============================================================================= 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 76.161 11.065 21.553 -99.200 -91.000 HIS 18 0.900 83.660 2.847 18.296 -99.200 -91.000 TYR 20 0.840 79.779 8.054 18.566 -99.200 -91.000 TYR 27 0.840 62.744 18.095 30.843 -99.200 -91.000 PHE 37 1.000 69.083 6.748 26.053 -99.200 -91.000 HIS 48 0.900 80.203 -1.645 8.429 -99.200 -91.000 TYR 59 0.840 67.417 24.837 31.814 -99.200 -91.000 HIS 64 0.900 69.846 31.713 29.853 -99.200 -91.000 TRP 68 1.040 74.659 18.041 26.659 -99.200 -91.000 TRP6 68 1.020 72.788 16.597 26.531 -99.200 -91.000 HIS 82 0.900 71.034 -11.281 18.004 -99.200 -91.000 TYR 91 0.840 60.944 8.827 34.522 -99.200 -91.000 PHE 99 1.000 59.574 0.499 30.879 -99.200 -91.000 PHE 101 1.000 60.134 0.061 25.407 -99.200 -91.000 PHE 102 1.000 68.145 -3.060 23.036 -99.200 -91.000 HIS 132 0.900 66.011 9.572 37.254 -99.200 -91.000 TRP 136 1.040 71.023 1.663 31.421 -99.200 -91.000 TRP6 136 1.020 68.944 2.485 30.649 -99.200 -91.000 TYR 151 0.840 60.239 -12.606 14.331 -99.200 -91.000 TRP 154 1.040 54.873 -7.755 11.077 -99.200 -91.000 TRP6 154 1.020 55.295 -7.013 13.282 -99.200 -91.000 PHE 157 1.000 60.697 -6.110 14.864 -99.200 -91.000 HIS 163 0.900 59.676 11.872 21.532 -99.200 -91.000 TYR 179 0.840 60.096 1.138 10.227 -99.200 -91.000 TYR 181 0.840 60.303 -2.622 5.129 -99.200 -91.000 HIS 185 0.900 50.487 -9.887 -4.867 -99.200 -91.000 PHE 195 1.000 53.711 -2.066 14.693 -99.200 -91.000 PHE 197 1.000 55.742 -3.613 18.946 -99.200 -91.000 HIS 200 0.900 46.372 -0.551 27.116 -99.200 -91.000 HIS 202 0.900 52.029 1.767 35.020 -99.200 -91.000 TRP 206 1.040 55.381 -4.509 26.127 -99.200 -91.000 TRP6 206 1.020 55.357 -2.182 25.727 -99.200 -91.000 HIS 210 0.900 43.598 -2.975 15.078 -99.200 -91.000 PHE 211 1.000 50.862 -3.462 10.772 -99.200 -91.000 HIS 239 0.900 56.717 5.418 -1.344 -99.200 -91.000 PHE 255 1.000 47.885 5.547 15.410 -99.200 -91.000 PHE 279 1.000 54.310 23.759 21.886 -99.200 -91.000 TRP 288 1.040 48.956 25.725 20.213 -99.200 -91.000 TRP6 288 1.020 49.887 27.885 19.938 -99.200 -91.000 TYR 291 0.840 57.731 17.438 10.968 -99.200 -91.000 HIS 293 0.900 61.585 15.615 7.421 -99.200 -91.000 HIS 296 0.900 67.771 20.729 -0.624 -99.200 -91.000 TRP 298 1.040 65.626 19.392 -5.389 -99.200 -91.000 TRP6 298 1.020 64.410 18.138 -6.976 -99.200 -91.000 TYR 306 0.840 58.211 21.979 8.787 -99.200 -91.000 TRP 317 1.040 51.318 19.940 10.458 -99.200 -91.000 TRP6 317 1.020 52.718 19.891 12.367 -99.200 -91.000 TYR 330 0.840 66.939 8.778 10.731 -99.200 -91.000 PHE 346 1.000 59.211 23.812 22.056 -99.200 -91.000 TYR 350 0.840 70.933 19.632 14.170 -99.200 -91.000 TYR 355 0.840 73.844 10.728 7.487 -99.200 -91.000 PHE 360 1.000 70.486 20.241 23.937 -99.200 -91.000 PHE 363 1.000 63.998 25.058 19.190 -99.200 -91.000 PHE 369 1.000 57.285 28.321 14.683 -99.200 -91.000 TYR 373 0.840 54.894 33.932 22.778 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2f27B1 MET 1 HA -0.02 0.02 0.12 -0.75 4.52 3.88 2f27B1 MET 1 HB2 -0.01 -0.03 0.10 -0.04 2.15 2.17 2f27B1 MET 1 HB3 -0.01 -0.02 0.05 -0.04 2.03 2.01 2f27B1 MET 1 HG2 -0.01 -0.01 -0.03 -0.04 2.63 2.54 2f27B1 MET 1 HG3 -0.01 -0.01 -0.18 -0.04 2.56 2.31 2f27B1 MET 1 HE3 -0.00 -0.01 -0.01 -0.04 2.10 2.04 2f27B1 ALA 2 H -0.02 0.15 0.08 -0.55 8.40 8.06 2f27B1 ALA 2 HA -0.02 -0.04 0.48 -0.75 4.34 4.01 2f27B1 ALA 2 HB3 -0.02 -0.01 0.09 -0.04 1.41 1.43 2f27B1 SER 3 H -0.03 -0.03 0.08 -0.55 8.46 7.93 2f27B1 SER 3 HA -0.07 0.11 0.32 -0.75 4.49 4.09 2f27B1 SER 3 HB2 -0.09 0.10 -0.39 -0.04 3.95 3.54 2f27B1 SER 3 HB3 -0.05 -0.20 -0.09 -0.04 3.93 3.55 2f27B1 LEU 4 H -0.13 0.49 0.19 -0.55 8.37 8.37 2f27B1 LEU 4 HA -0.09 0.10 0.40 -0.75 4.35 4.00 2f27B1 LEU 4 HB2 -0.20 0.08 0.04 -0.04 1.64 1.51 2f27B1 LEU 4 HB3 -0.22 -0.10 0.05 -0.04 1.64 1.33 2f27B1 LEU 4 HG -0.11 0.14 -0.44 -0.04 1.64 1.19 2f27B1 LEU 4 HD13 -0.13 0.06 -0.03 -0.04 0.93 0.78 2f27B1 LEU 4 HD23 -0.33 -0.06 -0.24 -0.04 0.89 0.21 2f27B1 PRO 5 HA -0.01 0.02 0.54 -0.51 4.44 4.48 2f27B1 PRO 5 HB2 0.00 0.01 0.04 -0.04 2.28 2.29 2f27B1 PRO 5 HB3 -0.01 -0.00 0.10 -0.04 2.02 2.07 2f27B1 PRO 5 HG2 -0.02 0.00 0.16 -0.04 2.03 2.13 2f27B1 PRO 5 HG3 -0.02 0.00 0.09 -0.04 2.03 2.07 2f27B1 PRO 5 HD2 -0.06 0.08 0.21 -0.04 3.68 3.88 2f27B1 PRO 5 HD3 -0.04 0.21 0.16 -0.04 3.65 3.93 2f27B1 VAL 6 H 0.02 0.13 0.17 -0.55 8.24 8.00 2f27B1 VAL 6 HA 0.08 0.13 0.93 -0.75 4.13 4.51 2f27B1 VAL 6 HB 0.14 0.12 0.18 -0.04 2.12 2.52 2f27B1 VAL 6 HG13 -0.06 0.05 -0.22 -0.04 0.97 0.70 2f27B1 VAL 6 HG23 0.04 -0.00 -0.12 -0.04 0.95 0.82 2f27B1 LEU 7 H 0.14 0.33 0.42 -0.55 8.37 8.71 2f27B1 LEU 7 HA 0.12 0.07 0.54 -0.75 4.35 4.32 2f27B1 LEU 7 HB2 0.14 0.05 0.04 -0.04 1.64 1.82 2f27B1 LEU 7 HB3 0.21 0.15 0.08 -0.04 1.64 2.03 2f27B1 LEU 7 HG 0.09 -0.14 0.07 -0.04 1.64 1.61 2f27B1 LEU 7 HD13 0.08 -0.01 -0.07 -0.04 0.93 0.89 2f27B1 LEU 7 HD23 0.03 0.01 0.01 -0.04 0.89 0.91 2f27B1 GLN 8 H 0.10 0.33 0.17 -0.55 8.47 8.51 2f27B1 GLN 8 HA 0.10 0.15 0.63 -0.75 4.36 4.48 2f27B1 GLN 8 HB2 0.16 0.19 -0.20 -0.04 2.15 2.26 2f27B1 GLN 8 HB3 0.18 -0.11 -0.05 -0.04 2.02 2.00 2f27B1 GLN 8 HG2 0.29 -0.02 -0.21 -0.04 2.40 2.42 2f27B1 GLN 8 HG3 0.16 0.03 0.06 -0.04 2.39 2.60 2f27B1 GLN 8 HE21 0.13 0.23 0.06 -0.04 6.97 7.36 2f27B1 GLN 8 HE22 0.16 0.01 0.00 -0.04 7.69 7.82 2f27B1 LYS 9 H 0.10 0.26 0.07 -0.55 8.42 8.30 2f27B1 LYS 9 HA 0.06 0.38 0.85 -0.75 4.32 4.85 2f27B1 LYS 9 HB2 0.05 0.06 -0.05 -0.04 1.87 1.89 2f27B1 LYS 9 HB3 0.05 -0.03 0.09 -0.04 1.79 1.86 2f27B1 LYS 9 HG2 0.05 -0.06 -0.22 -0.04 1.46 1.19 2f27B1 LYS 9 HG3 0.08 0.03 -0.05 -0.04 1.46 1.48 2f27B1 LYS 9 HD2 0.06 0.08 -0.02 -0.04 1.69 1.77 2f27B1 LYS 9 HD3 0.04 -0.01 -0.02 -0.04 1.68 1.64 2f27B1 LYS 9 HE2 0.05 -0.04 -0.07 -0.04 2.99 2.89 2f27B1 LYS 9 HE3 0.12 -0.01 -0.08 -0.04 2.99 2.97 2f27B1 GLU 10 H 0.13 0.60 0.30 -0.55 8.60 9.09 2f27B1 GLU 10 HA 0.05 0.13 0.80 -0.75 4.29 4.51 2f27B1 GLU 10 HB2 0.14 0.07 -0.07 -0.04 2.09 2.19 2f27B1 GLU 10 HB3 0.28 -0.03 -0.05 -0.04 1.99 2.15 2f27B1 GLU 10 HG2 -0.03 -0.05 -0.43 -0.04 2.34 1.80 2f27B1 GLU 10 HG3 0.01 0.00 -0.02 -0.04 2.34 2.29 2f27B1 SER 11 H -0.03 0.18 0.14 -0.55 8.46 8.21 2f27B1 SER 11 HA -0.11 0.09 0.77 -0.75 4.49 4.48 2f27B1 SER 11 HB2 -0.06 -0.00 0.14 -0.04 3.95 3.99 2f27B1 SER 11 HB3 -0.08 0.09 -0.01 -0.04 3.93 3.88 2f27B1 VAL 12 H -0.26 0.46 0.37 -0.55 8.24 8.26 2f27B1 VAL 12 HA -0.52 0.18 0.77 -0.75 4.13 3.80 2f27B1 VAL 12 HB -1.22 -0.01 -0.04 -0.04 2.12 0.81 2f27B1 VAL 12 HG13 -1.32 0.00 -0.17 -0.04 0.97 -0.56 2f27B1 VAL 12 HG23 -0.42 0.00 -0.14 -0.04 0.95 0.35 2f27B1 PHE 13 H -0.16 0.32 0.16 -0.55 8.34 8.11 2f27B1 PHE 13 HA -0.35 0.17 0.68 -0.75 4.62 4.37 2f27B1 PHE 13 HB2 -0.16 -0.10 -0.07 -0.04 3.15 2.78 2f27B1 PHE 13 HB3 -0.38 0.03 -0.16 -0.04 3.06 2.51 2f27B1 PHE 13 HD2 -0.43 -0.04 -0.18 -0.04 7.28 6.59 2f27B1 PHE 13 HE2 -0.16 -0.03 -0.32 -0.04 7.38 6.82 2f27B1 PHE 13 HZ -0.12 0.07 -0.35 -0.04 7.32 6.88 2f27B1 GLN 14 H -0.12 0.28 0.08 -0.55 8.47 8.17 2f27B1 GLN 14 HA 0.06 0.20 0.94 -0.75 4.36 4.81 2f27B1 GLN 14 HB2 0.01 -0.05 -0.03 -0.04 2.15 2.04 2f27B1 GLN 14 HB3 0.03 0.15 0.06 -0.04 2.02 2.22 2f27B1 GLN 14 HG2 -0.01 0.02 -0.01 -0.04 2.40 2.35 2f27B1 GLN 14 HG3 -0.06 -0.08 -0.45 -0.04 2.39 1.76 2f27B1 GLN 14 HE21 -0.01 -0.03 -0.01 -0.04 6.97 6.88 2f27B1 GLN 14 HE22 -0.01 0.00 -0.00 -0.04 7.69 7.64 2f27B1 SER 15 H 0.12 0.57 0.28 -0.55 8.46 8.88 2f27B1 SER 15 HA 0.24 0.13 0.56 -0.75 4.49 4.67 2f27B1 SER 15 HB2 0.07 -0.03 0.18 -0.04 3.95 4.13 2f27B1 SER 15 HB3 0.07 0.03 0.04 -0.04 3.93 4.03 2f27B1 GLY 16 H 0.12 0.56 0.10 -0.55 8.43 8.66 2f27B1 GLY 16 HA2 0.05 0.08 0.49 -0.51 4.01 4.12 2f27B1 GLY 16 HA3 0.09 -0.04 0.41 -0.51 4.01 3.96 2f27B1 ALA 17 H 0.03 0.14 0.17 -0.55 8.40 8.19 2f27B1 ALA 17 HA -0.13 0.09 0.54 -0.75 4.34 4.09 2f27B1 ALA 17 HB3 -0.21 -0.00 0.10 -0.04 1.41 1.26 2f27B1 HIS 18 H 0.05 0.00 -0.07 -0.55 8.41 7.85 2f27B1 HIS 18 HA -0.11 0.30 0.86 -0.75 4.63 4.92 2f27B1 HIS 18 HB2 -0.40 -0.08 -0.10 -0.04 3.26 2.64 2f27B1 HIS 18 HB3 -0.35 0.24 0.07 -0.04 3.20 3.11 2f27B1 HIS 18 HD2 0.07 -0.05 -0.09 -0.04 6.97 6.85 2f27B1 HIS 18 HE1 -0.04 -0.01 -0.09 -0.04 7.75 7.57 2f27B1 ALA 19 H -0.13 0.70 0.14 -0.55 8.40 8.56 2f27B1 ALA 19 HA -0.00 0.09 0.71 -0.75 4.34 4.39 2f27B1 ALA 19 HB3 -0.04 0.03 -0.24 -0.04 1.41 1.12 2f27B1 TYR 20 H 0.12 0.26 -0.01 -0.55 8.29 8.11 2f27B1 TYR 20 HA -0.10 0.44 1.01 -0.75 4.56 5.16 2f27B1 TYR 20 HB2 -0.01 -0.08 -0.22 -0.04 3.06 2.71 2f27B1 TYR 20 HB3 -0.27 0.01 -0.21 -0.04 2.98 2.47 2f27B1 TYR 20 HD2 -0.15 0.01 -0.43 -0.04 7.15 6.53 2f27B1 TYR 20 HE2 0.02 0.01 -0.14 -0.04 6.85 6.70 2f27B1 ARG 21 H -0.05 0.54 0.24 -0.55 8.46 8.64 2f27B1 ARG 21 HA 0.03 0.12 0.69 -0.75 4.34 4.44 2f27B1 ARG 21 HB2 -0.10 0.04 -0.05 -0.04 1.90 1.75 2f27B1 ARG 21 HB3 -0.14 -0.08 0.11 -0.04 1.80 1.65 2f27B1 ARG 21 HG2 0.07 0.04 0.06 -0.04 1.67 1.80 2f27B1 ARG 21 HG3 -0.06 0.02 -0.26 -0.04 1.67 1.33 2f27B1 ARG 21 HD2 -0.60 -0.01 0.01 -0.04 3.22 2.58 2f27B1 ARG 21 HD3 -0.31 0.08 -0.01 -0.04 3.22 2.95 2f27B1 ILE 22 H -0.05 0.07 0.14 -0.55 8.25 7.87 2f27B1 ILE 22 HA 0.11 0.05 0.40 -0.75 4.18 3.99 2f27B1 ILE 22 HB 0.01 0.03 0.25 -0.04 1.89 2.14 2f27B1 ILE 22 HG12 -0.10 -0.11 -0.44 -0.04 1.49 0.80 2f27B1 ILE 22 HG13 -0.05 0.00 -0.01 -0.04 1.21 1.11 2f27B1 ILE 22 HG23 0.15 0.01 0.07 -0.04 0.93 1.12 2f27B1 ILE 22 HD13 -0.32 0.01 0.08 -0.04 0.88 0.61 2f27B1 PRO 23 HA 0.13 0.42 0.57 -0.51 4.44 5.05 2f27B1 PRO 23 HB2 0.20 -0.00 -0.19 -0.04 2.28 2.25 2f27B1 PRO 23 HB3 0.15 -0.03 -0.15 -0.04 2.02 1.95 2f27B1 PRO 23 HG2 0.23 0.07 -0.31 -0.04 2.03 1.98 2f27B1 PRO 23 HG3 0.20 0.03 -0.35 -0.04 2.03 1.87 2f27B1 PRO 23 HD2 0.26 0.03 0.08 -0.04 3.68 4.00 2f27B1 PRO 23 HD3 0.14 0.01 -0.04 -0.04 3.65 3.72 2f27B1 ALA 24 H 0.26 0.47 0.24 -0.55 8.40 8.82 2f27B1 ALA 24 HA 0.27 0.05 0.64 -0.75 4.34 4.54 2f27B1 ALA 24 HB3 0.25 0.03 -0.07 -0.04 1.41 1.59 2f27B1 LEU 25 H 0.32 0.19 0.16 -0.55 8.37 8.49 2f27B1 LEU 25 HA 0.33 0.30 1.02 -0.75 4.35 5.25 2f27B1 LEU 25 HB2 0.30 -0.03 -0.19 -0.04 1.64 1.67 2f27B1 LEU 25 HB3 0.25 0.04 -0.18 -0.04 1.64 1.70 2f27B1 LEU 25 HG 0.29 -0.03 -0.32 -0.04 1.64 1.54 2f27B1 LEU 25 HD13 0.39 0.02 -0.20 -0.04 0.93 1.09 2f27B1 LEU 25 HD23 0.37 -0.01 -0.37 -0.04 0.89 0.84 2f27B1 LEU 26 H 0.31 0.40 0.21 -0.55 8.37 8.75 2f27B1 LEU 26 HA 0.27 0.18 0.93 -0.75 4.35 4.98 2f27B1 LEU 26 HB2 0.40 0.04 -0.19 -0.04 1.64 1.84 2f27B1 LEU 26 HB3 0.38 -0.03 0.07 -0.04 1.64 2.02 2f27B1 LEU 26 HG 0.20 0.05 -0.39 -0.04 1.64 1.45 2f27B1 LEU 26 HD13 0.31 -0.00 -0.00 -0.04 0.93 1.19 2f27B1 LEU 26 HD23 0.36 -0.03 -0.23 -0.04 0.89 0.95 2f27B1 TYR 27 H 0.27 0.20 0.15 -0.55 8.29 8.35 2f27B1 TYR 27 HA 0.03 0.21 0.84 -0.75 4.56 4.88 2f27B1 TYR 27 HB2 0.06 -0.05 -0.06 -0.04 3.06 2.97 2f27B1 TYR 27 HB3 0.05 0.02 0.16 -0.04 2.98 3.17 2f27B1 TYR 27 HD2 -0.01 -0.00 -0.12 -0.04 7.15 6.98 2f27B1 TYR 27 HE2 -0.07 -0.02 -0.19 -0.04 6.85 6.53 2f27B1 LEU 28 H -0.50 0.83 0.28 -0.55 8.37 8.43 2f27B1 LEU 28 HA -0.40 0.18 0.83 -0.75 4.35 4.21 2f27B1 LEU 28 HB2 -0.44 -0.02 0.17 -0.04 1.64 1.31 2f27B1 LEU 28 HB3 -0.57 -0.08 0.04 -0.04 1.64 1.00 2f27B1 LEU 28 HG -0.20 0.08 -0.25 -0.04 1.64 1.24 2f27B1 LEU 28 HD13 -0.41 -0.00 -0.12 -0.04 0.93 0.35 2f27B1 LEU 28 HD23 -0.58 0.02 -0.14 -0.04 0.89 0.15 2f27B1 PRO 29 HA -0.39 0.10 0.42 -0.51 4.44 4.06 2f27B1 PRO 29 HB2 0.02 0.06 -0.01 -0.04 2.28 2.32 2f27B1 PRO 29 HB3 0.11 0.07 0.08 -0.04 2.02 2.25 2f27B1 PRO 29 HG2 0.03 -0.06 0.12 -0.04 2.03 2.08 2f27B1 PRO 29 HG3 0.10 0.09 0.10 -0.04 2.03 2.28 2f27B1 PRO 29 HD2 -0.13 0.10 0.30 -0.04 3.68 3.91 2f27B1 PRO 29 HD3 -0.08 0.26 0.02 -0.04 3.65 3.81 2f27B1 GLY 30 H -0.12 0.11 -0.13 -0.55 8.43 7.75 2f27B1 GLY 30 HA2 -0.04 0.11 0.42 -0.51 4.01 3.99 2f27B1 GLY 30 HA3 -0.04 0.02 0.27 -0.51 4.01 3.76 2f27B1 GLN 31 H -0.29 0.13 -0.37 -0.55 8.47 7.39 2f27B1 GLN 31 HA -0.14 0.19 0.76 -0.75 4.36 4.41 2f27B1 GLN 31 HB2 -0.38 -0.01 0.05 -0.04 2.15 1.76 2f27B1 GLN 31 HB3 -0.26 0.02 0.00 -0.04 2.02 1.74 2f27B1 GLN 31 HG2 -0.52 -0.11 -0.13 -0.04 2.40 1.61 2f27B1 GLN 31 HG3 -0.88 -0.00 -0.07 -0.04 2.39 1.40 2f27B1 GLN 31 HE21 -0.06 -0.00 -0.04 -0.04 6.97 6.83 2f27B1 GLN 31 HE22 -0.19 -0.00 -0.04 -0.04 7.69 7.41 2f27B1 GLN 32 H -0.29 0.27 -0.02 -0.55 8.47 7.88 2f27B1 GLN 32 HA -0.01 0.00 0.30 -0.75 4.36 3.89 2f27B1 GLN 32 HB2 0.00 0.20 -0.14 -0.04 2.15 2.18 2f27B1 GLN 32 HB3 0.12 -0.08 0.25 -0.04 2.02 2.27 2f27B1 GLN 32 HG2 0.08 -0.01 0.05 -0.04 2.40 2.48 2f27B1 GLN 32 HG3 -0.00 0.14 -0.10 -0.04 2.39 2.38 2f27B1 GLN 32 HE21 0.05 -0.05 -0.00 -0.04 6.97 6.92 2f27B1 GLN 32 HE22 0.04 0.02 0.00 -0.04 7.69 7.71 2f27B1 SER 33 H -0.35 0.22 -0.03 -0.55 8.46 7.76 2f27B1 SER 33 HA -0.13 0.17 1.02 -0.75 4.49 4.80 2f27B1 SER 33 HB2 -0.26 -0.13 -0.06 -0.04 3.95 3.46 2f27B1 SER 33 HB3 -0.19 0.07 0.02 -0.04 3.93 3.79 2f27B1 LEU 34 H -0.25 0.87 0.40 -0.55 8.37 8.84 2f27B1 LEU 34 HA 0.07 0.28 1.04 -0.75 4.35 4.98 2f27B1 LEU 34 HB2 -0.37 -0.04 -0.01 -0.04 1.64 1.19 2f27B1 LEU 34 HB3 0.20 -0.01 -0.14 -0.04 1.64 1.65 2f27B1 LEU 34 HG 0.15 -0.02 -0.42 -0.04 1.64 1.31 2f27B1 LEU 34 HD13 0.04 -0.00 -0.22 -0.04 0.93 0.71 2f27B1 LEU 34 HD23 0.29 0.01 -0.25 -0.04 0.89 0.90 2f27B1 LEU 35 H 0.17 0.54 0.28 -0.55 8.37 8.81 2f27B1 LEU 35 HA 0.06 0.23 0.96 -0.75 4.35 4.85 2f27B1 LEU 35 HB2 0.26 -0.05 0.11 -0.04 1.64 1.92 2f27B1 LEU 35 HB3 -0.16 0.02 -0.08 -0.04 1.64 1.38 2f27B1 LEU 35 HG 0.04 -0.02 -0.24 -0.04 1.64 1.38 2f27B1 LEU 35 HD13 0.26 -0.02 -0.21 -0.04 0.93 0.91 2f27B1 LEU 35 HD23 0.00 0.06 -0.13 -0.04 0.89 0.78 2f27B1 ALA 36 H 0.15 0.76 0.27 -0.55 8.40 9.02 2f27B1 ALA 36 HA 0.22 0.26 1.04 -0.75 4.34 5.10 2f27B1 ALA 36 HB3 -0.05 -0.01 -0.01 -0.04 1.41 1.29 2f27B1 PHE 37 H 0.38 0.69 0.35 -0.55 8.34 9.21 2f27B1 PHE 37 HA 0.11 0.32 1.04 -0.75 4.62 5.34 2f27B1 PHE 37 HB2 0.11 -0.02 0.02 -0.04 3.15 3.22 2f27B1 PHE 37 HB3 0.02 0.02 0.05 -0.04 3.06 3.11 2f27B1 PHE 37 HD2 0.08 0.09 -0.17 -0.04 7.28 7.24 2f27B1 PHE 37 HE2 0.12 -0.02 -0.18 -0.04 7.38 7.26 2f27B1 PHE 37 HZ 0.49 -0.05 -0.20 -0.04 7.32 7.52 2f27B1 ALA 38 H 0.05 0.48 0.32 -0.55 8.40 8.70 2f27B1 ALA 38 HA -0.02 0.37 0.45 -0.75 4.34 4.38 2f27B1 ALA 38 HB3 -0.57 -0.00 -0.26 -0.04 1.41 0.54 2f27B1 GLU 39 H -0.06 0.78 0.35 -0.55 8.60 9.13 2f27B1 GLU 39 HA -0.08 0.16 0.88 -0.75 4.29 4.51 2f27B1 GLU 39 HB2 -0.07 -0.00 0.17 -0.04 2.09 2.14 2f27B1 GLU 39 HB3 -0.08 0.00 -0.02 -0.04 1.99 1.86 2f27B1 GLU 39 HG2 -0.04 0.15 0.08 -0.04 2.34 2.49 2f27B1 GLU 39 HG3 -0.01 0.03 0.09 -0.04 2.34 2.41 2f27B1 GLN 40 H -0.13 0.86 0.41 -0.55 8.47 9.07 2f27B1 GLN 40 HA -0.53 0.19 0.78 -0.75 4.36 4.05 2f27B1 GLN 40 HB2 -0.07 -0.05 -0.07 -0.04 2.15 1.93 2f27B1 GLN 40 HB3 -0.21 -0.09 0.11 -0.04 2.02 1.79 2f27B1 GLN 40 HG2 -0.64 0.04 -0.24 -0.04 2.40 1.52 2f27B1 GLN 40 HG3 -0.55 0.02 -0.08 -0.04 2.39 1.74 2f27B1 GLN 40 HE21 -0.01 -0.03 -0.10 -0.04 6.97 6.79 2f27B1 GLN 40 HE22 0.18 0.02 -0.11 -0.04 7.69 7.74 2f27B1 ARG 41 H -0.34 0.80 0.28 -0.55 8.46 8.65 2f27B1 ARG 41 HA -0.10 0.19 1.02 -0.75 4.34 4.70 2f27B1 ARG 41 HB2 -0.08 0.18 -0.09 -0.04 1.90 1.87 2f27B1 ARG 41 HB3 -0.04 0.04 -0.29 -0.04 1.80 1.47 2f27B1 ARG 41 HG2 -0.13 -0.15 -0.71 -0.04 1.67 0.63 2f27B1 ARG 41 HG3 -0.13 0.01 -0.25 -0.04 1.67 1.26 2f27B1 ARG 41 HD2 -0.07 -0.00 -0.13 -0.04 3.22 2.98 2f27B1 ARG 41 HD3 -0.09 -0.06 -0.13 -0.04 3.22 2.90 2f27B1 ALA 42 H -0.01 0.67 0.26 -0.55 8.40 8.77 2f27B1 ALA 42 HA 0.06 0.10 0.60 -0.75 4.34 4.35 2f27B1 ALA 42 HB3 -0.10 -0.01 0.13 -0.04 1.41 1.40 2f27B1 SER 43 H 0.05 0.30 -0.08 -0.55 8.46 8.18 2f27B1 SER 43 HA 0.02 0.18 0.46 -0.75 4.49 4.40 2f27B1 SER 43 HB2 0.09 -0.02 0.14 -0.04 3.95 4.12 2f27B1 SER 43 HB3 0.15 0.12 -0.20 -0.04 3.93 3.96 2f27B1 LYS 44 H 0.00 0.17 0.09 -0.55 8.42 8.12 2f27B1 LYS 44 HA -0.07 0.13 0.34 -0.75 4.32 3.97 2f27B1 LYS 44 HB2 -0.04 -0.04 0.03 -0.04 1.87 1.78 2f27B1 LYS 44 HB3 -0.11 0.01 0.04 -0.04 1.79 1.69 2f27B1 LYS 44 HG2 0.03 0.11 0.01 -0.04 1.46 1.57 2f27B1 LYS 44 HG3 0.02 -0.07 0.05 -0.04 1.46 1.42 2f27B1 LYS 44 HD2 0.05 -0.08 0.01 -0.04 1.69 1.63 2f27B1 LYS 44 HD3 0.13 0.03 -0.00 -0.04 1.68 1.80 2f27B1 LYS 44 HE2 0.09 0.09 -0.05 -0.04 2.99 3.07 2f27B1 LYS 44 HE3 0.05 -0.07 0.01 -0.04 2.99 2.93 2f27B1 LYS 45 H -0.06 -0.01 -0.33 -0.55 8.42 7.46 2f27B1 LYS 45 HA -0.16 0.06 0.39 -0.75 4.32 3.86 2f27B1 LYS 45 HB2 -0.54 0.01 -0.02 -0.04 1.87 1.29 2f27B1 LYS 45 HB3 -0.33 -0.05 -0.01 -0.04 1.79 1.36 2f27B1 LYS 45 HG2 -0.14 0.04 0.00 -0.04 1.46 1.32 2f27B1 LYS 45 HG3 -0.11 -0.06 0.01 -0.04 1.46 1.26 2f27B1 LYS 45 HD2 -0.08 0.04 -0.01 -0.04 1.69 1.60 2f27B1 LYS 45 HD3 -0.28 0.01 -0.03 -0.04 1.68 1.35 2f27B1 LYS 45 HE2 -0.31 -0.04 -0.02 -0.04 2.99 2.58 2f27B1 LYS 45 HE3 -0.13 0.01 -0.00 -0.04 2.99 2.82 2f27B1 ASP 46 H -0.14 0.13 0.17 -0.55 8.40 8.01 2f27B1 ASP 46 HA -0.10 0.16 0.34 -0.75 4.63 4.27 2f27B1 ASP 46 HB2 -0.08 -0.09 0.12 -0.04 2.71 2.62 2f27B1 ASP 46 HB3 -0.06 0.06 0.03 -0.04 2.70 2.70 2f27B1 GLU 47 H -0.14 0.02 -0.15 -0.55 8.60 7.79 2f27B1 GLU 47 HA -0.03 0.18 0.36 -0.75 4.29 4.04 2f27B1 GLU 47 HB2 -0.01 0.18 0.11 -0.04 2.09 2.32 2f27B1 GLU 47 HB3 -0.07 -0.13 0.06 -0.04 1.99 1.82 2f27B1 GLU 47 HG2 -0.36 0.03 -0.26 -0.04 2.34 1.71 2f27B1 GLU 47 HG3 -0.09 0.05 -0.05 -0.04 2.34 2.20 2f27B1 HIS 48 H -0.04 0.35 -0.78 -0.55 8.41 7.41 2f27B1 HIS 48 HA -0.04 0.22 0.79 -0.75 4.63 4.84 2f27B1 HIS 48 HB2 -0.05 0.21 -0.02 -0.04 3.26 3.36 2f27B1 HIS 48 HB3 -0.04 -0.21 0.17 -0.04 3.20 3.07 2f27B1 HIS 48 HD2 -0.03 0.20 -0.35 -0.04 6.97 6.74 2f27B1 HIS 48 HE1 -0.02 0.00 -0.05 -0.04 7.75 7.64 2f27B1 ALA 49 H 0.01 0.35 -0.26 -0.55 8.40 7.95 2f27B1 ALA 49 HA -0.05 -0.05 0.37 -0.75 4.34 3.86 2f27B1 ALA 49 HB3 -0.03 0.03 0.01 -0.04 1.41 1.38 2f27B1 GLU 50 H -0.08 0.23 0.20 -0.55 8.60 8.41 2f27B1 GLU 50 HA -0.03 0.16 0.98 -0.75 4.29 4.64 2f27B1 GLU 50 HB2 -0.13 0.04 0.30 -0.04 2.09 2.26 2f27B1 GLU 50 HB3 -0.07 -0.07 0.08 -0.04 1.99 1.89 2f27B1 GLU 50 HG2 -0.04 0.03 -0.09 -0.04 2.34 2.20 2f27B1 GLU 50 HG3 -0.05 0.10 -0.30 -0.04 2.34 2.06 2f27B1 LEU 51 H -0.13 0.37 0.37 -0.55 8.37 8.43 2f27B1 LEU 51 HA -0.12 0.26 1.04 -0.75 4.35 4.78 2f27B1 LEU 51 HB2 -0.13 -0.05 -0.00 -0.04 1.64 1.42 2f27B1 LEU 51 HB3 -0.12 0.01 0.10 -0.04 1.64 1.59 2f27B1 LEU 51 HG -0.09 -0.08 -0.24 -0.04 1.64 1.19 2f27B1 LEU 51 HD13 -0.07 -0.02 -0.07 -0.04 0.93 0.73 2f27B1 LEU 51 HD23 -0.07 0.07 -0.06 -0.04 0.89 0.79 2f27B1 ILE 52 H -0.17 0.26 0.22 -0.55 8.25 8.00 2f27B1 ILE 52 HA -0.09 0.25 1.10 -0.75 4.18 4.69 2f27B1 ILE 52 HB -0.26 -0.02 0.14 -0.04 1.89 1.71 2f27B1 ILE 52 HG12 -0.11 0.03 -0.19 -0.04 1.49 1.17 2f27B1 ILE 52 HG13 -0.23 -0.01 -0.26 -0.04 1.21 0.67 2f27B1 ILE 52 HG23 0.00 0.01 -0.08 -0.04 0.93 0.83 2f27B1 ILE 52 HD13 -0.35 -0.00 -0.21 -0.04 0.88 0.27 2f27B1 VAL 53 H -0.03 0.66 0.35 -0.55 8.24 8.67 2f27B1 VAL 53 HA 0.03 0.12 1.04 -0.75 4.13 4.57 2f27B1 VAL 53 HB 0.14 -0.00 -0.04 -0.04 2.12 2.18 2f27B1 VAL 53 HG13 0.09 -0.03 -0.25 -0.04 0.97 0.74 2f27B1 VAL 53 HG23 -0.09 0.02 -0.20 -0.04 0.95 0.63 2f27B1 LEU 54 H 0.09 0.51 0.36 -0.55 8.37 8.79 2f27B1 LEU 54 HA -0.01 0.36 0.92 -0.75 4.35 4.88 2f27B1 LEU 54 HB2 -0.18 0.00 -0.19 -0.04 1.64 1.23 2f27B1 LEU 54 HB3 0.06 0.01 -0.07 -0.04 1.64 1.60 2f27B1 LEU 54 HG -0.02 -0.02 -0.45 -0.04 1.64 1.11 2f27B1 LEU 54 HD13 -0.79 -0.00 -0.15 -0.04 0.93 -0.06 2f27B1 LEU 54 HD23 0.27 -0.00 -0.16 -0.04 0.89 0.96 2f27B1 ARG 55 H -0.01 0.52 0.27 -0.55 8.46 8.69 2f27B1 ARG 55 HA 0.05 0.23 0.66 -0.75 4.34 4.53 2f27B1 ARG 55 HB2 -0.20 -0.07 0.02 -0.04 1.90 1.61 2f27B1 ARG 55 HB3 0.08 0.09 -0.11 -0.04 1.80 1.81 2f27B1 ARG 55 HG2 -0.09 0.04 -0.13 -0.04 1.67 1.45 2f27B1 ARG 55 HG3 -0.20 -0.09 -0.32 -0.04 1.67 1.02 2f27B1 ARG 55 HD2 -0.73 0.05 0.02 -0.04 3.22 2.52 2f27B1 ARG 55 HD3 -0.94 -0.08 -0.06 -0.04 3.22 2.11 2f27B1 ARG 56 H 0.09 0.21 0.09 -0.55 8.46 8.30 2f27B1 ARG 56 HA 0.07 0.29 1.09 -0.75 4.34 5.03 2f27B1 ARG 56 HB2 0.01 0.01 0.02 -0.04 1.90 1.90 2f27B1 ARG 56 HB3 -0.01 -0.06 0.10 -0.04 1.80 1.78 2f27B1 ARG 56 HG2 -0.12 0.12 -0.02 -0.04 1.67 1.61 2f27B1 ARG 56 HG3 -0.06 0.00 -0.05 -0.04 1.67 1.53 2f27B1 ARG 56 HD2 -0.07 -0.05 -0.10 -0.04 3.22 2.95 2f27B1 ARG 56 HD3 -0.13 -0.00 -0.19 -0.04 3.22 2.86 2f27B1 GLY 57 H -0.32 0.78 0.36 -0.55 8.43 8.70 2f27B1 GLY 57 HA2 -0.69 0.31 1.02 -0.51 4.01 4.15 2f27B1 GLY 57 HA3 -2.14 -0.04 0.15 -0.51 4.01 1.47 2f27B1 ASP 58 H -0.41 0.59 0.28 -0.55 8.40 8.31 2f27B1 ASP 58 HA -0.20 0.17 1.09 -0.75 4.63 4.95 2f27B1 ASP 58 HB2 -0.16 -0.05 0.14 -0.04 2.71 2.60 2f27B1 ASP 58 HB3 -0.12 0.13 0.04 -0.04 2.70 2.71 2f27B1 TYR 59 H 0.02 0.65 0.35 -0.55 8.29 8.76 2f27B1 TYR 59 HA -0.12 0.04 0.52 -0.75 4.56 4.25 2f27B1 TYR 59 HB2 -0.02 -0.06 -0.04 -0.04 3.06 2.89 2f27B1 TYR 59 HB3 -0.01 0.15 0.16 -0.04 2.98 3.23 2f27B1 TYR 59 HD2 0.01 -0.03 -0.26 -0.04 7.15 6.82 2f27B1 TYR 59 HE2 0.03 0.00 -0.20 -0.04 6.85 6.65 2f27B1 ASP 60 H -0.56 0.65 0.29 -0.55 8.40 8.23 2f27B1 ASP 60 HA -0.18 0.15 0.87 -0.75 4.63 4.72 2f27B1 ASP 60 HB2 -0.18 0.07 0.03 -0.04 2.71 2.59 2f27B1 ASP 60 HB3 -0.26 -0.03 0.20 -0.04 2.70 2.57 2f27B1 ALA 61 H -0.09 0.23 0.10 -0.55 8.40 8.10 2f27B1 ALA 61 HA -0.05 0.06 0.38 -0.75 4.34 3.98 2f27B1 ALA 61 HB3 0.07 0.03 0.08 -0.04 1.41 1.55 2f27B1 PRO 62 HA -0.01 0.09 0.40 -0.51 4.44 4.42 2f27B1 PRO 62 HB2 -0.07 0.00 0.01 -0.04 2.28 2.18 2f27B1 PRO 62 HB3 -0.03 0.04 0.06 -0.04 2.02 2.04 2f27B1 PRO 62 HG2 -0.04 0.04 0.05 -0.04 2.03 2.04 2f27B1 PRO 62 HG3 -0.02 0.05 0.06 -0.04 2.03 2.08 2f27B1 PRO 62 HD2 -0.10 0.04 -0.05 -0.04 3.68 3.53 2f27B1 PRO 62 HD3 -0.04 0.07 0.15 -0.04 3.65 3.79 2f27B1 THR 63 H -0.17 0.09 -0.32 -0.55 8.28 7.33 2f27B1 THR 63 HA -0.25 0.24 0.88 -0.75 4.39 4.50 2f27B1 THR 63 HB -0.25 0.03 0.06 -0.04 4.32 4.12 2f27B1 THR 63 HG23 -0.11 -0.02 -0.09 -0.04 1.22 0.96 2f27B1 HIS 64 H -0.18 0.28 -0.16 -0.55 8.41 7.80 2f27B1 HIS 64 HA -0.44 -0.02 0.28 -0.75 4.63 3.70 2f27B1 HIS 64 HB2 0.12 -0.10 0.17 -0.04 3.26 3.41 2f27B1 HIS 64 HB3 0.07 0.01 0.06 -0.04 3.20 3.31 2f27B1 HIS 64 HD2 0.04 -0.06 0.14 -0.04 6.97 7.04 2f27B1 HIS 64 HE1 -0.00 -0.04 -0.04 -0.04 7.75 7.62 2f27B1 GLN 65 H -0.42 0.26 -0.03 -0.55 8.47 7.73 2f27B1 GLN 65 HA 0.02 0.16 0.67 -0.75 4.36 4.45 2f27B1 GLN 65 HB2 -0.16 -0.11 -0.13 -0.04 2.15 1.72 2f27B1 GLN 65 HB3 -0.05 0.00 -0.06 -0.04 2.02 1.87 2f27B1 GLN 65 HG2 -0.27 0.47 -0.56 -0.04 2.40 1.99 2f27B1 GLN 65 HG3 -0.15 -0.10 -0.09 -0.04 2.39 2.00 2f27B1 GLN 65 HE21 0.08 0.29 0.20 -0.04 6.97 7.49 2f27B1 GLN 65 HE22 0.04 0.39 0.16 -0.04 7.69 8.23 2f27B1 VAL 66 H 0.10 0.19 0.04 -0.55 8.24 8.02 2f27B1 VAL 66 HA -0.20 0.31 0.86 -0.75 4.13 4.34 2f27B1 VAL 66 HB 0.01 -0.02 -0.06 -0.04 2.12 2.01 2f27B1 VAL 66 HG13 -1.28 -0.01 -0.48 -0.04 0.97 -0.85 2f27B1 VAL 66 HG23 0.15 -0.00 -0.29 -0.04 0.95 0.76 2f27B1 GLN 67 H -0.30 0.58 0.22 -0.55 8.47 8.43 2f27B1 GLN 67 HA -0.08 0.16 0.90 -0.75 4.36 4.58 2f27B1 GLN 67 HB2 -0.10 -0.00 -0.01 -0.04 2.15 2.00 2f27B1 GLN 67 HB3 -0.14 -0.00 0.14 -0.04 2.02 1.97 2f27B1 GLN 67 HG2 -0.06 0.00 -0.28 -0.04 2.40 2.03 2f27B1 GLN 67 HG3 -0.02 0.02 0.00 -0.04 2.39 2.35 2f27B1 GLN 67 HE21 -0.03 -0.03 -0.02 -0.04 6.97 6.85 2f27B1 GLN 67 HE22 -0.02 0.02 -0.01 -0.04 7.69 7.64 2f27B1 TRP 68 H 0.17 0.17 0.09 -0.55 7.97 7.86 2f27B1 TRP 68 HA -0.12 0.19 0.95 -0.75 4.62 4.89 2f27B1 TRP 68 HB2 -0.14 -0.02 0.04 -0.04 3.23 3.07 2f27B1 TRP 68 HB3 -0.18 0.13 -0.11 -0.04 3.23 3.03 2f27B1 TRP 68 HD1 -0.10 0.04 -0.10 -0.04 7.22 7.02 2f27B1 TRP 68 HE1 -0.31 -0.00 -0.19 -0.04 10.20 9.66 2f27B1 TRP 68 HE3 -0.19 0.04 -0.64 -0.04 7.59 6.76 2f27B1 TRP 68 HZ2 -2.17 -0.01 -0.20 -0.04 7.44 5.02 2f27B1 TRP 68 HZ3 -0.16 0.07 -0.23 -0.04 7.13 6.77 2f27B1 TRP 68 HH2 -0.30 -0.04 -0.25 -0.04 7.19 6.57 2f27B1 GLN 69 H 0.08 0.71 0.36 -0.55 8.47 9.07 2f27B1 GLN 69 HA 0.02 0.03 0.53 -0.75 4.36 4.19 2f27B1 GLN 69 HB2 0.03 -0.06 0.14 -0.04 2.15 2.22 2f27B1 GLN 69 HB3 0.01 -0.06 0.17 -0.04 2.02 2.10 2f27B1 GLN 69 HG2 -0.03 -0.04 0.01 -0.04 2.40 2.31 2f27B1 GLN 69 HG3 -0.05 0.17 0.15 -0.04 2.39 2.62 2f27B1 GLN 69 HE21 -0.01 -0.01 -0.01 -0.04 6.97 6.90 2f27B1 GLN 69 HE22 0.00 0.01 0.04 -0.04 7.69 7.70 2f27B1 ALA 70 H 0.02 0.05 0.16 -0.55 8.40 8.08 2f27B1 ALA 70 HA -0.01 0.06 0.44 -0.75 4.34 4.08 2f27B1 ALA 70 HB3 0.01 0.00 0.12 -0.04 1.41 1.50 2f27B1 GLN 71 H -0.03 0.05 0.19 -0.55 8.47 8.13 2f27B1 GLN 71 HA 0.04 0.37 0.66 -0.75 4.36 4.67 2f27B1 GLN 71 HB2 0.18 -0.03 -0.00 -0.04 2.15 2.26 2f27B1 GLN 71 HB3 -0.06 0.05 0.09 -0.04 2.02 2.05 2f27B1 GLN 71 HG2 0.01 -0.04 0.06 -0.04 2.40 2.39 2f27B1 GLN 71 HG3 0.07 -0.02 -0.28 -0.04 2.39 2.11 2f27B1 GLN 71 HE21 0.29 -0.01 -0.11 -0.04 6.97 7.10 2f27B1 GLN 71 HE22 0.15 -0.04 -0.16 -0.04 7.69 7.60 2f27B1 GLU 72 H 0.08 0.50 0.42 -0.55 8.60 9.05 2f27B1 GLU 72 HA 0.06 0.06 0.68 -0.75 4.29 4.33 2f27B1 GLU 72 HB2 0.07 -0.02 0.10 -0.04 2.09 2.19 2f27B1 GLU 72 HB3 0.06 0.08 -0.13 -0.04 1.99 1.96 2f27B1 GLU 72 HG2 0.08 0.09 0.03 -0.04 2.34 2.50 2f27B1 GLU 72 HG3 0.11 -0.02 -0.23 -0.04 2.34 2.16 2f27B1 VAL 73 H 0.04 0.12 0.16 -0.55 8.24 8.01 2f27B1 VAL 73 HA 0.00 0.15 0.70 -0.75 4.13 4.24 2f27B1 VAL 73 HB 0.00 -0.05 0.10 -0.04 2.12 2.13 2f27B1 VAL 73 HG13 -0.06 0.01 -0.23 -0.04 0.97 0.65 2f27B1 VAL 73 HG23 -0.01 0.00 -0.04 -0.04 0.95 0.86 2f27B1 VAL 74 H -0.08 0.78 0.27 -0.55 8.24 8.67 2f27B1 VAL 74 HA -0.08 0.11 0.58 -0.75 4.13 3.98 2f27B1 VAL 74 HB -0.32 0.05 0.18 -0.04 2.12 1.99 2f27B1 VAL 74 HG13 -1.09 -0.05 -0.08 -0.04 0.97 -0.29 2f27B1 VAL 74 HG23 -0.04 0.02 -0.18 -0.04 0.95 0.72 2f27B1 ALA 75 H -0.01 0.45 -0.13 -0.55 8.40 8.16 2f27B1 ALA 75 HA -0.05 0.05 0.20 -0.75 4.34 3.79 2f27B1 ALA 75 HB3 0.02 0.01 0.03 -0.04 1.41 1.42 2f27B1 GLN 76 H -0.03 0.03 -0.35 -0.55 8.47 7.57 2f27B1 GLN 76 HA 0.01 0.10 0.49 -0.75 4.36 4.21 2f27B1 GLN 76 HB2 0.08 -0.11 -0.07 -0.04 2.15 2.00 2f27B1 GLN 76 HB3 0.08 0.20 0.04 -0.04 2.02 2.30 2f27B1 GLN 76 HG2 0.10 -0.14 -0.06 -0.04 2.40 2.26 2f27B1 GLN 76 HG3 0.18 0.17 -0.12 -0.04 2.39 2.58 2f27B1 GLN 76 HE21 0.06 -0.09 -0.07 -0.04 6.97 6.83 2f27B1 GLN 76 HE22 0.09 0.17 -0.16 -0.04 7.69 7.76 2f27B1 ALA 77 H -0.26 0.45 -0.34 -0.55 8.40 7.70 2f27B1 ALA 77 HA -0.22 0.06 0.44 -0.75 4.34 3.87 2f27B1 ALA 77 HB3 -0.83 0.00 0.05 -0.04 1.41 0.59 2f27B1 ARG 78 H 0.06 0.57 0.04 -0.55 8.46 8.58 2f27B1 ARG 78 HA 0.13 0.03 0.30 -0.75 4.34 4.05 2f27B1 ARG 78 HB2 0.02 0.07 0.01 -0.04 1.90 1.95 2f27B1 ARG 78 HB3 -0.08 0.16 -0.16 -0.04 1.80 1.67 2f27B1 ARG 78 HG2 -0.04 0.13 -0.35 -0.04 1.67 1.37 2f27B1 ARG 78 HG3 0.01 -0.09 -0.33 -0.04 1.67 1.22 2f27B1 ARG 78 HD2 -0.04 -0.03 -0.11 -0.04 3.22 3.00 2f27B1 ARG 78 HD3 -0.01 -0.05 -0.09 -0.04 3.22 3.03 2f27B1 LEU 79 H 0.10 0.28 0.03 -0.55 8.37 8.23 2f27B1 LEU 79 HA -0.00 0.16 0.86 -0.75 4.35 4.61 2f27B1 LEU 79 HB2 -0.30 -0.00 -0.05 -0.04 1.64 1.25 2f27B1 LEU 79 HB3 -0.28 0.04 -0.02 -0.04 1.64 1.34 2f27B1 LEU 79 HG -0.03 -0.03 -0.27 -0.04 1.64 1.27 2f27B1 LEU 79 HD13 -0.30 -0.00 -0.12 -0.04 0.93 0.47 2f27B1 LEU 79 HD23 -0.04 0.04 -0.15 -0.04 0.89 0.70 2f27B1 ASP 80 H 0.01 0.13 0.10 -0.55 8.40 8.09 2f27B1 ASP 80 HA 0.05 0.03 0.40 -0.75 4.63 4.35 2f27B1 ASP 80 HB2 0.04 -0.00 0.13 -0.04 2.71 2.83 2f27B1 ASP 80 HB3 0.04 0.01 0.03 -0.04 2.70 2.75 2f27B1 GLY 81 H 0.07 0.13 0.21 -0.55 8.43 8.29 2f27B1 GLY 81 HA2 0.04 -0.02 0.39 -0.51 4.01 3.91 2f27B1 GLY 81 HA3 0.09 0.05 0.47 -0.51 4.01 4.11 2f27B1 HIS 82 H 0.22 0.59 -0.27 -0.55 8.41 8.40 2f27B1 HIS 82 HA 0.02 0.15 0.94 -0.75 4.63 4.99 2f27B1 HIS 82 HB2 0.05 -0.03 -0.06 -0.04 3.26 3.18 2f27B1 HIS 82 HB3 0.04 -0.01 -0.19 -0.04 3.20 3.01 2f27B1 HIS 82 HD2 0.03 0.11 -0.57 -0.04 6.97 6.50 2f27B1 HIS 82 HE1 0.02 -0.04 -0.08 -0.04 7.75 7.60 2f27B1 ARG 83 H 0.06 0.77 0.34 -0.55 8.46 9.08 2f27B1 ARG 83 HA 0.03 0.17 0.84 -0.75 4.34 4.62 2f27B1 ARG 83 HB2 0.00 0.19 -0.12 -0.04 1.90 1.93 2f27B1 ARG 83 HB3 0.01 0.11 0.11 -0.04 1.80 1.98 2f27B1 ARG 83 HG2 0.02 -0.03 0.08 -0.04 1.67 1.69 2f27B1 ARG 83 HG3 0.02 -0.08 -0.50 -0.04 1.67 1.07 2f27B1 ARG 83 HD2 -0.01 -0.13 -0.11 -0.04 3.22 2.94 2f27B1 ARG 83 HD3 0.00 0.12 -0.11 -0.04 3.22 3.18 2f27B1 SER 84 H -0.01 0.72 0.23 -0.55 8.46 8.86 2f27B1 SER 84 HA 0.16 0.27 1.05 -0.75 4.49 5.21 2f27B1 SER 84 HB2 -0.14 -0.07 0.15 -0.04 3.95 3.85 2f27B1 SER 84 HB3 -0.22 -0.05 -0.06 -0.04 3.93 3.57 2f27B1 MET 85 H 0.15 0.65 0.32 -0.55 8.47 9.04 2f27B1 MET 85 HA 0.01 0.08 0.47 -0.75 4.52 4.32 2f27B1 MET 85 HB2 0.01 -0.12 0.12 -0.04 2.15 2.13 2f27B1 MET 85 HB3 -0.00 0.12 -0.15 -0.04 2.03 1.95 2f27B1 MET 85 HG2 0.03 0.07 -0.18 -0.04 2.63 2.51 2f27B1 MET 85 HG3 0.02 -0.02 -0.14 -0.04 2.56 2.37 2f27B1 MET 85 HE3 -0.02 -0.03 -0.02 -0.04 2.10 1.98 2f27B1 ASN 86 H 0.05 0.10 0.14 -0.55 8.53 8.27 2f27B1 ASN 86 HA 0.10 0.04 0.39 -0.75 4.76 4.54 2f27B1 ASN 86 HB2 0.08 0.02 -0.10 -0.04 2.88 2.84 2f27B1 ASN 86 HB3 0.10 0.24 0.26 -0.04 2.79 3.35 2f27B1 ASN 86 HD21 0.19 -0.08 -0.08 -0.04 7.03 7.02 2f27B1 ASN 86 HD22 0.15 0.46 -0.14 -0.04 7.74 8.16 2f27B1 PRO 87 HA 0.01 0.19 0.45 -0.51 4.44 4.58 2f27B1 PRO 87 HB2 -0.10 -0.02 -0.10 -0.04 2.28 2.02 2f27B1 PRO 87 HB3 -0.07 -0.01 -0.04 -0.04 2.02 1.86 2f27B1 PRO 87 HG2 0.10 0.04 -0.05 -0.04 2.03 2.09 2f27B1 PRO 87 HG3 0.07 0.02 -0.13 -0.04 2.03 1.94 2f27B1 PRO 87 HD2 0.07 0.04 0.19 -0.04 3.68 3.94 2f27B1 PRO 87 HD3 0.02 0.04 -0.03 -0.04 3.65 3.65 2f27B1 CYS 88 H 0.05 0.48 0.21 -0.55 8.50 8.69 2f27B1 CYS 88 HA 0.12 0.28 0.76 -0.75 4.58 4.98 2f27B1 CYS 88 HB2 0.22 -0.15 0.15 -0.04 2.97 3.14 2f27B1 CYS 88 HB3 0.15 0.04 0.05 -0.04 2.97 3.17 2f27B1 PRO 89 HA 0.10 0.32 0.81 -0.51 4.44 5.17 2f27B1 PRO 89 HB2 0.31 -0.02 -0.07 -0.04 2.28 2.46 2f27B1 PRO 89 HB3 -0.25 -0.00 -0.03 -0.04 2.02 1.70 2f27B1 PRO 89 HG2 0.30 0.02 -0.07 -0.04 2.03 2.24 2f27B1 PRO 89 HG3 0.36 0.02 -0.28 -0.04 2.03 2.09 2f27B1 PRO 89 HD2 0.17 0.17 -0.27 -0.04 3.68 3.72 2f27B1 PRO 89 HD3 -0.04 0.08 -0.25 -0.04 3.65 3.41 2f27B1 LEU 90 H 0.32 0.55 0.35 -0.55 8.37 9.05 2f27B1 LEU 90 HA 0.33 0.09 0.66 -0.75 4.35 4.68 2f27B1 LEU 90 HB2 0.37 0.11 -0.14 -0.04 1.64 1.94 2f27B1 LEU 90 HB3 0.43 -0.04 -0.00 -0.04 1.64 1.99 2f27B1 LEU 90 HG 0.26 -0.06 -0.37 -0.04 1.64 1.43 2f27B1 LEU 90 HD13 0.24 -0.05 -0.17 -0.04 0.93 0.92 2f27B1 LEU 90 HD23 0.24 0.00 -0.11 -0.04 0.89 0.98 2f27B1 TYR 91 H 0.37 0.24 0.14 -0.55 8.29 8.50 2f27B1 TYR 91 HA 0.26 0.22 1.13 -0.75 4.56 5.41 2f27B1 TYR 91 HB2 0.19 0.00 -0.05 -0.04 3.06 3.17 2f27B1 TYR 91 HB3 0.17 0.03 0.14 -0.04 2.98 3.28 2f27B1 TYR 91 HD2 0.13 -0.01 -0.12 -0.04 7.15 7.11 2f27B1 TYR 91 HE2 0.07 0.04 -0.21 -0.04 6.85 6.70 2f27B1 ASP 92 H -0.08 0.73 0.23 -0.55 8.40 8.73 2f27B1 ASP 92 HA 0.04 0.17 0.75 -0.75 4.63 4.84 2f27B1 ASP 92 HB2 0.32 0.12 0.11 -0.04 2.71 3.22 2f27B1 ASP 92 HB3 0.04 -0.18 0.32 -0.04 2.70 2.85 2f27B1 ALA 93 H -0.03 0.35 0.17 -0.55 8.40 8.35 2f27B1 ALA 93 HA -0.17 0.06 0.33 -0.75 4.34 3.81 2f27B1 ALA 93 HB3 0.10 0.04 0.11 -0.04 1.41 1.62 2f27B1 GLN 94 H -0.03 -0.01 -0.41 -0.55 8.47 7.47 2f27B1 GLN 94 HA -0.03 0.24 0.80 -0.75 4.36 4.62 2f27B1 GLN 94 HB2 0.05 0.00 0.02 -0.04 2.15 2.18 2f27B1 GLN 94 HB3 -0.11 -0.01 0.00 -0.04 2.02 1.87 2f27B1 GLN 94 HG2 -0.09 0.00 -0.02 -0.04 2.40 2.26 2f27B1 GLN 94 HG3 -0.00 0.01 0.04 -0.04 2.39 2.40 2f27B1 GLN 94 HE21 0.10 0.01 -0.04 -0.04 6.97 7.01 2f27B1 GLN 94 HE22 -0.05 -0.02 -0.04 -0.04 7.69 7.53 2f27B1 THR 95 H -0.12 0.02 0.00 -0.55 8.28 7.64 2f27B1 THR 95 HA -0.12 0.25 0.86 -0.75 4.39 4.62 2f27B1 THR 95 HB -0.09 0.04 0.09 -0.04 4.32 4.32 2f27B1 THR 95 HG23 -0.33 0.01 -0.04 -0.04 1.22 0.81 2f27B1 GLY 96 H -0.20 0.42 0.04 -0.55 8.43 8.14 2f27B1 GLY 96 HA2 -0.11 0.00 0.24 -0.51 4.01 3.63 2f27B1 GLY 96 HA3 -0.03 0.11 0.46 -0.51 4.01 4.04 2f27B1 THR 97 H -0.15 0.02 -0.08 -0.55 8.28 7.53 2f27B1 THR 97 HA -0.12 0.24 0.88 -0.75 4.39 4.64 2f27B1 THR 97 HB -0.01 -0.07 0.07 -0.04 4.32 4.26 2f27B1 THR 97 HG23 -0.60 0.00 -0.20 -0.04 1.22 0.39 2f27B1 LEU 98 H -0.09 0.71 0.41 -0.55 8.37 8.86 2f27B1 LEU 98 HA 0.38 0.15 0.91 -0.75 4.35 5.03 2f27B1 LEU 98 HB2 0.24 -0.02 0.02 -0.04 1.64 1.84 2f27B1 LEU 98 HB3 -0.11 -0.07 0.23 -0.04 1.64 1.65 2f27B1 LEU 98 HG 0.40 0.03 -0.37 -0.04 1.64 1.67 2f27B1 LEU 98 HD13 0.41 0.04 -0.11 -0.04 0.93 1.23 2f27B1 LEU 98 HD23 0.06 -0.04 -0.22 -0.04 0.89 0.66 2f27B1 PHE 99 H 0.46 0.79 0.41 -0.55 8.34 9.44 2f27B1 PHE 99 HA 0.06 0.22 1.04 -0.75 4.62 5.18 2f27B1 PHE 99 HB2 0.01 0.01 0.13 -0.04 3.15 3.26 2f27B1 PHE 99 HB3 -0.87 0.03 -0.08 -0.04 3.06 2.09 2f27B1 PHE 99 HD2 -0.02 0.05 -0.12 -0.04 7.28 7.15 2f27B1 PHE 99 HE2 0.18 -0.00 -0.09 -0.04 7.38 7.42 2f27B1 PHE 99 HZ 0.15 0.27 -0.05 -0.04 7.32 7.64 2f27B1 LEU 100 H 0.05 0.61 0.26 -0.55 8.37 8.76 2f27B1 LEU 100 HA -0.09 0.14 0.80 -0.75 4.35 4.45 2f27B1 LEU 100 HB2 -0.32 -0.03 -0.12 -0.04 1.64 1.13 2f27B1 LEU 100 HB3 -0.31 -0.05 0.10 -0.04 1.64 1.34 2f27B1 LEU 100 HG -0.16 0.06 -0.39 -0.04 1.64 1.11 2f27B1 LEU 100 HD13 -0.68 -0.00 -0.15 -0.04 0.93 0.06 2f27B1 LEU 100 HD23 -0.64 -0.01 -0.13 -0.04 0.89 0.06 2f27B1 PHE 101 H 0.11 0.65 0.14 -0.55 8.34 8.68 2f27B1 PHE 101 HA 0.01 0.20 0.97 -0.75 4.62 5.05 2f27B1 PHE 101 HB2 -0.01 0.11 0.17 -0.04 3.15 3.38 2f27B1 PHE 101 HB3 -0.12 0.01 0.10 -0.04 3.06 3.00 2f27B1 PHE 101 HD2 -0.09 0.18 -0.02 -0.04 7.28 7.30 2f27B1 PHE 101 HE2 -0.06 -0.02 -0.14 -0.04 7.38 7.12 2f27B1 PHE 101 HZ -0.01 -0.05 -0.14 -0.04 7.32 7.08 2f27B1 PHE 102 H -0.13 0.59 0.32 -0.55 8.34 8.57 2f27B1 PHE 102 HA 0.03 0.34 0.49 -0.75 4.62 4.72 2f27B1 PHE 102 HB2 -0.03 0.12 -0.04 -0.04 3.15 3.16 2f27B1 PHE 102 HB3 -0.06 0.03 -0.38 -0.04 3.06 2.61 2f27B1 PHE 102 HD2 -0.06 0.13 -0.46 -0.04 7.28 6.84 2f27B1 PHE 102 HE2 -0.07 -0.04 -0.39 -0.04 7.38 6.83 2f27B1 PHE 102 HZ -0.06 0.00 -0.29 -0.04 7.32 6.94 2f27B1 ILE 103 H 0.17 0.67 0.34 -0.55 8.25 8.89 2f27B1 ILE 103 HA -0.08 0.29 1.21 -0.75 4.18 4.85 2f27B1 ILE 103 HB -0.14 -0.00 0.04 -0.04 1.89 1.75 2f27B1 ILE 103 HG12 0.04 0.18 0.03 -0.04 1.49 1.70 2f27B1 ILE 103 HG13 0.02 -0.05 -0.15 -0.04 1.21 0.99 2f27B1 ILE 103 HG23 -0.01 -0.01 -0.09 -0.04 0.93 0.77 2f27B1 ILE 103 HD13 -0.09 -0.03 -0.02 -0.04 0.88 0.70 2f27B1 ALA 104 H 0.01 0.53 0.34 -0.55 8.40 8.73 2f27B1 ALA 104 HA 0.17 0.46 1.02 -0.75 4.34 5.24 2f27B1 ALA 104 HB3 0.11 -0.04 -0.09 -0.04 1.41 1.35 2f27B1 ILE 105 H 0.11 0.65 0.29 -0.55 8.25 8.75 2f27B1 ILE 105 HA 0.07 0.23 1.00 -0.75 4.18 4.73 2f27B1 ILE 105 HB -0.00 0.04 0.03 -0.04 1.89 1.91 2f27B1 ILE 105 HG12 -0.03 -0.02 -0.17 -0.04 1.49 1.23 2f27B1 ILE 105 HG13 0.00 -0.07 -0.41 -0.04 1.21 0.69 2f27B1 ILE 105 HG23 -0.03 0.03 -0.10 -0.04 0.93 0.80 2f27B1 ILE 105 HD13 -0.05 -0.00 -0.11 -0.04 0.88 0.68 2f27B1 PRO 106 HA -0.56 0.15 0.56 -0.51 4.44 4.08 2f27B1 PRO 106 HB2 -0.13 -0.07 0.11 -0.04 2.28 2.15 2f27B1 PRO 106 HB3 -0.24 0.01 0.10 -0.04 2.02 1.85 2f27B1 PRO 106 HG2 -0.07 0.02 0.13 -0.04 2.03 2.07 2f27B1 PRO 106 HG3 -0.48 0.02 0.07 -0.04 2.03 1.60 2f27B1 PRO 106 HD2 -0.06 0.03 0.19 -0.04 3.68 3.81 2f27B1 PRO 106 HD3 0.01 0.33 0.32 -0.04 3.65 4.27 2f27B1 GLY 107 H -0.13 0.60 0.42 -0.55 8.43 8.77 2f27B1 GLY 107 HA2 -0.04 0.05 0.38 -0.51 4.01 3.89 2f27B1 GLY 107 HA3 -0.04 -0.14 0.43 -0.51 4.01 3.75 2f27B1 GLN 108 H -0.02 0.02 0.17 -0.55 8.47 8.09 2f27B1 GLN 108 HA 0.01 0.41 0.95 -0.75 4.36 4.97 2f27B1 GLN 108 HB2 0.02 -0.08 0.10 -0.04 2.15 2.15 2f27B1 GLN 108 HB3 0.04 -0.11 0.19 -0.04 2.02 2.10 2f27B1 GLN 108 HG2 0.09 -0.10 -0.00 -0.04 2.40 2.34 2f27B1 GLN 108 HG3 0.10 0.40 0.06 -0.04 2.39 2.90 2f27B1 GLN 108 HE21 -0.01 -0.06 -0.10 -0.04 6.97 6.76 2f27B1 GLN 108 HE22 0.01 0.24 -0.13 -0.04 7.69 7.76 2f27B1 VAL 109 H -0.04 0.52 -0.07 -0.55 8.24 8.10 2f27B1 VAL 109 HA -0.02 -0.10 0.44 -0.75 4.13 3.69 2f27B1 VAL 109 HB -0.04 0.10 0.11 -0.04 2.12 2.25 2f27B1 VAL 109 HG13 -0.02 0.02 -0.07 -0.04 0.97 0.85 2f27B1 VAL 109 HG23 -0.04 -0.00 0.02 -0.04 0.95 0.89 2f27B1 THR 110 H -0.03 0.02 0.27 -0.55 8.28 7.99 2f27B1 THR 110 HA -0.04 0.19 0.47 -0.75 4.39 4.26 2f27B1 THR 110 HB -0.05 -0.14 0.19 -0.04 4.32 4.28 2f27B1 THR 110 HG23 -0.04 0.05 0.12 -0.04 1.22 1.31 2f27B1 GLN 111 H -0.05 0.15 0.16 -0.55 8.47 8.18 2f27B1 GLN 111 HA -0.06 0.18 0.44 -0.75 4.36 4.16 2f27B1 GLN 111 HB2 -0.03 0.07 0.08 -0.04 2.15 2.23 2f27B1 GLN 111 HB3 -0.04 -0.06 0.08 -0.04 2.02 1.96 2f27B1 GLN 111 HG2 -0.15 -0.01 -0.19 -0.04 2.40 2.02 2f27B1 GLN 111 HG3 -0.06 0.04 -0.03 -0.04 2.39 2.31 2f27B1 GLN 111 HE21 0.29 0.03 -0.11 -0.04 6.97 7.13 2f27B1 GLN 111 HE22 0.14 0.02 -0.12 -0.04 7.69 7.69 2f27B1 GLU 112 H -0.06 0.03 -0.06 -0.55 8.60 7.96 2f27B1 GLU 112 HA -0.09 0.13 0.35 -0.75 4.29 3.93 2f27B1 GLU 112 HB2 -0.05 -0.03 0.03 -0.04 2.09 2.00 2f27B1 GLU 112 HB3 -0.05 0.08 0.02 -0.04 1.99 2.00 2f27B1 GLU 112 HG2 -0.04 0.07 0.03 -0.04 2.34 2.35 2f27B1 GLU 112 HG3 -0.05 0.05 0.02 -0.04 2.34 2.32 2f27B1 GLN 113 H -0.05 0.03 -0.43 -0.55 8.47 7.48 2f27B1 GLN 113 HA -0.03 0.07 0.42 -0.75 4.36 4.06 2f27B1 GLN 113 HB2 -0.03 0.12 0.10 -0.04 2.15 2.29 2f27B1 GLN 113 HB3 -0.02 0.09 -0.04 -0.04 2.02 2.00 2f27B1 GLN 113 HG2 -0.02 0.06 0.03 -0.04 2.40 2.43 2f27B1 GLN 113 HG3 -0.03 -0.07 0.01 -0.04 2.39 2.26 2f27B1 GLN 113 HE21 -0.02 0.10 0.07 -0.04 6.97 7.08 2f27B1 GLN 113 HE22 -0.03 -0.01 0.05 -0.04 7.69 7.66 2f27B1 GLN 114 H -0.05 0.30 -0.19 -0.55 8.47 7.98 2f27B1 GLN 114 HA -0.02 0.13 0.46 -0.75 4.36 4.17 2f27B1 GLN 114 HB2 -0.06 -0.02 0.08 -0.04 2.15 2.10 2f27B1 GLN 114 HB3 -0.03 0.34 0.04 -0.04 2.02 2.33 2f27B1 GLN 114 HG2 -0.00 0.15 0.16 -0.04 2.40 2.66 2f27B1 GLN 114 HG3 -0.03 -0.02 0.05 -0.04 2.39 2.35 2f27B1 GLN 114 HE21 -0.05 -0.05 -0.08 -0.04 6.97 6.75 2f27B1 GLN 114 HE22 -0.04 0.18 -0.19 -0.04 7.69 7.59 2f27B1 LEU 115 H -0.11 0.33 -0.33 -0.55 8.37 7.71 2f27B1 LEU 115 HA -0.13 0.06 0.40 -0.75 4.35 3.93 2f27B1 LEU 115 HB2 -0.14 0.01 0.15 -0.04 1.64 1.61 2f27B1 LEU 115 HB3 -0.17 0.01 -0.04 -0.04 1.64 1.40 2f27B1 LEU 115 HG -0.32 0.20 -0.07 -0.04 1.64 1.41 2f27B1 LEU 115 HD13 -0.36 -0.03 -0.11 -0.04 0.93 0.38 2f27B1 LEU 115 HD23 -0.88 -0.00 -0.12 -0.04 0.89 -0.15 2f27B1 GLN 116 H -0.06 0.64 0.03 -0.55 8.47 8.53 2f27B1 GLN 116 HA -0.03 0.04 0.41 -0.75 4.36 4.03 2f27B1 GLN 116 HB2 -0.03 0.03 0.14 -0.04 2.15 2.25 2f27B1 GLN 116 HB3 -0.02 -0.04 0.04 -0.04 2.02 1.96 2f27B1 GLN 116 HG2 -0.03 -0.02 0.05 -0.04 2.40 2.36 2f27B1 GLN 116 HG3 -0.04 0.10 0.10 -0.04 2.39 2.51 2f27B1 GLN 116 HE21 -0.02 -0.04 -0.02 -0.04 6.97 6.84 2f27B1 GLN 116 HE22 -0.03 -0.00 -0.01 -0.04 7.69 7.61 2f27B1 THR 117 H -0.03 0.36 -0.36 -0.55 8.28 7.71 2f27B1 THR 117 HA -0.01 0.14 0.75 -0.75 4.39 4.52 2f27B1 THR 117 HB -0.00 -0.05 0.12 -0.04 4.32 4.35 2f27B1 THR 117 HG23 -0.01 -0.01 -0.01 -0.04 1.22 1.14 2f27B1 ARG 118 H -0.02 0.29 -0.39 -0.55 8.46 7.78 2f27B1 ARG 118 HA 0.00 -0.01 0.35 -0.75 4.34 3.92 2f27B1 ARG 118 HB2 0.01 0.11 -0.23 -0.04 1.90 1.75 2f27B1 ARG 118 HB3 0.02 -0.05 0.21 -0.04 1.80 1.94 2f27B1 ARG 118 HG2 0.02 -0.05 0.04 -0.04 1.67 1.64 2f27B1 ARG 118 HG3 0.00 0.07 -0.12 -0.04 1.67 1.58 2f27B1 ARG 118 HD2 0.01 -0.02 -0.07 -0.04 3.22 3.10 2f27B1 ARG 118 HD3 0.01 -0.04 -0.01 -0.04 3.22 3.14 2f27B1 ALA 119 H -0.00 0.14 -0.36 -0.55 8.40 7.64 2f27B1 ALA 119 HA 0.02 0.16 0.97 -0.75 4.34 4.73 2f27B1 ALA 119 HB3 0.02 -0.02 -0.02 -0.04 1.41 1.35 2f27B1 ASN 120 H -0.01 0.23 0.13 -0.55 8.53 8.34 2f27B1 ASN 120 HA 0.01 0.13 0.63 -0.75 4.76 4.78 2f27B1 ASN 120 HB2 -0.09 0.45 -0.03 -0.04 2.88 3.16 2f27B1 ASN 120 HB3 -0.42 -0.04 0.12 -0.04 2.79 2.41 2f27B1 ASN 120 HD21 0.18 -0.12 -0.13 -0.04 7.03 6.92 2f27B1 ASN 120 HD22 -0.68 0.34 -0.01 -0.04 7.74 7.35 2f27B1 VAL 121 H 0.07 0.12 0.23 -0.55 8.24 8.11 2f27B1 VAL 121 HA 0.24 0.19 0.77 -0.75 4.13 4.58 2f27B1 VAL 121 HB 0.07 -0.05 0.19 -0.04 2.12 2.30 2f27B1 VAL 121 HG13 0.06 0.02 -0.22 -0.04 0.97 0.80 2f27B1 VAL 121 HG23 0.02 0.00 -0.01 -0.04 0.95 0.92 2f27B1 THR 122 H 0.18 0.05 0.07 -0.55 8.28 8.03 2f27B1 THR 122 HA 0.06 0.25 0.77 -0.75 4.39 4.71 2f27B1 THR 122 HB -0.33 -0.06 0.07 -0.04 4.32 3.96 2f27B1 THR 122 HG23 -0.52 0.06 -0.13 -0.04 1.22 0.59 2f27B1 ARG 123 H 0.09 0.61 0.36 -0.55 8.46 8.97 2f27B1 ARG 123 HA 0.25 0.12 0.92 -0.75 4.34 4.87 2f27B1 ARG 123 HB2 0.01 -0.00 0.13 -0.04 1.90 1.99 2f27B1 ARG 123 HB3 -0.03 -0.08 -0.04 -0.04 1.80 1.61 2f27B1 ARG 123 HG2 0.16 0.09 -0.34 -0.04 1.67 1.54 2f27B1 ARG 123 HG3 0.01 0.02 -0.06 -0.04 1.67 1.60 2f27B1 ARG 123 HD2 -0.04 -0.00 -0.06 -0.04 3.22 3.08 2f27B1 ARG 123 HD3 -0.05 -0.11 -0.02 -0.04 3.22 3.00 2f27B1 LEU 124 H 0.15 0.07 0.15 -0.55 8.37 8.20 2f27B1 LEU 124 HA 0.03 0.26 0.84 -0.75 4.35 4.73 2f27B1 LEU 124 HB2 0.17 0.06 -0.06 -0.04 1.64 1.77 2f27B1 LEU 124 HB3 -0.10 -0.16 0.03 -0.04 1.64 1.37 2f27B1 LEU 124 HG -0.34 -0.03 -0.29 -0.04 1.64 0.94 2f27B1 LEU 124 HD13 -0.17 0.05 -0.03 -0.04 0.93 0.73 2f27B1 LEU 124 HD23 -0.96 -0.00 -0.18 -0.04 0.89 -0.30 2f27B1 CYS 125 H -0.42 0.91 0.43 -0.55 8.50 8.88 2f27B1 CYS 125 HA -0.26 0.16 1.18 -0.75 4.58 4.90 2f27B1 CYS 125 HB2 -1.96 0.05 -0.18 -0.04 2.97 0.83 2f27B1 CYS 125 HB3 -0.48 -0.04 -0.01 -0.04 2.97 2.40 2f27B1 GLN 126 H -0.14 0.33 0.33 -0.55 8.47 8.44 2f27B1 GLN 126 HA 0.02 0.38 0.74 -0.75 4.36 4.75 2f27B1 GLN 126 HB2 -0.14 -0.01 0.00 -0.04 2.15 1.96 2f27B1 GLN 126 HB3 0.12 0.04 -0.18 -0.04 2.02 1.96 2f27B1 GLN 126 HG2 0.08 0.01 -0.08 -0.04 2.40 2.37 2f27B1 GLN 126 HG3 0.10 -0.05 -0.25 -0.04 2.39 2.14 2f27B1 GLN 126 HE21 0.42 0.04 -0.13 -0.04 6.97 7.26 2f27B1 GLN 126 HE22 0.17 -0.05 -0.20 -0.04 7.69 7.57 2f27B1 VAL 127 H 0.09 0.53 0.33 -0.55 8.24 8.64 2f27B1 VAL 127 HA 0.15 0.21 0.62 -0.75 4.13 4.36 2f27B1 VAL 127 HB 0.28 -0.01 -0.07 -0.04 2.12 2.28 2f27B1 VAL 127 HG13 0.13 -0.01 -0.45 -0.04 0.97 0.59 2f27B1 VAL 127 HG23 -0.27 -0.00 -0.10 -0.04 0.95 0.54 2f27B1 THR 128 H 0.18 0.15 0.18 -0.55 8.28 8.24 2f27B1 THR 128 HA 0.07 0.44 1.19 -0.75 4.39 5.33 2f27B1 THR 128 HB -0.31 -0.01 0.03 -0.04 4.32 3.99 2f27B1 THR 128 HG23 -0.42 0.01 -0.20 -0.04 1.22 0.56 2f27B1 SER 129 H -0.22 0.54 0.37 -0.55 8.46 8.61 2f27B1 SER 129 HA -0.30 0.16 0.87 -0.75 4.49 4.47 2f27B1 SER 129 HB2 -1.60 0.17 -0.10 -0.04 3.95 2.38 2f27B1 SER 129 HB3 -0.96 -0.00 0.06 -0.04 3.93 2.98 2f27B1 THR 130 H -0.22 0.21 0.17 -0.55 8.28 7.89 2f27B1 THR 130 HA -0.17 0.36 1.07 -0.75 4.39 4.90 2f27B1 THR 130 HB -0.12 0.09 0.19 -0.04 4.32 4.44 2f27B1 THR 130 HG23 -0.11 0.01 -0.09 -0.04 1.22 0.98 2f27B1 ASP 131 H -0.29 -0.01 -0.05 -0.55 8.40 7.49 2f27B1 ASP 131 HA -0.29 0.34 0.88 -0.75 4.63 4.81 2f27B1 ASP 131 HB2 -0.12 0.07 0.18 -0.04 2.71 2.81 2f27B1 ASP 131 HB3 -0.14 0.09 -0.04 -0.04 2.70 2.58 2f27B1 HIS 132 H -0.37 0.21 -0.23 -0.55 8.41 7.46 2f27B1 HIS 132 HA -0.13 0.05 0.21 -0.75 4.63 4.00 2f27B1 HIS 132 HB2 -0.10 0.17 -0.14 -0.04 3.26 3.15 2f27B1 HIS 132 HB3 -0.11 0.02 0.09 -0.04 3.20 3.16 2f27B1 HIS 132 HD2 -0.08 0.04 -0.16 -0.04 6.97 6.73 2f27B1 HIS 132 HE1 -0.16 -0.01 -0.09 -0.04 7.75 7.45 2f27B1 GLY 133 H -0.52 -0.02 -0.23 -0.55 8.43 7.11 2f27B1 GLY 133 HA2 -0.83 0.01 0.10 -0.51 4.01 2.78 2f27B1 GLY 133 HA3 0.04 0.20 0.45 -0.51 4.01 4.19 2f27B1 ARG 134 H -0.19 0.23 -0.45 -0.55 8.46 7.49 2f27B1 ARG 134 HA -0.01 0.11 0.39 -0.75 4.34 4.08 2f27B1 ARG 134 HB2 -0.05 0.10 0.06 -0.04 1.90 1.97 2f27B1 ARG 134 HB3 -0.10 -0.11 0.09 -0.04 1.80 1.63 2f27B1 ARG 134 HG2 -0.03 -0.03 -0.26 -0.04 1.67 1.30 2f27B1 ARG 134 HG3 -0.01 0.01 0.01 -0.04 1.67 1.64 2f27B1 ARG 134 HD2 -0.02 0.03 -0.01 -0.04 3.22 3.18 2f27B1 ARG 134 HD3 -0.04 -0.02 -0.02 -0.04 3.22 3.10 2f27B1 THR 135 H -0.28 0.03 -0.05 -0.55 8.28 7.42 2f27B1 THR 135 HA 0.03 0.23 0.73 -0.75 4.39 4.63 2f27B1 THR 135 HB -0.01 0.07 0.02 -0.04 4.32 4.36 2f27B1 THR 135 HG23 -0.02 0.01 -0.20 -0.04 1.22 0.96 2f27B1 TRP 136 H 0.24 0.21 0.11 -0.55 7.97 7.99 2f27B1 TRP 136 HA 0.00 0.25 1.02 -0.75 4.62 5.13 2f27B1 TRP 136 HB2 0.02 -0.07 -0.02 -0.04 3.23 3.12 2f27B1 TRP 136 HB3 0.02 0.07 -0.05 -0.04 3.23 3.23 2f27B1 TRP 136 HD1 0.04 0.01 -0.25 -0.04 7.22 6.97 2f27B1 TRP 136 HE1 0.09 0.19 -0.17 -0.04 10.20 10.28 2f27B1 TRP 136 HE3 0.01 -0.02 -0.52 -0.04 7.59 7.02 2f27B1 TRP 136 HZ2 0.33 0.05 -0.18 -0.04 7.44 7.59 2f27B1 TRP 136 HZ3 0.02 0.10 -0.35 -0.04 7.13 6.86 2f27B1 TRP 136 HH2 0.26 0.01 -0.29 -0.04 7.19 7.13 2f27B1 SER 137 H 0.23 0.49 0.31 -0.55 8.46 8.94 2f27B1 SER 137 HA 0.08 0.05 0.50 -0.75 4.49 4.36 2f27B1 SER 137 HB2 0.06 -0.02 0.19 -0.04 3.95 4.14 2f27B1 SER 137 HB3 0.04 -0.02 0.13 -0.04 3.93 4.04 2f27B1 SER 138 H 0.06 0.04 0.18 -0.55 8.46 8.19 2f27B1 SER 138 HA 0.07 0.12 0.57 -0.75 4.49 4.50 2f27B1 SER 138 HB2 0.05 -0.05 0.10 -0.04 3.95 4.01 2f27B1 SER 138 HB3 0.04 0.09 0.13 -0.04 3.93 4.16 2f27B1 PRO 139 HA 0.11 0.19 0.58 -0.51 4.44 4.81 2f27B1 PRO 139 HB2 0.09 -0.10 -0.06 -0.04 2.28 2.18 2f27B1 PRO 139 HB3 0.18 0.11 0.19 -0.04 2.02 2.46 2f27B1 PRO 139 HG2 0.04 -0.11 0.16 -0.04 2.03 2.07 2f27B1 PRO 139 HG3 0.06 0.31 0.25 -0.04 2.03 2.61 2f27B1 PRO 139 HD2 0.05 -0.05 0.31 -0.04 3.68 3.95 2f27B1 PRO 139 HD3 0.06 0.30 0.36 -0.04 3.65 4.34 2f27B1 ARG 140 H 0.04 0.64 0.38 -0.55 8.46 8.97 2f27B1 ARG 140 HA 0.02 0.13 0.90 -0.75 4.34 4.63 2f27B1 ARG 140 HB2 0.06 0.05 -0.04 -0.04 1.90 1.94 2f27B1 ARG 140 HB3 0.07 -0.01 0.12 -0.04 1.80 1.93 2f27B1 ARG 140 HG2 0.04 -0.04 -0.37 -0.04 1.67 1.26 2f27B1 ARG 140 HG3 0.05 -0.00 -0.03 -0.04 1.67 1.64 2f27B1 ARG 140 HD2 0.11 -0.01 -0.06 -0.04 3.22 3.22 2f27B1 ARG 140 HD3 0.16 -0.01 -0.09 -0.04 3.22 3.23 2f27B1 ASP 141 H -0.02 0.19 0.09 -0.55 8.40 8.12 2f27B1 ASP 141 HA -0.11 0.18 0.76 -0.75 4.63 4.71 2f27B1 ASP 141 HB2 -0.07 0.05 0.06 -0.04 2.71 2.71 2f27B1 ASP 141 HB3 -0.05 -0.01 0.21 -0.04 2.70 2.81 2f27B1 LEU 142 H -0.13 0.62 0.34 -0.55 8.37 8.66 2f27B1 LEU 142 HA -0.05 0.10 0.53 -0.75 4.35 4.18 2f27B1 LEU 142 HB2 -0.30 0.07 -0.11 -0.04 1.64 1.27 2f27B1 LEU 142 HB3 -0.29 -0.07 0.01 -0.04 1.64 1.24 2f27B1 LEU 142 HG -0.07 0.11 -0.15 -0.04 1.64 1.49 2f27B1 LEU 142 HD13 -0.36 0.01 -0.20 -0.04 0.93 0.34 2f27B1 LEU 142 HD23 0.11 -0.00 -0.15 -0.04 0.89 0.81 2f27B1 THR 143 H -0.09 0.20 -0.15 -0.55 8.28 7.69 2f27B1 THR 143 HA -0.08 0.06 0.35 -0.75 4.39 3.97 2f27B1 THR 143 HB -0.12 -0.02 0.11 -0.04 4.32 4.25 2f27B1 THR 143 HG23 -0.22 0.04 -0.08 -0.04 1.22 0.92 2f27B1 ASP 144 H -0.08 0.18 -0.11 -0.55 8.40 7.84 2f27B1 ASP 144 HA -0.09 0.04 0.43 -0.75 4.63 4.25 2f27B1 ASP 144 HB2 -0.04 0.02 0.09 -0.04 2.71 2.73 2f27B1 ASP 144 HB3 -0.04 0.05 -0.01 -0.04 2.70 2.66 2f27B1 ALA 145 H -0.02 0.10 -0.24 -0.55 8.40 7.69 2f27B1 ALA 145 HA 0.03 0.09 0.50 -0.75 4.34 4.22 2f27B1 ALA 145 HB3 0.08 -0.00 0.07 -0.04 1.41 1.52 2f27B1 ALA 146 H -0.05 0.62 -0.05 -0.55 8.40 8.37 2f27B1 ALA 146 HA 0.16 0.20 0.75 -0.75 4.34 4.69 2f27B1 ALA 146 HB3 -0.31 -0.03 -0.10 -0.04 1.41 0.93 2f27B1 ILE 147 H -0.03 0.51 0.08 -0.55 8.25 8.26 2f27B1 ILE 147 HA 0.01 0.19 0.85 -0.75 4.18 4.48 2f27B1 ILE 147 HB -0.04 0.06 0.08 -0.04 1.89 1.95 2f27B1 ILE 147 HG12 0.34 0.06 -0.23 -0.04 1.49 1.62 2f27B1 ILE 147 HG13 -0.04 -0.10 -0.22 -0.04 1.21 0.81 2f27B1 ILE 147 HG23 -0.58 -0.02 -0.24 -0.04 0.93 0.04 2f27B1 ILE 147 HD13 -0.33 -0.01 -0.12 -0.04 0.88 0.37 2f27B1 GLY 148 H -0.06 0.33 0.18 -0.55 8.43 8.33 2f27B1 GLY 148 HA2 -0.07 -0.03 0.40 -0.51 4.01 3.80 2f27B1 GLY 148 HA3 -0.04 0.14 0.38 -0.51 4.01 3.97 2f27B1 PRO 149 HA -0.06 0.02 0.43 -0.51 4.44 4.32 2f27B1 PRO 149 HB2 -0.06 0.06 0.04 -0.04 2.28 2.28 2f27B1 PRO 149 HB3 -0.04 0.00 0.11 -0.04 2.02 2.05 2f27B1 PRO 149 HG2 -0.02 0.04 0.08 -0.04 2.03 2.09 2f27B1 PRO 149 HG3 -0.03 -0.00 0.11 -0.04 2.03 2.07 2f27B1 PRO 149 HD2 -0.04 0.21 0.12 -0.04 3.68 3.92 2f27B1 PRO 149 HD3 -0.03 0.10 0.20 -0.04 3.65 3.87 2f27B1 ALA 150 H -0.21 0.61 -0.19 -0.55 8.40 8.06 2f27B1 ALA 150 HA -0.31 0.08 0.53 -0.75 4.34 3.89 2f27B1 ALA 150 HB3 -0.59 0.02 0.03 -0.04 1.41 0.84 2f27B1 TYR 151 H -0.20 0.55 -0.43 -0.55 8.29 7.67 2f27B1 TYR 151 HA -0.50 0.01 0.22 -0.75 4.56 3.54 2f27B1 TYR 151 HB2 -0.19 0.02 -0.01 -0.04 3.06 2.84 2f27B1 TYR 151 HB3 -0.13 -0.01 0.01 -0.04 2.98 2.82 2f27B1 TYR 151 HD2 -0.04 -0.04 -0.12 -0.04 7.15 6.91 2f27B1 TYR 151 HE2 0.23 0.17 -0.02 -0.04 6.85 7.19 2f27B1 ARG 152 H -0.05 0.18 -0.21 -0.55 8.46 7.83 2f27B1 ARG 152 HA -0.04 0.14 0.50 -0.75 4.34 4.18 2f27B1 ARG 152 HB2 0.00 0.02 0.14 -0.04 1.90 2.02 2f27B1 ARG 152 HB3 0.03 -0.06 0.08 -0.04 1.80 1.81 2f27B1 ARG 152 HG2 -0.04 0.08 0.02 -0.04 1.67 1.69 2f27B1 ARG 152 HG3 -0.04 0.06 -0.25 -0.04 1.67 1.40 2f27B1 ARG 152 HD2 0.00 -0.01 0.01 -0.04 3.22 3.18 2f27B1 ARG 152 HD3 -0.01 -0.05 0.01 -0.04 3.22 3.13 2f27B1 GLU 153 H -0.30 0.37 -0.62 -0.55 8.60 7.49 2f27B1 GLU 153 HA -0.00 0.11 0.65 -0.75 4.29 4.29 2f27B1 GLU 153 HB2 -0.37 0.23 0.14 -0.04 2.09 2.05 2f27B1 GLU 153 HB3 0.06 -0.09 0.11 -0.04 1.99 2.03 2f27B1 GLU 153 HG2 -0.02 -0.00 0.02 -0.04 2.34 2.30 2f27B1 GLU 153 HG3 -0.09 -0.01 -0.04 -0.04 2.34 2.15 2f27B1 TRP 154 H -0.08 0.41 -0.23 -0.55 7.97 7.51 2f27B1 TRP 154 HA -0.00 0.27 1.09 -0.75 4.62 5.22 2f27B1 TRP 154 HB2 -0.03 -0.00 -0.06 -0.04 3.23 3.10 2f27B1 TRP 154 HB3 0.09 -0.03 -0.03 -0.04 3.23 3.22 2f27B1 TRP 154 HD1 -0.03 0.18 -0.62 -0.04 7.22 6.71 2f27B1 TRP 154 HE1 0.15 -0.03 -0.14 -0.04 10.20 10.14 2f27B1 TRP 154 HE3 -0.08 -0.03 -0.21 -0.04 7.59 7.23 2f27B1 TRP 154 HZ2 -0.40 0.01 -0.12 -0.04 7.44 6.89 2f27B1 TRP 154 HZ3 -0.45 -0.06 -0.19 -0.04 7.13 6.39 2f27B1 TRP 154 HH2 -0.24 0.01 -0.15 -0.04 7.19 6.77 2f27B1 SER 155 H 0.21 0.55 0.23 -0.55 8.46 8.90 2f27B1 SER 155 HA 0.05 0.14 0.27 -0.75 4.49 4.20 2f27B1 SER 155 HB2 0.05 -0.08 0.03 -0.04 3.95 3.91 2f27B1 SER 155 HB3 -0.03 0.03 -0.12 -0.04 3.93 3.76 2f27B1 THR 156 H 0.23 0.26 0.05 -0.55 8.28 8.27 2f27B1 THR 156 HA 0.13 0.03 0.29 -0.75 4.39 4.08 2f27B1 THR 156 HB -0.03 0.20 -0.10 -0.04 4.32 4.35 2f27B1 THR 156 HG23 -0.02 -0.02 -0.27 -0.04 1.22 0.87 2f27B1 PHE 157 H -0.27 0.28 0.18 -0.55 8.34 7.97 2f27B1 PHE 157 HA -0.23 0.13 0.64 -0.75 4.62 4.41 2f27B1 PHE 157 HB2 -0.15 0.17 0.18 -0.04 3.15 3.30 2f27B1 PHE 157 HB3 0.01 0.02 -0.26 -0.04 3.06 2.80 2f27B1 PHE 157 HD2 0.23 0.03 -0.30 -0.04 7.28 7.20 2f27B1 PHE 157 HE2 0.24 0.09 -0.22 -0.04 7.38 7.46 2f27B1 PHE 157 HZ 0.18 -0.16 -0.44 -0.04 7.32 6.86 2f27B1 ALA 158 H -0.20 0.58 0.32 -0.55 8.40 8.55 2f27B1 ALA 158 HA -0.12 0.04 0.42 -0.75 4.34 3.92 2f27B1 ALA 158 HB3 -0.18 0.04 -0.09 -0.04 1.41 1.13 2f27B1 VAL 159 H 0.06 0.20 0.12 -0.55 8.24 8.07 2f27B1 VAL 159 HA 0.01 0.20 1.07 -0.75 4.13 4.65 2f27B1 VAL 159 HB 0.00 0.09 0.02 -0.04 2.12 2.19 2f27B1 VAL 159 HG13 0.08 -0.03 -0.16 -0.04 0.97 0.82 2f27B1 VAL 159 HG23 0.07 -0.01 -0.10 -0.04 0.95 0.87 2f27B1 GLY 160 H 0.01 0.61 0.18 -0.55 8.43 8.69 2f27B1 GLY 160 HA2 0.03 0.19 0.32 -0.51 4.01 4.03 2f27B1 GLY 160 HA3 0.07 -0.04 0.29 -0.51 4.01 3.83 2f27B1 PRO 161 HA 0.12 0.21 0.32 -0.51 4.44 4.57 2f27B1 PRO 161 HB2 0.18 0.14 0.02 -0.04 2.28 2.58 2f27B1 PRO 161 HB3 0.17 -0.11 0.13 -0.04 2.02 2.17 2f27B1 PRO 161 HG2 0.18 0.06 0.03 -0.04 2.03 2.25 2f27B1 PRO 161 HG3 0.42 -0.12 0.11 -0.04 2.03 2.40 2f27B1 PRO 161 HD2 0.10 0.03 0.30 -0.04 3.68 4.07 2f27B1 PRO 161 HD3 0.22 0.01 0.26 -0.04 3.65 4.10 2f27B1 GLY 162 H 0.14 0.51 0.29 -0.55 8.43 8.82 2f27B1 GLY 162 HA2 0.22 -0.11 0.55 -0.51 4.01 4.15 2f27B1 GLY 162 HA3 0.14 0.23 1.07 -0.51 4.01 4.94 2f27B1 HIS 163 H 0.44 0.01 0.35 -0.55 8.41 8.66 2f27B1 HIS 163 HA 0.19 0.11 0.55 -0.75 4.63 4.73 2f27B1 HIS 163 HB2 0.21 -0.03 0.33 -0.04 3.26 3.73 2f27B1 HIS 163 HB3 0.22 0.15 0.39 -0.04 3.20 3.91 2f27B1 HIS 163 HD2 0.18 0.14 0.16 -0.04 6.97 7.40 2f27B1 HIS 163 HE1 0.16 -0.12 0.20 -0.04 7.75 7.94 2f27B1 CYS 164 H 0.26 0.41 0.40 -0.55 8.50 9.03 2f27B1 CYS 164 HA 0.02 0.17 0.95 -0.75 4.58 4.97 2f27B1 CYS 164 HB2 0.25 -0.12 0.08 -0.04 2.97 3.14 2f27B1 CYS 164 HB3 0.13 0.09 0.31 -0.04 2.97 3.46 2f27B1 LEU 165 H 0.12 0.64 0.43 -0.55 8.37 9.02 2f27B1 LEU 165 HA 0.20 0.16 1.07 -0.75 4.35 5.03 2f27B1 LEU 165 HB2 0.13 0.20 -0.14 -0.04 1.64 1.79 2f27B1 LEU 165 HB3 0.10 -0.02 0.05 -0.04 1.64 1.73 2f27B1 LEU 165 HG 0.11 -0.05 -0.39 -0.04 1.64 1.27 2f27B1 LEU 165 HD13 0.16 0.01 0.08 -0.04 0.93 1.15 2f27B1 LEU 165 HD23 0.11 -0.02 -0.34 -0.04 0.89 0.59 2f27B1 GLN 166 H 0.15 0.27 0.23 -0.55 8.47 8.58 2f27B1 GLN 166 HA 0.07 0.31 1.05 -0.75 4.36 5.04 2f27B1 GLN 166 HB2 0.12 -0.04 0.05 -0.04 2.15 2.24 2f27B1 GLN 166 HB3 0.13 -0.04 0.23 -0.04 2.02 2.31 2f27B1 GLN 166 HG2 0.08 0.10 -0.17 -0.04 2.40 2.38 2f27B1 GLN 166 HG3 0.06 0.23 -0.10 -0.04 2.39 2.54 2f27B1 GLN 166 HE21 0.14 -0.33 0.10 -0.04 6.97 6.85 2f27B1 GLN 166 HE22 0.11 0.48 0.11 -0.04 7.69 8.34 2f27B1 LEU 167 H 0.05 0.52 0.10 -0.55 8.37 8.49 2f27B1 LEU 167 HA 0.07 0.12 0.48 -0.75 4.35 4.26 2f27B1 LEU 167 HB2 0.03 -0.14 0.03 -0.04 1.64 1.52 2f27B1 LEU 167 HB3 0.04 -0.08 0.07 -0.04 1.64 1.62 2f27B1 LEU 167 HG 0.05 0.13 -0.14 -0.04 1.64 1.63 2f27B1 LEU 167 HD13 0.04 0.00 -0.09 -0.04 0.93 0.84 2f27B1 LEU 167 HD23 0.06 0.01 -0.21 -0.04 0.89 0.71 2f27B1 ASN 168 H 0.04 0.12 0.07 -0.55 8.53 8.22 2f27B1 ASN 168 HA 0.04 0.28 0.86 -0.75 4.76 5.18 2f27B1 ASN 168 HB2 0.04 -0.06 0.11 -0.04 2.88 2.92 2f27B1 ASN 168 HB3 0.03 0.03 0.21 -0.04 2.79 3.02 2f27B1 ASN 168 HD21 0.07 0.06 -0.02 -0.04 7.03 7.11 2f27B1 ASN 168 HD22 0.06 -0.11 -0.02 -0.04 7.74 7.63 2f27B1 ASP 169 H 0.03 -0.02 -0.47 -0.55 8.40 7.38 2f27B1 ASP 169 HA 0.01 0.18 0.55 -0.75 4.63 4.61 2f27B1 ASP 169 HB2 -0.01 -0.01 0.13 -0.04 2.71 2.78 2f27B1 ASP 169 HB3 0.01 0.04 0.03 -0.04 2.70 2.74 2f27B1 ARG 170 H -0.01 0.13 0.13 -0.55 8.46 8.15 2f27B1 ARG 170 HA 0.01 0.15 0.36 -0.75 4.34 4.10 2f27B1 ARG 170 HB2 -0.02 -0.01 0.18 -0.04 1.90 2.01 2f27B1 ARG 170 HB3 -0.02 -0.02 0.09 -0.04 1.80 1.81 2f27B1 ARG 170 HG2 -0.01 0.00 0.01 -0.04 1.67 1.63 2f27B1 ARG 170 HG3 0.00 0.05 -0.00 -0.04 1.67 1.68 2f27B1 ARG 170 HD2 0.00 0.03 0.03 -0.04 3.22 3.24 2f27B1 ARG 170 HD3 -0.01 -0.02 0.04 -0.04 3.22 3.20 2f27B1 ALA 171 H -0.02 0.01 -0.09 -0.55 8.40 7.76 2f27B1 ALA 171 HA -0.00 0.18 0.45 -0.75 4.34 4.21 2f27B1 ALA 171 HB3 -0.05 0.04 0.11 -0.04 1.41 1.47 2f27B1 ARG 172 H 0.01 0.26 -0.83 -0.55 8.46 7.35 2f27B1 ARG 172 HA 0.03 0.20 0.23 -0.75 4.34 4.04 2f27B1 ARG 172 HB2 0.15 0.07 0.00 -0.04 1.90 2.07 2f27B1 ARG 172 HB3 0.09 -0.06 0.16 -0.04 1.80 1.96 2f27B1 ARG 172 HG2 0.08 0.11 -0.19 -0.04 1.67 1.63 2f27B1 ARG 172 HG3 0.10 -0.09 -0.04 -0.04 1.67 1.60 2f27B1 ARG 172 HD2 0.04 0.20 0.00 -0.04 3.22 3.42 2f27B1 ARG 172 HD3 0.05 -0.03 -0.01 -0.04 3.22 3.18 2f27B1 SER 173 H -0.00 -0.13 -0.20 -0.55 8.46 7.58 2f27B1 SER 173 HA -0.16 0.12 0.43 -0.75 4.49 4.12 2f27B1 SER 173 HB2 0.03 -0.11 -0.01 -0.04 3.95 3.82 2f27B1 SER 173 HB3 -0.10 0.16 0.01 -0.04 3.93 3.97 2f27B1 LEU 174 H -0.25 0.49 0.40 -0.55 8.37 8.46 2f27B1 LEU 174 HA 0.02 0.23 1.00 -0.75 4.35 4.84 2f27B1 LEU 174 HB2 -0.25 -0.11 0.13 -0.04 1.64 1.36 2f27B1 LEU 174 HB3 0.07 0.07 0.00 -0.04 1.64 1.74 2f27B1 LEU 174 HG -0.22 -0.11 0.03 -0.04 1.64 1.30 2f27B1 LEU 174 HD13 -0.30 0.00 -0.19 -0.04 0.93 0.39 2f27B1 LEU 174 HD23 0.03 0.03 -0.12 -0.04 0.89 0.79 2f27B1 VAL 175 H 0.08 1.01 0.42 -0.55 8.24 9.20 2f27B1 VAL 175 HA 0.10 0.31 1.07 -0.75 4.13 4.85 2f27B1 VAL 175 HB 0.08 -0.05 0.07 -0.04 2.12 2.17 2f27B1 VAL 175 HG13 0.08 0.00 -0.21 -0.04 0.97 0.80 2f27B1 VAL 175 HG23 0.04 -0.01 -0.32 -0.04 0.95 0.63 2f27B1 VAL 176 H 0.10 0.60 0.23 -0.55 8.24 8.62 2f27B1 VAL 176 HA -0.03 0.21 1.06 -0.75 4.13 4.61 2f27B1 VAL 176 HB -0.17 -0.10 0.16 -0.04 2.12 1.97 2f27B1 VAL 176 HG13 -0.26 0.05 -0.06 -0.04 0.97 0.67 2f27B1 VAL 176 HG23 -0.61 -0.01 -0.17 -0.04 0.95 0.12 2f27B1 PRO 177 HA -0.19 0.08 0.58 -0.51 4.44 4.41 2f27B1 PRO 177 HB2 -0.10 0.19 -0.09 -0.04 2.28 2.24 2f27B1 PRO 177 HB3 -0.08 -0.11 -0.01 -0.04 2.02 1.78 2f27B1 PRO 177 HG2 -0.04 -0.04 0.24 -0.04 2.03 2.14 2f27B1 PRO 177 HG3 -0.07 0.10 0.26 -0.04 2.03 2.28 2f27B1 PRO 177 HD2 -0.03 0.09 0.34 -0.04 3.68 4.04 2f27B1 PRO 177 HD3 -0.02 0.11 0.26 -0.04 3.65 3.96 2f27B1 ALA 178 H -0.41 0.59 0.50 -0.55 8.40 8.52 2f27B1 ALA 178 HA -0.10 0.07 0.70 -0.75 4.34 4.25 2f27B1 ALA 178 HB3 -0.69 0.02 0.02 -0.04 1.41 0.72 2f27B1 TYR 179 H -0.25 0.51 0.33 -0.55 8.29 8.33 2f27B1 TYR 179 HA 0.10 0.24 0.69 -0.75 4.56 4.84 2f27B1 TYR 179 HB2 -0.11 0.11 -0.17 -0.04 3.06 2.85 2f27B1 TYR 179 HB3 -0.10 0.16 -0.35 -0.04 2.98 2.64 2f27B1 TYR 179 HD2 -0.17 0.04 -0.34 -0.04 7.15 6.64 2f27B1 TYR 179 HE2 0.04 0.06 -0.19 -0.04 6.85 6.72 2f27B1 ALA 180 H 0.01 0.56 0.36 -0.55 8.40 8.79 2f27B1 ALA 180 HA -0.20 0.12 0.89 -0.75 4.34 4.39 2f27B1 ALA 180 HB3 -1.16 0.02 -0.08 -0.04 1.41 0.14 2f27B1 TYR 181 H 0.15 0.51 0.21 -0.55 8.29 8.61 2f27B1 TYR 181 HA -0.07 0.11 0.32 -0.75 4.56 4.17 2f27B1 TYR 181 HB2 0.02 -0.14 0.16 -0.04 3.06 3.06 2f27B1 TYR 181 HB3 0.00 0.08 -0.13 -0.04 2.98 2.89 2f27B1 TYR 181 HD2 0.01 0.14 -0.21 -0.04 7.15 7.05 2f27B1 TYR 181 HE2 0.10 -0.00 -0.12 -0.04 6.85 6.78 2f27B1 ARG 182 H -0.14 0.63 0.17 -0.55 8.46 8.56 2f27B1 ARG 182 HA 0.11 0.23 0.72 -0.75 4.34 4.65 2f27B1 ARG 182 HB2 -0.19 -0.02 0.16 -0.04 1.90 1.81 2f27B1 ARG 182 HB3 -0.11 0.02 -0.04 -0.04 1.80 1.63 2f27B1 ARG 182 HG2 -0.58 -0.01 -0.08 -0.04 1.67 0.96 2f27B1 ARG 182 HG3 -0.57 0.07 -0.06 -0.04 1.67 1.07 2f27B1 ARG 182 HD2 -1.68 -0.01 0.03 -0.04 3.22 1.51 2f27B1 ARG 182 HD3 -0.53 0.05 0.03 -0.04 3.22 2.73 2f27B1 LYS 183 H 0.13 0.68 0.28 -0.55 8.42 8.95 2f27B1 LYS 183 HA 0.05 0.04 0.62 -0.75 4.32 4.28 2f27B1 LYS 183 HB2 0.06 0.03 0.25 -0.04 1.87 2.17 2f27B1 LYS 183 HB3 0.04 -0.00 0.05 -0.04 1.79 1.84 2f27B1 LYS 183 HG2 0.05 -0.02 -0.03 -0.04 1.46 1.42 2f27B1 LYS 183 HG3 0.10 -0.03 -0.13 -0.04 1.46 1.37 2f27B1 LYS 183 HD2 0.04 0.10 -0.02 -0.04 1.69 1.77 2f27B1 LYS 183 HD3 0.03 -0.07 0.01 -0.04 1.68 1.61 2f27B1 LYS 183 HE2 0.03 -0.03 0.02 -0.04 2.99 2.97 2f27B1 LYS 183 HE3 0.06 -0.12 -0.58 -0.04 2.99 2.30 2f27B1 LEU 184 H 0.04 0.19 0.14 -0.55 8.37 8.19 2f27B1 LEU 184 HA 0.03 0.21 0.88 -0.75 4.35 4.72 2f27B1 LEU 184 HB2 0.03 -0.01 0.05 -0.04 1.64 1.66 2f27B1 LEU 184 HB3 0.02 -0.04 0.01 -0.04 1.64 1.59 2f27B1 LEU 184 HG -0.04 0.02 -0.30 -0.04 1.64 1.29 2f27B1 LEU 184 HD13 -0.07 -0.01 -0.01 -0.04 0.93 0.80 2f27B1 LEU 184 HD23 -0.03 0.02 -0.09 -0.04 0.89 0.75 2f27B1 HIS 185 H 0.11 0.18 0.07 -0.55 8.41 8.22 2f27B1 HIS 185 HA 0.00 0.23 0.91 -0.75 4.63 5.02 2f27B1 HIS 185 HB2 -0.00 0.02 -0.06 -0.04 3.26 3.17 2f27B1 HIS 185 HB3 0.00 0.09 0.03 -0.04 3.20 3.28 2f27B1 HIS 185 HD2 -0.00 0.09 0.05 -0.04 6.97 7.06 2f27B1 HIS 185 HE1 0.00 0.03 0.03 -0.04 7.75 7.78 2f27B1 PRO 186 HA -0.08 0.16 0.43 -0.51 4.44 4.44 2f27B1 PRO 186 HB2 -0.21 -0.03 0.01 -0.04 2.28 2.02 2f27B1 PRO 186 HB3 -0.11 0.04 0.08 -0.04 2.02 1.99 2f27B1 PRO 186 HG2 -0.23 0.01 0.07 -0.04 2.03 1.84 2f27B1 PRO 186 HG3 -0.15 0.09 0.03 -0.04 2.03 1.96 2f27B1 PRO 186 HD2 -1.38 0.01 0.22 -0.04 3.68 2.48 2f27B1 PRO 186 HD3 -0.39 0.22 0.25 -0.04 3.65 3.68 2f27B1 ILE 187 H -0.08 -0.09 -0.16 -0.55 8.25 7.38 2f27B1 ILE 187 HA 0.04 0.27 0.93 -0.75 4.18 4.67 2f27B1 ILE 187 HB 0.27 -0.08 0.05 -0.04 1.89 2.09 2f27B1 ILE 187 HG12 0.01 0.08 -0.12 -0.04 1.49 1.42 2f27B1 ILE 187 HG13 -0.05 -0.10 -0.20 -0.04 1.21 0.81 2f27B1 ILE 187 HG23 0.06 -0.00 -0.11 -0.04 0.93 0.84 2f27B1 ILE 187 HD13 0.06 -0.01 -0.03 -0.04 0.88 0.87 2f27B1 GLN 188 H 0.69 -0.11 -0.00 -0.55 8.47 8.51 2f27B1 GLN 188 HA 0.04 0.01 0.40 -0.75 4.36 4.06 2f27B1 GLN 188 HB2 -0.14 -0.12 0.10 -0.04 2.15 1.95 2f27B1 GLN 188 HB3 0.01 0.14 -0.11 -0.04 2.02 2.01 2f27B1 GLN 188 HG2 -0.08 0.06 0.02 -0.04 2.40 2.35 2f27B1 GLN 188 HG3 -0.05 -0.01 0.07 -0.04 2.39 2.36 2f27B1 GLN 188 HE21 -0.16 -0.01 -0.00 -0.04 6.97 6.76 2f27B1 GLN 188 HE22 -0.08 0.02 -0.00 -0.04 7.69 7.59 2f27B1 ARG 189 H 0.02 0.01 0.14 -0.55 8.46 8.07 2f27B1 ARG 189 HA 0.03 0.18 0.44 -0.75 4.34 4.23 2f27B1 ARG 189 HB2 0.01 0.08 0.04 -0.04 1.90 2.00 2f27B1 ARG 189 HB3 0.01 -0.03 0.11 -0.04 1.80 1.85 2f27B1 ARG 189 HG2 0.00 -0.10 0.10 -0.04 1.67 1.63 2f27B1 ARG 189 HG3 0.01 0.03 -0.07 -0.04 1.67 1.60 2f27B1 ARG 189 HD2 -0.00 -0.04 0.00 -0.04 3.22 3.14 2f27B1 ARG 189 HD3 -0.01 -0.05 -0.01 -0.04 3.22 3.10 2f27B1 PRO 190 HA 0.05 0.02 0.56 -0.51 4.44 4.56 2f27B1 PRO 190 HB2 0.12 -0.11 -0.09 -0.04 2.28 2.17 2f27B1 PRO 190 HB3 0.09 0.08 -0.55 -0.04 2.02 1.60 2f27B1 PRO 190 HG2 0.04 0.05 0.02 -0.04 2.03 2.10 2f27B1 PRO 190 HG3 0.05 0.02 0.07 -0.04 2.03 2.13 2f27B1 PRO 190 HD2 0.02 0.06 0.19 -0.04 3.68 3.91 2f27B1 PRO 190 HD3 0.03 0.25 0.21 -0.04 3.65 4.10 2f27B1 ILE 191 H -0.00 0.22 0.29 -0.55 8.25 8.22 2f27B1 ILE 191 HA 0.00 0.19 0.89 -0.75 4.18 4.51 2f27B1 ILE 191 HB -0.06 -0.06 0.14 -0.04 1.89 1.88 2f27B1 ILE 191 HG12 -0.04 0.01 -0.02 -0.04 1.49 1.41 2f27B1 ILE 191 HG13 -0.01 0.16 -0.08 -0.04 1.21 1.23 2f27B1 ILE 191 HG23 -0.08 0.01 -0.11 -0.04 0.93 0.70 2f27B1 ILE 191 HD13 -0.03 -0.03 -0.01 -0.04 0.88 0.76 2f27B1 PRO 192 HA -0.36 0.38 0.77 -0.51 4.44 4.72 2f27B1 PRO 192 HB2 -0.39 0.21 -0.11 -0.04 2.28 1.96 2f27B1 PRO 192 HB3 -1.47 -0.08 -0.12 -0.04 2.02 0.32 2f27B1 PRO 192 HG2 -0.24 -0.03 -0.07 -0.04 2.03 1.65 2f27B1 PRO 192 HG3 -0.34 -0.01 -0.08 -0.04 2.03 1.56 2f27B1 PRO 192 HD2 -0.12 0.04 0.22 -0.04 3.68 3.78 2f27B1 PRO 192 HD3 -0.06 0.19 0.13 -0.04 3.65 3.87 2f27B1 SER 193 H -0.18 0.36 0.45 -0.55 8.46 8.55 2f27B1 SER 193 HA -0.06 0.11 0.98 -0.75 4.49 4.77 2f27B1 SER 193 HB2 -0.42 -0.07 0.14 -0.04 3.95 3.55 2f27B1 SER 193 HB3 0.08 0.02 0.18 -0.04 3.93 4.17 2f27B1 ALA 194 H 0.03 0.08 0.21 -0.55 8.40 8.17 2f27B1 ALA 194 HA 0.11 0.25 0.88 -0.75 4.34 4.83 2f27B1 ALA 194 HB3 -0.11 0.01 0.03 -0.04 1.41 1.30 2f27B1 PHE 195 H -0.26 0.75 0.34 -0.55 8.34 8.62 2f27B1 PHE 195 HA -0.15 0.09 0.33 -0.75 4.62 4.13 2f27B1 PHE 195 HB2 -0.40 0.13 -0.23 -0.04 3.15 2.61 2f27B1 PHE 195 HB3 -0.39 0.06 -0.38 -0.04 3.06 2.31 2f27B1 PHE 195 HD2 -0.30 0.08 -0.32 -0.04 7.28 6.70 2f27B1 PHE 195 HE2 -1.07 -0.03 -0.34 -0.04 7.38 5.89 2f27B1 PHE 195 HZ -0.70 -0.03 -0.21 -0.04 7.32 6.34 2f27B1 CYS 196 H 0.08 0.27 0.07 -0.55 8.50 8.37 2f27B1 CYS 196 HA -0.37 0.32 1.09 -0.75 4.58 4.86 2f27B1 CYS 196 HB2 0.14 0.02 -0.02 -0.04 2.97 3.07 2f27B1 CYS 196 HB3 0.04 0.06 -0.15 -0.04 2.97 2.87 2f27B1 PHE 197 H -0.05 0.61 0.30 -0.55 8.34 8.64 2f27B1 PHE 197 HA 0.16 0.19 0.80 -0.75 4.62 5.01 2f27B1 PHE 197 HB2 -0.24 -0.03 0.16 -0.04 3.15 3.00 2f27B1 PHE 197 HB3 0.03 -0.03 -0.00 -0.04 3.06 3.01 2f27B1 PHE 197 HD2 -0.09 0.08 -0.09 -0.04 7.28 7.15 2f27B1 PHE 197 HE2 0.05 0.08 -0.24 -0.04 7.38 7.23 2f27B1 PHE 197 HZ 0.12 -0.03 -0.20 -0.04 7.32 7.17 2f27B1 LEU 198 H 0.34 0.76 0.40 -0.55 8.37 9.32 2f27B1 LEU 198 HA 0.07 0.35 1.14 -0.75 4.35 5.15 2f27B1 LEU 198 HB2 -0.06 -0.06 -0.04 -0.04 1.64 1.44 2f27B1 LEU 198 HB3 -0.26 -0.04 -0.08 -0.04 1.64 1.22 2f27B1 LEU 198 HG 0.06 0.10 -0.48 -0.04 1.64 1.28 2f27B1 LEU 198 HD13 0.01 -0.01 -0.32 -0.04 0.93 0.58 2f27B1 LEU 198 HD23 0.04 0.03 -0.13 -0.04 0.89 0.79 2f27B1 SER 199 H -0.42 0.63 0.33 -0.55 8.46 8.45 2f27B1 SER 199 HA -0.71 0.27 1.01 -0.75 4.49 4.31 2f27B1 SER 199 HB2 -2.98 0.15 -0.05 -0.04 3.95 1.03 2f27B1 SER 199 HB3 -1.14 -0.03 0.16 -0.04 3.93 2.87 2f27B1 HIS 200 H -0.35 0.24 0.12 -0.55 8.41 7.88 2f27B1 HIS 200 HA -0.22 0.16 0.89 -0.75 4.63 4.70 2f27B1 HIS 200 HB2 -0.13 0.05 0.01 -0.04 3.26 3.15 2f27B1 HIS 200 HB3 -0.12 -0.01 0.12 -0.04 3.20 3.14 2f27B1 HIS 200 HD2 -0.08 0.05 -0.11 -0.04 6.97 6.78 2f27B1 HIS 200 HE1 -0.06 0.07 -0.11 -0.04 7.75 7.60 2f27B1 ASP 201 H -0.30 0.02 -0.05 -0.55 8.40 7.53 2f27B1 ASP 201 HA -0.14 0.35 0.92 -0.75 4.63 5.01 2f27B1 ASP 201 HB2 -0.02 0.08 0.20 -0.04 2.71 2.92 2f27B1 ASP 201 HB3 -0.05 0.09 -0.02 -0.04 2.70 2.68 2f27B1 HIS 202 H -0.49 0.25 -0.27 -0.55 8.41 7.36 2f27B1 HIS 202 HA -0.07 0.09 0.26 -0.75 4.63 4.15 2f27B1 HIS 202 HB2 0.02 0.14 -0.15 -0.04 3.26 3.24 2f27B1 HIS 202 HB3 0.09 -0.03 0.16 -0.04 3.20 3.37 2f27B1 HIS 202 HD2 -0.01 -0.02 -0.18 -0.04 6.97 6.72 2f27B1 HIS 202 HE1 0.00 0.00 -0.02 -0.04 7.75 7.69 2f27B1 GLY 203 H -0.41 -0.06 -0.29 -0.55 8.43 7.13 2f27B1 GLY 203 HA2 -0.35 0.02 0.14 -0.51 4.01 3.31 2f27B1 GLY 203 HA3 0.24 0.19 0.56 -0.51 4.01 4.49 2f27B1 ARG 204 H -0.08 0.24 -0.32 -0.55 8.46 7.75 2f27B1 ARG 204 HA 0.08 0.09 0.42 -0.75 4.34 4.18 2f27B1 ARG 204 HB2 -0.05 -0.16 0.16 -0.04 1.90 1.81 2f27B1 ARG 204 HB3 0.01 -0.01 -0.00 -0.04 1.80 1.75 2f27B1 ARG 204 HG2 0.06 0.14 0.02 -0.04 1.67 1.84 2f27B1 ARG 204 HG3 0.03 -0.04 0.06 -0.04 1.67 1.68 2f27B1 ARG 204 HD2 0.04 -0.04 0.00 -0.04 3.22 3.18 2f27B1 ARG 204 HD3 0.06 0.01 -0.01 -0.04 3.22 3.24 2f27B1 THR 205 H -0.23 -0.04 0.02 -0.55 8.28 7.48 2f27B1 THR 205 HA 0.03 0.29 0.90 -0.75 4.39 4.86 2f27B1 THR 205 HB -0.00 0.12 0.07 -0.04 4.32 4.47 2f27B1 THR 205 HG23 0.01 0.00 -0.16 -0.04 1.22 1.02 2f27B1 TRP 206 H 0.18 0.30 0.14 -0.55 7.97 8.04 2f27B1 TRP 206 HA -0.04 0.26 1.01 -0.75 4.62 5.10 2f27B1 TRP 206 HB2 -0.02 0.02 -0.12 -0.04 3.23 3.06 2f27B1 TRP 206 HB3 0.01 0.05 -0.02 -0.04 3.23 3.23 2f27B1 TRP 206 HD1 -0.00 0.02 -0.34 -0.04 7.22 6.86 2f27B1 TRP 206 HE1 0.10 0.15 -0.22 -0.04 10.20 10.19 2f27B1 TRP 206 HE3 -0.04 0.02 -0.32 -0.04 7.59 7.21 2f27B1 TRP 206 HZ2 0.09 0.01 -0.14 -0.04 7.44 7.36 2f27B1 TRP 206 HZ3 -0.19 0.10 -0.35 -0.04 7.13 6.65 2f27B1 TRP 206 HH2 -0.27 -0.01 -0.19 -0.04 7.19 6.68 2f27B1 ALA 207 H 0.30 0.43 0.42 -0.55 8.40 8.99 2f27B1 ALA 207 HA 0.16 0.19 0.77 -0.75 4.34 4.70 2f27B1 ALA 207 HB3 0.06 -0.01 -0.01 -0.04 1.41 1.41 2f27B1 ARG 208 H 0.09 0.17 0.18 -0.55 8.46 8.35 2f27B1 ARG 208 HA 0.11 0.11 0.99 -0.75 4.34 4.80 2f27B1 ARG 208 HB2 -0.00 -0.07 0.14 -0.04 1.90 1.93 2f27B1 ARG 208 HB3 -0.17 0.11 0.01 -0.04 1.80 1.71 2f27B1 ARG 208 HG2 0.26 -0.03 -0.06 -0.04 1.67 1.79 2f27B1 ARG 208 HG3 0.22 0.05 -0.00 -0.04 1.67 1.89 2f27B1 ARG 208 HD2 0.13 -0.02 -0.03 -0.04 3.22 3.26 2f27B1 ARG 208 HD3 0.10 -0.02 0.09 -0.04 3.22 3.35 2f27B1 GLY 209 H 0.06 0.61 0.30 -0.55 8.43 8.85 2f27B1 GLY 209 HA2 -0.18 -0.02 0.65 -0.51 4.01 3.94 2f27B1 GLY 209 HA3 -0.01 0.15 0.43 -0.51 4.01 4.07 2f27B1 HIS 210 H -0.22 0.74 0.37 -0.55 8.41 8.76 2f27B1 HIS 210 HA -0.15 0.08 0.57 -0.75 4.63 4.38 2f27B1 HIS 210 HB2 0.06 -0.07 0.22 -0.04 3.26 3.43 2f27B1 HIS 210 HB3 0.06 -0.03 0.16 -0.04 3.20 3.35 2f27B1 HIS 210 HD2 -0.02 0.06 -0.08 -0.04 6.97 6.89 2f27B1 HIS 210 HE1 0.01 -0.06 -0.01 -0.04 7.75 7.64 2f27B1 PHE 211 H 0.20 0.05 0.14 -0.55 8.34 8.17 2f27B1 PHE 211 HA 0.12 0.28 0.57 -0.75 4.62 4.83 2f27B1 PHE 211 HB2 0.02 -0.10 0.04 -0.04 3.15 3.07 2f27B1 PHE 211 HB3 -0.00 0.12 -0.01 -0.04 3.06 3.13 2f27B1 PHE 211 HD2 -0.01 0.04 -0.14 -0.04 7.28 7.12 2f27B1 PHE 211 HE2 -0.32 -0.02 -0.08 -0.04 7.38 6.92 2f27B1 PHE 211 HZ -0.43 -0.02 -0.12 -0.04 7.32 6.71 2f27B1 VAL 212 H 0.19 0.57 0.25 -0.55 8.24 8.70 2f27B1 VAL 212 HA 0.15 0.05 0.55 -0.75 4.13 4.12 2f27B1 VAL 212 HB 0.01 -0.04 -0.10 -0.04 2.12 1.95 2f27B1 VAL 212 HG13 -0.17 0.04 -0.14 -0.04 0.97 0.65 2f27B1 VAL 212 HG23 -0.00 0.03 0.05 -0.04 0.95 0.98 2f27B1 ALA 213 H 0.08 0.13 0.10 -0.55 8.40 8.17 2f27B1 ALA 213 HA 0.04 0.11 0.37 -0.75 4.34 4.10 2f27B1 ALA 213 HB3 0.04 -0.01 0.16 -0.04 1.41 1.56 2f27B1 GLN 214 H 0.00 0.76 0.27 -0.55 8.47 8.96 2f27B1 GLN 214 HA -0.01 0.01 0.38 -0.75 4.36 3.99 2f27B1 GLN 214 HB2 -0.01 0.05 -0.69 -0.04 2.15 1.46 2f27B1 GLN 214 HB3 -0.02 -0.01 -0.34 -0.04 2.02 1.60 2f27B1 GLN 214 HG2 -0.02 0.03 -0.06 -0.04 2.40 2.31 2f27B1 GLN 214 HG3 -0.01 -0.02 0.11 -0.04 2.39 2.44 2f27B1 GLN 214 HE21 -0.04 -0.07 -0.11 -0.04 6.97 6.72 2f27B1 GLN 214 HE22 -0.04 -0.00 -0.05 -0.04 7.69 7.56 2f27B1 ASP 215 H 0.00 0.09 0.09 -0.55 8.40 8.03 2f27B1 ASP 215 HA -0.07 0.38 0.63 -0.75 4.63 4.82 2f27B1 ASP 215 HB2 0.03 -0.03 0.15 -0.04 2.71 2.81 2f27B1 ASP 215 HB3 0.15 -0.08 0.23 -0.04 2.70 2.96 2f27B1 THR 216 H -0.10 0.65 0.34 -0.55 8.28 8.63 2f27B1 THR 216 HA -0.09 0.20 0.93 -0.75 4.39 4.68 2f27B1 THR 216 HB -0.11 0.09 -0.12 -0.04 4.32 4.14 2f27B1 THR 216 HG23 -0.07 -0.03 -0.43 -0.04 1.22 0.66 2f27B1 LEU 217 H -0.20 0.69 0.10 -0.55 8.37 8.42 2f27B1 LEU 217 HA -0.71 0.11 0.63 -0.75 4.35 3.63 2f27B1 LEU 217 HB2 -0.28 0.07 0.01 -0.04 1.64 1.40 2f27B1 LEU 217 HB3 -0.63 -0.14 0.10 -0.04 1.64 0.93 2f27B1 LEU 217 HG -0.21 -0.05 -0.35 -0.04 1.64 0.99 2f27B1 LEU 217 HD13 -0.07 0.00 -0.14 -0.04 0.93 0.68 2f27B1 LEU 217 HD23 -0.24 -0.00 -0.14 -0.04 0.89 0.46 2f27B1 GLU 218 H -0.62 0.04 0.06 -0.55 8.60 7.53 2f27B1 GLU 218 HA -0.12 0.10 0.31 -0.75 4.29 3.83 2f27B1 GLU 218 HB2 -0.18 -0.15 0.13 -0.04 2.09 1.84 2f27B1 GLU 218 HB3 -0.06 0.21 0.03 -0.04 1.99 2.12 2f27B1 GLU 218 HG2 0.17 0.25 0.18 -0.04 2.34 2.90 2f27B1 GLU 218 HG3 -0.26 -0.12 0.06 -0.04 2.34 1.98 2f27B1 CYS 219 H -0.03 0.26 0.20 -0.55 8.50 8.38 2f27B1 CYS 219 HA -0.08 0.26 1.03 -0.75 4.58 5.04 2f27B1 CYS 219 HB2 -0.12 -0.03 -0.08 -0.04 2.97 2.70 2f27B1 CYS 219 HB3 -0.13 0.03 -0.18 -0.04 2.97 2.65 2f27B1 GLN 220 H -0.05 0.48 0.40 -0.55 8.47 8.76 2f27B1 GLN 220 HA -0.06 0.16 0.87 -0.75 4.36 4.57 2f27B1 GLN 220 HB2 0.04 -0.05 0.19 -0.04 2.15 2.29 2f27B1 GLN 220 HB3 -0.01 0.07 0.22 -0.04 2.02 2.26 2f27B1 GLN 220 HG2 -0.10 0.12 0.26 -0.04 2.40 2.63 2f27B1 GLN 220 HG3 -0.01 0.07 -0.11 -0.04 2.39 2.29 2f27B1 GLN 220 HE21 0.22 -0.23 0.30 -0.04 6.97 7.22 2f27B1 GLN 220 HE22 0.06 0.35 0.37 -0.04 7.69 8.44 2f27B1 VAL 221 H -0.03 0.27 0.26 -0.55 8.24 8.19 2f27B1 VAL 221 HA 0.07 0.39 1.20 -0.75 4.13 5.03 2f27B1 VAL 221 HB 0.13 -0.05 -0.06 -0.04 2.12 2.10 2f27B1 VAL 221 HG13 0.02 -0.02 -0.27 -0.04 0.97 0.66 2f27B1 VAL 221 HG23 0.05 -0.01 -0.08 -0.04 0.95 0.87 2f27B1 ALA 222 H 0.13 0.55 0.34 -0.55 8.40 8.87 2f27B1 ALA 222 HA 0.17 0.13 0.76 -0.75 4.34 4.65 2f27B1 ALA 222 HB3 0.18 0.03 -0.16 -0.04 1.41 1.42 2f27B1 GLU 223 H 0.12 0.20 0.19 -0.55 8.60 8.57 2f27B1 GLU 223 HA 0.08 0.28 1.05 -0.75 4.29 4.94 2f27B1 GLU 223 HB2 0.08 -0.03 -0.05 -0.04 2.09 2.05 2f27B1 GLU 223 HB3 0.09 0.03 0.11 -0.04 1.99 2.18 2f27B1 GLU 223 HG2 0.05 0.03 -0.26 -0.04 2.34 2.11 2f27B1 GLU 223 HG3 0.04 0.00 -0.10 -0.04 2.34 2.25 2f27B1 VAL 224 H 0.04 0.73 0.38 -0.55 8.24 8.84 2f27B1 VAL 224 HA 0.03 0.16 0.90 -0.75 4.13 4.47 2f27B1 VAL 224 HB 0.02 -0.02 -0.04 -0.04 2.12 2.04 2f27B1 VAL 224 HG13 0.00 -0.00 -0.25 -0.04 0.97 0.68 2f27B1 VAL 224 HG23 0.03 -0.01 -0.35 -0.04 0.95 0.58 2f27B1 GLU 225 H 0.01 0.21 0.16 -0.55 8.60 8.44 2f27B1 GLU 225 HA 0.01 0.16 0.91 -0.75 4.29 4.62 2f27B1 GLU 225 HB2 0.00 0.03 0.18 -0.04 2.09 2.26 2f27B1 GLU 225 HB3 0.00 -0.03 0.03 -0.04 1.99 1.95 2f27B1 GLU 225 HG2 0.02 -0.03 -0.09 -0.04 2.34 2.20 2f27B1 GLU 225 HG3 0.02 -0.02 -0.08 -0.04 2.34 2.22 2f27B1 THR 226 H -0.00 0.67 0.32 -0.55 8.28 8.72 2f27B1 THR 226 HA -0.00 0.26 0.93 -0.75 4.39 4.83 2f27B1 THR 226 HB -0.01 0.07 0.22 -0.04 4.32 4.56 2f27B1 THR 226 HG23 -0.01 0.06 -0.08 -0.04 1.22 1.15 2f27B1 GLY 227 H -0.00 0.08 -0.26 -0.55 8.43 7.70 2f27B1 GLY 227 HA2 -0.00 0.03 0.33 -0.51 4.01 3.86 2f27B1 GLY 227 HA3 -0.00 0.21 0.50 -0.51 4.01 4.21 2f27B1 GLU 228 H -0.00 0.07 -1.00 -0.55 8.60 7.12 2f27B1 GLU 228 HA -0.00 0.20 0.83 -0.75 4.29 4.56 2f27B1 GLU 228 HB2 -0.01 0.06 0.01 -0.04 2.09 2.11 2f27B1 GLU 228 HB3 -0.01 -0.01 0.02 -0.04 1.99 1.95 2f27B1 GLU 228 HG2 -0.01 -0.03 -0.13 -0.04 2.34 2.13 2f27B1 GLU 228 HG3 -0.01 0.00 0.07 -0.04 2.34 2.37 2f27B1 GLN 229 H -0.00 0.03 0.07 -0.55 8.47 8.01 2f27B1 GLN 229 HA -0.00 0.11 0.44 -0.75 4.36 4.15 2f27B1 GLN 229 HB2 -0.01 0.02 0.15 -0.04 2.15 2.27 2f27B1 GLN 229 HB3 -0.01 0.18 -0.19 -0.04 2.02 1.96 2f27B1 GLN 229 HG2 -0.01 -0.12 -0.16 -0.04 2.40 2.08 2f27B1 GLN 229 HG3 -0.01 0.06 -0.44 -0.04 2.39 1.96 2f27B1 GLN 229 HE21 -0.01 -0.01 -0.06 -0.04 6.97 6.85 2f27B1 GLN 229 HE22 -0.01 -0.02 -0.09 -0.04 7.69 7.52 2f27B1 ARG 230 H -0.00 0.17 0.18 -0.55 8.46 8.25 2f27B1 ARG 230 HA 0.01 0.21 0.89 -0.75 4.34 4.70 2f27B1 ARG 230 HB2 0.00 -0.04 0.08 -0.04 1.90 1.90 2f27B1 ARG 230 HB3 0.02 0.01 -0.03 -0.04 1.80 1.75 2f27B1 ARG 230 HG2 0.01 0.01 -0.08 -0.04 1.67 1.57 2f27B1 ARG 230 HG3 0.01 -0.00 -0.01 -0.04 1.67 1.62 2f27B1 ARG 230 HD2 0.02 -0.00 -0.08 -0.04 3.22 3.12 2f27B1 ARG 230 HD3 0.02 0.14 -0.08 -0.04 3.22 3.24 2f27B1 VAL 231 H 0.01 0.79 0.43 -0.55 8.24 8.93 2f27B1 VAL 231 HA -0.01 0.21 1.03 -0.75 4.13 4.61 2f27B1 VAL 231 HB 0.01 0.04 0.03 -0.04 2.12 2.16 2f27B1 VAL 231 HG13 0.02 0.01 -0.22 -0.04 0.97 0.74 2f27B1 VAL 231 HG23 -0.01 -0.01 -0.24 -0.04 0.95 0.65 2f27B1 VAL 232 H -0.01 0.52 0.32 -0.55 8.24 8.53 2f27B1 VAL 232 HA 0.08 0.29 1.06 -0.75 4.13 4.81 2f27B1 VAL 232 HB -0.02 -0.15 0.13 -0.04 2.12 2.04 2f27B1 VAL 232 HG13 0.22 0.04 -0.27 -0.04 0.97 0.92 2f27B1 VAL 232 HG23 0.03 -0.02 -0.19 -0.04 0.95 0.73 2f27B1 THR 233 H 0.12 0.65 0.32 -0.55 8.28 8.82 2f27B1 THR 233 HA 0.15 0.22 1.00 -0.75 4.39 5.01 2f27B1 THR 233 HB 0.08 -0.06 -0.04 -0.04 4.32 4.26 2f27B1 THR 233 HG23 0.12 0.03 -0.06 -0.04 1.22 1.28 2f27B1 LEU 234 H 0.12 0.75 0.36 -0.55 8.37 9.06 2f27B1 LEU 234 HA -0.01 0.31 1.02 -0.75 4.35 4.91 2f27B1 LEU 234 HB2 -0.35 -0.07 -0.19 -0.04 1.64 0.99 2f27B1 LEU 234 HB3 -0.26 -0.09 0.02 -0.04 1.64 1.26 2f27B1 LEU 234 HG -0.24 0.09 -0.14 -0.04 1.64 1.31 2f27B1 LEU 234 HD13 -0.90 -0.02 -0.24 -0.04 0.93 -0.27 2f27B1 LEU 234 HD23 -0.22 0.00 -0.41 -0.04 0.89 0.22 2f27B1 ASN 235 H -0.04 0.62 0.31 -0.55 8.53 8.87 2f27B1 ASN 235 HA -0.11 0.26 1.01 -0.75 4.76 5.16 2f27B1 ASN 235 HB2 -0.01 -0.06 -0.12 -0.04 2.88 2.65 2f27B1 ASN 235 HB3 -0.01 -0.03 0.09 -0.04 2.79 2.79 2f27B1 ASN 235 HD21 -1.07 0.01 -0.15 -0.04 7.03 5.78 2f27B1 ASN 235 HD22 -0.25 -0.05 -0.15 -0.04 7.74 7.24 2f27B1 ALA 236 H -0.13 0.79 0.31 -0.55 8.40 8.82 2f27B1 ALA 236 HA -0.11 0.30 1.21 -0.75 4.34 4.99 2f27B1 ALA 236 HB3 -0.13 -0.01 -0.13 -0.04 1.41 1.09 2f27B1 ARG 237 H -0.14 0.69 0.15 -0.55 8.46 8.61 2f27B1 ARG 237 HA -0.09 0.10 0.53 -0.75 4.34 4.12 2f27B1 ARG 237 HB2 -0.09 0.07 -0.02 -0.04 1.90 1.81 2f27B1 ARG 237 HB3 -0.16 -0.08 0.05 -0.04 1.80 1.56 2f27B1 ARG 237 HG2 -0.07 0.02 -0.38 -0.04 1.67 1.21 2f27B1 ARG 237 HG3 -0.02 -0.03 -0.11 -0.04 1.67 1.48 2f27B1 ARG 237 HD2 -0.08 -0.11 -0.39 -0.04 3.22 2.60 2f27B1 ARG 237 HD3 -0.13 -0.18 -0.11 -0.04 3.22 2.76 2f27B1 SER 238 H -0.06 0.29 0.15 -0.55 8.46 8.30 2f27B1 SER 238 HA -0.00 0.13 0.64 -0.75 4.49 4.50 2f27B1 SER 238 HB2 -0.00 0.07 0.16 -0.04 3.95 4.14 2f27B1 SER 238 HB3 -0.07 0.05 -0.25 -0.04 3.93 3.63 2f27B1 HIS 239 H 0.37 0.23 0.11 -0.55 8.41 8.58 2f27B1 HIS 239 HA -0.02 0.09 0.56 -0.75 4.63 4.50 2f27B1 HIS 239 HB2 -0.01 0.26 0.33 -0.04 3.26 3.80 2f27B1 HIS 239 HB3 -0.02 -0.03 0.14 -0.04 3.20 3.25 2f27B1 HIS 239 HD2 -0.01 0.01 0.01 -0.04 6.97 6.93 2f27B1 HIS 239 HE1 -0.04 -0.02 0.03 -0.04 7.75 7.68 2f27B1 LEU 240 H -0.19 0.09 -0.38 -0.55 8.37 7.34 2f27B1 LEU 240 HA -0.31 0.17 0.59 -0.75 4.35 4.04 2f27B1 LEU 240 HB2 -0.17 0.08 -0.01 -0.04 1.64 1.50 2f27B1 LEU 240 HB3 -0.18 0.00 0.13 -0.04 1.64 1.55 2f27B1 LEU 240 HG -0.41 -0.07 -0.00 -0.04 1.64 1.11 2f27B1 LEU 240 HD13 -0.10 0.00 -0.02 -0.04 0.93 0.77 2f27B1 LEU 240 HD23 -0.45 0.02 -0.07 -0.04 0.89 0.35 2f27B1 ARG 241 H -0.10 0.15 -0.65 -0.55 8.46 7.31 2f27B1 ARG 241 HA -0.08 0.26 0.22 -0.75 4.34 3.98 2f27B1 ARG 241 HB2 -0.11 0.18 0.06 -0.04 1.90 1.99 2f27B1 ARG 241 HB3 -0.13 -0.02 0.21 -0.04 1.80 1.82 2f27B1 ARG 241 HG2 -0.09 -0.03 -0.36 -0.04 1.67 1.15 2f27B1 ARG 241 HG3 -0.10 -0.07 -0.07 -0.04 1.67 1.39 2f27B1 ARG 241 HD2 -0.12 0.18 0.04 -0.04 3.22 3.28 2f27B1 ARG 241 HD3 -0.05 0.01 -0.20 -0.04 3.22 2.94 2f27B1 ALA 242 H -0.12 0.12 -0.45 -0.55 8.40 7.40 2f27B1 ALA 242 HA -0.15 0.28 0.54 -0.75 4.34 4.26 2f27B1 ALA 242 HB3 -0.13 0.01 -0.27 -0.04 1.41 0.98 2f27B1 ARG 243 H -0.26 0.61 0.18 -0.55 8.46 8.43 2f27B1 ARG 243 HA -0.20 0.10 0.52 -0.75 4.34 4.00 2f27B1 ARG 243 HB2 -0.44 -0.07 0.05 -0.04 1.90 1.39 2f27B1 ARG 243 HB3 -0.36 0.02 -0.01 -0.04 1.80 1.42 2f27B1 ARG 243 HG2 -0.42 0.22 -0.13 -0.04 1.67 1.30 2f27B1 ARG 243 HG3 -0.65 -0.06 -0.11 -0.04 1.67 0.81 2f27B1 ARG 243 HD2 -0.26 -0.06 -0.10 -0.04 3.22 2.76 2f27B1 ARG 243 HD3 -0.60 0.07 -0.15 -0.04 3.22 2.49 2f27B1 VAL 244 H -0.16 0.61 0.27 -0.55 8.24 8.41 2f27B1 VAL 244 HA -0.10 0.24 0.85 -0.75 4.13 4.37 2f27B1 VAL 244 HB -0.10 0.01 -0.04 -0.04 2.12 1.95 2f27B1 VAL 244 HG13 -0.06 -0.03 -0.33 -0.04 0.97 0.51 2f27B1 VAL 244 HG23 -0.08 -0.00 -0.24 -0.04 0.95 0.60 2f27B1 GLN 245 H -0.06 0.66 0.32 -0.55 8.47 8.85 2f27B1 GLN 245 HA -0.05 0.38 1.11 -0.75 4.36 5.04 2f27B1 GLN 245 HB2 -0.05 -0.03 -0.12 -0.04 2.15 1.90 2f27B1 GLN 245 HB3 0.01 -0.01 0.05 -0.04 2.02 2.04 2f27B1 GLN 245 HG2 0.07 -0.01 -0.10 -0.04 2.40 2.32 2f27B1 GLN 245 HG3 0.06 0.05 0.02 -0.04 2.39 2.47 2f27B1 GLN 245 HE21 0.17 0.10 -0.08 -0.04 6.97 7.12 2f27B1 GLN 245 HE22 0.08 -0.06 -0.07 -0.04 7.69 7.60 2f27B1 ALA 246 H 0.01 0.59 0.37 -0.55 8.40 8.83 2f27B1 ALA 246 HA 0.07 0.26 0.62 -0.75 4.34 4.54 2f27B1 ALA 246 HB3 0.06 -0.03 -0.13 -0.04 1.41 1.27 2f27B1 GLN 247 H 0.16 0.65 0.27 -0.55 8.47 9.00 2f27B1 GLN 247 HA 0.20 0.35 1.11 -0.75 4.36 5.26 2f27B1 GLN 247 HB2 0.05 -0.02 -0.03 -0.04 2.15 2.12 2f27B1 GLN 247 HB3 0.04 -0.04 -0.07 -0.04 2.02 1.91 2f27B1 GLN 247 HG2 0.04 -0.03 -0.13 -0.04 2.40 2.25 2f27B1 GLN 247 HG3 0.09 0.13 -0.45 -0.04 2.39 2.11 2f27B1 GLN 247 HE21 0.03 0.05 -0.14 -0.04 6.97 6.87 2f27B1 GLN 247 HE22 0.06 -0.00 -0.30 -0.04 7.69 7.41 2f27B1 SER 248 H -0.01 0.60 0.35 -0.55 8.46 8.86 2f27B1 SER 248 HA -0.22 0.24 1.12 -0.75 4.49 4.87 2f27B1 SER 248 HB2 -1.48 0.20 -0.07 -0.04 3.95 2.55 2f27B1 SER 248 HB3 -0.50 0.01 0.15 -0.04 3.93 3.54 2f27B1 THR 249 H -0.10 0.24 0.17 -0.55 8.28 8.04 2f27B1 THR 249 HA -0.05 0.27 0.95 -0.75 4.39 4.80 2f27B1 THR 249 HB -0.03 0.04 0.17 -0.04 4.32 4.46 2f27B1 THR 249 HG23 -0.02 0.02 -0.09 -0.04 1.22 1.08 2f27B1 ASN 250 H -0.13 0.03 -0.09 -0.55 8.53 7.78 2f27B1 ASN 250 HA -0.05 0.32 0.94 -0.75 4.76 5.21 2f27B1 ASN 250 HB2 -0.06 0.06 0.17 -0.04 2.88 3.01 2f27B1 ASN 250 HB3 -0.05 0.10 -0.05 -0.04 2.79 2.75 2f27B1 ASN 250 HD21 -0.03 0.03 -0.03 -0.04 7.03 6.97 2f27B1 ASN 250 HD22 -0.03 0.09 -0.00 -0.04 7.74 7.76 2f27B1 ASP 251 H -0.07 0.24 -0.28 -0.55 8.40 7.74 2f27B1 ASP 251 HA -0.04 0.05 0.19 -0.75 4.63 4.08 2f27B1 ASP 251 HB2 0.00 0.13 -0.20 -0.04 2.71 2.61 2f27B1 ASP 251 HB3 0.03 0.01 0.10 -0.04 2.70 2.80 2f27B1 GLY 252 H -0.27 -0.02 -0.29 -0.55 8.43 7.30 2f27B1 GLY 252 HA2 -0.46 0.04 0.12 -0.51 4.01 3.20 2f27B1 GLY 252 HA3 -0.01 0.21 0.46 -0.51 4.01 4.15 2f27B1 LEU 253 H -0.13 0.31 -0.33 -0.55 8.37 7.67 2f27B1 LEU 253 HA -0.14 0.10 0.48 -0.75 4.35 4.04 2f27B1 LEU 253 HB2 -0.07 0.06 0.05 -0.04 1.64 1.65 2f27B1 LEU 253 HB3 -0.09 -0.07 0.10 -0.04 1.64 1.54 2f27B1 LEU 253 HG -0.18 -0.02 -0.16 -0.04 1.64 1.24 2f27B1 LEU 253 HD13 -0.29 -0.01 0.07 -0.04 0.93 0.65 2f27B1 LEU 253 HD23 -0.03 -0.01 -0.02 -0.04 0.89 0.79 2f27B1 ASP 254 H -0.20 -0.01 -0.06 -0.55 8.40 7.58 2f27B1 ASP 254 HA 0.09 0.26 0.86 -0.75 4.63 5.08 2f27B1 ASP 254 HB2 -0.03 -0.14 0.04 -0.04 2.71 2.53 2f27B1 ASP 254 HB3 0.04 0.07 -0.09 -0.04 2.70 2.68 2f27B1 PHE 255 H 0.21 0.33 0.01 -0.55 8.34 8.33 2f27B1 PHE 255 HA 0.03 0.19 0.76 -0.75 4.62 4.84 2f27B1 PHE 255 HB2 0.05 0.09 -0.10 -0.04 3.15 3.15 2f27B1 PHE 255 HB3 0.03 -0.02 -0.14 -0.04 3.06 2.89 2f27B1 PHE 255 HD2 0.02 0.08 -0.40 -0.04 7.28 6.95 2f27B1 PHE 255 HE2 0.00 0.09 -0.26 -0.04 7.38 7.18 2f27B1 PHE 255 HZ -0.00 -0.02 -0.24 -0.04 7.32 7.02 2f27B1 GLN 256 H 0.09 0.93 0.37 -0.55 8.47 9.33 2f27B1 GLN 256 HA 0.08 0.19 0.98 -0.75 4.36 4.86 2f27B1 GLN 256 HB2 0.03 0.04 0.05 -0.04 2.15 2.22 2f27B1 GLN 256 HB3 0.03 -0.08 0.17 -0.04 2.02 2.10 2f27B1 GLN 256 HG2 0.04 0.05 -0.04 -0.04 2.40 2.41 2f27B1 GLN 256 HG3 0.03 -0.08 -0.46 -0.04 2.39 1.84 2f27B1 GLN 256 HE21 0.01 0.00 -0.02 -0.04 6.97 6.91 2f27B1 GLN 256 HE22 0.02 0.03 -0.00 -0.04 7.69 7.68 2f27B1 GLU 257 H 0.04 0.14 0.18 -0.55 8.60 8.41 2f27B1 GLU 257 HA 0.02 0.05 0.35 -0.75 4.29 3.96 2f27B1 GLU 257 HB2 0.04 0.10 0.01 -0.04 2.09 2.19 2f27B1 GLU 257 HB3 0.02 0.04 0.15 -0.04 1.99 2.15 2f27B1 GLU 257 HG2 0.02 -0.11 -0.29 -0.04 2.34 1.92 2f27B1 GLU 257 HG3 0.01 0.03 -0.08 -0.04 2.34 2.26 2f27B1 SER 258 H 0.05 -0.08 -0.33 -0.55 8.46 7.55 2f27B1 SER 258 HA 0.03 0.39 0.58 -0.75 4.49 4.73 2f27B1 SER 258 HB2 0.00 0.02 -0.15 -0.04 3.95 3.79 2f27B1 SER 258 HB3 0.05 -0.10 -0.07 -0.04 3.93 3.76 2f27B1 GLN 259 H -0.02 0.48 0.38 -0.55 8.47 8.77 2f27B1 GLN 259 HA -0.02 0.01 0.46 -0.75 4.36 4.05 2f27B1 GLN 259 HB2 -0.02 -0.05 0.14 -0.04 2.15 2.18 2f27B1 GLN 259 HB3 -0.01 0.11 -0.11 -0.04 2.02 1.97 2f27B1 GLN 259 HG2 0.00 0.20 -0.06 -0.04 2.40 2.50 2f27B1 GLN 259 HG3 -0.01 -0.03 -0.19 -0.04 2.39 2.12 2f27B1 GLN 259 HE21 -0.00 -0.11 0.01 -0.04 6.97 6.82 2f27B1 GLN 259 HE22 -0.01 0.30 0.01 -0.04 7.69 7.94 2f27B1 LEU 260 H -0.04 0.08 0.15 -0.55 8.37 8.01 2f27B1 LEU 260 HA -0.09 0.30 0.59 -0.75 4.35 4.40 2f27B1 LEU 260 HB2 -0.06 -0.07 0.08 -0.04 1.64 1.54 2f27B1 LEU 260 HB3 -0.09 0.04 -0.10 -0.04 1.64 1.45 2f27B1 LEU 260 HG -0.06 -0.08 -0.02 -0.04 1.64 1.44 2f27B1 LEU 260 HD13 -0.08 0.01 -0.03 -0.04 0.93 0.78 2f27B1 LEU 260 HD23 -0.10 0.02 -0.20 -0.04 0.89 0.57 2f27B1 VAL 261 H -0.14 0.70 0.10 -0.55 8.24 8.35 2f27B1 VAL 261 HA -0.06 0.10 0.82 -0.75 4.13 4.24 2f27B1 VAL 261 HB -0.30 0.02 0.16 -0.04 2.12 1.96 2f27B1 VAL 261 HG13 -0.14 -0.04 -0.03 -0.04 0.97 0.72 2f27B1 VAL 261 HG23 -0.07 0.03 -0.19 -0.04 0.95 0.68 2f27B1 LYS 262 H -0.06 0.19 -0.08 -0.55 8.42 7.91 2f27B1 LYS 262 HA -0.10 0.14 0.28 -0.75 4.32 3.89 2f27B1 LYS 262 HB2 -0.04 -0.01 -0.01 -0.04 1.87 1.77 2f27B1 LYS 262 HB3 -0.05 0.04 0.02 -0.04 1.79 1.76 2f27B1 LYS 262 HG2 -0.06 0.02 -0.08 -0.04 1.46 1.29 2f27B1 LYS 262 HG3 -0.05 0.00 -0.02 -0.04 1.46 1.36 2f27B1 LYS 262 HD2 -0.04 -0.02 -0.03 -0.04 1.69 1.57 2f27B1 LYS 262 HD3 -0.03 -0.01 -0.02 -0.04 1.68 1.57 2f27B1 LYS 262 HE2 -0.04 -0.03 -0.02 -0.04 2.99 2.86 2f27B1 LYS 262 HE3 -0.05 0.03 -0.02 -0.04 2.99 2.91 2f27B1 LYS 263 H -0.05 0.03 -0.34 -0.55 8.42 7.51 2f27B1 LYS 263 HA 0.00 0.04 0.37 -0.75 4.32 3.98 2f27B1 LYS 263 HB2 0.02 -0.03 -0.03 -0.04 1.87 1.79 2f27B1 LYS 263 HB3 0.09 0.12 -0.06 -0.04 1.79 1.90 2f27B1 LYS 263 HG2 0.05 -0.02 -0.00 -0.04 1.46 1.45 2f27B1 LYS 263 HG3 0.03 -0.14 -0.01 -0.04 1.46 1.29 2f27B1 LYS 263 HD2 0.12 -0.05 0.03 -0.04 1.69 1.75 2f27B1 LYS 263 HD3 0.17 0.34 -0.01 -0.04 1.68 2.13 2f27B1 LYS 263 HE2 0.05 0.20 0.00 -0.04 2.99 3.21 2f27B1 LYS 263 HE3 0.06 -0.07 -0.02 -0.04 2.99 2.92 2f27B1 LEU 264 H -0.23 0.38 -0.43 -0.55 8.37 7.54 2f27B1 LEU 264 HA -0.35 0.15 0.76 -0.75 4.35 4.16 2f27B1 LEU 264 HB2 -0.55 -0.06 0.20 -0.04 1.64 1.19 2f27B1 LEU 264 HB3 -0.77 0.04 -0.03 -0.04 1.64 0.83 2f27B1 LEU 264 HG -0.73 -0.08 -0.13 -0.04 1.64 0.66 2f27B1 LEU 264 HD13 -1.91 -0.01 -0.12 -0.04 0.93 -1.16 2f27B1 LEU 264 HD23 -1.08 0.04 -0.28 -0.04 0.89 -0.47 2f27B1 VAL 265 H -0.04 0.17 -0.00 -0.55 8.24 7.82 2f27B1 VAL 265 HA -0.11 0.16 0.41 -0.75 4.13 3.84 2f27B1 VAL 265 HB -0.04 -0.01 0.03 -0.04 2.12 2.05 2f27B1 VAL 265 HG13 0.06 0.03 -0.23 -0.04 0.97 0.79 2f27B1 VAL 265 HG23 -0.11 0.00 -0.11 -0.04 0.95 0.69 2f27B1 GLU 266 H -0.08 0.46 -0.13 -0.55 8.60 8.30 2f27B1 GLU 266 HA 0.14 0.19 0.69 -0.75 4.29 4.56 2f27B1 GLU 266 HB2 -0.07 -0.24 -0.33 -0.04 2.09 1.40 2f27B1 GLU 266 HB3 -0.00 0.06 -0.09 -0.04 1.99 1.91 2f27B1 GLU 266 HG2 -0.20 0.11 -0.54 -0.04 2.34 1.68 2f27B1 GLU 266 HG3 -0.11 0.01 -0.41 -0.04 2.34 1.79 2f27B1 PRO 267 HA -0.03 0.29 0.43 -0.51 4.44 4.62 2f27B1 PRO 267 HB2 0.07 0.08 -0.35 -0.04 2.28 2.03 2f27B1 PRO 267 HB3 0.06 0.16 -0.31 -0.04 2.02 1.89 2f27B1 PRO 267 HG2 0.06 -0.04 -0.26 -0.04 2.03 1.75 2f27B1 PRO 267 HG3 0.04 -0.03 -0.24 -0.04 2.03 1.76 2f27B1 PRO 267 HD2 0.15 -0.07 0.12 -0.04 3.68 3.83 2f27B1 PRO 267 HD3 0.14 0.28 -0.03 -0.04 3.65 4.00 2f27B1 PRO 268 HA 0.05 0.06 0.47 -0.51 4.44 4.50 2f27B1 PRO 268 HB2 0.09 -0.03 0.11 -0.04 2.28 2.41 2f27B1 PRO 268 HB3 0.04 0.07 0.10 -0.04 2.02 2.19 2f27B1 PRO 268 HG2 0.15 0.03 0.05 -0.04 2.03 2.22 2f27B1 PRO 268 HG3 0.19 -0.00 0.13 -0.04 2.03 2.30 2f27B1 PRO 268 HD2 0.08 0.06 0.07 -0.04 3.68 3.84 2f27B1 PRO 268 HD3 -0.06 0.32 0.25 -0.04 3.65 4.12 2f27B1 PRO 269 HA 0.07 0.09 0.43 -0.51 4.44 4.51 2f27B1 PRO 269 HB2 0.06 0.04 0.03 -0.04 2.28 2.36 2f27B1 PRO 269 HB3 0.06 0.01 0.11 -0.04 2.02 2.16 2f27B1 PRO 269 HG2 0.05 0.02 0.07 -0.04 2.03 2.12 2f27B1 PRO 269 HG3 0.04 0.00 0.07 -0.04 2.03 2.11 2f27B1 PRO 269 HD2 0.06 0.12 0.47 -0.04 3.68 4.30 2f27B1 PRO 269 HD3 0.07 0.08 0.01 -0.04 3.65 3.76 2f27B1 GLN 270 H 0.06 0.21 -0.09 -0.55 8.47 8.11 2f27B1 GLN 270 HA 0.11 0.15 0.79 -0.75 4.36 4.66 2f27B1 GLN 270 HB2 0.04 -0.04 0.07 -0.04 2.15 2.18 2f27B1 GLN 270 HB3 0.06 0.04 -0.11 -0.04 2.02 1.96 2f27B1 GLN 270 HG2 0.05 -0.06 -0.08 -0.04 2.40 2.27 2f27B1 GLN 270 HG3 0.05 0.08 -0.10 -0.04 2.39 2.37 2f27B1 GLN 270 HE21 0.05 -0.03 -0.06 -0.04 6.97 6.89 2f27B1 GLN 270 HE22 0.04 -0.00 -0.05 -0.04 7.69 7.64 2f27B1 GLY 271 H 0.05 0.35 0.01 -0.55 8.43 8.30 2f27B1 GLY 271 HA2 0.06 0.18 0.30 -0.51 4.01 4.04 2f27B1 GLY 271 HA3 0.04 0.06 0.38 -0.51 4.01 3.98 2f27B1 CYS 272 H 0.15 0.31 0.19 -0.55 8.50 8.61 2f27B1 CYS 272 HA 0.09 0.04 0.73 -0.75 4.58 4.68 2f27B1 CYS 272 HB2 0.04 -0.01 -0.17 -0.04 2.97 2.79 2f27B1 CYS 272 HB3 -0.14 0.09 0.01 -0.04 2.97 2.89 2f27B1 GLN 273 H -0.45 0.00 0.14 -0.55 8.47 7.61 2f27B1 GLN 273 HA -0.22 0.09 0.48 -0.75 4.36 3.95 2f27B1 GLN 273 HB2 -0.97 -0.04 0.16 -0.04 2.15 1.26 2f27B1 GLN 273 HB3 -2.05 -0.15 0.16 -0.04 2.02 -0.06 2f27B1 GLN 273 HG2 -0.22 0.07 0.10 -0.04 2.40 2.31 2f27B1 GLN 273 HG3 -0.30 0.02 0.04 -0.04 2.39 2.11 2f27B1 GLN 273 HE21 0.06 0.31 0.04 -0.04 6.97 7.34 2f27B1 GLN 273 HE22 -0.00 0.15 0.02 -0.04 7.69 7.82 2f27B1 GLY 274 H -0.05 0.27 0.24 -0.55 8.43 8.35 2f27B1 GLY 274 HA2 0.00 0.12 0.79 -0.51 4.01 4.41 2f27B1 GLY 274 HA3 0.20 0.08 0.35 -0.51 4.01 4.12 2f27B1 SER 275 H -0.06 0.51 0.32 -0.55 8.46 8.68 2f27B1 SER 275 HA 0.13 0.24 1.10 -0.75 4.49 5.22 2f27B1 SER 275 HB2 0.14 0.32 -0.08 -0.04 3.95 4.29 2f27B1 SER 275 HB3 0.11 -0.09 -0.06 -0.04 3.93 3.86 2f27B1 VAL 276 H 0.24 0.28 0.25 -0.55 8.24 8.46 2f27B1 VAL 276 HA 0.31 0.33 1.06 -0.75 4.13 5.07 2f27B1 VAL 276 HB 0.27 0.01 -0.17 -0.04 2.12 2.19 2f27B1 VAL 276 HG13 0.16 -0.01 -0.19 -0.04 0.97 0.89 2f27B1 VAL 276 HG23 0.35 0.01 -0.13 -0.04 0.95 1.13 2f27B1 ILE 277 H 0.30 0.65 0.38 -0.55 8.25 9.04 2f27B1 ILE 277 HA 0.29 0.18 0.79 -0.75 4.18 4.69 2f27B1 ILE 277 HB 0.23 0.05 0.13 -0.04 1.89 2.26 2f27B1 ILE 277 HG12 0.18 0.01 -0.14 -0.04 1.49 1.51 2f27B1 ILE 277 HG13 0.33 -0.05 -0.27 -0.04 1.21 1.18 2f27B1 ILE 277 HG23 0.13 -0.03 -0.27 -0.04 0.93 0.72 2f27B1 ILE 277 HD13 0.20 -0.02 -0.28 -0.04 0.88 0.73 2f27B1 SER 278 H 0.23 0.16 0.29 -0.55 8.46 8.60 2f27B1 SER 278 HA 0.17 0.36 1.07 -0.75 4.49 5.34 2f27B1 SER 278 HB2 0.06 0.03 0.11 -0.04 3.95 4.10 2f27B1 SER 278 HB3 0.12 -0.09 -0.06 -0.04 3.93 3.86 2f27B1 PHE 279 H -0.17 0.62 0.37 -0.55 8.34 8.61 2f27B1 PHE 279 HA 0.10 0.10 0.68 -0.75 4.62 4.74 2f27B1 PHE 279 HB2 0.12 0.01 0.11 -0.04 3.15 3.35 2f27B1 PHE 279 HB3 0.31 -0.01 -0.18 -0.04 3.06 3.14 2f27B1 PHE 279 HD2 0.17 0.11 -0.30 -0.04 7.28 7.21 2f27B1 PHE 279 HE2 0.16 0.04 -0.33 -0.04 7.38 7.21 2f27B1 PHE 279 HZ 0.52 0.01 -0.16 -0.04 7.32 7.65 2f27B1 PRO 280 HA -0.09 0.17 0.65 -0.51 4.44 4.65 2f27B1 PRO 280 HB2 0.01 0.00 0.08 -0.04 2.28 2.33 2f27B1 PRO 280 HB3 -0.03 0.09 0.12 -0.04 2.02 2.16 2f27B1 PRO 280 HG2 0.03 -0.01 0.09 -0.04 2.03 2.11 2f27B1 PRO 280 HG3 0.04 0.03 0.11 -0.04 2.03 2.16 2f27B1 PRO 280 HD2 0.18 0.07 0.22 -0.04 3.68 4.11 2f27B1 PRO 280 HD3 0.16 0.09 0.26 -0.04 3.65 4.12 2f27B1 SER 281 H -0.30 0.63 0.35 -0.55 8.46 8.60 2f27B1 SER 281 HA -1.26 0.02 0.44 -0.75 4.49 2.95 2f27B1 SER 281 HB2 -0.81 -0.07 -0.27 -0.04 3.95 2.76 2f27B1 SER 281 HB3 -0.36 0.18 0.02 -0.04 3.93 3.73 2f27B1 PRO 282 HA -0.16 0.08 0.45 -0.51 4.44 4.30 2f27B1 PRO 282 HB2 -0.33 0.05 -0.01 -0.04 2.28 1.95 2f27B1 PRO 282 HB3 -0.08 -0.01 0.10 -0.04 2.02 2.00 2f27B1 PRO 282 HG2 -0.28 0.01 0.05 -0.04 2.03 1.77 2f27B1 PRO 282 HG3 -0.08 0.02 0.08 -0.04 2.03 2.00 2f27B1 PRO 282 HD2 -2.40 0.08 0.18 -0.04 3.68 1.50 2f27B1 PRO 282 HD3 -1.17 0.14 0.24 -0.04 3.65 2.82 2f27B1 ARG 283 H -0.43 0.04 -0.41 -0.55 8.46 7.10 2f27B1 ARG 283 HA -0.08 0.14 0.42 -0.75 4.34 4.07 2f27B1 ARG 283 HB2 0.00 -0.01 0.07 -0.04 1.90 1.92 2f27B1 ARG 283 HB3 -0.04 0.09 -0.13 -0.04 1.80 1.67 2f27B1 ARG 283 HG2 -0.03 -0.09 -0.09 -0.04 1.67 1.42 2f27B1 ARG 283 HG3 0.14 0.08 0.06 -0.04 1.67 1.91 2f27B1 ARG 283 HD2 0.07 -0.03 0.01 -0.04 3.22 3.24 2f27B1 ARG 283 HD3 0.03 0.03 -0.03 -0.04 3.22 3.21 2f27B1 SER 288 HA 0.02 -0.09 0.29 -0.75 4.49 3.96 2f27B1 SER 288 HB2 0.03 0.03 0.13 -0.04 3.95 4.10 2f27B1 SER 288 HB3 0.01 -0.07 -0.00 -0.04 3.93 3.83 2f27B1 PRO 289 HA 0.03 -0.04 0.56 -0.51 4.44 4.48 2f27B1 PRO 289 HB2 0.10 0.06 0.07 -0.04 2.28 2.47 2f27B1 PRO 289 HB3 0.04 -0.03 0.13 -0.04 2.02 2.12 2f27B1 PRO 289 HG2 0.42 -0.03 -0.02 -0.04 2.03 2.37 2f27B1 PRO 289 HG3 0.14 0.19 0.15 -0.04 2.03 2.46 2f27B1 PRO 289 HD2 0.16 0.22 0.16 -0.04 3.68 4.18 2f27B1 PRO 289 HD3 0.06 0.00 0.18 -0.04 3.65 3.84 2f27B1 ALA 290 H 0.00 0.21 0.28 -0.55 8.40 8.35 2f27B1 ALA 290 HA -0.05 0.21 0.58 -0.75 4.34 4.32 2f27B1 ALA 290 HB3 -0.02 -0.03 0.16 -0.04 1.41 1.48 2f27B1 GLN 291 H 0.00 0.16 0.09 -0.55 8.47 8.18 2f27B1 GLN 291 HA -0.20 0.20 1.09 -0.75 4.36 4.69 2f27B1 GLN 291 HB2 -0.01 -0.16 0.11 -0.04 2.15 2.05 2f27B1 GLN 291 HB3 -0.06 0.07 0.12 -0.04 2.02 2.11 2f27B1 GLN 291 HG2 0.02 0.00 -0.10 -0.04 2.40 2.28 2f27B1 GLN 291 HG3 -0.04 0.11 -0.22 -0.04 2.39 2.19 2f27B1 GLN 291 HE21 -0.00 -0.05 -0.03 -0.04 6.97 6.84 2f27B1 GLN 291 HE22 -0.02 0.17 -0.15 -0.04 7.69 7.65 2f27B1 TRP 292 H -0.49 0.54 0.30 -0.55 7.97 7.78 2f27B1 TRP 292 HA -0.31 0.23 0.90 -0.75 4.62 4.69 2f27B1 TRP 292 HB2 -1.23 -0.03 -0.03 -0.04 3.23 1.89 2f27B1 TRP 292 HB3 -0.36 0.03 0.03 -0.04 3.23 2.88 2f27B1 TRP 292 HD1 -0.21 0.19 -0.53 -0.04 7.22 6.63 2f27B1 TRP 292 HE1 -0.11 0.12 -0.01 -0.04 10.20 10.15 2f27B1 TRP 292 HE3 0.18 -0.02 -0.07 -0.04 7.59 7.64 2f27B1 TRP 292 HZ2 -0.08 0.03 0.03 -0.04 7.44 7.38 2f27B1 TRP 292 HZ3 0.01 -0.01 -0.01 -0.04 7.13 7.08 2f27B1 TRP 292 HH2 -0.09 0.04 0.02 -0.04 7.19 7.12 2f27B1 LEU 293 H -0.14 0.52 0.32 -0.55 8.37 8.53 2f27B1 LEU 293 HA 0.17 0.30 1.22 -0.75 4.35 5.29 2f27B1 LEU 293 HB2 -0.26 -0.06 0.04 -0.04 1.64 1.31 2f27B1 LEU 293 HB3 0.28 0.08 -0.02 -0.04 1.64 1.93 2f27B1 LEU 293 HG -0.09 -0.03 -0.21 -0.04 1.64 1.27 2f27B1 LEU 293 HD13 -0.02 -0.01 -0.15 -0.04 0.93 0.72 2f27B1 LEU 293 HD23 0.11 0.01 -0.24 -0.04 0.89 0.73 2f27B1 LEU 294 H 0.38 0.61 0.35 -0.55 8.37 9.16 2f27B1 LEU 294 HA 0.38 0.34 0.96 -0.75 4.35 5.27 2f27B1 LEU 294 HB2 0.05 -0.03 -0.15 -0.04 1.64 1.47 2f27B1 LEU 294 HB3 0.02 -0.08 -0.07 -0.04 1.64 1.47 2f27B1 LEU 294 HG 0.09 0.02 -0.13 -0.04 1.64 1.57 2f27B1 LEU 294 HD13 0.21 0.08 -0.10 -0.04 0.93 1.07 2f27B1 LEU 294 HD23 -0.94 -0.02 -0.21 -0.04 0.89 -0.33 2f27B1 TYR 295 H 0.44 0.48 0.30 -0.55 8.29 8.95 2f27B1 TYR 295 HA 0.13 0.35 0.99 -0.75 4.56 5.28 2f27B1 TYR 295 HB2 0.01 -0.02 -0.11 -0.04 3.06 2.89 2f27B1 TYR 295 HB3 -0.11 -0.03 -0.08 -0.04 2.98 2.72 2f27B1 TYR 295 HD2 -0.45 -0.03 -0.22 -0.04 7.15 6.41 2f27B1 TYR 295 HE2 -0.78 -0.01 -0.20 -0.04 6.85 5.82 2f27B1 THR 296 H -0.21 0.46 0.33 -0.55 8.28 8.31 2f27B1 THR 296 HA -0.09 0.48 1.19 -0.75 4.39 5.21 2f27B1 THR 296 HB -0.06 -0.00 -0.05 -0.04 4.32 4.17 2f27B1 THR 296 HG23 0.08 -0.02 -0.23 -0.04 1.22 1.01 2f27B1 HIS 297 H -0.07 0.46 0.31 -0.55 8.41 8.57 2f27B1 HIS 297 HA -0.16 0.09 0.52 -0.75 4.63 4.33 2f27B1 HIS 297 HB2 -0.75 0.07 -0.24 -0.04 3.26 2.30 2f27B1 HIS 297 HB3 -0.36 -0.01 -0.22 -0.04 3.20 2.57 2f27B1 HIS 297 HD2 -0.07 -0.12 -0.26 -0.04 6.97 6.47 2f27B1 HIS 297 HE1 -0.02 -0.09 0.10 -0.04 7.75 7.70 2f27B1 PRO 298 HA -0.05 0.00 0.20 -0.51 4.44 4.08 2f27B1 PRO 298 HB2 -0.12 0.07 0.06 -0.04 2.28 2.25 2f27B1 PRO 298 HB3 -0.05 -0.12 0.12 -0.04 2.02 1.92 2f27B1 PRO 298 HG2 -0.21 -0.05 0.05 -0.04 2.03 1.79 2f27B1 PRO 298 HG3 -0.13 -0.00 -0.20 -0.04 2.03 1.65 2f27B1 PRO 298 HD2 -1.55 0.15 0.15 -0.04 3.68 2.39 2f27B1 PRO 298 HD3 -0.41 0.21 0.15 -0.04 3.65 3.56 2f27B1 THR 299 H 0.05 0.46 0.37 -0.55 8.28 8.60 2f27B1 THR 299 HA 0.17 0.26 0.90 -0.75 4.39 4.97 2f27B1 THR 299 HB 0.03 -0.07 0.14 -0.04 4.32 4.38 2f27B1 THR 299 HG23 0.03 0.01 -0.04 -0.04 1.22 1.18 2f27B1 HIS 300 H 0.14 0.19 0.12 -0.55 8.41 8.32 2f27B1 HIS 300 HA 0.01 0.02 0.52 -0.75 4.63 4.43 2f27B1 HIS 300 HB2 0.02 0.06 0.12 -0.04 3.26 3.43 2f27B1 HIS 300 HB3 0.04 0.41 0.16 -0.04 3.20 3.77 2f27B1 HIS 300 HD2 0.05 -0.00 -0.07 -0.04 6.97 6.90 2f27B1 HIS 300 HE1 0.45 0.05 0.00 -0.04 7.75 8.21 2f27B1 SER 301 H -0.27 0.07 0.18 -0.55 8.46 7.90 2f27B1 SER 301 HA -0.18 0.29 0.56 -0.75 4.49 4.41 2f27B1 SER 301 HB2 -0.66 0.04 0.11 -0.04 3.95 3.40 2f27B1 SER 301 HB3 -0.32 0.08 0.05 -0.04 3.93 3.70 2f27B1 TRP 302 H 0.61 -0.10 -0.08 -0.55 7.97 7.86 2f27B1 TRP 302 HA 0.09 0.28 0.97 -0.75 4.62 5.20 2f27B1 TRP 302 HB2 0.24 -0.06 0.03 -0.04 3.23 3.40 2f27B1 TRP 302 HB3 0.08 0.01 0.03 -0.04 3.23 3.31 2f27B1 TRP 302 HD1 0.15 -0.03 0.01 -0.04 7.22 7.30 2f27B1 TRP 302 HE1 0.00 0.01 -0.02 -0.04 10.20 10.16 2f27B1 TRP 302 HE3 0.04 0.02 0.06 -0.04 7.59 7.67 2f27B1 TRP 302 HZ2 0.01 -0.01 -0.02 -0.04 7.44 7.38 2f27B1 TRP 302 HZ3 0.02 -0.01 0.01 -0.04 7.13 7.12 2f27B1 TRP 302 HH2 0.01 -0.01 -0.00 -0.04 7.19 7.15 2f27B1 GLN 303 H 0.19 0.02 -0.01 -0.55 8.47 8.11 2f27B1 GLN 303 HA 0.06 0.29 0.68 -0.75 4.36 4.63 2f27B1 GLN 303 HB2 -0.05 -0.07 0.08 -0.04 2.15 2.06 2f27B1 GLN 303 HB3 -0.00 0.09 -0.20 -0.04 2.02 1.87 2f27B1 GLN 303 HG2 -0.85 -0.12 -0.10 -0.04 2.40 1.29 2f27B1 GLN 303 HG3 -0.35 0.01 -0.34 -0.04 2.39 1.67 2f27B1 GLN 303 HE21 -0.09 0.01 -0.06 -0.04 6.97 6.79 2f27B1 GLN 303 HE22 -0.28 -0.03 -0.11 -0.04 7.69 7.23 2f27B1 ARG 304 H -0.01 0.12 0.09 -0.55 8.46 8.11 2f27B1 ARG 304 HA -0.01 0.20 0.74 -0.75 4.34 4.52 2f27B1 ARG 304 HB2 0.00 -0.15 0.22 -0.04 1.90 1.94 2f27B1 ARG 304 HB3 0.00 0.28 0.22 -0.04 1.80 2.25 2f27B1 ARG 304 HG2 0.04 0.12 -0.04 -0.04 1.67 1.74 2f27B1 ARG 304 HG3 0.06 -0.02 -0.02 -0.04 1.67 1.65 2f27B1 ARG 304 HD2 0.20 -0.07 0.03 -0.04 3.22 3.34 2f27B1 ARG 304 HD3 0.18 -0.08 0.06 -0.04 3.22 3.34 2f27B1 ALA 305 H 0.02 0.38 0.28 -0.55 8.40 8.53 2f27B1 ALA 305 HA -0.03 0.07 0.70 -0.75 4.34 4.33 2f27B1 ALA 305 HB3 -0.03 -0.03 -0.21 -0.04 1.41 1.09 2f27B1 ASP 306 H -0.00 0.59 0.17 -0.55 8.40 8.60 2f27B1 ASP 306 HA -0.04 0.35 0.55 -0.75 4.63 4.75 2f27B1 ASP 306 HB2 0.05 0.05 0.03 -0.04 2.71 2.80 2f27B1 ASP 306 HB3 -0.01 0.07 0.09 -0.04 2.70 2.81 2f27B1 LEU 307 H -0.14 0.17 0.06 -0.55 8.37 7.91 2f27B1 LEU 307 HA -0.12 0.11 0.18 -0.75 4.35 3.76 2f27B1 LEU 307 HB2 -0.36 -0.01 -0.03 -0.04 1.64 1.20 2f27B1 LEU 307 HB3 -0.41 -0.13 0.01 -0.04 1.64 1.07 2f27B1 LEU 307 HG -0.20 0.09 -0.25 -0.04 1.64 1.24 2f27B1 LEU 307 HD13 -0.12 0.00 -0.29 -0.04 0.93 0.48 2f27B1 LEU 307 HD23 -0.54 -0.02 -0.22 -0.04 0.89 0.07 2f27B1 GLY 308 H -0.04 0.63 0.32 -0.55 8.43 8.79 2f27B1 GLY 308 HA2 -0.17 0.14 1.11 -0.51 4.01 4.58 2f27B1 GLY 308 HA3 -0.16 0.07 0.30 -0.51 4.01 3.71 2f27B1 ALA 309 H -0.17 0.51 0.36 -0.55 8.40 8.56 2f27B1 ALA 309 HA 0.13 0.29 1.02 -0.75 4.34 5.03 2f27B1 ALA 309 HB3 0.03 -0.02 -0.01 -0.04 1.41 1.36 2f27B1 TYR 310 H 0.51 0.70 0.37 -0.55 8.29 9.32 2f27B1 TYR 310 HA 0.39 0.22 0.82 -0.75 4.56 5.24 2f27B1 TYR 310 HB2 0.34 -0.07 -0.06 -0.04 3.06 3.23 2f27B1 TYR 310 HB3 0.39 0.06 -0.14 -0.04 2.98 3.24 2f27B1 TYR 310 HD2 0.09 0.19 -0.24 -0.04 7.15 7.15 2f27B1 TYR 310 HE2 0.00 0.13 -0.08 -0.04 6.85 6.87 2f27B1 LEU 311 H 0.19 0.22 0.12 -0.55 8.37 8.35 2f27B1 LEU 311 HA 0.12 0.31 1.02 -0.75 4.35 5.05 2f27B1 LEU 311 HB2 -1.69 -0.01 -0.06 -0.04 1.64 -0.16 2f27B1 LEU 311 HB3 -0.63 -0.01 0.06 -0.04 1.64 1.02 2f27B1 LEU 311 HG -0.46 -0.03 -0.08 -0.04 1.64 1.02 2f27B1 LEU 311 HD13 -0.37 -0.00 -0.10 -0.04 0.93 0.41 2f27B1 LEU 311 HD23 0.29 -0.01 -0.07 -0.04 0.89 1.07 2f27B1 ASN 312 H -0.21 0.61 0.21 -0.55 8.53 8.60 2f27B1 ASN 312 HA -0.64 0.39 0.84 -0.75 4.76 4.60 2f27B1 ASN 312 HB2 -2.75 0.04 -0.21 -0.04 2.88 -0.08 2f27B1 ASN 312 HB3 -0.94 -0.13 0.12 -0.04 2.79 1.80 2f27B1 ASN 312 HD21 -0.88 0.30 -0.46 -0.04 7.03 5.95 2f27B1 ASN 312 HD22 -2.94 -0.00 -0.29 -0.04 7.74 4.47 2f27B1 PRO 313 HA -2.24 0.09 0.63 -0.51 4.44 2.41 2f27B1 PRO 313 HB2 -1.19 0.04 0.09 -0.04 2.28 1.18 2f27B1 PRO 313 HB3 -1.80 -0.01 0.04 -0.04 2.02 0.22 2f27B1 PRO 313 HG2 -0.51 0.03 -0.04 -0.04 2.03 1.47 2f27B1 PRO 313 HG3 -0.52 0.03 0.01 -0.04 2.03 1.52 2f27B1 PRO 313 HD2 -0.48 0.40 0.19 -0.04 3.68 3.76 2f27B1 PRO 313 HD3 -0.54 0.11 -0.16 -0.04 3.65 3.02 2f27B1 ARG 314 H -0.52 0.06 -0.40 -0.55 8.46 7.06 2f27B1 ARG 314 HA -0.20 0.24 0.75 -0.75 4.34 4.37 2f27B1 ARG 314 HB2 -0.26 -0.04 0.08 -0.04 1.90 1.63 2f27B1 ARG 314 HB3 -0.17 -0.04 0.14 -0.04 1.80 1.69 2f27B1 ARG 314 HG2 -0.14 0.04 -0.01 -0.04 1.67 1.51 2f27B1 ARG 314 HG3 -0.27 0.02 -0.40 -0.04 1.67 0.97 2f27B1 ARG 314 HD2 -0.13 0.01 -0.04 -0.04 3.22 3.01 2f27B1 ARG 314 HD3 -0.19 0.03 -0.05 -0.04 3.22 2.96 2f27B1 PRO 315 HA -0.28 -0.02 0.36 -0.51 4.44 4.00 2f27B1 PRO 315 HB2 -0.09 -0.01 -0.14 -0.04 2.28 2.00 2f27B1 PRO 315 HB3 -0.24 0.01 -0.02 -0.04 2.02 1.74 2f27B1 PRO 315 HG2 -0.04 -0.04 0.02 -0.04 2.03 1.93 2f27B1 PRO 315 HG3 -0.04 0.13 0.00 -0.04 2.03 2.09 2f27B1 PRO 315 HD2 -0.12 0.23 -0.17 -0.04 3.68 3.58 2f27B1 PRO 315 HD3 -0.33 0.23 -0.12 -0.04 3.65 3.39 2f27B1 PRO 316 HA -0.18 0.05 0.20 -0.51 4.44 4.01 2f27B1 PRO 316 HB2 0.01 0.06 0.02 -0.04 2.28 2.33 2f27B1 PRO 316 HB3 -0.00 -0.00 -0.05 -0.04 2.02 1.92 2f27B1 PRO 316 HG2 -0.01 0.04 -0.12 -0.04 2.03 1.89 2f27B1 PRO 316 HG3 0.01 -0.03 -0.09 -0.04 2.03 1.88 2f27B1 PRO 316 HD2 -0.04 0.09 0.32 -0.04 3.68 4.01 2f27B1 PRO 316 HD3 -0.03 0.06 -0.27 -0.04 3.65 3.37 2f27B1 ALA 317 H -0.15 0.40 0.00 -0.55 8.40 8.11 2f27B1 ALA 317 HA -0.07 0.05 0.35 -0.75 4.34 3.91 2f27B1 ALA 317 HB3 -0.12 0.01 0.08 -0.04 1.41 1.33 2f27B1 PRO 318 HA 0.25 0.11 0.38 -0.51 4.44 4.67 2f27B1 PRO 318 HB2 0.04 -0.04 0.05 -0.04 2.28 2.29 2f27B1 PRO 318 HB3 0.09 0.05 0.06 -0.04 2.02 2.17 2f27B1 PRO 318 HG2 0.02 0.05 0.04 -0.04 2.03 2.10 2f27B1 PRO 318 HG3 0.07 0.12 0.05 -0.04 2.03 2.22 2f27B1 PRO 318 HD2 -0.01 0.01 0.18 -0.04 3.68 3.82 2f27B1 PRO 318 HD3 -0.01 0.18 0.14 -0.04 3.65 3.92 2f27B1 GLU 319 H -0.02 0.09 -0.22 -0.55 8.60 7.91 2f27B1 GLU 319 HA 0.04 0.12 0.48 -0.75 4.29 4.17 2f27B1 GLU 319 HB2 -0.02 0.04 0.06 -0.04 2.09 2.13 2f27B1 GLU 319 HB3 -0.00 -0.02 0.06 -0.04 1.99 1.98 2f27B1 GLU 319 HG2 -0.06 0.05 -0.15 -0.04 2.34 2.14 2f27B1 GLU 319 HG3 -0.03 0.00 -0.04 -0.04 2.34 2.23 2f27B1 ALA 320 H -0.15 0.40 -0.57 -0.55 8.40 7.53 2f27B1 ALA 320 HA -0.14 0.12 0.53 -0.75 4.34 4.10 2f27B1 ALA 320 HB3 -0.31 0.00 -0.01 -0.04 1.41 1.05 2f27B1 TRP 321 H 0.06 0.24 -0.40 -0.55 7.97 7.32 2f27B1 TRP 321 HA -0.06 0.05 0.43 -0.75 4.62 4.28 2f27B1 TRP 321 HB2 -0.06 0.02 0.06 -0.04 3.23 3.20 2f27B1 TRP 321 HB3 0.00 0.09 -0.13 -0.04 3.23 3.15 2f27B1 TRP 321 HD1 -0.13 0.18 0.10 -0.04 7.22 7.33 2f27B1 TRP 321 HE1 -0.16 -0.02 -0.15 -0.04 10.20 9.83 2f27B1 TRP 321 HE3 0.06 0.05 -0.42 -0.04 7.59 7.23 2f27B1 TRP 321 HZ2 -0.13 -0.03 -0.20 -0.04 7.44 7.04 2f27B1 TRP 321 HZ3 0.13 0.12 -0.51 -0.04 7.13 6.83 2f27B1 TRP 321 HH2 0.03 -0.03 -0.35 -0.04 7.19 6.81 2f27B1 SER 322 H 0.20 0.52 0.34 -0.55 8.46 8.97 2f27B1 SER 322 HA 0.08 0.04 0.43 -0.75 4.49 4.29 2f27B1 SER 322 HB2 0.10 -0.09 0.22 -0.04 3.95 4.14 2f27B1 SER 322 HB3 -0.08 0.07 0.23 -0.04 3.93 4.11 2f27B1 GLU 323 H 0.12 0.03 0.19 -0.55 8.60 8.39 2f27B1 GLU 323 HA 0.10 0.15 0.59 -0.75 4.29 4.37 2f27B1 GLU 323 HB2 0.06 -0.08 0.15 -0.04 2.09 2.18 2f27B1 GLU 323 HB3 0.04 0.02 0.03 -0.04 1.99 2.05 2f27B1 GLU 323 HG2 0.01 -0.08 0.06 -0.04 2.34 2.29 2f27B1 GLU 323 HG3 -0.01 0.10 0.12 -0.04 2.34 2.52 2f27B1 PRO 324 HA -0.32 0.30 0.66 -0.51 4.44 4.58 2f27B1 PRO 324 HB2 -0.52 -0.04 -0.07 -0.04 2.28 1.60 2f27B1 PRO 324 HB3 -2.03 0.05 -0.07 -0.04 2.02 -0.07 2f27B1 PRO 324 HG2 -0.18 -0.05 0.02 -0.04 2.03 1.77 2f27B1 PRO 324 HG3 -0.19 0.07 0.05 -0.04 2.03 1.92 2f27B1 PRO 324 HD2 -0.05 0.01 0.23 -0.04 3.68 3.83 2f27B1 PRO 324 HD3 -0.03 0.24 0.19 -0.04 3.65 4.01 2f27B1 VAL 325 H -0.21 0.49 0.38 -0.55 8.24 8.35 2f27B1 VAL 325 HA -0.19 0.14 0.85 -0.75 4.13 4.17 2f27B1 VAL 325 HB -0.54 0.10 0.08 -0.04 2.12 1.72 2f27B1 VAL 325 HG13 -0.37 0.02 0.04 -0.04 0.97 0.62 2f27B1 VAL 325 HG23 -0.29 0.02 -0.00 -0.04 0.95 0.64 2f27B1 LEU 326 H -0.15 0.18 0.08 -0.55 8.37 7.94 2f27B1 LEU 326 HA -0.15 0.15 0.56 -0.75 4.35 4.15 2f27B1 LEU 326 HB2 -0.10 0.03 0.02 -0.04 1.64 1.56 2f27B1 LEU 326 HB3 -0.11 0.05 0.10 -0.04 1.64 1.64 2f27B1 LEU 326 HG -0.09 -0.12 -0.42 -0.04 1.64 0.96 2f27B1 LEU 326 HD13 -0.08 0.04 -0.15 -0.04 0.93 0.70 2f27B1 LEU 326 HD23 -0.05 0.01 -0.19 -0.04 0.89 0.62 2f27B1 LEU 327 H -0.20 0.69 0.40 -0.55 8.37 8.71 2f27B1 LEU 327 HA -0.26 0.10 0.68 -0.75 4.35 4.12 2f27B1 LEU 327 HB2 -0.28 0.06 -0.13 -0.04 1.64 1.26 2f27B1 LEU 327 HB3 -0.30 -0.05 -0.14 -0.04 1.64 1.11 2f27B1 LEU 327 HG -0.28 0.05 -0.16 -0.04 1.64 1.21 2f27B1 LEU 327 HD13 -0.19 -0.01 -0.26 -0.04 0.93 0.42 2f27B1 LEU 327 HD23 -0.69 -0.00 -0.18 -0.04 0.89 -0.03 2f27B1 ALA 328 H -0.18 0.42 0.12 -0.55 8.40 8.21 2f27B1 ALA 328 HA -0.07 0.11 0.66 -0.75 4.34 4.29 2f27B1 ALA 328 HB3 -0.18 0.02 -0.11 -0.04 1.41 1.09 2f27B1 LYS 329 H -0.02 0.15 0.12 -0.55 8.42 8.11 2f27B1 LYS 329 HA -0.02 0.12 0.76 -0.75 4.32 4.42 2f27B1 LYS 329 HB2 -0.00 -0.01 0.07 -0.04 1.87 1.89 2f27B1 LYS 329 HB3 -0.00 -0.02 0.09 -0.04 1.79 1.82 2f27B1 LYS 329 HG2 -0.03 0.02 -0.15 -0.04 1.46 1.26 2f27B1 LYS 329 HG3 -0.03 -0.06 -0.01 -0.04 1.46 1.32 2f27B1 LYS 329 HD2 -0.01 -0.07 0.01 -0.04 1.69 1.58 2f27B1 LYS 329 HD3 -0.02 0.37 -0.00 -0.04 1.68 1.98 2f27B1 LYS 329 HE2 -0.01 -0.12 0.03 -0.04 2.99 2.85 2f27B1 LYS 329 HE3 -0.00 -0.08 -0.01 -0.04 2.99 2.85 2f27B1 GLY 330 H 0.01 0.12 0.18 -0.55 8.43 8.20 2f27B1 GLY 330 HA2 0.01 0.04 0.36 -0.51 4.01 3.90 2f27B1 GLY 330 HA3 0.00 0.13 0.55 -0.51 4.01 4.18 2f27B1 SER 331 H -0.02 0.09 0.21 -0.55 8.46 8.19 2f27B1 SER 331 HA -0.06 0.29 0.59 -0.75 4.49 4.55 2f27B1 SER 331 HB2 -0.06 0.09 0.22 -0.04 3.95 4.16 2f27B1 SER 331 HB3 -0.06 -0.16 0.31 -0.04 3.93 3.99 2f27B1 CYS 332 H -0.05 0.63 0.21 -0.55 8.50 8.73 2f27B1 CYS 332 HA 0.08 0.29 0.77 -0.75 4.58 4.97 2f27B1 CYS 332 HB2 -0.05 -0.11 -0.18 -0.04 2.97 2.59 2f27B1 CYS 332 HB3 -0.04 0.09 -0.09 -0.04 2.97 2.88 2f27B1 ALA 333 H 0.10 0.43 0.09 -0.55 8.40 8.47 2f27B1 ALA 333 HA 0.06 0.23 0.93 -0.75 4.34 4.80 2f27B1 ALA 333 HB3 0.19 -0.02 0.10 -0.04 1.41 1.63 2f27B1 TYR 334 H 0.45 -0.01 0.21 -0.55 8.29 8.39 2f27B1 TYR 334 HA 0.05 0.27 0.45 -0.75 4.56 4.57 2f27B1 TYR 334 HB2 0.12 -0.17 0.21 -0.04 3.06 3.18 2f27B1 TYR 334 HB3 0.10 0.15 0.05 -0.04 2.98 3.24 2f27B1 TYR 334 HD2 0.08 -0.01 0.09 -0.04 7.15 7.27 2f27B1 TYR 334 HE2 0.05 0.06 0.10 -0.04 6.85 7.02 2f27B1 SER 335 H 0.10 0.32 0.15 -0.55 8.46 8.48 2f27B1 SER 335 HA 0.23 0.23 0.79 -0.75 4.49 4.99 2f27B1 SER 335 HB2 0.16 -0.00 0.04 -0.04 3.95 4.11 2f27B1 SER 335 HB3 0.13 0.03 -0.24 -0.04 3.93 3.81 2f27B1 ASP 336 H 0.22 0.51 0.31 -0.55 8.40 8.89 2f27B1 ASP 336 HA 0.22 0.15 0.74 -0.75 4.63 4.99 2f27B1 ASP 336 HB2 0.24 0.20 -0.28 -0.04 2.71 2.83 2f27B1 ASP 336 HB3 0.26 -0.14 -0.03 -0.04 2.70 2.75 2f27B1 LEU 337 H 0.23 0.20 0.18 -0.55 8.37 8.43 2f27B1 LEU 337 HA 0.16 0.34 1.10 -0.75 4.35 5.19 2f27B1 LEU 337 HB2 0.16 -0.01 -0.11 -0.04 1.64 1.64 2f27B1 LEU 337 HB3 0.10 0.01 -0.13 -0.04 1.64 1.57 2f27B1 LEU 337 HG 0.13 -0.07 -0.26 -0.04 1.64 1.40 2f27B1 LEU 337 HD13 0.11 0.02 -0.36 -0.04 0.93 0.66 2f27B1 LEU 337 HD23 0.11 0.03 -0.15 -0.04 0.89 0.84 2f27B1 GLN 338 H 0.11 0.53 0.30 -0.55 8.47 8.87 2f27B1 GLN 338 HA -0.02 0.14 0.73 -0.75 4.36 4.45 2f27B1 GLN 338 HB2 0.15 -0.05 -0.10 -0.04 2.15 2.10 2f27B1 GLN 338 HB3 0.11 0.05 -0.09 -0.04 2.02 2.05 2f27B1 GLN 338 HG2 0.07 0.11 -0.49 -0.04 2.40 2.05 2f27B1 GLN 338 HG3 0.20 -0.20 -0.53 -0.04 2.39 1.82 2f27B1 GLN 338 HE21 -0.36 -0.02 0.27 -0.04 6.97 6.81 2f27B1 GLN 338 HE22 -0.69 0.53 0.46 -0.04 7.69 7.94 2f27B1 SER 339 H 0.08 0.19 0.21 -0.55 8.46 8.39 2f27B1 SER 339 HA 0.07 0.17 0.76 -0.75 4.49 4.74 2f27B1 SER 339 HB2 0.24 0.11 0.18 -0.04 3.95 4.44 2f27B1 SER 339 HB3 0.11 -0.01 0.29 -0.04 3.93 4.28 2f27B1 MET 340 H -0.37 0.85 0.29 -0.55 8.47 8.69 2f27B1 MET 340 HA -1.36 0.16 0.80 -0.75 4.52 3.37 2f27B1 MET 340 HB2 -0.46 0.00 -0.28 -0.04 2.15 1.38 2f27B1 MET 340 HB3 -0.71 -0.01 -0.03 -0.04 2.03 1.25 2f27B1 MET 340 HG2 -0.67 -0.02 -0.27 -0.04 2.63 1.63 2f27B1 MET 340 HG3 -0.28 0.03 -0.42 -0.04 2.56 1.85 2f27B1 MET 340 HE3 -0.07 -0.00 -0.23 -0.04 2.10 1.76 2f27B1 GLY 341 H -0.24 0.06 -0.10 -0.55 8.43 7.61 2f27B1 GLY 341 HA2 -0.09 0.03 0.31 -0.51 4.01 3.74 2f27B1 GLY 341 HA3 -0.12 0.15 0.63 -0.51 4.01 4.15 2f27B1 THR 342 H -0.10 0.15 0.15 -0.55 8.28 7.93 2f27B1 THR 342 HA -0.15 0.07 0.53 -0.75 4.39 4.08 2f27B1 THR 342 HB -0.06 -0.02 0.11 -0.04 4.32 4.30 2f27B1 THR 342 HG23 -0.06 0.06 -0.20 -0.04 1.22 0.98 2f27B1 GLY 343 H -0.16 0.63 0.10 -0.55 8.43 8.46 2f27B1 GLY 343 HA2 -0.14 0.17 0.48 -0.51 4.01 4.01 2f27B1 GLY 343 HA3 -0.14 -0.02 0.26 -0.51 4.01 3.60 2f27B1 PRO 344 HA -0.03 0.13 0.42 -0.51 4.44 4.45 2f27B1 PRO 344 HB2 -0.24 0.01 -0.01 -0.04 2.28 2.00 2f27B1 PRO 344 HB3 -0.15 0.09 0.09 -0.04 2.02 2.01 2f27B1 PRO 344 HG2 -0.05 0.11 0.07 -0.04 2.03 2.12 2f27B1 PRO 344 HG3 0.16 0.07 0.07 -0.04 2.03 2.29 2f27B1 PRO 344 HD2 -0.06 0.04 0.14 -0.04 3.68 3.75 2f27B1 PRO 344 HD3 0.00 0.14 0.17 -0.04 3.65 3.92 2f27B1 ASP 345 H -0.10 0.02 -0.34 -0.55 8.40 7.45 2f27B1 ASP 345 HA -0.08 0.28 0.81 -0.75 4.63 4.88 2f27B1 ASP 345 HB2 -0.12 0.06 0.13 -0.04 2.71 2.75 2f27B1 ASP 345 HB3 -0.10 0.05 -0.01 -0.04 2.70 2.60 2f27B1 GLY 346 H -0.07 0.46 -0.42 -0.55 8.43 7.85 2f27B1 GLY 346 HA2 -0.05 0.06 0.26 -0.51 4.01 3.77 2f27B1 GLY 346 HA3 -0.06 0.14 0.51 -0.51 4.01 4.09 2f27B1 SER 347 H -0.11 -0.08 -0.48 -0.55 8.46 7.24 2f27B1 SER 347 HA 0.00 0.34 0.81 -0.75 4.49 4.89 2f27B1 SER 347 HB2 0.10 0.07 0.11 -0.04 3.95 4.18 2f27B1 SER 347 HB3 -0.26 0.13 -0.04 -0.04 3.93 3.71 2f27B1 PRO 348 HA -0.30 0.22 0.53 -0.51 4.44 4.38 2f27B1 PRO 348 HB2 -0.54 -0.10 0.06 -0.04 2.28 1.66 2f27B1 PRO 348 HB3 -0.46 0.07 0.07 -0.04 2.02 1.65 2f27B1 PRO 348 HG2 0.20 0.15 0.06 -0.04 2.03 2.40 2f27B1 PRO 348 HG3 0.02 0.12 0.06 -0.04 2.03 2.19 2f27B1 PRO 348 HD2 0.13 -0.00 0.20 -0.04 3.68 3.97 2f27B1 PRO 348 HD3 0.06 0.25 0.21 -0.04 3.65 4.13 2f27B1 LEU 349 H -0.50 0.86 0.33 -0.55 8.37 8.52 2f27B1 LEU 349 HA -0.49 0.13 0.87 -0.75 4.35 4.10 2f27B1 LEU 349 HB2 -0.30 -0.06 -0.23 -0.04 1.64 1.01 2f27B1 LEU 349 HB3 -0.40 0.03 -0.36 -0.04 1.64 0.86 2f27B1 LEU 349 HG -0.30 -0.02 -0.32 -0.04 1.64 0.96 2f27B1 LEU 349 HD13 -0.12 0.01 -0.10 -0.04 0.93 0.68 2f27B1 LEU 349 HD23 -0.43 0.02 -0.21 -0.04 0.89 0.24 2f27B1 PHE 350 H -0.45 0.71 0.38 -0.55 8.34 8.42 2f27B1 PHE 350 HA -0.28 0.22 1.17 -0.75 4.62 4.98 2f27B1 PHE 350 HB2 -1.29 -0.04 -0.06 -0.04 3.15 1.71 2f27B1 PHE 350 HB3 -0.40 0.04 -0.06 -0.04 3.06 2.60 2f27B1 PHE 350 HD2 -0.33 0.02 -0.24 -0.04 7.28 6.69 2f27B1 PHE 350 HE2 -0.33 -0.03 -0.23 -0.04 7.38 6.75 2f27B1 PHE 350 HZ -1.87 0.03 -0.18 -0.04 7.32 5.26 2f27B1 GLY 351 H 0.05 0.66 0.35 -0.55 8.43 8.95 2f27B1 GLY 351 HA2 0.06 0.27 1.04 -0.51 4.01 4.87 2f27B1 GLY 351 HA3 0.29 -0.05 0.27 -0.51 4.01 4.01 2f27B1 CYS 352 H 0.02 0.57 0.33 -0.55 8.50 8.87 2f27B1 CYS 352 HA 0.24 0.33 0.99 -0.75 4.58 5.38 2f27B1 CYS 352 HB2 0.27 -0.01 -0.28 -0.04 2.97 2.91 2f27B1 CYS 352 HB3 0.27 -0.05 -0.04 -0.04 2.97 3.12 2f27B1 LEU 353 H 0.27 0.59 0.32 -0.55 8.37 9.00 2f27B1 LEU 353 HA 0.24 0.34 0.97 -0.75 4.35 5.15 2f27B1 LEU 353 HB2 0.28 -0.01 -0.04 -0.04 1.64 1.83 2f27B1 LEU 353 HB3 0.23 -0.05 -0.10 -0.04 1.64 1.67 2f27B1 LEU 353 HG 0.15 -0.01 -0.16 -0.04 1.64 1.58 2f27B1 LEU 353 HD13 0.15 0.02 -0.17 -0.04 0.93 0.89 2f27B1 LEU 353 HD23 0.22 -0.05 -0.17 -0.04 0.89 0.85 2f27B1 TYR 354 H -0.03 0.54 0.27 -0.55 8.29 8.52 2f27B1 TYR 354 HA 0.12 0.24 0.73 -0.75 4.56 4.89 2f27B1 TYR 354 HB2 0.05 0.12 0.03 -0.04 3.06 3.22 2f27B1 TYR 354 HB3 0.07 -0.01 -0.29 -0.04 2.98 2.72 2f27B1 TYR 354 HD2 0.03 0.13 -0.33 -0.04 7.15 6.95 2f27B1 TYR 354 HE2 -0.00 0.02 -0.21 -0.04 6.85 6.62 2f27B1 GLU 355 H 0.23 0.64 0.23 -0.55 8.60 9.15 2f27B1 GLU 355 HA 0.03 0.21 0.75 -0.75 4.29 4.53 2f27B1 GLU 355 HB2 0.16 -0.17 0.23 -0.04 2.09 2.27 2f27B1 GLU 355 HB3 0.11 -0.01 0.10 -0.04 1.99 2.16 2f27B1 GLU 355 HG2 0.13 0.10 0.07 -0.04 2.34 2.59 2f27B1 GLU 355 HG3 0.18 0.11 0.09 -0.04 2.34 2.69 2f27B1 ALA 356 H -0.04 0.68 0.39 -0.55 8.40 8.89 2f27B1 ALA 356 HA 0.01 0.22 0.72 -0.75 4.34 4.54 2f27B1 ALA 356 HB3 0.04 0.02 -0.08 -0.04 1.41 1.34 2f27B1 ASN 357 H -0.02 0.45 0.18 -0.55 8.53 8.59 2f27B1 ASN 357 HA -0.04 0.01 0.40 -0.75 4.76 4.38 2f27B1 ASN 357 HB2 -0.01 0.07 -0.12 -0.04 2.88 2.78 2f27B1 ASN 357 HB3 -0.01 0.04 0.16 -0.04 2.79 2.94 2f27B1 ASN 357 HD21 0.01 0.07 0.04 -0.04 7.03 7.11 2f27B1 ASN 357 HD22 -0.01 -0.07 0.15 -0.04 7.74 7.77 2f27B1 ASP 358 H -0.18 0.06 -0.06 -0.55 8.40 7.69 2f27B1 ASP 358 HA -0.29 0.02 0.27 -0.75 4.63 3.87 2f27B1 ASP 358 HB2 -0.03 -0.06 -0.08 -0.04 2.71 2.50 2f27B1 ASP 358 HB3 0.00 0.19 0.06 -0.04 2.70 2.92 2f27B1 TYR 359 H -0.41 0.00 -0.39 -0.55 8.29 6.94 2f27B1 TYR 359 HA 0.01 -0.01 0.28 -0.75 4.56 4.09 2f27B1 TYR 359 HB2 -0.01 0.18 0.00 -0.04 3.06 3.19 2f27B1 TYR 359 HB3 -0.02 0.02 0.15 -0.04 2.98 3.08 2f27B1 TYR 359 HD2 -0.03 0.06 -0.14 -0.04 7.15 7.00 2f27B1 TYR 359 HE2 -0.03 -0.02 -0.01 -0.04 6.85 6.75 2f27B1 GLU 360 H 0.02 0.38 -0.24 -0.55 8.60 8.21 2f27B1 GLU 360 HA 0.09 0.11 0.89 -0.75 4.29 4.62 2f27B1 GLU 360 HB2 0.02 0.03 0.12 -0.04 2.09 2.23 2f27B1 GLU 360 HB3 0.04 -0.09 0.20 -0.04 1.99 2.10 2f27B1 GLU 360 HG2 0.06 -0.03 -0.08 -0.04 2.34 2.25 2f27B1 GLU 360 HG3 0.04 0.32 0.00 -0.04 2.34 2.66 2f27B1 GLU 361 H 0.04 0.27 0.05 -0.55 8.60 8.41 2f27B1 GLU 361 HA 0.06 0.14 0.42 -0.75 4.29 4.16 2f27B1 GLU 361 HB2 -0.03 0.09 0.17 -0.04 2.09 2.28 2f27B1 GLU 361 HB3 0.01 0.10 -0.05 -0.04 1.99 2.00 2f27B1 GLU 361 HG2 -0.02 -0.02 -0.22 -0.04 2.34 2.04 2f27B1 GLU 361 HG3 -0.07 -0.06 -0.31 -0.04 2.34 1.86 2f27B1 ILE 362 H 0.03 0.56 0.22 -0.55 8.25 8.51 2f27B1 ILE 362 HA -0.06 0.26 0.87 -0.75 4.18 4.49 2f27B1 ILE 362 HB 0.26 -0.07 -0.00 -0.04 1.89 2.04 2f27B1 ILE 362 HG12 0.08 -0.02 -0.21 -0.04 1.49 1.30 2f27B1 ILE 362 HG13 0.10 0.02 -0.50 -0.04 1.21 0.79 2f27B1 ILE 362 HG23 0.11 0.00 -0.28 -0.04 0.93 0.71 2f27B1 ILE 362 HD13 -0.00 -0.02 -0.43 -0.04 0.88 0.38 2f27B1 VAL 363 H -0.46 0.76 0.28 -0.55 8.24 8.27 2f27B1 VAL 363 HA -0.16 0.11 1.04 -0.75 4.13 4.36 2f27B1 VAL 363 HB -1.31 0.02 -0.01 -0.04 2.12 0.78 2f27B1 VAL 363 HG13 -0.02 0.01 -0.28 -0.04 0.97 0.64 2f27B1 VAL 363 HG23 -0.22 -0.02 -0.19 -0.04 0.95 0.49 2f27B1 PHE 364 H 0.06 0.86 0.43 -0.55 8.34 9.13 2f27B1 PHE 364 HA 0.07 0.31 1.06 -0.75 4.62 5.31 2f27B1 PHE 364 HB2 -0.20 -0.04 -0.02 -0.04 3.15 2.85 2f27B1 PHE 364 HB3 0.01 -0.01 0.12 -0.04 3.06 3.14 2f27B1 PHE 364 HD2 0.34 -0.00 -0.17 -0.04 7.28 7.41 2f27B1 PHE 364 HE2 0.28 -0.07 -0.15 -0.04 7.38 7.39 2f27B1 PHE 364 HZ 0.20 -0.01 -0.17 -0.04 7.32 7.29 2f27B1 LEU 365 H -0.27 0.73 0.38 -0.55 8.37 8.66 2f27B1 LEU 365 HA -0.14 0.34 1.02 -0.75 4.35 4.81 2f27B1 LEU 365 HB2 0.20 -0.00 -0.08 -0.04 1.64 1.72 2f27B1 LEU 365 HB3 0.22 -0.05 -0.11 -0.04 1.64 1.66 2f27B1 LEU 365 HG 0.06 0.03 -0.02 -0.04 1.64 1.68 2f27B1 LEU 365 HD13 0.16 0.02 -0.03 -0.04 0.93 1.03 2f27B1 LEU 365 HD23 -0.01 0.02 -0.18 -0.04 0.89 0.68 2f27B1 MET 366 H -0.06 0.58 0.31 -0.55 8.47 8.76 2f27B1 MET 366 HA -0.14 0.42 1.05 -0.75 4.52 5.09 2f27B1 MET 366 HB2 -0.08 -0.04 -0.12 -0.04 2.15 1.87 2f27B1 MET 366 HB3 0.08 -0.06 0.07 -0.04 2.03 2.07 2f27B1 MET 366 HG2 0.08 -0.06 -0.18 -0.04 2.63 2.43 2f27B1 MET 366 HG3 -0.00 0.21 0.03 -0.04 2.56 2.76 2f27B1 MET 366 HE3 0.32 -0.02 -0.28 -0.04 2.10 2.08 2f27B1 PHE 367 H -0.37 0.57 0.32 -0.55 8.34 8.30 2f27B1 PHE 367 HA 0.03 0.01 0.72 -0.75 4.62 4.62 2f27B1 PHE 367 HB2 0.04 0.02 0.11 -0.04 3.15 3.28 2f27B1 PHE 367 HB3 0.01 0.06 -0.13 -0.04 3.06 2.97 2f27B1 PHE 367 HD2 0.08 0.02 -0.39 -0.04 7.28 6.95 2f27B1 PHE 367 HE2 0.01 0.01 -0.27 -0.04 7.38 7.08 2f27B1 PHE 367 HZ -0.04 0.00 -0.24 -0.04 7.32 7.00 2f27B1 THR 368 H 0.21 0.14 0.20 -0.55 8.28 8.28 2f27B1 THR 368 HA -0.16 0.43 1.14 -0.75 4.39 5.05 2f27B1 THR 368 HB -0.07 0.04 0.00 -0.04 4.32 4.24 2f27B1 THR 368 HG23 -0.07 -0.01 -0.09 -0.04 1.22 1.01 2f27B1 LEU 369 H 0.02 0.52 0.13 -0.55 8.37 8.49 2f27B1 LEU 369 HA 0.53 0.09 0.35 -0.75 4.35 4.56 2f27B1 LEU 369 HB2 0.24 0.06 0.08 -0.04 1.64 1.98 2f27B1 LEU 369 HB3 0.30 -0.04 0.09 -0.04 1.64 1.94 2f27B1 LEU 369 HG 0.58 0.04 -0.20 -0.04 1.64 2.01 2f27B1 LEU 369 HD13 0.56 -0.01 -0.03 -0.04 0.93 1.40 2f27B1 LEU 369 HD23 0.47 0.02 -0.02 -0.04 0.89 1.32 2f27B1 LYS 370 H 0.08 0.03 -0.19 -0.55 8.42 7.78 2f27B1 LYS 370 HA 0.20 0.15 0.22 -0.75 4.32 4.14 2f27B1 LYS 370 HB2 -0.42 0.00 0.01 -0.04 1.87 1.43 2f27B1 LYS 370 HB3 -0.11 -0.06 -0.05 -0.04 1.79 1.53 2f27B1 LYS 370 HG2 -0.09 0.03 -0.12 -0.04 1.46 1.24 2f27B1 LYS 370 HG3 -0.30 0.02 0.02 -0.04 1.46 1.15 2f27B1 LYS 370 HD2 -0.47 0.05 -0.02 -0.04 1.69 1.21 2f27B1 LYS 370 HD3 -0.18 -0.03 -0.03 -0.04 1.68 1.40 2f27B1 LYS 370 HE2 -0.08 -0.01 -0.02 -0.04 2.99 2.84 2f27B1 LYS 370 HE3 -0.14 -0.01 0.00 -0.04 2.99 2.80 2f27B1 GLN 371 H 0.10 -0.06 -0.42 -0.55 8.47 7.55 2f27B1 GLN 371 HA 0.03 0.11 0.44 -0.75 4.36 4.18 2f27B1 GLN 371 HB2 0.17 -0.07 0.16 -0.04 2.15 2.37 2f27B1 GLN 371 HB3 0.05 0.21 0.02 -0.04 2.02 2.26 2f27B1 GLN 371 HG2 0.03 0.10 0.01 -0.04 2.40 2.49 2f27B1 GLN 371 HG3 0.04 -0.14 0.01 -0.04 2.39 2.25 2f27B1 GLN 371 HE21 0.07 -0.03 -0.27 -0.04 6.97 6.69 2f27B1 GLN 371 HE22 0.03 0.05 -0.11 -0.04 7.69 7.62 2f27B1 ALA 372 H 0.21 0.37 -0.12 -0.55 8.40 8.31 2f27B1 ALA 372 HA -0.22 0.10 0.45 -0.75 4.34 3.92 2f27B1 ALA 372 HB3 0.01 -0.03 -0.04 -0.04 1.41 1.31 2f27B1 PHE 373 H 0.30 0.71 -0.14 -0.55 8.34 8.67 2f27B1 PHE 373 HA 0.11 0.18 0.84 -0.75 4.62 5.00 2f27B1 PHE 373 HB2 0.25 0.02 0.12 -0.04 3.15 3.49 2f27B1 PHE 373 HB3 0.15 -0.09 0.10 -0.04 3.06 3.18 2f27B1 PHE 373 HD2 0.14 -0.04 -0.08 -0.04 7.28 7.26 2f27B1 PHE 373 HE2 0.09 0.06 -0.14 -0.04 7.38 7.34 2f27B1 PHE 373 HZ 0.07 0.12 -0.26 -0.04 7.32 7.22 2f27B1 PRO 374 HA 0.32 0.03 0.48 -0.51 4.44 4.76 2f27B1 PRO 374 HB2 0.10 -0.06 0.01 -0.04 2.28 2.29 2f27B1 PRO 374 HB3 0.09 0.21 0.14 -0.04 2.02 2.41 2f27B1 PRO 374 HG2 0.07 -0.07 0.03 -0.04 2.03 2.01 2f27B1 PRO 374 HG3 0.03 0.07 0.03 -0.04 2.03 2.12 2f27B1 PRO 374 HD2 0.01 0.17 -0.08 -0.04 3.68 3.74 2f27B1 PRO 374 HD3 0.04 0.36 -0.39 -0.04 3.65 3.62 2f27B1 ALA 375 H 0.17 0.17 -0.30 -0.55 8.40 7.88 2f27B1 ALA 375 HA 0.11 0.06 0.35 -0.75 4.34 4.10 2f27B1 ALA 375 HB3 0.10 0.01 0.03 -0.04 1.41 1.52 2f27B1 GLU 376 H 0.21 0.39 -0.50 -0.55 8.60 8.16 2f27B1 GLU 376 HA 0.04 0.07 0.45 -0.75 4.29 4.10 2f27B1 GLU 376 HB2 0.02 0.11 -0.01 -0.04 2.09 2.17 2f27B1 GLU 376 HB3 0.02 -0.04 0.06 -0.04 1.99 1.99 2f27B1 GLU 376 HG2 0.21 -0.02 -0.00 -0.04 2.34 2.49 2f27B1 GLU 376 HG3 0.30 -0.04 -0.00 -0.04 2.34 2.56 2f27B1 TYR 377 H 0.22 0.51 -0.46 -0.55 8.29 8.02 2f27B1 TYR 377 HA 0.08 0.20 0.70 -0.75 4.56 4.78 2f27B1 TYR 377 HB2 0.08 0.11 0.09 -0.04 3.06 3.29 2f27B1 TYR 377 HB3 0.06 -0.04 0.05 -0.04 2.98 3.00 2f27B1 TYR 377 HD2 0.09 0.05 -0.06 -0.04 7.15 7.19 2f27B1 TYR 377 HE2 0.10 -0.00 -0.22 -0.04 6.85 6.69