============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. PHE 9 1.000 -27.460 96.650 -7.418 -99.200 -91.000 HIS 14 0.900 -22.153 82.925 -7.042 -99.200 -91.000 TYR 16 0.840 -26.633 92.330 -10.538 -99.200 -91.000 TYR 23 0.840 -28.105 111.667 1.959 -99.200 -91.000 PHE 33 1.000 -23.033 104.812 -8.708 -99.200 -91.000 TYR 47 0.840 -35.336 109.261 4.860 -99.200 -91.000 HIS 52 0.900 -40.135 105.268 9.173 -99.200 -91.000 TRP 56 1.040 -33.264 100.940 -2.484 -99.200 -91.000 TRP6 56 1.020 -31.302 102.186 -2.919 -99.200 -91.000 HIS 70 0.900 -10.130 99.095 -22.422 -99.200 -91.000 TYR 79 0.840 -23.251 116.798 -3.179 -99.200 -91.000 PHE 87 1.000 -15.978 115.162 -9.988 -99.200 -91.000 PHE 89 1.000 -12.999 110.288 -9.328 -99.200 -91.000 PHE 90 1.000 -15.310 104.127 -15.619 -99.200 -91.000 HIS 120 0.900 -29.770 116.989 -8.713 -99.200 -91.000 TRP 124 1.040 -24.283 108.848 -14.849 -99.200 -91.000 TRP6 124 1.020 -23.152 109.437 -12.857 -99.200 -91.000 TYR 139 0.840 -0.367 102.774 -17.021 -99.200 -91.000 TRP 142 1.040 2.323 101.555 -9.885 -99.200 -91.000 TRP6 142 1.020 0.572 103.142 -9.819 -99.200 -91.000 PHE 145 1.000 -4.395 102.084 -12.160 -99.200 -91.000 HIS 151 0.900 -17.411 106.400 1.321 -99.200 -91.000 TYR 167 0.840 -6.227 97.793 -4.672 -99.200 -91.000 TYR 169 0.840 -2.407 93.855 -6.836 -99.200 -91.000 HIS 173 0.900 11.003 92.296 -4.794 -99.200 -91.000 PHE 183 1.000 -2.135 105.162 -5.281 -99.200 -91.000 PHE 185 1.000 -4.692 108.070 -8.321 -99.200 -91.000 HIS 188 0.900 -5.008 120.641 -2.956 -99.200 -91.000 HIS 190 0.900 -14.121 122.091 -6.952 -99.200 -91.000 TRP 194 1.040 -7.381 114.083 -10.823 -99.200 -91.000 TRP6 194 1.020 -8.547 113.594 -8.826 -99.200 -91.000 HIS 198 0.900 5.471 110.550 -1.675 -99.200 -91.000 PHE 199 1.000 2.650 103.168 -4.146 -99.200 -91.000 HIS 224 0.900 -2.811 90.010 1.316 -99.200 -91.000 PHE 240 1.000 -2.301 108.630 4.000 -99.200 -91.000 PHE 264 1.000 -21.139 109.387 13.351 -99.200 -91.000 TRP 273 1.040 -17.909 110.740 18.162 -99.200 -91.000 TRP6 273 1.020 -19.536 109.628 19.472 -99.200 -91.000 TYR 276 0.840 -13.908 98.908 9.838 -99.200 -91.000 HIS 278 0.900 -13.351 93.617 7.790 -99.200 -91.000 HIS 281 0.900 -15.480 83.373 11.675 -99.200 -91.000 TRP 283 1.040 -11.700 80.920 11.275 -99.200 -91.000 TRP6 283 1.020 -12.406 79.230 9.781 -99.200 -91.000 TYR 291 0.840 -15.739 96.598 14.103 -99.200 -91.000 TRP 302 1.040 -11.114 102.051 15.273 -99.200 -91.000 TRP6 302 1.020 -12.941 102.744 13.936 -99.200 -91.000 TYR 315 0.840 -14.586 93.469 -1.514 -99.200 -91.000 PHE 331 1.000 -24.435 106.630 10.717 -99.200 -91.000 TYR 335 0.840 -25.132 93.528 4.228 -99.200 -91.000 TYR 340 0.840 -18.414 86.612 -2.219 -99.200 -91.000 PHE 345 1.000 -30.363 101.288 1.890 -99.200 -91.000 PHE 348 1.000 -26.685 101.230 10.539 -99.200 -91.000 PHE 354 1.000 -22.359 101.579 17.499 -99.200 -91.000 TYR 358 0.840 -28.214 108.257 20.714 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2f28A1 PRO 5 HA -0.01 -0.10 0.21 -0.51 4.44 4.03 2f28A1 PRO 5 HB2 0.01 -0.01 -0.09 -0.04 2.28 2.14 2f28A1 PRO 5 HB3 -0.00 -0.04 0.04 -0.04 2.02 1.98 2f28A1 PRO 5 HG2 -0.01 -0.09 0.06 -0.04 2.03 1.96 2f28A1 PRO 5 HG3 -0.01 -0.02 0.03 -0.04 2.03 1.99 2f28A1 PRO 5 HD2 -0.05 0.19 0.07 -0.04 3.68 3.85 2f28A1 PRO 5 HD3 -0.03 -0.05 0.05 -0.04 3.65 3.58 2f28A1 VAL 6 H 0.02 0.18 0.13 -0.55 8.24 8.01 2f28A1 VAL 6 HA 0.10 0.13 0.97 -0.75 4.13 4.57 2f28A1 VAL 6 HB 0.11 0.10 0.15 -0.04 2.12 2.44 2f28A1 VAL 6 HG13 -0.03 0.01 -0.23 -0.04 0.97 0.68 2f28A1 VAL 6 HG23 0.04 -0.02 -0.19 -0.04 0.95 0.74 2f28A1 LEU 7 H 0.12 0.48 0.42 -0.55 8.37 8.85 2f28A1 LEU 7 HA 0.13 0.11 0.71 -0.75 4.35 4.55 2f28A1 LEU 7 HB2 0.14 0.02 0.04 -0.04 1.64 1.80 2f28A1 LEU 7 HB3 0.23 0.17 0.11 -0.04 1.64 2.11 2f28A1 LEU 7 HG 0.09 -0.12 0.02 -0.04 1.64 1.59 2f28A1 LEU 7 HD13 0.09 -0.01 -0.07 -0.04 0.93 0.90 2f28A1 LEU 7 HD23 0.08 0.01 -0.02 -0.04 0.89 0.92 2f28A1 GLN 8 H 0.09 0.32 0.22 -0.55 8.47 8.56 2f28A1 GLN 8 HA 0.10 0.12 0.63 -0.75 4.36 4.46 2f28A1 GLN 8 HB2 0.16 0.19 -0.17 -0.04 2.15 2.29 2f28A1 GLN 8 HB3 0.20 -0.10 0.01 -0.04 2.02 2.08 2f28A1 GLN 8 HG2 0.33 -0.00 -0.25 -0.04 2.40 2.44 2f28A1 GLN 8 HG3 0.18 0.04 0.03 -0.04 2.39 2.60 2f28A1 GLN 8 HE21 0.23 0.37 0.10 -0.04 6.97 7.63 2f28A1 GLN 8 HE22 0.35 -0.02 -0.04 -0.04 7.69 7.94 2f28A1 LYS 9 H 0.09 0.27 0.09 -0.55 8.42 8.31 2f28A1 LYS 9 HA 0.06 0.32 0.88 -0.75 4.32 4.83 2f28A1 LYS 9 HB2 0.05 0.02 -0.07 -0.04 1.87 1.82 2f28A1 LYS 9 HB3 0.05 -0.03 0.13 -0.04 1.79 1.89 2f28A1 LYS 9 HG2 0.05 -0.06 -0.21 -0.04 1.46 1.20 2f28A1 LYS 9 HG3 0.08 0.05 -0.03 -0.04 1.46 1.53 2f28A1 LYS 9 HD2 0.05 0.06 -0.03 -0.04 1.69 1.72 2f28A1 LYS 9 HD3 0.04 -0.04 -0.04 -0.04 1.68 1.60 2f28A1 LYS 9 HE2 0.07 -0.05 -0.09 -0.04 2.99 2.87 2f28A1 LYS 9 HE3 0.17 0.03 -0.09 -0.04 2.99 3.06 2f28A1 GLU 10 H 0.13 0.67 0.26 -0.55 8.60 9.11 2f28A1 GLU 10 HA 0.04 0.12 0.86 -0.75 4.29 4.56 2f28A1 GLU 10 HB2 0.18 0.01 -0.22 -0.04 2.09 2.01 2f28A1 GLU 10 HB3 0.24 -0.02 -0.01 -0.04 1.99 2.16 2f28A1 GLU 10 HG2 -0.02 0.12 -0.31 -0.04 2.34 2.08 2f28A1 GLU 10 HG3 0.05 -0.01 0.04 -0.04 2.34 2.38 2f28A1 SER 11 H -0.03 0.17 0.12 -0.55 8.46 8.17 2f28A1 SER 11 HA -0.12 0.08 0.68 -0.75 4.49 4.37 2f28A1 SER 11 HB2 -0.07 -0.00 0.13 -0.04 3.95 3.97 2f28A1 SER 11 HB3 -0.08 0.06 -0.03 -0.04 3.93 3.84 2f28A1 VAL 12 H -0.27 0.42 0.38 -0.55 8.24 8.23 2f28A1 VAL 12 HA -0.49 0.18 0.79 -0.75 4.13 3.85 2f28A1 VAL 12 HB -1.24 0.00 -0.00 -0.04 2.12 0.83 2f28A1 VAL 12 HG13 -1.29 0.01 -0.14 -0.04 0.97 -0.50 2f28A1 VAL 12 HG23 -0.49 -0.00 -0.11 -0.04 0.95 0.31 2f28A1 PHE 13 H -0.18 0.34 0.12 -0.55 8.34 8.07 2f28A1 PHE 13 HA -0.42 0.15 0.64 -0.75 4.62 4.24 2f28A1 PHE 13 HB2 -0.21 -0.09 -0.01 -0.04 3.15 2.80 2f28A1 PHE 13 HB3 -0.58 0.01 -0.11 -0.04 3.06 2.34 2f28A1 PHE 13 HD2 -0.58 -0.05 -0.16 -0.04 7.28 6.45 2f28A1 PHE 13 HE2 -0.24 -0.04 -0.30 -0.04 7.38 6.77 2f28A1 PHE 13 HZ -0.19 0.12 -0.29 -0.04 7.32 6.92 2f28A1 GLN 14 H 0.01 0.27 0.10 -0.55 8.47 8.31 2f28A1 GLN 14 HA 0.08 0.27 0.94 -0.75 4.36 4.90 2f28A1 GLN 14 HB2 0.01 -0.02 -0.00 -0.04 2.15 2.09 2f28A1 GLN 14 HB3 0.02 0.00 0.02 -0.04 2.02 2.01 2f28A1 GLN 14 HG2 -0.02 0.06 0.01 -0.04 2.40 2.40 2f28A1 GLN 14 HG3 -0.06 -0.08 -0.62 -0.04 2.39 1.60 2f28A1 GLN 14 HE21 -0.03 -0.01 -0.03 -0.04 6.97 6.86 2f28A1 GLN 14 HE22 -0.03 0.01 -0.05 -0.04 7.69 7.59 2f28A1 SER 15 H 0.05 0.87 0.24 -0.55 8.46 9.08 2f28A1 SER 15 HA 0.04 0.06 0.63 -0.75 4.49 4.46 2f28A1 SER 15 HB2 0.06 0.24 -0.06 -0.04 3.95 4.15 2f28A1 SER 15 HB3 0.03 -0.04 0.05 -0.04 3.93 3.93 2f28A1 GLY 16 H -0.03 0.19 0.18 -0.55 8.43 8.22 2f28A1 GLY 16 HA2 -0.15 0.14 0.52 -0.51 4.01 4.02 2f28A1 GLY 16 HA3 -0.07 0.04 0.39 -0.51 4.01 3.86 2f28A1 ALA 17 H -0.07 -0.05 -0.36 -0.55 8.40 7.37 2f28A1 ALA 17 HA 0.09 0.21 0.67 -0.75 4.34 4.55 2f28A1 ALA 17 HB3 -0.01 -0.00 0.05 -0.04 1.41 1.41 2f28A1 HIS 18 H -0.27 0.43 -0.40 -0.55 8.41 7.63 2f28A1 HIS 18 HA 0.03 0.35 0.40 -0.75 4.63 4.65 2f28A1 HIS 18 HB2 -0.04 0.08 0.14 -0.04 3.26 3.40 2f28A1 HIS 18 HB3 0.01 -0.00 0.15 -0.04 3.20 3.32 2f28A1 HIS 18 HD2 0.17 0.21 0.08 -0.04 6.97 7.39 2f28A1 HIS 18 HE1 0.01 -0.07 0.02 -0.04 7.75 7.67 2f28A1 ALA 19 H -0.10 -0.08 -0.19 -0.55 8.40 7.48 2f28A1 ALA 19 HA -0.16 0.15 0.45 -0.75 4.34 4.02 2f28A1 ALA 19 HB3 -0.41 -0.00 0.00 -0.04 1.41 0.96 2f28A1 TYR 20 H -0.03 0.05 -0.23 -0.55 8.29 7.52 2f28A1 TYR 20 HA -0.11 0.53 1.07 -0.75 4.56 5.30 2f28A1 TYR 20 HB2 -0.02 -0.08 -0.17 -0.04 3.06 2.74 2f28A1 TYR 20 HB3 -0.23 0.03 -0.18 -0.04 2.98 2.56 2f28A1 TYR 20 HD2 -0.11 0.06 -0.31 -0.04 7.15 6.75 2f28A1 TYR 20 HE2 0.01 0.08 -0.09 -0.04 6.85 6.81 2f28A1 ARG 21 H -0.01 0.56 0.26 -0.55 8.46 8.71 2f28A1 ARG 21 HA 0.03 0.08 0.56 -0.75 4.34 4.26 2f28A1 ARG 21 HB2 -0.07 0.05 -0.12 -0.04 1.90 1.72 2f28A1 ARG 21 HB3 -0.11 -0.08 0.08 -0.04 1.80 1.64 2f28A1 ARG 21 HG2 0.08 0.02 0.09 -0.04 1.67 1.82 2f28A1 ARG 21 HG3 -0.01 0.14 -0.34 -0.04 1.67 1.42 2f28A1 ARG 21 HD2 -0.32 0.03 -0.01 -0.04 3.22 2.87 2f28A1 ARG 21 HD3 -0.21 0.02 -0.04 -0.04 3.22 2.94 2f28A1 ILE 22 H -0.06 0.09 0.13 -0.55 8.25 7.86 2f28A1 ILE 22 HA 0.09 0.06 0.38 -0.75 4.18 3.96 2f28A1 ILE 22 HB 0.02 0.04 0.20 -0.04 1.89 2.11 2f28A1 ILE 22 HG12 -0.07 -0.10 -0.35 -0.04 1.49 0.93 2f28A1 ILE 22 HG13 -0.01 0.01 -0.03 -0.04 1.21 1.14 2f28A1 ILE 22 HG23 0.14 0.00 0.07 -0.04 0.93 1.10 2f28A1 ILE 22 HD13 -0.20 0.02 0.06 -0.04 0.88 0.72 2f28A1 PRO 23 HA 0.09 0.35 0.57 -0.51 4.44 4.94 2f28A1 PRO 23 HB2 0.17 0.01 -0.23 -0.04 2.28 2.20 2f28A1 PRO 23 HB3 0.11 -0.04 -0.17 -0.04 2.02 1.88 2f28A1 PRO 23 HG2 0.21 0.07 -0.24 -0.04 2.03 2.03 2f28A1 PRO 23 HG3 0.18 0.02 -0.27 -0.04 2.03 1.91 2f28A1 PRO 23 HD2 0.21 0.03 0.09 -0.04 3.68 3.97 2f28A1 PRO 23 HD3 0.10 0.02 -0.04 -0.04 3.65 3.69 2f28A1 ALA 24 H 0.23 0.56 0.27 -0.55 8.40 8.92 2f28A1 ALA 24 HA 0.25 0.07 0.77 -0.75 4.34 4.68 2f28A1 ALA 24 HB3 0.22 0.02 -0.05 -0.04 1.41 1.56 2f28A1 LEU 25 H 0.32 0.18 0.18 -0.55 8.37 8.51 2f28A1 LEU 25 HA 0.34 0.32 1.11 -0.75 4.35 5.37 2f28A1 LEU 25 HB2 0.30 -0.03 -0.18 -0.04 1.64 1.68 2f28A1 LEU 25 HB3 0.27 0.03 -0.16 -0.04 1.64 1.73 2f28A1 LEU 25 HG 0.30 -0.02 -0.31 -0.04 1.64 1.57 2f28A1 LEU 25 HD13 0.37 0.03 -0.17 -0.04 0.93 1.12 2f28A1 LEU 25 HD23 0.38 -0.01 -0.33 -0.04 0.89 0.89 2f28A1 LEU 26 H 0.33 0.49 0.27 -0.55 8.37 8.92 2f28A1 LEU 26 HA 0.30 0.20 0.93 -0.75 4.35 5.02 2f28A1 LEU 26 HB2 0.43 0.04 -0.19 -0.04 1.64 1.88 2f28A1 LEU 26 HB3 0.44 -0.04 0.04 -0.04 1.64 2.03 2f28A1 LEU 26 HG 0.25 0.05 -0.46 -0.04 1.64 1.44 2f28A1 LEU 26 HD13 0.34 -0.01 -0.05 -0.04 0.93 1.17 2f28A1 LEU 26 HD23 0.41 -0.03 -0.26 -0.04 0.89 0.97 2f28A1 TYR 27 H 0.28 0.21 0.17 -0.55 8.29 8.40 2f28A1 TYR 27 HA 0.04 0.24 0.94 -0.75 4.56 5.03 2f28A1 TYR 27 HB2 0.05 -0.02 -0.03 -0.04 3.06 3.02 2f28A1 TYR 27 HB3 0.03 -0.00 0.16 -0.04 2.98 3.13 2f28A1 TYR 27 HD2 -0.04 -0.02 -0.15 -0.04 7.15 6.90 2f28A1 TYR 27 HE2 -0.10 -0.03 -0.19 -0.04 6.85 6.49 2f28A1 LEU 28 H -0.53 0.75 0.27 -0.55 8.37 8.31 2f28A1 LEU 28 HA -0.58 0.17 0.76 -0.75 4.35 3.94 2f28A1 LEU 28 HB2 -0.32 -0.10 0.16 -0.04 1.64 1.34 2f28A1 LEU 28 HB3 -0.28 -0.08 0.05 -0.04 1.64 1.28 2f28A1 LEU 28 HG -0.05 0.10 -0.24 -0.04 1.64 1.40 2f28A1 LEU 28 HD13 0.01 -0.00 -0.11 -0.04 0.93 0.78 2f28A1 LEU 28 HD23 0.04 0.03 -0.24 -0.04 0.89 0.68 2f28A1 PRO 29 HA -0.37 0.13 0.46 -0.51 4.44 4.15 2f28A1 PRO 29 HB2 -0.01 0.06 -0.02 -0.04 2.28 2.27 2f28A1 PRO 29 HB3 0.06 0.06 0.06 -0.04 2.02 2.16 2f28A1 PRO 29 HG2 -0.24 -0.03 0.09 -0.04 2.03 1.80 2f28A1 PRO 29 HG3 -0.06 0.09 0.07 -0.04 2.03 2.08 2f28A1 PRO 29 HD2 -1.30 0.06 0.24 -0.04 3.68 2.64 2f28A1 PRO 29 HD3 -0.48 0.32 0.12 -0.04 3.65 3.57 2f28A1 GLY 30 H -0.25 0.09 -0.08 -0.55 8.43 7.64 2f28A1 GLY 30 HA2 -0.07 0.16 0.54 -0.51 4.01 4.13 2f28A1 GLY 30 HA3 -0.08 0.02 0.28 -0.51 4.01 3.72 2f28A1 GLN 31 H -0.27 -0.02 -0.14 -0.55 8.47 7.49 2f28A1 GLN 31 HA -0.20 0.12 0.43 -0.75 4.36 3.95 2f28A1 GLN 31 HB2 -0.27 -0.03 -0.01 -0.04 2.15 1.80 2f28A1 GLN 31 HB3 -0.23 0.03 -0.04 -0.04 2.02 1.74 2f28A1 GLN 31 HG2 -0.50 -0.09 -0.01 -0.04 2.40 1.76 2f28A1 GLN 31 HG3 -0.51 0.03 -0.02 -0.04 2.39 1.85 2f28A1 GLN 31 HE21 -0.28 -0.00 -0.05 -0.04 6.97 6.60 2f28A1 GLN 31 HE22 -0.36 0.02 -0.05 -0.04 7.69 7.26 2f28A1 GLN 32 H -0.32 0.17 -0.39 -0.55 8.47 7.38 2f28A1 GLN 32 HA -0.20 0.05 0.29 -0.75 4.36 3.75 2f28A1 GLN 32 HB2 -0.01 0.19 0.05 -0.04 2.15 2.33 2f28A1 GLN 32 HB3 0.13 -0.07 0.24 -0.04 2.02 2.28 2f28A1 GLN 32 HG2 0.08 0.01 0.02 -0.04 2.40 2.46 2f28A1 GLN 32 HG3 -0.03 0.13 -0.25 -0.04 2.39 2.20 2f28A1 GLN 32 HE21 0.03 -0.08 0.02 -0.04 6.97 6.91 2f28A1 GLN 32 HE22 0.01 0.08 0.00 -0.04 7.69 7.74 2f28A1 SER 33 H -0.39 0.26 0.13 -0.55 8.46 7.92 2f28A1 SER 33 HA -0.10 0.13 0.98 -0.75 4.49 4.74 2f28A1 SER 33 HB2 -0.13 0.03 -0.07 -0.04 3.95 3.73 2f28A1 SER 33 HB3 -0.14 0.00 -0.25 -0.04 3.93 3.50 2f28A1 LEU 34 H -0.19 0.75 0.35 -0.55 8.37 8.73 2f28A1 LEU 34 HA 0.10 0.31 1.09 -0.75 4.35 5.09 2f28A1 LEU 34 HB2 -0.35 -0.01 -0.02 -0.04 1.64 1.22 2f28A1 LEU 34 HB3 0.22 0.01 -0.15 -0.04 1.64 1.68 2f28A1 LEU 34 HG 0.11 -0.03 -0.35 -0.04 1.64 1.32 2f28A1 LEU 34 HD13 0.04 -0.01 -0.21 -0.04 0.93 0.71 2f28A1 LEU 34 HD23 0.30 0.01 -0.22 -0.04 0.89 0.93 2f28A1 LEU 35 H 0.19 0.58 0.29 -0.55 8.37 8.89 2f28A1 LEU 35 HA 0.05 0.20 0.89 -0.75 4.35 4.73 2f28A1 LEU 35 HB2 0.28 -0.05 0.12 -0.04 1.64 1.95 2f28A1 LEU 35 HB3 -0.25 0.02 -0.07 -0.04 1.64 1.30 2f28A1 LEU 35 HG 0.15 -0.03 -0.25 -0.04 1.64 1.46 2f28A1 LEU 35 HD13 0.45 0.00 -0.17 -0.04 0.93 1.16 2f28A1 LEU 35 HD23 0.08 0.07 -0.09 -0.04 0.89 0.91 2f28A1 ALA 36 H 0.08 0.74 0.23 -0.55 8.40 8.90 2f28A1 ALA 36 HA 0.17 0.22 1.03 -0.75 4.34 5.00 2f28A1 ALA 36 HB3 -0.13 -0.01 0.00 -0.04 1.41 1.22 2f28A1 PHE 37 H 0.34 0.77 0.35 -0.55 8.34 9.24 2f28A1 PHE 37 HA 0.06 0.33 1.03 -0.75 4.62 5.29 2f28A1 PHE 37 HB2 0.07 -0.03 0.06 -0.04 3.15 3.21 2f28A1 PHE 37 HB3 -0.01 0.03 0.06 -0.04 3.06 3.10 2f28A1 PHE 37 HD2 0.04 0.11 -0.18 -0.04 7.28 7.21 2f28A1 PHE 37 HE2 -0.02 -0.02 -0.18 -0.04 7.38 7.11 2f28A1 PHE 37 HZ 0.33 -0.04 -0.18 -0.04 7.32 7.39 2f28A1 ALA 38 H 0.01 0.50 0.35 -0.55 8.40 8.71 2f28A1 ALA 38 HA -0.06 0.30 0.46 -0.75 4.34 4.28 2f28A1 ALA 38 HB3 -0.69 -0.01 -0.20 -0.04 1.41 0.48 2f28A1 GLU 39 H -0.06 0.78 0.36 -0.55 8.60 9.14 2f28A1 GLU 39 HA -0.04 0.19 0.86 -0.75 4.29 4.55 2f28A1 GLU 39 HB2 -0.04 0.03 0.12 -0.04 2.09 2.17 2f28A1 GLU 39 HB3 -0.04 0.03 -0.05 -0.04 1.99 1.88 2f28A1 GLU 39 HG2 -0.02 0.17 0.05 -0.04 2.34 2.50 2f28A1 GLU 39 HG3 -0.00 -0.00 0.05 -0.04 2.34 2.35 2f28A1 GLN 40 H -0.04 0.74 0.30 -0.55 8.47 8.92 2f28A1 GLN 40 HA -0.20 0.34 0.95 -0.75 4.36 4.70 2f28A1 GLN 40 HB2 0.14 -0.06 -0.16 -0.04 2.15 2.03 2f28A1 GLN 40 HB3 -0.01 -0.06 0.07 -0.04 2.02 1.98 2f28A1 GLN 40 HG2 -0.18 0.16 -0.23 -0.04 2.40 2.11 2f28A1 GLN 40 HG3 -0.41 -0.05 -0.10 -0.04 2.39 1.79 2f28A1 GLN 40 HE21 0.13 -0.04 -0.08 -0.04 6.97 6.93 2f28A1 GLN 40 HE22 0.27 -0.00 -0.09 -0.04 7.69 7.82 2f28A1 ARG 41 H -0.19 0.66 0.18 -0.55 8.46 8.56 2f28A1 ARG 41 HA -0.07 0.17 0.45 -0.75 4.34 4.13 2f28A1 ARG 41 HB2 -0.07 0.00 0.16 -0.04 1.90 1.95 2f28A1 ARG 41 HB3 -0.09 0.04 0.07 -0.04 1.80 1.79 2f28A1 ARG 41 HG2 -0.12 0.10 0.17 -0.04 1.67 1.79 2f28A1 ARG 41 HG3 -0.12 -0.12 0.11 -0.04 1.67 1.50 2f28A1 ARG 41 HD2 -0.06 -0.05 0.04 -0.04 3.22 3.11 2f28A1 ARG 41 HD3 -0.06 0.06 0.01 -0.04 3.22 3.19 2f28A1 GLU 50 HA -0.04 0.07 0.25 -0.75 4.29 3.81 2f28A1 GLU 50 HB2 -0.04 -0.08 0.12 -0.04 2.09 2.06 2f28A1 GLU 50 HB3 -0.02 -0.08 0.08 -0.04 1.99 1.92 2f28A1 GLU 50 HG2 -0.04 0.22 -0.18 -0.04 2.34 2.31 2f28A1 GLU 50 HG3 -0.05 0.01 -0.40 -0.04 2.34 1.86 2f28A1 LEU 51 H -0.04 0.43 0.25 -0.55 8.37 8.46 2f28A1 LEU 51 HA -0.07 0.19 0.96 -0.75 4.35 4.67 2f28A1 LEU 51 HB2 -0.06 -0.03 0.09 -0.04 1.64 1.60 2f28A1 LEU 51 HB3 -0.04 0.05 -0.06 -0.04 1.64 1.56 2f28A1 LEU 51 HG -0.03 0.07 0.07 -0.04 1.64 1.72 2f28A1 LEU 51 HD13 -0.00 -0.02 -0.38 -0.04 0.93 0.48 2f28A1 LEU 51 HD23 -0.01 -0.02 -0.06 -0.04 0.89 0.76 2f28A1 ILE 52 H -0.14 0.23 0.18 -0.55 8.25 7.98 2f28A1 ILE 52 HA -0.05 0.29 1.07 -0.75 4.18 4.74 2f28A1 ILE 52 HB -0.24 -0.01 0.15 -0.04 1.89 1.75 2f28A1 ILE 52 HG12 -0.08 0.03 -0.18 -0.04 1.49 1.22 2f28A1 ILE 52 HG13 -0.17 -0.01 -0.29 -0.04 1.21 0.70 2f28A1 ILE 52 HG23 -0.01 -0.01 -0.11 -0.04 0.93 0.76 2f28A1 ILE 52 HD13 -0.29 0.00 -0.19 -0.04 0.88 0.36 2f28A1 VAL 53 H -0.02 0.68 0.35 -0.55 8.24 8.69 2f28A1 VAL 53 HA 0.03 0.10 1.06 -0.75 4.13 4.57 2f28A1 VAL 53 HB 0.12 -0.02 -0.01 -0.04 2.12 2.17 2f28A1 VAL 53 HG13 0.11 -0.02 -0.23 -0.04 0.97 0.79 2f28A1 VAL 53 HG23 -0.12 0.02 -0.20 -0.04 0.95 0.61 2f28A1 LEU 54 H 0.08 0.56 0.37 -0.55 8.37 8.83 2f28A1 LEU 54 HA -0.02 0.37 0.93 -0.75 4.35 4.89 2f28A1 LEU 54 HB2 -0.17 0.02 -0.20 -0.04 1.64 1.24 2f28A1 LEU 54 HB3 0.03 -0.00 -0.08 -0.04 1.64 1.54 2f28A1 LEU 54 HG -0.01 -0.05 -0.47 -0.04 1.64 1.08 2f28A1 LEU 54 HD13 -0.67 -0.00 -0.17 -0.04 0.93 0.04 2f28A1 LEU 54 HD23 0.23 -0.00 -0.16 -0.04 0.89 0.92 2f28A1 ARG 55 H -0.02 0.58 0.28 -0.55 8.46 8.75 2f28A1 ARG 55 HA 0.03 0.21 0.76 -0.75 4.34 4.58 2f28A1 ARG 55 HB2 -0.31 -0.05 0.08 -0.04 1.90 1.58 2f28A1 ARG 55 HB3 0.00 0.07 -0.04 -0.04 1.80 1.79 2f28A1 ARG 55 HG2 -0.12 0.02 -0.07 -0.04 1.67 1.45 2f28A1 ARG 55 HG3 -0.29 -0.07 -0.25 -0.04 1.67 1.02 2f28A1 ARG 55 HD2 -0.71 0.03 0.04 -0.04 3.22 2.55 2f28A1 ARG 55 HD3 -0.98 -0.06 -0.02 -0.04 3.22 2.12 2f28A1 ARG 56 H 0.09 0.21 0.10 -0.55 8.46 8.31 2f28A1 ARG 56 HA 0.09 0.27 0.86 -0.75 4.34 4.80 2f28A1 ARG 56 HB2 0.06 0.02 0.02 -0.04 1.90 1.96 2f28A1 ARG 56 HB3 0.02 -0.05 0.05 -0.04 1.80 1.78 2f28A1 ARG 56 HG2 -0.04 -0.05 -0.07 -0.04 1.67 1.47 2f28A1 ARG 56 HG3 0.02 0.06 -0.01 -0.04 1.67 1.70 2f28A1 ARG 56 HD2 -0.01 -0.05 -0.08 -0.04 3.22 3.05 2f28A1 ARG 56 HD3 0.01 0.03 -0.09 -0.04 3.22 3.13 2f28A1 GLY 57 H -0.17 0.53 0.25 -0.55 8.43 8.49 2f28A1 GLY 57 HA2 -0.34 0.30 0.70 -0.51 4.01 4.16 2f28A1 GLY 57 HA3 -1.15 -0.02 0.07 -0.51 4.01 2.40 2f28A1 ASP 58 H -0.25 0.28 0.16 -0.55 8.40 8.04 2f28A1 ASP 58 HA -0.15 0.14 0.86 -0.75 4.63 4.72 2f28A1 ASP 58 HB2 -0.14 -0.07 0.06 -0.04 2.71 2.52 2f28A1 ASP 58 HB3 -0.10 0.18 0.01 -0.04 2.70 2.74 2f28A1 TYR 59 H 0.04 0.76 0.37 -0.55 8.29 8.91 2f28A1 TYR 59 HA -0.13 0.03 0.49 -0.75 4.56 4.19 2f28A1 TYR 59 HB2 -0.00 -0.04 -0.05 -0.04 3.06 2.93 2f28A1 TYR 59 HB3 -0.01 0.14 0.20 -0.04 2.98 3.27 2f28A1 TYR 59 HD2 -0.00 -0.02 -0.20 -0.04 7.15 6.89 2f28A1 TYR 59 HE2 0.02 0.03 -0.17 -0.04 6.85 6.69 2f28A1 ASP 60 H -0.29 0.81 0.30 -0.55 8.40 8.68 2f28A1 ASP 60 HA -0.21 0.10 0.70 -0.75 4.63 4.48 2f28A1 ASP 60 HB2 -0.17 0.04 0.09 -0.04 2.71 2.63 2f28A1 ASP 60 HB3 -0.22 -0.02 0.22 -0.04 2.70 2.63 2f28A1 ALA 61 H -0.25 0.30 0.12 -0.55 8.40 8.02 2f28A1 ALA 61 HA -0.54 0.05 0.33 -0.75 4.34 3.42 2f28A1 ALA 61 HB3 -0.04 0.03 0.09 -0.04 1.41 1.45 2f28A1 PRO 62 HA -0.02 0.09 0.40 -0.51 4.44 4.39 2f28A1 PRO 62 HB2 -0.07 0.01 -0.02 -0.04 2.28 2.16 2f28A1 PRO 62 HB3 -0.04 0.03 0.07 -0.04 2.02 2.04 2f28A1 PRO 62 HG2 -0.06 0.04 0.04 -0.04 2.03 2.01 2f28A1 PRO 62 HG3 -0.05 0.05 0.05 -0.04 2.03 2.05 2f28A1 PRO 62 HD2 -0.13 0.04 -0.07 -0.04 3.68 3.48 2f28A1 PRO 62 HD3 -0.10 0.09 0.15 -0.04 3.65 3.75 2f28A1 THR 63 H -0.16 0.20 -0.41 -0.55 8.28 7.36 2f28A1 THR 63 HA -0.14 0.22 0.91 -0.75 4.39 4.63 2f28A1 THR 63 HB -0.21 0.01 0.09 -0.04 4.32 4.17 2f28A1 THR 63 HG23 -0.09 -0.02 -0.13 -0.04 1.22 0.94 2f28A1 HIS 64 H -0.16 0.25 -0.13 -0.55 8.41 7.82 2f28A1 HIS 64 HA -0.46 -0.02 0.23 -0.75 4.63 3.62 2f28A1 HIS 64 HB2 0.12 -0.10 0.17 -0.04 3.26 3.42 2f28A1 HIS 64 HB3 0.02 0.04 0.06 -0.04 3.20 3.27 2f28A1 HIS 64 HD2 0.05 -0.08 0.11 -0.04 6.97 7.01 2f28A1 HIS 64 HE1 -0.01 -0.05 -0.05 -0.04 7.75 7.59 2f28A1 GLN 65 H -0.28 0.29 -0.11 -0.55 8.47 7.83 2f28A1 GLN 65 HA 0.05 0.15 0.70 -0.75 4.36 4.50 2f28A1 GLN 65 HB2 -0.13 -0.11 -0.12 -0.04 2.15 1.74 2f28A1 GLN 65 HB3 -0.04 0.02 -0.08 -0.04 2.02 1.88 2f28A1 GLN 65 HG2 -0.29 0.44 -0.42 -0.04 2.40 2.09 2f28A1 GLN 65 HG3 -0.13 -0.10 -0.07 -0.04 2.39 2.05 2f28A1 GLN 65 HE21 0.06 0.57 0.23 -0.04 6.97 7.79 2f28A1 GLN 65 HE22 -0.10 0.19 0.04 -0.04 7.69 7.79 2f28A1 VAL 66 H 0.08 0.18 0.04 -0.55 8.24 7.98 2f28A1 VAL 66 HA -0.22 0.27 0.72 -0.75 4.13 4.14 2f28A1 VAL 66 HB -0.35 -0.03 -0.02 -0.04 2.12 1.68 2f28A1 VAL 66 HG13 -1.58 -0.00 -0.48 -0.04 0.97 -1.13 2f28A1 VAL 66 HG23 0.03 0.00 -0.24 -0.04 0.95 0.70 2f28A1 GLN 67 H -0.32 0.60 0.16 -0.55 8.47 8.38 2f28A1 GLN 67 HA -0.14 0.12 0.74 -0.75 4.36 4.33 2f28A1 GLN 67 HB2 -0.16 -0.04 0.21 -0.04 2.15 2.12 2f28A1 GLN 67 HB3 -0.10 0.03 0.02 -0.04 2.02 1.93 2f28A1 GLN 67 HG2 -0.09 0.03 -0.10 -0.04 2.40 2.19 2f28A1 GLN 67 HG3 -0.15 0.04 -0.16 -0.04 2.39 2.08 2f28A1 GLN 67 HE21 -0.09 -0.03 -0.02 -0.04 6.97 6.80 2f28A1 GLN 67 HE22 -0.10 0.02 -0.05 -0.04 7.69 7.52 2f28A1 TRP 68 H -0.02 0.20 0.03 -0.55 7.97 7.64 2f28A1 TRP 68 HA -0.13 0.10 0.52 -0.75 4.62 4.37 2f28A1 TRP 68 HB2 -0.13 -0.04 0.08 -0.04 3.23 3.10 2f28A1 TRP 68 HB3 -0.18 0.12 -0.05 -0.04 3.23 3.08 2f28A1 TRP 68 HD1 -0.08 0.02 -0.04 -0.04 7.22 7.07 2f28A1 TRP 68 HE1 -0.35 -0.03 -0.13 -0.04 10.20 9.65 2f28A1 TRP 68 HE3 -0.20 0.09 -0.50 -0.04 7.59 6.94 2f28A1 TRP 68 HZ2 -2.18 -0.02 -0.19 -0.04 7.44 5.01 2f28A1 TRP 68 HZ3 -0.17 0.15 -0.28 -0.04 7.13 6.78 2f28A1 TRP 68 HH2 -0.30 -0.04 -0.27 -0.04 7.19 6.54 2f28A1 GLN 69 H 0.12 0.74 0.40 -0.55 8.47 9.18 2f28A1 GLN 69 HA 0.03 0.07 0.66 -0.75 4.36 4.36 2f28A1 GLN 69 HB2 0.04 -0.01 0.15 -0.04 2.15 2.28 2f28A1 GLN 69 HB3 0.01 -0.11 0.19 -0.04 2.02 2.07 2f28A1 GLN 69 HG2 -0.02 -0.02 -0.02 -0.04 2.40 2.29 2f28A1 GLN 69 HG3 -0.04 0.16 0.09 -0.04 2.39 2.56 2f28A1 GLN 69 HE21 -0.04 -0.02 -0.04 -0.04 6.97 6.83 2f28A1 GLN 69 HE22 -0.07 -0.01 -0.02 -0.04 7.69 7.54 2f28A1 ALA 70 H 0.01 0.05 0.16 -0.55 8.40 8.08 2f28A1 ALA 70 HA -0.01 0.03 0.44 -0.75 4.34 4.05 2f28A1 ALA 70 HB3 0.01 0.01 0.12 -0.04 1.41 1.50 2f28A1 GLN 71 H -0.03 0.04 0.21 -0.55 8.47 8.15 2f28A1 GLN 71 HA 0.01 0.26 0.61 -0.75 4.36 4.48 2f28A1 GLN 71 HB2 -0.07 0.06 0.11 -0.04 2.15 2.21 2f28A1 GLN 71 HB3 0.01 -0.08 0.13 -0.04 2.02 2.04 2f28A1 GLN 71 HG2 0.09 -0.04 -0.32 -0.04 2.40 2.08 2f28A1 GLN 71 HG3 0.17 0.02 -0.04 -0.04 2.39 2.49 2f28A1 GLN 71 HE21 0.34 -0.00 -0.09 -0.04 6.97 7.18 2f28A1 GLN 71 HE22 0.15 -0.03 -0.15 -0.04 7.69 7.62 2f28A1 GLU 72 H 0.06 0.59 0.42 -0.55 8.60 9.13 2f28A1 GLU 72 HA 0.05 0.08 0.76 -0.75 4.29 4.42 2f28A1 GLU 72 HB2 0.06 -0.03 0.09 -0.04 2.09 2.17 2f28A1 GLU 72 HB3 0.05 0.06 -0.13 -0.04 1.99 1.93 2f28A1 GLU 72 HG2 0.07 0.15 0.07 -0.04 2.34 2.58 2f28A1 GLU 72 HG3 0.09 -0.04 -0.21 -0.04 2.34 2.14 2f28A1 VAL 73 H 0.04 0.12 0.16 -0.55 8.24 8.02 2f28A1 VAL 73 HA 0.03 0.16 0.70 -0.75 4.13 4.26 2f28A1 VAL 73 HB 0.02 -0.06 0.12 -0.04 2.12 2.16 2f28A1 VAL 73 HG13 -0.01 0.01 -0.26 -0.04 0.97 0.66 2f28A1 VAL 73 HG23 0.03 0.01 -0.04 -0.04 0.95 0.91 2f28A1 VAL 74 H -0.04 0.82 0.29 -0.55 8.24 8.75 2f28A1 VAL 74 HA -0.06 0.08 0.60 -0.75 4.13 4.00 2f28A1 VAL 74 HB -0.24 0.08 0.19 -0.04 2.12 2.11 2f28A1 VAL 74 HG13 -0.64 -0.07 -0.07 -0.04 0.97 0.14 2f28A1 VAL 74 HG23 -0.05 0.02 -0.19 -0.04 0.95 0.69 2f28A1 ALA 75 H 0.01 0.45 -0.11 -0.55 8.40 8.20 2f28A1 ALA 75 HA -0.03 0.08 0.22 -0.75 4.34 3.85 2f28A1 ALA 75 HB3 0.02 -0.00 0.03 -0.04 1.41 1.42 2f28A1 GLN 76 H 0.01 0.02 -0.31 -0.55 8.47 7.65 2f28A1 GLN 76 HA 0.03 0.09 0.46 -0.75 4.36 4.18 2f28A1 GLN 76 HB2 0.10 -0.10 -0.08 -0.04 2.15 2.03 2f28A1 GLN 76 HB3 0.11 0.24 -0.02 -0.04 2.02 2.30 2f28A1 GLN 76 HG2 0.11 -0.14 -0.04 -0.04 2.40 2.29 2f28A1 GLN 76 HG3 0.19 0.14 -0.10 -0.04 2.39 2.57 2f28A1 GLN 76 HE21 0.06 -0.11 -0.09 -0.04 6.97 6.78 2f28A1 GLN 76 HE22 0.10 0.33 -0.12 -0.04 7.69 7.96 2f28A1 ALA 77 H -0.21 0.24 -0.38 -0.55 8.40 7.51 2f28A1 ALA 77 HA -0.29 0.04 0.37 -0.75 4.34 3.71 2f28A1 ALA 77 HB3 -0.76 0.01 0.06 -0.04 1.41 0.68 2f28A1 ARG 78 H 0.03 0.64 0.04 -0.55 8.46 8.62 2f28A1 ARG 78 HA 0.07 0.01 0.30 -0.75 4.34 3.96 2f28A1 ARG 78 HB2 0.01 0.04 0.01 -0.04 1.90 1.92 2f28A1 ARG 78 HB3 -0.11 0.19 -0.07 -0.04 1.80 1.76 2f28A1 ARG 78 HG2 -0.04 -0.05 -0.16 -0.04 1.67 1.38 2f28A1 ARG 78 HG3 -0.04 0.14 -0.34 -0.04 1.67 1.39 2f28A1 ARG 78 HD2 0.01 -0.06 -0.15 -0.04 3.22 2.99 2f28A1 ARG 78 HD3 0.03 -0.06 -0.44 -0.04 3.22 2.70 2f28A1 LEU 79 H 0.10 0.24 0.03 -0.55 8.37 8.19 2f28A1 LEU 79 HA 0.02 0.15 0.86 -0.75 4.35 4.63 2f28A1 LEU 79 HB2 -0.30 0.00 -0.06 -0.04 1.64 1.24 2f28A1 LEU 79 HB3 -0.22 0.03 -0.03 -0.04 1.64 1.38 2f28A1 LEU 79 HG 0.01 -0.03 -0.26 -0.04 1.64 1.33 2f28A1 LEU 79 HD13 -0.31 -0.00 -0.12 -0.04 0.93 0.45 2f28A1 LEU 79 HD23 -0.02 0.03 -0.13 -0.04 0.89 0.72 2f28A1 ASP 80 H 0.04 0.11 0.11 -0.55 8.40 8.11 2f28A1 ASP 80 HA 0.07 0.03 0.40 -0.75 4.63 4.37 2f28A1 ASP 80 HB2 0.06 -0.01 0.11 -0.04 2.71 2.84 2f28A1 ASP 80 HB3 0.05 0.01 0.04 -0.04 2.70 2.76 2f28A1 GLY 81 H 0.07 0.12 0.22 -0.55 8.43 8.29 2f28A1 GLY 81 HA2 0.02 -0.01 0.37 -0.51 4.01 3.89 2f28A1 GLY 81 HA3 0.05 0.03 0.44 -0.51 4.01 4.01 2f28A1 HIS 82 H 0.19 0.46 -0.11 -0.55 8.41 8.41 2f28A1 HIS 82 HA 0.02 0.11 0.97 -0.75 4.63 4.97 2f28A1 HIS 82 HB2 0.05 -0.00 -0.08 -0.04 3.26 3.19 2f28A1 HIS 82 HB3 0.05 -0.00 -0.16 -0.04 3.20 3.05 2f28A1 HIS 82 HD2 0.03 0.05 -0.56 -0.04 6.97 6.45 2f28A1 HIS 82 HE1 0.03 -0.06 -0.08 -0.04 7.75 7.59 2f28A1 ARG 83 H 0.07 0.87 0.34 -0.55 8.46 9.19 2f28A1 ARG 83 HA 0.03 0.29 0.90 -0.75 4.34 4.81 2f28A1 ARG 83 HB2 0.02 -0.09 0.10 -0.04 1.90 1.88 2f28A1 ARG 83 HB3 0.00 0.07 0.09 -0.04 1.80 1.92 2f28A1 ARG 83 HG2 -0.01 0.05 0.00 -0.04 1.67 1.67 2f28A1 ARG 83 HG3 -0.01 -0.01 -0.08 -0.04 1.67 1.52 2f28A1 ARG 83 HD2 -0.02 0.02 0.05 -0.04 3.22 3.22 2f28A1 ARG 83 HD3 -0.03 -0.00 0.05 -0.04 3.22 3.20 2f28A1 SER 84 H 0.00 0.76 0.31 -0.55 8.46 8.98 2f28A1 SER 84 HA 0.13 0.28 1.02 -0.75 4.49 5.17 2f28A1 SER 84 HB2 -0.12 -0.10 0.18 -0.04 3.95 3.87 2f28A1 SER 84 HB3 -0.24 -0.04 0.00 -0.04 3.93 3.61 2f28A1 MET 85 H 0.14 0.62 0.34 -0.55 8.47 9.03 2f28A1 MET 85 HA 0.01 0.11 0.57 -0.75 4.52 4.46 2f28A1 MET 85 HB2 0.03 -0.09 0.07 -0.04 2.15 2.12 2f28A1 MET 85 HB3 0.01 0.10 -0.21 -0.04 2.03 1.89 2f28A1 MET 85 HG2 0.05 0.11 -0.16 -0.04 2.63 2.58 2f28A1 MET 85 HG3 0.03 -0.03 -0.17 -0.04 2.56 2.35 2f28A1 MET 85 HE3 0.01 0.03 -0.23 -0.04 2.10 1.87 2f28A1 ASN 86 H 0.05 0.12 0.12 -0.55 8.53 8.26 2f28A1 ASN 86 HA 0.09 0.05 0.39 -0.75 4.76 4.54 2f28A1 ASN 86 HB2 0.07 -0.05 -0.18 -0.04 2.88 2.68 2f28A1 ASN 86 HB3 0.09 0.26 0.21 -0.04 2.79 3.30 2f28A1 ASN 86 HD21 0.21 -0.06 -0.11 -0.04 7.03 7.02 2f28A1 ASN 86 HD22 0.13 0.49 -0.16 -0.04 7.74 8.16 2f28A1 PRO 87 HA -0.02 0.15 0.43 -0.51 4.44 4.48 2f28A1 PRO 87 HB2 -0.17 -0.03 -0.09 -0.04 2.28 1.95 2f28A1 PRO 87 HB3 -0.11 0.00 -0.03 -0.04 2.02 1.84 2f28A1 PRO 87 HG2 0.08 0.02 -0.03 -0.04 2.03 2.06 2f28A1 PRO 87 HG3 0.06 0.01 -0.15 -0.04 2.03 1.92 2f28A1 PRO 87 HD2 0.05 0.05 0.17 -0.04 3.68 3.91 2f28A1 PRO 87 HD3 0.01 0.07 -0.10 -0.04 3.65 3.59 2f28A1 CYS 88 H 0.03 0.45 0.18 -0.55 8.50 8.62 2f28A1 CYS 88 HA 0.11 0.34 0.69 -0.75 4.58 4.97 2f28A1 CYS 88 HB2 0.21 -0.08 0.11 -0.04 2.97 3.17 2f28A1 CYS 88 HB3 0.15 0.00 0.05 -0.04 2.97 3.13 2f28A1 PRO 89 HA 0.17 0.36 0.96 -0.51 4.44 5.42 2f28A1 PRO 89 HB2 0.32 -0.02 -0.09 -0.04 2.28 2.46 2f28A1 PRO 89 HB3 -0.23 -0.02 -0.03 -0.04 2.02 1.70 2f28A1 PRO 89 HG2 0.31 0.06 -0.08 -0.04 2.03 2.28 2f28A1 PRO 89 HG3 0.33 0.01 -0.29 -0.04 2.03 2.04 2f28A1 PRO 89 HD2 0.17 0.13 -0.32 -0.04 3.68 3.63 2f28A1 PRO 89 HD3 -0.05 0.09 -0.35 -0.04 3.65 3.31 2f28A1 LEU 90 H 0.35 0.58 0.42 -0.55 8.37 9.17 2f28A1 LEU 90 HA 0.35 0.15 0.78 -0.75 4.35 4.88 2f28A1 LEU 90 HB2 0.34 0.07 -0.19 -0.04 1.64 1.82 2f28A1 LEU 90 HB3 0.41 -0.05 -0.01 -0.04 1.64 1.95 2f28A1 LEU 90 HG 0.25 0.05 -0.11 -0.04 1.64 1.80 2f28A1 LEU 90 HD13 0.19 -0.01 -0.18 -0.04 0.93 0.89 2f28A1 LEU 90 HD23 0.20 -0.04 -0.54 -0.04 0.89 0.46 2f28A1 TYR 91 H 0.39 0.27 0.19 -0.55 8.29 8.60 2f28A1 TYR 91 HA 0.24 0.15 0.87 -0.75 4.56 5.07 2f28A1 TYR 91 HB2 0.18 0.02 0.01 -0.04 3.06 3.22 2f28A1 TYR 91 HB3 0.19 0.04 0.20 -0.04 2.98 3.37 2f28A1 TYR 91 HD2 0.13 0.03 -0.06 -0.04 7.15 7.21 2f28A1 TYR 91 HE2 0.08 0.02 -0.01 -0.04 6.85 6.90 2f28A1 ASP 92 H -0.01 0.74 0.15 -0.55 8.40 8.73 2f28A1 ASP 92 HA -0.01 0.15 0.75 -0.75 4.63 4.77 2f28A1 ASP 92 HB2 0.37 0.11 0.06 -0.04 2.71 3.21 2f28A1 ASP 92 HB3 0.08 -0.14 0.27 -0.04 2.70 2.87 2f28A1 ALA 93 H -0.14 0.30 0.18 -0.55 8.40 8.20 2f28A1 ALA 93 HA -0.42 0.07 0.36 -0.75 4.34 3.59 2f28A1 ALA 93 HB3 0.09 0.04 0.10 -0.04 1.41 1.60 2f28A1 GLN 94 H -0.01 0.03 -0.23 -0.55 8.47 7.71 2f28A1 GLN 94 HA 0.01 0.17 0.56 -0.75 4.36 4.34 2f28A1 GLN 94 HB2 0.10 0.06 0.06 -0.04 2.15 2.32 2f28A1 GLN 94 HB3 0.06 -0.06 0.08 -0.04 2.02 2.06 2f28A1 GLN 94 HG2 0.02 0.04 -0.03 -0.04 2.40 2.38 2f28A1 GLN 94 HG3 -0.17 -0.02 -0.28 -0.04 2.39 1.89 2f28A1 GLN 94 HE21 0.02 -0.01 0.03 -0.04 6.97 6.97 2f28A1 GLN 94 HE22 0.05 0.02 0.01 -0.04 7.69 7.73 2f28A1 THR 95 H -0.09 -0.01 -0.07 -0.55 8.28 7.57 2f28A1 THR 95 HA -0.07 0.26 0.89 -0.75 4.39 4.72 2f28A1 THR 95 HB -0.08 0.03 0.09 -0.04 4.32 4.31 2f28A1 THR 95 HG23 -0.27 0.01 -0.06 -0.04 1.22 0.86 2f28A1 GLY 96 H -0.15 0.61 0.13 -0.55 8.43 8.48 2f28A1 GLY 96 HA2 0.01 0.02 0.30 -0.51 4.01 3.82 2f28A1 GLY 96 HA3 0.06 0.12 0.63 -0.51 4.01 4.31 2f28A1 THR 97 H -0.04 -0.07 -0.26 -0.55 8.28 7.37 2f28A1 THR 97 HA -0.08 0.18 0.60 -0.75 4.39 4.33 2f28A1 THR 97 HB -0.01 -0.07 0.05 -0.04 4.32 4.24 2f28A1 THR 97 HG23 -0.37 0.03 -0.12 -0.04 1.22 0.72 2f28A1 LEU 98 H -0.11 0.52 0.44 -0.55 8.37 8.67 2f28A1 LEU 98 HA 0.28 0.26 1.09 -0.75 4.35 5.22 2f28A1 LEU 98 HB2 -0.05 -0.16 0.10 -0.04 1.64 1.50 2f28A1 LEU 98 HB3 0.35 0.11 -0.00 -0.04 1.64 2.05 2f28A1 LEU 98 HG 0.04 -0.06 -0.01 -0.04 1.64 1.57 2f28A1 LEU 98 HD13 0.15 -0.00 -0.28 -0.04 0.93 0.76 2f28A1 LEU 98 HD23 0.38 0.02 -0.17 -0.04 0.89 1.08 2f28A1 PHE 99 H 0.46 0.77 0.39 -0.55 8.34 9.41 2f28A1 PHE 99 HA 0.06 0.20 1.02 -0.75 4.62 5.14 2f28A1 PHE 99 HB2 0.11 -0.03 0.10 -0.04 3.15 3.29 2f28A1 PHE 99 HB3 -0.65 0.04 -0.07 -0.04 3.06 2.35 2f28A1 PHE 99 HD2 -0.03 0.03 -0.19 -0.04 7.28 7.04 2f28A1 PHE 99 HE2 0.15 -0.01 -0.12 -0.04 7.38 7.36 2f28A1 PHE 99 HZ 0.13 0.19 -0.06 -0.04 7.32 7.54 2f28A1 LEU 100 H 0.03 0.60 0.23 -0.55 8.37 8.69 2f28A1 LEU 100 HA -0.06 0.16 0.80 -0.75 4.35 4.50 2f28A1 LEU 100 HB2 -0.41 -0.03 -0.12 -0.04 1.64 1.04 2f28A1 LEU 100 HB3 -0.29 -0.05 0.10 -0.04 1.64 1.36 2f28A1 LEU 100 HG -0.16 0.09 -0.36 -0.04 1.64 1.16 2f28A1 LEU 100 HD13 -0.80 -0.01 -0.16 -0.04 0.93 -0.08 2f28A1 LEU 100 HD23 -0.65 -0.01 -0.13 -0.04 0.89 0.05 2f28A1 PHE 101 H 0.17 0.68 0.15 -0.55 8.34 8.79 2f28A1 PHE 101 HA 0.01 0.20 0.91 -0.75 4.62 4.98 2f28A1 PHE 101 HB2 0.01 0.10 0.18 -0.04 3.15 3.39 2f28A1 PHE 101 HB3 -0.08 0.01 0.11 -0.04 3.06 3.05 2f28A1 PHE 101 HD2 -0.04 0.19 -0.01 -0.04 7.28 7.38 2f28A1 PHE 101 HE2 0.05 -0.03 -0.13 -0.04 7.38 7.23 2f28A1 PHE 101 HZ 0.19 -0.06 -0.14 -0.04 7.32 7.27 2f28A1 PHE 102 H -0.16 0.54 0.32 -0.55 8.34 8.50 2f28A1 PHE 102 HA 0.02 0.38 0.52 -0.75 4.62 4.79 2f28A1 PHE 102 HB2 -0.04 0.12 -0.00 -0.04 3.15 3.19 2f28A1 PHE 102 HB3 -0.08 -0.00 -0.36 -0.04 3.06 2.58 2f28A1 PHE 102 HD2 -0.07 0.17 -0.41 -0.04 7.28 6.93 2f28A1 PHE 102 HE2 -0.05 -0.05 -0.37 -0.04 7.38 6.87 2f28A1 PHE 102 HZ -0.04 0.01 -0.28 -0.04 7.32 6.97 2f28A1 ILE 103 H 0.20 0.77 0.34 -0.55 8.25 9.01 2f28A1 ILE 103 HA -0.06 0.25 1.06 -0.75 4.18 4.68 2f28A1 ILE 103 HB 0.02 -0.01 0.05 -0.04 1.89 1.91 2f28A1 ILE 103 HG12 0.01 0.03 -0.06 -0.04 1.49 1.44 2f28A1 ILE 103 HG13 -0.09 -0.02 0.10 -0.04 1.21 1.16 2f28A1 ILE 103 HG23 -0.15 0.01 -0.10 -0.04 0.93 0.65 2f28A1 ILE 103 HD13 -0.11 0.01 -0.12 -0.04 0.88 0.62 2f28A1 ALA 104 H -0.01 0.53 0.35 -0.55 8.40 8.71 2f28A1 ALA 104 HA 0.16 0.48 1.04 -0.75 4.34 5.27 2f28A1 ALA 104 HB3 0.08 -0.04 -0.08 -0.04 1.41 1.33 2f28A1 ILE 105 H 0.13 0.64 0.31 -0.55 8.25 8.78 2f28A1 ILE 105 HA 0.14 0.25 0.99 -0.75 4.18 4.81 2f28A1 ILE 105 HB 0.01 0.01 0.04 -0.04 1.89 1.91 2f28A1 ILE 105 HG12 -0.02 -0.02 -0.04 -0.04 1.49 1.37 2f28A1 ILE 105 HG13 -0.01 -0.11 -0.48 -0.04 1.21 0.57 2f28A1 ILE 105 HG23 -0.01 0.05 -0.07 -0.04 0.93 0.86 2f28A1 ILE 105 HD13 -0.04 0.01 -0.06 -0.04 0.88 0.74 2f28A1 PRO 106 HA -0.55 0.22 0.66 -0.51 4.44 4.26 2f28A1 PRO 106 HB2 -0.11 0.04 0.10 -0.04 2.28 2.27 2f28A1 PRO 106 HB3 -0.22 0.01 0.18 -0.04 2.02 1.94 2f28A1 PRO 106 HG2 -0.06 -0.05 0.14 -0.04 2.03 2.03 2f28A1 PRO 106 HG3 -0.38 0.03 0.11 -0.04 2.03 1.75 2f28A1 PRO 106 HD2 -0.02 0.05 0.19 -0.04 3.68 3.86 2f28A1 PRO 106 HD3 0.09 0.35 0.28 -0.04 3.65 4.32 2f28A1 GLY 107 H -0.14 0.50 0.31 -0.55 8.43 8.56 2f28A1 GLY 107 HA2 -0.04 0.10 0.43 -0.51 4.01 3.99 2f28A1 GLY 107 HA3 -0.04 -0.02 0.29 -0.51 4.01 3.72 2f28A1 GLN 108 H -0.08 0.13 -0.17 -0.55 8.47 7.80 2f28A1 GLN 108 HA -0.03 0.18 0.81 -0.75 4.36 4.57 2f28A1 GLN 108 HB2 -0.04 -0.03 -0.04 -0.04 2.15 2.00 2f28A1 GLN 108 HB3 -0.03 0.00 0.04 -0.04 2.02 1.99 2f28A1 GLN 108 HG2 -0.03 0.10 -0.09 -0.04 2.40 2.34 2f28A1 GLN 108 HG3 -0.03 -0.08 -0.38 -0.04 2.39 1.86 2f28A1 GLN 108 HE21 -0.01 -0.04 -0.02 -0.04 6.97 6.86 2f28A1 GLN 108 HE22 -0.02 0.03 -0.02 -0.04 7.69 7.65 2f28A1 VAL 109 H -0.03 0.11 0.09 -0.55 8.24 7.86 2f28A1 VAL 109 HA -0.02 0.06 0.37 -0.75 4.13 3.79 2f28A1 VAL 109 HB -0.02 -0.05 0.07 -0.04 2.12 2.08 2f28A1 VAL 109 HG13 -0.01 0.04 -0.17 -0.04 0.97 0.79 2f28A1 VAL 109 HG23 -0.02 0.02 0.04 -0.04 0.95 0.95 2f28A1 THR 110 H -0.01 0.12 0.22 -0.55 8.28 8.06 2f28A1 THR 110 HA -0.01 0.20 0.69 -0.75 4.39 4.51 2f28A1 THR 110 HB 0.01 -0.10 0.12 -0.04 4.32 4.30 2f28A1 THR 110 HG23 0.01 -0.04 0.12 -0.04 1.22 1.27 2f28A1 GLU 111 H 0.00 0.20 0.17 -0.55 8.60 8.42 2f28A1 GLU 111 HA 0.00 0.12 0.37 -0.75 4.29 4.03 2f28A1 GLU 111 HB2 0.01 -0.03 0.12 -0.04 2.09 2.15 2f28A1 GLU 111 HB3 0.01 0.05 0.02 -0.04 1.99 2.02 2f28A1 GLU 111 HG2 0.00 0.04 0.06 -0.04 2.34 2.40 2f28A1 GLU 111 HG3 0.00 -0.00 0.12 -0.04 2.34 2.42 2f28A1 GLN 112 H 0.01 0.08 -0.18 -0.55 8.47 7.84 2f28A1 GLN 112 HA 0.02 0.07 0.38 -0.75 4.36 4.07 2f28A1 GLN 112 HB2 0.03 -0.01 0.08 -0.04 2.15 2.20 2f28A1 GLN 112 HB3 0.03 -0.02 0.04 -0.04 2.02 2.03 2f28A1 GLN 112 HG2 0.03 0.08 -0.24 -0.04 2.40 2.24 2f28A1 GLN 112 HG3 0.03 -0.02 0.02 -0.04 2.39 2.37 2f28A1 GLN 112 HE21 0.07 0.03 -0.01 -0.04 6.97 7.02 2f28A1 GLN 112 HE22 0.04 -0.03 -0.01 -0.04 7.69 7.65 2f28A1 GLN 113 H 0.01 0.04 -0.29 -0.55 8.47 7.68 2f28A1 GLN 113 HA 0.01 0.42 0.41 -0.75 4.36 4.45 2f28A1 GLN 113 HB2 -0.00 -0.04 0.12 -0.04 2.15 2.19 2f28A1 GLN 113 HB3 -0.00 0.05 -0.00 -0.04 2.02 2.03 2f28A1 GLN 113 HG2 0.01 0.24 0.05 -0.04 2.40 2.66 2f28A1 GLN 113 HG3 0.01 -0.14 0.02 -0.04 2.39 2.24 2f28A1 GLN 113 HE21 -0.01 -0.00 0.01 -0.04 6.97 6.92 2f28A1 GLN 113 HE22 -0.00 0.19 0.05 -0.04 7.69 7.89 2f28A1 GLN 114 H 0.00 0.34 -0.33 -0.55 8.47 7.94 2f28A1 GLN 114 HA -0.00 0.01 0.30 -0.75 4.36 3.92 2f28A1 GLN 114 HB2 0.00 0.21 0.14 -0.04 2.15 2.46 2f28A1 GLN 114 HB3 -0.00 -0.06 0.00 -0.04 2.02 1.92 2f28A1 GLN 114 HG2 -0.00 0.22 -0.22 -0.04 2.40 2.36 2f28A1 GLN 114 HG3 -0.00 -0.09 -0.09 -0.04 2.39 2.16 2f28A1 GLN 114 HE21 -0.01 -0.02 -0.04 -0.04 6.97 6.86 2f28A1 GLN 114 HE22 -0.00 -0.03 -0.06 -0.04 7.69 7.55 2f28A1 LEU 115 H 0.01 0.28 -0.40 -0.55 8.37 7.71 2f28A1 LEU 115 HA 0.00 0.11 0.76 -0.75 4.35 4.47 2f28A1 LEU 115 HB2 0.01 0.07 0.09 -0.04 1.64 1.77 2f28A1 LEU 115 HB3 0.01 -0.06 0.04 -0.04 1.64 1.59 2f28A1 LEU 115 HG 0.01 0.04 -0.07 -0.04 1.64 1.58 2f28A1 LEU 115 HD13 0.01 -0.03 -0.03 -0.04 0.93 0.84 2f28A1 LEU 115 HD23 0.00 0.00 -0.04 -0.04 0.89 0.82 2f28A1 GLU 116 H 0.01 0.53 -0.01 -0.55 8.60 8.59 2f28A1 GLU 116 HA 0.01 0.11 0.89 -0.75 4.29 4.55 2f28A1 GLU 116 HB2 0.02 0.03 0.18 -0.04 2.09 2.27 2f28A1 GLU 116 HB3 0.01 -0.04 0.05 -0.04 1.99 1.97 2f28A1 GLU 116 HG2 0.01 0.05 -0.08 -0.04 2.34 2.28 2f28A1 GLU 116 HG3 0.01 -0.05 -0.20 -0.04 2.34 2.06 2f28A1 THR 117 H 0.01 0.16 0.01 -0.55 8.28 7.91 2f28A1 THR 117 HA -0.00 0.18 0.40 -0.75 4.39 4.21 2f28A1 THR 117 HB 0.00 -0.03 0.09 -0.04 4.32 4.33 2f28A1 THR 117 HG23 -0.01 -0.00 -0.05 -0.04 1.22 1.12 2f28A1 ARG 118 H 0.01 0.02 -0.24 -0.55 8.46 7.71 2f28A1 ARG 118 HA 0.01 0.23 0.80 -0.75 4.34 4.63 2f28A1 ARG 118 HB2 0.02 -0.02 0.01 -0.04 1.90 1.87 2f28A1 ARG 118 HB3 0.03 0.01 0.13 -0.04 1.80 1.92 2f28A1 ARG 118 HG2 0.00 0.03 -0.06 -0.04 1.67 1.60 2f28A1 ARG 118 HG3 0.01 -0.11 -0.10 -0.04 1.67 1.43 2f28A1 ARG 118 HD2 0.03 0.02 -0.02 -0.04 3.22 3.21 2f28A1 ARG 118 HD3 0.03 -0.01 -0.01 -0.04 3.22 3.20 2f28A1 ALA 119 H 0.01 0.43 -0.38 -0.55 8.40 7.91 2f28A1 ALA 119 HA 0.02 0.02 0.41 -0.75 4.34 4.03 2f28A1 ALA 119 HB3 0.03 -0.03 -0.02 -0.04 1.41 1.34 2f28A1 ASN 120 H -0.02 0.10 0.21 -0.55 8.53 8.27 2f28A1 ASN 120 HA 0.00 0.27 0.59 -0.75 4.76 4.87 2f28A1 ASN 120 HB2 -0.18 0.51 0.18 -0.04 2.88 3.34 2f28A1 ASN 120 HB3 -0.57 -0.14 0.10 -0.04 2.79 2.14 2f28A1 ASN 120 HD21 0.11 -0.14 -0.15 -0.04 7.03 6.82 2f28A1 ASN 120 HD22 -0.70 0.51 0.06 -0.04 7.74 7.56 2f28A1 VAL 121 H 0.07 0.23 0.24 -0.55 8.24 8.23 2f28A1 VAL 121 HA 0.22 0.14 0.79 -0.75 4.13 4.52 2f28A1 VAL 121 HB 0.07 -0.01 -0.12 -0.04 2.12 2.02 2f28A1 VAL 121 HG13 0.03 0.02 0.01 -0.04 0.97 1.00 2f28A1 VAL 121 HG23 0.09 -0.03 0.15 -0.04 0.95 1.12 2f28A1 THR 122 H 0.16 0.06 0.07 -0.55 8.28 8.02 2f28A1 THR 122 HA 0.06 0.24 0.77 -0.75 4.39 4.71 2f28A1 THR 122 HB -0.11 -0.06 0.08 -0.04 4.32 4.19 2f28A1 THR 122 HG23 -0.57 0.05 -0.06 -0.04 1.22 0.59 2f28A1 ARG 123 H 0.04 0.64 0.39 -0.55 8.46 8.98 2f28A1 ARG 123 HA 0.22 0.11 0.98 -0.75 4.34 4.90 2f28A1 ARG 123 HB2 -0.03 0.03 0.11 -0.04 1.90 1.97 2f28A1 ARG 123 HB3 -0.04 -0.08 -0.05 -0.04 1.80 1.59 2f28A1 ARG 123 HG2 0.13 0.11 -0.39 -0.04 1.67 1.48 2f28A1 ARG 123 HG3 -0.06 0.00 -0.08 -0.04 1.67 1.50 2f28A1 ARG 123 HD2 -0.03 -0.02 -0.06 -0.04 3.22 3.06 2f28A1 ARG 123 HD3 -0.04 -0.11 -0.01 -0.04 3.22 3.01 2f28A1 LEU 124 H 0.14 0.05 0.17 -0.55 8.37 8.19 2f28A1 LEU 124 HA 0.01 0.28 0.85 -0.75 4.35 4.74 2f28A1 LEU 124 HB2 0.31 0.07 -0.05 -0.04 1.64 1.93 2f28A1 LEU 124 HB3 -0.06 -0.18 0.04 -0.04 1.64 1.40 2f28A1 LEU 124 HG -0.25 -0.03 -0.28 -0.04 1.64 1.03 2f28A1 LEU 124 HD13 -0.07 0.05 -0.02 -0.04 0.93 0.85 2f28A1 LEU 124 HD23 -0.81 0.00 -0.18 -0.04 0.89 -0.14 2f28A1 CYS 125 H -0.38 0.83 0.39 -0.55 8.50 8.78 2f28A1 CYS 125 HA -0.26 0.16 1.15 -0.75 4.58 4.88 2f28A1 CYS 125 HB2 -2.04 0.06 -0.18 -0.04 2.97 0.77 2f28A1 CYS 125 HB3 -0.61 -0.04 -0.03 -0.04 2.97 2.25 2f28A1 GLN 126 H -0.17 0.34 0.32 -0.55 8.47 8.41 2f28A1 GLN 126 HA -0.06 0.37 0.73 -0.75 4.36 4.65 2f28A1 GLN 126 HB2 -0.23 -0.02 -0.03 -0.04 2.15 1.83 2f28A1 GLN 126 HB3 -0.02 0.04 -0.21 -0.04 2.02 1.79 2f28A1 GLN 126 HG2 0.06 0.02 -0.06 -0.04 2.40 2.38 2f28A1 GLN 126 HG3 0.05 -0.05 -0.25 -0.04 2.39 2.10 2f28A1 GLN 126 HE21 0.30 0.03 -0.13 -0.04 6.97 7.13 2f28A1 GLN 126 HE22 0.10 -0.05 -0.18 -0.04 7.69 7.52 2f28A1 VAL 127 H 0.07 0.54 0.29 -0.55 8.24 8.60 2f28A1 VAL 127 HA 0.14 0.21 0.63 -0.75 4.13 4.36 2f28A1 VAL 127 HB 0.29 -0.01 -0.06 -0.04 2.12 2.30 2f28A1 VAL 127 HG13 0.20 -0.01 -0.44 -0.04 0.97 0.67 2f28A1 VAL 127 HG23 -0.13 0.01 -0.10 -0.04 0.95 0.69 2f28A1 THR 128 H 0.14 0.14 0.18 -0.55 8.28 8.20 2f28A1 THR 128 HA 0.09 0.38 1.14 -0.75 4.39 5.24 2f28A1 THR 128 HB -0.33 0.01 0.07 -0.04 4.32 4.02 2f28A1 THR 128 HG23 -0.54 0.01 -0.18 -0.04 1.22 0.47 2f28A1 SER 129 H -0.22 0.56 0.36 -0.55 8.46 8.62 2f28A1 SER 129 HA -0.36 0.19 0.94 -0.75 4.49 4.51 2f28A1 SER 129 HB2 -1.87 0.19 -0.11 -0.04 3.95 2.12 2f28A1 SER 129 HB3 -0.93 -0.00 0.08 -0.04 3.93 3.03 2f28A1 THR 130 H -0.25 0.23 0.15 -0.55 8.28 7.86 2f28A1 THR 130 HA -0.19 0.25 0.94 -0.75 4.39 4.63 2f28A1 THR 130 HB -0.13 0.07 0.16 -0.04 4.32 4.37 2f28A1 THR 130 HG23 -0.12 0.01 -0.12 -0.04 1.22 0.94 2f28A1 ASP 131 H -0.33 -0.01 -0.04 -0.55 8.40 7.48 2f28A1 ASP 131 HA -0.45 0.34 0.88 -0.75 4.63 4.65 2f28A1 ASP 131 HB2 -0.15 0.08 0.18 -0.04 2.71 2.78 2f28A1 ASP 131 HB3 -0.17 0.09 -0.04 -0.04 2.70 2.53 2f28A1 HIS 132 H -0.39 0.24 -0.22 -0.55 8.41 7.50 2f28A1 HIS 132 HA -0.05 0.10 0.23 -0.75 4.63 4.15 2f28A1 HIS 132 HB2 -0.07 0.17 0.02 -0.04 3.26 3.34 2f28A1 HIS 132 HB3 -0.06 -0.00 0.10 -0.04 3.20 3.20 2f28A1 HIS 132 HD2 -0.05 0.05 -0.18 -0.04 6.97 6.74 2f28A1 HIS 132 HE1 0.00 0.04 -0.04 -0.04 7.75 7.71 2f28A1 GLY 133 H -0.39 -0.10 -0.32 -0.55 8.43 7.07 2f28A1 GLY 133 HA2 -1.08 0.01 0.11 -0.51 4.01 2.54 2f28A1 GLY 133 HA3 -0.00 0.18 0.40 -0.51 4.01 4.08 2f28A1 ARG 134 H -0.20 0.19 -0.34 -0.55 8.46 7.56 2f28A1 ARG 134 HA 0.01 0.13 0.46 -0.75 4.34 4.19 2f28A1 ARG 134 HB2 -0.09 -0.06 0.10 -0.04 1.90 1.80 2f28A1 ARG 134 HB3 -0.03 -0.02 -0.01 -0.04 1.80 1.70 2f28A1 ARG 134 HG2 0.01 -0.01 -0.04 -0.04 1.67 1.59 2f28A1 ARG 134 HG3 -0.00 0.14 -0.04 -0.04 1.67 1.73 2f28A1 ARG 134 HD2 -0.01 -0.00 0.02 -0.04 3.22 3.20 2f28A1 ARG 134 HD3 -0.00 -0.04 -0.01 -0.04 3.22 3.12 2f28A1 THR 135 H -0.33 0.00 -0.02 -0.55 8.28 7.38 2f28A1 THR 135 HA 0.02 0.24 0.79 -0.75 4.39 4.69 2f28A1 THR 135 HB -0.02 0.07 0.03 -0.04 4.32 4.36 2f28A1 THR 135 HG23 -0.03 0.01 -0.20 -0.04 1.22 0.97 2f28A1 TRP 136 H 0.23 0.21 0.11 -0.55 7.97 7.97 2f28A1 TRP 136 HA -0.00 0.26 1.01 -0.75 4.62 5.14 2f28A1 TRP 136 HB2 0.02 -0.05 -0.05 -0.04 3.23 3.11 2f28A1 TRP 136 HB3 0.02 0.03 -0.07 -0.04 3.23 3.17 2f28A1 TRP 136 HD1 0.04 -0.01 -0.24 -0.04 7.22 6.97 2f28A1 TRP 136 HE1 0.10 0.22 -0.25 -0.04 10.20 10.23 2f28A1 TRP 136 HE3 0.01 -0.03 -0.60 -0.04 7.59 6.93 2f28A1 TRP 136 HZ2 0.28 0.08 -0.14 -0.04 7.44 7.61 2f28A1 TRP 136 HZ3 0.04 0.03 -0.40 -0.04 7.13 6.76 2f28A1 TRP 136 HH2 0.28 0.01 -0.24 -0.04 7.19 7.20 2f28A1 SER 137 H 0.19 0.45 0.30 -0.55 8.46 8.86 2f28A1 SER 137 HA 0.06 0.04 0.50 -0.75 4.49 4.34 2f28A1 SER 137 HB2 0.04 -0.02 0.17 -0.04 3.95 4.10 2f28A1 SER 137 HB3 0.02 -0.01 0.15 -0.04 3.93 4.05 2f28A1 SER 138 H 0.06 0.03 0.17 -0.55 8.46 8.17 2f28A1 SER 138 HA 0.07 0.11 0.51 -0.75 4.49 4.43 2f28A1 SER 138 HB2 0.04 -0.04 0.08 -0.04 3.95 3.99 2f28A1 SER 138 HB3 0.04 0.09 0.13 -0.04 3.93 4.15 2f28A1 PRO 139 HA 0.12 0.22 0.58 -0.51 4.44 4.84 2f28A1 PRO 139 HB2 0.12 -0.09 -0.09 -0.04 2.28 2.18 2f28A1 PRO 139 HB3 0.25 0.10 0.12 -0.04 2.02 2.45 2f28A1 PRO 139 HG2 0.06 -0.11 0.14 -0.04 2.03 2.07 2f28A1 PRO 139 HG3 0.09 0.32 0.21 -0.04 2.03 2.61 2f28A1 PRO 139 HD2 0.06 -0.05 0.31 -0.04 3.68 3.95 2f28A1 PRO 139 HD3 0.08 0.34 0.36 -0.04 3.65 4.38 2f28A1 ARG 140 H 0.03 0.65 0.37 -0.55 8.46 8.95 2f28A1 ARG 140 HA 0.01 0.12 0.88 -0.75 4.34 4.60 2f28A1 ARG 140 HB2 0.05 0.03 -0.02 -0.04 1.90 1.92 2f28A1 ARG 140 HB3 0.05 0.01 0.12 -0.04 1.80 1.94 2f28A1 ARG 140 HG2 0.04 -0.04 -0.45 -0.04 1.67 1.18 2f28A1 ARG 140 HG3 0.04 -0.01 -0.06 -0.04 1.67 1.61 2f28A1 ARG 140 HD2 0.09 -0.02 -0.07 -0.04 3.22 3.18 2f28A1 ARG 140 HD3 0.14 -0.02 -0.10 -0.04 3.22 3.20 2f28A1 ASP 141 H -0.02 0.19 0.10 -0.55 8.40 8.12 2f28A1 ASP 141 HA -0.11 0.18 0.73 -0.75 4.63 4.68 2f28A1 ASP 141 HB2 -0.06 0.05 0.07 -0.04 2.71 2.73 2f28A1 ASP 141 HB3 -0.05 -0.02 0.20 -0.04 2.70 2.79 2f28A1 LEU 142 H -0.11 0.65 0.35 -0.55 8.37 8.71 2f28A1 LEU 142 HA -0.04 0.13 0.62 -0.75 4.35 4.30 2f28A1 LEU 142 HB2 -0.27 0.05 -0.14 -0.04 1.64 1.24 2f28A1 LEU 142 HB3 -0.28 -0.05 -0.01 -0.04 1.64 1.26 2f28A1 LEU 142 HG -0.04 0.12 -0.16 -0.04 1.64 1.52 2f28A1 LEU 142 HD13 -0.07 0.00 -0.20 -0.04 0.93 0.61 2f28A1 LEU 142 HD23 0.17 0.00 -0.19 -0.04 0.89 0.83 2f28A1 THR 143 H -0.09 0.21 -0.04 -0.55 8.28 7.81 2f28A1 THR 143 HA -0.10 0.07 0.33 -0.75 4.39 3.93 2f28A1 THR 143 HB -0.16 -0.05 0.11 -0.04 4.32 4.18 2f28A1 THR 143 HG23 -0.20 0.05 -0.06 -0.04 1.22 0.96 2f28A1 ASP 144 H -0.13 0.14 -0.08 -0.55 8.40 7.79 2f28A1 ASP 144 HA -0.16 0.07 0.45 -0.75 4.63 4.23 2f28A1 ASP 144 HB2 -0.08 0.00 0.08 -0.04 2.71 2.67 2f28A1 ASP 144 HB3 -0.07 0.04 -0.02 -0.04 2.70 2.60 2f28A1 ALA 145 H -0.04 0.11 -0.22 -0.55 8.40 7.70 2f28A1 ALA 145 HA 0.02 0.06 0.43 -0.75 4.34 4.09 2f28A1 ALA 145 HB3 0.08 0.01 0.06 -0.04 1.41 1.51 2f28A1 ALA 146 H -0.10 0.49 -0.17 -0.55 8.40 8.07 2f28A1 ALA 146 HA 0.11 0.13 0.62 -0.75 4.34 4.45 2f28A1 ALA 146 HB3 -0.62 -0.02 -0.10 -0.04 1.41 0.62 2f28A1 ILE 147 H -0.08 0.51 0.05 -0.55 8.25 8.18 2f28A1 ILE 147 HA 0.09 0.18 0.79 -0.75 4.18 4.49 2f28A1 ILE 147 HB -0.13 0.08 0.08 -0.04 1.89 1.88 2f28A1 ILE 147 HG12 0.34 0.04 -0.18 -0.04 1.49 1.65 2f28A1 ILE 147 HG13 -0.03 -0.09 -0.18 -0.04 1.21 0.88 2f28A1 ILE 147 HG23 -0.63 -0.03 -0.22 -0.04 0.93 0.02 2f28A1 ILE 147 HD13 -0.42 -0.02 -0.11 -0.04 0.88 0.29 2f28A1 GLY 148 H -0.09 0.26 0.12 -0.55 8.43 8.16 2f28A1 GLY 148 HA2 -0.07 0.11 0.38 -0.51 4.01 3.91 2f28A1 GLY 148 HA3 -0.07 0.11 0.46 -0.51 4.01 4.00 2f28A1 PRO 149 HA -0.07 0.05 0.43 -0.51 4.44 4.33 2f28A1 PRO 149 HB2 -0.06 0.04 0.03 -0.04 2.28 2.25 2f28A1 PRO 149 HB3 -0.05 0.00 0.13 -0.04 2.02 2.07 2f28A1 PRO 149 HG2 -0.07 0.07 0.06 -0.04 2.03 2.05 2f28A1 PRO 149 HG3 -0.04 0.03 0.08 -0.04 2.03 2.06 2f28A1 PRO 149 HD2 -0.06 0.21 0.27 -0.04 3.68 4.05 2f28A1 PRO 149 HD3 -0.05 0.10 0.20 -0.04 3.65 3.86 2f28A1 ALA 150 H -0.20 0.31 -0.38 -0.55 8.40 7.58 2f28A1 ALA 150 HA -0.24 0.06 0.39 -0.75 4.34 3.79 2f28A1 ALA 150 HB3 -0.33 0.05 0.00 -0.04 1.41 1.08 2f28A1 TYR 151 H -0.28 0.42 -0.48 -0.55 8.29 7.39 2f28A1 TYR 151 HA -0.86 0.03 0.23 -0.75 4.56 3.21 2f28A1 TYR 151 HB2 -0.30 0.10 0.02 -0.04 3.06 2.84 2f28A1 TYR 151 HB3 -0.20 -0.04 0.00 -0.04 2.98 2.70 2f28A1 TYR 151 HD2 -0.12 -0.03 -0.13 -0.04 7.15 6.83 2f28A1 TYR 151 HE2 0.23 0.14 -0.04 -0.04 6.85 7.13 2f28A1 ARG 152 H -0.10 0.22 -0.24 -0.55 8.46 7.79 2f28A1 ARG 152 HA -0.11 0.11 0.52 -0.75 4.34 4.10 2f28A1 ARG 152 HB2 -0.02 -0.01 0.12 -0.04 1.90 1.95 2f28A1 ARG 152 HB3 0.03 -0.06 0.09 -0.04 1.80 1.82 2f28A1 ARG 152 HG2 -0.07 0.18 0.07 -0.04 1.67 1.81 2f28A1 ARG 152 HG3 -0.05 0.01 -0.10 -0.04 1.67 1.49 2f28A1 ARG 152 HD2 -0.01 -0.04 0.01 -0.04 3.22 3.14 2f28A1 ARG 152 HD3 0.00 -0.06 0.03 -0.04 3.22 3.15 2f28A1 GLU 153 H -0.33 0.54 -0.45 -0.55 8.60 7.81 2f28A1 GLU 153 HA 0.02 0.11 0.61 -0.75 4.29 4.28 2f28A1 GLU 153 HB2 -0.11 0.15 0.07 -0.04 2.09 2.16 2f28A1 GLU 153 HB3 0.11 -0.08 0.10 -0.04 1.99 2.09 2f28A1 GLU 153 HG2 -0.02 -0.02 -0.04 -0.04 2.34 2.23 2f28A1 GLU 153 HG3 -0.12 -0.00 -0.01 -0.04 2.34 2.17 2f28A1 TRP 154 H -0.09 0.38 -0.23 -0.55 7.97 7.48 2f28A1 TRP 154 HA 0.02 0.09 1.13 -0.75 4.62 5.11 2f28A1 TRP 154 HB2 -0.00 0.00 -0.06 -0.04 3.23 3.13 2f28A1 TRP 154 HB3 0.11 0.07 0.11 -0.04 3.23 3.48 2f28A1 TRP 154 HD1 0.01 0.08 -0.67 -0.04 7.22 6.60 2f28A1 TRP 154 HE1 0.15 -0.04 -0.14 -0.04 10.20 10.14 2f28A1 TRP 154 HE3 -0.02 -0.01 -0.20 -0.04 7.59 7.32 2f28A1 TRP 154 HZ2 -0.34 0.01 -0.13 -0.04 7.44 6.94 2f28A1 TRP 154 HZ3 -0.62 -0.04 -0.18 -0.04 7.13 6.25 2f28A1 TRP 154 HH2 -0.39 0.02 -0.16 -0.04 7.19 6.62 2f28A1 SER 155 H 0.26 0.44 0.30 -0.55 8.46 8.91 2f28A1 SER 155 HA 0.08 0.40 0.69 -0.75 4.49 4.91 2f28A1 SER 155 HB2 0.03 -0.01 0.06 -0.04 3.95 3.99 2f28A1 SER 155 HB3 0.08 -0.01 0.05 -0.04 3.93 4.01 2f28A1 THR 156 H 0.30 0.27 0.24 -0.55 8.28 8.54 2f28A1 THR 156 HA 0.18 0.01 0.37 -0.75 4.39 4.20 2f28A1 THR 156 HB 0.02 0.24 0.00 -0.04 4.32 4.54 2f28A1 THR 156 HG23 0.07 -0.02 -0.24 -0.04 1.22 0.99 2f28A1 PHE 157 H -0.23 0.35 0.22 -0.55 8.34 8.12 2f28A1 PHE 157 HA -0.13 0.09 0.63 -0.75 4.62 4.46 2f28A1 PHE 157 HB2 -0.02 0.17 0.15 -0.04 3.15 3.40 2f28A1 PHE 157 HB3 0.12 0.03 -0.14 -0.04 3.06 3.02 2f28A1 PHE 157 HD2 0.31 0.03 -0.34 -0.04 7.28 7.23 2f28A1 PHE 157 HE2 0.28 0.06 -0.22 -0.04 7.38 7.46 2f28A1 PHE 157 HZ 0.20 -0.15 -0.32 -0.04 7.32 7.01 2f28A1 ALA 158 H -0.25 0.64 0.35 -0.55 8.40 8.60 2f28A1 ALA 158 HA -0.15 0.05 0.50 -0.75 4.34 3.98 2f28A1 ALA 158 HB3 -0.31 0.04 -0.11 -0.04 1.41 0.99 2f28A1 VAL 159 H 0.01 0.21 0.12 -0.55 8.24 8.03 2f28A1 VAL 159 HA -0.02 0.20 1.06 -0.75 4.13 4.61 2f28A1 VAL 159 HB -0.02 0.08 0.04 -0.04 2.12 2.18 2f28A1 VAL 159 HG13 0.09 -0.03 -0.17 -0.04 0.97 0.81 2f28A1 VAL 159 HG23 0.06 -0.01 -0.13 -0.04 0.95 0.83 2f28A1 GLY 160 H -0.01 0.55 0.16 -0.55 8.43 8.58 2f28A1 GLY 160 HA2 0.02 0.17 0.33 -0.51 4.01 4.03 2f28A1 GLY 160 HA3 0.07 -0.02 0.32 -0.51 4.01 3.86 2f28A1 PRO 161 HA 0.11 0.20 0.33 -0.51 4.44 4.56 2f28A1 PRO 161 HB2 0.17 0.10 0.01 -0.04 2.28 2.52 2f28A1 PRO 161 HB3 0.16 -0.09 0.13 -0.04 2.02 2.18 2f28A1 PRO 161 HG2 0.17 0.06 0.01 -0.04 2.03 2.24 2f28A1 PRO 161 HG3 0.37 -0.10 0.09 -0.04 2.03 2.35 2f28A1 PRO 161 HD2 0.09 0.04 0.26 -0.04 3.68 4.03 2f28A1 PRO 161 HD3 0.23 0.02 0.26 -0.04 3.65 4.11 2f28A1 GLY 162 H 0.13 0.44 0.22 -0.55 8.43 8.68 2f28A1 GLY 162 HA2 0.21 -0.13 0.57 -0.51 4.01 4.15 2f28A1 GLY 162 HA3 0.16 0.19 0.90 -0.51 4.01 4.75 2f28A1 HIS 163 H 0.42 -0.01 0.35 -0.55 8.41 8.63 2f28A1 HIS 163 HA 0.20 0.11 0.56 -0.75 4.63 4.73 2f28A1 HIS 163 HB2 0.22 0.01 0.35 -0.04 3.26 3.80 2f28A1 HIS 163 HB3 0.22 0.09 0.41 -0.04 3.20 3.88 2f28A1 HIS 163 HD2 0.19 0.15 0.13 -0.04 6.97 7.39 2f28A1 HIS 163 HE1 0.16 -0.11 0.19 -0.04 7.75 7.94 2f28A1 CYS 164 H 0.25 0.41 0.29 -0.55 8.50 8.89 2f28A1 CYS 164 HA -0.02 0.21 1.08 -0.75 4.58 5.09 2f28A1 CYS 164 HB2 0.12 -0.05 0.27 -0.04 2.97 3.27 2f28A1 CYS 164 HB3 0.04 -0.01 0.28 -0.04 2.97 3.23 2f28A1 LEU 165 H 0.10 0.62 0.43 -0.55 8.37 8.97 2f28A1 LEU 165 HA 0.20 0.19 1.15 -0.75 4.35 5.14 2f28A1 LEU 165 HB2 0.13 0.22 -0.06 -0.04 1.64 1.90 2f28A1 LEU 165 HB3 0.10 0.04 0.14 -0.04 1.64 1.87 2f28A1 LEU 165 HG 0.11 -0.09 -0.45 -0.04 1.64 1.17 2f28A1 LEU 165 HD13 0.15 -0.01 0.04 -0.04 0.93 1.07 2f28A1 LEU 165 HD23 0.11 -0.02 -0.36 -0.04 0.89 0.58 2f28A1 GLN 166 H 0.16 0.27 0.27 -0.55 8.47 8.62 2f28A1 GLN 166 HA 0.08 0.31 1.06 -0.75 4.36 5.05 2f28A1 GLN 166 HB2 0.12 -0.02 0.07 -0.04 2.15 2.28 2f28A1 GLN 166 HB3 0.14 -0.03 0.23 -0.04 2.02 2.32 2f28A1 GLN 166 HG2 0.08 0.11 -0.13 -0.04 2.40 2.41 2f28A1 GLN 166 HG3 0.05 0.20 -0.08 -0.04 2.39 2.52 2f28A1 GLN 166 HE21 0.12 -0.31 0.13 -0.04 6.97 6.87 2f28A1 GLN 166 HE22 0.05 0.49 0.11 -0.04 7.69 8.30 2f28A1 LEU 167 H 0.05 0.60 0.14 -0.55 8.37 8.61 2f28A1 LEU 167 HA 0.07 0.14 0.53 -0.75 4.35 4.34 2f28A1 LEU 167 HB2 0.04 -0.18 0.06 -0.04 1.64 1.52 2f28A1 LEU 167 HB3 0.05 -0.07 0.08 -0.04 1.64 1.66 2f28A1 LEU 167 HG 0.05 0.15 -0.12 -0.04 1.64 1.67 2f28A1 LEU 167 HD13 0.05 -0.01 -0.08 -0.04 0.93 0.85 2f28A1 LEU 167 HD23 0.07 0.02 -0.19 -0.04 0.89 0.74 2f28A1 ASN 168 H 0.05 0.14 0.09 -0.55 8.53 8.27 2f28A1 ASN 168 HA 0.05 0.26 0.82 -0.75 4.76 5.13 2f28A1 ASN 168 HB2 0.05 -0.02 0.11 -0.04 2.88 2.98 2f28A1 ASN 168 HB3 0.04 -0.00 0.19 -0.04 2.79 2.98 2f28A1 ASN 168 HD21 0.05 0.01 0.03 -0.04 7.03 7.09 2f28A1 ASN 168 HD22 0.04 -0.03 0.06 -0.04 7.74 7.77 2f28A1 ASP 169 H 0.03 -0.04 -0.42 -0.55 8.40 7.42 2f28A1 ASP 169 HA 0.01 0.21 0.62 -0.75 4.63 4.71 2f28A1 ASP 169 HB2 -0.01 -0.04 0.15 -0.04 2.71 2.78 2f28A1 ASP 169 HB3 0.01 0.08 0.06 -0.04 2.70 2.81 2f28A1 ARG 170 H -0.01 0.14 0.14 -0.55 8.46 8.18 2f28A1 ARG 170 HA 0.01 0.15 0.37 -0.75 4.34 4.12 2f28A1 ARG 170 HB2 -0.01 0.02 0.15 -0.04 1.90 2.02 2f28A1 ARG 170 HB3 -0.03 -0.07 0.12 -0.04 1.80 1.78 2f28A1 ARG 170 HG2 -0.02 -0.01 -0.00 -0.04 1.67 1.60 2f28A1 ARG 170 HG3 -0.01 0.04 -0.15 -0.04 1.67 1.51 2f28A1 ARG 170 HD2 0.01 0.04 0.08 -0.04 3.22 3.31 2f28A1 ARG 170 HD3 -0.00 -0.00 0.04 -0.04 3.22 3.21 2f28A1 ALA 171 H -0.03 -0.03 -0.17 -0.55 8.40 7.62 2f28A1 ALA 171 HA -0.01 0.18 0.49 -0.75 4.34 4.24 2f28A1 ALA 171 HB3 -0.06 0.05 0.10 -0.04 1.41 1.46 2f28A1 ARG 172 H 0.01 0.19 -0.54 -0.55 8.46 7.56 2f28A1 ARG 172 HA 0.03 0.25 0.28 -0.75 4.34 4.15 2f28A1 ARG 172 HB2 0.09 0.12 0.11 -0.04 1.90 2.18 2f28A1 ARG 172 HB3 0.07 -0.09 0.21 -0.04 1.80 1.94 2f28A1 ARG 172 HG2 0.06 0.11 -0.23 -0.04 1.67 1.57 2f28A1 ARG 172 HG3 0.08 -0.11 -0.03 -0.04 1.67 1.57 2f28A1 ARG 172 HD2 0.04 0.12 0.03 -0.04 3.22 3.37 2f28A1 ARG 172 HD3 0.05 -0.02 -0.03 -0.04 3.22 3.17 2f28A1 SER 173 H 0.01 -0.13 -0.12 -0.55 8.46 7.68 2f28A1 SER 173 HA -0.13 0.11 0.45 -0.75 4.49 4.18 2f28A1 SER 173 HB2 0.22 -0.10 0.04 -0.04 3.95 4.07 2f28A1 SER 173 HB3 0.06 -0.12 0.01 -0.04 3.93 3.84 2f28A1 LEU 174 H -0.20 0.58 0.42 -0.55 8.37 8.63 2f28A1 LEU 174 HA 0.02 0.28 1.03 -0.75 4.35 4.93 2f28A1 LEU 174 HB2 -0.18 -0.12 0.14 -0.04 1.64 1.44 2f28A1 LEU 174 HB3 0.08 0.09 0.01 -0.04 1.64 1.78 2f28A1 LEU 174 HG -0.25 -0.13 0.05 -0.04 1.64 1.26 2f28A1 LEU 174 HD13 -0.39 -0.00 -0.18 -0.04 0.93 0.32 2f28A1 LEU 174 HD23 -0.03 0.03 -0.09 -0.04 0.89 0.76 2f28A1 VAL 175 H 0.09 0.90 0.38 -0.55 8.24 9.06 2f28A1 VAL 175 HA 0.14 0.33 1.12 -0.75 4.13 4.97 2f28A1 VAL 175 HB 0.08 -0.06 0.07 -0.04 2.12 2.17 2f28A1 VAL 175 HG13 0.09 0.01 -0.19 -0.04 0.97 0.83 2f28A1 VAL 175 HG23 0.05 -0.02 -0.26 -0.04 0.95 0.68 2f28A1 VAL 176 H 0.13 0.60 0.28 -0.55 8.24 8.70 2f28A1 VAL 176 HA -0.06 0.20 1.06 -0.75 4.13 4.58 2f28A1 VAL 176 HB -0.19 -0.08 0.15 -0.04 2.12 1.96 2f28A1 VAL 176 HG13 -0.30 0.05 -0.07 -0.04 0.97 0.61 2f28A1 VAL 176 HG23 -0.70 -0.01 -0.15 -0.04 0.95 0.05 2f28A1 PRO 177 HA -0.15 0.11 0.62 -0.51 4.44 4.51 2f28A1 PRO 177 HB2 -0.07 0.25 -0.06 -0.04 2.28 2.36 2f28A1 PRO 177 HB3 -0.05 -0.12 0.01 -0.04 2.02 1.82 2f28A1 PRO 177 HG2 -0.04 -0.05 0.26 -0.04 2.03 2.15 2f28A1 PRO 177 HG3 -0.07 0.12 0.29 -0.04 2.03 2.33 2f28A1 PRO 177 HD2 -0.04 0.07 0.38 -0.04 3.68 4.05 2f28A1 PRO 177 HD3 -0.02 0.11 0.31 -0.04 3.65 4.01 2f28A1 ALA 178 H -0.40 0.56 0.45 -0.55 8.40 8.46 2f28A1 ALA 178 HA -0.15 0.10 0.71 -0.75 4.34 4.25 2f28A1 ALA 178 HB3 -0.76 0.00 -0.07 -0.04 1.41 0.54 2f28A1 TYR 179 H -0.29 0.56 0.31 -0.55 8.29 8.33 2f28A1 TYR 179 HA 0.01 0.23 0.64 -0.75 4.56 4.67 2f28A1 TYR 179 HB2 -0.17 0.05 -0.18 -0.04 3.06 2.72 2f28A1 TYR 179 HB3 -0.15 0.18 -0.36 -0.04 2.98 2.61 2f28A1 TYR 179 HD2 -0.25 0.04 -0.39 -0.04 7.15 6.51 2f28A1 TYR 179 HE2 0.03 0.09 -0.19 -0.04 6.85 6.74 2f28A1 ALA 180 H 0.00 0.56 0.32 -0.55 8.40 8.73 2f28A1 ALA 180 HA -0.16 0.12 1.05 -0.75 4.34 4.60 2f28A1 ALA 180 HB3 -1.21 0.02 -0.06 -0.04 1.41 0.11 2f28A1 TYR 181 H 0.13 0.54 0.22 -0.55 8.29 8.64 2f28A1 TYR 181 HA -0.05 0.11 0.27 -0.75 4.56 4.14 2f28A1 TYR 181 HB2 0.05 -0.09 0.16 -0.04 3.06 3.14 2f28A1 TYR 181 HB3 0.03 0.03 -0.15 -0.04 2.98 2.86 2f28A1 TYR 181 HD2 0.05 0.09 -0.27 -0.04 7.15 6.97 2f28A1 TYR 181 HE2 0.18 0.02 -0.13 -0.04 6.85 6.87 2f28A1 ARG 182 H -0.13 0.72 0.27 -0.55 8.46 8.76 2f28A1 ARG 182 HA 0.11 0.17 0.74 -0.75 4.34 4.60 2f28A1 ARG 182 HB2 -0.13 -0.06 0.22 -0.04 1.90 1.88 2f28A1 ARG 182 HB3 -0.04 0.02 0.02 -0.04 1.80 1.76 2f28A1 ARG 182 HG2 -0.57 -0.01 -0.09 -0.04 1.67 0.96 2f28A1 ARG 182 HG3 -0.59 0.17 0.07 -0.04 1.67 1.28 2f28A1 ARG 182 HD2 -1.77 0.02 0.01 -0.04 3.22 1.43 2f28A1 ARG 182 HD3 -0.50 -0.03 0.03 -0.04 3.22 2.67 2f28A1 LYS 183 H 0.19 0.74 0.34 -0.55 8.42 9.12 2f28A1 LYS 183 HA 0.10 0.06 0.60 -0.75 4.32 4.32 2f28A1 LYS 183 HB2 0.09 0.12 0.08 -0.04 1.87 2.12 2f28A1 LYS 183 HB3 0.07 -0.01 0.05 -0.04 1.79 1.86 2f28A1 LYS 183 HG2 0.09 -0.02 -0.07 -0.04 1.46 1.41 2f28A1 LYS 183 HG3 0.14 -0.10 -0.16 -0.04 1.46 1.30 2f28A1 LYS 183 HD2 0.05 -0.10 -0.10 -0.04 1.69 1.50 2f28A1 LYS 183 HD3 0.06 0.17 -0.14 -0.04 1.68 1.73 2f28A1 LYS 183 HE2 0.09 -0.05 -0.71 -0.04 2.99 2.28 2f28A1 LYS 183 HE3 0.05 -0.05 -0.14 -0.04 2.99 2.81 2f28A1 LEU 184 H 0.08 0.37 -0.11 -0.55 8.37 8.17 2f28A1 LEU 184 HA -0.02 0.11 0.51 -0.75 4.35 4.19 2f28A1 LEU 184 HB2 0.09 0.00 0.06 -0.04 1.64 1.75 2f28A1 LEU 184 HB3 -0.16 -0.04 0.03 -0.04 1.64 1.42 2f28A1 LEU 184 HG 0.00 -0.01 -0.12 -0.04 1.64 1.47 2f28A1 LEU 184 HD13 -0.02 -0.00 0.02 -0.04 0.93 0.88 2f28A1 LEU 184 HD23 -0.01 0.01 -0.03 -0.04 0.89 0.82 2f28A1 HIS 185 H 0.18 0.19 -0.09 -0.55 8.41 8.15 2f28A1 HIS 185 HA 0.01 0.22 0.94 -0.75 4.63 5.06 2f28A1 HIS 185 HB2 0.01 0.13 0.01 -0.04 3.26 3.37 2f28A1 HIS 185 HB3 0.01 -0.21 0.07 -0.04 3.20 3.02 2f28A1 HIS 185 HD2 0.01 -0.03 0.01 -0.04 6.97 6.91 2f28A1 HIS 185 HE1 -0.00 0.01 -0.04 -0.04 7.75 7.67 2f28A1 PRO 186 HA 0.04 0.17 0.45 -0.51 4.44 4.59 2f28A1 PRO 186 HB2 0.03 0.01 0.01 -0.04 2.28 2.29 2f28A1 PRO 186 HB3 0.02 0.05 0.07 -0.04 2.02 2.12 2f28A1 PRO 186 HG2 0.05 -0.04 0.07 -0.04 2.03 2.07 2f28A1 PRO 186 HG3 0.03 0.03 0.07 -0.04 2.03 2.12 2f28A1 PRO 186 HD2 0.09 0.02 0.25 -0.04 3.68 4.00 2f28A1 PRO 186 HD3 0.02 0.23 0.15 -0.04 3.65 4.00 2f28A1 ILE 187 H 0.08 -0.06 -0.14 -0.55 8.25 7.59 2f28A1 ILE 187 HA 0.03 0.20 0.79 -0.75 4.18 4.44 2f28A1 ILE 187 HB 0.03 -0.09 0.09 -0.04 1.89 1.88 2f28A1 ILE 187 HG12 0.02 0.06 -0.08 -0.04 1.49 1.45 2f28A1 ILE 187 HG13 0.03 -0.07 -0.09 -0.04 1.21 1.05 2f28A1 ILE 187 HG23 0.01 -0.00 -0.13 -0.04 0.93 0.77 2f28A1 ILE 187 HD13 0.02 -0.01 -0.01 -0.04 0.88 0.84 2f28A1 GLN 188 H 0.05 -0.10 -0.02 -0.55 8.47 7.85 2f28A1 GLN 188 HA -0.04 0.00 0.35 -0.75 4.36 3.92 2f28A1 GLN 188 HB2 -0.14 0.01 -0.05 -0.04 2.15 1.93 2f28A1 GLN 188 HB3 -0.18 0.06 0.06 -0.04 2.02 1.91 2f28A1 GLN 188 HG2 -0.06 -0.15 0.09 -0.04 2.40 2.24 2f28A1 GLN 188 HG3 -0.77 0.03 0.02 -0.04 2.39 1.63 2f28A1 GLN 188 HE21 -0.06 0.01 -0.00 -0.04 6.97 6.88 2f28A1 GLN 188 HE22 -0.05 -0.02 0.01 -0.04 7.69 7.58 2f28A1 ARG 189 H -0.02 0.01 0.14 -0.55 8.46 8.04 2f28A1 ARG 189 HA 0.02 0.15 0.45 -0.75 4.34 4.21 2f28A1 ARG 189 HB2 0.01 0.07 0.06 -0.04 1.90 2.00 2f28A1 ARG 189 HB3 -0.00 -0.05 0.11 -0.04 1.80 1.82 2f28A1 ARG 189 HG2 -0.01 -0.12 0.08 -0.04 1.67 1.58 2f28A1 ARG 189 HG3 0.03 0.11 -0.20 -0.04 1.67 1.56 2f28A1 ARG 189 HD2 0.01 0.05 -0.02 -0.04 3.22 3.22 2f28A1 ARG 189 HD3 -0.01 -0.05 0.01 -0.04 3.22 3.13 2f28A1 PRO 190 HA 0.10 0.11 0.45 -0.51 4.44 4.60 2f28A1 PRO 190 HB2 0.16 -0.05 -0.10 -0.04 2.28 2.24 2f28A1 PRO 190 HB3 0.14 0.00 -0.49 -0.04 2.02 1.64 2f28A1 PRO 190 HG2 0.05 0.02 -0.00 -0.04 2.03 2.06 2f28A1 PRO 190 HG3 0.08 0.08 -0.01 -0.04 2.03 2.14 2f28A1 PRO 190 HD2 0.02 0.05 0.14 -0.04 3.68 3.85 2f28A1 PRO 190 HD3 0.03 0.19 0.19 -0.04 3.65 4.02 2f28A1 ILE 191 H 0.06 0.28 0.32 -0.55 8.25 8.36 2f28A1 ILE 191 HA 0.10 0.23 0.91 -0.75 4.18 4.67 2f28A1 ILE 191 HB -0.01 -0.06 0.18 -0.04 1.89 1.95 2f28A1 ILE 191 HG12 0.04 0.04 0.04 -0.04 1.49 1.56 2f28A1 ILE 191 HG13 0.01 -0.07 0.03 -0.04 1.21 1.13 2f28A1 ILE 191 HG23 -0.02 0.02 0.05 -0.04 0.93 0.93 2f28A1 ILE 191 HD13 0.03 0.03 -0.13 -0.04 0.88 0.78 2f28A1 PRO 192 HA -0.37 0.40 0.79 -0.51 4.44 4.75 2f28A1 PRO 192 HB2 -0.40 0.16 -0.12 -0.04 2.28 1.88 2f28A1 PRO 192 HB3 -1.31 -0.04 -0.13 -0.04 2.02 0.50 2f28A1 PRO 192 HG2 -0.20 -0.05 -0.07 -0.04 2.03 1.66 2f28A1 PRO 192 HG3 -0.14 0.05 -0.09 -0.04 2.03 1.82 2f28A1 PRO 192 HD2 0.04 0.05 0.25 -0.04 3.68 3.97 2f28A1 PRO 192 HD3 0.18 0.22 0.13 -0.04 3.65 4.14 2f28A1 SER 193 H -0.24 0.39 0.38 -0.55 8.46 8.44 2f28A1 SER 193 HA -0.13 0.06 0.81 -0.75 4.49 4.47 2f28A1 SER 193 HB2 -0.78 -0.05 0.11 -0.04 3.95 3.20 2f28A1 SER 193 HB3 -0.10 0.09 -0.00 -0.04 3.93 3.88 2f28A1 ALA 194 H -0.03 0.11 0.10 -0.55 8.40 8.04 2f28A1 ALA 194 HA 0.08 0.21 0.85 -0.75 4.34 4.73 2f28A1 ALA 194 HB3 -0.11 0.02 0.01 -0.04 1.41 1.29 2f28A1 PHE 195 H -0.27 0.73 0.34 -0.55 8.34 8.58 2f28A1 PHE 195 HA -0.10 0.09 0.32 -0.75 4.62 4.17 2f28A1 PHE 195 HB2 -0.29 0.11 -0.19 -0.04 3.15 2.74 2f28A1 PHE 195 HB3 -0.24 0.05 -0.38 -0.04 3.06 2.44 2f28A1 PHE 195 HD2 -0.27 0.12 -0.28 -0.04 7.28 6.80 2f28A1 PHE 195 HE2 -1.21 -0.06 -0.34 -0.04 7.38 5.73 2f28A1 PHE 195 HZ -0.34 -0.04 -0.23 -0.04 7.32 6.66 2f28A1 CYS 196 H 0.17 0.27 0.10 -0.55 8.50 8.49 2f28A1 CYS 196 HA -0.27 0.29 1.03 -0.75 4.58 4.87 2f28A1 CYS 196 HB2 0.18 0.09 -0.03 -0.04 2.97 3.17 2f28A1 CYS 196 HB3 0.08 0.05 -0.12 -0.04 2.97 2.94 2f28A1 PHE 197 H 0.02 0.59 0.33 -0.55 8.34 8.73 2f28A1 PHE 197 HA 0.16 0.25 0.95 -0.75 4.62 5.22 2f28A1 PHE 197 HB2 -0.24 -0.03 0.17 -0.04 3.15 3.00 2f28A1 PHE 197 HB3 -0.11 -0.04 -0.01 -0.04 3.06 2.86 2f28A1 PHE 197 HD2 -0.10 0.09 -0.10 -0.04 7.28 7.12 2f28A1 PHE 197 HE2 0.03 0.08 -0.28 -0.04 7.38 7.17 2f28A1 PHE 197 HZ 0.14 -0.03 -0.22 -0.04 7.32 7.17 2f28A1 LEU 198 H 0.38 0.65 0.36 -0.55 8.37 9.22 2f28A1 LEU 198 HA 0.16 0.36 1.18 -0.75 4.35 5.30 2f28A1 LEU 198 HB2 0.05 0.11 -0.19 -0.04 1.64 1.56 2f28A1 LEU 198 HB3 0.03 -0.03 -0.00 -0.04 1.64 1.59 2f28A1 LEU 198 HG -0.46 -0.13 -0.41 -0.04 1.64 0.60 2f28A1 LEU 198 HD13 -0.09 0.08 -0.05 -0.04 0.93 0.82 2f28A1 LEU 198 HD23 -0.06 -0.01 -0.16 -0.04 0.89 0.62 2f28A1 SER 199 H -0.25 0.69 0.36 -0.55 8.46 8.71 2f28A1 SER 199 HA -0.53 0.20 0.93 -0.75 4.49 4.33 2f28A1 SER 199 HB2 -2.35 0.22 0.02 -0.04 3.95 1.80 2f28A1 SER 199 HB3 -1.25 -0.00 0.15 -0.04 3.93 2.79 2f28A1 HIS 200 H -0.30 0.23 0.14 -0.55 8.41 7.93 2f28A1 HIS 200 HA -0.19 0.12 0.81 -0.75 4.63 4.61 2f28A1 HIS 200 HB2 -0.12 0.04 0.01 -0.04 3.26 3.16 2f28A1 HIS 200 HB3 -0.11 0.01 0.10 -0.04 3.20 3.15 2f28A1 HIS 200 HD2 -0.06 0.04 -0.06 -0.04 6.97 6.85 2f28A1 HIS 200 HE1 -0.03 0.01 -0.12 -0.04 7.75 7.56 2f28A1 ASP 201 H -0.27 0.01 -0.05 -0.55 8.40 7.54 2f28A1 ASP 201 HA -0.15 0.38 0.98 -0.75 4.63 5.09 2f28A1 ASP 201 HB2 -0.01 0.08 0.19 -0.04 2.71 2.92 2f28A1 ASP 201 HB3 -0.04 0.08 -0.03 -0.04 2.70 2.67 2f28A1 HIS 202 H -0.53 0.25 -0.28 -0.55 8.41 7.30 2f28A1 HIS 202 HA -0.11 0.08 0.26 -0.75 4.63 4.10 2f28A1 HIS 202 HB2 0.05 0.16 -0.06 -0.04 3.26 3.37 2f28A1 HIS 202 HB3 0.15 -0.02 0.13 -0.04 3.20 3.42 2f28A1 HIS 202 HD2 -0.00 -0.01 -0.21 -0.04 6.97 6.70 2f28A1 HIS 202 HE1 0.00 -0.02 0.04 -0.04 7.75 7.73 2f28A1 GLY 203 H -0.49 -0.06 -0.26 -0.55 8.43 7.07 2f28A1 GLY 203 HA2 -0.81 0.04 0.14 -0.51 4.01 2.87 2f28A1 GLY 203 HA3 0.20 0.16 0.42 -0.51 4.01 4.29 2f28A1 ARG 204 H -0.14 0.18 -0.35 -0.55 8.46 7.60 2f28A1 ARG 204 HA 0.05 0.12 0.46 -0.75 4.34 4.21 2f28A1 ARG 204 HB2 0.02 0.15 0.07 -0.04 1.90 2.10 2f28A1 ARG 204 HB3 -0.05 -0.12 0.06 -0.04 1.80 1.65 2f28A1 ARG 204 HG2 0.01 -0.01 -0.09 -0.04 1.67 1.53 2f28A1 ARG 204 HG3 0.03 0.01 0.03 -0.04 1.67 1.70 2f28A1 ARG 204 HD2 0.02 0.03 0.00 -0.04 3.22 3.24 2f28A1 ARG 204 HD3 0.01 -0.04 -0.03 -0.04 3.22 3.12 2f28A1 THR 205 H -0.30 -0.03 -0.02 -0.55 8.28 7.38 2f28A1 THR 205 HA -0.01 0.27 0.81 -0.75 4.39 4.71 2f28A1 THR 205 HB -0.03 0.11 0.04 -0.04 4.32 4.40 2f28A1 THR 205 HG23 -0.02 0.00 -0.16 -0.04 1.22 1.00 2f28A1 TRP 206 H 0.16 0.31 0.12 -0.55 7.97 8.02 2f28A1 TRP 206 HA -0.02 0.23 0.98 -0.75 4.62 5.04 2f28A1 TRP 206 HB2 -0.03 0.06 -0.15 -0.04 3.23 3.07 2f28A1 TRP 206 HB3 0.01 0.06 -0.07 -0.04 3.23 3.19 2f28A1 TRP 206 HD1 -0.01 0.01 -0.37 -0.04 7.22 6.81 2f28A1 TRP 206 HE1 0.10 0.15 -0.16 -0.04 10.20 10.24 2f28A1 TRP 206 HE3 0.00 0.02 -0.31 -0.04 7.59 7.26 2f28A1 TRP 206 HZ2 0.24 0.02 -0.13 -0.04 7.44 7.52 2f28A1 TRP 206 HZ3 -0.11 0.12 -0.34 -0.04 7.13 6.76 2f28A1 TRP 206 HH2 -0.18 -0.00 -0.18 -0.04 7.19 6.79 2f28A1 ALA 207 H 0.30 0.47 0.38 -0.55 8.40 9.01 2f28A1 ALA 207 HA 0.13 0.18 0.90 -0.75 4.34 4.79 2f28A1 ALA 207 HB3 0.05 -0.02 0.02 -0.04 1.41 1.42 2f28A1 ARG 208 H 0.08 0.17 0.16 -0.55 8.46 8.31 2f28A1 ARG 208 HA 0.14 0.12 0.98 -0.75 4.34 4.82 2f28A1 ARG 208 HB2 0.18 0.27 0.14 -0.04 1.90 2.45 2f28A1 ARG 208 HB3 -0.05 -0.09 0.20 -0.04 1.80 1.81 2f28A1 ARG 208 HG2 -0.45 0.15 -0.20 -0.04 1.67 1.14 2f28A1 ARG 208 HG3 -0.40 -0.02 -0.04 -0.04 1.67 1.17 2f28A1 ARG 208 HD2 -0.08 -0.04 -0.09 -0.04 3.22 2.98 2f28A1 ARG 208 HD3 0.10 -0.03 0.01 -0.04 3.22 3.26 2f28A1 GLY 209 H 0.05 0.71 0.34 -0.55 8.43 8.99 2f28A1 GLY 209 HA2 0.02 -0.03 0.59 -0.51 4.01 4.08 2f28A1 GLY 209 HA3 0.09 0.13 0.43 -0.51 4.01 4.15 2f28A1 HIS 210 H 0.23 0.63 0.35 -0.55 8.41 9.07 2f28A1 HIS 210 HA -0.22 0.03 0.54 -0.75 4.63 4.23 2f28A1 HIS 210 HB2 0.05 -0.05 0.23 -0.04 3.26 3.45 2f28A1 HIS 210 HB3 0.04 0.04 0.12 -0.04 3.20 3.36 2f28A1 HIS 210 HD2 0.02 -0.01 0.05 -0.04 6.97 6.99 2f28A1 HIS 210 HE1 -0.00 -0.06 0.01 -0.04 7.75 7.66 2f28A1 PHE 211 H 0.00 0.01 0.16 -0.55 8.34 7.97 2f28A1 PHE 211 HA 0.07 0.26 0.49 -0.75 4.62 4.70 2f28A1 PHE 211 HB2 0.01 -0.11 0.08 -0.04 3.15 3.09 2f28A1 PHE 211 HB3 -0.02 0.12 0.02 -0.04 3.06 3.13 2f28A1 PHE 211 HD2 -0.02 0.05 -0.16 -0.04 7.28 7.11 2f28A1 PHE 211 HE2 -0.29 -0.04 -0.05 -0.04 7.38 6.95 2f28A1 PHE 211 HZ -0.53 -0.03 -0.10 -0.04 7.32 6.61 2f28A1 VAL 212 H 0.15 0.48 0.17 -0.55 8.24 8.48 2f28A1 VAL 212 HA 0.07 0.09 0.61 -0.75 4.13 4.15 2f28A1 VAL 212 HB -0.09 -0.18 0.13 -0.04 2.12 1.93 2f28A1 VAL 212 HG13 -0.35 0.02 -0.14 -0.04 0.97 0.45 2f28A1 VAL 212 HG23 -0.08 0.14 -0.04 -0.04 0.95 0.92 2f28A1 ALA 213 H -0.02 0.04 0.08 -0.55 8.40 7.95 2f28A1 ALA 213 HA -0.00 0.01 0.36 -0.75 4.34 3.95 2f28A1 ALA 213 HB3 -0.03 0.00 0.06 -0.04 1.41 1.40 2f28A1 GLN 214 H -0.03 0.01 0.15 -0.55 8.47 8.06 2f28A1 GLN 214 HA -0.10 0.13 0.50 -0.75 4.36 4.14 2f28A1 GLN 214 HB2 -0.05 0.01 0.09 -0.04 2.15 2.16 2f28A1 GLN 214 HB3 -0.04 -0.02 0.13 -0.04 2.02 2.05 2f28A1 GLN 214 HG2 -0.02 -0.08 0.05 -0.04 2.40 2.31 2f28A1 GLN 214 HG3 -0.02 0.07 -0.31 -0.04 2.39 2.09 2f28A1 GLN 214 HE21 0.01 -0.02 -0.00 -0.04 6.97 6.92 2f28A1 GLN 214 HE22 -0.00 -0.02 0.01 -0.04 7.69 7.63 2f28A1 ASP 215 H -0.10 0.36 0.25 -0.55 8.40 8.36 2f28A1 ASP 215 HA -0.10 0.07 0.39 -0.75 4.63 4.24 2f28A1 ASP 215 HB2 -0.03 0.00 -0.36 -0.04 2.71 2.28 2f28A1 ASP 215 HB3 -0.05 -0.08 0.29 -0.04 2.70 2.81 2f28A1 THR 216 H -0.17 0.37 -0.02 -0.55 8.28 7.92 2f28A1 THR 216 HA -0.22 0.32 0.79 -0.75 4.39 4.54 2f28A1 THR 216 HB -0.15 0.02 -0.05 -0.04 4.32 4.09 2f28A1 THR 216 HG23 -0.12 0.00 -0.25 -0.04 1.22 0.81 2f28A1 LEU 217 H -0.30 0.51 0.00 -0.55 8.37 8.04 2f28A1 LEU 217 HA -0.65 0.14 0.74 -0.75 4.35 3.82 2f28A1 LEU 217 HB2 -0.42 0.05 0.03 -0.04 1.64 1.26 2f28A1 LEU 217 HB3 -0.91 -0.06 0.05 -0.04 1.64 0.68 2f28A1 LEU 217 HG -0.39 0.01 -0.46 -0.04 1.64 0.77 2f28A1 LEU 217 HD13 -0.51 0.00 -0.39 -0.04 0.93 -0.00 2f28A1 LEU 217 HD23 -0.05 0.01 -0.13 -0.04 0.89 0.67 2f28A1 GLU 218 H -0.68 0.07 0.05 -0.55 8.60 7.49 2f28A1 GLU 218 HA -0.10 0.18 0.37 -0.75 4.29 3.99 2f28A1 GLU 218 HB2 -0.23 -0.13 0.16 -0.04 2.09 1.84 2f28A1 GLU 218 HB3 -0.11 0.14 0.05 -0.04 1.99 2.03 2f28A1 GLU 218 HG2 0.13 0.14 0.16 -0.04 2.34 2.74 2f28A1 GLU 218 HG3 -0.26 -0.08 0.08 -0.04 2.34 2.05 2f28A1 CYS 219 H -0.03 0.27 0.24 -0.55 8.50 8.43 2f28A1 CYS 219 HA -0.08 0.26 1.02 -0.75 4.58 5.03 2f28A1 CYS 219 HB2 -0.10 -0.05 -0.12 -0.04 2.97 2.66 2f28A1 CYS 219 HB3 -0.13 0.04 -0.13 -0.04 2.97 2.71 2f28A1 GLN 220 H -0.02 0.46 0.40 -0.55 8.47 8.76 2f28A1 GLN 220 HA -0.04 0.16 0.85 -0.75 4.36 4.57 2f28A1 GLN 220 HB2 0.06 -0.07 0.20 -0.04 2.15 2.30 2f28A1 GLN 220 HB3 -0.01 0.08 0.25 -0.04 2.02 2.30 2f28A1 GLN 220 HG2 -0.07 0.13 0.25 -0.04 2.40 2.67 2f28A1 GLN 220 HG3 0.00 0.04 -0.13 -0.04 2.39 2.26 2f28A1 GLN 220 HE21 0.20 -0.24 0.29 -0.04 6.97 7.18 2f28A1 GLN 220 HE22 0.06 0.49 0.34 -0.04 7.69 8.54 2f28A1 VAL 221 H -0.01 0.27 0.29 -0.55 8.24 8.24 2f28A1 VAL 221 HA 0.09 0.38 1.23 -0.75 4.13 5.07 2f28A1 VAL 221 HB 0.12 -0.05 -0.04 -0.04 2.12 2.12 2f28A1 VAL 221 HG13 0.08 -0.01 -0.24 -0.04 0.97 0.76 2f28A1 VAL 221 HG23 0.05 -0.02 -0.03 -0.04 0.95 0.91 2f28A1 ALA 222 H 0.13 0.54 0.37 -0.55 8.40 8.90 2f28A1 ALA 222 HA 0.17 0.12 0.71 -0.75 4.34 4.59 2f28A1 ALA 222 HB3 0.19 0.03 -0.15 -0.04 1.41 1.43 2f28A1 GLU 223 H 0.13 0.20 0.19 -0.55 8.60 8.58 2f28A1 GLU 223 HA 0.08 0.34 1.17 -0.75 4.29 5.12 2f28A1 GLU 223 HB2 0.08 -0.05 -0.05 -0.04 2.09 2.03 2f28A1 GLU 223 HB3 0.09 0.00 0.11 -0.04 1.99 2.15 2f28A1 GLU 223 HG2 0.05 0.05 -0.20 -0.04 2.34 2.20 2f28A1 GLU 223 HG3 0.05 0.12 -0.07 -0.04 2.34 2.40 2f28A1 VAL 224 H 0.05 0.58 0.35 -0.55 8.24 8.67 2f28A1 VAL 224 HA 0.04 0.13 0.77 -0.75 4.13 4.31 2f28A1 VAL 224 HB 0.01 0.12 -0.02 -0.04 2.12 2.18 2f28A1 VAL 224 HG13 0.04 -0.03 -0.38 -0.04 0.97 0.56 2f28A1 VAL 224 HG23 0.02 -0.02 -0.29 -0.04 0.95 0.62 2f28A1 GLU 225 H 0.01 0.10 0.11 -0.55 8.60 8.28 2f28A1 GLU 225 HA 0.01 0.19 0.56 -0.75 4.29 4.30 2f28A1 GLU 225 HB2 0.01 -0.02 0.07 -0.04 2.09 2.11 2f28A1 GLU 225 HB3 0.01 -0.14 0.22 -0.04 1.99 2.04 2f28A1 GLU 225 HG2 0.00 0.12 -0.31 -0.04 2.34 2.11 2f28A1 GLU 225 HG3 0.00 0.02 -0.15 -0.04 2.34 2.17 2f28A1 GLN 229 HA -0.00 -0.06 0.24 -0.75 4.36 3.78 2f28A1 GLN 229 HB2 -0.01 -0.07 0.14 -0.04 2.15 2.18 2f28A1 GLN 229 HB3 -0.01 -0.02 0.10 -0.04 2.02 2.05 2f28A1 GLN 229 HG2 -0.01 -0.02 -0.04 -0.04 2.40 2.29 2f28A1 GLN 229 HG3 -0.01 0.06 -0.38 -0.04 2.39 2.02 2f28A1 GLN 229 HE21 -0.02 -0.03 0.00 -0.04 6.97 6.89 2f28A1 GLN 229 HE22 -0.01 -0.01 -0.07 -0.04 7.69 7.55 2f28A1 ARG 230 H 0.00 0.04 0.15 -0.55 8.46 8.10 2f28A1 ARG 230 HA 0.01 0.31 0.88 -0.75 4.34 4.78 2f28A1 ARG 230 HB2 0.02 -0.00 -0.01 -0.04 1.90 1.87 2f28A1 ARG 230 HB3 0.01 -0.01 0.03 -0.04 1.80 1.80 2f28A1 ARG 230 HG2 0.00 -0.01 0.11 -0.04 1.67 1.73 2f28A1 ARG 230 HG3 0.01 0.01 0.03 -0.04 1.67 1.67 2f28A1 ARG 230 HD2 0.01 -0.07 -0.05 -0.04 3.22 3.08 2f28A1 ARG 230 HD3 0.02 -0.03 -0.11 -0.04 3.22 3.06 2f28A1 VAL 231 H 0.02 0.68 0.41 -0.55 8.24 8.81 2f28A1 VAL 231 HA -0.01 0.18 1.00 -0.75 4.13 4.55 2f28A1 VAL 231 HB 0.01 -0.04 -0.01 -0.04 2.12 2.04 2f28A1 VAL 231 HG13 -0.00 0.02 -0.34 -0.04 0.97 0.61 2f28A1 VAL 231 HG23 0.02 0.02 -0.20 -0.04 0.95 0.76 2f28A1 VAL 232 H -0.01 0.47 0.33 -0.55 8.24 8.48 2f28A1 VAL 232 HA 0.08 0.28 0.99 -0.75 4.13 4.72 2f28A1 VAL 232 HB -0.03 -0.16 0.08 -0.04 2.12 1.97 2f28A1 VAL 232 HG13 0.20 0.03 -0.29 -0.04 0.97 0.86 2f28A1 VAL 232 HG23 0.03 -0.00 -0.20 -0.04 0.95 0.74 2f28A1 THR 233 H 0.12 0.72 0.35 -0.55 8.28 8.93 2f28A1 THR 233 HA 0.18 0.20 1.04 -0.75 4.39 5.05 2f28A1 THR 233 HB 0.09 -0.04 -0.08 -0.04 4.32 4.26 2f28A1 THR 233 HG23 0.13 0.03 -0.07 -0.04 1.22 1.27 2f28A1 LEU 234 H 0.11 0.68 0.37 -0.55 8.37 8.99 2f28A1 LEU 234 HA 0.02 0.29 0.99 -0.75 4.35 4.89 2f28A1 LEU 234 HB2 -0.20 -0.07 -0.13 -0.04 1.64 1.20 2f28A1 LEU 234 HB3 -0.41 -0.05 0.09 -0.04 1.64 1.23 2f28A1 LEU 234 HG -0.14 0.08 -0.13 -0.04 1.64 1.41 2f28A1 LEU 234 HD13 -0.46 -0.01 -0.22 -0.04 0.93 0.20 2f28A1 LEU 234 HD23 -0.23 -0.00 -0.38 -0.04 0.89 0.24 2f28A1 ASN 235 H -0.01 0.66 0.31 -0.55 8.53 8.95 2f28A1 ASN 235 HA -0.08 0.20 0.97 -0.75 4.76 5.10 2f28A1 ASN 235 HB2 0.03 -0.07 -0.12 -0.04 2.88 2.68 2f28A1 ASN 235 HB3 0.03 -0.01 0.12 -0.04 2.79 2.89 2f28A1 ASN 235 HD21 -0.76 0.01 -0.15 -0.04 7.03 6.09 2f28A1 ASN 235 HD22 -0.12 -0.06 -0.16 -0.04 7.74 7.36 2f28A1 ALA 236 H -0.12 0.79 0.35 -0.55 8.40 8.88 2f28A1 ALA 236 HA -0.11 0.29 1.21 -0.75 4.34 4.98 2f28A1 ALA 236 HB3 -0.15 -0.02 -0.06 -0.04 1.41 1.13 2f28A1 ARG 237 H -0.16 0.56 0.14 -0.55 8.46 8.45 2f28A1 ARG 237 HA -0.09 0.10 0.55 -0.75 4.34 4.15 2f28A1 ARG 237 HB2 -0.13 0.06 -0.00 -0.04 1.90 1.79 2f28A1 ARG 237 HB3 -0.21 -0.14 0.04 -0.04 1.80 1.46 2f28A1 ARG 237 HG2 -0.16 0.08 -0.32 -0.04 1.67 1.23 2f28A1 ARG 237 HG3 -0.04 -0.05 -0.05 -0.04 1.67 1.49 2f28A1 ARG 237 HD2 -0.13 -0.14 -0.34 -0.04 3.22 2.58 2f28A1 ARG 237 HD3 -0.16 -0.16 -0.11 -0.04 3.22 2.74 2f28A1 SER 238 H -0.09 0.22 0.17 -0.55 8.46 8.21 2f28A1 SER 238 HA -0.26 0.31 0.85 -0.75 4.49 4.63 2f28A1 SER 238 HB2 -0.10 -0.04 0.15 -0.04 3.95 3.93 2f28A1 SER 238 HB3 -0.12 0.02 -0.13 -0.04 3.93 3.66 2f28A1 HIS 239 H -0.07 0.21 0.11 -0.55 8.41 8.11 2f28A1 HIS 239 HA 0.00 0.26 0.56 -0.75 4.63 4.70 2f28A1 HIS 239 HB2 -0.02 -0.07 0.09 -0.04 3.26 3.23 2f28A1 HIS 239 HB3 0.00 0.01 0.23 -0.04 3.20 3.40 2f28A1 HIS 239 HD2 0.01 0.17 -0.10 -0.04 6.97 7.00 2f28A1 HIS 239 HE1 0.02 -0.05 -0.06 -0.04 7.75 7.62 2f28A1 LEU 240 H 0.01 0.03 -0.29 -0.55 8.37 7.57 2f28A1 LEU 240 HA 0.03 0.17 0.75 -0.75 4.35 4.55 2f28A1 LEU 240 HB2 -0.02 0.12 0.06 -0.04 1.64 1.76 2f28A1 LEU 240 HB3 -0.00 -0.14 0.18 -0.04 1.64 1.63 2f28A1 LEU 240 HG 0.00 -0.07 -0.07 -0.04 1.64 1.46 2f28A1 LEU 240 HD13 -0.02 0.01 -0.03 -0.04 0.93 0.85 2f28A1 LEU 240 HD23 0.02 0.03 -0.07 -0.04 0.89 0.83 2f28A1 ARG 241 H 0.01 0.06 0.12 -0.55 8.46 8.09 2f28A1 ARG 241 HA 0.04 0.51 0.88 -0.75 4.34 5.01 2f28A1 ARG 241 HB2 0.01 -0.09 0.11 -0.04 1.90 1.89 2f28A1 ARG 241 HB3 0.03 0.03 0.22 -0.04 1.80 2.04 2f28A1 ARG 241 HG2 0.05 0.16 0.04 -0.04 1.67 1.89 2f28A1 ARG 241 HG3 0.03 -0.09 -0.02 -0.04 1.67 1.54 2f28A1 ARG 241 HD2 0.02 -0.06 0.03 -0.04 3.22 3.16 2f28A1 ARG 241 HD3 0.03 0.01 0.06 -0.04 3.22 3.28 2f28A1 ALA 242 H -0.03 0.07 -0.21 -0.55 8.40 7.68 2f28A1 ALA 242 HA -0.09 0.33 0.72 -0.75 4.34 4.54 2f28A1 ALA 242 HB3 -0.07 0.00 -0.28 -0.04 1.41 1.03 2f28A1 ARG 243 H -0.21 0.58 0.17 -0.55 8.46 8.45 2f28A1 ARG 243 HA -0.16 0.11 0.47 -0.75 4.34 4.00 2f28A1 ARG 243 HB2 -0.36 -0.09 0.05 -0.04 1.90 1.46 2f28A1 ARG 243 HB3 -0.27 0.03 0.02 -0.04 1.80 1.54 2f28A1 ARG 243 HG2 -0.37 0.25 -0.14 -0.04 1.67 1.37 2f28A1 ARG 243 HG3 -0.56 -0.07 -0.10 -0.04 1.67 0.90 2f28A1 ARG 243 HD2 -0.19 -0.05 -0.05 -0.04 3.22 2.89 2f28A1 ARG 243 HD3 -0.47 0.09 -0.13 -0.04 3.22 2.67 2f28A1 VAL 244 H -0.14 0.56 0.26 -0.55 8.24 8.38 2f28A1 VAL 244 HA -0.09 0.26 1.04 -0.75 4.13 4.58 2f28A1 VAL 244 HB -0.11 0.02 0.03 -0.04 2.12 2.02 2f28A1 VAL 244 HG13 -0.08 -0.02 -0.16 -0.04 0.97 0.67 2f28A1 VAL 244 HG23 -0.08 0.01 -0.16 -0.04 0.95 0.68 2f28A1 GLN 245 H -0.06 0.66 0.38 -0.55 8.47 8.90 2f28A1 GLN 245 HA -0.07 0.43 1.12 -0.75 4.36 5.09 2f28A1 GLN 245 HB2 -0.05 -0.01 -0.14 -0.04 2.15 1.91 2f28A1 GLN 245 HB3 0.00 -0.05 -0.02 -0.04 2.02 1.91 2f28A1 GLN 245 HG2 0.03 0.18 0.10 -0.04 2.40 2.67 2f28A1 GLN 245 HG3 0.09 -0.02 -0.10 -0.04 2.39 2.33 2f28A1 GLN 245 HE21 0.07 -0.09 -0.28 -0.04 6.97 6.63 2f28A1 GLN 245 HE22 0.09 -0.04 -0.15 -0.04 7.69 7.55 2f28A1 ALA 246 H -0.01 0.54 0.38 -0.55 8.40 8.76 2f28A1 ALA 246 HA 0.07 0.15 0.58 -0.75 4.34 4.38 2f28A1 ALA 246 HB3 -0.04 0.02 -0.07 -0.04 1.41 1.28 2f28A1 GLN 247 H 0.18 0.21 0.16 -0.55 8.47 8.48 2f28A1 GLN 247 HA 0.27 0.41 1.21 -0.75 4.36 5.51 2f28A1 GLN 247 HB2 0.06 0.02 -0.02 -0.04 2.15 2.18 2f28A1 GLN 247 HB3 0.09 0.02 -0.09 -0.04 2.02 2.00 2f28A1 GLN 247 HG2 0.06 0.01 0.01 -0.04 2.40 2.44 2f28A1 GLN 247 HG3 0.05 -0.09 -0.12 -0.04 2.39 2.18 2f28A1 GLN 247 HE21 0.01 0.05 -0.10 -0.04 6.97 6.89 2f28A1 GLN 247 HE22 0.03 0.01 -0.12 -0.04 7.69 7.57 2f28A1 SER 248 H -0.03 0.62 0.36 -0.55 8.46 8.86 2f28A1 SER 248 HA -0.25 0.20 1.08 -0.75 4.49 4.76 2f28A1 SER 248 HB2 -1.77 0.16 -0.18 -0.04 3.95 2.12 2f28A1 SER 248 HB3 -0.66 0.03 0.08 -0.04 3.93 3.34 2f28A1 THR 249 H -0.12 0.25 0.18 -0.55 8.28 8.05 2f28A1 THR 249 HA -0.05 0.29 0.94 -0.75 4.39 4.82 2f28A1 THR 249 HB -0.03 0.04 0.18 -0.04 4.32 4.47 2f28A1 THR 249 HG23 -0.03 0.02 -0.09 -0.04 1.22 1.09 2f28A1 ASN 250 H -0.14 0.02 -0.13 -0.55 8.53 7.74 2f28A1 ASN 250 HA -0.03 0.30 0.86 -0.75 4.76 5.14 2f28A1 ASN 250 HB2 -0.01 0.06 0.15 -0.04 2.88 3.03 2f28A1 ASN 250 HB3 -0.04 0.09 -0.08 -0.04 2.79 2.72 2f28A1 ASN 250 HD21 -0.03 0.04 -0.05 -0.04 7.03 6.94 2f28A1 ASN 250 HD22 -0.02 0.08 -0.00 -0.04 7.74 7.75 2f28A1 ASP 251 H -0.05 0.25 -0.23 -0.55 8.40 7.83 2f28A1 ASP 251 HA -0.01 0.07 0.18 -0.75 4.63 4.12 2f28A1 ASP 251 HB2 0.07 0.17 -0.13 -0.04 2.71 2.78 2f28A1 ASP 251 HB3 0.05 0.02 0.06 -0.04 2.70 2.79 2f28A1 GLY 252 H -0.23 -0.09 -0.43 -0.55 8.43 7.13 2f28A1 GLY 252 HA2 -0.55 0.04 0.08 -0.51 4.01 3.07 2f28A1 GLY 252 HA3 0.01 0.24 0.54 -0.51 4.01 4.29 2f28A1 LEU 253 H -0.07 0.27 -0.26 -0.55 8.37 7.77 2f28A1 LEU 253 HA 0.07 0.11 0.46 -0.75 4.35 4.23 2f28A1 LEU 253 HB2 0.01 0.17 0.10 -0.04 1.64 1.89 2f28A1 LEU 253 HB3 0.04 -0.02 -0.06 -0.04 1.64 1.57 2f28A1 LEU 253 HG 0.08 0.03 -0.02 -0.04 1.64 1.69 2f28A1 LEU 253 HD13 0.04 0.01 -0.19 -0.04 0.93 0.75 2f28A1 LEU 253 HD23 0.05 -0.01 -0.04 -0.04 0.89 0.86 2f28A1 ASP 254 H -0.15 0.00 -0.10 -0.55 8.40 7.61 2f28A1 ASP 254 HA 0.07 0.24 0.76 -0.75 4.63 4.95 2f28A1 ASP 254 HB2 -0.08 -0.13 0.00 -0.04 2.71 2.47 2f28A1 ASP 254 HB3 -0.07 0.10 -0.06 -0.04 2.70 2.62 2f28A1 PHE 255 H 0.21 0.30 0.03 -0.55 8.34 8.33 2f28A1 PHE 255 HA 0.02 0.10 0.87 -0.75 4.62 4.85 2f28A1 PHE 255 HB2 0.04 0.07 -0.07 -0.04 3.15 3.14 2f28A1 PHE 255 HB3 0.02 0.12 -0.13 -0.04 3.06 3.04 2f28A1 PHE 255 HD2 0.03 0.04 -0.53 -0.04 7.28 6.77 2f28A1 PHE 255 HE2 0.02 0.13 -0.22 -0.04 7.38 7.27 2f28A1 PHE 255 HZ 0.01 -0.01 -0.25 -0.04 7.32 7.03 2f28A1 GLN 256 H 0.11 0.62 0.31 -0.55 8.47 8.97 2f28A1 GLN 256 HA 0.04 0.02 0.49 -0.75 4.36 4.16 2f28A1 GLN 256 HB2 0.06 0.00 0.13 -0.04 2.15 2.31 2f28A1 GLN 256 HB3 0.03 -0.05 0.16 -0.04 2.02 2.13 2f28A1 GLN 256 HG2 0.01 -0.03 0.04 -0.04 2.40 2.37 2f28A1 GLN 256 HG3 0.01 0.02 0.12 -0.04 2.39 2.49 2f28A1 GLN 256 HE21 -0.00 0.03 -0.06 -0.04 6.97 6.90 2f28A1 GLN 256 HE22 -0.01 -0.07 -0.04 -0.04 7.69 7.53 2f28A1 GLU 257 H 0.03 0.04 0.14 -0.55 8.60 8.27 2f28A1 GLU 257 HA 0.04 0.01 0.38 -0.75 4.29 3.97 2f28A1 GLU 257 HB2 0.02 -0.04 0.16 -0.04 2.09 2.19 2f28A1 GLU 257 HB3 0.02 -0.04 0.12 -0.04 1.99 2.05 2f28A1 GLU 257 HG2 0.01 0.29 -0.17 -0.04 2.34 2.43 2f28A1 GLU 257 HG3 0.01 -0.07 0.09 -0.04 2.34 2.34 2f28A1 SER 258 H 0.02 0.01 0.21 -0.55 8.46 8.15 2f28A1 SER 258 HA 0.01 0.22 0.64 -0.75 4.49 4.59 2f28A1 SER 258 HB2 -0.01 -0.06 0.12 -0.04 3.95 3.95 2f28A1 SER 258 HB3 -0.04 0.08 0.04 -0.04 3.93 3.97 2f28A1 GLN 259 H -0.01 0.74 0.45 -0.55 8.47 9.10 2f28A1 GLN 259 HA -0.01 0.12 0.92 -0.75 4.36 4.63 2f28A1 GLN 259 HB2 0.00 -0.01 0.00 -0.04 2.15 2.11 2f28A1 GLN 259 HB3 -0.00 -0.01 0.07 -0.04 2.02 2.04 2f28A1 GLN 259 HG2 0.01 -0.01 -0.15 -0.04 2.40 2.21 2f28A1 GLN 259 HG3 0.01 0.16 -0.35 -0.04 2.39 2.18 2f28A1 GLN 259 HE21 0.01 -0.06 -0.04 -0.04 6.97 6.85 2f28A1 GLN 259 HE22 0.02 0.03 -0.05 -0.04 7.69 7.64 2f28A1 LEU 260 H -0.02 0.11 0.18 -0.55 8.37 8.09 2f28A1 LEU 260 HA -0.06 0.34 0.78 -0.75 4.35 4.66 2f28A1 LEU 260 HB2 -0.02 -0.07 0.12 -0.04 1.64 1.62 2f28A1 LEU 260 HB3 -0.04 0.02 -0.08 -0.04 1.64 1.50 2f28A1 LEU 260 HG -0.03 -0.04 -0.04 -0.04 1.64 1.50 2f28A1 LEU 260 HD13 -0.02 -0.01 -0.02 -0.04 0.93 0.83 2f28A1 LEU 260 HD23 -0.04 0.03 -0.12 -0.04 0.89 0.71 2f28A1 VAL 261 H -0.10 0.82 0.10 -0.55 8.24 8.52 2f28A1 VAL 261 HA -0.03 0.10 0.81 -0.75 4.13 4.25 2f28A1 VAL 261 HB -0.27 0.03 0.14 -0.04 2.12 1.98 2f28A1 VAL 261 HG13 -0.19 -0.03 -0.03 -0.04 0.97 0.68 2f28A1 VAL 261 HG23 -0.06 0.03 -0.21 -0.04 0.95 0.67 2f28A1 LYS 262 H -0.03 0.23 -0.13 -0.55 8.42 7.94 2f28A1 LYS 262 HA -0.05 0.09 0.25 -0.75 4.32 3.85 2f28A1 LYS 262 HB2 -0.00 -0.01 0.02 -0.04 1.87 1.84 2f28A1 LYS 262 HB3 -0.01 0.04 -0.02 -0.04 1.79 1.76 2f28A1 LYS 262 HG2 -0.02 0.00 -0.06 -0.04 1.46 1.35 2f28A1 LYS 262 HG3 -0.02 0.01 -0.06 -0.04 1.46 1.35 2f28A1 LYS 262 HD2 -0.00 0.00 -0.02 -0.04 1.69 1.63 2f28A1 LYS 262 HD3 -0.00 0.01 -0.03 -0.04 1.68 1.62 2f28A1 LYS 262 HE2 -0.01 -0.01 -0.03 -0.04 2.99 2.91 2f28A1 LYS 262 HE3 -0.01 0.00 -0.01 -0.04 2.99 2.93 2f28A1 LYS 263 H -0.02 0.05 -0.36 -0.55 8.42 7.54 2f28A1 LYS 263 HA 0.02 0.06 0.37 -0.75 4.32 4.02 2f28A1 LYS 263 HB2 0.08 0.02 -0.02 -0.04 1.87 1.91 2f28A1 LYS 263 HB3 0.12 0.11 -0.04 -0.04 1.79 1.94 2f28A1 LYS 263 HG2 0.07 -0.02 -0.03 -0.04 1.46 1.43 2f28A1 LYS 263 HG3 0.05 -0.16 -0.04 -0.04 1.46 1.27 2f28A1 LYS 263 HD2 0.13 0.03 0.04 -0.04 1.69 1.85 2f28A1 LYS 263 HD3 0.14 0.33 -0.05 -0.04 1.68 2.06 2f28A1 LYS 263 HE2 0.04 -0.16 0.02 -0.04 2.99 2.85 2f28A1 LYS 263 HE3 0.04 0.32 0.07 -0.04 2.99 3.38 2f28A1 LEU 264 H -0.22 0.44 -0.46 -0.55 8.37 7.58 2f28A1 LEU 264 HA -0.39 0.16 0.82 -0.75 4.35 4.19 2f28A1 LEU 264 HB2 -0.59 -0.07 0.16 -0.04 1.64 1.09 2f28A1 LEU 264 HB3 -0.85 0.07 -0.04 -0.04 1.64 0.77 2f28A1 LEU 264 HG -0.98 -0.10 -0.19 -0.04 1.64 0.33 2f28A1 LEU 264 HD13 -2.11 -0.02 -0.14 -0.04 0.93 -1.37 2f28A1 LEU 264 HD23 -1.38 0.05 -0.24 -0.04 0.89 -0.73 2f28A1 VAL 265 H -0.02 0.14 -0.02 -0.55 8.24 7.79 2f28A1 VAL 265 HA -0.05 0.16 0.45 -0.75 4.13 3.94 2f28A1 VAL 265 HB 0.05 -0.05 0.04 -0.04 2.12 2.11 2f28A1 VAL 265 HG13 0.13 0.02 -0.22 -0.04 0.97 0.86 2f28A1 VAL 265 HG23 0.07 -0.01 -0.11 -0.04 0.95 0.86 2f28A1 GLU 266 H 0.01 0.52 -0.04 -0.55 8.60 8.54 2f28A1 GLU 266 HA 0.11 0.15 0.61 -0.75 4.29 4.41 2f28A1 GLU 266 HB2 -0.08 -0.06 -0.53 -0.04 2.09 1.38 2f28A1 GLU 266 HB3 0.00 0.00 -0.39 -0.04 1.99 1.56 2f28A1 GLU 266 HG2 -0.00 -0.08 -0.20 -0.04 2.34 2.02 2f28A1 GLU 266 HG3 0.08 0.03 -0.21 -0.04 2.34 2.20 2f28A1 PRO 267 HA 0.18 0.40 0.60 -0.51 4.44 5.10 2f28A1 PRO 267 HB2 0.13 0.04 -0.46 -0.04 2.28 1.95 2f28A1 PRO 267 HB3 0.14 0.10 -0.40 -0.04 2.02 1.82 2f28A1 PRO 267 HG2 0.11 -0.08 -0.10 -0.04 2.03 1.92 2f28A1 PRO 267 HG3 0.07 0.01 -0.27 -0.04 2.03 1.80 2f28A1 PRO 267 HD2 0.23 -0.03 0.06 -0.04 3.68 3.91 2f28A1 PRO 267 HD3 0.28 0.27 -0.13 -0.04 3.65 4.03 2f28A1 PRO 268 HA 0.10 0.02 0.30 -0.51 4.44 4.36 2f28A1 PRO 268 HB2 0.06 -0.04 0.00 -0.04 2.28 2.26 2f28A1 PRO 268 HB3 0.07 0.11 -0.13 -0.04 2.02 2.02 2f28A1 PRO 268 HG2 0.12 -0.05 0.06 -0.04 2.03 2.11 2f28A1 PRO 268 HG3 0.08 -0.05 0.04 -0.04 2.03 2.06 2f28A1 PRO 268 HD2 0.19 0.27 0.45 -0.04 3.68 4.55 2f28A1 PRO 268 HD3 0.11 0.37 0.31 -0.04 3.65 4.40 2f28A1 PRO 269 HA 0.06 0.15 0.37 -0.51 4.44 4.50 2f28A1 PRO 269 HB2 -0.05 0.03 0.09 -0.04 2.28 2.31 2f28A1 PRO 269 HB3 0.00 -0.01 0.11 -0.04 2.02 2.08 2f28A1 PRO 269 HG2 0.00 0.04 0.02 -0.04 2.03 2.05 2f28A1 PRO 269 HG3 0.00 -0.02 0.07 -0.04 2.03 2.04 2f28A1 PRO 269 HD2 0.08 0.09 0.42 -0.04 3.68 4.23 2f28A1 PRO 269 HD3 0.05 0.06 0.06 -0.04 3.65 3.78 2f28A1 GLN 270 H 0.09 0.19 -0.00 -0.55 8.47 8.20 2f28A1 GLN 270 HA 0.13 0.13 0.80 -0.75 4.36 4.67 2f28A1 GLN 270 HB2 0.09 0.06 0.08 -0.04 2.15 2.34 2f28A1 GLN 270 HB3 0.11 -0.01 0.05 -0.04 2.02 2.12 2f28A1 GLN 270 HG2 0.03 -0.06 -0.03 -0.04 2.40 2.30 2f28A1 GLN 270 HG3 0.05 -0.04 0.00 -0.04 2.39 2.36 2f28A1 GLN 270 HE21 -0.06 -0.01 -0.04 -0.04 6.97 6.82 2f28A1 GLN 270 HE22 -0.02 -0.04 -0.04 -0.04 7.69 7.55 2f28A1 GLY 271 H 0.12 0.46 0.04 -0.55 8.43 8.51 2f28A1 GLY 271 HA2 0.12 0.01 0.19 -0.51 4.01 3.82 2f28A1 GLY 271 HA3 0.09 0.24 0.45 -0.51 4.01 4.28 2f28A1 CYS 272 H 0.15 0.28 0.19 -0.55 8.50 8.56 2f28A1 CYS 272 HA 0.04 0.05 0.62 -0.75 4.58 4.54 2f28A1 CYS 272 HB2 -0.01 0.03 -0.27 -0.04 2.97 2.69 2f28A1 CYS 272 HB3 -0.31 0.06 -0.05 -0.04 2.97 2.63 2f28A1 GLN 273 H -0.51 0.02 0.14 -0.55 8.47 7.57 2f28A1 GLN 273 HA -0.24 0.10 0.54 -0.75 4.36 4.01 2f28A1 GLN 273 HB2 -1.07 -0.03 0.16 -0.04 2.15 1.17 2f28A1 GLN 273 HB3 -1.71 -0.15 0.17 -0.04 2.02 0.29 2f28A1 GLN 273 HG2 -0.23 0.09 0.07 -0.04 2.40 2.29 2f28A1 GLN 273 HG3 -0.32 -0.01 0.04 -0.04 2.39 2.06 2f28A1 GLN 273 HE21 0.07 0.34 0.04 -0.04 6.97 7.38 2f28A1 GLN 273 HE22 0.01 0.13 -0.02 -0.04 7.69 7.76 2f28A1 GLY 274 H -0.05 0.25 0.23 -0.55 8.43 8.31 2f28A1 GLY 274 HA2 -0.08 0.14 0.88 -0.51 4.01 4.44 2f28A1 GLY 274 HA3 0.04 0.05 0.35 -0.51 4.01 3.94 2f28A1 SER 275 H -0.19 0.53 0.34 -0.55 8.46 8.60 2f28A1 SER 275 HA 0.12 0.26 1.09 -0.75 4.49 5.20 2f28A1 SER 275 HB2 0.12 0.30 -0.18 -0.04 3.95 4.15 2f28A1 SER 275 HB3 0.08 -0.10 -0.03 -0.04 3.93 3.84 2f28A1 VAL 276 H 0.25 0.30 0.24 -0.55 8.24 8.49 2f28A1 VAL 276 HA 0.33 0.32 1.01 -0.75 4.13 5.03 2f28A1 VAL 276 HB 0.33 0.02 -0.18 -0.04 2.12 2.25 2f28A1 VAL 276 HG13 0.18 -0.01 -0.17 -0.04 0.97 0.93 2f28A1 VAL 276 HG23 0.37 -0.01 -0.16 -0.04 0.95 1.11 2f28A1 ILE 277 H 0.31 0.63 0.37 -0.55 8.25 9.01 2f28A1 ILE 277 HA 0.31 0.18 0.78 -0.75 4.18 4.69 2f28A1 ILE 277 HB 0.23 0.07 0.15 -0.04 1.89 2.30 2f28A1 ILE 277 HG12 0.19 0.02 -0.10 -0.04 1.49 1.56 2f28A1 ILE 277 HG13 0.32 -0.06 -0.19 -0.04 1.21 1.24 2f28A1 ILE 277 HG23 0.07 -0.02 -0.15 -0.04 0.93 0.79 2f28A1 ILE 277 HD13 0.21 -0.02 -0.24 -0.04 0.88 0.80 2f28A1 SER 278 H 0.24 0.13 0.28 -0.55 8.46 8.57 2f28A1 SER 278 HA 0.19 0.33 1.07 -0.75 4.49 5.33 2f28A1 SER 278 HB2 0.09 0.03 0.15 -0.04 3.95 4.18 2f28A1 SER 278 HB3 0.14 -0.09 0.03 -0.04 3.93 3.97 2f28A1 PHE 279 H -0.06 0.59 0.37 -0.55 8.34 8.68 2f28A1 PHE 279 HA 0.10 0.07 0.54 -0.75 4.62 4.57 2f28A1 PHE 279 HB2 0.12 -0.00 0.12 -0.04 3.15 3.35 2f28A1 PHE 279 HB3 0.29 0.03 -0.15 -0.04 3.06 3.20 2f28A1 PHE 279 HD2 0.16 0.10 -0.29 -0.04 7.28 7.20 2f28A1 PHE 279 HE2 0.12 0.03 -0.27 -0.04 7.38 7.21 2f28A1 PHE 279 HZ 0.47 -0.00 -0.14 -0.04 7.32 7.60 2f28A1 PRO 280 HA -0.08 0.18 0.67 -0.51 4.44 4.70 2f28A1 PRO 280 HB2 0.02 0.01 0.08 -0.04 2.28 2.34 2f28A1 PRO 280 HB3 -0.02 0.07 0.14 -0.04 2.02 2.17 2f28A1 PRO 280 HG2 0.05 -0.00 0.10 -0.04 2.03 2.14 2f28A1 PRO 280 HG3 0.04 0.02 0.11 -0.04 2.03 2.17 2f28A1 PRO 280 HD2 0.19 0.07 0.22 -0.04 3.68 4.11 2f28A1 PRO 280 HD3 0.16 0.09 0.23 -0.04 3.65 4.08 2f28A1 SER 281 H -0.25 0.60 0.33 -0.55 8.46 8.59 2f28A1 SER 281 HA -1.28 0.02 0.36 -0.75 4.49 2.82 2f28A1 SER 281 HB2 -0.39 0.05 -0.18 -0.04 3.95 3.38 2f28A1 SER 281 HB3 -0.27 0.06 0.12 -0.04 3.93 3.81 2f28A1 PRO 282 HA -0.19 0.09 0.50 -0.51 4.44 4.34 2f28A1 PRO 282 HB2 -0.20 0.01 0.11 -0.04 2.28 2.17 2f28A1 PRO 282 HB3 -0.07 -0.03 0.11 -0.04 2.02 1.99 2f28A1 PRO 282 HG2 -0.94 0.06 -0.09 -0.04 2.03 1.03 2f28A1 PRO 282 HG3 -0.61 -0.01 0.01 -0.04 2.03 1.38 2f28A1 PRO 282 HD2 -3.21 0.10 0.15 -0.04 3.68 0.68 2f28A1 PRO 282 HD3 -0.90 0.15 0.14 -0.04 3.65 3.00 2f28A1 ARG 283 H -0.43 0.15 -0.73 -0.55 8.46 6.91 2f28A1 ARG 283 HA -0.11 0.21 0.71 -0.75 4.34 4.39 2f28A1 ARG 283 HB2 -0.03 0.09 -0.03 -0.04 1.90 1.89 2f28A1 ARG 283 HB3 -0.00 -0.00 0.10 -0.04 1.80 1.85 2f28A1 ARG 283 HG2 -0.03 0.04 -0.09 -0.04 1.67 1.56 2f28A1 ARG 283 HG3 -0.15 -0.08 -0.31 -0.04 1.67 1.09 2f28A1 ARG 283 HD2 0.45 0.05 -0.05 -0.04 3.22 3.63 2f28A1 ARG 283 HD3 0.13 -0.02 -0.00 -0.04 3.22 3.29 2f28A1 SER 288 HA 0.02 -0.10 0.18 -0.75 4.49 3.83 2f28A1 SER 288 HB2 0.02 0.04 0.13 -0.04 3.95 4.10 2f28A1 SER 288 HB3 0.01 -0.08 -0.01 -0.04 3.93 3.81 2f28A1 PRO 289 HA 0.02 -0.08 0.54 -0.51 4.44 4.41 2f28A1 PRO 289 HB2 0.08 0.06 0.11 -0.04 2.28 2.49 2f28A1 PRO 289 HB3 0.02 -0.01 0.19 -0.04 2.02 2.17 2f28A1 PRO 289 HG2 0.32 -0.01 0.09 -0.04 2.03 2.38 2f28A1 PRO 289 HG3 0.05 0.25 0.28 -0.04 2.03 2.57 2f28A1 PRO 289 HD2 0.12 0.27 0.23 -0.04 3.68 4.26 2f28A1 PRO 289 HD3 0.03 -0.03 0.22 -0.04 3.65 3.84 2f28A1 ALA 290 H 0.01 0.03 0.26 -0.55 8.40 8.16 2f28A1 ALA 290 HA -0.03 0.17 0.54 -0.75 4.34 4.26 2f28A1 ALA 290 HB3 -0.00 -0.03 0.15 -0.04 1.41 1.48 2f28A1 GLN 291 H 0.02 0.08 0.02 -0.55 8.47 8.05 2f28A1 GLN 291 HA -0.12 0.20 1.14 -0.75 4.36 4.83 2f28A1 GLN 291 HB2 0.01 -0.15 0.09 -0.04 2.15 2.06 2f28A1 GLN 291 HB3 -0.02 0.10 0.12 -0.04 2.02 2.18 2f28A1 GLN 291 HG2 0.04 0.04 -0.04 -0.04 2.40 2.39 2f28A1 GLN 291 HG3 -0.01 0.08 -0.22 -0.04 2.39 2.21 2f28A1 GLN 291 HE21 0.02 -0.03 -0.07 -0.04 6.97 6.84 2f28A1 GLN 291 HE22 0.01 0.09 -0.13 -0.04 7.69 7.63 2f28A1 TRP 292 H -0.34 0.60 0.33 -0.55 7.97 8.02 2f28A1 TRP 292 HA -0.30 0.26 0.88 -0.75 4.62 4.71 2f28A1 TRP 292 HB2 -1.22 0.00 -0.03 -0.04 3.23 1.95 2f28A1 TRP 292 HB3 -0.42 -0.01 -0.01 -0.04 3.23 2.76 2f28A1 TRP 292 HD1 -0.21 0.20 -0.50 -0.04 7.22 6.67 2f28A1 TRP 292 HE1 -0.11 0.14 -0.03 -0.04 10.20 10.16 2f28A1 TRP 292 HE3 0.11 -0.02 -0.08 -0.04 7.59 7.56 2f28A1 TRP 292 HZ2 -0.07 0.04 -0.04 -0.04 7.44 7.32 2f28A1 TRP 292 HZ3 0.02 -0.02 -0.04 -0.04 7.13 7.04 2f28A1 TRP 292 HH2 -0.06 0.02 -0.04 -0.04 7.19 7.07 2f28A1 LEU 293 H -0.15 0.45 0.30 -0.55 8.37 8.43 2f28A1 LEU 293 HA 0.19 0.31 1.16 -0.75 4.35 5.25 2f28A1 LEU 293 HB2 -0.29 -0.07 0.05 -0.04 1.64 1.29 2f28A1 LEU 293 HB3 0.31 0.06 -0.06 -0.04 1.64 1.91 2f28A1 LEU 293 HG -0.06 -0.03 -0.24 -0.04 1.64 1.27 2f28A1 LEU 293 HD13 0.04 -0.01 -0.16 -0.04 0.93 0.76 2f28A1 LEU 293 HD23 0.15 0.01 -0.24 -0.04 0.89 0.77 2f28A1 LEU 294 H 0.39 0.63 0.33 -0.55 8.37 9.17 2f28A1 LEU 294 HA 0.39 0.33 0.93 -0.75 4.35 5.26 2f28A1 LEU 294 HB2 0.16 -0.02 -0.13 -0.04 1.64 1.61 2f28A1 LEU 294 HB3 0.09 -0.06 -0.01 -0.04 1.64 1.62 2f28A1 LEU 294 HG 0.10 0.02 -0.24 -0.04 1.64 1.48 2f28A1 LEU 294 HD13 0.22 0.06 -0.10 -0.04 0.93 1.08 2f28A1 LEU 294 HD23 -0.96 -0.02 -0.20 -0.04 0.89 -0.33 2f28A1 TYR 295 H 0.50 0.54 0.31 -0.55 8.29 9.09 2f28A1 TYR 295 HA 0.15 0.32 1.02 -0.75 4.56 5.29 2f28A1 TYR 295 HB2 0.06 -0.03 -0.08 -0.04 3.06 2.96 2f28A1 TYR 295 HB3 -0.11 -0.05 -0.08 -0.04 2.98 2.70 2f28A1 TYR 295 HD2 -0.38 -0.05 -0.25 -0.04 7.15 6.42 2f28A1 TYR 295 HE2 -0.67 0.01 -0.21 -0.04 6.85 5.93 2f28A1 THR 296 H -0.28 0.47 0.34 -0.55 8.28 8.26 2f28A1 THR 296 HA -0.06 0.50 1.16 -0.75 4.39 5.24 2f28A1 THR 296 HB -0.07 -0.01 -0.07 -0.04 4.32 4.13 2f28A1 THR 296 HG23 0.07 -0.02 -0.25 -0.04 1.22 0.98 2f28A1 HIS 297 H -0.04 0.46 0.30 -0.55 8.41 8.59 2f28A1 HIS 297 HA -0.17 0.12 0.50 -0.75 4.63 4.33 2f28A1 HIS 297 HB2 -0.70 0.03 -0.18 -0.04 3.26 2.38 2f28A1 HIS 297 HB3 -0.25 -0.02 -0.20 -0.04 3.20 2.68 2f28A1 HIS 297 HD2 -0.08 -0.10 -0.33 -0.04 6.97 6.42 2f28A1 HIS 297 HE1 0.02 -0.09 -0.02 -0.04 7.75 7.61 2f28A1 PRO 298 HA -0.04 -0.00 0.24 -0.51 4.44 4.13 2f28A1 PRO 298 HB2 -0.08 0.10 0.05 -0.04 2.28 2.31 2f28A1 PRO 298 HB3 -0.07 -0.12 0.09 -0.04 2.02 1.88 2f28A1 PRO 298 HG2 -0.20 -0.01 0.03 -0.04 2.03 1.81 2f28A1 PRO 298 HG3 -0.14 -0.02 -0.22 -0.04 2.03 1.61 2f28A1 PRO 298 HD2 -1.35 0.15 0.11 -0.04 3.68 2.56 2f28A1 PRO 298 HD3 -0.38 0.23 0.10 -0.04 3.65 3.56 2f28A1 THR 299 H 0.03 0.44 0.33 -0.55 8.28 8.54 2f28A1 THR 299 HA 0.19 0.28 0.93 -0.75 4.39 5.04 2f28A1 THR 299 HB 0.02 -0.07 0.12 -0.04 4.32 4.36 2f28A1 THR 299 HG23 0.01 0.01 -0.07 -0.04 1.22 1.13 2f28A1 HIS 300 H 0.10 0.21 0.09 -0.55 8.41 8.26 2f28A1 HIS 300 HA -0.05 0.01 0.53 -0.75 4.63 4.38 2f28A1 HIS 300 HB2 -0.13 0.01 0.04 -0.04 3.26 3.14 2f28A1 HIS 300 HB3 -0.16 0.32 0.13 -0.04 3.20 3.45 2f28A1 HIS 300 HD2 -0.19 -0.00 -0.04 -0.04 6.97 6.69 2f28A1 HIS 300 HE1 -1.74 0.08 -0.03 -0.04 7.75 6.01 2f28A1 SER 301 H -0.30 0.06 0.16 -0.55 8.46 7.83 2f28A1 SER 301 HA 0.12 0.21 0.32 -0.75 4.49 4.39 2f28A1 SER 301 HB2 0.24 0.00 0.09 -0.04 3.95 4.24 2f28A1 SER 301 HB3 0.20 0.04 0.07 -0.04 3.93 4.19 2f28A1 TRP 302 H 0.44 -0.17 -0.17 -0.55 7.97 7.53 2f28A1 TRP 302 HA 0.10 0.25 0.71 -0.75 4.62 4.93 2f28A1 TRP 302 HB2 0.06 0.08 0.14 -0.04 3.23 3.47 2f28A1 TRP 302 HB3 0.08 0.08 -0.11 -0.04 3.23 3.24 2f28A1 TRP 302 HD1 0.11 -0.03 -0.12 -0.04 7.22 7.13 2f28A1 TRP 302 HE1 0.17 -0.02 -0.03 -0.04 10.20 10.27 2f28A1 TRP 302 HE3 0.02 0.09 -0.07 -0.04 7.59 7.59 2f28A1 TRP 302 HZ2 0.08 -0.02 -0.03 -0.04 7.44 7.43 2f28A1 TRP 302 HZ3 -0.00 -0.01 -0.04 -0.04 7.13 7.04 2f28A1 TRP 302 HH2 0.01 -0.02 -0.03 -0.04 7.19 7.11 2f28A1 GLN 303 H -0.14 -0.04 -0.05 -0.55 8.47 7.70 2f28A1 GLN 303 HA -0.25 0.27 0.89 -0.75 4.36 4.52 2f28A1 GLN 303 HB2 -1.55 -0.09 -0.05 -0.04 2.15 0.42 2f28A1 GLN 303 HB3 -0.60 0.00 -0.09 -0.04 2.02 1.30 2f28A1 GLN 303 HG2 -0.79 0.09 -0.07 -0.04 2.40 1.60 2f28A1 GLN 303 HG3 -2.25 -0.05 -0.28 -0.04 2.39 -0.24 2f28A1 GLN 303 HE21 -0.50 -0.01 -0.04 -0.04 6.97 6.37 2f28A1 GLN 303 HE22 -2.40 0.02 -0.07 -0.04 7.69 5.20 2f28A1 ARG 304 H -0.15 0.14 0.06 -0.55 8.46 7.97 2f28A1 ARG 304 HA -0.07 0.20 0.71 -0.75 4.34 4.43 2f28A1 ARG 304 HB2 -0.04 -0.13 0.25 -0.04 1.90 1.93 2f28A1 ARG 304 HB3 -0.04 0.25 0.27 -0.04 1.80 2.23 2f28A1 ARG 304 HG2 -0.00 0.10 -0.01 -0.04 1.67 1.72 2f28A1 ARG 304 HG3 0.03 -0.00 -0.06 -0.04 1.67 1.60 2f28A1 ARG 304 HD2 0.17 -0.08 0.04 -0.04 3.22 3.31 2f28A1 ARG 304 HD3 0.17 -0.10 0.08 -0.04 3.22 3.33 2f28A1 ALA 305 H -0.08 0.43 0.08 -0.55 8.40 8.28 2f28A1 ALA 305 HA -0.10 0.10 0.72 -0.75 4.34 4.30 2f28A1 ALA 305 HB3 -0.17 -0.04 -0.19 -0.04 1.41 0.98 2f28A1 ASP 306 H -0.07 0.61 0.20 -0.55 8.40 8.59 2f28A1 ASP 306 HA -0.08 0.24 0.53 -0.75 4.63 4.57 2f28A1 ASP 306 HB2 -0.01 0.05 0.05 -0.04 2.71 2.76 2f28A1 ASP 306 HB3 -0.05 0.06 0.07 -0.04 2.70 2.74 2f28A1 LEU 307 H -0.15 0.22 0.06 -0.55 8.37 7.95 2f28A1 LEU 307 HA -0.11 0.11 0.20 -0.75 4.35 3.80 2f28A1 LEU 307 HB2 -0.31 -0.01 -0.05 -0.04 1.64 1.22 2f28A1 LEU 307 HB3 -0.39 -0.11 0.00 -0.04 1.64 1.10 2f28A1 LEU 307 HG -0.21 0.08 -0.28 -0.04 1.64 1.19 2f28A1 LEU 307 HD13 -0.13 0.01 -0.30 -0.04 0.93 0.46 2f28A1 LEU 307 HD23 -0.66 -0.02 -0.23 -0.04 0.89 -0.05 2f28A1 GLY 308 H -0.02 0.64 0.31 -0.55 8.43 8.81 2f28A1 GLY 308 HA2 -0.17 0.13 1.09 -0.51 4.01 4.56 2f28A1 GLY 308 HA3 -0.16 0.05 0.26 -0.51 4.01 3.65 2f28A1 ALA 309 H -0.17 0.60 0.35 -0.55 8.40 8.63 2f28A1 ALA 309 HA 0.17 0.32 1.03 -0.75 4.34 5.11 2f28A1 ALA 309 HB3 -0.00 -0.02 -0.01 -0.04 1.41 1.33 2f28A1 TYR 310 H 0.57 0.68 0.37 -0.55 8.29 9.36 2f28A1 TYR 310 HA 0.39 0.22 0.89 -0.75 4.56 5.30 2f28A1 TYR 310 HB2 0.30 -0.07 -0.06 -0.04 3.06 3.19 2f28A1 TYR 310 HB3 0.41 0.05 -0.09 -0.04 2.98 3.31 2f28A1 TYR 310 HD2 0.14 0.20 -0.21 -0.04 7.15 7.24 2f28A1 TYR 310 HE2 0.03 0.13 -0.04 -0.04 6.85 6.93 2f28A1 LEU 311 H 0.33 0.21 0.16 -0.55 8.37 8.52 2f28A1 LEU 311 HA 0.18 0.37 1.06 -0.75 4.35 5.21 2f28A1 LEU 311 HB2 -0.81 -0.01 -0.10 -0.04 1.64 0.68 2f28A1 LEU 311 HB3 -0.40 -0.02 0.08 -0.04 1.64 1.26 2f28A1 LEU 311 HG -0.43 -0.02 -0.21 -0.04 1.64 0.93 2f28A1 LEU 311 HD13 0.42 0.07 -0.04 -0.04 0.93 1.34 2f28A1 LEU 311 HD23 -0.28 -0.00 -0.07 -0.04 0.89 0.50 2f28A1 ASN 312 H -0.30 0.55 0.20 -0.55 8.53 8.44 2f28A1 ASN 312 HA -0.68 0.37 0.76 -0.75 4.76 4.45 2f28A1 ASN 312 HB2 -3.02 0.04 -0.23 -0.04 2.88 -0.37 2f28A1 ASN 312 HB3 -1.08 -0.10 0.08 -0.04 2.79 1.65 2f28A1 ASN 312 HD21 -0.77 0.27 -0.44 -0.04 7.03 6.04 2f28A1 ASN 312 HD22 -2.60 0.00 -0.31 -0.04 7.74 4.79 2f28A1 PRO 313 HA -2.14 0.10 0.62 -0.51 4.44 2.50 2f28A1 PRO 313 HB2 -0.92 0.05 0.06 -0.04 2.28 1.43 2f28A1 PRO 313 HB3 -1.94 -0.01 0.04 -0.04 2.02 0.08 2f28A1 PRO 313 HG2 -0.47 0.02 -0.05 -0.04 2.03 1.49 2f28A1 PRO 313 HG3 -0.51 0.03 0.01 -0.04 2.03 1.52 2f28A1 PRO 313 HD2 -0.50 0.40 0.15 -0.04 3.68 3.69 2f28A1 PRO 313 HD3 -0.59 0.10 -0.11 -0.04 3.65 3.01 2f28A1 ARG 314 H -0.49 0.04 -0.42 -0.55 8.46 7.04 2f28A1 ARG 314 HA -0.17 0.24 0.71 -0.75 4.34 4.36 2f28A1 ARG 314 HB2 -0.22 -0.08 0.09 -0.04 1.90 1.65 2f28A1 ARG 314 HB3 -0.14 -0.02 0.13 -0.04 1.80 1.73 2f28A1 ARG 314 HG2 -0.14 0.17 -0.07 -0.04 1.67 1.59 2f28A1 ARG 314 HG3 -0.26 -0.07 -0.40 -0.04 1.67 0.90 2f28A1 ARG 314 HD2 -0.09 -0.03 -0.00 -0.04 3.22 3.05 2f28A1 ARG 314 HD3 -0.10 0.01 -0.04 -0.04 3.22 3.05 2f28A1 PRO 315 HA -0.30 -0.05 0.36 -0.51 4.44 3.94 2f28A1 PRO 315 HB2 -0.10 -0.01 -0.16 -0.04 2.28 1.98 2f28A1 PRO 315 HB3 -0.28 0.01 -0.03 -0.04 2.02 1.68 2f28A1 PRO 315 HG2 -0.06 0.01 -0.04 -0.04 2.03 1.89 2f28A1 PRO 315 HG3 -0.07 0.04 -0.19 -0.04 2.03 1.77 2f28A1 PRO 315 HD2 -0.12 0.23 -0.07 -0.04 3.68 3.68 2f28A1 PRO 315 HD3 -0.31 0.21 -0.13 -0.04 3.65 3.38 2f28A1 PRO 316 HA -0.17 0.06 0.18 -0.51 4.44 4.00 2f28A1 PRO 316 HB2 0.06 0.03 0.00 -0.04 2.28 2.33 2f28A1 PRO 316 HB3 0.03 0.01 -0.08 -0.04 2.02 1.94 2f28A1 PRO 316 HG2 0.01 0.01 -0.18 -0.04 2.03 1.84 2f28A1 PRO 316 HG3 0.04 -0.02 -0.12 -0.04 2.03 1.89 2f28A1 PRO 316 HD2 -0.02 0.10 0.25 -0.04 3.68 3.97 2f28A1 PRO 316 HD3 -0.01 0.10 -0.21 -0.04 3.65 3.48 2f28A1 ALA 317 H -0.14 0.38 -0.04 -0.55 8.40 8.05 2f28A1 ALA 317 HA -0.04 0.05 0.33 -0.75 4.34 3.93 2f28A1 ALA 317 HB3 -0.11 0.02 0.07 -0.04 1.41 1.34 2f28A1 PRO 318 HA 0.31 0.12 0.37 -0.51 4.44 4.72 2f28A1 PRO 318 HB2 0.04 -0.03 0.06 -0.04 2.28 2.31 2f28A1 PRO 318 HB3 0.07 0.02 0.07 -0.04 2.02 2.13 2f28A1 PRO 318 HG2 0.03 0.02 0.01 -0.04 2.03 2.05 2f28A1 PRO 318 HG3 0.07 0.10 0.01 -0.04 2.03 2.17 2f28A1 PRO 318 HD2 0.01 0.03 0.17 -0.04 3.68 3.84 2f28A1 PRO 318 HD3 0.01 0.18 0.12 -0.04 3.65 3.93 2f28A1 GLU 319 H 0.00 0.09 -0.24 -0.55 8.60 7.90 2f28A1 GLU 319 HA 0.05 0.14 0.55 -0.75 4.29 4.28 2f28A1 GLU 319 HB2 0.00 0.03 0.10 -0.04 2.09 2.18 2f28A1 GLU 319 HB3 0.00 -0.05 0.05 -0.04 1.99 1.95 2f28A1 GLU 319 HG2 -0.04 0.08 -0.30 -0.04 2.34 2.03 2f28A1 GLU 319 HG3 -0.02 -0.02 -0.05 -0.04 2.34 2.21 2f28A1 ALA 320 H -0.12 0.41 -0.49 -0.55 8.40 7.65 2f28A1 ALA 320 HA -0.12 0.15 0.60 -0.75 4.34 4.21 2f28A1 ALA 320 HB3 -0.29 -0.01 -0.03 -0.04 1.41 1.04 2f28A1 TRP 321 H 0.06 0.16 -0.33 -0.55 7.97 7.31 2f28A1 TRP 321 HA -0.07 0.09 0.46 -0.75 4.62 4.35 2f28A1 TRP 321 HB2 -0.06 -0.01 -0.01 -0.04 3.23 3.11 2f28A1 TRP 321 HB3 0.01 0.13 -0.14 -0.04 3.23 3.19 2f28A1 TRP 321 HD1 -0.12 0.15 0.03 -0.04 7.22 7.23 2f28A1 TRP 321 HE1 -0.16 -0.01 -0.21 -0.04 10.20 9.78 2f28A1 TRP 321 HE3 0.05 0.05 -0.40 -0.04 7.59 7.24 2f28A1 TRP 321 HZ2 -0.14 -0.03 -0.21 -0.04 7.44 7.03 2f28A1 TRP 321 HZ3 0.12 0.12 -0.54 -0.04 7.13 6.79 2f28A1 TRP 321 HH2 0.03 -0.03 -0.34 -0.04 7.19 6.81 2f28A1 SER 322 H 0.29 0.41 0.32 -0.55 8.46 8.93 2f28A1 SER 322 HA 0.09 0.06 0.54 -0.75 4.49 4.43 2f28A1 SER 322 HB2 0.11 -0.07 0.20 -0.04 3.95 4.16 2f28A1 SER 322 HB3 -0.01 0.04 0.20 -0.04 3.93 4.13 2f28A1 GLU 323 H 0.11 0.03 0.18 -0.55 8.60 8.36 2f28A1 GLU 323 HA 0.09 0.14 0.57 -0.75 4.29 4.33 2f28A1 GLU 323 HB2 0.05 -0.05 0.09 -0.04 2.09 2.13 2f28A1 GLU 323 HB3 0.01 0.06 0.11 -0.04 1.99 2.13 2f28A1 GLU 323 HG2 0.05 0.05 0.05 -0.04 2.34 2.46 2f28A1 GLU 323 HG3 0.05 -0.05 0.09 -0.04 2.34 2.40 2f28A1 PRO 324 HA -0.33 0.28 0.64 -0.51 4.44 4.53 2f28A1 PRO 324 HB2 -0.59 -0.05 -0.11 -0.04 2.28 1.50 2f28A1 PRO 324 HB3 -2.33 0.06 -0.09 -0.04 2.02 -0.38 2f28A1 PRO 324 HG2 -0.21 -0.06 0.01 -0.04 2.03 1.73 2f28A1 PRO 324 HG3 -0.23 0.07 0.04 -0.04 2.03 1.87 2f28A1 PRO 324 HD2 -0.06 -0.00 0.23 -0.04 3.68 3.81 2f28A1 PRO 324 HD3 -0.05 0.25 0.20 -0.04 3.65 4.01 2f28A1 VAL 325 H -0.21 0.57 0.36 -0.55 8.24 8.41 2f28A1 VAL 325 HA -0.19 0.11 0.86 -0.75 4.13 4.16 2f28A1 VAL 325 HB -0.36 0.04 0.09 -0.04 2.12 1.86 2f28A1 VAL 325 HG13 -0.42 0.08 0.02 -0.04 0.97 0.60 2f28A1 VAL 325 HG23 -0.55 0.04 0.05 -0.04 0.95 0.44 2f28A1 LEU 326 H -0.16 0.13 0.09 -0.55 8.37 7.88 2f28A1 LEU 326 HA -0.17 0.16 0.56 -0.75 4.35 4.15 2f28A1 LEU 326 HB2 -0.12 -0.01 0.12 -0.04 1.64 1.60 2f28A1 LEU 326 HB3 -0.12 -0.05 -0.15 -0.04 1.64 1.28 2f28A1 LEU 326 HG -0.08 -0.06 -0.06 -0.04 1.64 1.39 2f28A1 LEU 326 HD13 -0.10 0.02 -0.23 -0.04 0.93 0.58 2f28A1 LEU 326 HD23 -0.10 0.02 -0.13 -0.04 0.89 0.64 2f28A1 LEU 327 H -0.21 0.68 0.34 -0.55 8.37 8.63 2f28A1 LEU 327 HA -0.28 0.14 0.61 -0.75 4.35 4.07 2f28A1 LEU 327 HB2 -0.29 0.04 -0.15 -0.04 1.64 1.20 2f28A1 LEU 327 HB3 -0.30 -0.06 -0.13 -0.04 1.64 1.10 2f28A1 LEU 327 HG -0.29 0.04 -0.17 -0.04 1.64 1.18 2f28A1 LEU 327 HD13 -0.18 -0.01 -0.26 -0.04 0.93 0.43 2f28A1 LEU 327 HD23 -0.78 0.00 -0.17 -0.04 0.89 -0.10 2f28A1 ALA 328 H -0.19 0.35 0.03 -0.55 8.40 8.05 2f28A1 ALA 328 HA -0.08 0.06 0.46 -0.75 4.34 4.03 2f28A1 ALA 328 HB3 -0.14 0.03 -0.12 -0.04 1.41 1.14 2f28A1 LYS 329 H -0.05 0.14 0.07 -0.55 8.42 8.04 2f28A1 LYS 329 HA -0.06 0.08 0.65 -0.75 4.32 4.24 2f28A1 LYS 329 HB2 -0.03 0.01 0.03 -0.04 1.87 1.84 2f28A1 LYS 329 HB3 -0.04 -0.04 0.09 -0.04 1.79 1.77 2f28A1 LYS 329 HG2 -0.05 0.04 -0.04 -0.04 1.46 1.36 2f28A1 LYS 329 HG3 -0.05 0.01 -0.03 -0.04 1.46 1.35 2f28A1 LYS 329 HD2 -0.03 -0.01 -0.01 -0.04 1.69 1.60 2f28A1 LYS 329 HD3 -0.03 -0.01 -0.00 -0.04 1.68 1.59 2f28A1 LYS 329 HE2 -0.03 -0.01 -0.02 -0.04 2.99 2.90 2f28A1 LYS 329 HE3 -0.04 0.02 -0.03 -0.04 2.99 2.90 2f28A1 GLY 330 H -0.04 0.09 0.19 -0.55 8.43 8.12 2f28A1 GLY 330 HA2 -0.05 0.03 0.37 -0.51 4.01 3.84 2f28A1 GLY 330 HA3 -0.04 0.17 0.64 -0.51 4.01 4.27 2f28A1 SER 331 H -0.06 0.09 0.21 -0.55 8.46 8.15 2f28A1 SER 331 HA -0.11 0.27 0.62 -0.75 4.49 4.51 2f28A1 SER 331 HB2 -0.10 0.09 0.21 -0.04 3.95 4.11 2f28A1 SER 331 HB3 -0.08 -0.13 0.31 -0.04 3.93 3.99 2f28A1 CYS 332 H -0.10 0.59 0.23 -0.55 8.50 8.68 2f28A1 CYS 332 HA 0.05 0.26 0.78 -0.75 4.58 4.91 2f28A1 CYS 332 HB2 -0.08 0.00 -0.18 -0.04 2.97 2.67 2f28A1 CYS 332 HB3 -0.03 0.09 -0.05 -0.04 2.97 2.94 2f28A1 ALA 333 H 0.09 0.47 0.10 -0.55 8.40 8.51 2f28A1 ALA 333 HA 0.03 0.21 0.88 -0.75 4.34 4.71 2f28A1 ALA 333 HB3 0.14 -0.01 0.10 -0.04 1.41 1.59 2f28A1 TYR 334 H 0.42 0.01 0.22 -0.55 8.29 8.39 2f28A1 TYR 334 HA 0.02 0.27 0.46 -0.75 4.56 4.56 2f28A1 TYR 334 HB2 0.10 -0.16 0.20 -0.04 3.06 3.17 2f28A1 TYR 334 HB3 0.08 0.16 0.06 -0.04 2.98 3.25 2f28A1 TYR 334 HD2 0.07 -0.03 0.09 -0.04 7.15 7.25 2f28A1 TYR 334 HE2 0.06 0.06 0.08 -0.04 6.85 7.01 2f28A1 SER 335 H 0.10 0.31 0.15 -0.55 8.46 8.48 2f28A1 SER 335 HA 0.22 0.24 0.89 -0.75 4.49 5.09 2f28A1 SER 335 HB2 0.12 0.02 -0.24 -0.04 3.95 3.81 2f28A1 SER 335 HB3 0.04 0.01 -0.12 -0.04 3.93 3.82 2f28A1 ASP 336 H 0.21 0.49 0.30 -0.55 8.40 8.85 2f28A1 ASP 336 HA 0.22 0.14 0.68 -0.75 4.63 4.92 2f28A1 ASP 336 HB2 0.23 0.24 -0.17 -0.04 2.71 2.97 2f28A1 ASP 336 HB3 0.25 -0.14 -0.00 -0.04 2.70 2.77 2f28A1 LEU 337 H 0.21 0.20 0.18 -0.55 8.37 8.42 2f28A1 LEU 337 HA 0.16 0.32 1.09 -0.75 4.35 5.17 2f28A1 LEU 337 HB2 0.14 -0.00 -0.08 -0.04 1.64 1.66 2f28A1 LEU 337 HB3 0.11 0.01 -0.10 -0.04 1.64 1.62 2f28A1 LEU 337 HG 0.12 -0.08 -0.25 -0.04 1.64 1.39 2f28A1 LEU 337 HD13 0.12 0.00 -0.35 -0.04 0.93 0.66 2f28A1 LEU 337 HD23 0.13 0.02 -0.16 -0.04 0.89 0.84 2f28A1 GLN 338 H 0.12 0.54 0.31 -0.55 8.47 8.90 2f28A1 GLN 338 HA 0.00 0.13 0.71 -0.75 4.36 4.45 2f28A1 GLN 338 HB2 0.16 -0.07 -0.08 -0.04 2.15 2.12 2f28A1 GLN 338 HB3 0.11 0.10 -0.06 -0.04 2.02 2.13 2f28A1 GLN 338 HG2 0.13 0.09 -0.42 -0.04 2.40 2.16 2f28A1 GLN 338 HG3 0.22 -0.21 -0.48 -0.04 2.39 1.89 2f28A1 GLN 338 HE21 -0.22 -0.04 0.28 -0.04 6.97 6.94 2f28A1 GLN 338 HE22 -0.45 0.50 0.44 -0.04 7.69 8.14 2f28A1 SER 339 H 0.07 0.16 0.22 -0.55 8.46 8.36 2f28A1 SER 339 HA -0.10 0.20 0.81 -0.75 4.49 4.64 2f28A1 SER 339 HB2 -0.15 0.01 0.18 -0.04 3.95 3.94 2f28A1 SER 339 HB3 0.18 0.07 0.15 -0.04 3.93 4.29 2f28A1 MET 340 H -0.52 0.75 0.18 -0.55 8.47 8.33 2f28A1 MET 340 HA -1.74 0.15 0.78 -0.75 4.52 2.95 2f28A1 MET 340 HB2 -0.52 -0.02 -0.24 -0.04 2.15 1.33 2f28A1 MET 340 HB3 -0.75 -0.02 -0.03 -0.04 2.03 1.19 2f28A1 MET 340 HG2 -0.44 0.01 -0.34 -0.04 2.63 1.82 2f28A1 MET 340 HG3 -0.29 0.05 -0.61 -0.04 2.56 1.67 2f28A1 MET 340 HE3 -0.04 -0.00 -0.23 -0.04 2.10 1.78 2f28A1 GLY 341 H -0.33 0.09 -0.05 -0.55 8.43 7.60 2f28A1 GLY 341 HA2 -0.13 0.03 0.32 -0.51 4.01 3.72 2f28A1 GLY 341 HA3 -0.16 0.14 0.57 -0.51 4.01 4.06 2f28A1 THR 342 H -0.12 0.17 0.16 -0.55 8.28 7.94 2f28A1 THR 342 HA -0.18 0.07 0.78 -0.75 4.39 4.31 2f28A1 THR 342 HB -0.06 -0.01 0.06 -0.04 4.32 4.27 2f28A1 THR 342 HG23 -0.06 0.07 -0.25 -0.04 1.22 0.94 2f28A1 GLY 343 H -0.17 0.64 0.14 -0.55 8.43 8.49 2f28A1 GLY 343 HA2 -0.12 0.17 0.45 -0.51 4.01 4.00 2f28A1 GLY 343 HA3 -0.13 -0.04 0.25 -0.51 4.01 3.58 2f28A1 PRO 344 HA -0.03 0.12 0.38 -0.51 4.44 4.41 2f28A1 PRO 344 HB2 -0.17 -0.01 0.01 -0.04 2.28 2.08 2f28A1 PRO 344 HB3 -0.16 0.07 0.07 -0.04 2.02 1.97 2f28A1 PRO 344 HG2 -0.10 0.11 0.07 -0.04 2.03 2.06 2f28A1 PRO 344 HG3 0.09 0.08 0.08 -0.04 2.03 2.24 2f28A1 PRO 344 HD2 -0.03 0.04 0.15 -0.04 3.68 3.80 2f28A1 PRO 344 HD3 0.06 0.16 0.18 -0.04 3.65 4.01 2f28A1 ASP 345 H -0.08 0.03 -0.30 -0.55 8.40 7.50 2f28A1 ASP 345 HA -0.06 0.21 0.62 -0.75 4.63 4.64 2f28A1 ASP 345 HB2 -0.10 0.05 0.10 -0.04 2.71 2.73 2f28A1 ASP 345 HB3 -0.08 0.03 0.02 -0.04 2.70 2.63 2f28A1 GLY 346 H -0.06 0.54 -0.44 -0.55 8.43 7.92 2f28A1 GLY 346 HA2 -0.03 0.05 0.25 -0.51 4.01 3.77 2f28A1 GLY 346 HA3 -0.02 0.15 0.64 -0.51 4.01 4.27 2f28A1 SER 347 H -0.10 -0.07 -0.30 -0.55 8.46 7.43 2f28A1 SER 347 HA 0.02 0.32 0.79 -0.75 4.49 4.86 2f28A1 SER 347 HB2 0.03 0.10 0.09 -0.04 3.95 4.13 2f28A1 SER 347 HB3 -0.32 0.11 -0.06 -0.04 3.93 3.63 2f28A1 PRO 348 HA -0.32 0.16 0.53 -0.51 4.44 4.31 2f28A1 PRO 348 HB2 -0.50 -0.07 0.06 -0.04 2.28 1.72 2f28A1 PRO 348 HB3 -0.54 0.09 0.07 -0.04 2.02 1.60 2f28A1 PRO 348 HG2 0.11 0.13 0.05 -0.04 2.03 2.28 2f28A1 PRO 348 HG3 -0.03 0.11 0.07 -0.04 2.03 2.14 2f28A1 PRO 348 HD2 0.11 0.01 0.20 -0.04 3.68 3.96 2f28A1 PRO 348 HD3 0.06 0.23 0.23 -0.04 3.65 4.13 2f28A1 LEU 349 H -0.51 0.70 0.30 -0.55 8.37 8.32 2f28A1 LEU 349 HA -0.42 0.08 0.76 -0.75 4.35 4.01 2f28A1 LEU 349 HB2 -0.32 -0.07 -0.31 -0.04 1.64 0.91 2f28A1 LEU 349 HB3 -0.45 0.05 -0.40 -0.04 1.64 0.80 2f28A1 LEU 349 HG -0.34 0.02 -0.31 -0.04 1.64 0.97 2f28A1 LEU 349 HD13 -0.14 -0.01 -0.12 -0.04 0.93 0.61 2f28A1 LEU 349 HD23 -0.57 0.05 -0.21 -0.04 0.89 0.12 2f28A1 PHE 350 H -0.42 0.64 0.37 -0.55 8.34 8.37 2f28A1 PHE 350 HA -0.31 0.21 1.08 -0.75 4.62 4.85 2f28A1 PHE 350 HB2 -1.31 -0.00 -0.05 -0.04 3.15 1.75 2f28A1 PHE 350 HB3 -0.44 0.04 -0.08 -0.04 3.06 2.54 2f28A1 PHE 350 HD2 -0.28 0.02 -0.23 -0.04 7.28 6.75 2f28A1 PHE 350 HE2 -0.29 -0.03 -0.16 -0.04 7.38 6.86 2f28A1 PHE 350 HZ -1.92 0.03 -0.16 -0.04 7.32 5.23 2f28A1 GLY 351 H 0.04 0.69 0.34 -0.55 8.43 8.95 2f28A1 GLY 351 HA2 -0.05 0.26 1.04 -0.51 4.01 4.75 2f28A1 GLY 351 HA3 0.29 -0.04 0.27 -0.51 4.01 4.02 2f28A1 CYS 352 H -0.06 0.65 0.34 -0.55 8.50 8.88 2f28A1 CYS 352 HA 0.22 0.32 0.99 -0.75 4.58 5.37 2f28A1 CYS 352 HB2 0.28 -0.01 -0.22 -0.04 2.97 2.99 2f28A1 CYS 352 HB3 0.26 -0.05 0.02 -0.04 2.97 3.16 2f28A1 LEU 353 H 0.27 0.63 0.29 -0.55 8.37 9.01 2f28A1 LEU 353 HA 0.23 0.32 0.94 -0.75 4.35 5.07 2f28A1 LEU 353 HB2 0.30 -0.04 -0.09 -0.04 1.64 1.78 2f28A1 LEU 353 HB3 0.23 -0.04 -0.02 -0.04 1.64 1.77 2f28A1 LEU 353 HG 0.14 -0.01 -0.21 -0.04 1.64 1.52 2f28A1 LEU 353 HD13 0.08 0.02 -0.21 -0.04 0.93 0.78 2f28A1 LEU 353 HD23 0.20 -0.02 -0.16 -0.04 0.89 0.86 2f28A1 TYR 354 H -0.09 0.56 0.27 -0.55 8.29 8.49 2f28A1 TYR 354 HA 0.10 0.28 0.95 -0.75 4.56 5.14 2f28A1 TYR 354 HB2 0.04 0.13 -0.02 -0.04 3.06 3.16 2f28A1 TYR 354 HB3 0.06 -0.05 -0.29 -0.04 2.98 2.66 2f28A1 TYR 354 HD2 0.02 0.12 -0.33 -0.04 7.15 6.92 2f28A1 TYR 354 HE2 -0.02 0.00 -0.22 -0.04 6.85 6.58 2f28A1 GLU 355 H 0.20 0.64 0.24 -0.55 8.60 9.13 2f28A1 GLU 355 HA 0.01 0.22 0.76 -0.75 4.29 4.53 2f28A1 GLU 355 HB2 0.10 -0.19 0.19 -0.04 2.09 2.16 2f28A1 GLU 355 HB3 0.09 0.04 0.12 -0.04 1.99 2.20 2f28A1 GLU 355 HG2 0.09 0.06 0.04 -0.04 2.34 2.49 2f28A1 GLU 355 HG3 0.16 0.15 0.13 -0.04 2.34 2.74 2f28A1 ALA 356 H -0.06 0.71 0.35 -0.55 8.40 8.85 2f28A1 ALA 356 HA -0.02 0.18 0.72 -0.75 4.34 4.47 2f28A1 ALA 356 HB3 0.03 0.01 -0.10 -0.04 1.41 1.31 2f28A1 ASN 357 H -0.04 0.51 0.18 -0.55 8.53 8.63 2f28A1 ASN 357 HA -0.05 -0.00 0.41 -0.75 4.76 4.36 2f28A1 ASN 357 HB2 -0.03 0.03 -0.04 -0.04 2.88 2.80 2f28A1 ASN 357 HB3 -0.04 0.08 -0.07 -0.04 2.79 2.72 2f28A1 ASN 357 HD21 -0.03 0.01 0.01 -0.04 7.03 6.99 2f28A1 ASN 357 HD22 -0.03 -0.00 -0.01 -0.04 7.74 7.65 2f28A1 ASP 358 H -0.16 0.07 -0.03 -0.55 8.40 7.73 2f28A1 ASP 358 HA -0.21 0.04 0.27 -0.75 4.63 3.97 2f28A1 ASP 358 HB2 0.01 -0.09 -0.09 -0.04 2.71 2.50 2f28A1 ASP 358 HB3 0.09 0.16 0.10 -0.04 2.70 3.01 2f28A1 TYR 359 H -0.38 -0.02 -0.47 -0.55 8.29 6.88 2f28A1 TYR 359 HA 0.04 -0.02 0.26 -0.75 4.56 4.08 2f28A1 TYR 359 HB2 0.26 0.22 0.03 -0.04 3.06 3.53 2f28A1 TYR 359 HB3 0.07 0.04 0.16 -0.04 2.98 3.21 2f28A1 TYR 359 HD2 -0.00 0.07 -0.17 -0.04 7.15 7.01 2f28A1 TYR 359 HE2 -0.04 -0.02 -0.02 -0.04 6.85 6.73 2f28A1 GLU 360 H -0.01 0.40 -0.28 -0.55 8.60 8.17 2f28A1 GLU 360 HA -0.12 0.21 0.80 -0.75 4.29 4.43 2f28A1 GLU 360 HB2 -0.05 0.09 0.15 -0.04 2.09 2.23 2f28A1 GLU 360 HB3 -0.08 -0.20 0.09 -0.04 1.99 1.75 2f28A1 GLU 360 HG2 -0.37 -0.01 0.09 -0.04 2.34 2.01 2f28A1 GLU 360 HG3 -0.10 0.20 -0.00 -0.04 2.34 2.40 2f28A1 GLU 361 H 0.01 0.30 0.01 -0.55 8.60 8.37 2f28A1 GLU 361 HA 0.05 0.14 0.58 -0.75 4.29 4.32 2f28A1 GLU 361 HB2 -0.04 0.04 0.09 -0.04 2.09 2.14 2f28A1 GLU 361 HB3 -0.02 0.03 -0.13 -0.04 1.99 1.82 2f28A1 GLU 361 HG2 -0.04 0.05 -0.23 -0.04 2.34 2.07 2f28A1 GLU 361 HG3 -0.09 -0.06 -0.30 -0.04 2.34 1.85 2f28A1 ILE 362 H 0.02 0.64 0.27 -0.55 8.25 8.62 2f28A1 ILE 362 HA -0.07 0.24 0.80 -0.75 4.18 4.39 2f28A1 ILE 362 HB 0.25 -0.08 0.02 -0.04 1.89 2.04 2f28A1 ILE 362 HG12 0.05 0.00 -0.22 -0.04 1.49 1.28 2f28A1 ILE 362 HG13 0.08 0.01 -0.51 -0.04 1.21 0.75 2f28A1 ILE 362 HG23 0.09 0.00 -0.30 -0.04 0.93 0.68 2f28A1 ILE 362 HD13 -0.09 -0.01 -0.40 -0.04 0.88 0.33 2f28A1 VAL 363 H -0.45 0.77 0.26 -0.55 8.24 8.26 2f28A1 VAL 363 HA -0.17 0.08 1.01 -0.75 4.13 4.29 2f28A1 VAL 363 HB -1.25 0.04 -0.02 -0.04 2.12 0.86 2f28A1 VAL 363 HG13 -0.05 -0.00 -0.33 -0.04 0.97 0.55 2f28A1 VAL 363 HG23 -0.21 -0.02 -0.21 -0.04 0.95 0.46 2f28A1 PHE 364 H 0.04 0.80 0.38 -0.55 8.34 9.01 2f28A1 PHE 364 HA 0.07 0.30 1.03 -0.75 4.62 5.27 2f28A1 PHE 364 HB2 -0.21 -0.03 -0.01 -0.04 3.15 2.87 2f28A1 PHE 364 HB3 0.01 -0.00 0.14 -0.04 3.06 3.17 2f28A1 PHE 364 HD2 0.36 -0.01 -0.19 -0.04 7.28 7.40 2f28A1 PHE 364 HE2 0.27 -0.06 -0.16 -0.04 7.38 7.38 2f28A1 PHE 364 HZ 0.17 -0.00 -0.17 -0.04 7.32 7.27 2f28A1 LEU 365 H -0.24 0.77 0.38 -0.55 8.37 8.73 2f28A1 LEU 365 HA -0.12 0.33 1.06 -0.75 4.35 4.87 2f28A1 LEU 365 HB2 0.23 -0.04 -0.13 -0.04 1.64 1.67 2f28A1 LEU 365 HB3 0.17 -0.05 0.05 -0.04 1.64 1.77 2f28A1 LEU 365 HG 0.19 -0.03 -0.16 -0.04 1.64 1.60 2f28A1 LEU 365 HD13 0.06 0.05 0.04 -0.04 0.93 1.04 2f28A1 LEU 365 HD23 -0.07 0.01 -0.14 -0.04 0.89 0.65 2f28A1 MET 366 H -0.09 0.60 0.36 -0.55 8.47 8.79 2f28A1 MET 366 HA -0.19 0.39 1.14 -0.75 4.52 5.10 2f28A1 MET 366 HB2 -0.09 -0.04 -0.08 -0.04 2.15 1.91 2f28A1 MET 366 HB3 0.07 -0.08 0.12 -0.04 2.03 2.10 2f28A1 MET 366 HG2 0.04 -0.08 -0.18 -0.04 2.63 2.38 2f28A1 MET 366 HG3 -0.04 0.24 0.03 -0.04 2.56 2.75 2f28A1 MET 366 HE3 0.32 -0.03 -0.24 -0.04 2.10 2.11 2f28A1 PHE 367 H -0.39 0.65 0.33 -0.55 8.34 8.39 2f28A1 PHE 367 HA 0.02 -0.02 0.76 -0.75 4.62 4.62 2f28A1 PHE 367 HB2 0.02 0.08 0.14 -0.04 3.15 3.34 2f28A1 PHE 367 HB3 -0.01 0.03 -0.14 -0.04 3.06 2.90 2f28A1 PHE 367 HD2 0.04 0.04 -0.39 -0.04 7.28 6.94 2f28A1 PHE 367 HE2 0.01 0.00 -0.26 -0.04 7.38 7.09 2f28A1 PHE 367 HZ -0.07 0.01 -0.23 -0.04 7.32 6.99 2f28A1 THR 368 H 0.19 0.14 0.20 -0.55 8.28 8.25 2f28A1 THR 368 HA -0.08 0.40 1.09 -0.75 4.39 5.05 2f28A1 THR 368 HB -0.08 0.03 -0.02 -0.04 4.32 4.21 2f28A1 THR 368 HG23 -0.07 -0.01 -0.09 -0.04 1.22 1.01 2f28A1 LEU 369 H 0.07 0.54 0.13 -0.55 8.37 8.57 2f28A1 LEU 369 HA 0.53 0.10 0.34 -0.75 4.35 4.56 2f28A1 LEU 369 HB2 0.34 0.07 0.09 -0.04 1.64 2.09 2f28A1 LEU 369 HB3 0.30 -0.03 0.04 -0.04 1.64 1.91 2f28A1 LEU 369 HG 0.59 0.01 -0.09 -0.04 1.64 2.10 2f28A1 LEU 369 HD13 0.43 0.00 -0.07 -0.04 0.93 1.26 2f28A1 LEU 369 HD23 0.47 0.02 -0.04 -0.04 0.89 1.30 2f28A1 LYS 370 H -0.09 0.01 -0.24 -0.55 8.42 7.55 2f28A1 LYS 370 HA -0.24 0.19 0.21 -0.75 4.32 3.73 2f28A1 LYS 370 HB2 -0.97 0.02 -0.02 -0.04 1.87 0.86 2f28A1 LYS 370 HB3 -0.27 -0.10 -0.04 -0.04 1.79 1.33 2f28A1 LYS 370 HG2 -0.16 0.03 -0.23 -0.04 1.46 1.05 2f28A1 LYS 370 HG3 -0.39 0.04 -0.03 -0.04 1.46 1.05 2f28A1 LYS 370 HD2 -0.41 0.05 -0.05 -0.04 1.69 1.23 2f28A1 LYS 370 HD3 -0.20 -0.05 -0.06 -0.04 1.68 1.34 2f28A1 LYS 370 HE2 -0.05 -0.01 -0.04 -0.04 2.99 2.85 2f28A1 LYS 370 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.91 2f28A1 GLN 371 H 0.04 -0.05 -0.38 -0.55 8.47 7.54 2f28A1 GLN 371 HA 0.00 0.06 0.38 -0.75 4.36 4.05 2f28A1 GLN 371 HB2 0.14 -0.06 0.17 -0.04 2.15 2.36 2f28A1 GLN 371 HB3 0.03 0.43 0.08 -0.04 2.02 2.53 2f28A1 GLN 371 HG2 0.01 0.04 -0.05 -0.04 2.40 2.36 2f28A1 GLN 371 HG3 0.01 -0.17 0.00 -0.04 2.39 2.19 2f28A1 GLN 371 HE21 0.06 -0.01 -0.42 -0.04 6.97 6.55 2f28A1 GLN 371 HE22 0.02 0.02 -0.21 -0.04 7.69 7.48 2f28A1 ALA 372 H 0.17 0.34 -0.17 -0.55 8.40 8.18 2f28A1 ALA 372 HA -0.25 0.10 0.44 -0.75 4.34 3.87 2f28A1 ALA 372 HB3 -0.12 -0.02 -0.04 -0.04 1.41 1.19 2f28A1 PHE 373 H 0.28 0.59 -0.24 -0.55 8.34 8.41 2f28A1 PHE 373 HA 0.10 0.17 0.84 -0.75 4.62 4.98 2f28A1 PHE 373 HB2 0.29 0.06 0.13 -0.04 3.15 3.58 2f28A1 PHE 373 HB3 0.19 -0.10 0.10 -0.04 3.06 3.21 2f28A1 PHE 373 HD2 0.16 -0.02 -0.06 -0.04 7.28 7.32 2f28A1 PHE 373 HE2 0.10 0.04 -0.12 -0.04 7.38 7.36 2f28A1 PHE 373 HZ 0.11 0.01 -0.47 -0.04 7.32 6.93 2f28A1 PRO 374 HA 0.22 0.08 0.44 -0.51 4.44 4.67 2f28A1 PRO 374 HB2 0.08 -0.03 -0.01 -0.04 2.28 2.28 2f28A1 PRO 374 HB3 0.06 0.09 0.11 -0.04 2.02 2.24 2f28A1 PRO 374 HG2 0.07 -0.08 0.04 -0.04 2.03 2.01 2f28A1 PRO 374 HG3 0.02 0.04 0.03 -0.04 2.03 2.08 2f28A1 PRO 374 HD2 0.01 0.18 -0.06 -0.04 3.68 3.77 2f28A1 PRO 374 HD3 0.01 0.38 -0.28 -0.04 3.65 3.72 2f28A1 ALA 375 H 0.18 0.11 -0.32 -0.55 8.40 7.83 2f28A1 ALA 375 HA 0.11 0.09 0.36 -0.75 4.34 4.15 2f28A1 ALA 375 HB3 0.11 -0.01 0.02 -0.04 1.41 1.50 2f28A1 GLU 376 H 0.28 0.43 -0.38 -0.55 8.60 8.38 2f28A1 GLU 376 HA 0.06 0.04 0.43 -0.75 4.29 4.05 2f28A1 GLU 376 HB2 0.24 -0.07 0.05 -0.04 2.09 2.27 2f28A1 GLU 376 HB3 0.31 0.17 0.01 -0.04 1.99 2.44 2f28A1 GLU 376 HG2 0.23 -0.05 -0.03 -0.04 2.34 2.45 2f28A1 GLU 376 HG3 -0.60 -0.02 -0.08 -0.04 2.34 1.60 2f28A1 TYR 377 H 0.27 0.51 -0.55 -0.55 8.29 7.97 2f28A1 TYR 377 HA 0.07 0.20 0.69 -0.75 4.56 4.76 2f28A1 TYR 377 HB2 0.07 0.07 0.06 -0.04 3.06 3.22 2f28A1 TYR 377 HB3 0.05 -0.04 0.03 -0.04 2.98 2.98 2f28A1 TYR 377 HD2 0.09 0.08 -0.12 -0.04 7.15 7.16 2f28A1 TYR 377 HE2 0.11 0.03 -0.22 -0.04 6.85 6.74