============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. TYR 4 0.840 28.972 40.836 26.765 -99.200 -91.000 TRP 20 1.040 28.232 24.319 23.980 -99.200 -91.000 TRP6 20 1.020 30.339 24.630 24.979 -99.200 -91.000 HIS 26 0.900 26.813 29.323 14.922 -99.200 -91.000 HIS 38 0.900 27.426 25.631 43.315 -99.200 -91.000 HIS 39 0.900 21.559 21.860 44.893 -99.200 -91.000 HIS 43 0.900 17.862 34.043 44.283 -99.200 -91.000 TYR 44 0.840 13.756 27.314 46.762 -99.200 -91.000 TYR 68 0.840 15.307 1.518 45.110 -99.200 -91.000 PHE 78 1.000 8.771 -12.231 41.598 -99.200 -91.000 TRP 80 1.040 14.534 -12.125 46.393 -99.200 -91.000 TRP6 80 1.020 16.868 -12.217 46.815 -99.200 -91.000 TRP 91 1.040 12.760 14.146 53.264 -99.200 -91.000 TRP6 91 1.020 11.395 13.809 51.366 -99.200 -91.000 TYR 109 0.840 24.948 22.611 33.360 -99.200 -91.000 PHE 113 1.000 28.943 29.555 31.988 -99.200 -91.000 PHE 121 1.000 26.545 32.297 36.120 -99.200 -91.000 HIS 122 0.900 28.507 38.631 32.253 -99.200 -91.000 PHE 125 1.000 17.095 38.608 41.206 -99.200 -91.000 HIS 132 0.900 20.395 46.649 20.016 -99.200 -91.000 TYR 154 0.840 20.823 39.171 16.734 -99.200 -91.000 TRP 162 1.040 8.396 31.525 41.094 -99.200 -91.000 TRP6 162 1.020 10.588 30.717 41.456 -99.200 -91.000 HIS 165 0.900 2.655 30.792 45.794 -99.200 -91.000 PHE 181 1.000 12.374 18.942 43.564 -99.200 -91.000 TYR 182 0.840 16.458 22.472 48.064 -99.200 -91.000 TYR 197 0.840 4.958 17.699 34.915 -99.200 -91.000 PHE 202 1.000 7.774 16.913 44.734 -99.200 -91.000 PHE 206 1.000 5.885 15.364 49.646 -99.200 -91.000 TYR 209 0.840 11.714 8.208 50.499 -99.200 -91.000 TYR 220 0.840 -7.824 18.765 39.050 -99.200 -91.000 PHE 229 1.000 -0.943 13.498 30.499 -99.200 -91.000 HIS 251 0.900 -16.211 17.351 41.172 -99.200 -91.000 HIS 266 0.900 -8.217 22.594 60.779 -99.200 -91.000 PHE 269 1.000 -9.393 19.883 51.708 -99.200 -91.000 TYR 277 0.840 -4.001 17.561 54.822 -99.200 -91.000 TYR 313 0.840 11.159 30.729 11.462 -99.200 -91.000 TYR 322 0.840 15.020 35.706 17.342 -99.200 -91.000 PHE 344 1.000 18.471 32.901 19.526 -99.200 -91.000 PHE 349 1.000 24.172 34.702 16.936 -99.200 -91.000 HIS 358 0.900 7.259 24.481 19.753 -99.200 -91.000 PHE 366 1.000 9.817 10.106 34.307 -99.200 -91.000 TYR 376 0.840 -4.121 15.149 16.745 -99.200 -91.000 TYR 385 0.840 -6.987 13.647 11.886 -99.200 -91.000 TYR 391 0.840 -6.390 0.012 16.036 -99.200 -91.000 PHE 395 1.000 0.098 -6.346 29.351 -99.200 -91.000 HIS 400 0.900 3.500 -6.014 38.929 -99.200 -91.000 TYR 407 0.840 -1.483 -1.845 43.023 -99.200 -91.000 PHE 410 1.000 2.674 -1.325 29.474 -99.200 -91.000 HIS 418 0.900 -10.779 2.472 10.334 -99.200 -91.000 HIS 427 0.900 -2.687 8.878 24.145 -99.200 -91.000 PHE 453 1.000 2.895 1.877 16.282 -99.200 -91.000 TYR 454 0.840 -1.615 -4.378 11.736 -99.200 -91.000 HIS 460 0.900 6.448 -13.651 24.600 -99.200 -91.000 TYR 475 0.840 -13.718 3.472 21.652 -99.200 -91.000 PHE 476 1.000 -13.735 1.478 13.893 -99.200 -91.000 TYR 477 0.840 -14.388 8.644 19.389 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1feaD1 SER 1 HA -0.02 -0.06 0.09 -0.75 4.49 3.74 1feaD1 SER 1 HB2 -0.01 0.02 0.12 -0.04 3.95 4.04 1feaD1 SER 1 HB3 -0.01 -0.05 0.05 -0.04 3.93 3.88 1feaD1 ARG 2 H -0.02 0.12 -0.06 -0.55 8.46 7.95 1feaD1 ARG 2 HA 0.00 -0.12 0.28 -0.75 4.34 3.75 1feaD1 ARG 2 HB2 -0.02 0.11 0.00 -0.04 1.90 1.95 1feaD1 ARG 2 HB3 0.04 0.03 0.21 -0.04 1.80 2.03 1feaD1 ARG 2 HG2 0.03 0.02 -0.26 -0.04 1.67 1.42 1feaD1 ARG 2 HG3 0.08 -0.06 -0.36 -0.04 1.67 1.29 1feaD1 ARG 2 HD2 -0.01 0.05 -0.14 -0.04 3.22 3.08 1feaD1 ARG 2 HD3 -0.03 -0.09 -0.06 -0.04 3.22 3.01 1feaD1 ALA 3 H 0.02 0.03 0.09 -0.55 8.40 7.99 1feaD1 ALA 3 HA -0.12 0.05 0.43 -0.75 4.34 3.94 1feaD1 ALA 3 HB3 -0.04 0.00 0.19 -0.04 1.41 1.52 1feaD1 TYR 4 H 0.15 0.30 -0.07 -0.55 8.29 8.12 1feaD1 TYR 4 HA 0.04 0.19 1.05 -0.75 4.56 5.08 1feaD1 TYR 4 HB2 0.03 0.01 -0.12 -0.04 3.06 2.94 1feaD1 TYR 4 HB3 0.05 0.08 -0.09 -0.04 2.98 2.97 1feaD1 TYR 4 HD2 0.02 0.04 -0.25 -0.04 7.15 6.92 1feaD1 TYR 4 HE2 0.05 -0.01 -0.13 -0.04 6.85 6.71 1feaD1 ASP 5 H 0.14 0.35 0.34 -0.55 8.40 8.68 1feaD1 ASP 5 HA 0.23 0.07 0.72 -0.75 4.63 4.90 1feaD1 ASP 5 HB2 0.01 -0.02 0.16 -0.04 2.71 2.83 1feaD1 ASP 5 HB3 0.23 0.03 0.11 -0.04 2.70 3.02 1feaD1 LEU 6 H 0.19 0.43 0.21 -0.55 8.37 8.65 1feaD1 LEU 6 HA 0.30 0.51 0.92 -0.75 4.35 5.31 1feaD1 LEU 6 HB2 0.34 0.04 -0.28 -0.04 1.64 1.71 1feaD1 LEU 6 HB3 0.13 -0.04 -0.08 -0.04 1.64 1.60 1feaD1 LEU 6 HG 0.18 -0.05 -0.41 -0.04 1.64 1.32 1feaD1 LEU 6 HD13 0.42 0.03 -0.29 -0.04 0.93 1.04 1feaD1 LEU 6 HD23 0.31 -0.02 -0.24 -0.04 0.89 0.90 1feaD1 VAL 7 H 0.13 0.42 0.21 -0.55 8.24 8.45 1feaD1 VAL 7 HA -0.08 0.25 0.93 -0.75 4.13 4.48 1feaD1 VAL 7 HB -0.03 -0.05 0.02 -0.04 2.12 2.02 1feaD1 VAL 7 HG13 -0.17 -0.02 -0.24 -0.04 0.97 0.50 1feaD1 VAL 7 HG23 -0.15 0.02 -0.32 -0.04 0.95 0.45 1feaD1 VAL 8 H -0.00 0.79 0.29 -0.55 8.24 8.76 1feaD1 VAL 8 HA 0.00 0.40 1.08 -0.75 4.13 4.85 1feaD1 VAL 8 HB 0.05 -0.12 0.09 -0.04 2.12 2.09 1feaD1 VAL 8 HG13 0.00 -0.02 -0.07 -0.04 0.97 0.84 1feaD1 VAL 8 HG23 0.08 0.04 -0.16 -0.04 0.95 0.87 1feaD1 ILE 9 H -0.03 0.53 0.17 -0.55 8.25 8.37 1feaD1 ILE 9 HA -0.06 0.11 0.72 -0.75 4.18 4.20 1feaD1 ILE 9 HB -0.03 -0.12 0.21 -0.04 1.89 1.91 1feaD1 ILE 9 HG12 -0.06 0.03 -0.16 -0.04 1.49 1.26 1feaD1 ILE 9 HG13 -0.04 0.04 -0.25 -0.04 1.21 0.91 1feaD1 ILE 9 HG23 -0.06 -0.00 -0.06 -0.04 0.93 0.77 1feaD1 ILE 9 HD13 -0.03 0.01 -0.18 -0.04 0.88 0.64 1feaD1 GLY 10 H -0.03 0.64 0.05 -0.55 8.43 8.56 1feaD1 GLY 10 HA2 -0.02 -0.08 0.43 -0.51 4.01 3.83 1feaD1 GLY 10 HA3 -0.01 0.55 1.07 -0.51 4.01 5.11 1feaD1 ALA 11 H 0.03 0.20 0.09 -0.55 8.40 8.18 1feaD1 ALA 11 HA 0.07 0.19 0.56 -0.75 4.34 4.41 1feaD1 ALA 11 HB3 0.15 0.03 0.03 -0.04 1.41 1.58 1feaD1 GLY 12 H 0.02 0.27 -0.68 -0.55 8.43 7.49 1feaD1 GLY 12 HA2 -0.01 0.21 0.09 -0.51 4.01 3.79 1feaD1 GLY 12 HA3 0.02 -0.11 0.29 -0.51 4.01 3.70 1feaD1 SER 13 H 0.03 -0.03 0.16 -0.55 8.46 8.07 1feaD1 SER 13 HA 0.01 0.24 0.40 -0.75 4.49 4.39 1feaD1 SER 13 HB2 0.04 -0.16 0.15 -0.04 3.95 3.94 1feaD1 SER 13 HB3 0.04 0.19 0.07 -0.04 3.93 4.19 1feaD1 GLY 14 H 0.03 -0.05 -0.10 -0.55 8.43 7.77 1feaD1 GLY 14 HA2 0.05 0.26 0.53 -0.51 4.01 4.34 1feaD1 GLY 14 HA3 0.03 0.04 0.22 -0.51 4.01 3.79 1feaD1 GLY 15 H 0.02 -0.05 -0.15 -0.55 8.43 7.71 1feaD1 GLY 15 HA2 0.02 0.06 0.17 -0.51 4.01 3.75 1feaD1 GLY 15 HA3 0.02 0.37 0.31 -0.51 4.01 4.20 1feaD1 LEU 16 H 0.01 0.54 -0.23 -0.55 8.37 8.14 1feaD1 LEU 16 HA 0.05 0.07 0.47 -0.75 4.35 4.18 1feaD1 LEU 16 HB2 -0.10 0.30 -0.04 -0.04 1.64 1.76 1feaD1 LEU 16 HB3 -0.09 0.02 -0.17 -0.04 1.64 1.36 1feaD1 LEU 16 HG -0.24 0.04 -0.03 -0.04 1.64 1.36 1feaD1 LEU 16 HD13 0.03 -0.02 -0.02 -0.04 0.93 0.87 1feaD1 LEU 16 HD23 -0.70 0.03 -0.03 -0.04 0.89 0.15 1feaD1 GLU 17 H 0.05 0.18 -0.45 -0.55 8.60 7.84 1feaD1 GLU 17 HA 0.14 0.07 0.48 -0.75 4.29 4.23 1feaD1 GLU 17 HB2 0.06 0.05 0.15 -0.04 2.09 2.31 1feaD1 GLU 17 HB3 0.08 0.06 0.22 -0.04 1.99 2.31 1feaD1 GLU 17 HG2 0.08 -0.01 0.04 -0.04 2.34 2.40 1feaD1 GLU 17 HG3 0.12 0.01 -0.29 -0.04 2.34 2.14 1feaD1 ALA 18 H 0.11 0.57 -0.01 -0.55 8.40 8.52 1feaD1 ALA 18 HA 0.22 0.20 0.33 -0.75 4.34 4.33 1feaD1 ALA 18 HB3 0.18 -0.04 0.04 -0.04 1.41 1.56 1feaD1 GLY 19 H 0.12 0.72 -0.20 -0.55 8.43 8.53 1feaD1 GLY 19 HA2 0.12 -0.02 0.16 -0.51 4.01 3.76 1feaD1 GLY 19 HA3 0.13 0.04 0.24 -0.51 4.01 3.92 1feaD1 TRP 20 H 0.28 0.52 -0.24 -0.55 7.97 7.98 1feaD1 TRP 20 HA -0.06 0.06 0.33 -0.75 4.62 4.20 1feaD1 TRP 20 HB2 -0.08 -0.02 0.09 -0.04 3.23 3.18 1feaD1 TRP 20 HB3 -0.02 0.10 0.14 -0.04 3.23 3.41 1feaD1 TRP 20 HD1 -0.01 -0.01 -0.15 -0.04 7.22 7.01 1feaD1 TRP 20 HE1 -0.03 -0.01 -0.05 -0.04 10.20 10.07 1feaD1 TRP 20 HE3 -0.15 -0.02 -0.04 -0.04 7.59 7.34 1feaD1 TRP 20 HZ2 -0.03 -0.00 -0.01 -0.04 7.44 7.35 1feaD1 TRP 20 HZ3 -0.10 0.22 -0.04 -0.04 7.13 7.18 1feaD1 TRP 20 HH2 -0.04 0.07 -0.02 -0.04 7.19 7.16 1feaD1 ASN 21 H 0.15 0.53 -0.17 -0.55 8.53 8.49 1feaD1 ASN 21 HA -0.27 0.01 0.64 -0.75 4.76 4.38 1feaD1 ASN 21 HB2 0.11 0.08 0.08 -0.04 2.88 3.11 1feaD1 ASN 21 HB3 0.05 -0.03 -0.01 -0.04 2.79 2.76 1feaD1 ASN 21 HD21 0.14 -0.10 -0.03 -0.04 7.03 7.00 1feaD1 ASN 21 HD22 0.12 0.00 0.02 -0.04 7.74 7.84 1feaD1 ALA 22 H 0.02 0.58 -0.07 -0.55 8.40 8.39 1feaD1 ALA 22 HA 0.03 0.04 0.39 -0.75 4.34 4.04 1feaD1 ALA 22 HB3 -0.20 0.02 -0.03 -0.04 1.41 1.15 1feaD1 ALA 23 H -0.17 0.30 -0.40 -0.55 8.40 7.58 1feaD1 ALA 23 HA -0.18 0.13 0.55 -0.75 4.34 4.08 1feaD1 ALA 23 HB3 -0.14 0.02 -0.12 -0.04 1.41 1.12 1feaD1 SER 24 H -0.64 0.54 0.03 -0.55 8.46 7.84 1feaD1 SER 24 HA -0.47 0.14 0.70 -0.75 4.49 4.10 1feaD1 SER 24 HB2 -1.57 0.31 0.28 -0.04 3.95 2.93 1feaD1 SER 24 HB3 -0.63 -0.05 0.01 -0.04 3.93 3.21 1feaD1 LEU 25 H -0.41 0.27 0.16 -0.55 8.37 7.85 1feaD1 LEU 25 HA -0.31 0.07 0.49 -0.75 4.35 3.84 1feaD1 LEU 25 HB2 -0.31 0.03 0.21 -0.04 1.64 1.54 1feaD1 LEU 25 HB3 -0.79 0.01 -0.03 -0.04 1.64 0.79 1feaD1 LEU 25 HG -0.21 0.02 0.06 -0.04 1.64 1.47 1feaD1 LEU 25 HD13 -0.13 -0.01 -0.04 -0.04 0.93 0.71 1feaD1 LEU 25 HD23 -0.06 -0.02 -0.00 -0.04 0.89 0.76 1feaD1 HIS 26 H -0.26 0.09 -0.51 -0.55 8.41 7.18 1feaD1 HIS 26 HA -0.09 0.23 1.00 -0.75 4.63 5.02 1feaD1 HIS 26 HB2 -0.24 0.20 0.14 -0.04 3.26 3.33 1feaD1 HIS 26 HB3 -0.10 -0.01 0.16 -0.04 3.20 3.20 1feaD1 HIS 26 HD2 -0.01 0.05 -0.03 -0.04 6.97 6.93 1feaD1 HIS 26 HE1 -0.01 -0.11 -0.25 -0.04 7.75 7.33 1feaD1 LYS 27 H -0.17 0.17 -0.33 -0.55 8.42 7.54 1feaD1 LYS 27 HA -0.11 0.23 0.40 -0.75 4.32 4.08 1feaD1 LYS 27 HB2 -0.04 0.19 -0.05 -0.04 1.87 1.93 1feaD1 LYS 27 HB3 -0.05 -0.09 0.19 -0.04 1.79 1.80 1feaD1 LYS 27 HG2 -0.09 -0.00 -0.33 -0.04 1.46 1.00 1feaD1 LYS 27 HG3 -0.05 -0.08 -0.08 -0.04 1.46 1.21 1feaD1 LYS 27 HD2 -0.12 0.19 0.10 -0.04 1.69 1.82 1feaD1 LYS 27 HD3 -0.08 -0.07 0.02 -0.04 1.68 1.51 1feaD1 LYS 27 HE2 -0.05 -0.07 0.04 -0.04 2.99 2.87 1feaD1 LYS 27 HE3 -0.06 0.07 0.09 -0.04 2.99 3.04 1feaD1 LYS 28 H -0.17 0.31 -0.26 -0.55 8.42 7.75 1feaD1 LYS 28 HA -0.11 0.07 0.47 -0.75 4.32 4.00 1feaD1 LYS 28 HB2 -0.39 0.09 -0.28 -0.04 1.87 1.25 1feaD1 LYS 28 HB3 -0.28 -0.12 -0.15 -0.04 1.79 1.19 1feaD1 LYS 28 HG2 -1.57 -0.07 -0.05 -0.04 1.46 -0.28 1feaD1 LYS 28 HG3 -0.31 -0.05 0.02 -0.04 1.46 1.08 1feaD1 LYS 28 HD2 -0.14 0.01 -0.33 -0.04 1.69 1.20 1feaD1 LYS 28 HD3 -0.25 0.01 -0.05 -0.04 1.68 1.35 1feaD1 LYS 28 HE2 0.04 0.11 0.07 -0.04 2.99 3.17 1feaD1 LYS 28 HE3 0.16 -0.07 0.04 -0.04 2.99 3.08 1feaD1 ARG 29 H -0.02 0.07 0.16 -0.55 8.46 8.12 1feaD1 ARG 29 HA 0.03 0.15 0.83 -0.75 4.34 4.59 1feaD1 ARG 29 HB2 -0.00 -0.21 0.37 -0.04 1.90 2.01 1feaD1 ARG 29 HB3 -0.07 0.06 0.21 -0.04 1.80 1.95 1feaD1 ARG 29 HG2 -0.05 -0.01 0.07 -0.04 1.67 1.64 1feaD1 ARG 29 HG3 -0.03 0.03 0.03 -0.04 1.67 1.66 1feaD1 ARG 29 HD2 -0.13 0.11 0.09 -0.04 3.22 3.25 1feaD1 ARG 29 HD3 -0.06 -0.03 0.03 -0.04 3.22 3.12 1feaD1 VAL 30 H 0.11 0.93 0.28 -0.55 8.24 9.00 1feaD1 VAL 30 HA 0.16 0.20 1.16 -0.75 4.13 4.90 1feaD1 VAL 30 HB 0.10 0.00 0.02 -0.04 2.12 2.20 1feaD1 VAL 30 HG13 0.10 -0.04 -0.25 -0.04 0.97 0.73 1feaD1 VAL 30 HG23 -0.05 0.05 -0.33 -0.04 0.95 0.59 1feaD1 ALA 31 H 0.02 0.64 0.29 -0.55 8.40 8.80 1feaD1 ALA 31 HA 0.16 0.23 0.99 -0.75 4.34 4.96 1feaD1 ALA 31 HB3 -0.81 -0.01 0.01 -0.04 1.41 0.56 1feaD1 VAL 32 H 0.25 0.87 0.32 -0.55 8.24 9.13 1feaD1 VAL 32 HA 0.07 0.13 0.97 -0.75 4.13 4.55 1feaD1 VAL 32 HB 0.46 0.02 0.05 -0.04 2.12 2.61 1feaD1 VAL 32 HG13 0.19 -0.03 -0.15 -0.04 0.97 0.94 1feaD1 VAL 32 HG23 0.21 0.01 -0.20 -0.04 0.95 0.93 1feaD1 ILE 33 H -0.02 0.59 0.31 -0.55 8.25 8.58 1feaD1 ILE 33 HA -0.30 0.50 1.21 -0.75 4.18 4.84 1feaD1 ILE 33 HB -0.11 -0.17 0.14 -0.04 1.89 1.71 1feaD1 ILE 33 HG12 -0.18 0.04 -0.24 -0.04 1.49 1.07 1feaD1 ILE 33 HG13 -0.16 0.02 -0.43 -0.04 1.21 0.60 1feaD1 ILE 33 HG23 -0.17 0.02 -0.25 -0.04 0.93 0.49 1feaD1 ILE 33 HD13 -0.15 -0.01 -0.28 -0.04 0.88 0.40 1feaD1 ASP 34 H -0.37 0.65 0.38 -0.55 8.40 8.51 1feaD1 ASP 34 HA -0.12 0.04 0.61 -0.75 4.63 4.42 1feaD1 ASP 34 HB2 0.16 -0.04 -0.26 -0.04 2.71 2.52 1feaD1 ASP 34 HB3 0.25 0.10 -0.09 -0.04 2.70 2.92 1feaD1 LEU 35 H -0.21 0.08 0.12 -0.55 8.37 7.81 1feaD1 LEU 35 HA -0.39 0.12 0.41 -0.75 4.35 3.73 1feaD1 LEU 35 HB2 -0.37 0.06 -0.10 -0.04 1.64 1.19 1feaD1 LEU 35 HB3 -0.97 0.04 -0.00 -0.04 1.64 0.67 1feaD1 LEU 35 HG -0.43 -0.08 0.05 -0.04 1.64 1.13 1feaD1 LEU 35 HD13 -0.79 0.02 -0.02 -0.04 0.93 0.10 1feaD1 LEU 35 HD23 -1.20 0.02 -0.14 -0.04 0.89 -0.48 1feaD1 GLN 36 H 0.02 0.03 -0.07 -0.55 8.47 7.91 1feaD1 GLN 36 HA 0.10 0.16 0.20 -0.75 4.36 4.06 1feaD1 GLN 36 HB2 0.08 -0.07 0.15 -0.04 2.15 2.26 1feaD1 GLN 36 HB3 0.13 0.24 0.17 -0.04 2.02 2.51 1feaD1 GLN 36 HG2 0.08 -0.11 -0.18 -0.04 2.40 2.15 1feaD1 GLN 36 HG3 0.08 0.03 -0.17 -0.04 2.39 2.28 1feaD1 GLN 36 HE21 -0.08 0.16 -0.29 -0.04 6.97 6.72 1feaD1 GLN 36 HE22 0.03 0.41 -0.14 -0.04 7.69 7.94 1feaD1 LYS 37 H 0.06 0.23 0.12 -0.55 8.42 8.28 1feaD1 LYS 37 HA -0.27 0.05 0.57 -0.75 4.32 3.91 1feaD1 LYS 37 HB2 0.01 -0.01 0.12 -0.04 1.87 1.95 1feaD1 LYS 37 HB3 -0.11 0.08 -0.06 -0.04 1.79 1.66 1feaD1 LYS 37 HG2 -0.33 0.05 0.06 -0.04 1.46 1.21 1feaD1 LYS 37 HG3 -0.47 -0.05 0.01 -0.04 1.46 0.91 1feaD1 LYS 37 HD2 0.03 -0.00 0.00 -0.04 1.69 1.67 1feaD1 LYS 37 HD3 -0.03 0.04 0.01 -0.04 1.68 1.65 1feaD1 LYS 37 HE2 -0.32 -0.03 -0.02 -0.04 2.99 2.58 1feaD1 LYS 37 HE3 0.15 -0.02 -0.05 -0.04 2.99 3.04 1feaD1 HIS 38 H 0.05 0.15 -0.08 -0.55 8.41 7.98 1feaD1 HIS 38 HA 0.07 0.15 0.74 -0.75 4.63 4.83 1feaD1 HIS 38 HB2 -0.06 -0.02 -0.04 -0.04 3.26 3.11 1feaD1 HIS 38 HB3 -0.09 0.09 0.00 -0.04 3.20 3.17 1feaD1 HIS 38 HD2 0.08 -0.03 0.06 -0.04 6.97 7.03 1feaD1 HIS 38 HE1 -0.01 -0.01 -0.07 -0.04 7.75 7.62 1feaD1 HIS 39 H 0.37 0.10 0.05 -0.55 8.41 8.38 1feaD1 HIS 39 HA 0.11 0.12 0.25 -0.75 4.63 4.34 1feaD1 HIS 39 HB2 0.18 0.07 0.06 -0.04 3.26 3.53 1feaD1 HIS 39 HB3 0.11 -0.06 0.08 -0.04 3.20 3.29 1feaD1 HIS 39 HD2 0.15 -0.04 -0.07 -0.04 6.97 6.96 1feaD1 HIS 39 HE1 0.17 -0.00 0.01 -0.04 7.75 7.89 1feaD1 GLY 40 H 0.17 0.33 0.20 -0.55 8.43 8.59 1feaD1 GLY 40 HA2 -0.49 0.03 0.34 -0.51 4.01 3.37 1feaD1 GLY 40 HA3 -0.30 0.32 0.94 -0.51 4.01 4.45 1feaD1 PRO 41 HA -0.93 -0.07 0.34 -0.51 4.44 3.27 1feaD1 PRO 41 HB2 -0.23 0.06 0.01 -0.04 2.28 2.07 1feaD1 PRO 41 HB3 -0.32 0.02 0.08 -0.04 2.02 1.77 1feaD1 PRO 41 HG2 -0.26 0.07 0.09 -0.04 2.03 1.89 1feaD1 PRO 41 HG3 -0.22 0.07 0.07 -0.04 2.03 1.92 1feaD1 PRO 41 HD2 -0.68 0.17 0.22 -0.04 3.68 3.35 1feaD1 PRO 41 HD3 -0.97 0.13 0.15 -0.04 3.65 2.92 1feaD1 PRO 42 HA -0.37 0.03 0.36 -0.51 4.44 3.96 1feaD1 PRO 42 HB2 -0.29 0.01 0.05 -0.04 2.28 2.01 1feaD1 PRO 42 HB3 -0.19 0.05 0.06 -0.04 2.02 1.89 1feaD1 PRO 42 HG2 -0.91 0.02 0.04 -0.04 2.03 1.14 1feaD1 PRO 42 HG3 -0.27 0.05 0.07 -0.04 2.03 1.84 1feaD1 PRO 42 HD2 -0.19 0.09 0.18 -0.04 3.68 3.71 1feaD1 PRO 42 HD3 -0.17 0.14 0.32 -0.04 3.65 3.90 1feaD1 HIS 43 H -0.24 0.32 0.12 -0.55 8.41 8.06 1feaD1 HIS 43 HA 0.13 0.19 0.91 -0.75 4.63 5.10 1feaD1 HIS 43 HB2 -0.01 0.14 0.00 -0.04 3.26 3.35 1feaD1 HIS 43 HB3 0.04 -0.09 0.09 -0.04 3.20 3.20 1feaD1 HIS 43 HD2 0.11 -0.01 -0.05 -0.04 6.97 6.98 1feaD1 HIS 43 HE1 0.12 0.07 0.02 -0.04 7.75 7.92 1feaD1 TYR 44 H -0.39 0.77 -0.20 -0.55 8.29 7.91 1feaD1 TYR 44 HA 0.10 -0.14 0.21 -0.75 4.56 3.98 1feaD1 TYR 44 HB2 0.24 0.12 0.17 -0.04 3.06 3.55 1feaD1 TYR 44 HB3 0.14 -0.04 -0.03 -0.04 2.98 3.01 1feaD1 TYR 44 HD2 0.24 0.06 -0.20 -0.04 7.15 7.20 1feaD1 TYR 44 HE2 0.01 0.06 -0.08 -0.04 6.85 6.80 1feaD1 ALA 45 H 0.41 0.42 0.19 -0.55 8.40 8.87 1feaD1 ALA 45 HA 0.17 0.05 0.54 -0.75 4.34 4.34 1feaD1 ALA 45 HB3 0.22 -0.04 -0.03 -0.04 1.41 1.51 1feaD1 ALA 46 H 0.10 0.24 -0.00 -0.55 8.40 8.19 1feaD1 ALA 46 HA 0.05 -0.05 0.43 -0.75 4.34 4.02 1feaD1 ALA 46 HB3 0.07 0.11 -0.56 -0.04 1.41 0.98 1feaD1 LEU 47 H -0.01 0.76 0.18 -0.55 8.37 8.76 1feaD1 LEU 47 HA 0.00 -0.09 0.41 -0.75 4.35 3.92 1feaD1 LEU 47 HB2 -0.34 0.03 0.16 -0.04 1.64 1.46 1feaD1 LEU 47 HB3 -0.16 0.13 0.16 -0.04 1.64 1.72 1feaD1 LEU 47 HG -0.07 -0.02 -0.09 -0.04 1.64 1.42 1feaD1 LEU 47 HD13 -0.02 -0.01 -0.00 -0.04 0.93 0.85 1feaD1 LEU 47 HD23 -0.57 0.04 -0.02 -0.04 0.89 0.30 1feaD1 GLY 48 H -0.11 0.65 0.37 -0.55 8.43 8.80 1feaD1 GLY 48 HA2 -0.48 0.00 0.36 -0.51 4.01 3.38 1feaD1 GLY 48 HA3 0.03 0.18 0.77 -0.51 4.01 4.48 1feaD1 GLY 49 H 0.02 0.80 -0.03 -0.55 8.43 8.68 1feaD1 GLY 49 HA2 0.05 0.07 0.26 -0.51 4.01 3.87 1feaD1 GLY 49 HA3 0.03 -0.14 0.79 -0.51 4.01 4.19 1feaD1 THR 50 H 0.07 0.07 0.18 -0.55 8.28 8.05 1feaD1 THR 50 HA 0.07 0.17 0.49 -0.75 4.39 4.37 1feaD1 THR 50 HB 0.08 -0.13 0.11 -0.04 4.32 4.34 1feaD1 THR 50 HG23 0.06 0.03 -0.09 -0.04 1.22 1.18 1feaD1 CYS 51 H 0.05 0.02 -0.03 -0.55 8.50 7.99 1feaD1 CYS 51 HA 0.03 -0.14 0.39 -0.75 4.58 4.11 1feaD1 CYS 51 HB2 0.05 -0.08 0.15 -0.04 2.97 3.04 1feaD1 CYS 51 HB3 0.04 0.09 0.10 -0.04 2.97 3.16 1feaD1 VAL 52 H 0.05 0.13 -0.26 -0.55 8.24 7.60 1feaD1 VAL 52 HA 0.00 0.05 0.34 -0.75 4.13 3.77 1feaD1 VAL 52 HB 0.11 -0.01 -0.14 -0.04 2.12 2.04 1feaD1 VAL 52 HG13 0.08 0.04 -0.23 -0.04 0.97 0.81 1feaD1 VAL 52 HG23 0.17 -0.01 -0.02 -0.04 0.95 1.05 1feaD1 ASN 53 H 0.03 0.17 -0.41 -0.55 8.53 7.78 1feaD1 ASN 53 HA -0.01 0.23 0.70 -0.75 4.76 4.94 1feaD1 ASN 53 HB2 0.10 -0.06 0.17 -0.04 2.88 3.05 1feaD1 ASN 53 HB3 0.18 0.16 0.08 -0.04 2.79 3.17 1feaD1 ASN 53 HD21 0.09 0.44 -0.42 -0.04 7.03 7.09 1feaD1 ASN 53 HD22 0.09 0.00 -0.02 -0.04 7.74 7.76 1feaD1 VAL 54 H -0.06 0.24 -0.05 -0.55 8.24 7.81 1feaD1 VAL 54 HA -0.83 0.23 0.81 -0.75 4.13 3.58 1feaD1 VAL 54 HB -0.30 -0.06 0.10 -0.04 2.12 1.83 1feaD1 VAL 54 HG13 0.12 0.04 -0.19 -0.04 0.97 0.90 1feaD1 VAL 54 HG23 0.05 -0.04 -0.04 -0.04 0.95 0.88 1feaD1 GLY 55 H -0.22 0.24 -0.20 -0.55 8.43 7.70 1feaD1 GLY 55 HA2 0.04 0.12 0.64 -0.51 4.01 4.30 1feaD1 GLY 55 HA3 0.01 -0.18 0.31 -0.51 4.01 3.65 1feaD1 CYS 56 H 0.06 0.01 0.17 -0.55 8.50 8.19 1feaD1 CYS 56 HA 0.04 0.03 0.28 -0.75 4.58 4.17 1feaD1 CYS 56 HB2 -0.02 0.12 -0.11 -0.04 2.97 2.92 1feaD1 CYS 56 HB3 0.02 0.03 0.12 -0.04 2.97 3.10 1feaD1 VAL 57 H -0.03 0.41 -0.45 -0.55 8.24 7.62 1feaD1 VAL 57 HA -0.07 0.09 0.68 -0.75 4.13 4.07 1feaD1 VAL 57 HB -0.05 0.24 0.18 -0.04 2.12 2.45 1feaD1 VAL 57 HG13 -0.07 0.01 -0.10 -0.04 0.97 0.77 1feaD1 VAL 57 HG23 -0.04 -0.05 -0.12 -0.04 0.95 0.70 1feaD1 PRO 58 HA -0.02 0.08 0.71 -0.51 4.44 4.69 1feaD1 PRO 58 HB2 0.51 0.02 -0.00 -0.04 2.28 2.77 1feaD1 PRO 58 HB3 -0.01 0.12 0.14 -0.04 2.02 2.23 1feaD1 PRO 58 HG2 -0.22 0.01 0.06 -0.04 2.03 1.85 1feaD1 PRO 58 HG3 -0.40 0.33 -0.01 -0.04 2.03 1.90 1feaD1 PRO 58 HD2 -0.10 -0.04 0.04 -0.04 3.68 3.54 1feaD1 PRO 58 HD3 -0.11 0.33 0.09 -0.04 3.65 3.92 1feaD1 LYS 59 H 0.14 0.53 -0.25 -0.55 8.42 8.30 1feaD1 LYS 59 HA -0.14 0.05 0.22 -0.75 4.32 3.70 1feaD1 LYS 59 HB2 0.25 -0.00 -0.09 -0.04 1.87 1.99 1feaD1 LYS 59 HB3 0.07 0.06 -0.13 -0.04 1.79 1.74 1feaD1 LYS 59 HG2 -0.18 0.01 -0.10 -0.04 1.46 1.16 1feaD1 LYS 59 HG3 0.07 -0.10 -0.14 -0.04 1.46 1.25 1feaD1 LYS 59 HD2 -0.15 0.14 -0.76 -0.04 1.69 0.87 1feaD1 LYS 59 HD3 0.02 0.01 -0.16 -0.04 1.68 1.50 1feaD1 LYS 59 HE2 -0.00 -0.01 -0.03 -0.04 2.99 2.90 1feaD1 LYS 59 HE3 -0.13 0.01 -0.05 -0.04 2.99 2.78 1feaD1 LYS 60 H -0.11 0.32 -0.37 -0.55 8.42 7.72 1feaD1 LYS 60 HA -0.27 0.03 0.47 -0.75 4.32 3.80 1feaD1 LYS 60 HB2 -0.34 0.12 0.19 -0.04 1.87 1.80 1feaD1 LYS 60 HB3 -0.18 0.12 0.17 -0.04 1.79 1.87 1feaD1 LYS 60 HG2 -0.25 0.00 -0.01 -0.04 1.46 1.16 1feaD1 LYS 60 HG3 -0.21 -0.01 -0.10 -0.04 1.46 1.09 1feaD1 LYS 60 HD2 -0.75 -0.02 0.04 -0.04 1.69 0.92 1feaD1 LYS 60 HD3 -1.10 -0.04 0.01 -0.04 1.68 0.52 1feaD1 LYS 60 HE2 -0.16 0.02 -0.02 -0.04 2.99 2.79 1feaD1 LYS 60 HE3 -0.22 -0.05 -0.03 -0.04 2.99 2.65 1feaD1 LEU 61 H -0.10 0.43 -0.12 -0.55 8.37 8.04 1feaD1 LEU 61 HA -0.07 0.03 0.42 -0.75 4.35 3.97 1feaD1 LEU 61 HB2 -0.08 0.09 0.24 -0.04 1.64 1.85 1feaD1 LEU 61 HB3 -0.08 -0.02 0.06 -0.04 1.64 1.56 1feaD1 LEU 61 HG -0.08 0.18 0.14 -0.04 1.64 1.83 1feaD1 LEU 61 HD13 -0.07 -0.01 0.03 -0.04 0.93 0.85 1feaD1 LEU 61 HD23 -0.06 -0.02 0.01 -0.04 0.89 0.78 1feaD1 MET 62 H -0.12 0.67 -0.19 -0.55 8.47 8.29 1feaD1 MET 62 HA -0.14 0.01 0.28 -0.75 4.52 3.92 1feaD1 MET 62 HB2 -0.26 0.04 0.05 -0.04 2.15 1.94 1feaD1 MET 62 HB3 -0.27 -0.05 -0.02 -0.04 2.03 1.66 1feaD1 MET 62 HG2 -0.40 -0.04 -0.05 -0.04 2.63 2.10 1feaD1 MET 62 HG3 -0.20 0.02 0.00 -0.04 2.56 2.35 1feaD1 MET 62 HE3 -0.30 0.01 -0.09 -0.04 2.10 1.68 1feaD1 VAL 63 H -0.13 0.40 -0.29 -0.55 8.24 7.68 1feaD1 VAL 63 HA -0.06 0.04 0.42 -0.75 4.13 3.77 1feaD1 VAL 63 HB -0.09 -0.01 0.19 -0.04 2.12 2.17 1feaD1 VAL 63 HG13 0.03 -0.02 -0.11 -0.04 0.97 0.83 1feaD1 VAL 63 HG23 -0.09 0.03 0.05 -0.04 0.95 0.90 1feaD1 THR 64 H -0.07 0.56 -0.21 -0.55 8.28 8.01 1feaD1 THR 64 HA -0.12 -0.02 0.44 -0.75 4.39 3.94 1feaD1 THR 64 HB -0.02 0.21 0.19 -0.04 4.32 4.67 1feaD1 THR 64 HG23 -0.01 -0.03 -0.11 -0.04 1.22 1.03 1feaD1 GLY 65 H 0.04 0.51 -0.10 -0.55 8.43 8.34 1feaD1 GLY 65 HA2 0.42 0.01 0.47 -0.51 4.01 4.40 1feaD1 GLY 65 HA3 0.24 0.04 0.29 -0.51 4.01 4.07 1feaD1 ALA 66 H 0.15 0.54 -0.15 -0.55 8.40 8.39 1feaD1 ALA 66 HA 0.11 0.00 0.15 -0.75 4.34 3.85 1feaD1 ALA 66 HB3 0.11 0.03 0.09 -0.04 1.41 1.60 1feaD1 ASN 67 H -0.06 0.37 -0.47 -0.55 8.53 7.81 1feaD1 ASN 67 HA -0.06 -0.02 0.40 -0.75 4.76 4.32 1feaD1 ASN 67 HB2 -0.24 0.23 0.20 -0.04 2.88 3.02 1feaD1 ASN 67 HB3 -0.25 -0.10 0.02 -0.04 2.79 2.42 1feaD1 ASN 67 HD21 -0.02 -0.09 -0.06 -0.04 7.03 6.83 1feaD1 ASN 67 HD22 -0.06 0.69 0.11 -0.04 7.74 8.44 1feaD1 TYR 68 H -0.20 0.58 -0.15 -0.55 8.29 7.97 1feaD1 TYR 68 HA -0.03 -0.09 0.28 -0.75 4.56 3.96 1feaD1 TYR 68 HB2 -0.03 0.17 0.09 -0.04 3.06 3.25 1feaD1 TYR 68 HB3 -0.03 -0.06 0.03 -0.04 2.98 2.88 1feaD1 TYR 68 HD2 -0.01 0.01 0.09 -0.04 7.15 7.20 1feaD1 TYR 68 HE2 -0.03 -0.05 -0.09 -0.04 6.85 6.63 1feaD1 MET 69 H 0.01 0.50 -0.35 -0.55 8.47 8.09 1feaD1 MET 69 HA 0.01 0.04 0.42 -0.75 4.52 4.24 1feaD1 MET 69 HB2 -0.06 0.07 0.15 -0.04 2.15 2.26 1feaD1 MET 69 HB3 -0.02 0.09 0.21 -0.04 2.03 2.26 1feaD1 MET 69 HG2 0.01 -0.06 -0.29 -0.04 2.63 2.25 1feaD1 MET 69 HG3 -0.00 -0.03 0.04 -0.04 2.56 2.52 1feaD1 MET 69 HE3 0.01 -0.00 -0.02 -0.04 2.10 2.05 1feaD1 ASP 70 H -0.00 0.33 0.03 -0.55 8.40 8.22 1feaD1 ASP 70 HA 0.04 0.08 0.41 -0.75 4.63 4.41 1feaD1 ASP 70 HB2 -0.01 0.16 0.25 -0.04 2.71 3.07 1feaD1 ASP 70 HB3 0.01 -0.09 0.01 -0.04 2.70 2.59 1feaD1 THR 71 H -0.01 0.52 -0.13 -0.55 8.28 8.12 1feaD1 THR 71 HA 0.02 0.00 0.38 -0.75 4.39 4.04 1feaD1 THR 71 HB -0.03 -0.05 0.04 -0.04 4.32 4.24 1feaD1 THR 71 HG23 -0.11 0.09 -0.12 -0.04 1.22 1.04 1feaD1 ILE 72 H 0.05 0.65 -0.20 -0.55 8.25 8.20 1feaD1 ILE 72 HA 0.01 -0.00 0.52 -0.75 4.18 3.96 1feaD1 ILE 72 HB 0.04 0.26 0.18 -0.04 1.89 2.33 1feaD1 ILE 72 HG12 -0.01 -0.07 0.01 -0.04 1.49 1.39 1feaD1 ILE 72 HG13 0.05 -0.08 -0.02 -0.04 1.21 1.12 1feaD1 ILE 72 HG23 0.03 -0.02 -0.11 -0.04 0.93 0.79 1feaD1 ILE 72 HD13 0.01 -0.00 -0.06 -0.04 0.88 0.79 1feaD1 ARG 73 H 0.05 0.35 -0.28 -0.55 8.46 8.03 1feaD1 ARG 73 HA 0.06 0.04 0.59 -0.75 4.34 4.28 1feaD1 ARG 73 HB2 0.05 0.11 0.18 -0.04 1.90 2.20 1feaD1 ARG 73 HB3 0.06 0.13 0.25 -0.04 1.80 2.19 1feaD1 ARG 73 HG2 0.07 -0.00 -0.15 -0.04 1.67 1.54 1feaD1 ARG 73 HG3 0.05 -0.04 0.08 -0.04 1.67 1.72 1feaD1 ARG 73 HD2 0.06 -0.02 0.01 -0.04 3.22 3.22 1feaD1 ARG 73 HD3 0.05 0.04 0.02 -0.04 3.22 3.28 1feaD1 GLU 74 H 0.08 0.52 0.04 -0.55 8.60 8.70 1feaD1 GLU 74 HA 0.15 0.26 0.57 -0.75 4.29 4.52 1feaD1 GLU 74 HB2 0.11 0.05 0.10 -0.04 2.09 2.30 1feaD1 GLU 74 HB3 0.24 -0.09 -0.01 -0.04 1.99 2.08 1feaD1 GLU 74 HG2 0.22 -0.18 -0.04 -0.04 2.34 2.30 1feaD1 GLU 74 HG3 0.11 0.09 -0.03 -0.04 2.34 2.47 1feaD1 SER 75 H 0.11 0.30 -0.56 -0.55 8.46 7.77 1feaD1 SER 75 HA 0.34 -0.01 0.34 -0.75 4.49 4.41 1feaD1 SER 75 HB2 0.06 -0.08 0.03 -0.04 3.95 3.92 1feaD1 SER 75 HB3 -0.08 0.04 0.10 -0.04 3.93 3.96 1feaD1 ALA 76 H 0.17 0.40 -0.37 -0.55 8.40 8.05 1feaD1 ALA 76 HA 0.17 0.16 0.41 -0.75 4.34 4.33 1feaD1 ALA 76 HB3 0.09 0.02 0.15 -0.04 1.41 1.63 1feaD1 GLY 77 H 0.13 0.37 -0.21 -0.55 8.43 8.17 1feaD1 GLY 77 HA2 -0.07 0.00 0.36 -0.51 4.01 3.79 1feaD1 GLY 77 HA3 -0.17 0.25 0.30 -0.51 4.01 3.88 1feaD1 PHE 78 H 0.36 0.39 -0.42 -0.55 8.34 8.11 1feaD1 PHE 78 HA 0.07 0.11 0.66 -0.75 4.62 4.71 1feaD1 PHE 78 HB2 0.37 0.08 0.09 -0.04 3.15 3.65 1feaD1 PHE 78 HB3 0.24 -0.06 0.17 -0.04 3.06 3.36 1feaD1 PHE 78 HD2 0.10 0.11 -0.02 -0.04 7.28 7.43 1feaD1 PHE 78 HE2 0.03 -0.04 -0.05 -0.04 7.38 7.28 1feaD1 PHE 78 HZ -0.01 -0.14 0.03 -0.04 7.32 7.16 1feaD1 GLY 79 H 0.05 0.38 -0.45 -0.55 8.43 7.86 1feaD1 GLY 79 HA2 -0.05 0.01 0.25 -0.51 4.01 3.72 1feaD1 GLY 79 HA3 -0.14 -0.00 0.37 -0.51 4.01 3.73 1feaD1 TRP 80 H 0.30 0.41 -0.12 -0.55 7.97 8.01 1feaD1 TRP 80 HA 0.04 0.11 0.91 -0.75 4.62 4.93 1feaD1 TRP 80 HB2 0.08 0.03 -0.14 -0.04 3.23 3.16 1feaD1 TRP 80 HB3 0.05 -0.04 -0.13 -0.04 3.23 3.07 1feaD1 TRP 80 HD1 0.15 0.05 -0.13 -0.04 7.22 7.26 1feaD1 TRP 80 HE1 0.04 -0.04 -0.02 -0.04 10.20 10.14 1feaD1 TRP 80 HE3 0.02 0.02 0.00 -0.04 7.59 7.60 1feaD1 TRP 80 HZ2 0.01 -0.04 -0.01 -0.04 7.44 7.36 1feaD1 TRP 80 HZ3 0.01 -0.03 0.01 -0.04 7.13 7.08 1feaD1 TRP 80 HH2 0.01 -0.04 -0.00 -0.04 7.19 7.11 1feaD1 GLU 81 H 0.11 0.20 0.16 -0.55 8.60 8.52 1feaD1 GLU 81 HA 0.10 0.16 0.90 -0.75 4.29 4.69 1feaD1 GLU 81 HB2 0.02 0.00 0.11 -0.04 2.09 2.18 1feaD1 GLU 81 HB3 0.04 -0.03 -0.03 -0.04 1.99 1.93 1feaD1 GLU 81 HG2 0.03 0.00 -0.02 -0.04 2.34 2.31 1feaD1 GLU 81 HG3 0.02 0.03 -0.35 -0.04 2.34 2.00 1feaD1 LEU 82 H 0.08 0.31 0.23 -0.55 8.37 8.44 1feaD1 LEU 82 HA 0.07 0.10 0.46 -0.75 4.35 4.23 1feaD1 LEU 82 HB2 0.06 -0.03 -0.02 -0.04 1.64 1.61 1feaD1 LEU 82 HB3 0.10 0.13 -0.04 -0.04 1.64 1.78 1feaD1 LEU 82 HG 0.09 -0.02 -0.11 -0.04 1.64 1.56 1feaD1 LEU 82 HD13 0.05 0.00 -0.25 -0.04 0.93 0.69 1feaD1 LEU 82 HD23 0.11 0.03 -0.22 -0.04 0.89 0.77 1feaD1 ASP 83 H 0.04 0.21 0.07 -0.55 8.40 8.17 1feaD1 ASP 83 HA 0.03 0.11 0.67 -0.75 4.63 4.69 1feaD1 ASP 83 HB2 0.03 0.06 0.15 -0.04 2.71 2.91 1feaD1 ASP 83 HB3 0.03 0.03 0.24 -0.04 2.70 2.96 1feaD1 ARG 84 H 0.04 0.48 0.20 -0.55 8.46 8.63 1feaD1 ARG 84 HA 0.04 0.07 0.27 -0.75 4.34 3.96 1feaD1 ARG 84 HB2 0.04 0.06 0.21 -0.04 1.90 2.17 1feaD1 ARG 84 HB3 0.03 0.03 0.01 -0.04 1.80 1.83 1feaD1 ARG 84 HG2 0.04 0.04 0.07 -0.04 1.67 1.78 1feaD1 ARG 84 HG3 0.05 -0.03 0.03 -0.04 1.67 1.69 1feaD1 ARG 84 HD2 0.05 -0.03 0.10 -0.04 3.22 3.30 1feaD1 ARG 84 HD3 0.06 0.06 0.09 -0.04 3.22 3.39 1feaD1 GLU 85 H 0.02 -0.01 -0.37 -0.55 8.60 7.69 1feaD1 GLU 85 HA 0.02 0.18 0.59 -0.75 4.29 4.33 1feaD1 GLU 85 HB2 0.02 -0.08 0.05 -0.04 2.09 2.04 1feaD1 GLU 85 HB3 0.02 0.03 -0.05 -0.04 1.99 1.94 1feaD1 GLU 85 HG2 0.01 -0.02 0.02 -0.04 2.34 2.32 1feaD1 GLU 85 HG3 0.01 0.06 0.07 -0.04 2.34 2.45 1feaD1 SER 86 H 0.02 0.44 -0.21 -0.55 8.46 8.16 1feaD1 SER 86 HA 0.02 0.11 0.62 -0.75 4.49 4.48 1feaD1 SER 86 HB2 0.02 -0.04 0.11 -0.04 3.95 3.99 1feaD1 SER 86 HB3 0.02 -0.10 0.11 -0.04 3.93 3.92 1feaD1 VAL 87 H 0.02 0.19 -0.46 -0.55 8.24 7.44 1feaD1 VAL 87 HA 0.01 -0.07 0.33 -0.75 4.13 3.65 1feaD1 VAL 87 HB 0.01 0.09 0.11 -0.04 2.12 2.30 1feaD1 VAL 87 HG13 0.00 -0.01 -0.16 -0.04 0.97 0.75 1feaD1 VAL 87 HG23 0.02 -0.01 -0.00 -0.04 0.95 0.92 1feaD1 ARG 88 H 0.01 0.11 0.22 -0.55 8.46 8.25 1feaD1 ARG 88 HA 0.02 0.27 0.96 -0.75 4.34 4.83 1feaD1 ARG 88 HB2 0.03 -0.06 0.11 -0.04 1.90 1.94 1feaD1 ARG 88 HB3 0.04 -0.00 -0.09 -0.04 1.80 1.71 1feaD1 ARG 88 HG2 0.02 0.13 -0.20 -0.04 1.67 1.58 1feaD1 ARG 88 HG3 0.03 -0.10 -0.03 -0.04 1.67 1.53 1feaD1 ARG 88 HD2 0.02 -0.02 0.07 -0.04 3.22 3.25 1feaD1 ARG 88 HD3 0.02 0.34 -0.05 -0.04 3.22 3.49 1feaD1 PRO 89 HA 0.04 -0.00 0.73 -0.51 4.44 4.70 1feaD1 PRO 89 HB2 0.14 -0.09 -0.11 -0.04 2.28 2.17 1feaD1 PRO 89 HB3 -0.27 0.11 0.05 -0.04 2.02 1.87 1feaD1 PRO 89 HG2 0.07 -0.05 0.07 -0.04 2.03 2.08 1feaD1 PRO 89 HG3 -0.01 0.30 -0.01 -0.04 2.03 2.27 1feaD1 PRO 89 HD2 0.01 0.09 0.25 -0.04 3.68 3.99 1feaD1 PRO 89 HD3 -0.03 0.17 0.07 -0.04 3.65 3.82 1feaD1 ASN 90 H 0.26 0.17 0.10 -0.55 8.53 8.52 1feaD1 ASN 90 HA 0.20 0.17 0.79 -0.75 4.76 5.17 1feaD1 ASN 90 HB2 0.10 0.17 -0.06 -0.04 2.88 3.05 1feaD1 ASN 90 HB3 0.11 -0.01 0.22 -0.04 2.79 3.08 1feaD1 ASN 90 HD21 0.05 0.02 0.01 -0.04 7.03 7.07 1feaD1 ASN 90 HD22 0.05 0.08 0.03 -0.04 7.74 7.86 1feaD1 TRP 91 H 0.46 0.35 0.10 -0.55 7.97 8.33 1feaD1 TRP 91 HA -0.14 0.06 0.38 -0.75 4.62 4.16 1feaD1 TRP 91 HB2 0.09 0.13 0.14 -0.04 3.23 3.55 1feaD1 TRP 91 HB3 0.04 -0.01 0.14 -0.04 3.23 3.36 1feaD1 TRP 91 HD1 0.02 0.22 -0.38 -0.04 7.22 7.03 1feaD1 TRP 91 HE1 0.03 0.44 -0.32 -0.04 10.20 10.31 1feaD1 TRP 91 HE3 -0.32 0.02 -0.04 -0.04 7.59 7.20 1feaD1 TRP 91 HZ2 0.09 0.13 -0.04 -0.04 7.44 7.59 1feaD1 TRP 91 HZ3 -0.05 0.01 -0.16 -0.04 7.13 6.89 1feaD1 TRP 91 HH2 0.16 -0.04 -0.08 -0.04 7.19 7.20 1feaD1 LYS 92 H 0.22 0.12 -0.15 -0.55 8.42 8.05 1feaD1 LYS 92 HA 0.01 0.16 0.42 -0.75 4.32 4.16 1feaD1 LYS 92 HB2 0.09 -0.05 0.06 -0.04 1.87 1.93 1feaD1 LYS 92 HB3 0.06 0.02 -0.04 -0.04 1.79 1.79 1feaD1 LYS 92 HG2 0.24 0.08 0.11 -0.04 1.46 1.85 1feaD1 LYS 92 HG3 0.13 -0.02 0.06 -0.04 1.46 1.59 1feaD1 LYS 92 HD2 0.08 -0.05 0.02 -0.04 1.69 1.70 1feaD1 LYS 92 HD3 0.11 0.01 0.06 -0.04 1.68 1.82 1feaD1 LYS 92 HE2 0.15 0.35 0.15 -0.04 2.99 3.61 1feaD1 LYS 92 HE3 0.10 -0.07 0.03 -0.04 2.99 3.01 1feaD1 ALA 93 H 0.04 0.19 -0.20 -0.55 8.40 7.88 1feaD1 ALA 93 HA -0.02 0.07 0.52 -0.75 4.34 4.16 1feaD1 ALA 93 HB3 0.01 0.04 0.11 -0.04 1.41 1.54 1feaD1 LEU 94 H -0.12 0.34 -0.25 -0.55 8.37 7.79 1feaD1 LEU 94 HA -0.15 0.02 0.38 -0.75 4.35 3.85 1feaD1 LEU 94 HB2 -0.30 0.06 0.13 -0.04 1.64 1.49 1feaD1 LEU 94 HB3 -0.72 0.07 0.18 -0.04 1.64 1.12 1feaD1 LEU 94 HG -0.17 -0.00 -0.02 -0.04 1.64 1.41 1feaD1 LEU 94 HD13 -0.99 0.01 -0.04 -0.04 0.93 -0.13 1feaD1 LEU 94 HD23 -0.23 -0.01 -0.12 -0.04 0.89 0.48 1feaD1 ILE 95 H -0.60 0.71 0.14 -0.55 8.25 7.96 1feaD1 ILE 95 HA -0.36 -0.03 0.42 -0.75 4.18 3.46 1feaD1 ILE 95 HB -0.34 0.05 0.07 -0.04 1.89 1.63 1feaD1 ILE 95 HG12 -1.39 -0.12 0.06 -0.04 1.49 -0.01 1feaD1 ILE 95 HG13 -1.56 0.07 -0.10 -0.04 1.21 -0.42 1feaD1 ILE 95 HG23 -0.10 0.04 -0.05 -0.04 0.93 0.77 1feaD1 ILE 95 HD13 -0.46 -0.01 -0.12 -0.04 0.88 0.26 1feaD1 ALA 96 H -0.12 0.35 -0.69 -0.55 8.40 7.39 1feaD1 ALA 96 HA -0.02 0.05 0.52 -0.75 4.34 4.15 1feaD1 ALA 96 HB3 -0.02 0.03 0.10 -0.04 1.41 1.48 1feaD1 ALA 97 H -0.08 0.62 0.11 -0.55 8.40 8.50 1feaD1 ALA 97 HA -0.04 0.02 0.55 -0.75 4.34 4.12 1feaD1 ALA 97 HB3 -0.06 0.01 0.13 -0.04 1.41 1.46 1feaD1 LYS 98 H -0.12 0.68 -0.12 -0.55 8.42 8.30 1feaD1 LYS 98 HA -0.10 -0.02 0.54 -0.75 4.32 3.99 1feaD1 LYS 98 HB2 -0.16 -0.02 0.06 -0.04 1.87 1.71 1feaD1 LYS 98 HB3 -0.17 0.17 0.14 -0.04 1.79 1.89 1feaD1 LYS 98 HG2 -0.10 -0.11 0.15 -0.04 1.46 1.37 1feaD1 LYS 98 HG3 -0.08 -0.03 0.09 -0.04 1.46 1.39 1feaD1 LYS 98 HD2 -0.13 0.07 -0.42 -0.04 1.69 1.18 1feaD1 LYS 98 HD3 -0.09 -0.05 0.00 -0.04 1.68 1.50 1feaD1 LYS 98 HE2 -0.02 -0.12 0.06 -0.04 2.99 2.86 1feaD1 LYS 98 HE3 -0.19 0.05 0.10 -0.04 2.99 2.91 1feaD1 ASN 99 H -0.05 0.43 -0.29 -0.55 8.53 8.07 1feaD1 ASN 99 HA -0.08 -0.01 0.26 -0.75 4.76 4.17 1feaD1 ASN 99 HB2 0.06 0.12 0.17 -0.04 2.88 3.19 1feaD1 ASN 99 HB3 0.23 -0.07 0.02 -0.04 2.79 2.92 1feaD1 ASN 99 HD21 0.15 -0.01 0.02 -0.04 7.03 7.14 1feaD1 ASN 99 HD22 0.10 -0.08 0.02 -0.04 7.74 7.74 1feaD1 LYS 100 H -0.02 0.43 -0.24 -0.55 8.42 8.04 1feaD1 LYS 100 HA 0.03 0.05 0.65 -0.75 4.32 4.30 1feaD1 LYS 100 HB2 -0.02 0.08 0.17 -0.04 1.87 2.05 1feaD1 LYS 100 HB3 -0.01 -0.06 0.08 -0.04 1.79 1.77 1feaD1 LYS 100 HG2 0.01 0.06 0.07 -0.04 1.46 1.57 1feaD1 LYS 100 HG3 -0.01 -0.01 0.03 -0.04 1.46 1.42 1feaD1 LYS 100 HD2 -0.00 -0.03 0.03 -0.04 1.69 1.64 1feaD1 LYS 100 HD3 0.01 -0.02 0.02 -0.04 1.68 1.65 1feaD1 LYS 100 HE2 -0.00 -0.02 -0.00 -0.04 2.99 2.92 1feaD1 LYS 100 HE3 0.01 0.00 -0.01 -0.04 2.99 2.95 1feaD1 ALA 101 H -0.06 0.56 -0.15 -0.55 8.40 8.20 1feaD1 ALA 101 HA -0.05 0.00 0.38 -0.75 4.34 3.92 1feaD1 ALA 101 HB3 -0.07 0.03 0.19 -0.04 1.41 1.52 1feaD1 VAL 102 H -0.14 0.65 0.01 -0.55 8.24 8.21 1feaD1 VAL 102 HA -0.12 -0.03 0.22 -0.75 4.13 3.45 1feaD1 VAL 102 HB -0.64 0.08 0.13 -0.04 2.12 1.64 1feaD1 VAL 102 HG13 -0.26 0.01 0.04 -0.04 0.97 0.72 1feaD1 VAL 102 HG23 -0.17 0.04 0.10 -0.04 0.95 0.88 1feaD1 SER 103 H -0.00 0.41 -0.44 -0.55 8.46 7.88 1feaD1 SER 103 HA 0.30 -0.03 0.42 -0.75 4.49 4.44 1feaD1 SER 103 HB2 0.08 0.09 0.13 -0.04 3.95 4.22 1feaD1 SER 103 HB3 0.11 -0.07 -0.01 -0.04 3.93 3.92 1feaD1 GLY 104 H 0.00 0.61 -0.08 -0.55 8.43 8.41 1feaD1 GLY 104 HA2 -0.00 0.00 0.52 -0.51 4.01 4.02 1feaD1 GLY 104 HA3 -0.03 0.09 0.36 -0.51 4.01 3.92 1feaD1 ILE 105 H -0.05 0.47 -0.25 -0.55 8.25 7.87 1feaD1 ILE 105 HA -0.20 0.03 0.51 -0.75 4.18 3.76 1feaD1 ILE 105 HB -0.07 0.20 0.12 -0.04 1.89 2.10 1feaD1 ILE 105 HG12 -0.13 -0.05 -0.00 -0.04 1.49 1.26 1feaD1 ILE 105 HG13 -0.09 0.20 0.01 -0.04 1.21 1.29 1feaD1 ILE 105 HG23 -0.23 -0.04 -0.08 -0.04 0.93 0.55 1feaD1 ILE 105 HD13 -0.08 -0.03 -0.07 -0.04 0.88 0.67 1feaD1 ASN 106 H 0.03 0.45 -0.06 -0.55 8.53 8.41 1feaD1 ASN 106 HA 0.11 -0.01 0.36 -0.75 4.76 4.46 1feaD1 ASN 106 HB2 0.23 0.14 0.25 -0.04 2.88 3.46 1feaD1 ASN 106 HB3 -0.17 0.08 0.09 -0.04 2.79 2.75 1feaD1 ASN 106 HD21 0.14 -0.10 -0.05 -0.04 7.03 6.98 1feaD1 ASN 106 HD22 0.15 -0.03 0.02 -0.04 7.74 7.84 1feaD1 ASP 107 H 0.02 0.48 -0.39 -0.55 8.40 7.97 1feaD1 ASP 107 HA 0.03 0.07 0.75 -0.75 4.63 4.73 1feaD1 ASP 107 HB2 0.02 0.13 0.18 -0.04 2.71 2.99 1feaD1 ASP 107 HB3 0.02 -0.05 0.06 -0.04 2.70 2.69 1feaD1 SER 108 H -0.13 0.41 -0.16 -0.55 8.46 8.04 1feaD1 SER 108 HA -0.08 0.04 0.26 -0.75 4.49 3.95 1feaD1 SER 108 HB2 -0.22 -0.06 0.04 -0.04 3.95 3.67 1feaD1 SER 108 HB3 -0.17 0.04 0.13 -0.04 3.93 3.89 1feaD1 TYR 109 H -0.18 0.44 -0.20 -0.55 8.29 7.80 1feaD1 TYR 109 HA -0.10 -0.01 0.40 -0.75 4.56 4.10 1feaD1 TYR 109 HB2 -0.06 0.21 0.11 -0.04 3.06 3.28 1feaD1 TYR 109 HB3 0.00 -0.06 -0.03 -0.04 2.98 2.85 1feaD1 TYR 109 HD2 -0.10 0.05 -0.07 -0.04 7.15 6.99 1feaD1 TYR 109 HE2 -0.09 -0.04 -0.04 -0.04 6.85 6.64 1feaD1 GLU 110 H 0.06 0.40 -0.40 -0.55 8.60 8.11 1feaD1 GLU 110 HA 0.13 -0.03 0.32 -0.75 4.29 3.95 1feaD1 GLU 110 HB2 0.01 0.24 0.20 -0.04 2.09 2.50 1feaD1 GLU 110 HB3 0.02 -0.06 0.13 -0.04 1.99 2.03 1feaD1 GLU 110 HG2 -0.17 -0.11 0.09 -0.04 2.34 2.11 1feaD1 GLU 110 HG3 -0.14 0.27 0.16 -0.04 2.34 2.58 1feaD1 GLY 111 H 0.05 0.46 -0.57 -0.55 8.43 7.82 1feaD1 GLY 111 HA2 0.07 0.12 0.95 -0.51 4.01 4.64 1feaD1 GLY 111 HA3 0.02 0.07 0.30 -0.51 4.01 3.89 1feaD1 MET 112 H 0.02 0.39 0.06 -0.55 8.47 8.39 1feaD1 MET 112 HA -0.12 0.04 0.36 -0.75 4.52 4.05 1feaD1 MET 112 HB2 -0.12 0.03 0.24 -0.04 2.15 2.26 1feaD1 MET 112 HB3 -0.42 0.01 0.07 -0.04 2.03 1.64 1feaD1 MET 112 HG2 -0.53 0.03 -0.02 -0.04 2.63 2.07 1feaD1 MET 112 HG3 -0.72 -0.01 0.03 -0.04 2.56 1.82 1feaD1 MET 112 HE3 -0.41 -0.01 -0.04 -0.04 2.10 1.60 1feaD1 PHE 113 H 0.19 0.16 -0.31 -0.55 8.34 7.83 1feaD1 PHE 113 HA 0.15 0.14 0.35 -0.75 4.62 4.51 1feaD1 PHE 113 HB2 0.04 0.03 0.02 -0.04 3.15 3.20 1feaD1 PHE 113 HB3 0.09 0.05 -0.00 -0.04 3.06 3.15 1feaD1 PHE 113 HD2 0.05 0.15 -0.25 -0.04 7.28 7.20 1feaD1 PHE 113 HE2 0.03 -0.02 -0.23 -0.04 7.38 7.12 1feaD1 PHE 113 HZ 0.15 -0.10 -0.11 -0.04 7.32 7.21 1feaD1 ALA 114 H 0.18 0.11 -0.20 -0.55 8.40 7.94 1feaD1 ALA 114 HA 0.12 0.03 0.32 -0.75 4.34 4.05 1feaD1 ALA 114 HB3 0.08 0.01 0.15 -0.04 1.41 1.61 1feaD1 ASP 115 H 0.11 0.47 -0.40 -0.55 8.40 8.02 1feaD1 ASP 115 HA 0.08 0.02 0.40 -0.75 4.63 4.37 1feaD1 ASP 115 HB2 0.09 0.21 0.11 -0.04 2.71 3.08 1feaD1 ASP 115 HB3 0.14 -0.06 0.09 -0.04 2.70 2.83 1feaD1 THR 116 H 0.14 0.52 -0.45 -0.55 8.28 7.95 1feaD1 THR 116 HA 0.05 0.11 1.06 -0.75 4.39 4.85 1feaD1 THR 116 HB 0.12 -0.08 0.06 -0.04 4.32 4.38 1feaD1 THR 116 HG23 -0.29 0.02 -0.10 -0.04 1.22 0.81 1feaD1 GLU 117 H -0.00 0.15 0.14 -0.55 8.60 8.34 1feaD1 GLU 117 HA 0.03 0.03 0.50 -0.75 4.29 4.10 1feaD1 GLU 117 HB2 -0.03 0.05 0.16 -0.04 2.09 2.22 1feaD1 GLU 117 HB3 -0.01 0.01 0.01 -0.04 1.99 1.96 1feaD1 GLU 117 HG2 0.01 -0.02 0.05 -0.04 2.34 2.35 1feaD1 GLU 117 HG3 0.00 0.00 0.09 -0.04 2.34 2.39 1feaD1 GLY 118 H 0.05 0.11 0.20 -0.55 8.43 8.24 1feaD1 GLY 118 HA2 0.05 -0.07 0.43 -0.51 4.01 3.91 1feaD1 GLY 118 HA3 0.00 0.40 0.83 -0.51 4.01 4.73 1feaD1 LEU 119 H 0.10 0.52 -0.28 -0.55 8.37 8.16 1feaD1 LEU 119 HA 0.19 0.20 1.00 -0.75 4.35 4.98 1feaD1 LEU 119 HB2 0.06 -0.00 -0.13 -0.04 1.64 1.52 1feaD1 LEU 119 HB3 0.16 0.11 0.10 -0.04 1.64 1.96 1feaD1 LEU 119 HG 0.27 -0.07 -0.34 -0.04 1.64 1.45 1feaD1 LEU 119 HD13 0.19 0.02 -0.14 -0.04 0.93 0.96 1feaD1 LEU 119 HD23 -0.07 -0.02 -0.21 -0.04 0.89 0.56 1feaD1 THR 120 H 0.31 0.57 0.26 -0.55 8.28 8.88 1feaD1 THR 120 HA 0.22 0.15 0.97 -0.75 4.39 4.98 1feaD1 THR 120 HB -0.00 0.02 -0.03 -0.04 4.32 4.26 1feaD1 THR 120 HG23 0.20 0.01 -0.29 -0.04 1.22 1.09 1feaD1 PHE 121 H -0.09 0.19 0.14 -0.55 8.34 8.03 1feaD1 PHE 121 HA -0.24 0.18 0.84 -0.75 4.62 4.65 1feaD1 PHE 121 HB2 -1.75 -0.01 0.03 -0.04 3.15 1.39 1feaD1 PHE 121 HB3 -0.55 0.01 0.11 -0.04 3.06 2.60 1feaD1 PHE 121 HD2 -0.31 0.01 -0.12 -0.04 7.28 6.81 1feaD1 PHE 121 HE2 -0.11 -0.10 -0.19 -0.04 7.38 6.94 1feaD1 PHE 121 HZ -0.11 -0.08 -0.32 -0.04 7.32 6.76 1feaD1 HIS 122 H -0.54 0.73 0.33 -0.55 8.41 8.39 1feaD1 HIS 122 HA -0.31 0.13 0.75 -0.75 4.63 4.45 1feaD1 HIS 122 HB2 -0.27 -0.03 -0.03 -0.04 3.26 2.89 1feaD1 HIS 122 HB3 -0.20 -0.01 -0.07 -0.04 3.20 2.88 1feaD1 HIS 122 HD2 -0.12 0.16 -0.30 -0.04 6.97 6.66 1feaD1 HIS 122 HE1 0.11 0.02 -0.10 -0.04 7.75 7.73 1feaD1 GLN 123 H -0.28 0.19 0.05 -0.55 8.47 7.89 1feaD1 GLN 123 HA -0.42 0.29 0.99 -0.75 4.36 4.47 1feaD1 GLN 123 HB2 -0.07 -0.05 -0.05 -0.04 2.15 1.94 1feaD1 GLN 123 HB3 -0.06 0.00 0.09 -0.04 2.02 2.01 1feaD1 GLN 123 HG2 -0.02 0.07 -0.34 -0.04 2.40 2.07 1feaD1 GLN 123 HG3 0.03 -0.02 -0.22 -0.04 2.39 2.13 1feaD1 GLN 123 HE21 0.08 -0.05 0.01 -0.04 6.97 6.97 1feaD1 GLN 123 HE22 0.06 0.20 -0.01 -0.04 7.69 7.91 1feaD1 GLY 124 H -0.21 0.52 0.18 -0.55 8.43 8.37 1feaD1 GLY 124 HA2 -0.01 0.06 0.35 -0.51 4.01 3.90 1feaD1 GLY 124 HA3 -0.01 0.20 0.43 -0.51 4.01 4.12 1feaD1 PHE 125 H 0.29 0.74 0.08 -0.55 8.34 8.89 1feaD1 PHE 125 HA -0.11 -0.01 0.66 -0.75 4.62 4.40 1feaD1 PHE 125 HB2 -0.07 0.07 -0.21 -0.04 3.15 2.90 1feaD1 PHE 125 HB3 -0.08 0.11 -0.28 -0.04 3.06 2.76 1feaD1 PHE 125 HD2 -0.10 0.11 -0.25 -0.04 7.28 7.01 1feaD1 PHE 125 HE2 -0.10 0.06 -0.00 -0.04 7.38 7.30 1feaD1 PHE 125 HZ -0.05 0.02 -0.01 -0.04 7.32 7.23 1feaD1 GLY 126 H -0.07 0.04 0.08 -0.55 8.43 7.93 1feaD1 GLY 126 HA2 -0.03 0.41 0.75 -0.51 4.01 4.63 1feaD1 GLY 126 HA3 -0.05 -0.09 0.24 -0.51 4.01 3.60 1feaD1 ALA 127 H -0.02 0.59 0.32 -0.55 8.40 8.74 1feaD1 ALA 127 HA -0.01 0.07 0.74 -0.75 4.34 4.40 1feaD1 ALA 127 HB3 -0.00 0.02 -0.11 -0.04 1.41 1.28 1feaD1 LEU 128 H -0.02 0.69 0.26 -0.55 8.37 8.76 1feaD1 LEU 128 HA -0.02 0.09 0.87 -0.75 4.35 4.53 1feaD1 LEU 128 HB2 -0.02 0.11 -0.03 -0.04 1.64 1.66 1feaD1 LEU 128 HB3 -0.02 -0.02 -0.17 -0.04 1.64 1.40 1feaD1 LEU 128 HG -0.02 -0.05 -0.06 -0.04 1.64 1.47 1feaD1 LEU 128 HD13 -0.02 -0.04 -0.15 -0.04 0.93 0.68 1feaD1 LEU 128 HD23 -0.02 0.02 -0.10 -0.04 0.89 0.75 1feaD1 GLN 129 H -0.01 0.54 0.34 -0.55 8.47 8.79 1feaD1 GLN 129 HA -0.01 0.12 0.70 -0.75 4.36 4.43 1feaD1 GLN 129 HB2 -0.00 -0.02 -0.04 -0.04 2.15 2.04 1feaD1 GLN 129 HB3 0.00 -0.02 0.07 -0.04 2.02 2.03 1feaD1 GLN 129 HG2 0.00 -0.00 -0.09 -0.04 2.40 2.27 1feaD1 GLN 129 HG3 -0.00 0.02 0.06 -0.04 2.39 2.42 1feaD1 GLN 129 HE21 0.00 -0.01 -0.04 -0.04 6.97 6.88 1feaD1 GLN 129 HE22 -0.00 0.01 -0.01 -0.04 7.69 7.65 1feaD1 ASP 130 H -0.01 0.41 0.35 -0.55 8.40 8.61 1feaD1 ASP 130 HA -0.01 0.27 0.30 -0.75 4.63 4.43 1feaD1 ASP 130 HB2 0.01 -0.02 0.16 -0.04 2.71 2.83 1feaD1 ASP 130 HB3 0.01 0.25 -0.07 -0.04 2.70 2.84 1feaD1 ASN 131 H -0.03 0.24 0.16 -0.55 8.53 8.36 1feaD1 ASN 131 HA -0.10 0.06 0.28 -0.75 4.76 4.25 1feaD1 ASN 131 HB2 -0.19 -0.02 0.17 -0.04 2.88 2.80 1feaD1 ASN 131 HB3 -0.09 0.07 0.20 -0.04 2.79 2.93 1feaD1 ASN 131 HD21 -0.05 0.02 0.01 -0.04 7.03 6.96 1feaD1 ASN 131 HD22 -0.18 -0.11 0.04 -0.04 7.74 7.45 1feaD1 HIS 132 H 0.03 -0.08 -0.55 -0.55 8.41 7.26 1feaD1 HIS 132 HA 0.00 0.37 0.62 -0.75 4.63 4.87 1feaD1 HIS 132 HB2 -0.01 -0.13 -0.02 -0.04 3.26 3.07 1feaD1 HIS 132 HB3 0.00 -0.06 0.20 -0.04 3.20 3.30 1feaD1 HIS 132 HD2 -0.02 -0.13 -0.12 -0.04 6.97 6.66 1feaD1 HIS 132 HE1 -0.14 0.00 0.22 -0.04 7.75 7.79 1feaD1 THR 133 H 0.03 0.30 0.13 -0.55 8.28 8.19 1feaD1 THR 133 HA 0.04 0.48 1.07 -0.75 4.39 5.22 1feaD1 THR 133 HB 0.02 -0.14 0.06 -0.04 4.32 4.21 1feaD1 THR 133 HG23 0.02 0.02 -0.12 -0.04 1.22 1.10 1feaD1 VAL 134 H -0.02 0.52 0.29 -0.55 8.24 8.49 1feaD1 VAL 134 HA -0.03 0.16 1.11 -0.75 4.13 4.62 1feaD1 VAL 134 HB -0.09 -0.05 -0.02 -0.04 2.12 1.92 1feaD1 VAL 134 HG13 -0.07 0.02 -0.23 -0.04 0.97 0.65 1feaD1 VAL 134 HG23 -0.04 0.01 -0.26 -0.04 0.95 0.63 1feaD1 LEU 135 H -0.03 0.85 0.35 -0.55 8.37 9.00 1feaD1 LEU 135 HA -0.03 0.24 0.90 -0.75 4.35 4.71 1feaD1 LEU 135 HB2 -0.01 0.04 0.05 -0.04 1.64 1.67 1feaD1 LEU 135 HB3 -0.01 -0.01 -0.04 -0.04 1.64 1.54 1feaD1 LEU 135 HG -0.01 -0.10 -0.18 -0.04 1.64 1.31 1feaD1 LEU 135 HD13 -0.01 0.01 -0.11 -0.04 0.93 0.78 1feaD1 LEU 135 HD23 -0.01 0.00 -0.03 -0.04 0.89 0.81 1feaD1 VAL 136 H -0.02 0.46 0.09 -0.55 8.24 8.22 1feaD1 VAL 136 HA -0.03 0.23 0.55 -0.75 4.13 4.14 1feaD1 VAL 136 HB -0.03 -0.13 0.05 -0.04 2.12 1.98 1feaD1 VAL 136 HG13 -0.04 -0.01 -0.39 -0.04 0.97 0.49 1feaD1 VAL 136 HG23 -0.11 0.00 -0.39 -0.04 0.95 0.42 1feaD1 ARG 137 H 0.04 0.75 0.09 -0.55 8.46 8.79 1feaD1 ARG 137 HA 0.01 0.17 1.02 -0.75 4.34 4.78 1feaD1 ARG 137 HB2 0.02 0.15 -0.06 -0.04 1.90 1.97 1feaD1 ARG 137 HB3 -0.03 -0.26 -0.10 -0.04 1.80 1.37 1feaD1 ARG 137 HG2 -0.02 0.09 -0.38 -0.04 1.67 1.32 1feaD1 ARG 137 HG3 -0.01 -0.08 -0.20 -0.04 1.67 1.34 1feaD1 ARG 137 HD2 -0.03 0.08 -0.22 -0.04 3.22 3.01 1feaD1 ARG 137 HD3 -0.05 -0.13 -0.28 -0.04 3.22 2.73 1feaD1 GLU 138 H -0.00 0.35 0.11 -0.55 8.60 8.51 1feaD1 GLU 138 HA 0.09 0.13 0.45 -0.75 4.29 4.20 1feaD1 GLU 138 HB2 0.03 -0.01 0.10 -0.04 2.09 2.16 1feaD1 GLU 138 HB3 0.02 0.07 0.09 -0.04 1.99 2.13 1feaD1 GLU 138 HG2 -0.01 0.26 0.19 -0.04 2.34 2.74 1feaD1 GLU 138 HG3 -0.03 -0.06 0.05 -0.04 2.34 2.25 1feaD1 SER 139 H -0.12 0.14 -0.16 -0.55 8.46 7.77 1feaD1 SER 139 HA -1.01 0.23 0.80 -0.75 4.49 3.75 1feaD1 SER 139 HB2 -0.36 -0.15 0.14 -0.04 3.95 3.54 1feaD1 SER 139 HB3 -0.17 0.13 -0.20 -0.04 3.93 3.64 1feaD1 ALA 140 H -0.97 0.14 0.12 -0.55 8.40 7.15 1feaD1 ALA 140 HA -0.36 0.16 0.41 -0.75 4.34 3.79 1feaD1 ALA 140 HB3 -0.25 0.00 0.08 -0.04 1.41 1.21 1feaD1 ASP 141 H -0.26 -0.04 -0.17 -0.55 8.40 7.39 1feaD1 ASP 141 HA -0.10 0.10 0.27 -0.75 4.63 4.15 1feaD1 ASP 141 HB2 -0.11 -0.01 0.05 -0.04 2.71 2.59 1feaD1 ASP 141 HB3 -0.11 -0.05 0.02 -0.04 2.70 2.52 1feaD1 PRO 142 HA -0.05 0.14 0.08 -0.51 4.44 4.09 1feaD1 PRO 142 HB2 -0.03 0.00 -0.03 -0.04 2.28 2.18 1feaD1 PRO 142 HB3 -0.03 0.03 0.11 -0.04 2.02 2.09 1feaD1 PRO 142 HG2 -0.03 0.00 0.07 -0.04 2.03 2.03 1feaD1 PRO 142 HG3 -0.04 0.11 0.15 -0.04 2.03 2.21 1feaD1 PRO 142 HD2 -0.05 0.07 0.04 -0.04 3.68 3.71 1feaD1 PRO 142 HD3 -0.06 0.06 0.18 -0.04 3.65 3.79 1feaD1 ASN 143 H -0.05 0.04 -0.47 -0.55 8.53 7.50 1feaD1 ASN 143 HA -0.03 0.30 0.91 -0.75 4.76 5.19 1feaD1 ASN 143 HB2 -0.02 -0.01 0.19 -0.04 2.88 2.99 1feaD1 ASN 143 HB3 -0.02 0.06 0.05 -0.04 2.79 2.84 1feaD1 ASN 143 HD21 -0.03 -0.03 -0.05 -0.04 7.03 6.88 1feaD1 ASN 143 HD22 -0.03 0.03 -0.01 -0.04 7.74 7.69 1feaD1 SER 144 H -0.05 0.31 -0.07 -0.55 8.46 8.09 1feaD1 SER 144 HA -0.04 0.07 0.61 -0.75 4.49 4.38 1feaD1 SER 144 HB2 -0.06 -0.13 0.10 -0.04 3.95 3.82 1feaD1 SER 144 HB3 -0.09 -0.04 0.05 -0.04 3.93 3.81 1feaD1 ALA 145 H -0.02 0.06 0.11 -0.55 8.40 8.01 1feaD1 ALA 145 HA -0.01 0.08 0.42 -0.75 4.34 4.08 1feaD1 ALA 145 HB3 -0.00 0.03 0.10 -0.04 1.41 1.49 1feaD1 VAL 146 H -0.01 0.13 0.21 -0.55 8.24 8.03 1feaD1 VAL 146 HA -0.00 0.01 0.53 -0.75 4.13 3.91 1feaD1 VAL 146 HB -0.00 -0.03 0.10 -0.04 2.12 2.14 1feaD1 VAL 146 HG13 -0.00 0.00 -0.27 -0.04 0.97 0.66 1feaD1 VAL 146 HG23 -0.01 0.01 0.01 -0.04 0.95 0.91 1feaD1 LEU 147 H 0.00 0.83 0.52 -0.55 8.37 9.18 1feaD1 LEU 147 HA 0.01 0.11 0.81 -0.75 4.35 4.53 1feaD1 LEU 147 HB2 0.01 0.22 0.05 -0.04 1.64 1.88 1feaD1 LEU 147 HB3 0.01 -0.05 -0.07 -0.04 1.64 1.49 1feaD1 LEU 147 HG 0.01 -0.03 -0.00 -0.04 1.64 1.58 1feaD1 LEU 147 HD13 0.01 0.03 -0.21 -0.04 0.93 0.72 1feaD1 LEU 147 HD23 0.02 -0.00 -0.16 -0.04 0.89 0.70 1feaD1 GLU 148 H -0.00 0.26 0.33 -0.55 8.60 8.65 1feaD1 GLU 148 HA 0.02 0.24 0.80 -0.75 4.29 4.60 1feaD1 GLU 148 HB2 -0.03 -0.06 -0.18 -0.04 2.09 1.78 1feaD1 GLU 148 HB3 0.02 0.02 0.01 -0.04 1.99 1.99 1feaD1 GLU 148 HG2 0.03 0.19 -0.52 -0.04 2.34 2.00 1feaD1 GLU 148 HG3 0.01 -0.04 -0.22 -0.04 2.34 2.06 1feaD1 THR 149 H 0.01 0.31 0.06 -0.55 8.28 8.11 1feaD1 THR 149 HA -0.01 0.20 0.77 -0.75 4.39 4.60 1feaD1 THR 149 HB 0.02 -0.00 0.06 -0.04 4.32 4.36 1feaD1 THR 149 HG23 0.01 -0.00 -0.15 -0.04 1.22 1.04 1feaD1 LEU 150 H -0.04 0.73 0.24 -0.55 8.37 8.76 1feaD1 LEU 150 HA 0.07 0.15 0.96 -0.75 4.35 4.78 1feaD1 LEU 150 HB2 -0.17 -0.06 0.05 -0.04 1.64 1.42 1feaD1 LEU 150 HB3 -0.37 0.08 -0.09 -0.04 1.64 1.22 1feaD1 LEU 150 HG -0.15 -0.15 -0.41 -0.04 1.64 0.89 1feaD1 LEU 150 HD13 -0.41 -0.00 -0.25 -0.04 0.93 0.23 1feaD1 LEU 150 HD23 -0.38 0.04 -0.15 -0.04 0.89 0.35 1feaD1 ASP 151 H 0.18 0.18 0.15 -0.55 8.40 8.36 1feaD1 ASP 151 HA 0.09 0.34 0.87 -0.75 4.63 5.17 1feaD1 ASP 151 HB2 0.06 0.01 0.11 -0.04 2.71 2.86 1feaD1 ASP 151 HB3 0.08 -0.20 0.24 -0.04 2.70 2.79 1feaD1 THR 152 H 0.14 0.71 0.23 -0.55 8.28 8.82 1feaD1 THR 152 HA 0.20 0.32 0.93 -0.75 4.39 5.09 1feaD1 THR 152 HB 0.10 -0.11 -0.55 -0.04 4.32 3.72 1feaD1 THR 152 HG23 0.07 0.02 -0.42 -0.04 1.22 0.85 1feaD1 GLU 153 H 0.19 0.54 0.31 -0.55 8.60 9.09 1feaD1 GLU 153 HA 0.13 0.01 0.66 -0.75 4.29 4.33 1feaD1 GLU 153 HB2 0.18 0.04 0.39 -0.04 2.09 2.66 1feaD1 GLU 153 HB3 0.03 0.02 0.23 -0.04 1.99 2.23 1feaD1 GLU 153 HG2 0.02 0.03 0.11 -0.04 2.34 2.46 1feaD1 GLU 153 HG3 0.07 -0.00 0.11 -0.04 2.34 2.48 1feaD1 TYR 154 H 0.32 0.65 0.29 -0.55 8.29 9.01 1feaD1 TYR 154 HA 0.13 0.29 0.86 -0.75 4.56 5.08 1feaD1 TYR 154 HB2 0.30 0.16 0.20 -0.04 3.06 3.68 1feaD1 TYR 154 HB3 0.26 -0.10 -0.06 -0.04 2.98 3.04 1feaD1 TYR 154 HD2 0.21 0.09 0.06 -0.04 7.15 7.47 1feaD1 TYR 154 HE2 0.03 0.03 0.04 -0.04 6.85 6.91 1feaD1 ILE 155 H 0.25 0.57 0.33 -0.55 8.25 8.84 1feaD1 ILE 155 HA 0.11 0.15 1.03 -0.75 4.18 4.72 1feaD1 ILE 155 HB 0.04 -0.02 0.09 -0.04 1.89 1.95 1feaD1 ILE 155 HG12 0.01 -0.02 -0.25 -0.04 1.49 1.19 1feaD1 ILE 155 HG13 0.02 0.12 -0.53 -0.04 1.21 0.77 1feaD1 ILE 155 HG23 0.01 -0.03 -0.27 -0.04 0.93 0.60 1feaD1 ILE 155 HD13 -0.04 -0.04 -0.28 -0.04 0.88 0.48 1feaD1 LEU 156 H 0.06 0.67 0.29 -0.55 8.37 8.84 1feaD1 LEU 156 HA -0.07 0.25 1.08 -0.75 4.35 4.86 1feaD1 LEU 156 HB2 -0.45 0.07 -0.09 -0.04 1.64 1.13 1feaD1 LEU 156 HB3 -0.08 -0.03 0.06 -0.04 1.64 1.55 1feaD1 LEU 156 HG -0.16 -0.07 -0.56 -0.04 1.64 0.81 1feaD1 LEU 156 HD13 -0.62 0.03 -0.25 -0.04 0.93 0.05 1feaD1 LEU 156 HD23 -0.24 -0.02 -0.16 -0.04 0.89 0.42 1feaD1 LEU 157 H -0.03 0.84 0.36 -0.55 8.37 8.98 1feaD1 LEU 157 HA -0.02 0.07 0.84 -0.75 4.35 4.48 1feaD1 LEU 157 HB2 -0.01 -0.05 0.21 -0.04 1.64 1.75 1feaD1 LEU 157 HB3 -0.02 -0.04 0.09 -0.04 1.64 1.63 1feaD1 LEU 157 HG -0.00 0.22 0.03 -0.04 1.64 1.86 1feaD1 LEU 157 HD13 -0.01 -0.01 -0.06 -0.04 0.93 0.81 1feaD1 LEU 157 HD23 -0.01 -0.00 -0.17 -0.04 0.89 0.66 1feaD1 ALA 158 H -0.02 0.74 0.17 -0.55 8.40 8.74 1feaD1 ALA 158 HA -0.00 0.14 0.81 -0.75 4.34 4.54 1feaD1 ALA 158 HB3 -0.01 -0.01 0.06 -0.04 1.41 1.40 1feaD1 THR 159 H 0.00 0.20 0.11 -0.55 8.28 8.04 1feaD1 THR 159 HA -0.01 0.14 0.91 -0.75 4.39 4.69 1feaD1 THR 159 HB -0.03 0.04 0.18 -0.04 4.32 4.47 1feaD1 THR 159 HG23 -0.04 0.00 -0.03 -0.04 1.22 1.11 1feaD1 GLY 160 H 0.03 -0.05 -0.03 -0.55 8.43 7.84 1feaD1 GLY 160 HA2 0.07 -0.26 0.35 -0.51 4.01 3.65 1feaD1 GLY 160 HA3 0.09 0.06 0.39 -0.51 4.01 4.04 1feaD1 SER 161 H 0.14 0.03 0.16 -0.55 8.46 8.25 1feaD1 SER 161 HA 0.16 0.24 0.96 -0.75 4.49 5.09 1feaD1 SER 161 HB2 0.14 -0.02 -0.22 -0.04 3.95 3.80 1feaD1 SER 161 HB3 0.11 -0.01 -0.34 -0.04 3.93 3.65 1feaD1 TRP 162 H 0.25 0.24 0.18 -0.55 7.97 8.09 1feaD1 TRP 162 HA 0.06 0.11 0.73 -0.75 4.62 4.77 1feaD1 TRP 162 HB2 0.06 0.03 -0.37 -0.04 3.23 2.91 1feaD1 TRP 162 HB3 0.07 0.02 -0.06 -0.04 3.23 3.21 1feaD1 TRP 162 HD1 0.11 0.02 -0.07 -0.04 7.22 7.24 1feaD1 TRP 162 HE1 0.13 -0.00 0.01 -0.04 10.20 10.30 1feaD1 TRP 162 HE3 0.08 0.12 0.22 -0.04 7.59 7.97 1feaD1 TRP 162 HZ2 0.20 0.03 0.04 -0.04 7.44 7.66 1feaD1 TRP 162 HZ3 0.13 -0.07 0.12 -0.04 7.13 7.27 1feaD1 TRP 162 HH2 0.30 0.20 0.10 -0.04 7.19 7.75 1feaD1 PRO 163 HA -0.15 0.08 0.59 -0.51 4.44 4.45 1feaD1 PRO 163 HB2 -0.42 0.07 0.09 -0.04 2.28 1.98 1feaD1 PRO 163 HB3 -0.31 -0.01 0.18 -0.04 2.02 1.83 1feaD1 PRO 163 HG2 -0.68 -0.03 0.12 -0.04 2.03 1.40 1feaD1 PRO 163 HG3 -0.41 -0.01 0.12 -0.04 2.03 1.69 1feaD1 PRO 163 HD2 -2.35 0.17 0.22 -0.04 3.68 1.67 1feaD1 PRO 163 HD3 -1.09 0.12 0.25 -0.04 3.65 2.88 1feaD1 GLN 164 H -0.05 0.53 0.41 -0.55 8.47 8.82 1feaD1 GLN 164 HA 0.16 0.11 0.65 -0.75 4.36 4.52 1feaD1 GLN 164 HB2 0.06 -0.05 -0.15 -0.04 2.15 1.97 1feaD1 GLN 164 HB3 0.01 -0.17 0.03 -0.04 2.02 1.85 1feaD1 GLN 164 HG2 0.06 0.27 -0.28 -0.04 2.40 2.41 1feaD1 GLN 164 HG3 0.09 0.00 -0.00 -0.04 2.39 2.44 1feaD1 GLN 164 HE21 0.05 -0.02 -0.08 -0.04 6.97 6.88 1feaD1 GLN 164 HE22 0.05 0.16 -0.06 -0.04 7.69 7.79 1feaD1 HIS 165 H 0.25 0.16 0.16 -0.55 8.41 8.43 1feaD1 HIS 165 HA -0.00 0.13 0.67 -0.75 4.63 4.68 1feaD1 HIS 165 HB2 0.04 0.05 0.06 -0.04 3.26 3.37 1feaD1 HIS 165 HB3 0.02 -0.16 0.13 -0.04 3.20 3.15 1feaD1 HIS 165 HD2 0.06 0.04 -0.05 -0.04 6.97 6.97 1feaD1 HIS 165 HE1 0.02 0.06 -0.07 -0.04 7.75 7.72 1feaD1 LEU 166 H 0.09 0.07 0.15 -0.55 8.37 8.14 1feaD1 LEU 166 HA 0.06 0.33 1.16 -0.75 4.35 5.14 1feaD1 LEU 166 HB2 0.03 0.10 0.06 -0.04 1.64 1.79 1feaD1 LEU 166 HB3 0.03 -0.03 -0.01 -0.04 1.64 1.59 1feaD1 LEU 166 HG 0.02 0.04 -0.19 -0.04 1.64 1.47 1feaD1 LEU 166 HD13 0.02 0.01 -0.05 -0.04 0.93 0.87 1feaD1 LEU 166 HD23 0.01 -0.04 0.02 -0.04 0.89 0.85 1feaD1 GLY 167 H 0.09 -0.07 0.07 -0.55 8.43 7.97 1feaD1 GLY 167 HA2 0.04 -0.01 0.33 -0.51 4.01 3.87 1feaD1 GLY 167 HA3 0.04 0.13 0.39 -0.51 4.01 4.06 1feaD1 ILE 168 H 0.03 0.04 0.08 -0.55 8.25 7.85 1feaD1 ILE 168 HA 0.02 0.23 0.73 -0.75 4.18 4.41 1feaD1 ILE 168 HB 0.01 0.36 0.05 -0.04 1.89 2.26 1feaD1 ILE 168 HG12 0.02 -0.22 -0.14 -0.04 1.49 1.11 1feaD1 ILE 168 HG13 0.01 0.02 -0.38 -0.04 1.21 0.82 1feaD1 ILE 168 HG23 0.02 0.01 -0.26 -0.04 0.93 0.66 1feaD1 ILE 168 HD13 -0.01 0.01 -0.45 -0.04 0.88 0.38 1feaD1 GLU 169 H 0.01 0.23 0.18 -0.55 8.60 8.48 1feaD1 GLU 169 HA 0.01 0.02 0.52 -0.75 4.29 4.09 1feaD1 GLU 169 HB2 0.01 0.05 0.20 -0.04 2.09 2.31 1feaD1 GLU 169 HB3 0.01 0.02 0.08 -0.04 1.99 2.05 1feaD1 GLU 169 HG2 0.01 -0.10 0.15 -0.04 2.34 2.36 1feaD1 GLU 169 HG3 0.01 0.03 0.08 -0.04 2.34 2.41 1feaD1 GLY 170 H 0.01 0.12 0.24 -0.55 8.43 8.25 1feaD1 GLY 170 HA2 0.01 0.04 0.34 -0.51 4.01 3.89 1feaD1 GLY 170 HA3 0.00 0.25 0.70 -0.51 4.01 4.45 1feaD1 ASP 171 H 0.02 0.52 -0.14 -0.55 8.40 8.26 1feaD1 ASP 171 HA 0.04 0.05 0.34 -0.75 4.63 4.31 1feaD1 ASP 171 HB2 0.06 -0.15 0.21 -0.04 2.71 2.78 1feaD1 ASP 171 HB3 0.05 0.06 0.18 -0.04 2.70 2.95 1feaD1 ASP 172 H 0.04 0.04 -0.21 -0.55 8.40 7.72 1feaD1 ASP 172 HA 0.07 0.15 0.47 -0.75 4.63 4.57 1feaD1 ASP 172 HB2 0.04 0.07 0.15 -0.04 2.71 2.92 1feaD1 ASP 172 HB3 0.03 -0.03 0.09 -0.04 2.70 2.74 1feaD1 LEU 173 H 0.02 0.57 -0.58 -0.55 8.37 7.84 1feaD1 LEU 173 HA 0.01 0.15 0.74 -0.75 4.35 4.50 1feaD1 LEU 173 HB2 0.00 0.11 0.02 -0.04 1.64 1.73 1feaD1 LEU 173 HB3 0.01 0.00 0.06 -0.04 1.64 1.66 1feaD1 LEU 173 HG 0.01 -0.15 -0.10 -0.04 1.64 1.36 1feaD1 LEU 173 HD13 0.01 0.01 -0.21 -0.04 0.93 0.70 1feaD1 LEU 173 HD23 0.01 0.03 -0.12 -0.04 0.89 0.77 1feaD1 CYS 174 H 0.02 0.36 -0.10 -0.55 8.50 8.23 1feaD1 CYS 174 HA -0.04 0.13 0.81 -0.75 4.58 4.72 1feaD1 CYS 174 HB2 0.00 0.18 0.22 -0.04 2.97 3.33 1feaD1 CYS 174 HB3 -0.06 -0.03 0.10 -0.04 2.97 2.95 1feaD1 ILE 175 H -0.08 0.54 0.43 -0.55 8.25 8.60 1feaD1 ILE 175 HA -0.05 0.29 1.02 -0.75 4.18 4.69 1feaD1 ILE 175 HB -0.09 -0.21 0.25 -0.04 1.89 1.80 1feaD1 ILE 175 HG12 -0.07 0.08 -0.01 -0.04 1.49 1.44 1feaD1 ILE 175 HG13 -0.10 -0.14 -0.03 -0.04 1.21 0.91 1feaD1 ILE 175 HG23 -0.02 0.05 -0.10 -0.04 0.93 0.82 1feaD1 ILE 175 HD13 -0.07 -0.00 -0.10 -0.04 0.88 0.67 1feaD1 THR 176 H -0.16 0.21 0.31 -0.55 8.28 8.10 1feaD1 THR 176 HA -0.22 0.36 0.79 -0.75 4.39 4.57 1feaD1 THR 176 HB -0.30 0.01 0.24 -0.04 4.32 4.23 1feaD1 THR 176 HG23 -0.36 0.05 -0.26 -0.04 1.22 0.61 1feaD1 SER 177 H -0.22 0.25 0.19 -0.55 8.46 8.13 1feaD1 SER 177 HA -0.51 0.06 0.37 -0.75 4.49 3.65 1feaD1 SER 177 HB2 0.30 0.10 0.03 -0.04 3.95 4.34 1feaD1 SER 177 HB3 -0.03 0.00 0.10 -0.04 3.93 3.96 1feaD1 ASN 178 H -0.26 0.00 -0.45 -0.55 8.53 7.28 1feaD1 ASN 178 HA -0.08 0.11 0.26 -0.75 4.76 4.29 1feaD1 ASN 178 HB2 -0.59 -0.03 0.07 -0.04 2.88 2.29 1feaD1 ASN 178 HB3 -1.31 0.09 -0.05 -0.04 2.79 1.48 1feaD1 ASN 178 HD21 -1.63 -0.01 0.09 -0.04 7.03 5.43 1feaD1 ASN 178 HD22 -0.96 0.06 0.04 -0.04 7.74 6.84 1feaD1 GLU 179 H -0.20 0.17 0.00 -0.55 8.60 8.02 1feaD1 GLU 179 HA 0.15 0.21 0.63 -0.75 4.29 4.53 1feaD1 GLU 179 HB2 -0.04 -0.08 0.14 -0.04 2.09 2.07 1feaD1 GLU 179 HB3 0.08 0.07 0.05 -0.04 1.99 2.15 1feaD1 GLU 179 HG2 0.05 0.10 0.03 -0.04 2.34 2.48 1feaD1 GLU 179 HG3 -0.05 0.05 -0.05 -0.04 2.34 2.25 1feaD1 ALA 180 H -0.10 0.30 -0.09 -0.55 8.40 7.97 1feaD1 ALA 180 HA 0.11 0.06 0.33 -0.75 4.34 4.09 1feaD1 ALA 180 HB3 -0.42 0.02 -0.00 -0.04 1.41 0.96 1feaD1 PHE 181 H 0.25 0.25 -0.56 -0.55 8.34 7.73 1feaD1 PHE 181 HA -0.01 0.05 0.45 -0.75 4.62 4.35 1feaD1 PHE 181 HB2 -0.05 0.17 0.01 -0.04 3.15 3.24 1feaD1 PHE 181 HB3 -0.44 0.03 0.07 -0.04 3.06 2.67 1feaD1 PHE 181 HD2 -0.05 0.36 0.06 -0.04 7.28 7.62 1feaD1 PHE 181 HE2 0.07 -0.16 -0.19 -0.04 7.38 7.06 1feaD1 PHE 181 HZ 0.08 -0.09 -0.16 -0.04 7.32 7.11 1feaD1 TYR 182 H 0.26 0.42 -0.56 -0.55 8.29 7.86 1feaD1 TYR 182 HA 0.20 0.22 0.83 -0.75 4.56 5.06 1feaD1 TYR 182 HB2 0.24 0.02 0.09 -0.04 3.06 3.37 1feaD1 TYR 182 HB3 0.20 -0.04 0.13 -0.04 2.98 3.22 1feaD1 TYR 182 HD2 0.25 0.11 0.04 -0.04 7.15 7.52 1feaD1 TYR 182 HE2 0.31 -0.02 -0.03 -0.04 6.85 7.07 1feaD1 LEU 183 H 0.36 0.13 -0.10 -0.55 8.37 8.21 1feaD1 LEU 183 HA 0.20 -0.05 0.33 -0.75 4.35 4.08 1feaD1 LEU 183 HB2 0.47 0.02 -0.02 -0.04 1.64 2.07 1feaD1 LEU 183 HB3 -0.00 0.12 -0.04 -0.04 1.64 1.68 1feaD1 LEU 183 HG 0.17 -0.05 0.04 -0.04 1.64 1.76 1feaD1 LEU 183 HD13 -0.05 0.01 0.01 -0.04 0.93 0.86 1feaD1 LEU 183 HD23 -0.01 -0.00 -0.01 -0.04 0.89 0.82 1feaD1 ASP 184 H 0.14 0.07 0.18 -0.55 8.40 8.25 1feaD1 ASP 184 HA 0.20 0.10 0.42 -0.75 4.63 4.58 1feaD1 ASP 184 HB2 0.09 -0.02 0.19 -0.04 2.71 2.93 1feaD1 ASP 184 HB3 0.07 -0.00 0.03 -0.04 2.70 2.76 1feaD1 GLU 185 H -0.01 0.16 -0.09 -0.55 8.60 8.12 1feaD1 GLU 185 HA 0.13 0.11 0.73 -0.75 4.29 4.50 1feaD1 GLU 185 HB2 -0.07 -0.02 -0.11 -0.04 2.09 1.85 1feaD1 GLU 185 HB3 -0.06 0.05 -0.01 -0.04 1.99 1.92 1feaD1 GLU 185 HG2 0.07 -0.00 -0.05 -0.04 2.34 2.32 1feaD1 GLU 185 HG3 0.09 0.04 -0.72 -0.04 2.34 1.71 1feaD1 ALA 186 H -0.40 0.07 0.08 -0.55 8.40 7.60 1feaD1 ALA 186 HA -1.67 0.06 0.27 -0.75 4.34 2.25 1feaD1 ALA 186 HB3 -0.24 0.01 -0.04 -0.04 1.41 1.09 1feaD1 PRO 187 HA -0.26 0.06 0.50 -0.51 4.44 4.22 1feaD1 PRO 187 HB2 -0.33 0.03 -0.25 -0.04 2.28 1.70 1feaD1 PRO 187 HB3 -0.37 -0.00 0.01 -0.04 2.02 1.61 1feaD1 PRO 187 HG2 -0.88 0.05 -0.01 -0.04 2.03 1.15 1feaD1 PRO 187 HG3 -1.25 -0.04 -0.01 -0.04 2.03 0.68 1feaD1 PRO 187 HD2 -0.98 0.05 0.15 -0.04 3.68 2.86 1feaD1 PRO 187 HD3 -0.70 0.16 0.12 -0.04 3.65 3.20 1feaD1 LYS 188 H -0.12 0.06 0.21 -0.55 8.42 8.02 1feaD1 LYS 188 HA -0.06 0.08 0.78 -0.75 4.32 4.36 1feaD1 LYS 188 HB2 -0.05 0.01 0.14 -0.04 1.87 1.92 1feaD1 LYS 188 HB3 -0.05 -0.06 0.11 -0.04 1.79 1.76 1feaD1 LYS 188 HG2 -0.03 -0.02 -0.05 -0.04 1.46 1.32 1feaD1 LYS 188 HG3 -0.03 -0.01 -0.03 -0.04 1.46 1.35 1feaD1 LYS 188 HD2 -0.03 -0.08 -0.07 -0.04 1.69 1.48 1feaD1 LYS 188 HD3 -0.02 0.12 -0.20 -0.04 1.68 1.54 1feaD1 LYS 188 HE2 -0.02 -0.07 -0.00 -0.04 2.99 2.86 1feaD1 LYS 188 HE3 -0.02 -0.03 -0.03 -0.04 2.99 2.87 1feaD1 ARG 189 H -0.05 -0.01 0.19 -0.55 8.46 8.04 1feaD1 ARG 189 HA 0.03 0.44 1.04 -0.75 4.34 5.10 1feaD1 ARG 189 HB2 -0.00 -0.25 0.29 -0.04 1.90 1.90 1feaD1 ARG 189 HB3 0.08 0.09 0.11 -0.04 1.80 2.04 1feaD1 ARG 189 HG2 -0.01 0.09 0.11 -0.04 1.67 1.82 1feaD1 ARG 189 HG3 -0.03 -0.05 -0.06 -0.04 1.67 1.49 1feaD1 ARG 189 HD2 -0.08 0.02 0.03 -0.04 3.22 3.15 1feaD1 ARG 189 HD3 -0.11 -0.07 0.03 -0.04 3.22 3.02 1feaD1 ALA 190 H 0.08 0.69 0.40 -0.55 8.40 9.02 1feaD1 ALA 190 HA -0.06 0.23 1.04 -0.75 4.34 4.79 1feaD1 ALA 190 HB3 -0.19 -0.01 -0.08 -0.04 1.41 1.09 1feaD1 LEU 191 H -0.28 0.44 0.23 -0.55 8.37 8.21 1feaD1 LEU 191 HA -0.22 0.26 0.87 -0.75 4.35 4.51 1feaD1 LEU 191 HB2 -1.72 0.05 -0.10 -0.04 1.64 -0.17 1feaD1 LEU 191 HB3 -0.62 -0.04 0.17 -0.04 1.64 1.11 1feaD1 LEU 191 HG -0.14 -0.04 -0.42 -0.04 1.64 1.00 1feaD1 LEU 191 HD13 -0.01 0.03 -0.25 -0.04 0.93 0.65 1feaD1 LEU 191 HD23 -0.07 -0.01 -0.18 -0.04 0.89 0.59 1feaD1 CYS 192 H -0.02 0.80 0.28 -0.55 8.50 9.01 1feaD1 CYS 192 HA -0.01 0.11 0.96 -0.75 4.58 4.89 1feaD1 CYS 192 HB2 0.02 0.02 0.17 -0.04 2.97 3.14 1feaD1 CYS 192 HB3 0.02 -0.04 0.01 -0.04 2.97 2.91 1feaD1 VAL 193 H -0.04 0.83 0.26 -0.55 8.24 8.74 1feaD1 VAL 193 HA 0.02 0.21 0.89 -0.75 4.13 4.51 1feaD1 VAL 193 HB -0.03 -0.16 0.23 -0.04 2.12 2.13 1feaD1 VAL 193 HG13 0.05 -0.01 -0.03 -0.04 0.97 0.94 1feaD1 VAL 193 HG23 -0.03 0.05 -0.14 -0.04 0.95 0.79 1feaD1 GLY 194 H 0.07 0.88 0.40 -0.55 8.43 9.23 1feaD1 GLY 194 HA2 0.09 -0.07 0.39 -0.51 4.01 3.92 1feaD1 GLY 194 HA3 -0.02 0.26 0.83 -0.51 4.01 4.57 1feaD1 GLY 195 H -0.21 0.12 0.26 -0.55 8.43 8.05 1feaD1 GLY 195 HA2 -0.48 0.31 0.80 -0.51 4.01 4.12 1feaD1 GLY 195 HA3 -1.40 -0.03 0.34 -0.51 4.01 2.42 1feaD1 GLY 196 H -0.15 0.12 0.10 -0.55 8.43 7.96 1feaD1 GLY 196 HA2 -0.06 0.15 0.63 -0.51 4.01 4.21 1feaD1 GLY 196 HA3 -0.05 0.05 0.36 -0.51 4.01 3.87 1feaD1 TYR 197 H 0.23 0.21 0.13 -0.55 8.29 8.31 1feaD1 TYR 197 HA -0.11 0.12 0.24 -0.75 4.56 4.05 1feaD1 TYR 197 HB2 -0.04 0.02 0.11 -0.04 3.06 3.11 1feaD1 TYR 197 HB3 -0.01 0.05 0.14 -0.04 2.98 3.12 1feaD1 TYR 197 HD2 0.06 -0.01 -0.08 -0.04 7.15 7.09 1feaD1 TYR 197 HE2 0.08 0.02 -0.01 -0.04 6.85 6.90 1feaD1 ILE 198 H -0.55 0.06 -0.29 -0.55 8.25 6.92 1feaD1 ILE 198 HA -0.14 0.13 0.51 -0.75 4.18 3.93 1feaD1 ILE 198 HB -0.26 0.01 0.03 -0.04 1.89 1.62 1feaD1 ILE 198 HG12 -0.57 0.05 -0.05 -0.04 1.49 0.88 1feaD1 ILE 198 HG13 -1.66 -0.10 -0.01 -0.04 1.21 -0.61 1feaD1 ILE 198 HG23 0.05 0.02 -0.05 -0.04 0.93 0.90 1feaD1 ILE 198 HD13 -0.24 0.01 -0.03 -0.04 0.88 0.58 1feaD1 SER 199 H -0.12 0.11 -0.21 -0.55 8.46 7.70 1feaD1 SER 199 HA -0.01 0.04 0.20 -0.75 4.49 3.96 1feaD1 SER 199 HB2 -0.07 0.01 -0.14 -0.04 3.95 3.71 1feaD1 SER 199 HB3 -0.09 0.04 -0.22 -0.04 3.93 3.62 1feaD1 ILE 200 H -0.06 0.33 -0.46 -0.55 8.25 7.52 1feaD1 ILE 200 HA -0.04 0.09 0.07 -0.75 4.18 3.55 1feaD1 ILE 200 HB -0.05 -0.01 -0.13 -0.04 1.89 1.66 1feaD1 ILE 200 HG12 -0.08 0.04 -0.19 -0.04 1.49 1.21 1feaD1 ILE 200 HG13 -0.10 0.01 -0.26 -0.04 1.21 0.82 1feaD1 ILE 200 HG23 -0.07 0.00 -0.21 -0.04 0.93 0.62 1feaD1 ILE 200 HD13 -0.15 -0.03 -0.24 -0.04 0.88 0.42 1feaD1 GLU 201 H -0.03 0.34 -0.28 -0.55 8.60 8.09 1feaD1 GLU 201 HA -0.06 0.13 0.42 -0.75 4.29 4.02 1feaD1 GLU 201 HB2 -0.06 -0.02 0.16 -0.04 2.09 2.13 1feaD1 GLU 201 HB3 -0.16 0.03 -0.01 -0.04 1.99 1.82 1feaD1 GLU 201 HG2 0.06 0.15 -0.38 -0.04 2.34 2.13 1feaD1 GLU 201 HG3 0.06 0.03 -0.09 -0.04 2.34 2.30 1feaD1 PHE 202 H -0.02 0.46 -0.24 -0.55 8.34 7.99 1feaD1 PHE 202 HA -0.37 0.03 0.14 -0.75 4.62 3.67 1feaD1 PHE 202 HB2 -0.22 0.16 0.07 -0.04 3.15 3.12 1feaD1 PHE 202 HB3 -0.48 -0.01 -0.09 -0.04 3.06 2.43 1feaD1 PHE 202 HD2 -0.71 0.03 -0.03 -0.04 7.28 6.53 1feaD1 PHE 202 HE2 -0.33 0.03 -0.11 -0.04 7.38 6.93 1feaD1 PHE 202 HZ -1.84 0.05 -0.14 -0.04 7.32 5.35 1feaD1 ALA 203 H 0.00 0.39 -0.29 -0.55 8.40 7.95 1feaD1 ALA 203 HA 0.13 -0.02 0.26 -0.75 4.34 3.96 1feaD1 ALA 203 HB3 0.03 0.03 -0.03 -0.04 1.41 1.40 1feaD1 GLY 204 H -0.04 0.40 -0.30 -0.55 8.43 7.95 1feaD1 GLY 204 HA2 0.02 0.08 0.34 -0.51 4.01 3.95 1feaD1 GLY 204 HA3 -0.01 0.03 0.26 -0.51 4.01 3.77 1feaD1 ILE 205 H -0.12 0.29 -0.29 -0.55 8.25 7.59 1feaD1 ILE 205 HA 0.10 0.04 0.41 -0.75 4.18 3.98 1feaD1 ILE 205 HB -0.32 0.01 0.15 -0.04 1.89 1.69 1feaD1 ILE 205 HG12 -0.42 0.25 -0.12 -0.04 1.49 1.16 1feaD1 ILE 205 HG13 -0.84 -0.11 -0.13 -0.04 1.21 0.09 1feaD1 ILE 205 HG23 0.15 -0.00 -0.15 -0.04 0.93 0.89 1feaD1 ILE 205 HD13 -0.22 -0.01 -0.26 -0.04 0.88 0.35 1feaD1 PHE 206 H -0.06 0.55 0.04 -0.55 8.34 8.31 1feaD1 PHE 206 HA 0.07 -0.03 0.31 -0.75 4.62 4.22 1feaD1 PHE 206 HB2 0.05 0.06 0.05 -0.04 3.15 3.27 1feaD1 PHE 206 HB3 -0.01 0.01 -0.05 -0.04 3.06 2.96 1feaD1 PHE 206 HD2 -0.02 -0.01 -0.12 -0.04 7.28 7.09 1feaD1 PHE 206 HE2 -0.04 -0.02 -0.08 -0.04 7.38 7.20 1feaD1 PHE 206 HZ -0.14 -0.08 -0.04 -0.04 7.32 7.01 1feaD1 ASN 207 H 0.17 0.41 -0.54 -0.55 8.53 8.02 1feaD1 ASN 207 HA 0.09 0.01 0.24 -0.75 4.76 4.35 1feaD1 ASN 207 HB2 0.08 0.00 0.04 -0.04 2.88 2.96 1feaD1 ASN 207 HB3 0.06 0.06 0.07 -0.04 2.79 2.94 1feaD1 ASN 207 HD21 0.00 0.34 -0.08 -0.04 7.03 7.25 1feaD1 ASN 207 HD22 0.02 -0.07 -0.08 -0.04 7.74 7.58 1feaD1 ALA 208 H 0.14 0.42 -0.13 -0.55 8.40 8.29 1feaD1 ALA 208 HA -0.01 0.10 0.70 -0.75 4.34 4.37 1feaD1 ALA 208 HB3 -0.01 -0.03 0.18 -0.04 1.41 1.51 1feaD1 TYR 209 H 0.34 0.40 -0.10 -0.55 8.29 8.38 1feaD1 TYR 209 HA 0.14 0.14 0.71 -0.75 4.56 4.80 1feaD1 TYR 209 HB2 0.36 0.06 -0.03 -0.04 3.06 3.41 1feaD1 TYR 209 HB3 0.35 -0.15 0.01 -0.04 2.98 3.16 1feaD1 TYR 209 HD2 0.29 0.05 -0.11 -0.04 7.15 7.33 1feaD1 TYR 209 HE2 0.10 -0.07 -0.20 -0.04 6.85 6.63 1feaD1 LYS 210 H 0.11 0.27 -0.24 -0.55 8.42 8.00 1feaD1 LYS 210 HA -0.01 0.02 0.32 -0.75 4.32 3.90 1feaD1 LYS 210 HB2 -0.01 -0.02 0.13 -0.04 1.87 1.93 1feaD1 LYS 210 HB3 0.03 0.09 0.03 -0.04 1.79 1.90 1feaD1 LYS 210 HG2 0.03 0.12 -0.10 -0.04 1.46 1.48 1feaD1 LYS 210 HG3 0.01 0.08 -0.38 -0.04 1.46 1.13 1feaD1 LYS 210 HD2 0.01 -0.11 -0.38 -0.04 1.69 1.17 1feaD1 LYS 210 HD3 0.03 -0.12 -0.24 -0.04 1.68 1.31 1feaD1 LYS 210 HE2 0.01 -0.10 -0.10 -0.04 2.99 2.76 1feaD1 LYS 210 HE3 0.01 0.05 -0.20 -0.04 2.99 2.81 1feaD1 ALA 211 H -0.02 0.03 0.12 -0.55 8.40 7.98 1feaD1 ALA 211 HA 0.02 0.10 0.42 -0.75 4.34 4.12 1feaD1 ALA 211 HB3 -0.01 -0.03 0.11 -0.04 1.41 1.44 1feaD1 ARG 212 H 0.01 0.06 0.18 -0.55 8.46 8.15 1feaD1 ARG 212 HA 0.00 0.11 0.44 -0.75 4.34 4.14 1feaD1 ARG 212 HB2 0.01 -0.03 0.21 -0.04 1.90 2.05 1feaD1 ARG 212 HB3 0.00 -0.02 0.03 -0.04 1.80 1.78 1feaD1 ARG 212 HG2 0.00 -0.02 0.13 -0.04 1.67 1.74 1feaD1 ARG 212 HG3 0.01 0.09 0.10 -0.04 1.67 1.82 1feaD1 ARG 212 HD2 0.01 -0.05 0.04 -0.04 3.22 3.17 1feaD1 ARG 212 HD3 0.01 -0.01 0.05 -0.04 3.22 3.23 1feaD1 GLY 213 H 0.00 0.17 0.22 -0.55 8.43 8.28 1feaD1 GLY 213 HA2 -0.00 -0.00 0.38 -0.51 4.01 3.88 1feaD1 GLY 213 HA3 -0.01 0.01 0.44 -0.51 4.01 3.95 1feaD1 GLY 214 H -0.00 0.37 -0.27 -0.55 8.43 7.98 1feaD1 GLY 214 HA2 -0.01 -0.09 0.47 -0.51 4.01 3.86 1feaD1 GLY 214 HA3 -0.01 0.20 0.37 -0.51 4.01 4.06 1feaD1 GLN 215 H 0.01 0.43 0.49 -0.55 8.47 8.85 1feaD1 GLN 215 HA 0.02 0.22 0.85 -0.75 4.36 4.69 1feaD1 GLN 215 HB2 0.01 0.12 -0.23 -0.04 2.15 2.01 1feaD1 GLN 215 HB3 0.03 -0.14 0.06 -0.04 2.02 1.93 1feaD1 GLN 215 HG2 0.04 -0.08 -0.08 -0.04 2.40 2.23 1feaD1 GLN 215 HG3 0.07 -0.05 -0.36 -0.04 2.39 2.01 1feaD1 GLN 215 HE21 0.00 0.06 0.08 -0.04 6.97 7.07 1feaD1 GLN 215 HE22 0.01 0.02 0.00 -0.04 7.69 7.68 1feaD1 VAL 216 H 0.04 0.35 0.15 -0.55 8.24 8.24 1feaD1 VAL 216 HA 0.07 0.11 0.87 -0.75 4.13 4.43 1feaD1 VAL 216 HB 0.06 0.01 0.07 -0.04 2.12 2.22 1feaD1 VAL 216 HG13 0.12 -0.02 -0.07 -0.04 0.97 0.96 1feaD1 VAL 216 HG23 0.10 0.01 -0.30 -0.04 0.95 0.72 1feaD1 ASP 217 H 0.07 0.82 0.40 -0.55 8.40 9.15 1feaD1 ASP 217 HA 0.04 0.23 0.88 -0.75 4.63 5.02 1feaD1 ASP 217 HB2 0.10 -0.06 0.07 -0.04 2.71 2.78 1feaD1 ASP 217 HB3 0.06 -0.02 -0.09 -0.04 2.70 2.61 1feaD1 LEU 218 H 0.00 0.72 0.17 -0.55 8.37 8.72 1feaD1 LEU 218 HA 0.00 0.16 0.93 -0.75 4.35 4.69 1feaD1 LEU 218 HB2 0.00 -0.02 -0.29 -0.04 1.64 1.30 1feaD1 LEU 218 HB3 -0.00 -0.10 0.04 -0.04 1.64 1.54 1feaD1 LEU 218 HG -0.01 0.01 -0.09 -0.04 1.64 1.52 1feaD1 LEU 218 HD13 -0.03 -0.03 -0.19 -0.04 0.93 0.64 1feaD1 LEU 218 HD23 -0.02 0.01 -0.16 -0.04 0.89 0.67 1feaD1 ALA 219 H 0.02 0.52 0.20 -0.55 8.40 8.59 1feaD1 ALA 219 HA -0.02 0.38 1.08 -0.75 4.34 5.02 1feaD1 ALA 219 HB3 0.04 -0.02 -0.13 -0.04 1.41 1.26 1feaD1 TYR 220 H 0.06 0.66 0.26 -0.55 8.29 8.71 1feaD1 TYR 220 HA -0.02 -0.04 0.77 -0.75 4.56 4.51 1feaD1 TYR 220 HB2 -0.03 0.11 -0.32 -0.04 3.06 2.78 1feaD1 TYR 220 HB3 -0.04 0.08 -0.06 -0.04 2.98 2.92 1feaD1 TYR 220 HD2 -0.03 0.05 -0.20 -0.04 7.15 6.93 1feaD1 TYR 220 HE2 -0.02 0.16 -0.03 -0.04 6.85 6.92 1feaD1 ARG 221 H -0.18 0.05 0.15 -0.55 8.46 7.91 1feaD1 ARG 221 HA -0.20 0.13 0.35 -0.75 4.34 3.87 1feaD1 ARG 221 HB2 -0.12 -0.02 0.15 -0.04 1.90 1.87 1feaD1 ARG 221 HB3 -0.30 -0.04 0.07 -0.04 1.80 1.49 1feaD1 ARG 221 HG2 -0.14 0.03 -0.01 -0.04 1.67 1.50 1feaD1 ARG 221 HG3 -0.07 0.02 -0.06 -0.04 1.67 1.52 1feaD1 ARG 221 HD2 -0.04 0.05 -0.03 -0.04 3.22 3.16 1feaD1 ARG 221 HD3 -0.04 0.00 0.00 -0.04 3.22 3.14 1feaD1 GLY 222 H -2.22 -0.08 -0.15 -0.55 8.43 5.43 1feaD1 GLY 222 HA2 -0.46 0.14 0.27 -0.51 4.01 3.45 1feaD1 GLY 222 HA3 -0.64 -0.03 0.27 -0.51 4.01 3.11 1feaD1 ASP 223 H -0.16 0.10 0.14 -0.55 8.40 7.93 1feaD1 ASP 223 HA -0.23 0.21 0.67 -0.75 4.63 4.52 1feaD1 ASP 223 HB2 0.15 0.05 0.05 -0.04 2.71 2.92 1feaD1 ASP 223 HB3 0.05 0.05 0.06 -0.04 2.70 2.82 1feaD1 MET 224 H 0.13 0.14 -0.05 -0.55 8.47 8.14 1feaD1 MET 224 HA 0.10 0.13 0.45 -0.75 4.52 4.43 1feaD1 MET 224 HB2 0.06 0.05 -0.27 -0.04 2.15 1.95 1feaD1 MET 224 HB3 0.06 -0.06 -0.06 -0.04 2.03 1.93 1feaD1 MET 224 HG2 0.02 0.10 -0.12 -0.04 2.63 2.59 1feaD1 MET 224 HG3 0.04 0.04 0.05 -0.04 2.56 2.65 1feaD1 MET 224 HE3 0.04 -0.03 -0.07 -0.04 2.10 2.00 1feaD1 ILE 225 H 0.03 0.19 0.00 -0.55 8.25 7.92 1feaD1 ILE 225 HA -0.38 -0.06 0.45 -0.75 4.18 3.44 1feaD1 ILE 225 HB -0.21 0.14 0.07 -0.04 1.89 1.85 1feaD1 ILE 225 HG12 -0.05 -0.01 -0.00 -0.04 1.49 1.39 1feaD1 ILE 225 HG13 -0.11 -0.01 -0.34 -0.04 1.21 0.71 1feaD1 ILE 225 HG23 -0.07 0.00 -0.07 -0.04 0.93 0.75 1feaD1 ILE 225 HD13 -0.07 0.01 -0.12 -0.04 0.88 0.66 1feaD1 LEU 226 H -0.24 0.43 0.18 -0.55 8.37 8.19 1feaD1 LEU 226 HA -0.06 -0.04 0.34 -0.75 4.35 3.84 1feaD1 LEU 226 HB2 -0.16 0.22 -0.09 -0.04 1.64 1.57 1feaD1 LEU 226 HB3 -0.30 -0.09 0.11 -0.04 1.64 1.32 1feaD1 LEU 226 HG -0.26 0.05 -0.19 -0.04 1.64 1.21 1feaD1 LEU 226 HD13 -0.78 -0.01 -0.12 -0.04 0.93 -0.01 1feaD1 LEU 226 HD23 -0.38 -0.01 -0.01 -0.04 0.89 0.45 1feaD1 ARG 227 H 0.02 0.01 -0.04 -0.55 8.46 7.90 1feaD1 ARG 227 HA 0.10 0.08 0.44 -0.75 4.34 4.21 1feaD1 ARG 227 HB2 0.13 0.05 0.10 -0.04 1.90 2.13 1feaD1 ARG 227 HB3 0.10 -0.05 0.10 -0.04 1.80 1.92 1feaD1 ARG 227 HG2 0.08 0.02 -0.07 -0.04 1.67 1.66 1feaD1 ARG 227 HG3 0.08 0.02 0.05 -0.04 1.67 1.78 1feaD1 ARG 227 HD2 0.09 -0.01 0.01 -0.04 3.22 3.26 1feaD1 ARG 227 HD3 0.07 0.05 0.00 -0.04 3.22 3.30 1feaD1 GLY 228 H 0.09 0.17 0.13 -0.55 8.43 8.26 1feaD1 GLY 228 HA2 0.01 -0.01 0.31 -0.51 4.01 3.82 1feaD1 GLY 228 HA3 0.03 0.18 0.69 -0.51 4.01 4.40 1feaD1 PHE 229 H 0.32 0.48 -0.25 -0.55 8.34 8.33 1feaD1 PHE 229 HA -0.01 0.18 0.85 -0.75 4.62 4.89 1feaD1 PHE 229 HB2 -0.02 0.23 -0.06 -0.04 3.15 3.26 1feaD1 PHE 229 HB3 -0.03 -0.08 -0.05 -0.04 3.06 2.86 1feaD1 PHE 229 HD2 -0.00 0.05 -0.25 -0.04 7.28 7.04 1feaD1 PHE 229 HE2 -0.01 -0.02 -0.15 -0.04 7.38 7.15 1feaD1 PHE 229 HZ -0.06 -0.04 -0.14 -0.04 7.32 7.04 1feaD1 ASP 230 H 0.02 0.18 0.08 -0.55 8.40 8.13 1feaD1 ASP 230 HA -0.16 -0.02 0.32 -0.75 4.63 4.01 1feaD1 ASP 230 HB2 -0.56 0.12 0.11 -0.04 2.71 2.34 1feaD1 ASP 230 HB3 -0.06 -0.03 0.14 -0.04 2.70 2.71 1feaD1 SER 231 H -0.01 0.12 0.22 -0.55 8.46 8.24 1feaD1 SER 231 HA 0.03 0.14 0.22 -0.75 4.49 4.13 1feaD1 SER 231 HB2 0.03 0.08 0.03 -0.04 3.95 4.04 1feaD1 SER 231 HB3 0.03 0.05 0.12 -0.04 3.93 4.09 1feaD1 GLU 232 H 0.01 0.02 -0.32 -0.55 8.60 7.76 1feaD1 GLU 232 HA 0.02 0.15 0.40 -0.75 4.29 4.11 1feaD1 GLU 232 HB2 0.05 -0.04 0.02 -0.04 2.09 2.08 1feaD1 GLU 232 HB3 0.02 0.01 -0.07 -0.04 1.99 1.92 1feaD1 GLU 232 HG2 0.06 0.04 -0.06 -0.04 2.34 2.34 1feaD1 GLU 232 HG3 0.03 0.04 -0.09 -0.04 2.34 2.28 1feaD1 LEU 233 H -0.00 0.23 -0.17 -0.55 8.37 7.88 1feaD1 LEU 233 HA -0.02 0.12 0.45 -0.75 4.35 4.14 1feaD1 LEU 233 HB2 0.01 0.04 0.08 -0.04 1.64 1.73 1feaD1 LEU 233 HB3 -0.02 0.01 -0.17 -0.04 1.64 1.42 1feaD1 LEU 233 HG -0.05 0.03 -0.14 -0.04 1.64 1.44 1feaD1 LEU 233 HD13 -0.01 0.02 -0.16 -0.04 0.93 0.74 1feaD1 LEU 233 HD23 0.06 -0.02 -0.25 -0.04 0.89 0.63 1feaD1 ARG 234 H 0.00 0.42 -0.26 -0.55 8.46 8.08 1feaD1 ARG 234 HA -0.05 0.01 0.32 -0.75 4.34 3.86 1feaD1 ARG 234 HB2 0.02 0.16 0.02 -0.04 1.90 2.05 1feaD1 ARG 234 HB3 0.01 -0.00 -0.19 -0.04 1.80 1.57 1feaD1 ARG 234 HG2 -0.01 0.17 -0.04 -0.04 1.67 1.74 1feaD1 ARG 234 HG3 0.04 -0.11 -0.29 -0.04 1.67 1.27 1feaD1 ARG 234 HD2 0.10 0.11 -0.21 -0.04 3.22 3.17 1feaD1 ARG 234 HD3 0.04 -0.14 -0.13 -0.04 3.22 2.96 1feaD1 LYS 235 H 0.00 0.34 -0.30 -0.55 8.42 7.91 1feaD1 LYS 235 HA 0.00 0.08 0.68 -0.75 4.32 4.33 1feaD1 LYS 235 HB2 0.01 0.09 0.07 -0.04 1.87 2.00 1feaD1 LYS 235 HB3 0.01 0.00 0.04 -0.04 1.79 1.80 1feaD1 LYS 235 HG2 0.02 -0.02 0.00 -0.04 1.46 1.42 1feaD1 LYS 235 HG3 0.01 0.22 0.09 -0.04 1.46 1.74 1feaD1 LYS 235 HD2 0.02 -0.05 -0.05 -0.04 1.69 1.57 1feaD1 LYS 235 HD3 0.02 0.01 -0.02 -0.04 1.68 1.64 1feaD1 LYS 235 HE2 0.02 0.01 -0.05 -0.04 2.99 2.94 1feaD1 LYS 235 HE3 0.02 -0.02 -0.09 -0.04 2.99 2.86 1feaD1 GLN 236 H -0.01 0.26 -0.29 -0.55 8.47 7.88 1feaD1 GLN 236 HA -0.01 0.09 0.50 -0.75 4.36 4.20 1feaD1 GLN 236 HB2 -0.01 0.04 0.10 -0.04 2.15 2.24 1feaD1 GLN 236 HB3 -0.03 0.00 0.17 -0.04 2.02 2.12 1feaD1 GLN 236 HG2 -0.04 0.01 -0.06 -0.04 2.40 2.26 1feaD1 GLN 236 HG3 -0.03 0.01 -0.25 -0.04 2.39 2.07 1feaD1 GLN 236 HE21 0.01 0.02 -0.02 -0.04 6.97 6.93 1feaD1 GLN 236 HE22 0.00 -0.01 -0.02 -0.04 7.69 7.62 1feaD1 LEU 237 H -0.04 0.87 0.07 -0.55 8.37 8.72 1feaD1 LEU 237 HA -0.04 0.07 0.34 -0.75 4.35 3.96 1feaD1 LEU 237 HB2 -0.08 0.15 0.06 -0.04 1.64 1.74 1feaD1 LEU 237 HB3 -0.07 -0.00 -0.04 -0.04 1.64 1.48 1feaD1 LEU 237 HG -0.12 -0.07 -0.11 -0.04 1.64 1.31 1feaD1 LEU 237 HD13 -0.11 -0.03 -0.19 -0.04 0.93 0.57 1feaD1 LEU 237 HD23 -0.06 0.03 -0.09 -0.04 0.89 0.72 1feaD1 THR 238 H -0.03 0.34 -0.49 -0.55 8.28 7.55 1feaD1 THR 238 HA -0.03 -0.03 0.29 -0.75 4.39 3.86 1feaD1 THR 238 HB -0.01 0.16 0.14 -0.04 4.32 4.56 1feaD1 THR 238 HG23 -0.01 -0.01 -0.05 -0.04 1.22 1.11 1feaD1 GLU 239 H -0.02 0.40 -0.26 -0.55 8.60 8.18 1feaD1 GLU 239 HA -0.03 0.00 0.34 -0.75 4.29 3.84 1feaD1 GLU 239 HB2 -0.01 0.15 0.24 -0.04 2.09 2.44 1feaD1 GLU 239 HB3 -0.00 0.01 0.04 -0.04 1.99 2.00 1feaD1 GLU 239 HG2 -0.00 -0.02 0.05 -0.04 2.34 2.32 1feaD1 GLU 239 HG3 -0.01 -0.01 0.08 -0.04 2.34 2.35 1feaD1 GLN 240 H -0.01 0.48 -0.25 -0.55 8.47 8.14 1feaD1 GLN 240 HA -0.04 0.06 0.61 -0.75 4.36 4.24 1feaD1 GLN 240 HB2 0.02 0.04 0.10 -0.04 2.15 2.27 1feaD1 GLN 240 HB3 0.14 -0.04 0.07 -0.04 2.02 2.15 1feaD1 GLN 240 HG2 0.20 0.09 0.01 -0.04 2.40 2.66 1feaD1 GLN 240 HG3 0.04 0.06 0.00 -0.04 2.39 2.45 1feaD1 GLN 240 HE21 -0.05 0.20 0.04 -0.04 6.97 7.11 1feaD1 GLN 240 HE22 -0.02 -0.05 -0.05 -0.04 7.69 7.53 1feaD1 LEU 241 H -0.04 0.45 -0.14 -0.55 8.37 8.09 1feaD1 LEU 241 HA -0.04 0.10 0.58 -0.75 4.35 4.23 1feaD1 LEU 241 HB2 -0.04 0.10 0.17 -0.04 1.64 1.83 1feaD1 LEU 241 HB3 -0.03 -0.09 -0.04 -0.04 1.64 1.44 1feaD1 LEU 241 HG -0.04 0.21 -0.16 -0.04 1.64 1.61 1feaD1 LEU 241 HD13 -0.05 -0.05 -0.15 -0.04 0.93 0.64 1feaD1 LEU 241 HD23 -0.03 0.01 -0.08 -0.04 0.89 0.75 1feaD1 ARG 242 H -0.06 0.58 0.08 -0.55 8.46 8.51 1feaD1 ARG 242 HA -0.05 0.42 0.45 -0.75 4.34 4.40 1feaD1 ARG 242 HB2 -0.07 0.09 0.10 -0.04 1.90 1.97 1feaD1 ARG 242 HB3 -0.05 -0.02 0.08 -0.04 1.80 1.77 1feaD1 ARG 242 HG2 -0.03 -0.13 0.11 -0.04 1.67 1.59 1feaD1 ARG 242 HG3 -0.04 0.36 0.12 -0.04 1.67 2.07 1feaD1 ARG 242 HD2 -0.02 -0.04 -0.04 -0.04 3.22 3.07 1feaD1 ARG 242 HD3 -0.03 0.01 0.03 -0.04 3.22 3.19 1feaD1 ALA 243 H -0.17 0.28 -0.41 -0.55 8.40 7.55 1feaD1 ALA 243 HA -0.24 0.02 0.38 -0.75 4.34 3.75 1feaD1 ALA 243 HB3 -0.65 0.02 0.13 -0.04 1.41 0.87 1feaD1 ASN 244 H -0.20 0.32 -0.53 -0.55 8.53 7.58 1feaD1 ASN 244 HA -0.15 0.11 0.69 -0.75 4.76 4.65 1feaD1 ASN 244 HB2 -0.07 0.11 0.14 -0.04 2.88 3.02 1feaD1 ASN 244 HB3 -0.04 -0.06 0.10 -0.04 2.79 2.76 1feaD1 ASN 244 HD21 0.03 -0.06 0.01 -0.04 7.03 6.97 1feaD1 ASN 244 HD22 0.02 -0.02 0.02 -0.04 7.74 7.72 1feaD1 GLY 245 H -0.10 0.57 -0.41 -0.55 8.43 7.94 1feaD1 GLY 245 HA2 -0.04 -0.01 0.31 -0.51 4.01 3.76 1feaD1 GLY 245 HA3 -0.03 0.15 0.79 -0.51 4.01 4.41 1feaD1 ILE 246 H -0.03 0.28 -0.15 -0.55 8.25 7.80 1feaD1 ILE 246 HA 0.01 0.12 0.54 -0.75 4.18 4.09 1feaD1 ILE 246 HB -0.02 -0.03 -0.14 -0.04 1.89 1.67 1feaD1 ILE 246 HG12 0.03 -0.02 -0.12 -0.04 1.49 1.34 1feaD1 ILE 246 HG13 0.00 0.10 -0.15 -0.04 1.21 1.12 1feaD1 ILE 246 HG23 0.01 -0.05 -0.38 -0.04 0.93 0.47 1feaD1 ILE 246 HD13 0.00 -0.02 -0.19 -0.04 0.88 0.64 1feaD1 ASN 247 H 0.01 0.61 0.26 -0.55 8.53 8.87 1feaD1 ASN 247 HA -0.01 0.16 0.77 -0.75 4.76 4.92 1feaD1 ASN 247 HB2 0.01 0.13 0.11 -0.04 2.88 3.09 1feaD1 ASN 247 HB3 0.03 -0.09 0.37 -0.04 2.79 3.06 1feaD1 ASN 247 HD21 -0.00 -0.02 -0.05 -0.04 7.03 6.92 1feaD1 ASN 247 HD22 0.03 -0.02 -0.01 -0.04 7.74 7.70 1feaD1 VAL 248 H -0.02 0.26 -0.04 -0.55 8.24 7.89 1feaD1 VAL 248 HA -0.01 0.05 0.60 -0.75 4.13 4.03 1feaD1 VAL 248 HB -0.01 0.03 0.10 -0.04 2.12 2.20 1feaD1 VAL 248 HG13 0.01 -0.03 -0.15 -0.04 0.97 0.76 1feaD1 VAL 248 HG23 -0.02 0.01 -0.10 -0.04 0.95 0.80 1feaD1 ARG 249 H -0.02 0.81 0.34 -0.55 8.46 9.05 1feaD1 ARG 249 HA -0.04 0.17 0.80 -0.75 4.34 4.52 1feaD1 ARG 249 HB2 -0.13 -0.06 0.23 -0.04 1.90 1.90 1feaD1 ARG 249 HB3 -0.17 -0.00 -0.02 -0.04 1.80 1.58 1feaD1 ARG 249 HG2 -0.11 0.01 -0.06 -0.04 1.67 1.46 1feaD1 ARG 249 HG3 -0.05 0.08 -0.35 -0.04 1.67 1.31 1feaD1 ARG 249 HD2 -0.04 -0.01 -0.09 -0.04 3.22 3.04 1feaD1 ARG 249 HD3 -0.26 -0.11 -0.13 -0.04 3.22 2.68 1feaD1 THR 250 H 0.03 0.18 -0.02 -0.55 8.28 7.93 1feaD1 THR 250 HA 0.04 0.06 0.76 -0.75 4.39 4.51 1feaD1 THR 250 HB 0.07 0.12 0.07 -0.04 4.32 4.54 1feaD1 THR 250 HG23 0.10 -0.03 -0.23 -0.04 1.22 1.01 1feaD1 HIS 251 H -0.21 0.56 0.13 -0.55 8.41 8.34 1feaD1 HIS 251 HA -0.11 0.24 0.38 -0.75 4.63 4.39 1feaD1 HIS 251 HB2 -0.05 0.26 -0.14 -0.04 3.26 3.29 1feaD1 HIS 251 HB3 -0.05 -0.08 0.25 -0.04 3.20 3.29 1feaD1 HIS 251 HD2 -0.03 -0.02 -0.21 -0.04 6.97 6.66 1feaD1 HIS 251 HE1 -0.03 -0.04 -0.02 -0.04 7.75 7.61 1feaD1 GLU 252 H -0.07 0.54 -0.14 -0.55 8.60 8.38 1feaD1 GLU 252 HA -0.03 0.11 0.75 -0.75 4.29 4.36 1feaD1 GLU 252 HB2 -0.14 0.06 -0.17 -0.04 2.09 1.80 1feaD1 GLU 252 HB3 -0.35 -0.09 -0.24 -0.04 1.99 1.26 1feaD1 GLU 252 HG2 -0.12 0.23 -0.48 -0.04 2.34 1.93 1feaD1 GLU 252 HG3 -0.31 -0.02 -0.18 -0.04 2.34 1.79 1feaD1 ASN 253 H 0.17 0.21 0.07 -0.55 8.53 8.44 1feaD1 ASN 253 HA 0.11 0.09 0.64 -0.75 4.76 4.85 1feaD1 ASN 253 HB2 0.01 -0.01 -0.41 -0.04 2.88 2.43 1feaD1 ASN 253 HB3 0.06 -0.01 -0.02 -0.04 2.79 2.78 1feaD1 ASN 253 HD21 0.02 -0.02 -0.01 -0.04 7.03 6.98 1feaD1 ASN 253 HD22 0.02 -0.01 -0.02 -0.04 7.74 7.69 1feaD1 PRO 254 HA -0.13 0.07 0.53 -0.51 4.44 4.40 1feaD1 PRO 254 HB2 -0.02 0.01 -0.14 -0.04 2.28 2.10 1feaD1 PRO 254 HB3 -0.13 0.07 -0.05 -0.04 2.02 1.86 1feaD1 PRO 254 HG2 0.01 0.02 -0.05 -0.04 2.03 1.97 1feaD1 PRO 254 HG3 0.09 0.05 -0.09 -0.04 2.03 2.05 1feaD1 PRO 254 HD2 0.07 0.09 0.12 -0.04 3.68 3.92 1feaD1 PRO 254 HD3 0.17 0.11 0.01 -0.04 3.65 3.90 1feaD1 ALA 255 H -0.09 0.68 0.43 -0.55 8.40 8.88 1feaD1 ALA 255 HA 0.01 0.14 0.79 -0.75 4.34 4.53 1feaD1 ALA 255 HB3 0.02 0.00 -0.15 -0.04 1.41 1.24 1feaD1 LYS 256 H -0.07 0.34 0.35 -0.55 8.42 8.48 1feaD1 LYS 256 HA -0.01 0.20 0.77 -0.75 4.32 4.52 1feaD1 LYS 256 HB2 -0.00 0.04 -0.26 -0.04 1.87 1.60 1feaD1 LYS 256 HB3 -0.00 -0.04 -0.01 -0.04 1.79 1.70 1feaD1 LYS 256 HG2 0.01 0.11 -0.17 -0.04 1.46 1.37 1feaD1 LYS 256 HG3 0.00 -0.06 0.05 -0.04 1.46 1.41 1feaD1 LYS 256 HD2 0.02 -0.01 -0.12 -0.04 1.69 1.53 1feaD1 LYS 256 HD3 0.01 -0.00 -0.09 -0.04 1.68 1.55 1feaD1 LYS 256 HE2 0.01 -0.03 -0.02 -0.04 2.99 2.91 1feaD1 LYS 256 HE3 0.01 0.01 -0.06 -0.04 2.99 2.91 1feaD1 VAL 257 H -0.01 0.52 0.22 -0.55 8.24 8.43 1feaD1 VAL 257 HA -0.03 0.41 1.22 -0.75 4.13 4.98 1feaD1 VAL 257 HB -0.01 -0.03 -0.04 -0.04 2.12 2.01 1feaD1 VAL 257 HG13 -0.02 -0.00 -0.02 -0.04 0.97 0.89 1feaD1 VAL 257 HG23 -0.04 -0.00 -0.22 -0.04 0.95 0.64 1feaD1 THR 258 H 0.04 0.44 0.35 -0.55 8.28 8.56 1feaD1 THR 258 HA 0.02 0.11 0.74 -0.75 4.39 4.50 1feaD1 THR 258 HB 0.03 0.04 -0.21 -0.04 4.32 4.13 1feaD1 THR 258 HG23 0.00 0.00 0.03 -0.04 1.22 1.21 1feaD1 LYS 259 H 0.01 0.16 0.13 -0.55 8.42 8.17 1feaD1 LYS 259 HA 0.02 0.32 0.94 -0.75 4.32 4.84 1feaD1 LYS 259 HB2 0.01 -0.09 0.09 -0.04 1.87 1.83 1feaD1 LYS 259 HB3 0.00 -0.01 0.03 -0.04 1.79 1.77 1feaD1 LYS 259 HG2 0.01 0.11 -0.00 -0.04 1.46 1.53 1feaD1 LYS 259 HG3 0.01 0.03 -0.04 -0.04 1.46 1.42 1feaD1 LYS 259 HD2 0.01 -0.07 0.00 -0.04 1.69 1.59 1feaD1 LYS 259 HD3 0.00 -0.00 -0.01 -0.04 1.68 1.63 1feaD1 LYS 259 HE2 0.00 0.03 0.10 -0.04 2.99 3.08 1feaD1 LYS 259 HE3 0.01 0.02 0.03 -0.04 2.99 3.00 1feaD1 ASN 260 H 0.02 0.74 0.19 -0.55 8.53 8.94 1feaD1 ASN 260 HA -0.02 0.08 0.52 -0.75 4.76 4.59 1feaD1 ASN 260 HB2 0.01 -0.07 -0.05 -0.04 2.88 2.73 1feaD1 ASN 260 HB3 -0.01 -0.05 0.05 -0.04 2.79 2.75 1feaD1 ASN 260 HD21 0.09 0.03 -0.42 -0.04 7.03 6.69 1feaD1 ASN 260 HD22 0.03 -0.06 -0.30 -0.04 7.74 7.36 1feaD1 ALA 261 H -0.02 0.14 0.12 -0.55 8.40 8.10 1feaD1 ALA 261 HA -0.01 0.12 0.34 -0.75 4.34 4.04 1feaD1 ALA 261 HB3 -0.01 0.01 0.11 -0.04 1.41 1.48 1feaD1 ASP 262 H -0.01 0.00 -0.39 -0.55 8.40 7.45 1feaD1 ASP 262 HA -0.00 0.20 0.51 -0.75 4.63 4.58 1feaD1 ASP 262 HB2 -0.01 0.06 0.17 -0.04 2.71 2.89 1feaD1 ASP 262 HB3 -0.01 -0.00 0.04 -0.04 2.70 2.69 1feaD1 GLY 263 H -0.00 0.54 -0.53 -0.55 8.43 7.89 1feaD1 GLY 263 HA2 0.00 0.01 0.31 -0.51 4.01 3.82 1feaD1 GLY 263 HA3 -0.00 0.06 0.38 -0.51 4.01 3.94 1feaD1 THR 264 H -0.00 -0.05 -0.57 -0.55 8.28 7.10 1feaD1 THR 264 HA -0.00 0.20 0.62 -0.75 4.39 4.46 1feaD1 THR 264 HB 0.00 0.08 -0.08 -0.04 4.32 4.28 1feaD1 THR 264 HG23 -0.02 0.02 -0.06 -0.04 1.22 1.12 1feaD1 ARG 265 H 0.03 0.65 0.33 -0.55 8.46 8.93 1feaD1 ARG 265 HA 0.04 0.38 1.03 -0.75 4.34 5.03 1feaD1 ARG 265 HB2 0.06 -0.12 -0.06 -0.04 1.90 1.74 1feaD1 ARG 265 HB3 0.02 -0.04 0.07 -0.04 1.80 1.81 1feaD1 ARG 265 HG2 0.01 0.07 0.07 -0.04 1.67 1.78 1feaD1 ARG 265 HG3 -0.00 -0.11 -0.08 -0.04 1.67 1.43 1feaD1 ARG 265 HD2 -0.00 0.19 0.03 -0.04 3.22 3.40 1feaD1 ARG 265 HD3 0.01 -0.04 -0.07 -0.04 3.22 3.08 1feaD1 HIS 266 H 0.10 0.51 0.32 -0.55 8.41 8.79 1feaD1 HIS 266 HA -0.03 0.19 0.88 -0.75 4.63 4.91 1feaD1 HIS 266 HB2 -0.03 -0.03 -0.08 -0.04 3.26 3.09 1feaD1 HIS 266 HB3 -0.03 -0.07 0.01 -0.04 3.20 3.07 1feaD1 HIS 266 HD2 -0.04 -0.05 -0.32 -0.04 6.97 6.52 1feaD1 HIS 266 HE1 -0.03 0.00 -0.12 -0.04 7.75 7.56 1feaD1 VAL 267 H -0.44 0.74 0.35 -0.55 8.24 8.34 1feaD1 VAL 267 HA -0.18 0.33 1.22 -0.75 4.13 4.74 1feaD1 VAL 267 HB -0.24 -0.02 -0.03 -0.04 2.12 1.78 1feaD1 VAL 267 HG13 -0.51 -0.01 -0.13 -0.04 0.97 0.28 1feaD1 VAL 267 HG23 0.04 0.02 -0.31 -0.04 0.95 0.66 1feaD1 VAL 268 H -0.20 0.61 0.35 -0.55 8.24 8.45 1feaD1 VAL 268 HA -0.13 0.36 1.02 -0.75 4.13 4.62 1feaD1 VAL 268 HB -0.03 -0.15 0.18 -0.04 2.12 2.08 1feaD1 VAL 268 HG13 0.03 0.06 -0.10 -0.04 0.97 0.92 1feaD1 VAL 268 HG23 0.08 0.01 -0.12 -0.04 0.95 0.88 1feaD1 PHE 269 H 0.08 0.72 0.09 -0.55 8.34 8.67 1feaD1 PHE 269 HA 0.01 0.12 0.88 -0.75 4.62 4.88 1feaD1 PHE 269 HB2 0.02 -0.07 0.02 -0.04 3.15 3.08 1feaD1 PHE 269 HB3 0.01 -0.10 0.07 -0.04 3.06 3.01 1feaD1 PHE 269 HD2 0.01 -0.02 -0.55 -0.04 7.28 6.68 1feaD1 PHE 269 HE2 0.04 0.02 -0.30 -0.04 7.38 7.10 1feaD1 PHE 269 HZ 0.11 0.02 -0.24 -0.04 7.32 7.18 1feaD1 GLU 270 H 0.18 0.57 0.19 -0.55 8.60 9.00 1feaD1 GLU 270 HA 0.06 0.08 0.31 -0.75 4.29 3.99 1feaD1 GLU 270 HB2 0.07 -0.02 0.02 -0.04 2.09 2.11 1feaD1 GLU 270 HB3 0.05 0.03 0.06 -0.04 1.99 2.08 1feaD1 GLU 270 HG2 0.06 0.00 -0.06 -0.04 2.34 2.30 1feaD1 GLU 270 HG3 0.09 0.05 0.02 -0.04 2.34 2.45 1feaD1 SER 271 H 0.13 -0.06 -0.38 -0.55 8.46 7.61 1feaD1 SER 271 HA 0.04 0.15 0.53 -0.75 4.49 4.46 1feaD1 SER 271 HB2 0.02 0.06 0.07 -0.04 3.95 4.07 1feaD1 SER 271 HB3 0.03 0.09 0.09 -0.04 3.93 4.11 1feaD1 GLY 272 H 0.11 0.53 -0.25 -0.55 8.43 8.28 1feaD1 GLY 272 HA2 0.06 0.02 0.27 -0.51 4.01 3.85 1feaD1 GLY 272 HA3 0.05 0.21 0.89 -0.51 4.01 4.65 1feaD1 ALA 273 H 0.13 -0.05 -0.24 -0.55 8.40 7.69 1feaD1 ALA 273 HA 0.09 0.11 0.37 -0.75 4.34 4.16 1feaD1 ALA 273 HB3 0.17 0.00 0.03 -0.04 1.41 1.57 1feaD1 GLU 274 H 0.09 0.27 0.26 -0.55 8.60 8.68 1feaD1 GLU 274 HA -0.10 0.36 1.01 -0.75 4.29 4.81 1feaD1 GLU 274 HB2 0.03 -0.05 -0.06 -0.04 2.09 1.97 1feaD1 GLU 274 HB3 -0.03 0.01 0.12 -0.04 1.99 2.06 1feaD1 GLU 274 HG2 0.07 0.17 -0.46 -0.04 2.34 2.08 1feaD1 GLU 274 HG3 0.07 -0.03 -0.02 -0.04 2.34 2.32 1feaD1 ALA 275 H -0.44 0.49 0.39 -0.55 8.40 8.29 1feaD1 ALA 275 HA -0.18 0.10 0.60 -0.75 4.34 4.11 1feaD1 ALA 275 HB3 -0.11 0.03 -0.14 -0.04 1.41 1.16 1feaD1 ASP 276 H -0.37 0.22 0.19 -0.55 8.40 7.89 1feaD1 ASP 276 HA -0.20 0.26 1.22 -0.75 4.63 5.16 1feaD1 ASP 276 HB2 -0.12 -0.01 0.08 -0.04 2.71 2.62 1feaD1 ASP 276 HB3 -0.06 0.03 -0.00 -0.04 2.70 2.63 1feaD1 TYR 277 H 0.03 0.83 0.32 -0.55 8.29 8.93 1feaD1 TYR 277 HA -0.05 0.14 0.84 -0.75 4.56 4.74 1feaD1 TYR 277 HB2 -0.06 -0.05 -0.21 -0.04 3.06 2.69 1feaD1 TYR 277 HB3 -0.07 0.10 -0.07 -0.04 2.98 2.91 1feaD1 TYR 277 HD2 -0.06 -0.02 -0.42 -0.04 7.15 6.62 1feaD1 TYR 277 HE2 -0.01 0.01 -0.25 -0.04 6.85 6.56 1feaD1 ASP 278 H 0.03 0.39 0.35 -0.55 8.40 8.63 1feaD1 ASP 278 HA -0.02 0.06 0.54 -0.75 4.63 4.46 1feaD1 ASP 278 HB2 -0.11 0.02 0.26 -0.04 2.71 2.83 1feaD1 ASP 278 HB3 -0.09 0.06 0.15 -0.04 2.70 2.78 1feaD1 VAL 279 H -0.04 0.32 0.07 -0.55 8.24 8.05 1feaD1 VAL 279 HA -0.09 0.20 0.74 -0.75 4.13 4.22 1feaD1 VAL 279 HB -0.29 -0.04 -0.03 -0.04 2.12 1.72 1feaD1 VAL 279 HG13 -0.31 -0.04 -0.20 -0.04 0.97 0.38 1feaD1 VAL 279 HG23 -0.17 0.04 -0.04 -0.04 0.95 0.75 1feaD1 VAL 280 H -0.09 0.32 0.10 -0.55 8.24 8.02 1feaD1 VAL 280 HA -0.20 0.18 0.82 -0.75 4.13 4.18 1feaD1 VAL 280 HB -0.15 0.04 -0.10 -0.04 2.12 1.88 1feaD1 VAL 280 HG13 -0.06 -0.01 0.02 -0.04 0.97 0.89 1feaD1 VAL 280 HG23 -0.14 -0.02 -0.11 -0.04 0.95 0.64 1feaD1 MET 281 H -0.09 0.63 0.24 -0.55 8.47 8.70 1feaD1 MET 281 HA -0.10 0.04 0.77 -0.75 4.52 4.47 1feaD1 MET 281 HB2 0.01 0.03 -0.05 -0.04 2.15 2.10 1feaD1 MET 281 HB3 -0.02 -0.02 0.07 -0.04 2.03 2.02 1feaD1 MET 281 HG2 -0.18 0.11 -0.29 -0.04 2.63 2.23 1feaD1 MET 281 HG3 -0.20 -0.04 -0.28 -0.04 2.56 2.00 1feaD1 MET 281 HE3 -0.04 0.01 -0.19 -0.04 2.10 1.84 1feaD1 LEU 282 H -0.14 0.83 0.29 -0.55 8.37 8.80 1feaD1 LEU 282 HA -0.08 0.10 0.95 -0.75 4.35 4.56 1feaD1 LEU 282 HB2 -0.23 0.08 0.28 -0.04 1.64 1.73 1feaD1 LEU 282 HB3 -0.13 -0.07 0.15 -0.04 1.64 1.55 1feaD1 LEU 282 HG -0.10 0.07 0.01 -0.04 1.64 1.58 1feaD1 LEU 282 HD13 -0.14 -0.02 0.06 -0.04 0.93 0.79 1feaD1 LEU 282 HD23 -0.05 -0.01 -0.02 -0.04 0.89 0.78 1feaD1 ALA 283 H -0.07 0.69 0.16 -0.55 8.40 8.64 1feaD1 ALA 283 HA -0.12 0.05 0.67 -0.75 4.34 4.19 1feaD1 ALA 283 HB3 -0.10 -0.01 -0.07 -0.04 1.41 1.19 1feaD1 ILE 284 H -0.06 0.27 0.09 -0.55 8.25 7.99 1feaD1 ILE 284 HA 0.02 -0.02 0.60 -0.75 4.18 4.02 1feaD1 ILE 284 HB -0.01 0.11 -0.07 -0.04 1.89 1.88 1feaD1 ILE 284 HG12 -0.04 0.02 0.03 -0.04 1.49 1.46 1feaD1 ILE 284 HG13 0.01 0.06 -0.09 -0.04 1.21 1.15 1feaD1 ILE 284 HG23 0.04 0.01 -0.04 -0.04 0.93 0.90 1feaD1 ILE 284 HD13 0.02 -0.02 -0.21 -0.04 0.88 0.63 1feaD1 GLY 285 H -0.04 0.16 0.07 -0.55 8.43 8.08 1feaD1 GLY 285 HA2 -0.00 -0.01 0.19 -0.51 4.01 3.68 1feaD1 GLY 285 HA3 0.02 0.21 0.60 -0.51 4.01 4.34 1feaD1 ARG 286 H 0.04 0.22 0.14 -0.55 8.46 8.30 1feaD1 ARG 286 HA 0.04 0.34 0.87 -0.75 4.34 4.84 1feaD1 ARG 286 HB2 0.06 -0.02 0.09 -0.04 1.90 1.99 1feaD1 ARG 286 HB3 0.08 -0.05 -0.05 -0.04 1.80 1.73 1feaD1 ARG 286 HG2 -0.02 0.08 -0.16 -0.04 1.67 1.53 1feaD1 ARG 286 HG3 -0.02 -0.09 -0.32 -0.04 1.67 1.20 1feaD1 ARG 286 HD2 -0.01 0.00 -0.08 -0.04 3.22 3.10 1feaD1 ARG 286 HD3 0.06 -0.01 -0.06 -0.04 3.22 3.17 1feaD1 VAL 287 H 0.13 0.61 0.19 -0.55 8.24 8.62 1feaD1 VAL 287 HA 0.08 0.23 0.83 -0.75 4.13 4.53 1feaD1 VAL 287 HB 0.12 -0.08 -0.03 -0.04 2.12 2.09 1feaD1 VAL 287 HG13 0.18 0.04 -0.12 -0.04 0.97 1.03 1feaD1 VAL 287 HG23 0.08 0.06 0.04 -0.04 0.95 1.08 1feaD1 PRO 288 HA 0.08 -0.05 0.35 -0.51 4.44 4.31 1feaD1 PRO 288 HB2 0.04 0.04 -0.32 -0.04 2.28 2.00 1feaD1 PRO 288 HB3 0.04 0.15 -0.11 -0.04 2.02 2.05 1feaD1 PRO 288 HG2 0.04 -0.07 -0.22 -0.04 2.03 1.74 1feaD1 PRO 288 HG3 0.05 0.03 -0.07 -0.04 2.03 2.00 1feaD1 PRO 288 HD2 0.06 0.32 0.22 -0.04 3.68 4.24 1feaD1 PRO 288 HD3 0.06 0.15 0.22 -0.04 3.65 4.04 1feaD1 ARG 289 H 0.08 0.58 0.29 -0.55 8.46 8.86 1feaD1 ARG 289 HA 0.04 0.08 0.52 -0.75 4.34 4.22 1feaD1 ARG 289 HB2 0.12 -0.06 -0.24 -0.04 1.90 1.67 1feaD1 ARG 289 HB3 0.02 -0.01 0.02 -0.04 1.80 1.79 1feaD1 ARG 289 HG2 -0.12 -0.07 -0.10 -0.04 1.67 1.34 1feaD1 ARG 289 HG3 -0.09 -0.01 -0.13 -0.04 1.67 1.39 1feaD1 ARG 289 HD2 0.02 0.10 -0.04 -0.04 3.22 3.25 1feaD1 ARG 289 HD3 -0.10 0.01 0.03 -0.04 3.22 3.12 1feaD1 SER 290 H 0.02 0.36 0.05 -0.55 8.46 8.34 1feaD1 SER 290 HA -0.01 0.21 1.03 -0.75 4.49 4.97 1feaD1 SER 290 HB2 0.00 -0.08 0.06 -0.04 3.95 3.89 1feaD1 SER 290 HB3 0.01 -0.01 -0.12 -0.04 3.93 3.77 1feaD1 GLN 291 H -0.00 0.13 0.10 -0.55 8.47 8.16 1feaD1 GLN 291 HA -0.00 0.05 0.16 -0.75 4.36 3.81 1feaD1 GLN 291 HB2 -0.01 0.02 0.02 -0.04 2.15 2.14 1feaD1 GLN 291 HB3 -0.01 0.05 0.12 -0.04 2.02 2.14 1feaD1 GLN 291 HG2 0.02 0.04 0.03 -0.04 2.40 2.45 1feaD1 GLN 291 HG3 0.01 0.01 0.05 -0.04 2.39 2.42 1feaD1 GLN 291 HE21 0.06 0.32 0.08 -0.04 6.97 7.39 1feaD1 GLN 291 HE22 0.04 -0.01 -0.03 -0.04 7.69 7.65 1feaD1 THR 292 H -0.02 0.11 -0.45 -0.55 8.28 7.37 1feaD1 THR 292 HA -0.02 0.23 1.03 -0.75 4.39 4.88 1feaD1 THR 292 HB -0.01 0.10 0.16 -0.04 4.32 4.53 1feaD1 THR 292 HG23 -0.04 -0.01 -0.12 -0.04 1.22 1.01 1feaD1 LEU 293 H -0.01 0.46 0.14 -0.55 8.37 8.41 1feaD1 LEU 293 HA -0.01 0.30 0.67 -0.75 4.35 4.56 1feaD1 LEU 293 HB2 -0.01 0.02 0.18 -0.04 1.64 1.78 1feaD1 LEU 293 HB3 -0.02 -0.03 0.09 -0.04 1.64 1.64 1feaD1 LEU 293 HG -0.02 -0.06 0.07 -0.04 1.64 1.59 1feaD1 LEU 293 HD13 -0.01 -0.01 0.07 -0.04 0.93 0.93 1feaD1 LEU 293 HD23 -0.02 0.04 -0.04 -0.04 0.89 0.82 1feaD1 GLN 294 H -0.01 0.11 -0.24 -0.55 8.47 7.78 1feaD1 GLN 294 HA -0.01 0.01 0.29 -0.75 4.36 3.89 1feaD1 GLN 294 HB2 -0.01 0.27 0.42 -0.04 2.15 2.79 1feaD1 GLN 294 HB3 -0.01 -0.04 0.25 -0.04 2.02 2.18 1feaD1 GLN 294 HG2 -0.02 -0.05 -0.03 -0.04 2.40 2.26 1feaD1 GLN 294 HG3 -0.01 0.09 -0.40 -0.04 2.39 2.02 1feaD1 GLN 294 HE21 -0.01 -0.04 -0.02 -0.04 6.97 6.86 1feaD1 GLN 294 HE22 -0.01 0.41 0.06 -0.04 7.69 8.11 1feaD1 LEU 295 H -0.01 0.11 -0.12 -0.55 8.37 7.80 1feaD1 LEU 295 HA -0.01 0.11 0.19 -0.75 4.35 3.88 1feaD1 LEU 295 HB2 -0.01 0.02 -0.03 -0.04 1.64 1.58 1feaD1 LEU 295 HB3 -0.01 0.05 -0.03 -0.04 1.64 1.60 1feaD1 LEU 295 HG -0.01 -0.02 0.03 -0.04 1.64 1.59 1feaD1 LEU 295 HD13 -0.01 0.01 -0.08 -0.04 0.93 0.81 1feaD1 LEU 295 HD23 -0.01 0.02 -0.10 -0.04 0.89 0.75 1feaD1 GLU 296 H -0.01 0.06 -0.33 -0.55 8.60 7.77 1feaD1 GLU 296 HA -0.01 0.08 0.52 -0.75 4.29 4.12 1feaD1 GLU 296 HB2 -0.01 0.06 0.06 -0.04 2.09 2.16 1feaD1 GLU 296 HB3 -0.01 -0.02 0.06 -0.04 1.99 1.99 1feaD1 GLU 296 HG2 -0.01 0.10 -0.14 -0.04 2.34 2.25 1feaD1 GLU 296 HG3 -0.01 0.03 -0.02 -0.04 2.34 2.30 1feaD1 LYS 297 H -0.01 0.31 -0.23 -0.55 8.42 7.93 1feaD1 LYS 297 HA -0.01 0.01 0.19 -0.75 4.32 3.75 1feaD1 LYS 297 HB2 -0.01 0.21 -0.04 -0.04 1.87 1.99 1feaD1 LYS 297 HB3 -0.01 0.30 -0.18 -0.04 1.79 1.85 1feaD1 LYS 297 HG2 -0.01 -0.10 0.06 -0.04 1.46 1.37 1feaD1 LYS 297 HG3 -0.01 -0.08 0.11 -0.04 1.46 1.43 1feaD1 LYS 297 HD2 -0.01 0.18 0.18 -0.04 1.69 2.00 1feaD1 LYS 297 HD3 -0.01 0.11 0.14 -0.04 1.68 1.88 1feaD1 LYS 297 HE2 -0.01 -0.02 0.07 -0.04 2.99 2.99 1feaD1 LYS 297 HE3 -0.01 -0.03 0.07 -0.04 2.99 2.98 1feaD1 ALA 298 H -0.02 0.19 -0.60 -0.55 8.40 7.43 1feaD1 ALA 298 HA -0.02 0.08 0.87 -0.75 4.34 4.51 1feaD1 ALA 298 HB3 -0.03 -0.02 -0.10 -0.04 1.41 1.22 1feaD1 GLY 299 H -0.01 0.35 -0.17 -0.55 8.43 8.06 1feaD1 GLY 299 HA2 -0.01 0.03 0.31 -0.51 4.01 3.83 1feaD1 GLY 299 HA3 -0.01 0.07 0.55 -0.51 4.01 4.11 1feaD1 VAL 300 H -0.02 0.52 0.04 -0.55 8.24 8.23 1feaD1 VAL 300 HA -0.02 0.05 0.66 -0.75 4.13 4.07 1feaD1 VAL 300 HB -0.02 -0.07 0.04 -0.04 2.12 2.04 1feaD1 VAL 300 HG13 -0.02 -0.01 -0.18 -0.04 0.97 0.72 1feaD1 VAL 300 HG23 -0.02 -0.00 -0.11 -0.04 0.95 0.77 1feaD1 GLU 301 H -0.02 0.11 0.21 -0.55 8.60 8.35 1feaD1 GLU 301 HA -0.01 0.05 0.49 -0.75 4.29 4.06 1feaD1 GLU 301 HB2 -0.01 -0.01 0.19 -0.04 2.09 2.21 1feaD1 GLU 301 HB3 -0.01 -0.01 0.01 -0.04 1.99 1.94 1feaD1 GLU 301 HG2 -0.01 0.02 0.03 -0.04 2.34 2.35 1feaD1 GLU 301 HG3 -0.01 0.03 0.01 -0.04 2.34 2.33 1feaD1 VAL 302 H -0.00 0.16 0.22 -0.55 8.24 8.07 1feaD1 VAL 302 HA -0.00 0.10 0.87 -0.75 4.13 4.35 1feaD1 VAL 302 HB -0.00 0.00 0.05 -0.04 2.12 2.13 1feaD1 VAL 302 HG13 0.01 0.03 -0.17 -0.04 0.97 0.80 1feaD1 VAL 302 HG23 -0.00 0.00 -0.27 -0.04 0.95 0.64 1feaD1 ALA 303 H 0.01 0.64 0.17 -0.55 8.40 8.67 1feaD1 ALA 303 HA 0.01 0.24 0.82 -0.75 4.34 4.65 1feaD1 ALA 303 HB3 0.01 -0.07 0.16 -0.04 1.41 1.46 1feaD1 LYS 304 H 0.01 0.17 0.18 -0.55 8.42 8.22 1feaD1 LYS 304 HA 0.01 0.19 0.57 -0.75 4.32 4.34 1feaD1 LYS 304 HB2 0.01 -0.03 0.17 -0.04 1.87 1.98 1feaD1 LYS 304 HB3 0.02 0.04 0.04 -0.04 1.79 1.84 1feaD1 LYS 304 HG2 0.01 0.03 0.06 -0.04 1.46 1.52 1feaD1 LYS 304 HG3 0.01 0.03 0.02 -0.04 1.46 1.48 1feaD1 LYS 304 HD2 0.01 0.04 0.02 -0.04 1.69 1.72 1feaD1 LYS 304 HD3 0.01 -0.01 0.05 -0.04 1.68 1.69 1feaD1 LYS 304 HE2 0.01 0.02 0.03 -0.04 2.99 3.01 1feaD1 LYS 304 HE3 0.01 -0.04 0.04 -0.04 2.99 2.97 1feaD1 ASN 305 H 0.02 0.02 -0.08 -0.55 8.53 7.94 1feaD1 ASN 305 HA 0.03 0.24 0.68 -0.75 4.76 4.96 1feaD1 ASN 305 HB2 0.04 0.03 0.18 -0.04 2.88 3.09 1feaD1 ASN 305 HB3 0.03 0.03 0.06 -0.04 2.79 2.88 1feaD1 ASN 305 HD21 0.02 0.08 0.01 -0.04 7.03 7.10 1feaD1 ASN 305 HD22 0.03 0.02 0.04 -0.04 7.74 7.79 1feaD1 GLY 306 H 0.02 0.31 -0.58 -0.55 8.43 7.63 1feaD1 GLY 306 HA2 0.02 0.05 0.18 -0.51 4.01 3.75 1feaD1 GLY 306 HA3 0.03 0.16 0.59 -0.51 4.01 4.28 1feaD1 ALA 307 H 0.02 -0.13 -0.32 -0.55 8.40 7.42 1feaD1 ALA 307 HA 0.02 0.23 0.42 -0.75 4.34 4.25 1feaD1 ALA 307 HB3 0.01 0.03 -0.09 -0.04 1.41 1.32 1feaD1 ILE 308 H 0.01 0.56 0.25 -0.55 8.25 8.52 1feaD1 ILE 308 HA -0.00 0.04 0.67 -0.75 4.18 4.14 1feaD1 ILE 308 HB 0.00 -0.06 -0.03 -0.04 1.89 1.76 1feaD1 ILE 308 HG12 -0.00 0.01 -0.08 -0.04 1.49 1.37 1feaD1 ILE 308 HG13 0.00 0.05 -0.03 -0.04 1.21 1.20 1feaD1 ILE 308 HG23 -0.01 0.03 -0.25 -0.04 0.93 0.66 1feaD1 ILE 308 HD13 -0.00 -0.03 -0.07 -0.04 0.88 0.74 1feaD1 LYS 309 H -0.01 0.34 0.24 -0.55 8.42 8.44 1feaD1 LYS 309 HA -0.01 0.04 0.51 -0.75 4.32 4.11 1feaD1 LYS 309 HB2 -0.01 0.19 0.10 -0.04 1.87 2.11 1feaD1 LYS 309 HB3 -0.01 -0.01 -0.09 -0.04 1.79 1.64 1feaD1 LYS 309 HG2 -0.00 -0.01 -0.05 -0.04 1.46 1.36 1feaD1 LYS 309 HG3 -0.00 -0.04 -0.18 -0.04 1.46 1.19 1feaD1 LYS 309 HD2 -0.00 -0.00 -0.21 -0.04 1.69 1.44 1feaD1 LYS 309 HD3 -0.00 -0.00 -0.09 -0.04 1.68 1.55 1feaD1 LYS 309 HE2 0.00 -0.03 -0.06 -0.04 2.99 2.87 1feaD1 LYS 309 HE3 0.00 0.00 -0.16 -0.04 2.99 2.79 1feaD1 VAL 310 H -0.01 0.20 0.19 -0.55 8.24 8.07 1feaD1 VAL 310 HA -0.02 0.25 0.65 -0.75 4.13 4.25 1feaD1 VAL 310 HB 0.02 -0.10 -0.10 -0.04 2.12 1.89 1feaD1 VAL 310 HG13 -0.01 0.05 -0.38 -0.04 0.97 0.58 1feaD1 VAL 310 HG23 0.01 0.01 -0.04 -0.04 0.95 0.89 1feaD1 ASP 311 H 0.00 0.68 0.23 -0.55 8.40 8.76 1feaD1 ASP 311 HA 0.04 0.15 0.71 -0.75 4.63 4.77 1feaD1 ASP 311 HB2 0.10 -0.04 0.15 -0.04 2.71 2.87 1feaD1 ASP 311 HB3 0.03 0.12 0.09 -0.04 2.70 2.89 1feaD1 ALA 312 H 0.11 0.19 0.14 -0.55 8.40 8.30 1feaD1 ALA 312 HA 0.04 0.08 0.25 -0.75 4.34 3.96 1feaD1 ALA 312 HB3 -0.01 0.02 0.09 -0.04 1.41 1.48 1feaD1 TYR 313 H 0.36 0.02 -0.54 -0.55 8.29 7.58 1feaD1 TYR 313 HA 0.13 0.24 0.95 -0.75 4.56 5.13 1feaD1 TYR 313 HB2 0.16 -0.06 -0.02 -0.04 3.06 3.10 1feaD1 TYR 313 HB3 0.19 0.08 0.17 -0.04 2.98 3.38 1feaD1 TYR 313 HD2 0.06 -0.07 -0.06 -0.04 7.15 7.04 1feaD1 TYR 313 HE2 0.03 0.01 -0.26 -0.04 6.85 6.58 1feaD1 SER 314 H 0.15 0.70 -0.06 -0.55 8.46 8.70 1feaD1 SER 314 HA 0.10 0.06 0.32 -0.75 4.49 4.22 1feaD1 SER 314 HB2 0.36 0.26 -0.11 -0.04 3.95 4.42 1feaD1 SER 314 HB3 0.17 -0.01 0.13 -0.04 3.93 4.18 1feaD1 LYS 315 H 0.05 -0.07 -0.26 -0.55 8.42 7.58 1feaD1 LYS 315 HA -1.03 0.19 0.91 -0.75 4.32 3.63 1feaD1 LYS 315 HB2 -0.61 0.03 -0.01 -0.04 1.87 1.24 1feaD1 LYS 315 HB3 -0.19 -0.16 0.04 -0.04 1.79 1.44 1feaD1 LYS 315 HG2 -0.28 0.42 -0.23 -0.04 1.46 1.32 1feaD1 LYS 315 HG3 -0.81 0.07 -0.02 -0.04 1.46 0.66 1feaD1 LYS 315 HD2 -0.10 0.01 0.02 -0.04 1.69 1.58 1feaD1 LYS 315 HD3 -0.11 -0.02 -0.02 -0.04 1.68 1.49 1feaD1 LYS 315 HE2 -0.05 -0.04 -0.02 -0.04 2.99 2.84 1feaD1 LYS 315 HE3 -0.09 -0.14 -0.05 -0.04 2.99 2.67 1feaD1 THR 316 H -0.29 0.73 0.35 -0.55 8.28 8.52 1feaD1 THR 316 HA -0.07 0.22 0.66 -0.75 4.39 4.44 1feaD1 THR 316 HB -0.05 -0.08 0.20 -0.04 4.32 4.36 1feaD1 THR 316 HG23 -0.05 0.03 -0.16 -0.04 1.22 1.00 1feaD1 ASN 317 H -0.04 0.09 0.19 -0.55 8.53 8.21 1feaD1 ASN 317 HA -0.04 0.14 0.54 -0.75 4.76 4.64 1feaD1 ASN 317 HB2 -0.02 0.03 0.13 -0.04 2.88 2.97 1feaD1 ASN 317 HB3 -0.02 -0.01 0.12 -0.04 2.79 2.84 1feaD1 ASN 317 HD21 -0.02 0.44 0.19 -0.04 7.03 7.61 1feaD1 ASN 317 HD22 -0.02 -0.04 0.04 -0.04 7.74 7.69 1feaD1 VAL 318 H -0.05 0.02 -0.11 -0.55 8.24 7.55 1feaD1 VAL 318 HA -0.03 0.16 0.77 -0.75 4.13 4.27 1feaD1 VAL 318 HB -0.04 -0.07 0.14 -0.04 2.12 2.11 1feaD1 VAL 318 HG13 -0.05 -0.05 -0.00 -0.04 0.97 0.83 1feaD1 VAL 318 HG23 -0.03 0.03 -0.08 -0.04 0.95 0.82 1feaD1 ASP 319 H -0.02 0.19 0.12 -0.55 8.40 8.14 1feaD1 ASP 319 HA -0.05 0.14 0.16 -0.75 4.63 4.13 1feaD1 ASP 319 HB2 0.01 -0.00 0.08 -0.04 2.71 2.76 1feaD1 ASP 319 HB3 0.03 0.02 0.12 -0.04 2.70 2.83 1feaD1 ASN 320 H -0.02 0.04 -0.35 -0.55 8.53 7.66 1feaD1 ASN 320 HA 0.24 0.24 0.96 -0.75 4.76 5.45 1feaD1 ASN 320 HB2 -0.33 0.11 0.20 -0.04 2.88 2.82 1feaD1 ASN 320 HB3 -0.11 -0.07 0.04 -0.04 2.79 2.61 1feaD1 ASN 320 HD21 -0.57 0.53 0.24 -0.04 7.03 7.20 1feaD1 ASN 320 HD22 -0.32 0.66 0.40 -0.04 7.74 8.43 1feaD1 ILE 321 H 0.03 0.53 -0.05 -0.55 8.25 8.21 1feaD1 ILE 321 HA 0.20 0.27 1.10 -0.75 4.18 5.00 1feaD1 ILE 321 HB -0.02 -0.01 0.17 -0.04 1.89 1.99 1feaD1 ILE 321 HG12 0.00 0.05 -0.00 -0.04 1.49 1.49 1feaD1 ILE 321 HG13 -0.04 0.00 -0.19 -0.04 1.21 0.94 1feaD1 ILE 321 HG23 -0.00 -0.03 -0.14 -0.04 0.93 0.72 1feaD1 ILE 321 HD13 -0.05 -0.03 -0.04 -0.04 0.88 0.72 1feaD1 TYR 322 H 0.27 0.56 0.43 -0.55 8.29 9.00 1feaD1 TYR 322 HA 0.04 0.20 1.14 -0.75 4.56 5.18 1feaD1 TYR 322 HB2 -0.23 -0.09 0.06 -0.04 3.06 2.76 1feaD1 TYR 322 HB3 -0.08 0.03 0.08 -0.04 2.98 2.97 1feaD1 TYR 322 HD2 0.29 0.01 -0.38 -0.04 7.15 7.04 1feaD1 TYR 322 HE2 0.20 0.08 -0.12 -0.04 6.85 6.97 1feaD1 ALA 323 H 0.06 0.66 0.26 -0.55 8.40 8.83 1feaD1 ALA 323 HA -0.02 0.27 0.92 -0.75 4.34 4.75 1feaD1 ALA 323 HB3 -0.00 -0.01 -0.08 -0.04 1.41 1.28 1feaD1 ILE 324 H -0.03 0.45 0.26 -0.55 8.25 8.39 1feaD1 ILE 324 HA 0.04 0.25 0.96 -0.75 4.18 4.67 1feaD1 ILE 324 HB 0.04 -0.06 -0.00 -0.04 1.89 1.83 1feaD1 ILE 324 HG12 -0.08 0.10 -0.10 -0.04 1.49 1.37 1feaD1 ILE 324 HG13 -0.00 -0.21 -0.16 -0.04 1.21 0.79 1feaD1 ILE 324 HG23 -0.05 0.06 -0.30 -0.04 0.93 0.59 1feaD1 ILE 324 HD13 -0.02 0.03 -0.23 -0.04 0.88 0.62 1feaD1 GLY 325 H 0.06 0.24 0.13 -0.55 8.43 8.32 1feaD1 GLY 325 HA2 0.06 0.06 0.30 -0.51 4.01 3.92 1feaD1 GLY 325 HA3 0.04 0.00 0.49 -0.51 4.01 4.03 1feaD1 ASP 326 H 0.06 0.08 0.15 -0.55 8.40 8.14 1feaD1 ASP 326 HA 0.05 0.07 0.30 -0.75 4.63 4.30 1feaD1 ASP 326 HB2 0.08 -0.15 0.09 -0.04 2.71 2.68 1feaD1 ASP 326 HB3 0.08 0.14 -0.17 -0.04 2.70 2.72 1feaD1 VAL 327 H 0.04 -0.02 -0.18 -0.55 8.24 7.53 1feaD1 VAL 327 HA 0.04 0.09 0.15 -0.75 4.13 3.65 1feaD1 VAL 327 HB 0.03 -0.27 0.11 -0.04 2.12 1.95 1feaD1 VAL 327 HG13 0.01 0.05 -0.28 -0.04 0.97 0.71 1feaD1 VAL 327 HG23 0.02 0.02 -0.09 -0.04 0.95 0.86 1feaD1 THR 328 H 0.02 0.30 -0.67 -0.55 8.28 7.39 1feaD1 THR 328 HA 0.00 0.24 0.68 -0.75 4.39 4.55 1feaD1 THR 328 HB -0.01 0.10 0.02 -0.04 4.32 4.39 1feaD1 THR 328 HG23 0.01 0.04 -0.36 -0.04 1.22 0.87 1feaD1 ASP 329 H 0.02 0.45 -0.12 -0.55 8.40 8.20 1feaD1 ASP 329 HA 0.02 -0.07 0.24 -0.75 4.63 4.07 1feaD1 ASP 329 HB2 0.03 -0.02 -0.17 -0.04 2.71 2.50 1feaD1 ASP 329 HB3 0.01 0.15 0.11 -0.04 2.70 2.93 1feaD1 ARG 330 H -0.03 -0.03 -0.24 -0.55 8.46 7.62 1feaD1 ARG 330 HA -0.10 0.25 0.75 -0.75 4.34 4.49 1feaD1 ARG 330 HB2 -0.22 -0.15 0.07 -0.04 1.90 1.56 1feaD1 ARG 330 HB3 -0.53 0.04 0.03 -0.04 1.80 1.30 1feaD1 ARG 330 HG2 -0.15 0.08 -0.09 -0.04 1.67 1.46 1feaD1 ARG 330 HG3 -0.10 0.06 -0.39 -0.04 1.67 1.20 1feaD1 ARG 330 HD2 -0.38 -0.00 -0.04 -0.04 3.22 2.76 1feaD1 ARG 330 HD3 -0.10 0.10 -0.08 -0.04 3.22 3.10 1feaD1 VAL 331 H -0.01 0.15 0.00 -0.55 8.24 7.83 1feaD1 VAL 331 HA 0.03 0.26 0.84 -0.75 4.13 4.51 1feaD1 VAL 331 HB 0.17 -0.10 0.15 -0.04 2.12 2.31 1feaD1 VAL 331 HG13 0.04 -0.00 -0.12 -0.04 0.97 0.85 1feaD1 VAL 331 HG23 0.11 0.04 -0.08 -0.04 0.95 0.98 1feaD1 MET 332 H 0.05 0.29 -0.04 -0.55 8.47 8.22 1feaD1 MET 332 HA 0.07 0.02 0.53 -0.75 4.52 4.39 1feaD1 MET 332 HB2 0.10 0.06 0.17 -0.04 2.15 2.44 1feaD1 MET 332 HB3 0.10 -0.06 0.09 -0.04 2.03 2.12 1feaD1 MET 332 HG2 0.06 -0.07 -0.12 -0.04 2.63 2.45 1feaD1 MET 332 HG3 0.06 0.14 -0.09 -0.04 2.56 2.63 1feaD1 MET 332 HE3 0.06 0.10 -0.05 -0.04 2.10 2.18 1feaD1 LEU 333 H 0.06 0.56 0.22 -0.55 8.37 8.67 1feaD1 LEU 333 HA 0.06 0.12 0.75 -0.75 4.35 4.53 1feaD1 LEU 333 HB2 0.03 -0.04 0.00 -0.04 1.64 1.60 1feaD1 LEU 333 HB3 0.02 0.03 0.13 -0.04 1.64 1.78 1feaD1 LEU 333 HG 0.02 -0.10 -0.54 -0.04 1.64 0.98 1feaD1 LEU 333 HD13 -0.02 0.04 -0.08 -0.04 0.93 0.83 1feaD1 LEU 333 HD23 -0.07 0.03 0.06 -0.04 0.89 0.87 1feaD1 THR 334 H 0.06 0.21 0.18 -0.55 8.28 8.18 1feaD1 THR 334 HA 0.05 -0.06 0.55 -0.75 4.39 4.18 1feaD1 THR 334 HB 0.04 0.09 0.16 -0.04 4.32 4.57 1feaD1 THR 334 HG23 0.03 0.04 -0.17 -0.04 1.22 1.09 1feaD1 PRO 335 HA 0.03 0.20 0.89 -0.51 4.44 5.05 1feaD1 PRO 335 HB2 0.01 0.09 0.02 -0.04 2.28 2.36 1feaD1 PRO 335 HB3 0.01 0.13 0.09 -0.04 2.02 2.22 1feaD1 PRO 335 HG2 0.02 0.13 0.03 -0.04 2.03 2.18 1feaD1 PRO 335 HG3 0.02 0.07 -0.06 -0.04 2.03 2.02 1feaD1 PRO 335 HD2 0.03 0.15 0.06 -0.04 3.68 3.87 1feaD1 PRO 335 HD3 0.04 -0.02 0.11 -0.04 3.65 3.73 1feaD1 VAL 336 H 0.04 0.18 -0.18 -0.55 8.24 7.72 1feaD1 VAL 336 HA 0.01 0.18 0.51 -0.75 4.13 4.07 1feaD1 VAL 336 HB 0.09 0.10 0.21 -0.04 2.12 2.48 1feaD1 VAL 336 HG13 0.21 -0.02 -0.02 -0.04 0.97 1.10 1feaD1 VAL 336 HG23 0.06 -0.00 0.02 -0.04 0.95 0.98 1feaD1 ALA 337 H 0.06 0.30 -0.11 -0.55 8.40 8.10 1feaD1 ALA 337 HA 0.07 0.03 0.34 -0.75 4.34 4.03 1feaD1 ALA 337 HB3 0.05 -0.02 0.09 -0.04 1.41 1.49 1feaD1 ILE 338 H 0.04 0.31 -0.35 -0.55 8.25 7.70 1feaD1 ILE 338 HA 0.05 0.13 0.48 -0.75 4.18 4.09 1feaD1 ILE 338 HB 0.03 0.06 0.16 -0.04 1.89 2.10 1feaD1 ILE 338 HG12 0.04 0.26 0.05 -0.04 1.49 1.80 1feaD1 ILE 338 HG13 0.04 0.18 0.13 -0.04 1.21 1.51 1feaD1 ILE 338 HG23 0.04 0.02 -0.05 -0.04 0.93 0.90 1feaD1 ILE 338 HD13 0.03 -0.03 0.01 -0.04 0.88 0.85 1feaD1 ASN 339 H 0.03 0.49 -0.16 -0.55 8.53 8.34 1feaD1 ASN 339 HA 0.02 0.06 0.35 -0.75 4.76 4.44 1feaD1 ASN 339 HB2 -0.01 0.14 0.21 -0.04 2.88 3.18 1feaD1 ASN 339 HB3 -0.03 0.04 0.17 -0.04 2.79 2.93 1feaD1 ASN 339 HD21 -0.02 0.04 0.03 -0.04 7.03 7.04 1feaD1 ASN 339 HD22 -0.01 0.00 0.06 -0.04 7.74 7.75 1feaD1 GLU 340 H 0.05 0.58 -0.23 -0.55 8.60 8.45 1feaD1 GLU 340 HA 0.07 0.03 0.26 -0.75 4.29 3.89 1feaD1 GLU 340 HB2 0.08 0.00 0.15 -0.04 2.09 2.29 1feaD1 GLU 340 HB3 0.10 -0.01 0.02 -0.04 1.99 2.06 1feaD1 GLU 340 HG2 0.14 0.01 0.04 -0.04 2.34 2.49 1feaD1 GLU 340 HG3 0.11 0.33 0.09 -0.04 2.34 2.83 1feaD1 GLY 341 H 0.08 0.40 -0.22 -0.55 8.43 8.14 1feaD1 GLY 341 HA2 0.12 0.03 0.50 -0.51 4.01 4.15 1feaD1 GLY 341 HA3 0.10 0.02 0.35 -0.51 4.01 3.97 1feaD1 ALA 342 H 0.09 0.60 -0.11 -0.55 8.40 8.44 1feaD1 ALA 342 HA 0.12 0.06 0.45 -0.75 4.34 4.22 1feaD1 ALA 342 HB3 0.07 0.02 0.07 -0.04 1.41 1.53 1feaD1 ALA 343 H 0.08 0.74 0.01 -0.55 8.40 8.68 1feaD1 ALA 343 HA 0.04 0.05 0.38 -0.75 4.34 4.05 1feaD1 ALA 343 HB3 0.04 -0.00 -0.11 -0.04 1.41 1.30 1feaD1 PHE 344 H 0.23 0.29 -0.41 -0.55 8.34 7.90 1feaD1 PHE 344 HA -0.05 0.11 0.40 -0.75 4.62 4.33 1feaD1 PHE 344 HB2 0.03 0.02 0.04 -0.04 3.15 3.20 1feaD1 PHE 344 HB3 0.01 0.03 0.11 -0.04 3.06 3.17 1feaD1 PHE 344 HD2 -0.27 0.08 -0.08 -0.04 7.28 6.96 1feaD1 PHE 344 HE2 -0.48 0.02 -0.16 -0.04 7.38 6.72 1feaD1 PHE 344 HZ -0.09 0.02 -0.20 -0.04 7.32 7.02 1feaD1 VAL 345 H 0.10 0.32 -0.32 -0.55 8.24 7.78 1feaD1 VAL 345 HA -0.36 0.02 0.34 -0.75 4.13 3.39 1feaD1 VAL 345 HB 0.10 0.09 0.08 -0.04 2.12 2.34 1feaD1 VAL 345 HG13 0.17 -0.01 -0.22 -0.04 0.97 0.87 1feaD1 VAL 345 HG23 0.22 0.06 0.09 -0.04 0.95 1.27 1feaD1 ASP 346 H -0.02 0.37 -0.19 -0.55 8.40 8.02 1feaD1 ASP 346 HA -0.05 0.00 0.20 -0.75 4.63 4.03 1feaD1 ASP 346 HB2 -0.01 0.08 0.14 -0.04 2.71 2.87 1feaD1 ASP 346 HB3 -0.01 0.30 -0.00 -0.04 2.70 2.94 1feaD1 THR 347 H -0.11 0.46 -0.25 -0.55 8.28 7.83 1feaD1 THR 347 HA -0.10 -0.08 0.03 -0.75 4.39 3.49 1feaD1 THR 347 HB -0.23 0.19 0.17 -0.04 4.32 4.41 1feaD1 THR 347 HG23 -0.00 -0.01 -0.07 -0.04 1.22 1.10 1feaD1 VAL 348 H -0.75 0.48 -0.05 -0.55 8.24 7.37 1feaD1 VAL 348 HA -0.55 0.23 1.00 -0.75 4.13 4.06 1feaD1 VAL 348 HB -1.21 -0.00 0.10 -0.04 2.12 0.97 1feaD1 VAL 348 HG13 -1.16 0.05 -0.04 -0.04 0.97 -0.23 1feaD1 VAL 348 HG23 -2.32 -0.01 -0.19 -0.04 0.95 -1.61 1feaD1 PHE 349 H -0.55 0.74 0.12 -0.55 8.34 8.09 1feaD1 PHE 349 HA -0.32 0.25 1.05 -0.75 4.62 4.84 1feaD1 PHE 349 HB2 -0.69 -0.04 -0.03 -0.04 3.15 2.35 1feaD1 PHE 349 HB3 -0.56 0.04 0.10 -0.04 3.06 2.60 1feaD1 PHE 349 HD2 -0.28 -0.00 0.01 -0.04 7.28 6.96 1feaD1 PHE 349 HE2 -0.13 -0.04 -0.09 -0.04 7.38 7.09 1feaD1 PHE 349 HZ -0.08 0.02 -0.18 -0.04 7.32 7.04 1feaD1 ALA 350 H -0.29 0.46 0.13 -0.55 8.40 8.15 1feaD1 ALA 350 HA -0.08 0.20 0.81 -0.75 4.34 4.51 1feaD1 ALA 350 HB3 -0.02 -0.03 0.03 -0.04 1.41 1.35 1feaD1 ASN 351 H -0.21 0.04 -0.17 -0.55 8.53 7.65 1feaD1 ASN 351 HA -0.13 0.21 0.32 -0.75 4.76 4.41 1feaD1 ASN 351 HB2 -0.05 0.08 -0.48 -0.04 2.88 2.39 1feaD1 ASN 351 HB3 -0.05 -0.07 0.19 -0.04 2.79 2.82 1feaD1 ASN 351 HD21 -0.08 -0.03 0.02 -0.04 7.03 6.90 1feaD1 ASN 351 HD22 -0.10 0.03 0.09 -0.04 7.74 7.73 1feaD1 LYS 352 H -0.07 0.21 -0.80 -0.55 8.42 7.20 1feaD1 LYS 352 HA -0.01 0.25 0.94 -0.75 4.32 4.75 1feaD1 LYS 352 HB2 0.01 -0.04 0.02 -0.04 1.87 1.82 1feaD1 LYS 352 HB3 -0.01 0.13 -0.09 -0.04 1.79 1.78 1feaD1 LYS 352 HG2 -0.01 -0.02 -0.07 -0.04 1.46 1.33 1feaD1 LYS 352 HG3 0.01 -0.10 0.04 -0.04 1.46 1.37 1feaD1 LYS 352 HD2 0.01 0.07 -0.02 -0.04 1.69 1.71 1feaD1 LYS 352 HD3 0.02 -0.05 -0.01 -0.04 1.68 1.60 1feaD1 LYS 352 HE2 0.02 -0.05 -0.03 -0.04 2.99 2.88 1feaD1 LYS 352 HE3 0.01 0.04 -0.02 -0.04 2.99 2.98 1feaD1 PRO 353 HA 0.10 -0.07 0.29 -0.51 4.44 4.25 1feaD1 PRO 353 HB2 0.17 -0.02 -0.04 -0.04 2.28 2.35 1feaD1 PRO 353 HB3 -0.06 0.05 0.06 -0.04 2.02 2.02 1feaD1 PRO 353 HG2 0.07 -0.01 0.05 -0.04 2.03 2.09 1feaD1 PRO 353 HG3 -0.03 0.03 0.02 -0.04 2.03 2.01 1feaD1 PRO 353 HD2 -0.00 0.16 0.07 -0.04 3.68 3.87 1feaD1 PRO 353 HD3 -0.04 0.19 -0.21 -0.04 3.65 3.56 1feaD1 ARG 354 H 0.17 0.20 0.26 -0.55 8.46 8.53 1feaD1 ARG 354 HA 0.04 0.16 0.82 -0.75 4.34 4.61 1feaD1 ARG 354 HB2 0.03 0.08 0.12 -0.04 1.90 2.10 1feaD1 ARG 354 HB3 0.01 -0.12 -0.02 -0.04 1.80 1.63 1feaD1 ARG 354 HG2 0.01 0.00 0.10 -0.04 1.67 1.74 1feaD1 ARG 354 HG3 0.02 0.12 -0.04 -0.04 1.67 1.73 1feaD1 ARG 354 HD2 -0.01 -0.07 -0.05 -0.04 3.22 3.06 1feaD1 ARG 354 HD3 0.00 0.00 -0.01 -0.04 3.22 3.17 1feaD1 ALA 355 H -0.10 0.25 0.11 -0.55 8.40 8.11 1feaD1 ALA 355 HA -0.22 0.16 0.82 -0.75 4.34 4.35 1feaD1 ALA 355 HB3 -0.50 0.02 -0.06 -0.04 1.41 0.83 1feaD1 THR 356 H -0.06 0.19 0.09 -0.55 8.28 7.94 1feaD1 THR 356 HA -0.14 0.04 0.46 -0.75 4.39 3.99 1feaD1 THR 356 HB -0.14 0.01 0.10 -0.04 4.32 4.25 1feaD1 THR 356 HG23 -0.55 -0.01 -0.23 -0.04 1.22 0.39 1feaD1 ASP 357 H -0.16 0.17 0.20 -0.55 8.40 8.06 1feaD1 ASP 357 HA -0.09 0.08 0.55 -0.75 4.63 4.41 1feaD1 ASP 357 HB2 -0.07 0.10 0.14 -0.04 2.71 2.84 1feaD1 ASP 357 HB3 -0.08 0.02 0.23 -0.04 2.70 2.82 1feaD1 HIS 358 H 0.01 0.26 0.20 -0.55 8.41 8.33 1feaD1 HIS 358 HA -0.02 0.11 0.66 -0.75 4.63 4.63 1feaD1 HIS 358 HB2 -0.01 0.05 0.10 -0.04 3.26 3.36 1feaD1 HIS 358 HB3 -0.01 -0.05 0.14 -0.04 3.20 3.24 1feaD1 HIS 358 HD2 0.00 -0.11 -0.01 -0.04 6.97 6.81 1feaD1 HIS 358 HE1 -0.00 0.04 0.02 -0.04 7.75 7.77 1feaD1 THR 359 H -0.03 0.14 -0.56 -0.55 8.28 7.29 1feaD1 THR 359 HA -0.03 0.18 0.92 -0.75 4.39 4.70 1feaD1 THR 359 HB -0.07 -0.05 0.13 -0.04 4.32 4.29 1feaD1 THR 359 HG23 0.01 0.00 -0.15 -0.04 1.22 1.04 1feaD1 LYS 360 H -0.12 0.14 0.13 -0.55 8.42 8.02 1feaD1 LYS 360 HA -0.11 -0.01 0.29 -0.75 4.32 3.74 1feaD1 LYS 360 HB2 -0.05 0.18 -0.10 -0.04 1.87 1.86 1feaD1 LYS 360 HB3 -0.06 0.01 0.08 -0.04 1.79 1.78 1feaD1 LYS 360 HG2 -0.08 -0.16 -0.18 -0.04 1.46 1.00 1feaD1 LYS 360 HG3 -0.04 0.11 -0.16 -0.04 1.46 1.32 1feaD1 LYS 360 HD2 -0.07 -0.01 -0.10 -0.04 1.69 1.48 1feaD1 LYS 360 HD3 -0.13 -0.07 0.04 -0.04 1.68 1.47 1feaD1 LYS 360 HE2 -0.05 0.07 0.02 -0.04 2.99 3.00 1feaD1 LYS 360 HE3 -0.05 -0.08 -0.01 -0.04 2.99 2.82 1feaD1 VAL 361 H -0.06 -0.02 -0.56 -0.55 8.24 7.05 1feaD1 VAL 361 HA -0.04 0.15 0.63 -0.75 4.13 4.11 1feaD1 VAL 361 HB -0.02 -0.06 -0.04 -0.04 2.12 1.96 1feaD1 VAL 361 HG13 -0.01 0.02 -0.05 -0.04 0.97 0.89 1feaD1 VAL 361 HG23 -0.01 -0.00 -0.32 -0.04 0.95 0.57 1feaD1 ALA 362 H -0.03 0.14 0.18 -0.55 8.40 8.14 1feaD1 ALA 362 HA -0.06 0.19 0.98 -0.75 4.34 4.69 1feaD1 ALA 362 HB3 -0.03 0.01 0.12 -0.04 1.41 1.47 1feaD1 CYS 363 H -0.04 0.56 0.34 -0.55 8.50 8.81 1feaD1 CYS 363 HA -0.03 0.06 0.54 -0.75 4.58 4.40 1feaD1 CYS 363 HB2 -0.07 -0.04 0.11 -0.04 2.97 2.93 1feaD1 CYS 363 HB3 -0.05 0.09 -0.29 -0.04 2.97 2.68 1feaD1 ALA 364 H -0.09 0.18 0.21 -0.55 8.40 8.16 1feaD1 ALA 364 HA -0.18 0.31 1.02 -0.75 4.34 4.73 1feaD1 ALA 364 HB3 -0.50 0.01 0.02 -0.04 1.41 0.90 1feaD1 VAL 365 H -0.29 0.71 0.28 -0.55 8.24 8.39 1feaD1 VAL 365 HA -0.12 0.09 0.77 -0.75 4.13 4.11 1feaD1 VAL 365 HB -0.20 -0.03 0.22 -0.04 2.12 2.07 1feaD1 VAL 365 HG13 -0.13 -0.01 -0.04 -0.04 0.97 0.76 1feaD1 VAL 365 HG23 -0.25 0.01 -0.16 -0.04 0.95 0.51 1feaD1 PHE 366 H 0.09 0.16 -0.02 -0.55 8.34 8.01 1feaD1 PHE 366 HA -0.03 0.17 0.80 -0.75 4.62 4.81 1feaD1 PHE 366 HB2 -0.02 -0.05 0.10 -0.04 3.15 3.14 1feaD1 PHE 366 HB3 -0.05 0.10 0.15 -0.04 3.06 3.23 1feaD1 PHE 366 HD2 -0.02 0.03 -0.03 -0.04 7.28 7.22 1feaD1 PHE 366 HE2 -0.02 -0.02 -0.05 -0.04 7.38 7.25 1feaD1 PHE 366 HZ -0.02 0.01 -0.06 -0.04 7.32 7.22 1feaD1 SER 367 H -0.08 0.17 -0.67 -0.55 8.46 7.33 1feaD1 SER 367 HA -0.02 0.14 0.33 -0.75 4.49 4.18 1feaD1 SER 367 HB2 -0.06 0.07 -0.08 -0.04 3.95 3.84 1feaD1 SER 367 HB3 -0.07 -0.17 -0.14 -0.04 3.93 3.50 1feaD1 ILE 368 H -0.02 0.23 -0.06 -0.55 8.25 7.84 1feaD1 ILE 368 HA -0.01 0.07 0.69 -0.75 4.18 4.17 1feaD1 ILE 368 HB 0.00 0.03 0.12 -0.04 1.89 2.00 1feaD1 ILE 368 HG12 -0.00 0.02 -0.15 -0.04 1.49 1.31 1feaD1 ILE 368 HG13 -0.01 -0.07 -0.37 -0.04 1.21 0.72 1feaD1 ILE 368 HG23 0.01 0.01 -0.10 -0.04 0.93 0.81 1feaD1 ILE 368 HD13 -0.00 0.03 -0.13 -0.04 0.88 0.74 1feaD1 PRO 369 HA -0.02 0.09 0.24 -0.51 4.44 4.24 1feaD1 PRO 369 HB2 -0.05 -0.08 0.01 -0.04 2.28 2.12 1feaD1 PRO 369 HB3 -0.03 0.04 0.05 -0.04 2.02 2.04 1feaD1 PRO 369 HG2 -0.06 -0.04 -0.08 -0.04 2.03 1.81 1feaD1 PRO 369 HG3 -0.02 0.09 0.01 -0.04 2.03 2.07 1feaD1 PRO 369 HD2 -0.02 0.02 -0.09 -0.04 3.68 3.56 1feaD1 PRO 369 HD3 0.05 0.21 0.36 -0.04 3.65 4.23 1feaD1 PRO 370 HA -0.11 0.04 0.68 -0.51 4.44 4.53 1feaD1 PRO 370 HB2 -0.18 -0.03 0.03 -0.04 2.28 2.06 1feaD1 PRO 370 HB3 -0.05 0.15 0.14 -0.04 2.02 2.21 1feaD1 PRO 370 HG2 -0.05 0.15 -0.09 -0.04 2.03 2.01 1feaD1 PRO 370 HG3 0.00 -0.09 0.05 -0.04 2.03 1.94 1feaD1 PRO 370 HD2 -0.02 -0.03 0.01 -0.04 3.68 3.60 1feaD1 PRO 370 HD3 -0.01 0.26 0.12 -0.04 3.65 3.98 1feaD1 MET 371 H -0.20 0.46 0.41 -0.55 8.47 8.60 1feaD1 MET 371 HA -0.13 0.32 1.21 -0.75 4.52 5.17 1feaD1 MET 371 HB2 -0.12 -0.17 0.06 -0.04 2.15 1.88 1feaD1 MET 371 HB3 -0.03 0.10 0.05 -0.04 2.03 2.10 1feaD1 MET 371 HG2 -0.11 0.07 -0.05 -0.04 2.63 2.49 1feaD1 MET 371 HG3 -0.13 -0.02 -0.34 -0.04 2.56 2.03 1feaD1 MET 371 HE3 0.02 -0.00 -0.14 -0.04 2.10 1.93 1feaD1 GLY 372 H -0.06 0.66 0.28 -0.55 8.43 8.76 1feaD1 GLY 372 HA2 -0.07 0.18 0.89 -0.51 4.01 4.50 1feaD1 GLY 372 HA3 -0.04 0.04 0.10 -0.51 4.01 3.59 1feaD1 VAL 373 H -0.00 0.62 0.38 -0.55 8.24 8.69 1feaD1 VAL 373 HA -0.03 0.23 0.89 -0.75 4.13 4.45 1feaD1 VAL 373 HB 0.14 0.00 0.19 -0.04 2.12 2.42 1feaD1 VAL 373 HG13 0.27 -0.07 -0.11 -0.04 0.97 1.02 1feaD1 VAL 373 HG23 -0.01 0.00 -0.10 -0.04 0.95 0.81 1feaD1 CYS 374 H -0.27 0.33 0.20 -0.55 8.50 8.21 1feaD1 CYS 374 HA -0.11 0.09 0.48 -0.75 4.58 4.29 1feaD1 CYS 374 HB2 -0.07 0.10 0.05 -0.04 2.97 3.01 1feaD1 CYS 374 HB3 -0.10 -0.04 -0.10 -0.04 2.97 2.69 1feaD1 GLY 375 H -0.13 0.15 0.12 -0.55 8.43 8.02 1feaD1 GLY 375 HA2 -0.23 -0.03 0.45 -0.51 4.01 3.70 1feaD1 GLY 375 HA3 -0.17 0.29 0.97 -0.51 4.01 4.59 1feaD1 TYR 376 H -0.13 0.71 0.16 -0.55 8.29 8.48 1feaD1 TYR 376 HA 0.04 0.01 0.21 -0.75 4.56 4.07 1feaD1 TYR 376 HB2 0.01 -0.01 -0.16 -0.04 3.06 2.87 1feaD1 TYR 376 HB3 0.04 -0.05 -0.29 -0.04 2.98 2.64 1feaD1 TYR 376 HD2 0.02 -0.05 -0.04 -0.04 7.15 7.05 1feaD1 TYR 376 HE2 0.16 0.03 -0.04 -0.04 6.85 6.96 1feaD1 VAL 377 H 0.20 0.15 0.11 -0.55 8.24 8.15 1feaD1 VAL 377 HA -0.01 0.11 0.58 -0.75 4.13 4.06 1feaD1 VAL 377 HB 0.04 0.12 0.12 -0.04 2.12 2.36 1feaD1 VAL 377 HG13 -0.01 -0.07 -0.05 -0.04 0.97 0.80 1feaD1 VAL 377 HG23 -0.14 0.02 -0.19 -0.04 0.95 0.61 1feaD1 GLU 378 H 0.02 0.22 0.05 -0.55 8.60 8.35 1feaD1 GLU 378 HA -0.02 0.09 0.39 -0.75 4.29 4.00 1feaD1 GLU 378 HB2 0.02 0.01 0.09 -0.04 2.09 2.17 1feaD1 GLU 378 HB3 -0.03 -0.20 0.00 -0.04 1.99 1.72 1feaD1 GLU 378 HG2 -0.06 0.06 -0.19 -0.04 2.34 2.11 1feaD1 GLU 378 HG3 0.17 0.04 -0.09 -0.04 2.34 2.42 1feaD1 GLU 379 H -0.09 0.04 -0.28 -0.55 8.60 7.73 1feaD1 GLU 379 HA -0.27 0.09 0.34 -0.75 4.29 3.69 1feaD1 GLU 379 HB2 -0.05 0.01 -0.07 -0.04 2.09 1.94 1feaD1 GLU 379 HB3 -0.08 0.10 0.00 -0.04 1.99 1.98 1feaD1 GLU 379 HG2 -0.02 0.10 -0.02 -0.04 2.34 2.36 1feaD1 GLU 379 HG3 -0.08 -0.06 -0.03 -0.04 2.34 2.14 1feaD1 ASP 380 H -0.03 0.16 -0.09 -0.55 8.40 7.89 1feaD1 ASP 380 HA -0.06 0.13 0.54 -0.75 4.63 4.48 1feaD1 ASP 380 HB2 0.06 -0.08 0.08 -0.04 2.71 2.73 1feaD1 ASP 380 HB3 -0.01 0.06 -0.02 -0.04 2.70 2.69 1feaD1 ALA 381 H -0.10 0.33 -0.23 -0.55 8.40 7.86 1feaD1 ALA 381 HA -0.33 0.05 0.31 -0.75 4.34 3.62 1feaD1 ALA 381 HB3 -0.05 0.02 -0.04 -0.04 1.41 1.29 1feaD1 ALA 382 H -0.17 0.67 0.01 -0.55 8.40 8.37 1feaD1 ALA 382 HA 0.02 0.03 0.35 -0.75 4.34 3.98 1feaD1 ALA 382 HB3 -0.33 -0.02 -0.01 -0.04 1.41 1.00 1feaD1 LYS 383 H -0.10 0.34 -0.56 -0.55 8.42 7.55 1feaD1 LYS 383 HA -0.04 0.08 0.60 -0.75 4.32 4.21 1feaD1 LYS 383 HB2 -0.07 0.12 0.06 -0.04 1.87 1.94 1feaD1 LYS 383 HB3 -0.05 -0.05 0.15 -0.04 1.79 1.80 1feaD1 LYS 383 HG2 -0.03 -0.01 0.03 -0.04 1.46 1.41 1feaD1 LYS 383 HG3 -0.06 0.03 0.03 -0.04 1.46 1.41 1feaD1 LYS 383 HD2 -0.03 -0.02 0.02 -0.04 1.69 1.62 1feaD1 LYS 383 HD3 -0.03 -0.06 -0.01 -0.04 1.68 1.54 1feaD1 LYS 383 HE2 -0.05 0.11 -0.10 -0.04 2.99 2.91 1feaD1 LYS 383 HE3 -0.05 0.08 0.05 -0.04 2.99 3.03 1feaD1 LYS 384 H -0.06 0.50 -0.27 -0.55 8.42 8.03 1feaD1 LYS 384 HA -0.19 0.16 0.79 -0.75 4.32 4.33 1feaD1 LYS 384 HB2 -0.23 0.03 -0.03 -0.04 1.87 1.60 1feaD1 LYS 384 HB3 -0.32 -0.02 0.09 -0.04 1.79 1.50 1feaD1 LYS 384 HG2 -0.64 -0.08 -0.03 -0.04 1.46 0.67 1feaD1 LYS 384 HG3 -0.43 -0.01 0.15 -0.04 1.46 1.13 1feaD1 LYS 384 HD2 -0.12 -0.03 0.02 -0.04 1.69 1.52 1feaD1 LYS 384 HD3 -0.14 0.06 0.04 -0.04 1.68 1.61 1feaD1 LYS 384 HE2 -0.17 0.04 -0.07 -0.04 2.99 2.75 1feaD1 LYS 384 HE3 -0.08 -0.05 -0.04 -0.04 2.99 2.78 1feaD1 TYR 385 H 0.08 0.40 0.20 -0.55 8.29 8.42 1feaD1 TYR 385 HA -0.00 0.17 0.96 -0.75 4.56 4.94 1feaD1 TYR 385 HB2 -0.00 -0.01 -0.07 -0.04 3.06 2.93 1feaD1 TYR 385 HB3 0.03 -0.11 0.03 -0.04 2.98 2.89 1feaD1 TYR 385 HD2 -0.08 0.04 0.02 -0.04 7.15 7.10 1feaD1 TYR 385 HE2 -0.16 -0.01 -0.03 -0.04 6.85 6.61 1feaD1 ASP 386 H 0.12 0.14 0.16 -0.55 8.40 8.27 1feaD1 ASP 386 HA 0.06 0.11 0.53 -0.75 4.63 4.58 1feaD1 ASP 386 HB2 0.06 0.03 0.18 -0.04 2.71 2.94 1feaD1 ASP 386 HB3 0.08 -0.02 0.10 -0.04 2.70 2.82 1feaD1 GLN 387 H 0.16 0.06 0.02 -0.55 8.47 8.16 1feaD1 GLN 387 HA 0.17 0.60 1.03 -0.75 4.36 5.40 1feaD1 GLN 387 HB2 0.14 0.03 0.05 -0.04 2.15 2.34 1feaD1 GLN 387 HB3 0.09 0.11 -0.00 -0.04 2.02 2.18 1feaD1 GLN 387 HG2 0.10 -0.02 -0.04 -0.04 2.40 2.40 1feaD1 GLN 387 HG3 0.16 -0.19 0.10 -0.04 2.39 2.42 1feaD1 GLN 387 HE21 0.03 0.04 -0.05 -0.04 6.97 6.95 1feaD1 GLN 387 HE22 0.04 0.01 -0.05 -0.04 7.69 7.65 1feaD1 VAL 388 H 0.24 0.49 0.34 -0.55 8.24 8.77 1feaD1 VAL 388 HA 0.18 -0.10 1.18 -0.75 4.13 4.63 1feaD1 VAL 388 HB 0.07 0.20 0.17 -0.04 2.12 2.52 1feaD1 VAL 388 HG13 0.14 0.02 -0.31 -0.04 0.97 0.78 1feaD1 VAL 388 HG23 0.24 -0.01 -0.16 -0.04 0.95 0.99 1feaD1 ALA 389 H 0.11 0.48 0.32 -0.55 8.40 8.76 1feaD1 ALA 389 HA -0.44 0.26 0.99 -0.75 4.34 4.40 1feaD1 ALA 389 HB3 -0.17 0.01 -0.02 -0.04 1.41 1.19 1feaD1 VAL 390 H -0.72 0.62 0.35 -0.55 8.24 7.95 1feaD1 VAL 390 HA -0.13 0.31 1.15 -0.75 4.13 4.71 1feaD1 VAL 390 HB -1.20 0.00 0.18 -0.04 2.12 1.06 1feaD1 VAL 390 HG13 -0.19 -0.01 -0.18 -0.04 0.97 0.54 1feaD1 VAL 390 HG23 -0.03 -0.01 -0.19 -0.04 0.95 0.68 1feaD1 TYR 391 H 0.22 0.65 0.29 -0.55 8.29 8.90 1feaD1 TYR 391 HA -0.14 0.08 0.82 -0.75 4.56 4.56 1feaD1 TYR 391 HB2 -0.05 -0.05 0.08 -0.04 3.06 3.00 1feaD1 TYR 391 HB3 -0.03 0.10 -0.08 -0.04 2.98 2.93 1feaD1 TYR 391 HD2 -0.06 0.13 -0.25 -0.04 7.15 6.93 1feaD1 TYR 391 HE2 0.02 0.04 -0.44 -0.04 6.85 6.44 1feaD1 GLU 392 H 0.03 0.30 0.28 -0.55 8.60 8.66 1feaD1 GLU 392 HA 0.08 0.26 1.15 -0.75 4.29 5.01 1feaD1 GLU 392 HB2 0.02 -0.08 -0.14 -0.04 2.09 1.85 1feaD1 GLU 392 HB3 0.04 0.02 0.07 -0.04 1.99 2.08 1feaD1 GLU 392 HG2 0.07 0.02 -0.24 -0.04 2.34 2.16 1feaD1 GLU 392 HG3 0.07 0.03 0.03 -0.04 2.34 2.43 1feaD1 SER 393 H 0.11 0.55 0.38 -0.55 8.46 8.95 1feaD1 SER 393 HA 0.13 0.10 0.67 -0.75 4.49 4.63 1feaD1 SER 393 HB2 0.13 0.14 -0.12 -0.04 3.95 4.05 1feaD1 SER 393 HB3 0.18 -0.07 -0.00 -0.04 3.93 4.00 1feaD1 SER 394 H 0.18 0.33 0.23 -0.55 8.46 8.66 1feaD1 SER 394 HA 0.11 0.35 0.88 -0.75 4.49 5.08 1feaD1 SER 394 HB2 0.06 -0.00 -0.07 -0.04 3.95 3.90 1feaD1 SER 394 HB3 0.09 -0.04 0.00 -0.04 3.93 3.94 1feaD1 PHE 395 H -0.17 0.68 0.35 -0.55 8.34 8.65 1feaD1 PHE 395 HA 0.07 0.10 0.64 -0.75 4.62 4.67 1feaD1 PHE 395 HB2 0.06 0.04 0.04 -0.04 3.15 3.25 1feaD1 PHE 395 HB3 0.07 0.09 -0.30 -0.04 3.06 2.88 1feaD1 PHE 395 HD2 0.09 0.05 -0.45 -0.04 7.28 6.93 1feaD1 PHE 395 HE2 0.05 -0.04 -0.13 -0.04 7.38 7.22 1feaD1 PHE 395 HZ -0.37 -0.10 0.02 -0.04 7.32 6.83 1feaD1 THR 396 H 0.19 0.19 0.12 -0.55 8.28 8.23 1feaD1 THR 396 HA 0.01 0.21 0.88 -0.75 4.39 4.74 1feaD1 THR 396 HB 0.10 -0.04 0.05 -0.04 4.32 4.38 1feaD1 THR 396 HG23 0.09 0.08 -0.18 -0.04 1.22 1.17 1feaD1 PRO 397 HA 0.25 0.03 0.54 -0.51 4.44 4.76 1feaD1 PRO 397 HB2 -0.12 -0.07 0.08 -0.04 2.28 2.13 1feaD1 PRO 397 HB3 0.01 -0.00 0.09 -0.04 2.02 2.08 1feaD1 PRO 397 HG2 0.15 0.04 0.11 -0.04 2.03 2.29 1feaD1 PRO 397 HG3 0.11 0.01 0.07 -0.04 2.03 2.19 1feaD1 PRO 397 HD2 0.22 0.29 0.30 -0.04 3.68 4.46 1feaD1 PRO 397 HD3 -0.06 0.17 0.40 -0.04 3.65 4.11 1feaD1 LEU 398 H 0.07 0.16 0.16 -0.55 8.37 8.22 1feaD1 LEU 398 HA 0.06 0.15 0.35 -0.75 4.35 4.16 1feaD1 LEU 398 HB2 0.03 -0.01 0.17 -0.04 1.64 1.79 1feaD1 LEU 398 HB3 0.03 0.03 -0.03 -0.04 1.64 1.63 1feaD1 LEU 398 HG 0.03 0.04 0.06 -0.04 1.64 1.72 1feaD1 LEU 398 HD13 0.01 0.01 -0.00 -0.04 0.93 0.91 1feaD1 LEU 398 HD23 0.03 0.01 0.07 -0.04 0.89 0.95 1feaD1 MET 399 H -0.02 0.07 -0.21 -0.55 8.47 7.76 1feaD1 MET 399 HA 0.16 0.12 0.36 -0.75 4.52 4.40 1feaD1 MET 399 HB2 0.22 0.08 0.06 -0.04 2.15 2.47 1feaD1 MET 399 HB3 0.01 0.01 0.07 -0.04 2.03 2.08 1feaD1 MET 399 HG2 -0.32 -0.10 -0.03 -0.04 2.63 2.14 1feaD1 MET 399 HG3 -0.65 0.07 -0.21 -0.04 2.56 1.72 1feaD1 MET 399 HE3 -0.05 0.01 -0.09 -0.04 2.10 1.93 1feaD1 HIS 400 H -0.10 0.35 -0.50 -0.55 8.41 7.62 1feaD1 HIS 400 HA 0.04 -0.04 0.25 -0.75 4.63 4.13 1feaD1 HIS 400 HB2 -0.01 0.19 -0.00 -0.04 3.26 3.40 1feaD1 HIS 400 HB3 -0.07 0.04 -0.22 -0.04 3.20 2.91 1feaD1 HIS 400 HD2 -0.03 0.17 0.12 -0.04 6.97 7.18 1feaD1 HIS 400 HE1 -0.01 0.02 -0.05 -0.04 7.75 7.67 1feaD1 ASN 401 H 0.05 0.51 -0.48 -0.55 8.53 8.07 1feaD1 ASN 401 HA 0.04 0.09 0.61 -0.75 4.76 4.74 1feaD1 ASN 401 HB2 0.02 0.17 0.18 -0.04 2.88 3.21 1feaD1 ASN 401 HB3 0.01 0.00 0.03 -0.04 2.79 2.79 1feaD1 ASN 401 HD21 0.04 -0.02 -0.02 -0.04 7.03 6.99 1feaD1 ASN 401 HD22 0.03 0.02 0.03 -0.04 7.74 7.78 1feaD1 ILE 402 H -0.02 0.19 -0.03 -0.55 8.25 7.83 1feaD1 ILE 402 HA -0.13 0.08 0.41 -0.75 4.18 3.79 1feaD1 ILE 402 HB -0.29 0.10 0.18 -0.04 1.89 1.84 1feaD1 ILE 402 HG12 -0.11 0.00 0.01 -0.04 1.49 1.35 1feaD1 ILE 402 HG13 -0.05 0.02 0.07 -0.04 1.21 1.20 1feaD1 ILE 402 HG23 -0.74 -0.02 -0.09 -0.04 0.93 0.03 1feaD1 ILE 402 HD13 -0.09 -0.01 -0.01 -0.04 0.88 0.73 1feaD1 SER 403 H 0.06 0.48 0.06 -0.55 8.46 8.50 1feaD1 SER 403 HA 0.12 0.15 0.39 -0.75 4.49 4.40 1feaD1 SER 403 HB2 0.32 -0.01 0.02 -0.04 3.95 4.24 1feaD1 SER 403 HB3 0.32 0.10 -0.10 -0.04 3.93 4.20 1feaD1 GLY 404 H 0.07 0.27 -0.33 -0.55 8.43 7.90 1feaD1 GLY 404 HA2 0.04 0.08 0.26 -0.51 4.01 3.87 1feaD1 GLY 404 HA3 0.05 0.21 0.67 -0.51 4.01 4.43 1feaD1 SER 405 H 0.02 0.07 -0.16 -0.55 8.46 7.85 1feaD1 SER 405 HA -0.15 0.22 0.76 -0.75 4.49 4.57 1feaD1 SER 405 HB2 -0.65 -0.06 0.19 -0.04 3.95 3.39 1feaD1 SER 405 HB3 -0.90 0.02 0.14 -0.04 3.93 3.15 1feaD1 THR 406 H -0.00 0.43 -0.60 -0.55 8.28 7.56 1feaD1 THR 406 HA -0.00 0.05 0.28 -0.75 4.39 3.97 1feaD1 THR 406 HB 0.04 -0.03 0.05 -0.04 4.32 4.33 1feaD1 THR 406 HG23 0.04 -0.01 0.00 -0.04 1.22 1.21 1feaD1 TYR 407 H -0.21 0.07 -0.66 -0.55 8.29 6.93 1feaD1 TYR 407 HA -0.01 0.14 0.70 -0.75 4.56 4.64 1feaD1 TYR 407 HB2 -0.03 0.00 0.08 -0.04 3.06 3.07 1feaD1 TYR 407 HB3 -0.02 0.02 0.04 -0.04 2.98 2.98 1feaD1 TYR 407 HD2 -0.04 -0.03 -0.12 -0.04 7.15 6.91 1feaD1 TYR 407 HE2 -0.05 0.04 -0.03 -0.04 6.85 6.77 1feaD1 LYS 408 H -0.55 0.56 -0.15 -0.55 8.42 7.74 1feaD1 LYS 408 HA -0.16 0.10 0.59 -0.75 4.32 4.09 1feaD1 LYS 408 HB2 -0.76 0.08 0.26 -0.04 1.87 1.41 1feaD1 LYS 408 HB3 -0.32 -0.11 0.12 -0.04 1.79 1.44 1feaD1 LYS 408 HG2 -0.43 0.03 -0.01 -0.04 1.46 1.00 1feaD1 LYS 408 HG3 -1.39 -0.00 0.07 -0.04 1.46 0.09 1feaD1 LYS 408 HD2 -0.93 -0.02 0.07 -0.04 1.69 0.77 1feaD1 LYS 408 HD3 -0.54 -0.10 0.03 -0.04 1.68 1.04 1feaD1 LYS 408 HE2 -0.11 0.00 -0.05 -0.04 2.99 2.80 1feaD1 LYS 408 HE3 -0.20 0.07 -0.01 -0.04 2.99 2.80 1feaD1 LYS 409 H -0.04 0.37 0.09 -0.55 8.42 8.28 1feaD1 LYS 409 HA -0.07 0.09 0.46 -0.75 4.32 4.04 1feaD1 LYS 409 HB2 -0.04 -0.02 0.05 -0.04 1.87 1.82 1feaD1 LYS 409 HB3 -0.06 -0.00 -0.12 -0.04 1.79 1.56 1feaD1 LYS 409 HG2 0.01 -0.04 -0.22 -0.04 1.46 1.16 1feaD1 LYS 409 HG3 0.01 0.12 -0.14 -0.04 1.46 1.40 1feaD1 LYS 409 HD2 0.01 -0.03 -0.06 -0.04 1.69 1.56 1feaD1 LYS 409 HD3 0.02 -0.05 -0.13 -0.04 1.68 1.47 1feaD1 LYS 409 HE2 0.03 -0.03 -0.07 -0.04 2.99 2.89 1feaD1 LYS 409 HE3 0.03 0.07 -0.05 -0.04 2.99 3.00 1feaD1 PHE 410 H -0.39 0.77 0.50 -0.55 8.34 8.67 1feaD1 PHE 410 HA -0.21 0.19 0.83 -0.75 4.62 4.68 1feaD1 PHE 410 HB2 -0.53 -0.03 0.15 -0.04 3.15 2.69 1feaD1 PHE 410 HB3 -1.60 -0.04 0.03 -0.04 3.06 1.41 1feaD1 PHE 410 HD2 -0.01 -0.05 -0.14 -0.04 7.28 7.04 1feaD1 PHE 410 HE2 0.06 0.12 -0.25 -0.04 7.38 7.26 1feaD1 PHE 410 HZ 0.04 -0.09 -0.23 -0.04 7.32 7.00 1feaD1 MET 411 H -0.84 0.45 0.35 -0.55 8.47 7.88 1feaD1 MET 411 HA 0.06 0.28 1.12 -0.75 4.52 5.22 1feaD1 MET 411 HB2 -0.08 0.06 -0.39 -0.04 2.15 1.70 1feaD1 MET 411 HB3 -0.17 -0.05 0.07 -0.04 2.03 1.84 1feaD1 MET 411 HG2 -0.03 -0.12 -0.20 -0.04 2.63 2.24 1feaD1 MET 411 HG3 0.02 0.18 -0.02 -0.04 2.56 2.70 1feaD1 MET 411 HE3 0.03 0.01 -0.12 -0.04 2.10 1.97 1feaD1 VAL 412 H 0.17 0.55 0.33 -0.55 8.24 8.74 1feaD1 VAL 412 HA 0.09 0.23 1.06 -0.75 4.13 4.76 1feaD1 VAL 412 HB 0.19 0.01 -0.02 -0.04 2.12 2.26 1feaD1 VAL 412 HG13 0.15 -0.00 -0.13 -0.04 0.97 0.94 1feaD1 VAL 412 HG23 0.44 -0.01 -0.22 -0.04 0.95 1.11 1feaD1 ARG 413 H 0.11 0.52 0.38 -0.55 8.46 8.91 1feaD1 ARG 413 HA 0.08 0.33 1.10 -0.75 4.34 5.09 1feaD1 ARG 413 HB2 0.13 -0.09 0.14 -0.04 1.90 2.03 1feaD1 ARG 413 HB3 0.07 -0.03 0.07 -0.04 1.80 1.86 1feaD1 ARG 413 HG2 0.06 0.14 -0.63 -0.04 1.67 1.20 1feaD1 ARG 413 HG3 0.05 -0.03 -0.18 -0.04 1.67 1.47 1feaD1 ARG 413 HD2 0.06 0.06 -0.04 -0.04 3.22 3.25 1feaD1 ARG 413 HD3 0.04 -0.01 -0.13 -0.04 3.22 3.08 1feaD1 ILE 414 H 0.09 0.82 0.37 -0.55 8.25 8.98 1feaD1 ILE 414 HA 0.01 0.28 1.30 -0.75 4.18 5.01 1feaD1 ILE 414 HB -0.04 -0.06 0.14 -0.04 1.89 1.90 1feaD1 ILE 414 HG12 -0.05 0.04 -0.24 -0.04 1.49 1.21 1feaD1 ILE 414 HG13 -0.02 0.01 -0.27 -0.04 1.21 0.90 1feaD1 ILE 414 HG23 -0.28 0.00 -0.28 -0.04 0.93 0.33 1feaD1 ILE 414 HD13 -0.32 0.01 -0.05 -0.04 0.88 0.48 1feaD1 VAL 415 H 0.03 0.63 0.34 -0.55 8.24 8.69 1feaD1 VAL 415 HA 0.05 0.30 1.01 -0.75 4.13 4.74 1feaD1 VAL 415 HB 0.10 0.03 0.12 -0.04 2.12 2.32 1feaD1 VAL 415 HG13 0.05 -0.00 -0.09 -0.04 0.97 0.88 1feaD1 VAL 415 HG23 0.12 -0.06 -0.06 -0.04 0.95 0.91 1feaD1 THR 416 H 0.07 0.59 0.42 -0.55 8.28 8.80 1feaD1 THR 416 HA -0.05 0.12 1.00 -0.75 4.39 4.71 1feaD1 THR 416 HB 0.02 0.01 -0.27 -0.04 4.32 4.04 1feaD1 THR 416 HG23 -0.09 0.00 -0.28 -0.04 1.22 0.81 1feaD1 ASN 417 H -0.08 0.67 0.20 -0.55 8.53 8.78 1feaD1 ASN 417 HA -0.10 0.11 0.79 -0.75 4.76 4.81 1feaD1 ASN 417 HB2 -0.36 0.11 0.14 -0.04 2.88 2.73 1feaD1 ASN 417 HB3 -0.07 -0.14 0.28 -0.04 2.79 2.82 1feaD1 ASN 417 HD21 0.19 0.03 0.08 -0.04 7.03 7.29 1feaD1 ASN 417 HD22 0.11 0.09 0.07 -0.04 7.74 7.97 1feaD1 HIS 418 H 0.20 0.50 0.48 -0.55 8.41 9.05 1feaD1 HIS 418 HA 0.12 0.04 0.10 -0.75 4.63 4.13 1feaD1 HIS 418 HB2 0.23 -0.13 -0.31 -0.04 3.26 3.01 1feaD1 HIS 418 HB3 0.13 0.02 -0.15 -0.04 3.20 3.15 1feaD1 HIS 418 HD2 0.02 0.00 -0.14 -0.04 6.97 6.80 1feaD1 HIS 418 HE1 0.28 0.05 -0.03 -0.04 7.75 8.00 1feaD1 ALA 419 H 0.08 0.07 -0.19 -0.55 8.40 7.82 1feaD1 ALA 419 HA -0.01 0.10 0.35 -0.75 4.34 4.03 1feaD1 ALA 419 HB3 0.05 -0.02 0.11 -0.04 1.41 1.51 1feaD1 ASP 420 H -0.00 0.00 0.00 -0.55 8.40 7.86 1feaD1 ASP 420 HA -0.02 0.27 0.84 -0.75 4.63 4.97 1feaD1 ASP 420 HB2 -0.00 0.07 0.12 -0.04 2.71 2.85 1feaD1 ASP 420 HB3 0.01 0.01 0.04 -0.04 2.70 2.73 1feaD1 GLY 421 H -0.04 0.53 -0.01 -0.55 8.43 8.37 1feaD1 GLY 421 HA2 -0.01 0.04 0.24 -0.51 4.01 3.77 1feaD1 GLY 421 HA3 -0.03 0.09 0.60 -0.51 4.01 4.16 1feaD1 GLU 422 H -0.03 0.02 -0.07 -0.55 8.60 7.97 1feaD1 GLU 422 HA -0.04 0.25 0.64 -0.75 4.29 4.38 1feaD1 GLU 422 HB2 -0.01 0.03 0.06 -0.04 2.09 2.12 1feaD1 GLU 422 HB3 -0.05 -0.18 0.12 -0.04 1.99 1.84 1feaD1 GLU 422 HG2 -0.03 0.20 -0.19 -0.04 2.34 2.27 1feaD1 GLU 422 HG3 -0.01 0.13 -0.04 -0.04 2.34 2.38 1feaD1 VAL 423 H -0.08 0.69 0.29 -0.55 8.24 8.59 1feaD1 VAL 423 HA -0.14 -0.00 0.55 -0.75 4.13 3.77 1feaD1 VAL 423 HB -0.11 0.12 0.03 -0.04 2.12 2.12 1feaD1 VAL 423 HG13 -0.25 -0.01 -0.24 -0.04 0.97 0.43 1feaD1 VAL 423 HG23 -0.57 -0.02 -0.27 -0.04 0.95 0.04 1feaD1 LEU 424 H -0.07 0.57 0.49 -0.55 8.37 8.81 1feaD1 LEU 424 HA -0.03 0.17 0.80 -0.75 4.35 4.54 1feaD1 LEU 424 HB2 0.02 0.04 -0.15 -0.04 1.64 1.51 1feaD1 LEU 424 HB3 0.28 -0.15 -0.06 -0.04 1.64 1.67 1feaD1 LEU 424 HG 0.14 -0.02 -0.05 -0.04 1.64 1.67 1feaD1 LEU 424 HD13 -0.22 0.07 -0.16 -0.04 0.93 0.57 1feaD1 LEU 424 HD23 -0.38 -0.05 -0.32 -0.04 0.89 0.09 1feaD1 GLY 425 H -0.06 0.44 0.24 -0.55 8.43 8.50 1feaD1 GLY 425 HA2 -0.17 0.23 0.68 -0.51 4.01 4.24 1feaD1 GLY 425 HA3 -0.09 0.09 0.27 -0.51 4.01 3.77 1feaD1 VAL 426 H -0.32 0.74 0.31 -0.55 8.24 8.42 1feaD1 VAL 426 HA -0.13 0.21 1.00 -0.75 4.13 4.46 1feaD1 VAL 426 HB -0.06 -0.02 0.07 -0.04 2.12 2.07 1feaD1 VAL 426 HG13 0.06 -0.00 -0.07 -0.04 0.97 0.92 1feaD1 VAL 426 HG23 -0.09 -0.00 -0.19 -0.04 0.95 0.62 1feaD1 HIS 427 H 0.03 0.61 0.37 -0.55 8.41 8.88 1feaD1 HIS 427 HA 0.01 0.13 1.06 -0.75 4.63 5.07 1feaD1 HIS 427 HB2 0.02 -0.03 0.16 -0.04 3.26 3.37 1feaD1 HIS 427 HB3 0.03 -0.04 0.03 -0.04 3.20 3.18 1feaD1 HIS 427 HD2 0.01 0.08 -0.19 -0.04 6.97 6.82 1feaD1 HIS 427 HE1 -0.04 0.13 -0.34 -0.04 7.75 7.45 1feaD1 MET 428 H 0.03 0.78 0.45 -0.55 8.47 9.19 1feaD1 MET 428 HA -0.07 0.43 1.23 -0.75 4.52 5.35 1feaD1 MET 428 HB2 -0.01 0.03 0.14 -0.04 2.15 2.27 1feaD1 MET 428 HB3 -0.19 -0.01 -0.10 -0.04 2.03 1.69 1feaD1 MET 428 HG2 0.17 0.08 -0.07 -0.04 2.63 2.77 1feaD1 MET 428 HG3 0.10 -0.07 -0.25 -0.04 2.56 2.29 1feaD1 MET 428 HE3 0.09 -0.00 -0.20 -0.04 2.10 1.95 1feaD1 LEU 429 H -0.40 0.60 0.41 -0.55 8.37 8.43 1feaD1 LEU 429 HA -0.19 0.14 0.98 -0.75 4.35 4.52 1feaD1 LEU 429 HB2 -0.12 -0.09 -0.01 -0.04 1.64 1.38 1feaD1 LEU 429 HB3 -0.20 -0.01 0.17 -0.04 1.64 1.57 1feaD1 LEU 429 HG -0.17 0.11 -0.21 -0.04 1.64 1.33 1feaD1 LEU 429 HD13 -0.12 0.02 -0.12 -0.04 0.93 0.67 1feaD1 LEU 429 HD23 -0.08 0.00 -0.08 -0.04 0.89 0.69 1feaD1 GLY 430 H -0.21 0.86 0.24 -0.55 8.43 8.77 1feaD1 GLY 430 HA2 -0.13 0.05 0.28 -0.51 4.01 3.71 1feaD1 GLY 430 HA3 -0.50 0.15 0.97 -0.51 4.01 4.12 1feaD1 ASP 431 H 0.14 0.18 0.15 -0.55 8.40 8.32 1feaD1 ASP 431 HA 0.06 0.05 0.43 -0.75 4.63 4.41 1feaD1 ASP 431 HB2 0.14 0.01 0.12 -0.04 2.71 2.94 1feaD1 ASP 431 HB3 0.08 0.02 -0.02 -0.04 2.70 2.73 1feaD1 SER 432 H 0.07 0.17 0.17 -0.55 8.46 8.33 1feaD1 SER 432 HA 0.07 0.01 0.34 -0.75 4.49 4.15 1feaD1 SER 432 HB2 0.11 0.30 0.27 -0.04 3.95 4.59 1feaD1 SER 432 HB3 0.06 -0.07 0.15 -0.04 3.93 4.03 1feaD1 SER 433 H 0.12 0.51 -0.49 -0.55 8.46 8.05 1feaD1 SER 433 HA 0.15 -0.02 0.22 -0.75 4.49 4.08 1feaD1 SER 433 HB2 -0.01 -0.07 -0.03 -0.04 3.95 3.80 1feaD1 SER 433 HB3 0.04 0.04 -0.18 -0.04 3.93 3.79 1feaD1 PRO 434 HA -0.06 0.06 0.41 -0.51 4.44 4.34 1feaD1 PRO 434 HB2 0.08 0.03 -0.09 -0.04 2.28 2.26 1feaD1 PRO 434 HB3 -0.10 0.00 -0.02 -0.04 2.02 1.86 1feaD1 PRO 434 HG2 -0.30 0.07 -0.05 -0.04 2.03 1.71 1feaD1 PRO 434 HG3 -0.40 0.14 -0.08 -0.04 2.03 1.64 1feaD1 PRO 434 HD2 -0.00 -0.01 -0.14 -0.04 3.68 3.49 1feaD1 PRO 434 HD3 -0.09 0.18 -0.19 -0.04 3.65 3.51 1feaD1 GLU 435 H 0.05 0.22 -0.34 -0.55 8.60 7.97 1feaD1 GLU 435 HA 0.04 0.08 0.55 -0.75 4.29 4.20 1feaD1 GLU 435 HB2 0.04 0.16 0.16 -0.04 2.09 2.41 1feaD1 GLU 435 HB3 0.03 0.02 0.01 -0.04 1.99 2.01 1feaD1 GLU 435 HG2 0.07 -0.09 -0.02 -0.04 2.34 2.26 1feaD1 GLU 435 HG3 0.04 0.03 0.02 -0.04 2.34 2.39 1feaD1 ILE 436 H 0.06 0.56 0.03 -0.55 8.25 8.35 1feaD1 ILE 436 HA 0.03 0.04 0.39 -0.75 4.18 3.88 1feaD1 ILE 436 HB 0.12 0.05 0.01 -0.04 1.89 2.02 1feaD1 ILE 436 HG12 0.04 -0.05 -0.01 -0.04 1.49 1.44 1feaD1 ILE 436 HG13 0.08 0.25 -0.04 -0.04 1.21 1.45 1feaD1 ILE 436 HG23 0.09 -0.01 -0.13 -0.04 0.93 0.85 1feaD1 ILE 436 HD13 0.15 -0.02 -0.19 -0.04 0.88 0.77 1feaD1 ILE 437 H 0.03 0.52 -0.34 -0.55 8.25 7.91 1feaD1 ILE 437 HA 0.03 0.06 0.41 -0.75 4.18 3.92 1feaD1 ILE 437 HB 0.01 0.12 0.03 -0.04 1.89 2.01 1feaD1 ILE 437 HG12 -0.03 0.11 -0.16 -0.04 1.49 1.38 1feaD1 ILE 437 HG13 -0.02 -0.08 -0.01 -0.04 1.21 1.06 1feaD1 ILE 437 HG23 -0.02 0.05 -0.13 -0.04 0.93 0.80 1feaD1 ILE 437 HD13 -0.00 0.03 -0.25 -0.04 0.88 0.62 1feaD1 GLN 438 H 0.01 0.41 -0.41 -0.55 8.47 7.93 1feaD1 GLN 438 HA -0.00 0.04 0.38 -0.75 4.36 4.02 1feaD1 GLN 438 HB2 0.01 0.03 0.11 -0.04 2.15 2.26 1feaD1 GLN 438 HB3 0.01 0.14 0.10 -0.04 2.02 2.23 1feaD1 GLN 438 HG2 0.00 0.02 -0.03 -0.04 2.40 2.35 1feaD1 GLN 438 HG3 -0.01 -0.01 -0.24 -0.04 2.39 2.09 1feaD1 GLN 438 HE21 -0.01 -0.01 0.06 -0.04 6.97 6.97 1feaD1 GLN 438 HE22 -0.01 -0.06 0.22 -0.04 7.69 7.80 1feaD1 SER 439 H -0.01 0.31 -0.19 -0.55 8.46 8.03 1feaD1 SER 439 HA -0.02 0.14 0.74 -0.75 4.49 4.59 1feaD1 SER 439 HB2 -0.04 0.08 0.01 -0.04 3.95 3.96 1feaD1 SER 439 HB3 -0.04 0.02 0.09 -0.04 3.93 3.96 1feaD1 VAL 440 H -0.01 0.22 -0.37 -0.55 8.24 7.54 1feaD1 VAL 440 HA -0.02 0.09 0.46 -0.75 4.13 3.90 1feaD1 VAL 440 HB 0.02 0.14 0.08 -0.04 2.12 2.32 1feaD1 VAL 440 HG13 0.12 -0.01 -0.17 -0.04 0.97 0.87 1feaD1 VAL 440 HG23 0.04 0.05 -0.03 -0.04 0.95 0.97 1feaD1 ALA 441 H -0.01 0.33 -0.25 -0.55 8.40 7.93 1feaD1 ALA 441 HA -0.02 0.04 0.41 -0.75 4.34 4.02 1feaD1 ALA 441 HB3 -0.02 0.08 0.11 -0.04 1.41 1.54 1feaD1 ILE 442 H -0.02 0.23 -0.26 -0.55 8.25 7.65 1feaD1 ILE 442 HA -0.02 0.04 0.40 -0.75 4.18 3.85 1feaD1 ILE 442 HB -0.03 0.17 0.13 -0.04 1.89 2.12 1feaD1 ILE 442 HG12 -0.02 -0.02 0.06 -0.04 1.49 1.48 1feaD1 ILE 442 HG13 -0.02 0.10 0.15 -0.04 1.21 1.41 1feaD1 ILE 442 HG23 -0.03 0.00 -0.08 -0.04 0.93 0.79 1feaD1 ILE 442 HD13 -0.02 -0.01 0.04 -0.04 0.88 0.84 1feaD1 CYS 443 H -0.03 0.30 -0.40 -0.55 8.50 7.83 1feaD1 CYS 443 HA -0.02 0.02 0.25 -0.75 4.58 4.08 1feaD1 CYS 443 HB2 0.05 0.27 0.13 -0.04 2.97 3.39 1feaD1 CYS 443 HB3 0.07 -0.09 -0.04 -0.04 2.97 2.86 1feaD1 LEU 444 H 0.02 0.40 -0.26 -0.55 8.37 7.99 1feaD1 LEU 444 HA 0.02 0.02 0.54 -0.75 4.35 4.18 1feaD1 LEU 444 HB2 -0.02 0.09 0.17 -0.04 1.64 1.84 1feaD1 LEU 444 HB3 -0.04 -0.05 0.00 -0.04 1.64 1.51 1feaD1 LEU 444 HG -0.03 0.13 -0.07 -0.04 1.64 1.64 1feaD1 LEU 444 HD13 0.08 -0.01 -0.13 -0.04 0.93 0.83 1feaD1 LEU 444 HD23 -0.08 -0.05 -0.25 -0.04 0.89 0.47 1feaD1 LYS 445 H -0.01 0.57 -0.02 -0.55 8.42 8.40 1feaD1 LYS 445 HA -0.02 -0.03 0.36 -0.75 4.32 3.88 1feaD1 LYS 445 HB2 -0.02 0.05 0.16 -0.04 1.87 2.02 1feaD1 LYS 445 HB3 -0.02 0.07 0.09 -0.04 1.79 1.89 1feaD1 LYS 445 HG2 -0.02 -0.04 0.01 -0.04 1.46 1.37 1feaD1 LYS 445 HG3 -0.02 0.00 0.02 -0.04 1.46 1.42 1feaD1 LYS 445 HD2 -0.03 -0.03 0.02 -0.04 1.69 1.62 1feaD1 LYS 445 HD3 -0.03 0.04 0.02 -0.04 1.68 1.67 1feaD1 LYS 445 HE2 -0.03 -0.01 0.02 -0.04 2.99 2.94 1feaD1 LYS 445 HE3 -0.03 -0.03 0.02 -0.04 2.99 2.91 1feaD1 MET 446 H -0.01 0.42 -0.32 -0.55 8.47 8.01 1feaD1 MET 446 HA -0.01 0.04 0.47 -0.75 4.52 4.26 1feaD1 MET 446 HB2 -0.01 0.09 -0.01 -0.04 2.15 2.19 1feaD1 MET 446 HB3 -0.01 -0.05 0.02 -0.04 2.03 1.94 1feaD1 MET 446 HG2 -0.01 -0.04 -0.01 -0.04 2.63 2.53 1feaD1 MET 446 HG3 -0.02 0.13 -0.01 -0.04 2.56 2.63 1feaD1 MET 446 HE3 -0.02 -0.00 -0.03 -0.04 2.10 2.01 1feaD1 GLY 447 H 0.00 0.34 -0.45 -0.55 8.43 7.77 1feaD1 GLY 447 HA2 0.00 0.04 0.28 -0.51 4.01 3.82 1feaD1 GLY 447 HA3 0.00 0.03 0.43 -0.51 4.01 3.96 1feaD1 ALA 448 H 0.03 0.47 0.15 -0.55 8.40 8.51 1feaD1 ALA 448 HA 0.03 0.01 0.29 -0.75 4.34 3.91 1feaD1 ALA 448 HB3 0.19 -0.01 0.01 -0.04 1.41 1.57 1feaD1 LYS 449 H 0.01 0.10 0.26 -0.55 8.42 8.24 1feaD1 LYS 449 HA -0.06 0.25 0.83 -0.75 4.32 4.58 1feaD1 LYS 449 HB2 -0.05 -0.05 0.14 -0.04 1.87 1.87 1feaD1 LYS 449 HB3 -0.07 -0.09 0.12 -0.04 1.79 1.71 1feaD1 LYS 449 HG2 -0.03 0.00 -0.24 -0.04 1.46 1.15 1feaD1 LYS 449 HG3 -0.02 0.14 -0.07 -0.04 1.46 1.46 1feaD1 LYS 449 HD2 -0.02 -0.05 0.02 -0.04 1.69 1.59 1feaD1 LYS 449 HD3 -0.03 0.05 0.05 -0.04 1.68 1.72 1feaD1 LYS 449 HE2 -0.01 0.06 0.00 -0.04 2.99 3.00 1feaD1 LYS 449 HE3 -0.01 -0.03 0.02 -0.04 2.99 2.93 1feaD1 ILE 450 H -0.13 0.61 0.27 -0.55 8.25 8.45 1feaD1 ILE 450 HA -0.31 0.06 0.47 -0.75 4.18 3.65 1feaD1 ILE 450 HB -0.30 -0.02 0.05 -0.04 1.89 1.58 1feaD1 ILE 450 HG12 -0.48 0.06 -0.04 -0.04 1.49 0.99 1feaD1 ILE 450 HG13 -0.24 -0.02 0.14 -0.04 1.21 1.05 1feaD1 ILE 450 HG23 -0.03 0.03 0.02 -0.04 0.93 0.90 1feaD1 ILE 450 HD13 -0.66 -0.01 -0.01 -0.04 0.88 0.16 1feaD1 SER 451 H -0.25 0.12 -0.27 -0.55 8.46 7.51 1feaD1 SER 451 HA -1.91 0.14 0.35 -0.75 4.49 2.31 1feaD1 SER 451 HB2 -0.18 0.05 0.01 -0.04 3.95 3.80 1feaD1 SER 451 HB3 -0.18 0.03 0.04 -0.04 3.93 3.78 1feaD1 ASP 452 H -0.12 0.31 -0.49 -0.55 8.40 7.54 1feaD1 ASP 452 HA -0.08 0.09 0.39 -0.75 4.63 4.28 1feaD1 ASP 452 HB2 0.09 0.24 0.20 -0.04 2.71 3.20 1feaD1 ASP 452 HB3 -0.03 0.01 -0.00 -0.04 2.70 2.64 1feaD1 PHE 453 H 0.21 0.16 -0.21 -0.55 8.34 7.94 1feaD1 PHE 453 HA -0.07 0.01 0.39 -0.75 4.62 4.19 1feaD1 PHE 453 HB2 -0.17 0.11 0.22 -0.04 3.15 3.26 1feaD1 PHE 453 HB3 -0.06 0.24 0.01 -0.04 3.06 3.21 1feaD1 PHE 453 HD2 -0.08 0.08 -0.03 -0.04 7.28 7.21 1feaD1 PHE 453 HE2 -0.05 -0.04 -0.09 -0.04 7.38 7.15 1feaD1 PHE 453 HZ -0.06 -0.01 -0.07 -0.04 7.32 7.15 1feaD1 TYR 454 H -0.16 0.46 -0.02 -0.55 8.29 8.02 1feaD1 TYR 454 HA 0.03 0.19 0.50 -0.75 4.56 4.52 1feaD1 TYR 454 HB2 0.01 0.03 0.04 -0.04 3.06 3.10 1feaD1 TYR 454 HB3 0.02 -0.10 -0.13 -0.04 2.98 2.72 1feaD1 TYR 454 HD2 -0.02 0.23 -0.23 -0.04 7.15 7.09 1feaD1 TYR 454 HE2 0.01 -0.03 -0.06 -0.04 6.85 6.73 1feaD1 ASN 455 H -0.01 0.21 -0.62 -0.55 8.53 7.57 1feaD1 ASN 455 HA 0.13 0.15 0.89 -0.75 4.76 5.18 1feaD1 ASN 455 HB2 -0.02 0.17 0.08 -0.04 2.88 3.07 1feaD1 ASN 455 HB3 0.02 -0.10 0.06 -0.04 2.79 2.73 1feaD1 ASN 455 HD21 0.17 -0.11 -0.04 -0.04 7.03 7.01 1feaD1 ASN 455 HD22 -0.07 0.35 0.03 -0.04 7.74 8.01 1feaD1 THR 456 H 0.00 0.31 -0.12 -0.55 8.28 7.93 1feaD1 THR 456 HA -0.02 -0.01 0.58 -0.75 4.39 4.18 1feaD1 THR 456 HB -0.06 0.17 0.13 -0.04 4.32 4.52 1feaD1 THR 456 HG23 -0.06 -0.01 -0.14 -0.04 1.22 0.97 1feaD1 ILE 457 H -0.02 0.08 0.11 -0.55 8.25 7.88 1feaD1 ILE 457 HA -0.01 0.07 0.57 -0.75 4.18 4.06 1feaD1 ILE 457 HB -0.01 -0.05 0.16 -0.04 1.89 1.94 1feaD1 ILE 457 HG12 -0.01 -0.03 0.01 -0.04 1.49 1.43 1feaD1 ILE 457 HG13 -0.00 0.09 -0.10 -0.04 1.21 1.16 1feaD1 ILE 457 HG23 -0.02 0.01 -0.05 -0.04 0.93 0.84 1feaD1 ILE 457 HD13 -0.01 -0.01 0.04 -0.04 0.88 0.86 1feaD1 GLY 458 H -0.02 0.12 0.08 -0.55 8.43 8.07 1feaD1 GLY 458 HA2 -0.02 0.04 0.45 -0.51 4.01 3.97 1feaD1 GLY 458 HA3 -0.02 0.02 0.27 -0.51 4.01 3.77 1feaD1 VAL 459 H -0.00 0.08 0.12 -0.55 8.24 7.88 1feaD1 VAL 459 HA 0.02 0.18 0.67 -0.75 4.13 4.24 1feaD1 VAL 459 HB -0.01 -0.14 0.06 -0.04 2.12 1.99 1feaD1 VAL 459 HG13 -0.01 0.02 -0.07 -0.04 0.97 0.88 1feaD1 VAL 459 HG23 -0.01 0.03 -0.09 -0.04 0.95 0.84 1feaD1 HIS 460 H 0.08 0.31 0.04 -0.55 8.41 8.30 1feaD1 HIS 460 HA -0.05 -0.05 0.88 -0.75 4.63 4.65 1feaD1 HIS 460 HB2 -0.04 0.01 -0.34 -0.04 3.26 2.85 1feaD1 HIS 460 HB3 -0.03 0.05 -0.03 -0.04 3.20 3.15 1feaD1 HIS 460 HD2 -0.03 0.02 -0.12 -0.04 6.97 6.79 1feaD1 HIS 460 HE1 -0.07 -0.00 -0.01 -0.04 7.75 7.63 1feaD1 PRO 461 HA -0.21 0.04 0.44 -0.51 4.44 4.20 1feaD1 PRO 461 HB2 -0.22 -0.00 0.07 -0.04 2.28 2.08 1feaD1 PRO 461 HB3 -0.53 0.05 0.09 -0.04 2.02 1.59 1feaD1 PRO 461 HG2 -0.26 0.04 0.07 -0.04 2.03 1.84 1feaD1 PRO 461 HG3 -0.74 0.06 -0.06 -0.04 2.03 1.24 1feaD1 PRO 461 HD2 -0.16 0.03 0.27 -0.04 3.68 3.79 1feaD1 PRO 461 HD3 -0.19 0.22 0.52 -0.04 3.65 4.16 1feaD1 THR 462 H -0.02 0.29 0.24 -0.55 8.28 8.25 1feaD1 THR 462 HA -0.07 0.22 0.52 -0.75 4.39 4.30 1feaD1 THR 462 HB -0.06 -0.18 0.19 -0.04 4.32 4.23 1feaD1 THR 462 HG23 -0.04 0.02 -0.30 -0.04 1.22 0.86 1feaD1 SER 463 H -0.14 0.16 0.15 -0.55 8.46 8.09 1feaD1 SER 463 HA -0.08 0.21 0.72 -0.75 4.49 4.60 1feaD1 SER 463 HB2 -0.64 0.00 -0.00 -0.04 3.95 3.27 1feaD1 SER 463 HB3 -1.71 0.05 -0.01 -0.04 3.93 2.21 1feaD1 ALA 464 H -0.12 0.02 0.06 -0.55 8.40 7.82 1feaD1 ALA 464 HA 0.00 0.12 0.34 -0.75 4.34 4.05 1feaD1 ALA 464 HB3 -0.01 0.03 0.08 -0.04 1.41 1.47 1feaD1 GLU 465 H -0.05 0.04 -0.43 -0.55 8.60 7.62 1feaD1 GLU 465 HA -0.01 0.05 0.14 -0.75 4.29 3.72 1feaD1 GLU 465 HB2 -0.01 -0.09 0.12 -0.04 2.09 2.07 1feaD1 GLU 465 HB3 -0.01 0.08 0.14 -0.04 1.99 2.16 1feaD1 GLU 465 HG2 -0.06 0.05 -0.19 -0.04 2.34 2.10 1feaD1 GLU 465 HG3 -0.04 0.01 -0.32 -0.04 2.34 1.95 1feaD1 GLU 466 H -0.02 0.39 -0.79 -0.55 8.60 7.63 1feaD1 GLU 466 HA -0.01 0.06 0.29 -0.75 4.29 3.87 1feaD1 GLU 466 HB2 0.09 0.06 0.00 -0.04 2.09 2.20 1feaD1 GLU 466 HB3 0.21 0.01 -0.19 -0.04 1.99 1.98 1feaD1 GLU 466 HG2 0.33 -0.05 -0.13 -0.04 2.34 2.45 1feaD1 GLU 466 HG3 0.12 0.00 -0.03 -0.04 2.34 2.40 1feaD1 LEU 467 H 0.08 0.66 -0.24 -0.55 8.37 8.33 1feaD1 LEU 467 HA 0.17 0.01 0.40 -0.75 4.35 4.18 1feaD1 LEU 467 HB2 0.07 0.05 -0.02 -0.04 1.64 1.70 1feaD1 LEU 467 HB3 0.23 -0.03 -0.07 -0.04 1.64 1.73 1feaD1 LEU 467 HG 0.15 0.07 0.05 -0.04 1.64 1.88 1feaD1 LEU 467 HD13 0.09 -0.03 -0.05 -0.04 0.93 0.90 1feaD1 LEU 467 HD23 0.24 -0.02 -0.06 -0.04 0.89 1.01 1feaD1 CYS 468 H 0.06 0.32 -0.35 -0.55 8.50 7.98 1feaD1 CYS 468 HA 0.13 0.11 0.22 -0.75 4.58 4.29 1feaD1 CYS 468 HB2 0.02 -0.04 -0.01 -0.04 2.97 2.90 1feaD1 CYS 468 HB3 0.04 0.27 0.08 -0.04 2.97 3.31 1feaD1 SER 469 H 0.08 0.33 -0.67 -0.55 8.46 7.65 1feaD1 SER 469 HA 0.03 0.29 0.95 -0.75 4.49 5.00 1feaD1 SER 469 HB2 0.01 0.01 0.10 -0.04 3.95 4.03 1feaD1 SER 469 HB3 -0.01 -0.03 0.11 -0.04 3.93 3.96 1feaD1 MET 470 H 0.12 0.26 -0.36 -0.55 8.47 7.94 1feaD1 MET 470 HA 0.08 0.11 1.02 -0.75 4.52 4.97 1feaD1 MET 470 HB2 0.01 0.06 0.03 -0.04 2.15 2.20 1feaD1 MET 470 HB3 0.08 -0.07 -0.09 -0.04 2.03 1.92 1feaD1 MET 470 HG2 0.10 0.07 -0.18 -0.04 2.63 2.58 1feaD1 MET 470 HG3 0.09 0.11 -0.38 -0.04 2.56 2.34 1feaD1 MET 470 HE3 0.10 -0.00 -0.18 -0.04 2.10 1.98 1feaD1 ARG 471 H 0.04 0.13 0.12 -0.55 8.46 8.20 1feaD1 ARG 471 HA 0.03 0.22 0.90 -0.75 4.34 4.74 1feaD1 ARG 471 HB2 -0.14 0.01 -0.03 -0.04 1.90 1.70 1feaD1 ARG 471 HB3 -0.45 0.00 0.05 -0.04 1.80 1.37 1feaD1 ARG 471 HG2 -0.97 0.08 -0.27 -0.04 1.67 0.47 1feaD1 ARG 471 HG3 -0.19 -0.05 -0.33 -0.04 1.67 1.06 1feaD1 ARG 471 HD2 -0.18 -0.02 -0.06 -0.04 3.22 2.91 1feaD1 ARG 471 HD3 -0.41 -0.02 -0.05 -0.04 3.22 2.70 1feaD1 THR 472 H 0.15 0.01 0.09 -0.55 8.28 7.97 1feaD1 THR 472 HA 0.08 0.27 0.96 -0.75 4.39 4.95 1feaD1 THR 472 HB 0.03 -0.04 0.14 -0.04 4.32 4.42 1feaD1 THR 472 HG23 0.00 0.04 -0.11 -0.04 1.22 1.12 1feaD1 PRO 473 HA -1.11 -0.02 0.13 -0.51 4.44 2.92 1feaD1 PRO 473 HB2 -1.17 0.04 -0.06 -0.04 2.28 1.04 1feaD1 PRO 473 HB3 -1.23 -0.11 -0.00 -0.04 2.02 0.63 1feaD1 PRO 473 HG2 0.02 0.04 0.00 -0.04 2.03 2.05 1feaD1 PRO 473 HG3 -0.42 0.04 -0.05 -0.04 2.03 1.55 1feaD1 PRO 473 HD2 0.00 0.10 0.14 -0.04 3.68 3.88 1feaD1 PRO 473 HD3 0.06 0.27 0.28 -0.04 3.65 4.23 1feaD1 ALA 474 H -0.47 0.52 0.44 -0.55 8.40 8.35 1feaD1 ALA 474 HA -0.08 0.17 0.89 -0.75 4.34 4.56 1feaD1 ALA 474 HB3 -0.04 -0.01 0.21 -0.04 1.41 1.53 1feaD1 TYR 475 H -0.64 0.22 0.29 -0.55 8.29 7.60 1feaD1 TYR 475 HA -0.13 0.16 0.63 -0.75 4.56 4.47 1feaD1 TYR 475 HB2 -0.17 0.04 0.14 -0.04 3.06 3.03 1feaD1 TYR 475 HB3 -0.12 0.15 -0.07 -0.04 2.98 2.90 1feaD1 TYR 475 HD2 -0.31 0.07 -0.26 -0.04 7.15 6.60 1feaD1 TYR 475 HE2 0.01 -0.03 -0.10 -0.04 6.85 6.68 1feaD1 PHE 476 H 0.23 0.73 0.42 -0.55 8.34 9.17 1feaD1 PHE 476 HA -0.12 0.15 1.24 -0.75 4.62 5.13 1feaD1 PHE 476 HB2 -0.10 -0.01 -0.05 -0.04 3.15 2.95 1feaD1 PHE 476 HB3 -0.09 0.08 0.15 -0.04 3.06 3.16 1feaD1 PHE 476 HD2 -0.28 0.07 -0.13 -0.04 7.28 6.90 1feaD1 PHE 476 HE2 -0.68 0.04 -0.11 -0.04 7.38 6.59 1feaD1 PHE 476 HZ -0.22 0.06 -0.06 -0.04 7.32 7.06 1feaD1 TYR 477 H 0.28 0.56 0.29 -0.55 8.29 8.87 1feaD1 TYR 477 HA 0.11 0.27 0.63 -0.75 4.56 4.81 1feaD1 TYR 477 HB2 0.09 -0.08 0.11 -0.04 3.06 3.14 1feaD1 TYR 477 HB3 0.08 -0.02 -0.06 -0.04 2.98 2.94 1feaD1 TYR 477 HD2 0.07 0.00 -0.36 -0.04 7.15 6.82 1feaD1 TYR 477 HE2 0.14 -0.01 -0.15 -0.04 6.85 6.78 1feaD1 GLU 478 H 0.11 0.84 0.13 -0.55 8.60 9.13 1feaD1 GLU 478 HA 0.09 0.24 1.15 -0.75 4.29 5.02 1feaD1 GLU 478 HB2 0.02 0.04 0.11 -0.04 2.09 2.22 1feaD1 GLU 478 HB3 0.03 0.03 0.13 -0.04 1.99 2.13 1feaD1 GLU 478 HG2 0.03 0.04 0.09 -0.04 2.34 2.46 1feaD1 GLU 478 HG3 -0.01 -0.06 -0.02 -0.04 2.34 2.20 1feaD1 LYS 479 H 0.09 0.91 0.35 -0.55 8.42 9.22 1feaD1 LYS 479 HA 0.05 0.08 0.42 -0.75 4.32 4.12 1feaD1 LYS 479 HB2 0.04 0.17 -0.16 -0.04 1.87 1.89 1feaD1 LYS 479 HB3 0.03 -0.00 0.21 -0.04 1.79 1.99 1feaD1 LYS 479 HG2 0.03 -0.01 0.06 -0.04 1.46 1.50 1feaD1 LYS 479 HG3 0.04 0.02 0.05 -0.04 1.46 1.53 1feaD1 LYS 479 HD2 0.02 -0.02 -0.01 -0.04 1.69 1.63 1feaD1 LYS 479 HD3 0.02 -0.02 -0.09 -0.04 1.68 1.55 1feaD1 LYS 479 HE2 0.02 0.06 -0.02 -0.04 2.99 3.02 1feaD1 LYS 479 HE3 0.02 -0.00 0.01 -0.04 2.99 2.98 1feaD1 GLY 480 H 0.12 0.15 -0.17 -0.55 8.43 7.97 1feaD1 GLY 480 HA2 0.07 -0.07 0.12 -0.51 4.01 3.62 1feaD1 GLY 480 HA3 0.05 0.10 0.34 -0.51 4.01 3.99 1feaD1 LYS 481 H 0.14 0.18 -0.76 -0.55 8.42 7.43 1feaD1 LYS 481 HA 0.12 0.14 1.04 -0.75 4.32 4.86 1feaD1 LYS 481 HB2 0.05 0.03 -0.08 -0.04 1.87 1.84 1feaD1 LYS 481 HB3 0.06 0.27 0.13 -0.04 1.79 2.21 1feaD1 LYS 481 HG2 0.02 -0.04 -0.02 -0.04 1.46 1.38 1feaD1 LYS 481 HG3 0.02 0.12 -0.33 -0.04 1.46 1.23 1feaD1 LYS 481 HD2 0.02 0.01 0.04 -0.04 1.69 1.72 1feaD1 LYS 481 HD3 0.04 0.00 0.05 -0.04 1.68 1.73 1feaD1 LYS 481 HE2 0.01 -0.03 0.02 -0.04 2.99 2.94 1feaD1 LYS 481 HE3 0.02 -0.01 0.01 -0.04 2.99 2.97 1feaD1 ARG 482 H 0.08 0.14 0.15 -0.55 8.46 8.28 1feaD1 ARG 482 HA -0.35 0.17 0.55 -0.75 4.34 3.96 1feaD1 ARG 482 HB2 -0.03 -0.03 0.18 -0.04 1.90 1.98 1feaD1 ARG 482 HB3 -0.12 0.03 -0.07 -0.04 1.80 1.60 1feaD1 ARG 482 HG2 -0.14 -0.05 0.02 -0.04 1.67 1.46 1feaD1 ARG 482 HG3 -0.15 -0.02 0.00 -0.04 1.67 1.46 1feaD1 ARG 482 HD2 -0.43 0.13 0.11 -0.04 3.22 2.99 1feaD1 ARG 482 HD3 -0.75 -0.08 -0.05 -0.04 3.22 2.30 1feaD1 VAL 483 H -0.09 0.50 0.40 -0.55 8.24 8.50 1feaD1 VAL 483 HA -0.02 0.10 0.84 -0.75 4.13 4.29 1feaD1 VAL 483 HB 0.01 -0.07 -0.08 -0.04 2.12 1.93 1feaD1 VAL 483 HG13 -0.05 -0.03 -0.16 -0.04 0.97 0.69 1feaD1 VAL 483 HG23 -0.01 0.04 -0.32 -0.04 0.95 0.62 1feaD1 GLU 484 H -0.00 0.12 0.09 -0.55 8.60 8.26 1feaD1 GLU 484 HA 0.01 0.07 0.21 -0.75 4.29 3.83 1feaD1 GLU 484 HB2 0.22 0.06 -0.12 -0.04 2.09 2.21 1feaD1 GLU 484 HB3 0.23 0.11 0.19 -0.04 1.99 2.48 1feaD1 GLU 484 HG2 0.06 0.05 -0.01 -0.04 2.34 2.40 1feaD1 GLU 484 HG3 0.01 0.01 0.04 -0.04 2.34 2.35