============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. TYR 19 0.840 29.048 25.386 -10.670 -99.200 -91.000 HIS 20 0.900 27.354 26.139 -15.139 -99.200 -91.000 TYR 22 0.840 24.447 27.033 -6.057 -99.200 -91.000 TYR 24 0.840 19.603 32.356 -14.835 -99.200 -91.000 TYR 25 0.840 16.775 29.349 -13.332 -99.200 -91.000 TYR 37 0.840 20.975 25.706 -18.022 -99.200 -91.000 PHE 51 1.000 24.971 5.597 -25.260 -99.200 -91.000 PHE 54 1.000 24.720 4.775 -18.786 -99.200 -91.000 PHE 73 1.000 11.969 16.629 -1.913 -99.200 -91.000 HIS 78 0.900 21.632 5.423 1.322 -99.200 -91.000 TYR 83 0.840 25.409 -1.704 9.357 -99.200 -91.000 PHE 89 1.000 22.380 6.928 27.103 -99.200 -91.000 TYR 91 0.840 35.595 4.596 32.495 -99.200 -91.000 PHE 97 1.000 32.987 -0.031 21.866 -99.200 -91.000 PHE 111 1.000 42.444 -2.910 21.796 -99.200 -91.000 TYR 113 0.840 38.856 2.820 21.532 -99.200 -91.000 HIS 117 0.900 33.436 18.276 19.670 -99.200 -91.000 TYR 127 0.840 27.774 6.061 -6.819 -99.200 -91.000 TYR 128 0.840 31.146 12.894 -4.431 -99.200 -91.000 PHE 135 1.000 22.663 8.482 -5.133 -99.200 -91.000 TYR 176 0.840 26.645 21.478 11.170 -99.200 -91.000 PHE 182 1.000 16.778 25.109 16.618 -99.200 -91.000 PHE 197 1.000 11.972 22.980 11.497 -99.200 -91.000 PHE 225 1.000 29.960 15.270 3.627 -99.200 -91.000 TYR 226 0.840 30.234 10.895 9.888 -99.200 -91.000 TYR 241 0.840 44.225 12.469 13.783 -99.200 -91.000 TRP 246 1.040 42.061 10.584 1.113 -99.200 -91.000 TRP6 246 1.020 39.940 10.026 0.239 -99.200 -91.000 PHE 252 1.000 34.291 14.494 -0.123 -99.200 -91.000 HIS 256 0.900 33.175 15.785 12.563 -99.200 -91.000 TYR 258 0.840 39.768 15.086 13.274 -99.200 -91.000 TYR 271 0.840 31.335 11.846 28.558 -99.200 -91.000 PHE 274 1.000 35.640 16.481 22.587 -99.200 -91.000 HIS 279 0.900 24.941 23.410 26.630 -99.200 -91.000 PHE 283 1.000 29.073 21.148 16.069 -99.200 -91.000 TRP 298 1.040 37.459 0.326 11.690 -99.200 -91.000 TRP6 298 1.020 36.029 2.060 10.977 -99.200 -91.000 TYR 303 0.840 29.405 -2.677 9.823 -99.200 -91.000 PHE 310 1.000 33.543 -0.391 12.894 -99.200 -91.000 TYR 314 0.840 30.850 8.218 27.655 -99.200 -91.000 PHE 316 1.000 28.464 15.791 25.562 -99.200 -91.000 PHE 330 1.000 -1.473 35.182 26.655 -99.200 -91.000 PHE 348 1.000 17.048 23.932 40.508 -99.200 -91.000 HIS 360 0.900 8.256 28.206 20.467 -99.200 -91.000 TYR 364 0.840 5.850 24.277 21.009 -99.200 -91.000 TRP 375 1.040 1.808 17.058 36.842 -99.200 -91.000 TRP6 375 1.020 3.762 17.153 38.175 -99.200 -91.000 HIS 379 0.900 13.321 20.275 24.320 -99.200 -91.000 TRP 405 1.040 -2.728 35.251 22.412 -99.200 -91.000 TRP6 405 1.020 -2.180 32.964 22.518 -99.200 -91.000 HIS 414 0.900 -6.914 49.268 19.654 -99.200 -91.000 HIS 423 0.900 -5.453 35.847 19.475 -99.200 -91.000 PHE 435 1.000 14.220 49.605 17.276 -99.200 -91.000 HIS 440 0.900 7.993 49.853 7.626 -99.200 -91.000 TYR 441 0.840 7.557 58.476 9.158 -99.200 -91.000 TYR 473 0.840 8.319 64.772 10.434 -99.200 -91.000 HIS 474 0.900 5.935 68.637 16.642 -99.200 -91.000 HIS 503 0.900 9.067 68.930 1.210 -99.200 -91.000 TYR 511 0.840 7.286 50.356 2.812 -99.200 -91.000 PHE 530 1.000 -8.842 55.366 -1.770 -99.200 -91.000 PHE 567 1.000 -3.593 55.565 10.118 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1v9pA1 MET 1 HA 0.06 -0.09 0.20 -0.75 4.52 3.93 1v9pA1 MET 1 HB2 0.02 -0.06 -0.04 -0.04 2.15 2.02 1v9pA1 MET 1 HB3 0.07 0.03 0.01 -0.04 2.03 2.10 1v9pA1 MET 1 HG2 0.32 0.04 -0.04 -0.04 2.63 2.92 1v9pA1 MET 1 HG3 -0.14 -0.08 -0.33 -0.04 2.56 1.97 1v9pA1 MET 1 HE3 -0.01 -0.02 -0.16 -0.04 2.10 1.87 1v9pA1 THR 2 H 0.03 0.08 0.10 -0.55 8.28 7.94 1v9pA1 THR 2 HA 0.06 0.12 0.50 -0.75 4.39 4.31 1v9pA1 THR 2 HB 0.03 0.11 0.15 -0.04 4.32 4.57 1v9pA1 THR 2 HG23 0.01 -0.07 0.16 -0.04 1.22 1.28 1v9pA1 ARG 3 H 0.07 0.21 0.23 -0.55 8.46 8.42 1v9pA1 ARG 3 HA -0.15 0.13 0.33 -0.75 4.34 3.90 1v9pA1 ARG 3 HB2 0.08 0.05 0.19 -0.04 1.90 2.18 1v9pA1 ARG 3 HB3 0.06 -0.04 0.05 -0.04 1.80 1.83 1v9pA1 ARG 3 HG2 0.04 -0.00 0.03 -0.04 1.67 1.70 1v9pA1 ARG 3 HG3 0.03 0.06 0.08 -0.04 1.67 1.79 1v9pA1 ARG 3 HD2 0.09 -0.02 -0.05 -0.04 3.22 3.20 1v9pA1 ARG 3 HD3 0.01 0.03 -0.00 -0.04 3.22 3.22 1v9pA1 GLU 4 H 0.03 -0.02 -0.53 -0.55 8.60 7.54 1v9pA1 GLU 4 HA 0.06 0.10 0.45 -0.75 4.29 4.15 1v9pA1 GLU 4 HB2 0.03 0.00 0.07 -0.04 2.09 2.16 1v9pA1 GLU 4 HB3 0.01 -0.07 0.09 -0.04 1.99 1.98 1v9pA1 GLU 4 HG2 0.01 0.01 -0.01 -0.04 2.34 2.31 1v9pA1 GLU 4 HG3 0.00 0.00 -0.09 -0.04 2.34 2.21 1v9pA1 GLU 5 H -0.01 0.10 0.03 -0.55 8.60 8.18 1v9pA1 GLU 5 HA -0.03 0.00 0.38 -0.75 4.29 3.89 1v9pA1 GLU 5 HB2 -0.01 -0.05 0.15 -0.04 2.09 2.14 1v9pA1 GLU 5 HB3 -0.03 0.11 0.10 -0.04 1.99 2.12 1v9pA1 GLU 5 HG2 -0.03 0.00 -0.32 -0.04 2.34 1.95 1v9pA1 GLU 5 HG3 -0.01 -0.00 0.02 -0.04 2.34 2.30 1v9pA1 ALA 6 H -0.16 0.42 -0.37 -0.55 8.40 7.75 1v9pA1 ALA 6 HA -0.15 -0.02 0.28 -0.75 4.34 3.70 1v9pA1 ALA 6 HB3 -0.77 0.06 -0.06 -0.04 1.41 0.60 1v9pA1 ARG 7 H 0.03 0.40 -0.34 -0.55 8.46 8.00 1v9pA1 ARG 7 HA -0.70 0.05 0.41 -0.75 4.34 3.34 1v9pA1 ARG 7 HB2 -0.49 0.03 0.17 -0.04 1.90 1.57 1v9pA1 ARG 7 HB3 -0.16 0.21 0.26 -0.04 1.80 2.07 1v9pA1 ARG 7 HG2 -0.26 -0.03 -0.16 -0.04 1.67 1.17 1v9pA1 ARG 7 HG3 -0.68 0.01 0.01 -0.04 1.67 0.96 1v9pA1 ARG 7 HD2 -0.16 -0.01 -0.02 -0.04 3.22 2.99 1v9pA1 ARG 7 HD3 -0.26 0.00 0.01 -0.04 3.22 2.93 1v9pA1 ARG 8 H -0.09 0.38 -0.03 -0.55 8.46 8.17 1v9pA1 ARG 8 HA -0.08 0.02 0.34 -0.75 4.34 3.86 1v9pA1 ARG 8 HB2 -0.04 0.13 0.22 -0.04 1.90 2.17 1v9pA1 ARG 8 HB3 -0.03 -0.02 0.02 -0.04 1.80 1.72 1v9pA1 ARG 8 HG2 -0.05 -0.02 0.02 -0.04 1.67 1.59 1v9pA1 ARG 8 HG3 -0.04 0.11 0.02 -0.04 1.67 1.71 1v9pA1 ARG 8 HD2 -0.02 -0.03 0.01 -0.04 3.22 3.15 1v9pA1 ARG 8 HD3 -0.02 0.03 0.01 -0.04 3.22 3.20 1v9pA1 ARG 9 H -0.04 0.54 -0.02 -0.55 8.46 8.39 1v9pA1 ARG 9 HA -0.01 -0.02 0.42 -0.75 4.34 3.97 1v9pA1 ARG 9 HB2 -0.01 -0.01 0.09 -0.04 1.90 1.93 1v9pA1 ARG 9 HB3 -0.01 0.11 0.06 -0.04 1.80 1.92 1v9pA1 ARG 9 HG2 0.01 0.00 -0.02 -0.04 1.67 1.63 1v9pA1 ARG 9 HG3 0.01 -0.02 -0.11 -0.04 1.67 1.52 1v9pA1 ARG 9 HD2 0.01 -0.04 0.11 -0.04 3.22 3.26 1v9pA1 ARG 9 HD3 0.01 0.01 0.02 -0.04 3.22 3.22 1v9pA1 ILE 10 H -0.04 0.58 -0.30 -0.55 8.25 7.94 1v9pA1 ILE 10 HA 0.01 -0.09 0.43 -0.75 4.18 3.77 1v9pA1 ILE 10 HB -0.10 0.19 0.29 -0.04 1.89 2.23 1v9pA1 ILE 10 HG12 0.08 -0.09 0.03 -0.04 1.49 1.47 1v9pA1 ILE 10 HG13 0.07 0.08 0.05 -0.04 1.21 1.36 1v9pA1 ILE 10 HG23 -0.03 -0.02 -0.11 -0.04 0.93 0.73 1v9pA1 ILE 10 HD13 0.35 -0.03 -0.21 -0.04 0.88 0.96 1v9pA1 ASN 11 H -0.09 0.56 -0.09 -0.55 8.53 8.37 1v9pA1 ASN 11 HA -0.06 0.04 0.43 -0.75 4.76 4.42 1v9pA1 ASN 11 HB2 -0.07 0.09 0.21 -0.04 2.88 3.07 1v9pA1 ASN 11 HB3 -0.07 -0.03 -0.09 -0.04 2.79 2.56 1v9pA1 ASN 11 HD21 -0.14 -0.07 -0.13 -0.04 7.03 6.65 1v9pA1 ASN 11 HD22 -0.10 -0.05 -0.13 -0.04 7.74 7.42 1v9pA1 GLU 12 H -0.03 0.80 0.10 -0.55 8.60 8.93 1v9pA1 GLU 12 HA 0.00 0.02 0.45 -0.75 4.29 4.01 1v9pA1 GLU 12 HB2 0.00 -0.00 0.22 -0.04 2.09 2.27 1v9pA1 GLU 12 HB3 0.02 -0.07 0.05 -0.04 1.99 1.94 1v9pA1 GLU 12 HG2 -0.01 -0.02 0.03 -0.04 2.34 2.31 1v9pA1 GLU 12 HG3 -0.02 0.17 0.08 -0.04 2.34 2.52 1v9pA1 LEU 13 H 0.01 1.06 0.15 -0.55 8.37 9.04 1v9pA1 LEU 13 HA 0.05 -0.08 0.38 -0.75 4.35 3.94 1v9pA1 LEU 13 HB2 0.02 0.16 0.17 -0.04 1.64 1.95 1v9pA1 LEU 13 HB3 0.03 -0.06 -0.04 -0.04 1.64 1.53 1v9pA1 LEU 13 HG 0.02 -0.00 0.06 -0.04 1.64 1.67 1v9pA1 LEU 13 HD13 0.02 -0.03 -0.20 -0.04 0.93 0.69 1v9pA1 LEU 13 HD23 0.02 0.01 0.03 -0.04 0.89 0.90 1v9pA1 ARG 14 H 0.02 0.51 -0.15 -0.55 8.46 8.29 1v9pA1 ARG 14 HA 0.05 -0.10 0.40 -0.75 4.34 3.94 1v9pA1 ARG 14 HB2 0.01 0.28 0.19 -0.04 1.90 2.34 1v9pA1 ARG 14 HB3 0.03 0.01 0.04 -0.04 1.80 1.83 1v9pA1 ARG 14 HG2 0.03 -0.17 0.19 -0.04 1.67 1.67 1v9pA1 ARG 14 HG3 0.02 0.07 0.18 -0.04 1.67 1.90 1v9pA1 ARG 14 HD2 0.00 0.12 0.06 -0.04 3.22 3.36 1v9pA1 ARG 14 HD3 0.02 0.00 -0.00 -0.04 3.22 3.20 1v9pA1 ASP 15 H 0.04 0.41 -0.41 -0.55 8.40 7.90 1v9pA1 ASP 15 HA 0.05 0.09 0.57 -0.75 4.63 4.59 1v9pA1 ASP 15 HB2 -0.00 0.18 0.18 -0.04 2.71 3.03 1v9pA1 ASP 15 HB3 0.04 0.09 0.33 -0.04 2.70 3.12 1v9pA1 LEU 16 H 0.12 0.59 0.18 -0.55 8.37 8.71 1v9pA1 LEU 16 HA 0.38 -0.00 0.41 -0.75 4.35 4.38 1v9pA1 LEU 16 HB2 0.14 0.10 0.15 -0.04 1.64 1.99 1v9pA1 LEU 16 HB3 0.22 -0.08 0.02 -0.04 1.64 1.75 1v9pA1 LEU 16 HG 0.22 -0.02 0.05 -0.04 1.64 1.85 1v9pA1 LEU 16 HD13 0.09 0.06 0.03 -0.04 0.93 1.07 1v9pA1 LEU 16 HD23 0.08 -0.02 -0.03 -0.04 0.89 0.88 1v9pA1 ILE 17 H 0.17 0.74 -0.27 -0.55 8.25 8.33 1v9pA1 ILE 17 HA 0.39 -0.06 0.46 -0.75 4.18 4.22 1v9pA1 ILE 17 HB 0.12 0.14 0.08 -0.04 1.89 2.19 1v9pA1 ILE 17 HG12 0.11 -0.06 -0.02 -0.04 1.49 1.48 1v9pA1 ILE 17 HG13 0.11 0.07 -0.03 -0.04 1.21 1.32 1v9pA1 ILE 17 HG23 0.18 -0.02 -0.08 -0.04 0.93 0.97 1v9pA1 ILE 17 HD13 -0.02 -0.05 -0.31 -0.04 0.88 0.46 1v9pA1 ARG 18 H 0.16 0.53 -0.10 -0.55 8.46 8.49 1v9pA1 ARG 18 HA 0.15 -0.00 0.56 -0.75 4.34 4.29 1v9pA1 ARG 18 HB2 0.10 0.11 0.27 -0.04 1.90 2.33 1v9pA1 ARG 18 HB3 0.09 -0.05 0.02 -0.04 1.80 1.81 1v9pA1 ARG 18 HG2 0.08 -0.09 0.06 -0.04 1.67 1.68 1v9pA1 ARG 18 HG3 0.07 0.34 0.17 -0.04 1.67 2.22 1v9pA1 ARG 18 HD2 0.04 0.03 -0.07 -0.04 3.22 3.18 1v9pA1 ARG 18 HD3 0.05 -0.08 -0.07 -0.04 3.22 3.09 1v9pA1 TYR 19 H 0.27 0.93 0.04 -0.55 8.29 8.98 1v9pA1 TYR 19 HA 0.09 0.09 0.37 -0.75 4.56 4.35 1v9pA1 TYR 19 HB2 0.02 0.04 0.03 -0.04 3.06 3.11 1v9pA1 TYR 19 HB3 0.05 0.03 0.19 -0.04 2.98 3.21 1v9pA1 TYR 19 HD2 0.06 -0.01 0.04 -0.04 7.15 7.20 1v9pA1 TYR 19 HE2 0.02 0.01 -0.01 -0.04 6.85 6.82 1v9pA1 HIS 20 H 0.23 0.76 -0.04 -0.55 8.41 8.82 1v9pA1 HIS 20 HA -0.26 0.00 0.56 -0.75 4.63 4.18 1v9pA1 HIS 20 HB2 -0.06 0.12 0.12 -0.04 3.26 3.40 1v9pA1 HIS 20 HB3 -0.28 -0.08 0.01 -0.04 3.20 2.80 1v9pA1 HIS 20 HD2 -0.18 -0.20 0.08 -0.04 6.97 6.62 1v9pA1 HIS 20 HE1 0.15 -0.00 0.03 -0.04 7.75 7.88 1v9pA1 ASN 21 H 0.15 0.62 -0.16 -0.55 8.53 8.59 1v9pA1 ASN 21 HA 0.14 -0.04 0.46 -0.75 4.76 4.57 1v9pA1 ASN 21 HB2 0.20 0.04 0.21 -0.04 2.88 3.28 1v9pA1 ASN 21 HB3 0.15 0.18 0.20 -0.04 2.79 3.28 1v9pA1 ASN 21 HD21 -0.46 0.18 0.26 -0.04 7.03 6.97 1v9pA1 ASN 21 HD22 0.00 0.03 0.13 -0.04 7.74 7.86 1v9pA1 TYR 22 H 0.23 0.43 -0.53 -0.55 8.29 7.87 1v9pA1 TYR 22 HA 0.10 0.01 0.37 -0.75 4.56 4.29 1v9pA1 TYR 22 HB2 0.09 0.02 0.02 -0.04 3.06 3.15 1v9pA1 TYR 22 HB3 0.09 0.29 0.23 -0.04 2.98 3.55 1v9pA1 TYR 22 HD2 0.15 -0.03 -0.06 -0.04 7.15 7.18 1v9pA1 TYR 22 HE2 0.08 -0.01 -0.08 -0.04 6.85 6.81 1v9pA1 ARG 23 H -0.10 0.71 0.22 -0.55 8.46 8.74 1v9pA1 ARG 23 HA -0.43 0.04 0.35 -0.75 4.34 3.55 1v9pA1 ARG 23 HB2 -0.48 -0.05 0.20 -0.04 1.90 1.52 1v9pA1 ARG 23 HB3 -0.27 -0.13 -0.05 -0.04 1.80 1.31 1v9pA1 ARG 23 HG2 -0.74 0.09 0.01 -0.04 1.67 0.99 1v9pA1 ARG 23 HG3 -1.06 -0.12 -0.02 -0.04 1.67 0.43 1v9pA1 ARG 23 HD2 -0.23 0.22 0.01 -0.04 3.22 3.18 1v9pA1 ARG 23 HD3 -0.24 -0.02 0.03 -0.04 3.22 2.95 1v9pA1 TYR 24 H 0.04 0.21 -1.20 -0.55 8.29 6.79 1v9pA1 TYR 24 HA -0.22 0.12 0.79 -0.75 4.56 4.50 1v9pA1 TYR 24 HB2 -0.23 0.09 0.03 -0.04 3.06 2.91 1v9pA1 TYR 24 HB3 -0.11 -0.07 0.25 -0.04 2.98 3.01 1v9pA1 TYR 24 HD2 -1.15 -0.02 -0.03 -0.04 7.15 5.90 1v9pA1 TYR 24 HE2 -0.41 -0.02 -0.04 -0.04 6.85 6.34 1v9pA1 TYR 25 H 0.40 0.22 0.14 -0.55 8.29 8.50 1v9pA1 TYR 25 HA 0.04 0.00 0.25 -0.75 4.56 4.10 1v9pA1 TYR 25 HB2 0.11 0.06 0.03 -0.04 3.06 3.22 1v9pA1 TYR 25 HB3 0.10 -0.05 0.12 -0.04 2.98 3.11 1v9pA1 TYR 25 HD2 0.13 0.21 0.12 -0.04 7.15 7.57 1v9pA1 TYR 25 HE2 -0.09 0.07 -0.03 -0.04 6.85 6.76 1v9pA1 VAL 26 H 0.00 0.15 -0.96 -0.55 8.24 6.88 1v9pA1 VAL 26 HA 0.06 0.13 1.02 -0.75 4.13 4.59 1v9pA1 VAL 26 HB -0.20 0.12 0.15 -0.04 2.12 2.14 1v9pA1 VAL 26 HG13 0.25 -0.01 -0.11 -0.04 0.97 1.06 1v9pA1 VAL 26 HG23 0.29 -0.02 -0.16 -0.04 0.95 1.02 1v9pA1 LEU 27 H -0.39 0.56 0.13 -0.55 8.37 8.12 1v9pA1 LEU 27 HA -0.17 0.09 0.50 -0.75 4.35 4.01 1v9pA1 LEU 27 HB2 -0.40 -0.01 0.13 -0.04 1.64 1.32 1v9pA1 LEU 27 HB3 -0.22 -0.04 0.01 -0.04 1.64 1.35 1v9pA1 LEU 27 HG -1.27 0.04 -0.08 -0.04 1.64 0.29 1v9pA1 LEU 27 HD13 -0.22 -0.01 -0.02 -0.04 0.93 0.63 1v9pA1 LEU 27 HD23 -0.07 0.01 -0.01 -0.04 0.89 0.78 1v9pA1 ALA 28 H -0.24 0.37 -0.12 -0.55 8.40 7.87 1v9pA1 ALA 28 HA -0.36 -0.00 0.27 -0.75 4.34 3.50 1v9pA1 ALA 28 HB3 -0.17 0.05 0.09 -0.04 1.41 1.34 1v9pA1 ASP 29 H -0.21 0.16 -0.19 -0.55 8.40 7.61 1v9pA1 ASP 29 HA -0.13 0.15 0.90 -0.75 4.63 4.80 1v9pA1 ASP 29 HB2 -0.13 -0.03 0.08 -0.04 2.71 2.59 1v9pA1 ASP 29 HB3 -0.09 -0.05 0.15 -0.04 2.70 2.67 1v9pA1 PRO 30 HA -0.07 -0.05 0.34 -0.51 4.44 4.15 1v9pA1 PRO 30 HB2 0.07 0.05 -0.13 -0.04 2.28 2.23 1v9pA1 PRO 30 HB3 0.14 -0.01 -0.09 -0.04 2.02 2.01 1v9pA1 PRO 30 HG2 -0.05 0.02 -0.06 -0.04 2.03 1.89 1v9pA1 PRO 30 HG3 -0.13 -0.04 -0.05 -0.04 2.03 1.77 1v9pA1 PRO 30 HD2 -0.19 0.24 -0.18 -0.04 3.68 3.50 1v9pA1 PRO 30 HD3 -0.34 0.06 -0.15 -0.04 3.65 3.18 1v9pA1 GLU 31 H 0.06 -0.06 0.15 -0.55 8.60 8.20 1v9pA1 GLU 31 HA 0.00 0.22 0.88 -0.75 4.29 4.64 1v9pA1 GLU 31 HB2 0.12 -0.13 0.16 -0.04 2.09 2.20 1v9pA1 GLU 31 HB3 0.05 -0.04 0.02 -0.04 1.99 1.98 1v9pA1 GLU 31 HG2 -0.00 0.07 -0.05 -0.04 2.34 2.32 1v9pA1 GLU 31 HG3 -0.06 0.08 -0.05 -0.04 2.34 2.27 1v9pA1 ILE 32 H 0.05 -0.01 0.12 -0.55 8.25 7.86 1v9pA1 ILE 32 HA -0.01 0.10 0.44 -0.75 4.18 3.96 1v9pA1 ILE 32 HB -0.06 -0.15 0.07 -0.04 1.89 1.71 1v9pA1 ILE 32 HG12 -0.17 -0.06 0.06 -0.04 1.49 1.27 1v9pA1 ILE 32 HG13 -0.08 0.12 -0.28 -0.04 1.21 0.93 1v9pA1 ILE 32 HG23 -0.14 0.01 0.02 -0.04 0.93 0.78 1v9pA1 ILE 32 HD13 -0.29 -0.01 -0.06 -0.04 0.88 0.48 1v9pA1 SER 33 H -0.00 0.03 0.11 -0.55 8.46 8.05 1v9pA1 SER 33 HA 0.02 0.28 0.50 -0.75 4.49 4.53 1v9pA1 SER 33 HB2 0.02 -0.56 0.18 -0.04 3.95 3.55 1v9pA1 SER 33 HB3 0.02 0.03 0.20 -0.04 3.93 4.14 1v9pA1 ASP 34 H 0.03 0.23 0.17 -0.55 8.40 8.28 1v9pA1 ASP 34 HA -0.03 0.22 0.53 -0.75 4.63 4.59 1v9pA1 ASP 34 HB2 0.02 0.10 0.10 -0.04 2.71 2.88 1v9pA1 ASP 34 HB3 0.01 -0.03 0.05 -0.04 2.70 2.70 1v9pA1 ALA 35 H 0.03 -0.08 -0.17 -0.55 8.40 7.64 1v9pA1 ALA 35 HA 0.02 0.27 0.84 -0.75 4.34 4.71 1v9pA1 ALA 35 HB3 0.01 0.04 0.03 -0.04 1.41 1.45 1v9pA1 GLU 36 H 0.02 0.02 0.02 -0.55 8.60 8.12 1v9pA1 GLU 36 HA 0.00 0.13 0.40 -0.75 4.29 4.07 1v9pA1 GLU 36 HB2 0.01 0.00 0.15 -0.04 2.09 2.21 1v9pA1 GLU 36 HB3 0.01 -0.07 0.06 -0.04 1.99 1.95 1v9pA1 GLU 36 HG2 -0.00 0.03 0.11 -0.04 2.34 2.43 1v9pA1 GLU 36 HG3 -0.00 0.05 0.06 -0.04 2.34 2.40 1v9pA1 TYR 37 H 0.12 0.04 -0.93 -0.55 8.29 6.96 1v9pA1 TYR 37 HA -0.08 0.10 0.43 -0.75 4.56 4.26 1v9pA1 TYR 37 HB2 -0.07 0.12 -0.01 -0.04 3.06 3.06 1v9pA1 TYR 37 HB3 -0.06 -0.00 -0.13 -0.04 2.98 2.74 1v9pA1 TYR 37 HD2 -0.05 0.02 -0.02 -0.04 7.15 7.06 1v9pA1 TYR 37 HE2 0.04 0.06 0.04 -0.04 6.85 6.95 1v9pA1 ASP 38 H -0.05 0.30 -0.23 -0.55 8.40 7.88 1v9pA1 ASP 38 HA -0.38 0.06 0.53 -0.75 4.63 4.09 1v9pA1 ASP 38 HB2 -0.07 0.13 0.12 -0.04 2.71 2.84 1v9pA1 ASP 38 HB3 -0.11 -0.03 0.10 -0.04 2.70 2.62 1v9pA1 ARG 39 H -0.05 0.20 -0.78 -0.55 8.46 7.27 1v9pA1 ARG 39 HA -0.04 0.06 0.46 -0.75 4.34 4.06 1v9pA1 ARG 39 HB2 -0.02 0.27 0.10 -0.04 1.90 2.21 1v9pA1 ARG 39 HB3 -0.02 -0.01 0.10 -0.04 1.80 1.84 1v9pA1 ARG 39 HG2 -0.02 0.03 -0.05 -0.04 1.67 1.58 1v9pA1 ARG 39 HG3 -0.01 -0.05 0.00 -0.04 1.67 1.57 1v9pA1 ARG 39 HD2 -0.01 -0.00 -0.01 -0.04 3.22 3.15 1v9pA1 ARG 39 HD3 -0.01 0.01 0.03 -0.04 3.22 3.21 1v9pA1 LEU 40 H -0.11 0.21 -0.67 -0.55 8.37 7.25 1v9pA1 LEU 40 HA -0.02 0.15 0.85 -0.75 4.35 4.58 1v9pA1 LEU 40 HB2 -0.04 0.22 0.12 -0.04 1.64 1.90 1v9pA1 LEU 40 HB3 0.00 -0.01 -0.01 -0.04 1.64 1.58 1v9pA1 LEU 40 HG 0.00 -0.01 -0.01 -0.04 1.64 1.58 1v9pA1 LEU 40 HD13 -0.01 -0.01 -0.22 -0.04 0.93 0.65 1v9pA1 LEU 40 HD23 0.02 0.00 -0.02 -0.04 0.89 0.84 1v9pA1 LEU 41 H -0.20 0.23 0.08 -0.55 8.37 7.92 1v9pA1 LEU 41 HA -0.09 0.08 0.39 -0.75 4.35 3.98 1v9pA1 LEU 41 HB2 -0.43 0.08 0.18 -0.04 1.64 1.43 1v9pA1 LEU 41 HB3 -0.20 0.04 0.04 -0.04 1.64 1.48 1v9pA1 LEU 41 HG -0.16 0.04 0.04 -0.04 1.64 1.52 1v9pA1 LEU 41 HD13 -0.22 0.01 0.03 -0.04 0.93 0.71 1v9pA1 LEU 41 HD23 -0.06 -0.01 0.03 -0.04 0.89 0.81 1v9pA1 ARG 42 H -0.07 0.21 -0.46 -0.55 8.46 7.59 1v9pA1 ARG 42 HA -0.04 0.14 0.59 -0.75 4.34 4.28 1v9pA1 ARG 42 HB2 -0.05 0.18 0.09 -0.04 1.90 2.08 1v9pA1 ARG 42 HB3 -0.03 -0.03 0.03 -0.04 1.80 1.72 1v9pA1 ARG 42 HG2 -0.02 -0.01 -0.11 -0.04 1.67 1.50 1v9pA1 ARG 42 HG3 -0.02 -0.02 -0.00 -0.04 1.67 1.59 1v9pA1 ARG 42 HD2 -0.02 -0.00 -0.04 -0.04 3.22 3.12 1v9pA1 ARG 42 HD3 -0.03 0.01 -0.02 -0.04 3.22 3.13 1v9pA1 GLU 43 H -0.02 0.20 -0.23 -0.55 8.60 8.00 1v9pA1 GLU 43 HA 0.01 0.02 0.33 -0.75 4.29 3.89 1v9pA1 GLU 43 HB2 0.00 0.04 0.12 -0.04 2.09 2.22 1v9pA1 GLU 43 HB3 -0.00 0.10 0.13 -0.04 1.99 2.18 1v9pA1 GLU 43 HG2 0.02 0.03 -0.28 -0.04 2.34 2.07 1v9pA1 GLU 43 HG3 0.03 -0.06 0.04 -0.04 2.34 2.31 1v9pA1 LEU 44 H -0.01 0.38 -0.63 -0.55 8.37 7.57 1v9pA1 LEU 44 HA 0.03 0.04 0.39 -0.75 4.35 4.06 1v9pA1 LEU 44 HB2 -0.00 0.19 0.07 -0.04 1.64 1.86 1v9pA1 LEU 44 HB3 0.00 0.07 -0.01 -0.04 1.64 1.66 1v9pA1 LEU 44 HG 0.02 -0.03 -0.02 -0.04 1.64 1.57 1v9pA1 LEU 44 HD13 0.01 -0.01 0.02 -0.04 0.93 0.91 1v9pA1 LEU 44 HD23 0.04 0.00 0.04 -0.04 0.89 0.93 1v9pA1 LYS 45 H 0.00 0.38 -0.24 -0.55 8.42 8.00 1v9pA1 LYS 45 HA 0.02 0.02 0.44 -0.75 4.32 4.05 1v9pA1 LYS 45 HB2 -0.01 0.02 0.15 -0.04 1.87 1.99 1v9pA1 LYS 45 HB3 -0.01 0.15 0.15 -0.04 1.79 2.05 1v9pA1 LYS 45 HG2 -0.01 -0.02 -0.02 -0.04 1.46 1.38 1v9pA1 LYS 45 HG3 0.00 -0.03 -0.05 -0.04 1.46 1.34 1v9pA1 LYS 45 HD2 0.01 -0.02 0.01 -0.04 1.69 1.65 1v9pA1 LYS 45 HD3 -0.01 -0.00 -0.00 -0.04 1.68 1.63 1v9pA1 LYS 45 HE2 -0.01 -0.00 -0.03 -0.04 2.99 2.91 1v9pA1 LYS 45 HE3 -0.00 -0.01 -0.03 -0.04 2.99 2.90 1v9pA1 GLU 46 H 0.02 0.28 -0.36 -0.55 8.60 8.00 1v9pA1 GLU 46 HA 0.02 0.07 0.44 -0.75 4.29 4.06 1v9pA1 GLU 46 HB2 0.02 -0.02 -0.00 -0.04 2.09 2.05 1v9pA1 GLU 46 HB3 0.04 0.10 0.10 -0.04 1.99 2.19 1v9pA1 GLU 46 HG2 0.01 -0.01 0.02 -0.04 2.34 2.32 1v9pA1 GLU 46 HG3 0.01 -0.03 -0.03 -0.04 2.34 2.26 1v9pA1 LEU 47 H 0.09 0.53 -0.07 -0.55 8.37 8.37 1v9pA1 LEU 47 HA 0.29 0.05 0.48 -0.75 4.35 4.41 1v9pA1 LEU 47 HB2 0.12 0.12 0.11 -0.04 1.64 1.94 1v9pA1 LEU 47 HB3 0.20 -0.00 -0.02 -0.04 1.64 1.77 1v9pA1 LEU 47 HG 0.21 -0.02 -0.01 -0.04 1.64 1.77 1v9pA1 LEU 47 HD13 0.07 -0.03 0.02 -0.04 0.93 0.95 1v9pA1 LEU 47 HD23 0.02 -0.02 -0.01 -0.04 0.89 0.83 1v9pA1 GLU 48 H 0.10 0.40 -0.29 -0.55 8.60 8.26 1v9pA1 GLU 48 HA 0.16 0.09 0.25 -0.75 4.29 4.04 1v9pA1 GLU 48 HB2 0.05 0.02 0.10 -0.04 2.09 2.22 1v9pA1 GLU 48 HB3 0.06 -0.05 -0.03 -0.04 1.99 1.92 1v9pA1 GLU 48 HG2 0.11 -0.00 -0.07 -0.04 2.34 2.34 1v9pA1 GLU 48 HG3 0.08 0.25 0.08 -0.04 2.34 2.71 1v9pA1 GLU 49 H 0.05 0.24 -0.66 -0.55 8.60 7.68 1v9pA1 GLU 49 HA -0.01 0.15 0.80 -0.75 4.29 4.48 1v9pA1 GLU 49 HB2 0.00 0.25 0.09 -0.04 2.09 2.39 1v9pA1 GLU 49 HB3 -0.03 -0.01 -0.04 -0.04 1.99 1.87 1v9pA1 GLU 49 HG2 -0.02 -0.04 0.00 -0.04 2.34 2.24 1v9pA1 GLU 49 HG3 -0.02 -0.03 0.08 -0.04 2.34 2.32 1v9pA1 ARG 50 H -0.02 0.31 -0.11 -0.55 8.46 8.08 1v9pA1 ARG 50 HA -0.24 0.12 0.75 -0.75 4.34 4.22 1v9pA1 ARG 50 HB2 -0.58 -0.04 0.16 -0.04 1.90 1.40 1v9pA1 ARG 50 HB3 -0.19 -0.04 0.09 -0.04 1.80 1.62 1v9pA1 ARG 50 HG2 0.01 0.52 0.27 -0.04 1.67 2.43 1v9pA1 ARG 50 HG3 -0.01 0.01 0.02 -0.04 1.67 1.65 1v9pA1 ARG 50 HD2 -0.04 -0.04 -0.01 -0.04 3.22 3.09 1v9pA1 ARG 50 HD3 0.09 -0.06 -0.14 -0.04 3.22 3.06 1v9pA1 PHE 51 H -0.01 0.16 -0.71 -0.55 8.34 7.24 1v9pA1 PHE 51 HA -0.19 0.06 0.52 -0.75 4.62 4.26 1v9pA1 PHE 51 HB2 -0.13 0.13 0.10 -0.04 3.15 3.21 1v9pA1 PHE 51 HB3 -0.57 -0.11 0.12 -0.04 3.06 2.46 1v9pA1 PHE 51 HD2 -0.09 0.10 0.04 -0.04 7.28 7.28 1v9pA1 PHE 51 HE2 -0.01 -0.05 -0.01 -0.04 7.38 7.27 1v9pA1 PHE 51 HZ 0.00 0.12 -0.01 -0.04 7.32 7.39 1v9pA1 PRO 52 HA 0.01 0.36 0.47 -0.51 4.44 4.77 1v9pA1 PRO 52 HB2 -0.04 -0.04 -0.01 -0.04 2.28 2.16 1v9pA1 PRO 52 HB3 -0.02 0.03 0.10 -0.04 2.02 2.08 1v9pA1 PRO 52 HG2 -0.06 -0.01 0.03 -0.04 2.03 1.94 1v9pA1 PRO 52 HG3 -0.06 0.25 0.08 -0.04 2.03 2.26 1v9pA1 PRO 52 HD2 -0.10 0.03 -0.02 -0.04 3.68 3.55 1v9pA1 PRO 52 HD3 -0.15 0.16 -0.51 -0.04 3.65 3.11 1v9pA1 GLU 53 H -0.10 0.04 -0.44 -0.55 8.60 7.55 1v9pA1 GLU 53 HA -0.00 0.04 0.35 -0.75 4.29 3.92 1v9pA1 GLU 53 HB2 -0.02 0.01 0.01 -0.04 2.09 2.05 1v9pA1 GLU 53 HB3 -0.09 -0.04 0.06 -0.04 1.99 1.87 1v9pA1 GLU 53 HG2 -0.48 -0.05 -0.10 -0.04 2.34 1.68 1v9pA1 GLU 53 HG3 -0.96 0.08 -0.10 -0.04 2.34 1.32 1v9pA1 PHE 54 H -0.07 0.41 -0.18 -0.55 8.34 7.95 1v9pA1 PHE 54 HA 0.01 0.06 0.42 -0.75 4.62 4.36 1v9pA1 PHE 54 HB2 0.05 0.13 0.01 -0.04 3.15 3.30 1v9pA1 PHE 54 HB3 0.01 -0.05 0.07 -0.04 3.06 3.05 1v9pA1 PHE 54 HD2 -0.03 0.06 -0.22 -0.04 7.28 7.05 1v9pA1 PHE 54 HE2 -0.11 -0.04 -0.05 -0.04 7.38 7.13 1v9pA1 PHE 54 HZ -0.04 0.01 0.01 -0.04 7.32 7.26 1v9pA1 LYS 55 H 0.10 0.53 -0.33 -0.55 8.42 8.17 1v9pA1 LYS 55 HA 0.07 -0.09 0.42 -0.75 4.32 3.97 1v9pA1 LYS 55 HB2 0.04 0.06 0.12 -0.04 1.87 2.04 1v9pA1 LYS 55 HB3 0.03 -0.11 0.01 -0.04 1.79 1.67 1v9pA1 LYS 55 HG2 0.05 -0.09 0.07 -0.04 1.46 1.44 1v9pA1 LYS 55 HG3 0.04 0.22 0.26 -0.04 1.46 1.94 1v9pA1 LYS 55 HD2 0.01 -0.03 0.05 -0.04 1.69 1.68 1v9pA1 LYS 55 HD3 0.01 -0.08 -0.00 -0.04 1.68 1.57 1v9pA1 LYS 55 HE2 0.01 0.01 -0.08 -0.04 2.99 2.90 1v9pA1 LYS 55 HE3 0.00 -0.02 0.10 -0.04 2.99 3.03 1v9pA1 SER 56 H 0.03 0.15 0.26 -0.55 8.46 8.35 1v9pA1 SER 56 HA -0.00 0.23 0.76 -0.75 4.49 4.72 1v9pA1 SER 56 HB2 -0.01 -0.24 0.18 -0.04 3.95 3.84 1v9pA1 SER 56 HB3 -0.04 0.03 0.11 -0.04 3.93 3.98 1v9pA1 PRO 57 HA -0.00 0.07 0.39 -0.51 4.44 4.38 1v9pA1 PRO 57 HB2 -0.01 0.03 0.13 -0.04 2.28 2.40 1v9pA1 PRO 57 HB3 -0.01 0.02 0.13 -0.04 2.02 2.12 1v9pA1 PRO 57 HG2 -0.02 0.05 -0.02 -0.04 2.03 2.00 1v9pA1 PRO 57 HG3 -0.02 0.04 0.06 -0.04 2.03 2.08 1v9pA1 PRO 57 HD2 -0.03 0.13 0.21 -0.04 3.68 3.95 1v9pA1 PRO 57 HD3 -0.01 0.15 0.13 -0.04 3.65 3.88 1v9pA1 ASP 58 H -0.01 -0.12 -1.30 -0.55 8.40 6.43 1v9pA1 ASP 58 HA 0.02 0.09 0.69 -0.75 4.63 4.67 1v9pA1 ASP 58 HB2 -0.01 -0.03 0.03 -0.04 2.71 2.67 1v9pA1 ASP 58 HB3 0.03 0.04 -0.02 -0.04 2.70 2.72 1v9pA1 SER 59 H 0.01 0.25 0.19 -0.55 8.46 8.36 1v9pA1 SER 59 HA 0.02 0.10 0.41 -0.75 4.49 4.27 1v9pA1 SER 59 HB2 0.02 0.05 0.26 -0.04 3.95 4.24 1v9pA1 SER 59 HB3 0.02 -0.11 0.12 -0.04 3.93 3.91 1v9pA1 PRO 60 HA 0.02 0.18 0.40 -0.51 4.44 4.53 1v9pA1 PRO 60 HB2 0.01 -0.08 0.07 -0.04 2.28 2.24 1v9pA1 PRO 60 HB3 0.04 0.05 0.07 -0.04 2.02 2.15 1v9pA1 PRO 60 HG2 0.06 -0.02 0.11 -0.04 2.03 2.14 1v9pA1 PRO 60 HG3 0.06 0.17 0.12 -0.04 2.03 2.35 1v9pA1 PRO 60 HD2 0.02 0.01 0.24 -0.04 3.68 3.91 1v9pA1 PRO 60 HD3 0.03 0.19 0.26 -0.04 3.65 4.09 1v9pA1 THR 61 H 0.00 0.06 -0.29 -0.55 8.28 7.51 1v9pA1 THR 61 HA -0.02 0.00 0.38 -0.75 4.39 4.00 1v9pA1 THR 61 HB -0.01 0.01 -0.00 -0.04 4.32 4.29 1v9pA1 THR 61 HG23 -0.00 0.02 0.00 -0.04 1.22 1.19 1v9pA1 GLU 62 H -0.00 0.17 -0.22 -0.55 8.60 8.01 1v9pA1 GLU 62 HA -0.01 -0.05 0.20 -0.75 4.29 3.68 1v9pA1 GLU 62 HB2 -0.01 0.23 -0.12 -0.04 2.09 2.15 1v9pA1 GLU 62 HB3 -0.01 -0.05 0.11 -0.04 1.99 2.00 1v9pA1 GLU 62 HG2 0.00 -0.10 -0.01 -0.04 2.34 2.20 1v9pA1 GLU 62 HG3 -0.00 -0.06 -0.02 -0.04 2.34 2.21 1v9pA1 GLN 63 H -0.02 0.22 -0.66 -0.55 8.47 7.47 1v9pA1 GLN 63 HA -0.02 -0.00 0.49 -0.75 4.36 4.07 1v9pA1 GLN 63 HB2 -0.03 -0.07 0.20 -0.04 2.15 2.20 1v9pA1 GLN 63 HB3 -0.03 0.09 -0.15 -0.04 2.02 1.89 1v9pA1 GLN 63 HG2 -0.02 0.08 -0.22 -0.04 2.40 2.20 1v9pA1 GLN 63 HG3 -0.03 -0.04 -0.12 -0.04 2.39 2.16 1v9pA1 GLN 63 HE21 -0.05 -0.11 -0.30 -0.04 6.97 6.48 1v9pA1 GLN 63 HE22 -0.02 0.09 -0.04 -0.04 7.69 7.68 1v9pA1 VAL 64 H -0.02 0.40 0.27 -0.55 8.24 8.35 1v9pA1 VAL 64 HA -0.03 0.10 0.27 -0.75 4.13 3.72 1v9pA1 VAL 64 HB -0.04 -0.31 0.25 -0.04 2.12 1.97 1v9pA1 VAL 64 HG13 -0.03 0.02 0.02 -0.04 0.97 0.94 1v9pA1 VAL 64 HG23 -0.03 0.04 0.03 -0.04 0.95 0.96 1v9pA1 GLY 65 H -0.03 0.10 0.20 -0.55 8.43 8.15 1v9pA1 GLY 65 HA2 -0.01 -0.02 0.32 -0.51 4.01 3.79 1v9pA1 GLY 65 HA3 -0.02 0.24 0.92 -0.51 4.01 4.65 1v9pA1 ALA 66 H 0.02 0.15 0.10 -0.55 8.40 8.13 1v9pA1 ALA 66 HA 0.13 0.17 0.74 -0.75 4.34 4.63 1v9pA1 ALA 66 HB3 0.10 -0.01 0.16 -0.04 1.41 1.62 1v9pA1 ARG 67 H -0.10 0.16 -0.72 -0.55 8.46 7.25 1v9pA1 ARG 67 HA -0.06 0.17 0.81 -0.75 4.34 4.52 1v9pA1 ARG 67 HB2 -0.08 0.11 -0.11 -0.04 1.90 1.78 1v9pA1 ARG 67 HB3 -0.05 0.04 0.08 -0.04 1.80 1.83 1v9pA1 ARG 67 HG2 0.00 0.01 -0.15 -0.04 1.67 1.49 1v9pA1 ARG 67 HG3 -0.02 -0.13 -0.10 -0.04 1.67 1.39 1v9pA1 ARG 67 HD2 -0.02 0.11 0.00 -0.04 3.22 3.27 1v9pA1 ARG 67 HD3 -0.01 -0.01 0.00 -0.04 3.22 3.16 1v9pA1 PRO 68 HA -0.41 0.04 0.50 -0.51 4.44 4.06 1v9pA1 PRO 68 HB2 0.00 0.03 -0.03 -0.04 2.28 2.25 1v9pA1 PRO 68 HB3 0.03 0.06 0.08 -0.04 2.02 2.15 1v9pA1 PRO 68 HG2 -0.03 0.03 0.13 -0.04 2.03 2.12 1v9pA1 PRO 68 HG3 0.02 -0.00 0.09 -0.04 2.03 2.09 1v9pA1 PRO 68 HD2 -0.04 0.06 0.19 -0.04 3.68 3.85 1v9pA1 PRO 68 HD3 0.01 0.13 0.17 -0.04 3.65 3.92 1v9pA1 LEU 69 H -0.17 0.11 0.17 -0.55 8.37 7.93 1v9pA1 LEU 69 HA -0.05 0.04 0.35 -0.75 4.35 3.93 1v9pA1 LEU 69 HB2 0.01 -0.02 0.17 -0.04 1.64 1.75 1v9pA1 LEU 69 HB3 0.04 -0.03 0.19 -0.04 1.64 1.80 1v9pA1 LEU 69 HG 0.04 0.07 -0.10 -0.04 1.64 1.60 1v9pA1 LEU 69 HD13 0.00 -0.00 0.01 -0.04 0.93 0.90 1v9pA1 LEU 69 HD23 0.09 -0.03 0.00 -0.04 0.89 0.91 1v9pA1 GLU 70 H -0.03 0.10 0.25 -0.55 8.60 8.37 1v9pA1 GLU 70 HA 0.02 0.16 0.64 -0.75 4.29 4.35 1v9pA1 GLU 70 HB2 -0.06 -0.09 0.07 -0.04 2.09 1.97 1v9pA1 GLU 70 HB3 -0.07 0.06 0.17 -0.04 1.99 2.11 1v9pA1 GLU 70 HG2 -0.00 0.18 -0.00 -0.04 2.34 2.47 1v9pA1 GLU 70 HG3 -0.03 0.33 0.12 -0.04 2.34 2.72 1v9pA1 PRO 71 HA 0.06 0.09 0.78 -0.51 4.44 4.86 1v9pA1 PRO 71 HB2 0.25 0.05 -0.03 -0.04 2.28 2.52 1v9pA1 PRO 71 HB3 0.13 -0.19 0.03 -0.04 2.02 1.95 1v9pA1 PRO 71 HG2 0.56 -0.01 0.20 -0.04 2.03 2.74 1v9pA1 PRO 71 HG3 0.29 0.09 0.14 -0.04 2.03 2.51 1v9pA1 PRO 71 HD2 0.03 0.18 0.38 -0.04 3.68 4.23 1v9pA1 PRO 71 HD3 0.09 0.15 0.27 -0.04 3.65 4.11 1v9pA1 THR 72 H 0.03 0.18 0.13 -0.55 8.28 8.07 1v9pA1 THR 72 HA -0.18 0.07 0.53 -0.75 4.39 4.06 1v9pA1 THR 72 HB -0.03 -0.03 0.06 -0.04 4.32 4.28 1v9pA1 THR 72 HG23 -0.02 0.15 0.12 -0.04 1.22 1.43 1v9pA1 PHE 73 H -0.31 0.18 0.20 -0.55 8.34 7.86 1v9pA1 PHE 73 HA 0.03 0.30 0.42 -0.75 4.62 4.62 1v9pA1 PHE 73 HB2 0.02 -0.05 0.15 -0.04 3.15 3.23 1v9pA1 PHE 73 HB3 0.03 -0.07 0.18 -0.04 3.06 3.15 1v9pA1 PHE 73 HD2 0.03 0.03 -0.10 -0.04 7.28 7.19 1v9pA1 PHE 73 HE2 0.03 -0.02 -0.05 -0.04 7.38 7.30 1v9pA1 PHE 73 HZ 0.03 -0.04 -0.69 -0.04 7.32 6.58 1v9pA1 ARG 74 H 0.11 0.61 -0.66 -0.55 8.46 7.98 1v9pA1 ARG 74 HA 0.06 0.07 0.44 -0.75 4.34 4.16 1v9pA1 ARG 74 HB2 0.01 0.03 0.04 -0.04 1.90 1.94 1v9pA1 ARG 74 HB3 0.02 -0.04 0.00 -0.04 1.80 1.74 1v9pA1 ARG 74 HG2 0.06 0.13 0.13 -0.04 1.67 1.95 1v9pA1 ARG 74 HG3 0.02 0.05 -0.19 -0.04 1.67 1.50 1v9pA1 ARG 74 HD2 -0.01 -0.00 -0.04 -0.04 3.22 3.12 1v9pA1 ARG 74 HD3 0.00 0.04 -0.13 -0.04 3.22 3.09 1v9pA1 PRO 75 HA 0.02 0.07 0.21 -0.51 4.44 4.23 1v9pA1 PRO 75 HB2 -0.00 -0.01 -0.00 -0.04 2.28 2.22 1v9pA1 PRO 75 HB3 0.00 -0.03 -0.06 -0.04 2.02 1.88 1v9pA1 PRO 75 HG2 0.02 0.00 0.04 -0.04 2.03 2.05 1v9pA1 PRO 75 HG3 0.03 0.06 0.00 -0.04 2.03 2.08 1v9pA1 PRO 75 HD2 0.02 0.07 0.19 -0.04 3.68 3.91 1v9pA1 PRO 75 HD3 0.05 0.19 0.25 -0.04 3.65 4.09 1v9pA1 VAL 76 H -0.04 0.28 0.16 -0.55 8.24 8.10 1v9pA1 VAL 76 HA -0.07 0.09 0.79 -0.75 4.13 4.18 1v9pA1 VAL 76 HB 0.12 -0.04 -0.01 -0.04 2.12 2.14 1v9pA1 VAL 76 HG13 -0.23 0.04 -0.13 -0.04 0.97 0.61 1v9pA1 VAL 76 HG23 0.01 0.08 -0.32 -0.04 0.95 0.68 1v9pA1 ARG 77 H -0.09 0.13 0.09 -0.55 8.46 8.03 1v9pA1 ARG 77 HA -0.17 0.25 0.64 -0.75 4.34 4.31 1v9pA1 ARG 77 HB2 -0.06 -0.09 0.01 -0.04 1.90 1.72 1v9pA1 ARG 77 HB3 -0.06 -0.05 0.09 -0.04 1.80 1.74 1v9pA1 ARG 77 HG2 -0.03 0.06 -0.39 -0.04 1.67 1.27 1v9pA1 ARG 77 HG3 -0.02 0.10 -0.05 -0.04 1.67 1.65 1v9pA1 ARG 77 HD2 -0.03 -0.04 -0.07 -0.04 3.22 3.04 1v9pA1 ARG 77 HD3 -0.02 0.02 -0.07 -0.04 3.22 3.10 1v9pA1 HIS 78 H -0.12 0.58 0.30 -0.55 8.41 8.62 1v9pA1 HIS 78 HA 0.11 0.06 0.49 -0.75 4.63 4.53 1v9pA1 HIS 78 HB2 -0.00 0.32 0.06 -0.04 3.26 3.60 1v9pA1 HIS 78 HB3 0.02 -0.14 0.01 -0.04 3.20 3.05 1v9pA1 HIS 78 HD2 -0.01 -0.03 -0.31 -0.04 6.97 6.58 1v9pA1 HIS 78 HE1 0.02 0.19 -0.30 -0.04 7.75 7.62 1v9pA1 PRO 79 HA -0.04 0.05 0.35 -0.51 4.44 4.30 1v9pA1 PRO 79 HB2 0.00 -0.14 0.10 -0.04 2.28 2.20 1v9pA1 PRO 79 HB3 -0.07 -0.00 0.05 -0.04 2.02 1.95 1v9pA1 PRO 79 HG2 -0.35 -0.00 0.03 -0.04 2.03 1.67 1v9pA1 PRO 79 HG3 -0.35 0.07 0.05 -0.04 2.03 1.75 1v9pA1 PRO 79 HD2 0.10 0.05 0.14 -0.04 3.68 3.93 1v9pA1 PRO 79 HD3 0.11 0.21 0.16 -0.04 3.65 4.10 1v9pA1 THR 80 H 0.05 0.05 -0.11 -0.55 8.28 7.72 1v9pA1 THR 80 HA 0.02 0.21 0.92 -0.75 4.39 4.78 1v9pA1 THR 80 HB 0.04 0.10 0.08 -0.04 4.32 4.50 1v9pA1 THR 80 HG23 0.04 -0.02 -0.06 -0.04 1.22 1.14 1v9pA1 ARG 81 H -0.04 0.05 0.10 -0.55 8.46 8.02 1v9pA1 ARG 81 HA -0.06 0.22 0.62 -0.75 4.34 4.37 1v9pA1 ARG 81 HB2 -0.16 -0.01 0.05 -0.04 1.90 1.74 1v9pA1 ARG 81 HB3 -0.25 -0.08 0.07 -0.04 1.80 1.49 1v9pA1 ARG 81 HG2 -0.92 -0.05 -0.42 -0.04 1.67 0.24 1v9pA1 ARG 81 HG3 -0.33 0.16 -0.05 -0.04 1.67 1.41 1v9pA1 ARG 81 HD2 -0.27 -0.03 -0.05 -0.04 3.22 2.83 1v9pA1 ARG 81 HD3 -0.60 -0.05 -0.07 -0.04 3.22 2.45 1v9pA1 MET 82 H -0.14 0.81 0.31 -0.55 8.47 8.90 1v9pA1 MET 82 HA 0.02 0.07 0.77 -0.75 4.52 4.63 1v9pA1 MET 82 HB2 -0.14 -0.02 0.12 -0.04 2.15 2.07 1v9pA1 MET 82 HB3 -0.05 0.00 -0.04 -0.04 2.03 1.91 1v9pA1 MET 82 HG2 -0.14 -0.02 -0.18 -0.04 2.63 2.26 1v9pA1 MET 82 HG3 -0.39 0.07 -0.17 -0.04 2.56 2.04 1v9pA1 MET 82 HE3 -0.08 -0.01 -0.25 -0.04 2.10 1.73 1v9pA1 TYR 83 H 0.28 0.09 0.01 -0.55 8.29 8.11 1v9pA1 TYR 83 HA 0.02 0.26 0.86 -0.75 4.56 4.95 1v9pA1 TYR 83 HB2 0.16 -0.05 -0.08 -0.04 3.06 3.04 1v9pA1 TYR 83 HB3 0.08 0.07 -0.04 -0.04 2.98 3.05 1v9pA1 TYR 83 HD2 -0.00 -0.03 -0.26 -0.04 7.15 6.81 1v9pA1 TYR 83 HE2 -0.39 0.09 -0.14 -0.04 6.85 6.37 1v9pA1 SER 84 H 0.22 0.32 0.13 -0.55 8.46 8.58 1v9pA1 SER 84 HA 0.05 0.10 0.77 -0.75 4.49 4.65 1v9pA1 SER 84 HB2 0.02 -0.01 0.08 -0.04 3.95 4.01 1v9pA1 SER 84 HB3 0.04 0.01 -0.03 -0.04 3.93 3.91 1v9pA1 LEU 85 H -0.03 0.10 0.09 -0.55 8.37 7.98 1v9pA1 LEU 85 HA -0.12 0.15 0.72 -0.75 4.35 4.34 1v9pA1 LEU 85 HB2 -0.11 -0.00 -0.05 -0.04 1.64 1.43 1v9pA1 LEU 85 HB3 -0.18 -0.03 -0.03 -0.04 1.64 1.36 1v9pA1 LEU 85 HG -0.09 0.01 -0.13 -0.04 1.64 1.38 1v9pA1 LEU 85 HD13 -0.16 -0.00 -0.26 -0.04 0.93 0.46 1v9pA1 LEU 85 HD23 -0.19 0.01 -0.25 -0.04 0.89 0.42 1v9pA1 ASP 86 H -0.16 0.17 0.20 -0.55 8.40 8.06 1v9pA1 ASP 86 HA -0.04 0.16 0.74 -0.75 4.63 4.73 1v9pA1 ASP 86 HB2 -0.12 0.07 0.17 -0.04 2.71 2.78 1v9pA1 ASP 86 HB3 -0.07 -0.02 -0.01 -0.04 2.70 2.55 1v9pA1 ASN 87 H 0.02 0.15 0.16 -0.55 8.53 8.32 1v9pA1 ASN 87 HA -0.09 0.32 1.21 -0.75 4.76 5.45 1v9pA1 ASN 87 HB2 0.23 -0.04 0.13 -0.04 2.88 3.16 1v9pA1 ASN 87 HB3 0.14 0.06 -0.05 -0.04 2.79 2.89 1v9pA1 ASN 87 HD21 0.01 0.01 -0.06 -0.04 7.03 6.95 1v9pA1 ASN 87 HD22 0.14 -0.02 -0.02 -0.04 7.74 7.80 1v9pA1 ALA 88 H -0.12 0.67 0.39 -0.55 8.40 8.79 1v9pA1 ALA 88 HA 0.10 0.08 0.85 -0.75 4.34 4.61 1v9pA1 ALA 88 HB3 -0.26 -0.01 -0.06 -0.04 1.41 1.05 1v9pA1 PHE 89 H 0.26 -0.02 0.23 -0.55 8.34 8.25 1v9pA1 PHE 89 HA 0.20 0.37 0.98 -0.75 4.62 5.41 1v9pA1 PHE 89 HB2 0.04 -0.06 0.04 -0.04 3.15 3.12 1v9pA1 PHE 89 HB3 0.09 0.03 0.13 -0.04 3.06 3.27 1v9pA1 PHE 89 HD2 0.04 -0.11 -0.28 -0.04 7.28 6.90 1v9pA1 PHE 89 HE2 0.02 -0.00 -0.11 -0.04 7.38 7.25 1v9pA1 PHE 89 HZ 0.02 -0.00 -0.05 -0.04 7.32 7.25 1v9pA1 THR 90 H 0.03 -0.01 0.21 -0.55 8.28 7.96 1v9pA1 THR 90 HA 0.15 0.32 0.90 -0.75 4.39 5.00 1v9pA1 THR 90 HB 0.07 0.03 0.17 -0.04 4.32 4.54 1v9pA1 THR 90 HG23 0.09 0.05 -0.12 -0.04 1.22 1.19 1v9pA1 TYR 91 H 0.14 0.19 0.15 -0.55 8.29 8.22 1v9pA1 TYR 91 HA -0.28 0.16 0.41 -0.75 4.56 4.09 1v9pA1 TYR 91 HB2 -0.02 0.06 0.06 -0.04 3.06 3.13 1v9pA1 TYR 91 HB3 -0.02 -0.02 0.08 -0.04 2.98 2.98 1v9pA1 TYR 91 HD2 -0.02 0.01 -0.12 -0.04 7.15 6.97 1v9pA1 TYR 91 HE2 0.00 -0.01 -0.29 -0.04 6.85 6.51 1v9pA1 GLU 92 H -0.01 0.02 -0.15 -0.55 8.60 7.91 1v9pA1 GLU 92 HA -0.14 0.07 0.39 -0.75 4.29 3.86 1v9pA1 GLU 92 HB2 -0.05 -0.01 -0.01 -0.04 2.09 1.98 1v9pA1 GLU 92 HB3 -0.03 0.06 0.06 -0.04 1.99 2.04 1v9pA1 GLU 92 HG2 0.01 -0.09 0.07 -0.04 2.34 2.30 1v9pA1 GLU 92 HG3 0.01 0.09 0.04 -0.04 2.34 2.44 1v9pA1 GLU 93 H -0.11 0.05 -0.14 -0.55 8.60 7.84 1v9pA1 GLU 93 HA -0.10 0.01 0.63 -0.75 4.29 4.07 1v9pA1 GLU 93 HB2 -0.14 0.03 0.12 -0.04 2.09 2.06 1v9pA1 GLU 93 HB3 -0.09 0.05 0.12 -0.04 1.99 2.03 1v9pA1 GLU 93 HG2 -0.04 0.07 0.07 -0.04 2.34 2.40 1v9pA1 GLU 93 HG3 -0.04 -0.08 0.10 -0.04 2.34 2.27 1v9pA1 VAL 94 H -0.07 0.04 0.12 -0.55 8.24 7.78 1v9pA1 VAL 94 HA -0.13 0.04 0.32 -0.75 4.13 3.60 1v9pA1 VAL 94 HB -0.48 0.35 0.18 -0.04 2.12 2.12 1v9pA1 VAL 94 HG13 -0.21 -0.04 0.03 -0.04 0.97 0.70 1v9pA1 VAL 94 HG23 -0.88 -0.01 -0.34 -0.04 0.95 -0.32 1v9pA1 LEU 95 H -0.26 0.28 -0.82 -0.55 8.37 7.02 1v9pA1 LEU 95 HA -0.19 0.06 0.84 -0.75 4.35 4.31 1v9pA1 LEU 95 HB2 -0.62 -0.01 0.09 -0.04 1.64 1.05 1v9pA1 LEU 95 HB3 -0.37 0.30 0.29 -0.04 1.64 1.82 1v9pA1 LEU 95 HG -0.10 -0.02 -0.26 -0.04 1.64 1.22 1v9pA1 LEU 95 HD13 -0.04 -0.02 -0.00 -0.04 0.93 0.82 1v9pA1 LEU 95 HD23 -0.07 -0.00 0.01 -0.04 0.89 0.79 1v9pA1 ALA 96 H -0.14 0.84 0.36 -0.55 8.40 8.92 1v9pA1 ALA 96 HA -0.05 0.12 0.42 -0.75 4.34 4.07 1v9pA1 ALA 96 HB3 -0.05 0.00 0.14 -0.04 1.41 1.46 1v9pA1 PHE 97 H 0.04 -0.19 -0.23 -0.55 8.34 7.40 1v9pA1 PHE 97 HA -0.10 0.16 0.34 -0.75 4.62 4.27 1v9pA1 PHE 97 HB2 -0.16 -0.05 0.08 -0.04 3.15 2.98 1v9pA1 PHE 97 HB3 -0.18 -0.09 0.04 -0.04 3.06 2.78 1v9pA1 PHE 97 HD2 -0.18 -0.04 -0.09 -0.04 7.28 6.92 1v9pA1 PHE 97 HE2 -0.26 0.06 -0.16 -0.04 7.38 6.98 1v9pA1 PHE 97 HZ -0.23 -0.05 -0.57 -0.04 7.32 6.44 1v9pA1 GLU 98 H 0.05 0.15 -0.43 -0.55 8.60 7.83 1v9pA1 GLU 98 HA -0.16 0.09 0.37 -0.75 4.29 3.85 1v9pA1 GLU 98 HB2 0.25 -0.00 0.12 -0.04 2.09 2.42 1v9pA1 GLU 98 HB3 0.08 0.07 0.10 -0.04 1.99 2.20 1v9pA1 GLU 98 HG2 0.20 0.04 -0.08 -0.04 2.34 2.45 1v9pA1 GLU 98 HG3 0.44 0.03 0.14 -0.04 2.34 2.91 1v9pA1 GLU 99 H -0.06 0.49 -0.52 -0.55 8.60 7.97 1v9pA1 GLU 99 HA -0.00 0.00 0.49 -0.75 4.29 4.02 1v9pA1 GLU 99 HB2 -0.04 0.09 0.13 -0.04 2.09 2.22 1v9pA1 GLU 99 HB3 -0.04 0.06 0.08 -0.04 1.99 2.05 1v9pA1 GLU 99 HG2 -0.02 -0.00 -0.00 -0.04 2.34 2.27 1v9pA1 GLU 99 HG3 -0.01 -0.02 0.07 -0.04 2.34 2.34 1v9pA1 ARG 100 H -0.13 0.67 0.07 -0.55 8.46 8.52 1v9pA1 ARG 100 HA -0.08 -0.03 0.38 -0.75 4.34 3.85 1v9pA1 ARG 100 HB2 -0.10 -0.08 0.14 -0.04 1.90 1.82 1v9pA1 ARG 100 HB3 -0.28 0.24 0.20 -0.04 1.80 1.92 1v9pA1 ARG 100 HG2 -0.12 0.02 0.00 -0.04 1.67 1.53 1v9pA1 ARG 100 HG3 -0.08 -0.06 0.06 -0.04 1.67 1.55 1v9pA1 ARG 100 HD2 -0.22 0.11 -0.03 -0.04 3.22 3.03 1v9pA1 ARG 100 HD3 -0.10 -0.02 -0.01 -0.04 3.22 3.05 1v9pA1 LEU 101 H -0.25 0.23 -0.57 -0.55 8.37 7.24 1v9pA1 LEU 101 HA -0.21 0.10 0.45 -0.75 4.35 3.94 1v9pA1 LEU 101 HB2 -0.19 0.17 0.08 -0.04 1.64 1.67 1v9pA1 LEU 101 HB3 -0.41 -0.07 0.02 -0.04 1.64 1.14 1v9pA1 LEU 101 HG -0.73 0.14 0.01 -0.04 1.64 1.02 1v9pA1 LEU 101 HD13 -0.23 -0.04 -0.02 -0.04 0.93 0.59 1v9pA1 LEU 101 HD23 -0.34 0.06 -0.04 -0.04 0.89 0.52 1v9pA1 GLU 102 H -0.02 0.44 -0.28 -0.55 8.60 8.20 1v9pA1 GLU 102 HA 0.16 -0.08 0.39 -0.75 4.29 4.00 1v9pA1 GLU 102 HB2 0.01 0.13 0.12 -0.04 2.09 2.31 1v9pA1 GLU 102 HB3 0.04 -0.12 0.14 -0.04 1.99 2.00 1v9pA1 GLU 102 HG2 0.13 0.05 0.18 -0.04 2.34 2.67 1v9pA1 GLU 102 HG3 0.02 -0.10 0.37 -0.04 2.34 2.59 1v9pA1 ARG 103 H -0.04 0.33 -0.56 -0.55 8.46 7.64 1v9pA1 ARG 103 HA -0.01 -0.05 0.38 -0.75 4.34 3.90 1v9pA1 ARG 103 HB2 -0.04 0.05 0.22 -0.04 1.90 2.09 1v9pA1 ARG 103 HB3 -0.03 -0.07 0.09 -0.04 1.80 1.76 1v9pA1 ARG 103 HG2 -0.06 0.49 0.18 -0.04 1.67 2.24 1v9pA1 ARG 103 HG3 -0.04 -0.09 0.10 -0.04 1.67 1.60 1v9pA1 ARG 103 HD2 -0.02 -0.08 -0.09 -0.04 3.22 2.99 1v9pA1 ARG 103 HD3 -0.03 -0.05 -0.02 -0.04 3.22 3.08 1v9pA1 ALA 104 H 0.01 0.25 0.28 -0.55 8.40 8.40 1v9pA1 ALA 104 HA -0.00 -0.05 0.38 -0.75 4.34 3.92 1v9pA1 ALA 104 HB3 -0.02 0.08 0.14 -0.04 1.41 1.58 1v9pA1 LEU 105 H 0.05 0.27 -0.05 -0.55 8.37 8.10 1v9pA1 LEU 105 HA 0.21 0.03 0.24 -0.75 4.35 4.08 1v9pA1 LEU 105 HB2 0.04 0.19 0.11 -0.04 1.64 1.94 1v9pA1 LEU 105 HB3 0.03 -0.11 0.21 -0.04 1.64 1.72 1v9pA1 LEU 105 HG 0.09 0.08 0.14 -0.04 1.64 1.91 1v9pA1 LEU 105 HD13 -0.01 0.05 0.16 -0.04 0.93 1.09 1v9pA1 LEU 105 HD23 -0.01 -0.01 0.03 -0.04 0.89 0.86 1v9pA1 GLY 106 H 0.03 -0.13 0.18 -0.55 8.43 7.96 1v9pA1 GLY 106 HA2 0.02 0.08 0.28 -0.51 4.01 3.87 1v9pA1 GLY 106 HA3 0.04 0.15 0.64 -0.51 4.01 4.33 1v9pA1 ARG 107 H -0.01 0.05 0.22 -0.55 8.46 8.16 1v9pA1 ARG 107 HA -0.03 0.02 0.38 -0.75 4.34 3.95 1v9pA1 ARG 107 HB2 -0.02 0.29 -0.12 -0.04 1.90 2.01 1v9pA1 ARG 107 HB3 -0.04 -0.01 0.37 -0.04 1.80 2.08 1v9pA1 ARG 107 HG2 -0.02 -0.03 0.05 -0.04 1.67 1.62 1v9pA1 ARG 107 HG3 -0.01 0.02 -0.02 -0.04 1.67 1.62 1v9pA1 ARG 107 HD2 -0.02 0.00 0.04 -0.04 3.22 3.20 1v9pA1 ARG 107 HD3 -0.03 0.00 0.08 -0.04 3.22 3.23 1v9pA1 LYS 108 H -0.08 0.10 0.14 -0.55 8.42 8.02 1v9pA1 LYS 108 HA -0.15 0.09 0.35 -0.75 4.32 3.86 1v9pA1 LYS 108 HB2 -0.43 -0.16 0.06 -0.04 1.87 1.29 1v9pA1 LYS 108 HB3 -0.19 0.29 -0.06 -0.04 1.79 1.79 1v9pA1 LYS 108 HG2 -0.16 -0.23 -0.48 -0.04 1.46 0.54 1v9pA1 LYS 108 HG3 -0.90 0.00 -0.35 -0.04 1.46 0.17 1v9pA1 LYS 108 HD2 -0.18 -0.03 -0.14 -0.04 1.69 1.31 1v9pA1 LYS 108 HD3 -0.09 0.17 -0.26 -0.04 1.68 1.46 1v9pA1 LYS 108 HE2 0.09 -0.05 -0.35 -0.04 2.99 2.65 1v9pA1 LYS 108 HE3 0.46 -0.03 -0.21 -0.04 2.99 3.16 1v9pA1 ARG 109 H -0.44 0.23 0.02 -0.55 8.46 7.72 1v9pA1 ARG 109 HA -0.24 0.12 0.40 -0.75 4.34 3.87 1v9pA1 ARG 109 HB2 -0.08 0.15 0.08 -0.04 1.90 2.02 1v9pA1 ARG 109 HB3 -0.11 -0.01 -0.07 -0.04 1.80 1.58 1v9pA1 ARG 109 HG2 -0.02 -0.11 -0.23 -0.04 1.67 1.27 1v9pA1 ARG 109 HG3 0.01 0.01 -0.03 -0.04 1.67 1.62 1v9pA1 ARG 109 HD2 -0.01 0.06 -0.01 -0.04 3.22 3.22 1v9pA1 ARG 109 HD3 -0.02 0.02 -0.04 -0.04 3.22 3.14 1v9pA1 PRO 110 HA -0.05 -0.09 0.51 -0.51 4.44 4.31 1v9pA1 PRO 110 HB2 -0.12 0.07 0.18 -0.04 2.28 2.37 1v9pA1 PRO 110 HB3 -0.04 0.05 0.00 -0.04 2.02 1.98 1v9pA1 PRO 110 HG2 -0.07 0.12 0.07 -0.04 2.03 2.10 1v9pA1 PRO 110 HG3 -0.05 0.03 0.05 -0.04 2.03 2.02 1v9pA1 PRO 110 HD2 -0.20 0.10 0.21 -0.04 3.68 3.76 1v9pA1 PRO 110 HD3 -0.13 0.19 0.10 -0.04 3.65 3.77 1v9pA1 PHE 111 H -0.00 0.10 0.44 -0.55 8.34 8.33 1v9pA1 PHE 111 HA -0.17 0.19 0.92 -0.75 4.62 4.81 1v9pA1 PHE 111 HB2 -0.40 -0.04 0.17 -0.04 3.15 2.84 1v9pA1 PHE 111 HB3 -0.58 0.06 -0.06 -0.04 3.06 2.43 1v9pA1 PHE 111 HD2 -0.09 -0.02 0.03 -0.04 7.28 7.17 1v9pA1 PHE 111 HE2 -0.05 0.04 -0.16 -0.04 7.38 7.17 1v9pA1 PHE 111 HZ -0.04 -0.02 -0.20 -0.04 7.32 7.02 1v9pA1 LEU 112 H 0.01 0.18 0.18 -0.55 8.37 8.19 1v9pA1 LEU 112 HA -0.03 0.10 0.57 -0.75 4.35 4.23 1v9pA1 LEU 112 HB2 -0.00 0.03 0.14 -0.04 1.64 1.77 1v9pA1 LEU 112 HB3 0.02 -0.05 0.20 -0.04 1.64 1.76 1v9pA1 LEU 112 HG 0.06 -0.03 -0.11 -0.04 1.64 1.52 1v9pA1 LEU 112 HD13 0.04 0.01 0.07 -0.04 0.93 1.02 1v9pA1 LEU 112 HD23 0.00 0.00 0.01 -0.04 0.89 0.86 1v9pA1 TYR 113 H 0.15 0.77 0.52 -0.55 8.29 9.18 1v9pA1 TYR 113 HA 0.16 0.09 0.99 -0.75 4.56 5.05 1v9pA1 TYR 113 HB2 0.11 0.01 -0.04 -0.04 3.06 3.10 1v9pA1 TYR 113 HB3 0.13 -0.01 -0.02 -0.04 2.98 3.03 1v9pA1 TYR 113 HD2 0.14 0.00 -0.33 -0.04 7.15 6.92 1v9pA1 TYR 113 HE2 0.12 -0.08 -0.08 -0.04 6.85 6.77 1v9pA1 THR 114 H 0.32 0.64 0.29 -0.55 8.28 8.99 1v9pA1 THR 114 HA 0.27 0.11 0.82 -0.75 4.39 4.83 1v9pA1 THR 114 HB 0.25 0.06 0.12 -0.04 4.32 4.70 1v9pA1 THR 114 HG23 0.23 0.01 -0.24 -0.04 1.22 1.18 1v9pA1 VAL 115 H 0.19 1.00 0.34 -0.55 8.24 9.22 1v9pA1 VAL 115 HA 0.07 0.36 1.08 -0.75 4.13 4.88 1v9pA1 VAL 115 HB -0.06 0.04 0.02 -0.04 2.12 2.08 1v9pA1 VAL 115 HG13 -0.13 0.00 -0.19 -0.04 0.97 0.61 1v9pA1 VAL 115 HG23 0.05 -0.03 -0.20 -0.04 0.95 0.72 1v9pA1 GLU 116 H 0.09 0.26 0.28 -0.55 8.60 8.69 1v9pA1 GLU 116 HA 0.29 0.25 1.00 -0.75 4.29 5.07 1v9pA1 GLU 116 HB2 0.29 0.10 0.03 -0.04 2.09 2.46 1v9pA1 GLU 116 HB3 0.23 -0.06 -0.10 -0.04 1.99 2.03 1v9pA1 GLU 116 HG2 0.11 0.01 -0.02 -0.04 2.34 2.40 1v9pA1 GLU 116 HG3 0.12 0.03 -0.10 -0.04 2.34 2.34 1v9pA1 HIS 117 H 0.41 0.58 0.22 -0.55 8.41 9.07 1v9pA1 HIS 117 HA 0.24 0.12 0.55 -0.75 4.63 4.78 1v9pA1 HIS 117 HB2 0.27 -0.09 0.07 -0.04 3.26 3.48 1v9pA1 HIS 117 HB3 0.22 0.01 -0.05 -0.04 3.20 3.34 1v9pA1 HIS 117 HD2 -0.11 0.05 -0.02 -0.04 6.97 6.84 1v9pA1 HIS 117 HE1 -0.62 0.02 -0.06 -0.04 7.75 7.05 1v9pA1 LYS 118 H 0.10 0.36 0.07 -0.55 8.42 8.39 1v9pA1 LYS 118 HA -0.02 0.18 0.68 -0.75 4.32 4.41 1v9pA1 LYS 118 HB2 -0.14 -0.02 -0.19 -0.04 1.87 1.48 1v9pA1 LYS 118 HB3 -0.09 0.00 -0.19 -0.04 1.79 1.47 1v9pA1 LYS 118 HG2 -0.09 0.07 -0.36 -0.04 1.46 1.03 1v9pA1 LYS 118 HG3 -0.11 -0.14 -0.61 -0.04 1.46 0.56 1v9pA1 LYS 118 HD2 -0.14 0.06 -0.28 -0.04 1.69 1.29 1v9pA1 LYS 118 HD3 -0.19 -0.06 -0.34 -0.04 1.68 1.04 1v9pA1 LYS 118 HE2 -0.11 -0.04 -0.24 -0.04 2.99 2.56 1v9pA1 LYS 118 HE3 -0.11 0.03 -0.22 -0.04 2.99 2.66 1v9pA1 VAL 119 H -0.07 0.25 -0.14 -0.55 8.24 7.73 1v9pA1 VAL 119 HA -0.12 0.08 0.21 -0.75 4.13 3.54 1v9pA1 VAL 119 HB -0.23 -0.01 -0.02 -0.04 2.12 1.81 1v9pA1 VAL 119 HG13 -0.71 0.01 -0.38 -0.04 0.97 -0.15 1v9pA1 VAL 119 HG23 -0.41 0.02 -0.12 -0.04 0.95 0.40 1v9pA1 ASP 120 H 0.04 0.51 0.29 -0.55 8.40 8.69 1v9pA1 ASP 120 HA -0.03 0.02 0.43 -0.75 4.63 4.29 1v9pA1 ASP 120 HB2 0.01 -0.08 0.05 -0.04 2.71 2.65 1v9pA1 ASP 120 HB3 0.02 0.14 0.24 -0.04 2.70 3.06 1v9pA1 GLY 121 H -0.04 0.34 0.18 -0.55 8.43 8.37 1v9pA1 GLY 121 HA2 0.01 0.10 0.60 -0.51 4.01 4.22 1v9pA1 GLY 121 HA3 0.01 0.02 0.12 -0.51 4.01 3.66 1v9pA1 LEU 122 H 0.00 0.62 0.25 -0.55 8.37 8.69 1v9pA1 LEU 122 HA -0.01 0.13 1.13 -0.75 4.35 4.85 1v9pA1 LEU 122 HB2 -0.02 0.11 0.11 -0.04 1.64 1.79 1v9pA1 LEU 122 HB3 -0.01 0.04 -0.01 -0.04 1.64 1.61 1v9pA1 LEU 122 HG -0.01 0.03 -0.09 -0.04 1.64 1.52 1v9pA1 LEU 122 HD13 -0.03 0.02 -0.12 -0.04 0.93 0.76 1v9pA1 LEU 122 HD23 -0.03 -0.01 -0.02 -0.04 0.89 0.79 1v9pA1 SER 123 H 0.01 0.10 0.16 -0.55 8.46 8.19 1v9pA1 SER 123 HA 0.02 0.27 0.57 -0.75 4.49 4.59 1v9pA1 SER 123 HB2 0.01 -0.12 0.08 -0.04 3.95 3.88 1v9pA1 SER 123 HB3 0.03 0.09 0.03 -0.04 3.93 4.05 1v9pA1 VAL 124 H 0.00 0.45 0.28 -0.55 8.24 8.42 1v9pA1 VAL 124 HA 0.02 0.16 0.91 -0.75 4.13 4.47 1v9pA1 VAL 124 HB 0.06 0.10 -0.13 -0.04 2.12 2.10 1v9pA1 VAL 124 HG13 0.01 0.04 -0.26 -0.04 0.97 0.72 1v9pA1 VAL 124 HG23 0.17 -0.01 -0.32 -0.04 0.95 0.74 1v9pA1 ASN 125 H 0.00 1.04 0.28 -0.55 8.53 9.30 1v9pA1 ASN 125 HA -0.04 0.17 0.87 -0.75 4.76 5.01 1v9pA1 ASN 125 HB2 -0.17 0.02 -0.18 -0.04 2.88 2.51 1v9pA1 ASN 125 HB3 -0.01 -0.10 -0.05 -0.04 2.79 2.59 1v9pA1 ASN 125 HD21 -0.09 -0.04 -0.16 -0.04 7.03 6.70 1v9pA1 ASN 125 HD22 -0.66 0.04 -0.17 -0.04 7.74 6.91 1v9pA1 LEU 126 H -0.04 0.45 0.08 -0.55 8.37 8.32 1v9pA1 LEU 126 HA -0.17 0.19 1.02 -0.75 4.35 4.63 1v9pA1 LEU 126 HB2 -0.06 0.05 0.02 -0.04 1.64 1.61 1v9pA1 LEU 126 HB3 0.49 -0.01 0.02 -0.04 1.64 2.10 1v9pA1 LEU 126 HG -0.04 0.07 -0.07 -0.04 1.64 1.56 1v9pA1 LEU 126 HD13 0.06 0.03 -0.27 -0.04 0.93 0.71 1v9pA1 LEU 126 HD23 0.01 0.01 -0.14 -0.04 0.89 0.73 1v9pA1 TYR 127 H -0.28 0.32 0.16 -0.55 8.29 7.94 1v9pA1 TYR 127 HA 0.09 0.16 0.84 -0.75 4.56 4.90 1v9pA1 TYR 127 HB2 -0.01 -0.04 0.05 -0.04 3.06 3.02 1v9pA1 TYR 127 HB3 -0.00 -0.05 0.15 -0.04 2.98 3.03 1v9pA1 TYR 127 HD2 0.28 0.01 -0.04 -0.04 7.15 7.37 1v9pA1 TYR 127 HE2 0.08 -0.03 -0.07 -0.04 6.85 6.78 1v9pA1 TYR 128 H 0.04 0.73 0.44 -0.55 8.29 8.96 1v9pA1 TYR 128 HA -0.26 0.19 1.07 -0.75 4.56 4.81 1v9pA1 TYR 128 HB2 -0.05 -0.10 0.02 -0.04 3.06 2.89 1v9pA1 TYR 128 HB3 -0.09 0.01 -0.35 -0.04 2.98 2.52 1v9pA1 TYR 128 HD2 -0.05 0.27 -0.32 -0.04 7.15 7.00 1v9pA1 TYR 128 HE2 -0.09 0.02 -0.23 -0.04 6.85 6.50 1v9pA1 GLU 129 H -0.19 0.68 0.23 -0.55 8.60 8.78 1v9pA1 GLU 129 HA -0.13 0.34 1.10 -0.75 4.29 4.85 1v9pA1 GLU 129 HB2 -0.19 0.04 0.10 -0.04 2.09 2.00 1v9pA1 GLU 129 HB3 -0.09 -0.03 -0.01 -0.04 1.99 1.82 1v9pA1 GLU 129 HG2 -0.01 0.02 0.07 -0.04 2.34 2.37 1v9pA1 GLU 129 HG3 -0.45 -0.03 -0.14 -0.04 2.34 1.68 1v9pA1 GLU 130 H -0.01 0.76 0.34 -0.55 8.60 9.14 1v9pA1 GLU 130 HA 0.00 -0.01 0.34 -0.75 4.29 3.86 1v9pA1 GLU 130 HB2 -0.02 0.06 0.08 -0.04 2.09 2.16 1v9pA1 GLU 130 HB3 -0.01 -0.03 0.17 -0.04 1.99 2.08 1v9pA1 GLU 130 HG2 -0.04 -0.00 -0.41 -0.04 2.34 1.84 1v9pA1 GLU 130 HG3 -0.03 -0.04 -0.04 -0.04 2.34 2.19 1v9pA1 GLY 131 H 0.02 0.03 -1.35 -0.55 8.43 6.58 1v9pA1 GLY 131 HA2 0.04 -0.05 0.08 -0.51 4.01 3.57 1v9pA1 GLY 131 HA3 0.01 0.20 0.71 -0.51 4.01 4.42 1v9pA1 VAL 132 H -0.00 0.28 -0.16 -0.55 8.24 7.81 1v9pA1 VAL 132 HA 0.00 0.17 0.50 -0.75 4.13 4.05 1v9pA1 VAL 132 HB -0.06 -0.04 0.02 -0.04 2.12 2.01 1v9pA1 VAL 132 HG13 -0.05 0.02 -0.27 -0.04 0.97 0.63 1v9pA1 VAL 132 HG23 -0.02 -0.01 -0.00 -0.04 0.95 0.88 1v9pA1 LEU 133 H -0.11 0.29 0.25 -0.55 8.37 8.25 1v9pA1 LEU 133 HA -0.80 0.08 0.63 -0.75 4.35 3.51 1v9pA1 LEU 133 HB2 -0.50 0.12 0.12 -0.04 1.64 1.34 1v9pA1 LEU 133 HB3 -0.21 -0.06 0.21 -0.04 1.64 1.55 1v9pA1 LEU 133 HG -0.23 -0.07 -0.44 -0.04 1.64 0.87 1v9pA1 LEU 133 HD13 -0.73 0.04 -0.12 -0.04 0.93 0.08 1v9pA1 LEU 133 HD23 -0.14 0.02 -0.13 -0.04 0.89 0.59 1v9pA1 VAL 134 H -0.29 0.37 0.40 -0.55 8.24 8.17 1v9pA1 VAL 134 HA -0.03 0.08 0.56 -0.75 4.13 3.98 1v9pA1 VAL 134 HB 0.10 0.01 0.10 -0.04 2.12 2.28 1v9pA1 VAL 134 HG13 0.23 -0.01 -0.17 -0.04 0.97 0.97 1v9pA1 VAL 134 HG23 -0.13 -0.02 -0.01 -0.04 0.95 0.76 1v9pA1 PHE 135 H 0.20 0.32 0.24 -0.55 8.34 8.55 1v9pA1 PHE 135 HA -0.03 0.17 0.48 -0.75 4.62 4.48 1v9pA1 PHE 135 HB2 0.03 -0.09 0.13 -0.04 3.15 3.17 1v9pA1 PHE 135 HB3 0.03 0.09 -0.22 -0.04 3.06 2.92 1v9pA1 PHE 135 HD2 0.15 -0.04 -0.12 -0.04 7.28 7.23 1v9pA1 PHE 135 HE2 -0.00 0.02 -0.13 -0.04 7.38 7.22 1v9pA1 PHE 135 HZ -0.03 0.06 -0.13 -0.04 7.32 7.18 1v9pA1 GLY 136 H 0.08 0.14 0.13 -0.55 8.43 8.24 1v9pA1 GLY 136 HA2 -0.36 0.23 0.91 -0.51 4.01 4.29 1v9pA1 GLY 136 HA3 -0.10 0.07 0.33 -0.51 4.01 3.80 1v9pA1 ALA 137 H -0.20 0.35 0.21 -0.55 8.40 8.21 1v9pA1 ALA 137 HA 0.08 0.21 1.13 -0.75 4.34 5.00 1v9pA1 ALA 137 HB3 0.21 -0.03 -0.22 -0.04 1.41 1.33 1v9pA1 THR 138 H 0.08 0.56 0.17 -0.55 8.28 8.53 1v9pA1 THR 138 HA 0.04 0.21 0.63 -0.75 4.39 4.52 1v9pA1 THR 138 HB 0.01 -0.06 0.16 -0.04 4.32 4.39 1v9pA1 THR 138 HG23 -0.02 0.06 -0.04 -0.04 1.22 1.18 1v9pA1 ARG 139 H 0.03 0.36 0.15 -0.55 8.46 8.46 1v9pA1 ARG 139 HA 0.01 0.09 0.20 -0.75 4.34 3.89 1v9pA1 ARG 139 HB2 0.00 0.05 0.01 -0.04 1.90 1.92 1v9pA1 ARG 139 HB3 0.02 0.00 0.03 -0.04 1.80 1.81 1v9pA1 ARG 139 HG2 -0.03 -0.04 -0.10 -0.04 1.67 1.46 1v9pA1 ARG 139 HG3 -0.00 0.01 -0.10 -0.04 1.67 1.53 1v9pA1 ARG 139 HD2 0.01 -0.03 -0.12 -0.04 3.22 3.04 1v9pA1 ARG 139 HD3 0.02 0.08 -0.48 -0.04 3.22 2.80 1v9pA1 GLY 140 H 0.05 0.03 -0.16 -0.55 8.43 7.80 1v9pA1 GLY 140 HA2 0.04 -0.00 0.34 -0.51 4.01 3.87 1v9pA1 GLY 140 HA3 0.07 0.23 0.51 -0.51 4.01 4.31 1v9pA1 ASP 141 H 0.05 0.32 0.30 -0.55 8.40 8.52 1v9pA1 ASP 141 HA 0.02 0.26 0.95 -0.75 4.63 5.10 1v9pA1 ASP 141 HB2 0.01 0.02 0.21 -0.04 2.71 2.91 1v9pA1 ASP 141 HB3 0.02 0.01 0.06 -0.04 2.70 2.74 1v9pA1 GLY 142 H 0.08 0.70 -0.17 -0.55 8.43 8.49 1v9pA1 GLY 142 HA2 -0.03 0.06 0.34 -0.51 4.01 3.87 1v9pA1 GLY 142 HA3 -0.05 0.23 0.91 -0.51 4.01 4.59 1v9pA1 GLU 143 H 0.04 -0.06 -0.31 -0.55 8.60 7.72 1v9pA1 GLU 143 HA 0.11 0.23 1.02 -0.75 4.29 4.90 1v9pA1 GLU 143 HB2 -0.01 -0.03 0.04 -0.04 2.09 2.05 1v9pA1 GLU 143 HB3 -0.01 0.00 -0.02 -0.04 1.99 1.92 1v9pA1 GLU 143 HG2 -0.05 0.04 -0.00 -0.04 2.34 2.28 1v9pA1 GLU 143 HG3 -0.08 0.02 -0.31 -0.04 2.34 1.94 1v9pA1 VAL 144 H 0.02 0.02 0.13 -0.55 8.24 7.86 1v9pA1 VAL 144 HA -0.22 0.42 0.84 -0.75 4.13 4.41 1v9pA1 VAL 144 HB -0.02 -0.05 0.01 -0.04 2.12 2.02 1v9pA1 VAL 144 HG13 -0.05 -0.03 -0.37 -0.04 0.97 0.49 1v9pA1 VAL 144 HG23 -0.04 -0.00 -0.20 -0.04 0.95 0.67 1v9pA1 GLY 145 H -0.23 0.78 0.22 -0.55 8.43 8.65 1v9pA1 GLY 145 HA2 0.04 0.01 0.77 -0.51 4.01 4.33 1v9pA1 GLY 145 HA3 0.11 0.43 0.04 -0.51 4.01 4.08 1v9pA1 GLU 146 H 0.04 0.03 0.07 -0.55 8.60 8.19 1v9pA1 GLU 146 HA 0.08 0.25 0.26 -0.75 4.29 4.12 1v9pA1 GLU 146 HB2 -0.02 -0.06 -0.00 -0.04 2.09 1.97 1v9pA1 GLU 146 HB3 0.06 0.12 -0.04 -0.04 1.99 2.09 1v9pA1 GLU 146 HG2 0.03 -0.10 -0.06 -0.04 2.34 2.17 1v9pA1 GLU 146 HG3 -0.01 -0.08 0.04 -0.04 2.34 2.25 1v9pA1 GLU 147 H 0.14 0.40 0.13 -0.55 8.60 8.72 1v9pA1 GLU 147 HA 0.21 0.01 0.58 -0.75 4.29 4.34 1v9pA1 GLU 147 HB2 0.14 0.08 0.12 -0.04 2.09 2.39 1v9pA1 GLU 147 HB3 0.15 0.39 0.32 -0.04 1.99 2.81 1v9pA1 GLU 147 HG2 0.29 -0.09 0.06 -0.04 2.34 2.56 1v9pA1 GLU 147 HG3 0.11 -0.00 0.03 -0.04 2.34 2.44 1v9pA1 VAL 148 H 0.12 0.54 0.32 -0.55 8.24 8.67 1v9pA1 VAL 148 HA 0.18 0.10 0.56 -0.75 4.13 4.22 1v9pA1 VAL 148 HB 0.01 0.03 -0.43 -0.04 2.12 1.69 1v9pA1 VAL 148 HG13 0.02 -0.00 -0.16 -0.04 0.97 0.79 1v9pA1 VAL 148 HG23 0.03 -0.02 0.10 -0.04 0.95 1.02 1v9pA1 THR 149 H 0.12 0.08 0.14 -0.55 8.28 8.07 1v9pA1 THR 149 HA 0.03 0.09 0.33 -0.75 4.39 4.09 1v9pA1 THR 149 HB 0.07 0.02 0.09 -0.04 4.32 4.46 1v9pA1 THR 149 HG23 0.01 0.06 -0.19 -0.04 1.22 1.06 1v9pA1 GLN 150 H 0.07 0.06 -0.19 -0.55 8.47 7.87 1v9pA1 GLN 150 HA 0.02 0.08 0.31 -0.75 4.36 4.03 1v9pA1 GLN 150 HB2 0.08 -0.10 -0.00 -0.04 2.15 2.09 1v9pA1 GLN 150 HB3 0.07 0.05 -0.04 -0.04 2.02 2.05 1v9pA1 GLN 150 HG2 0.06 -0.08 -0.09 -0.04 2.40 2.25 1v9pA1 GLN 150 HG3 0.05 0.41 -0.12 -0.04 2.39 2.70 1v9pA1 GLN 150 HE21 0.14 -0.10 -0.06 -0.04 6.97 6.90 1v9pA1 GLN 150 HE22 0.08 0.30 0.03 -0.04 7.69 8.06 1v9pA1 ASN 151 H 0.07 0.12 -0.12 -0.55 8.53 8.06 1v9pA1 ASN 151 HA 0.02 0.01 0.40 -0.75 4.76 4.44 1v9pA1 ASN 151 HB2 0.04 0.11 0.14 -0.04 2.88 3.13 1v9pA1 ASN 151 HB3 0.02 -0.02 0.15 -0.04 2.79 2.89 1v9pA1 ASN 151 HD21 0.12 0.07 -0.01 -0.04 7.03 7.17 1v9pA1 ASN 151 HD22 0.04 -0.06 0.08 -0.04 7.74 7.76 1v9pA1 LEU 152 H 0.01 0.35 -0.46 -0.55 8.37 7.72 1v9pA1 LEU 152 HA -0.00 0.00 0.37 -0.75 4.35 3.96 1v9pA1 LEU 152 HB2 -0.01 0.13 -0.03 -0.04 1.64 1.70 1v9pA1 LEU 152 HB3 0.03 -0.05 0.02 -0.04 1.64 1.60 1v9pA1 LEU 152 HG 0.02 0.20 -0.21 -0.04 1.64 1.61 1v9pA1 LEU 152 HD13 0.02 -0.04 -0.18 -0.04 0.93 0.69 1v9pA1 LEU 152 HD23 0.03 -0.03 -0.20 -0.04 0.89 0.64 1v9pA1 LEU 153 H -0.08 0.77 -0.34 -0.55 8.37 8.17 1v9pA1 LEU 153 HA -0.17 0.18 0.67 -0.75 4.35 4.28 1v9pA1 LEU 153 HB2 -0.18 0.27 0.14 -0.04 1.64 1.83 1v9pA1 LEU 153 HB3 -0.51 -0.10 -0.04 -0.04 1.64 0.95 1v9pA1 LEU 153 HG -0.06 -0.11 -0.12 -0.04 1.64 1.31 1v9pA1 LEU 153 HD13 -0.12 0.00 -0.08 -0.04 0.93 0.69 1v9pA1 LEU 153 HD23 -0.04 -0.05 -0.17 -0.04 0.89 0.59 1v9pA1 THR 154 H -0.12 0.30 -0.20 -0.55 8.28 7.71 1v9pA1 THR 154 HA -0.16 0.03 0.38 -0.75 4.39 3.88 1v9pA1 THR 154 HB 0.05 -0.01 -0.04 -0.04 4.32 4.28 1v9pA1 THR 154 HG23 0.08 0.02 -0.02 -0.04 1.22 1.26 1v9pA1 ILE 155 H -0.08 0.17 -0.78 -0.55 8.25 7.02 1v9pA1 ILE 155 HA -0.01 0.26 0.80 -0.75 4.18 4.46 1v9pA1 ILE 155 HB -0.00 0.04 0.11 -0.04 1.89 2.00 1v9pA1 ILE 155 HG12 -0.04 0.20 -0.21 -0.04 1.49 1.41 1v9pA1 ILE 155 HG13 -0.03 0.06 -0.14 -0.04 1.21 1.06 1v9pA1 ILE 155 HG23 -0.03 -0.03 -0.00 -0.04 0.93 0.82 1v9pA1 ILE 155 HD13 -0.05 -0.06 -0.26 -0.04 0.88 0.47 1v9pA1 PRO 156 HA 0.01 0.14 0.32 -0.51 4.44 4.40 1v9pA1 PRO 156 HB2 0.03 -0.04 -0.02 -0.04 2.28 2.22 1v9pA1 PRO 156 HB3 0.08 0.02 0.08 -0.04 2.02 2.16 1v9pA1 PRO 156 HG2 0.02 -0.06 0.06 -0.04 2.03 2.01 1v9pA1 PRO 156 HG3 0.04 0.02 0.08 -0.04 2.03 2.13 1v9pA1 PRO 156 HD2 0.01 0.13 0.32 -0.04 3.68 4.10 1v9pA1 PRO 156 HD3 0.06 0.29 0.10 -0.04 3.65 4.06 1v9pA1 THR 157 H 0.01 0.01 -0.43 -0.55 8.28 7.32 1v9pA1 THR 157 HA 0.01 0.09 0.48 -0.75 4.39 4.22 1v9pA1 THR 157 HB 0.05 -0.01 0.06 -0.04 4.32 4.37 1v9pA1 THR 157 HG23 0.02 -0.02 0.02 -0.04 1.22 1.19 1v9pA1 ILE 158 H 0.04 0.24 -0.10 -0.55 8.25 7.88 1v9pA1 ILE 158 HA 0.15 -0.02 0.42 -0.75 4.18 3.97 1v9pA1 ILE 158 HB 0.02 0.18 0.13 -0.04 1.89 2.19 1v9pA1 ILE 158 HG12 0.29 -0.12 -0.02 -0.04 1.49 1.60 1v9pA1 ILE 158 HG13 0.08 -0.02 0.10 -0.04 1.21 1.33 1v9pA1 ILE 158 HG23 0.13 -0.01 -0.13 -0.04 0.93 0.88 1v9pA1 ILE 158 HD13 0.11 0.07 0.02 -0.04 0.88 1.05 1v9pA1 PRO 159 HA -0.15 0.04 0.45 -0.51 4.44 4.26 1v9pA1 PRO 159 HB2 -0.38 -0.07 -0.13 -0.04 2.28 1.66 1v9pA1 PRO 159 HB3 -0.33 0.18 0.06 -0.04 2.02 1.89 1v9pA1 PRO 159 HG2 -0.78 -0.08 -0.18 -0.04 2.03 0.95 1v9pA1 PRO 159 HG3 -1.41 -0.06 -0.42 -0.04 2.03 0.09 1v9pA1 PRO 159 HD2 -0.08 -0.08 0.12 -0.04 3.68 3.61 1v9pA1 PRO 159 HD3 -0.15 0.39 0.29 -0.04 3.65 4.14 1v9pA1 ARG 160 H -0.14 0.04 0.16 -0.55 8.46 7.97 1v9pA1 ARG 160 HA -0.03 0.24 0.89 -0.75 4.34 4.68 1v9pA1 ARG 160 HB2 -0.18 -0.03 0.09 -0.04 1.90 1.74 1v9pA1 ARG 160 HB3 -0.12 -0.10 0.03 -0.04 1.80 1.57 1v9pA1 ARG 160 HG2 -0.11 0.03 -0.07 -0.04 1.67 1.48 1v9pA1 ARG 160 HG3 -0.15 0.17 -0.15 -0.04 1.67 1.51 1v9pA1 ARG 160 HD2 -0.13 -0.10 -0.04 -0.04 3.22 2.91 1v9pA1 ARG 160 HD3 -0.13 0.06 -0.05 -0.04 3.22 3.05 1v9pA1 ARG 161 H -0.11 0.10 0.08 -0.55 8.46 7.97 1v9pA1 ARG 161 HA -0.01 0.19 0.86 -0.75 4.34 4.62 1v9pA1 ARG 161 HB2 -0.08 -0.03 0.13 -0.04 1.90 1.88 1v9pA1 ARG 161 HB3 -0.05 0.08 -0.01 -0.04 1.80 1.77 1v9pA1 ARG 161 HG2 -0.05 0.02 -0.41 -0.04 1.67 1.18 1v9pA1 ARG 161 HG3 -0.05 -0.03 -0.06 -0.04 1.67 1.48 1v9pA1 ARG 161 HD2 -0.02 0.02 -0.03 -0.04 3.22 3.15 1v9pA1 ARG 161 HD3 -0.02 0.02 -0.05 -0.04 3.22 3.13 1v9pA1 LEU 162 H -0.03 0.26 0.00 -0.55 8.37 8.05 1v9pA1 LEU 162 HA -0.23 0.30 0.63 -0.75 4.35 4.30 1v9pA1 LEU 162 HB2 -0.09 -0.05 -0.02 -0.04 1.64 1.44 1v9pA1 LEU 162 HB3 -0.15 -0.15 0.04 -0.04 1.64 1.34 1v9pA1 LEU 162 HG -0.49 0.07 -0.13 -0.04 1.64 1.06 1v9pA1 LEU 162 HD13 -0.40 0.07 -0.39 -0.04 0.93 0.16 1v9pA1 LEU 162 HD23 -0.24 -0.02 -0.15 -0.04 0.89 0.44 1v9pA1 LYS 163 H -0.12 0.24 0.04 -0.55 8.42 8.02 1v9pA1 LYS 163 HA -0.02 0.02 0.54 -0.75 4.32 4.10 1v9pA1 LYS 163 HB2 -0.08 0.06 -0.26 -0.04 1.87 1.56 1v9pA1 LYS 163 HB3 -0.04 -0.02 -0.07 -0.04 1.79 1.62 1v9pA1 LYS 163 HG2 -0.04 0.25 0.07 -0.04 1.46 1.71 1v9pA1 LYS 163 HG3 -0.03 -0.03 -0.04 -0.04 1.46 1.31 1v9pA1 LYS 163 HD2 -0.01 -0.03 -0.03 -0.04 1.69 1.58 1v9pA1 LYS 163 HD3 -0.01 -0.09 0.12 -0.04 1.68 1.65 1v9pA1 LYS 163 HE2 -0.01 0.05 0.03 -0.04 2.99 3.02 1v9pA1 LYS 163 HE3 -0.01 -0.01 0.00 -0.04 2.99 2.93 1v9pA1 GLY 164 H 0.02 0.16 0.09 -0.55 8.43 8.16 1v9pA1 GLY 164 HA2 0.05 -0.00 0.28 -0.51 4.01 3.84 1v9pA1 GLY 164 HA3 0.07 0.15 0.63 -0.51 4.01 4.35 1v9pA1 VAL 165 H 0.07 -0.02 -0.19 -0.55 8.24 7.56 1v9pA1 VAL 165 HA 0.32 0.23 0.68 -0.75 4.13 4.60 1v9pA1 VAL 165 HB 0.24 0.06 -0.07 -0.04 2.12 2.31 1v9pA1 VAL 165 HG13 0.13 -0.00 -0.24 -0.04 0.97 0.81 1v9pA1 VAL 165 HG23 0.04 0.00 -0.35 -0.04 0.95 0.61 1v9pA1 PRO 166 HA 0.04 0.01 0.37 -0.51 4.44 4.35 1v9pA1 PRO 166 HB2 0.04 0.22 -0.04 -0.04 2.28 2.46 1v9pA1 PRO 166 HB3 0.01 -0.01 0.07 -0.04 2.02 2.04 1v9pA1 PRO 166 HG2 -0.06 0.10 0.01 -0.04 2.03 2.05 1v9pA1 PRO 166 HG3 -0.03 0.06 -0.24 -0.04 2.03 1.79 1v9pA1 PRO 166 HD2 0.16 0.09 0.07 -0.04 3.68 3.96 1v9pA1 PRO 166 HD3 0.14 0.19 0.10 -0.04 3.65 4.04 1v9pA1 ASP 167 H 0.03 0.12 0.13 -0.55 8.40 8.13 1v9pA1 ASP 167 HA 0.03 0.01 0.34 -0.75 4.63 4.25 1v9pA1 ASP 167 HB2 0.03 0.00 0.08 -0.04 2.71 2.78 1v9pA1 ASP 167 HB3 0.03 -0.02 0.09 -0.04 2.70 2.75 1v9pA1 ARG 168 H 0.06 0.08 -0.47 -0.55 8.46 7.57 1v9pA1 ARG 168 HA 0.08 0.27 0.99 -0.75 4.34 4.92 1v9pA1 ARG 168 HB2 0.11 -0.07 0.04 -0.04 1.90 1.94 1v9pA1 ARG 168 HB3 0.26 0.02 -0.03 -0.04 1.80 2.01 1v9pA1 ARG 168 HG2 0.14 0.10 -0.08 -0.04 1.67 1.78 1v9pA1 ARG 168 HG3 0.09 -0.10 -0.19 -0.04 1.67 1.43 1v9pA1 ARG 168 HD2 0.11 -0.01 -0.04 -0.04 3.22 3.24 1v9pA1 ARG 168 HD3 0.10 -0.03 -0.04 -0.04 3.22 3.21 1v9pA1 LEU 169 H 0.08 0.71 0.29 -0.55 8.37 8.90 1v9pA1 LEU 169 HA 0.10 0.43 1.01 -0.75 4.35 5.13 1v9pA1 LEU 169 HB2 0.09 0.07 -0.18 -0.04 1.64 1.58 1v9pA1 LEU 169 HB3 0.07 -0.00 0.03 -0.04 1.64 1.69 1v9pA1 LEU 169 HG -0.03 -0.03 -0.26 -0.04 1.64 1.27 1v9pA1 LEU 169 HD13 0.08 -0.03 -0.05 -0.04 0.93 0.89 1v9pA1 LEU 169 HD23 0.13 -0.00 -0.13 -0.04 0.89 0.85 1v9pA1 GLU 170 H 0.09 0.39 -0.01 -0.55 8.60 8.51 1v9pA1 GLU 170 HA 0.19 0.29 0.86 -0.75 4.29 4.87 1v9pA1 GLU 170 HB2 0.18 0.02 -0.04 -0.04 2.09 2.21 1v9pA1 GLU 170 HB3 0.08 -0.31 0.20 -0.04 1.99 1.92 1v9pA1 GLU 170 HG2 0.04 0.07 -0.21 -0.04 2.34 2.20 1v9pA1 GLU 170 HG3 0.10 0.08 -0.09 -0.04 2.34 2.39 1v9pA1 VAL 171 H -0.02 0.50 0.05 -0.55 8.24 8.22 1v9pA1 VAL 171 HA -0.14 0.10 0.88 -0.75 4.13 4.22 1v9pA1 VAL 171 HB -0.69 0.03 -0.01 -0.04 2.12 1.42 1v9pA1 VAL 171 HG13 -0.48 0.00 -0.12 -0.04 0.97 0.32 1v9pA1 VAL 171 HG23 -0.84 0.04 -0.14 -0.04 0.95 -0.03 1v9pA1 ARG 172 H -0.11 0.82 0.27 -0.55 8.46 8.90 1v9pA1 ARG 172 HA -0.02 0.30 1.03 -0.75 4.34 4.90 1v9pA1 ARG 172 HB2 0.02 -0.09 -0.06 -0.04 1.90 1.73 1v9pA1 ARG 172 HB3 -0.01 0.04 -0.02 -0.04 1.80 1.76 1v9pA1 ARG 172 HG2 -0.01 -0.01 -0.17 -0.04 1.67 1.44 1v9pA1 ARG 172 HG3 -0.04 0.04 -0.21 -0.04 1.67 1.42 1v9pA1 ARG 172 HD2 -0.00 0.02 -0.71 -0.04 3.22 2.49 1v9pA1 ARG 172 HD3 0.05 0.04 -0.49 -0.04 3.22 2.78 1v9pA1 GLY 173 H 0.01 0.47 0.23 -0.55 8.43 8.60 1v9pA1 GLY 173 HA2 -1.49 -0.10 0.61 -0.51 4.01 2.52 1v9pA1 GLY 173 HA3 -0.48 0.18 0.64 -0.51 4.01 3.83 1v9pA1 GLU 174 H -0.58 0.97 0.45 -0.55 8.60 8.89 1v9pA1 GLU 174 HA -0.10 0.22 0.83 -0.75 4.29 4.49 1v9pA1 GLU 174 HB2 -0.10 -0.08 -0.13 -0.04 2.09 1.74 1v9pA1 GLU 174 HB3 -0.05 -0.04 -0.19 -0.04 1.99 1.67 1v9pA1 GLU 174 HG2 0.02 0.09 -0.24 -0.04 2.34 2.18 1v9pA1 GLU 174 HG3 0.17 -0.06 -0.37 -0.04 2.34 2.04 1v9pA1 VAL 175 H -0.04 0.54 0.27 -0.55 8.24 8.47 1v9pA1 VAL 175 HA -0.07 0.22 1.07 -0.75 4.13 4.59 1v9pA1 VAL 175 HB -0.03 -0.02 0.05 -0.04 2.12 2.08 1v9pA1 VAL 175 HG13 -0.06 0.00 -0.22 -0.04 0.97 0.65 1v9pA1 VAL 175 HG23 -0.04 0.01 -0.18 -0.04 0.95 0.71 1v9pA1 TYR 176 H -0.20 1.16 0.40 -0.55 8.29 9.10 1v9pA1 TYR 176 HA -0.07 0.16 0.91 -0.75 4.56 4.80 1v9pA1 TYR 176 HB2 -0.07 0.06 -0.02 -0.04 3.06 2.99 1v9pA1 TYR 176 HB3 -0.12 -0.08 -0.38 -0.04 2.98 2.35 1v9pA1 TYR 176 HD2 -0.11 -0.00 -0.40 -0.04 7.15 6.59 1v9pA1 TYR 176 HE2 -0.09 0.00 -0.37 -0.04 6.85 6.35 1v9pA1 MET 177 H 0.12 0.27 0.17 -0.55 8.47 8.49 1v9pA1 MET 177 HA -0.11 0.22 0.88 -0.75 4.52 4.75 1v9pA1 MET 177 HB2 0.00 0.07 -0.09 -0.04 2.15 2.10 1v9pA1 MET 177 HB3 0.10 -0.03 0.08 -0.04 2.03 2.14 1v9pA1 MET 177 HG2 0.16 -0.09 -0.16 -0.04 2.63 2.50 1v9pA1 MET 177 HG3 0.04 -0.00 0.03 -0.04 2.56 2.58 1v9pA1 MET 177 HE3 0.02 0.02 -0.00 -0.04 2.10 2.09 1v9pA1 PRO 178 HA 0.28 0.14 0.66 -0.51 4.44 5.01 1v9pA1 PRO 178 HB2 0.09 -0.19 0.13 -0.04 2.28 2.26 1v9pA1 PRO 178 HB3 0.16 0.27 0.21 -0.04 2.02 2.62 1v9pA1 PRO 178 HG2 0.00 0.13 0.02 -0.04 2.03 2.15 1v9pA1 PRO 178 HG3 0.20 0.06 -0.05 -0.04 2.03 2.19 1v9pA1 PRO 178 HD2 -0.04 0.07 0.12 -0.04 3.68 3.79 1v9pA1 PRO 178 HD3 -0.31 0.29 0.02 -0.04 3.65 3.61 1v9pA1 ILE 179 H 0.14 0.31 0.13 -0.55 8.25 8.28 1v9pA1 ILE 179 HA 0.20 -0.01 0.30 -0.75 4.18 3.92 1v9pA1 ILE 179 HB 0.06 0.06 0.01 -0.04 1.89 1.97 1v9pA1 ILE 179 HG12 -0.02 -0.08 0.10 -0.04 1.49 1.46 1v9pA1 ILE 179 HG13 0.06 -0.09 0.02 -0.04 1.21 1.15 1v9pA1 ILE 179 HG23 0.08 0.02 -0.09 -0.04 0.93 0.90 1v9pA1 ILE 179 HD13 -0.05 0.07 -0.08 -0.04 0.88 0.77 1v9pA1 GLU 180 H 0.09 0.14 -0.27 -0.55 8.60 8.02 1v9pA1 GLU 180 HA 0.07 0.08 0.33 -0.75 4.29 4.01 1v9pA1 GLU 180 HB2 0.06 0.02 0.09 -0.04 2.09 2.21 1v9pA1 GLU 180 HB3 0.05 0.02 0.04 -0.04 1.99 2.06 1v9pA1 GLU 180 HG2 0.04 0.01 -0.02 -0.04 2.34 2.32 1v9pA1 GLU 180 HG3 0.04 0.01 0.02 -0.04 2.34 2.36 1v9pA1 ALA 181 H 0.08 0.12 -0.13 -0.55 8.40 7.93 1v9pA1 ALA 181 HA 0.05 0.06 0.40 -0.75 4.34 4.09 1v9pA1 ALA 181 HB3 0.06 0.01 0.14 -0.04 1.41 1.58 1v9pA1 PHE 182 H 0.23 0.71 -0.14 -0.55 8.34 8.59 1v9pA1 PHE 182 HA 0.06 -0.04 0.24 -0.75 4.62 4.12 1v9pA1 PHE 182 HB2 0.05 0.02 -0.12 -0.04 3.15 3.07 1v9pA1 PHE 182 HB3 0.05 0.06 -0.00 -0.04 3.06 3.13 1v9pA1 PHE 182 HD2 0.04 0.05 -0.19 -0.04 7.28 7.14 1v9pA1 PHE 182 HE2 0.10 -0.01 -0.34 -0.04 7.38 7.09 1v9pA1 PHE 182 HZ 0.13 0.11 -0.40 -0.04 7.32 7.13 1v9pA1 LEU 183 H 0.20 0.83 -0.29 -0.55 8.37 8.56 1v9pA1 LEU 183 HA -0.17 -0.05 0.40 -0.75 4.35 3.78 1v9pA1 LEU 183 HB2 0.08 0.25 0.18 -0.04 1.64 2.11 1v9pA1 LEU 183 HB3 0.03 -0.08 -0.01 -0.04 1.64 1.54 1v9pA1 LEU 183 HG 0.29 -0.02 0.01 -0.04 1.64 1.88 1v9pA1 LEU 183 HD13 0.07 -0.02 -0.11 -0.04 0.93 0.83 1v9pA1 LEU 183 HD23 0.11 -0.02 -0.03 -0.04 0.89 0.91 1v9pA1 ARG 184 H 0.02 0.64 0.06 -0.55 8.46 8.62 1v9pA1 ARG 184 HA -0.00 -0.01 0.54 -0.75 4.34 4.11 1v9pA1 ARG 184 HB2 0.02 0.11 0.15 -0.04 1.90 2.14 1v9pA1 ARG 184 HB3 0.02 -0.01 0.21 -0.04 1.80 1.98 1v9pA1 ARG 184 HG2 0.01 -0.08 0.03 -0.04 1.67 1.59 1v9pA1 ARG 184 HG3 0.02 -0.02 0.03 -0.04 1.67 1.66 1v9pA1 ARG 184 HD2 0.02 -0.00 -0.01 -0.04 3.22 3.19 1v9pA1 ARG 184 HD3 0.02 -0.01 0.00 -0.04 3.22 3.20 1v9pA1 LEU 185 H -0.02 0.80 0.07 -0.55 8.37 8.67 1v9pA1 LEU 185 HA 0.01 0.01 0.35 -0.75 4.35 3.96 1v9pA1 LEU 185 HB2 0.05 -0.02 0.07 -0.04 1.64 1.69 1v9pA1 LEU 185 HB3 -0.00 0.13 0.07 -0.04 1.64 1.80 1v9pA1 LEU 185 HG 0.14 -0.04 -0.27 -0.04 1.64 1.43 1v9pA1 LEU 185 HD13 0.08 -0.01 0.03 -0.04 0.93 0.99 1v9pA1 LEU 185 HD23 0.26 -0.02 -0.01 -0.04 0.89 1.07 1v9pA1 ASN 186 H -0.18 0.44 -0.44 -0.55 8.53 7.80 1v9pA1 ASN 186 HA -0.13 -0.05 0.48 -0.75 4.76 4.31 1v9pA1 ASN 186 HB2 -0.53 0.29 0.16 -0.04 2.88 2.76 1v9pA1 ASN 186 HB3 -0.17 0.07 0.00 -0.04 2.79 2.65 1v9pA1 ASN 186 HD21 -0.01 0.07 -0.03 -0.04 7.03 7.02 1v9pA1 ASN 186 HD22 -0.01 0.03 -0.03 -0.04 7.74 7.69 1v9pA1 GLU 187 H -0.05 0.50 -0.22 -0.55 8.60 8.28 1v9pA1 GLU 187 HA 0.00 0.02 0.57 -0.75 4.29 4.12 1v9pA1 GLU 187 HB2 -0.01 0.20 0.33 -0.04 2.09 2.57 1v9pA1 GLU 187 HB3 0.01 -0.07 0.03 -0.04 1.99 1.91 1v9pA1 GLU 187 HG2 0.01 -0.08 0.06 -0.04 2.34 2.29 1v9pA1 GLU 187 HG3 -0.00 0.03 0.06 -0.04 2.34 2.39 1v9pA1 GLU 188 H -0.01 0.60 0.03 -0.55 8.60 8.67 1v9pA1 GLU 188 HA 0.00 0.00 0.37 -0.75 4.29 3.92 1v9pA1 GLU 188 HB2 -0.00 0.10 0.08 -0.04 2.09 2.23 1v9pA1 GLU 188 HB3 0.00 -0.03 0.02 -0.04 1.99 1.94 1v9pA1 GLU 188 HG2 0.01 -0.04 0.03 -0.04 2.34 2.30 1v9pA1 GLU 188 HG3 0.01 0.09 0.05 -0.04 2.34 2.44 1v9pA1 LEU 189 H -0.03 0.32 -0.53 -0.55 8.37 7.58 1v9pA1 LEU 189 HA -0.04 0.03 0.48 -0.75 4.35 4.07 1v9pA1 LEU 189 HB2 -0.10 0.08 0.06 -0.04 1.64 1.64 1v9pA1 LEU 189 HB3 -0.12 -0.04 -0.24 -0.04 1.64 1.20 1v9pA1 LEU 189 HG -0.05 0.15 0.03 -0.04 1.64 1.73 1v9pA1 LEU 189 HD13 -0.19 -0.01 -0.07 -0.04 0.93 0.61 1v9pA1 LEU 189 HD23 -0.08 -0.02 -0.06 -0.04 0.89 0.69 1v9pA1 GLU 190 H -0.01 0.46 -0.13 -0.55 8.60 8.37 1v9pA1 GLU 190 HA 0.03 0.03 0.32 -0.75 4.29 3.92 1v9pA1 GLU 190 HB2 0.05 0.09 0.15 -0.04 2.09 2.34 1v9pA1 GLU 190 HB3 0.10 -0.04 -0.04 -0.04 1.99 1.97 1v9pA1 GLU 190 HG2 0.12 -0.14 0.06 -0.04 2.34 2.35 1v9pA1 GLU 190 HG3 0.05 0.46 0.23 -0.04 2.34 3.04 1v9pA1 GLU 191 H 0.02 0.44 -0.21 -0.55 8.60 8.30 1v9pA1 GLU 191 HA 0.04 0.00 0.38 -0.75 4.29 3.96 1v9pA1 GLU 191 HB2 0.01 0.12 0.09 -0.04 2.09 2.26 1v9pA1 GLU 191 HB3 0.01 -0.02 -0.03 -0.04 1.99 1.91 1v9pA1 GLU 191 HG2 0.02 0.14 0.04 -0.04 2.34 2.50 1v9pA1 GLU 191 HG3 0.02 -0.02 -0.01 -0.04 2.34 2.29 1v9pA1 ARG 192 H 0.00 0.39 -0.19 -0.55 8.46 8.11 1v9pA1 ARG 192 HA -0.00 0.03 0.42 -0.75 4.34 4.03 1v9pA1 ARG 192 HB2 -0.01 0.03 0.14 -0.04 1.90 2.01 1v9pA1 ARG 192 HB3 -0.01 -0.07 0.07 -0.04 1.80 1.75 1v9pA1 ARG 192 HG2 -0.00 -0.05 0.04 -0.04 1.67 1.62 1v9pA1 ARG 192 HG3 -0.00 0.37 0.14 -0.04 1.67 2.13 1v9pA1 ARG 192 HD2 -0.00 -0.05 0.01 -0.04 3.22 3.14 1v9pA1 ARG 192 HD3 0.00 -0.02 0.01 -0.04 3.22 3.16 1v9pA1 GLY 193 H 0.01 0.36 -0.59 -0.55 8.43 7.66 1v9pA1 GLY 193 HA2 0.02 0.01 0.23 -0.51 4.01 3.76 1v9pA1 GLY 193 HA3 -0.01 0.02 0.67 -0.51 4.01 4.19 1v9pA1 GLU 194 H -0.02 0.33 -0.05 -0.55 8.60 8.32 1v9pA1 GLU 194 HA -0.03 0.08 0.51 -0.75 4.29 4.09 1v9pA1 GLU 194 HB2 -0.07 0.00 -0.05 -0.04 2.09 1.93 1v9pA1 GLU 194 HB3 -0.09 0.00 0.04 -0.04 1.99 1.90 1v9pA1 GLU 194 HG2 -0.03 -0.02 -0.17 -0.04 2.34 2.09 1v9pA1 GLU 194 HG3 -0.04 0.01 -0.03 -0.04 2.34 2.24 1v9pA1 LYS 195 H -0.07 0.13 0.10 -0.55 8.42 8.03 1v9pA1 LYS 195 HA -0.00 -0.03 0.57 -0.75 4.32 4.10 1v9pA1 LYS 195 HB2 -0.04 -0.03 0.03 -0.04 1.87 1.79 1v9pA1 LYS 195 HB3 -0.09 0.01 0.06 -0.04 1.79 1.73 1v9pA1 LYS 195 HG2 -0.04 0.24 -0.17 -0.04 1.46 1.45 1v9pA1 LYS 195 HG3 -0.01 -0.10 0.02 -0.04 1.46 1.33 1v9pA1 LYS 195 HD2 -0.11 -0.04 -0.04 -0.04 1.69 1.45 1v9pA1 LYS 195 HD3 -0.07 -0.01 -0.05 -0.04 1.68 1.51 1v9pA1 LYS 195 HE2 -0.09 0.05 -0.04 -0.04 2.99 2.87 1v9pA1 LYS 195 HE3 -0.44 -0.01 -0.02 -0.04 2.99 2.48 1v9pA1 VAL 196 H -0.11 0.06 0.11 -0.55 8.24 7.75 1v9pA1 VAL 196 HA -0.27 0.11 0.52 -0.75 4.13 3.73 1v9pA1 VAL 196 HB -0.18 0.04 0.08 -0.04 2.12 2.02 1v9pA1 VAL 196 HG13 -0.17 0.02 0.02 -0.04 0.97 0.79 1v9pA1 VAL 196 HG23 -0.74 -0.01 -0.10 -0.04 0.95 0.06 1v9pA1 PHE 197 H -0.10 0.12 0.10 -0.55 8.34 7.92 1v9pA1 PHE 197 HA 0.10 0.10 0.48 -0.75 4.62 4.54 1v9pA1 PHE 197 HB2 0.13 0.06 0.05 -0.04 3.15 3.35 1v9pA1 PHE 197 HB3 0.26 -0.16 0.08 -0.04 3.06 3.19 1v9pA1 PHE 197 HD2 0.03 0.00 -0.03 -0.04 7.28 7.24 1v9pA1 PHE 197 HE2 0.03 0.05 -0.07 -0.04 7.38 7.35 1v9pA1 PHE 197 HZ 0.03 0.02 -0.06 -0.04 7.32 7.27 1v9pA1 LYS 198 H 0.34 0.12 0.15 -0.55 8.42 8.48 1v9pA1 LYS 198 HA 0.38 0.26 0.73 -0.75 4.32 4.94 1v9pA1 LYS 198 HB2 0.20 -0.05 0.08 -0.04 1.87 2.06 1v9pA1 LYS 198 HB3 0.28 -0.00 0.15 -0.04 1.79 2.17 1v9pA1 LYS 198 HG2 0.39 0.06 -0.09 -0.04 1.46 1.79 1v9pA1 LYS 198 HG3 0.22 0.00 -0.01 -0.04 1.46 1.63 1v9pA1 LYS 198 HD2 0.09 -0.06 0.05 -0.04 1.69 1.73 1v9pA1 LYS 198 HD3 0.19 -0.01 0.05 -0.04 1.68 1.87 1v9pA1 LYS 198 HE2 0.06 0.31 0.10 -0.04 2.99 3.42 1v9pA1 LYS 198 HE3 0.24 -0.01 -0.02 -0.04 2.99 3.16 1v9pA1 ASN 199 H 0.42 0.09 -0.15 -0.55 8.53 8.35 1v9pA1 ASN 199 HA -0.24 0.10 0.33 -0.75 4.76 4.20 1v9pA1 ASN 199 HB2 -0.04 0.04 0.19 -0.04 2.88 3.02 1v9pA1 ASN 199 HB3 0.11 0.33 -0.04 -0.04 2.79 3.15 1v9pA1 ASN 199 HD21 0.06 0.02 -0.04 -0.04 7.03 7.03 1v9pA1 ASN 199 HD22 0.09 0.15 -0.20 -0.04 7.74 7.74 1v9pA1 PRO 200 HA -0.01 0.06 0.40 -0.51 4.44 4.37 1v9pA1 PRO 200 HB2 -0.09 0.13 0.13 -0.04 2.28 2.40 1v9pA1 PRO 200 HB3 -0.04 0.24 0.21 -0.04 2.02 2.39 1v9pA1 PRO 200 HG2 -0.34 0.04 0.16 -0.04 2.03 1.85 1v9pA1 PRO 200 HG3 -0.94 0.06 0.04 -0.04 2.03 1.14 1v9pA1 PRO 200 HD2 -0.29 0.14 0.26 -0.04 3.68 3.74 1v9pA1 PRO 200 HD3 -0.98 0.10 0.17 -0.04 3.65 2.90 1v9pA1 ARG 201 H -0.05 0.04 -0.37 -0.55 8.46 7.53 1v9pA1 ARG 201 HA -0.02 0.17 0.41 -0.75 4.34 4.15 1v9pA1 ARG 201 HB2 -0.02 0.01 -0.04 -0.04 1.90 1.82 1v9pA1 ARG 201 HB3 -0.01 -0.11 0.05 -0.04 1.80 1.68 1v9pA1 ARG 201 HG2 -0.02 -0.05 -0.20 -0.04 1.67 1.36 1v9pA1 ARG 201 HG3 -0.01 0.29 -0.13 -0.04 1.67 1.78 1v9pA1 ARG 201 HD2 -0.01 -0.03 -0.01 -0.04 3.22 3.13 1v9pA1 ARG 201 HD3 0.00 -0.06 -0.04 -0.04 3.22 3.09 1v9pA1 ASN 202 H -0.02 0.09 -0.04 -0.55 8.53 8.01 1v9pA1 ASN 202 HA -0.06 0.10 0.40 -0.75 4.76 4.44 1v9pA1 ASN 202 HB2 0.05 -0.05 0.18 -0.04 2.88 3.02 1v9pA1 ASN 202 HB3 0.07 0.06 0.04 -0.04 2.79 2.92 1v9pA1 ASN 202 HD21 0.07 0.07 0.01 -0.04 7.03 7.13 1v9pA1 ASN 202 HD22 0.14 -0.05 0.04 -0.04 7.74 7.82 1v9pA1 ALA 203 H -0.26 0.46 -0.05 -0.55 8.40 8.01 1v9pA1 ALA 203 HA -2.33 0.01 0.30 -0.75 4.34 1.57 1v9pA1 ALA 203 HB3 -0.01 -0.01 -0.01 -0.04 1.41 1.34 1v9pA1 ALA 204 H -0.16 0.29 -0.88 -0.55 8.40 7.10 1v9pA1 ALA 204 HA -0.08 0.04 0.54 -0.75 4.34 4.09 1v9pA1 ALA 204 HB3 -0.03 0.03 0.11 -0.04 1.41 1.48 1v9pA1 ALA 205 H -0.13 0.41 0.05 -0.55 8.40 8.18 1v9pA1 ALA 205 HA -0.06 0.03 0.37 -0.75 4.34 3.92 1v9pA1 ALA 205 HB3 -0.06 -0.00 0.14 -0.04 1.41 1.44 1v9pA1 GLY 206 H -0.14 0.42 -0.04 -0.55 8.43 8.12 1v9pA1 GLY 206 HA2 0.03 0.08 0.34 -0.51 4.01 3.95 1v9pA1 GLY 206 HA3 0.11 0.02 0.22 -0.51 4.01 3.86 1v9pA1 SER 207 H -0.05 0.29 -0.27 -0.55 8.46 7.88 1v9pA1 SER 207 HA 0.05 -0.03 0.18 -0.75 4.49 3.94 1v9pA1 SER 207 HB2 -0.03 0.10 0.03 -0.04 3.95 4.01 1v9pA1 SER 207 HB3 0.01 -0.00 0.07 -0.04 3.93 3.97 1v9pA1 LEU 208 H -0.04 0.22 -1.07 -0.55 8.37 6.94 1v9pA1 LEU 208 HA -0.01 0.12 0.80 -0.75 4.35 4.51 1v9pA1 LEU 208 HB2 -0.03 0.00 -0.07 -0.04 1.64 1.49 1v9pA1 LEU 208 HB3 -0.05 0.12 0.05 -0.04 1.64 1.71 1v9pA1 LEU 208 HG -0.04 -0.04 -0.09 -0.04 1.64 1.43 1v9pA1 LEU 208 HD13 -0.01 -0.00 -0.14 -0.04 0.93 0.73 1v9pA1 LEU 208 HD23 -0.03 -0.03 -0.13 -0.04 0.89 0.66 1v9pA1 ARG 209 H -0.06 0.41 0.10 -0.55 8.46 8.36 1v9pA1 ARG 209 HA -0.43 0.11 0.67 -0.75 4.34 3.94 1v9pA1 ARG 209 HB2 -0.18 0.05 0.06 -0.04 1.90 1.78 1v9pA1 ARG 209 HB3 -0.10 -0.08 0.19 -0.04 1.80 1.77 1v9pA1 ARG 209 HG2 -0.33 -0.04 0.09 -0.04 1.67 1.35 1v9pA1 ARG 209 HG3 -0.84 0.03 0.03 -0.04 1.67 0.85 1v9pA1 ARG 209 HD2 -0.08 -0.05 0.00 -0.04 3.22 3.05 1v9pA1 ARG 209 HD3 -0.16 -0.02 0.01 -0.04 3.22 3.00 1v9pA1 GLN 210 H 0.07 0.35 -0.55 -0.55 8.47 7.79 1v9pA1 GLN 210 HA 0.16 0.09 0.83 -0.75 4.36 4.68 1v9pA1 GLN 210 HB2 0.10 0.05 -0.17 -0.04 2.15 2.09 1v9pA1 GLN 210 HB3 0.10 -0.11 -0.08 -0.04 2.02 1.88 1v9pA1 GLN 210 HG2 0.06 0.24 -0.41 -0.04 2.40 2.25 1v9pA1 GLN 210 HG3 0.07 -0.01 -0.20 -0.04 2.39 2.20 1v9pA1 GLN 210 HE21 0.10 -0.09 -0.13 -0.04 6.97 6.81 1v9pA1 GLN 210 HE22 0.08 0.22 -0.37 -0.04 7.69 7.58 1v9pA1 LYS 211 H 0.17 0.10 0.11 -0.55 8.42 8.24 1v9pA1 LYS 211 HA 0.07 0.15 0.44 -0.75 4.32 4.22 1v9pA1 LYS 211 HB2 0.05 -0.11 0.15 -0.04 1.87 1.93 1v9pA1 LYS 211 HB3 -0.02 0.05 0.03 -0.04 1.79 1.81 1v9pA1 LYS 211 HG2 -0.09 0.05 0.05 -0.04 1.46 1.43 1v9pA1 LYS 211 HG3 0.11 -0.01 0.10 -0.04 1.46 1.62 1v9pA1 LYS 211 HD2 -0.02 0.02 0.03 -0.04 1.69 1.68 1v9pA1 LYS 211 HD3 0.01 -0.00 0.03 -0.04 1.68 1.68 1v9pA1 LYS 211 HE2 0.03 -0.01 0.03 -0.04 2.99 3.00 1v9pA1 LYS 211 HE3 0.06 -0.01 0.06 -0.04 2.99 3.06 1v9pA1 ASP 212 H 0.08 0.01 -0.06 -0.55 8.40 7.88 1v9pA1 ASP 212 HA 0.05 0.25 0.58 -0.75 4.63 4.76 1v9pA1 ASP 212 HB2 0.05 0.03 0.10 -0.04 2.71 2.85 1v9pA1 ASP 212 HB3 0.06 -0.05 0.18 -0.04 2.70 2.85 1v9pA1 PRO 213 HA 0.08 0.05 0.32 -0.51 4.44 4.39 1v9pA1 PRO 213 HB2 0.10 0.06 -0.11 -0.04 2.28 2.29 1v9pA1 PRO 213 HB3 0.08 0.00 -0.01 -0.04 2.02 2.05 1v9pA1 PRO 213 HG2 0.10 -0.04 -0.13 -0.04 2.03 1.92 1v9pA1 PRO 213 HG3 0.07 0.29 -0.10 -0.04 2.03 2.26 1v9pA1 PRO 213 HD2 0.05 0.00 0.17 -0.04 3.68 3.86 1v9pA1 PRO 213 HD3 0.07 0.42 0.26 -0.04 3.65 4.35 1v9pA1 ARG 214 H 0.08 0.02 -0.66 -0.55 8.46 7.35 1v9pA1 ARG 214 HA 0.11 0.16 0.42 -0.75 4.34 4.27 1v9pA1 ARG 214 HB2 0.10 0.05 0.05 -0.04 1.90 2.06 1v9pA1 ARG 214 HB3 0.07 -0.09 -0.00 -0.04 1.80 1.74 1v9pA1 ARG 214 HG2 0.06 -0.07 -0.04 -0.04 1.67 1.58 1v9pA1 ARG 214 HG3 0.07 0.10 0.15 -0.04 1.67 1.95 1v9pA1 ARG 214 HD2 0.08 0.27 0.13 -0.04 3.22 3.66 1v9pA1 ARG 214 HD3 0.06 -0.13 0.02 -0.04 3.22 3.14 1v9pA1 VAL 215 H 0.07 0.57 -0.16 -0.55 8.24 8.17 1v9pA1 VAL 215 HA 0.05 0.07 0.48 -0.75 4.13 3.97 1v9pA1 VAL 215 HB 0.07 0.08 0.08 -0.04 2.12 2.31 1v9pA1 VAL 215 HG13 0.06 -0.01 -0.13 -0.04 0.97 0.85 1v9pA1 VAL 215 HG23 0.06 -0.03 0.04 -0.04 0.95 0.98 1v9pA1 THR 216 H 0.07 0.16 -0.10 -0.55 8.28 7.86 1v9pA1 THR 216 HA 0.04 0.06 0.44 -0.75 4.39 4.18 1v9pA1 THR 216 HB 0.05 0.07 0.12 -0.04 4.32 4.52 1v9pA1 THR 216 HG23 0.01 0.02 0.01 -0.04 1.22 1.22 1v9pA1 ALA 217 H 0.07 0.16 -0.72 -0.55 8.40 7.36 1v9pA1 ALA 217 HA 0.05 0.19 0.52 -0.75 4.34 4.35 1v9pA1 ALA 217 HB3 0.11 0.02 0.07 -0.04 1.41 1.57 1v9pA1 LYS 218 H 0.05 0.38 -0.13 -0.55 8.42 8.17 1v9pA1 LYS 218 HA 0.03 0.10 0.63 -0.75 4.32 4.33 1v9pA1 LYS 218 HB2 0.03 -0.10 0.11 -0.04 1.87 1.87 1v9pA1 LYS 218 HB3 0.04 0.04 0.13 -0.04 1.79 1.95 1v9pA1 LYS 218 HG2 0.04 0.35 0.10 -0.04 1.46 1.91 1v9pA1 LYS 218 HG3 0.04 -0.10 -0.35 -0.04 1.46 1.00 1v9pA1 LYS 218 HD2 0.03 -0.06 -0.01 -0.04 1.69 1.61 1v9pA1 LYS 218 HD3 0.04 0.01 0.03 -0.04 1.68 1.71 1v9pA1 LYS 218 HE2 0.04 0.01 -0.02 -0.04 2.99 2.98 1v9pA1 LYS 218 HE3 0.04 -0.05 -0.06 -0.04 2.99 2.87 1v9pA1 ARG 219 H 0.03 0.25 -0.28 -0.55 8.46 7.91 1v9pA1 ARG 219 HA 0.03 -0.06 0.53 -0.75 4.34 4.09 1v9pA1 ARG 219 HB2 0.02 0.25 0.04 -0.04 1.90 2.17 1v9pA1 ARG 219 HB3 0.03 -0.18 0.09 -0.04 1.80 1.70 1v9pA1 ARG 219 HG2 0.05 0.19 0.01 -0.04 1.67 1.87 1v9pA1 ARG 219 HG3 0.04 0.03 0.02 -0.04 1.67 1.72 1v9pA1 ARG 219 HD2 0.08 -0.06 -0.00 -0.04 3.22 3.20 1v9pA1 ARG 219 HD3 0.06 -0.03 -0.02 -0.04 3.22 3.19 1v9pA1 GLY 220 H 0.02 -0.06 0.10 -0.55 8.43 7.95 1v9pA1 GLY 220 HA2 -0.00 0.20 0.30 -0.51 4.01 4.00 1v9pA1 GLY 220 HA3 -0.00 -0.17 0.34 -0.51 4.01 3.66 1v9pA1 LEU 221 H -0.04 -0.05 -0.25 -0.55 8.37 7.48 1v9pA1 LEU 221 HA -0.18 0.00 0.43 -0.75 4.35 3.85 1v9pA1 LEU 221 HB2 -0.04 0.18 -0.06 -0.04 1.64 1.68 1v9pA1 LEU 221 HB3 -0.08 0.00 -0.14 -0.04 1.64 1.38 1v9pA1 LEU 221 HG -0.09 -0.04 -0.14 -0.04 1.64 1.33 1v9pA1 LEU 221 HD13 -0.05 -0.04 -0.07 -0.04 0.93 0.73 1v9pA1 LEU 221 HD23 -0.03 0.05 -0.21 -0.04 0.89 0.67 1v9pA1 ARG 222 H -0.47 0.87 0.40 -0.55 8.46 8.72 1v9pA1 ARG 222 HA -0.20 0.16 0.84 -0.75 4.34 4.38 1v9pA1 ARG 222 HB2 -0.53 -0.04 -0.02 -0.04 1.90 1.28 1v9pA1 ARG 222 HB3 -0.70 -0.11 -0.06 -0.04 1.80 0.88 1v9pA1 ARG 222 HG2 -0.08 -0.02 0.09 -0.04 1.67 1.62 1v9pA1 ARG 222 HG3 -0.11 0.22 0.05 -0.04 1.67 1.79 1v9pA1 ARG 222 HD2 -0.03 -0.01 -0.01 -0.04 3.22 3.13 1v9pA1 ARG 222 HD3 0.02 -0.09 -0.06 -0.04 3.22 3.05 1v9pA1 ALA 223 H -0.10 0.25 0.18 -0.55 8.40 8.19 1v9pA1 ALA 223 HA -0.09 0.13 1.11 -0.75 4.34 4.73 1v9pA1 ALA 223 HB3 -0.14 0.02 -0.03 -0.04 1.41 1.22 1v9pA1 THR 224 H -0.36 0.55 0.34 -0.55 8.28 8.26 1v9pA1 THR 224 HA -0.12 0.59 0.90 -0.75 4.39 5.01 1v9pA1 THR 224 HB -0.03 -0.01 -0.19 -0.04 4.32 4.05 1v9pA1 THR 224 HG23 -0.36 -0.01 -0.13 -0.04 1.22 0.67 1v9pA1 PHE 225 H 0.05 0.53 0.30 -0.55 8.34 8.67 1v9pA1 PHE 225 HA -0.40 -0.01 1.11 -0.75 4.62 4.56 1v9pA1 PHE 225 HB2 -0.11 0.06 -0.12 -0.04 3.15 2.95 1v9pA1 PHE 225 HB3 -0.31 0.01 -0.16 -0.04 3.06 2.55 1v9pA1 PHE 225 HD2 -0.08 -0.00 -0.45 -0.04 7.28 6.70 1v9pA1 PHE 225 HE2 0.01 0.03 -0.22 -0.04 7.38 7.16 1v9pA1 PHE 225 HZ 0.03 0.04 -0.21 -0.04 7.32 7.14 1v9pA1 TYR 226 H -0.72 0.36 0.40 -0.55 8.29 7.78 1v9pA1 TYR 226 HA 0.09 0.17 0.84 -0.75 4.56 4.90 1v9pA1 TYR 226 HB2 0.11 -0.04 0.02 -0.04 3.06 3.11 1v9pA1 TYR 226 HB3 0.12 0.02 -0.20 -0.04 2.98 2.88 1v9pA1 TYR 226 HD2 -0.14 -0.01 -0.39 -0.04 7.15 6.58 1v9pA1 TYR 226 HE2 -0.06 -0.01 -0.21 -0.04 6.85 6.52 1v9pA1 ALA 227 H -0.15 0.62 0.35 -0.55 8.40 8.68 1v9pA1 ALA 227 HA 0.16 0.13 0.89 -0.75 4.34 4.78 1v9pA1 ALA 227 HB3 0.34 0.02 -0.04 -0.04 1.41 1.69 1v9pA1 LEU 228 H 0.08 0.13 0.18 -0.55 8.37 8.21 1v9pA1 LEU 228 HA -0.02 0.24 0.98 -0.75 4.35 4.80 1v9pA1 LEU 228 HB2 -0.05 -0.06 0.01 -0.04 1.64 1.50 1v9pA1 LEU 228 HB3 -0.03 -0.03 -0.04 -0.04 1.64 1.50 1v9pA1 LEU 228 HG -0.05 -0.05 -0.17 -0.04 1.64 1.33 1v9pA1 LEU 228 HD13 -0.24 -0.00 -0.19 -0.04 0.93 0.45 1v9pA1 LEU 228 HD23 0.04 0.05 -0.32 -0.04 0.89 0.62 1v9pA1 GLY 229 H 0.02 0.17 -0.09 -0.55 8.43 7.98 1v9pA1 GLY 229 HA2 0.08 0.14 0.60 -0.51 4.01 4.32 1v9pA1 GLY 229 HA3 0.06 0.04 0.35 -0.51 4.01 3.95 1v9pA1 LEU 230 H 0.07 0.16 0.08 -0.55 8.37 8.13 1v9pA1 LEU 230 HA 0.05 0.02 0.38 -0.75 4.35 4.04 1v9pA1 LEU 230 HB2 0.13 -0.04 0.04 -0.04 1.64 1.73 1v9pA1 LEU 230 HB3 0.11 0.12 -0.11 -0.04 1.64 1.72 1v9pA1 LEU 230 HG 0.07 0.04 -0.04 -0.04 1.64 1.66 1v9pA1 LEU 230 HD13 0.05 0.01 -0.01 -0.04 0.93 0.93 1v9pA1 LEU 230 HD23 0.04 0.00 -0.11 -0.04 0.89 0.78 1v9pA1 GLY 231 H 0.00 0.03 0.27 -0.55 8.43 8.19 1v9pA1 GLY 231 HA2 -0.01 0.08 0.28 -0.51 4.01 3.84 1v9pA1 GLY 231 HA3 -0.01 0.15 0.77 -0.51 4.01 4.41 1v9pA1 LEU 232 H -0.05 0.50 0.12 -0.55 8.37 8.40 1v9pA1 LEU 232 HA -0.20 0.02 0.34 -0.75 4.35 3.75 1v9pA1 LEU 232 HB2 -0.06 -0.01 0.13 -0.04 1.64 1.66 1v9pA1 LEU 232 HB3 -0.14 0.03 -0.10 -0.04 1.64 1.38 1v9pA1 LEU 232 HG -0.05 0.05 -0.06 -0.04 1.64 1.54 1v9pA1 LEU 232 HD13 -0.06 0.02 -0.05 -0.04 0.93 0.80 1v9pA1 LEU 232 HD23 -0.26 -0.01 -0.04 -0.04 0.89 0.55 1v9pA1 GLU 233 H -0.07 0.15 -0.08 -0.55 8.60 8.05 1v9pA1 GLU 233 HA -0.12 0.06 1.02 -0.75 4.29 4.49 1v9pA1 GLU 233 HB2 -0.07 0.01 0.08 -0.04 2.09 2.06 1v9pA1 GLU 233 HB3 -0.05 0.02 0.11 -0.04 1.99 2.03 1v9pA1 GLU 233 HG2 -0.05 0.02 0.00 -0.04 2.34 2.27 1v9pA1 GLU 233 HG3 -0.05 0.03 -0.08 -0.04 2.34 2.20 1v9pA1 GLU 234 H -0.14 0.05 0.09 -0.55 8.60 8.05 1v9pA1 GLU 234 HA -0.06 0.03 0.28 -0.75 4.29 3.80 1v9pA1 GLU 234 HB2 -0.07 0.15 -0.22 -0.04 2.09 1.91 1v9pA1 GLU 234 HB3 -0.05 -0.01 -0.06 -0.04 1.99 1.83 1v9pA1 GLU 234 HG2 -0.02 0.10 0.26 -0.04 2.34 2.64 1v9pA1 GLU 234 HG3 -0.00 -0.01 0.09 -0.04 2.34 2.37 1v9pA1 SER 235 H -0.22 0.52 0.09 -0.55 8.46 8.30 1v9pA1 SER 235 HA -0.31 0.15 0.45 -0.75 4.49 4.03 1v9pA1 SER 235 HB2 -1.22 -0.01 0.07 -0.04 3.95 2.75 1v9pA1 SER 235 HB3 -0.64 0.10 0.09 -0.04 3.93 3.45 1v9pA1 GLY 236 H -0.21 -0.04 0.03 -0.55 8.43 7.67 1v9pA1 GLY 236 HA2 -0.14 -0.02 0.30 -0.51 4.01 3.64 1v9pA1 GLY 236 HA3 -0.14 0.15 0.55 -0.51 4.01 4.06 1v9pA1 LEU 237 H -0.34 0.06 -0.18 -0.55 8.37 7.36 1v9pA1 LEU 237 HA -0.21 0.06 0.43 -0.75 4.35 3.86 1v9pA1 LEU 237 HB2 -0.33 0.01 -0.00 -0.04 1.64 1.28 1v9pA1 LEU 237 HB3 -0.25 -0.05 -0.01 -0.04 1.64 1.29 1v9pA1 LEU 237 HG -0.72 -0.01 -0.05 -0.04 1.64 0.82 1v9pA1 LEU 237 HD13 -0.40 -0.01 -0.03 -0.04 0.93 0.45 1v9pA1 LEU 237 HD23 -0.54 0.02 -0.13 -0.04 0.89 0.20 1v9pA1 LYS 238 H -0.13 -0.06 0.23 -0.55 8.42 7.91 1v9pA1 LYS 238 HA -0.17 0.17 0.88 -0.75 4.32 4.44 1v9pA1 LYS 238 HB2 -0.08 -0.05 0.04 -0.04 1.87 1.74 1v9pA1 LYS 238 HB3 -0.09 0.15 -0.06 -0.04 1.79 1.75 1v9pA1 LYS 238 HG2 -0.07 -0.01 0.18 -0.04 1.46 1.52 1v9pA1 LYS 238 HG3 -0.04 -0.07 0.07 -0.04 1.46 1.38 1v9pA1 LYS 238 HD2 -0.03 -0.02 0.01 -0.04 1.69 1.60 1v9pA1 LYS 238 HD3 -0.04 0.11 0.02 -0.04 1.68 1.72 1v9pA1 LYS 238 HE2 -0.01 0.03 0.04 -0.04 2.99 3.01 1v9pA1 LYS 238 HE3 -0.00 -0.06 0.03 -0.04 2.99 2.91 1v9pA1 SER 239 H -0.08 0.02 0.25 -0.55 8.46 8.11 1v9pA1 SER 239 HA -0.07 0.44 1.21 -0.75 4.49 5.32 1v9pA1 SER 239 HB2 0.02 0.10 0.07 -0.04 3.95 4.10 1v9pA1 SER 239 HB3 0.04 -0.04 0.16 -0.04 3.93 4.05 1v9pA1 GLN 240 H 0.03 0.55 0.31 -0.55 8.47 8.82 1v9pA1 GLN 240 HA -0.07 0.11 0.41 -0.75 4.36 4.05 1v9pA1 GLN 240 HB2 0.27 0.13 0.09 -0.04 2.15 2.60 1v9pA1 GLN 240 HB3 0.21 -0.08 0.18 -0.04 2.02 2.29 1v9pA1 GLN 240 HG2 0.24 0.06 -0.06 -0.04 2.40 2.60 1v9pA1 GLN 240 HG3 0.11 -0.04 -0.39 -0.04 2.39 2.02 1v9pA1 GLN 240 HE21 0.19 0.21 0.02 -0.04 6.97 7.35 1v9pA1 GLN 240 HE22 0.10 -0.03 -0.09 -0.04 7.69 7.63 1v9pA1 TYR 241 H 0.22 0.09 -0.06 -0.55 8.29 7.99 1v9pA1 TYR 241 HA 0.02 0.12 0.28 -0.75 4.56 4.23 1v9pA1 TYR 241 HB2 0.11 0.00 0.08 -0.04 3.06 3.20 1v9pA1 TYR 241 HB3 0.07 -0.05 0.01 -0.04 2.98 2.98 1v9pA1 TYR 241 HD2 0.18 -0.02 -0.16 -0.04 7.15 7.10 1v9pA1 TYR 241 HE2 0.19 0.01 -0.04 -0.04 6.85 6.97 1v9pA1 GLU 242 H 0.15 -0.00 -0.32 -0.55 8.60 7.89 1v9pA1 GLU 242 HA 0.15 0.09 0.41 -0.75 4.29 4.18 1v9pA1 GLU 242 HB2 0.01 0.00 0.16 -0.04 2.09 2.22 1v9pA1 GLU 242 HB3 0.07 0.08 0.06 -0.04 1.99 2.15 1v9pA1 GLU 242 HG2 0.12 -0.11 0.08 -0.04 2.34 2.39 1v9pA1 GLU 242 HG3 0.04 -0.02 0.09 -0.04 2.34 2.42 1v9pA1 LEU 243 H -0.01 0.43 -0.20 -0.55 8.37 8.04 1v9pA1 LEU 243 HA 0.06 -0.03 0.36 -0.75 4.35 3.98 1v9pA1 LEU 243 HB2 -0.09 -0.02 0.19 -0.04 1.64 1.68 1v9pA1 LEU 243 HB3 -0.02 0.14 0.20 -0.04 1.64 1.92 1v9pA1 LEU 243 HG 0.04 -0.04 -0.10 -0.04 1.64 1.50 1v9pA1 LEU 243 HD13 -0.19 -0.04 -0.05 -0.04 0.93 0.60 1v9pA1 LEU 243 HD23 0.05 -0.04 -0.13 -0.04 0.89 0.73 1v9pA1 LEU 244 H -0.12 0.41 -0.06 -0.55 8.37 8.05 1v9pA1 LEU 244 HA -0.03 0.07 0.33 -0.75 4.35 3.96 1v9pA1 LEU 244 HB2 -0.76 0.07 0.03 -0.04 1.64 0.94 1v9pA1 LEU 244 HB3 -0.60 0.03 0.02 -0.04 1.64 1.05 1v9pA1 LEU 244 HG -0.22 0.07 0.05 -0.04 1.64 1.49 1v9pA1 LEU 244 HD13 -1.00 -0.03 -0.10 -0.04 0.93 -0.24 1v9pA1 LEU 244 HD23 0.01 0.01 0.04 -0.04 0.89 0.90 1v9pA1 LEU 245 H -0.03 0.28 -0.43 -0.55 8.37 7.64 1v9pA1 LEU 245 HA 0.07 0.08 0.60 -0.75 4.35 4.34 1v9pA1 LEU 245 HB2 0.10 0.05 0.20 -0.04 1.64 1.94 1v9pA1 LEU 245 HB3 0.10 -0.03 0.02 -0.04 1.64 1.69 1v9pA1 LEU 245 HG -0.03 0.04 -0.00 -0.04 1.64 1.60 1v9pA1 LEU 245 HD13 0.23 -0.03 -0.02 -0.04 0.93 1.06 1v9pA1 LEU 245 HD23 0.11 0.01 0.02 -0.04 0.89 0.99 1v9pA1 TRP 246 H 0.24 0.76 0.12 -0.55 7.97 8.54 1v9pA1 TRP 246 HA 0.01 -0.01 0.42 -0.75 4.62 4.29 1v9pA1 TRP 246 HB2 -0.02 -0.06 0.08 -0.04 3.23 3.19 1v9pA1 TRP 246 HB3 -0.03 0.06 0.20 -0.04 3.23 3.41 1v9pA1 TRP 246 HD1 -0.00 -0.03 0.00 -0.04 7.22 7.15 1v9pA1 TRP 246 HE1 -0.01 0.07 -0.02 -0.04 10.20 10.19 1v9pA1 TRP 246 HE3 -0.07 0.01 -0.15 -0.04 7.59 7.34 1v9pA1 TRP 246 HZ2 -0.02 0.08 -0.10 -0.04 7.44 7.36 1v9pA1 TRP 246 HZ3 -0.13 -0.02 -0.15 -0.04 7.13 6.79 1v9pA1 TRP 246 HH2 -0.04 -0.03 -0.09 -0.04 7.19 6.99 1v9pA1 LEU 247 H 0.26 0.84 0.01 -0.55 8.37 8.93 1v9pA1 LEU 247 HA -0.08 -0.05 0.21 -0.75 4.35 3.68 1v9pA1 LEU 247 HB2 0.08 0.09 -0.01 -0.04 1.64 1.76 1v9pA1 LEU 247 HB3 0.07 0.03 -0.21 -0.04 1.64 1.49 1v9pA1 LEU 247 HG 0.21 -0.02 -0.20 -0.04 1.64 1.59 1v9pA1 LEU 247 HD13 0.05 -0.02 -0.47 -0.04 0.93 0.45 1v9pA1 LEU 247 HD23 -0.24 -0.01 -0.17 -0.04 0.89 0.43 1v9pA1 LYS 248 H 0.04 0.26 -0.59 -0.55 8.42 7.57 1v9pA1 LYS 248 HA 0.06 0.30 0.56 -0.75 4.32 4.48 1v9pA1 LYS 248 HB2 0.08 0.05 0.19 -0.04 1.87 2.15 1v9pA1 LYS 248 HB3 0.04 0.08 0.25 -0.04 1.79 2.11 1v9pA1 LYS 248 HG2 0.02 -0.03 -0.12 -0.04 1.46 1.30 1v9pA1 LYS 248 HG3 0.05 0.01 0.07 -0.04 1.46 1.55 1v9pA1 LYS 248 HD2 0.09 0.04 0.08 -0.04 1.69 1.86 1v9pA1 LYS 248 HD3 0.08 -0.04 0.06 -0.04 1.68 1.73 1v9pA1 LYS 248 HE2 0.04 0.01 0.02 -0.04 2.99 3.02 1v9pA1 LYS 248 HE3 0.05 -0.03 0.03 -0.04 2.99 3.00 1v9pA1 GLU 249 H -0.06 0.56 0.09 -0.55 8.60 8.64 1v9pA1 GLU 249 HA -0.07 -0.02 0.39 -0.75 4.29 3.83 1v9pA1 GLU 249 HB2 -0.04 -0.06 0.17 -0.04 2.09 2.12 1v9pA1 GLU 249 HB3 -0.18 0.12 0.19 -0.04 1.99 2.08 1v9pA1 GLU 249 HG2 -0.14 0.04 -0.15 -0.04 2.34 2.06 1v9pA1 GLU 249 HG3 -0.05 -0.06 0.08 -0.04 2.34 2.26 1v9pA1 LYS 250 H -0.31 0.36 -0.47 -0.55 8.42 7.44 1v9pA1 LYS 250 HA -0.33 0.06 0.50 -0.75 4.32 3.79 1v9pA1 LYS 250 HB2 -0.28 0.09 -0.02 -0.04 1.87 1.62 1v9pA1 LYS 250 HB3 -0.44 -0.08 0.01 -0.04 1.79 1.23 1v9pA1 LYS 250 HG2 -1.45 0.15 -0.12 -0.04 1.46 0.00 1v9pA1 LYS 250 HG3 -1.68 -0.11 -0.13 -0.04 1.46 -0.50 1v9pA1 LYS 250 HD2 -0.39 -0.11 -0.02 -0.04 1.69 1.14 1v9pA1 LYS 250 HD3 -0.43 0.05 -0.13 -0.04 1.68 1.13 1v9pA1 LYS 250 HE2 -0.75 -0.05 -0.08 -0.04 2.99 2.07 1v9pA1 LYS 250 HE3 -0.27 -0.08 -0.16 -0.04 2.99 2.45 1v9pA1 GLY 251 H -0.16 0.53 -0.23 -0.55 8.43 8.03 1v9pA1 GLY 251 HA2 -0.15 -0.01 0.27 -0.51 4.01 3.61 1v9pA1 GLY 251 HA3 -0.30 0.12 0.88 -0.51 4.01 4.20 1v9pA1 PHE 252 H -0.07 0.19 0.07 -0.55 8.34 7.98 1v9pA1 PHE 252 HA -0.01 0.18 0.61 -0.75 4.62 4.65 1v9pA1 PHE 252 HB2 -0.09 0.30 0.06 -0.04 3.15 3.38 1v9pA1 PHE 252 HB3 0.08 -0.08 -0.11 -0.04 3.06 2.91 1v9pA1 PHE 252 HD2 -0.46 0.05 -0.06 -0.04 7.28 6.77 1v9pA1 PHE 252 HE2 -0.48 -0.02 -0.14 -0.04 7.38 6.70 1v9pA1 PHE 252 HZ -1.00 -0.03 -0.16 -0.04 7.32 6.09 1v9pA1 PRO 253 HA 0.12 0.11 0.75 -0.51 4.44 4.91 1v9pA1 PRO 253 HB2 0.09 -0.03 0.06 -0.04 2.28 2.36 1v9pA1 PRO 253 HB3 0.09 0.06 0.05 -0.04 2.02 2.17 1v9pA1 PRO 253 HG2 0.15 -0.07 0.01 -0.04 2.03 2.08 1v9pA1 PRO 253 HG3 0.14 -0.06 -0.06 -0.04 2.03 2.02 1v9pA1 PRO 253 HD2 0.57 -0.02 0.09 -0.04 3.68 4.28 1v9pA1 PRO 253 HD3 0.16 0.57 -0.00 -0.04 3.65 4.34 1v9pA1 VAL 254 H 0.13 0.29 0.10 -0.55 8.24 8.21 1v9pA1 VAL 254 HA 0.21 -0.07 0.89 -0.75 4.13 4.41 1v9pA1 VAL 254 HB 0.17 0.12 -0.02 -0.04 2.12 2.35 1v9pA1 VAL 254 HG13 0.14 0.05 0.15 -0.04 0.97 1.26 1v9pA1 VAL 254 HG23 0.22 -0.02 -0.06 -0.04 0.95 1.06 1v9pA1 GLU 255 H 0.19 0.01 0.04 -0.55 8.60 8.29 1v9pA1 GLU 255 HA 0.11 0.25 0.89 -0.75 4.29 4.77 1v9pA1 GLU 255 HB2 0.08 -0.05 -0.13 -0.04 2.09 1.95 1v9pA1 GLU 255 HB3 0.11 0.02 -0.02 -0.04 1.99 2.05 1v9pA1 GLU 255 HG2 0.09 0.05 -0.27 -0.04 2.34 2.17 1v9pA1 GLU 255 HG3 0.10 -0.01 -0.23 -0.04 2.34 2.16 1v9pA1 HIS 256 H 0.38 -0.05 0.02 -0.55 8.41 8.22 1v9pA1 HIS 256 HA 0.05 0.03 0.39 -0.75 4.63 4.35 1v9pA1 HIS 256 HB2 0.07 -0.02 -0.05 -0.04 3.26 3.22 1v9pA1 HIS 256 HB3 -0.28 -0.03 -0.02 -0.04 3.20 2.82 1v9pA1 HIS 256 HD2 0.11 0.15 -0.12 -0.04 6.97 7.07 1v9pA1 HIS 256 HE1 0.13 0.17 -0.16 -0.04 7.75 7.85 1v9pA1 GLY 257 H 0.18 0.04 0.14 -0.55 8.43 8.25 1v9pA1 GLY 257 HA2 0.03 0.18 0.44 -0.51 4.01 4.15 1v9pA1 GLY 257 HA3 0.20 0.03 0.31 -0.51 4.01 4.04 1v9pA1 TYR 258 H -0.21 0.28 0.22 -0.55 8.29 8.03 1v9pA1 TYR 258 HA 0.18 0.20 0.94 -0.75 4.56 5.13 1v9pA1 TYR 258 HB2 0.07 -0.03 -0.03 -0.04 3.06 3.03 1v9pA1 TYR 258 HB3 -0.06 0.03 -0.23 -0.04 2.98 2.68 1v9pA1 TYR 258 HD2 -0.11 0.03 -0.22 -0.04 7.15 6.80 1v9pA1 TYR 258 HE2 -0.67 0.03 -0.06 -0.04 6.85 6.10 1v9pA1 GLU 259 H 0.29 0.93 0.43 -0.55 8.60 9.71 1v9pA1 GLU 259 HA 0.35 0.04 0.53 -0.75 4.29 4.46 1v9pA1 GLU 259 HB2 0.13 -0.03 0.16 -0.04 2.09 2.30 1v9pA1 GLU 259 HB3 0.13 0.16 -0.02 -0.04 1.99 2.22 1v9pA1 GLU 259 HG2 0.18 -0.02 -0.18 -0.04 2.34 2.27 1v9pA1 GLU 259 HG3 0.05 0.01 -0.16 -0.04 2.34 2.20 1v9pA1 LYS 260 H 0.16 0.13 0.20 -0.55 8.42 8.35 1v9pA1 LYS 260 HA 0.18 0.19 0.79 -0.75 4.32 4.73 1v9pA1 LYS 260 HB2 -0.01 0.00 0.12 -0.04 1.87 1.94 1v9pA1 LYS 260 HB3 0.03 -0.02 0.12 -0.04 1.79 1.88 1v9pA1 LYS 260 HG2 0.07 0.03 0.10 -0.04 1.46 1.62 1v9pA1 LYS 260 HG3 -0.22 -0.02 0.09 -0.04 1.46 1.27 1v9pA1 LYS 260 HD2 -0.29 0.03 0.03 -0.04 1.69 1.42 1v9pA1 LYS 260 HD3 -0.10 -0.01 0.03 -0.04 1.68 1.56 1v9pA1 LYS 260 HE2 -0.14 -0.08 0.01 -0.04 2.99 2.75 1v9pA1 LYS 260 HE3 -1.19 0.03 0.00 -0.04 2.99 1.80 1v9pA1 ALA 261 H 0.13 0.45 0.27 -0.55 8.40 8.71 1v9pA1 ALA 261 HA 0.07 0.07 0.47 -0.75 4.34 4.20 1v9pA1 ALA 261 HB3 0.11 0.03 -0.27 -0.04 1.41 1.24 1v9pA1 LEU 262 H 0.08 0.20 0.11 -0.55 8.37 8.21 1v9pA1 LEU 262 HA 0.05 0.18 0.70 -0.75 4.35 4.52 1v9pA1 LEU 262 HB2 0.02 0.02 -0.04 -0.04 1.64 1.60 1v9pA1 LEU 262 HB3 0.03 0.01 0.12 -0.04 1.64 1.76 1v9pA1 LEU 262 HG -0.00 -0.06 -0.26 -0.04 1.64 1.27 1v9pA1 LEU 262 HD13 -0.05 0.01 -0.35 -0.04 0.93 0.50 1v9pA1 LEU 262 HD23 -0.01 0.02 -0.04 -0.04 0.89 0.82 1v9pA1 GLY 263 H 0.05 0.47 0.09 -0.55 8.43 8.50 1v9pA1 GLY 263 HA2 0.22 0.01 0.53 -0.51 4.01 4.25 1v9pA1 GLY 263 HA3 0.10 0.03 0.33 -0.51 4.01 3.96 1v9pA1 ALA 264 H 0.22 0.18 0.16 -0.55 8.40 8.41 1v9pA1 ALA 264 HA 0.13 0.08 0.35 -0.75 4.34 4.15 1v9pA1 ALA 264 HB3 -0.02 0.02 0.18 -0.04 1.41 1.56 1v9pA1 GLU 265 H 0.23 0.06 -0.14 -0.55 8.60 8.20 1v9pA1 GLU 265 HA 0.17 0.04 0.28 -0.75 4.29 4.02 1v9pA1 GLU 265 HB2 0.09 -0.03 0.04 -0.04 2.09 2.15 1v9pA1 GLU 265 HB3 0.04 0.06 -0.03 -0.04 1.99 2.02 1v9pA1 GLU 265 HG2 0.07 0.06 -0.00 -0.04 2.34 2.43 1v9pA1 GLU 265 HG3 0.22 0.00 0.03 -0.04 2.34 2.56 1v9pA1 GLY 266 H 0.11 0.28 -0.07 -0.55 8.43 8.20 1v9pA1 GLY 266 HA2 0.06 -0.02 0.44 -0.51 4.01 3.98 1v9pA1 GLY 266 HA3 0.09 0.10 0.39 -0.51 4.01 4.07 1v9pA1 VAL 267 H 0.17 0.60 -0.20 -0.55 8.24 8.25 1v9pA1 VAL 267 HA 0.08 -0.03 0.29 -0.75 4.13 3.72 1v9pA1 VAL 267 HB 0.12 0.18 0.11 -0.04 2.12 2.49 1v9pA1 VAL 267 HG13 0.07 -0.02 -0.24 -0.04 0.97 0.74 1v9pA1 VAL 267 HG23 0.09 0.00 -0.23 -0.04 0.95 0.77 1v9pA1 GLU 268 H 0.19 0.80 -0.13 -0.55 8.60 8.92 1v9pA1 GLU 268 HA 0.22 -0.06 0.26 -0.75 4.29 3.95 1v9pA1 GLU 268 HB2 0.39 -0.08 -0.02 -0.04 2.09 2.34 1v9pA1 GLU 268 HB3 0.06 0.28 0.06 -0.04 1.99 2.36 1v9pA1 GLU 268 HG2 -0.44 -0.05 -0.03 -0.04 2.34 1.77 1v9pA1 GLU 268 HG3 -0.05 0.03 -0.09 -0.04 2.34 2.19 1v9pA1 GLU 269 H 0.06 0.54 -0.90 -0.55 8.60 7.75 1v9pA1 GLU 269 HA 0.03 0.05 0.64 -0.75 4.29 4.25 1v9pA1 GLU 269 HB2 0.02 -0.03 0.11 -0.04 2.09 2.15 1v9pA1 GLU 269 HB3 0.02 0.24 0.26 -0.04 1.99 2.47 1v9pA1 GLU 269 HG2 0.01 -0.02 -0.23 -0.04 2.34 2.07 1v9pA1 GLU 269 HG3 0.01 -0.03 0.02 -0.04 2.34 2.29 1v9pA1 VAL 270 H -0.02 0.40 0.14 -0.55 8.24 8.21 1v9pA1 VAL 270 HA -0.15 0.03 0.32 -0.75 4.13 3.57 1v9pA1 VAL 270 HB -0.25 0.05 0.04 -0.04 2.12 1.92 1v9pA1 VAL 270 HG13 -1.07 -0.01 -0.20 -0.04 0.97 -0.34 1v9pA1 VAL 270 HG23 -0.07 0.03 -0.01 -0.04 0.95 0.86 1v9pA1 TYR 271 H 0.04 0.57 -0.28 -0.55 8.29 8.08 1v9pA1 TYR 271 HA -0.16 0.02 0.22 -0.75 4.56 3.88 1v9pA1 TYR 271 HB2 -0.08 -0.02 -0.10 -0.04 3.06 2.82 1v9pA1 TYR 271 HB3 -0.03 0.12 -0.03 -0.04 2.98 3.00 1v9pA1 TYR 271 HD2 -0.38 0.01 -0.17 -0.04 7.15 6.57 1v9pA1 TYR 271 HE2 -0.42 0.03 -0.30 -0.04 6.85 6.12 1v9pA1 ARG 272 H 0.16 0.38 -0.25 -0.55 8.46 8.21 1v9pA1 ARG 272 HA -0.16 -0.00 0.43 -0.75 4.34 3.86 1v9pA1 ARG 272 HB2 0.05 0.12 0.12 -0.04 1.90 2.15 1v9pA1 ARG 272 HB3 0.01 -0.01 0.00 -0.04 1.80 1.76 1v9pA1 ARG 272 HG2 0.26 -0.05 -0.03 -0.04 1.67 1.81 1v9pA1 ARG 272 HG3 0.26 0.16 0.08 -0.04 1.67 2.12 1v9pA1 ARG 272 HD2 0.04 -0.01 -0.00 -0.04 3.22 3.21 1v9pA1 ARG 272 HD3 0.09 -0.04 0.00 -0.04 3.22 3.23 1v9pA1 ARG 273 H 0.03 0.53 -0.13 -0.55 8.46 8.34 1v9pA1 ARG 273 HA 0.04 0.01 0.35 -0.75 4.34 3.99 1v9pA1 ARG 273 HB2 0.05 0.05 0.08 -0.04 1.90 2.03 1v9pA1 ARG 273 HB3 0.16 0.06 0.01 -0.04 1.80 1.99 1v9pA1 ARG 273 HG2 0.14 0.00 -0.02 -0.04 1.67 1.75 1v9pA1 ARG 273 HG3 0.06 -0.01 0.06 -0.04 1.67 1.74 1v9pA1 ARG 273 HD2 0.06 -0.01 -0.02 -0.04 3.22 3.21 1v9pA1 ARG 273 HD3 0.04 -0.02 -0.03 -0.04 3.22 3.18 1v9pA1 PHE 274 H 0.15 0.32 -0.80 -0.55 8.34 7.46 1v9pA1 PHE 274 HA -0.02 0.06 0.59 -0.75 4.62 4.50 1v9pA1 PHE 274 HB2 -0.08 0.31 0.20 -0.04 3.15 3.53 1v9pA1 PHE 274 HB3 0.08 -0.09 -0.09 -0.04 3.06 2.92 1v9pA1 PHE 274 HD2 -0.18 -0.05 -0.29 -0.04 7.28 6.72 1v9pA1 PHE 274 HE2 -0.27 -0.04 -0.29 -0.04 7.38 6.74 1v9pA1 PHE 274 HZ -0.10 -0.01 -0.28 -0.04 7.32 6.89 1v9pA1 LEU 275 H -0.25 0.75 0.27 -0.55 8.37 8.59 1v9pA1 LEU 275 HA -1.35 -0.00 0.37 -0.75 4.35 2.61 1v9pA1 LEU 275 HB2 -0.98 -0.02 0.08 -0.04 1.64 0.68 1v9pA1 LEU 275 HB3 -0.42 0.03 0.12 -0.04 1.64 1.33 1v9pA1 LEU 275 HG -0.35 0.03 -0.09 -0.04 1.64 1.18 1v9pA1 LEU 275 HD13 -0.79 -0.01 0.14 -0.04 0.93 0.23 1v9pA1 LEU 275 HD23 -0.19 -0.02 0.00 -0.04 0.89 0.65 1v9pA1 ALA 276 H -0.15 0.24 -1.09 -0.55 8.40 6.86 1v9pA1 ALA 276 HA -0.20 0.08 0.63 -0.75 4.34 4.11 1v9pA1 ALA 276 HB3 -0.08 0.03 0.02 -0.04 1.41 1.33 1v9pA1 GLN 277 H -0.14 1.11 0.07 -0.55 8.47 8.96 1v9pA1 GLN 277 HA -0.11 0.14 0.83 -0.75 4.36 4.47 1v9pA1 GLN 277 HB2 -0.10 0.07 0.15 -0.04 2.15 2.23 1v9pA1 GLN 277 HB3 -0.12 -0.09 0.16 -0.04 2.02 1.93 1v9pA1 GLN 277 HG2 -0.07 0.01 -0.06 -0.04 2.40 2.25 1v9pA1 GLN 277 HG3 -0.05 0.09 -0.11 -0.04 2.39 2.28 1v9pA1 GLN 277 HE21 0.01 -0.10 -0.01 -0.04 6.97 6.84 1v9pA1 GLN 277 HE22 0.02 0.38 0.08 -0.04 7.69 8.13 1v9pA1 ARG 278 H -0.27 0.27 -0.40 -0.55 8.46 7.51 1v9pA1 ARG 278 HA 0.03 0.02 0.35 -0.75 4.34 3.98 1v9pA1 ARG 278 HB2 -0.68 -0.05 0.15 -0.04 1.90 1.29 1v9pA1 ARG 278 HB3 -0.53 0.09 0.07 -0.04 1.80 1.39 1v9pA1 ARG 278 HG2 -0.02 0.02 -0.07 -0.04 1.67 1.56 1v9pA1 ARG 278 HG3 0.22 0.07 0.20 -0.04 1.67 2.12 1v9pA1 ARG 278 HD2 -0.42 -0.08 0.08 -0.04 3.22 2.76 1v9pA1 ARG 278 HD3 -0.34 0.04 0.06 -0.04 3.22 2.93 1v9pA1 HIS 279 H -0.11 0.06 -0.71 -0.55 8.41 7.10 1v9pA1 HIS 279 HA -0.09 0.19 0.86 -0.75 4.63 4.83 1v9pA1 HIS 279 HB2 -0.07 -0.02 0.02 -0.04 3.26 3.15 1v9pA1 HIS 279 HB3 -0.05 0.02 0.20 -0.04 3.20 3.33 1v9pA1 HIS 279 HD2 -0.04 -0.03 0.02 -0.04 6.97 6.86 1v9pA1 HIS 279 HE1 -0.01 -0.09 0.00 -0.04 7.75 7.61 1v9pA1 ALA 280 H -0.09 0.81 0.06 -0.55 8.40 8.64 1v9pA1 ALA 280 HA -0.05 0.19 0.88 -0.75 4.34 4.60 1v9pA1 ALA 280 HB3 -0.08 -0.00 0.15 -0.04 1.41 1.44 1v9pA1 LEU 281 H -0.19 0.11 -0.05 -0.55 8.37 7.69 1v9pA1 LEU 281 HA -0.26 0.22 0.83 -0.75 4.35 4.39 1v9pA1 LEU 281 HB2 -0.79 0.21 0.10 -0.04 1.64 1.13 1v9pA1 LEU 281 HB3 -1.08 -0.04 0.11 -0.04 1.64 0.59 1v9pA1 LEU 281 HG -0.34 0.16 0.04 -0.04 1.64 1.45 1v9pA1 LEU 281 HD13 -0.89 -0.02 -0.02 -0.04 0.93 -0.05 1v9pA1 LEU 281 HD23 -0.30 -0.04 -0.27 -0.04 0.89 0.23 1v9pA1 PRO 282 HA 0.02 0.11 0.48 -0.51 4.44 4.54 1v9pA1 PRO 282 HB2 0.17 -0.02 0.13 -0.04 2.28 2.52 1v9pA1 PRO 282 HB3 0.06 0.06 0.10 -0.04 2.02 2.21 1v9pA1 PRO 282 HG2 0.45 -0.00 -0.09 -0.04 2.03 2.35 1v9pA1 PRO 282 HG3 0.15 0.08 0.03 -0.04 2.03 2.25 1v9pA1 PRO 282 HD2 -0.19 0.07 0.19 -0.04 3.68 3.70 1v9pA1 PRO 282 HD3 -0.05 0.20 0.18 -0.04 3.65 3.93 1v9pA1 PHE 283 H -0.47 0.16 -0.89 -0.55 8.34 6.60 1v9pA1 PHE 283 HA 0.04 -0.10 0.63 -0.75 4.62 4.43 1v9pA1 PHE 283 HB2 -0.06 0.06 -0.10 -0.04 3.15 3.00 1v9pA1 PHE 283 HB3 0.16 0.07 -0.31 -0.04 3.06 2.94 1v9pA1 PHE 283 HD2 -0.10 0.12 -0.44 -0.04 7.28 6.82 1v9pA1 PHE 283 HE2 -0.13 0.02 -0.22 -0.04 7.38 7.01 1v9pA1 PHE 283 HZ -0.23 -0.11 -0.06 -0.04 7.32 6.87 1v9pA1 GLU 284 H 0.09 0.09 0.15 -0.55 8.60 8.39 1v9pA1 GLU 284 HA -0.04 0.21 0.53 -0.75 4.29 4.24 1v9pA1 GLU 284 HB2 -0.08 0.16 0.13 -0.04 2.09 2.26 1v9pA1 GLU 284 HB3 -0.03 -0.06 0.22 -0.04 1.99 2.07 1v9pA1 GLU 284 HG2 0.01 -0.09 -0.28 -0.04 2.34 1.93 1v9pA1 GLU 284 HG3 0.02 0.11 -0.16 -0.04 2.34 2.27 1v9pA1 ALA 285 H 0.04 0.40 0.26 -0.55 8.40 8.55 1v9pA1 ALA 285 HA 0.08 0.24 0.94 -0.75 4.34 4.85 1v9pA1 ALA 285 HB3 0.11 -0.02 0.02 -0.04 1.41 1.48 1v9pA1 ASP 286 H -0.05 0.23 0.11 -0.55 8.40 8.13 1v9pA1 ASP 286 HA 0.07 0.28 0.90 -0.75 4.63 5.12 1v9pA1 ASP 286 HB2 -0.04 -0.01 0.08 -0.04 2.71 2.70 1v9pA1 ASP 286 HB3 -0.04 0.01 0.20 -0.04 2.70 2.83 1v9pA1 GLY 287 H -0.66 0.28 -0.16 -0.55 8.43 7.34 1v9pA1 GLY 287 HA2 -1.70 0.01 0.42 -0.51 4.01 2.22 1v9pA1 GLY 287 HA3 -0.52 0.10 0.62 -0.51 4.01 3.70 1v9pA1 VAL 288 H -0.22 0.83 0.31 -0.55 8.24 8.61 1v9pA1 VAL 288 HA -0.05 0.09 0.66 -0.75 4.13 4.08 1v9pA1 VAL 288 HB -0.02 0.08 0.05 -0.04 2.12 2.19 1v9pA1 VAL 288 HG13 0.03 -0.02 -0.30 -0.04 0.97 0.64 1v9pA1 VAL 288 HG23 0.02 -0.01 -0.20 -0.04 0.95 0.73 1v9pA1 VAL 289 H 0.00 0.55 0.20 -0.55 8.24 8.44 1v9pA1 VAL 289 HA -0.10 0.19 1.34 -0.75 4.13 4.79 1v9pA1 VAL 289 HB -0.04 -0.00 0.03 -0.04 2.12 2.07 1v9pA1 VAL 289 HG13 -0.12 0.01 -0.27 -0.04 0.97 0.55 1v9pA1 VAL 289 HG23 -0.12 -0.02 -0.32 -0.04 0.95 0.46 1v9pA1 VAL 290 H -0.17 0.37 0.23 -0.55 8.24 8.12 1v9pA1 VAL 290 HA -0.10 0.07 0.52 -0.75 4.13 3.87 1v9pA1 VAL 290 HB -0.46 -0.06 0.12 -0.04 2.12 1.68 1v9pA1 VAL 290 HG13 -0.57 -0.01 -0.14 -0.04 0.97 0.21 1v9pA1 VAL 290 HG23 -0.18 0.01 -0.08 -0.04 0.95 0.66 1v9pA1 LYS 291 H 0.09 0.59 0.36 -0.55 8.42 8.91 1v9pA1 LYS 291 HA 0.04 0.17 1.21 -0.75 4.32 4.99 1v9pA1 LYS 291 HB2 0.22 0.03 0.17 -0.04 1.87 2.25 1v9pA1 LYS 291 HB3 0.39 0.08 -0.05 -0.04 1.79 2.17 1v9pA1 LYS 291 HG2 0.03 -0.03 -0.09 -0.04 1.46 1.33 1v9pA1 LYS 291 HG3 0.03 0.01 -0.28 -0.04 1.46 1.18 1v9pA1 LYS 291 HD2 0.19 -0.01 -0.07 -0.04 1.69 1.76 1v9pA1 LYS 291 HD3 0.43 -0.01 -0.06 -0.04 1.68 2.00 1v9pA1 LYS 291 HE2 -0.04 -0.02 -0.13 -0.04 2.99 2.75 1v9pA1 LYS 291 HE3 0.13 0.06 -0.10 -0.04 2.99 3.03 1v9pA1 LEU 292 H 0.24 0.98 0.38 -0.55 8.37 9.42 1v9pA1 LEU 292 HA 0.56 -0.01 0.44 -0.75 4.35 4.59 1v9pA1 LEU 292 HB2 0.20 0.30 0.31 -0.04 1.64 2.41 1v9pA1 LEU 292 HB3 0.23 -0.05 0.05 -0.04 1.64 1.83 1v9pA1 LEU 292 HG 0.02 -0.03 0.06 -0.04 1.64 1.65 1v9pA1 LEU 292 HD13 -0.18 0.03 0.02 -0.04 0.93 0.75 1v9pA1 LEU 292 HD23 0.01 -0.02 0.07 -0.04 0.89 0.91 1v9pA1 ASP 293 H 0.18 0.53 0.39 -0.55 8.40 8.96 1v9pA1 ASP 293 HA 0.32 0.17 0.69 -0.75 4.63 5.06 1v9pA1 ASP 293 HB2 0.21 0.02 -0.21 -0.04 2.71 2.69 1v9pA1 ASP 293 HB3 0.12 0.09 -0.04 -0.04 2.70 2.83 1v9pA1 ASP 294 H 0.18 0.16 -0.11 -0.55 8.40 8.07 1v9pA1 ASP 294 HA -0.01 0.17 0.83 -0.75 4.63 4.87 1v9pA1 ASP 294 HB2 0.04 0.03 0.10 -0.04 2.71 2.84 1v9pA1 ASP 294 HB3 0.07 0.04 0.19 -0.04 2.70 2.95 1v9pA1 LEU 295 H -0.28 0.62 0.36 -0.55 8.37 8.52 1v9pA1 LEU 295 HA -1.92 0.07 0.25 -0.75 4.35 2.00 1v9pA1 LEU 295 HB2 -0.41 0.18 -0.03 -0.04 1.64 1.33 1v9pA1 LEU 295 HB3 -0.61 0.00 -0.14 -0.04 1.64 0.84 1v9pA1 LEU 295 HG -1.13 0.02 -0.16 -0.04 1.64 0.33 1v9pA1 LEU 295 HD13 -0.80 0.02 -0.16 -0.04 0.93 -0.05 1v9pA1 LEU 295 HD23 -0.35 -0.03 -0.69 -0.04 0.89 -0.22 1v9pA1 ALA 296 H -0.16 0.15 -0.17 -0.55 8.40 7.67 1v9pA1 ALA 296 HA -0.10 0.09 0.45 -0.75 4.34 4.03 1v9pA1 ALA 296 HB3 -0.06 0.01 0.07 -0.04 1.41 1.40 1v9pA1 LEU 297 H 0.03 0.26 -0.30 -0.55 8.37 7.81 1v9pA1 LEU 297 HA 0.02 0.09 0.56 -0.75 4.35 4.27 1v9pA1 LEU 297 HB2 0.02 -0.09 0.08 -0.04 1.64 1.61 1v9pA1 LEU 297 HB3 0.06 0.07 0.07 -0.04 1.64 1.80 1v9pA1 LEU 297 HG -0.03 0.00 0.14 -0.04 1.64 1.71 1v9pA1 LEU 297 HD13 -0.00 0.01 0.01 -0.04 0.93 0.90 1v9pA1 LEU 297 HD23 -0.08 0.00 0.01 -0.04 0.89 0.77 1v9pA1 TRP 298 H 0.15 0.38 -0.72 -0.55 7.97 7.23 1v9pA1 TRP 298 HA -0.39 0.04 0.56 -0.75 4.62 4.07 1v9pA1 TRP 298 HB2 -0.32 0.33 0.17 -0.04 3.23 3.37 1v9pA1 TRP 298 HB3 -0.70 -0.02 -0.05 -0.04 3.23 2.42 1v9pA1 TRP 298 HD1 -0.21 0.11 -0.29 -0.04 7.22 6.79 1v9pA1 TRP 298 HE1 -0.02 0.18 -0.42 -0.04 10.20 9.90 1v9pA1 TRP 298 HE3 -0.53 0.03 -0.05 -0.04 7.59 7.00 1v9pA1 TRP 298 HZ2 0.11 0.06 -0.09 -0.04 7.44 7.48 1v9pA1 TRP 298 HZ3 0.09 0.02 -0.04 -0.04 7.13 7.16 1v9pA1 TRP 298 HH2 0.15 0.02 -0.05 -0.04 7.19 7.27 1v9pA1 ARG 299 H 0.06 0.15 -0.03 -0.55 8.46 8.09 1v9pA1 ARG 299 HA 0.08 0.08 0.40 -0.75 4.34 4.15 1v9pA1 ARG 299 HB2 0.02 0.01 0.16 -0.04 1.90 2.05 1v9pA1 ARG 299 HB3 0.04 0.01 -0.02 -0.04 1.80 1.78 1v9pA1 ARG 299 HG2 0.06 0.01 0.03 -0.04 1.67 1.72 1v9pA1 ARG 299 HG3 0.04 -0.02 0.05 -0.04 1.67 1.70 1v9pA1 ARG 299 HD2 0.00 -0.05 0.02 -0.04 3.22 3.15 1v9pA1 ARG 299 HD3 -0.01 0.03 0.06 -0.04 3.22 3.27 1v9pA1 GLU 300 H 0.02 0.05 -0.14 -0.55 8.60 7.98 1v9pA1 GLU 300 HA 0.01 -0.01 0.29 -0.75 4.29 3.83 1v9pA1 GLU 300 HB2 -0.00 0.01 0.04 -0.04 2.09 2.09 1v9pA1 GLU 300 HB3 -0.01 0.02 -0.03 -0.04 1.99 1.93 1v9pA1 GLU 300 HG2 -0.00 0.00 0.02 -0.04 2.34 2.32 1v9pA1 GLU 300 HG3 0.01 -0.01 0.04 -0.04 2.34 2.33 1v9pA1 LEU 301 H -0.01 0.14 -0.39 -0.55 8.37 7.57 1v9pA1 LEU 301 HA -0.03 -0.04 0.50 -0.75 4.35 4.03 1v9pA1 LEU 301 HB2 -0.01 0.10 0.19 -0.04 1.64 1.88 1v9pA1 LEU 301 HB3 -0.01 -0.13 0.02 -0.04 1.64 1.49 1v9pA1 LEU 301 HG -0.06 -0.03 0.03 -0.04 1.64 1.54 1v9pA1 LEU 301 HD13 -0.08 0.07 0.05 -0.04 0.93 0.94 1v9pA1 LEU 301 HD23 -0.12 -0.01 -0.03 -0.04 0.89 0.69 1v9pA1 GLY 302 H -0.03 0.00 0.16 -0.55 8.43 8.02 1v9pA1 GLY 302 HA2 0.06 0.30 0.80 -0.51 4.01 4.66 1v9pA1 GLY 302 HA3 0.04 -0.00 0.40 -0.51 4.01 3.94 1v9pA1 TYR 303 H 0.20 0.25 0.23 -0.55 8.29 8.41 1v9pA1 TYR 303 HA -0.24 0.05 0.99 -0.75 4.56 4.60 1v9pA1 TYR 303 HB2 -0.21 0.01 0.06 -0.04 3.06 2.89 1v9pA1 TYR 303 HB3 -0.70 0.02 -0.10 -0.04 2.98 2.16 1v9pA1 TYR 303 HD2 -0.65 -0.03 -0.15 -0.04 7.15 6.27 1v9pA1 TYR 303 HE2 0.05 -0.00 -0.07 -0.04 6.85 6.79 1v9pA1 THR 304 H -0.05 0.75 0.26 -0.55 8.28 8.69 1v9pA1 THR 304 HA 0.02 0.13 0.55 -0.75 4.39 4.33 1v9pA1 THR 304 HB 0.01 -0.05 0.18 -0.04 4.32 4.42 1v9pA1 THR 304 HG23 -0.04 0.06 -0.04 -0.04 1.22 1.15 1v9pA1 ALA 305 H 0.04 0.10 0.13 -0.55 8.40 8.12 1v9pA1 ALA 305 HA 0.08 0.11 0.37 -0.75 4.34 4.15 1v9pA1 ALA 305 HB3 0.04 -0.00 0.10 -0.04 1.41 1.51 1v9pA1 ARG 306 H 0.09 -0.02 -0.22 -0.55 8.46 7.76 1v9pA1 ARG 306 HA 0.34 0.24 0.66 -0.75 4.34 4.83 1v9pA1 ARG 306 HB2 0.07 -0.08 -0.03 -0.04 1.90 1.82 1v9pA1 ARG 306 HB3 0.10 -0.00 0.21 -0.04 1.80 2.06 1v9pA1 ARG 306 HG2 0.04 0.06 0.06 -0.04 1.67 1.79 1v9pA1 ARG 306 HG3 0.07 0.10 -0.35 -0.04 1.67 1.45 1v9pA1 ARG 306 HD2 0.03 -0.01 0.00 -0.04 3.22 3.21 1v9pA1 ARG 306 HD3 0.02 0.03 -0.01 -0.04 3.22 3.22 1v9pA1 ALA 307 H 0.07 0.25 -0.12 -0.55 8.40 8.06 1v9pA1 ALA 307 HA 0.03 0.41 0.65 -0.75 4.34 4.68 1v9pA1 ALA 307 HB3 -0.04 -0.00 -0.09 -0.04 1.41 1.24 1v9pA1 PRO 308 HA -0.70 0.19 0.73 -0.51 4.44 4.15 1v9pA1 PRO 308 HB2 -2.02 -0.10 0.07 -0.04 2.28 0.19 1v9pA1 PRO 308 HB3 -0.77 0.07 0.04 -0.04 2.02 1.32 1v9pA1 PRO 308 HG2 -0.58 0.05 -0.06 -0.04 2.03 1.39 1v9pA1 PRO 308 HG3 -0.44 0.04 -0.09 -0.04 2.03 1.50 1v9pA1 PRO 308 HD2 -0.18 0.07 0.30 -0.04 3.68 3.83 1v9pA1 PRO 308 HD3 -0.09 0.17 0.04 -0.04 3.65 3.72 1v9pA1 ARG 309 H -0.68 0.26 0.27 -0.55 8.46 7.76 1v9pA1 ARG 309 HA -0.16 0.19 0.96 -0.75 4.34 4.58 1v9pA1 ARG 309 HB2 -0.16 0.13 0.09 -0.04 1.90 1.91 1v9pA1 ARG 309 HB3 -0.15 -0.03 0.03 -0.04 1.80 1.61 1v9pA1 ARG 309 HG2 -0.10 -0.05 -0.06 -0.04 1.67 1.42 1v9pA1 ARG 309 HG3 -0.16 -0.04 -0.32 -0.04 1.67 1.11 1v9pA1 ARG 309 HD2 -0.08 0.01 -0.14 -0.04 3.22 2.96 1v9pA1 ARG 309 HD3 -0.08 0.00 -0.03 -0.04 3.22 3.07 1v9pA1 PHE 310 H -1.02 0.06 0.15 -0.55 8.34 6.98 1v9pA1 PHE 310 HA -0.20 0.13 0.59 -0.75 4.62 4.39 1v9pA1 PHE 310 HB2 -0.66 -0.06 0.12 -0.04 3.15 2.51 1v9pA1 PHE 310 HB3 -0.45 0.12 0.11 -0.04 3.06 2.80 1v9pA1 PHE 310 HD2 -1.06 0.05 -0.09 -0.04 7.28 6.14 1v9pA1 PHE 310 HE2 -1.34 0.05 -0.07 -0.04 7.38 5.98 1v9pA1 PHE 310 HZ -0.46 0.02 -0.05 -0.04 7.32 6.78 1v9pA1 ALA 311 H -0.68 0.16 -0.40 -0.55 8.40 6.94 1v9pA1 ALA 311 HA -0.17 0.27 0.96 -0.75 4.34 4.66 1v9pA1 ALA 311 HB3 -0.43 -0.00 -0.07 -0.04 1.41 0.86 1v9pA1 LEU 312 H -0.36 0.65 0.30 -0.55 8.37 8.41 1v9pA1 LEU 312 HA -0.43 0.10 0.68 -0.75 4.35 3.94 1v9pA1 LEU 312 HB2 -1.73 0.13 -0.28 -0.04 1.64 -0.28 1v9pA1 LEU 312 HB3 -1.06 -0.07 -0.08 -0.04 1.64 0.40 1v9pA1 LEU 312 HG -0.44 0.01 -0.22 -0.04 1.64 0.94 1v9pA1 LEU 312 HD13 -0.36 0.06 -0.05 -0.04 0.93 0.54 1v9pA1 LEU 312 HD23 -0.81 -0.04 -0.11 -0.04 0.89 -0.11 1v9pA1 ALA 313 H -0.26 0.60 0.26 -0.55 8.40 8.45 1v9pA1 ALA 313 HA -0.16 0.22 1.15 -0.75 4.34 4.81 1v9pA1 ALA 313 HB3 -0.14 0.02 -0.05 -0.04 1.41 1.19 1v9pA1 TYR 314 H -0.02 0.41 0.20 -0.55 8.29 8.32 1v9pA1 TYR 314 HA -0.19 0.09 0.65 -0.75 4.56 4.37 1v9pA1 TYR 314 HB2 -0.16 -0.08 -0.04 -0.04 3.06 2.73 1v9pA1 TYR 314 HB3 0.01 -0.03 0.07 -0.04 2.98 2.98 1v9pA1 TYR 314 HD2 -0.11 0.08 -0.18 -0.04 7.15 6.89 1v9pA1 TYR 314 HE2 -0.29 0.02 -0.36 -0.04 6.85 6.18 1v9pA1 LYS 315 H -0.12 0.55 0.33 -0.55 8.42 8.63 1v9pA1 LYS 315 HA -0.29 -0.03 1.07 -0.75 4.32 4.32 1v9pA1 LYS 315 HB2 -0.75 -0.01 0.12 -0.04 1.87 1.19 1v9pA1 LYS 315 HB3 -0.27 0.21 0.15 -0.04 1.79 1.83 1v9pA1 LYS 315 HG2 -0.23 -0.12 -0.34 -0.04 1.46 0.73 1v9pA1 LYS 315 HG3 -0.38 0.00 -0.01 -0.04 1.46 1.03 1v9pA1 LYS 315 HD2 -0.17 0.03 -0.12 -0.04 1.69 1.40 1v9pA1 LYS 315 HD3 -0.13 -0.05 -0.11 -0.04 1.68 1.34 1v9pA1 LYS 315 HE2 -0.14 -0.05 -0.03 -0.04 2.99 2.73 1v9pA1 LYS 315 HE3 -0.17 0.11 -0.00 -0.04 2.99 2.89 1v9pA1 PHE 316 H -0.30 0.33 0.20 -0.55 8.34 8.01 1v9pA1 PHE 316 HA -0.02 0.02 0.38 -0.75 4.62 4.24 1v9pA1 PHE 316 HB2 -0.03 0.02 -0.05 -0.04 3.15 3.05 1v9pA1 PHE 316 HB3 -0.05 0.08 0.08 -0.04 3.06 3.12 1v9pA1 PHE 316 HD2 -0.25 0.05 -0.02 -0.04 7.28 7.01 1v9pA1 PHE 316 HE2 -0.34 0.06 -0.03 -0.04 7.38 7.03 1v9pA1 PHE 316 HZ -0.04 -0.02 -0.23 -0.04 7.32 6.99 1v9pA1 PRO 317 HA 0.22 0.03 0.56 -0.51 4.44 4.75 1v9pA1 PRO 317 HB2 0.12 0.04 -0.01 -0.04 2.28 2.39 1v9pA1 PRO 317 HB3 0.16 0.01 0.14 -0.04 2.02 2.28 1v9pA1 PRO 317 HG2 0.06 0.02 0.11 -0.04 2.03 2.18 1v9pA1 PRO 317 HG3 0.07 0.01 0.09 -0.04 2.03 2.16 1v9pA1 PRO 317 HD2 0.05 0.07 0.23 -0.04 3.68 3.99 1v9pA1 PRO 317 HD3 0.20 0.11 0.18 -0.04 3.65 4.10 1v9pA1 ALA 318 H 0.21 0.08 0.20 -0.55 8.40 8.35 1v9pA1 ALA 318 HA 0.14 0.06 0.49 -0.75 4.34 4.28 1v9pA1 ALA 318 HB3 0.16 0.00 0.09 -0.04 1.41 1.62 1v9pA1 GLU 319 H 0.12 0.17 0.16 -0.55 8.60 8.51 1v9pA1 GLU 319 HA 0.10 0.12 0.69 -0.75 4.29 4.44 1v9pA1 GLU 319 HB2 0.11 0.05 0.18 -0.04 2.09 2.39 1v9pA1 GLU 319 HB3 0.10 -0.04 0.19 -0.04 1.99 2.19 1v9pA1 GLU 319 HG2 0.09 0.06 -0.08 -0.04 2.34 2.37 1v9pA1 GLU 319 HG3 0.08 -0.08 -0.05 -0.04 2.34 2.26 1v9pA1 GLU 320 H 0.10 0.42 0.13 -0.55 8.60 8.71 1v9pA1 GLU 320 HA 0.12 0.26 0.85 -0.75 4.29 4.77 1v9pA1 GLU 320 HB2 0.09 -0.01 -0.03 -0.04 2.09 2.10 1v9pA1 GLU 320 HB3 0.08 -0.02 -0.11 -0.04 1.99 1.91 1v9pA1 GLU 320 HG2 0.11 0.04 -0.08 -0.04 2.34 2.37 1v9pA1 GLU 320 HG3 0.11 -0.06 -0.39 -0.04 2.34 1.96 1v9pA1 LYS 321 H 0.11 0.55 0.26 -0.55 8.42 8.78 1v9pA1 LYS 321 HA 0.09 0.09 0.84 -0.75 4.32 4.58 1v9pA1 LYS 321 HB2 0.10 0.00 -0.01 -0.04 1.87 1.92 1v9pA1 LYS 321 HB3 0.11 0.07 0.06 -0.04 1.79 1.99 1v9pA1 LYS 321 HG2 0.11 0.02 0.10 -0.04 1.46 1.66 1v9pA1 LYS 321 HG3 0.09 0.02 0.19 -0.04 1.46 1.72 1v9pA1 LYS 321 HD2 0.10 -0.30 -1.01 -0.04 1.69 0.44 1v9pA1 LYS 321 HD3 0.10 0.08 -0.05 -0.04 1.68 1.77 1v9pA1 LYS 321 HE2 0.09 -0.11 0.06 -0.04 2.99 2.98 1v9pA1 LYS 321 HE3 0.10 -0.03 0.05 -0.04 2.99 3.06 1v9pA1 GLU 322 H 0.12 0.11 0.20 -0.55 8.60 8.49 1v9pA1 GLU 322 HA 0.17 0.21 0.78 -0.75 4.29 4.70 1v9pA1 GLU 322 HB2 0.20 0.00 0.03 -0.04 2.09 2.28 1v9pA1 GLU 322 HB3 0.24 0.01 0.03 -0.04 1.99 2.23 1v9pA1 GLU 322 HG2 0.09 -0.02 -0.07 -0.04 2.34 2.30 1v9pA1 GLU 322 HG3 0.08 -0.01 0.08 -0.04 2.34 2.45 1v9pA1 THR 323 H 0.27 0.56 0.43 -0.55 8.28 8.99 1v9pA1 THR 323 HA 0.14 0.07 0.48 -0.75 4.39 4.32 1v9pA1 THR 323 HB 0.07 0.12 -0.06 -0.04 4.32 4.41 1v9pA1 THR 323 HG23 0.02 0.01 -0.21 -0.04 1.22 1.00 1v9pA1 ARG 324 H -0.37 0.16 0.23 -0.55 8.46 7.92 1v9pA1 ARG 324 HA -0.45 0.17 1.14 -0.75 4.34 4.45 1v9pA1 ARG 324 HB2 -1.79 -0.07 0.01 -0.04 1.90 0.01 1v9pA1 ARG 324 HB3 -0.63 -0.07 0.08 -0.04 1.80 1.15 1v9pA1 ARG 324 HG2 -0.36 0.05 -0.36 -0.04 1.67 0.96 1v9pA1 ARG 324 HG3 -0.57 0.31 -0.07 -0.04 1.67 1.30 1v9pA1 ARG 324 HD2 -0.82 -0.08 -0.01 -0.04 3.22 2.27 1v9pA1 ARG 324 HD3 -0.43 -0.10 -0.03 -0.04 3.22 2.61 1v9pA1 LEU 325 H -0.18 0.89 0.25 -0.55 8.37 8.79 1v9pA1 LEU 325 HA -0.10 -0.02 0.60 -0.75 4.35 4.07 1v9pA1 LEU 325 HB2 -0.04 -0.12 -0.01 -0.04 1.64 1.43 1v9pA1 LEU 325 HB3 -0.06 0.36 0.16 -0.04 1.64 2.06 1v9pA1 LEU 325 HG -0.06 -0.12 -0.14 -0.04 1.64 1.29 1v9pA1 LEU 325 HD13 -0.01 0.05 -0.08 -0.04 0.93 0.84 1v9pA1 LEU 325 HD23 -0.09 -0.02 -0.37 -0.04 0.89 0.37 1v9pA1 LEU 326 H -0.12 0.49 0.21 -0.55 8.37 8.40 1v9pA1 LEU 326 HA -0.12 0.12 0.68 -0.75 4.35 4.27 1v9pA1 LEU 326 HB2 -0.10 0.11 0.17 -0.04 1.64 1.79 1v9pA1 LEU 326 HB3 -0.09 -0.07 -0.03 -0.04 1.64 1.41 1v9pA1 LEU 326 HG -0.15 0.02 -0.18 -0.04 1.64 1.29 1v9pA1 LEU 326 HD13 -0.09 0.01 -0.08 -0.04 0.93 0.72 1v9pA1 LEU 326 HD23 -0.15 -0.00 -0.12 -0.04 0.89 0.57 1v9pA1 ASP 327 H -0.10 0.43 0.31 -0.55 8.40 8.48 1v9pA1 ASP 327 HA -0.08 0.16 0.79 -0.75 4.63 4.74 1v9pA1 ASP 327 HB2 -0.07 0.01 -0.10 -0.04 2.71 2.50 1v9pA1 ASP 327 HB3 -0.09 -0.01 0.02 -0.04 2.70 2.58 1v9pA1 VAL 328 H -0.15 0.28 0.15 -0.55 8.24 7.97 1v9pA1 VAL 328 HA -0.23 0.15 0.98 -0.75 4.13 4.27 1v9pA1 VAL 328 HB -0.20 0.02 -0.11 -0.04 2.12 1.79 1v9pA1 VAL 328 HG13 -0.20 -0.01 -0.03 -0.04 0.97 0.69 1v9pA1 VAL 328 HG23 -0.59 0.01 -0.28 -0.04 0.95 0.04 1v9pA1 VAL 329 H -0.32 0.63 0.30 -0.55 8.24 8.31 1v9pA1 VAL 329 HA -0.31 0.19 1.01 -0.75 4.13 4.26 1v9pA1 VAL 329 HB -0.12 0.02 0.10 -0.04 2.12 2.07 1v9pA1 VAL 329 HG13 -0.12 -0.00 -0.14 -0.04 0.97 0.66 1v9pA1 VAL 329 HG23 -0.16 0.02 -0.15 -0.04 0.95 0.62 1v9pA1 PHE 330 H -0.06 0.15 0.19 -0.55 8.34 8.06 1v9pA1 PHE 330 HA -0.21 0.28 1.16 -0.75 4.62 5.09 1v9pA1 PHE 330 HB2 -0.17 -0.07 0.09 -0.04 3.15 2.96 1v9pA1 PHE 330 HB3 -0.20 0.09 -0.01 -0.04 3.06 2.90 1v9pA1 PHE 330 HD2 -0.44 0.12 -0.12 -0.04 7.28 6.81 1v9pA1 PHE 330 HE2 -1.41 0.04 -0.12 -0.04 7.38 5.85 1v9pA1 PHE 330 HZ -0.89 -0.05 -0.38 -0.04 7.32 5.96 1v9pA1 GLN 331 H 0.08 0.73 0.28 -0.55 8.47 9.01 1v9pA1 GLN 331 HA 0.03 0.14 0.78 -0.75 4.36 4.56 1v9pA1 GLN 331 HB2 0.00 -0.00 -0.09 -0.04 2.15 2.02 1v9pA1 GLN 331 HB3 0.01 -0.00 0.01 -0.04 2.02 1.99 1v9pA1 GLN 331 HG2 -0.02 0.04 -0.08 -0.04 2.40 2.30 1v9pA1 GLN 331 HG3 -0.04 -0.04 -0.64 -0.04 2.39 1.62 1v9pA1 GLN 331 HE21 -0.06 -0.00 -0.13 -0.04 6.97 6.74 1v9pA1 GLN 331 HE22 -0.06 0.00 -0.17 -0.04 7.69 7.42 1v9pA1 VAL 332 H 0.03 0.24 0.14 -0.55 8.24 8.10 1v9pA1 VAL 332 HA 0.08 0.23 1.02 -0.75 4.13 4.71 1v9pA1 VAL 332 HB 0.06 -0.03 -0.09 -0.04 2.12 2.02 1v9pA1 VAL 332 HG13 0.04 -0.02 0.05 -0.04 0.97 1.00 1v9pA1 VAL 332 HG23 0.05 0.11 -0.24 -0.04 0.95 0.82 1v9pA1 GLY 333 H 0.06 0.59 0.10 -0.55 8.43 8.63 1v9pA1 GLY 333 HA2 0.03 0.14 0.46 -0.51 4.01 4.13 1v9pA1 GLY 333 HA3 0.04 -0.02 0.39 -0.51 4.01 3.91 1v9pA1 ARG 334 H 0.04 0.14 0.18 -0.55 8.46 8.27 1v9pA1 ARG 334 HA 0.07 0.52 0.58 -0.75 4.34 4.76 1v9pA1 ARG 334 HB2 0.15 -0.02 0.07 -0.04 1.90 2.06 1v9pA1 ARG 334 HB3 0.10 0.04 0.14 -0.04 1.80 2.05 1v9pA1 ARG 334 HG2 0.05 0.04 0.07 -0.04 1.67 1.78 1v9pA1 ARG 334 HG3 0.04 -0.14 0.21 -0.04 1.67 1.75 1v9pA1 ARG 334 HD2 0.07 0.03 -0.10 -0.04 3.22 3.17 1v9pA1 ARG 334 HD3 0.11 0.02 -0.02 -0.04 3.22 3.29 1v9pA1 THR 335 H 0.04 -0.10 -0.33 -0.55 8.28 7.35 1v9pA1 THR 335 HA 0.02 0.25 0.73 -0.75 4.39 4.63 1v9pA1 THR 335 HB 0.02 0.00 0.01 -0.04 4.32 4.32 1v9pA1 THR 335 HG23 0.03 -0.13 -0.06 -0.04 1.22 1.02 1v9pA1 GLY 336 H 0.04 0.05 -0.34 -0.55 8.43 7.63 1v9pA1 GLY 336 HA2 0.03 0.05 0.19 -0.51 4.01 3.77 1v9pA1 GLY 336 HA3 0.02 0.33 0.83 -0.51 4.01 4.68 1v9pA1 ARG 337 H 0.04 0.04 -0.17 -0.55 8.46 7.82 1v9pA1 ARG 337 HA 0.08 0.19 0.42 -0.75 4.34 4.28 1v9pA1 ARG 337 HB2 0.05 0.05 0.06 -0.04 1.90 2.02 1v9pA1 ARG 337 HB3 0.07 -0.15 0.11 -0.04 1.80 1.79 1v9pA1 ARG 337 HG2 0.14 -0.02 -0.31 -0.04 1.67 1.45 1v9pA1 ARG 337 HG3 0.10 0.10 -0.06 -0.04 1.67 1.77 1v9pA1 ARG 337 HD2 0.08 0.08 -0.02 -0.04 3.22 3.32 1v9pA1 ARG 337 HD3 0.05 0.04 0.03 -0.04 3.22 3.30 1v9pA1 VAL 338 H 0.19 0.55 0.36 -0.55 8.24 8.78 1v9pA1 VAL 338 HA 0.14 0.12 0.91 -0.75 4.13 4.54 1v9pA1 VAL 338 HB 0.40 -0.05 0.12 -0.04 2.12 2.54 1v9pA1 VAL 338 HG13 0.01 0.01 -0.11 -0.04 0.97 0.84 1v9pA1 VAL 338 HG23 0.12 -0.02 -0.04 -0.04 0.95 0.96 1v9pA1 THR 339 H 0.13 0.19 0.26 -0.55 8.28 8.32 1v9pA1 THR 339 HA 0.25 0.13 0.50 -0.75 4.39 4.51 1v9pA1 THR 339 HB 0.06 -0.12 -0.03 -0.04 4.32 4.18 1v9pA1 THR 339 HG23 0.01 0.04 -0.11 -0.04 1.22 1.12 1v9pA1 PRO 340 HA -0.40 0.22 0.84 -0.51 4.44 4.59 1v9pA1 PRO 340 HB2 -0.21 0.00 -0.09 -0.04 2.28 1.94 1v9pA1 PRO 340 HB3 -0.24 0.06 -0.10 -0.04 2.02 1.70 1v9pA1 PRO 340 HG2 0.05 -0.22 -0.07 -0.04 2.03 1.75 1v9pA1 PRO 340 HG3 0.34 -0.08 -0.37 -0.04 2.03 1.88 1v9pA1 PRO 340 HD2 0.13 0.49 0.26 -0.04 3.68 4.52 1v9pA1 PRO 340 HD3 0.40 0.10 0.17 -0.04 3.65 4.27 1v9pA1 VAL 341 H -0.46 0.70 0.25 -0.55 8.24 8.18 1v9pA1 VAL 341 HA -0.17 0.05 0.99 -0.75 4.13 4.24 1v9pA1 VAL 341 HB -0.20 0.02 -0.03 -0.04 2.12 1.88 1v9pA1 VAL 341 HG13 -0.13 -0.01 -0.38 -0.04 0.97 0.41 1v9pA1 VAL 341 HG23 -0.11 -0.01 -0.33 -0.04 0.95 0.46 1v9pA1 GLY 342 H -0.15 0.77 0.24 -0.55 8.43 8.75 1v9pA1 GLY 342 HA2 -0.17 0.07 0.78 -0.51 4.01 4.19 1v9pA1 GLY 342 HA3 -0.11 0.01 0.29 -0.51 4.01 3.69 1v9pA1 VAL 343 H -0.13 0.73 0.40 -0.55 8.24 8.69 1v9pA1 VAL 343 HA -0.10 0.16 1.02 -0.75 4.13 4.46 1v9pA1 VAL 343 HB -0.10 -0.09 0.21 -0.04 2.12 2.10 1v9pA1 VAL 343 HG13 -0.08 0.02 -0.02 -0.04 0.97 0.85 1v9pA1 VAL 343 HG23 -0.11 -0.01 -0.09 -0.04 0.95 0.69 1v9pA1 LEU 344 H -0.08 0.26 0.00 -0.55 8.37 8.00 1v9pA1 LEU 344 HA -0.10 0.09 0.72 -0.75 4.35 4.31 1v9pA1 LEU 344 HB2 -0.07 0.04 -0.26 -0.04 1.64 1.31 1v9pA1 LEU 344 HB3 -0.07 0.01 -0.02 -0.04 1.64 1.52 1v9pA1 LEU 344 HG -0.07 -0.01 -0.27 -0.04 1.64 1.26 1v9pA1 LEU 344 HD13 -0.03 -0.02 -0.29 -0.04 0.93 0.55 1v9pA1 LEU 344 HD23 -0.05 -0.02 -0.29 -0.04 0.89 0.49 1v9pA1 GLU 345 H -0.12 0.34 0.26 -0.55 8.60 8.53 1v9pA1 GLU 345 HA -0.08 0.08 0.58 -0.75 4.29 4.12 1v9pA1 GLU 345 HB2 -0.19 -0.01 0.17 -0.04 2.09 2.02 1v9pA1 GLU 345 HB3 -0.13 -0.15 0.22 -0.04 1.99 1.88 1v9pA1 GLU 345 HG2 -0.09 -0.08 0.04 -0.04 2.34 2.17 1v9pA1 GLU 345 HG3 -0.03 0.17 -0.08 -0.04 2.34 2.35 1v9pA1 PRO 346 HA -0.08 0.15 0.38 -0.51 4.44 4.39 1v9pA1 PRO 346 HB2 0.04 -0.05 0.10 -0.04 2.28 2.33 1v9pA1 PRO 346 HB3 -0.03 0.01 0.01 -0.04 2.02 1.97 1v9pA1 PRO 346 HG2 -0.01 -0.02 0.08 -0.04 2.03 2.04 1v9pA1 PRO 346 HG3 -0.04 0.05 0.09 -0.04 2.03 2.09 1v9pA1 PRO 346 HD2 -0.02 0.02 0.20 -0.04 3.68 3.84 1v9pA1 PRO 346 HD3 -0.05 0.20 0.30 -0.04 3.65 4.06 1v9pA1 VAL 347 H -0.11 0.69 0.33 -0.55 8.24 8.60 1v9pA1 VAL 347 HA 0.17 0.15 0.89 -0.75 4.13 4.59 1v9pA1 VAL 347 HB 0.03 0.16 -0.07 -0.04 2.12 2.19 1v9pA1 VAL 347 HG13 0.01 -0.00 -0.25 -0.04 0.97 0.69 1v9pA1 VAL 347 HG23 0.13 -0.06 0.08 -0.04 0.95 1.06 1v9pA1 PHE 348 H 0.25 0.20 0.13 -0.55 8.34 8.37 1v9pA1 PHE 348 HA 0.02 0.26 1.08 -0.75 4.62 5.22 1v9pA1 PHE 348 HB2 0.03 -0.01 0.02 -0.04 3.15 3.14 1v9pA1 PHE 348 HB3 0.02 -0.11 -0.18 -0.04 3.06 2.75 1v9pA1 PHE 348 HD2 0.01 -0.08 -0.33 -0.04 7.28 6.84 1v9pA1 PHE 348 HE2 0.00 0.06 -0.11 -0.04 7.38 7.28 1v9pA1 PHE 348 HZ 0.00 -0.02 -0.07 -0.04 7.32 7.20 1v9pA1 ILE 349 H 0.03 0.63 -0.05 -0.55 8.25 8.31 1v9pA1 ILE 349 HA 0.10 0.08 0.68 -0.75 4.18 4.28 1v9pA1 ILE 349 HB 0.01 0.05 0.01 -0.04 1.89 1.92 1v9pA1 ILE 349 HG12 0.08 0.02 -0.20 -0.04 1.49 1.35 1v9pA1 ILE 349 HG13 0.05 -0.10 -0.84 -0.04 1.21 0.28 1v9pA1 ILE 349 HG23 0.06 -0.01 -0.19 -0.04 0.93 0.75 1v9pA1 ILE 349 HD13 0.03 0.00 -0.25 -0.04 0.88 0.62 1v9pA1 GLU 350 H 0.09 0.15 0.02 -0.55 8.60 8.31 1v9pA1 GLU 350 HA 0.06 0.03 0.32 -0.75 4.29 3.94 1v9pA1 GLU 350 HB2 0.06 0.27 0.08 -0.04 2.09 2.47 1v9pA1 GLU 350 HB3 0.04 0.01 0.25 -0.04 1.99 2.25 1v9pA1 GLU 350 HG2 0.04 0.00 0.02 -0.04 2.34 2.36 1v9pA1 GLU 350 HG3 0.08 -0.06 -0.18 -0.04 2.34 2.13 1v9pA1 GLY 351 H 0.16 0.05 -0.17 -0.55 8.43 7.92 1v9pA1 GLY 351 HA2 0.23 -0.02 0.27 -0.51 4.01 3.98 1v9pA1 GLY 351 HA3 0.10 0.11 0.32 -0.51 4.01 4.04 1v9pA1 SER 352 H 0.05 0.54 -0.69 -0.55 8.46 7.81 1v9pA1 SER 352 HA -0.03 0.01 0.49 -0.75 4.49 4.21 1v9pA1 SER 352 HB2 -0.05 -0.01 -0.04 -0.04 3.95 3.81 1v9pA1 SER 352 HB3 -0.01 0.02 0.09 -0.04 3.93 3.99 1v9pA1 GLU 353 H -0.21 0.12 0.16 -0.55 8.60 8.13 1v9pA1 GLU 353 HA -1.06 0.19 0.67 -0.75 4.29 3.33 1v9pA1 GLU 353 HB2 -0.98 -0.00 0.04 -0.04 2.09 1.11 1v9pA1 GLU 353 HB3 -0.29 -0.06 0.17 -0.04 1.99 1.77 1v9pA1 GLU 353 HG2 -0.32 -0.01 -0.49 -0.04 2.34 1.48 1v9pA1 GLU 353 HG3 -0.62 0.05 -0.14 -0.04 2.34 1.58 1v9pA1 VAL 354 H -0.30 0.36 0.20 -0.55 8.24 7.95 1v9pA1 VAL 354 HA -0.13 0.08 0.63 -0.75 4.13 3.95 1v9pA1 VAL 354 HB -0.08 -0.03 -0.06 -0.04 2.12 1.91 1v9pA1 VAL 354 HG13 -0.06 -0.00 -0.28 -0.04 0.97 0.59 1v9pA1 VAL 354 HG23 -0.08 0.04 -0.12 -0.04 0.95 0.75 1v9pA1 SER 355 H -0.10 0.01 0.18 -0.55 8.46 8.01 1v9pA1 SER 355 HA -0.08 0.20 0.59 -0.75 4.49 4.44 1v9pA1 SER 355 HB2 -0.07 0.06 0.02 -0.04 3.95 3.92 1v9pA1 SER 355 HB3 -0.09 -0.00 -0.20 -0.04 3.93 3.59 1v9pA1 ARG 356 H -0.08 0.04 0.15 -0.55 8.46 8.02 1v9pA1 ARG 356 HA -0.09 0.26 1.03 -0.75 4.34 4.78 1v9pA1 ARG 356 HB2 -0.08 -0.05 0.09 -0.04 1.90 1.82 1v9pA1 ARG 356 HB3 -0.09 0.03 -0.07 -0.04 1.80 1.63 1v9pA1 ARG 356 HG2 -0.09 0.09 0.02 -0.04 1.67 1.65 1v9pA1 ARG 356 HG3 -0.07 -0.04 -0.22 -0.04 1.67 1.29 1v9pA1 ARG 356 HD2 -0.07 -0.02 -0.07 -0.04 3.22 3.02 1v9pA1 ARG 356 HD3 -0.08 0.01 -0.11 -0.04 3.22 2.99 1v9pA1 VAL 357 H -0.09 0.90 0.26 -0.55 8.24 8.75 1v9pA1 VAL 357 HA -0.09 0.20 0.98 -0.75 4.13 4.46 1v9pA1 VAL 357 HB -0.06 -0.08 -0.29 -0.04 2.12 1.65 1v9pA1 VAL 357 HG13 -0.06 0.02 -0.20 -0.04 0.97 0.69 1v9pA1 VAL 357 HG23 -0.07 0.02 -0.23 -0.04 0.95 0.63 1v9pA1 THR 358 H -0.15 0.20 0.18 -0.55 8.28 7.97 1v9pA1 THR 358 HA -0.17 -0.03 0.57 -0.75 4.39 4.00 1v9pA1 THR 358 HB -0.18 -0.11 0.19 -0.04 4.32 4.18 1v9pA1 THR 358 HG23 -0.42 0.00 0.17 -0.04 1.22 0.93 1v9pA1 LEU 359 H -0.16 0.51 0.19 -0.55 8.37 8.37 1v9pA1 LEU 359 HA -0.09 0.09 0.49 -0.75 4.35 4.09 1v9pA1 LEU 359 HB2 -0.08 0.00 -0.16 -0.04 1.64 1.36 1v9pA1 LEU 359 HB3 0.06 -0.05 0.04 -0.04 1.64 1.65 1v9pA1 LEU 359 HG -0.11 -0.08 -0.12 -0.04 1.64 1.29 1v9pA1 LEU 359 HD13 -0.10 0.01 -0.17 -0.04 0.93 0.62 1v9pA1 LEU 359 HD23 0.03 0.03 -0.01 -0.04 0.89 0.90 1v9pA1 HIS 360 H 0.13 0.10 -0.06 -0.55 8.41 8.03 1v9pA1 HIS 360 HA -0.04 0.19 0.73 -0.75 4.63 4.76 1v9pA1 HIS 360 HB2 0.02 -0.10 0.13 -0.04 3.26 3.27 1v9pA1 HIS 360 HB3 0.03 0.03 0.13 -0.04 3.20 3.34 1v9pA1 HIS 360 HD2 -1.67 -0.03 -0.22 -0.04 6.97 5.01 1v9pA1 HIS 360 HE1 -0.09 0.00 -0.02 -0.04 7.75 7.60 1v9pA1 ASN 361 H 0.32 0.09 0.24 -0.55 8.53 8.63 1v9pA1 ASN 361 HA 0.32 0.30 0.78 -0.75 4.76 5.42 1v9pA1 ASN 361 HB2 0.10 -0.05 0.21 -0.04 2.88 3.11 1v9pA1 ASN 361 HB3 0.14 0.26 0.09 -0.04 2.79 3.24 1v9pA1 ASN 361 HD21 0.04 0.52 -0.12 -0.04 7.03 7.43 1v9pA1 ASN 361 HD22 0.06 0.17 0.00 -0.04 7.74 7.93 1v9pA1 GLU 362 H 0.07 0.28 0.20 -0.55 8.60 8.60 1v9pA1 GLU 362 HA 0.25 0.07 0.43 -0.75 4.29 4.29 1v9pA1 GLU 362 HB2 -0.23 0.06 0.04 -0.04 2.09 1.91 1v9pA1 GLU 362 HB3 -0.99 0.01 0.13 -0.04 1.99 1.10 1v9pA1 GLU 362 HG2 -0.11 -0.05 0.27 -0.04 2.34 2.41 1v9pA1 GLU 362 HG3 -0.26 0.23 0.19 -0.04 2.34 2.46 1v9pA1 SER 363 H 0.07 0.13 -0.23 -0.55 8.46 7.89 1v9pA1 SER 363 HA 0.02 0.13 0.48 -0.75 4.49 4.37 1v9pA1 SER 363 HB2 0.05 -0.05 -0.08 -0.04 3.95 3.83 1v9pA1 SER 363 HB3 0.01 -0.05 -0.06 -0.04 3.93 3.79 1v9pA1 TYR 364 H 0.22 0.10 -0.10 -0.55 8.29 7.96 1v9pA1 TYR 364 HA 0.04 0.04 0.31 -0.75 4.56 4.19 1v9pA1 TYR 364 HB2 0.09 -0.06 0.14 -0.04 3.06 3.18 1v9pA1 TYR 364 HB3 0.19 0.02 0.06 -0.04 2.98 3.21 1v9pA1 TYR 364 HD2 -0.01 -0.07 -0.14 -0.04 7.15 6.89 1v9pA1 TYR 364 HE2 0.07 0.10 -0.09 -0.04 6.85 6.89 1v9pA1 ILE 365 H 0.30 0.31 -0.24 -0.55 8.25 8.08 1v9pA1 ILE 365 HA 0.21 0.03 0.34 -0.75 4.18 4.01 1v9pA1 ILE 365 HB 0.29 0.06 0.06 -0.04 1.89 2.26 1v9pA1 ILE 365 HG12 0.20 0.02 0.00 -0.04 1.49 1.67 1v9pA1 ILE 365 HG13 0.30 -0.03 0.02 -0.04 1.21 1.46 1v9pA1 ILE 365 HG23 0.19 0.04 -0.07 -0.04 0.93 1.04 1v9pA1 ILE 365 HD13 0.26 -0.01 -0.11 -0.04 0.88 0.99 1v9pA1 GLU 366 H 0.10 0.39 -0.36 -0.55 8.60 8.19 1v9pA1 GLU 366 HA 0.05 0.01 0.55 -0.75 4.29 4.14 1v9pA1 GLU 366 HB2 0.03 0.11 0.34 -0.04 2.09 2.52 1v9pA1 GLU 366 HB3 0.02 -0.08 0.04 -0.04 1.99 1.93 1v9pA1 GLU 366 HG2 0.04 -0.07 0.05 -0.04 2.34 2.31 1v9pA1 GLU 366 HG3 0.06 0.06 0.10 -0.04 2.34 2.52 1v9pA1 GLU 367 H -0.02 0.69 0.11 -0.55 8.60 8.84 1v9pA1 GLU 367 HA -0.04 0.01 0.37 -0.75 4.29 3.87 1v9pA1 GLU 367 HB2 -0.09 0.00 0.04 -0.04 2.09 2.00 1v9pA1 GLU 367 HB3 -0.20 0.02 0.05 -0.04 1.99 1.82 1v9pA1 GLU 367 HG2 -0.09 -0.03 -0.03 -0.04 2.34 2.15 1v9pA1 GLU 367 HG3 -0.06 0.01 0.01 -0.04 2.34 2.26 1v9pA1 LEU 368 H -0.15 0.50 -0.08 -0.55 8.37 8.09 1v9pA1 LEU 368 HA -0.06 0.04 0.44 -0.75 4.35 4.01 1v9pA1 LEU 368 HB2 -0.07 0.10 -0.05 -0.04 1.64 1.59 1v9pA1 LEU 368 HB3 -0.01 -0.11 0.02 -0.04 1.64 1.50 1v9pA1 LEU 368 HG -0.36 0.03 -0.07 -0.04 1.64 1.20 1v9pA1 LEU 368 HD13 -0.04 -0.02 -0.03 -0.04 0.93 0.79 1v9pA1 LEU 368 HD23 -0.56 0.01 -0.02 -0.04 0.89 0.27 1v9pA1 ASP 369 H 0.00 0.39 -0.90 -0.55 8.40 7.34 1v9pA1 ASP 369 HA 0.04 0.05 0.34 -0.75 4.63 4.30 1v9pA1 ASP 369 HB2 0.02 0.08 0.02 -0.04 2.71 2.78 1v9pA1 ASP 369 HB3 0.02 0.02 -0.02 -0.04 2.70 2.68 1v9pA1 ILE 370 H 0.07 0.59 -0.01 -0.55 8.25 8.35 1v9pA1 ILE 370 HA 0.06 0.10 0.73 -0.75 4.18 4.32 1v9pA1 ILE 370 HB 0.12 -0.07 0.18 -0.04 1.89 2.07 1v9pA1 ILE 370 HG12 0.11 -0.01 -0.17 -0.04 1.49 1.38 1v9pA1 ILE 370 HG13 0.09 -0.02 -0.31 -0.04 1.21 0.93 1v9pA1 ILE 370 HG23 0.07 0.01 -0.13 -0.04 0.93 0.83 1v9pA1 ILE 370 HD13 0.29 -0.02 -0.13 -0.04 0.88 0.97 1v9pA1 ARG 371 H 0.05 0.14 -0.00 -0.55 8.46 8.10 1v9pA1 ARG 371 HA 0.05 0.07 0.55 -0.75 4.34 4.25 1v9pA1 ARG 371 HB2 0.04 -0.05 -0.05 -0.04 1.90 1.80 1v9pA1 ARG 371 HB3 0.03 -0.17 -0.11 -0.04 1.80 1.51 1v9pA1 ARG 371 HG2 0.04 0.03 -0.28 -0.04 1.67 1.42 1v9pA1 ARG 371 HG3 0.05 -0.00 -0.21 -0.04 1.67 1.47 1v9pA1 ARG 371 HD2 0.04 0.06 -0.17 -0.04 3.22 3.11 1v9pA1 ARG 371 HD3 0.05 -0.01 -0.07 -0.04 3.22 3.14 1v9pA1 ILE 372 H 0.02 0.33 0.16 -0.55 8.25 8.20 1v9pA1 ILE 372 HA -0.02 0.24 0.70 -0.75 4.18 4.34 1v9pA1 ILE 372 HB -0.01 -0.25 0.31 -0.04 1.89 1.90 1v9pA1 ILE 372 HG12 -0.04 0.01 -0.21 -0.04 1.49 1.20 1v9pA1 ILE 372 HG13 -0.01 0.08 -0.19 -0.04 1.21 1.05 1v9pA1 ILE 372 HG23 -0.04 0.02 -0.05 -0.04 0.93 0.82 1v9pA1 ILE 372 HD13 -0.04 0.00 -0.03 -0.04 0.88 0.78 1v9pA1 GLY 373 H -0.01 -0.08 0.23 -0.55 8.43 8.02 1v9pA1 GLY 373 HA2 -0.06 0.15 0.37 -0.51 4.01 3.96 1v9pA1 GLY 373 HA3 -0.00 -0.11 0.33 -0.51 4.01 3.71 1v9pA1 ASP 374 H 0.01 -0.17 -1.20 -0.55 8.40 6.49 1v9pA1 ASP 374 HA 0.11 -0.10 0.27 -0.75 4.63 4.16 1v9pA1 ASP 374 HB2 0.03 0.25 -0.20 -0.04 2.71 2.75 1v9pA1 ASP 374 HB3 0.08 0.05 -0.16 -0.04 2.70 2.63 1v9pA1 TRP 375 H 0.33 0.11 0.18 -0.55 7.97 8.03 1v9pA1 TRP 375 HA 0.02 0.14 0.88 -0.75 4.62 4.90 1v9pA1 TRP 375 HB2 0.02 -0.02 0.19 -0.04 3.23 3.37 1v9pA1 TRP 375 HB3 0.02 -0.02 0.02 -0.04 3.23 3.21 1v9pA1 TRP 375 HD1 0.01 0.01 -0.00 -0.04 7.22 7.20 1v9pA1 TRP 375 HE1 0.01 0.00 0.01 -0.04 10.20 10.18 1v9pA1 TRP 375 HE3 0.02 0.01 -0.13 -0.04 7.59 7.45 1v9pA1 TRP 375 HZ2 0.01 -0.00 -0.01 -0.04 7.44 7.40 1v9pA1 TRP 375 HZ3 0.02 0.04 -0.16 -0.04 7.13 7.00 1v9pA1 TRP 375 HH2 0.02 0.01 -0.03 -0.04 7.19 7.14 1v9pA1 VAL 376 H 0.15 1.06 0.49 -0.55 8.24 9.39 1v9pA1 VAL 376 HA 0.14 0.09 1.19 -0.75 4.13 4.79 1v9pA1 VAL 376 HB 0.10 -0.01 -0.18 -0.04 2.12 1.98 1v9pA1 VAL 376 HG13 0.07 0.00 -0.38 -0.04 0.97 0.62 1v9pA1 VAL 376 HG23 0.03 -0.01 -0.23 -0.04 0.95 0.71 1v9pA1 LEU 377 H 0.11 0.77 0.31 -0.55 8.37 9.01 1v9pA1 LEU 377 HA 0.12 0.14 0.65 -0.75 4.35 4.50 1v9pA1 LEU 377 HB2 0.08 -0.03 0.00 -0.04 1.64 1.65 1v9pA1 LEU 377 HB3 0.07 0.01 0.18 -0.04 1.64 1.87 1v9pA1 LEU 377 HG 0.07 -0.01 -0.25 -0.04 1.64 1.42 1v9pA1 LEU 377 HD13 0.08 0.02 -0.24 -0.04 0.93 0.75 1v9pA1 LEU 377 HD23 0.04 -0.00 -0.10 -0.04 0.89 0.78 1v9pA1 VAL 378 H 0.11 0.70 0.31 -0.55 8.24 8.81 1v9pA1 VAL 378 HA 0.16 -0.01 1.00 -0.75 4.13 4.53 1v9pA1 VAL 378 HB 0.07 -0.04 -0.18 -0.04 2.12 1.93 1v9pA1 VAL 378 HG13 0.07 0.05 0.01 -0.04 0.97 1.05 1v9pA1 VAL 378 HG23 0.04 -0.00 -0.25 -0.04 0.95 0.69 1v9pA1 HIS 379 H 0.33 0.41 0.30 -0.55 8.41 8.91 1v9pA1 HIS 379 HA 0.06 0.29 0.87 -0.75 4.63 5.09 1v9pA1 HIS 379 HB2 0.06 0.07 0.20 -0.04 3.26 3.56 1v9pA1 HIS 379 HB3 0.07 -0.05 -0.09 -0.04 3.20 3.09 1v9pA1 HIS 379 HD2 0.06 0.00 -0.05 -0.04 6.97 6.93 1v9pA1 HIS 379 HE1 0.16 0.03 -0.07 -0.04 7.75 7.83 1v9pA1 LYS 380 H -0.06 0.24 0.12 -0.55 8.42 8.17 1v9pA1 LYS 380 HA -0.24 0.24 0.64 -0.75 4.32 4.20 1v9pA1 LYS 380 HB2 -0.05 0.04 0.07 -0.04 1.87 1.88 1v9pA1 LYS 380 HB3 -0.13 -0.20 -0.21 -0.04 1.79 1.21 1v9pA1 LYS 380 HG2 -0.08 0.05 -0.30 -0.04 1.46 1.09 1v9pA1 LYS 380 HG3 -0.03 0.00 -0.34 -0.04 1.46 1.05 1v9pA1 LYS 380 HD2 0.00 -0.02 -0.17 -0.04 1.69 1.46 1v9pA1 LYS 380 HD3 -0.10 0.05 -0.43 -0.04 1.68 1.16 1v9pA1 LYS 380 HE2 -0.04 0.03 -0.15 -0.04 2.99 2.79 1v9pA1 LYS 380 HE3 -0.00 -0.00 -0.13 -0.04 2.99 2.82 1v9pA1 ALA 381 H -0.30 0.68 0.08 -0.55 8.40 8.32 1v9pA1 ALA 381 HA -0.01 0.16 0.56 -0.75 4.34 4.29 1v9pA1 ALA 381 HB3 0.19 0.03 0.06 -0.04 1.41 1.66 1v9pA1 GLY 382 H -0.14 0.21 0.29 -0.55 8.43 8.24 1v9pA1 GLY 382 HA2 -0.32 -0.04 0.39 -0.51 4.01 3.53 1v9pA1 GLY 382 HA3 -0.24 0.12 0.53 -0.51 4.01 3.91 1v9pA1 GLY 383 H -0.11 0.39 -0.72 -0.55 8.43 7.44 1v9pA1 GLY 383 HA2 -0.12 0.01 0.21 -0.51 4.01 3.61 1v9pA1 GLY 383 HA3 -0.17 0.07 0.40 -0.51 4.01 3.80 1v9pA1 VAL 384 H -0.12 -0.06 -0.45 -0.55 8.24 7.06 1v9pA1 VAL 384 HA -0.17 0.16 0.62 -0.75 4.13 3.99 1v9pA1 VAL 384 HB -0.13 0.12 -0.12 -0.04 2.12 1.94 1v9pA1 VAL 384 HG13 -0.02 0.01 -0.28 -0.04 0.97 0.64 1v9pA1 VAL 384 HG23 -0.03 -0.01 -0.16 -0.04 0.95 0.72 1v9pA1 ILE 385 H -0.05 0.20 0.05 -0.55 8.25 7.89 1v9pA1 ILE 385 HA -0.05 0.31 1.08 -0.75 4.18 4.77 1v9pA1 ILE 385 HB 0.05 -0.02 0.16 -0.04 1.89 2.03 1v9pA1 ILE 385 HG12 -0.02 0.09 -0.04 -0.04 1.49 1.48 1v9pA1 ILE 385 HG13 0.01 -0.08 -0.29 -0.04 1.21 0.82 1v9pA1 ILE 385 HG23 -0.04 0.01 -0.08 -0.04 0.93 0.79 1v9pA1 ILE 385 HD13 0.02 -0.01 -0.02 -0.04 0.88 0.83 1v9pA1 PRO 386 HA -0.11 0.42 0.71 -0.51 4.44 4.95 1v9pA1 PRO 386 HB2 -0.05 -0.03 -0.05 -0.04 2.28 2.12 1v9pA1 PRO 386 HB3 -0.05 0.02 0.04 -0.04 2.02 1.98 1v9pA1 PRO 386 HG2 -0.07 -0.01 0.14 -0.04 2.03 2.05 1v9pA1 PRO 386 HG3 -0.06 0.04 0.07 -0.04 2.03 2.03 1v9pA1 PRO 386 HD2 -0.06 0.10 0.28 -0.04 3.68 3.96 1v9pA1 PRO 386 HD3 -0.06 0.19 0.10 -0.04 3.65 3.84 1v9pA1 GLU 387 H -0.02 0.39 0.29 -0.55 8.60 8.72 1v9pA1 GLU 387 HA -0.04 0.11 0.47 -0.75 4.29 4.07 1v9pA1 GLU 387 HB2 -0.05 0.06 0.02 -0.04 2.09 2.08 1v9pA1 GLU 387 HB3 -0.05 0.18 -0.14 -0.04 1.99 1.94 1v9pA1 GLU 387 HG2 -0.01 -0.08 -0.07 -0.04 2.34 2.13 1v9pA1 GLU 387 HG3 0.32 -0.05 -0.32 -0.04 2.34 2.25 1v9pA1 VAL 388 H 0.06 0.24 0.03 -0.55 8.24 8.02 1v9pA1 VAL 388 HA 0.14 -0.00 0.38 -0.75 4.13 3.89 1v9pA1 VAL 388 HB 0.09 0.01 -0.08 -0.04 2.12 2.09 1v9pA1 VAL 388 HG13 0.16 0.02 0.02 -0.04 0.97 1.13 1v9pA1 VAL 388 HG23 0.16 0.01 -0.29 -0.04 0.95 0.79 1v9pA1 LEU 389 H 0.21 0.28 0.58 -0.55 8.37 8.89 1v9pA1 LEU 389 HA 0.15 0.00 0.42 -0.75 4.35 4.17 1v9pA1 LEU 389 HB2 -0.04 -0.10 0.14 -0.04 1.64 1.60 1v9pA1 LEU 389 HB3 0.04 0.19 0.11 -0.04 1.64 1.94 1v9pA1 LEU 389 HG -0.25 -0.05 -0.06 -0.04 1.64 1.24 1v9pA1 LEU 389 HD13 -0.03 -0.00 -0.27 -0.04 0.93 0.58 1v9pA1 LEU 389 HD23 -0.51 -0.01 0.04 -0.04 0.89 0.37 1v9pA1 ARG 390 H 0.10 0.33 0.03 -0.55 8.46 8.37 1v9pA1 ARG 390 HA 0.06 0.11 0.31 -0.75 4.34 4.07 1v9pA1 ARG 390 HB2 0.03 0.01 0.14 -0.04 1.90 2.04 1v9pA1 ARG 390 HB3 0.02 0.26 0.08 -0.04 1.80 2.12 1v9pA1 ARG 390 HG2 0.02 -0.05 -0.22 -0.04 1.67 1.38 1v9pA1 ARG 390 HG3 0.05 -0.09 -0.26 -0.04 1.67 1.33 1v9pA1 ARG 390 HD2 0.03 0.06 -0.09 -0.04 3.22 3.18 1v9pA1 ARG 390 HD3 0.01 0.03 -0.04 -0.04 3.22 3.18 1v9pA1 VAL 391 H 0.05 0.26 0.17 -0.55 8.24 8.17 1v9pA1 VAL 391 HA 0.10 0.11 0.91 -0.75 4.13 4.49 1v9pA1 VAL 391 HB 0.07 0.03 0.04 -0.04 2.12 2.23 1v9pA1 VAL 391 HG13 0.05 0.04 0.13 -0.04 0.97 1.14 1v9pA1 VAL 391 HG23 0.09 0.01 -0.10 -0.04 0.95 0.90 1v9pA1 LEU 392 H 0.14 0.75 0.25 -0.55 8.37 8.97 1v9pA1 LEU 392 HA 0.05 0.09 0.65 -0.75 4.35 4.38 1v9pA1 LEU 392 HB2 0.17 0.09 0.12 -0.04 1.64 1.98 1v9pA1 LEU 392 HB3 0.03 -0.08 0.14 -0.04 1.64 1.68 1v9pA1 LEU 392 HG 0.02 -0.00 -0.03 -0.04 1.64 1.59 1v9pA1 LEU 392 HD13 0.08 0.01 -0.21 -0.04 0.93 0.77 1v9pA1 LEU 392 HD23 0.05 -0.00 -0.09 -0.04 0.89 0.81 1v9pA1 LYS 393 H 0.05 0.43 -0.06 -0.55 8.42 8.28 1v9pA1 LYS 393 HA 0.06 0.05 0.29 -0.75 4.32 3.96 1v9pA1 LYS 393 HB2 0.03 -0.07 0.16 -0.04 1.87 1.95 1v9pA1 LYS 393 HB3 0.03 0.03 -0.00 -0.04 1.79 1.80 1v9pA1 LYS 393 HG2 0.04 0.05 0.06 -0.04 1.46 1.56 1v9pA1 LYS 393 HG3 0.04 0.12 0.08 -0.04 1.46 1.65 1v9pA1 LYS 393 HD2 0.02 -0.05 0.06 -0.04 1.69 1.68 1v9pA1 LYS 393 HD3 0.02 -0.02 0.03 -0.04 1.68 1.67 1v9pA1 LYS 393 HE2 0.02 0.07 0.03 -0.04 2.99 3.07 1v9pA1 LYS 393 HE3 0.02 0.03 0.06 -0.04 2.99 3.07 1v9pA1 GLU 394 H 0.02 0.12 -0.02 -0.55 8.60 8.17 1v9pA1 GLU 394 HA 0.01 0.08 0.36 -0.75 4.29 3.99 1v9pA1 GLU 394 HB2 -0.01 0.04 0.07 -0.04 2.09 2.16 1v9pA1 GLU 394 HB3 0.00 -0.01 0.12 -0.04 1.99 2.05 1v9pA1 GLU 394 HG2 -0.03 0.09 -0.29 -0.04 2.34 2.07 1v9pA1 GLU 394 HG3 -0.02 0.01 -0.05 -0.04 2.34 2.23 1v9pA1 ARG 395 H 0.01 0.21 -0.47 -0.55 8.46 7.66 1v9pA1 ARG 395 HA -0.03 0.08 0.42 -0.75 4.34 4.06 1v9pA1 ARG 395 HB2 -0.11 -0.06 0.07 -0.04 1.90 1.76 1v9pA1 ARG 395 HB3 -0.01 0.02 0.06 -0.04 1.80 1.82 1v9pA1 ARG 395 HG2 -0.16 0.01 0.13 -0.04 1.67 1.61 1v9pA1 ARG 395 HG3 -0.21 -0.02 0.03 -0.04 1.67 1.43 1v9pA1 ARG 395 HD2 -1.45 -0.00 0.03 -0.04 3.22 1.76 1v9pA1 ARG 395 HD3 -0.80 -0.01 0.02 -0.04 3.22 2.39 1v9pA1 ARG 396 H 0.05 0.59 -0.47 -0.55 8.46 8.08 1v9pA1 ARG 396 HA 0.12 -0.06 0.47 -0.75 4.34 4.11 1v9pA1 ARG 396 HB2 0.05 0.19 0.19 -0.04 1.90 2.29 1v9pA1 ARG 396 HB3 0.05 -0.23 0.03 -0.04 1.80 1.61 1v9pA1 ARG 396 HG2 0.08 -0.14 0.02 -0.04 1.67 1.58 1v9pA1 ARG 396 HG3 0.08 0.10 0.10 -0.04 1.67 1.91 1v9pA1 ARG 396 HD2 0.04 0.04 0.03 -0.04 3.22 3.29 1v9pA1 ARG 396 HD3 0.05 -0.06 -0.00 -0.04 3.22 3.16 1v9pA1 THR 397 H 0.10 0.16 0.22 -0.55 8.28 8.21 1v9pA1 THR 397 HA 0.05 0.16 0.41 -0.75 4.39 4.26 1v9pA1 THR 397 HB 0.09 0.10 0.14 -0.04 4.32 4.61 1v9pA1 THR 397 HG23 0.06 -0.15 -0.06 -0.04 1.22 1.03 1v9pA1 GLY 398 H 0.05 -0.04 -0.69 -0.55 8.43 7.21 1v9pA1 GLY 398 HA2 0.03 0.02 0.24 -0.51 4.01 3.80 1v9pA1 GLY 398 HA3 0.03 0.16 0.38 -0.51 4.01 4.07 1v9pA1 GLU 399 H 0.04 -0.05 -0.56 -0.55 8.60 7.48 1v9pA1 GLU 399 HA 0.02 0.29 0.88 -0.75 4.29 4.72 1v9pA1 GLU 399 HB2 0.03 0.09 -0.07 -0.04 2.09 2.09 1v9pA1 GLU 399 HB3 0.03 -0.05 -0.03 -0.04 1.99 1.90 1v9pA1 GLU 399 HG2 0.02 -0.03 0.16 -0.04 2.34 2.44 1v9pA1 GLU 399 HG3 0.02 0.04 0.09 -0.04 2.34 2.44 1v9pA1 GLU 400 H 0.04 -0.04 -0.19 -0.55 8.60 7.86 1v9pA1 GLU 400 HA 0.02 -0.00 0.52 -0.75 4.29 4.08 1v9pA1 GLU 400 HB2 0.04 0.09 -0.06 -0.04 2.09 2.11 1v9pA1 GLU 400 HB3 0.03 -0.11 -0.03 -0.04 1.99 1.84 1v9pA1 GLU 400 HG2 0.05 0.06 -0.17 -0.04 2.34 2.24 1v9pA1 GLU 400 HG3 0.04 0.04 -0.11 -0.04 2.34 2.27 1v9pA1 ARG 401 H 0.01 -0.04 0.29 -0.55 8.46 8.17 1v9pA1 ARG 401 HA 0.03 0.27 0.83 -0.75 4.34 4.72 1v9pA1 ARG 401 HB2 0.01 -0.06 0.13 -0.04 1.90 1.93 1v9pA1 ARG 401 HB3 0.02 0.12 0.07 -0.04 1.80 1.97 1v9pA1 ARG 401 HG2 0.02 0.06 -0.03 -0.04 1.67 1.68 1v9pA1 ARG 401 HG3 0.01 -0.01 0.00 -0.04 1.67 1.64 1v9pA1 ARG 401 HD2 0.01 0.02 0.03 -0.04 3.22 3.24 1v9pA1 ARG 401 HD3 0.01 0.01 0.03 -0.04 3.22 3.22 1v9pA1 PRO 402 HA 0.06 0.03 0.53 -0.51 4.44 4.55 1v9pA1 PRO 402 HB2 0.07 0.10 -0.08 -0.04 2.28 2.32 1v9pA1 PRO 402 HB3 0.05 0.02 0.02 -0.04 2.02 2.07 1v9pA1 PRO 402 HG2 0.06 0.03 0.03 -0.04 2.03 2.11 1v9pA1 PRO 402 HG3 0.05 0.04 0.03 -0.04 2.03 2.11 1v9pA1 PRO 402 HD2 0.04 0.08 0.22 -0.04 3.68 3.98 1v9pA1 PRO 402 HD3 0.04 0.20 0.18 -0.04 3.65 4.02 1v9pA1 ILE 403 H 0.10 0.17 0.10 -0.55 8.25 8.07 1v9pA1 ILE 403 HA 0.09 0.06 0.46 -0.75 4.18 4.03 1v9pA1 ILE 403 HB 0.20 -0.02 0.10 -0.04 1.89 2.13 1v9pA1 ILE 403 HG12 -0.01 -0.03 -0.12 -0.04 1.49 1.30 1v9pA1 ILE 403 HG13 0.06 0.03 0.06 -0.04 1.21 1.32 1v9pA1 ILE 403 HG23 0.08 -0.02 -0.24 -0.04 0.93 0.71 1v9pA1 ILE 403 HD13 0.03 -0.01 -0.06 -0.04 0.88 0.79 1v9pA1 ARG 404 H 0.16 0.24 0.18 -0.55 8.46 8.49 1v9pA1 ARG 404 HA 0.31 0.11 0.86 -0.75 4.34 4.87 1v9pA1 ARG 404 HB2 0.12 -0.01 0.06 -0.04 1.90 2.02 1v9pA1 ARG 404 HB3 0.13 0.03 0.02 -0.04 1.80 1.94 1v9pA1 ARG 404 HG2 0.11 0.06 -0.56 -0.04 1.67 1.25 1v9pA1 ARG 404 HG3 0.08 -0.03 -0.08 -0.04 1.67 1.61 1v9pA1 ARG 404 HD2 0.12 0.05 -0.06 -0.04 3.22 3.30 1v9pA1 ARG 404 HD3 0.08 -0.03 -0.16 -0.04 3.22 3.07 1v9pA1 TRP 405 H 0.47 0.08 0.07 -0.55 7.97 8.04 1v9pA1 TRP 405 HA -0.95 0.08 0.43 -0.75 4.62 3.43 1v9pA1 TRP 405 HB2 -0.66 -0.07 0.06 -0.04 3.23 2.52 1v9pA1 TRP 405 HB3 -0.40 0.17 -0.03 -0.04 3.23 2.93 1v9pA1 TRP 405 HD1 -0.29 0.00 -0.01 -0.04 7.22 6.88 1v9pA1 TRP 405 HE1 -0.04 0.55 0.14 -0.04 10.20 10.81 1v9pA1 TRP 405 HE3 -0.13 -0.12 -0.15 -0.04 7.59 7.14 1v9pA1 TRP 405 HZ2 0.12 0.01 -0.04 -0.04 7.44 7.49 1v9pA1 TRP 405 HZ3 0.07 0.08 -0.16 -0.04 7.13 7.08 1v9pA1 TRP 405 HH2 0.11 -0.06 -0.25 -0.04 7.19 6.95 1v9pA1 PRO 406 HA -0.00 0.11 0.64 -0.51 4.44 4.68 1v9pA1 PRO 406 HB2 -0.01 -0.05 0.05 -0.04 2.28 2.23 1v9pA1 PRO 406 HB3 -0.03 0.02 0.09 -0.04 2.02 2.05 1v9pA1 PRO 406 HG2 -0.10 0.20 0.03 -0.04 2.03 2.12 1v9pA1 PRO 406 HG3 -0.15 -0.02 0.07 -0.04 2.03 1.88 1v9pA1 PRO 406 HD2 -0.84 0.06 0.16 -0.04 3.68 3.02 1v9pA1 PRO 406 HD3 -1.24 0.13 0.14 -0.04 3.65 2.63 1v9pA1 GLU 407 H 0.03 0.10 0.15 -0.55 8.60 8.33 1v9pA1 GLU 407 HA 0.06 0.08 0.42 -0.75 4.29 4.09 1v9pA1 GLU 407 HB2 0.04 0.02 0.14 -0.04 2.09 2.25 1v9pA1 GLU 407 HB3 0.03 -0.06 0.16 -0.04 1.99 2.08 1v9pA1 GLU 407 HG2 0.03 -0.00 -0.17 -0.04 2.34 2.16 1v9pA1 GLU 407 HG3 0.04 0.01 0.05 -0.04 2.34 2.39 1v9pA1 THR 408 H 0.03 0.01 -0.12 -0.55 8.28 7.66 1v9pA1 THR 408 HA 0.06 0.18 0.93 -0.75 4.39 4.81 1v9pA1 THR 408 HB 0.04 0.11 -0.20 -0.04 4.32 4.23 1v9pA1 THR 408 HG23 0.02 -0.02 -0.10 -0.04 1.22 1.08 1v9pA1 CYS 409 H 0.07 0.56 0.02 -0.55 8.50 8.60 1v9pA1 CYS 409 HA 0.04 0.21 0.55 -0.75 4.58 4.63 1v9pA1 CYS 409 HB2 0.06 0.13 0.02 -0.04 2.97 3.13 1v9pA1 CYS 409 HB3 0.08 -0.09 0.13 -0.04 2.97 3.05 1v9pA1 PRO 410 HA 0.02 0.10 0.43 -0.51 4.44 4.49 1v9pA1 PRO 410 HB2 0.03 0.06 0.08 -0.04 2.28 2.40 1v9pA1 PRO 410 HB3 0.03 0.05 0.08 -0.04 2.02 2.14 1v9pA1 PRO 410 HG2 0.03 0.01 -0.12 -0.04 2.03 1.92 1v9pA1 PRO 410 HG3 0.05 0.13 -0.09 -0.04 2.03 2.07 1v9pA1 PRO 410 HD2 0.04 0.04 0.12 -0.04 3.68 3.84 1v9pA1 PRO 410 HD3 0.02 0.29 0.19 -0.04 3.65 4.10 1v9pA1 GLU 411 H 0.04 0.01 -0.44 -0.55 8.60 7.66 1v9pA1 GLU 411 HA 0.02 0.33 0.98 -0.75 4.29 4.87 1v9pA1 GLU 411 HB2 0.03 -0.04 0.01 -0.04 2.09 2.05 1v9pA1 GLU 411 HB3 0.03 0.03 0.16 -0.04 1.99 2.16 1v9pA1 GLU 411 HG2 0.03 -0.05 -0.44 -0.04 2.34 1.83 1v9pA1 GLU 411 HG3 0.03 -0.01 -0.04 -0.04 2.34 2.27 1v9pA1 CYS 412 H 0.04 -0.12 -0.06 -0.55 8.50 7.81 1v9pA1 CYS 412 HA 0.03 0.18 0.50 -0.75 4.58 4.53 1v9pA1 CYS 412 HB2 0.06 0.05 0.14 -0.04 2.97 3.17 1v9pA1 CYS 412 HB3 0.05 0.10 -0.19 -0.04 2.97 2.89 1v9pA1 GLY 413 H 0.05 0.09 0.15 -0.55 8.43 8.17 1v9pA1 GLY 413 HA2 0.03 0.11 0.36 -0.51 4.01 4.00 1v9pA1 GLY 413 HA3 0.02 0.12 0.46 -0.51 4.01 4.11 1v9pA1 HIS 414 H 0.14 -0.02 -0.39 -0.55 8.41 7.59 1v9pA1 HIS 414 HA 0.01 0.08 0.43 -0.75 4.63 4.40 1v9pA1 HIS 414 HB2 0.02 -0.02 0.06 -0.04 3.26 3.29 1v9pA1 HIS 414 HB3 0.02 -0.04 0.02 -0.04 3.20 3.16 1v9pA1 HIS 414 HD2 0.02 -0.08 0.05 -0.04 6.97 6.92 1v9pA1 HIS 414 HE1 0.00 0.05 0.03 -0.04 7.75 7.79 1v9pA1 ARG 415 H 0.06 0.07 0.22 -0.55 8.46 8.26 1v9pA1 ARG 415 HA 0.09 0.04 0.47 -0.75 4.34 4.18 1v9pA1 ARG 415 HB2 0.04 -0.04 0.16 -0.04 1.90 2.02 1v9pA1 ARG 415 HB3 0.15 -0.05 0.14 -0.04 1.80 2.00 1v9pA1 ARG 415 HG2 0.05 -0.06 0.02 -0.04 1.67 1.65 1v9pA1 ARG 415 HG3 0.06 0.32 -0.02 -0.04 1.67 1.99 1v9pA1 ARG 415 HD2 0.05 0.09 0.05 -0.04 3.22 3.36 1v9pA1 ARG 415 HD3 0.03 -0.08 0.04 -0.04 3.22 3.17 1v9pA1 LEU 416 H 0.07 0.66 0.41 -0.55 8.37 8.97 1v9pA1 LEU 416 HA 0.04 0.08 0.64 -0.75 4.35 4.35 1v9pA1 LEU 416 HB2 0.09 0.18 0.10 -0.04 1.64 1.96 1v9pA1 LEU 416 HB3 0.08 -0.11 0.01 -0.04 1.64 1.59 1v9pA1 LEU 416 HG 0.07 -0.17 -0.44 -0.04 1.64 1.06 1v9pA1 LEU 416 HD13 0.15 0.16 -0.17 -0.04 0.93 1.02 1v9pA1 LEU 416 HD23 0.08 -0.04 -0.23 -0.04 0.89 0.66 1v9pA1 VAL 417 H -0.03 0.60 0.35 -0.55 8.24 8.61 1v9pA1 VAL 417 HA -0.09 0.12 0.85 -0.75 4.13 4.25 1v9pA1 VAL 417 HB -0.07 0.01 -0.06 -0.04 2.12 1.96 1v9pA1 VAL 417 HG13 -0.08 -0.02 -0.27 -0.04 0.97 0.56 1v9pA1 VAL 417 HG23 -0.04 0.03 -0.05 -0.04 0.95 0.85 1v9pA1 LYS 418 H -0.20 0.18 0.07 -0.55 8.42 7.92 1v9pA1 LYS 418 HA -0.32 0.12 0.72 -0.75 4.32 4.08 1v9pA1 LYS 418 HB2 -0.58 -0.02 0.02 -0.04 1.87 1.25 1v9pA1 LYS 418 HB3 -0.24 -0.01 0.17 -0.04 1.79 1.67 1v9pA1 LYS 418 HG2 -0.20 0.15 -0.29 -0.04 1.46 1.08 1v9pA1 LYS 418 HG3 -0.38 -0.01 -0.48 -0.04 1.46 0.54 1v9pA1 LYS 418 HD2 -0.49 -0.04 -0.11 -0.04 1.69 1.01 1v9pA1 LYS 418 HD3 -0.18 -0.01 -0.06 -0.04 1.68 1.39 1v9pA1 LYS 418 HE2 -0.11 0.13 -0.14 -0.04 2.99 2.83 1v9pA1 LYS 418 HE3 -0.09 -0.05 -0.29 -0.04 2.99 2.52 1v9pA1 GLU 419 H -0.11 0.35 0.09 -0.55 8.60 8.38 1v9pA1 GLU 419 HA -0.07 0.08 0.56 -0.75 4.29 4.10 1v9pA1 GLU 419 HB2 -0.06 0.00 -0.03 -0.04 2.09 1.96 1v9pA1 GLU 419 HB3 -0.05 0.04 0.16 -0.04 1.99 2.10 1v9pA1 GLU 419 HG2 -0.04 -0.01 -0.05 -0.04 2.34 2.20 1v9pA1 GLU 419 HG3 -0.04 -0.02 -0.04 -0.04 2.34 2.20 1v9pA1 GLY 420 H -0.08 0.37 -0.05 -0.55 8.43 8.13 1v9pA1 GLY 420 HA2 -0.05 -0.00 0.29 -0.51 4.01 3.74 1v9pA1 GLY 420 HA3 -0.04 0.16 0.89 -0.51 4.01 4.51 1v9pA1 LYS 421 H -0.04 0.27 0.17 -0.55 8.42 8.27 1v9pA1 LYS 421 HA -0.06 0.16 0.75 -0.75 4.32 4.41 1v9pA1 LYS 421 HB2 -0.03 -0.03 0.08 -0.04 1.87 1.85 1v9pA1 LYS 421 HB3 -0.03 0.10 0.15 -0.04 1.79 1.97 1v9pA1 LYS 421 HG2 -0.03 0.09 0.13 -0.04 1.46 1.61 1v9pA1 LYS 421 HG3 -0.04 -0.04 0.13 -0.04 1.46 1.47 1v9pA1 LYS 421 HD2 -0.02 -0.05 0.01 -0.04 1.69 1.58 1v9pA1 LYS 421 HD3 -0.03 -0.04 -0.02 -0.04 1.68 1.56 1v9pA1 LYS 421 HE2 -0.02 0.03 -0.02 -0.04 2.99 2.94 1v9pA1 LYS 421 HE3 -0.02 0.08 -0.25 -0.04 2.99 2.76 1v9pA1 VAL 422 H -0.06 0.20 -0.19 -0.55 8.24 7.64 1v9pA1 VAL 422 HA -0.10 0.10 0.99 -0.75 4.13 4.37 1v9pA1 VAL 422 HB 0.04 0.03 0.03 -0.04 2.12 2.18 1v9pA1 VAL 422 HG13 0.01 0.01 -0.15 -0.04 0.97 0.80 1v9pA1 VAL 422 HG23 0.00 0.01 -0.10 -0.04 0.95 0.83 1v9pA1 HIS 423 H -0.13 0.10 0.14 -0.55 8.41 7.98 1v9pA1 HIS 423 HA -0.15 0.08 0.56 -0.75 4.63 4.36 1v9pA1 HIS 423 HB2 -0.46 0.04 0.15 -0.04 3.26 2.95 1v9pA1 HIS 423 HB3 -0.03 0.06 -0.02 -0.04 3.20 3.17 1v9pA1 HIS 423 HD2 -0.66 -0.05 -0.10 -0.04 6.97 6.12 1v9pA1 HIS 423 HE1 -0.09 0.03 -0.07 -0.04 7.75 7.57 1v9pA1 ARG 424 H -0.02 0.55 0.35 -0.55 8.46 8.79 1v9pA1 ARG 424 HA 0.09 0.06 0.66 -0.75 4.34 4.39 1v9pA1 ARG 424 HB2 0.01 -0.03 -0.19 -0.04 1.90 1.65 1v9pA1 ARG 424 HB3 0.03 0.01 -0.28 -0.04 1.80 1.51 1v9pA1 ARG 424 HG2 -0.03 -0.03 -0.05 -0.04 1.67 1.52 1v9pA1 ARG 424 HG3 -0.04 0.02 -0.17 -0.04 1.67 1.44 1v9pA1 ARG 424 HD2 -0.03 -0.03 -0.07 -0.04 3.22 3.04 1v9pA1 ARG 424 HD3 -0.02 0.08 -0.16 -0.04 3.22 3.09 1v9pA1 CYS 425 H 0.02 0.32 0.10 -0.55 8.50 8.40 1v9pA1 CYS 425 HA -0.03 0.21 0.94 -0.75 4.58 4.93 1v9pA1 CYS 425 HB2 0.03 -0.03 0.02 -0.04 2.97 2.95 1v9pA1 CYS 425 HB3 0.01 0.05 0.17 -0.04 2.97 3.16 1v9pA1 PRO 426 HA -0.09 0.14 0.37 -0.51 4.44 4.35 1v9pA1 PRO 426 HB2 -0.16 0.01 -0.02 -0.04 2.28 2.06 1v9pA1 PRO 426 HB3 -0.12 0.01 0.03 -0.04 2.02 1.90 1v9pA1 PRO 426 HG2 -0.76 -0.07 0.01 -0.04 2.03 1.18 1v9pA1 PRO 426 HG3 -0.21 0.10 -0.00 -0.04 2.03 1.88 1v9pA1 PRO 426 HD2 -0.20 0.09 0.22 -0.04 3.68 3.75 1v9pA1 PRO 426 HD3 -0.10 0.18 0.24 -0.04 3.65 3.93 1v9pA1 ASN 427 H -0.32 0.02 -0.26 -0.55 8.53 7.42 1v9pA1 ASN 427 HA -0.10 0.03 0.33 -0.75 4.76 4.27 1v9pA1 ASN 427 HB2 -0.05 0.01 0.07 -0.04 2.88 2.87 1v9pA1 ASN 427 HB3 -0.00 -0.02 0.03 -0.04 2.79 2.76 1v9pA1 ASN 427 HD21 0.14 0.07 -0.03 -0.04 7.03 7.17 1v9pA1 ASN 427 HD22 0.26 -0.03 0.00 -0.04 7.74 7.93 1v9pA1 PRO 428 HA 0.06 0.26 0.54 -0.51 4.44 4.79 1v9pA1 PRO 428 HB2 0.09 -0.05 -0.12 -0.04 2.28 2.16 1v9pA1 PRO 428 HB3 0.20 0.14 0.08 -0.04 2.02 2.40 1v9pA1 PRO 428 HG2 0.27 -0.09 0.02 -0.04 2.03 2.19 1v9pA1 PRO 428 HG3 0.17 0.20 0.09 -0.04 2.03 2.44 1v9pA1 PRO 428 HD2 0.11 -0.08 0.16 -0.04 3.68 3.83 1v9pA1 PRO 428 HD3 0.05 0.11 0.16 -0.04 3.65 3.94 1v9pA1 LEU 429 H 0.05 -0.04 -0.23 -0.55 8.37 7.61 1v9pA1 LEU 429 HA 0.02 0.29 0.81 -0.75 4.35 4.71 1v9pA1 LEU 429 HB2 0.04 -0.07 -0.04 -0.04 1.64 1.54 1v9pA1 LEU 429 HB3 0.02 0.04 0.05 -0.04 1.64 1.71 1v9pA1 LEU 429 HG 0.02 -0.05 -0.21 -0.04 1.64 1.37 1v9pA1 LEU 429 HD13 0.01 -0.00 -0.03 -0.04 0.93 0.87 1v9pA1 LEU 429 HD23 -0.02 0.04 -0.10 -0.04 0.89 0.77 1v9pA1 CYS 430 H 0.03 0.11 -0.34 -0.55 8.50 7.76 1v9pA1 CYS 430 HA 0.04 0.06 0.35 -0.75 4.58 4.28 1v9pA1 CYS 430 HB2 0.04 -0.08 0.02 -0.04 2.97 2.90 1v9pA1 CYS 430 HB3 0.02 0.22 -0.02 -0.04 2.97 3.15 1v9pA1 PRO 431 HA 0.03 0.14 0.51 -0.51 4.44 4.61 1v9pA1 PRO 431 HB2 0.02 0.02 0.11 -0.04 2.28 2.39 1v9pA1 PRO 431 HB3 0.02 0.04 0.17 -0.04 2.02 2.20 1v9pA1 PRO 431 HG2 0.02 0.05 0.17 -0.04 2.03 2.22 1v9pA1 PRO 431 HG3 0.02 0.08 0.16 -0.04 2.03 2.24 1v9pA1 PRO 431 HD2 0.03 0.32 0.31 -0.04 3.68 4.30 1v9pA1 PRO 431 HD3 0.03 0.03 0.28 -0.04 3.65 3.95 1v9pA1 ALA 432 H 0.03 0.08 -0.33 -0.55 8.40 7.63 1v9pA1 ALA 432 HA 0.03 0.07 0.36 -0.75 4.34 4.05 1v9pA1 ALA 432 HB3 0.03 0.03 -0.03 -0.04 1.41 1.40 1v9pA1 LYS 433 H 0.04 0.45 -0.55 -0.55 8.42 7.81 1v9pA1 LYS 433 HA 0.06 0.23 0.83 -0.75 4.32 4.69 1v9pA1 LYS 433 HB2 0.03 0.13 -0.14 -0.04 1.87 1.85 1v9pA1 LYS 433 HB3 0.03 0.02 -0.01 -0.04 1.79 1.79 1v9pA1 LYS 433 HG2 0.03 -0.03 -0.54 -0.04 1.46 0.88 1v9pA1 LYS 433 HG3 0.03 -0.21 -0.44 -0.04 1.46 0.80 1v9pA1 LYS 433 HD2 0.01 -0.16 -0.09 -0.04 1.69 1.41 1v9pA1 LYS 433 HD3 0.02 -0.02 -0.14 -0.04 1.68 1.50 1v9pA1 LYS 433 HE2 0.00 -0.01 -0.04 -0.04 2.99 2.90 1v9pA1 LYS 433 HE3 -0.01 0.26 -0.07 -0.04 2.99 3.13 1v9pA1 ARG 434 H 0.05 0.37 -0.17 -0.55 8.46 8.16 1v9pA1 ARG 434 HA 0.03 0.05 0.34 -0.75 4.34 4.00 1v9pA1 ARG 434 HB2 0.07 -0.04 0.13 -0.04 1.90 2.01 1v9pA1 ARG 434 HB3 0.04 -0.04 -0.06 -0.04 1.80 1.70 1v9pA1 ARG 434 HG2 0.02 0.07 0.12 -0.04 1.67 1.84 1v9pA1 ARG 434 HG3 0.03 0.02 0.19 -0.04 1.67 1.88 1v9pA1 ARG 434 HD2 0.03 -0.05 0.11 -0.04 3.22 3.28 1v9pA1 ARG 434 HD3 0.02 0.09 0.17 -0.04 3.22 3.46 1v9pA1 PHE 435 H 0.20 0.18 -0.13 -0.55 8.34 8.04 1v9pA1 PHE 435 HA 0.01 0.02 0.23 -0.75 4.62 4.13 1v9pA1 PHE 435 HB2 0.01 0.03 0.03 -0.04 3.15 3.17 1v9pA1 PHE 435 HB3 0.01 0.01 0.06 -0.04 3.06 3.10 1v9pA1 PHE 435 HD2 0.01 -0.02 -0.14 -0.04 7.28 7.09 1v9pA1 PHE 435 HE2 0.01 0.05 -0.02 -0.04 7.38 7.39 1v9pA1 PHE 435 HZ 0.01 -0.04 -0.03 -0.04 7.32 7.23 1v9pA1 GLU 436 H 0.15 0.17 -0.23 -0.55 8.60 8.15 1v9pA1 GLU 436 HA -0.25 -0.06 0.35 -0.75 4.29 3.58 1v9pA1 GLU 436 HB2 0.09 -0.10 0.08 -0.04 2.09 2.12 1v9pA1 GLU 436 HB3 0.03 0.25 0.18 -0.04 1.99 2.41 1v9pA1 GLU 436 HG2 -0.02 -0.01 -0.01 -0.04 2.34 2.27 1v9pA1 GLU 436 HG3 -0.05 0.05 -0.20 -0.04 2.34 2.09 1v9pA1 ALA 437 H -0.01 0.65 -0.11 -0.55 8.40 8.39 1v9pA1 ALA 437 HA 0.03 0.04 0.43 -0.75 4.34 4.09 1v9pA1 ALA 437 HB3 0.00 0.01 0.11 -0.04 1.41 1.50 1v9pA1 ILE 438 H -0.05 0.65 -0.00 -0.55 8.25 8.30 1v9pA1 ILE 438 HA -0.06 -0.05 0.20 -0.75 4.18 3.52 1v9pA1 ILE 438 HB -0.08 0.07 -0.03 -0.04 1.89 1.81 1v9pA1 ILE 438 HG12 -0.03 0.18 -0.12 -0.04 1.49 1.48 1v9pA1 ILE 438 HG13 -0.01 -0.03 -0.24 -0.04 1.21 0.89 1v9pA1 ILE 438 HG23 -0.04 -0.02 -0.19 -0.04 0.93 0.63 1v9pA1 ILE 438 HD13 -0.08 -0.05 -0.38 -0.04 0.88 0.33 1v9pA1 ARG 439 H -0.24 0.55 -0.37 -0.55 8.46 7.84 1v9pA1 ARG 439 HA -0.11 0.02 0.43 -0.75 4.34 3.92 1v9pA1 ARG 439 HB2 -0.65 0.07 0.06 -0.04 1.90 1.35 1v9pA1 ARG 439 HB3 -0.27 0.06 0.10 -0.04 1.80 1.64 1v9pA1 ARG 439 HG2 -0.09 -0.03 -0.09 -0.04 1.67 1.42 1v9pA1 ARG 439 HG3 -0.16 -0.03 -0.04 -0.04 1.67 1.40 1v9pA1 ARG 439 HD2 -0.03 -0.07 -0.03 -0.04 3.22 3.05 1v9pA1 ARG 439 HD3 -0.32 -0.01 -0.04 -0.04 3.22 2.81 1v9pA1 HIS 440 H 0.00 0.78 0.15 -0.55 8.41 8.80 1v9pA1 HIS 440 HA -0.09 -0.10 0.42 -0.75 4.63 4.10 1v9pA1 HIS 440 HB2 -0.09 -0.02 0.18 -0.04 3.26 3.30 1v9pA1 HIS 440 HB3 -0.07 0.16 0.23 -0.04 3.20 3.47 1v9pA1 HIS 440 HD2 -0.14 0.07 0.01 -0.04 6.97 6.86 1v9pA1 HIS 440 HE1 -0.42 -0.12 -0.01 -0.04 7.75 7.15 1v9pA1 TYR 441 H 0.10 0.62 -0.18 -0.55 8.29 8.29 1v9pA1 TYR 441 HA -0.23 -0.04 0.47 -0.75 4.56 4.00 1v9pA1 TYR 441 HB2 -0.07 0.09 0.01 -0.04 3.06 3.06 1v9pA1 TYR 441 HB3 -0.06 0.11 0.01 -0.04 2.98 3.00 1v9pA1 TYR 441 HD2 -0.04 0.04 -0.29 -0.04 7.15 6.81 1v9pA1 TYR 441 HE2 0.04 0.01 -0.10 -0.04 6.85 6.77 1v9pA1 ALA 442 H 0.04 0.39 -0.39 -0.55 8.40 7.90 1v9pA1 ALA 442 HA 0.01 0.06 0.46 -0.75 4.34 4.11 1v9pA1 ALA 442 HB3 0.01 0.02 0.12 -0.04 1.41 1.53 1v9pA1 SER 443 H -0.07 0.45 -0.23 -0.55 8.46 8.07 1v9pA1 SER 443 HA -0.01 0.03 0.42 -0.75 4.49 4.19 1v9pA1 SER 443 HB2 0.04 -0.14 0.10 -0.04 3.95 3.91 1v9pA1 SER 443 HB3 0.02 0.10 0.11 -0.04 3.93 4.11 1v9pA1 ARG 444 H 0.01 0.15 0.15 -0.55 8.46 8.21 1v9pA1 ARG 444 HA -0.01 0.06 0.35 -0.75 4.34 3.98 1v9pA1 ARG 444 HB2 0.01 0.05 -0.05 -0.04 1.90 1.86 1v9pA1 ARG 444 HB3 -0.00 0.02 0.09 -0.04 1.80 1.87 1v9pA1 ARG 444 HG2 0.00 0.03 0.05 -0.04 1.67 1.71 1v9pA1 ARG 444 HG3 0.01 -0.03 0.15 -0.04 1.67 1.76 1v9pA1 ARG 444 HD2 0.02 0.04 0.05 -0.04 3.22 3.29 1v9pA1 ARG 444 HD3 0.03 -0.17 0.10 -0.04 3.22 3.14 1v9pA1 LYS 445 H 0.06 -0.00 -0.25 -0.55 8.42 7.67 1v9pA1 LYS 445 HA 0.03 0.04 0.44 -0.75 4.32 4.06 1v9pA1 LYS 445 HB2 0.24 -0.04 0.04 -0.04 1.87 2.07 1v9pA1 LYS 445 HB3 0.37 0.02 -0.03 -0.04 1.79 2.11 1v9pA1 LYS 445 HG2 -0.02 0.01 0.05 -0.04 1.46 1.46 1v9pA1 LYS 445 HG3 0.05 -0.04 0.03 -0.04 1.46 1.45 1v9pA1 LYS 445 HD2 0.16 0.02 0.01 -0.04 1.69 1.85 1v9pA1 LYS 445 HD3 -0.08 -0.03 0.02 -0.04 1.68 1.55 1v9pA1 LYS 445 HE2 -0.03 -0.01 0.02 -0.04 2.99 2.93 1v9pA1 LYS 445 HE3 0.02 0.01 0.01 -0.04 2.99 2.99 1v9pA1 ALA 446 H 0.01 0.11 -0.57 -0.55 8.40 7.40 1v9pA1 ALA 446 HA 0.04 0.10 0.60 -0.75 4.34 4.32 1v9pA1 ALA 446 HB3 -0.37 0.01 0.13 -0.04 1.41 1.13 1v9pA1 MET 447 H -0.41 0.51 0.18 -0.55 8.47 8.20 1v9pA1 MET 447 HA -0.16 0.04 0.46 -0.75 4.52 4.11 1v9pA1 MET 447 HB2 -0.55 0.10 0.04 -0.04 2.15 1.69 1v9pA1 MET 447 HB3 -0.21 -0.02 0.12 -0.04 2.03 1.88 1v9pA1 MET 447 HG2 -1.06 -0.02 0.09 -0.04 2.63 1.60 1v9pA1 MET 447 HG3 -1.28 -0.05 -0.02 -0.04 2.56 1.16 1v9pA1 MET 447 HE3 -0.05 0.08 -0.06 -0.04 2.10 2.03 1v9pA1 ASP 448 H -0.08 0.31 -0.98 -0.55 8.40 7.11 1v9pA1 ASP 448 HA -0.03 -0.07 -0.22 -0.75 4.63 3.55 1v9pA1 ASP 448 HB2 -0.02 0.22 0.01 -0.04 2.71 2.88 1v9pA1 ASP 448 HB3 -0.02 0.03 -0.07 -0.04 2.70 2.59 1v9pA1 ILE 449 H -0.02 0.90 -0.04 -0.55 8.25 8.54 1v9pA1 ILE 449 HA -0.02 0.12 0.83 -0.75 4.18 4.36 1v9pA1 ILE 449 HB -0.00 0.05 0.15 -0.04 1.89 2.05 1v9pA1 ILE 449 HG12 -0.03 0.02 -0.15 -0.04 1.49 1.28 1v9pA1 ILE 449 HG13 -0.01 0.21 -0.46 -0.04 1.21 0.91 1v9pA1 ILE 449 HG23 -0.03 -0.10 -0.07 -0.04 0.93 0.68 1v9pA1 ILE 449 HD13 -0.00 -0.01 -0.10 -0.04 0.88 0.72 1v9pA1 GLU 450 H -0.01 0.19 -0.02 -0.55 8.60 8.21 1v9pA1 GLU 450 HA -0.00 0.12 0.33 -0.75 4.29 3.98 1v9pA1 GLU 450 HB2 -0.00 -0.02 0.02 -0.04 2.09 2.04 1v9pA1 GLU 450 HB3 -0.00 0.01 0.03 -0.04 1.99 1.98 1v9pA1 GLU 450 HG2 -0.00 0.00 -0.01 -0.04 2.34 2.29 1v9pA1 GLU 450 HG3 -0.01 0.01 -0.02 -0.04 2.34 2.29 1v9pA1 GLY 451 H -0.01 0.05 -0.23 -0.55 8.43 7.69 1v9pA1 GLY 451 HA2 -0.00 0.05 0.37 -0.51 4.01 3.92 1v9pA1 GLY 451 HA3 -0.01 -0.02 0.27 -0.51 4.01 3.74 1v9pA1 LEU 452 H -0.01 0.16 -0.23 -0.55 8.37 7.74 1v9pA1 LEU 452 HA 0.00 -0.06 0.32 -0.75 4.35 3.86 1v9pA1 LEU 452 HB2 -0.01 0.18 0.10 -0.04 1.64 1.87 1v9pA1 LEU 452 HB3 -0.01 -0.01 -0.01 -0.04 1.64 1.58 1v9pA1 LEU 452 HG -0.02 0.08 -0.06 -0.04 1.64 1.60 1v9pA1 LEU 452 HD13 -0.01 -0.02 -0.15 -0.04 0.93 0.71 1v9pA1 LEU 452 HD23 -0.04 -0.02 -0.07 -0.04 0.89 0.72 1v9pA1 GLY 453 H 0.01 0.22 0.44 -0.55 8.43 8.56 1v9pA1 GLY 453 HA2 0.03 0.18 0.54 -0.51 4.01 4.25 1v9pA1 GLY 453 HA3 0.03 -0.01 0.41 -0.51 4.01 3.92 1v9pA1 GLU 454 H 0.06 0.22 0.17 -0.55 8.60 8.51 1v9pA1 GLU 454 HA 0.18 0.12 0.30 -0.75 4.29 4.14 1v9pA1 GLU 454 HB2 0.12 0.06 0.15 -0.04 2.09 2.38 1v9pA1 GLU 454 HB3 0.11 -0.01 0.05 -0.04 1.99 2.10 1v9pA1 GLU 454 HG2 0.22 -0.01 -0.05 -0.04 2.34 2.46 1v9pA1 GLU 454 HG3 0.64 0.01 0.07 -0.04 2.34 3.02 1v9pA1 LYS 455 H 0.06 0.03 -0.45 -0.55 8.42 7.51 1v9pA1 LYS 455 HA 0.05 0.16 0.54 -0.75 4.32 4.31 1v9pA1 LYS 455 HB2 0.03 -0.02 0.04 -0.04 1.87 1.88 1v9pA1 LYS 455 HB3 0.02 0.05 -0.03 -0.04 1.79 1.79 1v9pA1 LYS 455 HG2 0.02 0.05 -0.03 -0.04 1.46 1.46 1v9pA1 LYS 455 HG3 0.03 -0.05 -0.02 -0.04 1.46 1.38 1v9pA1 LYS 455 HD2 0.02 0.00 -0.00 -0.04 1.69 1.66 1v9pA1 LYS 455 HD3 0.01 0.02 -0.02 -0.04 1.68 1.66 1v9pA1 LYS 455 HE2 0.01 0.02 -0.01 -0.04 2.99 2.97 1v9pA1 LYS 455 HE3 0.01 0.02 -0.02 -0.04 2.99 2.96 1v9pA1 LEU 456 H 0.04 0.16 -0.07 -0.55 8.37 7.96 1v9pA1 LEU 456 HA 0.03 0.08 0.45 -0.75 4.35 4.16 1v9pA1 LEU 456 HB2 0.02 0.00 0.15 -0.04 1.64 1.77 1v9pA1 LEU 456 HB3 0.02 0.07 0.13 -0.04 1.64 1.82 1v9pA1 LEU 456 HG 0.01 0.01 -0.17 -0.04 1.64 1.45 1v9pA1 LEU 456 HD13 0.01 -0.00 0.05 -0.04 0.93 0.95 1v9pA1 LEU 456 HD23 -0.00 0.01 -0.06 -0.04 0.89 0.79 1v9pA1 ILE 457 H 0.08 0.50 -0.31 -0.55 8.25 7.97 1v9pA1 ILE 457 HA 0.05 0.07 0.30 -0.75 4.18 3.85 1v9pA1 ILE 457 HB 0.21 0.09 -0.06 -0.04 1.89 2.09 1v9pA1 ILE 457 HG12 0.00 -0.03 -0.17 -0.04 1.49 1.25 1v9pA1 ILE 457 HG13 0.04 0.14 -0.29 -0.04 1.21 1.06 1v9pA1 ILE 457 HG23 0.04 0.01 -0.17 -0.04 0.93 0.76 1v9pA1 ILE 457 HD13 -0.08 0.02 -0.24 -0.04 0.88 0.54 1v9pA1 GLU 458 H 0.13 0.31 -0.34 -0.55 8.60 8.15 1v9pA1 GLU 458 HA 0.09 0.11 0.59 -0.75 4.29 4.33 1v9pA1 GLU 458 HB2 -0.05 -0.02 0.10 -0.04 2.09 2.08 1v9pA1 GLU 458 HB3 -0.03 0.04 0.08 -0.04 1.99 2.03 1v9pA1 GLU 458 HG2 0.03 0.09 0.20 -0.04 2.34 2.62 1v9pA1 GLU 458 HG3 -0.01 -0.00 -0.18 -0.04 2.34 2.11 1v9pA1 ARG 459 H 0.04 0.24 -0.40 -0.55 8.46 7.79 1v9pA1 ARG 459 HA 0.01 0.09 0.60 -0.75 4.34 4.29 1v9pA1 ARG 459 HB2 0.01 0.07 0.09 -0.04 1.90 2.03 1v9pA1 ARG 459 HB3 0.02 0.03 0.21 -0.04 1.80 2.01 1v9pA1 ARG 459 HG2 0.01 -0.03 0.00 -0.04 1.67 1.61 1v9pA1 ARG 459 HG3 0.01 0.01 -0.15 -0.04 1.67 1.50 1v9pA1 ARG 459 HD2 0.00 -0.00 0.03 -0.04 3.22 3.20 1v9pA1 ARG 459 HD3 0.00 0.02 0.02 -0.04 3.22 3.22 1v9pA1 LEU 460 H 0.03 0.70 -0.03 -0.55 8.37 8.52 1v9pA1 LEU 460 HA 0.01 0.05 0.42 -0.75 4.35 4.08 1v9pA1 LEU 460 HB2 0.02 0.08 0.02 -0.04 1.64 1.71 1v9pA1 LEU 460 HB3 0.01 -0.05 -0.08 -0.04 1.64 1.48 1v9pA1 LEU 460 HG 0.01 0.12 0.06 -0.04 1.64 1.79 1v9pA1 LEU 460 HD13 -0.00 -0.03 -0.17 -0.04 0.93 0.69 1v9pA1 LEU 460 HD23 0.00 -0.01 -0.08 -0.04 0.89 0.76 1v9pA1 LEU 461 H 0.04 0.14 -0.59 -0.55 8.37 7.41 1v9pA1 LEU 461 HA 0.03 0.17 0.49 -0.75 4.35 4.29 1v9pA1 LEU 461 HB2 0.07 0.16 0.23 -0.04 1.64 2.05 1v9pA1 LEU 461 HB3 0.05 -0.00 -0.09 -0.04 1.64 1.55 1v9pA1 LEU 461 HG 0.10 -0.12 -0.12 -0.04 1.64 1.47 1v9pA1 LEU 461 HD13 0.03 0.04 -0.10 -0.04 0.93 0.86 1v9pA1 LEU 461 HD23 0.05 0.03 -0.20 -0.04 0.89 0.73 1v9pA1 GLU 462 H 0.02 0.26 -0.33 -0.55 8.60 7.99 1v9pA1 GLU 462 HA 0.01 0.10 0.55 -0.75 4.29 4.19 1v9pA1 GLU 462 HB2 -0.00 0.18 0.20 -0.04 2.09 2.43 1v9pA1 GLU 462 HB3 0.00 0.00 0.12 -0.04 1.99 2.08 1v9pA1 GLU 462 HG2 -0.01 -0.04 0.00 -0.04 2.34 2.25 1v9pA1 GLU 462 HG3 -0.00 -0.00 0.05 -0.04 2.34 2.35 1v9pA1 LYS 463 H 0.01 0.44 -0.15 -0.55 8.42 8.17 1v9pA1 LYS 463 HA 0.00 0.09 0.50 -0.75 4.32 4.16 1v9pA1 LYS 463 HB2 0.00 0.06 0.14 -0.04 1.87 2.03 1v9pA1 LYS 463 HB3 0.01 -0.05 0.06 -0.04 1.79 1.76 1v9pA1 LYS 463 HG2 0.00 -0.02 0.09 -0.04 1.46 1.50 1v9pA1 LYS 463 HG3 0.00 -0.01 0.11 -0.04 1.46 1.53 1v9pA1 LYS 463 HD2 0.00 -0.01 0.01 -0.04 1.69 1.65 1v9pA1 LYS 463 HD3 0.00 0.00 -0.01 -0.04 1.68 1.63 1v9pA1 LYS 463 HE2 0.00 0.00 0.02 -0.04 2.99 2.97 1v9pA1 LYS 463 HE3 0.00 -0.02 0.03 -0.04 2.99 2.95 1v9pA1 GLY 464 H 0.01 0.16 -0.92 -0.55 8.43 7.14 1v9pA1 GLY 464 HA2 0.01 0.13 0.23 -0.51 4.01 3.87 1v9pA1 GLY 464 HA3 0.01 0.04 0.35 -0.51 4.01 3.90 1v9pA1 LEU 465 H 0.01 0.09 -0.34 -0.55 8.37 7.58 1v9pA1 LEU 465 HA 0.01 0.06 0.37 -0.75 4.35 4.03 1v9pA1 LEU 465 HB2 0.01 -0.02 0.02 -0.04 1.64 1.60 1v9pA1 LEU 465 HB3 0.01 -0.03 0.01 -0.04 1.64 1.59 1v9pA1 LEU 465 HG 0.01 0.02 -0.09 -0.04 1.64 1.53 1v9pA1 LEU 465 HD13 0.00 -0.02 -0.05 -0.04 0.93 0.82 1v9pA1 LEU 465 HD23 0.01 0.00 -0.05 -0.04 0.89 0.80 1v9pA1 VAL 466 H 0.01 0.39 -0.21 -0.55 8.24 7.88 1v9pA1 VAL 466 HA 0.01 0.12 0.75 -0.75 4.13 4.25 1v9pA1 VAL 466 HB 0.01 0.01 -0.31 -0.04 2.12 1.79 1v9pA1 VAL 466 HG13 -0.01 -0.00 -0.21 -0.04 0.97 0.70 1v9pA1 VAL 466 HG23 -0.01 -0.01 -0.36 -0.04 0.95 0.54 1v9pA1 ARG 467 H 0.00 -0.16 0.17 -0.55 8.46 7.92 1v9pA1 ARG 467 HA 0.01 0.21 0.73 -0.75 4.34 4.54 1v9pA1 ARG 467 HB2 0.01 -0.05 -0.07 -0.04 1.90 1.74 1v9pA1 ARG 467 HB3 0.01 -0.02 -0.07 -0.04 1.80 1.67 1v9pA1 ARG 467 HG2 0.01 0.01 0.10 -0.04 1.67 1.75 1v9pA1 ARG 467 HG3 0.01 0.16 -0.17 -0.04 1.67 1.64 1v9pA1 ARG 467 HD2 0.01 -0.04 -0.02 -0.04 3.22 3.12 1v9pA1 ARG 467 HD3 0.01 0.01 -0.01 -0.04 3.22 3.18 1v9pA1 ASP 468 H -0.02 -0.02 0.23 -0.55 8.40 8.04 1v9pA1 ASP 468 HA -0.04 0.22 0.51 -0.75 4.63 4.57 1v9pA1 ASP 468 HB2 -0.05 -0.01 0.14 -0.04 2.71 2.74 1v9pA1 ASP 468 HB3 -0.02 0.20 -0.15 -0.04 2.70 2.69 1v9pA1 VAL 469 H -0.13 0.25 0.07 -0.55 8.24 7.88 1v9pA1 VAL 469 HA -0.26 0.09 0.29 -0.75 4.13 3.50 1v9pA1 VAL 469 HB -0.30 -0.01 0.06 -0.04 2.12 1.83 1v9pA1 VAL 469 HG13 -1.15 0.03 -0.22 -0.04 0.97 -0.41 1v9pA1 VAL 469 HG23 -0.32 0.03 -0.08 -0.04 0.95 0.53 1v9pA1 ALA 470 H -0.12 0.08 -0.16 -0.55 8.40 7.66 1v9pA1 ALA 470 HA -0.09 0.15 0.36 -0.75 4.34 4.01 1v9pA1 ALA 470 HB3 -0.07 0.05 -0.07 -0.04 1.41 1.28 1v9pA1 ASP 471 H -0.01 0.04 -0.24 -0.55 8.40 7.64 1v9pA1 ASP 471 HA 0.11 0.04 0.25 -0.75 4.63 4.28 1v9pA1 ASP 471 HB2 -0.00 0.02 0.15 -0.04 2.71 2.84 1v9pA1 ASP 471 HB3 0.03 0.19 0.11 -0.04 2.70 2.98 1v9pA1 LEU 472 H -0.03 0.40 -0.68 -0.55 8.37 7.52 1v9pA1 LEU 472 HA -0.10 -0.02 0.34 -0.75 4.35 3.82 1v9pA1 LEU 472 HB2 -0.34 0.15 0.13 -0.04 1.64 1.53 1v9pA1 LEU 472 HB3 -0.33 -0.08 -0.00 -0.04 1.64 1.19 1v9pA1 LEU 472 HG -0.11 0.04 0.03 -0.04 1.64 1.55 1v9pA1 LEU 472 HD13 -0.11 0.01 -0.02 -0.04 0.93 0.77 1v9pA1 LEU 472 HD23 -0.08 -0.04 -0.08 -0.04 0.89 0.65 1v9pA1 TYR 473 H 0.20 0.54 0.03 -0.55 8.29 8.51 1v9pA1 TYR 473 HA -0.09 0.06 0.47 -0.75 4.56 4.25 1v9pA1 TYR 473 HB2 -0.38 0.06 0.10 -0.04 3.06 2.80 1v9pA1 TYR 473 HB3 -0.17 0.02 0.18 -0.04 2.98 2.97 1v9pA1 TYR 473 HD2 -0.13 0.14 0.18 -0.04 7.15 7.30 1v9pA1 TYR 473 HE2 -0.08 -0.01 -0.02 -0.04 6.85 6.71 1v9pA1 HIS 474 H -0.03 0.39 -0.51 -0.55 8.41 7.72 1v9pA1 HIS 474 HA 0.03 0.14 0.80 -0.75 4.63 4.85 1v9pA1 HIS 474 HB2 0.02 0.10 0.04 -0.04 3.26 3.39 1v9pA1 HIS 474 HB3 0.01 -0.05 0.15 -0.04 3.20 3.26 1v9pA1 HIS 474 HD2 0.01 -0.08 -0.15 -0.04 6.97 6.70 1v9pA1 HIS 474 HE1 -0.00 0.06 -0.06 -0.04 7.75 7.71 1v9pA1 LEU 475 H 0.00 0.44 -0.31 -0.55 8.37 7.96 1v9pA1 LEU 475 HA 0.03 0.09 0.51 -0.75 4.35 4.22 1v9pA1 LEU 475 HB2 -0.04 0.49 0.19 -0.04 1.64 2.23 1v9pA1 LEU 475 HB3 -0.02 -0.12 -0.07 -0.04 1.64 1.38 1v9pA1 LEU 475 HG -0.01 -0.10 -0.03 -0.04 1.64 1.47 1v9pA1 LEU 475 HD13 0.01 0.06 -0.13 -0.04 0.93 0.83 1v9pA1 LEU 475 HD23 -0.04 -0.04 -0.07 -0.04 0.89 0.70 1v9pA1 ARG 476 H 0.04 0.18 -0.62 -0.55 8.46 7.50 1v9pA1 ARG 476 HA 0.01 0.03 0.22 -0.75 4.34 3.84 1v9pA1 ARG 476 HB2 0.05 -0.04 -0.05 -0.04 1.90 1.82 1v9pA1 ARG 476 HB3 0.03 -0.08 -0.05 -0.04 1.80 1.67 1v9pA1 ARG 476 HG2 0.04 -0.03 0.07 -0.04 1.67 1.71 1v9pA1 ARG 476 HG3 0.07 0.39 0.14 -0.04 1.67 2.23 1v9pA1 ARG 476 HD2 0.09 -0.06 0.05 -0.04 3.22 3.26 1v9pA1 ARG 476 HD3 0.05 -0.10 0.02 -0.04 3.22 3.16 1v9pA1 LYS 477 H 0.03 0.17 -0.58 -0.55 8.42 7.49 1v9pA1 LYS 477 HA 0.01 -0.05 0.44 -0.75 4.32 3.96 1v9pA1 LYS 477 HB2 0.01 0.10 0.14 -0.04 1.87 2.08 1v9pA1 LYS 477 HB3 0.01 -0.11 0.07 -0.04 1.79 1.71 1v9pA1 LYS 477 HG2 0.01 -0.03 0.02 -0.04 1.46 1.42 1v9pA1 LYS 477 HG3 0.02 0.13 0.02 -0.04 1.46 1.59 1v9pA1 LYS 477 HD2 0.01 0.02 0.01 -0.04 1.69 1.69 1v9pA1 LYS 477 HD3 0.01 0.05 0.02 -0.04 1.68 1.72 1v9pA1 LYS 477 HE2 0.01 -0.09 -0.00 -0.04 2.99 2.86 1v9pA1 LYS 477 HE3 0.01 -0.02 0.01 -0.04 2.99 2.95 1v9pA1 GLU 478 H 0.01 0.21 0.38 -0.55 8.60 8.66 1v9pA1 GLU 478 HA -0.00 0.08 0.40 -0.75 4.29 4.01 1v9pA1 GLU 478 HB2 0.00 -0.01 0.07 -0.04 2.09 2.11 1v9pA1 GLU 478 HB3 0.00 -0.10 0.06 -0.04 1.99 1.92 1v9pA1 GLU 478 HG2 -0.00 -0.06 -0.02 -0.04 2.34 2.22 1v9pA1 GLU 478 HG3 0.00 0.34 0.21 -0.04 2.34 2.85 1v9pA1 ASP 479 H 0.00 0.04 -0.38 -0.55 8.40 7.51 1v9pA1 ASP 479 HA 0.00 0.05 0.31 -0.75 4.63 4.24 1v9pA1 ASP 479 HB2 0.00 -0.05 0.06 -0.04 2.71 2.68 1v9pA1 ASP 479 HB3 0.00 0.06 -0.06 -0.04 2.70 2.66 1v9pA1 LEU 480 H 0.00 0.60 -0.60 -0.55 8.37 7.83 1v9pA1 LEU 480 HA 0.00 0.08 0.48 -0.75 4.35 4.16 1v9pA1 LEU 480 HB2 0.00 0.20 0.14 -0.04 1.64 1.94 1v9pA1 LEU 480 HB3 0.00 -0.05 0.02 -0.04 1.64 1.57 1v9pA1 LEU 480 HG 0.01 -0.15 0.06 -0.04 1.64 1.51 1v9pA1 LEU 480 HD13 0.02 0.05 0.08 -0.04 0.93 1.04 1v9pA1 LEU 480 HD23 0.01 -0.01 -0.03 -0.04 0.89 0.82 1v9pA1 LEU 481 H -0.00 0.20 -0.06 -0.55 8.37 7.96 1v9pA1 LEU 481 HA -0.00 0.08 0.49 -0.75 4.35 4.16 1v9pA1 LEU 481 HB2 -0.00 0.01 0.11 -0.04 1.64 1.71 1v9pA1 LEU 481 HB3 -0.00 -0.11 0.16 -0.04 1.64 1.65 1v9pA1 LEU 481 HG -0.01 0.14 -0.03 -0.04 1.64 1.69 1v9pA1 LEU 481 HD13 -0.02 -0.02 -0.07 -0.04 0.93 0.78 1v9pA1 LEU 481 HD23 -0.01 0.00 -0.07 -0.04 0.89 0.77 1v9pA1 GLY 482 H 0.00 0.28 -0.95 -0.55 8.43 7.22 1v9pA1 GLY 482 HA2 0.00 0.20 0.81 -0.51 4.01 4.51 1v9pA1 GLY 482 HA3 0.00 -0.02 0.29 -0.51 4.01 3.77 1v9pA1 LEU 483 H 0.00 -0.10 -0.15 -0.55 8.37 7.57 1v9pA1 LEU 483 HA 0.00 0.07 0.45 -0.75 4.35 4.12 1v9pA1 LEU 483 HB2 0.00 0.08 -0.12 -0.04 1.64 1.56 1v9pA1 LEU 483 HB3 0.00 -0.04 0.18 -0.04 1.64 1.73 1v9pA1 LEU 483 HG 0.00 0.19 -0.13 -0.04 1.64 1.66 1v9pA1 LEU 483 HD13 0.00 -0.02 0.02 -0.04 0.93 0.90 1v9pA1 LEU 483 HD23 0.00 -0.03 0.17 -0.04 0.89 0.99 1v9pA1 GLU 484 H 0.00 -0.00 0.04 -0.55 8.60 8.09 1v9pA1 GLU 484 HA 0.00 0.26 0.89 -0.75 4.29 4.68 1v9pA1 GLU 484 HB2 0.00 -0.02 0.17 -0.04 2.09 2.21 1v9pA1 GLU 484 HB3 0.01 0.01 0.14 -0.04 1.99 2.10 1v9pA1 GLU 484 HG2 0.01 0.01 -0.08 -0.04 2.34 2.23 1v9pA1 GLU 484 HG3 0.00 0.19 -0.32 -0.04 2.34 2.17 1v9pA1 ARG 485 H 0.00 0.22 -0.11 -0.55 8.46 8.02 1v9pA1 ARG 485 HA 0.00 0.03 0.29 -0.75 4.34 3.90 1v9pA1 ARG 485 HB2 0.00 0.33 0.29 -0.04 1.90 2.48 1v9pA1 ARG 485 HB3 0.00 -0.04 0.15 -0.04 1.80 1.86 1v9pA1 ARG 485 HG2 0.00 -0.00 -0.04 -0.04 1.67 1.60 1v9pA1 ARG 485 HG3 0.00 -0.07 -0.30 -0.04 1.67 1.26 1v9pA1 ARG 485 HD2 0.01 -0.02 -0.05 -0.04 3.22 3.11 1v9pA1 ARG 485 HD3 0.00 -0.00 -0.08 -0.04 3.22 3.10 1v9pA1 MET 486 H 0.00 -0.04 -0.52 -0.55 8.47 7.36 1v9pA1 MET 486 HA 0.00 0.09 0.88 -0.75 4.52 4.74 1v9pA1 MET 486 HB2 0.00 0.43 0.16 -0.04 2.15 2.69 1v9pA1 MET 486 HB3 -0.00 -0.24 -0.04 -0.04 2.03 1.71 1v9pA1 MET 486 HG2 0.00 -0.02 -0.11 -0.04 2.63 2.47 1v9pA1 MET 486 HG3 0.00 0.13 -0.11 -0.04 2.56 2.54 1v9pA1 MET 486 HE3 -0.00 0.04 0.04 -0.04 2.10 2.14 1v9pA1 GLY 487 H 0.00 -0.06 0.09 -0.55 8.43 7.91 1v9pA1 GLY 487 HA2 0.00 0.41 1.01 -0.51 4.01 4.91 1v9pA1 GLY 487 HA3 0.00 -0.04 0.47 -0.51 4.01 3.94 1v9pA1 GLU 488 H 0.00 0.18 0.22 -0.55 8.60 8.45 1v9pA1 GLU 488 HA 0.00 0.13 0.87 -0.75 4.29 4.54 1v9pA1 GLU 488 HB2 0.00 0.06 0.01 -0.04 2.09 2.11 1v9pA1 GLU 488 HB3 0.00 0.04 0.20 -0.04 1.99 2.19 1v9pA1 GLU 488 HG2 0.00 0.08 -0.09 -0.04 2.34 2.29 1v9pA1 GLU 488 HG3 0.00 -0.06 -0.30 -0.04 2.34 1.94 1v9pA1 LYS 489 H 0.00 -0.14 0.26 -0.55 8.42 7.98 1v9pA1 LYS 489 HA 0.00 0.30 0.89 -0.75 4.32 4.76 1v9pA1 LYS 489 HB2 0.00 0.02 0.09 -0.04 1.87 1.94 1v9pA1 LYS 489 HB3 0.00 -0.02 0.09 -0.04 1.79 1.82 1v9pA1 LYS 489 HG2 0.00 0.03 -0.00 -0.04 1.46 1.45 1v9pA1 LYS 489 HG3 0.00 0.05 0.11 -0.04 1.46 1.58 1v9pA1 LYS 489 HD2 0.00 -0.01 0.03 -0.04 1.69 1.66 1v9pA1 LYS 489 HD3 0.00 0.01 0.01 -0.04 1.68 1.66 1v9pA1 LYS 489 HE2 0.00 0.02 0.01 -0.04 2.99 2.98 1v9pA1 LYS 489 HE3 0.00 0.01 0.03 -0.04 2.99 2.99 1v9pA1 SER 490 H -0.00 -0.36 0.05 -0.55 8.46 7.61 1v9pA1 SER 490 HA -0.00 0.29 0.73 -0.75 4.49 4.76 1v9pA1 SER 490 HB2 0.00 0.12 0.06 -0.04 3.95 4.09 1v9pA1 SER 490 HB3 0.00 -0.33 0.16 -0.04 3.93 3.72 1v9pA1 ALA 491 H -0.00 -0.10 -0.24 -0.55 8.40 7.52 1v9pA1 ALA 491 HA -0.01 0.17 0.46 -0.75 4.34 4.21 1v9pA1 ALA 491 HB3 -0.00 0.07 0.11 -0.04 1.41 1.55 1v9pA1 GLN 492 H -0.00 0.12 -0.06 -0.55 8.47 7.98 1v9pA1 GLN 492 HA -0.00 0.08 0.27 -0.75 4.36 3.95 1v9pA1 GLN 492 HB2 0.00 0.04 -0.08 -0.04 2.15 2.07 1v9pA1 GLN 492 HB3 0.00 0.05 -0.01 -0.04 2.02 2.03 1v9pA1 GLN 492 HG2 0.00 0.01 0.07 -0.04 2.40 2.45 1v9pA1 GLN 492 HG3 0.00 -0.11 0.12 -0.04 2.39 2.36 1v9pA1 GLN 492 HE21 0.00 -0.05 0.07 -0.04 6.97 6.95 1v9pA1 GLN 492 HE22 0.00 0.25 0.22 -0.04 7.69 8.12 1v9pA1 ASN 493 H -0.00 0.01 -0.96 -0.55 8.53 7.03 1v9pA1 ASN 493 HA -0.00 0.07 0.36 -0.75 4.76 4.43 1v9pA1 ASN 493 HB2 -0.00 0.07 -0.02 -0.04 2.88 2.88 1v9pA1 ASN 493 HB3 -0.00 0.06 0.05 -0.04 2.79 2.86 1v9pA1 ASN 493 HD21 -0.00 -0.01 0.01 -0.04 7.03 6.98 1v9pA1 ASN 493 HD22 -0.00 0.08 0.03 -0.04 7.74 7.80 1v9pA1 LEU 494 H -0.01 0.42 0.06 -0.55 8.37 8.30 1v9pA1 LEU 494 HA -0.02 -0.03 0.48 -0.75 4.35 4.03 1v9pA1 LEU 494 HB2 -0.01 0.04 0.17 -0.04 1.64 1.79 1v9pA1 LEU 494 HB3 -0.02 0.10 0.13 -0.04 1.64 1.82 1v9pA1 LEU 494 HG -0.02 -0.16 0.05 -0.04 1.64 1.46 1v9pA1 LEU 494 HD13 -0.02 0.02 -0.12 -0.04 0.93 0.77 1v9pA1 LEU 494 HD23 -0.05 -0.01 -0.22 -0.04 0.89 0.57 1v9pA1 LEU 495 H -0.01 0.57 -0.21 -0.55 8.37 8.16 1v9pA1 LEU 495 HA -0.04 0.04 0.26 -0.75 4.35 3.86 1v9pA1 LEU 495 HB2 -0.01 -0.04 -0.13 -0.04 1.64 1.42 1v9pA1 LEU 495 HB3 -0.01 0.10 -0.04 -0.04 1.64 1.66 1v9pA1 LEU 495 HG -0.00 -0.04 -0.01 -0.04 1.64 1.54 1v9pA1 LEU 495 HD13 -0.00 -0.01 -0.04 -0.04 0.93 0.84 1v9pA1 LEU 495 HD23 -0.02 -0.01 -0.13 -0.04 0.89 0.69 1v9pA1 ARG 496 H -0.01 0.42 -0.44 -0.55 8.46 7.87 1v9pA1 ARG 496 HA 0.01 0.11 0.61 -0.75 4.34 4.31 1v9pA1 ARG 496 HB2 0.01 -0.06 0.13 -0.04 1.90 1.95 1v9pA1 ARG 496 HB3 0.01 0.02 0.11 -0.04 1.80 1.90 1v9pA1 ARG 496 HG2 -0.00 0.43 0.23 -0.04 1.67 2.28 1v9pA1 ARG 496 HG3 0.00 -0.05 -0.14 -0.04 1.67 1.44 1v9pA1 ARG 496 HD2 0.01 -0.05 0.00 -0.04 3.22 3.14 1v9pA1 ARG 496 HD3 0.01 -0.03 0.03 -0.04 3.22 3.18 1v9pA1 GLN 497 H -0.02 0.46 -0.12 -0.55 8.47 8.25 1v9pA1 GLN 497 HA 0.00 0.07 0.68 -0.75 4.36 4.35 1v9pA1 GLN 497 HB2 -0.03 0.09 0.26 -0.04 2.15 2.43 1v9pA1 GLN 497 HB3 -0.02 0.02 0.16 -0.04 2.02 2.14 1v9pA1 GLN 497 HG2 -0.00 0.02 0.07 -0.04 2.40 2.45 1v9pA1 GLN 497 HG3 -0.01 0.19 0.14 -0.04 2.39 2.66 1v9pA1 GLN 497 HE21 -0.00 -0.05 0.02 -0.04 6.97 6.89 1v9pA1 GLN 497 HE22 -0.00 0.10 0.03 -0.04 7.69 7.77 1v9pA1 ILE 498 H -0.07 0.44 -0.03 -0.55 8.25 8.04 1v9pA1 ILE 498 HA -0.21 0.07 0.32 -0.75 4.18 3.61 1v9pA1 ILE 498 HB -0.16 0.10 -0.02 -0.04 1.89 1.77 1v9pA1 ILE 498 HG12 -0.19 -0.01 -0.04 -0.04 1.49 1.21 1v9pA1 ILE 498 HG13 -0.11 -0.00 -0.02 -0.04 1.21 1.03 1v9pA1 ILE 498 HG23 -0.65 0.06 -0.19 -0.04 0.93 0.11 1v9pA1 ILE 498 HD13 -0.15 -0.01 -0.08 -0.04 0.88 0.60 1v9pA1 GLU 499 H -0.02 -0.04 -1.28 -0.55 8.60 6.72 1v9pA1 GLU 499 HA 0.05 0.17 0.71 -0.75 4.29 4.47 1v9pA1 GLU 499 HB2 0.02 0.07 0.09 -0.04 2.09 2.23 1v9pA1 GLU 499 HB3 0.03 0.16 0.24 -0.04 1.99 2.38 1v9pA1 GLU 499 HG2 0.06 -0.07 0.03 -0.04 2.34 2.31 1v9pA1 GLU 499 HG3 0.10 -0.02 -0.17 -0.04 2.34 2.21 1v9pA1 GLU 500 H 0.05 0.66 0.27 -0.55 8.60 9.03 1v9pA1 GLU 500 HA 0.27 -0.00 0.46 -0.75 4.29 4.27 1v9pA1 GLU 500 HB2 0.05 0.05 0.24 -0.04 2.09 2.39 1v9pA1 GLU 500 HB3 0.08 -0.05 0.12 -0.04 1.99 2.09 1v9pA1 GLU 500 HG2 0.07 -0.07 0.11 -0.04 2.34 2.41 1v9pA1 GLU 500 HG3 0.05 0.30 0.25 -0.04 2.34 2.91 1v9pA1 SER 501 H 0.04 0.56 -0.23 -0.55 8.46 8.28 1v9pA1 SER 501 HA 0.03 0.02 0.42 -0.75 4.49 4.21 1v9pA1 SER 501 HB2 0.02 0.08 0.12 -0.04 3.95 4.13 1v9pA1 SER 501 HB3 0.01 0.10 0.13 -0.04 3.93 4.13 1v9pA1 LYS 502 H 0.03 0.46 -0.52 -0.55 8.42 7.84 1v9pA1 LYS 502 HA -0.00 -0.02 0.35 -0.75 4.32 3.90 1v9pA1 LYS 502 HB2 -0.48 0.05 0.13 -0.04 1.87 1.53 1v9pA1 LYS 502 HB3 -0.27 0.11 0.02 -0.04 1.79 1.61 1v9pA1 LYS 502 HG2 0.08 -0.08 -0.00 -0.04 1.46 1.41 1v9pA1 LYS 502 HG3 0.16 0.12 0.22 -0.04 1.46 1.92 1v9pA1 LYS 502 HD2 -0.06 -0.09 0.09 -0.04 1.69 1.59 1v9pA1 LYS 502 HD3 -0.08 0.01 0.02 -0.04 1.68 1.59 1v9pA1 LYS 502 HE2 0.16 0.06 0.12 -0.04 2.99 3.29 1v9pA1 LYS 502 HE3 0.13 -0.08 0.12 -0.04 2.99 3.13 1v9pA1 HIS 503 H -0.10 0.41 -0.42 -0.55 8.41 7.75 1v9pA1 HIS 503 HA 0.01 0.06 0.65 -0.75 4.63 4.59 1v9pA1 HIS 503 HB2 0.01 0.12 0.10 -0.04 3.26 3.45 1v9pA1 HIS 503 HB3 0.01 -0.13 0.11 -0.04 3.20 3.14 1v9pA1 HIS 503 HD2 0.02 0.03 0.16 -0.04 6.97 7.14 1v9pA1 HIS 503 HE1 0.01 -0.04 0.00 -0.04 7.75 7.68 1v9pA1 ARG 504 H 0.04 0.41 -0.10 -0.55 8.46 8.26 1v9pA1 ARG 504 HA 0.03 -0.10 0.43 -0.75 4.34 3.94 1v9pA1 ARG 504 HB2 -0.03 0.01 -0.09 -0.04 1.90 1.76 1v9pA1 ARG 504 HB3 -0.01 -0.07 0.07 -0.04 1.80 1.75 1v9pA1 ARG 504 HG2 -0.00 0.43 0.25 -0.04 1.67 2.30 1v9pA1 ARG 504 HG3 -0.06 -0.03 0.09 -0.04 1.67 1.63 1v9pA1 ARG 504 HD2 -0.00 -0.02 -0.00 -0.04 3.22 3.15 1v9pA1 ARG 504 HD3 0.03 -0.12 0.01 -0.04 3.22 3.10 1v9pA1 GLY 505 H 0.02 -0.04 0.22 -0.55 8.43 8.08 1v9pA1 GLY 505 HA2 0.02 0.30 0.45 -0.51 4.01 4.28 1v9pA1 GLY 505 HA3 0.02 -0.27 0.45 -0.51 4.01 3.70 1v9pA1 LEU 506 H 0.03 0.99 0.15 -0.55 8.37 8.99 1v9pA1 LEU 506 HA 0.03 0.13 0.19 -0.75 4.35 3.95 1v9pA1 LEU 506 HB2 0.04 0.07 -0.64 -0.04 1.64 1.07 1v9pA1 LEU 506 HB3 0.05 -0.12 -0.29 -0.04 1.64 1.24 1v9pA1 LEU 506 HG 0.05 0.10 -0.30 -0.04 1.64 1.45 1v9pA1 LEU 506 HD13 0.09 -0.01 -0.37 -0.04 0.93 0.59 1v9pA1 LEU 506 HD23 0.05 0.01 -0.10 -0.04 0.89 0.81 1v9pA1 GLU 507 H 0.03 -0.01 -0.40 -0.55 8.60 7.67 1v9pA1 GLU 507 HA 0.05 0.07 0.27 -0.75 4.29 3.92 1v9pA1 GLU 507 HB2 0.01 -0.08 0.15 -0.04 2.09 2.14 1v9pA1 GLU 507 HB3 0.01 0.04 0.05 -0.04 1.99 2.05 1v9pA1 GLU 507 HG2 0.01 0.05 0.09 -0.04 2.34 2.46 1v9pA1 GLU 507 HG3 0.03 -0.04 0.07 -0.04 2.34 2.36 1v9pA1 ARG 508 H 0.02 0.06 -0.01 -0.55 8.46 7.97 1v9pA1 ARG 508 HA 0.07 0.04 0.35 -0.75 4.34 4.04 1v9pA1 ARG 508 HB2 -0.01 0.01 0.01 -0.04 1.90 1.87 1v9pA1 ARG 508 HB3 -0.01 0.21 -0.06 -0.04 1.80 1.89 1v9pA1 ARG 508 HG2 -0.00 0.12 0.12 -0.04 1.67 1.87 1v9pA1 ARG 508 HG3 -0.00 -0.20 0.12 -0.04 1.67 1.55 1v9pA1 ARG 508 HD2 -0.01 -0.08 0.07 -0.04 3.22 3.17 1v9pA1 ARG 508 HD3 -0.00 -0.15 0.09 -0.04 3.22 3.12 1v9pA1 LEU 509 H 0.02 0.34 -0.75 -0.55 8.37 7.43 1v9pA1 LEU 509 HA -0.07 0.06 0.36 -0.75 4.35 3.95 1v9pA1 LEU 509 HB2 -0.00 0.15 -0.27 -0.04 1.64 1.48 1v9pA1 LEU 509 HB3 0.03 -0.00 -0.05 -0.04 1.64 1.58 1v9pA1 LEU 509 HG 0.01 0.16 -0.11 -0.04 1.64 1.65 1v9pA1 LEU 509 HD13 0.04 -0.04 -0.20 -0.04 0.93 0.68 1v9pA1 LEU 509 HD23 0.04 -0.01 -0.04 -0.04 0.89 0.84 1v9pA1 LEU 510 H 0.06 0.72 -0.01 -0.55 8.37 8.60 1v9pA1 LEU 510 HA 0.11 0.01 0.38 -0.75 4.35 4.10 1v9pA1 LEU 510 HB2 0.09 0.10 0.12 -0.04 1.64 1.91 1v9pA1 LEU 510 HB3 0.09 -0.08 -0.04 -0.04 1.64 1.56 1v9pA1 LEU 510 HG 0.07 0.18 0.03 -0.04 1.64 1.88 1v9pA1 LEU 510 HD13 0.08 -0.04 -0.18 -0.04 0.93 0.75 1v9pA1 LEU 510 HD23 0.10 -0.02 -0.08 -0.04 0.89 0.84 1v9pA1 TYR 511 H 0.16 0.35 -0.32 -0.55 8.29 7.93 1v9pA1 TYR 511 HA 0.05 0.09 0.31 -0.75 4.56 4.26 1v9pA1 TYR 511 HB2 0.00 -0.10 -0.05 -0.04 3.06 2.86 1v9pA1 TYR 511 HB3 -0.05 0.19 0.05 -0.04 2.98 3.13 1v9pA1 TYR 511 HD2 -0.01 0.21 -0.19 -0.04 7.15 7.11 1v9pA1 TYR 511 HE2 0.05 -0.12 -0.15 -0.04 6.85 6.58 1v9pA1 ALA 512 H -0.08 0.34 -0.35 -0.55 8.40 7.77 1v9pA1 ALA 512 HA -0.64 0.05 0.35 -0.75 4.34 3.34 1v9pA1 ALA 512 HB3 -0.36 0.01 0.13 -0.04 1.41 1.16 1v9pA1 LEU 513 H 0.06 0.39 -0.25 -0.55 8.37 8.03 1v9pA1 LEU 513 HA 0.14 0.06 0.45 -0.75 4.35 4.26 1v9pA1 LEU 513 HB2 0.20 0.06 0.01 -0.04 1.64 1.87 1v9pA1 LEU 513 HB3 0.25 -0.04 0.10 -0.04 1.64 1.91 1v9pA1 LEU 513 HG 0.03 -0.07 -0.05 -0.04 1.64 1.52 1v9pA1 LEU 513 HD13 0.22 0.10 -0.07 -0.04 0.93 1.13 1v9pA1 LEU 513 HD23 -0.06 -0.01 -0.07 -0.04 0.89 0.70 1v9pA1 GLY 514 H 0.09 0.28 -0.96 -0.55 8.43 7.29 1v9pA1 GLY 514 HA2 0.10 0.05 0.26 -0.51 4.01 3.91 1v9pA1 GLY 514 HA3 0.09 -0.04 0.25 -0.51 4.01 3.80 1v9pA1 LEU 515 H 0.07 0.15 -0.07 -0.55 8.37 7.98 1v9pA1 LEU 515 HA -0.01 0.22 0.68 -0.75 4.35 4.49 1v9pA1 LEU 515 HB2 0.01 -0.08 -0.02 -0.04 1.64 1.51 1v9pA1 LEU 515 HB3 -0.08 -0.03 0.01 -0.04 1.64 1.50 1v9pA1 LEU 515 HG 0.09 0.14 -0.23 -0.04 1.64 1.60 1v9pA1 LEU 515 HD13 0.06 0.02 -0.06 -0.04 0.93 0.91 1v9pA1 LEU 515 HD23 -0.44 -0.01 -0.04 -0.04 0.89 0.37 1v9pA1 PRO 516 HA -0.02 0.06 0.36 -0.51 4.44 4.33 1v9pA1 PRO 516 HB2 -0.04 -0.02 0.08 -0.04 2.28 2.26 1v9pA1 PRO 516 HB3 -0.04 0.07 0.07 -0.04 2.02 2.08 1v9pA1 PRO 516 HG2 -0.06 -0.05 0.02 -0.04 2.03 1.89 1v9pA1 PRO 516 HG3 -0.07 0.05 -0.08 -0.04 2.03 1.88 1v9pA1 PRO 516 HD2 -0.10 0.06 0.16 -0.04 3.68 3.76 1v9pA1 PRO 516 HD3 -0.07 0.23 0.18 -0.04 3.65 3.95 1v9pA1 GLY 517 H 0.01 0.27 0.17 -0.55 8.43 8.34 1v9pA1 GLY 517 HA2 0.01 -0.02 0.33 -0.51 4.01 3.83 1v9pA1 GLY 517 HA3 0.00 0.12 0.72 -0.51 4.01 4.35 1v9pA1 VAL 518 H 0.02 0.22 -0.68 -0.55 8.24 7.25 1v9pA1 VAL 518 HA 0.05 -0.04 0.19 -0.75 4.13 3.58 1v9pA1 VAL 518 HB 0.03 0.00 -0.13 -0.04 2.12 1.98 1v9pA1 VAL 518 HG13 0.08 0.12 0.03 -0.04 0.97 1.16 1v9pA1 VAL 518 HG23 0.08 0.02 -0.36 -0.04 0.95 0.65 1v9pA1 GLY 519 H 0.06 0.14 0.35 -0.55 8.43 8.44 1v9pA1 GLY 519 HA2 0.18 0.22 0.54 -0.51 4.01 4.45 1v9pA1 GLY 519 HA3 0.06 -0.01 0.40 -0.51 4.01 3.94 1v9pA1 GLU 520 H -0.10 0.21 0.15 -0.55 8.60 8.32 1v9pA1 GLU 520 HA -0.39 0.14 0.32 -0.75 4.29 3.61 1v9pA1 GLU 520 HB2 -0.71 0.08 0.15 -0.04 2.09 1.56 1v9pA1 GLU 520 HB3 -0.22 -0.05 0.10 -0.04 1.99 1.78 1v9pA1 GLU 520 HG2 -0.19 -0.05 -0.14 -0.04 2.34 1.91 1v9pA1 GLU 520 HG3 -0.43 0.10 0.08 -0.04 2.34 2.04 1v9pA1 VAL 521 H -0.05 0.05 -0.29 -0.55 8.24 7.39 1v9pA1 VAL 521 HA -0.04 0.14 0.66 -0.75 4.13 4.14 1v9pA1 VAL 521 HB -0.03 0.03 0.05 -0.04 2.12 2.13 1v9pA1 VAL 521 HG13 -0.01 0.02 0.02 -0.04 0.97 0.95 1v9pA1 VAL 521 HG23 -0.01 0.02 -0.07 -0.04 0.95 0.85 1v9pA1 LEU 522 H 0.01 0.00 -0.10 -0.55 8.37 7.74 1v9pA1 LEU 522 HA 0.02 0.15 0.30 -0.75 4.35 4.06 1v9pA1 LEU 522 HB2 0.03 -0.03 0.13 -0.04 1.64 1.73 1v9pA1 LEU 522 HB3 0.05 -0.07 0.07 -0.04 1.64 1.65 1v9pA1 LEU 522 HG 0.03 0.05 -0.16 -0.04 1.64 1.51 1v9pA1 LEU 522 HD13 0.04 -0.01 -0.18 -0.04 0.93 0.74 1v9pA1 LEU 522 HD23 0.02 0.01 -0.21 -0.04 0.89 0.67 1v9pA1 ALA 523 H 0.04 0.50 -0.62 -0.55 8.40 7.77 1v9pA1 ALA 523 HA 0.07 0.08 0.34 -0.75 4.34 4.08 1v9pA1 ALA 523 HB3 0.10 0.06 -0.15 -0.04 1.41 1.38 1v9pA1 ARG 524 H 0.01 0.41 -0.09 -0.55 8.46 8.24 1v9pA1 ARG 524 HA 0.03 -0.08 0.47 -0.75 4.34 4.00 1v9pA1 ARG 524 HB2 -0.01 0.12 0.20 -0.04 1.90 2.17 1v9pA1 ARG 524 HB3 -0.01 0.10 0.20 -0.04 1.80 2.05 1v9pA1 ARG 524 HG2 -0.00 0.01 -0.08 -0.04 1.67 1.55 1v9pA1 ARG 524 HG3 0.00 -0.10 0.09 -0.04 1.67 1.62 1v9pA1 ARG 524 HD2 -0.02 0.03 0.04 -0.04 3.22 3.23 1v9pA1 ARG 524 HD3 -0.01 -0.00 0.02 -0.04 3.22 3.18 1v9pA1 ASN 525 H 0.02 0.67 -0.15 -0.55 8.53 8.53 1v9pA1 ASN 525 HA 0.01 -0.03 0.32 -0.75 4.76 4.31 1v9pA1 ASN 525 HB2 0.02 0.11 0.03 -0.04 2.88 3.00 1v9pA1 ASN 525 HB3 0.02 -0.03 0.05 -0.04 2.79 2.79 1v9pA1 ASN 525 HD21 -0.00 -0.05 0.01 -0.04 7.03 6.94 1v9pA1 ASN 525 HD22 0.00 0.00 0.07 -0.04 7.74 7.77 1v9pA1 LEU 526 H 0.06 0.29 -1.27 -0.55 8.37 6.90 1v9pA1 LEU 526 HA 0.18 0.13 0.73 -0.75 4.35 4.64 1v9pA1 LEU 526 HB2 0.09 0.20 0.18 -0.04 1.64 2.07 1v9pA1 LEU 526 HB3 0.12 -0.06 -0.07 -0.04 1.64 1.59 1v9pA1 LEU 526 HG 0.16 -0.06 -0.05 -0.04 1.64 1.65 1v9pA1 LEU 526 HD13 0.13 0.03 -0.09 -0.04 0.93 0.96 1v9pA1 LEU 526 HD23 0.04 -0.01 -0.11 -0.04 0.89 0.77 1v9pA1 ALA 527 H 0.08 0.45 0.14 -0.55 8.40 8.53 1v9pA1 ALA 527 HA 0.14 0.05 0.29 -0.75 4.34 4.07 1v9pA1 ALA 527 HB3 0.06 0.01 -0.08 -0.04 1.41 1.36 1v9pA1 ARG 528 H 0.03 0.60 -0.01 -0.55 8.46 8.53 1v9pA1 ARG 528 HA 0.01 0.01 0.40 -0.75 4.34 4.01 1v9pA1 ARG 528 HB2 -0.01 0.06 0.00 -0.04 1.90 1.91 1v9pA1 ARG 528 HB3 -0.02 0.00 -0.03 -0.04 1.80 1.71 1v9pA1 ARG 528 HG2 -0.00 -0.03 0.03 -0.04 1.67 1.63 1v9pA1 ARG 528 HG3 0.01 0.08 0.04 -0.04 1.67 1.76 1v9pA1 ARG 528 HD2 -0.01 0.01 -0.08 -0.04 3.22 3.10 1v9pA1 ARG 528 HD3 -0.01 0.00 -0.02 -0.04 3.22 3.14 1v9pA1 ARG 529 H -0.03 0.20 -0.57 -0.55 8.46 7.51 1v9pA1 ARG 529 HA -0.22 0.07 0.47 -0.75 4.34 3.91 1v9pA1 ARG 529 HB2 -0.19 -0.04 0.06 -0.04 1.90 1.69 1v9pA1 ARG 529 HB3 -0.24 0.15 0.06 -0.04 1.80 1.72 1v9pA1 ARG 529 HG2 -0.42 0.06 0.01 -0.04 1.67 1.28 1v9pA1 ARG 529 HG3 -1.60 -0.01 -0.03 -0.04 1.67 -0.02 1v9pA1 ARG 529 HD2 -0.37 -0.01 0.15 -0.04 3.22 2.94 1v9pA1 ARG 529 HD3 -0.23 -0.03 0.04 -0.04 3.22 2.96 1v9pA1 PHE 530 H 0.07 0.20 -0.46 -0.55 8.34 7.59 1v9pA1 PHE 530 HA 0.01 0.19 0.83 -0.75 4.62 4.90 1v9pA1 PHE 530 HB2 0.02 0.06 -0.05 -0.04 3.15 3.14 1v9pA1 PHE 530 HB3 0.01 -0.17 0.09 -0.04 3.06 2.96 1v9pA1 PHE 530 HD2 0.01 0.18 -0.09 -0.04 7.28 7.34 1v9pA1 PHE 530 HE2 0.00 -0.05 -0.06 -0.04 7.38 7.23 1v9pA1 PHE 530 HZ 0.00 -0.04 -0.23 -0.04 7.32 7.01 1v9pA1 GLY 531 H 0.08 0.60 0.12 -0.55 8.43 8.69 1v9pA1 GLY 531 HA2 0.05 -0.03 0.48 -0.51 4.01 4.00 1v9pA1 GLY 531 HA3 0.05 0.06 0.38 -0.51 4.01 3.99 1v9pA1 THR 532 H 0.12 0.76 -0.31 -0.55 8.28 8.31 1v9pA1 THR 532 HA 0.05 0.41 0.98 -0.75 4.39 5.08 1v9pA1 THR 532 HB 0.03 -0.07 0.11 -0.04 4.32 4.36 1v9pA1 THR 532 HG23 0.03 -0.01 -0.17 -0.04 1.22 1.03 1v9pA1 MET 533 H 0.03 0.52 0.25 -0.55 8.47 8.72 1v9pA1 MET 533 HA 0.03 0.06 0.31 -0.75 4.52 4.17 1v9pA1 MET 533 HB2 0.02 0.07 0.17 -0.04 2.15 2.37 1v9pA1 MET 533 HB3 0.01 -0.07 0.13 -0.04 2.03 2.06 1v9pA1 MET 533 HG2 0.00 0.04 -0.03 -0.04 2.63 2.60 1v9pA1 MET 533 HG3 0.05 0.00 -0.13 -0.04 2.56 2.44 1v9pA1 MET 533 HE3 0.23 -0.01 -0.06 -0.04 2.10 2.22 1v9pA1 ASP 534 H 0.02 0.09 -0.15 -0.55 8.40 7.81 1v9pA1 ASP 534 HA 0.01 0.07 0.26 -0.75 4.63 4.22 1v9pA1 ASP 534 HB2 0.02 -0.07 0.04 -0.04 2.71 2.67 1v9pA1 ASP 534 HB3 0.02 0.05 -0.03 -0.04 2.70 2.70 1v9pA1 ARG 535 H 0.04 0.04 -0.20 -0.55 8.46 7.79 1v9pA1 ARG 535 HA 0.06 -0.00 0.34 -0.75 4.34 3.98 1v9pA1 ARG 535 HB2 0.10 -0.08 0.20 -0.04 1.90 2.07 1v9pA1 ARG 535 HB3 0.17 0.08 0.28 -0.04 1.80 2.29 1v9pA1 ARG 535 HG2 0.21 0.05 0.10 -0.04 1.67 1.98 1v9pA1 ARG 535 HG3 0.45 -0.00 -0.11 -0.04 1.67 1.97 1v9pA1 ARG 535 HD2 0.10 -0.01 0.06 -0.04 3.22 3.32 1v9pA1 ARG 535 HD3 0.09 -0.04 0.03 -0.04 3.22 3.25 1v9pA1 LEU 536 H -0.03 0.48 -0.03 -0.55 8.37 8.24 1v9pA1 LEU 536 HA -1.03 -0.02 0.33 -0.75 4.35 2.87 1v9pA1 LEU 536 HB2 -0.27 -0.04 -0.02 -0.04 1.64 1.28 1v9pA1 LEU 536 HB3 -0.12 0.09 0.09 -0.04 1.64 1.66 1v9pA1 LEU 536 HG -0.21 0.03 -0.28 -0.04 1.64 1.14 1v9pA1 LEU 536 HD13 -0.70 -0.01 -0.04 -0.04 0.93 0.13 1v9pA1 LEU 536 HD23 -0.05 -0.01 -0.14 -0.04 0.89 0.64 1v9pA1 LEU 537 H -0.06 0.85 -0.12 -0.55 8.37 8.50 1v9pA1 LEU 537 HA -0.05 -0.03 0.35 -0.75 4.35 3.86 1v9pA1 LEU 537 HB2 0.00 0.16 0.09 -0.04 1.64 1.86 1v9pA1 LEU 537 HB3 0.01 -0.06 0.02 -0.04 1.64 1.58 1v9pA1 LEU 537 HG 0.07 -0.02 -0.07 -0.04 1.64 1.58 1v9pA1 LEU 537 HD13 0.04 -0.05 -0.08 -0.04 0.93 0.80 1v9pA1 LEU 537 HD23 0.16 -0.01 0.01 -0.04 0.89 1.01 1v9pA1 GLU 538 H -0.07 0.70 -0.56 -0.55 8.60 8.12 1v9pA1 GLU 538 HA -0.02 0.10 0.86 -0.75 4.29 4.48 1v9pA1 GLU 538 HB2 0.01 0.16 0.14 -0.04 2.09 2.36 1v9pA1 GLU 538 HB3 0.01 -0.15 0.16 -0.04 1.99 1.98 1v9pA1 GLU 538 HG2 0.00 0.03 -0.13 -0.04 2.34 2.20 1v9pA1 GLU 538 HG3 0.01 -0.12 -0.02 -0.04 2.34 2.18 1v9pA1 ALA 539 H -0.17 0.79 -0.09 -0.55 8.40 8.38 1v9pA1 ALA 539 HA 0.04 -0.06 0.40 -0.75 4.34 3.97 1v9pA1 ALA 539 HB3 -0.37 -0.04 0.07 -0.04 1.41 1.03 1v9pA1 SER 540 H 0.09 0.05 0.15 -0.55 8.46 8.20 1v9pA1 SER 540 HA 0.01 0.31 0.87 -0.75 4.49 4.92 1v9pA1 SER 540 HB2 0.02 -0.11 0.13 -0.04 3.95 3.95 1v9pA1 SER 540 HB3 0.03 0.20 0.01 -0.04 3.93 4.13 1v9pA1 LEU 541 H 0.01 0.20 0.11 -0.55 8.37 8.14 1v9pA1 LEU 541 HA 0.01 0.14 0.30 -0.75 4.35 4.04 1v9pA1 LEU 541 HB2 -0.00 0.09 0.13 -0.04 1.64 1.81 1v9pA1 LEU 541 HB3 0.01 -0.10 0.15 -0.04 1.64 1.66 1v9pA1 LEU 541 HG 0.00 -0.02 -0.12 -0.04 1.64 1.46 1v9pA1 LEU 541 HD13 -0.00 0.02 -0.08 -0.04 0.93 0.82 1v9pA1 LEU 541 HD23 -0.00 0.02 0.01 -0.04 0.89 0.87 1v9pA1 GLU 542 H 0.02 0.10 -0.06 -0.55 8.60 8.12 1v9pA1 GLU 542 HA 0.02 0.06 0.35 -0.75 4.29 3.96 1v9pA1 GLU 542 HB2 0.02 -0.05 0.09 -0.04 2.09 2.11 1v9pA1 GLU 542 HB3 0.02 0.07 0.03 -0.04 1.99 2.06 1v9pA1 GLU 542 HG2 0.01 0.07 0.04 -0.04 2.34 2.42 1v9pA1 GLU 542 HG3 0.01 0.02 0.06 -0.04 2.34 2.38 1v9pA1 GLU 543 H 0.06 0.00 -0.22 -0.55 8.60 7.90 1v9pA1 GLU 543 HA 0.05 0.03 0.28 -0.75 4.29 3.90 1v9pA1 GLU 543 HB2 0.15 -0.24 0.16 -0.04 2.09 2.11 1v9pA1 GLU 543 HB3 0.30 0.13 -0.01 -0.04 1.99 2.37 1v9pA1 GLU 543 HG2 0.06 0.06 0.05 -0.04 2.34 2.47 1v9pA1 GLU 543 HG3 0.06 -0.10 0.06 -0.04 2.34 2.32 1v9pA1 LEU 544 H 0.09 0.47 -0.48 -0.55 8.37 7.90 1v9pA1 LEU 544 HA 0.19 0.06 0.46 -0.75 4.35 4.30 1v9pA1 LEU 544 HB2 0.03 0.10 0.14 -0.04 1.64 1.87 1v9pA1 LEU 544 HB3 0.04 -0.10 -0.04 -0.04 1.64 1.50 1v9pA1 LEU 544 HG 0.05 -0.01 -0.10 -0.04 1.64 1.53 1v9pA1 LEU 544 HD13 -0.04 -0.01 -0.22 -0.04 0.93 0.62 1v9pA1 LEU 544 HD23 0.00 -0.00 -0.08 -0.04 0.89 0.77 1v9pA1 LEU 545 H 0.04 0.53 0.12 -0.55 8.37 8.51 1v9pA1 LEU 545 HA 0.02 0.06 0.35 -0.75 4.35 4.02 1v9pA1 LEU 545 HB2 0.02 0.02 0.16 -0.04 1.64 1.80 1v9pA1 LEU 545 HB3 0.01 -0.06 0.02 -0.04 1.64 1.57 1v9pA1 LEU 545 HG 0.01 0.24 -0.02 -0.04 1.64 1.83 1v9pA1 LEU 545 HD13 0.01 -0.04 -0.04 -0.04 0.93 0.82 1v9pA1 LEU 545 HD23 0.01 -0.03 -0.11 -0.04 0.89 0.72 1v9pA1 GLU 546 H 0.02 0.48 -0.14 -0.55 8.60 8.42 1v9pA1 GLU 546 HA 0.00 -0.07 0.24 -0.75 4.29 3.70 1v9pA1 GLU 546 HB2 -0.01 0.19 -0.04 -0.04 2.09 2.19 1v9pA1 GLU 546 HB3 -0.01 -0.09 0.10 -0.04 1.99 1.95 1v9pA1 GLU 546 HG2 0.00 -0.10 -0.01 -0.04 2.34 2.19 1v9pA1 GLU 546 HG3 0.02 0.46 -0.09 -0.04 2.34 2.69 1v9pA1 VAL 547 H 0.03 0.40 -1.11 -0.55 8.24 7.02 1v9pA1 VAL 547 HA -0.01 0.07 0.86 -0.75 4.13 4.29 1v9pA1 VAL 547 HB 0.05 0.05 0.07 -0.04 2.12 2.25 1v9pA1 VAL 547 HG13 0.03 -0.01 -0.07 -0.04 0.97 0.88 1v9pA1 VAL 547 HG23 0.06 0.01 0.00 -0.04 0.95 0.99 1v9pA1 GLU 548 H -0.00 0.14 0.17 -0.55 8.60 8.36 1v9pA1 GLU 548 HA 0.00 0.01 0.45 -0.75 4.29 3.99 1v9pA1 GLU 548 HB2 -0.01 0.03 0.17 -0.04 2.09 2.25 1v9pA1 GLU 548 HB3 0.00 -0.01 0.20 -0.04 1.99 2.14 1v9pA1 GLU 548 HG2 0.00 -0.01 -0.17 -0.04 2.34 2.12 1v9pA1 GLU 548 HG3 -0.00 -0.00 0.01 -0.04 2.34 2.30 1v9pA1 GLU 549 H 0.01 0.19 0.24 -0.55 8.60 8.49 1v9pA1 GLU 549 HA 0.01 -0.03 0.30 -0.75 4.29 3.81 1v9pA1 GLU 549 HB2 0.01 0.38 0.45 -0.04 2.09 2.89 1v9pA1 GLU 549 HB3 0.01 -0.08 0.20 -0.04 1.99 2.08 1v9pA1 GLU 549 HG2 0.00 -0.02 -0.03 -0.04 2.34 2.26 1v9pA1 GLU 549 HG3 0.00 -0.06 -0.45 -0.04 2.34 1.80 1v9pA1 VAL 550 H 0.01 0.62 -0.16 -0.55 8.24 8.16 1v9pA1 VAL 550 HA 0.01 0.03 0.73 -0.75 4.13 4.15 1v9pA1 VAL 550 HB 0.03 0.29 0.20 -0.04 2.12 2.60 1v9pA1 VAL 550 HG13 0.02 -0.05 -0.27 -0.04 0.97 0.64 1v9pA1 VAL 550 HG23 0.04 -0.01 -0.20 -0.04 0.95 0.74 1v9pA1 GLY 551 H 0.00 0.14 0.13 -0.55 8.43 8.16 1v9pA1 GLY 551 HA2 0.00 0.22 0.68 -0.51 4.01 4.40 1v9pA1 GLY 551 HA3 -0.00 0.00 0.34 -0.51 4.01 3.84 1v9pA1 GLU 552 H -0.00 0.21 0.17 -0.55 8.60 8.43 1v9pA1 GLU 552 HA -0.00 0.10 0.38 -0.75 4.29 4.01 1v9pA1 GLU 552 HB2 -0.00 0.06 0.15 -0.04 2.09 2.25 1v9pA1 GLU 552 HB3 -0.01 -0.02 0.12 -0.04 1.99 2.04 1v9pA1 GLU 552 HG2 -0.01 0.00 -0.18 -0.04 2.34 2.11 1v9pA1 GLU 552 HG3 -0.00 0.00 0.04 -0.04 2.34 2.34 1v9pA1 LEU 553 H -0.01 0.06 -0.23 -0.55 8.37 7.64 1v9pA1 LEU 553 HA -0.02 0.12 0.41 -0.75 4.35 4.11 1v9pA1 LEU 553 HB2 -0.01 -0.02 0.08 -0.04 1.64 1.64 1v9pA1 LEU 553 HB3 -0.02 0.00 -0.00 -0.04 1.64 1.58 1v9pA1 LEU 553 HG -0.03 0.04 -0.06 -0.04 1.64 1.55 1v9pA1 LEU 553 HD13 -0.03 0.01 0.02 -0.04 0.93 0.89 1v9pA1 LEU 553 HD23 -0.02 0.01 -0.02 -0.04 0.89 0.82 1v9pA1 THR 554 H -0.01 0.07 -0.18 -0.55 8.28 7.62 1v9pA1 THR 554 HA -0.02 0.16 0.62 -0.75 4.39 4.40 1v9pA1 THR 554 HB -0.01 0.11 0.06 -0.04 4.32 4.44 1v9pA1 THR 554 HG23 -0.01 0.00 0.01 -0.04 1.22 1.18 1v9pA1 ALA 555 H -0.01 0.66 -0.13 -0.55 8.40 8.38 1v9pA1 ALA 555 HA -0.01 0.07 0.31 -0.75 4.34 3.96 1v9pA1 ALA 555 HB3 0.00 0.03 -0.05 -0.04 1.41 1.35 1v9pA1 ARG 556 H -0.02 0.50 -0.13 -0.55 8.46 8.26 1v9pA1 ARG 556 HA -0.02 0.01 0.33 -0.75 4.34 3.90 1v9pA1 ARG 556 HB2 -0.02 -0.02 0.12 -0.04 1.90 1.94 1v9pA1 ARG 556 HB3 -0.02 0.11 0.04 -0.04 1.80 1.88 1v9pA1 ARG 556 HG2 -0.02 0.03 -0.02 -0.04 1.67 1.61 1v9pA1 ARG 556 HG3 -0.02 -0.03 0.09 -0.04 1.67 1.67 1v9pA1 ARG 556 HD2 -0.02 0.01 -0.00 -0.04 3.22 3.17 1v9pA1 ARG 556 HD3 -0.02 -0.00 0.01 -0.04 3.22 3.17 1v9pA1 ALA 557 H -0.03 0.20 -0.93 -0.55 8.40 7.09 1v9pA1 ALA 557 HA -0.05 0.07 0.59 -0.75 4.34 4.20 1v9pA1 ALA 557 HB3 -0.04 0.07 0.15 -0.04 1.41 1.55 1v9pA1 ILE 558 H -0.05 0.67 0.18 -0.55 8.25 8.50 1v9pA1 ILE 558 HA -0.12 -0.02 0.39 -0.75 4.18 3.68 1v9pA1 ILE 558 HB -0.06 0.10 0.12 -0.04 1.89 2.01 1v9pA1 ILE 558 HG12 -0.06 -0.07 -0.01 -0.04 1.49 1.31 1v9pA1 ILE 558 HG13 -0.04 0.20 0.09 -0.04 1.21 1.43 1v9pA1 ILE 558 HG23 -0.12 -0.01 -0.16 -0.04 0.93 0.61 1v9pA1 ILE 558 HD13 -0.01 -0.02 -0.12 -0.04 0.88 0.68 1v9pA1 LEU 559 H -0.06 0.51 -0.45 -0.55 8.37 7.83 1v9pA1 LEU 559 HA -0.08 0.06 0.24 -0.75 4.35 3.81 1v9pA1 LEU 559 HB2 -0.04 0.09 -0.04 -0.04 1.64 1.61 1v9pA1 LEU 559 HB3 -0.04 0.10 -0.09 -0.04 1.64 1.57 1v9pA1 LEU 559 HG -0.04 0.02 -0.05 -0.04 1.64 1.53 1v9pA1 LEU 559 HD13 -0.04 0.00 -0.21 -0.04 0.93 0.65 1v9pA1 LEU 559 HD23 -0.02 -0.03 -0.05 -0.04 0.89 0.74 1v9pA1 GLU 560 H -0.06 0.57 -0.35 -0.55 8.60 8.21 1v9pA1 GLU 560 HA -0.03 0.08 0.64 -0.75 4.29 4.23 1v9pA1 GLU 560 HB2 -0.03 0.13 0.16 -0.04 2.09 2.30 1v9pA1 GLU 560 HB3 -0.04 0.01 0.06 -0.04 1.99 1.97 1v9pA1 GLU 560 HG2 -0.00 -0.02 0.02 -0.04 2.34 2.30 1v9pA1 GLU 560 HG3 0.01 -0.05 0.02 -0.04 2.34 2.28 1v9pA1 THR 561 H -0.12 0.43 0.01 -0.55 8.28 8.04 1v9pA1 THR 561 HA -0.09 -0.01 0.46 -0.75 4.39 3.99 1v9pA1 THR 561 HB -0.27 0.05 0.20 -0.04 4.32 4.26 1v9pA1 THR 561 HG23 -0.63 0.00 -0.17 -0.04 1.22 0.38 1v9pA1 LEU 562 H -0.28 0.60 -0.03 -0.55 8.37 8.12 1v9pA1 LEU 562 HA -0.43 -0.04 0.27 -0.75 4.35 3.39 1v9pA1 LEU 562 HB2 -0.13 0.10 0.01 -0.04 1.64 1.58 1v9pA1 LEU 562 HB3 -0.10 -0.00 -0.01 -0.04 1.64 1.48 1v9pA1 LEU 562 HG -0.25 0.30 0.05 -0.04 1.64 1.70 1v9pA1 LEU 562 HD13 -0.17 -0.01 -0.18 -0.04 0.93 0.53 1v9pA1 LEU 562 HD23 -0.37 -0.04 -0.07 -0.04 0.89 0.37 1v9pA1 LYS 563 H -0.06 0.21 -0.57 -0.55 8.42 7.45 1v9pA1 LYS 563 HA 0.02 0.09 0.56 -0.75 4.32 4.23 1v9pA1 LYS 563 HB2 -0.01 0.06 0.11 -0.04 1.87 1.99 1v9pA1 LYS 563 HB3 0.00 -0.12 0.10 -0.04 1.79 1.73 1v9pA1 LYS 563 HG2 -0.01 -0.00 0.02 -0.04 1.46 1.42 1v9pA1 LYS 563 HG3 -0.03 0.18 0.05 -0.04 1.46 1.62 1v9pA1 LYS 563 HD2 -0.02 -0.02 0.02 -0.04 1.69 1.63 1v9pA1 LYS 563 HD3 -0.01 -0.10 0.03 -0.04 1.68 1.56 1v9pA1 LYS 563 HE2 -0.02 0.02 0.01 -0.04 2.99 2.96 1v9pA1 LYS 563 HE3 -0.03 0.10 0.01 -0.04 2.99 3.03 1v9pA1 ASP 564 H 0.02 0.51 -0.23 -0.55 8.40 8.15 1v9pA1 ASP 564 HA 0.08 0.02 0.44 -0.75 4.63 4.41 1v9pA1 ASP 564 HB2 0.08 0.18 0.27 -0.04 2.71 3.19 1v9pA1 ASP 564 HB3 0.14 -0.09 0.21 -0.04 2.70 2.92 1v9pA1 PRO 565 HA 0.05 0.11 0.47 -0.51 4.44 4.56 1v9pA1 PRO 565 HB2 0.02 0.00 0.04 -0.04 2.28 2.30 1v9pA1 PRO 565 HB3 0.02 0.07 0.16 -0.04 2.02 2.23 1v9pA1 PRO 565 HG2 0.02 -0.07 0.15 -0.04 2.03 2.08 1v9pA1 PRO 565 HG3 -0.00 0.06 0.13 -0.04 2.03 2.17 1v9pA1 PRO 565 HD2 0.05 0.04 0.29 -0.04 3.68 4.02 1v9pA1 PRO 565 HD3 0.03 0.25 0.26 -0.04 3.65 4.15 1v9pA1 ALA 566 H 0.09 0.12 -0.15 -0.55 8.40 7.92 1v9pA1 ALA 566 HA 0.04 0.05 0.36 -0.75 4.34 4.04 1v9pA1 ALA 566 HB3 0.10 0.01 0.07 -0.04 1.41 1.55 1v9pA1 PHE 567 H 0.21 0.16 -0.24 -0.55 8.34 7.92 1v9pA1 PHE 567 HA 0.00 -0.01 0.31 -0.75 4.62 4.16 1v9pA1 PHE 567 HB2 0.00 -0.05 0.07 -0.04 3.15 3.13 1v9pA1 PHE 567 HB3 0.00 0.30 0.06 -0.04 3.06 3.38 1v9pA1 PHE 567 HD2 -0.01 0.08 -0.11 -0.04 7.28 7.20 1v9pA1 PHE 567 HE2 -0.01 0.05 -0.07 -0.04 7.38 7.30 1v9pA1 PHE 567 HZ -0.00 -0.01 -0.08 -0.04 7.32 7.18 1v9pA1 ARG 568 H 0.17 0.61 -0.14 -0.55 8.46 8.55 1v9pA1 ARG 568 HA 0.04 0.01 0.33 -0.75 4.34 3.97 1v9pA1 ARG 568 HB2 0.05 0.06 0.21 -0.04 1.90 2.17 1v9pA1 ARG 568 HB3 0.02 -0.10 0.01 -0.04 1.80 1.69 1v9pA1 ARG 568 HG2 0.11 0.27 -0.07 -0.04 1.67 1.94 1v9pA1 ARG 568 HG3 0.05 -0.06 0.00 -0.04 1.67 1.61 1v9pA1 ARG 568 HD2 0.04 -0.10 0.02 -0.04 3.22 3.14 1v9pA1 ARG 568 HD3 0.10 -0.10 0.05 -0.04 3.22 3.23 1v9pA1 ASP 569 H 0.00 0.77 -0.04 -0.55 8.40 8.58 1v9pA1 ASP 569 HA -0.03 -0.07 0.36 -0.75 4.63 4.13 1v9pA1 ASP 569 HB2 -0.00 0.02 0.12 -0.04 2.71 2.80 1v9pA1 ASP 569 HB3 -0.01 0.16 0.21 -0.04 2.70 3.02 1v9pA1 LEU 570 H -0.09 0.73 -0.04 -0.55 8.37 8.41 1v9pA1 LEU 570 HA -0.10 -0.10 0.33 -0.75 4.35 3.72 1v9pA1 LEU 570 HB2 -0.10 -0.06 0.05 -0.04 1.64 1.49 1v9pA1 LEU 570 HB3 -0.27 0.18 0.13 -0.04 1.64 1.63 1v9pA1 LEU 570 HG -0.22 0.05 -0.28 -0.04 1.64 1.15 1v9pA1 LEU 570 HD13 -0.12 -0.05 0.02 -0.04 0.93 0.74 1v9pA1 LEU 570 HD23 -0.12 0.01 -0.06 -0.04 0.89 0.68 1v9pA1 VAL 571 H -0.32 0.73 -0.14 -0.55 8.24 7.95 1v9pA1 VAL 571 HA -0.24 0.00 0.40 -0.75 4.13 3.54 1v9pA1 VAL 571 HB -0.22 0.18 0.20 -0.04 2.12 2.24 1v9pA1 VAL 571 HG13 -0.08 -0.03 -0.15 -0.04 0.97 0.67 1v9pA1 VAL 571 HG23 -0.68 0.01 -0.03 -0.04 0.95 0.22 1v9pA1 ARG 572 H -0.10 0.74 0.07 -0.55 8.46 8.62 1v9pA1 ARG 572 HA -0.06 -0.05 0.40 -0.75 4.34 3.88 1v9pA1 ARG 572 HB2 -0.04 0.10 0.11 -0.04 1.90 2.03 1v9pA1 ARG 572 HB3 -0.04 0.03 0.14 -0.04 1.80 1.89 1v9pA1 ARG 572 HG2 -0.03 -0.04 -0.06 -0.04 1.67 1.50 1v9pA1 ARG 572 HG3 -0.03 -0.03 0.04 -0.04 1.67 1.61 1v9pA1 ARG 572 HD2 -0.02 0.00 -0.02 -0.04 3.22 3.14 1v9pA1 ARG 572 HD3 -0.01 -0.03 -0.02 -0.04 3.22 3.12 1v9pA1 ARG 573 H -0.06 0.59 -0.06 -0.55 8.46 8.38 1v9pA1 ARG 573 HA -0.02 -0.03 0.27 -0.75 4.34 3.81 1v9pA1 ARG 573 HB2 -0.05 0.13 0.04 -0.04 1.90 1.98 1v9pA1 ARG 573 HB3 0.00 -0.07 -0.04 -0.04 1.80 1.65 1v9pA1 ARG 573 HG2 0.01 -0.03 0.01 -0.04 1.67 1.61 1v9pA1 ARG 573 HG3 -0.02 0.08 0.03 -0.04 1.67 1.72 1v9pA1 ARG 573 HD2 0.03 -0.04 -0.06 -0.04 3.22 3.12 1v9pA1 ARG 573 HD3 0.00 -0.02 -0.04 -0.04 3.22 3.12 1v9pA1 LEU 574 H -0.12 0.42 -0.62 -0.55 8.37 7.50 1v9pA1 LEU 574 HA -0.27 0.03 0.58 -0.75 4.35 3.94 1v9pA1 LEU 574 HB2 -0.15 0.20 0.23 -0.04 1.64 1.87 1v9pA1 LEU 574 HB3 -0.19 -0.03 -0.03 -0.04 1.64 1.35 1v9pA1 LEU 574 HG -0.19 -0.14 -0.05 -0.04 1.64 1.23 1v9pA1 LEU 574 HD13 -0.15 0.05 -0.14 -0.04 0.93 0.65 1v9pA1 LEU 574 HD23 -0.22 -0.01 -0.10 -0.04 0.89 0.51 1v9pA1 LYS 575 H -0.10 0.60 0.17 -0.55 8.42 8.54 1v9pA1 LYS 575 HA -0.09 0.19 0.52 -0.75 4.32 4.19 1v9pA1 LYS 575 HB2 -0.06 -0.02 0.14 -0.04 1.87 1.89 1v9pA1 LYS 575 HB3 -0.05 0.08 0.26 -0.04 1.79 2.04 1v9pA1 LYS 575 HG2 -0.03 -0.02 -0.21 -0.04 1.46 1.15 1v9pA1 LYS 575 HG3 -0.04 0.01 0.04 -0.04 1.46 1.43 1v9pA1 LYS 575 HD2 -0.02 -0.03 0.02 -0.04 1.69 1.61 1v9pA1 LYS 575 HD3 -0.02 -0.00 -0.00 -0.04 1.68 1.61 1v9pA1 LYS 575 HE2 -0.01 0.00 -0.03 -0.04 2.99 2.91 1v9pA1 LYS 575 HE3 -0.01 -0.02 -0.00 -0.04 2.99 2.92 1v9pA1 GLU 576 H -0.06 0.71 0.00 -0.55 8.60 8.71 1v9pA1 GLU 576 HA -0.03 -0.01 0.31 -0.75 4.29 3.80 1v9pA1 GLU 576 HB2 -0.01 0.08 -0.03 -0.04 2.09 2.08 1v9pA1 GLU 576 HB3 0.00 -0.03 0.11 -0.04 1.99 2.03 1v9pA1 GLU 576 HG2 -0.01 -0.04 0.02 -0.04 2.34 2.27 1v9pA1 GLU 576 HG3 -0.02 0.01 0.01 -0.04 2.34 2.29 1v9pA1 ALA 577 H -0.12 0.29 -1.26 -0.55 8.40 6.76 1v9pA1 ALA 577 HA -0.02 0.10 0.85 -0.75 4.34 4.52 1v9pA1 ALA 577 HB3 -0.25 0.03 0.08 -0.04 1.41 1.23 1v9pA1 GLY 578 H -0.09 0.77 0.21 -0.55 8.43 8.77 1v9pA1 GLY 578 HA2 -0.06 -0.06 0.31 -0.51 4.01 3.70 1v9pA1 GLY 578 HA3 -0.07 0.09 0.67 -0.51 4.01 4.19 1v9pA1 VAL 579 H -0.21 0.34 0.09 -0.55 8.24 7.92 1v9pA1 VAL 579 HA -0.16 0.14 0.69 -0.75 4.13 4.04 1v9pA1 VAL 579 HB -0.19 -0.10 -0.09 -0.04 2.12 1.69 1v9pA1 VAL 579 HG13 -0.06 0.03 -0.11 -0.04 0.97 0.80 1v9pA1 VAL 579 HG23 -0.58 -0.01 0.00 -0.04 0.95 0.33 1v9pA1 SER 580 H -0.08 0.69 0.34 -0.55 8.46 8.86 1v9pA1 SER 580 HA -0.02 -0.07 0.42 -0.75 4.49 4.06 1v9pA1 SER 580 HB2 0.02 0.05 0.15 -0.04 3.95 4.13 1v9pA1 SER 580 HB3 0.01 0.19 0.12 -0.04 3.93 4.21 1v9pA1 MET 581 H -0.00 0.09 0.18 -0.55 8.47 8.19 1v9pA1 MET 581 HA 0.00 0.27 0.86 -0.75 4.52 4.89 1v9pA1 MET 581 HB2 0.00 -0.04 0.17 -0.04 2.15 2.24 1v9pA1 MET 581 HB3 0.01 -0.22 0.27 -0.04 2.03 2.04 1v9pA1 MET 581 HG2 -0.03 0.33 -0.14 -0.04 2.63 2.75 1v9pA1 MET 581 HG3 -0.03 -0.05 0.06 -0.04 2.56 2.50 1v9pA1 MET 581 HE3 -0.04 0.07 -0.17 -0.04 2.10 1.91 1v9pA1 GLU 582 H 0.02 0.18 -0.13 -0.55 8.60 8.13 1v9pA1 GLU 582 HA 0.03 0.52 1.24 -0.75 4.29 5.32 1v9pA1 GLU 582 HB2 0.02 0.02 -0.02 -0.04 2.09 2.08 1v9pA1 GLU 582 HB3 0.02 0.04 0.20 -0.04 1.99 2.21 1v9pA1 GLU 582 HG2 0.02 0.04 -0.05 -0.04 2.34 2.30 1v9pA1 GLU 582 HG3 0.02 -0.21 -0.15 -0.04 2.34 1.96 1v9pA1 SER 583 H 0.03 0.34 0.29 -0.55 8.46 8.58 1v9pA1 SER 583 HA 0.03 -0.19 0.51 -0.75 4.49 4.08 1v9pA1 SER 583 HB2 0.02 0.04 0.14 -0.04 3.95 4.11 1v9pA1 SER 583 HB3 0.02 0.00 0.02 -0.04 3.93 3.93 1v9pA1 LYS 584 H 0.02 -0.08 0.16 -0.55 8.42 7.97 1v9pA1 LYS 584 HA 0.02 0.23 0.35 -0.75 4.32 4.17 1v9pA1 LYS 584 HB2 0.02 0.04 0.21 -0.04 1.87 2.10 1v9pA1 LYS 584 HB3 0.01 -0.06 0.19 -0.04 1.79 1.89 1v9pA1 LYS 584 HG2 0.01 -0.02 0.09 -0.04 1.46 1.50 1v9pA1 LYS 584 HG3 0.02 0.11 0.09 -0.04 1.46 1.63 1v9pA1 LYS 584 HD2 0.02 0.04 0.13 -0.04 1.69 1.84 1v9pA1 LYS 584 HD3 0.01 -0.05 0.10 -0.04 1.68 1.70 1v9pA1 LYS 584 HE2 0.00 -0.04 0.04 -0.04 2.99 2.96 1v9pA1 LYS 584 HE3 0.01 0.06 0.02 -0.04 2.99 3.04