============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. PHE 3 1.000 -18.991 75.982 10.777 -99.200 -91.000 TRP 16 1.040 -2.998 58.013 30.348 -99.200 -91.000 TRP6 16 1.020 -3.781 59.300 28.525 -99.200 -91.000 HIS 17 0.900 -9.754 61.740 34.461 -99.200 -91.000 TYR 19 0.840 -14.876 61.204 29.570 -99.200 -91.000 TYR 40 0.840 -17.214 56.306 16.706 -99.200 -91.000 PHE 50 1.000 -19.164 55.179 26.726 -99.200 -91.000 TYR 51 0.840 -21.237 58.925 18.773 -99.200 -91.000 HIS 63 0.900 -33.064 37.138 15.212 -99.200 -91.000 HIS 69 0.900 -19.341 35.806 9.816 -99.200 -91.000 TYR 74 0.840 -29.675 41.552 8.754 -99.200 -91.000 TRP 80 1.040 -24.361 53.745 24.760 -99.200 -91.000 TRP6 80 1.020 -23.251 52.806 22.893 -99.200 -91.000 TYR 89 0.840 -36.127 48.619 25.724 -99.200 -91.000 TRP 98 1.040 -21.087 47.045 5.786 -99.200 -91.000 TRP6 98 1.020 -19.072 47.822 4.761 -99.200 -91.000 HIS 104 0.900 -21.752 69.424 17.382 -99.200 -91.000 TRP 126 1.040 -26.833 60.002 7.236 -99.200 -91.000 TRP6 126 1.020 -29.147 60.023 7.685 -99.200 -91.000 TYR 127 0.840 -23.435 69.841 9.169 -99.200 -91.000 TRP 138 1.040 -11.592 54.954 -3.636 -99.200 -91.000 TRP6 138 1.020 -12.719 56.114 -1.918 -99.200 -91.000 PHE 161 1.000 -14.563 58.256 3.584 -99.200 -91.000 TYR 175 0.840 -13.567 61.750 -0.295 -99.200 -91.000 TYR 176 0.840 -8.762 67.740 3.392 -99.200 -91.000 PHE 177 1.000 -16.810 64.296 3.765 -99.200 -91.000 TRP 185 1.040 -11.568 63.153 -4.204 -99.200 -91.000 TRP6 185 1.020 -9.865 61.737 -5.010 -99.200 -91.000 HIS 194 0.900 -3.222 48.644 3.588 -99.200 -91.000 TYR 201 0.840 -3.885 63.974 18.763 -99.200 -91.000 TRP 215 1.040 1.191 44.710 2.100 -99.200 -91.000 TRP6 215 1.020 2.029 46.404 0.640 -99.200 -91.000 HIS 232 0.900 -2.577 63.515 2.845 -99.200 -91.000 TYR 236 0.840 4.717 53.068 8.197 -99.200 -91.000 TYR 260 0.840 10.796 46.600 13.284 -99.200 -91.000 PHE 271 1.000 -5.025 55.875 22.297 -99.200 -91.000 TYR 273 0.840 -4.409 61.843 22.612 -99.200 -91.000 TRP 280 1.040 1.771 59.964 28.156 -99.200 -91.000 TRP6 280 1.020 1.811 58.471 29.969 -99.200 -91.000 TYR 293 0.840 -4.797 49.966 24.846 -99.200 -91.000 TRP 321 1.040 -10.540 37.587 26.344 -99.200 -91.000 TRP6 321 1.020 -8.631 36.682 25.228 -99.200 -91.000 TYR 324 0.840 -11.053 47.593 15.662 -99.200 -91.000 PHE 328 1.000 -13.034 60.172 24.254 -99.200 -91.000 TYR 331 0.840 -11.404 68.209 19.784 -99.200 -91.000 TRP 332 1.040 -17.405 72.347 21.378 -99.200 -91.000 TRP6 332 1.020 -17.047 70.281 20.311 -99.200 -91.000 TYR 338 0.840 -8.598 71.718 22.078 -99.200 -91.000 PHE 342 1.000 -6.754 55.554 26.903 -99.200 -91.000 TYR 343 0.840 -12.425 54.034 21.281 -99.200 -91.000 TRP 357 1.040 -23.485 28.990 19.346 -99.200 -91.000 TRP6 357 1.020 -22.375 27.862 17.577 -99.200 -91.000 TRP 358 1.040 -22.990 36.046 23.069 -99.200 -91.000 TRP6 358 1.020 -21.384 37.262 24.282 -99.200 -91.000 PHE 372 1.000 3.703 62.844 37.660 -99.200 -91.000 TRP 376 1.040 -8.524 48.943 40.409 -99.200 -91.000 TRP6 376 1.020 -10.756 49.386 40.980 -99.200 -91.000 TRP 378 1.040 -10.022 51.124 34.989 -99.200 -91.000 TRP6 378 1.020 -11.776 51.705 36.434 -99.200 -91.000 TYR 386 0.840 -22.408 34.483 36.407 -99.200 -91.000 PHE 387 1.000 -23.628 36.772 28.766 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2b8hA1 ARG 82 HA -0.02 -0.05 0.19 -0.75 4.34 3.70 2b8hA1 ARG 82 HB2 0.01 -0.01 0.06 -0.04 1.90 1.91 2b8hA1 ARG 82 HB3 0.02 -0.04 0.04 -0.04 1.80 1.78 2b8hA1 ARG 82 HG2 0.01 -0.02 -0.05 -0.04 1.67 1.56 2b8hA1 ARG 82 HG3 -0.02 -0.01 -0.09 -0.04 1.67 1.51 2b8hA1 ARG 82 HD2 -0.01 -0.01 0.01 -0.04 3.22 3.16 2b8hA1 ARG 82 HD3 -0.01 0.01 0.03 -0.04 3.22 3.21 2b8hA1 GLU 83 H 0.06 0.18 0.05 -0.55 8.60 8.34 2b8hA1 GLU 83 HA -0.07 0.14 0.94 -0.75 4.29 4.54 2b8hA1 GLU 83 HB2 0.09 -0.02 0.06 -0.04 2.09 2.17 2b8hA1 GLU 83 HB3 0.11 0.10 -0.07 -0.04 1.99 2.08 2b8hA1 GLU 83 HG2 0.04 -0.01 0.02 -0.04 2.34 2.34 2b8hA1 GLU 83 HG3 0.01 0.02 -0.15 -0.04 2.34 2.18 2b8hA1 PHE 84 H -0.13 0.11 0.05 -0.55 8.34 7.82 2b8hA1 PHE 84 HA 0.19 0.08 0.57 -0.75 4.62 4.70 2b8hA1 PHE 84 HB2 0.09 -0.00 0.02 -0.04 3.15 3.22 2b8hA1 PHE 84 HB3 0.11 -0.11 -0.04 -0.04 3.06 2.98 2b8hA1 PHE 84 HD2 0.11 0.03 -0.05 -0.04 7.28 7.33 2b8hA1 PHE 84 HE2 0.11 -0.03 -0.02 -0.04 7.38 7.40 2b8hA1 PHE 84 HZ 0.06 0.01 -0.02 -0.04 7.32 7.33 2b8hA1 ASN 85 H 0.43 0.51 0.35 -0.55 8.53 9.27 2b8hA1 ASN 85 HA 0.19 0.10 0.66 -0.75 4.76 4.96 2b8hA1 ASN 85 HB2 0.40 0.02 0.05 -0.04 2.88 3.30 2b8hA1 ASN 85 HB3 0.17 -0.05 -0.01 -0.04 2.79 2.86 2b8hA1 ASN 85 HD21 -0.07 0.08 0.10 -0.04 7.03 7.10 2b8hA1 ASN 85 HD22 0.01 -0.02 0.12 -0.04 7.74 7.81 2b8hA1 ASN 86 H 0.09 0.25 0.24 -0.55 8.53 8.56 2b8hA1 ASN 86 HA 0.04 0.04 0.96 -0.75 4.76 5.05 2b8hA1 ASN 86 HB2 0.07 0.03 0.11 -0.04 2.88 3.05 2b8hA1 ASN 86 HB3 0.05 0.01 -0.03 -0.04 2.79 2.78 2b8hA1 ASN 86 HD21 0.09 0.03 -0.02 -0.04 7.03 7.09 2b8hA1 ASN 86 HD22 0.07 0.00 0.01 -0.04 7.74 7.77 2b8hA1 LEU 87 H 0.03 0.15 0.07 -0.55 8.37 8.08 2b8hA1 LEU 87 HA 0.26 0.16 0.50 -0.75 4.35 4.52 2b8hA1 LEU 87 HB2 0.06 -0.15 0.18 -0.04 1.64 1.69 2b8hA1 LEU 87 HB3 0.18 0.01 -0.04 -0.04 1.64 1.74 2b8hA1 LEU 87 HG -0.08 0.03 0.04 -0.04 1.64 1.58 2b8hA1 LEU 87 HD13 -0.07 0.02 -0.17 -0.04 0.93 0.67 2b8hA1 LEU 87 HD23 -0.38 0.03 -0.10 -0.04 0.89 0.39 2b8hA1 THR 88 H 0.13 0.51 0.19 -0.55 8.28 8.55 2b8hA1 THR 88 HA 0.03 0.07 0.43 -0.75 4.39 4.17 2b8hA1 THR 88 HB -0.00 -0.00 0.07 -0.04 4.32 4.35 2b8hA1 THR 88 HG23 0.04 0.01 -0.05 -0.04 1.22 1.18 2b8hA1 LYS 89 H -0.14 0.02 -0.09 -0.55 8.42 7.66 2b8hA1 LYS 89 HA -0.18 0.22 0.81 -0.75 4.32 4.41 2b8hA1 LYS 89 HB2 -1.76 -0.06 -0.00 -0.04 1.87 0.01 2b8hA1 LYS 89 HB3 -0.50 0.08 0.13 -0.04 1.79 1.45 2b8hA1 LYS 89 HG2 -0.24 0.15 -0.12 -0.04 1.46 1.21 2b8hA1 LYS 89 HG3 -0.30 -0.16 -0.13 -0.04 1.46 0.83 2b8hA1 LYS 89 HD2 -0.67 -0.04 -0.20 -0.04 1.69 0.74 2b8hA1 LYS 89 HD3 -0.34 -0.03 -0.55 -0.04 1.68 0.72 2b8hA1 LYS 89 HE2 -0.09 -0.01 -0.05 -0.04 2.99 2.80 2b8hA1 LYS 89 HE3 -0.06 -0.07 -0.05 -0.04 2.99 2.76 2b8hA1 GLY 90 H -0.10 0.20 0.22 -0.55 8.43 8.20 2b8hA1 GLY 90 HA2 0.08 0.10 0.79 -0.51 4.01 4.47 2b8hA1 GLY 90 HA3 0.01 0.07 0.35 -0.51 4.01 3.94 2b8hA1 LEU 91 H 0.09 0.10 0.14 -0.55 8.37 8.15 2b8hA1 LEU 91 HA 0.06 0.19 0.54 -0.75 4.35 4.38 2b8hA1 LEU 91 HB2 0.05 -0.06 0.08 -0.04 1.64 1.67 2b8hA1 LEU 91 HB3 -0.04 0.15 0.07 -0.04 1.64 1.79 2b8hA1 LEU 91 HG 0.22 -0.07 0.01 -0.04 1.64 1.76 2b8hA1 LEU 91 HD13 0.13 -0.00 -0.06 -0.04 0.93 0.95 2b8hA1 LEU 91 HD23 0.16 -0.00 -0.09 -0.04 0.89 0.91 2b8hA1 CYS 92 H -0.07 0.56 0.21 -0.55 8.50 8.65 2b8hA1 CYS 92 HA -0.07 0.03 0.60 -0.75 4.58 4.39 2b8hA1 CYS 92 HB2 -0.17 -0.02 -0.15 -0.04 2.97 2.59 2b8hA1 CYS 92 HB3 -0.12 -0.01 -0.02 -0.04 2.97 2.79 2b8hA1 THR 93 H -0.08 0.07 0.09 -0.55 8.28 7.82 2b8hA1 THR 93 HA -0.05 0.06 0.53 -0.75 4.39 4.18 2b8hA1 THR 93 HB -0.08 -0.04 0.12 -0.04 4.32 4.28 2b8hA1 THR 93 HG23 -0.02 0.02 -0.15 -0.04 1.22 1.02 2b8hA1 ILE 94 H -0.07 0.18 0.13 -0.55 8.25 7.93 2b8hA1 ILE 94 HA -0.56 0.14 0.77 -0.75 4.18 3.78 2b8hA1 ILE 94 HB -0.21 0.02 0.09 -0.04 1.89 1.75 2b8hA1 ILE 94 HG12 -0.78 -0.07 -0.04 -0.04 1.49 0.56 2b8hA1 ILE 94 HG13 -0.32 0.13 -0.11 -0.04 1.21 0.87 2b8hA1 ILE 94 HG23 -1.85 0.00 -0.16 -0.04 0.93 -1.12 2b8hA1 ILE 94 HD13 -0.17 0.02 0.00 -0.04 0.88 0.69 2b8hA1 ASN 95 H -0.44 0.69 0.30 -0.55 8.53 8.53 2b8hA1 ASN 95 HA -0.14 0.14 0.89 -0.75 4.76 4.89 2b8hA1 ASN 95 HB2 -0.63 0.11 -0.29 -0.04 2.88 2.03 2b8hA1 ASN 95 HB3 -1.92 -0.10 -0.18 -0.04 2.79 0.55 2b8hA1 ASN 95 HD21 -0.08 -0.14 -0.04 -0.04 7.03 6.74 2b8hA1 ASN 95 HD22 -0.27 0.66 0.12 -0.04 7.74 8.21 2b8hA1 SER 96 H -0.66 0.28 0.25 -0.55 8.46 7.78 2b8hA1 SER 96 HA -0.30 0.09 0.26 -0.75 4.49 3.79 2b8hA1 SER 96 HB2 0.02 0.05 0.20 -0.04 3.95 4.18 2b8hA1 SER 96 HB3 -0.03 0.23 0.24 -0.04 3.93 4.33 2b8hA1 TRP 97 H 0.09 0.30 0.12 -0.55 7.97 7.93 2b8hA1 TRP 97 HA -0.20 0.23 0.81 -0.75 4.62 4.71 2b8hA1 TRP 97 HB2 0.05 -0.00 -0.05 -0.04 3.23 3.19 2b8hA1 TRP 97 HB3 -0.03 0.02 -0.15 -0.04 3.23 3.04 2b8hA1 TRP 97 HD1 -0.20 0.01 -0.23 -0.04 7.22 6.76 2b8hA1 TRP 97 HE1 -1.43 0.00 -0.31 -0.04 10.20 8.42 2b8hA1 TRP 97 HE3 -0.15 -0.00 -0.58 -0.04 7.59 6.82 2b8hA1 TRP 97 HZ2 -0.55 -0.01 -0.21 -0.04 7.44 6.63 2b8hA1 TRP 97 HZ3 -0.19 0.07 -0.44 -0.04 7.13 6.53 2b8hA1 TRP 97 HH2 -0.35 -0.03 -0.20 -0.04 7.19 6.58 2b8hA1 HIS 98 H -0.18 0.77 0.25 -0.55 8.41 8.71 2b8hA1 HIS 98 HA 0.14 0.12 0.77 -0.75 4.63 4.91 2b8hA1 HIS 98 HB2 0.07 0.01 0.08 -0.04 3.26 3.38 2b8hA1 HIS 98 HB3 0.02 -0.07 -0.10 -0.04 3.20 3.01 2b8hA1 HIS 98 HD2 -0.07 -0.02 -0.33 -0.04 6.97 6.50 2b8hA1 HIS 98 HE1 0.17 -0.01 -0.08 -0.04 7.75 7.78 2b8hA1 ILE 99 H 0.22 0.12 0.11 -0.55 8.25 8.15 2b8hA1 ILE 99 HA -0.24 0.08 0.68 -0.75 4.18 3.95 2b8hA1 ILE 99 HB -0.23 0.00 0.10 -0.04 1.89 1.72 2b8hA1 ILE 99 HG12 -0.70 -0.01 -0.08 -0.04 1.49 0.67 2b8hA1 ILE 99 HG13 -0.30 0.01 -0.25 -0.04 1.21 0.64 2b8hA1 ILE 99 HG23 0.19 0.00 0.02 -0.04 0.93 1.10 2b8hA1 ILE 99 HD13 -1.36 0.03 0.03 -0.04 0.88 -0.46 2b8hA1 TYR 100 H -0.07 0.61 0.47 -0.55 8.29 8.75 2b8hA1 TYR 100 HA 0.08 0.17 0.88 -0.75 4.56 4.94 2b8hA1 TYR 100 HB2 -0.09 -0.05 -0.16 -0.04 3.06 2.72 2b8hA1 TYR 100 HB3 -0.03 -0.01 -0.29 -0.04 2.98 2.61 2b8hA1 TYR 100 HD2 0.18 0.01 -0.14 -0.04 7.15 7.16 2b8hA1 TYR 100 HE2 0.13 -0.03 -0.13 -0.04 6.85 6.78 2b8hA1 GLY 101 H 0.05 0.42 0.29 -0.55 8.43 8.64 2b8hA1 GLY 101 HA2 -0.10 0.20 0.64 -0.51 4.01 4.24 2b8hA1 GLY 101 HA3 0.03 -0.02 0.19 -0.51 4.01 3.70 2b8hA1 LYS 102 H 0.07 0.34 0.13 -0.55 8.42 8.40 2b8hA1 LYS 102 HA 0.12 0.27 0.72 -0.75 4.32 4.68 2b8hA1 LYS 102 HB2 -0.11 0.02 -0.16 -0.04 1.87 1.57 2b8hA1 LYS 102 HB3 0.06 0.03 0.06 -0.04 1.79 1.89 2b8hA1 LYS 102 HG2 0.13 -0.20 0.04 -0.04 1.46 1.39 2b8hA1 LYS 102 HG3 0.08 0.09 0.22 -0.04 1.46 1.80 2b8hA1 LYS 102 HD2 0.32 -0.02 -0.00 -0.04 1.69 1.94 2b8hA1 LYS 102 HD3 0.24 -0.01 -0.02 -0.04 1.68 1.85 2b8hA1 LYS 102 HE2 0.25 -0.01 -0.11 -0.04 2.99 3.08 2b8hA1 LYS 102 HE3 0.30 0.00 -0.04 -0.04 2.99 3.22 2b8hA1 ASP 103 H 0.22 0.20 0.28 -0.55 8.40 8.55 2b8hA1 ASP 103 HA 0.20 0.56 0.79 -0.75 4.63 5.42 2b8hA1 ASP 103 HB2 0.31 0.02 -0.37 -0.04 2.71 2.63 2b8hA1 ASP 103 HB3 0.64 0.06 -0.15 -0.04 2.70 3.21 2b8hA1 ASN 104 H 0.13 0.10 0.09 -0.55 8.53 8.31 2b8hA1 ASN 104 HA 0.10 0.09 0.38 -0.75 4.76 4.57 2b8hA1 ASN 104 HB2 0.09 0.25 -0.24 -0.04 2.88 2.94 2b8hA1 ASN 104 HB3 0.09 -0.08 0.17 -0.04 2.79 2.93 2b8hA1 ASN 104 HD21 0.13 0.01 -0.10 -0.04 7.03 7.03 2b8hA1 ASN 104 HD22 0.10 0.11 -0.21 -0.04 7.74 7.70 2b8hA1 ALA 105 H 0.09 -0.02 -0.10 -0.55 8.40 7.82 2b8hA1 ALA 105 HA 0.02 0.18 0.13 -0.75 4.34 3.92 2b8hA1 ALA 105 HB3 0.00 0.05 0.09 -0.04 1.41 1.50 2b8hA1 VAL 106 H 0.05 0.03 -0.13 -0.55 8.24 7.65 2b8hA1 VAL 106 HA -0.02 0.15 0.39 -0.75 4.13 3.89 2b8hA1 VAL 106 HB 0.12 -0.08 -0.09 -0.04 2.12 2.03 2b8hA1 VAL 106 HG13 0.06 0.02 -0.20 -0.04 0.97 0.81 2b8hA1 VAL 106 HG23 0.01 0.02 -0.23 -0.04 0.95 0.71 2b8hA1 ARG 107 H 0.12 0.06 -0.30 -0.55 8.46 7.78 2b8hA1 ARG 107 HA 0.19 0.01 0.37 -0.75 4.34 4.16 2b8hA1 ARG 107 HB2 0.10 0.12 0.04 -0.04 1.90 2.11 2b8hA1 ARG 107 HB3 0.09 0.06 -0.15 -0.04 1.80 1.76 2b8hA1 ARG 107 HG2 0.13 0.05 -0.19 -0.04 1.67 1.62 2b8hA1 ARG 107 HG3 0.13 -0.19 -0.37 -0.04 1.67 1.20 2b8hA1 ARG 107 HD2 0.08 -0.01 -0.05 -0.04 3.22 3.20 2b8hA1 ARG 107 HD3 0.09 0.01 0.02 -0.04 3.22 3.30 2b8hA1 ILE 108 H 0.06 0.58 -0.13 -0.55 8.25 8.22 2b8hA1 ILE 108 HA 0.03 0.06 0.45 -0.75 4.18 3.96 2b8hA1 ILE 108 HB 0.02 0.07 0.08 -0.04 1.89 2.01 2b8hA1 ILE 108 HG12 0.03 -0.05 0.02 -0.04 1.49 1.45 2b8hA1 ILE 108 HG13 0.05 -0.03 0.06 -0.04 1.21 1.26 2b8hA1 ILE 108 HG23 -0.00 -0.02 -0.12 -0.04 0.93 0.75 2b8hA1 ILE 108 HD13 0.05 0.05 0.00 -0.04 0.88 0.93 2b8hA1 GLY 109 H 0.02 0.59 -0.21 -0.55 8.43 8.28 2b8hA1 GLY 109 HA2 -0.04 -0.04 0.27 -0.51 4.01 3.68 2b8hA1 GLY 109 HA3 -0.04 0.04 0.28 -0.51 4.01 3.78 2b8hA1 GLU 110 H 0.09 0.35 -0.55 -0.55 8.60 7.94 2b8hA1 GLU 110 HA -0.23 0.01 0.59 -0.75 4.29 3.91 2b8hA1 GLU 110 HB2 -0.17 -0.02 0.10 -0.04 2.09 1.96 2b8hA1 GLU 110 HB3 -0.11 0.14 0.06 -0.04 1.99 2.05 2b8hA1 GLU 110 HG2 -0.99 0.01 0.00 -0.04 2.34 1.32 2b8hA1 GLU 110 HG3 -0.40 -0.10 -0.03 -0.04 2.34 1.76 2b8hA1 ASP 111 H -0.04 0.39 -0.28 -0.55 8.40 7.92 2b8hA1 ASP 111 HA -0.05 0.11 0.63 -0.75 4.63 4.56 2b8hA1 ASP 111 HB2 -0.09 0.06 -0.21 -0.04 2.71 2.43 2b8hA1 ASP 111 HB3 -0.06 0.01 0.03 -0.04 2.70 2.64 2b8hA1 SER 112 H -0.03 0.40 0.10 -0.55 8.46 8.38 2b8hA1 SER 112 HA -0.00 0.07 0.28 -0.75 4.49 4.08 2b8hA1 SER 112 HB2 0.00 -0.14 0.11 -0.04 3.95 3.89 2b8hA1 SER 112 HB3 -0.01 0.21 0.11 -0.04 3.93 4.20 2b8hA1 ASP 113 H 0.00 0.18 0.04 -0.55 8.40 8.07 2b8hA1 ASP 113 HA -0.09 0.16 0.51 -0.75 4.63 4.45 2b8hA1 ASP 113 HB2 -0.18 -0.05 0.23 -0.04 2.71 2.68 2b8hA1 ASP 113 HB3 -0.23 0.00 0.12 -0.04 2.70 2.55 2b8hA1 VAL 114 H -0.12 0.51 0.17 -0.55 8.24 8.24 2b8hA1 VAL 114 HA -0.24 0.13 0.73 -0.75 4.13 4.01 2b8hA1 VAL 114 HB -0.14 -0.04 0.12 -0.04 2.12 2.02 2b8hA1 VAL 114 HG13 -0.21 0.08 -0.11 -0.04 0.97 0.69 2b8hA1 VAL 114 HG23 -0.11 -0.01 -0.26 -0.04 0.95 0.54 2b8hA1 LEU 115 H -0.30 0.68 0.29 -0.55 8.37 8.50 2b8hA1 LEU 115 HA -0.18 0.10 0.77 -0.75 4.35 4.28 2b8hA1 LEU 115 HB2 -0.31 0.05 -0.01 -0.04 1.64 1.33 2b8hA1 LEU 115 HB3 -0.18 0.06 0.04 -0.04 1.64 1.51 2b8hA1 LEU 115 HG -0.26 -0.12 -0.32 -0.04 1.64 0.89 2b8hA1 LEU 115 HD13 -0.22 0.01 -0.21 -0.04 0.93 0.47 2b8hA1 LEU 115 HD23 -0.15 -0.02 -0.18 -0.04 0.89 0.49 2b8hA1 VAL 116 H -0.14 0.51 0.26 -0.55 8.24 8.32 2b8hA1 VAL 116 HA -0.18 -0.01 0.67 -0.75 4.13 3.86 2b8hA1 VAL 116 HB -0.07 -0.05 0.06 -0.04 2.12 2.02 2b8hA1 VAL 116 HG13 -0.02 0.01 0.02 -0.04 0.97 0.94 2b8hA1 VAL 116 HG23 -0.20 -0.04 -0.27 -0.04 0.95 0.40 2b8hA1 THR 117 H -0.08 0.10 0.26 -0.55 8.28 8.02 2b8hA1 THR 117 HA -0.02 0.35 0.78 -0.75 4.39 4.74 2b8hA1 THR 117 HB 0.03 0.03 -0.04 -0.04 4.32 4.29 2b8hA1 THR 117 HG23 -0.18 0.01 -0.40 -0.04 1.22 0.61 2b8hA1 ARG 118 H 0.03 0.61 0.26 -0.55 8.46 8.81 2b8hA1 ARG 118 HA -0.00 -0.05 0.03 -0.75 4.34 3.56 2b8hA1 ARG 118 HB2 -0.01 0.12 -0.04 -0.04 1.90 1.93 2b8hA1 ARG 118 HB3 -0.07 -0.02 0.13 -0.04 1.80 1.80 2b8hA1 ARG 118 HG2 -0.03 -0.15 -0.03 -0.04 1.67 1.43 2b8hA1 ARG 118 HG3 -0.01 0.18 0.03 -0.04 1.67 1.82 2b8hA1 ARG 118 HD2 -0.06 0.02 0.01 -0.04 3.22 3.14 2b8hA1 ARG 118 HD3 -0.08 0.10 0.02 -0.04 3.22 3.22 2b8hA1 GLU 119 H -0.08 0.10 0.13 -0.55 8.60 8.20 2b8hA1 GLU 119 HA 0.12 0.07 0.41 -0.75 4.29 4.13 2b8hA1 GLU 119 HB2 0.12 0.06 -0.09 -0.04 2.09 2.13 2b8hA1 GLU 119 HB3 0.21 0.04 0.20 -0.04 1.99 2.39 2b8hA1 GLU 119 HG2 0.15 0.02 0.05 -0.04 2.34 2.52 2b8hA1 GLU 119 HG3 -0.21 -0.00 0.10 -0.04 2.34 2.19 2b8hA1 PRO 120 HA -0.04 0.17 0.66 -0.51 4.44 4.73 2b8hA1 PRO 120 HB2 -0.28 0.02 -0.03 -0.04 2.28 1.95 2b8hA1 PRO 120 HB3 0.01 -0.04 -0.02 -0.04 2.02 1.92 2b8hA1 PRO 120 HG2 0.03 0.04 -0.13 -0.04 2.03 1.92 2b8hA1 PRO 120 HG3 0.03 -0.00 -0.07 -0.04 2.03 1.95 2b8hA1 PRO 120 HD2 0.15 0.07 0.16 -0.04 3.68 4.02 2b8hA1 PRO 120 HD3 0.04 -0.03 -0.08 -0.04 3.65 3.54 2b8hA1 TYR 121 H -0.45 0.66 0.29 -0.55 8.29 8.23 2b8hA1 TYR 121 HA -1.68 0.05 0.08 -0.75 4.56 2.25 2b8hA1 TYR 121 HB2 -0.27 -0.13 0.21 -0.04 3.06 2.82 2b8hA1 TYR 121 HB3 -0.34 0.40 0.19 -0.04 2.98 3.18 2b8hA1 TYR 121 HD2 -0.17 0.18 -0.45 -0.04 7.15 6.67 2b8hA1 TYR 121 HE2 -0.26 0.00 -0.30 -0.04 6.85 6.26 2b8hA1 VAL 122 H -0.18 0.29 0.13 -0.55 8.24 7.93 2b8hA1 VAL 122 HA -0.20 0.28 0.89 -0.75 4.13 4.35 2b8hA1 VAL 122 HB -2.03 -0.02 -0.09 -0.04 2.12 -0.06 2b8hA1 VAL 122 HG13 -0.34 -0.00 -0.20 -0.04 0.97 0.38 2b8hA1 VAL 122 HG23 -0.43 -0.01 -0.35 -0.04 0.95 0.12 2b8hA1 SER 123 H 0.04 0.65 0.25 -0.55 8.46 8.86 2b8hA1 SER 123 HA 0.11 0.09 0.59 -0.75 4.49 4.52 2b8hA1 SER 123 HB2 -0.21 0.05 -0.14 -0.04 3.95 3.61 2b8hA1 SER 123 HB3 -0.39 -0.03 -0.10 -0.04 3.93 3.37 2b8hA1 CYS 124 H 0.29 0.20 0.22 -0.55 8.50 8.67 2b8hA1 CYS 124 HA 0.11 0.15 1.09 -0.75 4.58 5.18 2b8hA1 CYS 124 HB2 0.51 -0.05 0.18 -0.04 2.97 3.57 2b8hA1 CYS 124 HB3 0.28 0.21 0.06 -0.04 2.97 3.48 2b8hA1 ASP 125 H -0.10 0.84 0.40 -0.55 8.40 8.99 2b8hA1 ASP 125 HA -0.85 0.08 0.64 -0.75 4.63 3.74 2b8hA1 ASP 125 HB2 -0.27 -0.04 0.09 -0.04 2.71 2.45 2b8hA1 ASP 125 HB3 -0.59 0.03 0.09 -0.04 2.70 2.19 2b8hA1 PRO 126 HA -0.82 0.07 0.53 -0.51 4.44 3.72 2b8hA1 PRO 126 HB2 -0.38 0.04 -0.01 -0.04 2.28 1.89 2b8hA1 PRO 126 HB3 -0.43 0.08 0.11 -0.04 2.02 1.74 2b8hA1 PRO 126 HG2 -0.49 0.29 0.03 -0.04 2.03 1.83 2b8hA1 PRO 126 HG3 -1.58 -0.01 0.04 -0.04 2.03 0.44 2b8hA1 PRO 126 HD2 -1.13 0.13 0.10 -0.04 3.68 2.74 2b8hA1 PRO 126 HD3 -2.15 0.00 0.06 -0.04 3.65 1.53 2b8hA1 ASP 127 H -0.31 0.00 -0.33 -0.55 8.40 7.22 2b8hA1 ASP 127 HA -0.06 0.27 0.89 -0.75 4.63 4.97 2b8hA1 ASP 127 HB2 -0.06 0.01 0.12 -0.04 2.71 2.74 2b8hA1 ASP 127 HB3 -0.09 0.04 -0.08 -0.04 2.70 2.52 2b8hA1 GLU 128 H -0.13 0.31 -0.11 -0.55 8.60 8.13 2b8hA1 GLU 128 HA -0.04 0.11 0.64 -0.75 4.29 4.25 2b8hA1 GLU 128 HB2 -0.07 0.17 -0.27 -0.04 2.09 1.88 2b8hA1 GLU 128 HB3 -0.09 -0.12 -0.18 -0.04 1.99 1.56 2b8hA1 GLU 128 HG2 -0.08 -0.01 -0.43 -0.04 2.34 1.77 2b8hA1 GLU 128 HG3 -0.08 0.02 0.04 -0.04 2.34 2.29 2b8hA1 CYS 129 H -0.02 0.21 0.17 -0.55 8.50 8.31 2b8hA1 CYS 129 HA 0.04 0.19 1.03 -0.75 4.58 5.09 2b8hA1 CYS 129 HB2 0.11 0.00 0.04 -0.04 2.97 3.08 2b8hA1 CYS 129 HB3 0.14 0.00 -0.07 -0.04 2.97 3.00 2b8hA1 ARG 130 H 0.01 0.65 0.28 -0.55 8.46 8.85 2b8hA1 ARG 130 HA -0.33 0.06 0.98 -0.75 4.34 4.29 2b8hA1 ARG 130 HB2 -0.15 -0.01 -0.06 -0.04 1.90 1.64 2b8hA1 ARG 130 HB3 -0.49 0.18 -0.01 -0.04 1.80 1.44 2b8hA1 ARG 130 HG2 -0.20 0.01 -0.22 -0.04 1.67 1.22 2b8hA1 ARG 130 HG3 -0.11 -0.15 -0.66 -0.04 1.67 0.70 2b8hA1 ARG 130 HD2 -0.10 -0.03 -0.21 -0.04 3.22 2.84 2b8hA1 ARG 130 HD3 -0.09 -0.02 -0.20 -0.04 3.22 2.86 2b8hA1 PHE 131 H -0.74 0.39 0.12 -0.55 8.34 7.56 2b8hA1 PHE 131 HA -0.61 0.19 0.88 -0.75 4.62 4.32 2b8hA1 PHE 131 HB2 -2.24 0.05 -0.05 -0.04 3.15 0.86 2b8hA1 PHE 131 HB3 -1.52 0.07 -0.03 -0.04 3.06 1.54 2b8hA1 PHE 131 HD2 -0.16 0.11 -0.16 -0.04 7.28 7.03 2b8hA1 PHE 131 HE2 -0.04 0.00 -0.19 -0.04 7.38 7.12 2b8hA1 PHE 131 HZ -0.07 -0.05 -0.39 -0.04 7.32 6.77 2b8hA1 TYR 132 H -0.59 0.66 0.37 -0.55 8.29 8.18 2b8hA1 TYR 132 HA -0.45 0.36 0.91 -0.75 4.56 4.63 2b8hA1 TYR 132 HB2 -1.51 -0.09 -0.18 -0.04 3.06 1.23 2b8hA1 TYR 132 HB3 -1.01 0.04 -0.06 -0.04 2.98 1.91 2b8hA1 TYR 132 HD2 -0.36 0.02 -0.32 -0.04 7.15 6.45 2b8hA1 TYR 132 HE2 -0.13 0.04 -0.15 -0.04 6.85 6.58 2b8hA1 ALA 133 H 0.08 0.56 0.33 -0.55 8.40 8.81 2b8hA1 ALA 133 HA 0.05 0.27 0.22 -0.75 4.34 4.12 2b8hA1 ALA 133 HB3 0.26 0.03 -0.06 -0.04 1.41 1.59 2b8hA1 LEU 134 H 0.10 0.59 0.18 -0.55 8.37 8.70 2b8hA1 LEU 134 HA 0.07 0.21 1.00 -0.75 4.35 4.87 2b8hA1 LEU 134 HB2 0.09 0.01 0.13 -0.04 1.64 1.84 2b8hA1 LEU 134 HB3 0.10 0.10 0.03 -0.04 1.64 1.83 2b8hA1 LEU 134 HG 0.14 -0.03 -0.11 -0.04 1.64 1.60 2b8hA1 LEU 134 HD13 0.16 -0.02 -0.14 -0.04 0.93 0.89 2b8hA1 LEU 134 HD23 0.09 0.01 -0.31 -0.04 0.89 0.64 2b8hA1 SER 135 H 0.02 0.54 0.30 -0.55 8.46 8.77 2b8hA1 SER 135 HA -0.04 0.18 0.64 -0.75 4.49 4.52 2b8hA1 SER 135 HB2 -0.05 0.00 0.09 -0.04 3.95 3.95 2b8hA1 SER 135 HB3 -0.01 -0.01 0.12 -0.04 3.93 3.99 2b8hA1 GLN 136 H -0.02 0.58 0.25 -0.55 8.47 8.73 2b8hA1 GLN 136 HA 0.07 0.19 0.66 -0.75 4.36 4.52 2b8hA1 GLN 136 HB2 0.00 -0.06 0.02 -0.04 2.15 2.07 2b8hA1 GLN 136 HB3 0.06 -0.00 0.06 -0.04 2.02 2.09 2b8hA1 GLN 136 HG2 0.03 0.01 -0.38 -0.04 2.40 2.02 2b8hA1 GLN 136 HG3 0.03 0.04 -0.14 -0.04 2.39 2.27 2b8hA1 GLN 136 HE21 0.05 0.40 -0.03 -0.04 6.97 7.35 2b8hA1 GLN 136 HE22 0.04 -0.02 -0.09 -0.04 7.69 7.58 2b8hA1 GLY 137 H -0.01 -0.02 -0.03 -0.55 8.43 7.82 2b8hA1 GLY 137 HA2 -0.03 -0.06 0.27 -0.51 4.01 3.68 2b8hA1 GLY 137 HA3 0.03 0.17 0.44 -0.51 4.01 4.14 2b8hA1 THR 138 H -0.06 0.22 -0.02 -0.55 8.28 7.87 2b8hA1 THR 138 HA -0.05 0.01 0.40 -0.75 4.39 3.99 2b8hA1 THR 138 HB -0.00 0.20 -0.21 -0.04 4.32 4.27 2b8hA1 THR 138 HG23 0.01 0.06 -0.47 -0.04 1.22 0.78 2b8hA1 THR 139 H -0.06 0.06 0.09 -0.55 8.28 7.83 2b8hA1 THR 139 HA -0.15 0.28 0.97 -0.75 4.39 4.74 2b8hA1 THR 139 HB -0.11 0.04 0.20 -0.04 4.32 4.40 2b8hA1 THR 139 HG23 -0.14 -0.01 -0.19 -0.04 1.22 0.85 2b8hA1 ILE 140 H -0.19 0.42 0.22 -0.55 8.25 8.15 2b8hA1 ILE 140 HA -0.39 0.10 0.30 -0.75 4.18 3.43 2b8hA1 ILE 140 HB -0.25 0.10 0.04 -0.04 1.89 1.74 2b8hA1 ILE 140 HG12 -0.47 -0.03 -0.11 -0.04 1.49 0.84 2b8hA1 ILE 140 HG13 -0.27 0.12 -0.10 -0.04 1.21 0.92 2b8hA1 ILE 140 HG23 -1.53 -0.01 -0.11 -0.04 0.93 -0.75 2b8hA1 ILE 140 HD13 -0.28 -0.01 -0.11 -0.04 0.88 0.44 2b8hA1 ARG 141 H -0.08 0.11 0.07 -0.55 8.46 8.00 2b8hA1 ARG 141 HA 0.08 0.17 0.61 -0.75 4.34 4.44 2b8hA1 ARG 141 HB2 -0.01 -0.08 0.06 -0.04 1.90 1.83 2b8hA1 ARG 141 HB3 0.02 -0.02 0.07 -0.04 1.80 1.84 2b8hA1 ARG 141 HG2 0.05 0.05 0.09 -0.04 1.67 1.82 2b8hA1 ARG 141 HG3 -0.01 0.08 0.01 -0.04 1.67 1.71 2b8hA1 ARG 141 HD2 0.07 -0.06 0.10 -0.04 3.22 3.29 2b8hA1 ARG 141 HD3 0.22 -0.04 0.03 -0.04 3.22 3.38 2b8hA1 GLY 142 H -0.04 -0.04 -0.59 -0.55 8.43 7.21 2b8hA1 GLY 142 HA2 0.00 0.04 0.39 -0.51 4.01 3.92 2b8hA1 GLY 142 HA3 0.01 -0.06 0.24 -0.51 4.01 3.69 2b8hA1 LYS 143 H -0.05 0.12 0.19 -0.55 8.42 8.12 2b8hA1 LYS 143 HA -0.02 0.15 0.49 -0.75 4.32 4.18 2b8hA1 LYS 143 HB2 -0.25 -0.03 0.12 -0.04 1.87 1.67 2b8hA1 LYS 143 HB3 -0.18 0.03 0.11 -0.04 1.79 1.71 2b8hA1 LYS 143 HG2 -0.04 0.06 0.08 -0.04 1.46 1.51 2b8hA1 LYS 143 HG3 -0.05 -0.01 0.12 -0.04 1.46 1.49 2b8hA1 LYS 143 HD2 -0.10 -0.02 0.05 -0.04 1.69 1.58 2b8hA1 LYS 143 HD3 -0.10 0.01 0.05 -0.04 1.68 1.59 2b8hA1 LYS 143 HE2 -0.03 0.02 0.03 -0.04 2.99 2.98 2b8hA1 LYS 143 HE3 -0.03 -0.00 0.03 -0.04 2.99 2.95 2b8hA1 HIS 144 H -0.01 0.01 -0.25 -0.55 8.41 7.61 2b8hA1 HIS 144 HA -0.03 0.17 0.58 -0.75 4.63 4.60 2b8hA1 HIS 144 HB2 -0.06 -0.05 0.03 -0.04 3.26 3.15 2b8hA1 HIS 144 HB3 -0.07 0.11 0.10 -0.04 3.20 3.30 2b8hA1 HIS 144 HD2 -0.10 0.05 0.01 -0.04 6.97 6.88 2b8hA1 HIS 144 HE1 -0.06 -0.02 0.01 -0.04 7.75 7.64 2b8hA1 SER 145 H 0.06 0.39 -0.61 -0.55 8.46 7.74 2b8hA1 SER 145 HA 0.08 0.07 0.46 -0.75 4.49 4.35 2b8hA1 SER 145 HB2 0.06 -0.19 0.08 -0.04 3.95 3.86 2b8hA1 SER 145 HB3 -0.04 0.18 0.11 -0.04 3.93 4.14 2b8hA1 ASN 146 H 0.09 0.32 -0.31 -0.55 8.53 8.08 2b8hA1 ASN 146 HA 0.26 0.07 0.43 -0.75 4.76 4.77 2b8hA1 ASN 146 HB2 -0.01 -0.03 0.11 -0.04 2.88 2.92 2b8hA1 ASN 146 HB3 -0.06 0.09 0.16 -0.04 2.79 2.95 2b8hA1 ASN 146 HD21 -0.80 -0.03 0.00 -0.04 7.03 6.16 2b8hA1 ASN 146 HD22 -0.41 0.01 0.03 -0.04 7.74 7.33 2b8hA1 GLY 147 H 0.20 0.39 0.35 -0.55 8.43 8.83 2b8hA1 GLY 147 HA2 0.16 -0.06 0.38 -0.51 4.01 3.99 2b8hA1 GLY 147 HA3 0.15 0.19 0.82 -0.51 4.01 4.66 2b8hA1 THR 148 H 0.15 0.41 0.12 -0.55 8.28 8.41 2b8hA1 THR 148 HA 0.10 0.17 0.27 -0.75 4.39 4.18 2b8hA1 THR 148 HB 0.08 0.11 0.20 -0.04 4.32 4.67 2b8hA1 THR 148 HG23 0.09 0.01 -0.06 -0.04 1.22 1.21 2b8hA1 ILE 149 H -0.03 0.00 -0.36 -0.55 8.25 7.31 2b8hA1 ILE 149 HA -0.07 0.13 0.57 -0.75 4.18 4.06 2b8hA1 ILE 149 HB -0.13 -0.06 -0.06 -0.04 1.89 1.61 2b8hA1 ILE 149 HG12 -0.16 -0.00 -0.05 -0.04 1.49 1.24 2b8hA1 ILE 149 HG13 -0.12 0.13 -0.09 -0.04 1.21 1.08 2b8hA1 ILE 149 HG23 -0.44 -0.02 -0.12 -0.04 0.93 0.32 2b8hA1 ILE 149 HD13 -0.15 -0.03 -0.11 -0.04 0.88 0.55 2b8hA1 HIS 150 H -0.12 0.38 -0.14 -0.55 8.41 7.99 2b8hA1 HIS 150 HA -0.03 -0.01 0.40 -0.75 4.63 4.24 2b8hA1 HIS 150 HB2 0.01 0.14 0.08 -0.04 3.26 3.45 2b8hA1 HIS 150 HB3 -0.04 -0.10 0.03 -0.04 3.20 3.06 2b8hA1 HIS 150 HD2 0.04 0.13 0.13 -0.04 6.97 7.22 2b8hA1 HIS 150 HE1 -0.00 -0.01 -0.01 -0.04 7.75 7.68 2b8hA1 ASP 151 H 0.03 0.03 0.18 -0.55 8.40 8.09 2b8hA1 ASP 151 HA 0.01 0.22 0.35 -0.75 4.63 4.45 2b8hA1 ASP 151 HB2 -0.10 -0.09 0.12 -0.04 2.71 2.59 2b8hA1 ASP 151 HB3 -0.06 0.03 -0.02 -0.04 2.70 2.61 2b8hA1 ARG 152 H -0.12 0.08 -0.04 -0.55 8.46 7.82 2b8hA1 ARG 152 HA -0.28 0.21 0.92 -0.75 4.34 4.43 2b8hA1 ARG 152 HB2 -0.54 -0.07 0.12 -0.04 1.90 1.36 2b8hA1 ARG 152 HB3 -1.37 0.03 -0.00 -0.04 1.80 0.42 2b8hA1 ARG 152 HG2 -1.02 0.17 -0.18 -0.04 1.67 0.60 2b8hA1 ARG 152 HG3 -0.49 -0.10 -0.21 -0.04 1.67 0.83 2b8hA1 ARG 152 HD2 -2.38 0.01 -0.08 -0.04 3.22 0.73 2b8hA1 ARG 152 HD3 -1.09 0.06 -0.08 -0.04 3.22 2.08 2b8hA1 SER 153 H 0.12 0.38 0.20 -0.55 8.46 8.61 2b8hA1 SER 153 HA -0.09 0.10 0.36 -0.75 4.49 4.11 2b8hA1 SER 153 HB2 -0.15 -0.05 0.14 -0.04 3.95 3.85 2b8hA1 SER 153 HB3 0.03 0.16 -0.16 -0.04 3.93 3.92 2b8hA1 GLN 154 H -0.52 0.21 0.12 -0.55 8.47 7.73 2b8hA1 GLN 154 HA -0.09 0.10 0.46 -0.75 4.36 4.07 2b8hA1 GLN 154 HB2 -0.79 0.03 0.05 -0.04 2.15 1.40 2b8hA1 GLN 154 HB3 -0.21 0.05 0.11 -0.04 2.02 1.93 2b8hA1 GLN 154 HG2 -0.08 0.03 0.01 -0.04 2.40 2.32 2b8hA1 GLN 154 HG3 -0.07 -0.02 -0.02 -0.04 2.39 2.24 2b8hA1 GLN 154 HE21 -0.04 0.01 -0.01 -0.04 6.97 6.90 2b8hA1 GLN 154 HE22 -0.03 0.00 -0.02 -0.04 7.69 7.60 2b8hA1 TYR 155 H -0.34 0.00 -0.50 -0.55 8.29 6.90 2b8hA1 TYR 155 HA 0.01 0.14 0.56 -0.75 4.56 4.51 2b8hA1 TYR 155 HB2 0.01 0.15 -0.10 -0.04 3.06 3.08 2b8hA1 TYR 155 HB3 -0.02 0.06 0.06 -0.04 2.98 3.03 2b8hA1 TYR 155 HD2 0.00 0.10 -0.12 -0.04 7.15 7.10 2b8hA1 TYR 155 HE2 0.00 0.02 -0.04 -0.04 6.85 6.79 2b8hA1 ARG 156 H 0.06 0.13 -0.33 -0.55 8.46 7.76 2b8hA1 ARG 156 HA 0.07 0.30 0.60 -0.75 4.34 4.55 2b8hA1 ARG 156 HB2 0.17 -0.07 -0.04 -0.04 1.90 1.92 2b8hA1 ARG 156 HB3 0.12 0.09 0.11 -0.04 1.80 2.07 2b8hA1 ARG 156 HG2 0.11 -0.17 -0.20 -0.04 1.67 1.37 2b8hA1 ARG 156 HG3 0.16 -0.13 -0.01 -0.04 1.67 1.65 2b8hA1 ARG 156 HD2 0.10 0.07 0.01 -0.04 3.22 3.36 2b8hA1 ARG 156 HD3 0.08 -0.06 -0.03 -0.04 3.22 3.17 2b8hA1 ASP 157 H 0.03 0.35 0.32 -0.55 8.40 8.55 2b8hA1 ASP 157 HA -0.02 -0.10 0.78 -0.75 4.63 4.54 2b8hA1 LEU 158 H -0.05 0.30 0.16 -0.55 8.37 8.24 2b8hA1 LEU 158 HA 0.04 0.26 0.77 -0.75 4.35 4.67 2b8hA1 LEU 158 HB2 0.02 0.01 -0.04 -0.04 1.64 1.59 2b8hA1 LEU 158 HB3 -0.07 -0.11 0.10 -0.04 1.64 1.53 2b8hA1 LEU 158 HG 0.06 -0.04 -0.34 -0.04 1.64 1.28 2b8hA1 LEU 158 HD13 0.12 0.04 -0.10 -0.04 0.93 0.95 2b8hA1 LEU 158 HD23 0.06 -0.02 -0.18 -0.04 0.89 0.72 2b8hA1 ILE 159 H 0.06 0.65 0.45 -0.55 8.25 8.87 2b8hA1 ILE 159 HA -0.02 0.28 0.96 -0.75 4.18 4.63 2b8hA1 ILE 159 HB 0.07 0.02 -0.06 -0.04 1.89 1.89 2b8hA1 ILE 159 HG12 0.06 0.05 0.02 -0.04 1.49 1.58 2b8hA1 ILE 159 HG13 0.36 -0.09 -0.08 -0.04 1.21 1.37 2b8hA1 ILE 159 HG23 -0.04 -0.00 -0.28 -0.04 0.93 0.56 2b8hA1 ILE 159 HD13 -0.24 -0.01 -0.18 -0.04 0.88 0.40 2b8hA1 SER 160 H -0.08 0.58 0.32 -0.55 8.46 8.74 2b8hA1 SER 160 HA -0.51 0.30 0.60 -0.75 4.49 4.12 2b8hA1 SER 160 HB2 -1.01 0.05 0.00 -0.04 3.95 2.95 2b8hA1 SER 160 HB3 -1.24 -0.06 -0.01 -0.04 3.93 2.58 2b8hA1 TRP 161 H -0.62 0.65 0.24 -0.55 7.97 7.70 2b8hA1 TRP 161 HA -0.16 0.20 0.70 -0.75 4.62 4.61 2b8hA1 TRP 161 HB2 -0.11 0.10 0.02 -0.04 3.23 3.20 2b8hA1 TRP 161 HB3 -0.13 -0.04 -0.32 -0.04 3.23 2.71 2b8hA1 TRP 161 HD1 -0.09 0.12 -0.47 -0.04 7.22 6.75 2b8hA1 TRP 161 HE1 0.18 0.28 -0.15 -0.04 10.20 10.48 2b8hA1 TRP 161 HE3 -0.18 -0.11 -0.59 -0.04 7.59 6.67 2b8hA1 TRP 161 HZ2 0.02 -0.06 -0.15 -0.04 7.44 7.21 2b8hA1 TRP 161 HZ3 -0.14 0.02 -0.39 -0.04 7.13 6.58 2b8hA1 TRP 161 HH2 -0.11 0.03 -0.34 -0.04 7.19 6.73 2b8hA1 PRO 162 HA -0.21 0.06 0.56 -0.51 4.44 4.34 2b8hA1 PRO 162 HB2 -0.05 0.03 0.01 -0.04 2.28 2.23 2b8hA1 PRO 162 HB3 -0.09 0.03 0.11 -0.04 2.02 2.04 2b8hA1 PRO 162 HG2 0.00 0.03 0.09 -0.04 2.03 2.11 2b8hA1 PRO 162 HG3 -0.03 0.04 0.08 -0.04 2.03 2.07 2b8hA1 PRO 162 HD2 0.17 0.09 0.17 -0.04 3.68 4.07 2b8hA1 PRO 162 HD3 0.09 0.28 0.27 -0.04 3.65 4.25 2b8hA1 LEU 163 H -0.32 0.25 0.30 -0.55 8.37 8.04 2b8hA1 LEU 163 HA -1.24 -0.08 0.30 -0.75 4.35 2.59 2b8hA1 LEU 163 HB2 -0.35 0.26 0.10 -0.04 1.64 1.61 2b8hA1 LEU 163 HB3 -0.33 -0.00 0.14 -0.04 1.64 1.41 2b8hA1 LEU 163 HG -0.56 -0.00 -0.19 -0.04 1.64 0.85 2b8hA1 LEU 163 HD13 -0.26 -0.03 -0.24 -0.04 0.93 0.36 2b8hA1 LEU 163 HD23 -0.48 0.00 -0.09 -0.04 0.89 0.28 2b8hA1 SER 164 H -1.67 0.08 0.11 -0.55 8.46 6.44 2b8hA1 SER 164 HA -0.09 -0.12 0.09 -0.75 4.49 3.63 2b8hA1 SER 164 HB2 -0.19 0.22 -0.10 -0.04 3.95 3.84 2b8hA1 SER 164 HB3 -0.06 0.12 0.17 -0.04 3.93 4.12 2b8hA1 SER 165 H -0.10 0.34 -0.63 -0.55 8.46 7.52 2b8hA1 SER 165 HA 0.06 0.09 0.67 -0.75 4.49 4.55 2b8hA1 SER 165 HB2 0.19 0.17 -0.03 -0.04 3.95 4.25 2b8hA1 SER 165 HB3 0.13 0.07 -0.00 -0.04 3.93 4.09 2b8hA1 PRO 166 HA 0.07 0.07 0.55 -0.51 4.44 4.62 2b8hA1 PRO 166 HB2 -0.17 -0.02 -0.21 -0.04 2.28 1.84 2b8hA1 PRO 166 HB3 -0.04 -0.00 -0.00 -0.04 2.02 1.94 2b8hA1 PRO 166 HG2 -0.05 -0.04 -0.05 -0.04 2.03 1.85 2b8hA1 PRO 166 HG3 0.00 0.12 -0.00 -0.04 2.03 2.11 2b8hA1 PRO 166 HD2 0.00 0.03 0.17 -0.04 3.68 3.84 2b8hA1 PRO 166 HD3 0.04 0.20 0.20 -0.04 3.65 4.05 2b8hA1 PRO 167 HA -1.52 0.14 0.55 -0.51 4.44 3.10 2b8hA1 PRO 167 HB2 -0.98 0.02 -0.02 -0.04 2.28 1.26 2b8hA1 PRO 167 HB3 -3.37 0.04 -0.10 -0.04 2.02 -1.45 2b8hA1 PRO 167 HG2 -0.51 0.12 0.11 -0.04 2.03 1.70 2b8hA1 PRO 167 HG3 -0.64 0.05 -0.03 -0.04 2.03 1.37 2b8hA1 PRO 167 HD2 -0.29 0.03 0.13 -0.04 3.68 3.51 2b8hA1 PRO 167 HD3 -0.27 0.12 0.08 -0.04 3.65 3.54 2b8hA1 THR 168 H -0.38 0.27 0.05 -0.55 8.28 7.67 2b8hA1 THR 168 HA -0.31 0.18 1.03 -0.75 4.39 4.54 2b8hA1 THR 168 HB -0.23 0.10 0.16 -0.04 4.32 4.32 2b8hA1 THR 168 HG23 -0.14 0.07 -0.21 -0.04 1.22 0.91 2b8hA1 VAL 169 H -0.48 0.57 0.25 -0.55 8.24 8.03 2b8hA1 VAL 169 HA -0.29 0.11 0.44 -0.75 4.13 3.64 2b8hA1 VAL 169 HB -1.21 -0.03 0.11 -0.04 2.12 0.95 2b8hA1 VAL 169 HG13 -0.23 0.01 -0.07 -0.04 0.97 0.65 2b8hA1 VAL 169 HG23 -0.31 0.04 -0.06 -0.04 0.95 0.58 2b8hA1 TYR 170 H -0.45 -0.00 -0.23 -0.55 8.29 7.06 2b8hA1 TYR 170 HA -0.05 0.21 0.52 -0.75 4.56 4.49 2b8hA1 TYR 170 HB2 -0.05 0.00 -0.02 -0.04 3.06 2.96 2b8hA1 TYR 170 HB3 -0.04 0.05 0.08 -0.04 2.98 3.02 2b8hA1 TYR 170 HD2 -0.05 0.06 -0.06 -0.04 7.15 7.06 2b8hA1 TYR 170 HE2 -0.04 0.00 -0.00 -0.04 6.85 6.77 2b8hA1 ASN 171 H -0.07 0.08 -0.20 -0.55 8.53 7.78 2b8hA1 ASN 171 HA 0.02 0.25 0.95 -0.75 4.76 5.23 2b8hA1 ASN 171 HB2 0.03 0.01 0.17 -0.04 2.88 3.05 2b8hA1 ASN 171 HB3 0.02 -0.03 -0.06 -0.04 2.79 2.67 2b8hA1 ASN 171 HD21 -0.03 0.59 0.06 -0.04 7.03 7.61 2b8hA1 ASN 171 HD22 0.06 -0.05 0.03 -0.04 7.74 7.73 2b8hA1 SER 172 H -0.07 0.22 -0.15 -0.55 8.46 7.91 2b8hA1 SER 172 HA 0.06 0.22 0.73 -0.75 4.49 4.74 2b8hA1 SER 172 HB2 -0.13 0.09 0.04 -0.04 3.95 3.91 2b8hA1 SER 172 HB3 -0.07 -0.04 -0.20 -0.04 3.93 3.58 2b8hA1 ARG 173 H 0.00 0.69 0.33 -0.55 8.46 8.93 2b8hA1 ARG 173 HA -0.04 0.10 0.77 -0.75 4.34 4.41 2b8hA1 ARG 173 HB2 -0.04 0.02 -0.06 -0.04 1.90 1.78 2b8hA1 ARG 173 HB3 -0.06 0.02 0.12 -0.04 1.80 1.84 2b8hA1 ARG 173 HG2 -0.07 -0.00 -0.34 -0.04 1.67 1.21 2b8hA1 ARG 173 HG3 -0.05 0.03 -0.05 -0.04 1.67 1.56 2b8hA1 ARG 173 HD2 -0.04 0.01 -0.09 -0.04 3.22 3.06 2b8hA1 ARG 173 HD3 -0.04 0.00 -0.08 -0.04 3.22 3.06 2b8hA1 VAL 174 H -0.07 0.16 0.11 -0.55 8.24 7.90 2b8hA1 VAL 174 HA -0.09 0.18 0.79 -0.75 4.13 4.26 2b8hA1 VAL 174 HB -0.09 -0.02 0.07 -0.04 2.12 2.04 2b8hA1 VAL 174 HG13 -0.14 0.02 -0.25 -0.04 0.97 0.55 2b8hA1 VAL 174 HG23 -0.06 0.01 -0.10 -0.04 0.95 0.76 2b8hA1 GLU 175 H -0.13 0.75 0.30 -0.55 8.60 8.98 2b8hA1 GLU 175 HA -0.25 0.08 0.60 -0.75 4.29 3.97 2b8hA1 GLU 175 HB2 -0.10 0.02 -0.05 -0.04 2.09 1.92 2b8hA1 GLU 175 HB3 -0.12 -0.09 -0.08 -0.04 1.99 1.65 2b8hA1 GLU 175 HG2 -0.06 0.08 -0.25 -0.04 2.34 2.07 2b8hA1 GLU 175 HG3 0.14 -0.03 -0.25 -0.04 2.34 2.16 2b8hA1 CYS 176 H -0.26 0.41 0.17 -0.55 8.50 8.28 2b8hA1 CYS 176 HA -0.65 0.10 0.30 -0.75 4.58 3.57 2b8hA1 CYS 176 HB2 -0.25 0.00 0.04 -0.04 2.97 2.72 2b8hA1 CYS 176 HB3 -1.53 0.16 0.05 -0.04 2.97 1.61 2b8hA1 ILE 177 H -0.06 0.19 0.11 -0.55 8.25 7.93 2b8hA1 ILE 177 HA -0.06 0.16 0.91 -0.75 4.18 4.44 2b8hA1 ILE 177 HB 0.01 -0.05 0.11 -0.04 1.89 1.93 2b8hA1 ILE 177 HG12 -0.01 -0.06 -0.07 -0.04 1.49 1.31 2b8hA1 ILE 177 HG13 0.02 0.02 -0.03 -0.04 1.21 1.17 2b8hA1 ILE 177 HG23 -0.02 0.04 -0.07 -0.04 0.93 0.84 2b8hA1 ILE 177 HD13 -0.04 0.03 -0.18 -0.04 0.88 0.66 2b8hA1 GLY 178 H -0.04 0.54 0.15 -0.55 8.43 8.53 2b8hA1 GLY 178 HA2 -0.27 -0.02 0.31 -0.51 4.01 3.53 2b8hA1 GLY 178 HA3 -0.28 0.08 0.40 -0.51 4.01 3.70 2b8hA1 TRP 179 H -0.70 0.68 0.40 -0.55 7.97 7.80 2b8hA1 TRP 179 HA 0.02 0.20 0.82 -0.75 4.62 4.90 2b8hA1 TRP 179 HB2 0.01 0.14 0.25 -0.04 3.23 3.59 2b8hA1 TRP 179 HB3 -0.01 -0.01 0.11 -0.04 3.23 3.28 2b8hA1 TRP 179 HD1 -0.04 0.15 0.04 -0.04 7.22 7.32 2b8hA1 TRP 179 HE1 -0.04 0.10 0.06 -0.04 10.20 10.28 2b8hA1 TRP 179 HE3 0.01 0.03 -0.52 -0.04 7.59 7.07 2b8hA1 TRP 179 HZ2 -0.04 0.05 -0.35 -0.04 7.44 7.06 2b8hA1 TRP 179 HZ3 -0.01 0.10 -0.09 -0.04 7.13 7.09 2b8hA1 TRP 179 HH2 -0.05 -0.07 -0.15 -0.04 7.19 6.88 2b8hA1 SER 180 H -0.13 0.23 0.20 -0.55 8.46 8.21 2b8hA1 SER 180 HA 0.19 0.16 0.55 -0.75 4.49 4.63 2b8hA1 SER 180 HB2 0.48 0.17 0.03 -0.04 3.95 4.59 2b8hA1 SER 180 HB3 0.01 -0.05 0.09 -0.04 3.93 3.94 2b8hA1 SER 181 H 0.06 0.24 0.13 -0.55 8.46 8.35 2b8hA1 SER 181 HA -0.02 0.24 0.89 -0.75 4.49 4.83 2b8hA1 SER 181 HB2 0.06 0.16 0.11 -0.04 3.95 4.23 2b8hA1 SER 181 HB3 0.06 -0.06 -0.36 -0.04 3.93 3.54 2b8hA1 THR 182 H -0.04 0.50 0.33 -0.55 8.28 8.52 2b8hA1 THR 182 HA -0.24 0.20 0.23 -0.75 4.39 3.83 2b8hA1 THR 182 HB -0.19 -0.09 0.16 -0.04 4.32 4.16 2b8hA1 THR 182 HG23 -0.14 -0.01 -0.17 -0.04 1.22 0.86 2b8hA1 SER 183 H -0.09 0.27 0.17 -0.55 8.46 8.26 2b8hA1 SER 183 HA -0.00 0.27 0.79 -0.75 4.49 4.79 2b8hA1 SER 183 HB2 0.02 0.03 -0.31 -0.04 3.95 3.65 2b8hA1 SER 183 HB3 -0.21 -0.03 -0.12 -0.04 3.93 3.53 2b8hA1 CYS 184 H 0.04 0.66 0.36 -0.55 8.50 9.02 2b8hA1 CYS 184 HA 0.10 0.11 0.28 -0.75 4.58 4.32 2b8hA1 CYS 184 HB2 0.14 0.04 -0.11 -0.04 2.97 3.00 2b8hA1 CYS 184 HB3 0.08 0.34 0.13 -0.04 2.97 3.48 2b8hA1 HIS 185 H 0.34 0.30 0.20 -0.55 8.41 8.70 2b8hA1 HIS 185 HA 0.10 0.13 0.71 -0.75 4.63 4.82 2b8hA1 HIS 185 HB2 0.00 0.09 0.04 -0.04 3.26 3.36 2b8hA1 HIS 185 HB3 0.02 0.07 0.14 -0.04 3.20 3.38 2b8hA1 HIS 185 HD2 -0.09 0.03 -0.14 -0.04 6.97 6.72 2b8hA1 HIS 185 HE1 -0.10 0.24 -0.82 -0.04 7.75 7.02 2b8hA1 ASP 186 H 0.00 0.64 0.31 -0.55 8.40 8.80 2b8hA1 ASP 186 HA 0.32 0.24 0.88 -0.75 4.63 5.31 2b8hA1 ASP 186 HB2 0.18 -0.07 0.16 -0.04 2.71 2.94 2b8hA1 ASP 186 HB3 0.19 0.07 0.01 -0.04 2.70 2.93 2b8hA1 GLY 187 H 0.81 0.11 -0.27 -0.55 8.43 8.53 2b8hA1 GLY 187 HA2 0.54 0.05 0.32 -0.51 4.01 4.41 2b8hA1 GLY 187 HA3 0.55 0.20 0.87 -0.51 4.01 5.12 2b8hA1 ARG 188 H 0.31 -0.10 -0.33 -0.55 8.46 7.79 2b8hA1 ARG 188 HA 0.08 0.32 0.67 -0.75 4.34 4.66 2b8hA1 ARG 188 HB2 0.12 -0.11 -0.04 -0.04 1.90 1.83 2b8hA1 ARG 188 HB3 0.00 0.03 -0.08 -0.04 1.80 1.72 2b8hA1 ARG 188 HG2 -0.10 0.14 -0.32 -0.04 1.67 1.35 2b8hA1 ARG 188 HG3 -0.11 -0.05 -0.84 -0.04 1.67 0.64 2b8hA1 ARG 188 HD2 -0.51 0.22 -0.08 -0.04 3.22 2.81 2b8hA1 ARG 188 HD3 -1.72 -0.12 -0.14 -0.04 3.22 1.20 2b8hA1 ALA 189 H -0.04 0.02 0.16 -0.55 8.40 8.00 2b8hA1 ALA 189 HA -0.37 0.21 0.61 -0.75 4.34 4.02 2b8hA1 ALA 189 HB3 -0.51 0.03 -0.08 -0.04 1.41 0.81 2b8hA1 ARG 190 H -0.35 0.19 0.18 -0.55 8.46 7.93 2b8hA1 ARG 190 HA -0.17 0.20 0.92 -0.75 4.34 4.53 2b8hA1 ARG 190 HB2 0.08 -0.02 -0.09 -0.04 1.90 1.84 2b8hA1 ARG 190 HB3 -0.04 -0.02 0.05 -0.04 1.80 1.75 2b8hA1 ARG 190 HG2 0.03 -0.02 -0.45 -0.04 1.67 1.19 2b8hA1 ARG 190 HG3 0.05 0.11 -0.21 -0.04 1.67 1.57 2b8hA1 ARG 190 HD2 0.11 0.00 -0.18 -0.04 3.22 3.12 2b8hA1 ARG 190 HD3 0.14 0.03 -0.22 -0.04 3.22 3.12 2b8hA1 MET 191 H 0.06 0.76 0.42 -0.55 8.47 9.16 2b8hA1 MET 191 HA 0.18 0.38 1.06 -0.75 4.52 5.39 2b8hA1 MET 191 HB2 0.27 -0.10 0.04 -0.04 2.15 2.32 2b8hA1 MET 191 HB3 0.09 -0.03 0.12 -0.04 2.03 2.17 2b8hA1 MET 191 HG2 -0.04 -0.04 -0.34 -0.04 2.63 2.17 2b8hA1 MET 191 HG3 0.03 0.22 0.01 -0.04 2.56 2.79 2b8hA1 MET 191 HE3 0.05 0.01 -0.19 -0.04 2.10 1.93 2b8hA1 SER 192 H 0.14 0.46 0.20 -0.55 8.46 8.70 2b8hA1 SER 192 HA 0.01 0.18 0.89 -0.75 4.49 4.82 2b8hA1 SER 192 HB2 -0.06 0.02 -0.04 -0.04 3.95 3.84 2b8hA1 SER 192 HB3 -0.06 0.04 -0.08 -0.04 3.93 3.79 2b8hA1 ILE 193 H -0.00 0.67 0.30 -0.55 8.25 8.67 2b8hA1 ILE 193 HA 0.09 0.37 1.09 -0.75 4.18 4.98 2b8hA1 ILE 193 HB -0.05 -0.11 0.03 -0.04 1.89 1.72 2b8hA1 ILE 193 HG12 -0.14 0.04 -0.15 -0.04 1.49 1.20 2b8hA1 ILE 193 HG13 -0.09 -0.10 -0.55 -0.04 1.21 0.42 2b8hA1 ILE 193 HG23 0.10 0.00 -0.28 -0.04 0.93 0.72 2b8hA1 ILE 193 HD13 -0.20 -0.00 -0.21 -0.04 0.88 0.43 2b8hA1 CYS 194 H 0.07 0.53 0.30 -0.55 8.50 8.85 2b8hA1 CYS 194 HA -0.07 0.30 0.97 -0.75 4.58 5.03 2b8hA1 CYS 194 HB2 -0.02 -0.02 -0.01 -0.04 2.97 2.88 2b8hA1 CYS 194 HB3 -0.11 0.00 -0.41 -0.04 2.97 2.41 2b8hA1 ILE 195 H -0.23 0.57 0.29 -0.55 8.25 8.33 2b8hA1 ILE 195 HA -0.28 0.38 1.11 -0.75 4.18 4.63 2b8hA1 ILE 195 HB -0.51 -0.05 0.08 -0.04 1.89 1.38 2b8hA1 ILE 195 HG12 -0.05 -0.02 -0.28 -0.04 1.49 1.10 2b8hA1 ILE 195 HG13 -0.04 -0.09 -0.36 -0.04 1.21 0.67 2b8hA1 ILE 195 HG23 -0.55 0.04 -0.28 -0.04 0.93 0.10 2b8hA1 ILE 195 HD13 0.10 -0.01 -0.42 -0.04 0.88 0.51 2b8hA1 SER 196 H -0.39 0.60 0.40 -0.55 8.46 8.53 2b8hA1 SER 196 HA -1.30 0.11 0.82 -0.75 4.49 3.36 2b8hA1 SER 196 HB2 -0.17 -0.05 0.10 -0.04 3.95 3.79 2b8hA1 SER 196 HB3 -0.28 0.15 -0.10 -0.04 3.93 3.66 2b8hA1 GLY 197 H 0.28 0.16 0.11 -0.55 8.43 8.43 2b8hA1 GLY 197 HA2 0.10 0.03 0.27 -0.51 4.01 3.91 2b8hA1 GLY 197 HA3 0.10 0.25 0.87 -0.51 4.01 4.72 2b8hA1 PRO 198 HA 0.05 0.16 0.55 -0.51 4.44 4.69 2b8hA1 PRO 198 HB2 0.01 -0.06 0.04 -0.04 2.28 2.24 2b8hA1 PRO 198 HB3 0.02 0.09 0.08 -0.04 2.02 2.18 2b8hA1 PRO 198 HG2 0.03 -0.07 -0.06 -0.04 2.03 1.90 2b8hA1 PRO 198 HG3 0.02 0.11 0.03 -0.04 2.03 2.15 2b8hA1 PRO 198 HD2 0.06 0.29 0.04 -0.04 3.68 4.03 2b8hA1 PRO 198 HD3 0.06 0.14 0.11 -0.04 3.65 3.92 2b8hA1 ASN 199 H -0.03 0.20 0.13 -0.55 8.53 8.28 2b8hA1 ASN 199 HA -0.01 0.10 0.20 -0.75 4.76 4.30 2b8hA1 ASN 199 HB2 -0.05 0.01 0.11 -0.04 2.88 2.91 2b8hA1 ASN 199 HB3 -0.06 0.02 0.03 -0.04 2.79 2.74 2b8hA1 ASN 199 HD21 -0.13 0.04 0.03 -0.04 7.03 6.94 2b8hA1 ASN 199 HD22 -0.08 0.01 0.02 -0.04 7.74 7.66 2b8hA1 ASN 200 H -0.00 0.04 -0.32 -0.55 8.53 7.70 2b8hA1 ASN 200 HA -0.02 0.28 0.62 -0.75 4.76 4.89 2b8hA1 ASN 200 HB2 -0.01 0.07 0.18 -0.04 2.88 3.07 2b8hA1 ASN 200 HB3 -0.02 0.01 0.04 -0.04 2.79 2.79 2b8hA1 ASN 200 HD21 -0.01 -0.00 -0.02 -0.04 7.03 6.96 2b8hA1 ASN 200 HD22 -0.01 0.04 0.01 -0.04 7.74 7.74 2b8hA1 ASN 201 H 0.03 0.43 -0.41 -0.55 8.53 8.03 2b8hA1 ASN 201 HA -0.01 0.12 0.64 -0.75 4.76 4.76 2b8hA1 ASN 201 HB2 0.01 -0.13 -0.33 -0.04 2.88 2.38 2b8hA1 ASN 201 HB3 0.01 0.00 0.14 -0.04 2.79 2.90 2b8hA1 ASN 201 HD21 0.00 0.01 0.00 -0.04 7.03 7.00 2b8hA1 ASN 201 HD22 0.00 -0.05 -0.03 -0.04 7.74 7.63 2b8hA1 ALA 202 H 0.02 -0.01 -0.00 -0.55 8.40 7.85 2b8hA1 ALA 202 HA 0.03 0.29 0.70 -0.75 4.34 4.60 2b8hA1 ALA 202 HB3 0.11 -0.02 -0.05 -0.04 1.41 1.41 2b8hA1 SER 203 H -0.14 0.61 0.41 -0.55 8.46 8.79 2b8hA1 SER 203 HA -0.11 0.14 0.82 -0.75 4.49 4.59 2b8hA1 SER 203 HB2 -0.06 0.04 -0.02 -0.04 3.95 3.88 2b8hA1 SER 203 HB3 -0.05 0.02 -0.17 -0.04 3.93 3.68 2b8hA1 ALA 204 H -0.10 0.62 0.31 -0.55 8.40 8.68 2b8hA1 ALA 204 HA -0.06 0.24 0.84 -0.75 4.34 4.61 2b8hA1 ALA 204 HB3 0.00 -0.02 -0.04 -0.04 1.41 1.31 2b8hA1 VAL 205 H 0.03 0.67 0.38 -0.55 8.24 8.77 2b8hA1 VAL 205 HA -0.02 0.24 0.97 -0.75 4.13 4.57 2b8hA1 VAL 205 HB 0.27 -0.02 0.17 -0.04 2.12 2.50 2b8hA1 VAL 205 HG13 -0.24 0.00 -0.10 -0.04 0.97 0.60 2b8hA1 VAL 205 HG23 0.01 0.01 -0.07 -0.04 0.95 0.86 2b8hA1 ILE 206 H -0.05 0.84 0.34 -0.55 8.25 8.83 2b8hA1 ILE 206 HA 0.04 0.14 0.85 -0.75 4.18 4.46 2b8hA1 ILE 206 HB -0.09 0.01 0.17 -0.04 1.89 1.94 2b8hA1 ILE 206 HG12 -0.74 -0.01 -0.19 -0.04 1.49 0.51 2b8hA1 ILE 206 HG13 -0.13 -0.02 -0.26 -0.04 1.21 0.76 2b8hA1 ILE 206 HG23 -0.33 -0.01 -0.17 -0.04 0.93 0.38 2b8hA1 ILE 206 HD13 0.02 -0.01 -0.32 -0.04 0.88 0.53 2b8hA1 TRP 207 H 0.34 0.93 0.46 -0.55 7.97 9.15 2b8hA1 TRP 207 HA 0.01 0.21 0.86 -0.75 4.62 4.95 2b8hA1 TRP 207 HB2 -0.01 -0.02 0.12 -0.04 3.23 3.28 2b8hA1 TRP 207 HB3 -0.00 -0.07 -0.15 -0.04 3.23 2.96 2b8hA1 TRP 207 HD1 -0.04 0.13 -0.25 -0.04 7.22 7.02 2b8hA1 TRP 207 HE1 -0.03 -0.03 -0.05 -0.04 10.20 10.04 2b8hA1 TRP 207 HE3 -0.01 -0.15 -0.69 -0.04 7.59 6.71 2b8hA1 TRP 207 HZ2 -0.02 -0.06 -0.02 -0.04 7.44 7.30 2b8hA1 TRP 207 HZ3 -0.01 0.20 -0.05 -0.04 7.13 7.23 2b8hA1 TRP 207 HH2 -0.01 -0.02 -0.03 -0.04 7.19 7.09 2b8hA1 TYR 208 H 0.20 0.82 0.25 -0.55 8.29 9.01 2b8hA1 TYR 208 HA 0.07 0.21 0.81 -0.75 4.56 4.90 2b8hA1 TYR 208 HB2 0.03 -0.05 -0.36 -0.04 3.06 2.64 2b8hA1 TYR 208 HB3 0.03 0.15 -0.11 -0.04 2.98 3.01 2b8hA1 TYR 208 HD2 0.04 0.07 -0.19 -0.04 7.15 7.03 2b8hA1 TYR 208 HE2 0.06 0.03 -0.13 -0.04 6.85 6.77 2b8hA1 ASN 209 H -0.42 0.50 0.20 -0.55 8.53 8.25 2b8hA1 ASN 209 HA -0.21 -0.06 0.39 -0.75 4.76 4.12 2b8hA1 ASN 209 HB2 -0.44 -0.08 -0.12 -0.04 2.88 2.21 2b8hA1 ASN 209 HB3 -0.06 0.20 0.08 -0.04 2.79 2.97 2b8hA1 ASN 209 HD21 -0.01 -0.00 0.03 -0.04 7.03 7.00 2b8hA1 ASN 209 HD22 0.01 0.03 0.03 -0.04 7.74 7.76 2b8hA1 ARG 210 H 0.07 0.06 -0.19 -0.55 8.46 7.85 2b8hA1 ARG 210 HA 0.26 0.02 0.16 -0.75 4.34 4.03 2b8hA1 ARG 210 HB2 0.08 0.17 -0.03 -0.04 1.90 2.07 2b8hA1 ARG 210 HB3 0.11 0.03 0.15 -0.04 1.80 2.05 2b8hA1 ARG 210 HG2 0.01 -0.00 -0.05 -0.04 1.67 1.60 2b8hA1 ARG 210 HG3 0.00 -0.12 -0.31 -0.04 1.67 1.20 2b8hA1 ARG 210 HD2 0.00 -0.01 -0.08 -0.04 3.22 3.08 2b8hA1 ARG 210 HD3 0.01 0.05 -0.04 -0.04 3.22 3.20 2b8hA1 ARG 211 H 0.20 0.27 -0.43 -0.55 8.46 7.93 2b8hA1 ARG 211 HA 0.01 0.20 0.91 -0.75 4.34 4.71 2b8hA1 ARG 211 HB2 0.02 0.05 -0.02 -0.04 1.90 1.91 2b8hA1 ARG 211 HB3 -0.08 0.06 -0.01 -0.04 1.80 1.74 2b8hA1 ARG 211 HG2 0.04 0.00 -0.07 -0.04 1.67 1.60 2b8hA1 ARG 211 HG3 0.06 0.12 -0.27 -0.04 1.67 1.54 2b8hA1 ARG 211 HD2 0.03 0.00 -0.02 -0.04 3.22 3.19 2b8hA1 ARG 211 HD3 -0.00 -0.01 -0.01 -0.04 3.22 3.15 2b8hA1 PRO 212 HA -0.96 0.06 0.53 -0.51 4.44 3.55 2b8hA1 PRO 212 HB2 -0.53 0.03 -0.08 -0.04 2.28 1.66 2b8hA1 PRO 212 HB3 -1.36 -0.01 0.04 -0.04 2.02 0.65 2b8hA1 PRO 212 HG2 -0.38 0.05 0.12 -0.04 2.03 1.77 2b8hA1 PRO 212 HG3 -0.54 0.02 0.07 -0.04 2.03 1.53 2b8hA1 PRO 212 HD2 -0.38 0.10 0.23 -0.04 3.68 3.58 2b8hA1 PRO 212 HD3 -1.32 0.13 0.15 -0.04 3.65 2.58 2b8hA1 VAL 213 H -0.23 0.61 0.49 -0.55 8.24 8.56 2b8hA1 VAL 213 HA -0.09 0.20 1.07 -0.75 4.13 4.56 2b8hA1 VAL 213 HB -0.01 0.01 0.10 -0.04 2.12 2.19 2b8hA1 VAL 213 HG13 0.01 0.01 -0.19 -0.04 0.97 0.75 2b8hA1 VAL 213 HG23 0.05 0.03 -0.10 -0.04 0.95 0.89 2b8hA1 THR 214 H -0.09 0.30 0.41 -0.55 8.28 8.36 2b8hA1 THR 214 HA -0.01 0.15 0.90 -0.75 4.39 4.67 2b8hA1 THR 214 HB 0.06 -0.06 0.07 -0.04 4.32 4.34 2b8hA1 THR 214 HG23 0.11 -0.02 -0.05 -0.04 1.22 1.21 2b8hA1 GLU 215 H -0.01 0.27 0.22 -0.55 8.60 8.53 2b8hA1 GLU 215 HA -0.04 0.31 0.96 -0.75 4.29 4.77 2b8hA1 GLU 215 HB2 -0.03 -0.04 0.04 -0.04 2.09 2.02 2b8hA1 GLU 215 HB3 -0.04 0.06 0.05 -0.04 1.99 2.03 2b8hA1 GLU 215 HG2 -0.06 0.01 -0.07 -0.04 2.34 2.18 2b8hA1 GLU 215 HG3 -0.08 0.05 -0.19 -0.04 2.34 2.08 2b8hA1 ILE 216 H -0.06 0.59 0.26 -0.55 8.25 8.50 2b8hA1 ILE 216 HA -0.03 0.16 0.91 -0.75 4.18 4.47 2b8hA1 ILE 216 HB -0.21 -0.11 0.07 -0.04 1.89 1.60 2b8hA1 ILE 216 HG12 -0.10 0.08 -0.16 -0.04 1.49 1.27 2b8hA1 ILE 216 HG13 -0.07 -0.08 -0.49 -0.04 1.21 0.53 2b8hA1 ILE 216 HG23 -0.09 0.05 -0.13 -0.04 0.93 0.72 2b8hA1 ILE 216 HD13 -0.68 -0.01 -0.17 -0.04 0.88 -0.02 2b8hA1 ASN 217 H 0.00 0.15 0.10 -0.55 8.53 8.24 2b8hA1 ASN 217 HA -0.05 0.12 0.80 -0.75 4.76 4.88 2b8hA1 ASN 217 HB2 -0.00 -0.04 0.08 -0.04 2.88 2.88 2b8hA1 ASN 217 HB3 0.02 0.06 0.00 -0.04 2.79 2.83 2b8hA1 ASN 217 HD21 -0.00 -0.04 0.01 -0.04 7.03 6.96 2b8hA1 ASN 217 HD22 0.01 0.02 -0.01 -0.04 7.74 7.72 2b8hA1 THR 218 H -0.09 0.54 0.26 -0.55 8.28 8.44 2b8hA1 THR 218 HA -0.44 -0.06 0.43 -0.75 4.39 3.57 2b8hA1 THR 218 HB -0.15 0.13 0.14 -0.04 4.32 4.40 2b8hA1 THR 218 HG23 -0.05 0.04 -0.02 -0.04 1.22 1.15 2b8hA1 TRP 219 H -0.82 0.04 0.18 -0.55 7.97 6.83 2b8hA1 TRP 219 HA -0.06 0.28 0.90 -0.75 4.62 4.99 2b8hA1 TRP 219 HB2 -0.09 0.02 0.08 -0.04 3.23 3.20 2b8hA1 TRP 219 HB3 -0.15 0.08 0.00 -0.04 3.23 3.12 2b8hA1 TRP 219 HD1 -0.05 0.01 -0.22 -0.04 7.22 6.92 2b8hA1 TRP 219 HE1 -0.05 0.32 0.04 -0.04 10.20 10.47 2b8hA1 TRP 219 HE3 -0.26 0.17 -0.08 -0.04 7.59 7.38 2b8hA1 TRP 219 HZ2 0.01 0.07 -0.24 -0.04 7.44 7.24 2b8hA1 TRP 219 HZ3 -0.59 -0.02 -0.16 -0.04 7.13 6.32 2b8hA1 TRP 219 HH2 -0.33 -0.03 -0.15 -0.04 7.19 6.64 2b8hA1 ALA 220 H -0.37 -0.14 0.05 -0.55 8.40 7.40 2b8hA1 ALA 220 HA 0.05 0.32 0.84 -0.75 4.34 4.80 2b8hA1 ALA 220 HB3 0.02 -0.01 -0.14 -0.04 1.41 1.24 2b8hA1 ARG 221 H -0.13 -0.03 -0.15 -0.55 8.46 7.59 2b8hA1 ARG 221 HA -0.07 -0.05 0.18 -0.75 4.34 3.65 2b8hA1 ARG 221 HB2 -0.02 0.11 -0.14 -0.04 1.90 1.81 2b8hA1 ARG 221 HB3 -0.02 0.04 0.23 -0.04 1.80 2.00 2b8hA1 ARG 221 HG2 -0.02 0.06 -0.04 -0.04 1.67 1.62 2b8hA1 ARG 221 HG3 -0.01 -0.06 -0.32 -0.04 1.67 1.24 2b8hA1 ARG 221 HD2 -0.00 -0.02 -0.06 -0.04 3.22 3.10 2b8hA1 ARG 221 HD3 -0.01 0.07 0.04 -0.04 3.22 3.28 2b8hA1 ASN 222 H -0.12 -0.09 -0.34 -0.55 8.53 7.43 2b8hA1 ASN 222 HA -0.04 0.18 0.62 -0.75 4.76 4.76 2b8hA1 ASN 222 HB2 -0.04 0.20 -0.28 -0.04 2.88 2.71 2b8hA1 ASN 222 HB3 -0.04 -0.19 -0.00 -0.04 2.79 2.52 2b8hA1 ASN 222 HD21 -0.03 -0.04 -0.11 -0.04 7.03 6.81 2b8hA1 ASN 222 HD22 -0.03 -0.00 -0.12 -0.04 7.74 7.55 2b8hA1 ILE 223 H -0.01 0.76 0.21 -0.55 8.25 8.67 2b8hA1 ILE 223 HA 0.13 0.03 0.34 -0.75 4.18 3.93 2b8hA1 ILE 223 HB -0.01 0.14 0.03 -0.04 1.89 2.01 2b8hA1 ILE 223 HG12 -0.12 -0.05 0.04 -0.04 1.49 1.32 2b8hA1 ILE 223 HG13 -0.05 -0.11 -0.24 -0.04 1.21 0.77 2b8hA1 ILE 223 HG23 -0.12 0.01 -0.08 -0.04 0.93 0.70 2b8hA1 ILE 223 HD13 -0.11 0.01 -0.05 -0.04 0.88 0.69 2b8hA1 LEU 224 H -0.02 -0.07 -0.04 -0.55 8.37 7.69 2b8hA1 LEU 224 HA -0.22 0.18 0.67 -0.75 4.35 4.23 2b8hA1 LEU 224 HB2 -0.34 -0.15 0.04 -0.04 1.64 1.14 2b8hA1 LEU 224 HB3 -0.10 -0.05 -0.07 -0.04 1.64 1.38 2b8hA1 LEU 224 HG -0.09 0.04 -0.38 -0.04 1.64 1.16 2b8hA1 LEU 224 HD13 -0.80 0.01 -0.11 -0.04 0.93 -0.01 2b8hA1 LEU 224 HD23 -0.27 -0.03 -0.33 -0.04 0.89 0.22 2b8hA1 ARG 225 H 0.05 0.49 0.41 -0.55 8.46 8.85 2b8hA1 ARG 225 HA 0.15 0.02 0.66 -0.75 4.34 4.41 2b8hA1 ARG 225 HB2 0.16 -0.03 0.13 -0.04 1.90 2.11 2b8hA1 ARG 225 HB3 0.26 0.10 -0.26 -0.04 1.80 1.86 2b8hA1 ARG 225 HG2 0.07 0.20 0.16 -0.04 1.67 2.07 2b8hA1 ARG 225 HG3 0.09 -0.12 -0.02 -0.04 1.67 1.57 2b8hA1 ARG 225 HD2 0.11 -0.06 -0.02 -0.04 3.22 3.20 2b8hA1 ARG 225 HD3 0.09 0.14 -0.01 -0.04 3.22 3.40 2b8hA1 THR 226 H 0.05 0.16 0.12 -0.55 8.28 8.06 2b8hA1 THR 226 HA -0.16 0.28 0.87 -0.75 4.39 4.63 2b8hA1 THR 226 HB -0.50 0.01 -0.25 -0.04 4.32 3.54 2b8hA1 THR 226 HG23 -0.15 0.01 -0.37 -0.04 1.22 0.66 2b8hA1 GLN 227 H -0.20 0.13 0.15 -0.55 8.47 8.01 2b8hA1 GLN 227 HA -0.07 -0.17 0.18 -0.75 4.36 3.55 2b8hA1 GLN 227 HB2 -0.18 0.01 0.25 -0.04 2.15 2.19 2b8hA1 GLN 227 HB3 -0.11 0.46 0.14 -0.04 2.02 2.46 2b8hA1 GLN 227 HG2 -0.11 -0.10 0.13 -0.04 2.40 2.28 2b8hA1 GLN 227 HG3 -0.21 -0.03 0.20 -0.04 2.39 2.32 2b8hA1 GLN 227 HE21 -0.07 0.01 -0.05 -0.04 6.97 6.82 2b8hA1 GLN 227 HE22 -0.11 0.16 -0.09 -0.04 7.69 7.60 2b8hA1 GLU 228 H -0.10 0.31 0.13 -0.55 8.60 8.39 2b8hA1 GLU 228 HA -0.05 0.04 0.37 -0.75 4.29 3.90 2b8hA1 GLU 228 HB2 0.16 0.12 0.33 -0.04 2.09 2.67 2b8hA1 GLU 228 HB3 0.20 -0.01 0.23 -0.04 1.99 2.37 2b8hA1 GLU 228 HG2 0.10 0.09 -0.31 -0.04 2.34 2.18 2b8hA1 GLU 228 HG3 0.29 -0.02 0.06 -0.04 2.34 2.62 2b8hA1 SER 229 H -0.34 0.16 -0.10 -0.55 8.46 7.63 2b8hA1 SER 229 HA -1.07 0.03 0.19 -0.75 4.49 2.88 2b8hA1 SER 229 HB2 0.10 -0.08 0.29 -0.04 3.95 4.22 2b8hA1 SER 229 HB3 0.15 0.17 0.13 -0.04 3.93 4.34 2b8hA1 GLU 230 H -0.08 0.19 0.26 -0.55 8.60 8.43 2b8hA1 GLU 230 HA -0.16 -0.09 0.59 -0.75 4.29 3.87 2b8hA1 GLU 230 HB2 0.06 0.12 0.42 -0.04 2.09 2.64 2b8hA1 GLU 230 HB3 0.08 -0.02 0.29 -0.04 1.99 2.30 2b8hA1 GLU 230 HG2 0.21 0.11 0.39 -0.04 2.34 3.00 2b8hA1 GLU 230 HG3 0.14 0.09 -0.03 -0.04 2.34 2.50 2b8hA1 CYS 231 H -0.05 0.06 0.18 -0.55 8.50 8.15 2b8hA1 CYS 231 HA -0.02 0.16 0.73 -0.75 4.58 4.69 2b8hA1 CYS 231 HB2 0.01 0.11 0.06 -0.04 2.97 3.11 2b8hA1 CYS 231 HB3 -0.04 -0.01 0.11 -0.04 2.97 2.99 2b8hA1 VAL 232 H -0.01 0.37 0.13 -0.55 8.24 8.17 2b8hA1 VAL 232 HA -0.07 0.12 0.80 -0.75 4.13 4.22 2b8hA1 VAL 232 HB -0.07 0.01 -0.08 -0.04 2.12 1.94 2b8hA1 VAL 232 HG13 -0.40 0.01 -0.05 -0.04 0.97 0.49 2b8hA1 VAL 232 HG23 0.05 -0.02 -0.44 -0.04 0.95 0.49 2b8hA1 CYS 233 H -0.14 0.18 0.14 -0.55 8.50 8.13 2b8hA1 CYS 233 HA -0.01 0.42 1.02 -0.75 4.58 5.24 2b8hA1 CYS 233 HB2 0.07 -0.01 -0.02 -0.04 2.97 2.98 2b8hA1 CYS 233 HB3 0.01 -0.08 -0.24 -0.04 2.97 2.61 2b8hA1 GLN 234 H -0.03 0.76 0.21 -0.55 8.47 8.86 2b8hA1 GLN 234 HA -0.02 0.18 0.79 -0.75 4.36 4.56 2b8hA1 GLN 234 HB2 -0.03 -0.06 0.02 -0.04 2.15 2.04 2b8hA1 GLN 234 HB3 -0.02 0.07 -0.04 -0.04 2.02 1.99 2b8hA1 GLN 234 HG2 0.00 -0.00 -0.10 -0.04 2.40 2.26 2b8hA1 GLN 234 HG3 -0.00 0.09 -0.29 -0.04 2.39 2.14 2b8hA1 GLN 234 HE21 0.02 0.00 -0.04 -0.04 6.97 6.91 2b8hA1 GLN 234 HE22 0.01 0.00 -0.08 -0.04 7.69 7.58 2b8hA1 ASN 235 H 0.04 0.62 0.17 -0.55 8.53 8.82 2b8hA1 ASN 235 HA 0.11 0.06 0.19 -0.75 4.76 4.36 2b8hA1 ASN 235 HB2 0.03 -0.06 -0.06 -0.04 2.88 2.75 2b8hA1 ASN 235 HB3 -0.02 0.17 0.08 -0.04 2.79 2.97 2b8hA1 ASN 235 HD21 0.05 -0.01 0.04 -0.04 7.03 7.08 2b8hA1 ASN 235 HD22 0.01 0.04 0.05 -0.04 7.74 7.80 2b8hA1 GLY 236 H -0.20 0.11 -0.28 -0.55 8.43 7.52 2b8hA1 GLY 236 HA2 -0.88 -0.08 0.32 -0.51 4.01 2.85 2b8hA1 GLY 236 HA3 -1.49 0.15 0.49 -0.51 4.01 2.64 2b8hA1 VAL 237 H -0.14 0.45 -0.41 -0.55 8.24 7.58 2b8hA1 VAL 237 HA -0.03 0.33 0.99 -0.75 4.13 4.66 2b8hA1 VAL 237 HB -0.01 0.10 0.18 -0.04 2.12 2.34 2b8hA1 VAL 237 HG13 0.10 -0.00 -0.15 -0.04 0.97 0.88 2b8hA1 VAL 237 HG23 -0.06 0.03 -0.08 -0.04 0.95 0.79 2b8hA1 CYS 238 H 0.10 0.62 0.23 -0.55 8.50 8.91 2b8hA1 CYS 238 HA 0.05 0.35 0.93 -0.75 4.58 5.16 2b8hA1 CYS 238 HB2 0.17 -0.07 0.08 -0.04 2.97 3.10 2b8hA1 CYS 238 HB3 0.09 0.03 -0.16 -0.04 2.97 2.89 2b8hA1 PRO 239 HA -0.18 0.37 0.81 -0.51 4.44 4.93 2b8hA1 PRO 239 HB2 -0.14 -0.03 -0.13 -0.04 2.28 1.94 2b8hA1 PRO 239 HB3 -0.37 0.03 -0.04 -0.04 2.02 1.59 2b8hA1 PRO 239 HG2 -0.01 -0.01 0.00 -0.04 2.03 1.96 2b8hA1 PRO 239 HG3 0.09 -0.00 -0.06 -0.04 2.03 2.01 2b8hA1 PRO 239 HD2 0.01 0.42 0.35 -0.04 3.68 4.42 2b8hA1 PRO 239 HD3 0.07 0.17 0.03 -0.04 3.65 3.88 2b8hA1 VAL 240 H -0.02 0.70 0.34 -0.55 8.24 8.71 2b8hA1 VAL 240 HA -0.03 0.10 0.68 -0.75 4.13 4.12 2b8hA1 VAL 240 HB 0.53 -0.03 -0.02 -0.04 2.12 2.55 2b8hA1 VAL 240 HG13 -0.40 -0.01 -0.24 -0.04 0.97 0.27 2b8hA1 VAL 240 HG23 0.15 0.02 -0.33 -0.04 0.95 0.75 2b8hA1 VAL 241 H -0.11 0.16 0.09 -0.55 8.24 7.84 2b8hA1 VAL 241 HA 0.07 0.29 1.00 -0.75 4.13 4.74 2b8hA1 VAL 241 HB -0.07 -0.07 0.07 -0.04 2.12 2.01 2b8hA1 VAL 241 HG13 -0.00 0.02 -0.22 -0.04 0.97 0.72 2b8hA1 VAL 241 HG23 -0.08 0.00 -0.15 -0.04 0.95 0.68 2b8hA1 PHE 242 H 0.39 0.69 0.39 -0.55 8.34 9.26 2b8hA1 PHE 242 HA 0.10 0.25 1.08 -0.75 4.62 5.29 2b8hA1 PHE 242 HB2 0.50 -0.04 0.04 -0.04 3.15 3.61 2b8hA1 PHE 242 HB3 0.29 0.03 -0.03 -0.04 3.06 3.31 2b8hA1 PHE 242 HD2 0.14 0.06 -0.18 -0.04 7.28 7.26 2b8hA1 PHE 242 HE2 0.11 -0.02 -0.22 -0.04 7.38 7.22 2b8hA1 PHE 242 HZ 0.03 -0.02 -0.22 -0.04 7.32 7.08 2b8hA1 THR 243 H 0.19 0.66 0.36 -0.55 8.28 8.94 2b8hA1 THR 243 HA 0.26 0.20 0.83 -0.75 4.39 4.92 2b8hA1 THR 243 HB 0.06 -0.03 0.04 -0.04 4.32 4.35 2b8hA1 THR 243 HG23 -0.03 -0.01 -0.22 -0.04 1.22 0.92 2b8hA1 ASP 244 H 0.14 0.51 0.14 -0.55 8.40 8.64 2b8hA1 ASP 244 HA -0.18 0.23 0.46 -0.75 4.63 4.38 2b8hA1 ASP 244 HB2 -1.23 0.04 -0.10 -0.04 2.71 1.39 2b8hA1 ASP 244 HB3 -0.92 0.04 0.08 -0.04 2.70 1.85 2b8hA1 GLY 245 H -0.06 0.68 0.11 -0.55 8.43 8.61 2b8hA1 GLY 245 HA2 -0.03 0.04 0.27 -0.51 4.01 3.78 2b8hA1 GLY 245 HA3 0.01 0.05 0.87 -0.51 4.01 4.43 2b8hA1 SER 246 H -0.02 0.19 0.11 -0.55 8.46 8.20 2b8hA1 SER 246 HA -0.02 0.01 0.20 -0.75 4.49 3.92 2b8hA1 SER 246 HB2 -0.08 0.05 0.06 -0.04 3.95 3.94 2b8hA1 SER 246 HB3 -0.11 0.15 -0.08 -0.04 3.93 3.85 2b8hA1 ALA 247 H 0.01 0.12 0.13 -0.55 8.40 8.11 2b8hA1 ALA 247 HA 0.17 0.16 0.66 -0.75 4.34 4.58 2b8hA1 ALA 247 HB3 0.04 0.02 0.03 -0.04 1.41 1.46 2b8hA1 THR 248 H -0.10 -0.00 -0.22 -0.55 8.28 7.40 2b8hA1 THR 248 HA -0.07 0.22 0.78 -0.75 4.39 4.57 2b8hA1 THR 248 HB 0.00 0.04 0.16 -0.04 4.32 4.49 2b8hA1 THR 248 HG23 0.00 0.00 -0.16 -0.04 1.22 1.02 2b8hA1 GLY 249 H -0.40 0.38 -0.24 -0.55 8.43 7.62 2b8hA1 GLY 249 HA2 -2.30 0.09 0.27 -0.51 4.01 1.56 2b8hA1 GLY 249 HA3 -0.71 0.05 0.40 -0.51 4.01 3.25 2b8hA1 PRO 250 HA 0.01 0.14 0.61 -0.51 4.44 4.69 2b8hA1 PRO 250 HB2 -0.06 -0.01 0.06 -0.04 2.28 2.23 2b8hA1 PRO 250 HB3 0.05 0.09 0.15 -0.04 2.02 2.26 2b8hA1 PRO 250 HG2 -0.10 0.02 0.10 -0.04 2.03 2.01 2b8hA1 PRO 250 HG3 -0.10 0.06 0.10 -0.04 2.03 2.05 2b8hA1 PRO 250 HD2 -0.44 0.08 0.22 -0.04 3.68 3.50 2b8hA1 PRO 250 HD3 -1.32 0.12 0.19 -0.04 3.65 2.60 2b8hA1 ALA 251 H 0.05 0.29 0.30 -0.55 8.40 8.49 2b8hA1 ALA 251 HA 0.03 0.04 0.75 -0.75 4.34 4.40 2b8hA1 ALA 251 HB3 -0.01 0.08 -0.19 -0.04 1.41 1.25 2b8hA1 GLU 252 H 0.14 0.62 0.28 -0.55 8.60 9.09 2b8hA1 GLU 252 HA 0.14 0.20 1.01 -0.75 4.29 4.89 2b8hA1 GLU 252 HB2 0.55 -0.02 0.21 -0.04 2.09 2.79 2b8hA1 GLU 252 HB3 0.24 0.02 0.01 -0.04 1.99 2.22 2b8hA1 GLU 252 HG2 0.13 0.06 -0.07 -0.04 2.34 2.42 2b8hA1 GLU 252 HG3 0.15 -0.05 -0.11 -0.04 2.34 2.29 2b8hA1 THR 253 H 0.11 0.23 0.10 -0.55 8.28 8.17 2b8hA1 THR 253 HA 0.24 0.30 1.06 -0.75 4.39 5.24 2b8hA1 THR 253 HB 0.06 -0.03 0.09 -0.04 4.32 4.40 2b8hA1 THR 253 HG23 0.05 0.02 -0.16 -0.04 1.22 1.08 2b8hA1 ARG 254 H 0.28 0.64 0.32 -0.55 8.46 9.14 2b8hA1 ARG 254 HA 0.03 0.27 0.92 -0.75 4.34 4.81 2b8hA1 ARG 254 HB2 -0.07 -0.08 -0.02 -0.04 1.90 1.69 2b8hA1 ARG 254 HB3 -0.35 0.02 -0.13 -0.04 1.80 1.30 2b8hA1 ARG 254 HG2 -0.47 0.07 -0.23 -0.04 1.67 1.00 2b8hA1 ARG 254 HG3 -0.66 -0.01 -0.42 -0.04 1.67 0.54 2b8hA1 ARG 254 HD2 -3.01 -0.04 -0.15 -0.04 3.22 -0.02 2b8hA1 ARG 254 HD3 -2.32 0.00 -0.17 -0.04 3.22 0.69 2b8hA1 ILE 255 H -0.01 0.69 0.17 -0.55 8.25 8.54 2b8hA1 ILE 255 HA -0.02 0.20 0.97 -0.75 4.18 4.58 2b8hA1 ILE 255 HB -0.20 0.00 0.03 -0.04 1.89 1.69 2b8hA1 ILE 255 HG12 -0.58 -0.01 -0.19 -0.04 1.49 0.67 2b8hA1 ILE 255 HG13 -0.24 -0.02 -0.17 -0.04 1.21 0.74 2b8hA1 ILE 255 HG23 -0.52 -0.01 -0.31 -0.04 0.93 0.06 2b8hA1 ILE 255 HD13 -0.36 -0.01 -0.40 -0.04 0.88 0.07 2b8hA1 TYR 256 H 0.23 0.66 0.25 -0.55 8.29 8.88 2b8hA1 TYR 256 HA -0.09 0.21 0.98 -0.75 4.56 4.91 2b8hA1 TYR 256 HB2 0.17 0.02 0.07 -0.04 3.06 3.27 2b8hA1 TYR 256 HB3 -0.94 -0.00 -0.12 -0.04 2.98 1.88 2b8hA1 TYR 256 HD2 -0.16 0.02 -0.17 -0.04 7.15 6.80 2b8hA1 TYR 256 HE2 -0.61 0.00 -0.14 -0.04 6.85 6.06 2b8hA1 TYR 257 H -0.04 0.73 0.32 -0.55 8.29 8.75 2b8hA1 TYR 257 HA -0.02 0.14 0.80 -0.75 4.56 4.73 2b8hA1 TYR 257 HB2 -0.09 -0.04 0.13 -0.04 3.06 3.02 2b8hA1 TYR 257 HB3 -0.04 0.04 -0.07 -0.04 2.98 2.86 2b8hA1 TYR 257 HD2 -0.06 0.04 -0.23 -0.04 7.15 6.87 2b8hA1 TYR 257 HE2 -0.02 -0.00 -0.26 -0.04 6.85 6.53 2b8hA1 PHE 258 H 0.22 0.45 0.08 -0.55 8.34 8.54 2b8hA1 PHE 258 HA 0.09 0.37 0.98 -0.75 4.62 5.31 2b8hA1 PHE 258 HB2 0.06 0.03 0.00 -0.04 3.15 3.19 2b8hA1 PHE 258 HB3 0.03 -0.12 -0.19 -0.04 3.06 2.74 2b8hA1 PHE 258 HD2 0.09 0.13 -0.43 -0.04 7.28 7.03 2b8hA1 PHE 258 HE2 0.18 -0.00 -0.22 -0.04 7.38 7.30 2b8hA1 PHE 258 HZ -0.10 -0.01 -0.21 -0.04 7.32 6.96 2b8hA1 LYS 259 H 0.10 0.67 0.22 -0.55 8.42 8.85 2b8hA1 LYS 259 HA -0.08 0.26 0.62 -0.75 4.32 4.37 2b8hA1 LYS 259 HB2 -0.07 0.07 0.02 -0.04 1.87 1.85 2b8hA1 LYS 259 HB3 -0.03 -0.02 0.07 -0.04 1.79 1.77 2b8hA1 LYS 259 HG2 -0.06 -0.05 -0.15 -0.04 1.46 1.16 2b8hA1 LYS 259 HG3 -0.24 -0.00 0.09 -0.04 1.46 1.27 2b8hA1 LYS 259 HD2 -0.16 0.06 -0.11 -0.04 1.69 1.43 2b8hA1 LYS 259 HD3 -0.05 -0.02 -0.04 -0.04 1.68 1.53 2b8hA1 LYS 259 HE2 0.07 -0.04 -0.02 -0.04 2.99 2.96 2b8hA1 LYS 259 HE3 -0.16 -0.08 0.00 -0.04 2.99 2.71 2b8hA1 GLU 260 H -0.35 0.20 0.09 -0.55 8.60 8.00 2b8hA1 GLU 260 HA -2.05 -0.01 0.25 -0.75 4.29 1.73 2b8hA1 GLU 260 HB2 -0.16 0.15 -0.16 -0.04 2.09 1.88 2b8hA1 GLU 260 HB3 -0.29 0.04 0.16 -0.04 1.99 1.86 2b8hA1 GLU 260 HG2 -0.11 -0.03 0.00 -0.04 2.34 2.15 2b8hA1 GLU 260 HG3 -0.02 -0.03 -0.07 -0.04 2.34 2.18 2b8hA1 GLY 261 H -0.20 0.03 -0.38 -0.55 8.43 7.33 2b8hA1 GLY 261 HA2 -0.07 -0.02 0.08 -0.51 4.01 3.49 2b8hA1 GLY 261 HA3 0.00 0.12 0.31 -0.51 4.01 3.93 2b8hA1 LYS 262 H 0.01 0.45 -0.53 -0.55 8.42 7.80 2b8hA1 LYS 262 HA 0.13 0.11 0.78 -0.75 4.32 4.59 2b8hA1 LYS 262 HB2 0.03 0.11 0.02 -0.04 1.87 1.99 2b8hA1 LYS 262 HB3 0.05 0.03 -0.05 -0.04 1.79 1.78 2b8hA1 LYS 262 HG2 0.03 0.02 -0.11 -0.04 1.46 1.37 2b8hA1 LYS 262 HG3 0.00 0.10 -0.17 -0.04 1.46 1.35 2b8hA1 LYS 262 HD2 0.01 -0.01 -0.03 -0.04 1.69 1.62 2b8hA1 LYS 262 HD3 0.02 -0.02 -0.02 -0.04 1.68 1.62 2b8hA1 LYS 262 HE2 0.01 0.04 -0.03 -0.04 2.99 2.98 2b8hA1 LYS 262 HE3 0.01 -0.00 -0.01 -0.04 2.99 2.94 2b8hA1 ILE 263 H 0.16 0.16 0.08 -0.55 8.25 8.10 2b8hA1 ILE 263 HA 0.00 0.11 0.60 -0.75 4.18 4.14 2b8hA1 ILE 263 HB 0.13 0.01 0.09 -0.04 1.89 2.08 2b8hA1 ILE 263 HG12 0.09 -0.01 -0.14 -0.04 1.49 1.39 2b8hA1 ILE 263 HG13 0.33 -0.03 -0.12 -0.04 1.21 1.35 2b8hA1 ILE 263 HG23 0.13 0.02 -0.29 -0.04 0.93 0.75 2b8hA1 ILE 263 HD13 0.20 0.00 -0.08 -0.04 0.88 0.96 2b8hA1 LEU 264 H 0.01 0.76 0.48 -0.55 8.37 9.07 2b8hA1 LEU 264 HA 0.00 0.11 0.77 -0.75 4.35 4.48 2b8hA1 LEU 264 HB2 0.02 0.04 0.02 -0.04 1.64 1.68 2b8hA1 LEU 264 HB3 -0.03 -0.01 0.00 -0.04 1.64 1.55 2b8hA1 LEU 264 HG 0.03 -0.04 -0.16 -0.04 1.64 1.43 2b8hA1 LEU 264 HD13 -0.02 -0.01 -0.12 -0.04 0.93 0.74 2b8hA1 LEU 264 HD23 0.00 -0.00 -0.11 -0.04 0.89 0.74 2b8hA1 LYS 265 H 0.02 0.31 0.23 -0.55 8.42 8.43 2b8hA1 LYS 265 HA -0.10 0.08 0.60 -0.75 4.32 4.14 2b8hA1 LYS 265 HB2 -0.13 0.16 -0.26 -0.04 1.87 1.60 2b8hA1 LYS 265 HB3 -0.08 -0.08 -0.14 -0.04 1.79 1.45 2b8hA1 LYS 265 HG2 -0.09 -0.04 -0.24 -0.04 1.46 1.06 2b8hA1 LYS 265 HG3 -0.21 0.00 0.06 -0.04 1.46 1.27 2b8hA1 LYS 265 HD2 -0.21 -0.03 -0.01 -0.04 1.69 1.41 2b8hA1 LYS 265 HD3 -0.39 -0.01 -0.04 -0.04 1.68 1.20 2b8hA1 LYS 265 HE2 -0.17 0.00 -0.02 -0.04 2.99 2.76 2b8hA1 LYS 265 HE3 -0.19 -0.07 0.01 -0.04 2.99 2.69 2b8hA1 TRP 266 H -0.35 0.28 0.21 -0.55 7.97 7.56 2b8hA1 TRP 266 HA -0.30 0.30 0.51 -0.75 4.62 4.38 2b8hA1 TRP 266 HB2 -1.23 0.02 -0.06 -0.04 3.23 1.92 2b8hA1 TRP 266 HB3 -1.49 -0.05 0.03 -0.04 3.23 1.68 2b8hA1 TRP 266 HD1 -0.28 -0.03 -0.12 -0.04 7.22 6.76 2b8hA1 TRP 266 HE1 -0.15 0.00 -0.05 -0.04 10.20 9.96 2b8hA1 TRP 266 HE3 -0.41 0.06 -0.53 -0.04 7.59 6.67 2b8hA1 TRP 266 HZ2 -0.17 -0.00 -0.05 -0.04 7.44 7.17 2b8hA1 TRP 266 HZ3 -0.27 0.01 -0.18 -0.04 7.13 6.65 2b8hA1 TRP 266 HH2 -0.21 0.00 -0.06 -0.04 7.19 6.88 2b8hA1 GLU 267 H 0.10 0.57 0.24 -0.55 8.60 8.96 2b8hA1 GLU 267 HA -0.22 0.19 0.91 -0.75 4.29 4.41 2b8hA1 GLU 267 HB2 0.19 -0.11 -0.00 -0.04 2.09 2.12 2b8hA1 GLU 267 HB3 0.14 0.16 -0.00 -0.04 1.99 2.25 2b8hA1 GLU 267 HG2 -0.04 0.04 -0.04 -0.04 2.34 2.26 2b8hA1 GLU 267 HG3 0.16 -0.05 -0.26 -0.04 2.34 2.15 2b8hA1 PRO 268 HA 0.16 0.20 0.81 -0.51 4.44 5.10 2b8hA1 PRO 268 HB2 0.10 0.14 0.06 -0.04 2.28 2.54 2b8hA1 PRO 268 HB3 0.19 -0.02 0.12 -0.04 2.02 2.27 2b8hA1 PRO 268 HG2 0.03 0.04 0.03 -0.04 2.03 2.09 2b8hA1 PRO 268 HG3 0.01 0.01 0.07 -0.04 2.03 2.08 2b8hA1 PRO 268 HD2 -0.12 0.09 0.25 -0.04 3.68 3.86 2b8hA1 PRO 268 HD3 -0.22 0.12 0.11 -0.04 3.65 3.62 2b8hA1 LEU 269 H 0.10 0.40 0.22 -0.55 8.37 8.55 2b8hA1 LEU 269 HA 0.22 -0.04 0.34 -0.75 4.35 4.13 2b8hA1 LEU 269 HB2 0.06 -0.08 -0.04 -0.04 1.64 1.54 2b8hA1 LEU 269 HB3 0.10 -0.01 0.11 -0.04 1.64 1.79 2b8hA1 LEU 269 HG 0.14 0.17 -0.34 -0.04 1.64 1.56 2b8hA1 LEU 269 HD13 0.09 -0.05 -0.12 -0.04 0.93 0.81 2b8hA1 LEU 269 HD23 0.07 -0.01 -0.23 -0.04 0.89 0.67 2b8hA1 THR 270 H 0.65 0.07 0.10 -0.55 8.28 8.56 2b8hA1 THR 270 HA 0.06 0.24 0.64 -0.75 4.39 4.57 2b8hA1 THR 270 HB -0.03 0.10 -0.03 -0.04 4.32 4.31 2b8hA1 THR 270 HG23 -0.46 -0.03 -0.05 -0.04 1.22 0.63 2b8hA1 GLY 271 H -0.01 0.10 0.18 -0.55 8.43 8.15 2b8hA1 GLY 271 HA2 0.00 0.02 0.45 -0.51 4.01 3.98 2b8hA1 GLY 271 HA3 0.01 -0.10 0.86 -0.51 4.01 4.27 2b8hA1 THR 272 H 0.04 0.46 0.18 -0.55 8.28 8.41 2b8hA1 THR 272 HA 0.08 0.24 0.53 -0.75 4.39 4.48 2b8hA1 THR 272 HB 0.13 0.23 0.15 -0.04 4.32 4.79 2b8hA1 THR 272 HG23 0.05 -0.03 -0.00 -0.04 1.22 1.20 2b8hA1 ALA 273 H -0.00 0.02 -0.34 -0.55 8.40 7.53 2b8hA1 ALA 273 HA -0.38 0.02 0.32 -0.75 4.34 3.54 2b8hA1 ALA 273 HB3 -0.16 0.03 -0.04 -0.04 1.41 1.20 2b8hA1 LYS 274 H 0.32 0.08 0.10 -0.55 8.42 8.36 2b8hA1 LYS 274 HA 0.22 0.22 0.67 -0.75 4.32 4.68 2b8hA1 LYS 274 HB2 0.20 -0.07 0.04 -0.04 1.87 2.00 2b8hA1 LYS 274 HB3 0.27 -0.03 0.06 -0.04 1.79 2.05 2b8hA1 LYS 274 HG2 0.20 0.09 0.03 -0.04 1.46 1.74 2b8hA1 LYS 274 HG3 0.02 -0.05 0.03 -0.04 1.46 1.42 2b8hA1 LYS 274 HD2 0.16 -0.08 -0.01 -0.04 1.69 1.73 2b8hA1 LYS 274 HD3 0.16 0.11 -0.33 -0.04 1.68 1.58 2b8hA1 LYS 274 HE2 0.06 -0.09 0.02 -0.04 2.99 2.94 2b8hA1 LYS 274 HE3 0.09 -0.05 -0.01 -0.04 2.99 2.98 2b8hA1 HIS 275 H 0.23 0.19 -0.09 -0.55 8.41 8.19 2b8hA1 HIS 275 HA 0.20 0.12 0.50 -0.75 4.63 4.70 2b8hA1 HIS 275 HB2 0.57 0.17 -0.26 -0.04 3.26 3.70 2b8hA1 HIS 275 HB3 0.32 -0.18 -0.03 -0.04 3.20 3.26 2b8hA1 HIS 275 HD2 0.15 -0.09 -0.18 -0.04 6.97 6.80 2b8hA1 HIS 275 HE1 0.01 0.56 0.03 -0.04 7.75 8.30 2b8hA1 ILE 276 H -0.33 0.28 0.08 -0.55 8.25 7.73 2b8hA1 ILE 276 HA 0.05 0.19 0.80 -0.75 4.18 4.47 2b8hA1 ILE 276 HB -0.02 -0.02 -0.07 -0.04 1.89 1.74 2b8hA1 ILE 276 HG12 0.01 -0.12 -0.81 -0.04 1.49 0.53 2b8hA1 ILE 276 HG13 0.00 0.03 -0.26 -0.04 1.21 0.94 2b8hA1 ILE 276 HG23 -0.01 -0.01 -0.34 -0.04 0.93 0.53 2b8hA1 ILE 276 HD13 -0.04 0.01 -0.20 -0.04 0.88 0.61 2b8hA1 GLU 277 H 0.07 0.33 0.24 -0.55 8.60 8.70 2b8hA1 GLU 277 HA 0.04 0.08 0.43 -0.75 4.29 4.09 2b8hA1 GLU 277 HB2 0.08 0.03 -0.10 -0.04 2.09 2.06 2b8hA1 GLU 277 HB3 0.09 0.02 0.01 -0.04 1.99 2.06 2b8hA1 GLU 277 HG2 0.20 -0.10 -0.77 -0.04 2.34 1.63 2b8hA1 GLU 277 HG3 0.25 -0.03 -0.18 -0.04 2.34 2.34 2b8hA1 GLU 278 H 0.01 0.17 -0.04 -0.55 8.60 8.19 2b8hA1 GLU 278 HA -0.02 0.15 0.33 -0.75 4.29 3.99 2b8hA1 GLU 278 HB2 -0.07 -0.02 -0.31 -0.04 2.09 1.65 2b8hA1 GLU 278 HB3 -0.13 0.09 0.19 -0.04 1.99 2.10 2b8hA1 GLU 278 HG2 0.05 0.13 0.02 -0.04 2.34 2.49 2b8hA1 GLU 278 HG3 0.04 -0.12 -0.03 -0.04 2.34 2.19 2b8hA1 CYS 279 H -0.04 -0.08 -0.14 -0.55 8.50 7.69 2b8hA1 CYS 279 HA -0.02 0.18 0.38 -0.75 4.58 4.37 2b8hA1 CYS 279 HB2 -0.05 -0.09 0.02 -0.04 2.97 2.81 2b8hA1 CYS 279 HB3 -0.04 -0.01 -0.16 -0.04 2.97 2.72 2b8hA1 SER 280 H 0.01 0.72 0.47 -0.55 8.46 9.11 2b8hA1 SER 280 HA 0.02 0.09 0.96 -0.75 4.49 4.81 2b8hA1 SER 280 HB2 0.10 0.01 0.55 -0.04 3.95 4.57 2b8hA1 SER 280 HB3 0.08 -0.36 0.30 -0.04 3.93 3.91 2b8hA1 CYS 281 H 0.04 0.33 0.26 -0.55 8.50 8.59 2b8hA1 CYS 281 HA -0.01 0.36 1.02 -0.75 4.58 5.19 2b8hA1 CYS 281 HB2 -0.00 0.09 0.01 -0.04 2.97 3.03 2b8hA1 CYS 281 HB3 -0.05 -0.03 -0.06 -0.04 2.97 2.79 2b8hA1 TYR 282 H -0.22 0.62 0.43 -0.55 8.29 8.56 2b8hA1 TYR 282 HA 0.16 0.08 0.36 -0.75 4.56 4.40 2b8hA1 TYR 282 HB2 0.21 -0.05 0.09 -0.04 3.06 3.27 2b8hA1 TYR 282 HB3 0.01 0.09 -0.01 -0.04 2.98 3.03 2b8hA1 TYR 282 HD2 -0.02 0.06 -0.18 -0.04 7.15 6.96 2b8hA1 TYR 282 HE2 0.03 0.06 -0.01 -0.04 6.85 6.89 2b8hA1 GLY 283 H 0.44 0.18 0.17 -0.55 8.43 8.67 2b8hA1 GLY 283 HA2 -0.03 0.38 1.20 -0.51 4.01 5.05 2b8hA1 GLY 283 HA3 -0.05 -0.03 0.29 -0.51 4.01 3.72 2b8hA1 GLU 284 H 0.10 0.76 0.38 -0.55 8.60 9.28 2b8hA1 GLU 284 HA 0.40 0.04 0.33 -0.75 4.29 4.30 2b8hA1 GLU 284 HB2 0.25 0.02 0.21 -0.04 2.09 2.53 2b8hA1 GLU 284 HB3 0.45 0.12 0.12 -0.04 1.99 2.63 2b8hA1 GLU 284 HG2 0.50 -0.01 -0.21 -0.04 2.34 2.58 2b8hA1 GLU 284 HG3 0.22 0.02 -0.05 -0.04 2.34 2.49 2b8hA1 GLN 285 H 0.16 0.62 0.10 -0.55 8.47 8.81 2b8hA1 GLN 285 HA 0.07 0.12 0.31 -0.75 4.36 4.10 2b8hA1 GLN 285 HB2 0.07 0.03 -0.08 -0.04 2.15 2.13 2b8hA1 GLN 285 HB3 0.05 -0.00 0.12 -0.04 2.02 2.14 2b8hA1 GLN 285 HG2 0.04 0.07 -0.16 -0.04 2.40 2.31 2b8hA1 GLN 285 HG3 0.08 -0.07 -0.06 -0.04 2.39 2.31 2b8hA1 GLN 285 HE21 0.05 -0.01 -0.00 -0.04 6.97 6.97 2b8hA1 GLN 285 HE22 0.08 -0.07 0.01 -0.04 7.69 7.67 2b8hA1 ALA 286 H 0.08 0.37 0.01 -0.55 8.40 8.31 2b8hA1 ALA 286 HA 0.03 -0.11 0.33 -0.75 4.34 3.83 2b8hA1 ALA 286 HB3 0.03 0.01 -0.02 -0.04 1.41 1.38 2b8hA1 GLY 287 H 0.04 0.34 -0.20 -0.55 8.43 8.07 2b8hA1 GLY 287 HA2 0.01 0.14 0.69 -0.51 4.01 4.34 2b8hA1 GLY 287 HA3 0.01 0.03 0.41 -0.51 4.01 3.95 2b8hA1 VAL 288 H -0.02 0.67 0.37 -0.55 8.24 8.70 2b8hA1 VAL 288 HA -0.14 0.28 1.14 -0.75 4.13 4.66 2b8hA1 VAL 288 HB -0.04 -0.05 0.09 -0.04 2.12 2.08 2b8hA1 VAL 288 HG13 -0.08 0.00 -0.22 -0.04 0.97 0.63 2b8hA1 VAL 288 HG23 -0.04 -0.00 -0.20 -0.04 0.95 0.66 2b8hA1 THR 289 H -0.49 0.61 0.38 -0.55 8.28 8.23 2b8hA1 THR 289 HA -0.14 0.26 1.06 -0.75 4.39 4.81 2b8hA1 THR 289 HB -0.91 -0.03 0.19 -0.04 4.32 3.53 2b8hA1 THR 289 HG23 -0.01 -0.01 -0.07 -0.04 1.22 1.10 2b8hA1 CYS 290 H -0.07 0.78 0.39 -0.55 8.50 9.04 2b8hA1 CYS 290 HA -0.04 0.35 0.89 -0.75 4.58 5.03 2b8hA1 CYS 290 HB2 -0.04 -0.11 0.07 -0.04 2.97 2.85 2b8hA1 CYS 290 HB3 -0.03 -0.03 -0.18 -0.04 2.97 2.69 2b8hA1 THR 291 H 0.02 0.80 0.43 -0.55 8.28 8.98 2b8hA1 THR 291 HA -0.01 0.22 0.99 -0.75 4.39 4.83 2b8hA1 THR 291 HB 0.04 -0.03 0.30 -0.04 4.32 4.59 2b8hA1 THR 291 HG23 -0.02 0.05 -0.18 -0.04 1.22 1.03 2b8hA1 CYS 292 H -0.01 0.58 0.21 -0.55 8.50 8.73 2b8hA1 CYS 292 HA -0.01 0.30 0.71 -0.75 4.58 4.83 2b8hA1 CYS 292 HB2 -0.01 -0.01 -0.04 -0.04 2.97 2.86 2b8hA1 CYS 292 HB3 0.00 0.05 0.02 -0.04 2.97 3.00 2b8hA1 ARG 293 H 0.03 0.30 0.24 -0.55 8.46 8.47 2b8hA1 ARG 293 HA 0.05 0.19 0.80 -0.75 4.34 4.62 2b8hA1 ARG 293 HB2 -0.01 0.12 -0.18 -0.04 1.90 1.78 2b8hA1 ARG 293 HB3 0.03 -0.02 -0.04 -0.04 1.80 1.73 2b8hA1 ARG 293 HG2 0.09 -0.08 -0.51 -0.04 1.67 1.13 2b8hA1 ARG 293 HG3 0.05 0.06 -0.21 -0.04 1.67 1.53 2b8hA1 ARG 293 HD2 -0.04 -0.08 -0.63 -0.04 3.22 2.43 2b8hA1 ARG 293 HD3 0.01 -0.06 -0.28 -0.04 3.22 2.85 2b8hA1 ASP 294 H 0.12 0.32 0.06 -0.55 8.40 8.36 2b8hA1 ASP 294 HA 0.30 0.08 0.60 -0.75 4.63 4.86 2b8hA1 ASP 294 HB2 0.26 0.06 0.13 -0.04 2.71 3.12 2b8hA1 ASP 294 HB3 0.22 0.14 0.27 -0.04 2.70 3.29 2b8hA1 ASN 295 H 0.27 0.13 -0.08 -0.55 8.53 8.31 2b8hA1 ASN 295 HA 0.08 0.33 0.18 -0.75 4.76 4.59 2b8hA1 ASN 295 HB2 0.14 -0.06 -0.12 -0.04 2.88 2.80 2b8hA1 ASN 295 HB3 -0.01 0.15 0.00 -0.04 2.79 2.89 2b8hA1 ASN 295 HD21 0.05 0.01 -0.26 -0.04 7.03 6.79 2b8hA1 ASN 295 HD22 0.03 0.19 -0.13 -0.04 7.74 7.79 2b8hA1 TRP 296 H -0.11 -0.09 -0.19 -0.55 7.97 7.03 2b8hA1 TRP 296 HA -0.15 0.05 0.57 -0.75 4.62 4.34 2b8hA1 TRP 296 HB2 -0.49 0.08 -0.10 -0.04 3.23 2.68 2b8hA1 TRP 296 HB3 -0.14 -0.11 -0.00 -0.04 3.23 2.93 2b8hA1 TRP 296 HD1 -0.05 -0.02 -0.08 -0.04 7.22 7.03 2b8hA1 TRP 296 HE1 -0.00 -0.00 -0.08 -0.04 10.20 10.08 2b8hA1 TRP 296 HE3 0.15 0.04 -0.27 -0.04 7.59 7.47 2b8hA1 TRP 296 HZ2 0.02 -0.01 -0.02 -0.04 7.44 7.39 2b8hA1 TRP 296 HZ3 0.11 0.09 -0.04 -0.04 7.13 7.25 2b8hA1 TRP 296 HH2 0.05 -0.01 -0.01 -0.04 7.19 7.19 2b8hA1 GLN 297 H -0.03 -0.06 -0.06 -0.55 8.47 7.77 2b8hA1 GLN 297 HA -0.16 0.30 0.98 -0.75 4.36 4.72 2b8hA1 GLN 297 HB2 -0.44 -0.05 -0.11 -0.04 2.15 1.50 2b8hA1 GLN 297 HB3 -0.38 0.00 -0.04 -0.04 2.02 1.56 2b8hA1 GLN 297 HG2 -0.92 0.06 -0.23 -0.04 2.40 1.28 2b8hA1 GLN 297 HG3 -2.09 -0.14 -0.28 -0.04 2.39 -0.16 2b8hA1 GLN 297 HE21 -0.93 0.02 -0.04 -0.04 6.97 5.97 2b8hA1 GLN 297 HE22 -1.06 -0.05 -0.08 -0.04 7.69 6.46 2b8hA1 GLY 298 H 0.03 0.09 0.04 -0.55 8.43 8.05 2b8hA1 GLY 298 HA2 -0.04 0.10 0.49 -0.51 4.01 4.05 2b8hA1 GLY 298 HA3 0.09 -0.05 0.38 -0.51 4.01 3.91 2b8hA1 SER 299 H 0.07 0.11 0.37 -0.55 8.46 8.46 2b8hA1 SER 299 HA 0.04 0.19 0.73 -0.75 4.49 4.70 2b8hA1 SER 299 HB2 0.08 0.03 0.07 -0.04 3.95 4.08 2b8hA1 SER 299 HB3 0.02 -0.02 0.12 -0.04 3.93 4.01 2b8hA1 ASN 300 H 0.07 -0.11 0.29 -0.55 8.53 8.23 2b8hA1 ASN 300 HA 0.03 0.10 0.80 -0.75 4.76 4.93 2b8hA1 ASN 300 HB2 0.10 0.19 0.16 -0.04 2.88 3.29 2b8hA1 ASN 300 HB3 0.02 0.09 0.20 -0.04 2.79 3.06 2b8hA1 ASN 300 HD21 -0.36 0.25 0.06 -0.04 7.03 6.94 2b8hA1 ASN 300 HD22 0.02 0.44 0.09 -0.04 7.74 8.25 2b8hA1 ARG 301 H 0.08 0.16 0.16 -0.55 8.46 8.31 2b8hA1 ARG 301 HA 0.11 0.21 0.76 -0.75 4.34 4.67 2b8hA1 ARG 301 HB2 0.02 -0.12 0.08 -0.04 1.90 1.84 2b8hA1 ARG 301 HB3 0.01 0.16 0.01 -0.04 1.80 1.95 2b8hA1 ARG 301 HG2 0.03 0.07 -0.09 -0.04 1.67 1.65 2b8hA1 ARG 301 HG3 0.01 -0.14 -0.16 -0.04 1.67 1.34 2b8hA1 ARG 301 HD2 -0.04 -0.09 -0.10 -0.04 3.22 2.94 2b8hA1 ARG 301 HD3 -0.01 0.12 -0.13 -0.04 3.22 3.15 2b8hA1 PRO 302 HA -0.48 0.23 0.81 -0.51 4.44 4.49 2b8hA1 PRO 302 HB2 -0.17 -0.02 -0.08 -0.04 2.28 1.96 2b8hA1 PRO 302 HB3 -0.57 -0.04 0.08 -0.04 2.02 1.45 2b8hA1 PRO 302 HG2 -0.02 -0.09 -0.18 -0.04 2.03 1.70 2b8hA1 PRO 302 HG3 -0.01 0.16 0.01 -0.04 2.03 2.15 2b8hA1 PRO 302 HD2 0.04 0.22 -0.15 -0.04 3.68 3.75 2b8hA1 PRO 302 HD3 0.14 0.21 0.18 -0.04 3.65 4.14 2b8hA1 VAL 303 H -0.16 0.73 0.34 -0.55 8.24 8.60 2b8hA1 VAL 303 HA -0.03 0.36 1.02 -0.75 4.13 4.72 2b8hA1 VAL 303 HB -0.01 -0.08 -0.07 -0.04 2.12 1.91 2b8hA1 VAL 303 HG13 0.00 -0.01 -0.19 -0.04 0.97 0.74 2b8hA1 VAL 303 HG23 0.01 0.01 -0.25 -0.04 0.95 0.67 2b8hA1 ILE 304 H -0.03 0.57 0.31 -0.55 8.25 8.55 2b8hA1 ILE 304 HA 0.03 0.29 1.12 -0.75 4.18 4.87 2b8hA1 ILE 304 HB -0.03 -0.07 0.07 -0.04 1.89 1.82 2b8hA1 ILE 304 HG12 0.03 0.07 -0.08 -0.04 1.49 1.47 2b8hA1 ILE 304 HG13 -0.03 -0.08 -0.34 -0.04 1.21 0.73 2b8hA1 ILE 304 HG23 0.02 0.01 -0.18 -0.04 0.93 0.74 2b8hA1 ILE 304 HD13 -0.05 -0.01 -0.18 -0.04 0.88 0.60 2b8hA1 GLN 305 H 0.06 0.64 0.32 -0.55 8.47 8.95 2b8hA1 GLN 305 HA -0.02 0.29 1.12 -0.75 4.36 4.99 2b8hA1 GLN 305 HB2 0.02 -0.05 0.09 -0.04 2.15 2.17 2b8hA1 GLN 305 HB3 0.01 0.01 -0.02 -0.04 2.02 1.99 2b8hA1 GLN 305 HG2 -0.02 0.04 -0.01 -0.04 2.40 2.37 2b8hA1 GLN 305 HG3 -0.00 -0.02 -0.39 -0.04 2.39 1.93 2b8hA1 GLN 305 HE21 0.03 -0.04 -0.08 -0.04 6.97 6.85 2b8hA1 GLN 305 HE22 0.03 0.03 -0.06 -0.04 7.69 7.64 2b8hA1 ILE 306 H 0.00 0.75 0.39 -0.55 8.25 8.83 2b8hA1 ILE 306 HA 0.12 0.25 1.09 -0.75 4.18 4.89 2b8hA1 ILE 306 HB 0.02 -0.03 0.11 -0.04 1.89 1.95 2b8hA1 ILE 306 HG12 0.06 0.03 -0.24 -0.04 1.49 1.30 2b8hA1 ILE 306 HG13 0.02 -0.07 -0.44 -0.04 1.21 0.68 2b8hA1 ILE 306 HG23 0.18 -0.00 -0.31 -0.04 0.93 0.76 2b8hA1 ILE 306 HD13 -0.08 -0.01 -0.21 -0.04 0.88 0.54 2b8hA1 ASP 307 H 0.09 0.70 0.29 -0.55 8.40 8.92 2b8hA1 ASP 307 HA 0.03 0.30 0.97 -0.75 4.63 5.16 2b8hA1 ASP 307 HB2 0.01 0.08 0.09 -0.04 2.71 2.85 2b8hA1 ASP 307 HB3 0.01 -0.08 0.24 -0.04 2.70 2.83 2b8hA1 PRO 308 HA 0.11 0.11 0.47 -0.51 4.44 4.62 2b8hA1 PRO 308 HB2 0.03 0.12 0.04 -0.04 2.28 2.43 2b8hA1 PRO 308 HB3 0.07 0.04 -0.02 -0.04 2.02 2.08 2b8hA1 PRO 308 HG2 0.01 0.02 -0.09 -0.04 2.03 1.93 2b8hA1 PRO 308 HG3 0.01 -0.00 -0.16 -0.04 2.03 1.84 2b8hA1 PRO 308 HD2 0.02 0.38 0.22 -0.04 3.68 4.26 2b8hA1 PRO 308 HD3 0.03 0.21 0.03 -0.04 3.65 3.88 2b8hA1 VAL 309 H -0.01 0.04 -0.28 -0.55 8.24 7.44 2b8hA1 VAL 309 HA -0.04 0.21 0.70 -0.75 4.13 4.25 2b8hA1 VAL 309 HB -0.02 -0.05 0.10 -0.04 2.12 2.12 2b8hA1 VAL 309 HG13 -0.02 0.01 -0.07 -0.04 0.97 0.85 2b8hA1 VAL 309 HG23 -0.00 0.01 -0.04 -0.04 0.95 0.88 2b8hA1 ALA 310 H -0.05 0.00 -0.03 -0.55 8.40 7.78 2b8hA1 ALA 310 HA -0.08 0.13 0.39 -0.75 4.34 4.02 2b8hA1 ALA 310 HB3 -0.05 -0.01 0.04 -0.04 1.41 1.35 2b8hA1 MET 311 H -0.13 0.06 -0.45 -0.55 8.47 7.39 2b8hA1 MET 311 HA -0.55 0.02 0.23 -0.75 4.52 3.46 2b8hA1 MET 311 HB2 -0.47 0.15 0.11 -0.04 2.15 1.90 2b8hA1 MET 311 HB3 -1.51 -0.07 0.03 -0.04 2.03 0.44 2b8hA1 MET 311 HG2 -0.37 0.01 -0.14 -0.04 2.63 2.08 2b8hA1 MET 311 HG3 -0.25 0.13 -0.49 -0.04 2.56 1.90 2b8hA1 MET 311 HE3 -0.18 0.01 -0.11 -0.04 2.10 1.79 2b8hA1 THR 312 H -0.02 0.30 0.14 -0.55 8.28 8.15 2b8hA1 THR 312 HA 0.06 0.22 0.74 -0.75 4.39 4.66 2b8hA1 THR 312 HB -0.04 0.02 0.05 -0.04 4.32 4.31 2b8hA1 THR 312 HG23 -0.08 0.03 -0.32 -0.04 1.22 0.82 2b8hA1 HIS 313 H -0.03 0.30 0.21 -0.55 8.41 8.34 2b8hA1 HIS 313 HA 0.03 0.23 1.01 -0.75 4.63 5.15 2b8hA1 HIS 313 HB2 0.03 0.08 0.01 -0.04 3.26 3.35 2b8hA1 HIS 313 HB3 0.09 -0.05 -0.32 -0.04 3.20 2.88 2b8hA1 HIS 313 HD2 0.01 0.10 -0.34 -0.04 6.97 6.69 2b8hA1 HIS 313 HE1 0.03 0.41 -0.09 -0.04 7.75 8.06 2b8hA1 THR 314 H 0.08 0.62 0.43 -0.55 8.28 8.86 2b8hA1 THR 314 HA -0.16 0.11 0.50 -0.75 4.39 4.09 2b8hA1 THR 314 HB -0.05 0.03 -0.02 -0.04 4.32 4.24 2b8hA1 THR 314 HG23 0.01 0.01 -0.06 -0.04 1.22 1.13 2b8hA1 SER 315 H 0.01 0.14 0.28 -0.55 8.46 8.34 2b8hA1 SER 315 HA 0.02 0.26 0.83 -0.75 4.49 4.85 2b8hA1 SER 315 HB2 -0.02 0.07 0.18 -0.04 3.95 4.15 2b8hA1 SER 315 HB3 0.11 0.00 -0.05 -0.04 3.93 3.95 2b8hA1 GLN 316 H -0.05 0.63 0.41 -0.55 8.47 8.92 2b8hA1 GLN 316 HA 0.03 -0.03 0.42 -0.75 4.36 4.03 2b8hA1 GLN 316 HB2 0.08 0.19 0.33 -0.04 2.15 2.71 2b8hA1 GLN 316 HB3 0.04 -0.01 0.05 -0.04 2.02 2.06 2b8hA1 GLN 316 HG2 0.02 -0.13 -0.12 -0.04 2.40 2.13 2b8hA1 GLN 316 HG3 0.04 0.14 -0.07 -0.04 2.39 2.46 2b8hA1 GLN 316 HE21 0.05 -0.12 0.10 -0.04 6.97 6.95 2b8hA1 GLN 316 HE22 0.07 0.67 0.29 -0.04 7.69 8.67 2b8hA1 TYR 317 H 0.21 0.80 0.30 -0.55 8.29 9.05 2b8hA1 TYR 317 HA 0.03 0.12 0.87 -0.75 4.56 4.83 2b8hA1 TYR 317 HB2 0.02 -0.01 -0.29 -0.04 3.06 2.74 2b8hA1 TYR 317 HB3 0.02 0.12 -0.12 -0.04 2.98 2.96 2b8hA1 TYR 317 HD2 0.03 0.01 -0.60 -0.04 7.15 6.55 2b8hA1 TYR 317 HE2 0.03 0.19 -0.17 -0.04 6.85 6.86 2b8hA1 ILE 318 H 0.13 0.54 0.19 -0.55 8.25 8.56 2b8hA1 ILE 318 HA 0.05 -0.00 0.74 -0.75 4.18 4.22 2b8hA1 ILE 318 HB 0.05 -0.07 0.21 -0.04 1.89 2.04 2b8hA1 ILE 318 HG12 0.03 -0.11 -0.05 -0.04 1.49 1.32 2b8hA1 ILE 318 HG13 0.03 0.15 0.01 -0.04 1.21 1.37 2b8hA1 ILE 318 HG23 0.01 -0.03 -0.23 -0.04 0.93 0.64 2b8hA1 ILE 318 HD13 -0.01 -0.02 -0.04 -0.04 0.88 0.77 2b8hA1 CYS 319 H 0.04 0.37 0.15 -0.55 8.50 8.52 2b8hA1 CYS 319 HA 0.05 0.12 -0.17 -0.75 4.58 3.83 2b8hA1 CYS 319 HB2 0.02 -0.03 -0.66 -0.04 2.97 2.26 2b8hA1 CYS 319 HB3 0.02 -0.17 -0.47 -0.04 2.97 2.31 2b8hA1 SER 320 H 0.00 0.19 -0.28 -0.55 8.46 7.83 2b8hA1 SER 320 HA -0.03 0.12 0.36 -0.75 4.49 4.19 2b8hA1 SER 320 HB2 -0.03 -0.07 0.12 -0.04 3.95 3.93 2b8hA1 SER 320 HB3 -0.03 -0.01 0.01 -0.04 3.93 3.85 2b8hA1 PRO 321 HA -0.19 0.06 0.42 -0.51 4.44 4.22 2b8hA1 PRO 321 HB2 -0.10 0.23 -0.34 -0.04 2.28 2.03 2b8hA1 PRO 321 HB3 -0.08 -0.15 -0.64 -0.04 2.02 1.11 2b8hA1 PRO 321 HG2 -0.06 0.08 -0.25 -0.04 2.03 1.77 2b8hA1 PRO 321 HG3 -0.04 0.22 -0.23 -0.04 2.03 1.94 2b8hA1 PRO 321 HD2 -0.04 0.28 0.03 -0.04 3.68 3.90 2b8hA1 PRO 321 HD3 -0.03 0.11 -0.30 -0.04 3.65 3.38 2b8hA1 VAL 322 H -0.08 0.10 -0.38 -0.55 8.24 7.34 2b8hA1 VAL 322 HA -0.09 0.08 0.63 -0.75 4.13 3.99 2b8hA1 VAL 322 HB -0.07 -0.07 0.03 -0.04 2.12 1.96 2b8hA1 VAL 322 HG13 -0.08 -0.00 -0.15 -0.04 0.97 0.69 2b8hA1 VAL 322 HG23 -0.07 0.04 -0.01 -0.04 0.95 0.86 2b8hA1 LEU 323 H -0.12 0.24 -0.06 -0.55 8.37 7.87 2b8hA1 LEU 323 HA -0.09 0.02 0.61 -0.75 4.35 4.15 2b8hA1 LEU 323 HB2 -0.11 0.07 -0.04 -0.04 1.64 1.52 2b8hA1 LEU 323 HB3 -0.09 0.08 -0.13 -0.04 1.64 1.47 2b8hA1 LEU 323 HG -0.26 0.16 -0.11 -0.04 1.64 1.39 2b8hA1 LEU 323 HD13 -0.37 0.02 -0.17 -0.04 0.93 0.37 2b8hA1 LEU 323 HD23 -0.30 -0.03 -0.12 -0.04 0.89 0.40 2b8hA1 THR 324 H -0.04 0.08 0.29 -0.55 8.28 8.06 2b8hA1 THR 324 HA -0.08 0.24 0.82 -0.75 4.39 4.61 2b8hA1 THR 324 HB -0.12 0.22 0.24 -0.04 4.32 4.63 2b8hA1 THR 324 HG23 -0.11 0.01 -0.28 -0.04 1.22 0.80 2b8hA1 ASP 325 H -0.01 0.37 0.14 -0.55 8.40 8.34 2b8hA1 ASP 325 HA 0.02 0.11 0.63 -0.75 4.63 4.63 2b8hA1 ASP 325 HB2 0.04 -0.07 -0.04 -0.04 2.71 2.59 2b8hA1 ASP 325 HB3 0.03 0.13 0.12 -0.04 2.70 2.95 2b8hA1 ASN 326 H 0.04 0.14 0.06 -0.55 8.53 8.23 2b8hA1 ASN 326 HA 0.03 0.03 0.00 -0.75 4.76 4.07 2b8hA1 ASN 326 HB2 0.04 0.19 -0.21 -0.04 2.88 2.86 2b8hA1 ASN 326 HB3 0.08 -0.11 -0.17 -0.04 2.79 2.54 2b8hA1 ASN 326 HD21 0.06 -0.34 -0.58 -0.04 7.03 6.14 2b8hA1 ASN 326 HD22 0.03 0.29 -0.08 -0.04 7.74 7.94 2b8hA1 PRO 327 HA 0.04 0.16 0.12 -0.51 4.44 4.25 2b8hA1 PRO 327 HB2 0.03 0.00 -0.03 -0.04 2.28 2.24 2b8hA1 PRO 327 HB3 0.04 0.04 0.17 -0.04 2.02 2.23 2b8hA1 PRO 327 HG2 0.04 0.01 0.01 -0.04 2.03 2.04 2b8hA1 PRO 327 HG3 0.04 0.03 0.07 -0.04 2.03 2.13 2b8hA1 PRO 327 HD2 0.05 0.04 0.27 -0.04 3.68 4.00 2b8hA1 PRO 327 HD3 0.05 0.04 0.03 -0.04 3.65 3.73 2b8hA1 ARG 328 H 0.02 0.64 0.25 -0.55 8.46 8.82 2b8hA1 ARG 328 HA 0.02 0.10 0.43 -0.75 4.34 4.14 2b8hA1 ARG 328 HB2 -0.01 0.03 -0.04 -0.04 1.90 1.84 2b8hA1 ARG 328 HB3 0.00 0.02 -0.35 -0.04 1.80 1.43 2b8hA1 ARG 328 HG2 -0.00 -0.08 -0.12 -0.04 1.67 1.43 2b8hA1 ARG 328 HG3 -0.02 -0.04 -0.23 -0.04 1.67 1.34 2b8hA1 ARG 328 HD2 -0.05 -0.09 -0.24 -0.04 3.22 2.79 2b8hA1 ARG 328 HD3 -0.03 0.21 -0.28 -0.04 3.22 3.08 2b8hA1 PRO 329 HA 0.02 0.01 0.62 -0.51 4.44 4.58 2b8hA1 PRO 329 HB2 0.05 0.19 -0.08 -0.04 2.28 2.41 2b8hA1 PRO 329 HB3 0.07 -0.06 0.11 -0.04 2.02 2.10 2b8hA1 PRO 329 HG2 0.23 0.17 -0.04 -0.04 2.03 2.35 2b8hA1 PRO 329 HG3 0.08 -0.10 -0.06 -0.04 2.03 1.92 2b8hA1 PRO 329 HD2 0.03 0.09 0.05 -0.04 3.68 3.80 2b8hA1 PRO 329 HD3 0.05 0.10 0.01 -0.04 3.65 3.77 2b8hA1 ASN 330 H 0.00 0.01 0.12 -0.55 8.53 8.11 2b8hA1 ASN 330 HA -0.04 0.07 0.51 -0.75 4.76 4.54 2b8hA1 ASN 330 HB2 -0.01 -0.04 0.08 -0.04 2.88 2.87 2b8hA1 ASN 330 HB3 -0.02 0.07 0.04 -0.04 2.79 2.84 2b8hA1 ASN 330 HD21 -0.00 -0.03 0.03 -0.04 7.03 6.98 2b8hA1 ASN 330 HD22 -0.00 -0.01 0.04 -0.04 7.74 7.74 2b8hA1 ASP 331 H -0.06 0.03 0.16 -0.55 8.40 7.98 2b8hA1 ASP 331 HA -0.16 0.17 0.53 -0.75 4.63 4.41 2b8hA1 ASP 331 HB2 -0.06 -0.16 0.18 -0.04 2.71 2.63 2b8hA1 ASP 331 HB3 -0.09 0.18 0.02 -0.04 2.70 2.76 2b8hA1 PRO 332 HA -0.03 0.06 0.60 -0.51 4.44 4.56 2b8hA1 PRO 332 HB2 0.02 -0.20 0.22 -0.04 2.28 2.28 2b8hA1 PRO 332 HB3 0.05 0.02 0.14 -0.04 2.02 2.18 2b8hA1 PRO 332 HG2 -0.21 -0.03 -0.26 -0.04 2.03 1.49 2b8hA1 PRO 332 HG3 -0.70 0.04 0.05 -0.04 2.03 1.37 2b8hA1 PRO 332 HD2 -0.33 0.28 0.26 -0.04 3.68 3.85 2b8hA1 PRO 332 HD3 -0.43 0.22 0.20 -0.04 3.65 3.60 2b8hA1 THR 333 H -0.00 0.04 0.19 -0.55 8.28 7.95 2b8hA1 THR 333 HA -0.03 0.17 0.68 -0.75 4.39 4.46 2b8hA1 THR 333 HB -0.00 -0.04 0.13 -0.04 4.32 4.37 2b8hA1 THR 333 HG23 -0.01 -0.01 -0.03 -0.04 1.22 1.14 2b8hA1 VAL 334 H 0.01 0.05 0.14 -0.55 8.24 7.89 2b8hA1 VAL 334 HA -0.00 0.44 1.03 -0.75 4.13 4.85 2b8hA1 VAL 334 HB 0.03 -0.08 0.13 -0.04 2.12 2.16 2b8hA1 VAL 334 HG13 0.02 0.05 -0.03 -0.04 0.97 0.97 2b8hA1 VAL 334 HG23 0.01 -0.04 -0.12 -0.04 0.95 0.75 2b8hA1 GLY 335 H 0.00 0.54 0.26 -0.55 8.43 8.68 2b8hA1 GLY 335 HA2 0.02 0.06 0.57 -0.51 4.01 4.15 2b8hA1 GLY 335 HA3 -0.01 0.33 0.11 -0.51 4.01 3.93 2b8hA1 LYS 336 H 0.09 0.31 0.11 -0.55 8.42 8.37 2b8hA1 LYS 336 HA 0.03 0.06 0.76 -0.75 4.32 4.41 2b8hA1 LYS 336 HB2 -0.01 0.06 -0.01 -0.04 1.87 1.87 2b8hA1 LYS 336 HB3 -0.08 -0.16 -0.02 -0.04 1.79 1.49 2b8hA1 LYS 336 HG2 0.00 0.10 -0.12 -0.04 1.46 1.41 2b8hA1 LYS 336 HG3 0.15 0.01 -0.29 -0.04 1.46 1.29 2b8hA1 LYS 336 HD2 -0.22 0.12 -0.23 -0.04 1.69 1.32 2b8hA1 LYS 336 HD3 -0.13 -0.08 -0.09 -0.04 1.68 1.34 2b8hA1 LYS 336 HE2 -0.56 0.03 0.03 -0.04 2.99 2.45 2b8hA1 LYS 336 HE3 -0.23 -0.04 -0.02 -0.04 2.99 2.66 2b8hA1 CYS 337 H 0.02 0.09 0.13 -0.55 8.50 8.19 2b8hA1 CYS 337 HA 0.09 0.28 0.41 -0.75 4.58 4.61 2b8hA1 CYS 337 HB2 0.04 -0.04 0.07 -0.04 2.97 3.00 2b8hA1 CYS 337 HB3 0.06 0.02 0.04 -0.04 2.97 3.05 2b8hA1 ASN 338 H 0.02 0.03 0.04 -0.55 8.53 8.07 2b8hA1 ASN 338 HA 0.20 0.11 0.71 -0.75 4.76 5.02 2b8hA1 ASN 338 HB2 0.03 -0.01 0.04 -0.04 2.88 2.90 2b8hA1 ASN 338 HB3 0.06 0.04 0.14 -0.04 2.79 2.99 2b8hA1 ASN 338 HD21 0.03 0.03 -0.06 -0.04 7.03 7.00 2b8hA1 ASN 338 HD22 0.03 -0.00 -0.03 -0.04 7.74 7.69 2b8hA1 ASP 339 H -0.14 0.14 -0.13 -0.55 8.40 7.72 2b8hA1 ASP 339 HA -0.16 0.20 0.46 -0.75 4.63 4.37 2b8hA1 ASP 339 HB2 -0.13 -0.15 -0.16 -0.04 2.71 2.24 2b8hA1 ASP 339 HB3 -0.21 0.17 -0.07 -0.04 2.70 2.55 2b8hA1 PRO 340 HA -0.73 0.04 0.50 -0.51 4.44 3.74 2b8hA1 PRO 340 HB2 -0.23 0.26 -0.48 -0.04 2.28 1.80 2b8hA1 PRO 340 HB3 -0.15 -0.05 -0.06 -0.04 2.02 1.72 2b8hA1 PRO 340 HG2 -0.33 0.07 -0.03 -0.04 2.03 1.70 2b8hA1 PRO 340 HG3 -0.26 -0.04 -0.03 -0.04 2.03 1.66 2b8hA1 PRO 340 HD2 -0.24 0.12 0.16 -0.04 3.68 3.68 2b8hA1 PRO 340 HD3 -0.16 0.10 0.10 -0.04 3.65 3.65 2b8hA1 TYR 341 H -0.09 0.01 0.25 -0.55 8.29 7.91 2b8hA1 TYR 341 HA -0.14 0.14 0.64 -0.75 4.56 4.45 2b8hA1 TYR 341 HB2 -0.10 0.01 0.20 -0.04 3.06 3.13 2b8hA1 TYR 341 HB3 -0.08 -0.17 0.20 -0.04 2.98 2.89 2b8hA1 TYR 341 HD2 -0.07 -0.04 -0.11 -0.04 7.15 6.89 2b8hA1 TYR 341 HE2 -0.04 0.08 0.06 -0.04 6.85 6.90 2b8hA1 PRO 342 HA -0.13 0.27 0.42 -0.51 4.44 4.49 2b8hA1 PRO 342 HB2 -0.16 -0.04 0.02 -0.04 2.28 2.06 2b8hA1 PRO 342 HB3 -0.21 0.03 0.05 -0.04 2.02 1.85 2b8hA1 PRO 342 HG2 -0.35 0.01 0.01 -0.04 2.03 1.65 2b8hA1 PRO 342 HG3 -0.29 -0.00 0.05 -0.04 2.03 1.75 2b8hA1 PRO 342 HD2 -1.27 0.06 0.21 -0.04 3.68 2.63 2b8hA1 PRO 342 HD3 -0.47 0.25 0.29 -0.04 3.65 3.68 2b8hA1 GLY 343 H -0.06 0.12 0.07 -0.55 8.43 8.02 2b8hA1 GLY 343 HA2 -0.01 -0.05 0.35 -0.51 4.01 3.79 2b8hA1 GLY 343 HA3 0.04 0.20 0.71 -0.51 4.01 4.45 2b8hA1 ASN 344 H 0.00 0.34 -0.03 -0.55 8.53 8.30 2b8hA1 ASN 344 HA 0.01 0.08 0.75 -0.75 4.76 4.84 2b8hA1 ASN 344 HB2 0.03 0.04 -0.20 -0.04 2.88 2.70 2b8hA1 ASN 344 HB3 0.03 0.10 -0.28 -0.04 2.79 2.59 2b8hA1 ASN 344 HD21 0.02 -0.06 -0.13 -0.04 7.03 6.82 2b8hA1 ASN 344 HD22 0.03 0.04 -0.10 -0.04 7.74 7.66 2b8hA1 ASN 345 H 0.02 0.16 0.11 -0.55 8.53 8.28 2b8hA1 ASN 345 HA 0.03 0.42 0.96 -0.75 4.76 5.41 2b8hA1 ASN 345 HB2 0.04 -0.09 0.04 -0.04 2.88 2.83 2b8hA1 ASN 345 HB3 0.09 0.01 0.07 -0.04 2.79 2.93 2b8hA1 ASN 345 HD21 -0.04 -0.07 -0.07 -0.04 7.03 6.82 2b8hA1 ASN 345 HD22 0.09 -0.01 -0.02 -0.04 7.74 7.76 2b8hA1 ASN 346 H 0.12 0.53 0.40 -0.55 8.53 9.03 2b8hA1 ASN 346 HA 0.07 0.09 0.38 -0.75 4.76 4.55 2b8hA1 ASN 346 HB2 0.05 0.08 -0.19 -0.04 2.88 2.78 2b8hA1 ASN 346 HB3 0.04 -0.08 0.16 -0.04 2.79 2.87 2b8hA1 ASN 346 HD21 0.07 -0.01 0.01 -0.04 7.03 7.05 2b8hA1 ASN 346 HD22 0.04 -0.02 -0.02 -0.04 7.74 7.71 2b8hA1 ASN 347 H 0.06 0.50 -0.01 -0.55 8.53 8.54 2b8hA1 ASN 347 HA 0.05 -0.01 0.58 -0.75 4.76 4.63 2b8hA1 ASN 347 HB2 0.04 0.09 -0.39 -0.04 2.88 2.57 2b8hA1 ASN 347 HB3 0.05 0.04 -0.16 -0.04 2.79 2.68 2b8hA1 ASN 347 HD21 0.03 -0.08 0.07 -0.04 7.03 7.01 2b8hA1 ASN 347 HD22 0.03 -0.00 0.02 -0.04 7.74 7.75 2b8hA1 GLY 348 H 0.07 0.24 0.29 -0.55 8.43 8.47 2b8hA1 GLY 348 HA2 0.06 0.17 0.42 -0.51 4.01 4.15 2b8hA1 GLY 348 HA3 0.06 0.04 0.38 -0.51 4.01 3.98 2b8hA1 VAL 349 H 0.04 0.28 0.19 -0.55 8.24 8.20 2b8hA1 VAL 349 HA 0.10 0.04 0.68 -0.75 4.13 4.19 2b8hA1 VAL 349 HB 0.13 0.09 -0.24 -0.04 2.12 2.05 2b8hA1 VAL 349 HG13 0.08 -0.00 -0.16 -0.04 0.97 0.85 2b8hA1 VAL 349 HG23 0.26 0.02 -0.05 -0.04 0.95 1.14 2b8hA1 LYS 350 H -0.65 0.05 0.15 -0.55 8.42 7.41 2b8hA1 LYS 350 HA -0.19 0.09 0.67 -0.75 4.32 4.14 2b8hA1 LYS 350 HB2 -0.88 -0.05 0.21 -0.04 1.87 1.10 2b8hA1 LYS 350 HB3 -1.06 -0.20 0.26 -0.04 1.79 0.76 2b8hA1 LYS 350 HG2 -0.09 0.22 0.05 -0.04 1.46 1.60 2b8hA1 LYS 350 HG3 -0.13 0.33 0.24 -0.04 1.46 1.85 2b8hA1 LYS 350 HD2 -0.05 0.01 0.10 -0.04 1.69 1.70 2b8hA1 LYS 350 HD3 0.10 -0.16 0.03 -0.04 1.68 1.60 2b8hA1 LYS 350 HE2 0.12 0.06 -0.39 -0.04 2.99 2.74 2b8hA1 LYS 350 HE3 0.10 -0.05 -0.04 -0.04 2.99 2.96 2b8hA1 GLY 351 H -0.03 0.24 0.25 -0.55 8.43 8.34 2b8hA1 GLY 351 HA2 0.12 0.03 0.58 -0.51 4.01 4.23 2b8hA1 GLY 351 HA3 0.04 0.08 0.39 -0.51 4.01 4.01 2b8hA1 PHE 352 H -0.14 0.30 0.21 -0.55 8.34 8.17 2b8hA1 PHE 352 HA -0.05 0.17 0.79 -0.75 4.62 4.77 2b8hA1 PHE 352 HB2 -0.11 0.00 0.09 -0.04 3.15 3.10 2b8hA1 PHE 352 HB3 -0.09 0.06 -0.37 -0.04 3.06 2.62 2b8hA1 PHE 352 HD2 -0.18 0.02 -0.28 -0.04 7.28 6.79 2b8hA1 PHE 352 HE2 -0.19 -0.01 -0.19 -0.04 7.38 6.95 2b8hA1 PHE 352 HZ -1.76 -0.03 -0.21 -0.04 7.32 5.28 2b8hA1 SER 353 H 0.01 0.34 0.26 -0.55 8.46 8.53 2b8hA1 SER 353 HA -0.41 0.10 0.44 -0.75 4.49 3.86 2b8hA1 SER 353 HB2 -0.02 0.08 0.09 -0.04 3.95 4.06 2b8hA1 SER 353 HB3 -0.14 0.11 0.02 -0.04 3.93 3.88 2b8hA1 TYR 354 H 0.22 0.79 0.28 -0.55 8.29 9.03 2b8hA1 TYR 354 HA -0.05 0.13 0.81 -0.75 4.56 4.70 2b8hA1 TYR 354 HB2 0.20 0.01 0.17 -0.04 3.06 3.40 2b8hA1 TYR 354 HB3 0.01 0.02 0.04 -0.04 2.98 3.01 2b8hA1 TYR 354 HD2 -0.30 -0.02 -0.13 -0.04 7.15 6.66 2b8hA1 TYR 354 HE2 -0.24 0.04 -0.09 -0.04 6.85 6.53 2b8hA1 LEU 355 H 0.38 0.27 -0.05 -0.55 8.37 8.43 2b8hA1 LEU 355 HA 0.15 0.06 0.71 -0.75 4.35 4.51 2b8hA1 LEU 355 HB2 0.17 0.06 0.13 -0.04 1.64 1.96 2b8hA1 LEU 355 HB3 0.11 -0.08 0.03 -0.04 1.64 1.65 2b8hA1 LEU 355 HG 0.14 -0.03 -0.39 -0.04 1.64 1.31 2b8hA1 LEU 355 HD13 0.07 0.03 -0.11 -0.04 0.93 0.87 2b8hA1 LEU 355 HD23 0.06 0.01 -0.15 -0.04 0.89 0.77 2b8hA1 ASP 356 H 0.15 0.22 -0.21 -0.55 8.40 8.01 2b8hA1 ASP 356 HA 0.14 0.19 0.66 -0.75 4.63 4.87 2b8hA1 ASP 356 HB2 0.20 0.02 -0.27 -0.04 2.71 2.62 2b8hA1 ASP 356 HB3 0.15 0.17 -0.09 -0.04 2.70 2.89 2b8hA1 GLY 357 H 0.08 0.14 -0.06 -0.55 8.43 8.04 2b8hA1 GLY 357 HA2 0.05 0.07 0.35 -0.51 4.01 3.96 2b8hA1 GLY 357 HA3 0.05 0.08 0.34 -0.51 4.01 3.98 2b8hA1 GLY 358 H 0.04 0.20 0.25 -0.55 8.43 8.37 2b8hA1 GLY 358 HA2 0.01 0.02 0.57 -0.51 4.01 4.10 2b8hA1 GLY 358 HA3 0.02 0.09 0.38 -0.51 4.01 3.99 2b8hA1 ASN 359 H 0.07 0.46 -0.13 -0.55 8.53 8.39 2b8hA1 ASN 359 HA 0.14 0.17 0.59 -0.75 4.76 4.90 2b8hA1 ASN 359 HB2 0.07 -0.06 0.07 -0.04 2.88 2.92 2b8hA1 ASN 359 HB3 0.10 0.11 0.15 -0.04 2.79 3.11 2b8hA1 ASN 359 HD21 -0.03 0.41 0.03 -0.04 7.03 7.40 2b8hA1 ASN 359 HD22 0.05 -0.05 -0.02 -0.04 7.74 7.68 2b8hA1 THR 360 H 0.05 0.25 -0.67 -0.55 8.28 7.36 2b8hA1 THR 360 HA 0.23 0.24 0.65 -0.75 4.39 4.76 2b8hA1 THR 360 HB 0.02 0.11 0.10 -0.04 4.32 4.52 2b8hA1 THR 360 HG23 0.06 -0.02 -0.04 -0.04 1.22 1.18 2b8hA1 TRP 361 H 0.42 0.50 0.37 -0.55 7.97 8.71 2b8hA1 TRP 361 HA 0.08 0.24 0.95 -0.75 4.62 5.14 2b8hA1 TRP 361 HB2 0.40 -0.07 0.00 -0.04 3.23 3.52 2b8hA1 TRP 361 HB3 0.26 0.03 -0.16 -0.04 3.23 3.32 2b8hA1 TRP 361 HD1 0.08 0.03 -0.52 -0.04 7.22 6.77 2b8hA1 TRP 361 HE1 -0.04 0.21 -0.07 -0.04 10.20 10.26 2b8hA1 TRP 361 HE3 0.31 -0.01 -0.53 -0.04 7.59 7.32 2b8hA1 TRP 361 HZ2 -0.01 0.12 -0.24 -0.04 7.44 7.27 2b8hA1 TRP 361 HZ3 0.32 0.00 -0.44 -0.04 7.13 6.97 2b8hA1 TRP 361 HH2 0.16 0.07 -0.29 -0.04 7.19 7.09 2b8hA1 LEU 362 H 0.09 0.73 0.33 -0.55 8.37 8.97 2b8hA1 LEU 362 HA -0.15 0.10 1.04 -0.75 4.35 4.58 2b8hA1 LEU 362 HB2 -0.09 0.01 0.04 -0.04 1.64 1.56 2b8hA1 LEU 362 HB3 -0.13 0.15 0.06 -0.04 1.64 1.68 2b8hA1 LEU 362 HG -0.03 -0.07 -0.14 -0.04 1.64 1.35 2b8hA1 LEU 362 HD13 -0.06 0.02 -0.08 -0.04 0.93 0.77 2b8hA1 LEU 362 HD23 -0.02 -0.01 -0.16 -0.04 0.89 0.66 2b8hA1 GLY 363 H -0.56 0.41 0.32 -0.55 8.43 8.06 2b8hA1 GLY 363 HA2 -0.35 0.24 1.08 -0.51 4.01 4.47 2b8hA1 GLY 363 HA3 -0.50 -0.05 0.35 -0.51 4.01 3.30 2b8hA1 ARG 364 H -0.72 0.49 0.33 -0.55 8.46 8.01 2b8hA1 ARG 364 HA -0.30 0.11 0.34 -0.75 4.34 3.73 2b8hA1 ARG 364 HB2 -0.15 0.17 0.10 -0.04 1.90 1.98 2b8hA1 ARG 364 HB3 -0.19 0.05 0.02 -0.04 1.80 1.64 2b8hA1 ARG 364 HG2 -0.22 -0.17 -0.21 -0.04 1.67 1.03 2b8hA1 ARG 364 HG3 -0.20 0.05 -0.38 -0.04 1.67 1.10 2b8hA1 ARG 364 HD2 -0.10 0.20 -0.03 -0.04 3.22 3.25 2b8hA1 ARG 364 HD3 -0.12 -0.02 -0.21 -0.04 3.22 2.83 2b8hA1 THR 365 H -0.09 0.23 0.10 -0.55 8.28 7.96 2b8hA1 THR 365 HA -0.02 0.19 0.47 -0.75 4.39 4.27 2b8hA1 THR 365 HB 0.08 0.03 0.19 -0.04 4.32 4.57 2b8hA1 THR 365 HG23 0.17 -0.03 0.03 -0.04 1.22 1.36 2b8hA1 ILE 366 H -0.01 0.14 0.10 -0.55 8.25 7.93 2b8hA1 ILE 366 HA -0.06 0.12 0.50 -0.75 4.18 3.99 2b8hA1 ILE 366 HB -0.01 -0.06 0.13 -0.04 1.89 1.90 2b8hA1 ILE 366 HG12 -0.03 0.07 -0.08 -0.04 1.49 1.40 2b8hA1 ILE 366 HG13 -0.02 -0.04 -0.09 -0.04 1.21 1.02 2b8hA1 ILE 366 HG23 -0.02 -0.02 -0.08 -0.04 0.93 0.77 2b8hA1 ILE 366 HD13 0.02 -0.03 0.01 -0.04 0.88 0.83 2b8hA1 SER 367 H 0.01 0.35 0.15 -0.55 8.46 8.42 2b8hA1 SER 367 HA -0.00 0.02 0.59 -0.75 4.49 4.34 2b8hA1 SER 367 HB2 0.01 -0.00 0.13 -0.04 3.95 4.05 2b8hA1 SER 367 HB3 0.05 0.19 0.22 -0.04 3.93 4.35 2b8hA1 VAL 368 H 0.01 0.04 0.21 -0.55 8.24 7.94 2b8hA1 VAL 368 HA 0.00 0.34 0.67 -0.75 4.13 4.38 2b8hA1 VAL 368 HB 0.00 0.30 0.06 -0.04 2.12 2.44 2b8hA1 VAL 368 HG13 -0.02 0.01 -0.06 -0.04 0.97 0.86 2b8hA1 VAL 368 HG23 0.01 -0.05 -0.08 -0.04 0.95 0.79 2b8hA1 ALA 369 H 0.03 -0.10 0.01 -0.55 8.40 7.79 2b8hA1 ALA 369 HA 0.04 0.23 0.85 -0.75 4.34 4.70 2b8hA1 ALA 369 HB3 0.04 -0.01 0.04 -0.04 1.41 1.43 2b8hA1 SER 370 H 0.08 0.03 -0.02 -0.55 8.46 8.00 2b8hA1 SER 370 HA 0.11 0.27 0.73 -0.75 4.49 4.85 2b8hA1 SER 370 HB2 0.21 -0.01 0.05 -0.04 3.95 4.15 2b8hA1 SER 370 HB3 0.14 0.04 -0.31 -0.04 3.93 3.76 2b8hA1 ARG 371 H 0.20 0.17 0.02 -0.55 8.46 8.30 2b8hA1 ARG 371 HA 0.18 0.21 0.43 -0.75 4.34 4.40 2b8hA1 ARG 371 HB2 0.15 -0.02 0.16 -0.04 1.90 2.15 2b8hA1 ARG 371 HB3 0.20 -0.02 -0.02 -0.04 1.80 1.92 2b8hA1 ARG 371 HG2 0.17 0.08 -0.06 -0.04 1.67 1.82 2b8hA1 ARG 371 HG3 0.12 -0.01 -0.11 -0.04 1.67 1.64 2b8hA1 ARG 371 HD2 0.06 -0.03 0.04 -0.04 3.22 3.26 2b8hA1 ARG 371 HD3 0.13 -0.07 0.06 -0.04 3.22 3.30 2b8hA1 SER 372 H 0.16 0.60 0.07 -0.55 8.46 8.74 2b8hA1 SER 372 HA 0.17 0.10 0.97 -0.75 4.49 4.97 2b8hA1 SER 372 HB2 -0.26 0.14 -0.02 -0.04 3.95 3.77 2b8hA1 SER 372 HB3 -0.00 -0.06 -0.24 -0.04 3.93 3.59 2b8hA1 GLY 373 H 0.02 0.73 0.22 -0.55 8.43 8.85 2b8hA1 GLY 373 HA2 0.06 0.20 -0.02 -0.51 4.01 3.74 2b8hA1 GLY 373 HA3 0.03 -0.11 0.41 -0.51 4.01 3.84 2b8hA1 TYR 374 H 0.13 0.59 0.33 -0.55 8.29 8.79 2b8hA1 TYR 374 HA 0.04 0.36 0.56 -0.75 4.56 4.77 2b8hA1 TYR 374 HB2 0.10 0.05 -0.28 -0.04 3.06 2.90 2b8hA1 TYR 374 HB3 0.12 -0.18 -0.06 -0.04 2.98 2.82 2b8hA1 TYR 374 HD2 0.07 -0.03 -0.18 -0.04 7.15 6.97 2b8hA1 TYR 374 HE2 -0.10 0.03 -0.11 -0.04 6.85 6.63 2b8hA1 GLU 375 H -0.57 0.76 0.32 -0.55 8.60 8.56 2b8hA1 GLU 375 HA 0.08 0.07 1.02 -0.75 4.29 4.71 2b8hA1 GLU 375 HB2 0.03 0.04 -0.03 -0.04 2.09 2.08 2b8hA1 GLU 375 HB3 -0.00 -0.10 -0.14 -0.04 1.99 1.70 2b8hA1 GLU 375 HG2 -0.18 0.17 -0.09 -0.04 2.34 2.21 2b8hA1 GLU 375 HG3 -0.11 0.01 -0.27 -0.04 2.34 1.92 2b8hA1 MET 376 H 0.11 0.67 0.35 -0.55 8.47 9.05 2b8hA1 MET 376 HA -0.06 0.34 0.99 -0.75 4.52 5.04 2b8hA1 MET 376 HB2 0.17 -0.04 0.06 -0.04 2.15 2.30 2b8hA1 MET 376 HB3 0.35 -0.00 -0.14 -0.04 2.03 2.20 2b8hA1 MET 376 HG2 -0.32 -0.04 -0.20 -0.04 2.63 2.03 2b8hA1 MET 376 HG3 -1.63 -0.03 -0.20 -0.04 2.56 0.66 2b8hA1 MET 376 HE3 -0.41 -0.01 -0.41 -0.04 2.10 1.23 2b8hA1 LEU 377 H 0.12 0.72 0.27 -0.55 8.37 8.93 2b8hA1 LEU 377 HA -0.01 0.15 0.99 -0.75 4.35 4.73 2b8hA1 LEU 377 HB2 -0.07 -0.01 0.05 -0.04 1.64 1.58 2b8hA1 LEU 377 HB3 -0.10 0.05 -0.03 -0.04 1.64 1.51 2b8hA1 LEU 377 HG -0.04 -0.07 -0.51 -0.04 1.64 0.98 2b8hA1 LEU 377 HD13 -0.07 0.02 -0.13 -0.04 0.93 0.71 2b8hA1 LEU 377 HD23 -0.00 0.01 -0.03 -0.04 0.89 0.82 2b8hA1 LYS 378 H -0.72 0.47 0.13 -0.55 8.42 7.75 2b8hA1 LYS 378 HA -1.26 0.21 0.85 -0.75 4.32 3.36 2b8hA1 LYS 378 HB2 -2.08 0.00 0.03 -0.04 1.87 -0.23 2b8hA1 LYS 378 HB3 -0.64 -0.22 0.22 -0.04 1.79 1.11 2b8hA1 LYS 378 HG2 -0.47 0.00 -0.07 -0.04 1.46 0.89 2b8hA1 LYS 378 HG3 -1.13 0.07 -0.02 -0.04 1.46 0.34 2b8hA1 LYS 378 HD2 -0.13 0.04 -0.02 -0.04 1.69 1.54 2b8hA1 LYS 378 HD3 -0.21 -0.08 -0.04 -0.04 1.68 1.31 2b8hA1 LYS 378 HE2 -0.08 0.02 0.06 -0.04 2.99 2.95 2b8hA1 LYS 378 HE3 0.04 0.02 0.04 -0.04 2.99 3.05 2b8hA1 VAL 379 H -0.27 0.51 0.05 -0.55 8.24 7.98 2b8hA1 VAL 379 HA -0.14 0.26 0.69 -0.75 4.13 4.19 2b8hA1 VAL 379 HB -0.08 -0.11 -0.02 -0.04 2.12 1.88 2b8hA1 VAL 379 HG13 -0.06 0.02 -0.32 -0.04 0.97 0.56 2b8hA1 VAL 379 HG23 -0.11 0.02 -0.42 -0.04 0.95 0.40 2b8hA1 PRO 380 HA -0.03 0.00 0.59 -0.51 4.44 4.49 2b8hA1 PRO 380 HB2 -0.03 0.01 0.11 -0.04 2.28 2.33 2b8hA1 PRO 380 HB3 -0.02 -0.05 0.14 -0.04 2.02 2.05 2b8hA1 PRO 380 HG2 -0.05 0.04 0.10 -0.04 2.03 2.07 2b8hA1 PRO 380 HG3 -0.07 0.12 0.13 -0.04 2.03 2.16 2b8hA1 PRO 380 HD2 -0.09 0.23 0.19 -0.04 3.68 3.97 2b8hA1 PRO 380 HD3 -0.16 0.10 -0.13 -0.04 3.65 3.42 2b8hA1 ASN 381 H 0.01 0.73 0.30 -0.55 8.53 9.02 2b8hA1 ASN 381 HA 0.03 -0.10 0.39 -0.75 4.76 4.33 2b8hA1 ASN 381 HB2 0.00 0.20 -0.26 -0.04 2.88 2.78 2b8hA1 ASN 381 HB3 0.01 -0.09 0.10 -0.04 2.79 2.78 2b8hA1 ASN 381 HD21 0.01 -0.02 -0.14 -0.04 7.03 6.83 2b8hA1 ASN 381 HD22 0.00 0.10 -0.25 -0.04 7.74 7.55 2b8hA1 ALA 382 H 0.00 0.38 -0.13 -0.55 8.40 8.10 2b8hA1 ALA 382 HA -0.01 0.17 0.22 -0.75 4.34 3.96 2b8hA1 ALA 382 HB3 -0.01 0.03 -0.02 -0.04 1.41 1.37 2b8hA1 LEU 383 H 0.03 -0.00 -0.31 -0.55 8.37 7.55 2b8hA1 LEU 383 HA 0.04 0.07 0.45 -0.75 4.35 4.15 2b8hA1 LEU 383 HB2 0.05 -0.02 0.03 -0.04 1.64 1.67 2b8hA1 LEU 383 HB3 0.04 -0.08 0.01 -0.04 1.64 1.57 2b8hA1 LEU 383 HG 0.04 0.04 -0.27 -0.04 1.64 1.41 2b8hA1 LEU 383 HD13 0.04 0.03 -0.06 -0.04 0.93 0.90 2b8hA1 LEU 383 HD23 0.04 -0.01 -0.09 -0.04 0.89 0.80 2b8hA1 THR 384 H 0.02 0.25 -0.20 -0.55 8.28 7.81 2b8hA1 THR 384 HA 0.03 0.20 0.60 -0.75 4.39 4.46 2b8hA1 THR 384 HB 0.02 0.01 0.07 -0.04 4.32 4.38 2b8hA1 THR 384 HG23 0.03 -0.02 -0.11 -0.04 1.22 1.08 2b8hA1 ASP 385 H 0.01 0.41 -0.07 -0.55 8.40 8.21 2b8hA1 ASP 385 HA 0.01 0.10 0.90 -0.75 4.63 4.88 2b8hA1 ASP 385 HB2 0.00 -0.04 -0.04 -0.04 2.71 2.59 2b8hA1 ASP 385 HB3 -0.00 0.18 0.09 -0.04 2.70 2.92 2b8hA1 ASP 386 H 0.01 0.19 0.03 -0.55 8.40 8.08 2b8hA1 ASP 386 HA 0.00 0.39 -0.10 -0.75 4.63 4.17 2b8hA1 ASP 386 HB2 0.02 0.11 0.03 -0.04 2.71 2.82 2b8hA1 ASP 386 HB3 0.02 -0.05 -0.08 -0.04 2.70 2.54 2b8hA1 ARG 387 H -0.01 -0.08 -0.52 -0.55 8.46 7.30 2b8hA1 ARG 387 HA -0.02 0.42 0.93 -0.75 4.34 4.92 2b8hA1 ARG 387 HB2 -0.01 -0.11 -0.06 -0.04 1.90 1.68 2b8hA1 ARG 387 HB3 -0.01 0.01 0.08 -0.04 1.80 1.83 2b8hA1 ARG 387 HG2 -0.01 0.14 0.00 -0.04 1.67 1.76 2b8hA1 ARG 387 HG3 -0.00 -0.04 -0.38 -0.04 1.67 1.20 2b8hA1 ARG 387 HD2 -0.00 -0.06 -0.08 -0.04 3.22 3.03 2b8hA1 ARG 387 HD3 -0.01 -0.01 -0.04 -0.04 3.22 3.13 2b8hA1 SER 388 H -0.02 0.18 -0.06 -0.55 8.46 8.01 2b8hA1 SER 388 HA -0.03 -0.04 0.48 -0.75 4.49 4.14 2b8hA1 SER 388 HB2 -0.04 0.03 -0.12 -0.04 3.95 3.78 2b8hA1 SER 388 HB3 -0.02 -0.04 0.04 -0.04 3.93 3.86 2b8hA1 LYS 389 H -0.05 0.13 0.24 -0.55 8.42 8.19 2b8hA1 LYS 389 HA -0.06 0.16 0.74 -0.75 4.32 4.40 2b8hA1 LYS 389 HB2 -0.04 -0.07 0.05 -0.04 1.87 1.77 2b8hA1 LYS 389 HB3 -0.05 0.03 0.11 -0.04 1.79 1.84 2b8hA1 LYS 389 HG2 -0.04 0.17 -0.40 -0.04 1.46 1.15 2b8hA1 LYS 389 HG3 -0.03 -0.07 -0.02 -0.04 1.46 1.29 2b8hA1 LYS 389 HD2 -0.04 -0.07 -0.01 -0.04 1.69 1.53 2b8hA1 LYS 389 HD3 -0.06 -0.00 -0.02 -0.04 1.68 1.56 2b8hA1 LYS 389 HE2 -0.06 0.06 -0.14 -0.04 2.99 2.81 2b8hA1 LYS 389 HE3 -0.04 -0.08 -0.01 -0.04 2.99 2.82 2b8hA1 PRO 390 HA -0.14 0.37 0.68 -0.51 4.44 4.85 2b8hA1 PRO 390 HB2 -0.07 -0.04 0.01 -0.04 2.28 2.14 2b8hA1 PRO 390 HB3 -0.11 0.06 0.09 -0.04 2.02 2.03 2b8hA1 PRO 390 HG2 -0.06 0.02 0.03 -0.04 2.03 1.98 2b8hA1 PRO 390 HG3 -0.08 0.03 -0.00 -0.04 2.03 1.94 2b8hA1 PRO 390 HD2 -0.05 0.09 0.17 -0.04 3.68 3.84 2b8hA1 PRO 390 HD3 -0.06 0.14 0.19 -0.04 3.65 3.88 2b8hA1 THR 391 H -0.18 0.54 0.41 -0.55 8.28 8.50 2b8hA1 THR 391 HA -0.06 0.20 1.05 -0.75 4.39 4.83 2b8hA1 THR 391 HB -0.05 -0.05 0.17 -0.04 4.32 4.35 2b8hA1 THR 391 HG23 -0.06 0.02 0.00 -0.04 1.22 1.14 2b8hA1 GLN 392 H -0.21 0.34 0.32 -0.55 8.47 8.38 2b8hA1 GLN 392 HA 0.01 0.10 0.54 -0.75 4.36 4.26 2b8hA1 GLN 392 HB2 -0.00 0.06 -0.24 -0.04 2.15 1.93 2b8hA1 GLN 392 HB3 -0.23 -0.06 -0.02 -0.04 2.02 1.68 2b8hA1 GLN 392 HG2 0.27 -0.03 0.17 -0.04 2.40 2.77 2b8hA1 GLN 392 HG3 0.18 0.01 0.15 -0.04 2.39 2.70 2b8hA1 GLN 392 HE21 0.39 0.71 0.16 -0.04 6.97 8.19 2b8hA1 GLN 392 HE22 0.46 -0.05 0.06 -0.04 7.69 8.13 2b8hA1 GLY 393 H 0.16 0.25 0.21 -0.55 8.43 8.50 2b8hA1 GLY 393 HA2 0.22 0.17 0.65 -0.51 4.01 4.54 2b8hA1 GLY 393 HA3 0.13 0.03 0.41 -0.51 4.01 4.06 2b8hA1 GLN 394 H 0.32 0.68 0.29 -0.55 8.47 9.20 2b8hA1 GLN 394 HA 0.27 0.06 0.54 -0.75 4.36 4.47 2b8hA1 GLN 394 HB2 0.47 0.09 -0.12 -0.04 2.15 2.55 2b8hA1 GLN 394 HB3 0.44 -0.09 0.00 -0.04 2.02 2.34 2b8hA1 GLN 394 HG2 0.33 0.14 -0.20 -0.04 2.40 2.63 2b8hA1 GLN 394 HG3 0.30 -0.01 0.12 -0.04 2.39 2.75 2b8hA1 GLN 394 HE21 0.36 0.41 0.07 -0.04 6.97 7.77 2b8hA1 GLN 394 HE22 0.38 0.04 -0.03 -0.04 7.69 8.05 2b8hA1 THR 395 H 0.18 0.13 0.11 -0.55 8.28 8.15 2b8hA1 THR 395 HA 0.15 0.12 1.05 -0.75 4.39 4.95 2b8hA1 THR 395 HB 0.13 0.02 0.06 -0.04 4.32 4.48 2b8hA1 THR 395 HG23 0.09 -0.01 -0.15 -0.04 1.22 1.11 2b8hA1 ILE 396 H 0.21 0.69 0.45 -0.55 8.25 9.04 2b8hA1 ILE 396 HA 0.38 0.18 0.82 -0.75 4.18 4.80 2b8hA1 ILE 396 HB 0.39 0.01 -0.07 -0.04 1.89 2.18 2b8hA1 ILE 396 HG12 0.25 0.02 -0.19 -0.04 1.49 1.53 2b8hA1 ILE 396 HG13 0.40 0.00 -0.25 -0.04 1.21 1.32 2b8hA1 ILE 396 HG23 0.28 -0.01 -0.17 -0.04 0.93 0.99 2b8hA1 ILE 396 HD13 0.26 0.02 -0.30 -0.04 0.88 0.81 2b8hA1 VAL 397 H 0.21 0.54 0.34 -0.55 8.24 8.79 2b8hA1 VAL 397 HA 0.12 -0.02 0.81 -0.75 4.13 4.29 2b8hA1 VAL 397 HB 0.20 -0.07 -0.13 -0.04 2.12 2.09 2b8hA1 VAL 397 HG13 0.08 0.10 -0.22 -0.04 0.97 0.89 2b8hA1 VAL 397 HG23 0.19 0.06 -0.23 -0.04 0.95 0.93 2b8hA1 LEU 398 H 0.01 0.11 0.07 -0.55 8.37 8.01 2b8hA1 LEU 398 HA 0.01 0.13 0.40 -0.75 4.35 4.14 2b8hA1 LEU 398 HB2 -0.06 -0.01 0.05 -0.04 1.64 1.59 2b8hA1 LEU 398 HB3 -0.04 -0.04 0.12 -0.04 1.64 1.64 2b8hA1 LEU 398 HG -0.03 -0.03 0.01 -0.04 1.64 1.55 2b8hA1 LEU 398 HD13 -0.05 0.02 -0.02 -0.04 0.93 0.84 2b8hA1 LEU 398 HD23 0.01 0.03 -0.04 -0.04 0.89 0.85 2b8hA1 ASN 399 H -0.03 0.20 0.20 -0.55 8.53 8.35 2b8hA1 ASN 399 HA -0.06 0.13 0.45 -0.75 4.76 4.53 2b8hA1 ASN 399 HB2 -0.03 0.03 0.11 -0.04 2.88 2.96 2b8hA1 ASN 399 HB3 -0.05 0.01 0.02 -0.04 2.79 2.73 2b8hA1 ASN 399 HD21 -0.03 -0.01 -0.03 -0.04 7.03 6.92 2b8hA1 ASN 399 HD22 -0.04 0.00 -0.06 -0.04 7.74 7.60 2b8hA1 THR 400 H -0.10 -0.03 -0.36 -0.55 8.28 7.24 2b8hA1 THR 400 HA -0.25 0.19 0.68 -0.75 4.39 4.26 2b8hA1 THR 400 HB -0.15 0.03 0.10 -0.04 4.32 4.26 2b8hA1 THR 400 HG23 -0.09 0.00 -0.03 -0.04 1.22 1.07 2b8hA1 ASP 401 H -0.18 0.51 -0.36 -0.55 8.40 7.83 2b8hA1 ASP 401 HA -0.36 0.14 0.90 -0.75 4.63 4.56 2b8hA1 ASP 401 HB2 -0.05 0.03 0.06 -0.04 2.71 2.71 2b8hA1 ASP 401 HB3 -0.02 0.03 0.08 -0.04 2.70 2.75 2b8hA1 TRP 402 H -0.13 0.06 0.17 -0.55 7.97 7.52 2b8hA1 TRP 402 HA 0.04 0.15 0.76 -0.75 4.62 4.81 2b8hA1 TRP 402 HB2 0.03 -0.04 0.21 -0.04 3.23 3.39 2b8hA1 TRP 402 HB3 0.03 0.19 0.22 -0.04 3.23 3.64 2b8hA1 TRP 402 HD1 -0.00 -0.09 0.11 -0.04 7.22 7.20 2b8hA1 TRP 402 HE1 -0.04 -0.05 -0.00 -0.04 10.20 10.07 2b8hA1 TRP 402 HE3 0.02 0.31 -0.03 -0.04 7.59 7.85 2b8hA1 TRP 402 HZ2 -0.03 0.02 -0.02 -0.04 7.44 7.37 2b8hA1 TRP 402 HZ3 0.01 -0.08 -0.17 -0.04 7.13 6.84 2b8hA1 TRP 402 HH2 -0.02 -0.00 -0.04 -0.04 7.19 7.09 2b8hA1 SER 403 H 0.35 0.62 0.21 -0.55 8.46 9.10 2b8hA1 SER 403 HA 0.19 0.09 0.76 -0.75 4.49 4.77 2b8hA1 SER 403 HB2 0.23 0.03 0.08 -0.04 3.95 4.25 2b8hA1 SER 403 HB3 0.22 -0.12 -0.24 -0.04 3.93 3.76 2b8hA1 GLY 404 H 0.22 0.29 0.22 -0.55 8.43 8.62 2b8hA1 GLY 404 HA2 0.19 -0.02 0.49 -0.51 4.01 4.16 2b8hA1 GLY 404 HA3 0.15 0.03 0.49 -0.51 4.01 4.18 2b8hA1 TYR 405 H 0.30 0.02 0.22 -0.55 8.29 8.28 2b8hA1 TYR 405 HA 0.11 0.28 0.65 -0.75 4.56 4.84 2b8hA1 TYR 405 HB2 0.17 -0.13 0.20 -0.04 3.06 3.26 2b8hA1 TYR 405 HB3 0.20 0.15 0.10 -0.04 2.98 3.39 2b8hA1 TYR 405 HD2 0.12 0.04 0.13 -0.04 7.15 7.39 2b8hA1 TYR 405 HE2 0.08 0.06 0.11 -0.04 6.85 7.06 2b8hA1 SER 406 H 0.08 0.47 0.17 -0.55 8.46 8.63 2b8hA1 SER 406 HA -0.43 0.13 0.59 -0.75 4.49 4.02 2b8hA1 SER 406 HB2 -0.07 -0.02 0.18 -0.04 3.95 4.00 2b8hA1 SER 406 HB3 -0.31 0.01 0.14 -0.04 3.93 3.72 2b8hA1 GLY 407 H -1.01 0.40 0.33 -0.55 8.43 7.60 2b8hA1 GLY 407 HA2 -0.08 0.19 0.74 -0.51 4.01 4.35 2b8hA1 GLY 407 HA3 -0.14 0.07 0.19 -0.51 4.01 3.62 2b8hA1 SER 408 H 0.01 0.18 0.26 -0.55 8.46 8.36 2b8hA1 SER 408 HA -0.18 0.23 1.05 -0.75 4.49 4.84 2b8hA1 SER 408 HB2 -0.07 0.00 0.06 -0.04 3.95 3.90 2b8hA1 SER 408 HB3 -0.19 -0.04 0.00 -0.04 3.93 3.66 2b8hA1 PHE 409 H -0.13 0.53 0.31 -0.55 8.34 8.49 2b8hA1 PHE 409 HA 0.14 0.15 0.48 -0.75 4.62 4.64 2b8hA1 PHE 409 HB2 0.10 -0.06 0.14 -0.04 3.15 3.29 2b8hA1 PHE 409 HB3 0.13 0.17 0.14 -0.04 3.06 3.46 2b8hA1 PHE 409 HD2 0.08 -0.01 -0.37 -0.04 7.28 6.95 2b8hA1 PHE 409 HE2 -0.16 -0.01 -0.37 -0.04 7.38 6.80 2b8hA1 PHE 409 HZ -0.16 -0.01 -0.20 -0.04 7.32 6.91 2b8hA1 MET 410 H 0.10 0.31 0.28 -0.55 8.47 8.62 2b8hA1 MET 410 HA -0.38 0.19 0.56 -0.75 4.52 4.14 2b8hA1 MET 410 HB2 -1.10 -0.05 -0.01 -0.04 2.15 0.95 2b8hA1 MET 410 HB3 -0.54 0.01 0.01 -0.04 2.03 1.47 2b8hA1 MET 410 HG2 -0.23 0.13 0.21 -0.04 2.63 2.71 2b8hA1 MET 410 HG3 0.01 -0.07 -0.33 -0.04 2.56 2.12 2b8hA1 MET 410 HE3 0.12 -0.05 -0.04 -0.04 2.10 2.09 2b8hA1 ASP 411 H -0.20 0.27 0.12 -0.55 8.40 8.05 2b8hA1 ASP 411 HA 0.18 0.11 0.85 -0.75 4.63 5.01 2b8hA1 ASP 411 HB2 0.14 0.04 0.05 -0.04 2.71 2.89 2b8hA1 ASP 411 HB3 0.03 0.03 0.22 -0.04 2.70 2.94 2b8hA1 TYR 412 H -0.11 0.27 0.05 -0.55 8.29 7.95 2b8hA1 TYR 412 HA -0.46 0.10 0.33 -0.75 4.56 3.78 2b8hA1 TYR 412 HB2 -1.92 0.02 0.03 -0.04 3.06 1.15 2b8hA1 TYR 412 HB3 -0.95 0.02 0.10 -0.04 2.98 2.11 2b8hA1 TYR 412 HD2 -0.85 0.02 0.05 -0.04 7.15 6.33 2b8hA1 TYR 412 HE2 -0.21 0.21 0.13 -0.04 6.85 6.93 2b8hA1 TRP 413 H 0.33 -0.02 -0.57 -0.55 7.97 7.17 2b8hA1 TRP 413 HA 0.14 0.25 0.89 -0.75 4.62 5.14 2b8hA1 TRP 413 HB2 0.06 0.02 -0.01 -0.04 3.23 3.26 2b8hA1 TRP 413 HB3 0.06 0.09 0.20 -0.04 3.23 3.54 2b8hA1 TRP 413 HD1 0.09 0.06 0.03 -0.04 7.22 7.36 2b8hA1 TRP 413 HE1 0.14 0.02 -0.01 -0.04 10.20 10.31 2b8hA1 TRP 413 HE3 0.10 0.02 -0.21 -0.04 7.59 7.45 2b8hA1 TRP 413 HZ2 0.21 -0.08 -0.28 -0.04 7.44 7.26 2b8hA1 TRP 413 HZ3 0.22 0.06 -0.03 -0.04 7.13 7.34 2b8hA1 TRP 413 HH2 0.21 0.13 0.02 -0.04 7.19 7.52 2b8hA1 ALA 414 H 0.13 0.21 -0.14 -0.55 8.40 8.06 2b8hA1 ALA 414 HA 0.13 0.05 0.62 -0.75 4.34 4.38 2b8hA1 ALA 414 HB3 0.08 -0.01 0.15 -0.04 1.41 1.59 2b8hA1 GLU 415 H 0.06 0.02 0.15 -0.55 8.60 8.29 2b8hA1 GLU 415 HA 0.05 0.19 0.69 -0.75 4.29 4.47 2b8hA1 GLU 415 HB2 0.03 -0.03 0.12 -0.04 2.09 2.17 2b8hA1 GLU 415 HB3 0.02 -0.08 0.19 -0.04 1.99 2.09 2b8hA1 GLU 415 HG2 0.05 -0.00 0.08 -0.04 2.34 2.43 2b8hA1 GLU 415 HG3 0.03 -0.02 0.06 -0.04 2.34 2.38 2b8hA1 GLY 416 H 0.01 0.08 0.15 -0.55 8.43 8.13 2b8hA1 GLY 416 HA2 -0.01 -0.01 0.32 -0.51 4.01 3.80 2b8hA1 GLY 416 HA3 -0.02 0.09 0.44 -0.51 4.01 4.01 2b8hA1 GLU 417 H -0.04 0.07 0.18 -0.55 8.60 8.26 2b8hA1 GLU 417 HA -0.07 0.22 0.55 -0.75 4.29 4.25 2b8hA1 GLU 417 HB2 -0.04 -0.02 0.08 -0.04 2.09 2.06 2b8hA1 GLU 417 HB3 -0.05 0.02 0.10 -0.04 1.99 2.02 2b8hA1 GLU 417 HG2 -0.02 0.00 -0.04 -0.04 2.34 2.24 2b8hA1 GLU 417 HG3 -0.02 0.00 -0.00 -0.04 2.34 2.27 2b8hA1 CYS 418 H -0.08 0.13 0.04 -0.55 8.50 8.04 2b8hA1 CYS 418 HA -0.22 0.17 0.80 -0.75 4.58 4.58 2b8hA1 CYS 418 HB2 -0.07 0.09 -0.29 -0.04 2.97 2.65 2b8hA1 CYS 418 HB3 -0.08 0.01 -0.24 -0.04 2.97 2.62 2b8hA1 TYR 419 H -0.15 0.59 0.18 -0.55 8.29 8.36 2b8hA1 TYR 419 HA -0.10 0.17 0.82 -0.75 4.56 4.70 2b8hA1 TYR 419 HB2 -0.01 -0.02 -0.04 -0.04 3.06 2.94 2b8hA1 TYR 419 HB3 -0.16 -0.00 -0.11 -0.04 2.98 2.67 2b8hA1 TYR 419 HD2 0.02 0.08 -0.03 -0.04 7.15 7.17 2b8hA1 TYR 419 HE2 0.03 0.04 -0.00 -0.04 6.85 6.88 2b8hA1 ARG 420 H -0.03 0.22 0.14 -0.55 8.46 8.24 2b8hA1 ARG 420 HA -0.17 0.03 0.79 -0.75 4.34 4.24 2b8hA1 ARG 420 HB2 -0.09 0.00 0.04 -0.04 1.90 1.81 2b8hA1 ARG 420 HB3 -0.10 -0.02 0.18 -0.04 1.80 1.82 2b8hA1 ARG 420 HG2 -0.22 0.03 -0.17 -0.04 1.67 1.27 2b8hA1 ARG 420 HG3 -0.18 0.09 0.06 -0.04 1.67 1.59 2b8hA1 ARG 420 HD2 -0.02 -0.07 0.00 -0.04 3.22 3.09 2b8hA1 ARG 420 HD3 0.08 0.09 -0.02 -0.04 3.22 3.32 2b8hA1 ALA 421 H -0.35 0.13 0.21 -0.55 8.40 7.84 2b8hA1 ALA 421 HA -0.43 0.08 0.43 -0.75 4.34 3.67 2b8hA1 ALA 421 HB3 -1.09 0.01 0.07 -0.04 1.41 0.36 2b8hA1 CYS 422 H -0.26 0.37 0.46 -0.55 8.50 8.53 2b8hA1 CYS 422 HA -0.20 0.19 1.09 -0.75 4.58 4.91 2b8hA1 CYS 422 HB2 -1.93 0.05 0.05 -0.04 2.97 1.10 2b8hA1 CYS 422 HB3 -1.06 0.05 0.15 -0.04 2.97 2.07 2b8hA1 PHE 423 H -0.48 0.61 0.42 -0.55 8.34 8.33 2b8hA1 PHE 423 HA -0.31 0.15 0.64 -0.75 4.62 4.34 2b8hA1 PHE 423 HB2 -1.30 0.13 0.17 -0.04 3.15 2.11 2b8hA1 PHE 423 HB3 -1.11 -0.00 -0.04 -0.04 3.06 1.86 2b8hA1 PHE 423 HD2 -0.53 0.07 -0.33 -0.04 7.28 6.45 2b8hA1 PHE 423 HE2 -0.92 -0.01 -0.26 -0.04 7.38 6.14 2b8hA1 PHE 423 HZ -0.33 -0.01 -0.23 -0.04 7.32 6.71 2b8hA1 TYR 424 H -0.40 0.49 0.35 -0.55 8.29 8.18 2b8hA1 TYR 424 HA -0.17 0.18 1.07 -0.75 4.56 4.89 2b8hA1 TYR 424 HB2 -0.15 0.04 -0.07 -0.04 3.06 2.84 2b8hA1 TYR 424 HB3 -0.05 -0.09 -0.19 -0.04 2.98 2.61 2b8hA1 TYR 424 HD2 0.06 -0.04 -0.38 -0.04 7.15 6.74 2b8hA1 TYR 424 HE2 0.10 -0.02 -0.20 -0.04 6.85 6.68 2b8hA1 VAL 425 H 0.01 0.70 0.35 -0.55 8.24 8.74 2b8hA1 VAL 425 HA -0.14 0.32 0.89 -0.75 4.13 4.44 2b8hA1 VAL 425 HB -0.04 -0.10 -0.00 -0.04 2.12 1.94 2b8hA1 VAL 425 HG13 -0.12 0.06 -0.12 -0.04 0.97 0.76 2b8hA1 VAL 425 HG23 -0.36 -0.01 -0.20 -0.04 0.95 0.34 2b8hA1 GLU 426 H 0.18 0.83 0.10 -0.55 8.60 9.16 2b8hA1 GLU 426 HA 0.11 0.10 0.71 -0.75 4.29 4.45 2b8hA1 GLU 426 HB2 0.24 0.05 0.08 -0.04 2.09 2.42 2b8hA1 GLU 426 HB3 0.19 -0.03 0.17 -0.04 1.99 2.27 2b8hA1 GLU 426 HG2 0.06 0.03 -0.32 -0.04 2.34 2.07 2b8hA1 GLU 426 HG3 0.06 -0.01 -0.04 -0.04 2.34 2.31 2b8hA1 LEU 427 H 0.09 0.58 0.18 -0.55 8.37 8.67 2b8hA1 LEU 427 HA 0.15 0.25 0.65 -0.75 4.35 4.64 2b8hA1 LEU 427 HB2 0.11 -0.28 0.17 -0.04 1.64 1.59 2b8hA1 LEU 427 HB3 0.14 -0.01 0.08 -0.04 1.64 1.81 2b8hA1 LEU 427 HG 0.09 0.08 -0.24 -0.04 1.64 1.53 2b8hA1 LEU 427 HD13 0.11 -0.07 -0.26 -0.04 0.93 0.68 2b8hA1 LEU 427 HD23 0.12 0.04 -0.15 -0.04 0.89 0.86 2b8hA1 ILE 428 H 0.14 0.68 0.02 -0.55 8.25 8.54 2b8hA1 ILE 428 HA 0.06 0.13 0.66 -0.75 4.18 4.27 2b8hA1 ILE 428 HB 0.00 0.04 0.20 -0.04 1.89 2.09 2b8hA1 ILE 428 HG12 -0.01 -0.04 0.01 -0.04 1.49 1.41 2b8hA1 ILE 428 HG13 0.06 0.02 -0.02 -0.04 1.21 1.22 2b8hA1 ILE 428 HG23 -0.07 0.01 -0.06 -0.04 0.93 0.77 2b8hA1 ILE 428 HD13 -0.03 -0.01 0.15 -0.04 0.88 0.94 2b8hA1 ARG 429 H 0.09 0.71 0.38 -0.55 8.46 9.09 2b8hA1 ARG 429 HA -0.04 0.15 0.93 -0.75 4.34 4.63 2b8hA1 ARG 429 HB2 0.29 -0.03 -0.07 -0.04 1.90 2.05 2b8hA1 ARG 429 HB3 0.15 -0.06 0.00 -0.04 1.80 1.86 2b8hA1 ARG 429 HG2 0.15 0.12 -0.29 -0.04 1.67 1.60 2b8hA1 ARG 429 HG3 0.17 -0.14 -0.13 -0.04 1.67 1.54 2b8hA1 ARG 429 HD2 0.24 0.40 -0.09 -0.04 3.22 3.73 2b8hA1 ARG 429 HD3 0.22 -0.15 -0.07 -0.04 3.22 3.17 2b8hA1 GLY 430 H -0.29 0.04 0.17 -0.55 8.43 7.80 2b8hA1 GLY 430 HA2 -0.73 0.05 0.44 -0.51 4.01 3.26 2b8hA1 GLY 430 HA3 -0.58 0.25 0.85 -0.51 4.01 4.02 2b8hA1 ARG 431 H -0.30 0.59 0.21 -0.55 8.46 8.41 2b8hA1 ARG 431 HA -0.29 -0.15 0.02 -0.75 4.34 3.17 2b8hA1 ARG 431 HB2 -0.16 -0.01 -0.15 -0.04 1.90 1.54 2b8hA1 ARG 431 HB3 -0.18 0.01 -0.08 -0.04 1.80 1.51 2b8hA1 ARG 431 HG2 -0.29 -0.06 -0.11 -0.04 1.67 1.17 2b8hA1 ARG 431 HG3 -0.35 0.11 -0.08 -0.04 1.67 1.31 2b8hA1 ARG 431 HD2 -0.10 -0.03 -0.19 -0.04 3.22 2.87 2b8hA1 ARG 431 HD3 -0.14 -0.05 -0.04 -0.04 3.22 2.95 2b8hA1 PRO 432 HA -0.21 0.04 0.27 -0.51 4.44 4.03 2b8hA1 PRO 432 HB2 -0.14 0.03 0.02 -0.04 2.28 2.15 2b8hA1 PRO 432 HB3 -0.13 0.04 0.07 -0.04 2.02 1.95 2b8hA1 PRO 432 HG2 -0.18 0.02 0.01 -0.04 2.03 1.84 2b8hA1 PRO 432 HG3 -0.12 0.07 0.08 -0.04 2.03 2.02 2b8hA1 PRO 432 HD2 -0.22 0.07 0.19 -0.04 3.68 3.67 2b8hA1 PRO 432 HD3 -0.15 0.18 0.37 -0.04 3.65 4.02 2b8hA1 LYS 433 H -0.43 0.29 -0.01 -0.55 8.42 7.72 2b8hA1 LYS 433 HA -0.31 0.10 0.36 -0.75 4.32 3.72 2b8hA1 LYS 433 HB2 -1.21 0.09 0.04 -0.04 1.87 0.76 2b8hA1 LYS 433 HB3 -1.26 -0.04 0.03 -0.04 1.79 0.47 2b8hA1 LYS 433 HG2 -0.53 0.03 0.01 -0.04 1.46 0.92 2b8hA1 LYS 433 HG3 -1.23 -0.00 -0.00 -0.04 1.46 0.18 2b8hA1 LYS 433 HD2 -0.23 -0.02 0.04 -0.04 1.69 1.44 2b8hA1 LYS 433 HD3 -0.23 0.01 -0.12 -0.04 1.68 1.30 2b8hA1 LYS 433 HE2 0.03 -0.06 -0.03 -0.04 2.99 2.89 2b8hA1 LYS 433 HE3 0.03 0.00 -0.03 -0.04 2.99 2.95 2b8hA1 GLU 434 H -0.38 0.44 -0.48 -0.55 8.60 7.63 2b8hA1 GLU 434 HA -0.18 0.13 0.81 -0.75 4.29 4.30 2b8hA1 GLU 434 HB2 -0.36 0.02 0.24 -0.04 2.09 1.96 2b8hA1 GLU 434 HB3 -0.24 -0.09 0.14 -0.04 1.99 1.76 2b8hA1 GLU 434 HG2 0.06 0.02 0.02 -0.04 2.34 2.41 2b8hA1 GLU 434 HG3 -0.23 0.07 -0.29 -0.04 2.34 1.85 2b8hA1 ASP 435 H -0.23 0.24 -0.12 -0.55 8.40 7.75 2b8hA1 ASP 435 HA -0.39 0.26 0.52 -0.75 4.63 4.26 2b8hA1 ASP 435 HB2 -0.33 0.03 0.12 -0.04 2.71 2.50 2b8hA1 ASP 435 HB3 -0.25 0.13 -0.04 -0.04 2.70 2.50 2b8hA1 LYS 436 H -0.27 -0.01 -0.32 -0.55 8.42 7.27 2b8hA1 LYS 436 HA -0.30 0.14 0.63 -0.75 4.32 4.04 2b8hA1 LYS 436 HB2 -0.17 -0.07 -0.04 -0.04 1.87 1.55 2b8hA1 LYS 436 HB3 -0.13 0.02 -0.02 -0.04 1.79 1.62 2b8hA1 LYS 436 HG2 -0.11 0.04 0.00 -0.04 1.46 1.35 2b8hA1 LYS 436 HG3 -0.13 -0.04 -0.04 -0.04 1.46 1.20 2b8hA1 LYS 436 HD2 -0.07 -0.04 -0.04 -0.04 1.69 1.50 2b8hA1 LYS 436 HD3 -0.05 0.01 -0.05 -0.04 1.68 1.55 2b8hA1 LYS 436 HE2 -0.03 -0.02 -0.01 -0.04 2.99 2.88 2b8hA1 LYS 436 HE3 -0.03 0.01 -0.01 -0.04 2.99 2.92 2b8hA1 VAL 437 H -0.49 0.12 -0.15 -0.55 8.24 7.17 2b8hA1 VAL 437 HA -0.31 0.21 0.77 -0.75 4.13 4.05 2b8hA1 VAL 437 HB -1.26 -0.05 0.12 -0.04 2.12 0.90 2b8hA1 VAL 437 HG13 -0.26 0.01 -0.12 -0.04 0.97 0.55 2b8hA1 VAL 437 HG23 -1.44 0.04 0.04 -0.04 0.95 -0.46 2b8hA1 TRP 438 H 0.01 0.17 0.10 -0.55 7.97 7.71 2b8hA1 TRP 438 HA -0.13 0.22 0.71 -0.75 4.62 4.67 2b8hA1 TRP 438 HB2 0.04 0.04 0.06 -0.04 3.23 3.33 2b8hA1 TRP 438 HB3 0.01 -0.10 0.19 -0.04 3.23 3.29 2b8hA1 TRP 438 HD1 0.00 0.02 0.01 -0.04 7.22 7.21 2b8hA1 TRP 438 HE1 -0.01 -0.00 -0.01 -0.04 10.20 10.13 2b8hA1 TRP 438 HE3 -0.03 -0.06 0.06 -0.04 7.59 7.52 2b8hA1 TRP 438 HZ2 -0.02 -0.02 -0.01 -0.04 7.44 7.36 2b8hA1 TRP 438 HZ3 -0.02 -0.02 0.01 -0.04 7.13 7.06 2b8hA1 TRP 438 HH2 -0.02 -0.02 -0.00 -0.04 7.19 7.11 2b8hA1 TRP 439 H -0.49 0.02 -0.14 -0.55 7.97 6.81 2b8hA1 TRP 439 HA 0.03 0.19 0.96 -0.75 4.62 5.04 2b8hA1 TRP 439 HB2 -0.04 0.06 -0.02 -0.04 3.23 3.20 2b8hA1 TRP 439 HB3 0.03 0.09 -0.10 -0.04 3.23 3.20 2b8hA1 TRP 439 HD1 0.06 0.04 -0.03 -0.04 7.22 7.25 2b8hA1 TRP 439 HE1 -0.03 0.09 -0.02 -0.04 10.20 10.19 2b8hA1 TRP 439 HE3 -0.13 0.05 -0.54 -0.04 7.59 6.92 2b8hA1 TRP 439 HZ2 -1.62 0.02 -0.10 -0.04 7.44 5.70 2b8hA1 TRP 439 HZ3 -0.19 -0.01 -0.34 -0.04 7.13 6.56 2b8hA1 TRP 439 HH2 -0.50 -0.08 -0.18 -0.04 7.19 6.38 2b8hA1 THR 440 H 0.25 0.29 0.09 -0.55 8.28 8.36 2b8hA1 THR 440 HA 0.15 0.18 0.80 -0.75 4.39 4.77 2b8hA1 THR 440 HB 0.03 0.15 -0.15 -0.04 4.32 4.31 2b8hA1 THR 440 HG23 -0.02 0.02 -0.05 -0.04 1.22 1.13 2b8hA1 SER 441 H 0.33 0.56 0.30 -0.55 8.46 9.10 2b8hA1 SER 441 HA 0.03 0.48 0.71 -0.75 4.49 4.95 2b8hA1 SER 441 HB2 -0.20 0.00 -0.08 -0.04 3.95 3.63 2b8hA1 SER 441 HB3 -0.16 -0.07 0.04 -0.04 3.93 3.69 2b8hA1 ASN 442 H -0.01 0.23 0.21 -0.55 8.53 8.41 2b8hA1 ASN 442 HA 0.07 0.22 0.62 -0.75 4.76 4.91 2b8hA1 ASN 442 HB2 0.06 -0.01 -0.10 -0.04 2.88 2.79 2b8hA1 ASN 442 HB3 0.03 0.08 -0.26 -0.04 2.79 2.59 2b8hA1 ASN 442 HD21 0.05 -0.02 -0.29 -0.04 7.03 6.73 2b8hA1 ASN 442 HD22 0.04 0.27 -0.29 -0.04 7.74 7.72 2b8hA1 SER 443 H 0.08 0.50 0.29 -0.55 8.46 8.79 2b8hA1 SER 443 HA 0.06 0.20 0.63 -0.75 4.49 4.62 2b8hA1 SER 443 HB2 0.09 -0.23 0.30 -0.04 3.95 4.07 2b8hA1 SER 443 HB3 0.07 -0.18 0.13 -0.04 3.93 3.91 2b8hA1 ILE 444 H 0.06 0.01 0.24 -0.55 8.25 8.01 2b8hA1 ILE 444 HA -0.03 0.39 1.10 -0.75 4.18 4.88 2b8hA1 ILE 444 HB -0.41 -0.14 0.01 -0.04 1.89 1.31 2b8hA1 ILE 444 HG12 -0.12 0.12 -0.29 -0.04 1.49 1.16 2b8hA1 ILE 444 HG13 0.00 -0.14 -0.23 -0.04 1.21 0.80 2b8hA1 ILE 444 HG23 -0.60 0.02 -0.24 -0.04 0.93 0.08 2b8hA1 ILE 444 HD13 -0.51 0.03 -0.10 -0.04 0.88 0.26 2b8hA1 VAL 445 H -0.01 0.67 0.35 -0.55 8.24 8.70 2b8hA1 VAL 445 HA -0.05 0.19 0.81 -0.75 4.13 4.33 2b8hA1 VAL 445 HB 0.05 -0.00 0.03 -0.04 2.12 2.15 2b8hA1 VAL 445 HG13 0.02 0.03 -0.06 -0.04 0.97 0.92 2b8hA1 VAL 445 HG23 -0.27 0.01 0.05 -0.04 0.95 0.69 2b8hA1 SER 446 H -0.15 0.57 0.41 -0.55 8.46 8.75 2b8hA1 SER 446 HA -0.20 0.26 1.13 -0.75 4.49 4.93 2b8hA1 SER 446 HB2 0.11 -0.05 -0.27 -0.04 3.95 3.70 2b8hA1 SER 446 HB3 0.29 -0.21 0.03 -0.04 3.93 3.99 2b8hA1 MET 447 H -0.69 0.65 0.39 -0.55 8.47 8.26 2b8hA1 MET 447 HA -0.22 0.11 1.09 -0.75 4.52 4.76 2b8hA1 MET 447 HB2 -0.56 -0.04 -0.17 -0.04 2.15 1.34 2b8hA1 MET 447 HB3 -0.10 0.12 -0.10 -0.04 2.03 1.91 2b8hA1 MET 447 HG2 -0.64 -0.15 -0.40 -0.04 2.63 1.40 2b8hA1 MET 447 HG3 -0.34 0.02 -0.22 -0.04 2.56 1.98 2b8hA1 MET 447 HE3 0.26 -0.01 -0.39 -0.04 2.10 1.91 2b8hA1 CYS 448 H -0.48 0.58 0.28 -0.55 8.50 8.33 2b8hA1 CYS 448 HA -0.17 0.27 1.09 -0.75 4.58 5.01 2b8hA1 CYS 448 HB2 -0.44 -0.01 -0.00 -0.04 2.97 2.48 2b8hA1 CYS 448 HB3 -0.24 0.03 0.05 -0.04 2.97 2.77 2b8hA1 SER 449 H -0.33 0.48 0.23 -0.55 8.46 8.30 2b8hA1 SER 449 HA -0.97 0.20 0.75 -0.75 4.49 3.72 2b8hA1 SER 449 HB2 -1.01 0.04 0.11 -0.04 3.95 3.05 2b8hA1 SER 449 HB3 -1.24 0.01 0.11 -0.04 3.93 2.77 2b8hA1 SER 450 H -0.53 0.66 0.27 -0.55 8.46 8.32 2b8hA1 SER 450 HA -0.10 0.14 0.81 -0.75 4.49 4.59 2b8hA1 SER 450 HB2 0.06 0.05 -0.13 -0.04 3.95 3.88 2b8hA1 SER 450 HB3 -0.15 0.06 -0.13 -0.04 3.93 3.66 2b8hA1 THR 451 H -0.13 0.11 0.13 -0.55 8.28 7.84 2b8hA1 THR 451 HA -0.23 0.21 0.71 -0.75 4.39 4.33 2b8hA1 THR 451 HB -0.09 0.00 0.11 -0.04 4.32 4.31 2b8hA1 THR 451 HG23 -0.11 0.01 0.04 -0.04 1.22 1.13 2b8hA1 GLU 452 H -0.12 -0.05 -0.12 -0.55 8.60 7.76 2b8hA1 GLU 452 HA -0.02 0.17 0.68 -0.75 4.29 4.37 2b8hA1 GLU 452 HB2 -0.02 -0.02 -0.16 -0.04 2.09 1.85 2b8hA1 GLU 452 HB3 0.04 0.02 -0.03 -0.04 1.99 1.98 2b8hA1 GLU 452 HG2 -0.04 -0.12 -0.01 -0.04 2.34 2.13 2b8hA1 GLU 452 HG3 -0.01 0.04 -0.03 -0.04 2.34 2.29 2b8hA1 PHE 453 H 0.23 0.16 0.01 -0.55 8.34 8.18 2b8hA1 PHE 453 HA 0.04 0.28 0.64 -0.75 4.62 4.83 2b8hA1 PHE 453 HB2 0.03 -0.07 0.18 -0.04 3.15 3.25 2b8hA1 PHE 453 HB3 0.06 0.05 0.05 -0.04 3.06 3.18 2b8hA1 PHE 453 HD2 0.06 -0.01 0.03 -0.04 7.28 7.32 2b8hA1 PHE 453 HE2 0.06 -0.01 0.01 -0.04 7.38 7.40 2b8hA1 PHE 453 HZ 0.04 -0.03 -0.01 -0.04 7.32 7.28 2b8hA1 LEU 454 H 0.05 0.20 -0.13 -0.55 8.37 7.94 2b8hA1 LEU 454 HA 0.10 0.02 0.54 -0.75 4.35 4.26 2b8hA1 LEU 454 HB2 0.11 0.06 -0.03 -0.04 1.64 1.73 2b8hA1 LEU 454 HB3 0.11 0.10 0.02 -0.04 1.64 1.83 2b8hA1 LEU 454 HG 0.02 -0.08 -0.31 -0.04 1.64 1.22 2b8hA1 LEU 454 HD13 0.09 0.00 -0.16 -0.04 0.93 0.83 2b8hA1 LEU 454 HD23 0.04 -0.00 -0.13 -0.04 0.89 0.76 2b8hA1 GLY 455 H 0.09 0.06 0.17 -0.55 8.43 8.20 2b8hA1 GLY 455 HA2 0.10 0.03 0.60 -0.51 4.01 4.23 2b8hA1 GLY 455 HA3 0.06 0.01 0.32 -0.51 4.01 3.90 2b8hA1 GLN 456 H 0.13 0.10 0.23 -0.55 8.47 8.39 2b8hA1 GLN 456 HA 0.28 0.17 0.92 -0.75 4.36 4.97 2b8hA1 GLN 456 HB2 0.25 0.23 0.17 -0.04 2.15 2.76 2b8hA1 GLN 456 HB3 0.23 0.03 0.15 -0.04 2.02 2.38 2b8hA1 GLN 456 HG2 0.14 -0.06 0.18 -0.04 2.40 2.61 2b8hA1 GLN 456 HG3 0.16 0.00 -0.05 -0.04 2.39 2.46 2b8hA1 GLN 456 HE21 0.11 -0.02 0.01 -0.04 6.97 7.03 2b8hA1 GLN 456 HE22 0.10 -0.01 0.02 -0.04 7.69 7.77 2b8hA1 TRP 457 H 0.46 0.14 0.14 -0.55 7.97 8.17 2b8hA1 TRP 457 HA -0.07 0.16 0.70 -0.75 4.62 4.65 2b8hA1 TRP 457 HB2 -0.09 -0.03 0.04 -0.04 3.23 3.11 2b8hA1 TRP 457 HB3 -0.78 0.08 0.04 -0.04 3.23 2.53 2b8hA1 TRP 457 HD1 -0.15 0.02 0.13 -0.04 7.22 7.17 2b8hA1 TRP 457 HE1 -0.14 -0.03 0.05 -0.04 10.20 10.03 2b8hA1 TRP 457 HE3 -0.78 -0.02 0.01 -0.04 7.59 6.76 2b8hA1 TRP 457 HZ2 -0.12 -0.03 0.02 -0.04 7.44 7.28 2b8hA1 TRP 457 HZ3 -0.12 -0.01 0.01 -0.04 7.13 6.96 2b8hA1 TRP 457 HH2 -0.09 -0.02 0.01 -0.04 7.19 7.06 2b8hA1 ASN 458 H -0.63 0.24 0.20 -0.55 8.53 7.79 2b8hA1 ASN 458 HA 0.04 0.37 0.43 -0.75 4.76 4.84 2b8hA1 ASN 458 HB2 -0.03 -0.19 -0.05 -0.04 2.88 2.57 2b8hA1 ASN 458 HB3 0.01 0.05 -0.18 -0.04 2.79 2.62 2b8hA1 ASN 458 HD21 -0.12 0.02 -0.01 -0.04 7.03 6.87 2b8hA1 ASN 458 HD22 0.03 0.01 -0.08 -0.04 7.74 7.66 2b8hA1 TRP 459 H 0.11 0.37 0.16 -0.55 7.97 8.06 2b8hA1 TRP 459 HA -0.24 0.16 0.85 -0.75 4.62 4.64 2b8hA1 TRP 459 HB2 0.01 0.04 0.11 -0.04 3.23 3.35 2b8hA1 TRP 459 HB3 -0.02 -0.01 0.07 -0.04 3.23 3.22 2b8hA1 TRP 459 HD1 0.10 0.16 -0.15 -0.04 7.22 7.29 2b8hA1 TRP 459 HE1 0.25 -0.03 -0.13 -0.04 10.20 10.25 2b8hA1 TRP 459 HE3 -0.07 0.04 0.00 -0.04 7.59 7.52 2b8hA1 TRP 459 HZ2 0.39 -0.03 -0.02 -0.04 7.44 7.74 2b8hA1 TRP 459 HZ3 0.09 0.01 -0.02 -0.04 7.13 7.17 2b8hA1 TRP 459 HH2 0.37 -0.00 -0.02 -0.04 7.19 7.49 2b8hA1 PRO 460 HA 0.06 0.14 0.70 -0.51 4.44 4.83 2b8hA1 PRO 460 HB2 -0.01 -0.09 -0.07 -0.04 2.28 2.07 2b8hA1 PRO 460 HB3 -0.03 0.01 0.10 -0.04 2.02 2.05 2b8hA1 PRO 460 HG2 -0.13 0.07 -0.02 -0.04 2.03 1.91 2b8hA1 PRO 460 HG3 -0.14 0.02 -0.00 -0.04 2.03 1.87 2b8hA1 PRO 460 HD2 -0.31 0.18 0.14 -0.04 3.68 3.64 2b8hA1 PRO 460 HD3 -0.29 0.08 -0.25 -0.04 3.65 3.14 2b8hA1 ASP 461 H 0.09 0.16 0.14 -0.55 8.40 8.25 2b8hA1 ASP 461 HA 0.11 0.06 0.44 -0.75 4.63 4.48 2b8hA1 ASP 461 HB2 0.13 0.14 0.10 -0.04 2.71 3.04 2b8hA1 ASP 461 HB3 0.13 -0.02 0.17 -0.04 2.70 2.94 2b8hA1 GLY 462 H 0.07 0.09 -0.05 -0.55 8.43 7.99 2b8hA1 GLY 462 HA2 0.03 0.03 0.21 -0.51 4.01 3.76 2b8hA1 GLY 462 HA3 0.06 0.23 0.55 -0.51 4.01 4.34 2b8hA1 ALA 463 H 0.12 -0.03 -0.26 -0.55 8.40 7.69 2b8hA1 ALA 463 HA 0.16 0.23 0.69 -0.75 4.34 4.67 2b8hA1 ALA 463 HB3 0.27 -0.01 -0.22 -0.04 1.41 1.41 2b8hA1 LYS 464 H 0.15 0.26 0.09 -0.55 8.42 8.37 2b8hA1 LYS 464 HA -0.02 0.16 0.88 -0.75 4.32 4.59 2b8hA1 LYS 464 HB2 -0.81 0.03 0.18 -0.04 1.87 1.23 2b8hA1 LYS 464 HB3 -0.45 -0.07 0.02 -0.04 1.79 1.25 2b8hA1 LYS 464 HG2 -0.14 0.05 -0.12 -0.04 1.46 1.21 2b8hA1 LYS 464 HG3 -0.16 0.07 -0.05 -0.04 1.46 1.28 2b8hA1 LYS 464 HD2 -0.70 0.04 -0.00 -0.04 1.69 0.98 2b8hA1 LYS 464 HD3 -0.54 -0.05 -0.01 -0.04 1.68 1.04 2b8hA1 LYS 464 HE2 -0.10 0.00 -0.02 -0.04 2.99 2.84 2b8hA1 LYS 464 HE3 -0.10 0.00 -0.03 -0.04 2.99 2.82 2b8hA1 ILE 465 H 0.06 0.23 0.11 -0.55 8.25 8.10 2b8hA1 ILE 465 HA 0.28 0.11 0.26 -0.75 4.18 4.08 2b8hA1 ILE 465 HB 0.02 -0.00 0.10 -0.04 1.89 1.97 2b8hA1 ILE 465 HG12 0.06 -0.01 0.00 -0.04 1.49 1.50 2b8hA1 ILE 465 HG13 -0.05 0.03 0.05 -0.04 1.21 1.20 2b8hA1 ILE 465 HG23 -0.08 0.01 -0.18 -0.04 0.93 0.64 2b8hA1 ILE 465 HD13 -0.25 -0.00 -0.02 -0.04 0.88 0.57 2b8hA1 GLU 466 H -0.01 0.07 -0.19 -0.55 8.60 7.92 2b8hA1 GLU 466 HA 0.07 0.08 0.36 -0.75 4.29 4.04 2b8hA1 GLU 466 HB2 0.05 0.07 -0.01 -0.04 2.09 2.17 2b8hA1 GLU 466 HB3 0.00 0.00 0.07 -0.04 1.99 2.02 2b8hA1 GLU 466 HG2 -0.14 -0.11 -0.00 -0.04 2.34 2.04 2b8hA1 GLU 466 HG3 -0.26 0.03 -0.10 -0.04 2.34 1.98 2b8hA1 TYR 467 H 0.09 0.23 -0.41 -0.55 8.29 7.66 2b8hA1 TYR 467 HA 0.00 0.07 0.37 -0.75 4.56 4.24 2b8hA1 TYR 467 HB2 0.00 0.17 0.14 -0.04 3.06 3.33 2b8hA1 TYR 467 HB3 -0.16 0.04 0.07 -0.04 2.98 2.89 2b8hA1 TYR 467 HD2 0.01 0.01 -0.03 -0.04 7.15 7.10 2b8hA1 TYR 467 HE2 0.02 0.01 -0.00 -0.04 6.85 6.83 2b8hA1 PHE 468 H 0.44 0.35 -0.40 -0.55 8.34 8.18 2b8hA1 PHE 468 HA 0.19 0.17 0.57 -0.75 4.62 4.79 2b8hA1 PHE 468 HB2 0.25 0.07 0.05 -0.04 3.15 3.48 2b8hA1 PHE 468 HB3 0.41 -0.04 0.09 -0.04 3.06 3.49 2b8hA1 PHE 468 HD2 0.28 0.04 -0.05 -0.04 7.28 7.50 2b8hA1 PHE 468 HE2 0.05 -0.06 -0.18 -0.04 7.38 7.15 2b8hA1 PHE 468 HZ 0.02 0.20 -0.10 -0.04 7.32 7.40 2b8hA1 LEU 469 H 0.19 0.33 -0.44 -0.55 8.37 7.91 2b8hA1 LEU 469 HA 0.13 0.14 0.38 -0.75 4.35 4.26 2b8hA1 LEU 469 HB2 0.09 0.12 0.11 -0.04 1.64 1.92 2b8hA1 LEU 469 HB3 0.06 -0.02 0.06 -0.04 1.64 1.69 2b8hA1 LEU 469 HG 0.10 0.05 0.01 -0.04 1.64 1.76 2b8hA1 LEU 469 HD13 0.01 -0.03 -0.04 -0.04 0.93 0.83 2b8hA1 LEU 469 HD23 0.01 -0.01 -0.27 -0.04 0.89 0.58