============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 99 rings ring int. center anis. iso. TYR 5 0.840 5.566 -17.470 2.060 -99.200 -91.000 TRP 12 1.040 0.169 -12.545 13.866 -99.200 -91.000 TRP6 12 1.020 0.221 -13.994 15.721 -99.200 -91.000 TYR 21 0.840 -13.331 -12.056 13.597 -99.200 -91.000 TYR 22 0.840 -15.417 -1.761 16.529 -99.200 -91.000 TYR 55 0.840 13.469 13.814 23.310 -99.200 -91.000 TRP 57 1.040 5.895 8.835 21.561 -99.200 -91.000 TRP6 57 1.020 6.028 7.216 19.854 -99.200 -91.000 PHE 60 1.000 7.487 4.976 27.134 -99.200 -91.000 TYR 63 0.840 20.731 5.054 22.470 -99.200 -91.000 TYR 73 0.840 10.767 -0.679 17.276 -99.200 -91.000 TYR 90 0.840 -6.439 8.317 15.590 -99.200 -91.000 TYR 91 0.840 -10.641 2.231 7.239 -99.200 -91.000 TRP 106 1.040 14.755 9.314 14.155 -99.200 -91.000 TRP6 106 1.020 15.191 8.695 16.395 -99.200 -91.000 HIS 108 0.900 16.881 0.249 9.552 -99.200 -91.000 HIS 110 0.900 19.442 8.842 14.257 -99.200 -91.000 TYR 112 0.840 15.631 -3.917 17.717 -99.200 -91.000 TRP 122 1.040 17.284 -11.975 28.301 -99.200 -91.000 TRP6 122 1.020 15.712 -13.404 27.239 -99.200 -91.000 TYR 125 0.840 18.506 -4.501 22.666 -99.200 -91.000 TYR 143 0.840 -1.920 1.585 4.493 -99.200 -91.000 PHE 144 1.000 5.589 -0.378 6.655 -99.200 -91.000 TYR 152 0.840 11.610 -0.334 8.111 -99.200 -91.000 PHE 159 1.000 20.016 -7.312 18.739 -99.200 -91.000 HIS 165 0.900 20.634 -22.979 21.668 -99.200 -91.000 PHE 166 1.000 14.074 -16.655 23.280 -99.200 -91.000 PHE 212 1.000 2.340 -28.910 21.321 -99.200 -91.000 PHE 221 1.000 2.556 -26.639 31.132 -99.200 -91.000 TYR 222 0.840 8.385 -31.281 36.430 -99.200 -91.000 TYR 227 0.840 5.703 -23.785 33.109 -99.200 -91.000 HIS 230 0.900 12.773 -16.940 34.961 -99.200 -91.000 TYR 235 0.840 7.797 -17.611 37.458 -99.200 -91.000 TYR 239 0.840 8.583 -16.409 32.971 -99.200 -91.000 TYR 270 0.840 -7.099 -30.826 23.952 -99.200 -91.000 HIS 271 0.900 -1.240 -34.017 32.121 -99.200 -91.000 TRP 272 1.040 0.657 -28.568 28.780 -99.200 -91.000 TRP6 272 1.020 0.924 -27.210 26.872 -99.200 -91.000 PHE 277 1.000 -2.063 -23.221 32.396 -99.200 -91.000 HIS 303 0.900 -10.714 -12.297 40.974 -99.200 -91.000 HIS 314 0.900 -14.207 -19.182 24.588 -99.200 -91.000 TYR 341 0.840 -12.248 -7.890 42.659 -99.200 -91.000 TYR 342 0.840 -10.648 -8.450 35.876 -99.200 -91.000 PHE 345 1.000 -17.022 -9.501 27.841 -99.200 -91.000 TYR 351 0.840 -11.953 -4.659 18.159 -99.200 -91.000 TYR 374 0.840 -9.922 -27.803 42.442 -99.200 -91.000 PHE 378 1.000 -0.804 -28.269 41.042 -99.200 -91.000 TYR 387 0.840 -13.942 -24.803 44.886 -99.200 -91.000 PHE 393 1.000 -12.775 -24.410 52.596 -99.200 -91.000 PHE 395 1.000 -4.829 -24.513 52.936 -99.200 -91.000 PHE 400 1.000 12.094 -22.496 50.584 -99.200 -91.000 TYR 407 0.840 12.577 -13.816 47.679 -99.200 -91.000 HIS 409 0.900 14.958 -8.481 43.925 -99.200 -91.000 TRP 418 1.040 12.784 -10.320 51.809 -99.200 -91.000 TRP6 418 1.020 11.754 -8.523 52.947 -99.200 -91.000 TYR 419 0.840 10.665 -13.871 55.889 -99.200 -91.000 PHE 425 1.000 -3.465 -19.395 55.974 -99.200 -91.000 TYR 426 0.840 -1.310 -17.197 48.632 -99.200 -91.000 TYR 428 0.840 -7.080 -18.121 46.696 -99.200 -91.000 HIS 434 0.900 -7.173 -11.637 51.680 -99.200 -91.000 TYR 435 0.840 -5.036 -13.884 49.101 -99.200 -91.000 TYR 439 0.840 -2.279 -9.874 50.382 -99.200 -91.000 TRP 440 1.040 0.371 -9.944 46.197 -99.200 -91.000 TRP6 440 1.020 1.581 -11.324 47.687 -99.200 -91.000 TYR 446 0.840 10.407 -7.353 57.708 -99.200 -91.000 PHE 471 1.000 10.059 -35.754 56.089 -99.200 -91.000 PHE 488 1.000 10.979 -22.111 57.860 -99.200 -91.000 TRP 491 1.040 16.589 -14.901 56.825 -99.200 -91.000 TRP6 491 1.020 18.492 -13.553 56.549 -99.200 -91.000 HIS 498 0.900 10.773 -31.333 62.696 -99.200 -91.000 TRP 501 1.040 0.388 -26.253 56.583 -99.200 -91.000 TRP6 501 1.020 2.686 -26.489 56.091 -99.200 -91.000 PHE 502 1.000 -1.531 -32.865 60.321 -99.200 -91.000 PHE 510 1.000 -2.912 -23.540 58.789 -99.200 -91.000 TYR 538 0.840 -13.937 -10.900 58.750 -99.200 -91.000 TYR 541 0.840 -18.382 -12.991 68.269 -99.200 -91.000 TYR 556 0.840 -7.171 -10.709 72.757 -99.200 -91.000 PHE 563 1.000 -17.053 -17.473 63.725 -99.200 -91.000 TYR 575 0.840 -8.133 -17.701 62.450 -99.200 -91.000 PHE 576 1.000 -10.574 -26.699 68.966 -99.200 -91.000 PHE 577 1.000 -5.467 -20.456 68.503 -99.200 -91.000 PHE 578 1.000 -5.970 -29.005 66.773 -99.200 -91.000 TRP 594 1.040 0.535 -1.579 43.438 -99.200 -91.000 TRP6 594 1.020 0.388 -3.937 43.322 -99.200 -91.000 PHE 610 1.000 -3.294 -6.081 54.853 -99.200 -91.000 HIS 617 0.900 6.107 -20.054 67.902 -99.200 -91.000 TYR 624 0.840 2.494 -23.733 64.095 -99.200 -91.000 TYR 626 0.840 -3.011 -22.173 63.715 -99.200 -91.000 PHE 637 1.000 -14.869 -21.565 65.582 -99.200 -91.000 TYR 659 0.840 -10.166 -40.215 64.444 -99.200 -91.000 TRP 666 1.040 -6.499 -41.625 62.707 -99.200 -91.000 TRP6 666 1.020 -8.088 -43.264 62.068 -99.200 -91.000 TYR 671 0.840 9.557 -33.951 60.391 -99.200 -91.000 PHE 682 1.000 -3.959 -45.960 61.841 -99.200 -91.000 TYR 690 0.840 2.605 -42.925 57.121 -99.200 -91.000 TYR 699 0.840 -7.785 -49.086 59.592 -99.200 -91.000 TYR 703 0.840 5.191 -43.694 53.019 -99.200 -91.000 TYR 704 0.840 5.439 -37.644 47.998 -99.200 -91.000 PHE 718 1.000 -2.730 -49.351 57.984 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1n7pA1 VAL 170 HA 0.01 -0.05 0.16 -0.75 4.13 3.50 1n7pA1 LYS 171 H 0.02 0.17 0.14 -0.55 8.42 8.19 1n7pA1 LYS 171 HA 0.04 0.09 0.19 -0.75 4.32 3.89 1n7pA1 LYS 171 HB2 0.03 0.02 -0.06 -0.04 1.87 1.82 1n7pA1 LYS 171 HB3 0.04 -0.23 0.21 -0.04 1.79 1.77 1n7pA1 LYS 171 HG2 0.04 0.34 0.26 -0.04 1.46 2.05 1n7pA1 LYS 171 HG3 0.05 -0.01 0.07 -0.04 1.46 1.53 1n7pA1 LYS 171 HD2 0.08 -0.11 0.10 -0.04 1.69 1.72 1n7pA1 LYS 171 HD3 0.06 -0.04 0.12 -0.04 1.68 1.79 1n7pA1 LYS 171 HE2 0.05 0.05 0.08 -0.04 2.99 3.13 1n7pA1 LYS 171 HE3 0.06 -0.04 0.06 -0.04 2.99 3.02 1n7pA1 ASP 172 H 0.05 0.10 0.20 -0.55 8.40 8.20 1n7pA1 ASP 172 HA -0.01 0.29 0.84 -0.75 4.63 4.99 1n7pA1 ASP 172 HB2 -0.06 -0.11 0.18 -0.04 2.71 2.68 1n7pA1 ASP 172 HB3 0.03 0.16 -0.22 -0.04 2.70 2.64 1n7pA1 THR 173 H -0.16 0.23 0.18 -0.55 8.28 7.98 1n7pA1 THR 173 HA -0.06 0.13 0.58 -0.75 4.39 4.28 1n7pA1 THR 173 HB -0.13 0.10 0.11 -0.04 4.32 4.36 1n7pA1 THR 173 HG23 -0.10 0.02 0.08 -0.04 1.22 1.18 1n7pA1 TYR 174 H -0.23 0.07 -0.13 -0.55 8.29 7.45 1n7pA1 TYR 174 HA 0.01 0.13 0.61 -0.75 4.56 4.55 1n7pA1 TYR 174 HB2 0.01 -0.04 0.10 -0.04 3.06 3.09 1n7pA1 TYR 174 HB3 0.00 0.31 0.13 -0.04 2.98 3.38 1n7pA1 TYR 174 HD2 0.00 0.01 0.04 -0.04 7.15 7.16 1n7pA1 TYR 174 HE2 -0.00 0.01 -0.04 -0.04 6.85 6.78 1n7pA1 THR 175 H 0.11 0.04 -0.15 -0.55 8.28 7.73 1n7pA1 THR 175 HA 0.10 0.15 0.51 -0.75 4.39 4.39 1n7pA1 THR 175 HB 0.07 0.07 0.07 -0.04 4.32 4.48 1n7pA1 THR 175 HG23 0.09 0.02 0.05 -0.04 1.22 1.34 1n7pA1 ASP 176 H 0.03 0.28 -0.18 -0.55 8.40 7.99 1n7pA1 ASP 176 HA 0.04 0.06 0.49 -0.75 4.63 4.47 1n7pA1 ASP 176 HB2 0.00 0.11 0.16 -0.04 2.71 2.94 1n7pA1 ASP 176 HB3 0.02 0.02 -0.01 -0.04 2.70 2.69 1n7pA1 ARG 177 H 0.06 0.36 -0.31 -0.55 8.46 8.01 1n7pA1 ARG 177 HA 0.08 0.09 0.52 -0.75 4.34 4.27 1n7pA1 ARG 177 HB2 0.08 0.15 0.15 -0.04 1.90 2.24 1n7pA1 ARG 177 HB3 0.06 -0.04 0.00 -0.04 1.80 1.78 1n7pA1 ARG 177 HG2 0.02 0.20 0.13 -0.04 1.67 1.97 1n7pA1 ARG 177 HG3 0.04 -0.08 0.02 -0.04 1.67 1.61 1n7pA1 ARG 177 HD2 0.02 0.08 -0.27 -0.04 3.22 3.01 1n7pA1 ARG 177 HD3 0.04 0.08 -0.03 -0.04 3.22 3.28 1n7pA1 LEU 178 H 0.10 0.35 -0.19 -0.55 8.37 8.08 1n7pA1 LEU 178 HA 0.22 0.00 0.43 -0.75 4.35 4.25 1n7pA1 LEU 178 HB2 0.11 0.05 0.15 -0.04 1.64 1.91 1n7pA1 LEU 178 HB3 0.15 0.02 0.04 -0.04 1.64 1.81 1n7pA1 LEU 178 HG 0.08 0.09 0.01 -0.04 1.64 1.78 1n7pA1 LEU 178 HD13 0.07 -0.02 -0.24 -0.04 0.93 0.70 1n7pA1 LEU 178 HD23 0.03 -0.01 -0.04 -0.04 0.89 0.82 1n7pA1 ASP 179 H 0.10 0.52 -0.21 -0.55 8.40 8.26 1n7pA1 ASP 179 HA 0.09 0.05 0.58 -0.75 4.63 4.60 1n7pA1 ASP 179 HB2 0.07 0.17 0.16 -0.04 2.71 3.06 1n7pA1 ASP 179 HB3 0.05 -0.06 -0.02 -0.04 2.70 2.63 1n7pA1 ASP 180 H 0.12 0.42 -0.25 -0.55 8.40 8.14 1n7pA1 ASP 180 HA 0.11 -0.00 0.40 -0.75 4.63 4.38 1n7pA1 ASP 180 HB2 0.14 0.19 0.20 -0.04 2.71 3.19 1n7pA1 ASP 180 HB3 0.14 -0.03 -0.03 -0.04 2.70 2.74 1n7pA1 TRP 181 H 0.32 0.54 -0.11 -0.55 7.97 8.17 1n7pA1 TRP 181 HA 0.04 0.05 0.37 -0.75 4.62 4.32 1n7pA1 TRP 181 HB2 0.04 0.04 0.06 -0.04 3.23 3.33 1n7pA1 TRP 181 HB3 0.04 0.10 0.14 -0.04 3.23 3.47 1n7pA1 TRP 181 HD1 0.03 0.04 -0.09 -0.04 7.22 7.15 1n7pA1 TRP 181 HE1 0.01 0.01 -0.08 -0.04 10.20 10.10 1n7pA1 TRP 181 HE3 0.03 0.05 -0.03 -0.04 7.59 7.60 1n7pA1 TRP 181 HZ2 0.01 0.02 -0.02 -0.04 7.44 7.41 1n7pA1 TRP 181 HZ3 0.03 0.04 -0.47 -0.04 7.13 6.68 1n7pA1 TRP 181 HH2 0.02 -0.02 -0.08 -0.04 7.19 7.07 1n7pA1 ASN 182 H 0.18 0.58 -0.29 -0.55 8.53 8.44 1n7pA1 ASN 182 HA -0.08 0.00 0.38 -0.75 4.76 4.31 1n7pA1 ASN 182 HB2 0.07 0.15 0.20 -0.04 2.88 3.27 1n7pA1 ASN 182 HB3 0.05 -0.12 0.05 -0.04 2.79 2.72 1n7pA1 ASN 182 HD21 0.12 0.36 -0.14 -0.04 7.03 7.33 1n7pA1 ASN 182 HD22 0.09 -0.10 0.02 -0.04 7.74 7.72 1n7pA1 GLY 183 H 0.06 0.59 -0.21 -0.55 8.43 8.32 1n7pA1 GLY 183 HA2 0.10 -0.21 0.54 -0.51 4.01 3.93 1n7pA1 GLY 183 HA3 0.13 0.13 0.32 -0.51 4.01 4.08 1n7pA1 ILE 184 H -0.07 0.39 -0.36 -0.55 8.25 7.67 1n7pA1 ILE 184 HA -0.07 0.03 0.66 -0.75 4.18 4.05 1n7pA1 ILE 184 HB -0.21 0.11 0.18 -0.04 1.89 1.92 1n7pA1 ILE 184 HG12 0.00 -0.04 -0.01 -0.04 1.49 1.41 1n7pA1 ILE 184 HG13 0.04 -0.05 -0.10 -0.04 1.21 1.07 1n7pA1 ILE 184 HG23 -0.20 0.02 -0.09 -0.04 0.93 0.61 1n7pA1 ILE 184 HD13 0.16 0.06 -0.10 -0.04 0.88 0.96 1n7pA1 ILE 185 H -0.47 0.59 0.10 -0.55 8.25 7.92 1n7pA1 ILE 185 HA -0.36 0.11 0.53 -0.75 4.18 3.71 1n7pA1 ILE 185 HB -0.39 -0.03 0.08 -0.04 1.89 1.51 1n7pA1 ILE 185 HG12 -0.65 0.21 -0.02 -0.04 1.49 0.99 1n7pA1 ILE 185 HG13 -0.27 0.00 -0.16 -0.04 1.21 0.75 1n7pA1 ILE 185 HG23 -1.49 0.02 -0.01 -0.04 0.93 -0.60 1n7pA1 ILE 185 HD13 -0.17 -0.01 -0.06 -0.04 0.88 0.61 1n7pA1 ALA 186 H -0.13 0.19 -0.26 -0.55 8.40 7.65 1n7pA1 ALA 186 HA -0.17 0.18 0.79 -0.75 4.34 4.39 1n7pA1 ALA 186 HB3 -0.04 0.03 0.04 -0.04 1.41 1.39 1n7pA1 GLY 187 H 0.03 0.58 0.28 -0.55 8.43 8.78 1n7pA1 GLY 187 HA2 0.25 0.12 0.46 -0.51 4.01 4.34 1n7pA1 GLY 187 HA3 0.30 -0.08 0.49 -0.51 4.01 4.21 1n7pA1 ASN 188 H 0.13 0.20 -0.02 -0.55 8.53 8.28 1n7pA1 ASN 188 HA 0.27 0.03 0.34 -0.75 4.76 4.65 1n7pA1 ASN 188 HB2 0.07 0.03 0.09 -0.04 2.88 3.04 1n7pA1 ASN 188 HB3 0.05 0.05 0.11 -0.04 2.79 2.96 1n7pA1 ASN 188 HD21 0.08 0.31 0.01 -0.04 7.03 7.39 1n7pA1 ASN 188 HD22 0.09 0.05 -0.12 -0.04 7.74 7.72 1n7pA1 GLN 189 H -0.05 0.05 -0.25 -0.55 8.47 7.68 1n7pA1 GLN 189 HA -0.09 0.11 0.48 -0.75 4.36 4.10 1n7pA1 GLN 189 HB2 -0.23 0.04 0.09 -0.04 2.15 2.01 1n7pA1 GLN 189 HB3 -0.16 -0.01 0.08 -0.04 2.02 1.89 1n7pA1 GLN 189 HG2 -0.77 -0.11 -0.05 -0.04 2.40 1.43 1n7pA1 GLN 189 HG3 -1.30 0.05 -0.28 -0.04 2.39 0.82 1n7pA1 GLN 189 HE21 -0.11 0.01 -0.03 -0.04 6.97 6.79 1n7pA1 GLN 189 HE22 -0.33 0.01 -0.06 -0.04 7.69 7.27 1n7pA1 TYR 190 H 0.06 0.46 -0.36 -0.55 8.29 7.90 1n7pA1 TYR 190 HA 0.01 0.17 0.71 -0.75 4.56 4.70 1n7pA1 TYR 190 HB2 0.11 0.01 -0.06 -0.04 3.06 3.08 1n7pA1 TYR 190 HB3 0.03 -0.04 0.04 -0.04 2.98 2.98 1n7pA1 TYR 190 HD2 0.05 0.01 0.03 -0.04 7.15 7.19 1n7pA1 TYR 190 HE2 0.02 0.07 0.01 -0.04 6.85 6.91 1n7pA1 TYR 191 H 0.10 0.40 -0.20 -0.55 8.29 8.03 1n7pA1 TYR 191 HA -0.37 -0.06 0.27 -0.75 4.56 3.65 1n7pA1 TYR 191 HB2 -0.48 -0.00 0.12 -0.04 3.06 2.65 1n7pA1 TYR 191 HB3 -0.22 0.07 0.08 -0.04 2.98 2.87 1n7pA1 TYR 191 HD2 -1.02 0.01 -0.15 -0.04 7.15 5.95 1n7pA1 TYR 191 HE2 -0.18 0.07 -0.25 -0.04 6.85 6.44 1n7pA1 ASP 192 H -1.07 0.17 0.10 -0.55 8.40 7.06 1n7pA1 ASP 192 HA -0.28 0.14 0.67 -0.75 4.63 4.41 1n7pA1 ASP 192 HB2 -0.17 0.23 -0.07 -0.04 2.71 2.67 1n7pA1 ASP 192 HB3 -0.26 -0.05 0.14 -0.04 2.70 2.49 1n7pA1 SER 193 H -0.22 0.25 0.07 -0.55 8.46 8.01 1n7pA1 SER 193 HA -0.27 0.09 0.38 -0.75 4.49 3.93 1n7pA1 SER 193 HB2 0.02 0.05 0.08 -0.04 3.95 4.05 1n7pA1 SER 193 HB3 0.08 0.03 0.08 -0.04 3.93 4.08 1n7pA1 LYS 194 H -0.16 0.04 -0.31 -0.55 8.42 7.44 1n7pA1 LYS 194 HA -0.08 0.16 0.54 -0.75 4.32 4.19 1n7pA1 LYS 194 HB2 -0.09 -0.01 -0.00 -0.04 1.87 1.72 1n7pA1 LYS 194 HB3 -0.07 0.03 0.09 -0.04 1.79 1.79 1n7pA1 LYS 194 HG2 -0.06 -0.06 -0.04 -0.04 1.46 1.25 1n7pA1 LYS 194 HG3 -0.05 0.03 -0.00 -0.04 1.46 1.40 1n7pA1 LYS 194 HD2 -0.05 0.01 0.03 -0.04 1.69 1.64 1n7pA1 LYS 194 HD3 -0.05 0.03 -0.09 -0.04 1.68 1.53 1n7pA1 LYS 194 HE2 -0.03 0.00 -0.03 -0.04 2.99 2.89 1n7pA1 LYS 194 HE3 -0.03 0.00 -0.01 -0.04 2.99 2.91 1n7pA1 ASN 195 H -0.23 0.40 -0.46 -0.55 8.53 7.69 1n7pA1 ASN 195 HA -0.12 0.10 0.74 -0.75 4.76 4.72 1n7pA1 ASN 195 HB2 -0.17 0.04 0.07 -0.04 2.88 2.78 1n7pA1 ASN 195 HB3 -0.27 0.12 0.24 -0.04 2.79 2.85 1n7pA1 ASN 195 HD21 -0.07 0.03 -0.03 -0.04 7.03 6.92 1n7pA1 ASN 195 HD22 -0.10 0.09 0.01 -0.04 7.74 7.70 1n7pA1 ASP 196 H -0.11 0.25 0.12 -0.55 8.40 8.12 1n7pA1 ASP 196 HA -0.08 0.12 0.25 -0.75 4.63 4.17 1n7pA1 ASP 196 HB2 -0.10 0.04 0.17 -0.04 2.71 2.77 1n7pA1 ASP 196 HB3 -0.13 0.01 0.00 -0.04 2.70 2.54 1n7pA1 GLN 197 H -0.19 0.10 -0.11 -0.55 8.47 7.72 1n7pA1 GLN 197 HA -0.15 0.11 0.35 -0.75 4.36 3.92 1n7pA1 GLN 197 HB2 -0.35 -0.02 0.04 -0.04 2.15 1.79 1n7pA1 GLN 197 HB3 -0.34 0.07 -0.01 -0.04 2.02 1.69 1n7pA1 GLN 197 HG2 -0.50 -0.03 0.02 -0.04 2.40 1.84 1n7pA1 GLN 197 HG3 -1.70 0.05 -0.00 -0.04 2.39 0.70 1n7pA1 GLN 197 HE21 -0.16 0.02 -0.04 -0.04 6.97 6.75 1n7pA1 GLN 197 HE22 -0.33 0.03 -0.03 -0.04 7.69 7.32 1n7pA1 MET 198 H -0.09 0.08 -0.23 -0.55 8.47 7.67 1n7pA1 MET 198 HA 0.23 0.07 0.44 -0.75 4.52 4.51 1n7pA1 MET 198 HB2 -0.26 0.18 0.14 -0.04 2.15 2.18 1n7pA1 MET 198 HB3 -0.23 -0.04 -0.00 -0.04 2.03 1.72 1n7pA1 MET 198 HG2 0.18 0.00 0.02 -0.04 2.63 2.80 1n7pA1 MET 198 HG3 -0.04 -0.06 0.02 -0.04 2.56 2.43 1n7pA1 MET 198 HE3 0.04 0.06 0.01 -0.04 2.10 2.17 1n7pA1 ALA 199 H -0.05 0.65 -0.11 -0.55 8.40 8.34 1n7pA1 ALA 199 HA 0.23 -0.03 0.44 -0.75 4.34 4.24 1n7pA1 ALA 199 HB3 0.00 0.05 0.07 -0.04 1.41 1.50 1n7pA1 LYS 200 H 0.02 0.39 -0.33 -0.55 8.42 7.95 1n7pA1 LYS 200 HA 0.03 0.01 0.46 -0.75 4.32 4.06 1n7pA1 LYS 200 HB2 -0.01 0.11 0.18 -0.04 1.87 2.11 1n7pA1 LYS 200 HB3 0.02 0.06 -0.00 -0.04 1.79 1.82 1n7pA1 LYS 200 HG2 0.00 -0.03 0.01 -0.04 1.46 1.40 1n7pA1 LYS 200 HG3 -0.01 -0.02 0.03 -0.04 1.46 1.42 1n7pA1 LYS 200 HD2 -0.04 -0.01 -0.03 -0.04 1.69 1.56 1n7pA1 LYS 200 HD3 -0.03 0.01 -0.03 -0.04 1.68 1.59 1n7pA1 LYS 200 HE2 -0.02 -0.01 -0.04 -0.04 2.99 2.87 1n7pA1 LYS 200 HE3 -0.02 -0.00 -0.02 -0.04 2.99 2.91 1n7pA1 LEU 201 H 0.13 0.39 -0.14 -0.55 8.37 8.20 1n7pA1 LEU 201 HA 0.05 0.06 0.45 -0.75 4.35 4.16 1n7pA1 LEU 201 HB2 0.09 0.10 0.08 -0.04 1.64 1.86 1n7pA1 LEU 201 HB3 0.30 0.06 0.11 -0.04 1.64 2.07 1n7pA1 LEU 201 HG -0.04 -0.04 -0.30 -0.04 1.64 1.21 1n7pA1 LEU 201 HD13 -0.04 0.02 0.01 -0.04 0.93 0.88 1n7pA1 LEU 201 HD23 -0.28 0.06 -0.32 -0.04 0.89 0.30 1n7pA1 ASN 202 H 0.28 0.59 -0.07 -0.55 8.53 8.79 1n7pA1 ASN 202 HA 0.12 0.01 0.47 -0.75 4.76 4.61 1n7pA1 ASN 202 HB2 -0.05 -0.00 0.05 -0.04 2.88 2.83 1n7pA1 ASN 202 HB3 0.13 0.11 0.13 -0.04 2.79 3.12 1n7pA1 ASN 202 HD21 -0.09 0.01 -0.13 -0.04 7.03 6.78 1n7pA1 ASN 202 HD22 0.01 0.06 -0.09 -0.04 7.74 7.69 1n7pA1 GLN 203 H 0.07 0.58 -0.23 -0.55 8.47 8.34 1n7pA1 GLN 203 HA 0.03 -0.04 0.35 -0.75 4.36 3.95 1n7pA1 GLN 203 HB2 0.03 0.21 0.16 -0.04 2.15 2.51 1n7pA1 GLN 203 HB3 0.02 0.05 0.07 -0.04 2.02 2.13 1n7pA1 GLN 203 HG2 0.01 0.01 0.01 -0.04 2.40 2.39 1n7pA1 GLN 203 HG3 0.01 -0.04 0.02 -0.04 2.39 2.34 1n7pA1 GLN 203 HE21 -0.00 -0.01 0.01 -0.04 6.97 6.92 1n7pA1 GLN 203 HE22 0.01 -0.01 0.01 -0.04 7.69 7.66 1n7pA1 GLU 204 H 0.03 0.51 -0.18 -0.55 8.60 8.42 1n7pA1 GLU 204 HA 0.01 -0.02 0.51 -0.75 4.29 4.04 1n7pA1 GLU 204 HB2 0.01 0.03 0.14 -0.04 2.09 2.23 1n7pA1 GLU 204 HB3 0.01 0.18 0.20 -0.04 1.99 2.34 1n7pA1 GLU 204 HG2 -0.02 -0.01 -0.19 -0.04 2.34 2.07 1n7pA1 GLU 204 HG3 -0.01 -0.07 0.04 -0.04 2.34 2.25 1n7pA1 LEU 205 H 0.02 0.55 -0.14 -0.55 8.37 8.26 1n7pA1 LEU 205 HA -0.01 0.00 0.49 -0.75 4.35 4.07 1n7pA1 LEU 205 HB2 0.03 0.10 0.18 -0.04 1.64 1.90 1n7pA1 LEU 205 HB3 0.01 -0.05 0.02 -0.04 1.64 1.58 1n7pA1 LEU 205 HG -0.03 0.04 0.03 -0.04 1.64 1.64 1n7pA1 LEU 205 HD13 -0.05 0.00 -0.06 -0.04 0.93 0.78 1n7pA1 LEU 205 HD23 -0.05 -0.01 0.04 -0.04 0.89 0.83 1n7pA1 GLU 206 H 0.05 0.72 -0.00 -0.55 8.60 8.82 1n7pA1 GLU 206 HA 0.22 -0.05 0.46 -0.75 4.29 4.16 1n7pA1 GLU 206 HB2 0.04 0.17 0.18 -0.04 2.09 2.45 1n7pA1 GLU 206 HB3 0.07 -0.06 0.02 -0.04 1.99 1.99 1n7pA1 GLU 206 HG2 0.03 0.27 0.03 -0.04 2.34 2.63 1n7pA1 GLU 206 HG3 0.00 -0.01 -0.02 -0.04 2.34 2.28 1n7pA1 GLY 207 H 0.04 0.58 -0.19 -0.55 8.43 8.31 1n7pA1 GLY 207 HA2 0.04 -0.01 0.42 -0.51 4.01 3.95 1n7pA1 GLY 207 HA3 0.02 0.09 0.32 -0.51 4.01 3.93 1n7pA1 LYS 208 H -0.01 0.54 -0.05 -0.55 8.42 8.35 1n7pA1 LYS 208 HA -0.05 0.01 0.50 -0.75 4.32 4.02 1n7pA1 LYS 208 HB2 -0.05 0.10 0.16 -0.04 1.87 2.03 1n7pA1 LYS 208 HB3 -0.09 -0.05 0.01 -0.04 1.79 1.61 1n7pA1 LYS 208 HG2 -0.06 -0.07 0.04 -0.04 1.46 1.33 1n7pA1 LYS 208 HG3 -0.04 0.17 0.10 -0.04 1.46 1.66 1n7pA1 LYS 208 HD2 -0.05 0.03 -0.10 -0.04 1.69 1.53 1n7pA1 LYS 208 HD3 -0.08 -0.03 -0.01 -0.04 1.68 1.53 1n7pA1 LYS 208 HE2 -0.06 0.01 -0.04 -0.04 2.99 2.86 1n7pA1 LYS 208 HE3 -0.08 -0.04 -0.02 -0.04 2.99 2.81 1n7pA1 VAL 209 H -0.03 0.63 -0.12 -0.55 8.24 8.17 1n7pA1 VAL 209 HA -0.13 0.03 0.46 -0.75 4.13 3.74 1n7pA1 VAL 209 HB -0.13 0.09 0.13 -0.04 2.12 2.17 1n7pA1 VAL 209 HG13 -0.72 -0.02 -0.12 -0.04 0.97 0.07 1n7pA1 VAL 209 HG23 -0.10 0.01 -0.13 -0.04 0.95 0.70 1n7pA1 ALA 210 H 0.04 0.63 -0.08 -0.55 8.40 8.44 1n7pA1 ALA 210 HA 0.06 -0.02 0.41 -0.75 4.34 4.04 1n7pA1 ALA 210 HB3 0.11 0.03 0.11 -0.04 1.41 1.62 1n7pA1 ASP 211 H -0.00 0.56 -0.18 -0.55 8.40 8.23 1n7pA1 ASP 211 HA 0.02 0.01 0.35 -0.75 4.63 4.26 1n7pA1 ASP 211 HB2 -0.04 0.12 0.18 -0.04 2.71 2.93 1n7pA1 ASP 211 HB3 -0.02 -0.07 -0.02 -0.04 2.70 2.55 1n7pA1 SER 212 H -0.04 0.52 -0.16 -0.55 8.46 8.24 1n7pA1 SER 212 HA 0.09 -0.02 0.33 -0.75 4.49 4.13 1n7pA1 SER 212 HB2 -0.02 0.10 0.15 -0.04 3.95 4.14 1n7pA1 SER 212 HB3 0.09 -0.07 0.00 -0.04 3.93 3.91 1n7pA1 LEU 213 H 0.03 0.62 -0.17 -0.55 8.37 8.31 1n7pA1 LEU 213 HA 0.07 0.00 0.40 -0.75 4.35 4.07 1n7pA1 LEU 213 HB2 -0.02 0.14 0.15 -0.04 1.64 1.86 1n7pA1 LEU 213 HB3 -0.00 -0.06 0.00 -0.04 1.64 1.53 1n7pA1 LEU 213 HG -0.13 0.11 0.03 -0.04 1.64 1.61 1n7pA1 LEU 213 HD13 -0.26 -0.04 -0.09 -0.04 0.93 0.51 1n7pA1 LEU 213 HD23 -0.04 -0.02 -0.04 -0.04 0.89 0.75 1n7pA1 SER 214 H 0.07 0.41 -0.33 -0.55 8.46 8.05 1n7pA1 SER 214 HA 0.02 0.07 0.45 -0.75 4.49 4.28 1n7pA1 SER 214 HB2 0.02 -0.08 0.14 -0.04 3.95 3.99 1n7pA1 SER 214 HB3 0.03 0.06 0.09 -0.04 3.93 4.08 1n7pA1 SER 215 H 0.15 0.17 -0.52 -0.55 8.46 7.70 1n7pA1 SER 215 HA 0.01 0.11 0.75 -0.75 4.49 4.61 1n7pA1 SER 215 HB2 0.17 -0.19 0.12 -0.04 3.95 4.01 1n7pA1 SER 215 HB3 0.09 0.01 -0.08 -0.04 3.93 3.91 1n7pA1 ILE 216 H 0.03 0.22 0.07 -0.55 8.25 8.02 1n7pA1 ILE 216 HA -1.35 0.12 0.60 -0.75 4.18 2.79 1n7pA1 ILE 216 HB -0.35 0.06 0.13 -0.04 1.89 1.69 1n7pA1 ILE 216 HG12 -0.69 0.11 0.06 -0.04 1.49 0.92 1n7pA1 ILE 216 HG13 -1.75 -0.06 0.07 -0.04 1.21 -0.57 1n7pA1 ILE 216 HG23 -0.20 0.03 -0.07 -0.04 0.93 0.65 1n7pA1 ILE 216 HD13 -0.47 -0.03 -0.01 -0.04 0.88 0.32 1n7pA1 SER 217 H -0.62 0.27 0.35 -0.55 8.46 7.91 1n7pA1 SER 217 HA -0.21 0.08 0.51 -0.75 4.49 4.11 1n7pA1 SER 217 HB2 -0.33 0.10 0.26 -0.04 3.95 3.94 1n7pA1 SER 217 HB3 -0.15 -0.01 0.07 -0.04 3.93 3.81 1n7pA1 SER 218 H -0.13 0.16 0.21 -0.55 8.46 8.16 1n7pA1 SER 218 HA -0.15 0.12 0.77 -0.75 4.49 4.48 1n7pA1 SER 218 HB2 -0.07 -0.01 -0.01 -0.04 3.95 3.81 1n7pA1 SER 218 HB3 -0.09 -0.06 0.08 -0.04 3.93 3.83 1n7pA1 GLN 219 H -0.07 0.06 0.07 -0.55 8.47 7.99 1n7pA1 GLN 219 HA -0.04 -0.07 0.38 -0.75 4.36 3.88 1n7pA1 GLN 219 HB2 -0.03 0.16 -0.05 -0.04 2.15 2.18 1n7pA1 GLN 219 HB3 -0.02 -0.00 0.04 -0.04 2.02 1.99 1n7pA1 GLN 219 HG2 -0.04 -0.06 -0.07 -0.04 2.40 2.19 1n7pA1 GLN 219 HG3 -0.03 0.04 -0.07 -0.04 2.39 2.30 1n7pA1 GLN 219 HE21 -0.01 -0.00 0.01 -0.04 6.97 6.93 1n7pA1 GLN 219 HE22 -0.01 0.02 -0.00 -0.04 7.69 7.66 1n7pA1 ALA 220 H -0.02 0.06 0.09 -0.55 8.40 7.99 1n7pA1 ALA 220 HA 0.01 -0.01 0.34 -0.75 4.34 3.93 1n7pA1 ALA 220 HB3 -0.00 0.05 -0.07 -0.04 1.41 1.34 1n7pA1 ASP 221 H 0.01 -0.00 -0.05 -0.55 8.40 7.82 1n7pA1 ASP 221 HA -0.00 -0.01 0.20 -0.75 4.63 4.07 1n7pA1 ASP 221 HB2 0.10 -0.09 0.01 -0.04 2.71 2.69 1n7pA1 ASP 221 HB3 0.21 0.10 0.15 -0.04 2.70 3.12 1n7pA1 ARG 222 H -0.12 0.06 -0.25 -0.55 8.46 7.60 1n7pA1 ARG 222 HA -0.04 0.11 0.31 -0.75 4.34 3.96 1n7pA1 ARG 222 HB2 -0.10 -0.27 0.09 -0.04 1.90 1.58 1n7pA1 ARG 222 HB3 -0.06 0.06 0.14 -0.04 1.80 1.90 1n7pA1 ARG 222 HG2 -0.22 0.04 -0.05 -0.04 1.67 1.41 1n7pA1 ARG 222 HG3 -0.20 0.13 -0.20 -0.04 1.67 1.36 1n7pA1 ARG 222 HD2 -0.60 -0.17 -0.26 -0.04 3.22 2.14 1n7pA1 ARG 222 HD3 -0.91 -0.08 -0.38 -0.04 3.22 1.81 1n7pA1 ILE 223 H -0.26 0.10 0.14 -0.55 8.25 7.69 1n7pA1 ILE 223 HA 0.19 0.24 0.81 -0.75 4.18 4.66 1n7pA1 ILE 223 HB -0.00 0.01 0.17 -0.04 1.89 2.03 1n7pA1 ILE 223 HG12 -0.85 -0.02 0.01 -0.04 1.49 0.60 1n7pA1 ILE 223 HG13 -0.82 0.04 -0.32 -0.04 1.21 0.07 1n7pA1 ILE 223 HG23 -0.10 0.00 0.02 -0.04 0.93 0.82 1n7pA1 ILE 223 HD13 -0.13 -0.01 -0.01 -0.04 0.88 0.69 1n7pA1 TYR 224 H -0.07 0.14 -0.28 -0.55 8.29 7.53 1n7pA1 TYR 224 HA 0.04 0.11 0.57 -0.75 4.56 4.52 1n7pA1 TYR 224 HB2 0.03 0.10 -0.27 -0.04 3.06 2.87 1n7pA1 TYR 224 HB3 0.10 0.18 -0.14 -0.04 2.98 3.09 1n7pA1 TYR 224 HD2 -0.06 0.03 -0.01 -0.04 7.15 7.07 1n7pA1 TYR 224 HE2 -0.03 0.03 -0.01 -0.04 6.85 6.79 1n7pA1 LEU 225 H -0.13 0.18 0.05 -0.55 8.37 7.93 1n7pA1 LEU 225 HA -0.71 0.09 0.58 -0.75 4.35 3.56 1n7pA1 LEU 225 HB2 -0.09 -0.01 0.16 -0.04 1.64 1.65 1n7pA1 LEU 225 HB3 -0.90 0.02 0.01 -0.04 1.64 0.73 1n7pA1 LEU 225 HG -0.33 0.00 -0.00 -0.04 1.64 1.27 1n7pA1 LEU 225 HD13 -0.11 0.02 0.03 -0.04 0.93 0.83 1n7pA1 LEU 225 HD23 -0.74 0.01 0.01 -0.04 0.89 0.12 1n7pA1 TRP 226 H 0.17 0.17 -0.02 -0.55 7.97 7.74 1n7pA1 TRP 226 HA -0.16 0.36 0.82 -0.75 4.62 4.89 1n7pA1 TRP 226 HB2 0.12 0.00 0.02 -0.04 3.23 3.33 1n7pA1 TRP 226 HB3 0.08 -0.11 -0.08 -0.04 3.23 3.08 1n7pA1 TRP 226 HD1 -0.05 -0.01 -0.16 -0.04 7.22 6.96 1n7pA1 TRP 226 HE1 -0.06 0.36 0.08 -0.04 10.20 10.54 1n7pA1 TRP 226 HE3 -0.06 -0.06 -0.03 -0.04 7.59 7.39 1n7pA1 TRP 226 HZ2 -0.09 0.03 -0.11 -0.04 7.44 7.23 1n7pA1 TRP 226 HZ3 -0.14 0.03 -0.03 -0.04 7.13 6.95 1n7pA1 TRP 226 HH2 -0.10 -0.01 -0.11 -0.04 7.19 6.93 1n7pA1 GLU 227 H -0.18 0.33 0.06 -0.55 8.60 8.26 1n7pA1 GLU 227 HA -0.72 0.09 0.34 -0.75 4.29 3.24 1n7pA1 GLU 227 HB2 -0.46 0.11 0.10 -0.04 2.09 1.80 1n7pA1 GLU 227 HB3 -0.19 -0.01 0.06 -0.04 1.99 1.80 1n7pA1 GLU 227 HG2 -0.37 -0.01 0.03 -0.04 2.34 1.95 1n7pA1 GLU 227 HG3 -0.18 0.04 -0.00 -0.04 2.34 2.16 1n7pA1 LYS 228 H -0.09 0.12 -0.13 -0.55 8.42 7.77 1n7pA1 LYS 228 HA -0.23 0.11 0.48 -0.75 4.32 3.93 1n7pA1 LYS 228 HB2 -0.32 -0.00 0.02 -0.04 1.87 1.52 1n7pA1 LYS 228 HB3 -0.92 0.02 -0.03 -0.04 1.79 0.82 1n7pA1 LYS 228 HG2 -0.25 0.01 0.04 -0.04 1.46 1.22 1n7pA1 LYS 228 HG3 -0.16 -0.01 -0.01 -0.04 1.46 1.24 1n7pA1 LYS 228 HD2 -0.11 0.02 -0.01 -0.04 1.69 1.55 1n7pA1 LYS 228 HD3 -0.12 0.02 -0.02 -0.04 1.68 1.52 1n7pA1 LYS 228 HE2 -0.34 -0.01 -0.02 -0.04 2.99 2.57 1n7pA1 LYS 228 HE3 -0.12 -0.00 -0.01 -0.04 2.99 2.81 1n7pA1 PHE 229 H 0.10 0.25 -0.68 -0.55 8.34 7.46 1n7pA1 PHE 229 HA 0.05 0.12 0.72 -0.75 4.62 4.76 1n7pA1 PHE 229 HB2 0.11 -0.01 0.07 -0.04 3.15 3.28 1n7pA1 PHE 229 HB3 0.05 0.04 0.19 -0.04 3.06 3.29 1n7pA1 PHE 229 HD2 -0.05 -0.04 -0.11 -0.04 7.28 7.04 1n7pA1 PHE 229 HE2 -0.15 0.01 -0.10 -0.04 7.38 7.10 1n7pA1 PHE 229 HZ -0.12 0.01 -0.08 -0.04 7.32 7.09 1n7pA1 SER 230 H 0.11 0.15 -0.18 -0.55 8.46 7.99 1n7pA1 SER 230 HA 0.30 0.13 0.48 -0.75 4.49 4.64 1n7pA1 SER 230 HB2 0.49 -0.01 -0.04 -0.04 3.95 4.35 1n7pA1 SER 230 HB3 0.24 0.03 0.02 -0.04 3.93 4.18 1n7pA1 ASN 231 H 0.14 0.04 0.01 -0.55 8.53 8.17 1n7pA1 ASN 231 HA 0.10 0.12 0.68 -0.75 4.76 4.91 1n7pA1 ASN 231 HB2 0.06 0.07 0.14 -0.04 2.88 3.11 1n7pA1 ASN 231 HB3 0.07 -0.02 0.20 -0.04 2.79 3.00 1n7pA1 ASN 231 HD21 0.01 0.03 -0.03 -0.04 7.03 7.00 1n7pA1 ASN 231 HD22 0.03 0.04 0.03 -0.04 7.74 7.80 1n7pA1 TYR 232 H 0.20 0.33 0.20 -0.55 8.29 8.47 1n7pA1 TYR 232 HA 0.13 0.12 0.35 -0.75 4.56 4.41 1n7pA1 TYR 232 HB2 0.15 -0.00 0.11 -0.04 3.06 3.28 1n7pA1 TYR 232 HB3 0.18 0.10 0.08 -0.04 2.98 3.30 1n7pA1 TYR 232 HD2 0.15 0.05 0.03 -0.04 7.15 7.33 1n7pA1 TYR 232 HE2 0.09 -0.00 0.02 -0.04 6.85 6.92 1n7pA1 LYS 233 H -0.20 0.00 -0.30 -0.55 8.42 7.37 1n7pA1 LYS 233 HA -0.00 0.20 0.70 -0.75 4.32 4.47 1n7pA1 LYS 233 HB2 -0.10 -0.04 0.01 -0.04 1.87 1.69 1n7pA1 LYS 233 HB3 -0.04 -0.03 -0.02 -0.04 1.79 1.67 1n7pA1 LYS 233 HG2 -0.09 0.03 0.04 -0.04 1.46 1.39 1n7pA1 LYS 233 HG3 -0.42 0.02 -0.03 -0.04 1.46 0.99 1n7pA1 LYS 233 HD2 -0.13 -0.02 0.00 -0.04 1.69 1.50 1n7pA1 LYS 233 HD3 -0.06 -0.01 0.00 -0.04 1.68 1.56 1n7pA1 LYS 233 HE2 -0.09 0.03 0.00 -0.04 2.99 2.90 1n7pA1 LYS 233 HE3 -0.18 0.02 0.00 -0.04 2.99 2.79 1n7pA1 THR 234 H 0.05 0.29 -0.21 -0.55 8.28 7.86 1n7pA1 THR 234 HA 0.06 0.05 0.79 -0.75 4.39 4.53 1n7pA1 THR 234 HB 0.09 0.03 0.18 -0.04 4.32 4.57 1n7pA1 THR 234 HG23 0.05 -0.04 0.04 -0.04 1.22 1.23 1n7pA1 SER 235 H 0.09 0.13 0.18 -0.55 8.46 8.32 1n7pA1 SER 235 HA 0.10 0.23 0.37 -0.75 4.49 4.44 1n7pA1 SER 235 HB2 0.13 0.01 0.12 -0.04 3.95 4.16 1n7pA1 SER 235 HB3 0.24 0.37 0.24 -0.04 3.93 4.74 1n7pA1 ALA 236 H 0.03 0.10 -0.15 -0.55 8.40 7.84 1n7pA1 ALA 236 HA -0.05 0.03 0.51 -0.75 4.34 4.08 1n7pA1 ALA 236 HB3 0.01 0.03 0.05 -0.04 1.41 1.47 1n7pA1 ASN 237 H 0.08 0.33 -0.39 -0.55 8.53 8.00 1n7pA1 ASN 237 HA 0.17 0.03 0.47 -0.75 4.76 4.68 1n7pA1 ASN 237 HB2 0.16 0.35 0.01 -0.04 2.88 3.35 1n7pA1 ASN 237 HB3 0.24 0.17 -0.17 -0.04 2.79 2.99 1n7pA1 ASN 237 HD21 0.10 -0.07 0.04 -0.04 7.03 7.05 1n7pA1 ASN 237 HD22 0.14 0.67 0.08 -0.04 7.74 8.59 1n7pA1 LEU 238 H 0.01 0.25 -0.23 -0.55 8.37 7.85 1n7pA1 LEU 238 HA 0.04 0.13 0.54 -0.75 4.35 4.30 1n7pA1 LEU 238 HB2 -0.21 0.03 0.13 -0.04 1.64 1.56 1n7pA1 LEU 238 HB3 -0.18 -0.01 -0.01 -0.04 1.64 1.40 1n7pA1 LEU 238 HG -0.23 -0.03 0.04 -0.04 1.64 1.38 1n7pA1 LEU 238 HD13 -0.08 0.02 -0.07 -0.04 0.93 0.76 1n7pA1 LEU 238 HD23 0.15 0.05 -0.02 -0.04 0.89 1.03 1n7pA1 THR 239 H -0.11 0.25 -0.11 -0.55 8.28 7.77 1n7pA1 THR 239 HA -0.04 0.08 0.15 -0.75 4.39 3.83 1n7pA1 THR 239 HB -0.14 0.04 -0.29 -0.04 4.32 3.90 1n7pA1 THR 239 HG23 -0.17 0.02 0.09 -0.04 1.22 1.11 1n7pA1 ALA 240 H -0.21 0.44 -0.21 -0.55 8.40 7.87 1n7pA1 ALA 240 HA -0.38 0.04 0.49 -0.75 4.34 3.74 1n7pA1 ALA 240 HB3 -0.95 0.02 0.05 -0.04 1.41 0.49 1n7pA1 THR 241 H -0.24 0.39 -0.35 -0.55 8.28 7.53 1n7pA1 THR 241 HA -0.34 0.00 0.42 -0.75 4.39 3.72 1n7pA1 THR 241 HB -0.08 0.25 0.28 -0.04 4.32 4.72 1n7pA1 THR 241 HG23 0.16 -0.03 -0.06 -0.04 1.22 1.25 1n7pA1 TYR 242 H -0.00 0.48 -0.01 -0.55 8.29 8.20 1n7pA1 TYR 242 HA -0.01 0.06 0.40 -0.75 4.56 4.26 1n7pA1 TYR 242 HB2 -0.14 0.02 0.07 -0.04 3.06 2.97 1n7pA1 TYR 242 HB3 -0.08 -0.03 -0.09 -0.04 2.98 2.73 1n7pA1 TYR 242 HD2 -0.11 0.03 -0.06 -0.04 7.15 6.97 1n7pA1 TYR 242 HE2 -0.08 0.01 -0.02 -0.04 6.85 6.71 1n7pA1 ARG 243 H -0.11 0.49 -0.33 -0.55 8.46 7.96 1n7pA1 ARG 243 HA -0.07 0.02 0.49 -0.75 4.34 4.03 1n7pA1 ARG 243 HB2 -0.21 0.15 0.16 -0.04 1.90 1.96 1n7pA1 ARG 243 HB3 -0.16 -0.05 -0.00 -0.04 1.80 1.55 1n7pA1 ARG 243 HG2 -0.09 -0.04 0.04 -0.04 1.67 1.54 1n7pA1 ARG 243 HG3 -0.10 0.04 0.05 -0.04 1.67 1.62 1n7pA1 ARG 243 HD2 -0.16 -0.01 -0.10 -0.04 3.22 2.91 1n7pA1 ARG 243 HD3 -0.13 -0.02 -0.03 -0.04 3.22 3.01 1n7pA1 LYS 244 H -0.29 0.40 -0.37 -0.55 8.42 7.60 1n7pA1 LYS 244 HA -0.27 0.02 0.48 -0.75 4.32 3.80 1n7pA1 LYS 244 HB2 -0.77 0.30 0.18 -0.04 1.87 1.54 1n7pA1 LYS 244 HB3 -0.71 -0.06 0.00 -0.04 1.79 0.98 1n7pA1 LYS 244 HG2 -0.54 -0.05 0.02 -0.04 1.46 0.85 1n7pA1 LYS 244 HG3 -0.61 0.17 0.06 -0.04 1.46 1.03 1n7pA1 LYS 244 HD2 -1.12 -0.02 -0.08 -0.04 1.69 0.42 1n7pA1 LYS 244 HD3 -2.70 0.00 -0.01 -0.04 1.68 -1.06 1n7pA1 LYS 244 HE2 -0.80 -0.06 -0.08 -0.04 2.99 2.01 1n7pA1 LYS 244 HE3 -0.84 -0.01 -0.03 -0.04 2.99 2.07 1n7pA1 LEU 245 H -0.05 0.29 -0.26 -0.55 8.37 7.80 1n7pA1 LEU 245 HA 0.04 0.05 0.57 -0.75 4.35 4.26 1n7pA1 LEU 245 HB2 0.09 0.19 0.11 -0.04 1.64 1.98 1n7pA1 LEU 245 HB3 0.08 -0.03 0.03 -0.04 1.64 1.67 1n7pA1 LEU 245 HG 0.10 0.13 0.04 -0.04 1.64 1.86 1n7pA1 LEU 245 HD13 0.06 0.00 -0.07 -0.04 0.93 0.88 1n7pA1 LEU 245 HD23 0.19 -0.02 -0.07 -0.04 0.89 0.95 1n7pA1 GLU 246 H -0.01 0.41 -0.14 -0.55 8.60 8.32 1n7pA1 GLU 246 HA 0.02 0.02 0.48 -0.75 4.29 4.05 1n7pA1 GLU 246 HB2 0.00 0.11 0.16 -0.04 2.09 2.32 1n7pA1 GLU 246 HB3 -0.04 0.12 0.16 -0.04 1.99 2.19 1n7pA1 GLU 246 HG2 -0.03 -0.01 -0.26 -0.04 2.34 2.00 1n7pA1 GLU 246 HG3 0.01 -0.05 -0.08 -0.04 2.34 2.17 1n7pA1 GLU 247 H -0.07 0.47 -0.21 -0.55 8.60 8.24 1n7pA1 GLU 247 HA -0.05 0.04 0.44 -0.75 4.29 3.96 1n7pA1 GLU 247 HB2 -0.11 0.15 0.09 -0.04 2.09 2.18 1n7pA1 GLU 247 HB3 -0.08 -0.05 0.01 -0.04 1.99 1.83 1n7pA1 GLU 247 HG2 -0.08 -0.03 0.03 -0.04 2.34 2.21 1n7pA1 GLU 247 HG3 -0.10 0.16 0.08 -0.04 2.34 2.44 1n7pA1 MET 248 H -0.05 0.39 -0.28 -0.55 8.47 7.99 1n7pA1 MET 248 HA -0.07 -0.03 0.47 -0.75 4.52 4.13 1n7pA1 MET 248 HB2 -0.00 0.20 0.17 -0.04 2.15 2.47 1n7pA1 MET 248 HB3 -0.04 -0.05 -0.00 -0.04 2.03 1.89 1n7pA1 MET 248 HG2 -0.11 -0.08 0.04 -0.04 2.63 2.44 1n7pA1 MET 248 HG3 -0.05 0.25 0.12 -0.04 2.56 2.84 1n7pA1 MET 248 HE3 0.16 0.01 -0.12 -0.04 2.10 2.12 1n7pA1 ALA 249 H 0.01 0.48 -0.22 -0.55 8.40 8.13 1n7pA1 ALA 249 HA 0.05 0.01 0.33 -0.75 4.34 3.97 1n7pA1 ALA 249 HB3 0.07 0.03 0.10 -0.04 1.41 1.58 1n7pA1 LYS 250 H 0.01 0.48 -0.26 -0.55 8.42 8.09 1n7pA1 LYS 250 HA 0.04 0.02 0.42 -0.75 4.32 4.05 1n7pA1 LYS 250 HB2 -0.01 0.18 0.17 -0.04 1.87 2.17 1n7pA1 LYS 250 HB3 -0.01 -0.09 -0.01 -0.04 1.79 1.65 1n7pA1 LYS 250 HG2 -0.03 -0.08 0.01 -0.04 1.46 1.32 1n7pA1 LYS 250 HG3 -0.02 0.18 0.02 -0.04 1.46 1.60 1n7pA1 LYS 250 HD2 -0.06 -0.04 0.01 -0.04 1.69 1.55 1n7pA1 LYS 250 HD3 -0.09 -0.04 0.05 -0.04 1.68 1.56 1n7pA1 LYS 250 HE2 -0.11 0.09 0.01 -0.04 2.99 2.94 1n7pA1 LYS 250 HE3 -0.07 -0.06 -0.07 -0.04 2.99 2.75 1n7pA1 GLN 251 H 0.03 0.40 -0.25 -0.55 8.47 8.10 1n7pA1 GLN 251 HA 0.07 0.02 0.36 -0.75 4.36 4.06 1n7pA1 GLN 251 HB2 0.06 0.10 0.08 -0.04 2.15 2.36 1n7pA1 GLN 251 HB3 0.21 -0.16 -0.02 -0.04 2.02 2.02 1n7pA1 GLN 251 HG2 0.03 0.20 -0.02 -0.04 2.40 2.56 1n7pA1 GLN 251 HG3 0.09 -0.01 -0.19 -0.04 2.39 2.25 1n7pA1 GLN 251 HE21 0.00 -0.01 0.01 -0.04 6.97 6.93 1n7pA1 GLN 251 HE22 0.09 -0.05 -0.07 -0.04 7.69 7.62 1n7pA1 VAL 252 H 0.06 0.68 -0.08 -0.55 8.24 8.34 1n7pA1 VAL 252 HA 0.11 0.16 0.28 -0.75 4.13 3.93 1n7pA1 VAL 252 HB -0.01 0.15 0.06 -0.04 2.12 2.27 1n7pA1 VAL 252 HG13 -0.02 0.03 -0.11 -0.04 0.97 0.82 1n7pA1 VAL 252 HG23 -0.11 -0.03 0.05 -0.04 0.95 0.82 1n7pA1 THR 253 H 0.13 0.28 -0.67 -0.55 8.28 7.47 1n7pA1 THR 253 HA 0.28 0.12 0.76 -0.75 4.39 4.80 1n7pA1 THR 253 HB 0.16 -0.09 0.17 -0.04 4.32 4.52 1n7pA1 THR 253 HG23 0.19 0.06 -0.09 -0.04 1.22 1.34 1n7pA1 ASN 254 H 0.17 0.37 -0.32 -0.55 8.53 8.21 1n7pA1 ASN 254 HA -0.02 0.15 0.85 -0.75 4.76 4.98 1n7pA1 ASN 254 HB2 0.02 0.19 0.13 -0.04 2.88 3.18 1n7pA1 ASN 254 HB3 -0.01 0.02 0.28 -0.04 2.79 3.04 1n7pA1 ASN 254 HD21 -0.80 -0.03 -0.06 -0.04 7.03 6.10 1n7pA1 ASN 254 HD22 -0.11 0.05 -0.03 -0.04 7.74 7.61 1n7pA1 PRO 255 HA -2.06 0.10 0.28 -0.51 4.44 2.25 1n7pA1 PRO 255 HB2 -0.28 -0.01 -0.00 -0.04 2.28 1.95 1n7pA1 PRO 255 HB3 -0.54 0.03 0.07 -0.04 2.02 1.54 1n7pA1 PRO 255 HG2 -0.16 0.05 0.05 -0.04 2.03 1.92 1n7pA1 PRO 255 HG3 -0.34 0.06 0.02 -0.04 2.03 1.73 1n7pA1 PRO 255 HD2 -0.14 0.08 0.18 -0.04 3.68 3.76 1n7pA1 PRO 255 HD3 -0.09 0.40 0.20 -0.04 3.65 4.12 1n7pA1 SER 256 H -0.25 0.01 -0.49 -0.55 8.46 7.19 1n7pA1 SER 256 HA -0.10 0.19 0.62 -0.75 4.49 4.44 1n7pA1 SER 256 HB2 -0.32 -0.03 -0.06 -0.04 3.95 3.50 1n7pA1 SER 256 HB3 0.01 -0.02 0.05 -0.04 3.93 3.93 1n7pA1 SER 257 H -0.13 0.47 -0.11 -0.55 8.46 8.15 1n7pA1 SER 257 HA -0.08 0.04 0.65 -0.75 4.49 4.34 1n7pA1 SER 257 HB2 -0.01 -0.03 0.14 -0.04 3.95 4.00 1n7pA1 SER 257 HB3 0.06 0.37 0.16 -0.04 3.93 4.49 1n7pA1 ARG 258 H -0.17 0.12 0.17 -0.55 8.46 8.03 1n7pA1 ARG 258 HA -0.13 0.16 0.50 -0.75 4.34 4.12 1n7pA1 ARG 258 HB2 -0.24 0.03 0.11 -0.04 1.90 1.76 1n7pA1 ARG 258 HB3 -0.21 0.01 0.14 -0.04 1.80 1.70 1n7pA1 ARG 258 HG2 -0.75 -0.07 0.04 -0.04 1.67 0.85 1n7pA1 ARG 258 HG3 -1.27 0.04 -0.35 -0.04 1.67 0.04 1n7pA1 ARG 258 HD2 -0.41 0.00 -0.06 -0.04 3.22 2.71 1n7pA1 ARG 258 HD3 -0.23 0.01 -0.01 -0.04 3.22 2.96 1n7pA1 TYR 259 H -0.20 -0.02 -0.31 -0.55 8.29 7.22 1n7pA1 TYR 259 HA 0.02 0.19 0.78 -0.75 4.56 4.79 1n7pA1 TYR 259 HB2 0.02 0.01 -0.19 -0.04 3.06 2.85 1n7pA1 TYR 259 HB3 0.00 -0.05 0.04 -0.04 2.98 2.93 1n7pA1 TYR 259 HD2 -0.00 -0.01 -0.04 -0.04 7.15 7.06 1n7pA1 TYR 259 HE2 -0.00 0.05 -0.01 -0.04 6.85 6.85 1n7pA1 TYR 260 H 0.16 0.41 -0.45 -0.55 8.29 7.86 1n7pA1 TYR 260 HA 0.04 0.11 0.32 -0.75 4.56 4.27 1n7pA1 TYR 260 HB2 -0.00 0.17 0.03 -0.04 3.06 3.21 1n7pA1 TYR 260 HB3 -0.00 -0.02 0.02 -0.04 2.98 2.93 1n7pA1 TYR 260 HD2 0.02 0.01 -0.30 -0.04 7.15 6.84 1n7pA1 TYR 260 HE2 0.04 -0.00 -0.12 -0.04 6.85 6.72 1n7pA1 GLN 261 H -0.16 0.60 0.34 -0.55 8.47 8.70 1n7pA1 GLN 261 HA -0.16 0.01 0.31 -0.75 4.36 3.76 1n7pA1 GLN 261 HB2 -0.39 0.11 -0.32 -0.04 2.15 1.51 1n7pA1 GLN 261 HB3 -0.17 -0.07 0.15 -0.04 2.02 1.89 1n7pA1 GLN 261 HG2 -0.20 0.01 0.04 -0.04 2.40 2.21 1n7pA1 GLN 261 HG3 -1.32 0.04 -0.04 -0.04 2.39 1.02 1n7pA1 GLN 261 HE21 -0.06 -0.03 -0.02 -0.04 6.97 6.83 1n7pA1 GLN 261 HE22 -0.16 0.03 -0.01 -0.04 7.69 7.50 1n7pA1 ASP 262 H -0.01 0.45 -0.40 -0.55 8.40 7.89 1n7pA1 ASP 262 HA -0.01 0.06 0.34 -0.75 4.63 4.27 1n7pA1 ASP 262 HB2 0.09 0.17 -0.05 -0.04 2.71 2.89 1n7pA1 ASP 262 HB3 0.09 -0.01 0.14 -0.04 2.70 2.87 1n7pA1 GLU 263 H -0.02 0.21 0.23 -0.55 8.60 8.47 1n7pA1 GLU 263 HA -0.06 0.11 0.31 -0.75 4.29 3.90 1n7pA1 GLU 263 HB2 -0.03 0.01 0.04 -0.04 2.09 2.07 1n7pA1 GLU 263 HB3 -0.02 0.09 0.16 -0.04 1.99 2.17 1n7pA1 GLU 263 HG2 -0.01 0.06 0.08 -0.04 2.34 2.43 1n7pA1 GLU 263 HG3 -0.01 -0.22 0.13 -0.04 2.34 2.19 1n7pA1 THR 264 H -0.01 0.11 -0.12 -0.55 8.28 7.71 1n7pA1 THR 264 HA -0.03 0.10 0.42 -0.75 4.39 4.11 1n7pA1 THR 264 HB 0.01 -0.02 0.06 -0.04 4.32 4.33 1n7pA1 THR 264 HG23 -0.02 0.02 -0.10 -0.04 1.22 1.08 1n7pA1 VAL 265 H -0.02 0.13 -0.26 -0.55 8.24 7.54 1n7pA1 VAL 265 HA -0.06 0.06 0.39 -0.75 4.13 3.76 1n7pA1 VAL 265 HB -0.04 0.14 0.10 -0.04 2.12 2.29 1n7pA1 VAL 265 HG13 -0.08 0.01 -0.09 -0.04 0.97 0.76 1n7pA1 VAL 265 HG23 -0.06 -0.02 -0.00 -0.04 0.95 0.83 1n7pA1 VAL 266 H -0.14 0.54 -0.11 -0.55 8.24 7.97 1n7pA1 VAL 266 HA -0.28 0.04 0.40 -0.75 4.13 3.54 1n7pA1 VAL 266 HB -0.21 0.05 0.08 -0.04 2.12 2.00 1n7pA1 VAL 266 HG13 -0.35 -0.00 -0.10 -0.04 0.97 0.48 1n7pA1 VAL 266 HG23 -0.61 0.05 -0.09 -0.04 0.95 0.26 1n7pA1 ARG 267 H -0.10 0.53 -0.11 -0.55 8.46 8.23 1n7pA1 ARG 267 HA -0.08 0.02 0.45 -0.75 4.34 3.98 1n7pA1 ARG 267 HB2 -0.05 0.02 0.12 -0.04 1.90 1.94 1n7pA1 ARG 267 HB3 -0.05 0.09 0.15 -0.04 1.80 1.94 1n7pA1 ARG 267 HG2 -0.04 -0.00 -0.21 -0.04 1.67 1.38 1n7pA1 ARG 267 HG3 -0.03 -0.05 0.06 -0.04 1.67 1.61 1n7pA1 ARG 267 HD2 -0.02 -0.03 -0.02 -0.04 3.22 3.11 1n7pA1 ARG 267 HD3 -0.03 0.00 0.00 -0.04 3.22 3.16 1n7pA1 THR 268 H -0.06 0.58 -0.16 -0.55 8.28 8.09 1n7pA1 THR 268 HA -0.06 -0.01 0.43 -0.75 4.39 4.00 1n7pA1 THR 268 HB -0.05 0.10 0.19 -0.04 4.32 4.52 1n7pA1 THR 268 HG23 -0.04 -0.02 -0.14 -0.04 1.22 0.99 1n7pA1 VAL 269 H -0.04 0.61 -0.13 -0.55 8.24 8.13 1n7pA1 VAL 269 HA 0.05 -0.00 0.50 -0.75 4.13 3.93 1n7pA1 VAL 269 HB 0.00 0.12 0.14 -0.04 2.12 2.34 1n7pA1 VAL 269 HG13 0.21 -0.01 -0.15 -0.04 0.97 0.97 1n7pA1 VAL 269 HG23 0.02 0.02 0.01 -0.04 0.95 0.96 1n7pA1 ARG 270 H -0.05 0.59 -0.04 -0.55 8.46 8.41 1n7pA1 ARG 270 HA 0.14 0.02 0.46 -0.75 4.34 4.21 1n7pA1 ARG 270 HB2 -0.09 0.07 0.21 -0.04 1.90 2.04 1n7pA1 ARG 270 HB3 -0.06 -0.07 -0.00 -0.04 1.80 1.63 1n7pA1 ARG 270 HG2 -0.91 -0.04 0.04 -0.04 1.67 0.72 1n7pA1 ARG 270 HG3 -0.37 0.14 0.09 -0.04 1.67 1.49 1n7pA1 ARG 270 HD2 -0.33 0.21 0.06 -0.04 3.22 3.11 1n7pA1 ARG 270 HD3 -0.18 -0.06 -0.08 -0.04 3.22 2.86 1n7pA1 ASP 271 H 0.00 0.75 -0.08 -0.55 8.40 8.52 1n7pA1 ASP 271 HA 0.09 0.03 0.46 -0.75 4.63 4.45 1n7pA1 ASP 271 HB2 -0.01 0.15 0.12 -0.04 2.71 2.92 1n7pA1 ASP 271 HB3 0.02 -0.07 0.02 -0.04 2.70 2.63 1n7pA1 SER 272 H 0.02 0.51 -0.25 -0.55 8.46 8.20 1n7pA1 SER 272 HA 0.03 -0.01 0.43 -0.75 4.49 4.19 1n7pA1 SER 272 HB2 0.02 0.23 0.26 -0.04 3.95 4.42 1n7pA1 SER 272 HB3 0.02 -0.09 -0.04 -0.04 3.93 3.77 1n7pA1 MET 273 H 0.03 0.54 -0.16 -0.55 8.47 8.33 1n7pA1 MET 273 HA 0.04 0.00 0.47 -0.75 4.52 4.28 1n7pA1 MET 273 HB2 -0.30 0.16 0.13 -0.04 2.15 2.09 1n7pA1 MET 273 HB3 -0.92 -0.04 0.00 -0.04 2.03 1.03 1n7pA1 MET 273 HG2 0.02 0.15 0.10 -0.04 2.63 2.86 1n7pA1 MET 273 HG3 -0.12 -0.02 -0.02 -0.04 2.56 2.35 1n7pA1 MET 273 HE3 -0.23 0.01 -0.01 -0.04 2.10 1.83 1n7pA1 GLU 274 H 0.11 0.34 -0.30 -0.55 8.60 8.20 1n7pA1 GLU 274 HA 0.47 0.03 0.44 -0.75 4.29 4.47 1n7pA1 GLU 274 HB2 0.29 0.05 0.13 -0.04 2.09 2.52 1n7pA1 GLU 274 HB3 0.20 0.16 0.17 -0.04 1.99 2.48 1n7pA1 GLU 274 HG2 0.16 -0.03 -0.00 -0.04 2.34 2.43 1n7pA1 GLU 274 HG3 0.19 -0.01 -0.14 -0.04 2.34 2.34 1n7pA1 TRP 275 H 0.29 0.45 -0.14 -0.55 7.97 8.02 1n7pA1 TRP 275 HA 0.01 0.04 0.31 -0.75 4.62 4.22 1n7pA1 TRP 275 HB2 -0.07 0.07 0.10 -0.04 3.23 3.29 1n7pA1 TRP 275 HB3 -0.08 0.01 0.13 -0.04 3.23 3.25 1n7pA1 TRP 275 HD1 -0.16 -0.04 -0.04 -0.04 7.22 6.93 1n7pA1 TRP 275 HE1 -0.39 0.11 -0.15 -0.04 10.20 9.74 1n7pA1 TRP 275 HE3 -0.07 0.02 -0.30 -0.04 7.59 7.19 1n7pA1 TRP 275 HZ2 -0.17 0.46 -0.12 -0.04 7.44 7.56 1n7pA1 TRP 275 HZ3 -0.01 -0.04 -0.12 -0.04 7.13 6.92 1n7pA1 TRP 275 HH2 0.00 0.11 -0.37 -0.04 7.19 6.89 1n7pA1 MET 276 H 0.34 0.57 0.01 -0.55 8.47 8.84 1n7pA1 MET 276 HA 0.13 -0.01 0.49 -0.75 4.52 4.37 1n7pA1 MET 276 HB2 0.13 0.15 0.12 -0.04 2.15 2.51 1n7pA1 MET 276 HB3 0.15 -0.07 0.04 -0.04 2.03 2.11 1n7pA1 MET 276 HG2 0.23 0.03 0.09 -0.04 2.63 2.94 1n7pA1 MET 276 HG3 -0.30 -0.02 0.01 -0.04 2.56 2.21 1n7pA1 MET 276 HE3 0.29 0.00 0.02 -0.04 2.10 2.37 1n7pA1 HIS 277 H 0.32 0.46 -0.38 -0.55 8.41 8.27 1n7pA1 HIS 277 HA 0.22 0.19 0.52 -0.75 4.63 4.80 1n7pA1 HIS 277 HB2 0.43 -0.02 0.13 -0.04 3.26 3.76 1n7pA1 HIS 277 HB3 0.33 0.11 0.21 -0.04 3.20 3.80 1n7pA1 HIS 277 HD2 0.08 0.03 -0.16 -0.04 6.97 6.88 1n7pA1 HIS 277 HE1 -0.03 -0.06 0.05 -0.04 7.75 7.66 1n7pA1 LYS 278 H -0.01 0.39 -0.24 -0.55 8.42 8.01 1n7pA1 LYS 278 HA -0.26 0.09 0.69 -0.75 4.32 4.10 1n7pA1 LYS 278 HB2 -0.02 0.11 0.14 -0.04 1.87 2.06 1n7pA1 LYS 278 HB3 0.01 -0.05 -0.01 -0.04 1.79 1.70 1n7pA1 LYS 278 HG2 0.10 -0.02 -0.05 -0.04 1.46 1.45 1n7pA1 LYS 278 HG3 0.19 0.05 -0.00 -0.04 1.46 1.66 1n7pA1 LYS 278 HD2 0.08 -0.04 -0.02 -0.04 1.69 1.67 1n7pA1 LYS 278 HD3 0.04 0.00 -0.01 -0.04 1.68 1.67 1n7pA1 LYS 278 HE2 0.03 0.00 -0.00 -0.04 2.99 2.98 1n7pA1 LYS 278 HE3 0.03 -0.04 -0.01 -0.04 2.99 2.93 1n7pA1 HIS 279 H -0.31 0.34 -0.02 -0.55 8.41 7.87 1n7pA1 HIS 279 HA -0.36 0.18 0.80 -0.75 4.63 4.50 1n7pA1 HIS 279 HB2 -1.55 0.06 0.02 -0.04 3.26 1.75 1n7pA1 HIS 279 HB3 -0.71 -0.02 0.01 -0.04 3.20 2.44 1n7pA1 HIS 279 HD2 -0.51 -0.11 -0.25 -0.04 6.97 6.06 1n7pA1 HIS 279 HE1 -0.01 0.01 -0.00 -0.04 7.75 7.70 1n7pA1 VAL 280 H -0.13 0.30 -0.07 -0.55 8.24 7.79 1n7pA1 VAL 280 HA -0.25 0.21 1.03 -0.75 4.13 4.36 1n7pA1 VAL 280 HB 0.11 0.05 0.20 -0.04 2.12 2.43 1n7pA1 VAL 280 HG13 0.11 -0.02 -0.06 -0.04 0.97 0.96 1n7pA1 VAL 280 HG23 -0.07 -0.00 -0.14 -0.04 0.95 0.69 1n7pA1 TYR 281 H 0.18 0.66 0.16 -0.55 8.29 8.74 1n7pA1 TYR 281 HA 0.16 0.12 0.86 -0.75 4.56 4.95 1n7pA1 TYR 281 HB2 0.15 -0.05 -0.13 -0.04 3.06 2.99 1n7pA1 TYR 281 HB3 0.27 0.01 0.09 -0.04 2.98 3.31 1n7pA1 TYR 281 HD2 -0.05 0.03 -0.06 -0.04 7.15 7.03 1n7pA1 TYR 281 HE2 -0.28 -0.04 -0.10 -0.04 6.85 6.39 1n7pA1 ASN 282 H 0.02 0.29 0.11 -0.55 8.53 8.40 1n7pA1 ASN 282 HA -0.09 0.09 0.58 -0.75 4.76 4.59 1n7pA1 ASN 282 HB2 -0.17 -0.15 0.15 -0.04 2.88 2.67 1n7pA1 ASN 282 HB3 -0.25 0.46 -0.00 -0.04 2.79 2.96 1n7pA1 ASN 282 HD21 -0.14 0.04 -0.34 -0.04 7.03 6.55 1n7pA1 ASN 282 HD22 -0.21 0.26 -0.44 -0.04 7.74 7.32 1n7pA1 SER 283 H -0.09 0.17 0.12 -0.55 8.46 8.12 1n7pA1 SER 283 HA -0.26 0.10 0.34 -0.75 4.49 3.91 1n7pA1 SER 283 HB2 -0.08 -0.02 0.07 -0.04 3.95 3.88 1n7pA1 SER 283 HB3 -0.12 0.06 0.01 -0.04 3.93 3.84 1n7pA1 GLU 284 H -0.09 0.03 -0.31 -0.55 8.60 7.68 1n7pA1 GLU 284 HA -0.07 0.09 0.40 -0.75 4.29 3.96 1n7pA1 GLU 284 HB2 -0.06 0.03 -0.07 -0.04 2.09 1.94 1n7pA1 GLU 284 HB3 -0.05 0.01 0.08 -0.04 1.99 1.99 1n7pA1 GLU 284 HG2 -0.06 0.01 -0.01 -0.04 2.34 2.24 1n7pA1 GLU 284 HG3 -0.07 -0.08 -0.00 -0.04 2.34 2.14 1n7pA1 LYS 285 H -0.03 0.44 -0.45 -0.55 8.42 7.83 1n7pA1 LYS 285 HA 0.09 0.10 0.61 -0.75 4.32 4.36 1n7pA1 LYS 285 HB2 0.35 0.03 0.05 -0.04 1.87 2.26 1n7pA1 LYS 285 HB3 0.32 0.03 0.09 -0.04 1.79 2.19 1n7pA1 LYS 285 HG2 0.04 -0.13 -0.19 -0.04 1.46 1.14 1n7pA1 LYS 285 HG3 0.15 -0.06 -0.03 -0.04 1.46 1.48 1n7pA1 LYS 285 HD2 0.15 0.11 0.01 -0.04 1.69 1.92 1n7pA1 LYS 285 HD3 0.10 -0.03 -0.06 -0.04 1.68 1.65 1n7pA1 LYS 285 HE2 -0.04 -0.06 -0.23 -0.04 2.99 2.62 1n7pA1 LYS 285 HE3 -0.05 -0.06 -0.45 -0.04 2.99 2.39 1n7pA1 SER 286 H 0.16 0.17 0.15 -0.55 8.46 8.40 1n7pA1 SER 286 HA 0.21 0.19 0.79 -0.75 4.49 4.93 1n7pA1 SER 286 HB2 0.06 -0.03 0.02 -0.04 3.95 3.95 1n7pA1 SER 286 HB3 0.05 0.01 0.03 -0.04 3.93 3.98 1n7pA1 ILE 287 H 0.07 0.14 0.05 -0.55 8.25 7.96 1n7pA1 ILE 287 HA -1.46 0.02 0.37 -0.75 4.18 2.36 1n7pA1 ILE 287 HB -0.08 0.02 0.07 -0.04 1.89 1.86 1n7pA1 ILE 287 HG12 -0.39 -0.06 -0.03 -0.04 1.49 0.98 1n7pA1 ILE 287 HG13 -0.14 0.08 -0.00 -0.04 1.21 1.11 1n7pA1 ILE 287 HG23 -0.13 -0.04 -0.37 -0.04 0.93 0.35 1n7pA1 ILE 287 HD13 0.16 -0.00 -0.03 -0.04 0.88 0.97 1n7pA1 VAL 288 H -0.39 0.21 0.13 -0.55 8.24 7.65 1n7pA1 VAL 288 HA 0.00 0.11 0.75 -0.75 4.13 4.24 1n7pA1 VAL 288 HB 0.18 0.05 0.21 -0.04 2.12 2.52 1n7pA1 VAL 288 HG13 0.05 0.01 0.03 -0.04 0.97 1.02 1n7pA1 VAL 288 HG23 0.09 0.08 -0.12 -0.04 0.95 0.96 1n7pA1 GLY 289 H 0.03 0.19 0.09 -0.55 8.43 8.19 1n7pA1 GLY 289 HA2 0.05 0.05 0.38 -0.51 4.01 3.98 1n7pA1 GLY 289 HA3 0.08 0.04 0.90 -0.51 4.01 4.52 1n7pA1 ASN 290 H 0.07 0.07 0.18 -0.55 8.53 8.30 1n7pA1 ASN 290 HA 0.06 0.15 0.53 -0.75 4.76 4.75 1n7pA1 ASN 290 HB2 -0.03 0.07 0.12 -0.04 2.88 3.01 1n7pA1 ASN 290 HB3 -0.08 -0.06 0.15 -0.04 2.79 2.77 1n7pA1 ASN 290 HD21 -0.24 0.06 -0.00 -0.04 7.03 6.81 1n7pA1 ASN 290 HD22 -0.13 0.06 0.01 -0.04 7.74 7.64 1n7pA1 TRP 291 H 0.28 0.26 0.21 -0.55 7.97 8.17 1n7pA1 TRP 291 HA 0.00 0.13 0.34 -0.75 4.62 4.34 1n7pA1 TRP 291 HB2 0.03 0.02 0.07 -0.04 3.23 3.31 1n7pA1 TRP 291 HB3 -0.00 0.12 0.14 -0.04 3.23 3.44 1n7pA1 TRP 291 HD1 -0.02 0.06 0.10 -0.04 7.22 7.32 1n7pA1 TRP 291 HE1 -0.06 0.04 0.01 -0.04 10.20 10.15 1n7pA1 TRP 291 HE3 0.00 -0.01 -0.23 -0.04 7.59 7.32 1n7pA1 TRP 291 HZ2 -0.12 0.01 -0.03 -0.04 7.44 7.27 1n7pA1 TRP 291 HZ3 -0.98 0.08 -0.09 -0.04 7.13 6.11 1n7pA1 TRP 291 HH2 -0.48 0.02 -0.05 -0.04 7.19 6.64 1n7pA1 ALA 292 H -1.30 0.09 -0.25 -0.55 8.40 6.40 1n7pA1 ALA 292 HA -1.33 0.12 0.36 -0.75 4.34 2.74 1n7pA1 ALA 292 HB3 -1.03 0.03 0.03 -0.04 1.41 0.40 1n7pA1 ASP 293 H -0.24 0.30 -0.30 -0.55 8.40 7.62 1n7pA1 ASP 293 HA -0.20 -0.04 0.62 -0.75 4.63 4.26 1n7pA1 ASP 293 HB2 -0.04 0.17 0.08 -0.04 2.71 2.87 1n7pA1 ASP 293 HB3 -0.19 0.11 0.01 -0.04 2.70 2.59 1n7pA1 TYR 294 H 0.14 0.21 -0.16 -0.55 8.29 7.94 1n7pA1 TYR 294 HA -0.12 0.11 0.47 -0.75 4.56 4.27 1n7pA1 TYR 294 HB2 -0.13 -0.02 0.11 -0.04 3.06 2.98 1n7pA1 TYR 294 HB3 -0.67 0.07 -0.05 -0.04 2.98 2.29 1n7pA1 TYR 294 HD2 -0.77 0.05 -0.08 -0.04 7.15 6.31 1n7pA1 TYR 294 HE2 0.09 0.13 -0.05 -0.04 6.85 6.98 1n7pA1 GLU 295 H 0.06 0.07 -0.29 -0.55 8.60 7.89 1n7pA1 GLU 295 HA 0.26 0.28 0.76 -0.75 4.29 4.84 1n7pA1 GLU 295 HB2 0.46 -0.08 -0.01 -0.04 2.09 2.42 1n7pA1 GLU 295 HB3 0.57 0.04 0.01 -0.04 1.99 2.58 1n7pA1 GLU 295 HG2 0.39 0.16 -0.20 -0.04 2.34 2.64 1n7pA1 GLU 295 HG3 0.37 0.02 -0.05 -0.04 2.34 2.63 1n7pA1 ILE 296 H -0.07 0.21 -0.04 -0.55 8.25 7.80 1n7pA1 ILE 296 HA 0.06 0.26 0.90 -0.75 4.18 4.64 1n7pA1 ILE 296 HB -0.24 0.03 0.21 -0.04 1.89 1.84 1n7pA1 ILE 296 HG12 0.02 0.13 -0.17 -0.04 1.49 1.43 1n7pA1 ILE 296 HG13 -0.12 -0.11 -0.35 -0.04 1.21 0.59 1n7pA1 ILE 296 HG23 -0.06 -0.00 -0.15 -0.04 0.93 0.67 1n7pA1 ILE 296 HD13 -0.48 -0.03 -0.04 -0.04 0.88 0.29 1n7pA1 GLY 297 H -0.17 0.40 0.25 -0.55 8.43 8.36 1n7pA1 GLY 297 HA2 -0.11 0.06 0.30 -0.51 4.01 3.76 1n7pA1 GLY 297 HA3 -0.15 -0.03 0.36 -0.51 4.01 3.68 1n7pA1 THR 298 H -0.20 0.45 -0.00 -0.55 8.28 7.98 1n7pA1 THR 298 HA -0.24 -0.01 0.37 -0.75 4.39 3.76 1n7pA1 THR 298 HB -0.48 0.32 0.12 -0.04 4.32 4.23 1n7pA1 THR 298 HG23 -1.18 -0.00 -0.20 -0.04 1.22 -0.20 1n7pA1 PRO 299 HA -0.05 0.03 0.45 -0.51 4.44 4.36 1n7pA1 PRO 299 HB2 0.06 0.11 -0.15 -0.04 2.28 2.25 1n7pA1 PRO 299 HB3 0.08 0.02 0.00 -0.04 2.02 2.08 1n7pA1 PRO 299 HG2 0.14 0.12 -0.32 -0.04 2.03 1.92 1n7pA1 PRO 299 HG3 0.17 0.07 -0.10 -0.04 2.03 2.14 1n7pA1 PRO 299 HD2 -0.05 -0.08 -0.79 -0.04 3.68 2.73 1n7pA1 PRO 299 HD3 -0.13 0.18 -0.24 -0.04 3.65 3.41 1n7pA1 ARG 300 H -0.03 0.60 -0.31 -0.55 8.46 8.17 1n7pA1 ARG 300 HA 0.05 0.13 0.48 -0.75 4.34 4.25 1n7pA1 ARG 300 HB2 -0.01 0.10 0.07 -0.04 1.90 2.02 1n7pA1 ARG 300 HB3 0.06 -0.05 -0.07 -0.04 1.80 1.69 1n7pA1 ARG 300 HG2 0.09 0.02 -0.15 -0.04 1.67 1.58 1n7pA1 ARG 300 HG3 0.04 0.09 -0.06 -0.04 1.67 1.70 1n7pA1 ARG 300 HD2 0.05 -0.07 -0.07 -0.04 3.22 3.09 1n7pA1 ARG 300 HD3 -0.01 -0.05 -0.15 -0.04 3.22 2.97 1n7pA1 ALA 301 H -0.07 0.39 -0.20 -0.55 8.40 7.97 1n7pA1 ALA 301 HA 0.00 0.02 0.38 -0.75 4.34 3.98 1n7pA1 ALA 301 HB3 -0.04 0.04 -0.07 -0.04 1.41 1.30 1n7pA1 ILE 302 H -0.14 0.55 -0.07 -0.55 8.25 8.04 1n7pA1 ILE 302 HA -0.03 0.02 0.53 -0.75 4.18 3.94 1n7pA1 ILE 302 HB -0.11 0.05 0.12 -0.04 1.89 1.90 1n7pA1 ILE 302 HG12 -0.32 -0.04 0.02 -0.04 1.49 1.12 1n7pA1 ILE 302 HG13 -0.73 0.03 0.02 -0.04 1.21 0.49 1n7pA1 ILE 302 HG23 -0.01 0.02 -0.16 -0.04 0.93 0.74 1n7pA1 ILE 302 HD13 -0.47 0.01 -0.08 -0.04 0.88 0.31 1n7pA1 ASN 303 H 0.00 0.59 -0.19 -0.55 8.53 8.38 1n7pA1 ASN 303 HA 0.02 -0.00 0.31 -0.75 4.76 4.33 1n7pA1 ASN 303 HB2 0.07 0.17 0.20 -0.04 2.88 3.28 1n7pA1 ASN 303 HB3 0.04 -0.10 -0.07 -0.04 2.79 2.62 1n7pA1 ASN 303 HD21 0.01 0.08 0.15 -0.04 7.03 7.22 1n7pA1 ASN 303 HD22 0.01 0.10 0.17 -0.04 7.74 7.98 1n7pA1 ASN 304 H 0.10 0.49 -0.23 -0.55 8.53 8.34 1n7pA1 ASN 304 HA 0.28 0.02 0.34 -0.75 4.76 4.65 1n7pA1 ASN 304 HB2 0.07 0.05 0.11 -0.04 2.88 3.07 1n7pA1 ASN 304 HB3 0.07 -0.04 -0.02 -0.04 2.79 2.76 1n7pA1 ASN 304 HD21 0.16 -0.05 -0.04 -0.04 7.03 7.06 1n7pA1 ASN 304 HD22 0.04 -0.04 -0.05 -0.04 7.74 7.66 1n7pA1 THR 305 H 0.05 0.47 -0.20 -0.55 8.28 8.04 1n7pA1 THR 305 HA 0.06 -0.01 0.42 -0.75 4.39 4.11 1n7pA1 THR 305 HB 0.01 0.13 0.13 -0.04 4.32 4.56 1n7pA1 THR 305 HG23 0.07 -0.01 -0.17 -0.04 1.22 1.07 1n7pA1 LEU 306 H -0.02 0.54 -0.17 -0.55 8.37 8.18 1n7pA1 LEU 306 HA -0.11 0.02 0.29 -0.75 4.35 3.79 1n7pA1 LEU 306 HB2 -0.04 0.09 0.04 -0.04 1.64 1.69 1n7pA1 LEU 306 HB3 -0.12 -0.06 -0.04 -0.04 1.64 1.38 1n7pA1 LEU 306 HG -0.17 0.09 0.02 -0.04 1.64 1.54 1n7pA1 LEU 306 HD13 -0.05 -0.01 -0.12 -0.04 0.93 0.71 1n7pA1 LEU 306 HD23 -0.82 -0.02 -0.11 -0.04 0.89 -0.11 1n7pA1 SER 307 H 0.10 0.50 -0.29 -0.55 8.46 8.22 1n7pA1 SER 307 HA 0.12 -0.02 0.34 -0.75 4.49 4.17 1n7pA1 SER 307 HB2 0.21 0.05 0.08 -0.04 3.95 4.25 1n7pA1 SER 307 HB3 0.26 0.10 0.12 -0.04 3.93 4.36 1n7pA1 LEU 308 H 0.12 0.58 -0.16 -0.55 8.37 8.36 1n7pA1 LEU 308 HA 0.11 -0.02 0.36 -0.75 4.35 4.05 1n7pA1 LEU 308 HB2 0.10 0.08 0.10 -0.04 1.64 1.88 1n7pA1 LEU 308 HB3 0.10 0.03 -0.11 -0.04 1.64 1.62 1n7pA1 LEU 308 HG 0.07 0.02 0.02 -0.04 1.64 1.71 1n7pA1 LEU 308 HD13 0.02 -0.02 -0.17 -0.04 0.93 0.72 1n7pA1 LEU 308 HD23 0.03 -0.02 -0.00 -0.04 0.89 0.86 1n7pA1 MET 309 H 0.17 0.49 -0.34 -0.55 8.47 8.25 1n7pA1 MET 309 HA 0.31 0.12 0.62 -0.75 4.52 4.82 1n7pA1 MET 309 HB2 0.31 0.25 0.06 -0.04 2.15 2.72 1n7pA1 MET 309 HB3 0.45 -0.11 0.12 -0.04 2.03 2.45 1n7pA1 MET 309 HG2 0.21 -0.01 -0.06 -0.04 2.63 2.73 1n7pA1 MET 309 HG3 0.16 0.01 -0.12 -0.04 2.56 2.57 1n7pA1 MET 309 HE3 -0.19 -0.00 -0.01 -0.04 2.10 1.86 1n7pA1 LYS 310 H 0.16 0.39 -0.45 -0.55 8.42 7.97 1n7pA1 LYS 310 HA 0.22 0.04 0.28 -0.75 4.32 4.11 1n7pA1 LYS 310 HB2 0.10 -0.09 0.07 -0.04 1.87 1.91 1n7pA1 LYS 310 HB3 0.11 0.16 0.13 -0.04 1.79 2.15 1n7pA1 LYS 310 HG2 0.10 0.19 0.04 -0.04 1.46 1.75 1n7pA1 LYS 310 HG3 0.07 -0.07 -0.12 -0.04 1.46 1.30 1n7pA1 LYS 310 HD2 0.08 -0.13 -0.00 -0.04 1.69 1.60 1n7pA1 LYS 310 HD3 0.10 -0.00 0.04 -0.04 1.68 1.77 1n7pA1 LYS 310 HE2 0.09 -0.03 0.01 -0.04 2.99 3.02 1n7pA1 LYS 310 HE3 0.10 0.17 -0.06 -0.04 2.99 3.16 1n7pA1 GLU 311 H 0.05 0.13 -0.32 -0.55 8.60 7.92 1n7pA1 GLU 311 HA -0.05 0.14 0.62 -0.75 4.29 4.24 1n7pA1 GLU 311 HB2 -0.27 0.03 -0.01 -0.04 2.09 1.80 1n7pA1 GLU 311 HB3 -0.29 -0.00 0.11 -0.04 1.99 1.77 1n7pA1 GLU 311 HG2 -0.04 0.01 -0.00 -0.04 2.34 2.27 1n7pA1 GLU 311 HG3 -0.01 -0.02 -0.01 -0.04 2.34 2.26 1n7pA1 TYR 312 H 0.18 0.51 -0.34 -0.55 8.29 8.08 1n7pA1 TYR 312 HA -0.06 0.15 0.81 -0.75 4.56 4.71 1n7pA1 TYR 312 HB2 -0.08 0.14 0.02 -0.04 3.06 3.10 1n7pA1 TYR 312 HB3 -0.23 -0.07 0.11 -0.04 2.98 2.74 1n7pA1 TYR 312 HD2 -0.02 0.00 -0.03 -0.04 7.15 7.07 1n7pA1 TYR 312 HE2 -0.03 0.02 -0.07 -0.04 6.85 6.73 1n7pA1 PHE 313 H 0.25 0.31 -0.08 -0.55 8.34 8.28 1n7pA1 PHE 313 HA 0.11 0.09 0.83 -0.75 4.62 4.90 1n7pA1 PHE 313 HB2 0.10 0.07 0.02 -0.04 3.15 3.31 1n7pA1 PHE 313 HB3 0.11 -0.01 -0.02 -0.04 3.06 3.11 1n7pA1 PHE 313 HD2 0.16 0.07 -0.09 -0.04 7.28 7.38 1n7pA1 PHE 313 HE2 0.05 0.00 -0.08 -0.04 7.38 7.30 1n7pA1 PHE 313 HZ -0.04 0.01 -0.23 -0.04 7.32 7.01 1n7pA1 SER 314 H 0.22 0.06 0.14 -0.55 8.46 8.34 1n7pA1 SER 314 HA 0.09 0.27 0.79 -0.75 4.49 4.89 1n7pA1 SER 314 HB2 0.06 -0.04 0.16 -0.04 3.95 4.08 1n7pA1 SER 314 HB3 0.07 0.14 0.10 -0.04 3.93 4.20 1n7pA1 ASP 315 H 0.06 0.24 0.18 -0.55 8.40 8.33 1n7pA1 ASP 315 HA 0.04 0.18 0.51 -0.75 4.63 4.61 1n7pA1 ASP 315 HB2 0.02 -0.04 0.15 -0.04 2.71 2.81 1n7pA1 ASP 315 HB3 0.01 0.06 0.07 -0.04 2.70 2.80 1n7pA1 GLU 316 H 0.03 0.09 -0.17 -0.55 8.60 8.00 1n7pA1 GLU 316 HA -0.02 0.13 0.37 -0.75 4.29 4.02 1n7pA1 GLU 316 HB2 0.01 -0.03 0.04 -0.04 2.09 2.07 1n7pA1 GLU 316 HB3 -0.02 0.06 -0.01 -0.04 1.99 1.97 1n7pA1 GLU 316 HG2 -0.00 0.05 0.02 -0.04 2.34 2.37 1n7pA1 GLU 316 HG3 -0.01 0.05 0.02 -0.04 2.34 2.36 1n7pA1 GLU 317 H 0.07 0.07 -0.19 -0.55 8.60 8.01 1n7pA1 GLU 317 HA -0.15 0.10 0.63 -0.75 4.29 4.11 1n7pA1 GLU 317 HB2 0.30 -0.00 0.15 -0.04 2.09 2.49 1n7pA1 GLU 317 HB3 0.48 0.07 0.00 -0.04 1.99 2.50 1n7pA1 GLU 317 HG2 0.11 0.05 0.05 -0.04 2.34 2.51 1n7pA1 GLU 317 HG3 0.08 -0.07 0.03 -0.04 2.34 2.33 1n7pA1 ILE 318 H 0.06 0.34 -0.33 -0.55 8.25 7.77 1n7pA1 ILE 318 HA 0.02 0.04 0.33 -0.75 4.18 3.82 1n7pA1 ILE 318 HB 0.03 0.08 0.15 -0.04 1.89 2.11 1n7pA1 ILE 318 HG12 -0.07 -0.04 -0.07 -0.04 1.49 1.27 1n7pA1 ILE 318 HG13 0.08 -0.03 -0.10 -0.04 1.21 1.12 1n7pA1 ILE 318 HG23 -0.01 0.01 -0.19 -0.04 0.93 0.70 1n7pA1 ILE 318 HD13 0.09 -0.00 -0.15 -0.04 0.88 0.78 1n7pA1 LYS 319 H -0.02 0.59 -0.03 -0.55 8.42 8.41 1n7pA1 LYS 319 HA -0.03 0.04 0.44 -0.75 4.32 4.02 1n7pA1 LYS 319 HB2 -0.04 0.08 0.20 -0.04 1.87 2.07 1n7pA1 LYS 319 HB3 -0.05 0.00 -0.03 -0.04 1.79 1.67 1n7pA1 LYS 319 HG2 -0.04 -0.03 0.03 -0.04 1.46 1.38 1n7pA1 LYS 319 HG3 -0.04 0.06 0.04 -0.04 1.46 1.48 1n7pA1 LYS 319 HD2 -0.03 0.01 -0.01 -0.04 1.69 1.62 1n7pA1 LYS 319 HD3 -0.03 -0.04 -0.00 -0.04 1.68 1.57 1n7pA1 LYS 319 HE2 -0.03 -0.00 -0.00 -0.04 2.99 2.92 1n7pA1 LYS 319 HE3 -0.03 -0.02 -0.01 -0.04 2.99 2.88 1n7pA1 LYS 320 H -0.13 0.39 -0.35 -0.55 8.42 7.77 1n7pA1 LYS 320 HA -0.14 -0.01 0.33 -0.75 4.32 3.75 1n7pA1 LYS 320 HB2 -0.23 0.01 0.15 -0.04 1.87 1.76 1n7pA1 LYS 320 HB3 -0.45 0.07 0.25 -0.04 1.79 1.62 1n7pA1 LYS 320 HG2 -1.02 0.04 -0.20 -0.04 1.46 0.24 1n7pA1 LYS 320 HG3 -0.38 -0.05 0.03 -0.04 1.46 1.01 1n7pA1 LYS 320 HD2 -0.25 -0.03 -0.00 -0.04 1.69 1.37 1n7pA1 LYS 320 HD3 -0.39 -0.03 0.02 -0.04 1.68 1.24 1n7pA1 LYS 320 HE2 -1.06 0.04 -0.04 -0.04 2.99 1.89 1n7pA1 LYS 320 HE3 -0.42 0.01 -0.03 -0.04 2.99 2.51 1n7pA1 TYR 321 H -0.14 0.50 -0.20 -0.55 8.29 7.91 1n7pA1 TYR 321 HA 0.01 0.09 0.49 -0.75 4.56 4.38 1n7pA1 TYR 321 HB2 -0.09 0.08 0.05 -0.04 3.06 3.05 1n7pA1 TYR 321 HB3 0.00 -0.05 0.07 -0.04 2.98 2.96 1n7pA1 TYR 321 HD2 -0.06 0.03 -0.07 -0.04 7.15 7.01 1n7pA1 TYR 321 HE2 0.11 -0.02 -0.13 -0.04 6.85 6.77 1n7pA1 THR 322 H 0.03 0.38 -0.37 -0.55 8.28 7.78 1n7pA1 THR 322 HA 0.07 0.12 0.89 -0.75 4.39 4.72 1n7pA1 THR 322 HB 0.01 -0.11 0.11 -0.04 4.32 4.29 1n7pA1 THR 322 HG23 0.01 0.00 -0.08 -0.04 1.22 1.12 1n7pA1 ASP 323 H 0.01 0.40 -0.18 -0.55 8.40 8.09 1n7pA1 ASP 323 HA -0.01 0.04 0.40 -0.75 4.63 4.30 1n7pA1 ASP 323 HB2 0.01 0.17 0.18 -0.04 2.71 3.02 1n7pA1 ASP 323 HB3 -0.02 -0.07 0.01 -0.04 2.70 2.59 1n7pA1 VAL 324 H 0.04 0.25 -0.28 -0.55 8.24 7.70 1n7pA1 VAL 324 HA -0.10 0.01 0.32 -0.75 4.13 3.61 1n7pA1 VAL 324 HB -0.07 -0.05 0.00 -0.04 2.12 1.96 1n7pA1 VAL 324 HG13 0.10 0.05 -0.16 -0.04 0.97 0.93 1n7pA1 VAL 324 HG23 -0.52 0.02 -0.37 -0.04 0.95 0.04 1n7pA1 ILE 325 H 0.07 0.24 -0.46 -0.55 8.25 7.56 1n7pA1 ILE 325 HA 0.21 0.07 0.51 -0.75 4.18 4.21 1n7pA1 ILE 325 HB 0.06 0.22 0.12 -0.04 1.89 2.25 1n7pA1 ILE 325 HG12 0.15 -0.04 0.02 -0.04 1.49 1.57 1n7pA1 ILE 325 HG13 0.14 -0.04 0.01 -0.04 1.21 1.29 1n7pA1 ILE 325 HG23 0.08 0.01 -0.12 -0.04 0.93 0.86 1n7pA1 ILE 325 HD13 0.04 -0.00 0.06 -0.04 0.88 0.94 1n7pA1 GLU 326 H 0.02 0.39 -0.16 -0.55 8.60 8.30 1n7pA1 GLU 326 HA 0.02 0.14 0.27 -0.75 4.29 3.96 1n7pA1 GLU 326 HB2 -0.02 0.12 0.09 -0.04 2.09 2.24 1n7pA1 GLU 326 HB3 -0.02 -0.05 0.03 -0.04 1.99 1.92 1n7pA1 GLU 326 HG2 -0.00 0.14 0.00 -0.04 2.34 2.44 1n7pA1 GLU 326 HG3 -0.02 -0.06 -0.02 -0.04 2.34 2.20 1n7pA1 LYS 327 H -0.05 0.24 -0.35 -0.55 8.42 7.71 1n7pA1 LYS 327 HA -0.12 0.05 0.46 -0.75 4.32 3.96 1n7pA1 LYS 327 HB2 -0.18 -0.07 0.07 -0.04 1.87 1.65 1n7pA1 LYS 327 HB3 -0.34 0.08 0.11 -0.04 1.79 1.59 1n7pA1 LYS 327 HG2 -0.28 -0.05 0.04 -0.04 1.46 1.14 1n7pA1 LYS 327 HG3 -0.30 0.05 0.10 -0.04 1.46 1.27 1n7pA1 LYS 327 HD2 -1.07 0.02 -0.02 -0.04 1.69 0.58 1n7pA1 LYS 327 HD3 -1.42 -0.03 -0.44 -0.04 1.68 -0.25 1n7pA1 LYS 327 HE2 -0.68 -0.15 -0.03 -0.04 2.99 2.09 1n7pA1 LYS 327 HE3 -0.33 -0.10 -0.02 -0.04 2.99 2.49 1n7pA1 PHE 328 H 0.09 0.39 -0.18 -0.55 8.34 8.09 1n7pA1 PHE 328 HA 0.08 0.05 0.54 -0.75 4.62 4.53 1n7pA1 PHE 328 HB2 0.15 0.16 0.10 -0.04 3.15 3.52 1n7pA1 PHE 328 HB3 0.22 -0.16 -0.06 -0.04 3.06 3.02 1n7pA1 PHE 328 HD2 0.03 0.02 -0.04 -0.04 7.28 7.25 1n7pA1 PHE 328 HE2 -0.12 -0.12 -0.14 -0.04 7.38 6.96 1n7pA1 PHE 328 HZ 0.16 -0.03 -0.47 -0.04 7.32 6.94 1n7pA1 VAL 329 H 0.14 0.42 -0.35 -0.55 8.24 7.90 1n7pA1 VAL 329 HA 0.12 0.05 0.83 -0.75 4.13 4.38 1n7pA1 VAL 329 HB 0.13 0.06 0.14 -0.04 2.12 2.41 1n7pA1 VAL 329 HG13 0.05 -0.02 -0.01 -0.04 0.97 0.96 1n7pA1 VAL 329 HG23 0.31 0.03 -0.12 -0.04 0.95 1.12 1n7pA1 PRO 330 HA -0.00 0.09 0.64 -0.51 4.44 4.66 1n7pA1 PRO 330 HB2 -0.02 -0.08 0.00 -0.04 2.28 2.14 1n7pA1 PRO 330 HB3 -0.02 0.20 0.12 -0.04 2.02 2.28 1n7pA1 PRO 330 HG2 -0.02 -0.06 -0.00 -0.04 2.03 1.91 1n7pA1 PRO 330 HG3 -0.02 0.07 -0.02 -0.04 2.03 2.02 1n7pA1 PRO 330 HD2 0.04 0.03 -0.06 -0.04 3.68 3.65 1n7pA1 PRO 330 HD3 0.03 0.27 -0.46 -0.04 3.65 3.46 1n7pA1 ASP 331 H -0.02 0.19 -0.21 -0.55 8.40 7.81 1n7pA1 ASP 331 HA -0.02 0.21 0.72 -0.75 4.63 4.79 1n7pA1 ASP 331 HB2 -0.03 0.06 -0.09 -0.04 2.71 2.61 1n7pA1 ASP 331 HB3 -0.01 0.04 0.14 -0.04 2.70 2.82 1n7pA1 PRO 332 HA -0.12 0.11 0.30 -0.51 4.44 4.22 1n7pA1 PRO 332 HB2 -0.04 0.06 0.01 -0.04 2.28 2.27 1n7pA1 PRO 332 HB3 -0.04 0.02 0.03 -0.04 2.02 1.99 1n7pA1 PRO 332 HG2 -0.02 0.04 -0.08 -0.04 2.03 1.94 1n7pA1 PRO 332 HG3 -0.02 -0.00 -0.16 -0.04 2.03 1.81 1n7pA1 PRO 332 HD2 -0.01 0.06 0.21 -0.04 3.68 3.90 1n7pA1 PRO 332 HD3 -0.02 0.30 0.16 -0.04 3.65 4.04 1n7pA1 GLU 333 H 0.00 0.03 -0.50 -0.55 8.60 7.59 1n7pA1 GLU 333 HA -0.12 0.23 0.89 -0.75 4.29 4.54 1n7pA1 GLU 333 HB2 0.15 -0.00 0.01 -0.04 2.09 2.20 1n7pA1 GLU 333 HB3 -0.10 -0.01 0.12 -0.04 1.99 1.96 1n7pA1 GLU 333 HG2 -0.03 0.07 -0.09 -0.04 2.34 2.26 1n7pA1 GLU 333 HG3 0.01 -0.03 -0.08 -0.04 2.34 2.20 1n7pA1 HIS 334 H -0.06 0.52 -0.03 -0.55 8.41 8.30 1n7pA1 HIS 334 HA -0.12 0.17 1.07 -0.75 4.63 5.00 1n7pA1 HIS 334 HB2 -0.09 -0.05 0.01 -0.04 3.26 3.10 1n7pA1 HIS 334 HB3 -0.08 0.09 -0.04 -0.04 3.20 3.13 1n7pA1 HIS 334 HD2 -0.06 -0.01 -0.36 -0.04 6.97 6.49 1n7pA1 HIS 334 HE1 -0.04 -0.01 -0.10 -0.04 7.75 7.56 1n7pA1 PHE 335 H -0.00 0.37 0.19 -0.55 8.34 8.34 1n7pA1 PHE 335 HA 0.04 0.24 0.80 -0.75 4.62 4.94 1n7pA1 PHE 335 HB2 -0.32 0.00 0.01 -0.04 3.15 2.81 1n7pA1 PHE 335 HB3 -0.38 -0.11 0.08 -0.04 3.06 2.60 1n7pA1 PHE 335 HD2 0.15 -0.02 -0.06 -0.04 7.28 7.31 1n7pA1 PHE 335 HE2 0.15 0.05 -0.27 -0.04 7.38 7.27 1n7pA1 PHE 335 HZ 0.12 0.02 -0.13 -0.04 7.32 7.29 1n7pA1 ARG 336 H 0.19 0.17 0.13 -0.55 8.46 8.39 1n7pA1 ARG 336 HA 0.05 0.00 0.30 -0.75 4.34 3.94 1n7pA1 ARG 336 HB2 -0.22 0.15 -0.05 -0.04 1.90 1.74 1n7pA1 ARG 336 HB3 -0.16 -0.00 0.09 -0.04 1.80 1.69 1n7pA1 ARG 336 HG2 -0.48 -0.05 0.03 -0.04 1.67 1.13 1n7pA1 ARG 336 HG3 -1.08 -0.06 -0.19 -0.04 1.67 0.30 1n7pA1 ARG 336 HD2 -0.36 0.03 0.01 -0.04 3.22 2.86 1n7pA1 ARG 336 HD3 -1.48 -0.12 -0.00 -0.04 3.22 1.58 1n7pA1 LYS 337 H 0.09 0.15 -0.23 -0.55 8.42 7.87 1n7pA1 LYS 337 HA -0.01 0.10 0.22 -0.75 4.32 3.87 1n7pA1 LYS 337 HB2 0.03 0.00 -0.03 -0.04 1.87 1.83 1n7pA1 LYS 337 HB3 0.04 0.12 -0.00 -0.04 1.79 1.91 1n7pA1 LYS 337 HG2 -0.03 -0.04 -0.02 -0.04 1.46 1.32 1n7pA1 LYS 337 HG3 -0.03 0.05 -0.06 -0.04 1.46 1.38 1n7pA1 LYS 337 HD2 -0.09 0.05 0.04 -0.04 1.69 1.66 1n7pA1 LYS 337 HD3 -0.08 -0.03 -0.04 -0.04 1.68 1.48 1n7pA1 LYS 337 HE2 -0.26 -0.00 -0.04 -0.04 2.99 2.65 1n7pA1 LYS 337 HE3 -0.20 -0.05 -0.04 -0.04 2.99 2.65 1n7pA1 THR 338 H 0.11 -0.00 -0.19 -0.55 8.28 7.64 1n7pA1 THR 338 HA 0.01 0.20 0.60 -0.75 4.39 4.44 1n7pA1 THR 338 HB 0.03 0.02 0.15 -0.04 4.32 4.48 1n7pA1 THR 338 HG23 0.01 0.01 0.03 -0.04 1.22 1.22 1n7pA1 THR 339 H 0.03 0.19 -0.46 -0.55 8.28 7.49 1n7pA1 THR 339 HA 0.01 0.13 0.76 -0.75 4.39 4.54 1n7pA1 THR 339 HB -0.01 -0.12 0.16 -0.04 4.32 4.31 1n7pA1 THR 339 HG23 0.03 -0.04 -0.01 -0.04 1.22 1.15 1n7pA1 ASP 340 H -0.01 0.07 0.13 -0.55 8.40 8.04 1n7pA1 ASP 340 HA -0.02 0.17 0.55 -0.75 4.63 4.58 1n7pA1 ASP 340 HB2 -0.01 -0.06 0.12 -0.04 2.71 2.72 1n7pA1 ASP 340 HB3 -0.02 0.02 0.06 -0.04 2.70 2.72 1n7pA1 ASN 341 H -0.04 -0.04 -0.30 -0.55 8.53 7.60 1n7pA1 ASN 341 HA -0.04 0.25 0.86 -0.75 4.76 5.09 1n7pA1 ASN 341 HB2 -0.06 -0.09 0.14 -0.04 2.88 2.83 1n7pA1 ASN 341 HB3 -0.05 0.05 0.06 -0.04 2.79 2.81 1n7pA1 ASN 341 HD21 -0.02 0.03 -0.07 -0.04 7.03 6.93 1n7pA1 ASN 341 HD22 -0.03 -0.06 -0.01 -0.04 7.74 7.60 1n7pA1 PRO 342 HA -0.06 0.05 0.39 -0.51 4.44 4.31 1n7pA1 PRO 342 HB2 0.06 -0.03 -0.13 -0.04 2.28 2.13 1n7pA1 PRO 342 HB3 -0.03 0.01 -0.15 -0.04 2.02 1.82 1n7pA1 PRO 342 HG2 -0.04 -0.04 -0.03 -0.04 2.03 1.88 1n7pA1 PRO 342 HG3 -0.08 0.07 -0.02 -0.04 2.03 1.96 1n7pA1 PRO 342 HD2 -0.04 0.17 0.06 -0.04 3.68 3.83 1n7pA1 PRO 342 HD3 -0.04 0.31 -0.22 -0.04 3.65 3.66 1n7pA1 VAL 343 H -0.04 0.61 0.23 -0.55 8.24 8.49 1n7pA1 VAL 343 HA -0.04 0.16 0.83 -0.75 4.13 4.32 1n7pA1 VAL 343 HB -0.17 0.09 -0.08 -0.04 2.12 1.92 1n7pA1 VAL 343 HG13 -0.29 -0.04 -0.12 -0.04 0.97 0.48 1n7pA1 VAL 343 HG23 -0.11 0.04 -0.03 -0.04 0.95 0.81 1n7pA1 LYS 344 H -0.08 0.12 0.12 -0.55 8.42 8.03 1n7pA1 LYS 344 HA -0.48 0.22 0.66 -0.75 4.32 3.97 1n7pA1 LYS 344 HB2 -0.15 0.02 0.10 -0.04 1.87 1.79 1n7pA1 LYS 344 HB3 -0.10 -0.09 0.13 -0.04 1.79 1.68 1n7pA1 LYS 344 HG2 -0.10 -0.06 -0.09 -0.04 1.46 1.17 1n7pA1 LYS 344 HG3 -0.15 0.15 -0.25 -0.04 1.46 1.16 1n7pA1 LYS 344 HD2 -0.30 0.12 0.08 -0.04 1.69 1.54 1n7pA1 LYS 344 HD3 -0.14 -0.05 0.02 -0.04 1.68 1.47 1n7pA1 LYS 344 HE2 -0.06 -0.04 0.00 -0.04 2.99 2.85 1n7pA1 LYS 344 HE3 -0.08 0.01 -0.01 -0.04 2.99 2.87 1n7pA1 ALA 345 H -0.25 0.72 0.27 -0.55 8.40 8.59 1n7pA1 ALA 345 HA 0.13 -0.06 0.51 -0.75 4.34 4.17 1n7pA1 ALA 345 HB3 -0.13 0.00 -0.18 -0.04 1.41 1.06 1n7pA1 LEU 346 H 0.05 0.18 0.20 -0.55 8.37 8.25 1n7pA1 LEU 346 HA -0.00 0.25 0.62 -0.75 4.35 4.46 1n7pA1 LEU 346 HB2 -0.05 -0.10 -0.04 -0.04 1.64 1.42 1n7pA1 LEU 346 HB3 -0.05 0.01 0.03 -0.04 1.64 1.59 1n7pA1 LEU 346 HG -0.06 -0.01 -0.55 -0.04 1.64 0.98 1n7pA1 LEU 346 HD13 -0.06 0.02 -0.02 -0.04 0.93 0.82 1n7pA1 LEU 346 HD23 -0.04 0.07 0.03 -0.04 0.89 0.91 1n7pA1 GLY 347 H -0.01 0.29 0.09 -0.55 8.43 8.25 1n7pA1 GLY 347 HA2 0.03 0.16 0.28 -0.51 4.01 3.97 1n7pA1 GLY 347 HA3 0.04 -0.00 0.28 -0.51 4.01 3.82 1n7pA1 GLY 348 H 0.11 0.13 0.13 -0.55 8.43 8.25 1n7pA1 GLY 348 HA2 0.01 0.08 0.41 -0.51 4.01 4.00 1n7pA1 GLY 348 HA3 0.09 0.09 0.38 -0.51 4.01 4.05 1n7pA1 ASN 349 H 0.09 0.16 -0.11 -0.55 8.53 8.12 1n7pA1 ASN 349 HA 0.10 0.04 0.34 -0.75 4.76 4.49 1n7pA1 ASN 349 HB2 0.16 0.16 0.08 -0.04 2.88 3.23 1n7pA1 ASN 349 HB3 0.12 0.03 -0.04 -0.04 2.79 2.86 1n7pA1 ASN 349 HD21 0.25 -0.03 -0.00 -0.04 7.03 7.21 1n7pA1 ASN 349 HD22 0.15 0.06 0.00 -0.04 7.74 7.92 1n7pA1 LEU 350 H 0.13 0.29 -0.70 -0.55 8.37 7.54 1n7pA1 LEU 350 HA 0.18 0.10 0.37 -0.75 4.35 4.24 1n7pA1 LEU 350 HB2 0.06 -0.03 -0.58 -0.04 1.64 1.05 1n7pA1 LEU 350 HB3 0.05 0.04 -0.24 -0.04 1.64 1.44 1n7pA1 LEU 350 HG 0.02 -0.02 -0.23 -0.04 1.64 1.37 1n7pA1 LEU 350 HD13 -0.01 0.01 -0.12 -0.04 0.93 0.77 1n7pA1 LEU 350 HD23 -0.00 0.07 -0.01 -0.04 0.89 0.90 1n7pA1 VAL 351 H 0.07 0.32 -0.27 -0.55 8.24 7.81 1n7pA1 VAL 351 HA 0.05 0.12 0.63 -0.75 4.13 4.18 1n7pA1 VAL 351 HB 0.05 0.08 0.12 -0.04 2.12 2.33 1n7pA1 VAL 351 HG13 0.07 0.01 -0.17 -0.04 0.97 0.84 1n7pA1 VAL 351 HG23 0.03 0.04 0.02 -0.04 0.95 0.99 1n7pA1 ASP 352 H 0.12 0.41 -0.15 -0.55 8.40 8.23 1n7pA1 ASP 352 HA 0.10 0.02 0.38 -0.75 4.63 4.38 1n7pA1 ASP 352 HB2 0.11 0.04 0.13 -0.04 2.71 2.95 1n7pA1 ASP 352 HB3 0.11 -0.01 -0.05 -0.04 2.70 2.71 1n7pA1 MET 353 H 0.28 0.38 -0.33 -0.55 8.47 8.24 1n7pA1 MET 353 HA 0.23 0.05 0.50 -0.75 4.52 4.54 1n7pA1 MET 353 HB2 0.02 -0.03 0.05 -0.04 2.15 2.15 1n7pA1 MET 353 HB3 0.04 0.27 0.07 -0.04 2.03 2.37 1n7pA1 MET 353 HG2 -0.15 0.29 0.04 -0.04 2.63 2.77 1n7pA1 MET 353 HG3 -0.05 -0.09 -0.12 -0.04 2.56 2.26 1n7pA1 MET 353 HE3 -1.12 -0.01 -0.19 -0.04 2.10 0.74 1n7pA1 GLY 354 H 0.07 0.39 -0.45 -0.55 8.43 7.89 1n7pA1 GLY 354 HA2 -0.01 0.00 0.49 -0.51 4.01 3.98 1n7pA1 GLY 354 HA3 0.02 0.12 0.28 -0.51 4.01 3.91 1n7pA1 ARG 355 H 0.06 0.36 -0.09 -0.55 8.46 8.23 1n7pA1 ARG 355 HA -0.12 0.04 0.45 -0.75 4.34 3.95 1n7pA1 ARG 355 HB2 0.10 0.04 0.08 -0.04 1.90 2.08 1n7pA1 ARG 355 HB3 0.17 -0.01 0.05 -0.04 1.80 1.96 1n7pA1 ARG 355 HG2 0.17 0.00 -0.04 -0.04 1.67 1.76 1n7pA1 ARG 355 HG3 0.11 0.09 -0.06 -0.04 1.67 1.77 1n7pA1 ARG 355 HD2 0.33 0.01 -0.02 -0.04 3.22 3.49 1n7pA1 ARG 355 HD3 0.24 0.05 0.00 -0.04 3.22 3.47 1n7pA1 VAL 356 H 0.06 0.33 -0.43 -0.55 8.24 7.64 1n7pA1 VAL 356 HA 0.03 0.10 0.65 -0.75 4.13 4.15 1n7pA1 VAL 356 HB 0.11 0.06 0.19 -0.04 2.12 2.44 1n7pA1 VAL 356 HG13 0.10 -0.00 -0.13 -0.04 0.97 0.89 1n7pA1 VAL 356 HG23 0.13 0.06 0.04 -0.04 0.95 1.14 1n7pA1 LYS 357 H 0.01 0.68 0.09 -0.55 8.42 8.64 1n7pA1 LYS 357 HA -0.02 0.08 0.50 -0.75 4.32 4.13 1n7pA1 LYS 357 HB2 -0.02 0.15 0.11 -0.04 1.87 2.07 1n7pA1 LYS 357 HB3 -0.02 -0.04 0.00 -0.04 1.79 1.69 1n7pA1 LYS 357 HG2 0.01 0.01 -0.09 -0.04 1.46 1.35 1n7pA1 LYS 357 HG3 0.02 -0.01 -0.02 -0.04 1.46 1.41 1n7pA1 LYS 357 HD2 -0.01 0.13 -0.23 -0.04 1.69 1.53 1n7pA1 LYS 357 HD3 -0.04 -0.08 -0.15 -0.04 1.68 1.37 1n7pA1 LYS 357 HE2 -0.02 -0.01 -0.23 -0.04 2.99 2.69 1n7pA1 LYS 357 HE3 -0.02 -0.11 -0.04 -0.04 2.99 2.77 1n7pA1 VAL 358 H -0.07 0.52 0.05 -0.55 8.24 8.20 1n7pA1 VAL 358 HA -0.07 0.06 0.57 -0.75 4.13 3.94 1n7pA1 VAL 358 HB -0.17 0.21 0.09 -0.04 2.12 2.21 1n7pA1 VAL 358 HG13 -0.11 -0.02 -0.13 -0.04 0.97 0.66 1n7pA1 VAL 358 HG23 -0.04 -0.00 0.04 -0.04 0.95 0.90 1n7pA1 ILE 359 H -0.21 0.26 -0.34 -0.55 8.25 7.40 1n7pA1 ILE 359 HA -0.31 0.05 0.40 -0.75 4.18 3.57 1n7pA1 ILE 359 HB -0.21 0.21 0.02 -0.04 1.89 1.87 1n7pA1 ILE 359 HG12 -0.64 0.04 0.01 -0.04 1.49 0.86 1n7pA1 ILE 359 HG13 -1.17 0.02 -0.01 -0.04 1.21 0.01 1n7pA1 ILE 359 HG23 -0.19 -0.02 -0.13 -0.04 0.93 0.55 1n7pA1 ILE 359 HD13 -1.30 -0.03 -0.16 -0.04 0.88 -0.64 1n7pA1 ALA 360 H -0.08 0.54 -0.14 -0.55 8.40 8.18 1n7pA1 ALA 360 HA -0.04 0.02 0.39 -0.75 4.34 3.96 1n7pA1 ALA 360 HB3 -0.01 0.03 0.08 -0.04 1.41 1.46 1n7pA1 GLY 361 H -0.07 0.51 -0.45 -0.55 8.43 7.88 1n7pA1 GLY 361 HA2 -0.08 -0.05 0.36 -0.51 4.01 3.74 1n7pA1 GLY 361 HA3 -0.06 0.11 0.23 -0.51 4.01 3.78 1n7pA1 LEU 362 H -0.09 0.48 -0.34 -0.55 8.37 7.88 1n7pA1 LEU 362 HA -0.04 -0.05 0.61 -0.75 4.35 4.12 1n7pA1 LEU 362 HB2 -0.08 0.17 0.16 -0.04 1.64 1.86 1n7pA1 LEU 362 HB3 0.03 -0.03 -0.02 -0.04 1.64 1.58 1n7pA1 LEU 362 HG -0.04 0.19 0.05 -0.04 1.64 1.80 1n7pA1 LEU 362 HD13 -0.11 -0.03 -0.13 -0.04 0.93 0.62 1n7pA1 LEU 362 HD23 0.13 -0.02 0.03 -0.04 0.89 0.99 1n7pA1 LEU 363 H -0.06 0.60 -0.07 -0.55 8.37 8.29 1n7pA1 LEU 363 HA -0.01 0.02 0.43 -0.75 4.35 4.03 1n7pA1 LEU 363 HB2 -0.04 0.11 0.13 -0.04 1.64 1.81 1n7pA1 LEU 363 HB3 -0.02 -0.05 -0.06 -0.04 1.64 1.48 1n7pA1 LEU 363 HG -0.02 0.04 -0.02 -0.04 1.64 1.61 1n7pA1 LEU 363 HD13 -0.01 0.03 -0.06 -0.04 0.93 0.85 1n7pA1 LEU 363 HD23 0.03 -0.02 -0.16 -0.04 0.89 0.69 1n7pA1 ARG 364 H -0.10 0.47 -0.25 -0.55 8.46 8.03 1n7pA1 ARG 364 HA -0.08 0.08 0.39 -0.75 4.34 3.98 1n7pA1 ARG 364 HB2 -0.09 0.00 0.02 -0.04 1.90 1.79 1n7pA1 ARG 364 HB3 -0.07 -0.07 0.06 -0.04 1.80 1.67 1n7pA1 ARG 364 HG2 -0.04 -0.04 -0.08 -0.04 1.67 1.47 1n7pA1 ARG 364 HG3 -0.05 0.11 -0.02 -0.04 1.67 1.67 1n7pA1 ARG 364 HD2 -0.02 0.00 -0.10 -0.04 3.22 3.06 1n7pA1 ARG 364 HD3 -0.04 -0.03 -0.19 -0.04 3.22 2.92 1n7pA1 LYS 365 H -0.29 0.24 -0.64 -0.55 8.42 7.17 1n7pA1 LYS 365 HA -1.27 -0.00 0.28 -0.75 4.32 2.57 1n7pA1 LYS 365 HB2 -0.21 0.15 0.03 -0.04 1.87 1.80 1n7pA1 LYS 365 HB3 -0.45 -0.11 0.18 -0.04 1.79 1.37 1n7pA1 LYS 365 HG2 -0.28 0.01 -0.02 -0.04 1.46 1.13 1n7pA1 LYS 365 HG3 -0.14 0.14 -0.31 -0.04 1.46 1.11 1n7pA1 LYS 365 HD2 -0.01 0.01 -0.02 -0.04 1.69 1.63 1n7pA1 LYS 365 HD3 0.14 -0.10 0.02 -0.04 1.68 1.69 1n7pA1 LYS 365 HE2 0.02 0.11 0.00 -0.04 2.99 3.08 1n7pA1 LYS 365 HE3 0.05 -0.02 0.02 -0.04 2.99 2.99 1n7pA1 ASP 366 H -0.26 0.68 -0.01 -0.55 8.40 8.27 1n7pA1 ASP 366 HA -0.10 0.12 0.66 -0.75 4.63 4.56 1n7pA1 ASP 366 HB2 -0.09 0.18 -0.15 -0.04 2.71 2.61 1n7pA1 ASP 366 HB3 -0.08 -0.00 0.14 -0.04 2.70 2.72 1n7pA1 ASP 367 H -0.01 0.29 0.19 -0.55 8.40 8.32 1n7pA1 ASP 367 HA 0.06 0.08 0.33 -0.75 4.63 4.34 1n7pA1 ASP 367 HB2 0.04 0.02 0.10 -0.04 2.71 2.82 1n7pA1 ASP 367 HB3 0.05 0.02 0.03 -0.04 2.70 2.77 1n7pA1 GLN 368 H -0.01 0.12 -0.10 -0.55 8.47 7.94 1n7pA1 GLN 368 HA 0.00 0.10 0.49 -0.75 4.36 4.20 1n7pA1 GLN 368 HB2 -0.01 -0.00 0.10 -0.04 2.15 2.20 1n7pA1 GLN 368 HB3 -0.01 0.06 0.00 -0.04 2.02 2.02 1n7pA1 GLN 368 HG2 -0.00 -0.00 0.06 -0.04 2.40 2.41 1n7pA1 GLN 368 HG3 -0.01 0.04 0.01 -0.04 2.39 2.39 1n7pA1 GLN 368 HE21 -0.01 0.06 -0.10 -0.04 6.97 6.88 1n7pA1 GLN 368 HE22 -0.01 -0.00 -0.13 -0.04 7.69 7.50 1n7pA1 GLU 369 H -0.02 0.09 -0.24 -0.55 8.60 7.88 1n7pA1 GLU 369 HA -0.02 0.10 0.42 -0.75 4.29 4.04 1n7pA1 GLU 369 HB2 -0.03 -0.05 0.08 -0.04 2.09 2.05 1n7pA1 GLU 369 HB3 -0.04 0.07 0.08 -0.04 1.99 2.06 1n7pA1 GLU 369 HG2 -0.03 -0.00 -0.03 -0.04 2.34 2.24 1n7pA1 GLU 369 HG3 -0.02 0.05 0.03 -0.04 2.34 2.35 1n7pA1 ILE 370 H -0.01 0.37 -0.17 -0.55 8.25 7.89 1n7pA1 ILE 370 HA -0.02 0.07 0.40 -0.75 4.18 3.88 1n7pA1 ILE 370 HB 0.03 0.04 0.16 -0.04 1.89 2.07 1n7pA1 ILE 370 HG12 -0.01 0.05 -0.04 -0.04 1.49 1.46 1n7pA1 ILE 370 HG13 -0.02 0.07 -0.04 -0.04 1.21 1.17 1n7pA1 ILE 370 HG23 0.03 -0.01 -0.12 -0.04 0.93 0.79 1n7pA1 ILE 370 HD13 0.10 -0.03 -0.21 -0.04 0.88 0.70 1n7pA1 SER 371 H 0.01 0.53 -0.07 -0.55 8.46 8.39 1n7pA1 SER 371 HA 0.02 0.05 0.33 -0.75 4.49 4.13 1n7pA1 SER 371 HB2 0.01 -0.01 0.01 -0.04 3.95 3.92 1n7pA1 SER 371 HB3 0.02 -0.01 0.09 -0.04 3.93 3.99 1n7pA1 SER 372 H 0.00 0.61 -0.10 -0.55 8.46 8.43 1n7pA1 SER 372 HA 0.01 0.01 0.44 -0.75 4.49 4.19 1n7pA1 SER 372 HB2 -0.00 -0.06 0.07 -0.04 3.95 3.92 1n7pA1 SER 372 HB3 -0.00 -0.02 0.13 -0.04 3.93 4.00 1n7pA1 THR 373 H -0.01 0.47 -0.33 -0.55 8.28 7.87 1n7pA1 THR 373 HA -0.01 0.03 0.48 -0.75 4.39 4.13 1n7pA1 THR 373 HB -0.01 0.14 0.09 -0.04 4.32 4.50 1n7pA1 THR 373 HG23 -0.02 -0.05 -0.10 -0.04 1.22 1.01 1n7pA1 ILE 374 H 0.01 0.50 -0.09 -0.55 8.25 8.12 1n7pA1 ILE 374 HA 0.04 -0.01 0.44 -0.75 4.18 3.90 1n7pA1 ILE 374 HB 0.03 0.06 0.17 -0.04 1.89 2.11 1n7pA1 ILE 374 HG12 0.03 -0.08 0.02 -0.04 1.49 1.42 1n7pA1 ILE 374 HG13 0.01 0.03 0.06 -0.04 1.21 1.28 1n7pA1 ILE 374 HG23 0.05 0.06 -0.14 -0.04 0.93 0.86 1n7pA1 ILE 374 HD13 0.02 0.03 -0.05 -0.04 0.88 0.84 1n7pA1 ARG 375 H 0.02 0.60 -0.07 -0.55 8.46 8.46 1n7pA1 ARG 375 HA 0.05 -0.01 0.39 -0.75 4.34 4.01 1n7pA1 ARG 375 HB2 0.02 0.20 0.17 -0.04 1.90 2.25 1n7pA1 ARG 375 HB3 0.02 0.02 -0.02 -0.04 1.80 1.78 1n7pA1 ARG 375 HG2 0.02 -0.03 0.00 -0.04 1.67 1.63 1n7pA1 ARG 375 HG3 0.03 -0.03 0.05 -0.04 1.67 1.68 1n7pA1 ARG 375 HD2 0.01 0.02 -0.02 -0.04 3.22 3.19 1n7pA1 ARG 375 HD3 0.02 -0.04 -0.01 -0.04 3.22 3.15 1n7pA1 SER 376 H 0.01 0.45 -0.33 -0.55 8.46 8.04 1n7pA1 SER 376 HA 0.01 -0.01 0.41 -0.75 4.49 4.13 1n7pA1 SER 376 HB2 -0.01 -0.06 -0.01 -0.04 3.95 3.83 1n7pA1 SER 376 HB3 -0.02 0.12 0.12 -0.04 3.93 4.11 1n7pA1 ILE 377 H 0.03 0.50 -0.18 -0.55 8.25 8.05 1n7pA1 ILE 377 HA 0.01 0.00 0.33 -0.75 4.18 3.77 1n7pA1 ILE 377 HB 0.06 0.19 0.21 -0.04 1.89 2.30 1n7pA1 ILE 377 HG12 0.03 0.01 0.06 -0.04 1.49 1.55 1n7pA1 ILE 377 HG13 0.02 0.16 0.06 -0.04 1.21 1.40 1n7pA1 ILE 377 HG23 0.05 -0.04 -0.17 -0.04 0.93 0.72 1n7pA1 ILE 377 HD13 0.03 -0.07 -0.01 -0.04 0.88 0.79 1n7pA1 GLU 378 H 0.09 0.49 -0.31 -0.55 8.60 8.32 1n7pA1 GLU 378 HA 0.34 -0.03 0.33 -0.75 4.29 4.17 1n7pA1 GLU 378 HB2 0.11 0.26 0.09 -0.04 2.09 2.50 1n7pA1 GLU 378 HB3 0.19 -0.09 0.04 -0.04 1.99 2.09 1n7pA1 GLU 378 HG2 0.24 -0.11 0.01 -0.04 2.34 2.44 1n7pA1 GLU 378 HG3 0.15 0.22 0.00 -0.04 2.34 2.68 1n7pA1 GLN 379 H 0.05 0.47 -0.43 -0.55 8.47 8.01 1n7pA1 GLN 379 HA 0.07 0.02 0.54 -0.75 4.36 4.24 1n7pA1 GLN 379 HB2 0.02 0.02 0.15 -0.04 2.15 2.29 1n7pA1 GLN 379 HB3 0.01 0.16 0.11 -0.04 2.02 2.26 1n7pA1 GLN 379 HG2 0.01 -0.06 -0.08 -0.04 2.40 2.23 1n7pA1 GLN 379 HG3 0.02 -0.04 0.12 -0.04 2.39 2.45 1n7pA1 GLN 379 HE21 -0.03 -0.03 0.02 -0.04 6.97 6.89 1n7pA1 GLN 379 HE22 -0.01 -0.01 0.03 -0.04 7.69 7.65 1n7pA1 VAL 380 H -0.03 0.65 -0.20 -0.55 8.24 8.11 1n7pA1 VAL 380 HA 0.04 -0.04 0.41 -0.75 4.13 3.78 1n7pA1 VAL 380 HB -0.08 0.10 0.11 -0.04 2.12 2.22 1n7pA1 VAL 380 HG13 -0.56 0.01 -0.14 -0.04 0.97 0.24 1n7pA1 VAL 380 HG23 -0.03 -0.06 -0.01 -0.04 0.95 0.81 1n7pA1 PHE 381 H 0.11 0.38 -0.42 -0.55 8.34 7.85 1n7pA1 PHE 381 HA 0.39 0.02 0.41 -0.75 4.62 4.69 1n7pA1 PHE 381 HB2 0.07 0.10 0.06 -0.04 3.15 3.33 1n7pA1 PHE 381 HB3 0.00 0.11 0.17 -0.04 3.06 3.31 1n7pA1 PHE 381 HD2 -0.10 0.01 -0.01 -0.04 7.28 7.14 1n7pA1 PHE 381 HE2 -0.06 -0.01 -0.08 -0.04 7.38 7.20 1n7pA1 PHE 381 HZ 0.04 0.01 -0.08 -0.04 7.32 7.24 1n7pA1 LYS 382 H 0.19 0.41 -0.38 -0.55 8.42 8.09 1n7pA1 LYS 382 HA 0.13 0.02 0.76 -0.75 4.32 4.48 1n7pA1 LYS 382 HB2 0.08 0.07 0.13 -0.04 1.87 2.11 1n7pA1 LYS 382 HB3 0.06 0.04 0.04 -0.04 1.79 1.89 1n7pA1 LYS 382 HG2 0.12 -0.05 -0.10 -0.04 1.46 1.39 1n7pA1 LYS 382 HG3 0.09 0.03 0.08 -0.04 1.46 1.62 1n7pA1 LYS 382 HD2 0.04 0.01 0.02 -0.04 1.69 1.72 1n7pA1 LYS 382 HD3 0.05 -0.03 0.01 -0.04 1.68 1.67 1n7pA1 LYS 382 HE2 0.06 0.01 -0.02 -0.04 2.99 2.99 1n7pA1 LYS 382 HE3 0.04 0.00 0.01 -0.04 2.99 3.00 1n7pA1 LEU 383 H 0.10 0.08 0.19 -0.55 8.37 8.19 1n7pA1 LEU 383 HA 0.15 0.19 0.63 -0.75 4.35 4.57 1n7pA1 LEU 383 HB2 0.03 -0.05 0.14 -0.04 1.64 1.72 1n7pA1 LEU 383 HB3 0.02 -0.02 -0.06 -0.04 1.64 1.54 1n7pA1 LEU 383 HG 0.11 -0.10 -0.38 -0.04 1.64 1.23 1n7pA1 LEU 383 HD13 0.35 0.03 -0.20 -0.04 0.93 1.07 1n7pA1 LEU 383 HD23 -0.25 -0.01 -0.03 -0.04 0.89 0.56 1n7pA1 VAL 384 H -0.17 0.61 0.29 -0.55 8.24 8.43 1n7pA1 VAL 384 HA -0.11 0.15 0.85 -0.75 4.13 4.27 1n7pA1 VAL 384 HB -0.22 -0.01 0.07 -0.04 2.12 1.92 1n7pA1 VAL 384 HG13 -0.09 0.07 -0.07 -0.04 0.97 0.84 1n7pA1 VAL 384 HG23 -0.75 0.03 -0.52 -0.04 0.95 -0.33 1n7pA1 ASP 385 H -0.11 0.14 0.15 -0.55 8.40 8.04 1n7pA1 ASP 385 HA -0.03 0.16 0.82 -0.75 4.63 4.83 1n7pA1 ASP 385 HB2 0.07 0.02 0.18 -0.04 2.71 2.95 1n7pA1 ASP 385 HB3 0.04 -0.01 0.07 -0.04 2.70 2.76 1n7pA1 GLN 386 H -0.13 0.18 0.09 -0.55 8.47 8.06 1n7pA1 GLN 386 HA 0.18 0.14 0.49 -0.75 4.36 4.41 1n7pA1 GLN 386 HB2 0.03 -0.05 -0.21 -0.04 2.15 1.88 1n7pA1 GLN 386 HB3 0.01 -0.01 -0.08 -0.04 2.02 1.90 1n7pA1 GLN 386 HG2 0.05 -0.04 0.10 -0.04 2.40 2.47 1n7pA1 GLN 386 HG3 0.08 0.11 0.15 -0.04 2.39 2.69 1n7pA1 GLN 386 HE21 0.02 -0.01 -0.01 -0.04 6.97 6.92 1n7pA1 GLN 386 HE22 0.02 -0.02 -0.04 -0.04 7.69 7.60 1n7pA1 GLY 387 H 0.10 0.16 0.10 -0.55 8.43 8.24 1n7pA1 GLY 387 HA2 0.02 0.10 0.33 -0.51 4.01 3.95 1n7pA1 GLY 387 HA3 -0.01 0.03 0.40 -0.51 4.01 3.92 1n7pA1 GLU 388 H -0.06 0.07 0.14 -0.55 8.60 8.20 1n7pA1 GLU 388 HA -0.15 0.10 0.22 -0.75 4.29 3.70 1n7pA1 GLU 388 HB2 -0.11 0.02 0.08 -0.04 2.09 2.04 1n7pA1 GLU 388 HB3 -0.20 -0.01 0.04 -0.04 1.99 1.78 1n7pA1 GLU 388 HG2 -0.09 -0.11 -0.29 -0.04 2.34 1.81 1n7pA1 GLU 388 HG3 -0.06 0.08 -0.02 -0.04 2.34 2.29 1n7pA1 GLY 389 H -0.54 0.46 0.36 -0.55 8.43 8.17 1n7pA1 GLY 389 HA2 -0.34 -0.11 0.30 -0.51 4.01 3.36 1n7pA1 GLY 389 HA3 -0.18 0.30 0.89 -0.51 4.01 4.50 1n7pA1 PHE 390 H 0.09 0.25 0.19 -0.55 8.34 8.32 1n7pA1 PHE 390 HA 0.16 0.18 0.82 -0.75 4.62 5.03 1n7pA1 PHE 390 HB2 0.12 0.07 0.08 -0.04 3.15 3.37 1n7pA1 PHE 390 HB3 0.24 0.08 -0.08 -0.04 3.06 3.26 1n7pA1 PHE 390 HD2 -0.36 0.14 -0.03 -0.04 7.28 6.99 1n7pA1 PHE 390 HE2 -1.08 0.00 -0.06 -0.04 7.38 6.20 1n7pA1 PHE 390 HZ -0.51 0.00 -0.03 -0.04 7.32 6.74 1n7pA1 TYR 391 H 0.48 0.66 0.20 -0.55 8.29 9.09 1n7pA1 TYR 391 HA 0.13 0.34 0.89 -0.75 4.56 5.17 1n7pA1 TYR 391 HB2 0.12 -0.11 0.02 -0.04 3.06 3.04 1n7pA1 TYR 391 HB3 0.10 -0.14 0.07 -0.04 2.98 2.98 1n7pA1 TYR 391 HD2 0.01 0.01 -0.18 -0.04 7.15 6.96 1n7pA1 TYR 391 HE2 -0.06 0.08 -0.33 -0.04 6.85 6.50 1n7pA1 GLN 392 H 0.20 0.27 0.16 -0.55 8.47 8.55 1n7pA1 GLN 392 HA 0.17 0.10 0.48 -0.75 4.36 4.36 1n7pA1 GLN 392 HB2 0.06 0.04 0.12 -0.04 2.15 2.32 1n7pA1 GLN 392 HB3 0.13 0.01 0.18 -0.04 2.02 2.30 1n7pA1 GLN 392 HG2 0.15 0.04 -0.42 -0.04 2.40 2.12 1n7pA1 GLN 392 HG3 0.09 0.01 -0.01 -0.04 2.39 2.44 1n7pA1 GLN 392 HE21 0.08 0.04 0.02 -0.04 6.97 7.07 1n7pA1 GLN 392 HE22 0.10 -0.01 -0.07 -0.04 7.69 7.67 1n7pA1 ASP 393 H 0.25 0.04 -0.17 -0.55 8.40 7.98 1n7pA1 ASP 393 HA 0.15 0.20 0.51 -0.75 4.63 4.74 1n7pA1 ASP 393 HB2 0.05 0.13 0.24 -0.04 2.71 3.10 1n7pA1 ASP 393 HB3 0.10 0.02 0.12 -0.04 2.70 2.90 1n7pA1 GLY 394 H 0.35 0.39 -0.68 -0.55 8.43 7.93 1n7pA1 GLY 394 HA2 0.28 0.02 0.06 -0.51 4.01 3.86 1n7pA1 GLY 394 HA3 0.43 0.32 0.42 -0.51 4.01 4.67 1n7pA1 SER 395 H 0.25 -0.08 -0.32 -0.55 8.46 7.76 1n7pA1 SER 395 HA -0.20 0.09 0.32 -0.75 4.49 3.95 1n7pA1 SER 395 HB2 -0.21 0.00 -0.19 -0.04 3.95 3.50 1n7pA1 SER 395 HB3 -0.18 0.10 -0.27 -0.04 3.93 3.54 1n7pA1 TYR 396 H -0.09 0.16 0.18 -0.55 8.29 7.99 1n7pA1 TYR 396 HA -0.11 0.41 0.78 -0.75 4.56 4.88 1n7pA1 TYR 396 HB2 -0.50 0.13 -0.06 -0.04 3.06 2.58 1n7pA1 TYR 396 HB3 -0.32 -0.18 0.08 -0.04 2.98 2.52 1n7pA1 TYR 396 HD2 -1.15 -0.09 -0.47 -0.04 7.15 5.40 1n7pA1 TYR 396 HE2 -0.46 -0.06 -0.19 -0.04 6.85 6.10 1n7pA1 ILE 397 H -0.47 0.63 0.22 -0.55 8.25 8.08 1n7pA1 ILE 397 HA -0.16 0.29 0.81 -0.75 4.18 4.37 1n7pA1 ILE 397 HB 0.01 0.17 0.04 -0.04 1.89 2.07 1n7pA1 ILE 397 HG12 -0.20 -0.18 -0.39 -0.04 1.49 0.68 1n7pA1 ILE 397 HG13 -0.13 0.13 -0.14 -0.04 1.21 1.03 1n7pA1 ILE 397 HG23 -0.05 -0.05 -0.40 -0.04 0.93 0.39 1n7pA1 ILE 397 HD13 -0.10 0.03 -0.27 -0.04 0.88 0.50 1n7pA1 ASP 398 H -0.02 0.72 0.22 -0.55 8.40 8.77 1n7pA1 ASP 398 HA -0.19 0.09 0.36 -0.75 4.63 4.13 1n7pA1 ASP 398 HB2 -0.03 -0.00 -0.14 -0.04 2.71 2.50 1n7pA1 ASP 398 HB3 -0.35 0.03 -0.02 -0.04 2.70 2.32 1n7pA1 HIS 399 H 0.03 0.14 0.10 -0.55 8.41 8.13 1n7pA1 HIS 399 HA -0.09 0.06 0.34 -0.75 4.63 4.19 1n7pA1 HIS 399 HB2 0.10 0.10 -0.20 -0.04 3.26 3.21 1n7pA1 HIS 399 HB3 0.01 0.06 0.20 -0.04 3.20 3.43 1n7pA1 HIS 399 HD2 -0.35 -0.04 0.09 -0.04 6.97 6.62 1n7pA1 HIS 399 HE1 0.11 -0.00 -0.04 -0.04 7.75 7.77 1n7pA1 THR 400 H -0.01 0.03 -0.25 -0.55 8.28 7.50 1n7pA1 THR 400 HA -0.01 -0.01 0.29 -0.75 4.39 3.89 1n7pA1 THR 400 HB 0.01 0.20 0.18 -0.04 4.32 4.67 1n7pA1 THR 400 HG23 -0.00 0.02 -0.09 -0.04 1.22 1.10 1n7pA1 ASN 401 H 0.03 0.47 -0.22 -0.55 8.53 8.27 1n7pA1 ASN 401 HA 0.00 0.15 0.62 -0.75 4.76 4.77 1n7pA1 ASN 401 HB2 0.03 0.23 0.23 -0.04 2.88 3.34 1n7pA1 ASN 401 HB3 0.02 0.06 -0.27 -0.04 2.79 2.56 1n7pA1 ASN 401 HD21 0.04 -0.03 -0.16 -0.04 7.03 6.84 1n7pA1 ASN 401 HD22 0.05 0.13 -0.20 -0.04 7.74 7.67 1n7pA1 VAL 402 H 0.02 0.44 0.06 -0.55 8.24 8.21 1n7pA1 VAL 402 HA -0.04 0.22 0.97 -0.75 4.13 4.53 1n7pA1 VAL 402 HB 0.13 -0.04 0.05 -0.04 2.12 2.22 1n7pA1 VAL 402 HG13 -0.34 0.06 -0.12 -0.04 0.97 0.52 1n7pA1 VAL 402 HG23 0.05 0.00 -0.07 -0.04 0.95 0.89 1n7pA1 ALA 403 H -0.08 0.29 0.17 -0.55 8.40 8.24 1n7pA1 ALA 403 HA -0.07 0.10 0.68 -0.75 4.34 4.29 1n7pA1 ALA 403 HB3 -0.09 0.06 0.21 -0.04 1.41 1.55 1n7pA1 TYR 404 H 0.08 0.51 0.37 -0.55 8.29 8.70 1n7pA1 TYR 404 HA -0.01 0.29 0.78 -0.75 4.56 4.86 1n7pA1 TYR 404 HB2 0.01 0.20 -0.24 -0.04 3.06 2.99 1n7pA1 TYR 404 HB3 0.23 -0.20 0.03 -0.04 2.98 2.99 1n7pA1 TYR 404 HD2 -0.06 -0.00 -0.11 -0.04 7.15 6.94 1n7pA1 TYR 404 HE2 -0.09 0.10 -0.20 -0.04 6.85 6.63 1n7pA1 THR 405 H -0.02 0.22 0.19 -0.55 8.28 8.13 1n7pA1 THR 405 HA -0.39 -0.02 0.29 -0.75 4.39 3.52 1n7pA1 THR 405 HB -0.22 0.05 0.05 -0.04 4.32 4.16 1n7pA1 THR 405 HG23 -0.61 0.06 -0.12 -0.04 1.22 0.50 1n7pA1 GLY 406 H -0.02 0.51 -0.28 -0.55 8.43 8.09 1n7pA1 GLY 406 HA2 0.03 0.11 0.16 -0.51 4.01 3.79 1n7pA1 GLY 406 HA3 -0.03 0.05 -0.01 -0.51 4.01 3.51 1n7pA1 ALA 407 H 0.04 0.25 -0.33 -0.55 8.40 7.81 1n7pA1 ALA 407 HA -0.14 0.22 0.62 -0.75 4.34 4.30 1n7pA1 ALA 407 HB3 -0.10 0.02 0.01 -0.04 1.41 1.29 1n7pA1 TYR 408 H -0.22 0.26 0.13 -0.55 8.29 7.92 1n7pA1 TYR 408 HA -0.22 0.09 0.64 -0.75 4.56 4.32 1n7pA1 TYR 408 HB2 -0.23 0.12 0.10 -0.04 3.06 3.01 1n7pA1 TYR 408 HB3 -0.13 -0.15 0.09 -0.04 2.98 2.75 1n7pA1 TYR 408 HD2 -1.16 -0.01 0.02 -0.04 7.15 5.96 1n7pA1 TYR 408 HE2 -0.58 0.02 -0.04 -0.04 6.85 6.21 1n7pA1 GLY 409 H -0.27 0.41 -0.08 -0.55 8.43 7.94 1n7pA1 GLY 409 HA2 -0.80 -0.02 0.44 -0.51 4.01 3.13 1n7pA1 GLY 409 HA3 -0.55 0.24 0.36 -0.51 4.01 3.54 1n7pA1 ASN 410 H -0.05 0.12 -0.42 -0.55 8.53 7.64 1n7pA1 ASN 410 HA -0.04 0.05 0.22 -0.75 4.76 4.24 1n7pA1 ASN 410 HB2 -0.10 0.21 -0.03 -0.04 2.88 2.91 1n7pA1 ASN 410 HB3 -0.08 -0.02 -0.19 -0.04 2.79 2.45 1n7pA1 ASN 410 HD21 -0.04 0.04 -0.09 -0.04 7.03 6.90 1n7pA1 ASN 410 HD22 -0.07 -0.05 -0.04 -0.04 7.74 7.54 1n7pA1 VAL 411 H -0.12 0.34 -0.29 -0.55 8.24 7.62 1n7pA1 VAL 411 HA -0.07 0.05 0.28 -0.75 4.13 3.64 1n7pA1 VAL 411 HB -0.08 -0.00 0.15 -0.04 2.12 2.15 1n7pA1 VAL 411 HG13 -0.02 0.00 -0.13 -0.04 0.97 0.79 1n7pA1 VAL 411 HG23 -0.18 0.05 0.01 -0.04 0.95 0.79 1n7pA1 LEU 412 H -0.07 0.39 -0.32 -0.55 8.37 7.83 1n7pA1 LEU 412 HA -0.00 -0.01 0.41 -0.75 4.35 4.00 1n7pA1 LEU 412 HB2 -0.13 -0.04 0.10 -0.04 1.64 1.53 1n7pA1 LEU 412 HB3 -0.11 0.18 0.13 -0.04 1.64 1.81 1n7pA1 LEU 412 HG -0.06 0.00 -0.15 -0.04 1.64 1.39 1n7pA1 LEU 412 HD13 -0.18 -0.05 -0.13 -0.04 0.93 0.52 1n7pA1 LEU 412 HD23 -0.23 0.01 -0.22 -0.04 0.89 0.41 1n7pA1 ILE 413 H -0.00 0.54 -0.06 -0.55 8.25 8.18 1n7pA1 ILE 413 HA 0.15 0.04 0.39 -0.75 4.18 4.00 1n7pA1 ILE 413 HB 0.02 -0.01 0.03 -0.04 1.89 1.89 1n7pA1 ILE 413 HG12 -0.08 -0.03 -0.20 -0.04 1.49 1.14 1n7pA1 ILE 413 HG13 0.12 -0.02 -0.01 -0.04 1.21 1.26 1n7pA1 ILE 413 HG23 -0.40 0.04 -0.01 -0.04 0.93 0.51 1n7pA1 ILE 413 HD13 -0.12 0.00 -0.10 -0.04 0.88 0.62 1n7pA1 ASP 414 H -0.05 0.69 -0.10 -0.55 8.40 8.39 1n7pA1 ASP 414 HA -0.03 0.02 0.41 -0.75 4.63 4.28 1n7pA1 ASP 414 HB2 -0.07 0.09 0.05 -0.04 2.71 2.73 1n7pA1 ASP 414 HB3 -0.04 -0.04 0.10 -0.04 2.70 2.68 1n7pA1 GLY 415 H 0.01 0.67 -0.08 -0.55 8.43 8.49 1n7pA1 GLY 415 HA2 0.09 0.02 0.34 -0.51 4.01 3.95 1n7pA1 GLY 415 HA3 0.07 0.04 0.25 -0.51 4.01 3.86 1n7pA1 LEU 416 H 0.08 0.60 -0.13 -0.55 8.37 8.38 1n7pA1 LEU 416 HA 0.12 -0.01 0.44 -0.75 4.35 4.14 1n7pA1 LEU 416 HB2 0.12 0.06 0.14 -0.04 1.64 1.92 1n7pA1 LEU 416 HB3 0.18 0.05 0.10 -0.04 1.64 1.93 1n7pA1 LEU 416 HG 0.19 -0.02 -0.13 -0.04 1.64 1.65 1n7pA1 LEU 416 HD13 0.12 -0.02 -0.00 -0.04 0.93 0.99 1n7pA1 LEU 416 HD23 0.26 -0.01 -0.08 -0.04 0.89 1.01 1n7pA1 SER 417 H 0.08 0.54 -0.25 -0.55 8.46 8.29 1n7pA1 SER 417 HA 0.08 -0.01 0.30 -0.75 4.49 4.10 1n7pA1 SER 417 HB2 0.03 -0.08 0.05 -0.04 3.95 3.91 1n7pA1 SER 417 HB3 0.04 0.01 0.12 -0.04 3.93 4.07 1n7pA1 GLN 418 H 0.09 0.32 -0.32 -0.55 8.47 8.01 1n7pA1 GLN 418 HA 0.07 0.06 0.57 -0.75 4.36 4.30 1n7pA1 GLN 418 HB2 0.19 0.14 0.12 -0.04 2.15 2.56 1n7pA1 GLN 418 HB3 0.14 -0.07 -0.09 -0.04 2.02 1.95 1n7pA1 GLN 418 HG2 -0.08 -0.02 -0.04 -0.04 2.40 2.22 1n7pA1 GLN 418 HG3 -0.00 0.18 0.02 -0.04 2.39 2.54 1n7pA1 GLN 418 HE21 -0.19 -0.02 -0.07 -0.04 6.97 6.65 1n7pA1 GLN 418 HE22 -0.16 0.03 -0.10 -0.04 7.69 7.41 1n7pA1 LEU 419 H 0.21 0.43 -0.14 -0.55 8.37 8.32 1n7pA1 LEU 419 HA 0.30 0.01 0.37 -0.75 4.35 4.28 1n7pA1 LEU 419 HB2 0.15 0.21 0.13 -0.04 1.64 2.09 1n7pA1 LEU 419 HB3 0.11 0.01 -0.04 -0.04 1.64 1.67 1n7pA1 LEU 419 HG -0.01 -0.06 -0.08 -0.04 1.64 1.45 1n7pA1 LEU 419 HD13 -0.25 0.01 -0.13 -0.04 0.93 0.52 1n7pA1 LEU 419 HD23 0.04 -0.04 -0.17 -0.04 0.89 0.68 1n7pA1 LEU 420 H 0.13 0.53 -0.14 -0.55 8.37 8.35 1n7pA1 LEU 420 HA 0.10 -0.09 0.21 -0.75 4.35 3.82 1n7pA1 LEU 420 HB2 0.09 0.14 0.06 -0.04 1.64 1.89 1n7pA1 LEU 420 HB3 0.08 -0.03 -0.07 -0.04 1.64 1.57 1n7pA1 LEU 420 HG 0.15 0.16 0.03 -0.04 1.64 1.94 1n7pA1 LEU 420 HD13 0.12 -0.01 -0.09 -0.04 0.93 0.91 1n7pA1 LEU 420 HD23 0.18 -0.03 -0.04 -0.04 0.89 0.95 1n7pA1 PRO 421 HA 0.07 0.05 0.47 -0.51 4.44 4.52 1n7pA1 PRO 421 HB2 0.11 0.03 -0.10 -0.04 2.28 2.29 1n7pA1 PRO 421 HB3 0.07 0.01 0.03 -0.04 2.02 2.09 1n7pA1 PRO 421 HG2 0.07 0.08 0.01 -0.04 2.03 2.14 1n7pA1 PRO 421 HG3 0.06 0.02 0.00 -0.04 2.03 2.08 1n7pA1 PRO 421 HD2 0.14 0.27 -0.44 -0.04 3.68 3.61 1n7pA1 PRO 421 HD3 0.09 0.12 -0.01 -0.04 3.65 3.80 1n7pA1 VAL 422 H 0.15 0.34 -0.35 -0.55 8.24 7.83 1n7pA1 VAL 422 HA 0.10 0.08 0.61 -0.75 4.13 4.17 1n7pA1 VAL 422 HB 0.08 0.14 0.11 -0.04 2.12 2.41 1n7pA1 VAL 422 HG13 0.00 -0.03 -0.19 -0.04 0.97 0.71 1n7pA1 VAL 422 HG23 0.33 0.01 -0.06 -0.04 0.95 1.19 1n7pA1 ILE 423 H 0.06 0.60 0.05 -0.55 8.25 8.42 1n7pA1 ILE 423 HA 0.02 -0.02 0.36 -0.75 4.18 3.79 1n7pA1 ILE 423 HB 0.07 0.07 0.05 -0.04 1.89 2.03 1n7pA1 ILE 423 HG12 0.02 -0.03 -0.00 -0.04 1.49 1.43 1n7pA1 ILE 423 HG13 0.01 0.04 -0.02 -0.04 1.21 1.21 1n7pA1 ILE 423 HG23 0.05 -0.02 -0.17 -0.04 0.93 0.76 1n7pA1 ILE 423 HD13 0.06 -0.01 -0.09 -0.04 0.88 0.80 1n7pA1 GLN 424 H 0.05 0.56 -0.31 -0.55 8.47 8.23 1n7pA1 GLN 424 HA 0.03 -0.08 0.34 -0.75 4.36 3.90 1n7pA1 GLN 424 HB2 0.04 0.14 0.05 -0.04 2.15 2.34 1n7pA1 GLN 424 HB3 0.02 -0.03 0.07 -0.04 2.02 2.04 1n7pA1 GLN 424 HG2 0.04 0.15 0.01 -0.04 2.40 2.57 1n7pA1 GLN 424 HG3 0.02 -0.01 -0.01 -0.04 2.39 2.35 1n7pA1 GLN 424 HE21 -0.02 0.41 0.10 -0.04 6.97 7.42 1n7pA1 GLN 424 HE22 -0.01 -0.01 0.01 -0.04 7.69 7.64 1n7pA1 LYS 425 H 0.04 0.32 -0.56 -0.55 8.42 7.66 1n7pA1 LYS 425 HA 0.02 0.17 0.88 -0.75 4.32 4.63 1n7pA1 LYS 425 HB2 0.04 0.13 0.10 -0.04 1.87 2.10 1n7pA1 LYS 425 HB3 0.02 -0.10 0.12 -0.04 1.79 1.79 1n7pA1 LYS 425 HG2 0.02 -0.07 0.05 -0.04 1.46 1.42 1n7pA1 LYS 425 HG3 0.03 0.04 -0.10 -0.04 1.46 1.38 1n7pA1 LYS 425 HD2 0.05 0.19 0.02 -0.04 1.69 1.91 1n7pA1 LYS 425 HD3 0.04 -0.05 0.02 -0.04 1.68 1.66 1n7pA1 LYS 425 HE2 0.03 -0.06 0.00 -0.04 2.99 2.92 1n7pA1 LYS 425 HE3 0.03 -0.00 -0.01 -0.04 2.99 2.97 1n7pA1 THR 426 H 0.02 0.35 -0.24 -0.55 8.28 7.86 1n7pA1 THR 426 HA 0.01 0.08 0.66 -0.75 4.39 4.38 1n7pA1 THR 426 HB 0.03 -0.19 0.13 -0.04 4.32 4.25 1n7pA1 THR 426 HG23 0.02 0.05 0.01 -0.04 1.22 1.26 1n7pA1 LYS 427 H 0.02 0.07 0.09 -0.55 8.42 8.05 1n7pA1 LYS 427 HA 0.00 0.17 0.51 -0.75 4.32 4.25 1n7pA1 LYS 427 HB2 0.02 -0.06 0.11 -0.04 1.87 1.89 1n7pA1 LYS 427 HB3 0.01 0.01 0.08 -0.04 1.79 1.85 1n7pA1 LYS 427 HG2 -0.00 0.03 0.06 -0.04 1.46 1.50 1n7pA1 LYS 427 HG3 -0.02 0.03 -0.01 -0.04 1.46 1.42 1n7pA1 LYS 427 HD2 -0.02 0.00 0.02 -0.04 1.69 1.65 1n7pA1 LYS 427 HD3 -0.01 -0.04 0.02 -0.04 1.68 1.61 1n7pA1 LYS 427 HE2 0.02 -0.02 0.01 -0.04 2.99 2.96 1n7pA1 LYS 427 HE3 0.03 -0.02 0.01 -0.04 2.99 2.97 1n7pA1 ASN 428 H 0.02 -0.00 -0.50 -0.55 8.53 7.50 1n7pA1 ASN 428 HA 0.01 0.21 0.78 -0.75 4.76 5.02 1n7pA1 ASN 428 HB2 0.02 -0.04 0.09 -0.04 2.88 2.91 1n7pA1 ASN 428 HB3 0.02 0.04 0.09 -0.04 2.79 2.89 1n7pA1 ASN 428 HD21 0.02 -0.05 -0.07 -0.04 7.03 6.88 1n7pA1 ASN 428 HD22 0.02 0.08 -0.00 -0.04 7.74 7.79 1n7pA1 PRO 429 HA 0.02 0.12 0.34 -0.51 4.44 4.41 1n7pA1 PRO 429 HB2 0.00 0.01 -0.07 -0.04 2.28 2.19 1n7pA1 PRO 429 HB3 0.01 0.22 0.10 -0.04 2.02 2.32 1n7pA1 PRO 429 HG2 0.00 -0.08 -0.08 -0.04 2.03 1.83 1n7pA1 PRO 429 HG3 0.00 0.08 -0.02 -0.04 2.03 2.05 1n7pA1 PRO 429 HD2 0.01 0.12 -0.21 -0.04 3.68 3.56 1n7pA1 PRO 429 HD3 0.01 0.40 -0.26 -0.04 3.65 3.77 1n7pA1 ILE 430 H 0.02 0.11 0.05 -0.55 8.25 7.88 1n7pA1 ILE 430 HA 0.01 0.11 0.71 -0.75 4.18 4.25 1n7pA1 ILE 430 HB -0.01 -0.01 0.03 -0.04 1.89 1.86 1n7pA1 ILE 430 HG12 0.11 0.02 -0.06 -0.04 1.49 1.53 1n7pA1 ILE 430 HG13 0.07 0.04 -0.14 -0.04 1.21 1.14 1n7pA1 ILE 430 HG23 -0.12 0.04 -0.09 -0.04 0.93 0.72 1n7pA1 ILE 430 HD13 0.22 -0.00 -0.07 -0.04 0.88 0.99 1n7pA1 ASP 431 H -0.04 0.13 0.10 -0.55 8.40 8.05 1n7pA1 ASP 431 HA -0.04 0.11 0.43 -0.75 4.63 4.38 1n7pA1 ASP 431 HB2 -0.07 -0.15 0.09 -0.04 2.71 2.55 1n7pA1 ASP 431 HB3 -0.04 -0.04 0.09 -0.04 2.70 2.66 1n7pA1 LYS 432 H -0.05 0.18 0.18 -0.55 8.42 8.18 1n7pA1 LYS 432 HA -0.09 0.15 0.37 -0.75 4.32 4.00 1n7pA1 LYS 432 HB2 -0.04 -0.04 0.07 -0.04 1.87 1.82 1n7pA1 LYS 432 HB3 -0.03 0.04 0.04 -0.04 1.79 1.80 1n7pA1 LYS 432 HG2 -0.02 0.05 0.04 -0.04 1.46 1.50 1n7pA1 LYS 432 HG3 -0.03 0.09 0.08 -0.04 1.46 1.56 1n7pA1 LYS 432 HD2 -0.03 -0.07 0.12 -0.04 1.69 1.67 1n7pA1 LYS 432 HD3 -0.02 -0.02 0.05 -0.04 1.68 1.65 1n7pA1 LYS 432 HE2 -0.01 0.00 0.02 -0.04 2.99 2.96 1n7pA1 LYS 432 HE3 -0.01 0.08 0.03 -0.04 2.99 3.04 1n7pA1 ASP 433 H -0.06 0.06 -0.14 -0.55 8.40 7.72 1n7pA1 ASP 433 HA -0.05 0.08 0.39 -0.75 4.63 4.29 1n7pA1 ASP 433 HB2 -0.05 -0.06 0.05 -0.04 2.71 2.61 1n7pA1 ASP 433 HB3 -0.04 0.07 -0.05 -0.04 2.70 2.64 1n7pA1 LYS 434 H -0.13 0.08 -0.31 -0.55 8.42 7.51 1n7pA1 LYS 434 HA -0.11 0.08 0.37 -0.75 4.32 3.91 1n7pA1 LYS 434 HB2 -0.21 0.11 0.09 -0.04 1.87 1.82 1n7pA1 LYS 434 HB3 -0.23 0.05 -0.02 -0.04 1.79 1.55 1n7pA1 LYS 434 HG2 -0.02 0.03 0.02 -0.04 1.46 1.44 1n7pA1 LYS 434 HG3 -0.05 -0.09 0.04 -0.04 1.46 1.32 1n7pA1 LYS 434 HD2 0.01 -0.04 0.04 -0.04 1.69 1.66 1n7pA1 LYS 434 HD3 0.08 0.09 0.01 -0.04 1.68 1.82 1n7pA1 LYS 434 HE2 0.05 0.05 -0.02 -0.04 2.99 3.03 1n7pA1 LYS 434 HE3 0.02 -0.03 -0.00 -0.04 2.99 2.93 1n7pA1 MET 435 H -0.37 0.33 -0.30 -0.55 8.47 7.58 1n7pA1 MET 435 HA -1.31 0.05 0.36 -0.75 4.52 2.86 1n7pA1 MET 435 HB2 -0.27 0.12 0.06 -0.04 2.15 2.03 1n7pA1 MET 435 HB3 -0.32 -0.05 0.02 -0.04 2.03 1.65 1n7pA1 MET 435 HG2 -0.54 -0.03 -0.03 -0.04 2.63 1.99 1n7pA1 MET 435 HG3 -0.58 0.01 -0.09 -0.04 2.56 1.86 1n7pA1 MET 435 HE3 -0.06 -0.00 -0.06 -0.04 2.10 1.94 1n7pA1 GLN 436 H -0.18 0.40 -0.45 -0.55 8.47 7.69 1n7pA1 GLN 436 HA 0.08 0.02 0.34 -0.75 4.36 4.04 1n7pA1 GLN 436 HB2 -0.04 0.14 0.16 -0.04 2.15 2.37 1n7pA1 GLN 436 HB3 -0.03 0.03 0.01 -0.04 2.02 1.98 1n7pA1 GLN 436 HG2 0.01 -0.00 0.03 -0.04 2.40 2.39 1n7pA1 GLN 436 HG3 0.09 -0.07 0.08 -0.04 2.39 2.45 1n7pA1 GLN 436 HE21 -0.14 -0.01 0.01 -0.04 6.97 6.79 1n7pA1 GLN 436 HE22 -0.08 -0.02 0.02 -0.04 7.69 7.58 1n7pA1 THR 437 H -0.21 0.36 -0.34 -0.55 8.28 7.55 1n7pA1 THR 437 HA -0.16 0.01 0.42 -0.75 4.39 3.90 1n7pA1 THR 437 HB -0.10 -0.08 0.11 -0.04 4.32 4.21 1n7pA1 THR 437 HG23 -0.02 0.08 0.13 -0.04 1.22 1.37 1n7pA1 MET 438 H -0.65 0.51 -0.28 -0.55 8.47 7.50 1n7pA1 MET 438 HA -2.24 0.01 0.40 -0.75 4.52 1.94 1n7pA1 MET 438 HB2 -0.86 0.09 0.03 -0.04 2.15 1.37 1n7pA1 MET 438 HB3 -0.54 -0.05 -0.06 -0.04 2.03 1.34 1n7pA1 MET 438 HG2 -0.78 -0.05 -0.01 -0.04 2.63 1.74 1n7pA1 MET 438 HG3 -0.31 0.14 0.10 -0.04 2.56 2.45 1n7pA1 MET 438 HE3 -0.35 0.03 -0.04 -0.04 2.10 1.70 1n7pA1 TYR 439 H -0.51 0.38 -0.24 -0.55 8.29 7.38 1n7pA1 TYR 439 HA -0.08 0.04 0.51 -0.75 4.56 4.28 1n7pA1 TYR 439 HB2 -0.08 0.11 0.08 -0.04 3.06 3.14 1n7pA1 TYR 439 HB3 -0.05 -0.03 0.07 -0.04 2.98 2.92 1n7pA1 TYR 439 HD2 -0.08 0.06 0.05 -0.04 7.15 7.14 1n7pA1 TYR 439 HE2 -0.07 0.03 -0.10 -0.04 6.85 6.67 1n7pA1 HIS 440 H -0.04 0.28 -0.23 -0.55 8.41 7.88 1n7pA1 HIS 440 HA 0.03 0.02 0.49 -0.75 4.63 4.42 1n7pA1 HIS 440 HB2 -0.03 -0.02 0.13 -0.04 3.26 3.30 1n7pA1 HIS 440 HB3 -0.08 0.17 0.13 -0.04 3.20 3.37 1n7pA1 HIS 440 HD2 0.04 -0.03 0.03 -0.04 6.97 6.97 1n7pA1 HIS 440 HE1 0.16 0.17 0.09 -0.04 7.75 8.13 1n7pA1 TRP 441 H -0.26 0.47 -0.11 -0.55 7.97 7.53 1n7pA1 TRP 441 HA -0.23 0.03 0.41 -0.75 4.62 4.09 1n7pA1 TRP 441 HB2 -0.11 0.13 0.08 -0.04 3.23 3.29 1n7pA1 TRP 441 HB3 -0.48 -0.08 0.00 -0.04 3.23 2.63 1n7pA1 TRP 441 HD1 -0.39 -0.04 -0.08 -0.04 7.22 6.66 1n7pA1 TRP 441 HE1 -0.04 0.06 -0.14 -0.04 10.20 10.04 1n7pA1 TRP 441 HE3 -0.05 0.00 -0.03 -0.04 7.59 7.48 1n7pA1 TRP 441 HZ2 0.01 0.29 -0.17 -0.04 7.44 7.52 1n7pA1 TRP 441 HZ3 0.01 -0.00 -0.11 -0.04 7.13 6.99 1n7pA1 TRP 441 HH2 -0.24 -0.01 -0.17 -0.04 7.19 6.72 1n7pA1 ILE 442 H 0.14 0.48 -0.22 -0.55 8.25 8.10 1n7pA1 ILE 442 HA 0.33 -0.04 0.29 -0.75 4.18 4.01 1n7pA1 ILE 442 HB 0.10 0.11 0.17 -0.04 1.89 2.23 1n7pA1 ILE 442 HG12 0.04 -0.06 -0.01 -0.04 1.49 1.42 1n7pA1 ILE 442 HG13 0.11 0.13 0.06 -0.04 1.21 1.47 1n7pA1 ILE 442 HG23 0.06 -0.01 -0.12 -0.04 0.93 0.82 1n7pA1 ILE 442 HD13 0.02 -0.01 -0.06 -0.04 0.88 0.79 1n7pA1 ASP 443 H 0.04 0.49 -0.12 -0.55 8.40 8.27 1n7pA1 ASP 443 HA -0.00 0.04 0.32 -0.75 4.63 4.23 1n7pA1 ASP 443 HB2 -0.05 0.05 0.12 -0.04 2.71 2.78 1n7pA1 ASP 443 HB3 -0.04 -0.02 -0.01 -0.04 2.70 2.58 1n7pA1 LYS 444 H -0.08 0.55 -0.07 -0.55 8.42 8.27 1n7pA1 LYS 444 HA -0.04 0.11 0.55 -0.75 4.32 4.18 1n7pA1 LYS 444 HB2 -0.57 0.26 0.15 -0.04 1.87 1.67 1n7pA1 LYS 444 HB3 -0.07 -0.05 -0.12 -0.04 1.79 1.51 1n7pA1 LYS 444 HG2 -0.22 -0.07 -0.05 -0.04 1.46 1.08 1n7pA1 LYS 444 HG3 -0.42 0.03 0.02 -0.04 1.46 1.04 1n7pA1 LYS 444 HD2 0.02 0.03 -0.05 -0.04 1.69 1.64 1n7pA1 LYS 444 HD3 -0.04 -0.04 -0.01 -0.04 1.68 1.55 1n7pA1 LYS 444 HE2 0.14 0.13 0.06 -0.04 2.99 3.28 1n7pA1 LYS 444 HE3 0.09 -0.06 -0.05 -0.04 2.99 2.93 1n7pA1 SER 445 H 0.05 0.39 0.03 -0.55 8.46 8.39 1n7pA1 SER 445 HA 0.05 0.21 0.81 -0.75 4.49 4.80 1n7pA1 SER 445 HB2 -0.13 0.07 0.20 -0.04 3.95 4.05 1n7pA1 SER 445 HB3 -0.23 -0.13 -0.00 -0.04 3.93 3.53 1n7pA1 PHE 446 H 0.15 0.42 0.10 -0.55 8.34 8.46 1n7pA1 PHE 446 HA -0.01 0.05 0.41 -0.75 4.62 4.31 1n7pA1 PHE 446 HB2 0.03 0.09 0.12 -0.04 3.15 3.34 1n7pA1 PHE 446 HB3 -0.00 -0.04 -0.14 -0.04 3.06 2.84 1n7pA1 PHE 446 HD2 0.03 0.02 -0.28 -0.04 7.28 7.01 1n7pA1 PHE 446 HE2 0.00 0.00 -0.20 -0.04 7.38 7.14 1n7pA1 PHE 446 HZ -0.03 0.03 -0.21 -0.04 7.32 7.07 1n7pA1 ALA 447 H 0.12 0.66 0.12 -0.55 8.40 8.74 1n7pA1 ALA 447 HA 0.00 -0.04 0.31 -0.75 4.34 3.86 1n7pA1 ALA 447 HB3 -0.06 0.04 0.06 -0.04 1.41 1.40 1n7pA1 PRO 448 HA -0.54 0.09 0.31 -0.51 4.44 3.79 1n7pA1 PRO 448 HB2 0.27 0.01 -0.17 -0.04 2.28 2.35 1n7pA1 PRO 448 HB3 -0.08 -0.05 -0.04 -0.04 2.02 1.80 1n7pA1 PRO 448 HG2 0.12 0.22 -0.12 -0.04 2.03 2.20 1n7pA1 PRO 448 HG3 -0.21 0.03 -0.06 -0.04 2.03 1.75 1n7pA1 PRO 448 HD2 0.09 0.10 -0.88 -0.04 3.68 2.95 1n7pA1 PRO 448 HD3 -0.03 0.19 -0.28 -0.04 3.65 3.48 1n7pA1 LEU 449 H 0.05 0.41 -0.53 -0.55 8.37 7.75 1n7pA1 LEU 449 HA 0.03 0.06 0.54 -0.75 4.35 4.23 1n7pA1 LEU 449 HB2 -0.00 0.19 0.05 -0.04 1.64 1.84 1n7pA1 LEU 449 HB3 -0.05 -0.24 0.15 -0.04 1.64 1.45 1n7pA1 LEU 449 HG -0.01 0.16 -0.05 -0.04 1.64 1.69 1n7pA1 LEU 449 HD13 -0.22 -0.03 -0.02 -0.04 0.93 0.62 1n7pA1 LEU 449 HD23 -0.01 -0.03 -0.10 -0.04 0.89 0.71 1n7pA1 LEU 450 H -0.02 0.56 -0.45 -0.55 8.37 7.91 1n7pA1 LEU 450 HA -0.10 0.24 0.69 -0.75 4.35 4.43 1n7pA1 LEU 450 HB2 -0.04 0.19 0.10 -0.04 1.64 1.86 1n7pA1 LEU 450 HB3 -0.05 -0.12 -0.13 -0.04 1.64 1.29 1n7pA1 LEU 450 HG 0.01 0.04 -0.32 -0.04 1.64 1.33 1n7pA1 LEU 450 HD13 -0.00 -0.02 -0.20 -0.04 0.93 0.66 1n7pA1 LEU 450 HD23 -0.04 -0.00 -0.30 -0.04 0.89 0.50 1n7pA1 VAL 451 H -0.19 0.62 0.15 -0.55 8.24 8.27 1n7pA1 VAL 451 HA -0.18 0.19 0.84 -0.75 4.13 4.22 1n7pA1 VAL 451 HB -0.41 -0.05 0.01 -0.04 2.12 1.62 1n7pA1 VAL 451 HG13 0.06 -0.01 -0.16 -0.04 0.97 0.83 1n7pA1 VAL 451 HG23 -0.10 0.02 -0.31 -0.04 0.95 0.52 1n7pA1 ASN 452 H -0.07 0.24 0.04 -0.55 8.53 8.19 1n7pA1 ASN 452 HA 0.06 0.11 0.23 -0.75 4.76 4.40 1n7pA1 ASN 452 HB2 0.15 0.06 -0.21 -0.04 2.88 2.84 1n7pA1 ASN 452 HB3 0.17 -0.01 0.18 -0.04 2.79 3.09 1n7pA1 ASN 452 HD21 0.20 0.07 -0.17 -0.04 7.03 7.10 1n7pA1 ASN 452 HD22 0.20 0.00 -0.22 -0.04 7.74 7.67 1n7pA1 GLY 453 H 0.00 0.05 -0.46 -0.55 8.43 7.48 1n7pA1 GLY 453 HA2 0.06 0.02 0.11 -0.51 4.01 3.69 1n7pA1 GLY 453 HA3 0.22 0.11 0.37 -0.51 4.01 4.20 1n7pA1 GLU 454 H -0.13 0.44 -0.38 -0.55 8.60 7.98 1n7pA1 GLU 454 HA -0.43 0.07 0.52 -0.75 4.29 3.69 1n7pA1 GLU 454 HB2 -0.76 0.05 -0.10 -0.04 2.09 1.24 1n7pA1 GLU 454 HB3 -0.28 0.12 0.01 -0.04 1.99 1.81 1n7pA1 GLU 454 HG2 -0.15 0.03 -0.42 -0.04 2.34 1.75 1n7pA1 GLU 454 HG3 -0.27 -0.21 -0.23 -0.04 2.34 1.59 1n7pA1 LEU 455 H -0.15 0.52 0.11 -0.55 8.37 8.30 1n7pA1 LEU 455 HA -0.11 0.33 0.74 -0.75 4.35 4.56 1n7pA1 LEU 455 HB2 -0.06 -0.05 -0.05 -0.04 1.64 1.44 1n7pA1 LEU 455 HB3 -0.07 -0.02 0.06 -0.04 1.64 1.57 1n7pA1 LEU 455 HG -0.05 0.00 -0.29 -0.04 1.64 1.26 1n7pA1 LEU 455 HD13 0.01 0.02 -0.14 -0.04 0.93 0.78 1n7pA1 LEU 455 HD23 -0.01 -0.03 -0.19 -0.04 0.89 0.62 1n7pA1 MET 456 H -0.15 0.58 0.23 -0.55 8.47 8.58 1n7pA1 MET 456 HA -0.19 -0.02 0.16 -0.75 4.52 3.72 1n7pA1 MET 456 HB2 -0.13 0.02 0.15 -0.04 2.15 2.15 1n7pA1 MET 456 HB3 -0.21 -0.14 -0.06 -0.04 2.03 1.58 1n7pA1 MET 456 HG2 -0.47 -0.06 -0.08 -0.04 2.63 1.98 1n7pA1 MET 456 HG3 -0.29 0.26 -0.01 -0.04 2.56 2.47 1n7pA1 MET 456 HE3 0.03 0.03 -0.12 -0.04 2.10 2.00 1n7pA1 ASP 457 H -0.20 0.15 0.16 -0.55 8.40 7.97 1n7pA1 ASP 457 HA -0.06 0.10 0.24 -0.75 4.63 4.16 1n7pA1 ASP 457 HB2 0.09 0.02 0.09 -0.04 2.71 2.87 1n7pA1 ASP 457 HB3 0.16 0.03 0.04 -0.04 2.70 2.89 1n7pA1 MET 458 H -0.47 0.08 -0.34 -0.55 8.47 7.19 1n7pA1 MET 458 HA -0.05 0.15 0.39 -0.75 4.52 4.25 1n7pA1 MET 458 HB2 -0.02 0.11 0.06 -0.04 2.15 2.27 1n7pA1 MET 458 HB3 -0.20 0.01 -0.02 -0.04 2.03 1.78 1n7pA1 MET 458 HG2 -0.23 -0.11 -0.16 -0.04 2.63 2.09 1n7pA1 MET 458 HG3 -0.10 0.02 -0.38 -0.04 2.56 2.07 1n7pA1 MET 458 HE3 0.03 -0.01 -0.15 -0.04 2.10 1.92 1n7pA1 SER 459 H -0.14 0.49 -0.44 -0.55 8.46 7.82 1n7pA1 SER 459 HA -0.12 0.23 0.72 -0.75 4.49 4.56 1n7pA1 SER 459 HB2 -0.13 -0.27 0.10 -0.04 3.95 3.61 1n7pA1 SER 459 HB3 -0.14 0.07 -0.03 -0.04 3.93 3.79 1n7pA1 ARG 460 H -0.12 0.57 -0.25 -0.55 8.46 8.12 1n7pA1 ARG 460 HA 0.03 -0.02 0.32 -0.75 4.34 3.91 1n7pA1 ARG 460 HB2 -0.10 0.10 -0.04 -0.04 1.90 1.81 1n7pA1 ARG 460 HB3 -0.05 -0.04 -0.06 -0.04 1.80 1.60 1n7pA1 ARG 460 HG2 -0.05 -0.07 -0.35 -0.04 1.67 1.16 1n7pA1 ARG 460 HG3 -0.08 0.05 -0.23 -0.04 1.67 1.38 1n7pA1 ARG 460 HD2 -0.05 0.06 -0.09 -0.04 3.22 3.10 1n7pA1 ARG 460 HD3 -0.05 0.04 -0.22 -0.04 3.22 2.95 1n7pA1 GLY 461 H -0.25 0.23 -0.24 -0.55 8.43 7.62 1n7pA1 GLY 461 HA2 -0.36 0.14 0.32 -0.51 4.01 3.61 1n7pA1 GLY 461 HA3 -0.58 -0.06 0.33 -0.51 4.01 3.19 1n7pA1 ARG 462 H 0.13 0.10 0.20 -0.55 8.46 8.34 1n7pA1 ARG 462 HA -0.10 0.15 0.31 -0.75 4.34 3.95 1n7pA1 ARG 462 HB2 -0.01 0.01 -0.02 -0.04 1.90 1.84 1n7pA1 ARG 462 HB3 0.05 0.15 0.10 -0.04 1.80 2.05 1n7pA1 ARG 462 HG2 0.16 -0.07 0.02 -0.04 1.67 1.74 1n7pA1 ARG 462 HG3 0.03 -0.02 -0.24 -0.04 1.67 1.40 1n7pA1 ARG 462 HD2 0.08 0.13 0.01 -0.04 3.22 3.40 1n7pA1 ARG 462 HD3 0.17 -0.06 -0.07 -0.04 3.22 3.22 1n7pA1 SER 463 H -0.01 0.44 -0.28 -0.55 8.46 8.08 1n7pA1 SER 463 HA -0.07 0.01 0.38 -0.75 4.49 4.06 1n7pA1 SER 463 HB2 -0.05 0.25 0.07 -0.04 3.95 4.18 1n7pA1 SER 463 HB3 -0.08 0.02 0.08 -0.04 3.93 3.90 1n7pA1 ILE 464 H -0.22 0.36 -0.41 -0.55 8.25 7.43 1n7pA1 ILE 464 HA -0.19 0.07 0.45 -0.75 4.18 3.77 1n7pA1 ILE 464 HB -1.87 -0.04 0.02 -0.04 1.89 -0.04 1n7pA1 ILE 464 HG12 -0.45 0.27 0.03 -0.04 1.49 1.29 1n7pA1 ILE 464 HG13 -0.61 -0.03 -0.22 -0.04 1.21 0.31 1n7pA1 ILE 464 HG23 -0.38 0.00 0.00 -0.04 0.93 0.51 1n7pA1 ILE 464 HD13 -1.25 -0.01 -0.07 -0.04 0.88 -0.49 1n7pA1 SER 465 H -0.11 0.44 -0.43 -0.55 8.46 7.81 1n7pA1 SER 465 HA 0.27 0.12 0.42 -0.75 4.49 4.55 1n7pA1 SER 465 HB2 0.05 -0.01 0.06 -0.04 3.95 4.01 1n7pA1 SER 465 HB3 -0.10 -0.02 0.08 -0.04 3.93 3.85 1n7pA1 ARG 466 H 0.03 0.46 -0.59 -0.55 8.46 7.81 1n7pA1 ARG 466 HA -0.14 0.09 0.75 -0.75 4.34 4.28 1n7pA1 ARG 466 HB2 -0.11 0.23 0.12 -0.04 1.90 2.10 1n7pA1 ARG 466 HB3 -0.16 -0.11 -0.04 -0.04 1.80 1.44 1n7pA1 ARG 466 HG2 -0.08 -0.01 -0.10 -0.04 1.67 1.44 1n7pA1 ARG 466 HG3 -0.06 -0.01 -0.17 -0.04 1.67 1.40 1n7pA1 ARG 466 HD2 -0.10 0.06 0.01 -0.04 3.22 3.16 1n7pA1 ARG 466 HD3 -0.10 -0.01 -0.05 -0.04 3.22 3.01 1n7pA1 ALA 467 H -0.71 0.18 0.13 -0.55 8.40 7.45 1n7pA1 ALA 467 HA -2.24 0.09 0.28 -0.75 4.34 1.72 1n7pA1 ALA 467 HB3 -1.37 0.01 0.09 -0.04 1.41 0.11 1n7pA1 ASN 468 H -0.34 0.06 -0.23 -0.55 8.53 7.48 1n7pA1 ASN 468 HA -0.15 0.16 0.66 -0.75 4.76 4.67 1n7pA1 ASN 468 HB2 -0.10 0.07 0.13 -0.04 2.88 2.94 1n7pA1 ASN 468 HB3 -0.16 -0.03 0.05 -0.04 2.79 2.62 1n7pA1 ASN 468 HD21 -0.10 0.00 -0.06 -0.04 7.03 6.82 1n7pA1 ASN 468 HD22 -0.10 0.04 -0.02 -0.04 7.74 7.62 1n7pA1 SER 469 H -0.19 0.40 -0.56 -0.55 8.46 7.56 1n7pA1 SER 469 HA -0.08 0.17 0.83 -0.75 4.49 4.65 1n7pA1 SER 469 HB2 -0.10 0.10 0.06 -0.04 3.95 3.96 1n7pA1 SER 469 HB3 -0.08 -0.00 0.13 -0.04 3.93 3.93 1n7pA1 GLU 470 H -0.02 0.12 -0.09 -0.55 8.60 8.07 1n7pA1 GLU 470 HA 0.19 0.22 0.58 -0.75 4.29 4.53 1n7pA1 GLU 470 HB2 0.14 -0.03 0.12 -0.04 2.09 2.27 1n7pA1 GLU 470 HB3 0.25 -0.07 0.19 -0.04 1.99 2.32 1n7pA1 GLU 470 HG2 0.50 0.13 0.12 -0.04 2.34 3.05 1n7pA1 GLU 470 HG3 0.14 0.14 0.10 -0.04 2.34 2.68 1n7pA1 GLY 471 H 0.18 0.19 0.13 -0.55 8.43 8.39 1n7pA1 GLY 471 HA2 -0.00 0.17 0.16 -0.51 4.01 3.83 1n7pA1 GLY 471 HA3 0.01 0.10 0.31 -0.51 4.01 3.93 1n7pA1 HIS 472 H 0.09 0.06 -0.14 -0.55 8.41 7.87 1n7pA1 HIS 472 HA -0.04 0.33 0.74 -0.75 4.63 4.91 1n7pA1 HIS 472 HB2 -0.20 -0.08 -0.04 -0.04 3.26 2.90 1n7pA1 HIS 472 HB3 -0.11 0.05 -0.06 -0.04 3.20 3.04 1n7pA1 HIS 472 HD2 0.26 -0.11 -0.05 -0.04 6.97 7.02 1n7pA1 HIS 472 HE1 0.16 0.35 0.02 -0.04 7.75 8.24 1n7pA1 VAL 473 H -0.23 0.11 -0.26 -0.55 8.24 7.31 1n7pA1 VAL 473 HA -0.39 0.09 0.42 -0.75 4.13 3.49 1n7pA1 VAL 473 HB -0.12 0.05 0.02 -0.04 2.12 2.02 1n7pA1 VAL 473 HG13 -0.03 0.07 -0.03 -0.04 0.97 0.93 1n7pA1 VAL 473 HG23 -0.29 -0.03 -0.06 -0.04 0.95 0.52 1n7pA1 ALA 474 H -0.09 0.53 -0.16 -0.55 8.40 8.14 1n7pA1 ALA 474 HA -0.07 0.02 0.35 -0.75 4.34 3.89 1n7pA1 ALA 474 HB3 -0.06 0.05 0.01 -0.04 1.41 1.37 1n7pA1 ALA 475 H -0.07 0.33 -0.41 -0.55 8.40 7.70 1n7pA1 ALA 475 HA -0.04 -0.02 0.31 -0.75 4.34 3.83 1n7pA1 ALA 475 HB3 -0.04 0.03 -0.02 -0.04 1.41 1.34 1n7pA1 VAL 476 H -0.02 0.44 -0.42 -0.55 8.24 7.69 1n7pA1 VAL 476 HA -0.00 -0.02 0.37 -0.75 4.13 3.72 1n7pA1 VAL 476 HB 0.05 0.15 0.08 -0.04 2.12 2.36 1n7pA1 VAL 476 HG13 -0.00 -0.01 -0.12 -0.04 0.97 0.79 1n7pA1 VAL 476 HG23 0.18 0.05 0.02 -0.04 0.95 1.16 1n7pA1 GLU 477 H -0.04 0.35 -0.23 -0.55 8.60 8.13 1n7pA1 GLU 477 HA -0.06 0.05 0.49 -0.75 4.29 4.02 1n7pA1 GLU 477 HB2 -0.07 0.19 0.08 -0.04 2.09 2.25 1n7pA1 GLU 477 HB3 -0.08 -0.08 -0.08 -0.04 1.99 1.71 1n7pA1 GLU 477 HG2 -0.06 -0.01 0.00 -0.04 2.34 2.23 1n7pA1 GLU 477 HG3 -0.06 0.08 0.04 -0.04 2.34 2.37 1n7pA1 VAL 478 H -0.08 0.36 -0.28 -0.55 8.24 7.69 1n7pA1 VAL 478 HA -0.24 0.02 0.47 -0.75 4.13 3.63 1n7pA1 VAL 478 HB -0.08 0.18 0.07 -0.04 2.12 2.25 1n7pA1 VAL 478 HG13 -0.34 -0.01 -0.20 -0.04 0.97 0.37 1n7pA1 VAL 478 HG23 -0.06 0.01 -0.08 -0.04 0.95 0.78 1n7pA1 LEU 479 H -0.06 0.64 -0.01 -0.55 8.37 8.39 1n7pA1 LEU 479 HA -0.06 -0.00 0.27 -0.75 4.35 3.81 1n7pA1 LEU 479 HB2 -0.03 0.04 0.09 -0.04 1.64 1.69 1n7pA1 LEU 479 HB3 -0.04 -0.02 -0.03 -0.04 1.64 1.51 1n7pA1 LEU 479 HG -0.04 0.09 -0.04 -0.04 1.64 1.61 1n7pA1 LEU 479 HD13 -0.00 -0.02 -0.19 -0.04 0.93 0.68 1n7pA1 LEU 479 HD23 -0.04 -0.01 -0.06 -0.04 0.89 0.74 1n7pA1 ARG 480 H -0.04 0.69 -0.21 -0.55 8.46 8.34 1n7pA1 ARG 480 HA 0.01 0.02 0.43 -0.75 4.34 4.05 1n7pA1 ARG 480 HB2 -0.04 -0.09 0.06 -0.04 1.90 1.79 1n7pA1 ARG 480 HB3 -0.04 0.06 0.08 -0.04 1.80 1.86 1n7pA1 ARG 480 HG2 -0.05 0.15 0.11 -0.04 1.67 1.84 1n7pA1 ARG 480 HG3 -0.05 -0.05 -0.12 -0.04 1.67 1.41 1n7pA1 ARG 480 HD2 -0.05 -0.14 0.03 -0.04 3.22 3.02 1n7pA1 ARG 480 HD3 -0.04 0.13 -0.09 -0.04 3.22 3.18 1n7pA1 GLY 481 H -0.07 0.38 -0.35 -0.55 8.43 7.84 1n7pA1 GLY 481 HA2 -0.03 0.05 0.45 -0.51 4.01 3.97 1n7pA1 GLY 481 HA3 -0.07 0.05 0.15 -0.51 4.01 3.63 1n7pA1 ILE 482 H -0.07 0.64 -0.08 -0.55 8.25 8.18 1n7pA1 ILE 482 HA -0.01 -0.01 0.38 -0.75 4.18 3.78 1n7pA1 ILE 482 HB -0.04 0.13 0.08 -0.04 1.89 2.02 1n7pA1 ILE 482 HG12 -0.05 -0.07 -0.02 -0.04 1.49 1.30 1n7pA1 ILE 482 HG13 -0.15 0.13 -0.01 -0.04 1.21 1.14 1n7pA1 ILE 482 HG23 -0.00 -0.02 -0.15 -0.04 0.93 0.72 1n7pA1 ILE 482 HD13 -0.06 -0.02 -0.15 -0.04 0.88 0.62 1n7pA1 HIS 483 H 0.08 0.53 -0.29 -0.55 8.41 8.19 1n7pA1 HIS 483 HA -0.02 0.00 0.34 -0.75 4.63 4.20 1n7pA1 HIS 483 HB2 -0.04 0.12 0.08 -0.04 3.26 3.37 1n7pA1 HIS 483 HB3 -0.04 0.06 0.05 -0.04 3.20 3.23 1n7pA1 HIS 483 HD2 -0.06 -0.02 -0.12 -0.04 6.97 6.72 1n7pA1 HIS 483 HE1 -0.02 0.00 -0.04 -0.04 7.75 7.65 1n7pA1 ARG 484 H 0.03 0.49 -0.21 -0.55 8.46 8.21 1n7pA1 ARG 484 HA -0.04 0.01 0.50 -0.75 4.34 4.05 1n7pA1 ARG 484 HB2 0.00 0.11 0.13 -0.04 1.90 2.10 1n7pA1 ARG 484 HB3 -0.00 0.06 -0.02 -0.04 1.80 1.79 1n7pA1 ARG 484 HG2 -0.07 -0.07 -0.03 -0.04 1.67 1.46 1n7pA1 ARG 484 HG3 -0.06 0.14 0.05 -0.04 1.67 1.77 1n7pA1 ARG 484 HD2 -0.01 -0.01 -0.14 -0.04 3.22 3.01 1n7pA1 ARG 484 HD3 -0.03 0.03 -0.19 -0.04 3.22 2.99 1n7pA1 ILE 485 H 0.03 0.51 -0.22 -0.55 8.25 8.02 1n7pA1 ILE 485 HA 0.03 0.02 0.38 -0.75 4.18 3.86 1n7pA1 ILE 485 HB 0.03 0.12 0.13 -0.04 1.89 2.12 1n7pA1 ILE 485 HG12 -0.02 -0.05 -0.04 -0.04 1.49 1.34 1n7pA1 ILE 485 HG13 0.02 0.08 0.02 -0.04 1.21 1.29 1n7pA1 ILE 485 HG23 -0.02 -0.03 -0.17 -0.04 0.93 0.67 1n7pA1 ILE 485 HD13 -0.00 -0.03 -0.13 -0.04 0.88 0.68 1n7pA1 ALA 486 H 0.09 0.59 -0.15 -0.55 8.40 8.39 1n7pA1 ALA 486 HA 0.09 -0.06 0.37 -0.75 4.34 3.98 1n7pA1 ALA 486 HB3 0.10 0.04 0.04 -0.04 1.41 1.55 1n7pA1 ASP 487 H 0.08 0.46 -0.28 -0.55 8.40 8.10 1n7pA1 ASP 487 HA 0.04 -0.01 0.35 -0.75 4.63 4.26 1n7pA1 ASP 487 HB2 -0.03 0.04 0.12 -0.04 2.71 2.80 1n7pA1 ASP 487 HB3 -0.01 0.14 0.08 -0.04 2.70 2.87 1n7pA1 MET 488 H 0.04 0.35 -0.31 -0.55 8.47 8.00 1n7pA1 MET 488 HA 0.03 0.12 0.84 -0.75 4.52 4.76 1n7pA1 MET 488 HB2 0.04 -0.09 0.12 -0.04 2.15 2.18 1n7pA1 MET 488 HB3 0.04 -0.00 0.04 -0.04 2.03 2.06 1n7pA1 MET 488 HG2 0.05 0.15 0.10 -0.04 2.63 2.89 1n7pA1 MET 488 HG3 0.05 -0.06 -0.20 -0.04 2.56 2.31 1n7pA1 MET 488 HE3 0.05 -0.04 -0.15 -0.04 2.10 1.92 1n7pA1 SER 489 H 0.06 0.38 -0.33 -0.55 8.46 8.02 1n7pA1 SER 489 HA 0.06 0.06 0.74 -0.75 4.49 4.59 1n7pA1 SER 489 HB2 0.06 0.13 0.04 -0.04 3.95 4.14 1n7pA1 SER 489 HB3 0.01 -0.25 0.07 -0.04 3.93 3.72 1n7pA1 GLU 490 H -0.02 0.12 0.18 -0.55 8.60 8.34 1n7pA1 GLU 490 HA -0.00 0.26 0.77 -0.75 4.29 4.57 1n7pA1 GLU 490 HB2 -0.01 -0.05 0.08 -0.04 2.09 2.06 1n7pA1 GLU 490 HB3 -0.00 0.17 -0.08 -0.04 1.99 2.04 1n7pA1 GLU 490 HG2 -0.01 0.02 -0.03 -0.04 2.34 2.28 1n7pA1 GLU 490 HG3 -0.03 -0.10 -0.04 -0.04 2.34 2.13 1n7pA1 GLY 491 H -0.01 0.23 0.14 -0.55 8.43 8.24 1n7pA1 GLY 491 HA2 -0.02 0.12 0.35 -0.51 4.01 3.95 1n7pA1 GLY 491 HA3 -0.03 0.02 0.27 -0.51 4.01 3.76 1n7pA1 GLU 492 H -0.04 0.16 0.22 -0.55 8.60 8.40 1n7pA1 GLU 492 HA -0.03 0.09 0.41 -0.75 4.29 4.00 1n7pA1 GLU 492 HB2 -0.04 -0.00 0.18 -0.04 2.09 2.18 1n7pA1 GLU 492 HB3 -0.06 0.05 0.04 -0.04 1.99 1.98 1n7pA1 GLU 492 HG2 -0.03 0.04 0.03 -0.04 2.34 2.33 1n7pA1 GLU 492 HG3 -0.03 -0.01 0.10 -0.04 2.34 2.36 1n7pA1 THR 493 H -0.09 0.18 0.00 -0.55 8.28 7.82 1n7pA1 THR 493 HA -0.15 0.07 0.51 -0.75 4.39 4.06 1n7pA1 THR 493 HB -0.16 0.09 0.16 -0.04 4.32 4.37 1n7pA1 THR 493 HG23 -0.60 0.02 -0.06 -0.04 1.22 0.54 1n7pA1 LYS 494 H -0.05 0.31 -0.42 -0.55 8.42 7.71 1n7pA1 LYS 494 HA 0.01 0.09 0.41 -0.75 4.32 4.08 1n7pA1 LYS 494 HB2 0.01 0.03 -0.46 -0.04 1.87 1.39 1n7pA1 LYS 494 HB3 -0.01 0.01 -0.23 -0.04 1.79 1.52 1n7pA1 LYS 494 HG2 0.01 -0.08 -0.36 -0.04 1.46 1.00 1n7pA1 LYS 494 HG3 0.03 0.09 -0.15 -0.04 1.46 1.40 1n7pA1 LYS 494 HD2 0.02 0.32 -0.05 -0.04 1.69 1.94 1n7pA1 LYS 494 HD3 0.01 -0.18 -0.07 -0.04 1.68 1.41 1n7pA1 LYS 494 HE2 0.02 -0.08 -0.10 -0.04 2.99 2.80 1n7pA1 LYS 494 HE3 0.04 -0.02 -0.12 -0.04 2.99 2.84 1n7pA1 GLN 495 H -0.02 0.45 -0.23 -0.55 8.47 8.12 1n7pA1 GLN 495 HA -0.01 0.05 0.29 -0.75 4.36 3.94 1n7pA1 GLN 495 HB2 -0.02 -0.01 0.15 -0.04 2.15 2.22 1n7pA1 GLN 495 HB3 -0.02 -0.00 -0.03 -0.04 2.02 1.93 1n7pA1 GLN 495 HG2 -0.01 0.04 0.00 -0.04 2.40 2.39 1n7pA1 GLN 495 HG3 -0.01 0.01 -0.01 -0.04 2.39 2.34 1n7pA1 GLN 495 HE21 -0.01 -0.04 -0.04 -0.04 6.97 6.83 1n7pA1 GLN 495 HE22 -0.02 0.03 -0.01 -0.04 7.69 7.65 1n7pA1 ARG 496 H -0.03 0.50 -0.17 -0.55 8.46 8.21 1n7pA1 ARG 496 HA -0.02 0.04 0.40 -0.75 4.34 4.00 1n7pA1 ARG 496 HB2 -0.03 -0.04 0.08 -0.04 1.90 1.87 1n7pA1 ARG 496 HB3 -0.03 0.04 0.14 -0.04 1.80 1.90 1n7pA1 ARG 496 HG2 -0.06 0.17 0.19 -0.04 1.67 1.94 1n7pA1 ARG 496 HG3 -0.03 -0.03 -0.15 -0.04 1.67 1.42 1n7pA1 ARG 496 HD2 -0.04 -0.03 -0.01 -0.04 3.22 3.10 1n7pA1 ARG 496 HD3 -0.06 -0.01 -0.03 -0.04 3.22 3.07 1n7pA1 LEU 497 H -0.02 0.47 -0.22 -0.55 8.37 8.05 1n7pA1 LEU 497 HA -0.01 0.01 0.48 -0.75 4.35 4.08 1n7pA1 LEU 497 HB2 0.03 0.10 0.12 -0.04 1.64 1.85 1n7pA1 LEU 497 HB3 0.03 -0.02 -0.02 -0.04 1.64 1.59 1n7pA1 LEU 497 HG 0.03 0.17 0.06 -0.04 1.64 1.85 1n7pA1 LEU 497 HD13 0.23 -0.01 -0.11 -0.04 0.93 1.00 1n7pA1 LEU 497 HD23 0.07 -0.02 -0.04 -0.04 0.89 0.85 1n7pA1 GLN 498 H -0.02 0.63 -0.07 -0.55 8.47 8.46 1n7pA1 GLN 498 HA -0.17 -0.02 0.50 -0.75 4.36 3.92 1n7pA1 GLN 498 HB2 -0.03 0.15 0.16 -0.04 2.15 2.39 1n7pA1 GLN 498 HB3 -0.05 -0.02 -0.02 -0.04 2.02 1.89 1n7pA1 GLN 498 HG2 0.01 -0.05 0.00 -0.04 2.40 2.32 1n7pA1 GLN 498 HG3 0.01 0.19 0.02 -0.04 2.39 2.58 1n7pA1 GLN 498 HE21 0.03 -0.04 -0.08 -0.04 6.97 6.85 1n7pA1 GLN 498 HE22 0.08 -0.01 -0.06 -0.04 7.69 7.67 1n7pA1 SER 499 H -0.04 0.44 -0.26 -0.55 8.46 8.06 1n7pA1 SER 499 HA -0.04 0.19 0.41 -0.75 4.49 4.30 1n7pA1 SER 499 HB2 -0.02 0.04 0.17 -0.04 3.95 4.10 1n7pA1 SER 499 HB3 -0.02 -0.10 -0.03 -0.04 3.93 3.74 1n7pA1 LEU 500 H -0.04 0.50 -0.11 -0.55 8.37 8.17 1n7pA1 LEU 500 HA -0.03 0.01 0.48 -0.75 4.35 4.06 1n7pA1 LEU 500 HB2 -0.02 0.03 0.12 -0.04 1.64 1.72 1n7pA1 LEU 500 HB3 -0.03 0.10 0.18 -0.04 1.64 1.85 1n7pA1 LEU 500 HG -0.03 -0.03 -0.26 -0.04 1.64 1.28 1n7pA1 LEU 500 HD13 -0.03 -0.01 0.01 -0.04 0.93 0.86 1n7pA1 LEU 500 HD23 -0.01 -0.01 -0.06 -0.04 0.89 0.77 1n7pA1 VAL 501 H -0.09 0.60 -0.12 -0.55 8.24 8.09 1n7pA1 VAL 501 HA -0.07 -0.04 0.40 -0.75 4.13 3.67 1n7pA1 VAL 501 HB -0.27 0.16 0.12 -0.04 2.12 2.09 1n7pA1 VAL 501 HG13 -0.18 -0.03 -0.12 -0.04 0.97 0.60 1n7pA1 VAL 501 HG23 -0.10 0.02 -0.03 -0.04 0.95 0.80 1n7pA1 LYS 502 H -0.10 0.56 -0.23 -0.55 8.42 8.10 1n7pA1 LYS 502 HA -0.07 -0.04 0.24 -0.75 4.32 3.70 1n7pA1 LYS 502 HB2 -0.08 0.08 0.03 -0.04 1.87 1.86 1n7pA1 LYS 502 HB3 -0.04 0.12 0.09 -0.04 1.79 1.91 1n7pA1 LYS 502 HG2 -0.02 -0.08 -0.20 -0.04 1.46 1.12 1n7pA1 LYS 502 HG3 -0.03 -0.11 -0.08 -0.04 1.46 1.21 1n7pA1 LYS 502 HD2 -0.02 0.06 -0.11 -0.04 1.69 1.58 1n7pA1 LYS 502 HD3 -0.02 0.09 -0.30 -0.04 1.68 1.41 1n7pA1 LYS 502 HE2 -0.00 -0.13 -0.08 -0.04 2.99 2.73 1n7pA1 LYS 502 HE3 -0.00 -0.06 0.01 -0.04 2.99 2.90 1n7pA1 THR 503 H -0.03 0.64 -0.10 -0.55 8.28 8.24 1n7pA1 THR 503 HA -0.00 0.03 0.34 -0.75 4.39 4.01 1n7pA1 THR 503 HB -0.01 -0.05 0.07 -0.04 4.32 4.29 1n7pA1 THR 503 HG23 -0.01 0.04 0.03 -0.04 1.22 1.24 1n7pA1 ILE 504 H -0.03 0.51 -0.30 -0.55 8.25 7.88 1n7pA1 ILE 504 HA -0.01 -0.03 0.37 -0.75 4.18 3.75 1n7pA1 ILE 504 HB -0.03 0.14 0.12 -0.04 1.89 2.08 1n7pA1 ILE 504 HG12 -0.04 -0.08 -0.05 -0.04 1.49 1.29 1n7pA1 ILE 504 HG13 -0.03 0.12 0.03 -0.04 1.21 1.29 1n7pA1 ILE 504 HG23 -0.01 -0.06 -0.20 -0.04 0.93 0.62 1n7pA1 ILE 504 HD13 -0.04 -0.02 -0.09 -0.04 0.88 0.70 1n7pA1 VAL 505 H -0.03 0.66 -0.06 -0.55 8.24 8.26 1n7pA1 VAL 505 HA 0.01 -0.03 0.36 -0.75 4.13 3.71 1n7pA1 VAL 505 HB -0.04 0.16 0.10 -0.04 2.12 2.29 1n7pA1 VAL 505 HG13 -0.06 -0.03 -0.11 -0.04 0.97 0.73 1n7pA1 VAL 505 HG23 -0.06 0.01 0.00 -0.04 0.95 0.86 1n7pA1 GLN 506 H -0.00 0.57 -0.24 -0.55 8.47 8.25 1n7pA1 GLN 506 HA 0.02 0.04 0.38 -0.75 4.36 4.03 1n7pA1 GLN 506 HB2 0.01 0.08 0.06 -0.04 2.15 2.25 1n7pA1 GLN 506 HB3 0.02 -0.06 0.02 -0.04 2.02 1.95 1n7pA1 GLN 506 HG2 0.01 -0.08 -0.02 -0.04 2.40 2.28 1n7pA1 GLN 506 HG3 -0.00 0.11 0.04 -0.04 2.39 2.49 1n7pA1 GLN 506 HE21 0.01 0.06 0.00 -0.04 6.97 7.00 1n7pA1 GLN 506 HE22 0.02 -0.07 0.00 -0.04 7.69 7.60 1n7pA1 SER 507 H 0.03 0.37 -0.45 -0.55 8.46 7.86 1n7pA1 SER 507 HA 0.05 0.04 0.48 -0.75 4.49 4.31 1n7pA1 SER 507 HB2 0.05 -0.11 0.12 -0.04 3.95 3.97 1n7pA1 SER 507 HB3 0.03 0.14 0.12 -0.04 3.93 4.17 1n7pA1 ASP 508 H 0.06 0.43 -0.52 -0.55 8.40 7.82 1n7pA1 ASP 508 HA 0.14 0.07 0.61 -0.75 4.63 4.69 1n7pA1 ASP 508 HB2 0.14 0.02 -0.07 -0.04 2.71 2.76 1n7pA1 ASP 508 HB3 0.10 0.13 0.24 -0.04 2.70 3.12 1n7pA1 SER 509 H 0.10 0.27 0.20 -0.55 8.46 8.48 1n7pA1 SER 509 HA 0.04 0.19 0.57 -0.75 4.49 4.54 1n7pA1 SER 509 HB2 0.05 -0.04 0.12 -0.04 3.95 4.05 1n7pA1 SER 509 HB3 0.06 0.08 0.06 -0.04 3.93 4.08 1n7pA1 TYR 510 H 0.11 0.04 -0.25 -0.55 8.29 7.64 1n7pA1 TYR 510 HA -0.03 0.18 0.71 -0.75 4.56 4.66 1n7pA1 TYR 510 HB2 -0.06 -0.06 -0.04 -0.04 3.06 2.87 1n7pA1 TYR 510 HB3 -0.31 0.05 0.02 -0.04 2.98 2.70 1n7pA1 TYR 510 HD2 -0.58 0.05 -0.10 -0.04 7.15 6.48 1n7pA1 TYR 510 HE2 0.06 -0.05 -0.06 -0.04 6.85 6.76 1n7pA1 TYR 511 H -0.01 0.14 -0.05 -0.55 8.29 7.82 1n7pA1 TYR 511 HA -0.38 0.14 0.82 -0.75 4.56 4.39 1n7pA1 TYR 511 HB2 -0.27 -0.08 -0.11 -0.04 3.06 2.55 1n7pA1 TYR 511 HB3 -0.03 0.09 -0.03 -0.04 2.98 2.97 1n7pA1 TYR 511 HD2 -0.09 0.03 -0.20 -0.04 7.15 6.84 1n7pA1 TYR 511 HE2 -0.02 0.02 -0.12 -0.04 6.85 6.68 1n7pA1 ASP 512 H -0.62 0.16 0.07 -0.55 8.40 7.45 1n7pA1 ASP 512 HA -0.16 0.19 0.65 -0.75 4.63 4.55 1n7pA1 ASP 512 HB2 -0.17 0.11 0.04 -0.04 2.71 2.66 1n7pA1 ASP 512 HB3 -0.33 -0.02 0.18 -0.04 2.70 2.49 1n7pA1 VAL 513 H -0.15 0.33 0.13 -0.55 8.24 8.00 1n7pA1 VAL 513 HA -0.05 0.08 0.16 -0.75 4.13 3.57 1n7pA1 VAL 513 HB -0.11 0.12 0.10 -0.04 2.12 2.19 1n7pA1 VAL 513 HG13 -0.59 0.01 -0.08 -0.04 0.97 0.26 1n7pA1 VAL 513 HG23 -0.12 0.00 -0.07 -0.04 0.95 0.73 1n7pA1 PHE 514 H -0.09 0.08 -0.35 -0.55 8.34 7.42 1n7pA1 PHE 514 HA -0.04 0.07 0.40 -0.75 4.62 4.30 1n7pA1 PHE 514 HB2 -0.08 -0.00 -0.00 -0.04 3.15 3.03 1n7pA1 PHE 514 HB3 -0.04 0.04 0.03 -0.04 3.06 3.06 1n7pA1 PHE 514 HD2 -0.03 0.00 -0.00 -0.04 7.28 7.20 1n7pA1 PHE 514 HE2 -0.01 0.09 -0.00 -0.04 7.38 7.41 1n7pA1 PHE 514 HZ -0.01 0.04 -0.13 -0.04 7.32 7.19 1n7pA1 LYS 515 H -0.16 0.51 -0.28 -0.55 8.42 7.94 1n7pA1 LYS 515 HA -0.00 0.05 0.37 -0.75 4.32 3.98 1n7pA1 LYS 515 HB2 -0.42 0.10 0.05 -0.04 1.87 1.56 1n7pA1 LYS 515 HB3 -0.00 -0.03 0.07 -0.04 1.79 1.79 1n7pA1 LYS 515 HG2 -0.07 -0.00 0.03 -0.04 1.46 1.37 1n7pA1 LYS 515 HG3 -0.19 -0.04 0.06 -0.04 1.46 1.24 1n7pA1 LYS 515 HD2 -0.36 -0.05 0.05 -0.04 1.69 1.29 1n7pA1 LYS 515 HD3 -0.05 -0.00 0.03 -0.04 1.68 1.61 1n7pA1 LYS 515 HE2 -0.07 0.01 0.01 -0.04 2.99 2.90 1n7pA1 LYS 515 HE3 -0.15 -0.02 0.04 -0.04 2.99 2.81 1n7pA1 ASN 516 H 0.03 0.43 -0.44 -0.55 8.53 8.01 1n7pA1 ASN 516 HA 0.04 0.19 0.70 -0.75 4.76 4.94 1n7pA1 ASN 516 HB2 0.22 -0.07 -0.14 -0.04 2.88 2.84 1n7pA1 ASN 516 HB3 0.11 -0.00 0.07 -0.04 2.79 2.92 1n7pA1 ASN 516 HD21 -0.03 -0.07 -0.04 -0.04 7.03 6.85 1n7pA1 ASN 516 HD22 0.00 0.24 0.06 -0.04 7.74 8.00 1n7pA1 LEU 517 H 0.03 0.48 -0.16 -0.55 8.37 8.17 1n7pA1 LEU 517 HA -0.03 0.10 0.78 -0.75 4.35 4.45 1n7pA1 LEU 517 HB2 0.08 0.02 0.10 -0.04 1.64 1.80 1n7pA1 LEU 517 HB3 0.01 -0.10 -0.13 -0.04 1.64 1.37 1n7pA1 LEU 517 HG -0.11 0.15 -0.23 -0.04 1.64 1.41 1n7pA1 LEU 517 HD13 -0.27 0.00 -0.18 -0.04 0.93 0.44 1n7pA1 LEU 517 HD23 -0.06 0.03 -0.10 -0.04 0.89 0.73 1n7pA1 LYS 518 H -0.06 0.15 -0.00 -0.55 8.42 7.96 1n7pA1 LYS 518 HA -0.06 0.21 0.49 -0.75 4.32 4.20 1n7pA1 LYS 518 HB2 -0.08 0.02 -0.02 -0.04 1.87 1.75 1n7pA1 LYS 518 HB3 -0.08 0.01 0.09 -0.04 1.79 1.77 1n7pA1 LYS 518 HG2 -0.04 0.04 -0.39 -0.04 1.46 1.03 1n7pA1 LYS 518 HG3 -0.05 -0.01 -0.11 -0.04 1.46 1.26 1n7pA1 LYS 518 HD2 -0.02 0.09 -0.40 -0.04 1.69 1.32 1n7pA1 LYS 518 HD3 -0.01 0.07 -0.27 -0.04 1.68 1.43 1n7pA1 LYS 518 HE2 -0.04 -0.04 -0.05 -0.04 2.99 2.82 1n7pA1 LYS 518 HE3 -0.04 -0.03 -0.05 -0.04 2.99 2.83 1n7pA1 THR 519 H -0.09 0.10 -0.08 -0.55 8.28 7.65 1n7pA1 THR 519 HA -0.33 0.28 0.50 -0.75 4.39 4.09 1n7pA1 THR 519 HB -0.15 0.03 -0.23 -0.04 4.32 3.92 1n7pA1 THR 519 HG23 -0.16 0.10 -0.23 -0.04 1.22 0.89 1n7pA1 TYR 520 H -0.31 0.63 0.14 -0.55 8.29 8.21 1n7pA1 TYR 520 HA 0.05 0.04 0.46 -0.75 4.56 4.37 1n7pA1 TYR 520 HB2 0.18 0.18 0.08 -0.04 3.06 3.46 1n7pA1 TYR 520 HB3 0.14 -0.02 -0.06 -0.04 2.98 2.99 1n7pA1 TYR 520 HD2 0.13 -0.02 -0.26 -0.04 7.15 6.96 1n7pA1 TYR 520 HE2 0.07 0.03 -0.06 -0.04 6.85 6.85 1n7pA1 LYS 521 H 0.03 0.21 -0.13 -0.55 8.42 7.97 1n7pA1 LYS 521 HA -0.34 0.09 0.52 -0.75 4.32 3.83 1n7pA1 LYS 521 HB2 -0.18 0.13 0.15 -0.04 1.87 1.93 1n7pA1 LYS 521 HB3 -0.15 0.06 0.04 -0.04 1.79 1.70 1n7pA1 LYS 521 HG2 -0.52 -0.08 0.09 -0.04 1.46 0.91 1n7pA1 LYS 521 HG3 -0.74 0.03 0.01 -0.04 1.46 0.72 1n7pA1 LYS 521 HD2 -0.14 0.05 -0.08 -0.04 1.69 1.48 1n7pA1 LYS 521 HD3 -0.20 -0.05 -0.11 -0.04 1.68 1.28 1n7pA1 LYS 521 HE2 -0.10 0.02 -0.05 -0.04 2.99 2.82 1n7pA1 LYS 521 HE3 -0.14 -0.02 -0.04 -0.04 2.99 2.75 1n7pA1 ASP 522 H -0.08 0.11 -0.34 -0.55 8.40 7.55 1n7pA1 ASP 522 HA -0.12 0.11 0.33 -0.75 4.63 4.19 1n7pA1 ASP 522 HB2 -0.05 -0.02 0.03 -0.04 2.71 2.63 1n7pA1 ASP 522 HB3 -0.06 0.02 -0.02 -0.04 2.70 2.60 1n7pA1 ILE 523 H 0.04 0.38 -0.26 -0.55 8.25 7.86 1n7pA1 ILE 523 HA 0.25 0.03 0.43 -0.75 4.18 4.13 1n7pA1 ILE 523 HB 0.16 0.09 0.11 -0.04 1.89 2.20 1n7pA1 ILE 523 HG12 0.29 -0.03 -0.01 -0.04 1.49 1.70 1n7pA1 ILE 523 HG13 0.11 0.08 -0.05 -0.04 1.21 1.31 1n7pA1 ILE 523 HG23 0.11 -0.04 -0.16 -0.04 0.93 0.79 1n7pA1 ILE 523 HD13 0.16 0.02 -0.17 -0.04 0.88 0.85 1n7pA1 SER 524 H 0.01 0.59 -0.15 -0.55 8.46 8.37 1n7pA1 SER 524 HA 0.02 -0.04 0.32 -0.75 4.49 4.03 1n7pA1 SER 524 HB2 -0.02 0.04 0.12 -0.04 3.95 4.04 1n7pA1 SER 524 HB3 -0.15 0.08 0.20 -0.04 3.93 4.01 1n7pA1 LEU 525 H -0.11 0.62 -0.16 -0.55 8.37 8.17 1n7pA1 LEU 525 HA -0.10 0.02 0.35 -0.75 4.35 3.87 1n7pA1 LEU 525 HB2 -0.30 0.08 0.09 -0.04 1.64 1.47 1n7pA1 LEU 525 HB3 -0.79 -0.02 -0.10 -0.04 1.64 0.68 1n7pA1 LEU 525 HG -0.22 0.04 0.02 -0.04 1.64 1.44 1n7pA1 LEU 525 HD13 -0.28 -0.01 -0.14 -0.04 0.93 0.45 1n7pA1 LEU 525 HD23 -0.18 -0.00 -0.02 -0.04 0.89 0.65 1n7pA1 MET 526 H 0.01 0.44 -0.28 -0.55 8.47 8.10 1n7pA1 MET 526 HA 0.22 0.04 0.40 -0.75 4.52 4.43 1n7pA1 MET 526 HB2 -0.02 0.06 0.08 -0.04 2.15 2.23 1n7pA1 MET 526 HB3 0.05 0.07 0.12 -0.04 2.03 2.23 1n7pA1 MET 526 HG2 -0.58 -0.07 -0.09 -0.04 2.63 1.85 1n7pA1 MET 526 HG3 -0.17 -0.02 -0.19 -0.04 2.56 2.14 1n7pA1 MET 526 HE3 -0.03 -0.00 -0.10 -0.04 2.10 1.93 1n7pA1 GLN 527 H 0.18 0.59 -0.09 -0.55 8.47 8.61 1n7pA1 GLN 527 HA 0.20 -0.00 0.40 -0.75 4.36 4.20 1n7pA1 GLN 527 HB2 0.07 0.13 0.12 -0.04 2.15 2.43 1n7pA1 GLN 527 HB3 0.04 -0.04 -0.02 -0.04 2.02 1.96 1n7pA1 GLN 527 HG2 0.03 -0.05 0.02 -0.04 2.40 2.36 1n7pA1 GLN 527 HG3 0.28 0.10 0.04 -0.04 2.39 2.78 1n7pA1 GLN 527 HE21 -0.18 -0.19 -0.02 -0.04 6.97 6.54 1n7pA1 GLN 527 HE22 -0.34 0.01 -0.00 -0.04 7.69 7.32 1n7pA1 SER 528 H 0.06 0.50 -0.20 -0.55 8.46 8.27 1n7pA1 SER 528 HA 0.03 0.02 0.40 -0.75 4.49 4.18 1n7pA1 SER 528 HB2 0.02 -0.05 0.04 -0.04 3.95 3.92 1n7pA1 SER 528 HB3 0.02 -0.01 0.07 -0.04 3.93 3.96 1n7pA1 LEU 529 H 0.12 0.48 -0.18 -0.55 8.37 8.24 1n7pA1 LEU 529 HA 0.04 -0.00 0.43 -0.75 4.35 4.06 1n7pA1 LEU 529 HB2 0.18 0.02 0.12 -0.04 1.64 1.92 1n7pA1 LEU 529 HB3 0.09 0.11 0.18 -0.04 1.64 1.98 1n7pA1 LEU 529 HG -0.06 0.03 -0.30 -0.04 1.64 1.26 1n7pA1 LEU 529 HD13 -0.10 0.02 0.01 -0.04 0.93 0.82 1n7pA1 LEU 529 HD23 -0.43 -0.02 -0.06 -0.04 0.89 0.34 1n7pA1 LEU 530 H 0.06 0.53 -0.10 -0.55 8.37 8.32 1n7pA1 LEU 530 HA 0.01 0.08 0.39 -0.75 4.35 4.08 1n7pA1 LEU 530 HB2 0.08 0.03 0.06 -0.04 1.64 1.78 1n7pA1 LEU 530 HB3 0.05 -0.04 0.01 -0.04 1.64 1.61 1n7pA1 LEU 530 HG 0.03 0.14 0.04 -0.04 1.64 1.80 1n7pA1 LEU 530 HD13 0.07 -0.04 -0.08 -0.04 0.93 0.85 1n7pA1 LEU 530 HD23 -0.01 -0.01 -0.04 -0.04 0.89 0.79 1n7pA1 SER 531 H 0.04 0.31 -0.39 -0.55 8.46 7.87 1n7pA1 SER 531 HA 0.02 0.14 0.74 -0.75 4.49 4.64 1n7pA1 SER 531 HB2 0.01 -0.10 0.11 -0.04 3.95 3.93 1n7pA1 SER 531 HB3 0.02 -0.03 0.03 -0.04 3.93 3.91 1n7pA1 ASP 532 H 0.02 0.37 -0.33 -0.55 8.40 7.91 1n7pA1 ASP 532 HA 0.01 -0.03 0.61 -0.75 4.63 4.46 1n7pA1 ASP 532 HB2 0.02 0.22 0.15 -0.04 2.71 3.06 1n7pA1 ASP 532 HB3 0.01 0.10 0.24 -0.04 2.70 3.01 1n7pA1 ALA 533 H 0.01 0.22 0.19 -0.55 8.40 8.27 1n7pA1 ALA 533 HA 0.00 0.18 0.39 -0.75 4.34 4.15 1n7pA1 ALA 533 HB3 0.00 -0.01 0.06 -0.04 1.41 1.42 1n7pA1 GLY 534 H 0.00 0.01 -0.35 -0.55 8.43 7.54 1n7pA1 GLY 534 HA2 0.00 0.06 0.47 -0.51 4.01 4.03 1n7pA1 GLY 534 HA3 0.00 -0.04 0.20 -0.51 4.01 3.67 1n7pA1 VAL 535 H -0.00 0.47 -0.33 -0.55 8.24 7.83 1n7pA1 VAL 535 HA -0.01 0.01 0.82 -0.75 4.13 4.20 1n7pA1 VAL 535 HB -0.01 0.24 0.13 -0.04 2.12 2.45 1n7pA1 VAL 535 HG13 -0.03 0.02 -0.26 -0.04 0.97 0.66 1n7pA1 VAL 535 HG23 -0.00 -0.05 -0.05 -0.04 0.95 0.80 1n7pA1 ALA 536 H -0.01 0.08 0.05 -0.55 8.40 7.97 1n7pA1 ALA 536 HA -0.00 0.08 0.35 -0.75 4.34 4.01 1n7pA1 ALA 536 HB3 -0.00 -0.02 0.01 -0.04 1.41 1.36 1n7pA1 SER 537 H 0.00 0.19 0.01 -0.55 8.46 8.11 1n7pA1 SER 537 HA -0.01 0.13 0.66 -0.75 4.49 4.52 1n7pA1 SER 537 HB2 -0.01 0.12 -0.18 -0.04 3.95 3.85 1n7pA1 SER 537 HB3 0.00 -0.01 0.11 -0.04 3.93 3.99 1n7pA1 VAL 538 H 0.00 0.23 -0.02 -0.55 8.24 7.91 1n7pA1 VAL 538 HA 0.02 0.20 0.84 -0.75 4.13 4.43 1n7pA1 VAL 538 HB 0.01 -0.03 0.01 -0.04 2.12 2.07 1n7pA1 VAL 538 HG13 0.02 0.05 -0.08 -0.04 0.97 0.93 1n7pA1 VAL 538 HG23 0.01 -0.03 -0.15 -0.04 0.95 0.74 1n7pA1 PRO 539 HA 0.05 -0.01 0.48 -0.51 4.44 4.45 1n7pA1 PRO 539 HB2 0.06 -0.00 0.01 -0.04 2.28 2.31 1n7pA1 PRO 539 HB3 0.07 0.05 0.07 -0.04 2.02 2.18 1n7pA1 PRO 539 HG2 0.04 0.02 0.07 -0.04 2.03 2.11 1n7pA1 PRO 539 HG3 0.04 0.06 0.05 -0.04 2.03 2.15 1n7pA1 PRO 539 HD2 0.03 0.05 0.19 -0.04 3.68 3.92 1n7pA1 PRO 539 HD3 0.03 0.22 0.14 -0.04 3.65 3.99 1n7pA1 ARG 540 H 0.05 0.05 0.14 -0.55 8.46 8.15 1n7pA1 ARG 540 HA 0.07 0.02 0.43 -0.75 4.34 4.10 1n7pA1 ARG 540 HB2 0.05 -0.02 -0.00 -0.04 1.90 1.88 1n7pA1 ARG 540 HB3 0.10 0.05 0.05 -0.04 1.80 1.95 1n7pA1 ARG 540 HG2 0.00 -0.02 0.07 -0.04 1.67 1.69 1n7pA1 ARG 540 HG3 -0.07 -0.03 0.01 -0.04 1.67 1.54 1n7pA1 ARG 540 HD2 -0.01 -0.00 0.01 -0.04 3.22 3.18 1n7pA1 ARG 540 HD3 -0.03 -0.01 -0.02 -0.04 3.22 3.11 1n7pA1 THR 541 H 0.12 0.07 0.13 -0.55 8.28 8.05 1n7pA1 THR 541 HA 0.10 0.06 0.59 -0.75 4.39 4.39 1n7pA1 THR 541 HB 0.06 0.03 0.10 -0.04 4.32 4.48 1n7pA1 THR 541 HG23 0.10 0.05 -0.07 -0.04 1.22 1.26 1n7pA1 SER 542 H 0.03 0.01 0.18 -0.55 8.46 8.13 1n7pA1 SER 542 HA -0.07 0.16 0.52 -0.75 4.49 4.34 1n7pA1 SER 542 HB2 -0.04 -0.06 0.15 -0.04 3.95 3.96 1n7pA1 SER 542 HB3 -0.14 0.26 0.27 -0.04 3.93 4.28 1n7pA1 TYR 543 H -0.27 0.48 0.47 -0.55 8.29 8.42 1n7pA1 TYR 543 HA 0.01 0.02 0.68 -0.75 4.56 4.52 1n7pA1 TYR 543 HB2 0.01 -0.05 0.05 -0.04 3.06 3.03 1n7pA1 TYR 543 HB3 0.04 0.09 -0.15 -0.04 2.98 2.92 1n7pA1 TYR 543 HD2 0.06 0.08 -0.26 -0.04 7.15 6.99 1n7pA1 TYR 543 HE2 -0.05 0.03 -0.12 -0.04 6.85 6.67 1n7pA1 LEU 544 H 0.13 0.21 0.14 -0.55 8.37 8.31 1n7pA1 LEU 544 HA 0.07 0.28 0.85 -0.75 4.35 4.80 1n7pA1 LEU 544 HB2 0.00 0.14 -0.40 -0.04 1.64 1.35 1n7pA1 LEU 544 HB3 0.01 0.01 -0.01 -0.04 1.64 1.61 1n7pA1 LEU 544 HG 0.04 0.06 -0.08 -0.04 1.64 1.61 1n7pA1 LEU 544 HD13 0.01 -0.01 -0.41 -0.04 0.93 0.48 1n7pA1 LEU 544 HD23 -0.02 -0.01 -0.41 -0.04 0.89 0.41 1n7pA1 SER 545 H 0.01 0.77 0.29 -0.55 8.46 8.98 1n7pA1 SER 545 HA -0.22 0.15 0.93 -0.75 4.49 4.60 1n7pA1 SER 545 HB2 -0.47 -0.06 0.14 -0.04 3.95 3.52 1n7pA1 SER 545 HB3 -1.21 0.07 -0.05 -0.04 3.93 2.71 1n7pA1 ALA 546 H -0.24 0.25 0.08 -0.55 8.40 7.94 1n7pA1 ALA 546 HA -0.17 0.13 0.79 -0.75 4.34 4.34 1n7pA1 ALA 546 HB3 -0.16 0.01 0.08 -0.04 1.41 1.29 1n7pA1 PHE 547 H -0.13 0.48 0.12 -0.55 8.34 8.26 1n7pA1 PHE 547 HA -0.03 0.17 0.72 -0.75 4.62 4.72 1n7pA1 PHE 547 HB2 -0.04 0.11 0.15 -0.04 3.15 3.33 1n7pA1 PHE 547 HB3 -0.04 -0.18 0.04 -0.04 3.06 2.84 1n7pA1 PHE 547 HD2 -0.01 -0.04 -0.24 -0.04 7.28 6.95 1n7pA1 PHE 547 HE2 -0.00 0.15 -0.02 -0.04 7.38 7.47 1n7pA1 PHE 547 HZ -0.03 0.04 -0.08 -0.04 7.32 7.21 1n7pA1 ASN 548 H -0.03 0.48 -0.08 -0.55 8.53 8.36 1n7pA1 ASN 548 HA -0.00 0.04 0.27 -0.75 4.76 4.32 1n7pA1 ASN 548 HB2 -0.10 0.04 0.15 -0.04 2.88 2.93 1n7pA1 ASN 548 HB3 0.03 0.08 0.05 -0.04 2.79 2.92 1n7pA1 ASN 548 HD21 -0.62 0.49 0.21 -0.04 7.03 7.07 1n7pA1 ASN 548 HD22 -0.53 0.01 0.10 -0.04 7.74 7.28 1n7pA1 LYS 549 H -0.02 0.04 -0.20 -0.55 8.42 7.69 1n7pA1 LYS 549 HA -0.11 0.21 0.50 -0.75 4.32 4.16 1n7pA1 LYS 549 HB2 -0.34 -0.14 -0.03 -0.04 1.87 1.32 1n7pA1 LYS 549 HB3 -0.88 0.09 0.02 -0.04 1.79 0.99 1n7pA1 LYS 549 HG2 0.00 -0.06 0.02 -0.04 1.46 1.38 1n7pA1 LYS 549 HG3 0.09 -0.05 0.02 -0.04 1.46 1.48 1n7pA1 LYS 549 HD2 -0.04 0.05 0.02 -0.04 1.69 1.68 1n7pA1 LYS 549 HD3 -0.00 0.05 -0.03 -0.04 1.68 1.65 1n7pA1 LYS 549 HE2 0.19 0.05 0.06 -0.04 2.99 3.25 1n7pA1 LYS 549 HE3 0.09 0.07 0.04 -0.04 2.99 3.16 1n7pA1 MET 550 H -0.03 0.29 -0.40 -0.55 8.47 7.78 1n7pA1 MET 550 HA -0.08 0.23 0.31 -0.75 4.52 4.22 1n7pA1 MET 550 HB2 -0.08 -0.02 0.18 -0.04 2.15 2.18 1n7pA1 MET 550 HB3 -0.15 -0.03 -0.12 -0.04 2.03 1.69 1n7pA1 MET 550 HG2 -0.04 -0.04 -0.02 -0.04 2.63 2.48 1n7pA1 MET 550 HG3 -0.04 0.07 -0.11 -0.04 2.56 2.44 1n7pA1 MET 550 HE3 -0.55 0.05 -0.02 -0.04 2.10 1.53 1n7pA1 ASP 551 H 0.01 0.22 -0.09 -0.55 8.40 7.99 1n7pA1 ASP 551 HA 0.03 -0.02 0.20 -0.75 4.63 4.09 1n7pA1 ASP 551 HB2 0.08 0.21 -0.29 -0.04 2.71 2.67 1n7pA1 ASP 551 HB3 0.07 -0.09 -0.12 -0.04 2.70 2.52 1n7pA1 LYS 552 H 0.08 0.27 -0.13 -0.55 8.42 8.09 1n7pA1 LYS 552 HA 0.02 0.35 1.00 -0.75 4.32 4.94 1n7pA1 LYS 552 HB2 0.14 -0.12 -0.07 -0.04 1.87 1.78 1n7pA1 LYS 552 HB3 0.06 -0.00 0.02 -0.04 1.79 1.83 1n7pA1 LYS 552 HG2 -0.00 0.12 -0.27 -0.04 1.46 1.27 1n7pA1 LYS 552 HG3 -0.04 -0.09 -0.08 -0.04 1.46 1.20 1n7pA1 LYS 552 HD2 0.01 -0.10 0.09 -0.04 1.69 1.65 1n7pA1 LYS 552 HD3 0.03 0.16 0.08 -0.04 1.68 1.91 1n7pA1 LYS 552 HE2 -0.01 0.02 0.10 -0.04 2.99 3.07 1n7pA1 LYS 552 HE3 -0.04 0.12 0.11 -0.04 2.99 3.14 1n7pA1 THR 553 H 0.01 0.55 0.29 -0.55 8.28 8.58 1n7pA1 THR 553 HA -0.01 0.21 0.92 -0.75 4.39 4.76 1n7pA1 THR 553 HB -0.02 -0.04 -0.01 -0.04 4.32 4.21 1n7pA1 THR 553 HG23 0.01 0.01 -0.26 -0.04 1.22 0.94 1n7pA1 ALA 554 H -0.02 0.61 0.29 -0.55 8.40 8.74 1n7pA1 ALA 554 HA 0.13 0.24 1.06 -0.75 4.34 5.02 1n7pA1 ALA 554 HB3 0.23 0.02 -0.04 -0.04 1.41 1.58 1n7pA1 MET 555 H 0.21 0.67 0.38 -0.55 8.47 9.18 1n7pA1 MET 555 HA 0.01 0.24 1.08 -0.75 4.52 5.09 1n7pA1 MET 555 HB2 0.17 -0.06 -0.17 -0.04 2.15 2.04 1n7pA1 MET 555 HB3 0.36 -0.01 0.07 -0.04 2.03 2.40 1n7pA1 MET 555 HG2 -0.05 0.01 -0.31 -0.04 2.63 2.24 1n7pA1 MET 555 HG3 -0.02 0.07 -0.03 -0.04 2.56 2.54 1n7pA1 MET 555 HE3 -0.00 0.03 -0.15 -0.04 2.10 1.94 1n7pA1 TYR 556 H -0.34 0.79 0.42 -0.55 8.29 8.61 1n7pA1 TYR 556 HA -0.29 0.22 1.01 -0.75 4.56 4.74 1n7pA1 TYR 556 HB2 -0.53 0.04 -0.08 -0.04 3.06 2.44 1n7pA1 TYR 556 HB3 -1.59 -0.03 0.11 -0.04 2.98 1.43 1n7pA1 TYR 556 HD2 -0.15 0.05 -0.22 -0.04 7.15 6.79 1n7pA1 TYR 556 HE2 -0.00 0.09 -0.29 -0.04 6.85 6.60 1n7pA1 ASN 557 H -1.04 0.77 0.32 -0.55 8.53 8.03 1n7pA1 ASN 557 HA -0.51 0.06 0.95 -0.75 4.76 4.51 1n7pA1 ASN 557 HB2 -0.81 0.20 0.12 -0.04 2.88 2.35 1n7pA1 ASN 557 HB3 -1.27 -0.05 0.26 -0.04 2.79 1.69 1n7pA1 ASN 557 HD21 -0.05 -0.08 -0.07 -0.04 7.03 6.78 1n7pA1 ASN 557 HD22 -0.11 0.48 0.08 -0.04 7.74 8.15 1n7pA1 ALA 558 H -0.37 0.14 0.13 -0.55 8.40 7.76 1n7pA1 ALA 558 HA -0.33 0.16 0.43 -0.75 4.34 3.85 1n7pA1 ALA 558 HB3 0.02 0.03 -0.02 -0.04 1.41 1.41 1n7pA1 GLU 559 H -0.16 -0.00 -0.03 -0.55 8.60 7.86 1n7pA1 GLU 559 HA -0.03 0.12 0.48 -0.75 4.29 4.11 1n7pA1 GLU 559 HB2 -0.05 -0.01 0.10 -0.04 2.09 2.09 1n7pA1 GLU 559 HB3 -0.07 -0.06 0.09 -0.04 1.99 1.91 1n7pA1 GLU 559 HG2 -0.01 0.06 -0.23 -0.04 2.34 2.12 1n7pA1 GLU 559 HG3 -0.01 0.01 0.03 -0.04 2.34 2.32 1n7pA1 LYS 560 H -0.12 -0.04 -0.20 -0.55 8.42 7.50 1n7pA1 LYS 560 HA 0.04 0.21 0.79 -0.75 4.32 4.61 1n7pA1 LYS 560 HB2 0.12 -0.05 0.00 -0.04 1.87 1.90 1n7pA1 LYS 560 HB3 0.20 0.10 -0.01 -0.04 1.79 2.04 1n7pA1 LYS 560 HG2 0.06 0.05 -0.04 -0.04 1.46 1.49 1n7pA1 LYS 560 HG3 0.03 -0.14 -0.14 -0.04 1.46 1.17 1n7pA1 LYS 560 HD2 0.16 -0.04 0.00 -0.04 1.69 1.77 1n7pA1 LYS 560 HD3 0.14 0.17 -0.02 -0.04 1.68 1.93 1n7pA1 LYS 560 HE2 0.04 -0.01 -0.03 -0.04 2.99 2.95 1n7pA1 LYS 560 HE3 0.04 -0.07 -0.04 -0.04 2.99 2.88 1n7pA1 GLY 561 H -0.20 0.23 -0.11 -0.55 8.43 7.80 1n7pA1 GLY 561 HA2 -0.02 0.05 0.33 -0.51 4.01 3.85 1n7pA1 GLY 561 HA3 0.08 0.05 0.30 -0.51 4.01 3.92 1n7pA1 PHE 562 H -0.40 0.21 0.23 -0.55 8.34 7.82 1n7pA1 PHE 562 HA 0.17 0.32 0.71 -0.75 4.62 5.06 1n7pA1 PHE 562 HB2 0.13 0.06 0.12 -0.04 3.15 3.42 1n7pA1 PHE 562 HB3 0.06 0.03 -0.09 -0.04 3.06 3.02 1n7pA1 PHE 562 HD2 0.08 0.08 -0.37 -0.04 7.28 7.02 1n7pA1 PHE 562 HE2 -0.01 -0.02 -0.16 -0.04 7.38 7.15 1n7pA1 PHE 562 HZ -0.05 -0.08 -0.29 -0.04 7.32 6.86 1n7pA1 GLY 563 H 0.48 0.60 0.37 -0.55 8.43 9.33 1n7pA1 GLY 563 HA2 0.25 0.29 1.08 -0.51 4.01 5.12 1n7pA1 GLY 563 HA3 0.41 -0.02 0.42 -0.51 4.01 4.32 1n7pA1 PHE 564 H 0.40 0.72 0.36 -0.55 8.34 9.27 1n7pA1 PHE 564 HA 0.35 0.33 0.91 -0.75 4.62 5.46 1n7pA1 PHE 564 HB2 0.38 0.02 -0.19 -0.04 3.15 3.33 1n7pA1 PHE 564 HB3 0.24 -0.06 -0.01 -0.04 3.06 3.18 1n7pA1 PHE 564 HD2 0.22 -0.03 -0.15 -0.04 7.28 7.27 1n7pA1 PHE 564 HE2 0.07 -0.03 -0.20 -0.04 7.38 7.19 1n7pA1 PHE 564 HZ -0.22 0.01 -0.18 -0.04 7.32 6.88 1n7pA1 GLY 565 H -0.12 0.50 0.31 -0.55 8.43 8.57 1n7pA1 GLY 565 HA2 -0.05 0.32 1.05 -0.51 4.01 4.83 1n7pA1 GLY 565 HA3 0.00 -0.08 0.34 -0.51 4.01 3.77 1n7pA1 LEU 566 H -0.14 0.66 0.30 -0.55 8.37 8.65 1n7pA1 LEU 566 HA -0.28 0.26 0.93 -0.75 4.35 4.50 1n7pA1 LEU 566 HB2 -0.32 -0.02 -0.15 -0.04 1.64 1.11 1n7pA1 LEU 566 HB3 -0.19 -0.10 0.09 -0.04 1.64 1.40 1n7pA1 LEU 566 HG -0.57 0.02 -0.37 -0.04 1.64 0.68 1n7pA1 LEU 566 HD13 -1.27 0.04 -0.20 -0.04 0.93 -0.54 1n7pA1 LEU 566 HD23 -0.62 -0.03 -0.22 -0.04 0.89 -0.01 1n7pA1 SER 567 H -0.04 0.83 0.18 -0.55 8.46 8.88 1n7pA1 SER 567 HA 0.02 0.10 0.92 -0.75 4.49 4.78 1n7pA1 SER 567 HB2 0.17 -0.18 -0.01 -0.04 3.95 3.89 1n7pA1 SER 567 HB3 0.16 0.05 0.23 -0.04 3.93 4.33 1n7pA1 LEU 568 H 0.04 0.48 0.39 -0.55 8.37 8.74 1n7pA1 LEU 568 HA 0.22 0.17 0.91 -0.75 4.35 4.90 1n7pA1 LEU 568 HB2 0.06 0.11 0.07 -0.04 1.64 1.84 1n7pA1 LEU 568 HB3 0.11 -0.03 0.17 -0.04 1.64 1.85 1n7pA1 LEU 568 HG -0.16 -0.00 -0.32 -0.04 1.64 1.12 1n7pA1 LEU 568 HD13 -0.04 -0.03 -0.19 -0.04 0.93 0.64 1n7pA1 LEU 568 HD23 -0.34 0.02 -0.34 -0.04 0.89 0.19 1n7pA1 PHE 569 H 0.26 0.26 0.31 -0.55 8.34 8.62 1n7pA1 PHE 569 HA 0.07 0.09 0.24 -0.75 4.62 4.27 1n7pA1 PHE 569 HB2 0.09 0.07 -0.10 -0.04 3.15 3.16 1n7pA1 PHE 569 HB3 0.11 0.15 -0.03 -0.04 3.06 3.24 1n7pA1 PHE 569 HD2 0.17 0.25 0.01 -0.04 7.28 7.66 1n7pA1 PHE 569 HE2 0.28 -0.00 -0.40 -0.04 7.38 7.22 1n7pA1 PHE 569 HZ 0.27 0.01 -0.09 -0.04 7.32 7.47 1n7pA1 SER 570 H 0.20 0.30 0.24 -0.55 8.46 8.65 1n7pA1 SER 570 HA -0.14 0.21 0.82 -0.75 4.49 4.63 1n7pA1 SER 570 HB2 0.01 0.02 0.25 -0.04 3.95 4.19 1n7pA1 SER 570 HB3 0.01 0.09 -0.22 -0.04 3.93 3.78 1n7pA1 SER 571 H 0.02 0.34 0.20 -0.55 8.46 8.48 1n7pA1 SER 571 HA 0.06 0.23 0.43 -0.75 4.49 4.46 1n7pA1 SER 571 HB2 0.04 -0.02 0.04 -0.04 3.95 3.97 1n7pA1 SER 571 HB3 0.03 0.09 -0.31 -0.04 3.93 3.71 1n7pA1 ARG 572 H 0.05 -0.04 -0.46 -0.55 8.46 7.46 1n7pA1 ARG 572 HA 0.05 0.16 0.64 -0.75 4.34 4.43 1n7pA1 ARG 572 HB2 0.03 -0.00 -0.04 -0.04 1.90 1.85 1n7pA1 ARG 572 HB3 0.02 0.02 0.08 -0.04 1.80 1.88 1n7pA1 ARG 572 HG2 0.03 0.02 -0.00 -0.04 1.67 1.67 1n7pA1 ARG 572 HG3 0.03 -0.12 -0.01 -0.04 1.67 1.53 1n7pA1 ARG 572 HD2 0.02 -0.01 0.02 -0.04 3.22 3.22 1n7pA1 ARG 572 HD3 0.02 0.05 0.05 -0.04 3.22 3.30 1n7pA1 THR 573 H 0.13 0.34 -0.09 -0.55 8.28 8.11 1n7pA1 THR 573 HA 0.06 0.30 1.03 -0.75 4.39 5.03 1n7pA1 THR 573 HB 0.08 0.13 0.06 -0.04 4.32 4.56 1n7pA1 THR 573 HG23 0.01 -0.02 -0.32 -0.04 1.22 0.85 1n7pA1 LEU 574 H 0.05 0.51 0.23 -0.55 8.37 8.61 1n7pA1 LEU 574 HA 0.08 0.16 0.44 -0.75 4.35 4.27 1n7pA1 LEU 574 HB2 0.01 0.01 -0.05 -0.04 1.64 1.56 1n7pA1 LEU 574 HB3 -0.04 -0.06 -0.16 -0.04 1.64 1.33 1n7pA1 LEU 574 HG -0.08 -0.11 -0.09 -0.04 1.64 1.33 1n7pA1 LEU 574 HD13 0.01 0.04 -0.37 -0.04 0.93 0.57 1n7pA1 LEU 574 HD23 -0.08 -0.01 -0.11 -0.04 0.89 0.65 1n7pA1 ASN 575 H -0.25 0.52 0.32 -0.55 8.53 8.58 1n7pA1 ASN 575 HA -0.47 0.14 0.45 -0.75 4.76 4.13 1n7pA1 ASN 575 HB2 -0.50 -0.04 -0.03 -0.04 2.88 2.26 1n7pA1 ASN 575 HB3 -2.86 0.04 0.06 -0.04 2.79 -0.01 1n7pA1 ASN 575 HD21 0.19 -0.04 0.08 -0.04 7.03 7.22 1n7pA1 ASN 575 HD22 -0.06 0.02 0.02 -0.04 7.74 7.68 1n7pA1 TYR 576 H -0.08 0.13 0.06 -0.55 8.29 7.84 1n7pA1 TYR 576 HA -0.13 0.16 0.60 -0.75 4.56 4.44 1n7pA1 TYR 576 HB2 -0.13 -0.02 -0.04 -0.04 3.06 2.82 1n7pA1 TYR 576 HB3 -0.11 0.11 -0.35 -0.04 2.98 2.59 1n7pA1 TYR 576 HD2 -0.11 0.03 -0.24 -0.04 7.15 6.78 1n7pA1 TYR 576 HE2 -0.01 0.13 -0.23 -0.04 6.85 6.70 1n7pA1 GLU 577 H -0.07 0.17 0.04 -0.55 8.60 8.20 1n7pA1 GLU 577 HA -0.18 0.14 0.90 -0.75 4.29 4.40 1n7pA1 GLU 577 HB2 -0.02 0.05 0.00 -0.04 2.09 2.09 1n7pA1 GLU 577 HB3 -0.01 -0.12 0.15 -0.04 1.99 1.96 1n7pA1 GLU 577 HG2 0.12 -0.02 -0.29 -0.04 2.34 2.12 1n7pA1 GLU 577 HG3 0.08 0.07 -0.08 -0.04 2.34 2.38 1n7pA1 HIS 578 H -0.17 0.19 0.10 -0.55 8.41 7.98 1n7pA1 HIS 578 HA -0.02 0.43 0.83 -0.75 4.63 5.11 1n7pA1 HIS 578 HB2 0.08 0.11 0.00 -0.04 3.26 3.42 1n7pA1 HIS 578 HB3 -0.13 -0.09 0.24 -0.04 3.20 3.18 1n7pA1 HIS 578 HD2 0.12 0.28 0.06 -0.04 6.97 7.38 1n7pA1 HIS 578 HE1 0.02 -0.20 -0.16 -0.04 7.75 7.37 1n7pA1 MET 579 H 0.18 0.51 0.15 -0.55 8.47 8.76 1n7pA1 MET 579 HA 0.09 0.13 0.75 -0.75 4.52 4.73 1n7pA1 MET 579 HB2 0.09 0.10 -0.26 -0.04 2.15 2.04 1n7pA1 MET 579 HB3 0.14 -0.02 -0.10 -0.04 2.03 2.02 1n7pA1 MET 579 HG2 0.10 -0.03 -0.20 -0.04 2.63 2.46 1n7pA1 MET 579 HG3 0.06 0.02 0.06 -0.04 2.56 2.66 1n7pA1 MET 579 HE3 -0.00 0.02 -0.01 -0.04 2.10 2.07 1n7pA1 ASN 580 H 0.08 0.21 0.15 -0.55 8.53 8.42 1n7pA1 ASN 580 HA 0.06 0.05 0.35 -0.75 4.76 4.46 1n7pA1 ASN 580 HB2 0.05 0.18 -0.04 -0.04 2.88 3.02 1n7pA1 ASN 580 HB3 0.02 -0.00 0.23 -0.04 2.79 2.99 1n7pA1 ASN 580 HD21 0.00 -0.04 -0.03 -0.04 7.03 6.92 1n7pA1 ASN 580 HD22 0.01 0.04 -0.05 -0.04 7.74 7.71 1n7pA1 LYS 581 H 0.17 0.09 -0.32 -0.55 8.42 7.80 1n7pA1 LYS 581 HA 0.17 0.11 0.15 -0.75 4.32 3.99 1n7pA1 LYS 581 HB2 0.04 0.11 0.10 -0.04 1.87 2.08 1n7pA1 LYS 581 HB3 0.05 -0.01 0.17 -0.04 1.79 1.96 1n7pA1 LYS 581 HG2 0.09 0.06 -0.06 -0.04 1.46 1.51 1n7pA1 LYS 581 HG3 0.06 -0.12 -0.39 -0.04 1.46 0.97 1n7pA1 LYS 581 HD2 0.04 -0.01 -0.08 -0.04 1.69 1.60 1n7pA1 LYS 581 HD3 0.04 0.02 -0.02 -0.04 1.68 1.69 1n7pA1 LYS 581 HE2 0.04 0.04 -0.02 -0.04 2.99 3.02 1n7pA1 LYS 581 HE3 0.05 -0.01 -0.04 -0.04 2.99 2.95 1n7pA1 GLU 582 H 0.05 0.29 -0.38 -0.55 8.60 8.01 1n7pA1 GLU 582 HA -0.06 0.12 1.00 -0.75 4.29 4.60 1n7pA1 GLU 582 HB2 0.01 -0.00 0.04 -0.04 2.09 2.09 1n7pA1 GLU 582 HB3 -0.03 0.04 0.03 -0.04 1.99 1.99 1n7pA1 GLU 582 HG2 -0.01 -0.06 -0.18 -0.04 2.34 2.05 1n7pA1 GLU 582 HG3 0.02 0.13 -0.11 -0.04 2.34 2.33 1n7pA1 ASN 583 H -0.11 0.37 0.38 -0.55 8.53 8.62 1n7pA1 ASN 583 HA -0.19 0.00 0.43 -0.75 4.76 4.24 1n7pA1 ASN 583 HB2 -0.11 -0.06 0.04 -0.04 2.88 2.71 1n7pA1 ASN 583 HB3 -0.06 0.32 0.47 -0.04 2.79 3.48 1n7pA1 ASN 583 HD21 -0.10 -0.01 -0.04 -0.04 7.03 6.84 1n7pA1 ASN 583 HD22 -0.03 0.20 0.01 -0.04 7.74 7.88 1n7pA1 LYS 584 H -0.29 0.49 0.10 -0.55 8.42 8.16 1n7pA1 LYS 584 HA -0.63 0.17 0.32 -0.75 4.32 3.43 1n7pA1 LYS 584 HB2 -0.23 0.05 0.10 -0.04 1.87 1.75 1n7pA1 LYS 584 HB3 -0.15 -0.04 0.07 -0.04 1.79 1.63 1n7pA1 LYS 584 HG2 -0.32 0.01 -0.14 -0.04 1.46 0.97 1n7pA1 LYS 584 HG3 -0.30 -0.01 -0.31 -0.04 1.46 0.80 1n7pA1 LYS 584 HD2 -0.07 0.03 -0.33 -0.04 1.69 1.28 1n7pA1 LYS 584 HD3 -0.04 0.01 -0.06 -0.04 1.68 1.55 1n7pA1 LYS 584 HE2 0.04 -0.06 -0.09 -0.04 2.99 2.83 1n7pA1 LYS 584 HE3 -0.01 -0.03 -0.03 -0.04 2.99 2.89 1n7pA1 ARG 585 H -0.51 0.05 -0.32 -0.55 8.46 7.14 1n7pA1 ARG 585 HA -2.43 0.22 0.82 -0.75 4.34 2.20 1n7pA1 ARG 585 HB2 -0.61 0.04 0.03 -0.04 1.90 1.32 1n7pA1 ARG 585 HB3 -1.40 -0.02 0.11 -0.04 1.80 0.44 1n7pA1 ARG 585 HG2 -0.66 0.09 -0.24 -0.04 1.67 0.82 1n7pA1 ARG 585 HG3 -0.42 -0.07 -0.32 -0.04 1.67 0.82 1n7pA1 ARG 585 HD2 -0.20 0.03 -0.10 -0.04 3.22 2.90 1n7pA1 ARG 585 HD3 -0.18 -0.03 -0.05 -0.04 3.22 2.93 1n7pA1 GLY 586 H -0.66 0.42 -0.30 -0.55 8.43 7.34 1n7pA1 GLY 586 HA2 -0.38 0.13 0.43 -0.51 4.01 3.68 1n7pA1 GLY 586 HA3 -0.36 0.06 0.22 -0.51 4.01 3.42 1n7pA1 TRP 587 H -1.44 0.16 -0.70 -0.55 7.97 5.44 1n7pA1 TRP 587 HA -1.44 0.03 0.12 -0.75 4.62 2.58 1n7pA1 TRP 587 HB2 -1.41 0.06 -0.05 -0.04 3.23 1.79 1n7pA1 TRP 587 HB3 -1.13 -0.02 -0.07 -0.04 3.23 1.96 1n7pA1 TRP 587 HD1 -0.34 -0.02 -0.13 -0.04 7.22 6.69 1n7pA1 TRP 587 HE1 -0.16 0.29 -0.04 -0.04 10.20 10.25 1n7pA1 TRP 587 HE3 -0.77 0.10 -0.16 -0.04 7.59 6.72 1n7pA1 TRP 587 HZ2 -0.17 -0.03 -0.39 -0.04 7.44 6.81 1n7pA1 TRP 587 HZ3 -1.10 -0.06 -0.16 -0.04 7.13 5.77 1n7pA1 TRP 587 HH2 -0.25 -0.01 -0.07 -0.04 7.19 6.82 1n7pA1 TYR 588 H -0.13 0.19 -0.32 -0.55 8.29 7.48 1n7pA1 TYR 588 HA 0.14 0.14 0.65 -0.75 4.56 4.74 1n7pA1 TYR 588 HB2 0.10 0.10 -0.01 -0.04 3.06 3.20 1n7pA1 TYR 588 HB3 0.14 0.00 0.06 -0.04 2.98 3.15 1n7pA1 TYR 588 HD2 0.19 0.16 -0.07 -0.04 7.15 7.38 1n7pA1 TYR 588 HE2 0.10 -0.04 -0.04 -0.04 6.85 6.83 1n7pA1 THR 589 H -0.02 0.54 -0.24 -0.55 8.28 8.01 1n7pA1 THR 589 HA 0.16 0.07 0.20 -0.75 4.39 4.06 1n7pA1 THR 589 HB 0.15 -0.02 0.09 -0.04 4.32 4.50 1n7pA1 THR 589 HG23 0.10 -0.03 -0.04 -0.04 1.22 1.22 1n7pA1 SER 590 H 0.15 0.05 -0.49 -0.55 8.46 7.62 1n7pA1 SER 590 HA 0.18 0.28 0.59 -0.75 4.49 4.79 1n7pA1 SER 590 HB2 -0.01 -0.09 -0.03 -0.04 3.95 3.79 1n7pA1 SER 590 HB3 0.28 -0.01 -0.23 -0.04 3.93 3.93 1n7pA1 ASP 591 H 0.27 0.44 -0.20 -0.55 8.40 8.36 1n7pA1 ASP 591 HA 0.53 0.11 0.53 -0.75 4.63 5.05 1n7pA1 ASP 591 HB2 0.27 0.12 0.13 -0.04 2.71 3.19 1n7pA1 ASP 591 HB3 -0.01 -0.02 0.18 -0.04 2.70 2.81 1n7pA1 GLY 592 H 0.26 0.48 -0.37 -0.55 8.43 8.26 1n7pA1 GLY 592 HA2 0.16 -0.01 0.12 -0.51 4.01 3.76 1n7pA1 GLY 592 HA3 0.52 0.06 0.56 -0.51 4.01 4.65 1n7pA1 MET 593 H 0.18 0.11 -0.27 -0.55 8.47 7.94 1n7pA1 MET 593 HA 0.19 0.35 0.49 -0.75 4.52 4.80 1n7pA1 MET 593 HB2 0.13 0.00 -0.11 -0.04 2.15 2.13 1n7pA1 MET 593 HB3 0.13 0.10 -0.03 -0.04 2.03 2.19 1n7pA1 MET 593 HG2 -0.27 -0.02 -0.28 -0.04 2.63 2.02 1n7pA1 MET 593 HG3 -0.10 0.10 -0.01 -0.04 2.56 2.51 1n7pA1 MET 593 HE3 -0.55 -0.01 -0.06 -0.04 2.10 1.44 1n7pA1 PHE 594 H 0.17 0.49 0.20 -0.55 8.34 8.65 1n7pA1 PHE 594 HA -0.09 0.27 1.01 -0.75 4.62 5.06 1n7pA1 PHE 594 HB2 -0.11 0.00 0.06 -0.04 3.15 3.06 1n7pA1 PHE 594 HB3 0.34 0.02 -0.08 -0.04 3.06 3.30 1n7pA1 PHE 594 HD2 0.37 0.09 -0.32 -0.04 7.28 7.37 1n7pA1 PHE 594 HE2 0.13 0.03 -0.14 -0.04 7.38 7.36 1n7pA1 PHE 594 HZ 0.10 -0.02 -0.02 -0.04 7.32 7.33 1n7pA1 TYR 595 H 0.02 0.60 0.35 -0.55 8.29 8.71 1n7pA1 TYR 595 HA -0.28 0.16 0.85 -0.75 4.56 4.54 1n7pA1 TYR 595 HB2 -0.17 -0.10 0.10 -0.04 3.06 2.85 1n7pA1 TYR 595 HB3 -0.80 0.01 -0.06 -0.04 2.98 2.08 1n7pA1 TYR 595 HD2 -0.93 0.05 -0.15 -0.04 7.15 6.08 1n7pA1 TYR 595 HE2 -0.10 0.07 -0.08 -0.04 6.85 6.69 1n7pA1 LEU 596 H 0.02 0.23 0.13 -0.55 8.37 8.20 1n7pA1 LEU 596 HA 0.31 0.31 0.93 -0.75 4.35 5.16 1n7pA1 LEU 596 HB2 0.43 0.02 -0.03 -0.04 1.64 2.01 1n7pA1 LEU 596 HB3 0.07 -0.05 0.10 -0.04 1.64 1.72 1n7pA1 LEU 596 HG 0.09 -0.03 -0.37 -0.04 1.64 1.29 1n7pA1 LEU 596 HD13 0.14 0.07 -0.01 -0.04 0.93 1.08 1n7pA1 LEU 596 HD23 -0.02 -0.01 -0.08 -0.04 0.89 0.74 1n7pA1 TYR 597 H 0.38 0.76 0.15 -0.55 8.29 9.03 1n7pA1 TYR 597 HA 0.22 0.10 0.80 -0.75 4.56 4.93 1n7pA1 TYR 597 HB2 0.24 -0.12 0.16 -0.04 3.06 3.30 1n7pA1 TYR 597 HB3 0.18 0.09 -0.00 -0.04 2.98 3.21 1n7pA1 TYR 597 HD2 0.20 0.03 -0.24 -0.04 7.15 7.10 1n7pA1 TYR 597 HE2 -0.01 -0.03 -0.15 -0.04 6.85 6.62 1n7pA1 ASN 598 H 0.14 0.14 0.05 -0.55 8.53 8.32 1n7pA1 ASN 598 HA 0.22 0.35 0.92 -0.75 4.76 5.49 1n7pA1 ASN 598 HB2 0.08 0.29 0.35 -0.04 2.88 3.56 1n7pA1 ASN 598 HB3 0.09 -0.00 -0.07 -0.04 2.79 2.76 1n7pA1 ASN 598 HD21 -0.00 0.01 0.04 -0.04 7.03 7.03 1n7pA1 ASN 598 HD22 -0.00 0.09 -0.06 -0.04 7.74 7.73 1n7pA1 GLY 599 H 0.08 0.66 0.27 -0.55 8.43 8.90 1n7pA1 GLY 599 HA2 0.09 0.12 0.35 -0.51 4.01 4.06 1n7pA1 GLY 599 HA3 0.06 -0.04 0.24 -0.51 4.01 3.77 1n7pA1 ASP 600 H 0.03 0.09 -0.34 -0.55 8.40 7.63 1n7pA1 ASP 600 HA -0.01 0.12 0.81 -0.75 4.63 4.80 1n7pA1 ASP 600 HB2 -0.04 0.04 0.08 -0.04 2.71 2.75 1n7pA1 ASP 600 HB3 -0.03 0.03 0.17 -0.04 2.70 2.84 1n7pA1 LEU 601 H 0.03 0.38 -0.02 -0.55 8.37 8.20 1n7pA1 LEU 601 HA 0.18 0.16 0.42 -0.75 4.35 4.35 1n7pA1 LEU 601 HB2 0.06 -0.01 0.11 -0.04 1.64 1.76 1n7pA1 LEU 601 HB3 0.08 -0.06 0.01 -0.04 1.64 1.63 1n7pA1 LEU 601 HG 0.26 0.08 0.09 -0.04 1.64 2.03 1n7pA1 LEU 601 HD13 0.13 0.06 0.00 -0.04 0.93 1.08 1n7pA1 LEU 601 HD23 0.16 0.02 0.16 -0.04 0.89 1.20 1n7pA1 SER 602 H -0.25 0.07 -0.35 -0.55 8.46 7.39 1n7pA1 SER 602 HA -0.83 0.07 0.52 -0.75 4.49 3.50 1n7pA1 SER 602 HB2 -0.39 -0.01 0.01 -0.04 3.95 3.53 1n7pA1 SER 602 HB3 -0.51 0.01 0.01 -0.04 3.93 3.39 1n7pA1 HIS 603 H -0.03 0.45 -0.40 -0.55 8.41 7.88 1n7pA1 HIS 603 HA -0.26 0.08 0.12 -0.75 4.63 3.81 1n7pA1 HIS 603 HB2 -0.26 0.05 0.17 -0.04 3.26 3.18 1n7pA1 HIS 603 HB3 -0.50 -0.02 0.14 -0.04 3.20 2.78 1n7pA1 HIS 603 HD2 -0.25 0.31 0.17 -0.04 6.97 7.15 1n7pA1 HIS 603 HE1 -0.57 0.09 0.08 -0.04 7.75 7.31 1n7pA1 TYR 604 H -0.03 0.13 -0.13 -0.55 8.29 7.70 1n7pA1 TYR 604 HA -0.86 0.20 0.73 -0.75 4.56 3.88 1n7pA1 TYR 604 HB2 0.05 -0.04 0.07 -0.04 3.06 3.10 1n7pA1 TYR 604 HB3 -0.12 -0.02 0.19 -0.04 2.98 2.99 1n7pA1 TYR 604 HD2 -0.68 0.01 0.01 -0.04 7.15 6.45 1n7pA1 TYR 604 HE2 -0.52 0.13 -0.00 -0.04 6.85 6.42 1n7pA1 SER 605 H -0.05 0.56 -0.50 -0.55 8.46 7.93 1n7pA1 SER 605 HA 0.28 0.05 0.79 -0.75 4.49 4.86 1n7pA1 SER 605 HB2 0.06 0.16 0.06 -0.04 3.95 4.19 1n7pA1 SER 605 HB3 0.31 -0.13 0.18 -0.04 3.93 4.26 1n7pA1 ASP 606 H 0.26 0.10 0.15 -0.55 8.40 8.37 1n7pA1 ASP 606 HA 0.21 0.02 0.36 -0.75 4.63 4.46 1n7pA1 ASP 606 HB2 0.04 0.24 -0.11 -0.04 2.71 2.84 1n7pA1 ASP 606 HB3 0.08 0.03 0.21 -0.04 2.70 2.98 1n7pA1 GLY 607 H 0.41 -0.01 -0.22 -0.55 8.43 8.05 1n7pA1 GLY 607 HA2 0.15 -0.05 0.15 -0.51 4.01 3.76 1n7pA1 GLY 607 HA3 0.08 0.14 0.27 -0.51 4.01 3.99 1n7pA1 TYR 608 H 0.15 0.22 -0.47 -0.55 8.29 7.63 1n7pA1 TYR 608 HA -0.10 0.09 0.33 -0.75 4.56 4.12 1n7pA1 TYR 608 HB2 -0.32 0.30 0.07 -0.04 3.06 3.06 1n7pA1 TYR 608 HB3 -0.27 0.01 -0.08 -0.04 2.98 2.60 1n7pA1 TYR 608 HD2 -1.30 0.03 -0.05 -0.04 7.15 5.80 1n7pA1 TYR 608 HE2 -1.15 0.02 -0.02 -0.04 6.85 5.65 1n7pA1 TRP 609 H 0.10 0.05 -0.22 -0.55 7.97 7.35 1n7pA1 TRP 609 HA -0.18 0.07 0.14 -0.75 4.62 3.89 1n7pA1 TRP 609 HB2 -0.12 -0.00 0.02 -0.04 3.23 3.08 1n7pA1 TRP 609 HB3 -0.10 -0.02 -0.15 -0.04 3.23 2.91 1n7pA1 TRP 609 HD1 0.33 -0.00 0.11 -0.04 7.22 7.61 1n7pA1 TRP 609 HE1 0.20 -0.07 0.08 -0.04 10.20 10.37 1n7pA1 TRP 609 HE3 -0.07 0.02 -0.08 -0.04 7.59 7.42 1n7pA1 TRP 609 HZ2 0.28 -0.07 -0.04 -0.04 7.44 7.57 1n7pA1 TRP 609 HZ3 -0.01 0.01 -0.10 -0.04 7.13 6.99 1n7pA1 TRP 609 HH2 0.15 0.04 -0.07 -0.04 7.19 7.27 1n7pA1 PRO 610 HA -0.31 0.14 0.59 -0.51 4.44 4.35 1n7pA1 PRO 610 HB2 -0.45 -0.04 -0.51 -0.04 2.28 1.24 1n7pA1 PRO 610 HB3 -0.74 -0.05 -0.28 -0.04 2.02 0.91 1n7pA1 PRO 610 HG2 -0.66 0.24 -0.25 -0.04 2.03 1.32 1n7pA1 PRO 610 HG3 -2.14 -0.10 -0.15 -0.04 2.03 -0.40 1n7pA1 PRO 610 HD2 -0.87 -0.10 -0.42 -0.04 3.68 2.24 1n7pA1 PRO 610 HD3 -2.49 0.07 -0.12 -0.04 3.65 1.07 1n7pA1 THR 611 H -0.32 0.33 -0.50 -0.55 8.28 7.25 1n7pA1 THR 611 HA -0.18 0.18 0.67 -0.75 4.39 4.31 1n7pA1 THR 611 HB 0.05 -0.01 -0.11 -0.04 4.32 4.21 1n7pA1 THR 611 HG23 -0.09 -0.06 -0.39 -0.04 1.22 0.64 1n7pA1 VAL 612 H -0.52 0.48 0.00 -0.55 8.24 7.65 1n7pA1 VAL 612 HA -1.32 -0.03 0.38 -0.75 4.13 2.40 1n7pA1 VAL 612 HB -1.38 0.05 0.00 -0.04 2.12 0.74 1n7pA1 VAL 612 HG13 -0.48 0.01 -0.20 -0.04 0.97 0.27 1n7pA1 VAL 612 HG23 -0.57 0.00 -0.14 -0.04 0.95 0.20 1n7pA1 ASN 613 H -0.55 0.09 0.03 -0.55 8.53 7.56 1n7pA1 ASN 613 HA -0.13 0.19 0.62 -0.75 4.76 4.69 1n7pA1 ASN 613 HB2 -0.18 0.07 0.04 -0.04 2.88 2.78 1n7pA1 ASN 613 HB3 -0.16 -0.01 0.10 -0.04 2.79 2.68 1n7pA1 ASN 613 HD21 0.03 0.00 -0.09 -0.04 7.03 6.93 1n7pA1 ASN 613 HD22 -0.04 0.03 -0.06 -0.04 7.74 7.63 1n7pA1 PRO 614 HA -0.05 0.08 0.11 -0.51 4.44 4.06 1n7pA1 PRO 614 HB2 -0.37 0.01 0.03 -0.04 2.28 1.91 1n7pA1 PRO 614 HB3 -0.28 0.09 0.04 -0.04 2.02 1.83 1n7pA1 PRO 614 HG2 -0.01 -0.03 -0.02 -0.04 2.03 1.93 1n7pA1 PRO 614 HG3 -0.17 0.05 0.02 -0.04 2.03 1.88 1n7pA1 PRO 614 HD2 0.06 0.01 0.16 -0.04 3.68 3.88 1n7pA1 PRO 614 HD3 -0.12 0.48 0.20 -0.04 3.65 4.16 1n7pA1 TYR 615 H 0.27 0.08 -0.46 -0.55 8.29 7.63 1n7pA1 TYR 615 HA 0.43 0.14 0.62 -0.75 4.56 4.99 1n7pA1 TYR 615 HB2 0.08 -0.02 -0.09 -0.04 3.06 2.99 1n7pA1 TYR 615 HB3 0.10 0.04 -0.03 -0.04 2.98 3.05 1n7pA1 TYR 615 HD2 0.13 0.03 -0.05 -0.04 7.15 7.22 1n7pA1 TYR 615 HE2 -0.06 0.06 -0.00 -0.04 6.85 6.81 1n7pA1 LYS 616 H 0.11 0.43 -0.39 -0.55 8.42 8.01 1n7pA1 LYS 616 HA 0.07 0.19 0.64 -0.75 4.32 4.46 1n7pA1 LYS 616 HB2 -0.01 0.02 0.02 -0.04 1.87 1.86 1n7pA1 LYS 616 HB3 0.00 -0.02 -0.01 -0.04 1.79 1.73 1n7pA1 LYS 616 HG2 0.06 0.13 -0.37 -0.04 1.46 1.24 1n7pA1 LYS 616 HG3 0.09 -0.12 -0.41 -0.04 1.46 0.97 1n7pA1 LYS 616 HD2 -0.02 -0.01 -0.12 -0.04 1.69 1.50 1n7pA1 LYS 616 HD3 -0.01 -0.01 -0.17 -0.04 1.68 1.46 1n7pA1 LYS 616 HE2 0.01 0.02 -0.19 -0.04 2.99 2.79 1n7pA1 LYS 616 HE3 0.01 -0.02 -0.16 -0.04 2.99 2.78 1n7pA1 MET 617 H 0.13 0.13 -0.34 -0.55 8.47 7.85 1n7pA1 MET 617 HA -0.00 0.10 0.34 -0.75 4.52 4.20 1n7pA1 MET 617 HB2 0.15 0.01 -0.10 -0.04 2.15 2.17 1n7pA1 MET 617 HB3 0.07 0.06 -0.10 -0.04 2.03 2.03 1n7pA1 MET 617 HG2 0.19 0.12 -0.14 -0.04 2.63 2.76 1n7pA1 MET 617 HG3 0.15 -0.10 -0.26 -0.04 2.56 2.31 1n7pA1 MET 617 HE3 0.06 0.00 -0.09 -0.04 2.10 2.02 1n7pA1 PRO 618 HA 0.06 0.03 0.17 -0.51 4.44 4.20 1n7pA1 PRO 618 HB2 -0.59 0.13 0.12 -0.04 2.28 1.90 1n7pA1 PRO 618 HB3 -0.16 -0.07 0.03 -0.04 2.02 1.78 1n7pA1 PRO 618 HG2 -0.19 0.07 0.15 -0.04 2.03 2.01 1n7pA1 PRO 618 HG3 -0.05 -0.09 0.14 -0.04 2.03 1.98 1n7pA1 PRO 618 HD2 -0.12 0.07 0.18 -0.04 3.68 3.77 1n7pA1 PRO 618 HD3 -0.05 0.16 0.22 -0.04 3.65 3.93 1n7pA1 GLY 619 H 0.24 0.66 0.12 -0.55 8.43 8.91 1n7pA1 GLY 619 HA2 0.43 -0.06 0.36 -0.51 4.01 4.23 1n7pA1 GLY 619 HA3 0.63 0.13 0.75 -0.51 4.01 5.02 1n7pA1 THR 620 H 0.14 0.38 -0.31 -0.55 8.28 7.94 1n7pA1 THR 620 HA 0.10 0.26 0.24 -0.75 4.39 4.24 1n7pA1 THR 620 HB 0.01 -0.04 -0.07 -0.04 4.32 4.18 1n7pA1 THR 620 HG23 0.16 0.04 -0.39 -0.04 1.22 0.99 1n7pA1 THR 621 H -0.11 0.27 0.16 -0.55 8.28 8.05 1n7pA1 THR 621 HA 0.11 0.22 0.92 -0.75 4.39 4.89 1n7pA1 THR 621 HB 0.01 -0.02 0.07 -0.04 4.32 4.34 1n7pA1 THR 621 HG23 0.17 -0.02 -0.27 -0.04 1.22 1.06 1n7pA1 GLU 622 H 0.10 0.65 0.31 -0.55 8.60 9.11 1n7pA1 GLU 622 HA 0.14 0.02 0.81 -0.75 4.29 4.51 1n7pA1 GLU 622 HB2 -0.07 0.10 -0.06 -0.04 2.09 2.02 1n7pA1 GLU 622 HB3 -0.19 0.02 0.11 -0.04 1.99 1.89 1n7pA1 GLU 622 HG2 -0.14 -0.09 -0.67 -0.04 2.34 1.40 1n7pA1 GLU 622 HG3 -0.71 0.05 -0.15 -0.04 2.34 1.48 1n7pA1 THR 623 H 0.16 0.02 0.14 -0.55 8.28 8.04 1n7pA1 THR 623 HA 0.10 0.38 0.91 -0.75 4.39 5.03 1n7pA1 THR 623 HB 0.09 -0.04 -0.03 -0.04 4.32 4.30 1n7pA1 THR 623 HG23 0.10 -0.00 -0.12 -0.04 1.22 1.15 1n7pA1 ASP 624 H 0.07 0.22 0.13 -0.55 8.40 8.26 1n7pA1 ASP 624 HA 0.06 0.26 0.56 -0.75 4.63 4.75 1n7pA1 ASP 624 HB2 -0.05 0.02 0.08 -0.04 2.71 2.72 1n7pA1 ASP 624 HB3 0.01 0.06 -0.03 -0.04 2.70 2.70 1n7pA1 ALA 625 H 0.15 -0.03 -0.38 -0.55 8.40 7.59 1n7pA1 ALA 625 HA 0.07 -0.03 0.43 -0.75 4.34 4.06 1n7pA1 ALA 625 HB3 0.28 0.00 0.01 -0.04 1.41 1.66 1n7pA1 LYS 626 H 0.02 0.03 0.16 -0.55 8.42 8.07 1n7pA1 LYS 626 HA -0.03 0.09 0.56 -0.75 4.32 4.18 1n7pA1 LYS 626 HB2 -0.03 0.03 0.12 -0.04 1.87 1.94 1n7pA1 LYS 626 HB3 0.01 -0.06 0.11 -0.04 1.79 1.81 1n7pA1 LYS 626 HG2 -0.02 -0.07 -0.31 -0.04 1.46 1.02 1n7pA1 LYS 626 HG3 0.00 0.07 -0.01 -0.04 1.46 1.48 1n7pA1 LYS 626 HD2 -0.00 0.00 0.01 -0.04 1.69 1.66 1n7pA1 LYS 626 HD3 0.01 -0.03 -0.04 -0.04 1.68 1.58 1n7pA1 LYS 626 HE2 0.04 0.01 0.00 -0.04 2.99 3.00 1n7pA1 LYS 626 HE3 0.03 -0.03 -0.03 -0.04 2.99 2.92 1n7pA1 ARG 627 H -0.10 0.19 0.15 -0.55 8.46 8.15 1n7pA1 ARG 627 HA -0.61 0.13 0.80 -0.75 4.34 3.91 1n7pA1 ARG 627 HB2 -2.67 -0.00 -0.01 -0.04 1.90 -0.82 1n7pA1 ARG 627 HB3 -2.21 0.05 -0.03 -0.04 1.80 -0.43 1n7pA1 ARG 627 HG2 -0.55 0.13 -0.32 -0.04 1.67 0.88 1n7pA1 ARG 627 HG3 -1.51 -0.01 -0.10 -0.04 1.67 0.01 1n7pA1 ARG 627 HD2 -1.06 0.16 -0.07 -0.04 3.22 2.21 1n7pA1 ARG 627 HD3 -1.34 -0.06 -0.10 -0.04 3.22 1.68 1n7pA1 ALA 628 H -0.36 0.15 0.11 -0.55 8.40 7.75 1n7pA1 ALA 628 HA 0.04 0.14 0.75 -0.75 4.34 4.51 1n7pA1 ALA 628 HB3 0.01 -0.00 0.07 -0.04 1.41 1.45 1n7pA1 ASP 629 H 0.19 0.16 0.19 -0.55 8.40 8.39 1n7pA1 ASP 629 HA 0.33 0.33 0.53 -0.75 4.63 5.07 1n7pA1 ASP 629 HB2 0.13 -0.08 0.10 -0.04 2.71 2.83 1n7pA1 ASP 629 HB3 0.10 0.01 0.04 -0.04 2.70 2.81 1n7pA1 SER 630 H 0.15 -0.04 -0.25 -0.55 8.46 7.77 1n7pA1 SER 630 HA 0.17 0.10 0.37 -0.75 4.49 4.37 1n7pA1 SER 630 HB2 0.04 0.02 0.06 -0.04 3.95 4.03 1n7pA1 SER 630 HB3 0.08 -0.03 0.05 -0.04 3.93 3.99 1n7pA1 ASP 631 H 0.22 0.25 -0.49 -0.55 8.40 7.82 1n7pA1 ASP 631 HA 0.08 -0.02 0.38 -0.75 4.63 4.32 1n7pA1 ASP 631 HB2 0.26 0.14 0.05 -0.04 2.71 3.13 1n7pA1 ASP 631 HB3 0.19 0.10 0.04 -0.04 2.70 2.98 1n7pA1 THR 632 H 0.06 0.15 0.22 -0.55 8.28 8.16 1n7pA1 THR 632 HA -0.13 0.16 0.71 -0.75 4.39 4.39 1n7pA1 THR 632 HB -0.14 -0.11 0.25 -0.04 4.32 4.28 1n7pA1 THR 632 HG23 -0.20 0.04 -0.03 -0.04 1.22 0.99 1n7pA1 GLY 633 H -0.37 0.06 0.20 -0.55 8.43 7.77 1n7pA1 GLY 633 HA2 -0.12 0.03 0.40 -0.51 4.01 3.81 1n7pA1 GLY 633 HA3 -0.31 0.16 0.44 -0.51 4.01 3.79 1n7pA1 LYS 634 H 0.03 0.13 0.32 -0.55 8.42 8.34 1n7pA1 LYS 634 HA 0.09 0.13 0.81 -0.75 4.32 4.59 1n7pA1 LYS 634 HB2 0.24 -0.03 0.06 -0.04 1.87 2.10 1n7pA1 LYS 634 HB3 0.19 0.12 0.15 -0.04 1.79 2.21 1n7pA1 LYS 634 HG2 0.18 -0.01 -0.25 -0.04 1.46 1.34 1n7pA1 LYS 634 HG3 0.23 0.03 0.03 -0.04 1.46 1.70 1n7pA1 LYS 634 HD2 0.12 -0.02 0.05 -0.04 1.69 1.80 1n7pA1 LYS 634 HD3 0.09 0.11 0.09 -0.04 1.68 1.93 1n7pA1 LYS 634 HE2 0.18 -0.03 0.01 -0.04 2.99 3.10 1n7pA1 LYS 634 HE3 0.11 -0.06 0.02 -0.04 2.99 3.01 1n7pA1 VAL 635 H 0.14 0.10 0.12 -0.55 8.24 8.05 1n7pA1 VAL 635 HA 0.39 0.32 0.92 -0.75 4.13 5.01 1n7pA1 VAL 635 HB 0.16 0.13 0.13 -0.04 2.12 2.50 1n7pA1 VAL 635 HG13 0.11 -0.02 -0.24 -0.04 0.97 0.78 1n7pA1 VAL 635 HG23 0.10 -0.01 -0.09 -0.04 0.95 0.91 1n7pA1 LEU 636 H 0.18 0.45 -0.10 -0.55 8.37 8.35 1n7pA1 LEU 636 HA 0.08 0.17 0.64 -0.75 4.35 4.49 1n7pA1 LEU 636 HB2 -0.94 0.04 -0.10 -0.04 1.64 0.60 1n7pA1 LEU 636 HB3 -0.17 -0.11 -0.08 -0.04 1.64 1.23 1n7pA1 LEU 636 HG -0.09 -0.20 0.09 -0.04 1.64 1.40 1n7pA1 LEU 636 HD13 -0.29 -0.04 0.11 -0.04 0.93 0.67 1n7pA1 LEU 636 HD23 -0.14 0.11 0.03 -0.04 0.89 0.85 1n7pA1 PRO 637 HA 0.04 0.08 0.51 -0.51 4.44 4.55 1n7pA1 PRO 637 HB2 0.01 -0.01 0.07 -0.04 2.28 2.32 1n7pA1 PRO 637 HB3 0.02 0.01 0.10 -0.04 2.02 2.10 1n7pA1 PRO 637 HG2 -0.01 0.01 0.09 -0.04 2.03 2.09 1n7pA1 PRO 637 HG3 0.03 0.06 0.08 -0.04 2.03 2.16 1n7pA1 PRO 637 HD2 -0.02 0.07 0.25 -0.04 3.68 3.94 1n7pA1 PRO 637 HD3 0.07 0.25 0.22 -0.04 3.65 4.14 1n7pA1 SER 638 H 0.01 0.13 -0.19 -0.55 8.46 7.86 1n7pA1 SER 638 HA 0.04 0.15 0.62 -0.75 4.49 4.56 1n7pA1 SER 638 HB2 0.07 0.05 0.06 -0.04 3.95 4.09 1n7pA1 SER 638 HB3 0.08 0.19 0.14 -0.04 3.93 4.29 1n7pA1 ALA 639 H 0.06 0.18 0.21 -0.55 8.40 8.31 1n7pA1 ALA 639 HA 0.03 0.04 0.88 -0.75 4.34 4.53 1n7pA1 ALA 639 HB3 0.03 0.05 0.17 -0.04 1.41 1.62 1n7pA1 PHE 640 H 0.18 0.05 -0.13 -0.55 8.34 7.89 1n7pA1 PHE 640 HA -0.08 0.06 0.44 -0.75 4.62 4.28 1n7pA1 PHE 640 HB2 -0.07 -0.02 0.11 -0.04 3.15 3.13 1n7pA1 PHE 640 HB3 -0.04 -0.02 0.23 -0.04 3.06 3.19 1n7pA1 PHE 640 HD2 -0.30 -0.07 -0.01 -0.04 7.28 6.86 1n7pA1 PHE 640 HE2 -0.88 -0.01 -0.11 -0.04 7.38 6.35 1n7pA1 PHE 640 HZ -0.34 0.18 0.08 -0.04 7.32 7.20 1n7pA1 VAL 641 H -0.10 0.61 0.08 -0.55 8.24 8.27 1n7pA1 VAL 641 HA -0.03 0.28 0.89 -0.75 4.13 4.52 1n7pA1 VAL 641 HB 0.01 -0.04 -0.01 -0.04 2.12 2.04 1n7pA1 VAL 641 HG13 0.06 0.04 -0.03 -0.04 0.97 1.00 1n7pA1 VAL 641 HG23 0.04 -0.01 -0.15 -0.04 0.95 0.78 1n7pA1 GLY 642 H -0.03 0.49 0.33 -0.55 8.43 8.67 1n7pA1 GLY 642 HA2 0.05 0.05 0.38 -0.51 4.01 3.97 1n7pA1 GLY 642 HA3 0.14 0.09 0.49 -0.51 4.01 4.22 1n7pA1 THR 643 H -0.05 0.21 0.14 -0.55 8.28 8.03 1n7pA1 THR 643 HA -0.02 0.36 1.10 -0.75 4.39 5.06 1n7pA1 THR 643 HB -0.12 -0.07 0.02 -0.04 4.32 4.10 1n7pA1 THR 643 HG23 -0.06 -0.01 -0.39 -0.04 1.22 0.73 1n7pA1 SER 644 H -0.03 0.64 0.27 -0.55 8.46 8.78 1n7pA1 SER 644 HA -0.15 0.14 0.83 -0.75 4.49 4.55 1n7pA1 SER 644 HB2 -0.03 0.03 -0.09 -0.04 3.95 3.81 1n7pA1 SER 644 HB3 0.01 -0.09 -0.08 -0.04 3.93 3.73 1n7pA1 LYS 645 H -0.11 0.23 0.07 -0.55 8.42 8.06 1n7pA1 LYS 645 HA -0.02 0.08 0.89 -0.75 4.32 4.51 1n7pA1 LYS 645 HB2 -0.08 -0.05 -0.04 -0.04 1.87 1.66 1n7pA1 LYS 645 HB3 -0.08 -0.00 0.12 -0.04 1.79 1.79 1n7pA1 LYS 645 HG2 -0.02 -0.02 -0.51 -0.04 1.46 0.86 1n7pA1 LYS 645 HG3 -0.02 0.11 -0.05 -0.04 1.46 1.46 1n7pA1 LYS 645 HD2 -0.07 -0.05 -0.03 -0.04 1.69 1.50 1n7pA1 LYS 645 HD3 -0.05 -0.05 -0.04 -0.04 1.68 1.50 1n7pA1 LYS 645 HE2 -0.01 -0.11 -0.25 -0.04 2.99 2.57 1n7pA1 LYS 645 HE3 -0.01 0.10 -0.14 -0.04 2.99 2.90 1n7pA1 LEU 646 H 0.02 0.47 0.34 -0.55 8.37 8.66 1n7pA1 LEU 646 HA 0.02 0.15 0.81 -0.75 4.35 4.58 1n7pA1 LEU 646 HB2 0.07 -0.00 -0.06 -0.04 1.64 1.60 1n7pA1 LEU 646 HB3 0.05 -0.02 0.08 -0.04 1.64 1.71 1n7pA1 LEU 646 HG 0.03 -0.02 -0.35 -0.04 1.64 1.26 1n7pA1 LEU 646 HD13 0.04 0.04 -0.18 -0.04 0.93 0.78 1n7pA1 LEU 646 HD23 0.08 -0.02 -0.24 -0.04 0.89 0.66 1n7pA1 ASP 647 H 0.02 0.29 0.25 -0.55 8.40 8.41 1n7pA1 ASP 647 HA 0.01 0.25 0.59 -0.75 4.63 4.72 1n7pA1 ASP 647 HB2 0.01 -0.12 0.21 -0.04 2.71 2.77 1n7pA1 ASP 647 HB3 0.02 0.18 -0.07 -0.04 2.70 2.78 1n7pA1 ASP 648 H 0.01 0.19 0.13 -0.55 8.40 8.18 1n7pA1 ASP 648 HA 0.02 0.12 0.34 -0.75 4.63 4.36 1n7pA1 ASP 648 HB2 0.01 -0.04 0.01 -0.04 2.71 2.65 1n7pA1 ASP 648 HB3 0.03 0.10 -0.10 -0.04 2.70 2.68 1n7pA1 ALA 649 H 0.00 -0.09 -0.46 -0.55 8.40 7.31 1n7pA1 ALA 649 HA -0.04 0.29 0.86 -0.75 4.34 4.70 1n7pA1 ALA 649 HB3 -0.02 -0.01 -0.04 -0.04 1.41 1.30 1n7pA1 ASN 650 H 0.01 0.08 -0.06 -0.55 8.53 8.02 1n7pA1 ASN 650 HA 0.04 0.41 1.01 -0.75 4.76 5.47 1n7pA1 ASN 650 HB2 0.04 -0.13 0.04 -0.04 2.88 2.80 1n7pA1 ASN 650 HB3 0.07 0.09 -0.03 -0.04 2.79 2.88 1n7pA1 ASN 650 HD21 0.01 0.06 -0.18 -0.04 7.03 6.88 1n7pA1 ASN 650 HD22 0.02 -0.08 -0.14 -0.04 7.74 7.50 1n7pA1 ALA 651 H 0.05 0.67 0.40 -0.55 8.40 8.97 1n7pA1 ALA 651 HA 0.03 0.14 0.83 -0.75 4.34 4.58 1n7pA1 ALA 651 HB3 0.00 0.01 -0.18 -0.04 1.41 1.20 1n7pA1 THR 652 H 0.01 0.63 0.32 -0.55 8.28 8.70 1n7pA1 THR 652 HA -0.09 0.25 1.08 -0.75 4.39 4.87 1n7pA1 THR 652 HB 0.04 -0.05 0.05 -0.04 4.32 4.32 1n7pA1 THR 652 HG23 -0.28 -0.00 -0.02 -0.04 1.22 0.88 1n7pA1 ALA 653 H -0.08 0.68 0.42 -0.55 8.40 8.87 1n7pA1 ALA 653 HA 0.02 0.32 1.08 -0.75 4.34 5.00 1n7pA1 ALA 653 HB3 0.13 -0.02 -0.11 -0.04 1.41 1.37 1n7pA1 THR 654 H 0.06 0.48 0.37 -0.55 8.28 8.64 1n7pA1 THR 654 HA 0.23 0.26 0.84 -0.75 4.39 4.97 1n7pA1 THR 654 HB -0.00 -0.04 -0.18 -0.04 4.32 4.06 1n7pA1 THR 654 HG23 -0.38 0.01 -0.22 -0.04 1.22 0.59 1n7pA1 MET 655 H 0.26 0.64 0.32 -0.55 8.47 9.15 1n7pA1 MET 655 HA 0.20 0.13 0.87 -0.75 4.52 4.96 1n7pA1 MET 655 HB2 0.43 0.02 -0.09 -0.04 2.15 2.46 1n7pA1 MET 655 HB3 0.53 -0.00 0.10 -0.04 2.03 2.62 1n7pA1 MET 655 HG2 0.34 -0.04 -0.34 -0.04 2.63 2.55 1n7pA1 MET 655 HG3 0.18 0.09 0.06 -0.04 2.56 2.85 1n7pA1 MET 655 HE3 0.25 0.03 0.09 -0.04 2.10 2.43 1n7pA1 ASP 656 H 0.24 0.47 0.18 -0.55 8.40 8.75 1n7pA1 ASP 656 HA 0.43 0.06 0.70 -0.75 4.63 5.06 1n7pA1 ASP 656 HB2 0.49 0.04 0.20 -0.04 2.71 3.39 1n7pA1 ASP 656 HB3 0.25 -0.10 0.25 -0.04 2.70 3.07 1n7pA1 PHE 657 H 0.41 0.59 0.45 -0.55 8.34 9.23 1n7pA1 PHE 657 HA 0.11 0.04 0.35 -0.75 4.62 4.37 1n7pA1 PHE 657 HB2 0.22 0.01 0.03 -0.04 3.15 3.37 1n7pA1 PHE 657 HB3 0.17 0.08 0.22 -0.04 3.06 3.48 1n7pA1 PHE 657 HD2 0.17 -0.06 -0.15 -0.04 7.28 7.21 1n7pA1 PHE 657 HE2 0.28 -0.03 -0.08 -0.04 7.38 7.51 1n7pA1 PHE 657 HZ 0.25 -0.09 -0.01 -0.04 7.32 7.42 1n7pA1 THR 658 H -0.41 0.27 0.32 -0.55 8.28 7.91 1n7pA1 THR 658 HA -0.34 0.28 0.93 -0.75 4.39 4.50 1n7pA1 THR 658 HB -0.14 -0.01 0.19 -0.04 4.32 4.31 1n7pA1 THR 658 HG23 -0.11 0.02 0.08 -0.04 1.22 1.17 1n7pA1 ASN 659 H -0.28 0.37 0.31 -0.55 8.53 8.38 1n7pA1 ASN 659 HA -0.07 0.25 0.57 -0.75 4.76 4.76 1n7pA1 ASN 659 HB2 0.39 0.01 0.22 -0.04 2.88 3.46 1n7pA1 ASN 659 HB3 0.17 0.15 0.12 -0.04 2.79 3.19 1n7pA1 ASN 659 HD21 -0.04 -0.03 -0.02 -0.04 7.03 6.91 1n7pA1 ASN 659 HD22 0.23 0.07 0.06 -0.04 7.74 8.06 1n7pA1 TRP 660 H 0.62 0.15 0.18 -0.55 7.97 8.38 1n7pA1 TRP 660 HA 0.16 0.17 0.22 -0.75 4.62 4.41 1n7pA1 TRP 660 HB2 0.14 0.07 0.08 -0.04 3.23 3.47 1n7pA1 TRP 660 HB3 0.25 0.06 0.13 -0.04 3.23 3.62 1n7pA1 TRP 660 HD1 0.28 -0.01 0.10 -0.04 7.22 7.56 1n7pA1 TRP 660 HE1 0.12 -0.01 -0.03 -0.04 10.20 10.24 1n7pA1 TRP 660 HE3 0.05 0.05 -0.14 -0.04 7.59 7.51 1n7pA1 TRP 660 HZ2 0.01 0.01 -0.05 -0.04 7.44 7.36 1n7pA1 TRP 660 HZ3 0.01 0.00 -0.03 -0.04 7.13 7.08 1n7pA1 TRP 660 HH2 -0.01 0.01 -0.01 -0.04 7.19 7.13 1n7pA1 ASN 661 H -0.92 -0.08 -0.24 -0.55 8.53 6.74 1n7pA1 ASN 661 HA -0.45 0.29 0.84 -0.75 4.76 4.69 1n7pA1 ASN 661 HB2 -0.77 0.06 0.12 -0.04 2.88 2.25 1n7pA1 ASN 661 HB3 -2.62 0.03 -0.04 -0.04 2.79 0.12 1n7pA1 ASN 661 HD21 -0.25 -0.06 -0.03 -0.04 7.03 6.64 1n7pA1 ASN 661 HD22 -0.60 0.07 -0.02 -0.04 7.74 7.15 1n7pA1 GLN 662 H -0.21 0.47 -0.24 -0.55 8.47 7.94 1n7pA1 GLN 662 HA -0.12 0.04 0.32 -0.75 4.36 3.84 1n7pA1 GLN 662 HB2 -0.11 0.14 -0.14 -0.04 2.15 2.00 1n7pA1 GLN 662 HB3 -0.08 -0.02 0.17 -0.04 2.02 2.06 1n7pA1 GLN 662 HG2 -0.04 -0.01 -0.01 -0.04 2.40 2.29 1n7pA1 GLN 662 HG3 -0.06 0.04 0.01 -0.04 2.39 2.34 1n7pA1 GLN 662 HE21 0.02 0.09 -0.04 -0.04 6.97 7.00 1n7pA1 GLN 662 HE22 0.00 0.03 -0.04 -0.04 7.69 7.64 1n7pA1 THR 663 H -0.19 -0.09 -0.18 -0.55 8.28 7.28 1n7pA1 THR 663 HA -0.08 0.31 0.89 -0.75 4.39 4.75 1n7pA1 THR 663 HB -0.05 -0.18 0.13 -0.04 4.32 4.17 1n7pA1 THR 663 HG23 -0.15 0.07 -0.15 -0.04 1.22 0.96 1n7pA1 LEU 664 H -0.07 0.02 0.14 -0.55 8.37 7.92 1n7pA1 LEU 664 HA 0.01 0.50 1.10 -0.75 4.35 5.21 1n7pA1 LEU 664 HB2 0.07 -0.07 -0.15 -0.04 1.64 1.46 1n7pA1 LEU 664 HB3 0.12 -0.13 0.04 -0.04 1.64 1.62 1n7pA1 LEU 664 HG 0.09 0.29 0.16 -0.04 1.64 2.13 1n7pA1 LEU 664 HD13 0.13 -0.03 -0.25 -0.04 0.93 0.74 1n7pA1 LEU 664 HD23 0.32 0.00 -0.43 -0.04 0.89 0.74 1n7pA1 THR 665 H 0.02 0.44 0.37 -0.55 8.28 8.56 1n7pA1 THR 665 HA 0.01 0.30 0.93 -0.75 4.39 4.88 1n7pA1 THR 665 HB 0.02 0.09 0.17 -0.04 4.32 4.55 1n7pA1 THR 665 HG23 -0.03 -0.03 -0.11 -0.04 1.22 1.01 1n7pA1 ALA 666 H 0.23 0.60 0.30 -0.55 8.40 8.99 1n7pA1 ALA 666 HA -0.03 0.21 0.25 -0.75 4.34 4.01 1n7pA1 ALA 666 HB3 0.15 0.01 -0.06 -0.04 1.41 1.47 1n7pA1 HIS 667 H -0.11 0.58 0.18 -0.55 8.41 8.52 1n7pA1 HIS 667 HA 0.06 0.13 0.93 -0.75 4.63 4.99 1n7pA1 HIS 667 HB2 -0.23 -0.08 0.13 -0.04 3.26 3.04 1n7pA1 HIS 667 HB3 -0.29 0.01 -0.04 -0.04 3.20 2.84 1n7pA1 HIS 667 HD2 -0.58 0.03 -0.04 -0.04 6.97 6.33 1n7pA1 HIS 667 HE1 -0.09 -0.02 -0.02 -0.04 7.75 7.58 1n7pA1 LYS 668 H 0.17 0.55 0.27 -0.55 8.42 8.86 1n7pA1 LYS 668 HA -0.21 0.27 1.05 -0.75 4.32 4.67 1n7pA1 LYS 668 HB2 0.03 -0.02 0.17 -0.04 1.87 2.02 1n7pA1 LYS 668 HB3 -0.51 0.07 0.02 -0.04 1.79 1.32 1n7pA1 LYS 668 HG2 0.14 0.00 -0.08 -0.04 1.46 1.48 1n7pA1 LYS 668 HG3 0.13 -0.09 -0.22 -0.04 1.46 1.23 1n7pA1 LYS 668 HD2 -0.12 -0.07 -0.04 -0.04 1.69 1.42 1n7pA1 LYS 668 HD3 0.06 -0.03 -0.04 -0.04 1.68 1.62 1n7pA1 LYS 668 HE2 0.13 0.18 0.07 -0.04 2.99 3.33 1n7pA1 LYS 668 HE3 0.37 -0.03 -0.00 -0.04 2.99 3.29 1n7pA1 SER 669 H -0.50 0.76 0.44 -0.55 8.46 8.62 1n7pA1 SER 669 HA -0.28 0.19 0.99 -0.75 4.49 4.63 1n7pA1 SER 669 HB2 0.08 -0.05 0.01 -0.04 3.95 3.95 1n7pA1 SER 669 HB3 -0.28 0.02 0.06 -0.04 3.93 3.69 1n7pA1 TRP 670 H -0.07 0.64 0.35 -0.55 7.97 8.35 1n7pA1 TRP 670 HA -0.12 0.38 1.02 -0.75 4.62 5.15 1n7pA1 TRP 670 HB2 -0.12 -0.10 0.00 -0.04 3.23 2.98 1n7pA1 TRP 670 HB3 -0.21 -0.01 -0.07 -0.04 3.23 2.91 1n7pA1 TRP 670 HD1 -1.11 -0.02 -0.12 -0.04 7.22 5.93 1n7pA1 TRP 670 HE1 0.23 0.10 -0.11 -0.04 10.20 10.37 1n7pA1 TRP 670 HE3 -0.03 -0.04 -0.40 -0.04 7.59 7.08 1n7pA1 TRP 670 HZ2 0.19 0.20 -0.06 -0.04 7.44 7.74 1n7pA1 TRP 670 HZ3 0.07 -0.06 -0.40 -0.04 7.13 6.71 1n7pA1 TRP 670 HH2 0.13 0.00 -0.13 -0.04 7.19 7.14 1n7pA1 PHE 671 H 0.23 0.60 0.23 -0.55 8.34 8.85 1n7pA1 PHE 671 HA 0.09 0.19 1.02 -0.75 4.62 5.17 1n7pA1 PHE 671 HB2 0.05 -0.10 0.20 -0.04 3.15 3.26 1n7pA1 PHE 671 HB3 0.07 0.03 0.05 -0.04 3.06 3.17 1n7pA1 PHE 671 HD2 0.05 0.07 -0.11 -0.04 7.28 7.25 1n7pA1 PHE 671 HE2 0.02 0.05 -0.37 -0.04 7.38 7.03 1n7pA1 PHE 671 HZ 0.04 0.00 -0.32 -0.04 7.32 7.01 1n7pA1 MET 672 H 0.06 0.59 0.25 -0.55 8.47 8.82 1n7pA1 MET 672 HA -0.04 0.13 0.73 -0.75 4.52 4.58 1n7pA1 MET 672 HB2 0.03 -0.03 0.15 -0.04 2.15 2.26 1n7pA1 MET 672 HB3 -0.00 0.05 -0.02 -0.04 2.03 2.01 1n7pA1 MET 672 HG2 -0.20 0.05 -0.15 -0.04 2.63 2.29 1n7pA1 MET 672 HG3 -0.04 -0.08 -0.23 -0.04 2.56 2.18 1n7pA1 MET 672 HE3 0.05 0.00 -0.38 -0.04 2.10 1.73 1n7pA1 LEU 673 H 0.03 0.68 0.23 -0.55 8.37 8.77 1n7pA1 LEU 673 HA 0.05 0.12 0.88 -0.75 4.35 4.64 1n7pA1 LEU 673 HB2 0.05 0.04 0.07 -0.04 1.64 1.76 1n7pA1 LEU 673 HB3 0.02 -0.07 0.11 -0.04 1.64 1.66 1n7pA1 LEU 673 HG 0.14 -0.02 -0.71 -0.04 1.64 1.01 1n7pA1 LEU 673 HD13 0.09 -0.01 -0.17 -0.04 0.93 0.80 1n7pA1 LEU 673 HD23 0.09 0.00 -0.15 -0.04 0.89 0.79 1n7pA1 LYS 674 H 0.02 0.55 -0.03 -0.55 8.42 8.41 1n7pA1 LYS 674 HA -0.02 0.13 0.44 -0.75 4.32 4.12 1n7pA1 LYS 674 HB2 -0.01 -0.05 -0.16 -0.04 1.87 1.61 1n7pA1 LYS 674 HB3 0.00 0.09 -0.04 -0.04 1.79 1.80 1n7pA1 LYS 674 HG2 -0.01 0.02 -0.18 -0.04 1.46 1.25 1n7pA1 LYS 674 HG3 -0.04 -0.03 -0.03 -0.04 1.46 1.32 1n7pA1 LYS 674 HD2 -0.03 -0.02 -0.04 -0.04 1.69 1.56 1n7pA1 LYS 674 HD3 -0.02 -0.03 -0.06 -0.04 1.68 1.53 1n7pA1 LYS 674 HE2 -0.02 0.01 -0.05 -0.04 2.99 2.89 1n7pA1 LYS 674 HE3 -0.02 -0.01 -0.08 -0.04 2.99 2.84 1n7pA1 ASP 675 H 0.06 0.51 0.39 -0.55 8.40 8.81 1n7pA1 ASP 675 HA 0.35 0.17 0.86 -0.75 4.63 5.26 1n7pA1 ASP 675 HB2 0.14 0.05 0.16 -0.04 2.71 3.02 1n7pA1 ASP 675 HB3 0.07 -0.07 -0.03 -0.04 2.70 2.64 1n7pA1 LYS 676 H 0.11 0.20 -0.21 -0.55 8.42 7.97 1n7pA1 LYS 676 HA -0.06 0.23 0.68 -0.75 4.32 4.42 1n7pA1 LYS 676 HB2 0.03 0.05 -0.01 -0.04 1.87 1.91 1n7pA1 LYS 676 HB3 0.02 0.10 -0.24 -0.04 1.79 1.62 1n7pA1 LYS 676 HG2 0.04 0.00 -0.05 -0.04 1.46 1.41 1n7pA1 LYS 676 HG3 0.06 -0.03 -0.23 -0.04 1.46 1.21 1n7pA1 LYS 676 HD2 0.04 0.01 -0.12 -0.04 1.69 1.57 1n7pA1 LYS 676 HD3 0.01 0.01 -0.14 -0.04 1.68 1.53 1n7pA1 LYS 676 HE2 0.01 -0.03 -0.04 -0.04 2.99 2.89 1n7pA1 LYS 676 HE3 -0.02 -0.04 -0.03 -0.04 2.99 2.86 1n7pA1 ILE 677 H -0.00 0.59 0.28 -0.55 8.25 8.57 1n7pA1 ILE 677 HA -0.04 0.27 0.95 -0.75 4.18 4.60 1n7pA1 ILE 677 HB -0.19 -0.01 0.05 -0.04 1.89 1.69 1n7pA1 ILE 677 HG12 -1.41 0.00 -0.18 -0.04 1.49 -0.13 1n7pA1 ILE 677 HG13 -0.31 0.06 -0.28 -0.04 1.21 0.64 1n7pA1 ILE 677 HG23 -0.45 0.00 -0.28 -0.04 0.93 0.16 1n7pA1 ILE 677 HD13 -0.30 -0.00 -0.26 -0.04 0.88 0.28 1n7pA1 ALA 678 H 0.17 0.50 0.30 -0.55 8.40 8.82 1n7pA1 ALA 678 HA 0.26 0.22 1.14 -0.75 4.34 5.20 1n7pA1 ALA 678 HB3 0.27 -0.01 0.04 -0.04 1.41 1.66 1n7pA1 PHE 679 H 0.16 0.78 0.40 -0.55 8.34 9.13 1n7pA1 PHE 679 HA -0.13 0.25 0.95 -0.75 4.62 4.94 1n7pA1 PHE 679 HB2 -1.20 -0.07 0.19 -0.04 3.15 2.02 1n7pA1 PHE 679 HB3 -0.22 0.06 -0.01 -0.04 3.06 2.85 1n7pA1 PHE 679 HD2 0.09 0.05 -0.08 -0.04 7.28 7.30 1n7pA1 PHE 679 HE2 0.10 0.02 -0.07 -0.04 7.38 7.39 1n7pA1 PHE 679 HZ -0.56 -0.02 -0.12 -0.04 7.32 6.58 1n7pA1 LEU 680 H -0.04 0.63 0.28 -0.55 8.37 8.69 1n7pA1 LEU 680 HA -0.07 0.25 1.09 -0.75 4.35 4.87 1n7pA1 LEU 680 HB2 0.12 -0.06 0.06 -0.04 1.64 1.72 1n7pA1 LEU 680 HB3 -0.08 0.05 0.10 -0.04 1.64 1.67 1n7pA1 LEU 680 HG -0.05 -0.07 -0.25 -0.04 1.64 1.23 1n7pA1 LEU 680 HD13 -0.31 0.00 -0.05 -0.04 0.93 0.53 1n7pA1 LEU 680 HD23 -0.05 0.04 0.03 -0.04 0.89 0.87 1n7pA1 GLY 681 H -0.89 0.67 0.37 -0.55 8.43 8.03 1n7pA1 GLY 681 HA2 -0.40 0.45 0.89 -0.51 4.01 4.43 1n7pA1 GLY 681 HA3 -1.22 -0.03 0.40 -0.51 4.01 2.65 1n7pA1 SER 682 H -0.16 0.50 0.27 -0.55 8.46 8.52 1n7pA1 SER 682 HA -0.15 0.24 0.81 -0.75 4.49 4.63 1n7pA1 SER 682 HB2 -0.10 -0.14 -0.14 -0.04 3.95 3.53 1n7pA1 SER 682 HB3 -0.10 0.04 -0.33 -0.04 3.93 3.49 1n7pA1 ASN 683 H -0.14 0.22 0.07 -0.55 8.53 8.14 1n7pA1 ASN 683 HA -0.16 -0.01 0.30 -0.75 4.76 4.13 1n7pA1 ASN 683 HB2 -0.45 -0.06 -0.19 -0.04 2.88 2.14 1n7pA1 ASN 683 HB3 -0.69 0.05 -0.01 -0.04 2.79 2.09 1n7pA1 ASN 683 HD21 -0.13 0.01 0.01 -0.04 7.03 6.87 1n7pA1 ASN 683 HD22 -0.15 -0.02 0.06 -0.04 7.74 7.59 1n7pA1 ILE 684 H -0.12 0.46 -0.19 -0.55 8.25 7.86 1n7pA1 ILE 684 HA -0.06 0.41 0.64 -0.75 4.18 4.41 1n7pA1 ILE 684 HB -0.15 -0.11 -0.05 -0.04 1.89 1.54 1n7pA1 ILE 684 HG12 -0.10 0.04 -0.13 -0.04 1.49 1.25 1n7pA1 ILE 684 HG13 -0.16 -0.00 -0.39 -0.04 1.21 0.61 1n7pA1 ILE 684 HG23 -0.16 0.01 -0.19 -0.04 0.93 0.55 1n7pA1 ILE 684 HD13 -0.45 -0.04 -0.36 -0.04 0.88 -0.01 1n7pA1 GLN 685 H -0.02 0.50 0.41 -0.55 8.47 8.81 1n7pA1 GLN 685 HA -0.01 0.07 0.90 -0.75 4.36 4.57 1n7pA1 GLN 685 HB2 -0.03 -0.01 0.02 -0.04 2.15 2.09 1n7pA1 GLN 685 HB3 -0.03 0.01 -0.03 -0.04 2.02 1.94 1n7pA1 GLN 685 HG2 -0.04 -0.08 -0.13 -0.04 2.40 2.10 1n7pA1 GLN 685 HG3 -0.07 0.04 -0.72 -0.04 2.39 1.59 1n7pA1 GLN 685 HE21 -0.05 0.01 -0.05 -0.04 6.97 6.84 1n7pA1 GLN 685 HE22 -0.04 -0.03 -0.06 -0.04 7.69 7.51 1n7pA1 ASN 686 H 0.00 0.24 0.12 -0.55 8.53 8.35 1n7pA1 ASN 686 HA 0.01 0.33 1.04 -0.75 4.76 5.39 1n7pA1 ASN 686 HB2 0.05 -0.00 -0.24 -0.04 2.88 2.64 1n7pA1 ASN 686 HB3 0.03 0.04 0.07 -0.04 2.79 2.89 1n7pA1 ASN 686 HD21 0.04 0.33 -0.13 -0.04 7.03 7.23 1n7pA1 ASN 686 HD22 0.05 -0.03 -0.06 -0.04 7.74 7.66 1n7pA1 THR 687 H -0.02 0.56 0.33 -0.55 8.28 8.60 1n7pA1 THR 687 HA -0.01 0.19 0.93 -0.75 4.39 4.74 1n7pA1 THR 687 HB -0.02 -0.01 0.19 -0.04 4.32 4.44 1n7pA1 THR 687 HG23 -0.02 -0.00 -0.06 -0.04 1.22 1.10 1n7pA1 SER 688 H -0.01 0.02 0.02 -0.55 8.46 7.95 1n7pA1 SER 688 HA -0.01 0.21 0.83 -0.75 4.49 4.75 1n7pA1 SER 688 HB2 -0.00 -0.04 0.17 -0.04 3.95 4.04 1n7pA1 SER 688 HB3 -0.02 0.01 0.10 -0.04 3.93 3.97 1n7pA1 THR 689 H 0.01 0.11 0.12 -0.55 8.28 7.96 1n7pA1 THR 689 HA 0.01 0.27 0.80 -0.75 4.39 4.72 1n7pA1 THR 689 HB 0.01 0.01 0.17 -0.04 4.32 4.46 1n7pA1 THR 689 HG23 0.00 0.01 -0.01 -0.04 1.22 1.18 1n7pA1 ASP 690 H 0.02 -0.06 -0.19 -0.55 8.40 7.63 1n7pA1 ASP 690 HA 0.02 0.14 0.61 -0.75 4.63 4.64 1n7pA1 ASP 690 HB2 0.06 -0.01 -0.02 -0.04 2.71 2.70 1n7pA1 ASP 690 HB3 0.06 -0.09 0.04 -0.04 2.70 2.67 1n7pA1 THR 691 H 0.02 0.08 0.11 -0.55 8.28 7.94 1n7pA1 THR 691 HA 0.03 0.25 0.74 -0.75 4.39 4.66 1n7pA1 THR 691 HB 0.02 0.06 -0.01 -0.04 4.32 4.35 1n7pA1 THR 691 HG23 0.01 0.02 -0.04 -0.04 1.22 1.16 1n7pA1 ALA 692 H 0.06 0.24 0.13 -0.55 8.40 8.29 1n7pA1 ALA 692 HA 0.10 0.28 0.97 -0.75 4.34 4.93 1n7pA1 ALA 692 HB3 0.14 0.04 -0.06 -0.04 1.41 1.50 1n7pA1 ALA 693 H 0.14 0.68 0.32 -0.55 8.40 8.99 1n7pA1 ALA 693 HA -0.10 0.12 0.65 -0.75 4.34 4.26 1n7pA1 ALA 693 HB3 -0.04 -0.01 -0.24 -0.04 1.41 1.08 1n7pA1 THR 694 H -0.09 0.56 0.25 -0.55 8.28 8.46 1n7pA1 THR 694 HA 0.10 0.39 0.99 -0.75 4.39 5.11 1n7pA1 THR 694 HB 0.09 -0.08 0.05 -0.04 4.32 4.34 1n7pA1 THR 694 HG23 -0.23 0.02 -0.49 -0.04 1.22 0.49 1n7pA1 THR 695 H 0.04 0.69 0.10 -0.55 8.28 8.56 1n7pA1 THR 695 HA -0.03 0.06 0.84 -0.75 4.39 4.50 1n7pA1 THR 695 HB 0.05 0.10 -0.06 -0.04 4.32 4.36 1n7pA1 THR 695 HG23 -0.00 0.03 -0.31 -0.04 1.22 0.90 1n7pA1 ILE 696 H -0.11 0.39 0.25 -0.55 8.25 8.23 1n7pA1 ILE 696 HA -0.13 0.07 0.48 -0.75 4.18 3.84 1n7pA1 ILE 696 HB -0.30 -0.01 -0.07 -0.04 1.89 1.47 1n7pA1 ILE 696 HG12 -0.81 -0.01 -0.12 -0.04 1.49 0.51 1n7pA1 ILE 696 HG13 -0.21 0.04 -0.18 -0.04 1.21 0.81 1n7pA1 ILE 696 HG23 -0.72 -0.01 -0.21 -0.04 0.93 -0.05 1n7pA1 ILE 696 HD13 -0.09 -0.01 -0.22 -0.04 0.88 0.51 1n7pA1 ASP 697 H -0.10 0.43 0.22 -0.55 8.40 8.41 1n7pA1 ASP 697 HA 0.11 0.10 0.28 -0.75 4.63 4.37 1n7pA1 ASP 697 HB2 0.00 0.01 -0.30 -0.04 2.71 2.39 1n7pA1 ASP 697 HB3 -0.03 -0.03 -0.08 -0.04 2.70 2.52 1n7pA1 GLN 698 H 0.02 0.23 0.01 -0.55 8.47 8.19 1n7pA1 GLN 698 HA 0.05 0.19 0.49 -0.75 4.36 4.35 1n7pA1 GLN 698 HB2 -0.03 0.12 0.06 -0.04 2.15 2.26 1n7pA1 GLN 698 HB3 -0.01 0.01 0.17 -0.04 2.02 2.15 1n7pA1 GLN 698 HG2 0.04 -0.03 -0.21 -0.04 2.40 2.16 1n7pA1 GLN 698 HG3 -0.05 -0.03 -0.07 -0.04 2.39 2.19 1n7pA1 GLN 698 HE21 -0.19 0.17 -0.04 -0.04 6.97 6.87 1n7pA1 GLN 698 HE22 -0.10 0.46 -0.01 -0.04 7.69 8.00 1n7pA1 ARG 699 H 0.11 0.66 0.21 -0.55 8.46 8.89 1n7pA1 ARG 699 HA 0.24 0.14 0.77 -0.75 4.34 4.75 1n7pA1 ARG 699 HB2 0.02 -0.04 0.01 -0.04 1.90 1.86 1n7pA1 ARG 699 HB3 0.03 -0.05 0.09 -0.04 1.80 1.83 1n7pA1 ARG 699 HG2 -0.02 -0.02 -0.04 -0.04 1.67 1.55 1n7pA1 ARG 699 HG3 0.02 0.14 -0.05 -0.04 1.67 1.74 1n7pA1 ARG 699 HD2 -0.32 0.02 0.06 -0.04 3.22 2.94 1n7pA1 ARG 699 HD3 -0.11 -0.02 -0.02 -0.04 3.22 3.02 1n7pA1 LYS 700 H 0.46 0.16 0.21 -0.55 8.42 8.69 1n7pA1 LYS 700 HA -0.90 0.19 0.76 -0.75 4.32 3.61 1n7pA1 LYS 700 HB2 -0.54 -0.02 0.14 -0.04 1.87 1.41 1n7pA1 LYS 700 HB3 -0.57 -0.01 0.16 -0.04 1.79 1.33 1n7pA1 LYS 700 HG2 -1.03 0.07 0.05 -0.04 1.46 0.51 1n7pA1 LYS 700 HG3 -0.68 -0.03 -0.04 -0.04 1.46 0.67 1n7pA1 LYS 700 HD2 -0.31 -0.10 -0.18 -0.04 1.69 1.06 1n7pA1 LYS 700 HD3 -0.31 0.02 -0.00 -0.04 1.68 1.34 1n7pA1 LYS 700 HE2 -0.13 0.02 -0.05 -0.04 2.99 2.79 1n7pA1 LYS 700 HE3 -0.17 -0.06 -0.06 -0.04 2.99 2.65 1n7pA1 LEU 701 H -0.32 0.68 0.33 -0.55 8.37 8.52 1n7pA1 LEU 701 HA -0.04 0.12 0.58 -0.75 4.35 4.25 1n7pA1 LEU 701 HB2 -0.09 -0.05 -0.11 -0.04 1.64 1.35 1n7pA1 LEU 701 HB3 -0.04 -0.02 -0.05 -0.04 1.64 1.49 1n7pA1 LEU 701 HG -0.06 0.12 -0.16 -0.04 1.64 1.50 1n7pA1 LEU 701 HD13 0.02 -0.02 -0.21 -0.04 0.93 0.69 1n7pA1 LEU 701 HD23 0.17 -0.00 -0.21 -0.04 0.89 0.81 1n7pA1 GLU 702 H -0.12 0.26 0.10 -0.55 8.60 8.29 1n7pA1 GLU 702 HA -0.08 0.18 0.83 -0.75 4.29 4.46 1n7pA1 GLU 702 HB2 -0.13 0.09 0.16 -0.04 2.09 2.17 1n7pA1 GLU 702 HB3 -0.07 -0.10 0.03 -0.04 1.99 1.81 1n7pA1 GLU 702 HG2 -0.07 0.05 -0.06 -0.04 2.34 2.21 1n7pA1 GLU 702 HG3 -0.09 0.06 -0.12 -0.04 2.34 2.14 1n7pA1 SER 703 H -0.05 0.22 0.09 -0.55 8.46 8.17 1n7pA1 SER 703 HA -0.05 0.10 0.33 -0.75 4.49 4.12 1n7pA1 SER 703 HB2 -0.02 0.05 0.04 -0.04 3.95 3.97 1n7pA1 SER 703 HB3 -0.03 0.01 0.07 -0.04 3.93 3.93 1n7pA1 SER 704 H -0.04 0.00 -0.27 -0.55 8.46 7.61 1n7pA1 SER 704 HA -0.03 0.13 0.53 -0.75 4.49 4.37 1n7pA1 SER 704 HB2 -0.02 0.04 0.06 -0.04 3.95 3.99 1n7pA1 SER 704 HB3 -0.02 -0.03 0.06 -0.04 3.93 3.90 1n7pA1 ASN 705 H -0.09 0.15 -0.44 -0.55 8.53 7.61 1n7pA1 ASN 705 HA -0.08 0.22 0.92 -0.75 4.76 5.07 1n7pA1 ASN 705 HB2 -0.12 -0.09 0.06 -0.04 2.88 2.70 1n7pA1 ASN 705 HB3 -0.19 -0.03 0.15 -0.04 2.79 2.68 1n7pA1 ASN 705 HD21 -0.03 0.01 -0.09 -0.04 7.03 6.87 1n7pA1 ASN 705 HD22 -0.05 -0.11 -0.68 -0.04 7.74 6.86 1n7pA1 PRO 706 HA -0.12 0.02 0.48 -0.51 4.44 4.30 1n7pA1 PRO 706 HB2 -0.02 0.09 -0.07 -0.04 2.28 2.24 1n7pA1 PRO 706 HB3 -0.04 0.02 0.06 -0.04 2.02 2.02 1n7pA1 PRO 706 HG2 -0.03 -0.02 0.00 -0.04 2.03 1.94 1n7pA1 PRO 706 HG3 -0.03 0.05 0.01 -0.04 2.03 2.02 1n7pA1 PRO 706 HD2 -0.06 0.10 0.08 -0.04 3.68 3.77 1n7pA1 PRO 706 HD3 -0.05 0.26 -0.32 -0.04 3.65 3.49 1n7pA1 TYR 707 H 0.03 0.09 0.15 -0.55 8.29 8.02 1n7pA1 TYR 707 HA -0.03 0.31 0.79 -0.75 4.56 4.87 1n7pA1 TYR 707 HB2 -0.05 -0.04 0.05 -0.04 3.06 2.97 1n7pA1 TYR 707 HB3 -0.05 -0.01 -0.18 -0.04 2.98 2.69 1n7pA1 TYR 707 HD2 -0.08 -0.04 -0.39 -0.04 7.15 6.60 1n7pA1 TYR 707 HE2 -0.11 0.03 -0.18 -0.04 6.85 6.55 1n7pA1 LYS 708 H 0.16 0.67 0.30 -0.55 8.42 9.00 1n7pA1 LYS 708 HA -0.03 0.13 0.80 -0.75 4.32 4.47 1n7pA1 LYS 708 HB2 0.05 0.04 0.07 -0.04 1.87 1.99 1n7pA1 LYS 708 HB3 0.17 -0.05 0.16 -0.04 1.79 2.04 1n7pA1 LYS 708 HG2 -0.49 -0.04 -0.15 -0.04 1.46 0.74 1n7pA1 LYS 708 HG3 -0.19 0.04 0.06 -0.04 1.46 1.34 1n7pA1 LYS 708 HD2 0.10 -0.01 -0.02 -0.04 1.69 1.71 1n7pA1 LYS 708 HD3 -0.01 -0.02 -0.03 -0.04 1.68 1.58 1n7pA1 LYS 708 HE2 -0.04 0.03 0.01 -0.04 2.99 2.94 1n7pA1 LYS 708 HE3 0.01 0.02 -0.02 -0.04 2.99 2.96 1n7pA1 VAL 709 H -0.13 0.27 0.18 -0.55 8.24 8.01 1n7pA1 VAL 709 HA -0.01 0.27 0.91 -0.75 4.13 4.54 1n7pA1 VAL 709 HB -0.09 0.09 0.11 -0.04 2.12 2.19 1n7pA1 VAL 709 HG13 -0.11 -0.01 -0.20 -0.04 0.97 0.62 1n7pA1 VAL 709 HG23 -0.05 0.01 -0.14 -0.04 0.95 0.73 1n7pA1 TYR 710 H 0.23 0.65 0.38 -0.55 8.29 9.00 1n7pA1 TYR 710 HA 0.02 0.27 0.82 -0.75 4.56 4.92 1n7pA1 TYR 710 HB2 0.16 -0.07 0.03 -0.04 3.06 3.14 1n7pA1 TYR 710 HB3 0.08 -0.10 -0.27 -0.04 2.98 2.65 1n7pA1 TYR 710 HD2 0.13 0.11 -0.36 -0.04 7.15 6.99 1n7pA1 TYR 710 HE2 0.10 0.02 -0.11 -0.04 6.85 6.82 1n7pA1 VAL 711 H 0.08 0.77 0.20 -0.55 8.24 8.74 1n7pA1 VAL 711 HA 0.05 0.28 1.02 -0.75 4.13 4.72 1n7pA1 VAL 711 HB -0.04 0.07 0.12 -0.04 2.12 2.22 1n7pA1 VAL 711 HG13 -0.03 0.02 -0.04 -0.04 0.97 0.87 1n7pA1 VAL 711 HG23 -0.51 -0.01 -0.14 -0.04 0.95 0.24 1n7pA1 ASN 712 H 0.13 0.57 0.28 -0.55 8.53 8.96 1n7pA1 ASN 712 HA 0.12 -0.01 0.35 -0.75 4.76 4.47 1n7pA1 ASN 712 HB2 0.08 0.16 0.14 -0.04 2.88 3.22 1n7pA1 ASN 712 HB3 0.07 0.03 0.26 -0.04 2.79 3.11 1n7pA1 ASN 712 HD21 0.05 0.33 0.19 -0.04 7.03 7.55 1n7pA1 ASN 712 HD22 0.06 0.02 0.06 -0.04 7.74 7.84 1n7pA1 ASP 713 H 0.17 0.02 -0.51 -0.55 8.40 7.54 1n7pA1 ASP 713 HA 0.11 -0.06 0.08 -0.75 4.63 4.00 1n7pA1 ASP 713 HB2 0.04 -0.06 -0.29 -0.04 2.71 2.35 1n7pA1 ASP 713 HB3 0.04 0.20 0.07 -0.04 2.70 2.97 1n7pA1 LYS 714 H 0.16 0.45 -0.42 -0.55 8.42 8.05 1n7pA1 LYS 714 HA 0.16 0.09 0.84 -0.75 4.32 4.65 1n7pA1 LYS 714 HB2 0.08 0.11 0.08 -0.04 1.87 2.11 1n7pA1 LYS 714 HB3 0.07 0.01 0.03 -0.04 1.79 1.86 1n7pA1 LYS 714 HG2 0.07 -0.01 -0.06 -0.04 1.46 1.42 1n7pA1 LYS 714 HG3 0.08 0.11 -0.28 -0.04 1.46 1.33 1n7pA1 LYS 714 HD2 0.05 -0.02 0.00 -0.04 1.69 1.69 1n7pA1 LYS 714 HD3 0.05 -0.04 -0.00 -0.04 1.68 1.64 1n7pA1 LYS 714 HE2 0.06 0.11 0.04 -0.04 2.99 3.16 1n7pA1 LYS 714 HE3 0.06 0.01 0.03 -0.04 2.99 3.05 1n7pA1 GLU 715 H 0.05 0.10 0.12 -0.55 8.60 8.33 1n7pA1 GLU 715 HA -0.39 0.13 0.43 -0.75 4.29 3.71 1n7pA1 GLU 715 HB2 -0.20 -0.05 0.11 -0.04 2.09 1.90 1n7pA1 GLU 715 HB3 -0.08 -0.03 0.09 -0.04 1.99 1.94 1n7pA1 GLU 715 HG2 -0.14 0.06 -0.14 -0.04 2.34 2.07 1n7pA1 GLU 715 HG3 -0.39 0.07 0.11 -0.04 2.34 2.09 1n7pA1 ALA 716 H -0.16 0.80 0.44 -0.55 8.40 8.94 1n7pA1 ALA 716 HA 0.02 0.15 0.85 -0.75 4.34 4.60 1n7pA1 ALA 716 HB3 -0.04 -0.01 -0.06 -0.04 1.41 1.27 1n7pA1 SER 717 H 0.04 0.22 0.09 -0.55 8.46 8.26 1n7pA1 SER 717 HA -0.01 0.13 0.90 -0.75 4.49 4.76 1n7pA1 SER 717 HB2 0.01 -0.01 0.16 -0.04 3.95 4.07 1n7pA1 SER 717 HB3 -0.00 0.05 0.05 -0.04 3.93 3.99 1n7pA1 LEU 718 H -0.00 0.14 0.06 -0.55 8.37 8.02 1n7pA1 LEU 718 HA 0.05 0.15 0.70 -0.75 4.35 4.49 1n7pA1 LEU 718 HB2 0.00 -0.01 -0.02 -0.04 1.64 1.57 1n7pA1 LEU 718 HB3 0.01 0.01 -0.10 -0.04 1.64 1.52 1n7pA1 LEU 718 HG -0.03 -0.02 -0.14 -0.04 1.64 1.41 1n7pA1 LEU 718 HD13 -0.04 0.00 -0.18 -0.04 0.93 0.67 1n7pA1 LEU 718 HD23 0.02 0.02 -0.24 -0.04 0.89 0.65 1n7pA1 THR 719 H 0.02 0.30 0.24 -0.55 8.28 8.29 1n7pA1 THR 719 HA 0.01 0.16 0.83 -0.75 4.39 4.63 1n7pA1 THR 719 HB -0.00 -0.16 0.18 -0.04 4.32 4.30 1n7pA1 THR 719 HG23 0.00 0.03 -0.18 -0.04 1.22 1.03 1n7pA1 GLU 720 H 0.00 0.09 0.22 -0.55 8.60 8.36 1n7pA1 GLU 720 HA 0.00 0.17 0.43 -0.75 4.29 4.14 1n7pA1 GLU 720 HB2 -0.00 -0.05 0.22 -0.04 2.09 2.21 1n7pA1 GLU 720 HB3 -0.00 0.02 -0.06 -0.04 1.99 1.91 1n7pA1 GLU 720 HG2 0.01 0.01 0.22 -0.04 2.34 2.53 1n7pA1 GLU 720 HG3 0.00 -0.01 0.15 -0.04 2.34 2.44 1n7pA1 GLN 721 H -0.01 0.00 -0.06 -0.55 8.47 7.87 1n7pA1 GLN 721 HA -0.01 0.06 0.66 -0.75 4.36 4.31 1n7pA1 GLN 721 HB2 -0.01 -0.05 0.09 -0.04 2.15 2.14 1n7pA1 GLN 721 HB3 -0.01 0.01 -0.01 -0.04 2.02 1.96 1n7pA1 GLN 721 HG2 -0.02 0.19 -0.05 -0.04 2.40 2.47 1n7pA1 GLN 721 HG3 -0.02 -0.04 0.08 -0.04 2.39 2.37 1n7pA1 GLN 721 HE21 -0.02 -0.01 0.01 -0.04 6.97 6.91 1n7pA1 GLN 721 HE22 -0.02 -0.01 0.01 -0.04 7.69 7.64 1n7pA1 GLU 722 H -0.02 0.05 0.13 -0.55 8.60 8.22 1n7pA1 GLU 722 HA -0.00 0.20 0.37 -0.75 4.29 4.10 1n7pA1 GLU 722 HB2 -0.02 -0.05 0.11 -0.04 2.09 2.09 1n7pA1 GLU 722 HB3 -0.03 -0.02 -0.12 -0.04 1.99 1.77 1n7pA1 GLU 722 HG2 -0.01 -0.01 -0.17 -0.04 2.34 2.11 1n7pA1 GLU 722 HG3 -0.02 0.03 -0.13 -0.04 2.34 2.18 1n7pA1 LYS 723 H 0.03 0.60 0.41 -0.55 8.42 8.90 1n7pA1 LYS 723 HA -0.10 0.11 0.91 -0.75 4.32 4.49 1n7pA1 LYS 723 HB2 0.07 0.00 0.18 -0.04 1.87 2.09 1n7pA1 LYS 723 HB3 -0.30 0.05 0.03 -0.04 1.79 1.53 1n7pA1 LYS 723 HG2 -0.08 -0.02 0.05 -0.04 1.46 1.37 1n7pA1 LYS 723 HG3 -0.02 0.09 -0.21 -0.04 1.46 1.28 1n7pA1 LYS 723 HD2 0.01 -0.05 0.05 -0.04 1.69 1.66 1n7pA1 LYS 723 HD3 0.08 -0.03 0.08 -0.04 1.68 1.76 1n7pA1 LYS 723 HE2 -0.02 -0.05 0.03 -0.04 2.99 2.91 1n7pA1 LYS 723 HE3 0.03 0.11 0.09 -0.04 2.99 3.18 1n7pA1 ASP 724 H -0.20 0.14 0.17 -0.55 8.40 7.96 1n7pA1 ASP 724 HA -0.08 0.21 0.90 -0.75 4.63 4.90 1n7pA1 ASP 724 HB2 -0.14 -0.02 0.13 -0.04 2.71 2.64 1n7pA1 ASP 724 HB3 -0.10 0.01 0.02 -0.04 2.70 2.60 1n7pA1 TYR 725 H 0.02 0.75 0.25 -0.55 8.29 8.76 1n7pA1 TYR 725 HA -0.05 0.19 0.84 -0.75 4.56 4.79 1n7pA1 TYR 725 HB2 -0.10 -0.07 0.12 -0.04 3.06 2.97 1n7pA1 TYR 725 HB3 -0.06 0.01 0.05 -0.04 2.98 2.94 1n7pA1 TYR 725 HD2 -0.05 0.02 -0.11 -0.04 7.15 6.97 1n7pA1 TYR 725 HE2 -0.03 0.00 -0.06 -0.04 6.85 6.72 1n7pA1 PRO 726 HA -0.04 -0.01 0.67 -0.51 4.44 4.55 1n7pA1 PRO 726 HB2 -0.03 0.04 0.01 -0.04 2.28 2.26 1n7pA1 PRO 726 HB3 -0.04 0.00 0.09 -0.04 2.02 2.03 1n7pA1 PRO 726 HG2 -0.03 0.06 0.02 -0.04 2.03 2.04 1n7pA1 PRO 726 HG3 -0.05 0.04 0.02 -0.04 2.03 2.00 1n7pA1 PRO 726 HD2 -0.08 0.17 0.14 -0.04 3.68 3.87 1n7pA1 PRO 726 HD3 -0.10 0.09 -0.20 -0.04 3.65 3.40 1n7pA1 GLU 727 H -0.04 0.07 -0.03 -0.55 8.60 8.06 1n7pA1 GLU 727 HA -0.02 -0.01 0.19 -0.75 4.29 3.69 1n7pA1 GLU 727 HB2 0.01 0.18 -0.04 -0.04 2.09 2.20 1n7pA1 GLU 727 HB3 0.01 -0.02 0.13 -0.04 1.99 2.08 1n7pA1 GLU 727 HG2 -0.01 -0.12 -0.17 -0.04 2.34 1.99 1n7pA1 GLU 727 HG3 -0.00 0.03 -0.12 -0.04 2.34 2.20 1n7pA1 THR 728 H -0.11 0.56 0.05 -0.55 8.28 8.23 1n7pA1 THR 728 HA -0.01 0.06 0.71 -0.75 4.39 4.40 1n7pA1 THR 728 HB -0.40 0.13 0.22 -0.04 4.32 4.22 1n7pA1 THR 728 HG23 -0.11 -0.03 -0.16 -0.04 1.22 0.88 1n7pA1 GLN 729 H 0.08 0.11 0.29 -0.55 8.47 8.41 1n7pA1 GLN 729 HA 0.13 0.26 0.87 -0.75 4.36 4.87 1n7pA1 GLN 729 HB2 0.10 0.03 0.08 -0.04 2.15 2.32 1n7pA1 GLN 729 HB3 0.16 -0.06 0.06 -0.04 2.02 2.13 1n7pA1 GLN 729 HG2 0.23 -0.04 -0.02 -0.04 2.40 2.53 1n7pA1 GLN 729 HG3 0.28 0.05 0.09 -0.04 2.39 2.77 1n7pA1 GLN 729 HE21 0.07 -0.07 -0.07 -0.04 6.97 6.87 1n7pA1 GLN 729 HE22 -0.00 0.52 -0.01 -0.04 7.69 8.15 1n7pA1 SER 730 H 0.20 0.03 0.26 -0.55 8.46 8.41 1n7pA1 SER 730 HA 0.48 0.31 0.65 -0.75 4.49 5.18 1n7pA1 SER 730 HB2 0.59 0.09 0.09 -0.04 3.95 4.68 1n7pA1 SER 730 HB3 0.34 0.11 -0.07 -0.04 3.93 4.28 1n7pA1 VAL 731 H 0.38 0.66 0.39 -0.55 8.24 9.13 1n7pA1 VAL 731 HA 0.14 0.31 0.94 -0.75 4.13 4.78 1n7pA1 VAL 731 HB 0.18 -0.04 0.10 -0.04 2.12 2.31 1n7pA1 VAL 731 HG13 -0.04 0.01 -0.13 -0.04 0.97 0.77 1n7pA1 VAL 731 HG23 0.02 -0.01 -0.12 -0.04 0.95 0.81 1n7pA1 PHE 732 H 0.20 0.61 0.33 -0.55 8.34 8.93 1n7pA1 PHE 732 HA -0.32 0.23 1.02 -0.75 4.62 4.79 1n7pA1 PHE 732 HB2 -0.28 -0.01 -0.15 -0.04 3.15 2.67 1n7pA1 PHE 732 HB3 -0.06 -0.07 0.04 -0.04 3.06 2.93 1n7pA1 PHE 732 HD2 -0.85 -0.01 -0.12 -0.04 7.28 6.26 1n7pA1 PHE 732 HE2 -0.23 -0.01 -0.14 -0.04 7.38 6.96 1n7pA1 PHE 732 HZ -0.10 0.17 -0.10 -0.04 7.32 7.24 1n7pA1 LEU 733 H -0.85 0.75 0.29 -0.55 8.37 8.02 1n7pA1 LEU 733 HA -0.25 0.16 0.88 -0.75 4.35 4.38 1n7pA1 LEU 733 HB2 -0.74 -0.07 0.30 -0.04 1.64 1.09 1n7pA1 LEU 733 HB3 -1.27 -0.00 0.04 -0.04 1.64 0.37 1n7pA1 LEU 733 HG -0.15 0.08 -0.07 -0.04 1.64 1.46 1n7pA1 LEU 733 HD13 -0.34 -0.00 -0.06 -0.04 0.93 0.49 1n7pA1 LEU 733 HD23 -0.19 0.01 -0.21 -0.04 0.89 0.45 1n7pA1 GLU 734 H 0.09 0.75 0.28 -0.55 8.60 9.17 1n7pA1 GLU 734 HA -0.01 0.06 0.83 -0.75 4.29 4.42 1n7pA1 GLU 734 HB2 0.52 -0.05 -0.03 -0.04 2.09 2.49 1n7pA1 GLU 734 HB3 0.38 0.03 0.22 -0.04 1.99 2.58 1n7pA1 GLU 734 HG2 0.20 0.09 -0.29 -0.04 2.34 2.30 1n7pA1 GLU 734 HG3 0.28 -0.05 0.00 -0.04 2.34 2.53 1n7pA1 SER 735 H 0.11 0.14 0.09 -0.55 8.46 8.25 1n7pA1 SER 735 HA -0.04 0.33 0.76 -0.75 4.49 4.79 1n7pA1 SER 735 HB2 -0.12 0.09 -0.12 -0.04 3.95 3.75 1n7pA1 SER 735 HB3 0.02 0.12 -0.06 -0.04 3.93 3.97 1n7pA1 SER 736 H -0.04 0.24 0.11 -0.55 8.46 8.22 1n7pA1 SER 736 HA 0.03 0.11 0.62 -0.75 4.49 4.49 1n7pA1 SER 736 HB2 0.01 0.01 0.09 -0.04 3.95 4.02 1n7pA1 SER 736 HB3 -0.00 0.06 0.12 -0.04 3.93 4.06 1n7pA1 ASP 737 H -0.02 0.08 -0.17 -0.55 8.40 7.74 1n7pA1 ASP 737 HA 0.02 0.19 0.78 -0.75 4.63 4.86 1n7pA1 ASP 737 HB2 -0.00 0.08 0.02 -0.04 2.71 2.76 1n7pA1 ASP 737 HB3 -0.01 -0.03 0.09 -0.04 2.70 2.70 1n7pA1 SER 738 H 0.04 0.27 0.08 -0.55 8.46 8.30 1n7pA1 SER 738 HA 0.06 0.06 0.22 -0.75 4.49 4.08 1n7pA1 SER 738 HB2 0.05 0.06 0.05 -0.04 3.95 4.06 1n7pA1 SER 738 HB3 0.06 0.06 -0.18 -0.04 3.93 3.83 1n7pA1 LYS 739 H 0.04 0.06 -0.35 -0.55 8.42 7.62 1n7pA1 LYS 739 HA 0.06 0.22 0.52 -0.75 4.32 4.37 1n7pA1 LYS 739 HB2 0.05 -0.07 0.05 -0.04 1.87 1.86 1n7pA1 LYS 739 HB3 0.08 0.03 0.22 -0.04 1.79 2.08 1n7pA1 LYS 739 HG2 0.05 -0.11 0.05 -0.04 1.46 1.41 1n7pA1 LYS 739 HG3 0.07 0.06 0.07 -0.04 1.46 1.62 1n7pA1 LYS 739 HD2 0.09 0.27 0.16 -0.04 1.69 2.17 1n7pA1 LYS 739 HD3 0.07 -0.08 -0.01 -0.04 1.68 1.62 1n7pA1 LYS 739 HE2 0.06 0.05 0.07 -0.04 2.99 3.13 1n7pA1 LYS 739 HE3 0.05 -0.14 0.02 -0.04 2.99 2.88 1n7pA1 LYS 740 H 0.03 0.45 -0.42 -0.55 8.42 7.93 1n7pA1 LYS 740 HA 0.04 0.07 0.86 -0.75 4.32 4.54 1n7pA1 LYS 740 HB2 -0.02 0.08 0.05 -0.04 1.87 1.94 1n7pA1 LYS 740 HB3 -0.00 0.01 0.11 -0.04 1.79 1.87 1n7pA1 LYS 740 HG2 0.00 -0.15 -0.08 -0.04 1.46 1.19 1n7pA1 LYS 740 HG3 0.01 -0.05 -0.28 -0.04 1.46 1.10 1n7pA1 LYS 740 HD2 -0.09 -0.03 -0.03 -0.04 1.69 1.50 1n7pA1 LYS 740 HD3 -0.10 0.02 -0.04 -0.04 1.68 1.52 1n7pA1 LYS 740 HE2 -0.01 0.01 -0.50 -0.04 2.99 2.44 1n7pA1 LYS 740 HE3 -0.01 0.01 -0.15 -0.04 2.99 2.80 1n7pA1 ASN 741 H 0.02 0.31 -0.05 -0.55 8.53 8.26 1n7pA1 ASN 741 HA -0.08 0.14 0.49 -0.75 4.76 4.55 1n7pA1 ASN 741 HB2 0.01 0.07 0.26 -0.04 2.88 3.17 1n7pA1 ASN 741 HB3 -0.21 0.04 0.12 -0.04 2.79 2.70 1n7pA1 ASN 741 HD21 0.17 -0.07 0.01 -0.04 7.03 7.10 1n7pA1 ASN 741 HD22 0.24 0.38 0.02 -0.04 7.74 8.34 1n7pA1 ILE 742 H -0.58 0.44 0.37 -0.55 8.25 7.93 1n7pA1 ILE 742 HA -0.37 0.15 0.87 -0.75 4.18 4.08 1n7pA1 ILE 742 HB -0.41 -0.08 0.14 -0.04 1.89 1.50 1n7pA1 ILE 742 HG12 -0.18 0.02 -0.11 -0.04 1.49 1.19 1n7pA1 ILE 742 HG13 -0.18 0.13 -0.49 -0.04 1.21 0.63 1n7pA1 ILE 742 HG23 -0.62 -0.00 -0.16 -0.04 0.93 0.11 1n7pA1 ILE 742 HD13 -0.13 -0.02 -0.05 -0.04 0.88 0.64 1n7pA1 GLY 743 H -0.43 0.57 0.21 -0.55 8.43 8.24 1n7pA1 GLY 743 HA2 -0.55 0.21 1.16 -0.51 4.01 4.32 1n7pA1 GLY 743 HA3 -0.82 0.01 0.39 -0.51 4.01 3.08 1n7pA1 TYR 744 H 0.10 0.69 0.36 -0.55 8.29 8.89 1n7pA1 TYR 744 HA -0.06 0.32 0.98 -0.75 4.56 5.03 1n7pA1 TYR 744 HB2 -0.14 -0.11 0.10 -0.04 3.06 2.87 1n7pA1 TYR 744 HB3 -0.54 0.03 -0.07 -0.04 2.98 2.36 1n7pA1 TYR 744 HD2 -0.23 0.05 -0.14 -0.04 7.15 6.78 1n7pA1 TYR 744 HE2 -0.17 0.05 -0.19 -0.04 6.85 6.50 1n7pA1 PHE 745 H 0.07 0.63 0.30 -0.55 8.34 8.79 1n7pA1 PHE 745 HA 0.03 0.21 1.02 -0.75 4.62 5.13 1n7pA1 PHE 745 HB2 -0.13 -0.03 0.02 -0.04 3.15 2.97 1n7pA1 PHE 745 HB3 -0.18 -0.05 0.20 -0.04 3.06 2.99 1n7pA1 PHE 745 HD2 -0.14 -0.02 0.01 -0.04 7.28 7.08 1n7pA1 PHE 745 HE2 0.06 0.04 -0.11 -0.04 7.38 7.34 1n7pA1 PHE 745 HZ 0.05 0.05 -0.08 -0.04 7.32 7.29 1n7pA1 PHE 746 H 0.08 0.61 0.14 -0.55 8.34 8.62 1n7pA1 PHE 746 HA -0.30 0.14 0.95 -0.75 4.62 4.65 1n7pA1 PHE 746 HB2 -0.09 0.03 0.14 -0.04 3.15 3.18 1n7pA1 PHE 746 HB3 -0.06 0.18 0.11 -0.04 3.06 3.25 1n7pA1 PHE 746 HD2 0.04 0.02 -0.31 -0.04 7.28 6.99 1n7pA1 PHE 746 HE2 -0.18 -0.04 -0.20 -0.04 7.38 6.92 1n7pA1 PHE 746 HZ -0.34 -0.03 -0.17 -0.04 7.32 6.74 1n7pA1 PHE 747 H -0.49 0.28 0.17 -0.55 8.34 7.74 1n7pA1 PHE 747 HA -0.60 0.06 0.25 -0.75 4.62 3.57 1n7pA1 PHE 747 HB2 -0.07 -0.04 0.06 -0.04 3.15 3.06 1n7pA1 PHE 747 HB3 -0.08 0.01 0.02 -0.04 3.06 2.97 1n7pA1 PHE 747 HD2 -0.02 0.04 -0.11 -0.04 7.28 7.16 1n7pA1 PHE 747 HE2 0.04 0.01 -0.13 -0.04 7.38 7.26 1n7pA1 PHE 747 HZ 0.01 -0.05 -0.17 -0.04 7.32 7.07 1n7pA1 LYS 748 H 0.12 0.10 -0.06 -0.55 8.42 8.03 1n7pA1 LYS 748 HA 0.06 0.14 0.78 -0.75 4.32 4.54 1n7pA1 LYS 748 HB2 0.09 -0.02 0.03 -0.04 1.87 1.93 1n7pA1 LYS 748 HB3 0.05 0.01 0.08 -0.04 1.79 1.89 1n7pA1 LYS 748 HG2 0.08 0.13 -0.25 -0.04 1.46 1.37 1n7pA1 LYS 748 HG3 0.09 -0.06 -0.08 -0.04 1.46 1.37 1n7pA1 LYS 748 HD2 0.04 -0.01 0.00 -0.04 1.69 1.69 1n7pA1 LYS 748 HD3 0.04 0.01 0.02 -0.04 1.68 1.71 1n7pA1 LYS 748 HE2 0.02 -0.02 -0.02 -0.04 2.99 2.93 1n7pA1 LYS 748 HE3 0.02 0.04 -0.04 -0.04 2.99 2.97 1n7pA1 LYS 749 H 0.04 0.07 0.06 -0.55 8.42 8.04 1n7pA1 LYS 749 HA 0.01 0.27 0.32 -0.75 4.32 4.16 1n7pA1 LYS 749 HB2 0.02 -0.04 0.09 -0.04 1.87 1.90 1n7pA1 LYS 749 HB3 -0.00 -0.13 -0.13 -0.04 1.79 1.49 1n7pA1 LYS 749 HG2 0.03 0.03 -0.34 -0.04 1.46 1.14 1n7pA1 LYS 749 HG3 0.05 0.03 -0.03 -0.04 1.46 1.47 1n7pA1 LYS 749 HD2 0.03 -0.03 0.01 -0.04 1.69 1.66 1n7pA1 LYS 749 HD3 0.02 0.03 -0.01 -0.04 1.68 1.68 1n7pA1 LYS 749 HE2 0.04 -0.02 0.02 -0.04 2.99 2.99 1n7pA1 LYS 749 HE3 0.05 -0.00 0.00 -0.04 2.99 3.00 1n7pA1 SER 750 H -0.17 0.59 0.37 -0.55 8.46 8.71 1n7pA1 SER 750 HA -0.05 0.15 0.99 -0.75 4.49 4.82 1n7pA1 SER 750 HB2 -0.58 -0.03 0.03 -0.04 3.95 3.33 1n7pA1 SER 750 HB3 -0.11 -0.01 0.04 -0.04 3.93 3.80 1n7pA1 SER 751 H -0.07 0.21 0.22 -0.55 8.46 8.27 1n7pA1 SER 751 HA -0.09 0.18 0.98 -0.75 4.49 4.80 1n7pA1 SER 751 HB2 -0.05 0.02 0.25 -0.04 3.95 4.14 1n7pA1 SER 751 HB3 -0.06 0.04 0.04 -0.04 3.93 3.91 1n7pA1 ILE 752 H -0.09 0.48 0.31 -0.55 8.25 8.40 1n7pA1 ILE 752 HA -0.11 0.25 1.11 -0.75 4.18 4.67 1n7pA1 ILE 752 HB -0.15 0.05 0.16 -0.04 1.89 1.90 1n7pA1 ILE 752 HG12 -0.23 0.09 0.07 -0.04 1.49 1.38 1n7pA1 ILE 752 HG13 -0.02 -0.05 -0.16 -0.04 1.21 0.94 1n7pA1 ILE 752 HG23 -0.41 -0.01 -0.29 -0.04 0.93 0.17 1n7pA1 ILE 752 HD13 -0.21 -0.01 -0.10 -0.04 0.88 0.51 1n7pA1 SER 753 H -0.06 0.59 0.44 -0.55 8.46 8.88 1n7pA1 SER 753 HA 0.06 0.32 0.92 -0.75 4.49 5.04 1n7pA1 SER 753 HB2 -0.04 -0.05 0.01 -0.04 3.95 3.83 1n7pA1 SER 753 HB3 -0.02 0.01 -0.08 -0.04 3.93 3.80 1n7pA1 MET 754 H 0.12 0.56 0.38 -0.55 8.47 8.98 1n7pA1 MET 754 HA -0.03 0.41 1.02 -0.75 4.52 5.16 1n7pA1 MET 754 HB2 0.05 -0.03 0.01 -0.04 2.15 2.13 1n7pA1 MET 754 HB3 -0.05 0.01 0.04 -0.04 2.03 1.99 1n7pA1 MET 754 HG2 -0.12 0.07 0.06 -0.04 2.63 2.59 1n7pA1 MET 754 HG3 -0.10 -0.07 -0.36 -0.04 2.56 1.99 1n7pA1 MET 754 HE3 -0.48 -0.00 -0.14 -0.04 2.10 1.44 1n7pA1 SER 755 H -0.01 0.54 0.38 -0.55 8.46 8.82 1n7pA1 SER 755 HA 0.02 0.19 0.65 -0.75 4.49 4.59 1n7pA1 SER 755 HB2 0.00 0.24 -0.05 -0.04 3.95 4.10 1n7pA1 SER 755 HB3 0.00 -0.08 -0.28 -0.04 3.93 3.53 1n7pA1 LYS 756 H 0.01 0.66 0.00 -0.55 8.42 8.54 1n7pA1 LYS 756 HA 0.03 0.31 0.91 -0.75 4.32 4.81 1n7pA1 LYS 756 HB2 0.01 -0.03 -0.10 -0.04 1.87 1.71 1n7pA1 LYS 756 HB3 0.01 -0.02 -0.11 -0.04 1.79 1.62 1n7pA1 LYS 756 HG2 0.01 -0.03 -0.33 -0.04 1.46 1.07 1n7pA1 LYS 756 HG3 0.02 0.02 -0.17 -0.04 1.46 1.28 1n7pA1 LYS 756 HD2 0.01 -0.03 -0.11 -0.04 1.69 1.52 1n7pA1 LYS 756 HD3 0.02 -0.01 -0.08 -0.04 1.68 1.56 1n7pA1 LYS 756 HE2 0.00 0.07 -0.09 -0.04 2.99 2.93 1n7pA1 LYS 756 HE3 0.00 -0.04 -0.10 -0.04 2.99 2.81 1n7pA1 ALA 757 H 0.06 0.62 0.27 -0.55 8.40 8.79 1n7pA1 ALA 757 HA 0.02 0.08 0.91 -0.75 4.34 4.60 1n7pA1 ALA 757 HB3 0.01 0.05 -0.09 -0.04 1.41 1.34 1n7pA1 LEU 758 H 0.02 0.12 0.16 -0.55 8.37 8.12 1n7pA1 LEU 758 HA 0.05 0.12 0.63 -0.75 4.35 4.39 1n7pA1 LEU 758 HB2 0.01 -0.04 0.05 -0.04 1.64 1.62 1n7pA1 LEU 758 HB3 0.01 -0.01 0.11 -0.04 1.64 1.71 1n7pA1 LEU 758 HG 0.01 0.06 -0.29 -0.04 1.64 1.38 1n7pA1 LEU 758 HD13 0.01 0.01 -0.23 -0.04 0.93 0.67 1n7pA1 LEU 758 HD23 0.00 -0.01 -0.08 -0.04 0.89 0.77 1n7pA1 GLN 759 H 0.10 0.74 0.37 -0.55 8.47 9.13 1n7pA1 GLN 759 HA -0.01 0.07 0.89 -0.75 4.36 4.56 1n7pA1 GLN 759 HB2 0.05 0.03 0.11 -0.04 2.15 2.30 1n7pA1 GLN 759 HB3 -0.13 0.15 0.04 -0.04 2.02 2.05 1n7pA1 GLN 759 HG2 -0.05 -0.01 -0.17 -0.04 2.40 2.13 1n7pA1 GLN 759 HG3 0.07 0.00 -0.32 -0.04 2.39 2.10 1n7pA1 GLN 759 HE21 -0.86 -0.27 -0.01 -0.04 6.97 5.80 1n7pA1 GLN 759 HE22 -0.77 0.53 0.00 -0.04 7.69 7.41 1n7pA1 LYS 760 H -0.03 0.18 0.23 -0.55 8.42 8.25 1n7pA1 LYS 760 HA -0.02 0.29 1.09 -0.75 4.32 4.93 1n7pA1 LYS 760 HB2 -0.01 -0.04 0.06 -0.04 1.87 1.84 1n7pA1 LYS 760 HB3 -0.01 0.00 0.05 -0.04 1.79 1.79 1n7pA1 LYS 760 HG2 0.00 0.02 -0.12 -0.04 1.46 1.32 1n7pA1 LYS 760 HG3 -0.00 -0.05 -0.25 -0.04 1.46 1.12 1n7pA1 LYS 760 HD2 -0.00 -0.00 -0.04 -0.04 1.69 1.61 1n7pA1 LYS 760 HD3 -0.00 -0.00 -0.05 -0.04 1.68 1.58 1n7pA1 LYS 760 HE2 0.00 -0.01 -0.05 -0.04 2.99 2.89 1n7pA1 LYS 760 HE3 0.00 -0.01 -0.09 -0.04 2.99 2.86 1n7pA1 GLY 761 H -0.04 0.63 0.41 -0.55 8.43 8.88 1n7pA1 GLY 761 HA2 -0.05 -0.02 0.45 -0.51 4.01 3.88 1n7pA1 GLY 761 HA3 -0.10 0.37 0.42 -0.51 4.01 4.19 1n7pA1 ALA 762 H -0.06 0.23 0.22 -0.55 8.40 8.25 1n7pA1 ALA 762 HA 0.01 0.29 0.92 -0.75 4.34 4.80 1n7pA1 ALA 762 HB3 0.04 -0.00 -0.09 -0.04 1.41 1.32 1n7pA1 TRP 763 H 0.29 0.25 0.16 -0.55 7.97 8.12 1n7pA1 TRP 763 HA 0.02 0.08 0.48 -0.75 4.62 4.43 1n7pA1 TRP 763 HB2 0.01 0.03 0.17 -0.04 3.23 3.40 1n7pA1 TRP 763 HB3 0.01 0.01 0.07 -0.04 3.23 3.27 1n7pA1 TRP 763 HD1 0.03 0.08 0.06 -0.04 7.22 7.35 1n7pA1 TRP 763 HE1 0.06 0.02 -0.02 -0.04 10.20 10.23 1n7pA1 TRP 763 HE3 0.03 0.18 -0.20 -0.04 7.59 7.57 1n7pA1 TRP 763 HZ2 0.13 -0.14 0.01 -0.04 7.44 7.39 1n7pA1 TRP 763 HZ3 0.11 0.25 -0.26 -0.04 7.13 7.19 1n7pA1 TRP 763 HH2 0.26 0.03 -0.08 -0.04 7.19 7.36 1n7pA1 LYS 764 H 0.16 0.41 -0.26 -0.55 8.42 8.18 1n7pA1 LYS 764 HA 0.09 0.33 0.34 -0.75 4.32 4.33 1n7pA1 LYS 764 HB2 0.07 0.06 -0.51 -0.04 1.87 1.45 1n7pA1 LYS 764 HB3 0.05 -0.08 -0.13 -0.04 1.79 1.60 1n7pA1 LYS 764 HG2 0.03 -0.07 -0.10 -0.04 1.46 1.28 1n7pA1 LYS 764 HG3 0.04 0.19 0.04 -0.04 1.46 1.68 1n7pA1 LYS 764 HD2 0.04 -0.12 -0.04 -0.04 1.69 1.53 1n7pA1 LYS 764 HD3 0.03 -0.04 -0.04 -0.04 1.68 1.58 1n7pA1 LYS 764 HE2 0.02 0.12 0.04 -0.04 2.99 3.13 1n7pA1 LYS 764 HE3 0.02 -0.08 0.02 -0.04 2.99 2.90 1n7pA1 ASP 765 H 0.02 0.26 -0.42 -0.55 8.40 7.71 1n7pA1 ASP 765 HA -0.00 0.02 0.36 -0.75 4.63 4.25 1n7pA1 ASP 765 HB2 -0.07 0.15 0.08 -0.04 2.71 2.84 1n7pA1 ASP 765 HB3 -0.04 -0.01 0.04 -0.04 2.70 2.64 1n7pA1 ILE 766 H -0.00 0.41 -0.30 -0.55 8.25 7.80 1n7pA1 ILE 766 HA -0.14 0.11 0.86 -0.75 4.18 4.25 1n7pA1 ILE 766 HB -0.14 -0.21 0.12 -0.04 1.89 1.62 1n7pA1 ILE 766 HG12 -0.02 0.07 0.07 -0.04 1.49 1.57 1n7pA1 ILE 766 HG13 0.10 0.06 -0.06 -0.04 1.21 1.27 1n7pA1 ILE 766 HG23 -0.17 0.04 -0.14 -0.04 0.93 0.62 1n7pA1 ILE 766 HD13 -0.03 0.02 -0.26 -0.04 0.88 0.57 1n7pA1 ASN 767 H 0.02 0.39 -0.17 -0.55 8.53 8.22 1n7pA1 ASN 767 HA -0.03 0.26 0.96 -0.75 4.76 5.19 1n7pA1 ASN 767 HB2 0.05 -0.02 -0.12 -0.04 2.88 2.75 1n7pA1 ASN 767 HB3 0.11 0.05 0.11 -0.04 2.79 3.01 1n7pA1 ASN 767 HD21 -0.02 -0.05 -0.13 -0.04 7.03 6.80 1n7pA1 ASN 767 HD22 0.02 0.06 -0.25 -0.04 7.74 7.53 1n7pA1 GLU 768 H 0.00 0.58 0.27 -0.55 8.60 8.91 1n7pA1 GLU 768 HA 0.02 0.16 0.30 -0.75 4.29 4.02 1n7pA1 GLU 768 HB2 0.02 0.01 0.22 -0.04 2.09 2.31 1n7pA1 GLU 768 HB3 0.02 -0.02 -0.05 -0.04 1.99 1.90 1n7pA1 GLU 768 HG2 0.03 0.05 0.06 -0.04 2.34 2.43 1n7pA1 GLU 768 HG3 0.04 -0.05 0.03 -0.04 2.34 2.32 1n7pA1 GLY 769 H 0.01 0.06 -0.25 -0.55 8.43 7.71 1n7pA1 GLY 769 HA2 0.01 0.09 0.52 -0.51 4.01 4.12 1n7pA1 GLY 769 HA3 0.00 -0.05 0.26 -0.51 4.01 3.72 1n7pA1 GLN 770 H 0.04 0.47 -0.33 -0.55 8.47 8.10 1n7pA1 GLN 770 HA -0.01 0.09 0.63 -0.75 4.36 4.32 1n7pA1 GLN 770 HB2 0.15 0.22 -0.29 -0.04 2.15 2.19 1n7pA1 GLN 770 HB3 0.11 -0.19 0.07 -0.04 2.02 1.97 1n7pA1 GLN 770 HG2 0.03 -0.09 -0.10 -0.04 2.40 2.20 1n7pA1 GLN 770 HG3 0.13 0.28 0.09 -0.04 2.39 2.85 1n7pA1 GLN 770 HE21 -0.12 -0.03 -0.04 -0.04 6.97 6.74 1n7pA1 GLN 770 HE22 -0.05 0.01 -0.17 -0.04 7.69 7.44 1n7pA1 SER 771 H 0.03 0.05 0.15 -0.55 8.46 8.15 1n7pA1 SER 771 HA 0.04 0.13 0.38 -0.75 4.49 4.28 1n7pA1 SER 771 HB2 0.01 0.08 0.14 -0.04 3.95 4.14 1n7pA1 SER 771 HB3 0.07 -0.02 0.19 -0.04 3.93 4.14 1n7pA1 ASP 772 H 0.04 0.20 0.18 -0.55 8.40 8.28 1n7pA1 ASP 772 HA 0.07 0.05 0.72 -0.75 4.63 4.72 1n7pA1 ASP 772 HB2 0.03 0.02 0.15 -0.04 2.71 2.87 1n7pA1 ASP 772 HB3 0.03 0.07 0.10 -0.04 2.70 2.87 1n7pA1 LYS 773 H 0.08 -0.04 -0.37 -0.55 8.42 7.53 1n7pA1 LYS 773 HA 0.05 0.03 0.36 -0.75 4.32 4.01 1n7pA1 LYS 773 HB2 0.06 -0.06 0.08 -0.04 1.87 1.90 1n7pA1 LYS 773 HB3 0.10 -0.03 0.02 -0.04 1.79 1.84 1n7pA1 LYS 773 HG2 0.06 0.24 -0.10 -0.04 1.46 1.63 1n7pA1 LYS 773 HG3 0.04 -0.03 0.05 -0.04 1.46 1.48 1n7pA1 LYS 773 HD2 0.05 -0.07 0.00 -0.04 1.69 1.63 1n7pA1 LYS 773 HD3 0.06 0.03 -0.02 -0.04 1.68 1.71 1n7pA1 LYS 773 HE2 0.03 0.04 0.01 -0.04 2.99 3.03 1n7pA1 LYS 773 HE3 0.03 -0.02 0.01 -0.04 2.99 2.97 1n7pA1 GLU 774 H 0.04 0.06 0.19 -0.55 8.60 8.34 1n7pA1 GLU 774 HA 0.02 0.13 0.51 -0.75 4.29 4.20 1n7pA1 GLU 774 HB2 0.02 -0.01 0.12 -0.04 2.09 2.18 1n7pA1 GLU 774 HB3 0.02 -0.05 0.11 -0.04 1.99 2.03 1n7pA1 GLU 774 HG2 0.01 0.03 -0.24 -0.04 2.34 2.10 1n7pA1 GLU 774 HG3 0.00 0.01 0.06 -0.04 2.34 2.38 1n7pA1 VAL 775 H 0.00 0.77 0.48 -0.55 8.24 8.94 1n7pA1 VAL 775 HA 0.04 0.09 0.77 -0.75 4.13 4.28 1n7pA1 VAL 775 HB -0.07 0.08 0.00 -0.04 2.12 2.09 1n7pA1 VAL 775 HG13 0.03 -0.01 -0.07 -0.04 0.97 0.87 1n7pA1 VAL 775 HG23 0.17 0.01 -0.09 -0.04 0.95 1.00 1n7pA1 GLU 776 H 0.02 0.25 0.19 -0.55 8.60 8.51 1n7pA1 GLU 776 HA 0.00 0.35 0.92 -0.75 4.29 4.81 1n7pA1 GLU 776 HB2 0.01 -0.00 -0.04 -0.04 2.09 2.01 1n7pA1 GLU 776 HB3 0.00 0.00 -0.20 -0.04 1.99 1.76 1n7pA1 GLU 776 HG2 0.01 -0.05 -0.05 -0.04 2.34 2.22 1n7pA1 GLU 776 HG3 0.00 -0.01 -0.13 -0.04 2.34 2.17 1n7pA1 ASN 777 H 0.05 0.69 0.35 -0.55 8.53 9.08 1n7pA1 ASN 777 HA -0.06 0.05 0.56 -0.75 4.76 4.56 1n7pA1 ASN 777 HB2 0.06 0.01 -0.09 -0.04 2.88 2.82 1n7pA1 ASN 777 HB3 -0.38 0.04 -0.04 -0.04 2.79 2.38 1n7pA1 ASN 777 HD21 -0.01 0.37 -0.03 -0.04 7.03 7.32 1n7pA1 ASN 777 HD22 -0.02 0.00 -0.36 -0.04 7.74 7.33 1n7pA1 GLU 778 H -0.12 0.15 0.15 -0.55 8.60 8.22 1n7pA1 GLU 778 HA 0.04 0.27 0.84 -0.75 4.29 4.69 1n7pA1 GLU 778 HB2 -0.04 -0.03 -0.01 -0.04 2.09 1.97 1n7pA1 GLU 778 HB3 -0.08 -0.06 -0.01 -0.04 1.99 1.81 1n7pA1 GLU 778 HG2 -0.01 -0.02 -0.20 -0.04 2.34 2.07 1n7pA1 GLU 778 HG3 0.01 0.08 -0.17 -0.04 2.34 2.22 1n7pA1 PHE 779 H 0.17 0.62 0.34 -0.55 8.34 8.92 1n7pA1 PHE 779 HA -0.02 0.30 0.95 -0.75 4.62 5.10 1n7pA1 PHE 779 HB2 -0.06 0.01 -0.02 -0.04 3.15 3.03 1n7pA1 PHE 779 HB3 -0.06 -0.02 -0.25 -0.04 3.06 2.69 1n7pA1 PHE 779 HD2 -0.08 0.02 -0.44 -0.04 7.28 6.74 1n7pA1 PHE 779 HE2 -0.26 0.02 -0.21 -0.04 7.38 6.90 1n7pA1 PHE 779 HZ -0.46 0.03 -0.17 -0.04 7.32 6.68 1n7pA1 LEU 780 H 0.09 0.65 0.26 -0.55 8.37 8.82 1n7pA1 LEU 780 HA 0.03 0.32 1.00 -0.75 4.35 4.95 1n7pA1 LEU 780 HB2 0.02 -0.03 0.02 -0.04 1.64 1.61 1n7pA1 LEU 780 HB3 0.01 0.00 0.19 -0.04 1.64 1.81 1n7pA1 LEU 780 HG -0.08 -0.05 -0.09 -0.04 1.64 1.38 1n7pA1 LEU 780 HD13 -0.08 0.01 -0.22 -0.04 0.93 0.60 1n7pA1 LEU 780 HD23 -0.05 -0.01 -0.08 -0.04 0.89 0.70 1n7pA1 THR 781 H 0.00 0.58 0.27 -0.55 8.28 8.58 1n7pA1 THR 781 HA -0.02 0.28 0.97 -0.75 4.39 4.87 1n7pA1 THR 781 HB -0.02 -0.06 0.07 -0.04 4.32 4.27 1n7pA1 THR 781 HG23 -0.03 0.02 -0.09 -0.04 1.22 1.07 1n7pA1 ILE 782 H -0.09 0.68 0.33 -0.55 8.25 8.62 1n7pA1 ILE 782 HA -0.11 0.34 1.07 -0.75 4.18 4.72 1n7pA1 ILE 782 HB -0.30 -0.16 0.11 -0.04 1.89 1.50 1n7pA1 ILE 782 HG12 -0.20 0.06 -0.21 -0.04 1.49 1.10 1n7pA1 ILE 782 HG13 -0.19 -0.03 -0.35 -0.04 1.21 0.60 1n7pA1 ILE 782 HG23 -0.26 0.01 -0.07 -0.04 0.93 0.57 1n7pA1 ILE 782 HD13 -0.60 -0.00 -0.16 -0.04 0.88 0.08 1n7pA1 SER 783 H -0.09 0.63 0.38 -0.55 8.46 8.84 1n7pA1 SER 783 HA -0.10 0.10 0.98 -0.75 4.49 4.72 1n7pA1 SER 783 HB2 -0.06 0.00 -0.07 -0.04 3.95 3.77 1n7pA1 SER 783 HB3 -0.05 0.05 -0.11 -0.04 3.93 3.78 1n7pA1 GLN 784 H -0.11 0.61 0.26 -0.55 8.47 8.67 1n7pA1 GLN 784 HA -0.13 0.19 1.05 -0.75 4.36 4.71 1n7pA1 GLN 784 HB2 -0.07 -0.04 -0.07 -0.04 2.15 1.93 1n7pA1 GLN 784 HB3 -0.09 -0.05 0.15 -0.04 2.02 1.99 1n7pA1 GLN 784 HG2 -0.17 0.12 -0.13 -0.04 2.40 2.18 1n7pA1 GLN 784 HG3 -0.08 0.25 0.15 -0.04 2.39 2.67 1n7pA1 GLN 784 HE21 0.29 0.01 0.24 -0.04 6.97 7.47 1n7pA1 GLN 784 HE22 0.20 0.05 0.08 -0.04 7.69 7.98 1n7pA1 ALA 785 H -0.14 0.16 0.14 -0.55 8.40 8.01 1n7pA1 ALA 785 HA -0.19 0.14 0.69 -0.75 4.34 4.23 1n7pA1 ALA 785 HB3 -0.07 -0.01 0.04 -0.04 1.41 1.33 1n7pA1 HIS 786 H -0.00 0.73 0.19 -0.55 8.41 8.78 1n7pA1 HIS 786 HA 0.04 0.12 0.87 -0.75 4.63 4.92 1n7pA1 HIS 786 HB2 0.06 -0.03 -0.03 -0.04 3.26 3.22 1n7pA1 HIS 786 HB3 0.06 0.02 -0.04 -0.04 3.20 3.19 1n7pA1 HIS 786 HD2 0.09 -0.08 -0.37 -0.04 6.97 6.57 1n7pA1 HIS 786 HE1 0.30 0.01 -0.25 -0.04 7.75 7.76 1n7pA1 LYS 787 H 0.06 0.17 0.04 -0.55 8.42 8.15 1n7pA1 LYS 787 HA 0.04 0.12 0.44 -0.75 4.32 4.16 1n7pA1 LYS 787 HB2 0.02 0.00 0.07 -0.04 1.87 1.92 1n7pA1 LYS 787 HB3 0.02 0.03 0.06 -0.04 1.79 1.85 1n7pA1 LYS 787 HG2 0.01 0.02 -0.00 -0.04 1.46 1.45 1n7pA1 LYS 787 HG3 0.01 -0.08 -0.11 -0.04 1.46 1.24 1n7pA1 LYS 787 HD2 -0.01 0.02 -0.02 -0.04 1.69 1.64 1n7pA1 LYS 787 HD3 -0.00 0.02 -0.01 -0.04 1.68 1.64 1n7pA1 LYS 787 HE2 -0.02 0.00 -0.04 -0.04 2.99 2.89 1n7pA1 LYS 787 HE3 -0.01 0.01 -0.03 -0.04 2.99 2.92 1n7pA1 GLN 788 H 0.06 0.08 -0.10 -0.55 8.47 7.97 1n7pA1 GLN 788 HA 0.02 0.20 0.97 -0.75 4.36 4.80 1n7pA1 GLN 788 HB2 0.03 -0.04 -0.01 -0.04 2.15 2.09 1n7pA1 GLN 788 HB3 0.01 0.11 0.04 -0.04 2.02 2.14 1n7pA1 GLN 788 HG2 0.01 0.06 -0.06 -0.04 2.40 2.37 1n7pA1 GLN 788 HG3 0.02 -0.13 -0.28 -0.04 2.39 1.96 1n7pA1 GLN 788 HE21 0.01 -0.00 -0.01 -0.04 6.97 6.92 1n7pA1 GLN 788 HE22 0.01 0.01 -0.02 -0.04 7.69 7.64 1n7pA1 ASN 789 H 0.01 0.12 0.18 -0.55 8.53 8.29 1n7pA1 ASN 789 HA -0.01 0.18 0.75 -0.75 4.76 4.93 1n7pA1 ASN 789 HB2 -0.01 -0.01 0.16 -0.04 2.88 2.98 1n7pA1 ASN 789 HB3 -0.02 0.00 0.06 -0.04 2.79 2.79 1n7pA1 ASN 789 HD21 -0.01 0.11 0.08 -0.04 7.03 7.17 1n7pA1 ASN 789 HD22 -0.01 -0.02 0.07 -0.04 7.74 7.75 1n7pA1 GLY 790 H -0.04 0.38 0.16 -0.55 8.43 8.39 1n7pA1 GLY 790 HA2 -0.06 -0.11 0.33 -0.51 4.01 3.67 1n7pA1 GLY 790 HA3 -0.03 0.09 0.65 -0.51 4.01 4.21 1n7pA1 ASP 791 H -0.01 0.37 0.02 -0.55 8.40 8.24 1n7pA1 ASP 791 HA 0.03 0.08 0.44 -0.75 4.63 4.42 1n7pA1 ASP 791 HB2 0.04 0.12 0.11 -0.04 2.71 2.94 1n7pA1 ASP 791 HB3 0.15 0.01 0.06 -0.04 2.70 2.88 1n7pA1 SER 792 H 0.09 0.27 0.26 -0.55 8.46 8.53 1n7pA1 SER 792 HA -0.12 0.09 0.59 -0.75 4.49 4.29 1n7pA1 SER 792 HB2 -0.08 0.22 0.29 -0.04 3.95 4.35 1n7pA1 SER 792 HB3 -0.06 -0.07 -0.02 -0.04 3.93 3.74 1n7pA1 TYR 793 H -0.33 0.50 0.39 -0.55 8.29 8.30 1n7pA1 TYR 793 HA 0.21 0.14 0.62 -0.75 4.56 4.78 1n7pA1 TYR 793 HB2 0.39 -0.02 0.05 -0.04 3.06 3.44 1n7pA1 TYR 793 HB3 0.36 0.05 -0.05 -0.04 2.98 3.30 1n7pA1 TYR 793 HD2 0.11 0.04 -0.33 -0.04 7.15 6.93 1n7pA1 TYR 793 HE2 0.00 -0.02 -0.36 -0.04 6.85 6.44 1n7pA1 GLY 794 H 0.49 0.21 0.11 -0.55 8.43 8.70 1n7pA1 GLY 794 HA2 0.24 0.35 0.83 -0.51 4.01 4.92 1n7pA1 GLY 794 HA3 0.31 -0.02 0.45 -0.51 4.01 4.24 1n7pA1 TYR 795 H -0.11 0.62 0.40 -0.55 8.29 8.64 1n7pA1 TYR 795 HA -0.74 0.24 0.86 -0.75 4.56 4.16 1n7pA1 TYR 795 HB2 -0.73 -0.03 -0.12 -0.04 3.06 2.14 1n7pA1 TYR 795 HB3 -0.65 0.05 -0.14 -0.04 2.98 2.19 1n7pA1 TYR 795 HD2 -0.02 -0.05 -0.32 -0.04 7.15 6.72 1n7pA1 TYR 795 HE2 -0.61 0.03 -0.12 -0.04 6.85 6.11 1n7pA1 MET 796 H -0.30 0.59 0.36 -0.55 8.47 8.57 1n7pA1 MET 796 HA 0.14 0.15 0.96 -0.75 4.52 5.02 1n7pA1 MET 796 HB2 0.04 -0.00 0.00 -0.04 2.15 2.15 1n7pA1 MET 796 HB3 0.11 -0.05 0.15 -0.04 2.03 2.20 1n7pA1 MET 796 HG2 0.13 -0.01 -0.14 -0.04 2.63 2.57 1n7pA1 MET 796 HG3 0.10 0.09 -0.36 -0.04 2.56 2.35 1n7pA1 MET 796 HE3 0.27 -0.00 -0.10 -0.04 2.10 2.22 1n7pA1 LEU 797 H 0.19 0.71 0.34 -0.55 8.37 9.07 1n7pA1 LEU 797 HA -0.14 0.25 0.94 -0.75 4.35 4.64 1n7pA1 LEU 797 HB2 0.00 0.01 0.09 -0.04 1.64 1.70 1n7pA1 LEU 797 HB3 0.16 -0.01 0.24 -0.04 1.64 1.99 1n7pA1 LEU 797 HG -0.17 -0.01 -0.24 -0.04 1.64 1.18 1n7pA1 LEU 797 HD13 -0.34 0.04 -0.05 -0.04 0.93 0.54 1n7pA1 LEU 797 HD23 0.03 -0.01 -0.08 -0.04 0.89 0.80 1n7pA1 ILE 798 H -0.15 0.70 0.24 -0.55 8.25 8.48 1n7pA1 ILE 798 HA -0.08 0.25 0.95 -0.75 4.18 4.54 1n7pA1 ILE 798 HB 0.27 -0.11 0.10 -0.04 1.89 2.11 1n7pA1 ILE 798 HG12 0.05 0.05 -0.23 -0.04 1.49 1.32 1n7pA1 ILE 798 HG13 0.12 -0.01 -0.53 -0.04 1.21 0.74 1n7pA1 ILE 798 HG23 0.09 0.02 -0.11 -0.04 0.93 0.89 1n7pA1 ILE 798 HD13 0.05 -0.02 -0.14 -0.04 0.88 0.73 1n7pA1 PRO 799 HA -0.21 0.17 0.84 -0.51 4.44 4.73 1n7pA1 PRO 799 HB2 -0.36 0.07 -0.05 -0.04 2.28 1.90 1n7pA1 PRO 799 HB3 -0.32 -0.02 0.03 -0.04 2.02 1.67 1n7pA1 PRO 799 HG2 -1.77 0.04 -0.08 -0.04 2.03 0.18 1n7pA1 PRO 799 HG3 -0.98 0.00 -0.09 -0.04 2.03 0.92 1n7pA1 PRO 799 HD2 -0.35 0.38 0.24 -0.04 3.68 3.91 1n7pA1 PRO 799 HD3 -0.34 0.14 -0.07 -0.04 3.65 3.34 1n7pA1 ASN 800 H -0.07 0.54 0.23 -0.55 8.53 8.68 1n7pA1 ASN 800 HA 0.03 0.20 0.45 -0.75 4.76 4.68 1n7pA1 ASN 800 HB2 0.11 0.09 -0.42 -0.04 2.88 2.62 1n7pA1 ASN 800 HB3 0.11 0.03 0.15 -0.04 2.79 3.04 1n7pA1 ASN 800 HD21 0.21 0.14 -0.02 -0.04 7.03 7.31 1n7pA1 ASN 800 HD22 0.19 0.47 -0.07 -0.04 7.74 8.29 1n7pA1 VAL 801 H 0.06 0.14 -0.16 -0.55 8.24 7.74 1n7pA1 VAL 801 HA 0.07 0.16 0.85 -0.75 4.13 4.45 1n7pA1 VAL 801 HB 0.06 -0.15 0.01 -0.04 2.12 2.01 1n7pA1 VAL 801 HG13 0.05 0.08 -0.20 -0.04 0.97 0.86 1n7pA1 VAL 801 HG23 0.17 0.02 -0.26 -0.04 0.95 0.84 1n7pA1 ASP 802 H 0.05 0.11 0.13 -0.55 8.40 8.14 1n7pA1 ASP 802 HA 0.17 0.23 0.68 -0.75 4.63 4.95 1n7pA1 ASP 802 HB2 0.03 -0.01 0.19 -0.04 2.71 2.88 1n7pA1 ASP 802 HB3 0.05 0.10 0.11 -0.04 2.70 2.92 1n7pA1 ARG 803 H -0.08 0.20 0.14 -0.55 8.46 8.18 1n7pA1 ARG 803 HA -1.20 0.12 0.28 -0.75 4.34 2.79 1n7pA1 ARG 803 HB2 -0.36 0.06 0.07 -0.04 1.90 1.63 1n7pA1 ARG 803 HB3 -0.24 -0.02 0.12 -0.04 1.80 1.62 1n7pA1 ARG 803 HG2 -0.39 0.01 -0.21 -0.04 1.67 1.03 1n7pA1 ARG 803 HG3 -0.76 -0.00 -0.05 -0.04 1.67 0.81 1n7pA1 ARG 803 HD2 -0.97 0.02 -0.07 -0.04 3.22 2.15 1n7pA1 ARG 803 HD3 -0.29 -0.01 -0.04 -0.04 3.22 2.85 1n7pA1 ALA 804 H -0.13 0.10 -0.07 -0.55 8.40 7.75 1n7pA1 ALA 804 HA -0.13 0.13 0.40 -0.75 4.34 3.99 1n7pA1 ALA 804 HB3 -0.07 0.03 0.04 -0.04 1.41 1.37 1n7pA1 THR 805 H -0.06 0.03 -0.37 -0.55 8.28 7.33 1n7pA1 THR 805 HA -0.06 0.09 0.47 -0.75 4.39 4.14 1n7pA1 THR 805 HB 0.00 0.06 0.07 -0.04 4.32 4.41 1n7pA1 THR 805 HG23 -0.01 0.03 -0.05 -0.04 1.22 1.15 1n7pA1 PHE 806 H -0.00 0.62 -0.14 -0.55 8.34 8.27 1n7pA1 PHE 806 HA -0.11 0.04 0.41 -0.75 4.62 4.20 1n7pA1 PHE 806 HB2 -0.11 0.06 -0.04 -0.04 3.15 3.02 1n7pA1 PHE 806 HB3 -0.57 0.08 0.07 -0.04 3.06 2.60 1n7pA1 PHE 806 HD2 -0.18 0.03 -0.11 -0.04 7.28 6.98 1n7pA1 PHE 806 HE2 0.04 -0.01 -0.22 -0.04 7.38 7.14 1n7pA1 PHE 806 HZ 0.13 0.11 -0.26 -0.04 7.32 7.25 1n7pA1 ASN 807 H -0.14 0.54 -0.24 -0.55 8.53 8.14 1n7pA1 ASN 807 HA -0.38 0.02 0.32 -0.75 4.76 3.96 1n7pA1 ASN 807 HB2 -0.14 0.07 0.12 -0.04 2.88 2.89 1n7pA1 ASN 807 HB3 -0.14 -0.01 0.00 -0.04 2.79 2.60 1n7pA1 ASN 807 HD21 -0.17 -0.05 -0.09 -0.04 7.03 6.68 1n7pA1 ASN 807 HD22 -0.14 -0.04 -0.08 -0.04 7.74 7.45 1n7pA1 GLN 808 H -0.15 0.42 -0.24 -0.55 8.47 7.95 1n7pA1 GLN 808 HA -0.14 0.04 0.50 -0.75 4.36 4.00 1n7pA1 GLN 808 HB2 -0.09 0.08 0.14 -0.04 2.15 2.24 1n7pA1 GLN 808 HB3 -0.10 0.07 0.12 -0.04 2.02 2.07 1n7pA1 GLN 808 HG2 -0.08 -0.01 -0.05 -0.04 2.40 2.22 1n7pA1 GLN 808 HG3 -0.09 -0.03 0.07 -0.04 2.39 2.29 1n7pA1 GLN 808 HE21 -0.04 -0.01 -0.01 -0.04 6.97 6.87 1n7pA1 GLN 808 HE22 -0.05 -0.00 -0.00 -0.04 7.69 7.59 1n7pA1 MET 809 H -0.19 0.61 -0.08 -0.55 8.47 8.27 1n7pA1 MET 809 HA -0.16 -0.01 0.41 -0.75 4.52 4.01 1n7pA1 MET 809 HB2 -0.19 0.10 0.13 -0.04 2.15 2.16 1n7pA1 MET 809 HB3 -0.16 -0.04 -0.08 -0.04 2.03 1.71 1n7pA1 MET 809 HG2 -0.08 -0.06 0.00 -0.04 2.63 2.46 1n7pA1 MET 809 HG3 -0.08 0.03 0.01 -0.04 2.56 2.49 1n7pA1 MET 809 HE3 0.03 0.05 -0.27 -0.04 2.10 1.87 1n7pA1 ILE 810 H -0.53 0.54 -0.23 -0.55 8.25 7.47 1n7pA1 ILE 810 HA -0.87 0.03 0.38 -0.75 4.18 2.97 1n7pA1 ILE 810 HB -1.66 0.01 0.01 -0.04 1.89 0.21 1n7pA1 ILE 810 HG12 -0.57 0.16 0.10 -0.04 1.49 1.14 1n7pA1 ILE 810 HG13 -0.44 0.01 -0.17 -0.04 1.21 0.58 1n7pA1 ILE 810 HG23 -1.06 0.04 -0.05 -0.04 0.93 -0.18 1n7pA1 ILE 810 HD13 -0.39 -0.02 -0.10 -0.04 0.88 0.33 1n7pA1 LYS 811 H -0.30 0.35 -0.29 -0.55 8.42 7.62 1n7pA1 LYS 811 HA -0.16 0.06 0.57 -0.75 4.32 4.04 1n7pA1 LYS 811 HB2 -0.14 0.13 0.17 -0.04 1.87 1.99 1n7pA1 LYS 811 HB3 -0.09 -0.05 0.06 -0.04 1.79 1.67 1n7pA1 LYS 811 HG2 -0.17 0.07 0.06 -0.04 1.46 1.38 1n7pA1 LYS 811 HG3 -0.10 -0.03 0.04 -0.04 1.46 1.32 1n7pA1 LYS 811 HD2 -0.05 -0.03 0.02 -0.04 1.69 1.59 1n7pA1 LYS 811 HD3 -0.06 -0.00 0.05 -0.04 1.68 1.62 1n7pA1 LYS 811 HE2 -0.05 -0.02 -0.02 -0.04 2.99 2.87 1n7pA1 LYS 811 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.91 1n7pA1 GLU 812 H -0.18 0.41 -0.17 -0.55 8.60 8.12 1n7pA1 GLU 812 HA -0.08 0.02 0.39 -0.75 4.29 3.86 1n7pA1 GLU 812 HB2 -0.13 0.17 0.16 -0.04 2.09 2.25 1n7pA1 GLU 812 HB3 -0.10 -0.12 0.07 -0.04 1.99 1.80 1n7pA1 GLU 812 HG2 -0.08 -0.05 0.03 -0.04 2.34 2.21 1n7pA1 GLU 812 HG3 -0.11 0.19 0.08 -0.04 2.34 2.46 1n7pA1 LEU 813 H -0.22 0.34 -0.48 -0.55 8.37 7.46 1n7pA1 LEU 813 HA -0.01 0.03 0.59 -0.75 4.35 4.22 1n7pA1 LEU 813 HB2 -0.28 0.16 0.11 -0.04 1.64 1.59 1n7pA1 LEU 813 HB3 0.21 -0.05 0.10 -0.04 1.64 1.86 1n7pA1 LEU 813 HG 0.14 -0.05 0.02 -0.04 1.64 1.70 1n7pA1 LEU 813 HD13 -0.06 -0.01 -0.05 -0.04 0.93 0.77 1n7pA1 LEU 813 HD23 -0.07 0.03 -0.12 -0.04 0.89 0.69 1n7pA1 GLU 814 H -0.02 0.41 -0.42 -0.55 8.60 8.02 1n7pA1 GLU 814 HA 0.32 0.09 0.28 -0.75 4.29 4.22 1n7pA1 GLU 814 HB2 0.03 0.06 0.20 -0.04 2.09 2.33 1n7pA1 GLU 814 HB3 0.04 -0.00 0.13 -0.04 1.99 2.11 1n7pA1 GLU 814 HG2 0.06 -0.05 0.03 -0.04 2.34 2.34 1n7pA1 GLU 814 HG3 0.10 -0.01 -0.13 -0.04 2.34 2.26 1n7pA1 SER 815 H 0.07 0.11 -0.30 -0.55 8.46 7.80 1n7pA1 SER 815 HA 0.08 0.24 0.87 -0.75 4.49 4.93 1n7pA1 SER 815 HB2 0.06 0.01 0.14 -0.04 3.95 4.11 1n7pA1 SER 815 HB3 0.06 -0.01 -0.02 -0.04 3.93 3.91 1n7pA1 SER 816 H 0.14 0.58 -0.24 -0.55 8.46 8.40 1n7pA1 SER 816 HA 0.03 0.06 0.49 -0.75 4.49 4.32 1n7pA1 SER 816 HB2 -0.00 -0.04 0.18 -0.04 3.95 4.05 1n7pA1 SER 816 HB3 0.04 -0.07 0.22 -0.04 3.93 4.07 1n7pA1 LEU 817 H -0.11 0.18 -0.22 -0.55 8.37 7.67 1n7pA1 LEU 817 HA -0.48 0.04 0.73 -0.75 4.35 3.88 1n7pA1 LEU 817 HB2 -0.90 -0.04 0.05 -0.04 1.64 0.70 1n7pA1 LEU 817 HB3 -0.18 0.06 0.06 -0.04 1.64 1.55 1n7pA1 LEU 817 HG -0.20 -0.03 -0.10 -0.04 1.64 1.27 1n7pA1 LEU 817 HD13 -0.11 -0.01 -0.51 -0.04 0.93 0.26 1n7pA1 LEU 817 HD23 -0.44 0.02 -0.05 -0.04 0.89 0.37 1n7pA1 ILE 818 H -0.16 0.48 0.37 -0.55 8.25 8.39 1n7pA1 ILE 818 HA -0.02 0.12 0.59 -0.75 4.18 4.11 1n7pA1 ILE 818 HB -0.01 0.03 0.02 -0.04 1.89 1.89 1n7pA1 ILE 818 HG12 0.08 0.10 -0.11 -0.04 1.49 1.52 1n7pA1 ILE 818 HG13 0.24 -0.08 -0.17 -0.04 1.21 1.17 1n7pA1 ILE 818 HG23 -0.01 -0.03 -0.13 -0.04 0.93 0.72 1n7pA1 ILE 818 HD13 0.08 0.01 -0.11 -0.04 0.88 0.82 1n7pA1 GLU 819 H -0.10 0.36 0.28 -0.55 8.60 8.58 1n7pA1 GLU 819 HA -0.05 0.13 0.42 -0.75 4.29 4.04 1n7pA1 GLU 819 HB2 -0.03 0.09 -0.18 -0.04 2.09 1.93 1n7pA1 GLU 819 HB3 -0.02 -0.09 -0.19 -0.04 1.99 1.65 1n7pA1 GLU 819 HG2 -0.01 -0.06 -0.02 -0.04 2.34 2.20 1n7pA1 GLU 819 HG3 -0.01 0.05 0.01 -0.04 2.34 2.34 1n7pA1 ASN 820 H -0.04 0.17 -0.01 -0.55 8.53 8.10 1n7pA1 ASN 820 HA -0.03 0.11 0.57 -0.75 4.76 4.65 1n7pA1 ASN 820 HB2 -0.10 0.03 0.03 -0.04 2.88 2.80 1n7pA1 ASN 820 HB3 -0.05 -0.01 0.13 -0.04 2.79 2.81 1n7pA1 ASN 820 HD21 -0.15 0.24 0.16 -0.04 7.03 7.23 1n7pA1 ASN 820 HD22 -0.03 -0.09 -0.01 -0.04 7.74 7.58 1n7pA1 ASN 821 H -0.00 0.62 0.21 -0.55 8.53 8.82 1n7pA1 ASN 821 HA -0.04 0.25 0.84 -0.75 4.76 5.06 1n7pA1 ASN 821 HB2 -0.02 -0.09 0.24 -0.04 2.88 2.97 1n7pA1 ASN 821 HB3 -0.02 0.10 -0.00 -0.04 2.79 2.83 1n7pA1 ASN 821 HD21 -0.01 0.02 0.01 -0.04 7.03 7.01 1n7pA1 ASN 821 HD22 -0.01 0.07 0.02 -0.04 7.74 7.77 1n7pA1 GLU 822 H -0.03 0.18 0.17 -0.55 8.60 8.37 1n7pA1 GLU 822 HA -0.07 0.12 0.33 -0.75 4.29 3.91 1n7pA1 GLU 822 HB2 -0.10 0.06 0.10 -0.04 2.09 2.11 1n7pA1 GLU 822 HB3 -0.09 -0.00 0.14 -0.04 1.99 2.00 1n7pA1 GLU 822 HG2 -0.00 0.02 -0.27 -0.04 2.34 2.06 1n7pA1 GLU 822 HG3 -0.03 0.05 -0.02 -0.04 2.34 2.29 1n7pA1 THR 823 H 0.03 -0.03 -0.24 -0.55 8.28 7.48 1n7pA1 THR 823 HA 0.11 0.29 1.00 -0.75 4.39 5.04 1n7pA1 THR 823 HB 0.07 -0.07 0.03 -0.04 4.32 4.32 1n7pA1 THR 823 HG23 0.04 0.01 -0.16 -0.04 1.22 1.07 1n7pA1 LEU 824 H 0.06 0.05 -0.09 -0.55 8.37 7.84 1n7pA1 LEU 824 HA 0.14 0.38 0.97 -0.75 4.35 5.09 1n7pA1 LEU 824 HB2 0.05 0.03 -0.19 -0.04 1.64 1.48 1n7pA1 LEU 824 HB3 0.02 -0.10 -0.01 -0.04 1.64 1.52 1n7pA1 LEU 824 HG 0.03 -0.02 -0.36 -0.04 1.64 1.25 1n7pA1 LEU 824 HD13 0.05 0.05 -0.09 -0.04 0.93 0.90 1n7pA1 LEU 824 HD23 -0.03 -0.01 -0.14 -0.04 0.89 0.67 1n7pA1 GLN 825 H 0.19 0.65 0.27 -0.55 8.47 9.03 1n7pA1 GLN 825 HA 0.04 0.26 0.71 -0.75 4.36 4.62 1n7pA1 GLN 825 HB2 0.31 -0.04 0.06 -0.04 2.15 2.44 1n7pA1 GLN 825 HB3 0.24 0.02 -0.01 -0.04 2.02 2.23 1n7pA1 GLN 825 HG2 0.03 -0.02 -0.05 -0.04 2.40 2.31 1n7pA1 GLN 825 HG3 0.11 -0.04 -0.50 -0.04 2.39 1.92 1n7pA1 GLN 825 HE21 -0.06 0.36 -0.20 -0.04 6.97 7.02 1n7pA1 GLN 825 HE22 -0.07 -0.06 -0.31 -0.04 7.69 7.21 1n7pA1 SER 826 H -0.12 0.62 0.34 -0.55 8.46 8.76 1n7pA1 SER 826 HA 0.04 0.24 0.91 -0.75 4.49 4.93 1n7pA1 SER 826 HB2 0.11 0.01 -0.17 -0.04 3.95 3.86 1n7pA1 SER 826 HB3 0.02 -0.14 -0.04 -0.04 3.93 3.73 1n7pA1 VAL 827 H -0.24 0.46 0.36 -0.55 8.24 8.26 1n7pA1 VAL 827 HA -0.26 0.25 1.04 -0.75 4.13 4.41 1n7pA1 VAL 827 HB -0.36 -0.06 0.06 -0.04 2.12 1.72 1n7pA1 VAL 827 HG13 -0.13 0.01 -0.16 -0.04 0.97 0.65 1n7pA1 VAL 827 HG23 -0.93 -0.01 -0.18 -0.04 0.95 -0.22 1n7pA1 TYR 828 H -0.01 0.75 0.36 -0.55 8.29 8.83 1n7pA1 TYR 828 HA -0.29 0.20 1.05 -0.75 4.56 4.76 1n7pA1 TYR 828 HB2 -0.13 -0.05 -0.09 -0.04 3.06 2.75 1n7pA1 TYR 828 HB3 -0.14 0.10 0.12 -0.04 2.98 3.02 1n7pA1 TYR 828 HD2 -0.86 0.11 -0.18 -0.04 7.15 6.18 1n7pA1 TYR 828 HE2 -0.83 -0.01 -0.19 -0.04 6.85 5.78 1n7pA1 ASP 829 H -0.34 0.77 0.29 -0.55 8.40 8.57 1n7pA1 ASP 829 HA -0.32 0.13 0.83 -0.75 4.63 4.52 1n7pA1 ASP 829 HB2 -0.11 0.08 0.05 -0.04 2.71 2.69 1n7pA1 ASP 829 HB3 -0.19 -0.02 0.27 -0.04 2.70 2.72 1n7pA1 ALA 830 H -0.58 0.30 0.06 -0.55 8.40 7.63 1n7pA1 ALA 830 HA -0.96 0.09 0.37 -0.75 4.34 3.08 1n7pA1 ALA 830 HB3 -0.28 0.04 0.06 -0.04 1.41 1.19 1n7pA1 LYS 831 H -0.23 0.07 -0.11 -0.55 8.42 7.59 1n7pA1 LYS 831 HA -0.10 0.12 0.37 -0.75 4.32 3.95 1n7pA1 LYS 831 HB2 -0.12 -0.07 0.07 -0.04 1.87 1.70 1n7pA1 LYS 831 HB3 -0.08 0.06 -0.15 -0.04 1.79 1.57 1n7pA1 LYS 831 HG2 -0.07 0.04 0.03 -0.04 1.46 1.41 1n7pA1 LYS 831 HG3 -0.09 -0.00 0.02 -0.04 1.46 1.34 1n7pA1 LYS 831 HD2 -0.06 -0.00 -0.03 -0.04 1.69 1.56 1n7pA1 LYS 831 HD3 -0.05 0.02 -0.04 -0.04 1.68 1.57 1n7pA1 LYS 831 HE2 -0.05 0.01 -0.02 -0.04 2.99 2.89 1n7pA1 LYS 831 HE3 -0.06 0.00 -0.01 -0.04 2.99 2.88 1n7pA1 GLN 832 H -0.16 0.01 -0.22 -0.55 8.47 7.55 1n7pA1 GLN 832 HA -0.06 0.14 0.65 -0.75 4.36 4.34 1n7pA1 GLN 832 HB2 -0.10 -0.03 0.04 -0.04 2.15 2.02 1n7pA1 GLN 832 HB3 -0.04 0.01 -0.08 -0.04 2.02 1.87 1n7pA1 GLN 832 HG2 -0.03 0.04 -0.04 -0.04 2.40 2.32 1n7pA1 GLN 832 HG3 -0.05 -0.04 -0.05 -0.04 2.39 2.20 1n7pA1 GLN 832 HE21 0.00 -0.06 -0.23 -0.04 6.97 6.64 1n7pA1 GLN 832 HE22 -0.03 0.02 -0.08 -0.04 7.69 7.56 1n7pA1 GLY 833 H -0.23 0.18 -0.30 -0.55 8.43 7.54 1n7pA1 GLY 833 HA2 -0.14 0.00 0.30 -0.51 4.01 3.66 1n7pA1 GLY 833 HA3 -0.01 0.14 0.67 -0.51 4.01 4.31 1n7pA1 VAL 834 H -0.26 0.36 0.16 -0.55 8.24 7.95 1n7pA1 VAL 834 HA 0.22 0.37 1.14 -0.75 4.13 5.10 1n7pA1 VAL 834 HB -0.01 -0.12 0.02 -0.04 2.12 1.98 1n7pA1 VAL 834 HG13 0.15 -0.01 -0.23 -0.04 0.97 0.84 1n7pA1 VAL 834 HG23 0.05 0.01 -0.28 -0.04 0.95 0.69 1n7pA1 TRP 835 H 0.66 0.69 0.37 -0.55 7.97 9.15 1n7pA1 TRP 835 HA 0.29 0.23 1.13 -0.75 4.62 5.51 1n7pA1 TRP 835 HB2 0.32 -0.06 0.01 -0.04 3.23 3.45 1n7pA1 TRP 835 HB3 0.25 0.06 -0.14 -0.04 3.23 3.36 1n7pA1 TRP 835 HD1 0.03 0.02 -0.19 -0.04 7.22 7.04 1n7pA1 TRP 835 HE1 -0.53 -0.02 -0.20 -0.04 10.20 9.41 1n7pA1 TRP 835 HE3 0.30 0.12 -0.19 -0.04 7.59 7.78 1n7pA1 TRP 835 HZ2 -0.34 0.03 -0.14 -0.04 7.44 6.95 1n7pA1 TRP 835 HZ3 0.33 0.01 -0.18 -0.04 7.13 7.25 1n7pA1 TRP 835 HH2 0.27 0.03 -0.12 -0.04 7.19 7.32 1n7pA1 GLY 836 H 0.37 0.59 0.36 -0.55 8.43 9.20 1n7pA1 GLY 836 HA2 0.38 0.28 0.96 -0.51 4.01 5.12 1n7pA1 GLY 836 HA3 0.58 -0.02 0.44 -0.51 4.01 4.49 1n7pA1 ILE 837 H 0.37 0.69 0.35 -0.55 8.25 9.11 1n7pA1 ILE 837 HA 0.37 0.28 1.07 -0.75 4.18 5.14 1n7pA1 ILE 837 HB 0.16 -0.05 -0.06 -0.04 1.89 1.90 1n7pA1 ILE 837 HG12 0.19 0.02 -0.23 -0.04 1.49 1.43 1n7pA1 ILE 837 HG13 0.35 -0.13 -0.83 -0.04 1.21 0.55 1n7pA1 ILE 837 HG23 0.05 -0.01 -0.23 -0.04 0.93 0.70 1n7pA1 ILE 837 HD13 0.12 -0.01 -0.24 -0.04 0.88 0.71 1n7pA1 VAL 838 H 0.32 0.73 0.37 -0.55 8.24 9.12 1n7pA1 VAL 838 HA 0.26 0.25 1.06 -0.75 4.13 4.96 1n7pA1 VAL 838 HB 0.29 -0.06 0.08 -0.04 2.12 2.39 1n7pA1 VAL 838 HG13 0.20 0.00 -0.20 -0.04 0.97 0.93 1n7pA1 VAL 838 HG23 0.03 0.00 -0.19 -0.04 0.95 0.75 1n7pA1 LYS 839 H 0.31 0.75 0.35 -0.55 8.42 9.29 1n7pA1 LYS 839 HA 0.21 0.24 1.07 -0.75 4.32 5.08 1n7pA1 LYS 839 HB2 0.35 0.10 0.15 -0.04 1.87 2.43 1n7pA1 LYS 839 HB3 0.17 0.11 -0.05 -0.04 1.79 1.98 1n7pA1 LYS 839 HG2 0.08 -0.02 -0.06 -0.04 1.46 1.42 1n7pA1 LYS 839 HG3 0.09 -0.10 -0.27 -0.04 1.46 1.14 1n7pA1 LYS 839 HD2 -0.08 -0.07 -0.23 -0.04 1.69 1.27 1n7pA1 LYS 839 HD3 0.12 0.05 -0.25 -0.04 1.68 1.56 1n7pA1 LYS 839 HE2 0.04 0.05 -0.44 -0.04 2.99 2.60 1n7pA1 LYS 839 HE3 0.11 0.11 -0.43 -0.04 2.99 2.75 1n7pA1 TYR 840 H 0.28 0.65 0.27 -0.55 8.29 8.93 1n7pA1 TYR 840 HA -0.23 0.12 0.83 -0.75 4.56 4.54 1n7pA1 TYR 840 HB2 -0.03 0.04 0.17 -0.04 3.06 3.20 1n7pA1 TYR 840 HB3 -0.16 -0.02 0.17 -0.04 2.98 2.92 1n7pA1 TYR 840 HD2 -0.20 -0.01 -0.15 -0.04 7.15 6.75 1n7pA1 TYR 840 HE2 -0.08 -0.02 -0.10 -0.04 6.85 6.62 1n7pA1 ASP 841 H 0.09 0.19 0.01 -0.55 8.40 8.14 1n7pA1 ASP 841 HA -0.01 0.18 0.61 -0.75 4.63 4.66 1n7pA1 ASP 841 HB2 0.01 -0.05 0.16 -0.04 2.71 2.80 1n7pA1 ASP 841 HB3 0.03 0.11 -0.14 -0.04 2.70 2.66 1n7pA1 ASP 842 H 0.01 0.15 0.10 -0.55 8.40 8.11 1n7pA1 ASP 842 HA 0.04 0.17 0.61 -0.75 4.63 4.71 1n7pA1 ASP 842 HB2 0.01 -0.04 0.11 -0.04 2.71 2.75 1n7pA1 ASP 842 HB3 0.01 0.13 0.24 -0.04 2.70 3.04 1n7pA1 SER 843 H 0.02 -0.06 -0.36 -0.55 8.46 7.51 1n7pA1 SER 843 HA -0.01 0.06 0.58 -0.75 4.49 4.38 1n7pA1 SER 843 HB2 -0.01 0.05 -0.01 -0.04 3.95 3.94 1n7pA1 SER 843 HB3 0.00 -0.05 0.01 -0.04 3.93 3.85 1n7pA1 VAL 844 H -0.02 0.06 0.09 -0.55 8.24 7.82 1n7pA1 VAL 844 HA -0.05 0.23 0.63 -0.75 4.13 4.19 1n7pA1 VAL 844 HB -0.05 -0.06 0.11 -0.04 2.12 2.08 1n7pA1 VAL 844 HG13 -0.08 -0.02 -0.24 -0.04 0.97 0.59 1n7pA1 VAL 844 HG23 -0.04 0.01 -0.03 -0.04 0.95 0.85 1n7pA1 SER 845 H -0.08 0.70 0.21 -0.55 8.46 8.75 1n7pA1 SER 845 HA -0.08 0.11 0.86 -0.75 4.49 4.63 1n7pA1 SER 845 HB2 -0.10 -0.01 0.07 -0.04 3.95 3.87 1n7pA1 SER 845 HB3 -0.09 -0.01 -0.11 -0.04 3.93 3.68 1n7pA1 THR 846 H -0.12 0.19 0.08 -0.55 8.28 7.87 1n7pA1 THR 846 HA -0.26 0.24 0.89 -0.75 4.39 4.51 1n7pA1 THR 846 HB -0.13 0.00 0.07 -0.04 4.32 4.22 1n7pA1 THR 846 HG23 -0.18 -0.03 -0.18 -0.04 1.22 0.79 1n7pA1 ILE 847 H -0.58 0.75 0.30 -0.55 8.25 8.17 1n7pA1 ILE 847 HA -0.34 0.17 0.83 -0.75 4.18 4.09 1n7pA1 ILE 847 HB -1.93 -0.02 -0.02 -0.04 1.89 -0.12 1n7pA1 ILE 847 HG12 -0.42 0.05 -0.42 -0.04 1.49 0.66 1n7pA1 ILE 847 HG13 -0.33 0.01 -0.23 -0.04 1.21 0.61 1n7pA1 ILE 847 HG23 -0.58 0.01 -0.24 -0.04 0.93 0.08 1n7pA1 ILE 847 HD13 -0.16 0.04 -0.30 -0.04 0.88 0.42 1n7pA1 SER 848 H -0.18 0.26 0.11 -0.55 8.46 8.10 1n7pA1 SER 848 HA -0.06 0.10 0.27 -0.75 4.49 4.05 1n7pA1 SER 848 HB2 -0.11 0.07 -0.20 -0.04 3.95 3.67 1n7pA1 SER 848 HB3 0.06 0.05 0.10 -0.04 3.93 4.10 1n7pA1 ASN 849 H -0.17 0.06 -0.37 -0.55 8.53 7.51 1n7pA1 ASN 849 HA -0.14 -0.04 0.10 -0.75 4.76 3.93 1n7pA1 ASN 849 HB2 -0.04 0.11 -0.14 -0.04 2.88 2.78 1n7pA1 ASN 849 HB3 -0.04 -0.01 0.17 -0.04 2.79 2.87 1n7pA1 ASN 849 HD21 -0.06 0.03 -0.04 -0.04 7.03 6.91 1n7pA1 ASN 849 HD22 -0.07 -0.03 -0.04 -0.04 7.74 7.56 1n7pA1 GLN 850 H -0.33 0.31 -0.25 -0.55 8.47 7.65 1n7pA1 GLN 850 HA 0.00 0.13 0.87 -0.75 4.36 4.61 1n7pA1 GLN 850 HB2 -0.23 0.06 -0.01 -0.04 2.15 1.94 1n7pA1 GLN 850 HB3 0.26 -0.06 -0.05 -0.04 2.02 2.13 1n7pA1 GLN 850 HG2 0.05 0.17 -0.36 -0.04 2.40 2.22 1n7pA1 GLN 850 HG3 0.11 -0.01 -0.07 -0.04 2.39 2.38 1n7pA1 GLN 850 HE21 0.46 0.01 -0.06 -0.04 6.97 7.34 1n7pA1 GLN 850 HE22 0.74 -0.02 -0.09 -0.04 7.69 8.28 1n7pA1 PHE 851 H -0.68 0.33 0.23 -0.55 8.34 7.67 1n7pA1 PHE 851 HA -0.42 0.01 0.72 -0.75 4.62 4.17 1n7pA1 PHE 851 HB2 -1.10 0.07 -0.03 -0.04 3.15 2.06 1n7pA1 PHE 851 HB3 -0.78 0.03 -0.22 -0.04 3.06 2.05 1n7pA1 PHE 851 HD2 -0.56 0.03 -0.41 -0.04 7.28 6.30 1n7pA1 PHE 851 HE2 -1.55 0.02 -0.23 -0.04 7.38 5.58 1n7pA1 PHE 851 HZ -1.15 0.00 -0.21 -0.04 7.32 5.92 1n7pA1 GLN 852 H -0.36 0.63 0.28 -0.55 8.47 8.47 1n7pA1 GLN 852 HA -0.24 0.36 1.06 -0.75 4.36 4.79 1n7pA1 GLN 852 HB2 -0.20 -0.02 0.00 -0.04 2.15 1.89 1n7pA1 GLN 852 HB3 -0.15 0.07 -0.13 -0.04 2.02 1.77 1n7pA1 GLN 852 HG2 -0.17 0.01 -0.25 -0.04 2.40 1.94 1n7pA1 GLN 852 HG3 -0.19 -0.14 -0.39 -0.04 2.39 1.62 1n7pA1 GLN 852 HE21 -0.08 0.02 -0.14 -0.04 6.97 6.72 1n7pA1 GLN 852 HE22 -0.11 -0.02 -0.19 -0.04 7.69 7.32 1n7pA1 VAL 853 H -0.15 0.53 0.27 -0.55 8.24 8.34 1n7pA1 VAL 853 HA -0.05 0.37 0.93 -0.75 4.13 4.63 1n7pA1 VAL 853 HB -0.73 0.03 0.03 -0.04 2.12 1.41 1n7pA1 VAL 853 HG13 -0.07 -0.02 -0.16 -0.04 0.97 0.68 1n7pA1 VAL 853 HG23 -0.26 -0.01 -0.07 -0.04 0.95 0.57 1n7pA1 LEU 854 H 0.07 0.39 0.20 -0.55 8.37 8.48 1n7pA1 LEU 854 HA -0.01 0.22 0.64 -0.75 4.35 4.45 1n7pA1 LEU 854 HB2 -0.01 0.19 -0.09 -0.04 1.64 1.68 1n7pA1 LEU 854 HB3 -0.02 -0.01 -0.07 -0.04 1.64 1.50 1n7pA1 LEU 854 HG -0.04 -0.01 -0.62 -0.04 1.64 0.93 1n7pA1 LEU 854 HD13 -0.04 -0.01 -0.42 -0.04 0.93 0.42 1n7pA1 LEU 854 HD23 -0.07 -0.01 -0.38 -0.04 0.89 0.39 1n7pA1 LYS 855 H 0.22 0.10 0.08 -0.55 8.42 8.26 1n7pA1 LYS 855 HA 0.07 0.14 0.96 -0.75 4.32 4.74 1n7pA1 LYS 855 HB2 -0.09 -0.11 -0.03 -0.04 1.87 1.60 1n7pA1 LYS 855 HB3 0.06 0.15 -0.15 -0.04 1.79 1.81 1n7pA1 LYS 855 HG2 0.00 0.01 -0.05 -0.04 1.46 1.39 1n7pA1 LYS 855 HG3 -0.05 0.20 -0.19 -0.04 1.46 1.37 1n7pA1 LYS 855 HD2 -0.01 -0.03 -0.07 -0.04 1.69 1.54 1n7pA1 LYS 855 HD3 -0.11 -0.05 -0.18 -0.04 1.68 1.30 1n7pA1 LYS 855 HE2 -0.22 -0.05 -0.18 -0.04 2.99 2.51 1n7pA1 LYS 855 HE3 0.10 0.11 -0.09 -0.04 2.99 3.07 1n7pA1 ARG 856 H 0.09 0.01 -0.11 -0.55 8.46 7.90 1n7pA1 ARG 856 HA 0.16 0.11 0.33 -0.75 4.34 4.19 1n7pA1 ARG 856 HB2 -0.00 -0.13 -0.32 -0.04 1.90 1.41 1n7pA1 ARG 856 HB3 0.04 -0.07 -0.02 -0.04 1.80 1.70 1n7pA1 ARG 856 HG2 0.00 -0.07 -0.23 -0.04 1.67 1.33 1n7pA1 ARG 856 HG3 -0.33 0.11 -0.03 -0.04 1.67 1.38 1n7pA1 ARG 856 HD2 -0.23 0.21 -0.08 -0.04 3.22 3.08 1n7pA1 ARG 856 HD3 -0.12 -0.07 -0.06 -0.04 3.22 2.93 1n7pA1 GLY 857 H 0.32 0.60 0.42 -0.55 8.43 9.24 1n7pA1 GLY 857 HA2 0.08 -0.06 0.43 -0.51 4.01 3.95 1n7pA1 GLY 857 HA3 0.05 0.13 0.65 -0.51 4.01 4.33 1n7pA1 VAL 858 H -0.40 0.52 0.33 -0.55 8.24 8.14 1n7pA1 VAL 858 HA 0.16 0.23 1.03 -0.75 4.13 4.80 1n7pA1 VAL 858 HB -0.09 -0.02 0.07 -0.04 2.12 2.03 1n7pA1 VAL 858 HG13 -0.00 0.03 -0.15 -0.04 0.97 0.81 1n7pA1 VAL 858 HG23 -0.23 0.00 -0.19 -0.04 0.95 0.50 1n7pA1 TYR 859 H 0.36 0.70 0.46 -0.55 8.29 9.26 1n7pA1 TYR 859 HA 0.14 0.36 1.22 -0.75 4.56 5.52 1n7pA1 TYR 859 HB2 0.21 -0.07 0.03 -0.04 3.06 3.18 1n7pA1 TYR 859 HB3 0.17 -0.02 -0.11 -0.04 2.98 2.98 1n7pA1 TYR 859 HD2 0.19 0.05 -0.18 -0.04 7.15 7.17 1n7pA1 TYR 859 HE2 0.15 0.11 -0.17 -0.04 6.85 6.89 1n7pA1 THR 860 H 0.18 0.62 0.33 -0.55 8.28 8.85 1n7pA1 THR 860 HA 0.26 0.28 0.80 -0.75 4.39 4.97 1n7pA1 THR 860 HB 0.10 -0.05 0.03 -0.04 4.32 4.36 1n7pA1 THR 860 HG23 0.14 -0.00 -0.18 -0.04 1.22 1.13 1n7pA1 ILE 861 H 0.31 0.65 0.30 -0.55 8.25 8.97 1n7pA1 ILE 861 HA 0.09 0.31 1.06 -0.75 4.18 4.89 1n7pA1 ILE 861 HB 0.24 -0.04 0.01 -0.04 1.89 2.05 1n7pA1 ILE 861 HG12 -0.11 0.01 -0.12 -0.04 1.49 1.23 1n7pA1 ILE 861 HG13 0.18 -0.11 -0.53 -0.04 1.21 0.71 1n7pA1 ILE 861 HG23 -0.21 0.00 -0.25 -0.04 0.93 0.43 1n7pA1 ILE 861 HD13 -0.08 -0.00 -0.21 -0.04 0.88 0.55 1n7pA1 ARG 862 H 0.12 0.63 0.36 -0.55 8.46 9.02 1n7pA1 ARG 862 HA 0.31 0.34 1.09 -0.75 4.34 5.32 1n7pA1 ARG 862 HB2 0.11 -0.07 -0.07 -0.04 1.90 1.83 1n7pA1 ARG 862 HB3 0.08 -0.11 0.08 -0.04 1.80 1.81 1n7pA1 ARG 862 HG2 0.08 0.12 -0.32 -0.04 1.67 1.50 1n7pA1 ARG 862 HG3 0.07 0.10 -0.08 -0.04 1.67 1.73 1n7pA1 ARG 862 HD2 0.04 -0.09 -0.11 -0.04 3.22 3.01 1n7pA1 ARG 862 HD3 0.03 0.04 -0.10 -0.04 3.22 3.14 1n7pA1 LYS 863 H 0.32 0.68 0.30 -0.55 8.42 9.17 1n7pA1 LYS 863 HA -0.20 0.23 1.01 -0.75 4.32 4.61 1n7pA1 LYS 863 HB2 0.34 -0.08 -0.02 -0.04 1.87 2.07 1n7pA1 LYS 863 HB3 0.30 0.00 0.17 -0.04 1.79 2.22 1n7pA1 LYS 863 HG2 -0.04 -0.04 -0.20 -0.04 1.46 1.14 1n7pA1 LYS 863 HG3 -0.52 0.08 -0.17 -0.04 1.46 0.81 1n7pA1 LYS 863 HD2 0.27 -0.07 -0.09 -0.04 1.69 1.76 1n7pA1 LYS 863 HD3 0.28 -0.04 -0.05 -0.04 1.68 1.84 1n7pA1 LYS 863 HE2 0.09 -0.07 -0.06 -0.04 2.99 2.90 1n7pA1 LYS 863 HE3 0.16 -0.06 -0.04 -0.04 2.99 3.01 1n7pA1 GLU 864 H -0.11 0.68 0.12 -0.55 8.60 8.74 1n7pA1 GLU 864 HA -0.01 0.14 0.74 -0.75 4.29 4.42 1n7pA1 GLU 864 HB2 -0.02 -0.03 0.07 -0.04 2.09 2.07 1n7pA1 GLU 864 HB3 -0.01 -0.04 0.03 -0.04 1.99 1.93 1n7pA1 GLU 864 HG2 0.00 0.04 0.02 -0.04 2.34 2.37 1n7pA1 GLU 864 HG3 0.01 0.04 -0.30 -0.04 2.34 2.06 1n7pA1 GLY 865 H -0.01 0.19 0.03 -0.55 8.43 8.10 1n7pA1 GLY 865 HA2 -0.00 0.06 0.33 -0.51 4.01 3.89 1n7pA1 GLY 865 HA3 -0.01 0.02 0.60 -0.51 4.01 4.10 1n7pA1 ASP 866 H -0.01 0.13 0.21 -0.55 8.40 8.18 1n7pA1 ASP 866 HA -0.01 0.14 0.60 -0.75 4.63 4.61 1n7pA1 ASP 866 HB2 0.02 0.01 0.03 -0.04 2.71 2.74 1n7pA1 ASP 866 HB3 0.04 -0.02 0.14 -0.04 2.70 2.83 1n7pA1 GLU 867 H -0.08 0.37 -0.36 -0.55 8.60 7.98 1n7pA1 GLU 867 HA 0.02 0.08 0.54 -0.75 4.29 4.18 1n7pA1 GLU 867 HB2 -0.03 0.28 0.17 -0.04 2.09 2.46 1n7pA1 GLU 867 HB3 -0.01 0.01 -0.04 -0.04 1.99 1.90 1n7pA1 GLU 867 HG2 0.01 -0.11 -0.05 -0.04 2.34 2.15 1n7pA1 GLU 867 HG3 0.00 0.01 0.01 -0.04 2.34 2.33 1n7pA1 TYR 868 H 0.13 0.16 0.17 -0.55 8.29 8.20 1n7pA1 TYR 868 HA -0.02 0.38 1.10 -0.75 4.56 5.26 1n7pA1 TYR 868 HB2 -0.22 -0.08 0.06 -0.04 3.06 2.77 1n7pA1 TYR 868 HB3 -0.43 0.03 -0.13 -0.04 2.98 2.42 1n7pA1 TYR 868 HD2 0.02 0.00 -0.19 -0.04 7.15 6.94 1n7pA1 TYR 868 HE2 0.07 -0.01 -0.14 -0.04 6.85 6.73 1n7pA1 LYS 869 H 0.03 0.66 0.30 -0.55 8.42 8.85 1n7pA1 LYS 869 HA -0.04 0.10 0.84 -0.75 4.32 4.46 1n7pA1 LYS 869 HB2 0.02 0.02 0.17 -0.04 1.87 2.04 1n7pA1 LYS 869 HB3 0.01 0.04 -0.02 -0.04 1.79 1.78 1n7pA1 LYS 869 HG2 -0.00 0.02 0.06 -0.04 1.46 1.49 1n7pA1 LYS 869 HG3 0.00 -0.02 -0.05 -0.04 1.46 1.35 1n7pA1 LYS 869 HD2 0.01 -0.01 -0.03 -0.04 1.69 1.62 1n7pA1 LYS 869 HD3 0.02 -0.01 -0.03 -0.04 1.68 1.61 1n7pA1 LYS 869 HE2 0.01 0.05 0.01 -0.04 2.99 3.02 1n7pA1 LYS 869 HE3 0.00 -0.02 0.02 -0.04 2.99 2.95 1n7pA1 ILE 870 H -0.08 0.22 0.21 -0.55 8.25 8.04 1n7pA1 ILE 870 HA -0.08 0.18 0.92 -0.75 4.18 4.45 1n7pA1 ILE 870 HB -0.16 -0.03 0.10 -0.04 1.89 1.76 1n7pA1 ILE 870 HG12 -0.94 0.02 -0.19 -0.04 1.49 0.33 1n7pA1 ILE 870 HG13 -0.57 -0.06 -0.65 -0.04 1.21 -0.11 1n7pA1 ILE 870 HG23 -0.00 -0.01 -0.21 -0.04 0.93 0.67 1n7pA1 ILE 870 HD13 -0.84 -0.00 -0.08 -0.04 0.88 -0.08 1n7pA1 ALA 871 H 0.07 0.58 0.28 -0.55 8.40 8.78 1n7pA1 ALA 871 HA 0.04 0.12 0.77 -0.75 4.34 4.51 1n7pA1 ALA 871 HB3 0.03 0.01 0.00 -0.04 1.41 1.41 1n7pA1 TYR 872 H 0.10 0.20 0.14 -0.55 8.29 8.18 1n7pA1 TYR 872 HA -0.23 0.35 1.08 -0.75 4.56 5.00 1n7pA1 TYR 872 HB2 -0.23 -0.01 -0.10 -0.04 3.06 2.67 1n7pA1 TYR 872 HB3 -0.09 -0.05 0.05 -0.04 2.98 2.85 1n7pA1 TYR 872 HD2 -0.87 -0.09 -0.21 -0.04 7.15 5.93 1n7pA1 TYR 872 HE2 -0.18 0.09 -0.37 -0.04 6.85 6.35 1n7pA1 TYR 873 H -0.72 0.63 0.34 -0.55 8.29 7.98 1n7pA1 TYR 873 HA -0.46 0.17 0.74 -0.75 4.56 4.25 1n7pA1 TYR 873 HB2 -0.22 0.01 -0.19 -0.04 3.06 2.62 1n7pA1 TYR 873 HB3 -0.30 -0.05 -0.08 -0.04 2.98 2.52 1n7pA1 TYR 873 HD2 -0.17 -0.04 -0.31 -0.04 7.15 6.59 1n7pA1 TYR 873 HE2 -0.09 0.01 -0.13 -0.04 6.85 6.61 1n7pA1 ASN 874 H -0.57 0.88 0.27 -0.55 8.53 8.57 1n7pA1 ASN 874 HA -0.35 0.15 0.86 -0.75 4.76 4.66 1n7pA1 ASN 874 HB2 0.01 0.09 0.07 -0.04 2.88 3.01 1n7pA1 ASN 874 HB3 -0.17 0.03 0.26 -0.04 2.79 2.87 1n7pA1 ASN 874 HD21 0.03 -0.02 -0.01 -0.04 7.03 7.00 1n7pA1 ASN 874 HD22 0.08 0.08 -0.00 -0.04 7.74 7.85 1n7pA1 PRO 875 HA -0.75 0.09 0.40 -0.51 4.44 3.68 1n7pA1 PRO 875 HB2 -0.27 -0.03 -0.03 -0.04 2.28 1.92 1n7pA1 PRO 875 HB3 -0.18 0.12 -0.33 -0.04 2.02 1.59 1n7pA1 PRO 875 HG2 -1.11 -0.01 -0.10 -0.04 2.03 0.76 1n7pA1 PRO 875 HG3 -0.49 0.06 -0.18 -0.04 2.03 1.38 1n7pA1 PRO 875 HD2 -0.28 0.07 0.19 -0.04 3.68 3.62 1n7pA1 PRO 875 HD3 -0.47 0.38 0.15 -0.04 3.65 3.66 1n7pA1 GLU 876 H -0.08 0.04 -0.27 -0.55 8.60 7.74 1n7pA1 GLU 876 HA -0.00 0.21 0.50 -0.75 4.29 4.24 1n7pA1 GLU 876 HB2 0.04 -0.04 0.03 -0.04 2.09 2.09 1n7pA1 GLU 876 HB3 0.02 0.05 -0.07 -0.04 1.99 1.96 1n7pA1 GLU 876 HG2 0.09 -0.08 -0.16 -0.04 2.34 2.15 1n7pA1 GLU 876 HG3 0.25 -0.05 -0.21 -0.04 2.34 2.30 1n7pA1 THR 877 H -0.09 0.03 -0.09 -0.55 8.28 7.59 1n7pA1 THR 877 HA -0.02 0.20 0.79 -0.75 4.39 4.61 1n7pA1 THR 877 HB -0.01 0.03 0.08 -0.04 4.32 4.39 1n7pA1 THR 877 HG23 -0.00 -0.01 -0.03 -0.04 1.22 1.14 1n7pA1 GLN 878 H -0.21 0.12 -0.37 -0.55 8.47 7.46 1n7pA1 GLN 878 HA -0.22 0.01 0.32 -0.75 4.36 3.72 1n7pA1 GLN 878 HB2 0.05 0.14 0.14 -0.04 2.15 2.44 1n7pA1 GLN 878 HB3 0.14 -0.10 0.19 -0.04 2.02 2.20 1n7pA1 GLN 878 HG2 0.03 0.11 0.03 -0.04 2.40 2.53 1n7pA1 GLN 878 HG3 0.00 0.04 -0.35 -0.04 2.39 2.04 1n7pA1 GLN 878 HE21 0.03 -0.04 -0.01 -0.04 6.97 6.91 1n7pA1 GLN 878 HE22 0.08 0.06 0.01 -0.04 7.69 7.79 1n7pA1 GLU 879 H -0.22 0.29 0.09 -0.55 8.60 8.20 1n7pA1 GLU 879 HA 0.08 0.12 0.79 -0.75 4.29 4.54 1n7pA1 GLU 879 HB2 0.00 -0.10 -0.04 -0.04 2.09 1.91 1n7pA1 GLU 879 HB3 0.05 0.10 0.06 -0.04 1.99 2.16 1n7pA1 GLU 879 HG2 0.04 -0.02 0.04 -0.04 2.34 2.36 1n7pA1 GLU 879 HG3 0.02 0.25 -0.46 -0.04 2.34 2.11 1n7pA1 SER 880 H 0.10 0.10 0.12 -0.55 8.46 8.23 1n7pA1 SER 880 HA 0.11 0.15 0.70 -0.75 4.49 4.69 1n7pA1 SER 880 HB2 0.10 0.04 0.22 -0.04 3.95 4.27 1n7pA1 SER 880 HB3 0.09 -0.04 0.15 -0.04 3.93 4.10 1n7pA1 ALA 881 H 0.20 0.33 0.16 -0.55 8.40 8.54 1n7pA1 ALA 881 HA 0.07 0.12 0.45 -0.75 4.34 4.22 1n7pA1 ALA 881 HB3 -0.02 0.03 -0.12 -0.04 1.41 1.27 1n7pA1 PRO 882 HA 0.02 0.07 0.60 -0.51 4.44 4.62 1n7pA1 PRO 882 HB2 0.00 -0.08 0.02 -0.04 2.28 2.18 1n7pA1 PRO 882 HB3 0.01 0.05 0.11 -0.04 2.02 2.15 1n7pA1 PRO 882 HG2 0.01 0.07 0.08 -0.04 2.03 2.15 1n7pA1 PRO 882 HG3 0.02 0.08 0.08 -0.04 2.03 2.17 1n7pA1 PRO 882 HD2 0.01 0.13 0.19 -0.04 3.68 3.96 1n7pA1 PRO 882 HD3 0.03 0.18 0.14 -0.04 3.65 3.95 1n7pA1 ASP 883 H 0.02 0.16 0.21 -0.55 8.40 8.24 1n7pA1 ASP 883 HA 0.02 0.08 0.30 -0.75 4.63 4.28 1n7pA1 ASP 883 HB2 0.03 -0.04 0.16 -0.04 2.71 2.82 1n7pA1 ASP 883 HB3 0.03 0.05 0.05 -0.04 2.70 2.79 1n7pA1 GLN 884 H 0.03 0.05 -0.15 -0.55 8.47 7.85 1n7pA1 GLN 884 HA 0.05 0.25 0.43 -0.75 4.36 4.34 1n7pA1 GLN 884 HB2 0.02 0.04 0.11 -0.04 2.15 2.28 1n7pA1 GLN 884 HB3 0.03 -0.05 0.10 -0.04 2.02 2.06 1n7pA1 GLN 884 HG2 0.00 0.09 -0.34 -0.04 2.40 2.11 1n7pA1 GLN 884 HG3 0.01 0.01 -0.05 -0.04 2.39 2.32 1n7pA1 GLN 884 HE21 0.01 -0.01 -0.01 -0.04 6.97 6.92 1n7pA1 GLN 884 HE22 0.00 0.05 -0.06 -0.04 7.69 7.64 1n7pA1 GLU 885 H -0.01 0.36 -0.35 -0.55 8.60 8.06 1n7pA1 GLU 885 HA -0.02 0.08 0.49 -0.75 4.29 4.08 1n7pA1 GLU 885 HB2 -0.06 0.17 0.01 -0.04 2.09 2.17 1n7pA1 GLU 885 HB3 -0.06 -0.01 -0.07 -0.04 1.99 1.81 1n7pA1 GLU 885 HG2 -0.01 0.01 0.00 -0.04 2.34 2.30 1n7pA1 GLU 885 HG3 -0.01 -0.09 -0.01 -0.04 2.34 2.19 1n7pA1 VAL 886 H -0.02 0.35 -0.21 -0.55 8.24 7.81 1n7pA1 VAL 886 HA -0.03 0.16 0.86 -0.75 4.13 4.36 1n7pA1 VAL 886 HB -0.16 -0.06 -0.00 -0.04 2.12 1.85 1n7pA1 VAL 886 HG13 -0.79 0.00 -0.29 -0.04 0.97 -0.15 1n7pA1 VAL 886 HG23 -0.06 0.01 -0.17 -0.04 0.95 0.69 1n7pA1 PHE 887 H 0.11 0.44 0.08 -0.55 8.34 8.42 1n7pA1 PHE 887 HA -0.04 0.30 0.97 -0.75 4.62 5.09 1n7pA1 PHE 887 HB2 -0.00 -0.03 -0.20 -0.04 3.15 2.88 1n7pA1 PHE 887 HB3 -0.04 0.03 0.03 -0.04 3.06 3.03 1n7pA1 PHE 887 HD2 -0.20 0.00 -0.22 -0.04 7.28 6.82 1n7pA1 PHE 887 HE2 -0.99 -0.02 -0.16 -0.04 7.38 6.16 1n7pA1 PHE 887 HZ -1.53 0.01 -0.16 -0.04 7.32 5.60 1n7pA1 LYS 888 H -0.65 0.61 0.22 -0.55 8.42 8.05 1n7pA1 LYS 888 HA -0.22 0.10 0.71 -0.75 4.32 4.16 1n7pA1 LYS 888 HB2 -0.12 0.12 -0.13 -0.04 1.87 1.70 1n7pA1 LYS 888 HB3 -0.21 -0.05 -0.01 -0.04 1.79 1.48 1n7pA1 LYS 888 HG2 -0.16 -0.08 -0.36 -0.04 1.46 0.82 1n7pA1 LYS 888 HG3 -0.12 0.04 -0.05 -0.04 1.46 1.29 1n7pA1 LYS 888 HD2 -0.06 0.05 -0.05 -0.04 1.69 1.58 1n7pA1 LYS 888 HD3 -0.09 -0.03 -0.11 -0.04 1.68 1.42 1n7pA1 LYS 888 HE2 -0.05 -0.03 -0.06 -0.04 2.99 2.81 1n7pA1 LYS 888 HE3 -0.07 0.02 -0.07 -0.04 2.99 2.83 1n7pA1 LYS 889 H -0.20 0.17 0.09 -0.55 8.42 7.92 1n7pA1 LYS 889 HA -0.37 0.11 0.61 -0.75 4.32 3.91 1n7pA1 LYS 889 HB2 0.10 0.05 0.10 -0.04 1.87 2.08 1n7pA1 LYS 889 HB3 0.02 -0.01 0.14 -0.04 1.79 1.90 1n7pA1 LYS 889 HG2 0.06 -0.18 -0.08 -0.04 1.46 1.23 1n7pA1 LYS 889 HG3 0.25 0.10 0.04 -0.04 1.46 1.82 1n7pA1 LYS 889 HD2 0.24 0.20 0.05 -0.04 1.69 2.14 1n7pA1 LYS 889 HD3 0.14 -0.02 0.03 -0.04 1.68 1.78 1n7pA1 LYS 889 HE2 0.10 -0.05 -0.03 -0.04 2.99 2.97 1n7pA1 LYS 889 HE3 0.09 0.06 0.01 -0.04 2.99 3.11 1n7pA1 LEU 890 H -0.12 0.66 0.22 -0.55 8.37 8.58 1n7pA1 LEU 890 HA -0.08 0.14 0.45 -0.75 4.35 4.11