -0.00 -0.07 -0.04 1.79 1.50 2f27A1 LYS 370 HG2 -1.12 0.03 -0.02 -0.04 1.46 0.32 2f27A1 LYS 370 HG3 -0.33 0.05 -0.02 -0.04 1.46 1.12 2f27A1 LYS 370 HD2 -0.13 0.00 -0.17 -0.04 1.69 1.35 2f27A1 LYS 370 HD3 -0.18 0.01 0.03 -0.04 1.68 1.50 2f27A1 LYS 370 HE2 -0.03 0.00 -0.01 -0.04 2.99 2.91 2f27A1 LYS 370 HE3 -0.09 -0.01 0.01 -0.04 2.99 2.87 2f27A1 GLN 371 H 0.03 -0.06 -0.33 -0.55 8.47 7.56 2f27A1 GLN 371 HA -0.02 0.09 0.39 -0.75 4.36 4.06 2f27A1 GLN 371 HB2 0.11 -0.04 0.15 -0.04 2.15 2.33 2f27A1 GLN 371 HB3 0.00 0.22 0.03 -0.04 2.02 2.24 2f27A1 GLN 371 HG2 -0.01 0.08 0.00 -0.04 2.40 2.44 2f27A1 GLN 371 HG3 0.01 -0.16 0.04 -0.04 2.39 2.24 2f27A1 GLN 371 HE21 0.05 -0.03 -0.28 -0.04 6.97 6.67 2f27A1 GLN 371 HE22 0.01 0.04 -0.11 -0.04 7.69 7.59 2f27A1 ALA 372 H 0.12 0.36 -0.17 -0.55 8.40 8.16 2f27A1 ALA 372 HA -0.29 0.10 0.48 -0.75 4.34 3.88 2f27A1 ALA 372 HB3 -0.17 -0.03 -0.06 -0.04 1.41 1.12 2f27A1 PHE 373 H 0.22 0.70 -0.15 -0.55 8.34 8.55 2f27A1 PHE 373 HA 0.09 0.18 0.84 -0.75 4.62 4.97 2f27A1 PHE 373 HB2 0.27 0.02 0.12 -0.04 3.15 3.51 2f27A1 PHE 373 HB3 0.17 -0.08 0.10 -0.04 3.06 3.20 2f27A1 PHE 373 HD2 0.14 -0.04 -0.07 -0.04 7.28 7.27 2f27A1 PHE 373 HE2 0.08 0.06 -0.15 -0.04 7.38 7.33 2f27A1 PHE 373 HZ 0.07 0.14 -0.32 -0.04 7.32 7.17 2f27A1 PRO 374 HA 0.20 0.03 0.50 -0.51 4.44 4.66 2f27A1 PRO 374 HB2 0.07 -0.05 0.02 -0.04 2.28 2.28 2f27A1 PRO 374 HB3 0.03 0.17 0.13 -0.04 2.02 2.31 2f27A1 PRO 374 HG2 0.06 -0.06 0.03 -0.04 2.03 2.01 2f27A1 PRO 374 HG3 0.01 0.06 0.03 -0.04 2.03 2.09 2f27A1 PRO 374 HD2 0.01 0.15 -0.07 -0.04 3.68 3.73 2f27A1 PRO 374 HD3 -0.01 0.34 -0.37 -0.04 3.65 3.57 2f27A1 ALA 375 H 0.18 0.15 -0.27 -0.55 8.40 7.91 2f27A1 ALA 375 HA 0.12 0.08 0.35 -0.75 4.34 4.13 2f27A1 ALA 375 HB3 0.11 0.00 0.03 -0.04 1.41 1.51 2f27A1 GLU 376 H 0.30 0.31 -0.53 -0.55 8.60 8.14 2f27A1 GLU 376 HA 0.12 0.06 0.46 -0.75 4.29 4.18 2f27A1 GLU 376 HB2 0.32 0.03 0.06 -0.04 2.09 2.46 2f27A1 GLU 376 HB3 0.26 -0.01 -0.08 -0.04 1.99 2.11 2f27A1 GLU 376 HG2 0.59 -0.04 -0.00 -0.04 2.34 2.84 2f27A1 GLU 376 HG3 0.31 0.00 0.07 -0.04 2.34 2.68 2f27A1 TYR 377 H 0.34 0.51 -0.49 -0.55 8.29 8.10 2f27A1 TYR 377 HA 0.09 0.19 0.69 -0.75 4.56 4.77 2f27A1 TYR 377 HB2 0.08 0.11 0.11 -0.04 3.06 3.33 2f27A1 TYR 377 HB3 0.06 -0.05 0.05 -0.04 2.98 3.00 2f27A1 TYR 377 HD2 0.11 0.05 -0.10 -0.04 7.15 7.17 2f27A1 TYR 377 HE2 0.14 0.02 -0.16 -0.04 6.85 6.80