============================================================================= 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. PHE 22 1.000 56.172 56.699 48.240 -99.200 -91.000 PHE 24 1.000 60.495 48.120 43.255 -99.200 -91.000 PHE 31 1.000 48.917 49.187 37.819 -99.200 -91.000 TYR 32 0.840 51.395 54.298 35.830 -99.200 -91.000 PHE 35 1.000 45.684 51.334 34.298 -99.200 -91.000 TRP 40 1.040 43.762 53.481 30.380 -99.200 -91.000 TRP6 40 1.020 42.221 55.174 29.771 -99.200 -91.000 TRP 46 1.040 38.624 52.341 27.254 -99.200 -91.000 TRP6 46 1.020 38.375 52.823 29.555 -99.200 -91.000 PHE 49 1.000 35.740 47.462 31.204 -99.200 -91.000 TYR 64 0.840 23.295 61.820 22.910 -99.200 -91.000 TYR 83 0.840 52.381 60.226 33.958 -99.200 -91.000 TRP 90 1.040 61.784 61.375 36.986 -99.200 -91.000 TRP6 90 1.020 62.517 63.591 36.622 -99.200 -91.000 HIS 101 0.900 64.545 70.055 27.408 -99.200 -91.000 PHE 110 1.000 50.569 64.362 37.272 -99.200 -91.000 HIS 116 0.900 41.391 64.415 27.453 -99.200 -91.000 PHE 117 1.000 42.367 60.247 32.932 -99.200 -91.000 PHE 124 1.000 34.367 58.926 30.258 -99.200 -91.000 TYR 129 0.840 21.555 57.140 27.774 -99.200 -91.000 PHE 133 1.000 28.013 56.574 29.113 -99.200 -91.000 TYR 137 0.840 32.187 58.111 37.314 -99.200 -91.000 HIS 144 0.900 41.050 62.625 37.483 -99.200 -91.000 PHE 146 1.000 48.236 53.437 40.156 -99.200 -91.000 TYR 154 0.840 57.961 59.241 40.324 -99.200 -91.000 TRP 158 1.040 58.087 64.258 37.757 -99.200 -91.000 TRP6 158 1.020 55.818 63.584 37.856 -99.200 -91.000 TYR 160 0.840 53.825 69.547 38.773 -99.200 -91.000 PHE 168 1.000 48.731 68.462 40.146 -99.200 -91.000 TYR 169 0.840 46.761 64.822 50.267 -99.200 -91.000 TYR 179 0.840 36.484 60.642 40.087 -99.200 -91.000 HIS 182 0.900 28.802 58.441 39.106 -99.200 -91.000 TRP 186 1.040 24.593 57.136 39.445 -99.200 -91.000 TRP6 186 1.020 22.342 57.560 38.875 -99.200 -91.000 TYR 187 0.840 26.146 47.370 43.347 -99.200 -91.000 TYR 199 0.840 16.199 30.052 38.391 -99.200 -91.000 TRP 202 1.040 18.459 35.690 43.375 -99.200 -91.000 TRP6 202 1.020 20.318 34.295 42.917 -99.200 -91.000 PHE 205 1.000 19.175 41.355 43.265 -99.200 -91.000 TYR 208 0.840 23.761 45.770 38.359 -99.200 -91.000 PHE 223 1.000 38.541 54.500 43.107 -99.200 -91.000 TYR 226 0.840 44.499 53.872 43.727 -99.200 -91.000 TYR 231 0.840 46.534 53.895 53.797 -99.200 -91.000 TYR 257 0.840 7.254 23.096 36.870 -99.200 -91.000 PHE 261 1.000 14.931 38.802 43.669 -99.200 -91.000 TYR 267 0.840 14.681 30.907 52.990 -99.200 -91.000 HIS 272 0.900 29.783 34.839 56.107 -99.200 -91.000 PHE 274 1.000 36.899 35.205 54.603 -99.200 -91.000 TYR 276 0.840 39.412 30.934 55.870 -99.200 -91.000 HIS 278 0.900 36.854 21.304 58.350 -99.200 -91.000 PHE 282 1.000 28.841 17.068 46.978 -99.200 -91.000 HIS 283 0.900 21.930 14.101 52.225 -99.200 -91.000 PHE 286 1.000 16.014 5.962 39.155 -99.200 -91.000 TYR 290 0.840 6.384 7.916 29.598 -99.200 -91.000 TYR 291 0.840 9.369 5.764 26.284 -99.200 -91.000 PHE 296 1.000 18.724 12.888 35.495 -99.200 -91.000 TYR 298 0.840 17.732 14.568 41.406 -99.200 -91.000 TRP 299 1.040 24.318 17.971 45.505 -99.200 -91.000 TRP6 299 1.020 25.715 19.825 45.048 -99.200 -91.000 TYR 303 0.840 23.078 17.842 56.811 -99.200 -91.000 PHE 320 1.000 19.416 17.783 53.563 -99.200 -91.000 TYR 321 0.840 21.734 25.115 53.336 -99.200 -91.000 PHE 334 1.000 36.221 20.243 49.720 -99.200 -91.000 TYR 340 0.840 42.851 25.186 41.414 -99.200 -91.000 TRP 351 1.040 9.782 11.611 32.795 -99.200 -91.000 TRP6 351 1.020 8.430 10.382 34.300 -99.200 -91.000 TYR 356 0.840 10.390 14.980 35.929 -99.200 -91.000 PHE 364 1.000 33.301 20.270 44.546 -99.200 -91.000 TYR 367 0.840 48.712 25.252 45.331 -99.200 -91.000 TYR 379 0.840 27.371 14.231 43.669 -99.200 -91.000 TRP 390 1.040 27.817 26.535 36.639 -99.200 -91.000 TRP6 390 1.020 29.471 26.534 38.326 -99.200 -91.000 TYR 409 0.840 43.398 30.160 43.742 -99.200 -91.000 HIS 411 0.900 36.825 35.718 42.954 -99.200 -91.000 TYR 415 0.840 27.237 28.111 53.208 -99.200 -91.000 PHE 419 1.000 18.859 28.545 47.335 -99.200 -91.000 TRP 433 1.040 32.483 30.574 43.700 -99.200 -91.000 TRP6 433 1.020 34.075 28.954 43.041 -99.200 -91.000 HIS 435 0.900 40.446 38.857 45.389 -99.200 -91.000 PHE 440 1.000 43.429 29.815 58.732 -99.200 -91.000 PHE 441 1.000 48.549 30.462 58.433 -99.200 -91.000 TYR 458 0.840 39.080 34.129 68.318 -99.200 -91.000 PHE 472 1.000 32.199 53.519 51.531 -99.200 -91.000 TYR 490 0.840 45.932 33.460 66.774 -99.200 -91.000 TYR 497 0.840 62.687 42.212 64.373 -99.200 -91.000 TYR 501 0.840 54.059 45.815 64.336 -99.200 -91.000 HIS 506 0.900 37.834 53.373 57.007 -99.200 -91.000 TYR 507 0.840 36.100 56.106 64.393 -99.200 -91.000 PHE 515 1.000 36.765 52.535 68.462 -99.200 -91.000 PHE 524 1.000 47.691 46.828 72.693 -99.200 -91.000 TYR 527 0.840 44.343 59.159 71.434 -99.200 -91.000 TYR 528 0.840 40.260 60.384 76.049 -99.200 -91.000 PHE 529 1.000 40.322 56.425 68.499 -99.200 -91.000 TYR 541 0.840 35.965 58.019 50.853 -99.200 -91.000 PHE 544 1.000 32.851 53.510 57.415 -99.200 -91.000 PHE 549 1.000 43.591 52.820 69.307 -99.200 -91.000 PHE 553 1.000 50.198 48.143 69.149 -99.200 -91.000 TYR 574 0.840 27.205 51.631 61.669 -99.200 -91.000 PHE 580 1.000 47.512 45.449 63.885 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1dlcA1 THR 61 HA -0.05 -0.10 0.22 -0.75 4.39 3.71 1dlcA1 THR 61 HB -0.03 0.01 0.07 -0.04 4.32 4.33 1dlcA1 THR 61 HG23 -0.02 0.02 -0.06 -0.04 1.22 1.11 1dlcA1 THR 62 H -0.05 0.09 0.12 -0.55 8.28 7.89 1dlcA1 THR 62 HA -0.07 -0.06 0.36 -0.75 4.39 3.86 1dlcA1 THR 62 HB -0.06 -0.08 0.20 -0.04 4.32 4.34 1dlcA1 THR 62 HG23 -0.04 0.00 -0.09 -0.04 1.22 1.06 1dlcA1 LYS 63 H -0.07 0.11 -0.56 -0.55 8.42 7.35 1dlcA1 LYS 63 HA -0.08 0.20 0.30 -0.75 4.32 3.98 1dlcA1 LYS 63 HB2 -0.07 -0.08 -0.05 -0.04 1.87 1.63 1dlcA1 LYS 63 HB3 -0.08 0.15 0.09 -0.04 1.79 1.90 1dlcA1 LYS 63 HG2 -0.08 -0.01 0.06 -0.04 1.46 1.39 1dlcA1 LYS 63 HG3 -0.08 0.28 0.00 -0.04 1.46 1.62 1dlcA1 LYS 63 HD2 -0.06 -0.27 -0.02 -0.04 1.69 1.29 1dlcA1 LYS 63 HD3 -0.06 -0.02 -0.00 -0.04 1.68 1.55 1dlcA1 LYS 63 HE2 -0.06 -0.01 0.02 -0.04 2.99 2.90 1dlcA1 LYS 63 HE3 -0.06 0.37 0.04 -0.04 2.99 3.30 1dlcA1 ASP 64 H -0.09 -0.00 -0.38 -0.55 8.40 7.38 1dlcA1 ASP 64 HA -0.10 0.10 0.37 -0.75 4.63 4.25 1dlcA1 ASP 64 HB2 -0.10 0.01 0.07 -0.04 2.71 2.64 1dlcA1 ASP 64 HB3 -0.14 -0.07 0.07 -0.04 2.70 2.52 1dlcA1 VAL 65 H -0.17 0.16 -0.05 -0.55 8.24 7.63 1dlcA1 VAL 65 HA -0.33 0.06 0.42 -0.75 4.13 3.52 1dlcA1 VAL 65 HB -0.21 0.02 0.03 -0.04 2.12 1.92 1dlcA1 VAL 65 HG13 -0.61 -0.00 -0.11 -0.04 0.97 0.21 1dlcA1 VAL 65 HG23 -0.07 0.02 0.03 -0.04 0.95 0.89 1dlcA1 ILE 66 H -0.07 0.34 -0.32 -0.55 8.25 7.65 1dlcA1 ILE 66 HA -0.00 0.04 0.46 -0.75 4.18 3.92 1dlcA1 ILE 66 HB -0.06 0.08 0.11 -0.04 1.89 1.98 1dlcA1 ILE 66 HG12 -0.05 0.14 -0.01 -0.04 1.49 1.53 1dlcA1 ILE 66 HG13 -0.06 0.08 -0.01 -0.04 1.21 1.17 1dlcA1 ILE 66 HG23 -0.05 0.03 -0.02 -0.04 0.93 0.85 1dlcA1 ILE 66 HD13 -0.02 -0.03 -0.01 -0.04 0.88 0.78 1dlcA1 GLN 67 H -0.06 0.59 -0.11 -0.55 8.47 8.34 1dlcA1 GLN 67 HA -0.02 0.08 0.33 -0.75 4.36 3.99 1dlcA1 GLN 67 HB2 -0.06 0.18 0.18 -0.04 2.15 2.41 1dlcA1 GLN 67 HB3 -0.05 -0.03 0.01 -0.04 2.02 1.90 1dlcA1 GLN 67 HG2 -0.03 0.02 -0.02 -0.04 2.40 2.33 1dlcA1 GLN 67 HG3 -0.04 -0.09 -0.03 -0.04 2.39 2.19 1dlcA1 GLN 67 HE21 -0.02 -0.15 -0.18 -0.04 6.97 6.57 1dlcA1 GLN 67 HE22 -0.02 -0.07 -0.10 -0.04 7.69 7.45 1dlcA1 LYS 68 H -0.08 0.48 -0.04 -0.55 8.42 8.23 1dlcA1 LYS 68 HA -0.04 0.01 0.40 -0.75 4.32 3.93 1dlcA1 LYS 68 HB2 -0.11 0.04 0.14 -0.04 1.87 1.90 1dlcA1 LYS 68 HB3 -0.08 -0.02 -0.02 -0.04 1.79 1.62 1dlcA1 LYS 68 HG2 -0.13 -0.02 0.02 -0.04 1.46 1.30 1dlcA1 LYS 68 HG3 -0.16 0.20 0.07 -0.04 1.46 1.54 1dlcA1 LYS 68 HD2 -0.45 -0.10 -0.05 -0.04 1.69 1.05 1dlcA1 LYS 68 HD3 -0.33 0.11 -0.03 -0.04 1.68 1.39 1dlcA1 LYS 68 HE2 -0.22 -0.11 -0.08 -0.04 2.99 2.53 1dlcA1 LYS 68 HE3 -0.29 -0.06 0.00 -0.04 2.99 2.60 1dlcA1 GLY 69 H 0.04 0.54 -0.27 -0.55 8.43 8.20 1dlcA1 GLY 69 HA2 0.05 -0.04 0.38 -0.51 4.01 3.90 1dlcA1 GLY 69 HA3 0.05 0.07 0.28 -0.51 4.01 3.90 1dlcA1 ILE 70 H 0.02 0.63 -0.11 -0.55 8.25 8.25 1dlcA1 ILE 70 HA 0.06 0.01 0.41 -0.75 4.18 3.90 1dlcA1 ILE 70 HB 0.02 0.10 0.08 -0.04 1.89 2.05 1dlcA1 ILE 70 HG12 0.13 -0.08 0.01 -0.04 1.49 1.51 1dlcA1 ILE 70 HG13 0.04 0.14 0.06 -0.04 1.21 1.41 1dlcA1 ILE 70 HG23 0.05 -0.00 -0.23 -0.04 0.93 0.71 1dlcA1 ILE 70 HD13 0.08 -0.02 -0.09 -0.04 0.88 0.81 1dlcA1 SER 71 H 0.02 0.72 -0.10 -0.55 8.46 8.54 1dlcA1 SER 71 HA 0.02 0.02 0.48 -0.75 4.49 4.25 1dlcA1 SER 71 HB2 0.01 0.01 0.17 -0.04 3.95 4.10 1dlcA1 SER 71 HB3 0.01 -0.13 0.06 -0.04 3.93 3.83 1dlcA1 VAL 72 H 0.05 0.68 -0.05 -0.55 8.24 8.37 1dlcA1 VAL 72 HA 0.13 -0.04 0.41 -0.75 4.13 3.88 1dlcA1 VAL 72 HB 0.08 0.17 0.17 -0.04 2.12 2.49 1dlcA1 VAL 72 HG13 0.17 -0.02 -0.11 -0.04 0.97 0.97 1dlcA1 VAL 72 HG23 0.13 0.03 0.06 -0.04 0.95 1.13 1dlcA1 VAL 73 H 0.04 0.51 -0.14 -0.55 8.24 8.10 1dlcA1 VAL 73 HA -0.00 -0.01 0.33 -0.75 4.13 3.69 1dlcA1 VAL 73 HB 0.02 0.18 0.15 -0.04 2.12 2.43 1dlcA1 VAL 73 HG13 -0.09 -0.02 -0.14 -0.04 0.97 0.68 1dlcA1 VAL 73 HG23 -0.03 0.02 -0.06 -0.04 0.95 0.84 1dlcA1 GLY 74 H 0.05 0.53 -0.19 -0.55 8.43 8.28 1dlcA1 GLY 74 HA2 0.06 -0.02 0.37 -0.51 4.01 3.91 1dlcA1 GLY 74 HA3 0.04 0.05 0.33 -0.51 4.01 3.92 1dlcA1 ASP 75 H 0.08 0.67 -0.08 -0.55 8.40 8.51 1dlcA1 ASP 75 HA 0.08 0.01 0.46 -0.75 4.63 4.43 1dlcA1 ASP 75 HB2 0.23 0.10 0.17 -0.04 2.71 3.17 1dlcA1 ASP 75 HB3 0.35 -0.09 0.00 -0.04 2.70 2.92 1dlcA1 LEU 76 H 0.05 0.79 -0.02 -0.55 8.37 8.65 1dlcA1 LEU 76 HA -0.45 -0.03 0.35 -0.75 4.35 3.45 1dlcA1 LEU 76 HB2 -0.04 0.13 0.12 -0.04 1.64 1.80 1dlcA1 LEU 76 HB3 -0.08 -0.04 -0.06 -0.04 1.64 1.42 1dlcA1 LEU 76 HG -0.08 0.02 0.02 -0.04 1.64 1.56 1dlcA1 LEU 76 HD13 0.01 -0.02 -0.13 -0.04 0.93 0.75 1dlcA1 LEU 76 HD23 -1.01 -0.02 -0.06 -0.04 0.89 -0.24 1dlcA1 LEU 77 H -0.02 0.46 -0.43 -0.55 8.37 7.84 1dlcA1 LEU 77 HA -0.03 -0.01 0.34 -0.75 4.35 3.90 1dlcA1 LEU 77 HB2 0.01 0.26 0.14 -0.04 1.64 2.01 1dlcA1 LEU 77 HB3 0.01 -0.05 0.07 -0.04 1.64 1.63 1dlcA1 LEU 77 HG -0.04 0.15 0.01 -0.04 1.64 1.73 1dlcA1 LEU 77 HD13 0.03 -0.04 0.00 -0.04 0.93 0.88 1dlcA1 LEU 77 HD23 -0.04 -0.01 -0.05 -0.04 0.89 0.74 1dlcA1 GLY 78 H -0.03 0.50 -0.60 -0.55 8.43 7.76 1dlcA1 GLY 78 HA2 0.01 0.10 0.74 -0.51 4.01 4.35 1dlcA1 GLY 78 HA3 0.01 -0.03 0.31 -0.51 4.01 3.78 1dlcA1 VAL 79 H -0.12 0.42 -0.09 -0.55 8.24 7.90 1dlcA1 VAL 79 HA -0.05 0.12 0.83 -0.75 4.13 4.28 1dlcA1 VAL 79 HB -0.13 -0.03 0.12 -0.04 2.12 2.03 1dlcA1 VAL 79 HG13 -0.08 -0.03 -0.26 -0.04 0.97 0.56 1dlcA1 VAL 79 HG23 -0.75 0.02 -0.04 -0.04 0.95 0.15 1dlcA1 VAL 80 H -0.02 0.16 -0.26 -0.55 8.24 7.57 1dlcA1 VAL 80 HA 0.10 0.09 0.59 -0.75 4.13 4.15 1dlcA1 VAL 80 HB -0.01 0.13 0.07 -0.04 2.12 2.26 1dlcA1 VAL 80 HG13 -0.04 -0.00 -0.07 -0.04 0.97 0.82 1dlcA1 VAL 80 HG23 0.05 -0.03 -0.08 -0.04 0.95 0.85 1dlcA1 GLY 81 H 0.07 0.37 0.19 -0.55 8.43 8.52 1dlcA1 GLY 81 HA2 0.11 0.06 0.33 -0.51 4.01 4.01 1dlcA1 GLY 81 HA3 0.11 0.07 0.68 -0.51 4.01 4.36 1dlcA1 PHE 82 H 0.26 0.44 -0.19 -0.55 8.34 8.30 1dlcA1 PHE 82 HA -0.01 0.08 0.58 -0.75 4.62 4.52 1dlcA1 PHE 82 HB2 0.03 0.12 0.03 -0.04 3.15 3.29 1dlcA1 PHE 82 HB3 0.03 -0.08 -0.24 -0.04 3.06 2.73 1dlcA1 PHE 82 HD2 -0.01 0.07 -0.20 -0.04 7.28 7.09 1dlcA1 PHE 82 HE2 -0.09 -0.06 -0.01 -0.04 7.38 7.19 1dlcA1 PHE 82 HZ -0.16 -0.04 0.06 -0.04 7.32 7.14 1dlcA1 PRO 83 HA 0.12 0.07 0.44 -0.51 4.44 4.57 1dlcA1 PRO 83 HB2 -0.06 -0.10 -0.09 -0.04 2.28 1.98 1dlcA1 PRO 83 HB3 -0.04 0.15 -0.11 -0.04 2.02 1.98 1dlcA1 PRO 83 HG2 -0.15 -0.13 -0.09 -0.04 2.03 1.62 1dlcA1 PRO 83 HG3 -0.19 0.10 0.01 -0.04 2.03 1.91 1dlcA1 PRO 83 HD2 -0.50 -0.04 0.15 -0.04 3.68 3.25 1dlcA1 PRO 83 HD3 -0.19 0.62 0.25 -0.04 3.65 4.29 1dlcA1 PHE 84 H 0.19 0.14 0.15 -0.55 8.34 8.27 1dlcA1 PHE 84 HA 0.13 0.16 0.68 -0.75 4.62 4.84 1dlcA1 PHE 84 HB2 0.08 0.05 0.14 -0.04 3.15 3.38 1dlcA1 PHE 84 HB3 0.08 0.10 0.16 -0.04 3.06 3.36 1dlcA1 PHE 84 HD2 0.08 0.06 -0.01 -0.04 7.28 7.36 1dlcA1 PHE 84 HE2 0.06 0.07 0.03 -0.04 7.38 7.51 1dlcA1 PHE 84 HZ 0.06 0.07 -0.02 -0.04 7.32 7.39 1dlcA1 GLY 85 H 0.32 0.24 0.18 -0.55 8.43 8.62 1dlcA1 GLY 85 HA2 0.21 0.10 0.37 -0.51 4.01 4.18 1dlcA1 GLY 85 HA3 0.29 0.10 0.31 -0.51 4.01 4.20 1dlcA1 GLY 86 H 0.42 0.09 -0.24 -0.55 8.43 8.15 1dlcA1 GLY 86 HA2 0.10 0.10 0.50 -0.51 4.01 4.20 1dlcA1 GLY 86 HA3 0.21 0.05 0.28 -0.51 4.01 4.04 1dlcA1 ALA 87 H -1.64 0.19 -0.08 -0.55 8.40 6.32 1dlcA1 ALA 87 HA -0.26 0.02 0.41 -0.75 4.34 3.76 1dlcA1 ALA 87 HB3 -0.49 0.04 0.11 -0.04 1.41 1.03 1dlcA1 LEU 88 H -0.15 0.43 -0.26 -0.55 8.37 7.85 1dlcA1 LEU 88 HA 0.02 0.07 0.30 -0.75 4.35 3.99 1dlcA1 LEU 88 HB2 0.00 0.05 -0.13 -0.04 1.64 1.52 1dlcA1 LEU 88 HB3 0.16 0.06 0.01 -0.04 1.64 1.83 1dlcA1 LEU 88 HG -0.05 0.07 -0.06 -0.04 1.64 1.56 1dlcA1 LEU 88 HD13 0.42 -0.02 -0.10 -0.04 0.93 1.19 1dlcA1 LEU 88 HD23 -0.18 0.00 0.02 -0.04 0.89 0.68 1dlcA1 VAL 89 H 0.11 0.46 -0.19 -0.55 8.24 8.08 1dlcA1 VAL 89 HA 0.34 0.02 0.40 -0.75 4.13 4.13 1dlcA1 VAL 89 HB 0.11 0.06 0.14 -0.04 2.12 2.40 1dlcA1 VAL 89 HG13 0.10 -0.01 -0.05 -0.04 0.97 0.96 1dlcA1 VAL 89 HG23 0.17 0.07 0.02 -0.04 0.95 1.17 1dlcA1 SER 90 H 0.06 0.56 -0.13 -0.55 8.46 8.41 1dlcA1 SER 90 HA 0.08 -0.04 0.34 -0.75 4.49 4.11 1dlcA1 SER 90 HB2 0.03 0.17 0.18 -0.04 3.95 4.29 1dlcA1 SER 90 HB3 0.05 -0.06 -0.02 -0.04 3.93 3.86 1dlcA1 PHE 91 H 0.18 0.68 -0.14 -0.55 8.34 8.50 1dlcA1 PHE 91 HA -0.00 -0.03 0.38 -0.75 4.62 4.22 1dlcA1 PHE 91 HB2 -0.08 0.04 0.05 -0.04 3.15 3.11 1dlcA1 PHE 91 HB3 -0.11 0.18 0.16 -0.04 3.06 3.25 1dlcA1 PHE 91 HD2 -0.33 0.04 -0.12 -0.04 7.28 6.83 1dlcA1 PHE 91 HE2 -0.82 0.00 -0.09 -0.04 7.38 6.43 1dlcA1 PHE 91 HZ -1.01 -0.00 -0.06 -0.04 7.32 6.20 1dlcA1 TYR 92 H 0.30 0.62 -0.11 -0.55 8.29 8.55 1dlcA1 TYR 92 HA 0.08 -0.05 0.32 -0.75 4.56 4.15 1dlcA1 TYR 92 HB2 0.17 0.16 0.20 -0.04 3.06 3.55 1dlcA1 TYR 92 HB3 0.15 -0.08 -0.01 -0.04 2.98 3.00 1dlcA1 TYR 92 HD2 0.34 -0.04 -0.06 -0.04 7.15 7.35 1dlcA1 TYR 92 HE2 0.36 -0.02 -0.06 -0.04 6.85 7.09 1dlcA1 THR 93 H 0.14 0.51 -0.28 -0.55 8.28 8.10 1dlcA1 THR 93 HA 0.09 0.01 0.46 -0.75 4.39 4.20 1dlcA1 THR 93 HB 0.05 -0.07 0.04 -0.04 4.32 4.29 1dlcA1 THR 93 HG23 0.08 0.06 -0.00 -0.04 1.22 1.32 1dlcA1 ASN 94 H -0.02 0.52 0.01 -0.55 8.53 8.50 1dlcA1 ASN 94 HA -0.01 -0.00 0.43 -0.75 4.76 4.43 1dlcA1 ASN 94 HB2 -0.12 0.18 0.21 -0.04 2.88 3.11 1dlcA1 ASN 94 HB3 -0.05 -0.04 -0.02 -0.04 2.79 2.64 1dlcA1 ASN 94 HD21 0.02 -0.05 -0.02 -0.04 7.03 6.94 1dlcA1 ASN 94 HD22 0.01 0.03 -0.01 -0.04 7.74 7.73 1dlcA1 PHE 95 H -0.18 0.76 -0.04 -0.55 8.34 8.33 1dlcA1 PHE 95 HA -0.19 -0.03 0.34 -0.75 4.62 3.98 1dlcA1 PHE 95 HB2 -1.12 0.08 -0.02 -0.04 3.15 2.05 1dlcA1 PHE 95 HB3 -0.09 0.16 0.11 -0.04 3.06 3.20 1dlcA1 PHE 95 HD2 0.16 0.01 -0.00 -0.04 7.28 7.40 1dlcA1 PHE 95 HE2 0.30 -0.00 -0.03 -0.04 7.38 7.61 1dlcA1 PHE 95 HZ 0.53 0.01 -0.03 -0.04 7.32 7.79 1dlcA1 LEU 96 H 0.14 0.64 -0.20 -0.55 8.37 8.39 1dlcA1 LEU 96 HA 0.10 -0.07 0.35 -0.75 4.35 3.97 1dlcA1 LEU 96 HB2 0.09 0.16 0.16 -0.04 1.64 2.01 1dlcA1 LEU 96 HB3 0.07 -0.02 -0.08 -0.04 1.64 1.57 1dlcA1 LEU 96 HG 0.06 -0.01 -0.01 -0.04 1.64 1.64 1dlcA1 LEU 96 HD13 0.17 0.04 -0.04 -0.04 0.93 1.06 1dlcA1 LEU 96 HD23 0.03 -0.01 -0.04 -0.04 0.89 0.83 1dlcA1 ASN 97 H 0.02 0.44 -0.28 -0.55 8.53 8.17 1dlcA1 ASN 97 HA 0.01 -0.00 0.39 -0.75 4.76 4.40 1dlcA1 ASN 97 HB2 -0.00 0.09 0.17 -0.04 2.88 3.10 1dlcA1 ASN 97 HB3 -0.01 -0.10 0.04 -0.04 2.79 2.69 1dlcA1 ASN 97 HD21 0.02 -0.09 -0.04 -0.04 7.03 6.88 1dlcA1 ASN 97 HD22 0.01 -0.05 -0.05 -0.04 7.74 7.61 1dlcA1 THR 98 H -0.04 0.52 -0.18 -0.55 8.28 8.03 1dlcA1 THR 98 HA -0.08 0.04 0.60 -0.75 4.39 4.19 1dlcA1 THR 98 HB -0.04 -0.05 0.18 -0.04 4.32 4.38 1dlcA1 THR 98 HG23 -0.06 -0.02 -0.05 -0.04 1.22 1.06 1dlcA1 ILE 99 H -0.20 0.48 0.19 -0.55 8.25 8.17 1dlcA1 ILE 99 HA -0.46 0.06 0.61 -0.75 4.18 3.64 1dlcA1 ILE 99 HB -0.66 0.07 0.09 -0.04 1.89 1.35 1dlcA1 ILE 99 HG12 -0.07 -0.03 0.04 -0.04 1.49 1.39 1dlcA1 ILE 99 HG13 0.06 0.01 0.02 -0.04 1.21 1.26 1dlcA1 ILE 99 HG23 -0.89 -0.02 -0.08 -0.04 0.93 -0.09 1dlcA1 ILE 99 HD13 -0.12 0.01 -0.11 -0.04 0.88 0.62 1dlcA1 TRP 100 H 0.00 0.29 0.01 -0.55 7.97 7.72 1dlcA1 TRP 100 HA 0.24 0.20 1.06 -0.75 4.62 5.36 1dlcA1 TRP 100 HB2 -0.09 -0.00 0.13 -0.04 3.23 3.22 1dlcA1 TRP 100 HB3 0.04 -0.06 0.19 -0.04 3.23 3.37 1dlcA1 TRP 100 HD1 -1.01 0.03 -0.16 -0.04 7.22 6.03 1dlcA1 TRP 100 HE1 0.12 0.01 -0.06 -0.04 10.20 10.23 1dlcA1 TRP 100 HE3 0.07 -0.01 -0.02 -0.04 7.59 7.59 1dlcA1 TRP 100 HZ2 0.37 0.02 -0.02 -0.04 7.44 7.77 1dlcA1 TRP 100 HZ3 -0.51 0.03 -0.03 -0.04 7.13 6.58 1dlcA1 TRP 100 HH2 -0.32 -0.04 -0.05 -0.04 7.19 6.74 1dlcA1 PRO 101 HA 0.08 0.09 0.59 -0.51 4.44 4.70 1dlcA1 PRO 101 HB2 0.01 -0.13 -0.00 -0.04 2.28 2.12 1dlcA1 PRO 101 HB3 0.01 0.12 0.11 -0.04 2.02 2.22 1dlcA1 PRO 101 HG2 -0.04 -0.25 0.05 -0.04 2.03 1.76 1dlcA1 PRO 101 HG3 -0.07 0.19 0.01 -0.04 2.03 2.12 1dlcA1 PRO 101 HD2 -0.11 0.16 -0.63 -0.04 3.68 3.06 1dlcA1 PRO 101 HD3 -0.05 0.10 -0.76 -0.04 3.65 2.90 1dlcA1 SER 102 H 0.08 0.33 0.04 -0.55 8.46 8.36 1dlcA1 SER 102 HA 0.10 0.16 0.50 -0.75 4.49 4.50 1dlcA1 SER 102 HB2 0.04 -0.18 0.20 -0.04 3.95 3.97 1dlcA1 SER 102 HB3 0.03 0.20 -0.08 -0.04 3.93 4.04 1dlcA1 GLU 103 H 0.08 0.16 0.15 -0.55 8.60 8.44 1dlcA1 GLU 103 HA 0.29 0.20 0.59 -0.75 4.29 4.62 1dlcA1 GLU 103 HB2 0.10 0.01 0.14 -0.04 2.09 2.29 1dlcA1 GLU 103 HB3 0.08 0.06 0.10 -0.04 1.99 2.18 1dlcA1 GLU 103 HG2 0.05 -0.01 -0.20 -0.04 2.34 2.13 1dlcA1 GLU 103 HG3 0.04 0.02 -0.00 -0.04 2.34 2.36 1dlcA1 ASP 104 H 0.02 0.07 -0.23 -0.55 8.40 7.72 1dlcA1 ASP 104 HA -0.03 0.01 0.30 -0.75 4.63 4.17 1dlcA1 ASP 104 HB2 -0.06 0.09 0.06 -0.04 2.71 2.76 1dlcA1 ASP 104 HB3 -0.08 0.02 -0.01 -0.04 2.70 2.58 1dlcA1 PRO 105 HA -0.47 0.02 0.43 -0.51 4.44 3.91 1dlcA1 PRO 105 HB2 -0.90 0.15 0.11 -0.04 2.28 1.60 1dlcA1 PRO 105 HB3 -0.62 0.07 0.12 -0.04 2.02 1.55 1dlcA1 PRO 105 HG2 -0.26 0.22 0.04 -0.04 2.03 1.99 1dlcA1 PRO 105 HG3 -0.25 0.01 0.06 -0.04 2.03 1.81 1dlcA1 PRO 105 HD2 -0.07 0.46 -0.15 -0.04 3.68 3.88 1dlcA1 PRO 105 HD3 -0.09 -0.07 -0.01 -0.04 3.65 3.43 1dlcA1 TRP 106 H -0.19 0.27 -0.19 -0.55 7.97 7.32 1dlcA1 TRP 106 HA 0.07 0.06 0.42 -0.75 4.62 4.41 1dlcA1 TRP 106 HB2 -0.07 0.07 0.13 -0.04 3.23 3.32 1dlcA1 TRP 106 HB3 -0.07 -0.04 0.04 -0.04 3.23 3.12 1dlcA1 TRP 106 HD1 -0.14 0.08 0.12 -0.04 7.22 7.24 1dlcA1 TRP 106 HE1 -0.53 0.09 0.10 -0.04 10.20 9.82 1dlcA1 TRP 106 HE3 -0.20 -0.11 0.05 -0.04 7.59 7.29 1dlcA1 TRP 106 HZ2 -3.17 0.02 -0.14 -0.04 7.44 4.11 1dlcA1 TRP 106 HZ3 -0.39 0.12 0.09 -0.04 7.13 6.91 1dlcA1 TRP 106 HH2 -0.62 0.02 -0.29 -0.04 7.19 6.25 1dlcA1 LYS 107 H 0.07 0.56 -0.14 -0.55 8.42 8.36 1dlcA1 LYS 107 HA 0.07 0.01 0.46 -0.75 4.32 4.11 1dlcA1 LYS 107 HB2 0.04 0.14 0.11 -0.04 1.87 2.12 1dlcA1 LYS 107 HB3 -0.02 0.07 0.10 -0.04 1.79 1.90 1dlcA1 LYS 107 HG2 -0.00 -0.02 -0.00 -0.04 1.46 1.39 1dlcA1 LYS 107 HG3 0.03 -0.04 0.08 -0.04 1.46 1.49 1dlcA1 LYS 107 HD2 0.01 -0.02 -0.01 -0.04 1.69 1.62 1dlcA1 LYS 107 HD3 0.03 0.00 -0.02 -0.04 1.68 1.65 1dlcA1 LYS 107 HE2 0.01 0.03 -0.10 -0.04 2.99 2.88 1dlcA1 LYS 107 HE3 -0.01 0.00 -0.02 -0.04 2.99 2.92 1dlcA1 ALA 108 H -0.15 0.52 -0.17 -0.55 8.40 8.06 1dlcA1 ALA 108 HA -0.10 -0.02 0.44 -0.75 4.34 3.90 1dlcA1 ALA 108 HB3 -0.30 0.04 0.13 -0.04 1.41 1.24 1dlcA1 PHE 109 H -0.14 0.48 -0.16 -0.55 8.34 7.97 1dlcA1 PHE 109 HA -0.09 0.04 0.52 -0.75 4.62 4.34 1dlcA1 PHE 109 HB2 -0.08 0.13 0.15 -0.04 3.15 3.31 1dlcA1 PHE 109 HB3 -0.03 -0.13 -0.10 -0.04 3.06 2.76 1dlcA1 PHE 109 HD2 -0.43 -0.06 -0.04 -0.04 7.28 6.71 1dlcA1 PHE 109 HE2 -0.49 0.05 -0.02 -0.04 7.38 6.89 1dlcA1 PHE 109 HZ -0.27 0.02 -0.03 -0.04 7.32 7.01 1dlcA1 MET 110 H 0.12 0.42 -0.18 -0.55 8.47 8.28 1dlcA1 MET 110 HA 0.07 0.13 0.57 -0.75 4.52 4.53 1dlcA1 MET 110 HB2 0.05 0.13 0.25 -0.04 2.15 2.54 1dlcA1 MET 110 HB3 -0.02 -0.09 0.07 -0.04 2.03 1.95 1dlcA1 MET 110 HG2 0.18 -0.03 0.06 -0.04 2.63 2.80 1dlcA1 MET 110 HG3 0.21 0.24 0.13 -0.04 2.56 3.10 1dlcA1 MET 110 HE3 0.27 0.00 -0.05 -0.04 2.10 2.28 1dlcA1 GLU 111 H 0.01 0.58 0.03 -0.55 8.60 8.67 1dlcA1 GLU 111 HA -0.01 -0.02 0.37 -0.75 4.29 3.87 1dlcA1 GLU 111 HB2 -0.03 0.08 0.17 -0.04 2.09 2.26 1dlcA1 GLU 111 HB3 -0.02 -0.04 0.06 -0.04 1.99 1.94 1dlcA1 GLU 111 HG2 -0.02 -0.06 0.06 -0.04 2.34 2.28 1dlcA1 GLU 111 HG3 -0.02 0.15 0.13 -0.04 2.34 2.56 1dlcA1 GLN 112 H 0.02 0.38 -0.47 -0.55 8.47 7.85 1dlcA1 GLN 112 HA -0.00 -0.01 0.40 -0.75 4.36 3.99 1dlcA1 GLN 112 HB2 0.02 0.08 0.20 -0.04 2.15 2.40 1dlcA1 GLN 112 HB3 0.10 0.16 0.21 -0.04 2.02 2.45 1dlcA1 GLN 112 HG2 0.02 -0.03 -0.22 -0.04 2.40 2.13 1dlcA1 GLN 112 HG3 0.01 -0.02 0.04 -0.04 2.39 2.37 1dlcA1 GLN 112 HE21 0.03 0.06 -0.06 -0.04 6.97 6.95 1dlcA1 GLN 112 HE22 -0.00 0.01 -0.03 -0.04 7.69 7.62 1dlcA1 VAL 113 H 0.05 0.44 -0.01 -0.55 8.24 8.17 1dlcA1 VAL 113 HA 0.07 0.04 0.50 -0.75 4.13 3.99 1dlcA1 VAL 113 HB 0.04 0.15 0.22 -0.04 2.12 2.49 1dlcA1 VAL 113 HG13 0.13 0.05 -0.03 -0.04 0.97 1.08 1dlcA1 VAL 113 HG23 0.06 0.02 0.12 -0.04 0.95 1.11 1dlcA1 GLU 114 H 0.01 0.45 -0.16 -0.55 8.60 8.35 1dlcA1 GLU 114 HA 0.00 0.02 0.44 -0.75 4.29 3.99 1dlcA1 GLU 114 HB2 -0.01 0.07 0.20 -0.04 2.09 2.31 1dlcA1 GLU 114 HB3 -0.01 0.04 0.15 -0.04 1.99 2.13 1dlcA1 GLU 114 HG2 -0.05 -0.07 0.06 -0.04 2.34 2.24 1dlcA1 GLU 114 HG3 -0.04 0.32 0.05 -0.04 2.34 2.63 1dlcA1 ALA 115 H 0.01 0.53 -0.23 -0.55 8.40 8.17 1dlcA1 ALA 115 HA 0.01 -0.02 0.43 -0.75 4.34 4.00 1dlcA1 ALA 115 HB3 0.00 0.04 0.13 -0.04 1.41 1.54 1dlcA1 LEU 116 H 0.04 0.41 -0.04 -0.55 8.37 8.24 1dlcA1 LEU 116 HA 0.04 0.02 0.44 -0.75 4.35 4.10 1dlcA1 LEU 116 HB2 0.15 0.03 0.17 -0.04 1.64 1.95 1dlcA1 LEU 116 HB3 0.23 -0.03 0.00 -0.04 1.64 1.80 1dlcA1 LEU 116 HG 0.04 0.09 0.05 -0.04 1.64 1.79 1dlcA1 LEU 116 HD13 0.02 -0.03 -0.03 -0.04 0.93 0.85 1dlcA1 LEU 116 HD23 0.05 -0.01 -0.10 -0.04 0.89 0.80 1dlcA1 MET 117 H 0.04 0.58 -0.16 -0.55 8.47 8.39 1dlcA1 MET 117 HA -0.02 0.14 0.63 -0.75 4.52 4.51 1dlcA1 MET 117 HB2 0.04 0.22 0.06 -0.04 2.15 2.44 1dlcA1 MET 117 HB3 0.01 -0.10 -0.12 -0.04 2.03 1.77 1dlcA1 MET 117 HG2 0.01 -0.13 -0.09 -0.04 2.63 2.38 1dlcA1 MET 117 HG3 -0.03 0.00 -0.00 -0.04 2.56 2.49 1dlcA1 MET 117 HE3 -0.21 0.05 0.00 -0.04 2.10 1.91 1dlcA1 ASP 118 H 0.01 0.37 -0.24 -0.55 8.40 7.99 1dlcA1 ASP 118 HA 0.00 0.03 0.36 -0.75 4.63 4.27 1dlcA1 ASP 118 HB2 0.00 0.04 -0.18 -0.04 2.71 2.53 1dlcA1 ASP 118 HB3 -0.00 0.06 0.24 -0.04 2.70 2.96 1dlcA1 GLN 119 H 0.00 0.41 0.08 -0.55 8.47 8.42 1dlcA1 GLN 119 HA 0.01 0.10 0.64 -0.75 4.36 4.35 1dlcA1 GLN 119 HB2 0.01 -0.05 -0.15 -0.04 2.15 1.91 1dlcA1 GLN 119 HB3 0.02 -0.05 0.01 -0.04 2.02 1.96 1dlcA1 GLN 119 HG2 -0.00 0.03 0.03 -0.04 2.40 2.41 1dlcA1 GLN 119 HG3 -0.01 0.29 -0.44 -0.04 2.39 2.19 1dlcA1 GLN 119 HE21 -0.05 -0.03 0.01 -0.04 6.97 6.86 1dlcA1 GLN 119 HE22 -0.01 -0.03 0.03 -0.04 7.69 7.64 1dlcA1 LYS 120 H 0.03 0.21 0.14 -0.55 8.42 8.25 1dlcA1 LYS 120 HA -0.03 0.18 0.92 -0.75 4.32 4.64 1dlcA1 LYS 120 HB2 0.00 -0.03 -0.01 -0.04 1.87 1.80 1dlcA1 LYS 120 HB3 -0.03 0.05 -0.00 -0.04 1.79 1.77 1dlcA1 LYS 120 HG2 -0.02 0.04 -0.05 -0.04 1.46 1.39 1dlcA1 LYS 120 HG3 -0.00 -0.00 -0.45 -0.04 1.46 0.97 1dlcA1 LYS 120 HD2 -0.00 -0.02 -0.07 -0.04 1.69 1.56 1dlcA1 LYS 120 HD3 -0.01 -0.02 -0.04 -0.04 1.68 1.56 1dlcA1 LYS 120 HE2 -0.01 0.00 -0.05 -0.04 2.99 2.89 1dlcA1 LYS 120 HE3 -0.00 0.04 -0.10 -0.04 2.99 2.89 1dlcA1 ILE 121 H -0.13 0.15 0.09 -0.55 8.25 7.82 1dlcA1 ILE 121 HA -0.41 0.12 0.63 -0.75 4.18 3.77 1dlcA1 ILE 121 HB -0.32 -0.03 0.01 -0.04 1.89 1.51 1dlcA1 ILE 121 HG12 -0.46 0.02 -0.08 -0.04 1.49 0.93 1dlcA1 ILE 121 HG13 -0.24 -0.03 -0.03 -0.04 1.21 0.87 1dlcA1 ILE 121 HG23 -0.83 0.03 -0.11 -0.04 0.93 -0.02 1dlcA1 ILE 121 HD13 -0.64 0.04 -0.09 -0.04 0.88 0.15 1dlcA1 ALA 122 H -1.01 0.17 0.12 -0.55 8.40 7.14 1dlcA1 ALA 122 HA -0.08 0.10 0.46 -0.75 4.34 4.06 1dlcA1 ALA 122 HB3 -0.15 0.02 0.14 -0.04 1.41 1.38 1dlcA1 ASP 123 H -0.04 0.20 0.20 -0.55 8.40 8.22 1dlcA1 ASP 123 HA -0.08 0.10 0.35 -0.75 4.63 4.25 1dlcA1 ASP 123 HB2 0.02 -0.01 0.17 -0.04 2.71 2.85 1dlcA1 ASP 123 HB3 0.02 0.03 -0.03 -0.04 2.70 2.69 1dlcA1 TYR 124 H 0.13 0.09 -0.27 -0.55 8.29 7.69 1dlcA1 TYR 124 HA -0.01 0.08 0.41 -0.75 4.56 4.29 1dlcA1 TYR 124 HB2 -0.00 0.06 0.06 -0.04 3.06 3.14 1dlcA1 TYR 124 HB3 -0.00 0.00 0.09 -0.04 2.98 3.02 1dlcA1 TYR 124 HD2 0.00 -0.02 -0.12 -0.04 7.15 6.97 1dlcA1 TYR 124 HE2 0.05 0.04 -0.01 -0.04 6.85 6.89 1dlcA1 ALA 125 H -1.13 0.20 -0.13 -0.55 8.40 6.80 1dlcA1 ALA 125 HA -0.25 0.06 0.41 -0.75 4.34 3.81 1dlcA1 ALA 125 HB3 -0.61 0.03 0.08 -0.04 1.41 0.87 1dlcA1 LYS 126 H -0.21 0.37 -0.33 -0.55 8.42 7.69 1dlcA1 LYS 126 HA 0.08 0.07 0.43 -0.75 4.32 4.15 1dlcA1 LYS 126 HB2 -0.14 0.02 -0.12 -0.04 1.87 1.58 1dlcA1 LYS 126 HB3 -0.05 0.08 0.07 -0.04 1.79 1.85 1dlcA1 LYS 126 HG2 -0.00 -0.01 -0.06 -0.04 1.46 1.35 1dlcA1 LYS 126 HG3 -0.01 -0.00 0.03 -0.04 1.46 1.44 1dlcA1 LYS 126 HD2 -0.12 -0.05 -0.02 -0.04 1.69 1.46 1dlcA1 LYS 126 HD3 -0.06 0.01 -0.03 -0.04 1.68 1.55 1dlcA1 LYS 126 HE2 -0.04 0.01 0.00 -0.04 2.99 2.92 1dlcA1 LYS 126 HE3 -0.02 -0.00 0.00 -0.04 2.99 2.93 1dlcA1 ASN 127 H -0.02 0.66 -0.00 -0.55 8.53 8.63 1dlcA1 ASN 127 HA 0.02 0.02 0.40 -0.75 4.76 4.44 1dlcA1 ASN 127 HB2 0.03 0.06 0.17 -0.04 2.88 3.10 1dlcA1 ASN 127 HB3 0.02 -0.03 0.01 -0.04 2.79 2.75 1dlcA1 ASN 127 HD21 0.02 -0.07 -0.04 -0.04 7.03 6.90 1dlcA1 ASN 127 HD22 0.04 -0.05 -0.10 -0.04 7.74 7.59 1dlcA1 LYS 128 H 0.02 0.57 -0.07 -0.55 8.42 8.38 1dlcA1 LYS 128 HA 0.01 0.02 0.46 -0.75 4.32 4.06 1dlcA1 LYS 128 HB2 0.04 -0.01 0.12 -0.04 1.87 1.98 1dlcA1 LYS 128 HB3 0.01 0.08 0.13 -0.04 1.79 1.97 1dlcA1 LYS 128 HG2 -0.07 0.04 -0.26 -0.04 1.46 1.12 1dlcA1 LYS 128 HG3 -0.03 -0.06 0.05 -0.04 1.46 1.39 1dlcA1 LYS 128 HD2 0.02 -0.03 0.00 -0.04 1.69 1.64 1dlcA1 LYS 128 HD3 -0.03 0.02 -0.01 -0.04 1.68 1.61 1dlcA1 LYS 128 HE2 -0.04 0.00 -0.02 -0.04 2.99 2.90 1dlcA1 LYS 128 HE3 -0.09 0.03 -0.02 -0.04 2.99 2.87 1dlcA1 ALA 129 H 0.05 0.44 -0.23 -0.55 8.40 8.12 1dlcA1 ALA 129 HA 0.09 0.02 0.35 -0.75 4.34 4.04 1dlcA1 ALA 129 HB3 0.21 0.07 0.13 -0.04 1.41 1.77 1dlcA1 LEU 130 H 0.07 0.53 -0.16 -0.55 8.37 8.27 1dlcA1 LEU 130 HA 0.01 -0.01 0.33 -0.75 4.35 3.94 1dlcA1 LEU 130 HB2 0.04 0.12 0.17 -0.04 1.64 1.93 1dlcA1 LEU 130 HB3 0.04 -0.07 0.03 -0.04 1.64 1.59 1dlcA1 LEU 130 HG 0.09 0.10 0.05 -0.04 1.64 1.84 1dlcA1 LEU 130 HD13 0.04 -0.03 -0.04 -0.04 0.93 0.86 1dlcA1 LEU 130 HD23 0.10 -0.03 -0.01 -0.04 0.89 0.91 1dlcA1 ALA 131 H 0.02 0.47 -0.28 -0.55 8.40 8.07 1dlcA1 ALA 131 HA 0.00 -0.03 0.42 -0.75 4.34 3.98 1dlcA1 ALA 131 HB3 0.00 0.03 0.14 -0.04 1.41 1.54 1dlcA1 GLU 132 H 0.00 0.67 0.02 -0.55 8.60 8.74 1dlcA1 GLU 132 HA 0.03 -0.02 0.40 -0.75 4.29 3.94 1dlcA1 GLU 132 HB2 0.07 0.15 0.16 -0.04 2.09 2.43 1dlcA1 GLU 132 HB3 -0.02 -0.04 0.03 -0.04 1.99 1.91 1dlcA1 GLU 132 HG2 -0.06 0.18 0.08 -0.04 2.34 2.50 1dlcA1 GLU 132 HG3 -0.23 -0.01 0.02 -0.04 2.34 2.08 1dlcA1 LEU 133 H -0.04 0.56 -0.20 -0.55 8.37 8.15 1dlcA1 LEU 133 HA -0.22 -0.00 0.34 -0.75 4.35 3.72 1dlcA1 LEU 133 HB2 -0.25 0.10 0.12 -0.04 1.64 1.57 1dlcA1 LEU 133 HB3 -0.79 -0.03 -0.00 -0.04 1.64 0.77 1dlcA1 LEU 133 HG -0.26 0.05 0.01 -0.04 1.64 1.40 1dlcA1 LEU 133 HD13 -0.35 -0.03 -0.15 -0.04 0.93 0.36 1dlcA1 LEU 133 HD23 -1.79 -0.00 -0.02 -0.04 0.89 -0.96 1dlcA1 GLN 134 H -0.05 0.49 -0.18 -0.55 8.47 8.19 1dlcA1 GLN 134 HA 0.01 0.01 0.44 -0.75 4.36 4.07 1dlcA1 GLN 134 HB2 -0.01 0.13 0.19 -0.04 2.15 2.42 1dlcA1 GLN 134 HB3 0.01 -0.07 0.06 -0.04 2.02 1.98 1dlcA1 GLN 134 HG2 -0.00 0.42 0.14 -0.04 2.40 2.92 1dlcA1 GLN 134 HG3 0.01 -0.08 0.04 -0.04 2.39 2.32 1dlcA1 GLN 134 HE21 0.06 -0.14 0.02 -0.04 6.97 6.86 1dlcA1 GLN 134 HE22 0.03 0.02 0.03 -0.04 7.69 7.72 1dlcA1 GLY 135 H -0.03 0.48 -0.10 -0.55 8.43 8.22 1dlcA1 GLY 135 HA2 -0.01 -0.02 0.40 -0.51 4.01 3.87 1dlcA1 GLY 135 HA3 0.09 0.07 0.32 -0.51 4.01 3.98 1dlcA1 LEU 136 H -0.32 0.55 -0.11 -0.55 8.37 7.95 1dlcA1 LEU 136 HA -0.83 0.00 0.44 -0.75 4.35 3.21 1dlcA1 LEU 136 HB2 -0.28 0.10 0.08 -0.04 1.64 1.49 1dlcA1 LEU 136 HB3 -0.93 -0.03 -0.02 -0.04 1.64 0.62 1dlcA1 LEU 136 HG -0.76 0.16 -0.04 -0.04 1.64 0.96 1dlcA1 LEU 136 HD13 -0.23 -0.02 -0.14 -0.04 0.93 0.49 1dlcA1 LEU 136 HD23 -1.52 0.01 -0.19 -0.04 0.89 -0.85 1dlcA1 GLN 137 H -0.10 0.48 -0.31 -0.55 8.47 8.00 1dlcA1 GLN 137 HA -0.20 0.03 0.42 -0.75 4.36 3.85 1dlcA1 GLN 137 HB2 0.26 0.10 0.13 -0.04 2.15 2.60 1dlcA1 GLN 137 HB3 0.05 0.09 0.20 -0.04 2.02 2.32 1dlcA1 GLN 137 HG2 0.09 -0.11 -0.11 -0.04 2.40 2.23 1dlcA1 GLN 137 HG3 0.35 0.12 0.06 -0.04 2.39 2.87 1dlcA1 GLN 137 HE21 0.09 0.09 -0.10 -0.04 6.97 7.00 1dlcA1 GLN 137 HE22 0.10 -0.02 -0.01 -0.04 7.69 7.72 1dlcA1 ASN 138 H -0.07 0.45 -0.07 -0.55 8.53 8.28 1dlcA1 ASN 138 HA -0.04 -0.00 0.36 -0.75 4.76 4.32 1dlcA1 ASN 138 HB2 -0.05 0.15 0.16 -0.04 2.88 3.10 1dlcA1 ASN 138 HB3 -0.03 -0.06 0.06 -0.04 2.79 2.71 1dlcA1 ASN 138 HD21 -0.01 -0.05 -0.01 -0.04 7.03 6.92 1dlcA1 ASN 138 HD22 -0.01 -0.02 0.03 -0.04 7.74 7.69 1dlcA1 ASN 139 H -0.17 0.42 -0.27 -0.55 8.53 7.97 1dlcA1 ASN 139 HA -0.07 -0.03 0.35 -0.75 4.76 4.26 1dlcA1 ASN 139 HB2 -0.31 0.17 0.17 -0.04 2.88 2.87 1dlcA1 ASN 139 HB3 -0.14 -0.09 0.03 -0.04 2.79 2.54 1dlcA1 ASN 139 HD21 0.03 -0.04 -0.01 -0.04 7.03 6.96 1dlcA1 ASN 139 HD22 -0.05 -0.16 -0.08 -0.04 7.74 7.41 1dlcA1 VAL 140 H -0.29 0.62 -0.11 -0.55 8.24 7.91 1dlcA1 VAL 140 HA -0.09 -0.01 0.43 -0.75 4.13 3.71 1dlcA1 VAL 140 HB -0.48 0.10 0.16 -0.04 2.12 1.87 1dlcA1 VAL 140 HG13 -0.22 -0.03 -0.03 -0.04 0.97 0.65 1dlcA1 VAL 140 HG23 -0.74 0.16 0.05 -0.04 0.95 0.37 1dlcA1 GLU 141 H -0.11 0.75 0.01 -0.55 8.60 8.70 1dlcA1 GLU 141 HA -0.04 0.01 0.44 -0.75 4.29 3.94 1dlcA1 GLU 141 HB2 -0.04 0.05 0.17 -0.04 2.09 2.23 1dlcA1 GLU 141 HB3 -0.02 -0.07 0.04 -0.04 1.99 1.89 1dlcA1 GLU 141 HG2 0.01 -0.04 0.03 -0.04 2.34 2.30 1dlcA1 GLU 141 HG3 -0.03 0.18 0.08 -0.04 2.34 2.53 1dlcA1 ASP 142 H -0.05 0.76 0.02 -0.55 8.40 8.58 1dlcA1 ASP 142 HA -0.05 -0.04 0.35 -0.75 4.63 4.14 1dlcA1 ASP 142 HB2 -0.03 0.13 0.16 -0.04 2.71 2.93 1dlcA1 ASP 142 HB3 -0.04 -0.07 0.04 -0.04 2.70 2.59 1dlcA1 TYR 143 H 0.03 0.49 -0.35 -0.55 8.29 7.91 1dlcA1 TYR 143 HA -0.14 -0.04 0.38 -0.75 4.56 4.01 1dlcA1 TYR 143 HB2 -0.12 0.03 0.05 -0.04 3.06 2.98 1dlcA1 TYR 143 HB3 -0.14 0.17 0.20 -0.04 2.98 3.17 1dlcA1 TYR 143 HD2 -0.17 0.02 -0.07 -0.04 7.15 6.89 1dlcA1 TYR 143 HE2 -0.15 0.01 -0.04 -0.04 6.85 6.62 1dlcA1 VAL 144 H -0.11 0.67 0.01 -0.55 8.24 8.26 1dlcA1 VAL 144 HA -0.52 -0.01 0.46 -0.75 4.13 3.32 1dlcA1 VAL 144 HB -0.09 0.07 0.15 -0.04 2.12 2.21 1dlcA1 VAL 144 HG13 -0.05 -0.02 -0.14 -0.04 0.97 0.72 1dlcA1 VAL 144 HG23 -0.25 0.08 0.05 -0.04 0.95 0.79 1dlcA1 SER 145 H -0.11 0.67 -0.07 -0.55 8.46 8.40 1dlcA1 SER 145 HA -0.06 0.01 0.38 -0.75 4.49 4.06 1dlcA1 SER 145 HB2 -0.04 -0.06 0.07 -0.04 3.95 3.87 1dlcA1 SER 145 HB3 -0.05 0.06 0.10 -0.04 3.93 4.01 1dlcA1 ALA 146 H -0.16 0.49 -0.17 -0.55 8.40 8.01 1dlcA1 ALA 146 HA -0.08 -0.03 0.35 -0.75 4.34 3.82 1dlcA1 ALA 146 HB3 -0.20 0.03 0.11 -0.04 1.41 1.31 1dlcA1 LEU 147 H -0.44 0.68 -0.04 -0.55 8.37 8.02 1dlcA1 LEU 147 HA -0.20 -0.03 0.39 -0.75 4.35 3.76 1dlcA1 LEU 147 HB2 -0.81 0.02 0.10 -0.04 1.64 0.91 1dlcA1 LEU 147 HB3 -0.43 0.09 0.17 -0.04 1.64 1.42 1dlcA1 LEU 147 HG -0.02 -0.02 -0.20 -0.04 1.64 1.36 1dlcA1 LEU 147 HD13 -0.23 -0.02 0.03 -0.04 0.93 0.67 1dlcA1 LEU 147 HD23 0.13 -0.00 -0.05 -0.04 0.89 0.92 1dlcA1 SER 148 H -0.11 0.72 -0.20 -0.55 8.46 8.33 1dlcA1 SER 148 HA 0.05 -0.04 0.38 -0.75 4.49 4.12 1dlcA1 SER 148 HB2 -0.01 0.05 0.11 -0.04 3.95 4.06 1dlcA1 SER 148 HB3 -0.02 0.18 0.20 -0.04 3.93 4.25 1dlcA1 SER 149 H -0.00 0.53 -0.08 -0.55 8.46 8.36 1dlcA1 SER 149 HA 0.02 -0.03 0.39 -0.75 4.49 4.12 1dlcA1 SER 149 HB2 0.03 0.12 0.18 -0.04 3.95 4.23 1dlcA1 SER 149 HB3 0.02 -0.08 0.03 -0.04 3.93 3.86 1dlcA1 TRP 150 H 0.19 0.61 -0.09 -0.55 7.97 8.14 1dlcA1 TRP 150 HA -0.01 -0.04 0.31 -0.75 4.62 4.12 1dlcA1 TRP 150 HB2 -0.07 -0.03 0.08 -0.04 3.23 3.16 1dlcA1 TRP 150 HB3 -0.08 0.12 0.16 -0.04 3.23 3.39 1dlcA1 TRP 150 HD1 -0.08 0.02 -0.25 -0.04 7.22 6.88 1dlcA1 TRP 150 HE1 0.18 -0.04 -0.08 -0.04 10.20 10.22 1dlcA1 TRP 150 HE3 -0.03 -0.01 -0.08 -0.04 7.59 7.43 1dlcA1 TRP 150 HZ2 0.18 -0.05 -0.19 -0.04 7.44 7.34 1dlcA1 TRP 150 HZ3 0.02 -0.11 -0.18 -0.04 7.13 6.83 1dlcA1 TRP 150 HH2 0.15 0.16 -0.09 -0.04 7.19 7.36 1dlcA1 GLN 151 H 0.20 0.53 -0.11 -0.55 8.47 8.55 1dlcA1 GLN 151 HA 0.18 -0.01 0.41 -0.75 4.36 4.19 1dlcA1 GLN 151 HB2 0.15 0.14 0.15 -0.04 2.15 2.55 1dlcA1 GLN 151 HB3 0.15 -0.06 -0.10 -0.04 2.02 1.97 1dlcA1 GLN 151 HG2 0.29 0.01 0.03 -0.04 2.40 2.68 1dlcA1 GLN 151 HG3 0.26 0.02 -0.02 -0.04 2.39 2.61 1dlcA1 GLN 151 HE21 0.24 -0.06 -0.00 -0.04 6.97 7.10 1dlcA1 GLN 151 HE22 0.21 0.03 -0.15 -0.04 7.69 7.74 1dlcA1 LYS 152 H 0.05 0.47 -0.14 -0.55 8.42 8.25 1dlcA1 LYS 152 HA 0.03 -0.06 0.41 -0.75 4.32 3.95 1dlcA1 LYS 152 HB2 0.04 0.05 0.13 -0.04 1.87 2.05 1dlcA1 LYS 152 HB3 0.01 0.07 0.15 -0.04 1.79 1.99 1dlcA1 LYS 152 HG2 0.01 -0.04 -0.10 -0.04 1.46 1.29 1dlcA1 LYS 152 HG3 0.03 -0.06 0.04 -0.04 1.46 1.43 1dlcA1 LYS 152 HD2 0.03 0.00 -0.03 -0.04 1.69 1.65 1dlcA1 LYS 152 HD3 0.01 -0.01 -0.03 -0.04 1.68 1.62 1dlcA1 LYS 152 HE2 0.01 -0.02 -0.02 -0.04 2.99 2.91 1dlcA1 LYS 152 HE3 0.02 -0.02 -0.01 -0.04 2.99 2.94 1dlcA1 ASN 153 H -0.06 0.65 -0.06 -0.55 8.53 8.51 1dlcA1 ASN 153 HA -0.07 -0.01 0.56 -0.75 4.76 4.49 1dlcA1 ASN 153 HB2 -0.18 0.10 0.08 -0.04 2.88 2.84 1dlcA1 ASN 153 HB3 -0.15 -0.10 0.01 -0.04 2.79 2.51 1dlcA1 ASN 153 HD21 -0.02 -0.07 -0.01 -0.04 7.03 6.89 1dlcA1 ASN 153 HD22 -0.06 -0.03 -0.04 -0.04 7.74 7.57 1dlcA1 PRO 154 HA -0.08 0.15 0.48 -0.51 4.44 4.47 1dlcA1 PRO 154 HB2 -0.06 -0.18 0.04 -0.04 2.28 2.04 1dlcA1 PRO 154 HB3 -0.05 0.04 0.13 -0.04 2.02 2.10 1dlcA1 PRO 154 HG2 -0.04 -0.01 0.12 -0.04 2.03 2.06 1dlcA1 PRO 154 HG3 -0.04 0.14 0.14 -0.04 2.03 2.23 1dlcA1 PRO 154 HD2 -0.07 -0.04 0.24 -0.04 3.68 3.77 1dlcA1 PRO 154 HD3 -0.05 0.23 0.32 -0.04 3.65 4.11 1dlcA1 VAL 155 H -0.08 0.16 0.15 -0.55 8.24 7.91 1dlcA1 VAL 155 HA -0.20 0.16 0.29 -0.75 4.13 3.63 1dlcA1 VAL 155 HB -0.04 -0.03 0.14 -0.04 2.12 2.15 1dlcA1 VAL 155 HG13 -0.03 0.01 0.14 -0.04 0.97 1.06 1dlcA1 VAL 155 HG23 -0.04 0.02 0.11 -0.04 0.95 0.99 1dlcA1 SER 156 H -0.10 0.26 -0.99 -0.55 8.46 7.09 1dlcA1 SER 156 HA -0.04 0.22 0.87 -0.75 4.49 4.78 1dlcA1 SER 156 HB2 -0.03 0.01 -0.01 -0.04 3.95 3.88 1dlcA1 SER 156 HB3 -0.04 -0.01 -0.05 -0.04 3.93 3.79 1dlcA1 SER 157 H -0.09 0.20 0.09 -0.55 8.46 8.11 1dlcA1 SER 157 HA -0.03 0.05 0.35 -0.75 4.49 4.10 1dlcA1 SER 157 HB2 -0.05 -0.03 0.12 -0.04 3.95 3.95 1dlcA1 SER 157 HB3 -0.10 0.11 0.03 -0.04 3.93 3.93 1dlcA1 ARG 158 H -0.13 0.08 -0.98 -0.55 8.46 6.88 1dlcA1 ARG 158 HA -0.09 0.02 0.58 -0.75 4.34 4.10 1dlcA1 ARG 158 HB2 -0.13 0.04 -0.01 -0.04 1.90 1.77 1dlcA1 ARG 158 HB3 -0.06 0.04 -0.01 -0.04 1.80 1.73 1dlcA1 ARG 158 HG2 -1.33 0.01 -0.10 -0.04 1.67 0.21 1dlcA1 ARG 158 HG3 -0.48 0.00 -0.16 -0.04 1.67 0.98 1dlcA1 ARG 158 HD2 -0.29 -0.10 -0.03 -0.04 3.22 2.75 1dlcA1 ARG 158 HD3 -0.55 0.01 -0.05 -0.04 3.22 2.59 1dlcA1 ASN 159 H 0.05 0.21 0.22 -0.55 8.53 8.46 1dlcA1 ASN 159 HA 0.06 0.28 0.81 -0.75 4.76 5.16 1dlcA1 ASN 159 HB2 0.08 -0.02 0.13 -0.04 2.88 3.02 1dlcA1 ASN 159 HB3 0.05 0.11 -0.01 -0.04 2.79 2.91 1dlcA1 ASN 159 HD21 0.12 -0.03 0.09 -0.04 7.03 7.17 1dlcA1 ASN 159 HD22 0.06 0.20 0.07 -0.04 7.74 8.03 1dlcA1 PRO 160 HA 0.08 0.14 0.38 -0.51 4.44 4.53 1dlcA1 PRO 160 HB2 0.07 -0.02 0.09 -0.04 2.28 2.38 1dlcA1 PRO 160 HB3 0.06 0.06 0.11 -0.04 2.02 2.21 1dlcA1 PRO 160 HG2 0.05 0.04 0.11 -0.04 2.03 2.19 1dlcA1 PRO 160 HG3 0.06 0.10 0.11 -0.04 2.03 2.27 1dlcA1 PRO 160 HD2 0.07 0.06 0.22 -0.04 3.68 3.99 1dlcA1 PRO 160 HD3 0.06 0.23 0.25 -0.04 3.65 4.15 1dlcA1 HIS 161 H 0.17 0.10 -0.29 -0.55 8.41 7.84 1dlcA1 HIS 161 HA 0.01 0.09 0.41 -0.75 4.63 4.39 1dlcA1 HIS 161 HB2 0.01 0.02 0.07 -0.04 3.26 3.32 1dlcA1 HIS 161 HB3 0.02 -0.02 0.08 -0.04 3.20 3.24 1dlcA1 HIS 161 HD2 0.01 0.01 -0.05 -0.04 6.97 6.90 1dlcA1 HIS 161 HE1 -0.00 0.01 -0.03 -0.04 7.75 7.68 1dlcA1 SER 162 H -0.02 0.24 -0.08 -0.55 8.46 8.05 1dlcA1 SER 162 HA -0.34 0.08 0.65 -0.75 4.49 4.13 1dlcA1 SER 162 HB2 0.06 0.02 0.08 -0.04 3.95 4.07 1dlcA1 SER 162 HB3 -0.08 -0.00 0.12 -0.04 3.93 3.93 1dlcA1 GLN 163 H 0.08 0.41 -0.13 -0.55 8.47 8.29 1dlcA1 GLN 163 HA -0.02 0.03 0.44 -0.75 4.36 4.06 1dlcA1 GLN 163 HB2 0.05 0.07 0.14 -0.04 2.15 2.36 1dlcA1 GLN 163 HB3 0.04 0.38 0.02 -0.04 2.02 2.42 1dlcA1 GLN 163 HG2 0.48 0.03 -0.04 -0.04 2.40 2.83 1dlcA1 GLN 163 HG3 0.22 0.14 -0.17 -0.04 2.39 2.55 1dlcA1 GLN 163 HE21 0.17 -0.09 -0.10 -0.04 6.97 6.91 1dlcA1 GLN 163 HE22 0.35 0.22 -0.03 -0.04 7.69 8.18 1dlcA1 GLY 164 H -0.05 0.44 -0.12 -0.55 8.43 8.16 1dlcA1 GLY 164 HA2 -0.13 0.05 0.44 -0.51 4.01 3.86 1dlcA1 GLY 164 HA3 -0.06 0.06 0.29 -0.51 4.01 3.79 1dlcA1 ARG 165 H -0.16 0.26 -0.50 -0.55 8.46 7.50 1dlcA1 ARG 165 HA -0.11 0.03 0.48 -0.75 4.34 3.99 1dlcA1 ARG 165 HB2 -0.18 0.02 0.15 -0.04 1.90 1.85 1dlcA1 ARG 165 HB3 -0.18 0.22 0.23 -0.04 1.80 2.03 1dlcA1 ARG 165 HG2 -0.13 -0.01 -0.27 -0.04 1.67 1.22 1dlcA1 ARG 165 HG3 -0.09 -0.04 0.02 -0.04 1.67 1.52 1dlcA1 ARG 165 HD2 -0.11 -0.02 0.03 -0.04 3.22 3.07 1dlcA1 ARG 165 HD3 -0.10 0.05 0.03 -0.04 3.22 3.15 1dlcA1 ILE 166 H -0.29 0.49 -0.03 -0.55 8.25 7.87 1dlcA1 ILE 166 HA -0.36 0.03 0.47 -0.75 4.18 3.56 1dlcA1 ILE 166 HB -0.48 0.05 0.11 -0.04 1.89 1.53 1dlcA1 ILE 166 HG12 -1.46 -0.04 -0.05 -0.04 1.49 -0.10 1dlcA1 ILE 166 HG13 -0.58 -0.04 0.00 -0.04 1.21 0.55 1dlcA1 ILE 166 HG23 -1.38 0.06 0.05 -0.04 0.93 -0.39 1dlcA1 ILE 166 HD13 -0.82 0.02 -0.09 -0.04 0.88 -0.06 1dlcA1 ARG 167 H -0.42 0.61 -0.10 -0.55 8.46 8.00 1dlcA1 ARG 167 HA -0.40 0.01 0.33 -0.75 4.34 3.52 1dlcA1 ARG 167 HB2 -0.27 0.03 0.14 -0.04 1.90 1.77 1dlcA1 ARG 167 HB3 -0.40 -0.10 -0.04 -0.04 1.80 1.22 1dlcA1 ARG 167 HG2 -0.79 -0.13 -0.06 -0.04 1.67 0.65 1dlcA1 ARG 167 HG3 -0.37 0.37 0.04 -0.04 1.67 1.66 1dlcA1 ARG 167 HD2 -1.01 -0.19 -0.16 -0.04 3.22 1.82 1dlcA1 ARG 167 HD3 -0.33 0.20 -0.52 -0.04 3.22 2.52 1dlcA1 GLU 168 H -0.12 0.51 -0.25 -0.55 8.60 8.19 1dlcA1 GLU 168 HA 0.05 0.03 0.62 -0.75 4.29 4.24 1dlcA1 GLU 168 HB2 -0.00 -0.06 0.08 -0.04 2.09 2.07 1dlcA1 GLU 168 HB3 -0.01 -0.02 0.08 -0.04 1.99 2.01 1dlcA1 GLU 168 HG2 -0.07 0.34 0.25 -0.04 2.34 2.82 1dlcA1 GLU 168 HG3 -0.04 -0.02 -0.02 -0.04 2.34 2.21 1dlcA1 LEU 169 H -0.09 0.42 -0.25 -0.55 8.37 7.90 1dlcA1 LEU 169 HA -0.03 0.01 0.46 -0.75 4.35 4.04 1dlcA1 LEU 169 HB2 -0.09 0.11 0.20 -0.04 1.64 1.82 1dlcA1 LEU 169 HB3 0.02 -0.04 -0.03 -0.04 1.64 1.55 1dlcA1 LEU 169 HG -0.09 0.26 0.08 -0.04 1.64 1.85 1dlcA1 LEU 169 HD13 -0.09 -0.01 -0.10 -0.04 0.93 0.69 1dlcA1 LEU 169 HD23 -0.04 -0.03 -0.01 -0.04 0.89 0.77 1dlcA1 PHE 170 H 0.03 0.58 -0.15 -0.55 8.34 8.26 1dlcA1 PHE 170 HA -0.29 0.03 0.42 -0.75 4.62 4.03 1dlcA1 PHE 170 HB2 -0.30 0.07 0.08 -0.04 3.15 2.95 1dlcA1 PHE 170 HB3 -0.05 0.12 0.15 -0.04 3.06 3.23 1dlcA1 PHE 170 HD2 -0.24 0.02 -0.12 -0.04 7.28 6.90 1dlcA1 PHE 170 HE2 -0.86 0.11 -0.05 -0.04 7.38 6.55 1dlcA1 PHE 170 HZ -0.39 0.06 -0.02 -0.04 7.32 6.93 1dlcA1 SER 171 H 0.25 0.62 -0.02 -0.55 8.46 8.76 1dlcA1 SER 171 HA 0.20 -0.01 0.38 -0.75 4.49 4.30 1dlcA1 SER 171 HB2 0.17 0.07 0.15 -0.04 3.95 4.30 1dlcA1 SER 171 HB3 0.16 -0.05 -0.03 -0.04 3.93 3.98 1dlcA1 GLN 172 H 0.00 0.48 -0.45 -0.55 8.47 7.96 1dlcA1 GLN 172 HA -0.01 -0.01 0.46 -0.75 4.36 4.04 1dlcA1 GLN 172 HB2 -0.03 0.19 0.22 -0.04 2.15 2.49 1dlcA1 GLN 172 HB3 -0.03 -0.07 0.00 -0.04 2.02 1.89 1dlcA1 GLN 172 HG2 -0.00 0.13 0.08 -0.04 2.40 2.57 1dlcA1 GLN 172 HG3 -0.02 -0.05 0.02 -0.04 2.39 2.30 1dlcA1 GLN 172 HE21 -0.02 -0.04 -0.02 -0.04 6.97 6.85 1dlcA1 GLN 172 HE22 0.00 0.01 -0.05 -0.04 7.69 7.62 1dlcA1 ALA 173 H -0.12 0.57 -0.02 -0.55 8.40 8.29 1dlcA1 ALA 173 HA -0.10 -0.02 0.37 -0.75 4.34 3.83 1dlcA1 ALA 173 HB3 -0.19 0.04 0.06 -0.04 1.41 1.28 1dlcA1 GLU 174 H -0.34 0.64 -0.06 -0.55 8.60 8.29 1dlcA1 GLU 174 HA -0.04 0.02 0.31 -0.75 4.29 3.83 1dlcA1 GLU 174 HB2 -0.71 0.09 0.07 -0.04 2.09 1.49 1dlcA1 GLU 174 HB3 -0.09 0.03 0.07 -0.04 1.99 1.96 1dlcA1 GLU 174 HG2 0.02 0.02 0.03 -0.04 2.34 2.36 1dlcA1 GLU 174 HG3 -0.14 -0.01 -0.03 -0.04 2.34 2.13 1dlcA1 SER 175 H -0.01 0.56 -0.23 -0.55 8.46 8.24 1dlcA1 SER 175 HA 0.05 -0.03 0.42 -0.75 4.49 4.17 1dlcA1 SER 175 HB2 0.04 0.15 0.18 -0.04 3.95 4.29 1dlcA1 SER 175 HB3 -0.00 0.08 0.15 -0.04 3.93 4.11 1dlcA1 HIS 176 H 0.03 0.71 -0.10 -0.55 8.41 8.50 1dlcA1 HIS 176 HA -0.13 -0.05 0.38 -0.75 4.63 4.07 1dlcA1 HIS 176 HB2 -0.16 0.10 0.12 -0.04 3.26 3.28 1dlcA1 HIS 176 HB3 -0.31 0.12 0.13 -0.04 3.20 3.10 1dlcA1 HIS 176 HD2 -0.17 0.03 -0.11 -0.04 6.97 6.67 1dlcA1 HIS 176 HE1 -0.16 -0.04 0.02 -0.04 7.75 7.53 1dlcA1 PHE 177 H 0.00 0.55 -0.25 -0.55 8.34 8.08 1dlcA1 PHE 177 HA -0.17 -0.01 0.43 -0.75 4.62 4.11 1dlcA1 PHE 177 HB2 -0.65 0.21 0.19 -0.04 3.15 2.86 1dlcA1 PHE 177 HB3 -1.09 -0.05 -0.01 -0.04 3.06 1.86 1dlcA1 PHE 177 HD2 -0.18 0.08 -0.12 -0.04 7.28 7.02 1dlcA1 PHE 177 HE2 -0.05 -0.01 -0.04 -0.04 7.38 7.23 1dlcA1 PHE 177 HZ -0.48 0.01 -0.07 -0.04 7.32 6.74 1dlcA1 ARG 178 H -0.05 0.45 -0.06 -0.55 8.46 8.25 1dlcA1 ARG 178 HA 0.09 0.01 0.41 -0.75 4.34 4.09 1dlcA1 ARG 178 HB2 0.05 0.11 0.16 -0.04 1.90 2.18 1dlcA1 ARG 178 HB3 0.07 -0.05 0.03 -0.04 1.80 1.80 1dlcA1 ARG 178 HG2 0.29 -0.04 0.02 -0.04 1.67 1.91 1dlcA1 ARG 178 HG3 0.25 0.10 0.05 -0.04 1.67 2.03 1dlcA1 ARG 178 HD2 0.09 -0.04 -0.00 -0.04 3.22 3.23 1dlcA1 ARG 178 HD3 0.15 -0.02 -0.02 -0.04 3.22 3.29 1dlcA1 ASN 179 H -0.02 0.41 -0.30 -0.55 8.53 8.08 1dlcA1 ASN 179 HA -0.04 0.02 0.44 -0.75 4.76 4.42 1dlcA1 ASN 179 HB2 -0.06 0.11 0.11 -0.04 2.88 3.00 1dlcA1 ASN 179 HB3 -0.08 0.08 0.10 -0.04 2.79 2.85 1dlcA1 ASN 179 HD21 -0.06 -0.06 0.00 -0.04 7.03 6.88 1dlcA1 ASN 179 HD22 -0.05 0.01 -0.00 -0.04 7.74 7.66 1dlcA1 SER 180 H -0.04 0.48 -0.13 -0.55 8.46 8.22 1dlcA1 SER 180 HA -0.21 0.04 0.57 -0.75 4.49 4.14 1dlcA1 SER 180 HB2 -0.10 0.09 0.08 -0.04 3.95 3.98 1dlcA1 SER 180 HB3 -0.21 -0.12 -0.02 -0.04 3.93 3.54 1dlcA1 MET 181 H -0.06 0.56 -0.06 -0.55 8.47 8.36 1dlcA1 MET 181 HA -0.09 -0.04 0.30 -0.75 4.52 3.94 1dlcA1 MET 181 HB2 0.07 0.12 0.07 -0.04 2.15 2.36 1dlcA1 MET 181 HB3 0.05 -0.07 -0.05 -0.04 2.03 1.92 1dlcA1 MET 181 HG2 0.10 0.39 0.04 -0.04 2.63 3.11 1dlcA1 MET 181 HG3 0.15 -0.05 -0.04 -0.04 2.56 2.58 1dlcA1 MET 181 HE3 -0.86 0.00 0.00 -0.04 2.10 1.20 1dlcA1 PRO 182 HA -0.04 0.03 0.29 -0.51 4.44 4.20 1dlcA1 PRO 182 HB2 -0.11 0.05 -0.04 -0.04 2.28 2.14 1dlcA1 PRO 182 HB3 -0.04 -0.04 0.03 -0.04 2.02 1.93 1dlcA1 PRO 182 HG2 -0.04 0.08 0.02 -0.04 2.03 2.05 1dlcA1 PRO 182 HG3 0.00 -0.02 0.00 -0.04 2.03 1.97 1dlcA1 PRO 182 HD2 -0.13 0.30 -0.47 -0.04 3.68 3.34 1dlcA1 PRO 182 HD3 -0.03 0.18 -0.09 -0.04 3.65 3.67 1dlcA1 SER 183 H -0.50 0.66 -0.34 -0.55 8.46 7.74 1dlcA1 SER 183 HA -0.29 -0.03 0.43 -0.75 4.49 3.85 1dlcA1 SER 183 HB2 -0.94 0.27 0.08 -0.04 3.95 3.32 1dlcA1 SER 183 HB3 -0.44 -0.11 -0.01 -0.04 3.93 3.32 1dlcA1 PHE 184 H -0.61 0.68 -0.26 -0.55 8.34 7.60 1dlcA1 PHE 184 HA -1.11 0.09 0.77 -0.75 4.62 3.62 1dlcA1 PHE 184 HB2 0.05 0.07 0.08 -0.04 3.15 3.31 1dlcA1 PHE 184 HB3 -0.06 -0.07 0.11 -0.04 3.06 3.00 1dlcA1 PHE 184 HD2 -0.25 0.01 -0.10 -0.04 7.28 6.89 1dlcA1 PHE 184 HE2 -0.17 0.02 -0.10 -0.04 7.38 7.09 1dlcA1 PHE 184 HZ -0.24 -0.04 -0.15 -0.04 7.32 6.84 1dlcA1 ALA 185 H -0.20 0.33 -0.51 -0.55 8.40 7.47 1dlcA1 ALA 185 HA 0.02 0.09 0.52 -0.75 4.34 4.21 1dlcA1 ALA 185 HB3 -0.00 0.01 -0.06 -0.04 1.41 1.32 1dlcA1 ILE 186 H -0.02 0.15 -0.11 -0.55 8.25 7.73 1dlcA1 ILE 186 HA 0.05 0.11 0.47 -0.75 4.18 4.05 1dlcA1 ILE 186 HB 0.10 0.02 0.10 -0.04 1.89 2.07 1dlcA1 ILE 186 HG12 0.26 -0.07 -0.04 -0.04 1.49 1.60 1dlcA1 ILE 186 HG13 0.40 -0.09 -0.44 -0.04 1.21 1.04 1dlcA1 ILE 186 HG23 0.05 0.00 0.07 -0.04 0.93 1.02 1dlcA1 ILE 186 HD13 0.25 -0.02 -0.01 -0.04 0.88 1.06 1dlcA1 SER 187 H 0.07 0.14 0.18 -0.55 8.46 8.31 1dlcA1 SER 187 HA -0.03 0.00 0.41 -0.75 4.49 4.12 1dlcA1 SER 187 HB2 0.05 0.05 0.18 -0.04 3.95 4.19 1dlcA1 SER 187 HB3 0.05 -0.00 0.12 -0.04 3.93 4.06 1dlcA1 GLY 188 H -0.14 0.12 0.19 -0.55 8.43 8.05 1dlcA1 GLY 188 HA2 -0.21 0.03 0.40 -0.51 4.01 3.72 1dlcA1 GLY 188 HA3 -0.34 0.18 0.71 -0.51 4.01 4.05 1dlcA1 TYR 189 H -0.05 0.67 -0.21 -0.55 8.29 8.15 1dlcA1 TYR 189 HA -0.11 0.19 0.90 -0.75 4.56 4.78 1dlcA1 TYR 189 HB2 0.17 0.11 -0.05 -0.04 3.06 3.25 1dlcA1 TYR 189 HB3 -0.29 -0.07 0.08 -0.04 2.98 2.66 1dlcA1 TYR 189 HD2 -0.07 0.05 -0.10 -0.04 7.15 6.98 1dlcA1 TYR 189 HE2 -0.01 0.17 0.08 -0.04 6.85 7.04 1dlcA1 GLU 190 H -0.35 0.05 -0.08 -0.55 8.60 7.68 1dlcA1 GLU 190 HA -0.21 0.14 0.22 -0.75 4.29 3.69 1dlcA1 GLU 190 HB2 -1.88 -0.06 0.05 -0.04 2.09 0.16 1dlcA1 GLU 190 HB3 -2.26 0.09 -0.04 -0.04 1.99 -0.26 1dlcA1 GLU 190 HG2 -1.23 0.06 -0.03 -0.04 2.34 1.10 1dlcA1 GLU 190 HG3 -0.47 0.12 -0.15 -0.04 2.34 1.79 1dlcA1 VAL 191 H -0.19 0.08 -0.18 -0.55 8.24 7.40 1dlcA1 VAL 191 HA 0.12 0.13 0.42 -0.75 4.13 4.05 1dlcA1 VAL 191 HB 0.05 -0.02 0.00 -0.04 2.12 2.11 1dlcA1 VAL 191 HG13 0.17 0.03 -0.08 -0.04 0.97 1.05 1dlcA1 VAL 191 HG23 0.27 0.04 0.01 -0.04 0.95 1.23 1dlcA1 LEU 192 H -0.02 0.07 -0.29 -0.55 8.37 7.59 1dlcA1 LEU 192 HA 0.02 0.08 0.34 -0.75 4.35 4.03 1dlcA1 LEU 192 HB2 -0.13 0.07 0.02 -0.04 1.64 1.56 1dlcA1 LEU 192 HB3 -0.15 -0.02 -0.04 -0.04 1.64 1.39 1dlcA1 LEU 192 HG 0.00 -0.04 -0.08 -0.04 1.64 1.48 1dlcA1 LEU 192 HD13 0.10 -0.03 -0.30 -0.04 0.93 0.67 1dlcA1 LEU 192 HD23 0.01 0.01 -0.24 -0.04 0.89 0.63 1dlcA1 PHE 193 H 0.12 0.46 -0.30 -0.55 8.34 8.07 1dlcA1 PHE 193 HA 0.09 0.05 0.64 -0.75 4.62 4.64 1dlcA1 PHE 193 HB2 0.06 0.14 -0.03 -0.04 3.15 3.28 1dlcA1 PHE 193 HB3 0.18 0.05 0.16 -0.04 3.06 3.41 1dlcA1 PHE 193 HD2 0.09 -0.02 -0.13 -0.04 7.28 7.18 1dlcA1 PHE 193 HE2 0.01 -0.07 -0.02 -0.04 7.38 7.25 1dlcA1 PHE 193 HZ -0.13 0.02 -0.17 -0.04 7.32 7.01 1dlcA1 LEU 194 H 0.14 0.40 -0.51 -0.55 8.37 7.86 1dlcA1 LEU 194 HA 0.20 0.05 0.35 -0.75 4.35 4.19 1dlcA1 LEU 194 HB2 0.15 0.15 0.21 -0.04 1.64 2.11 1dlcA1 LEU 194 HB3 0.11 -0.02 0.08 -0.04 1.64 1.77 1dlcA1 LEU 194 HG 0.15 -0.04 -0.05 -0.04 1.64 1.65 1dlcA1 LEU 194 HD13 0.19 -0.01 0.02 -0.04 0.93 1.08 1dlcA1 LEU 194 HD23 0.23 0.02 -0.07 -0.04 0.89 1.03 1dlcA1 THR 195 H 0.06 0.21 -0.09 -0.55 8.28 7.91 1dlcA1 THR 195 HA -0.11 0.14 0.53 -0.75 4.39 4.20 1dlcA1 THR 195 HB -0.47 0.04 0.06 -0.04 4.32 3.91 1dlcA1 THR 195 HG23 -0.03 0.01 -0.02 -0.04 1.22 1.14 1dlcA1 THR 196 H 0.10 0.15 -0.26 -0.55 8.28 7.73 1dlcA1 THR 196 HA 0.12 0.05 0.42 -0.75 4.39 4.22 1dlcA1 THR 196 HB 0.26 0.18 0.17 -0.04 4.32 4.89 1dlcA1 THR 196 HG23 -0.10 -0.01 -0.07 -0.04 1.22 0.99 1dlcA1 TYR 197 H 0.25 0.75 0.04 -0.55 8.29 8.78 1dlcA1 TYR 197 HA -0.01 -0.02 0.42 -0.75 4.56 4.20 1dlcA1 TYR 197 HB2 0.15 0.20 0.12 -0.04 3.06 3.49 1dlcA1 TYR 197 HB3 0.15 0.06 0.12 -0.04 2.98 3.28 1dlcA1 TYR 197 HD2 0.08 0.06 -0.24 -0.04 7.15 7.01 1dlcA1 TYR 197 HE2 -0.03 0.02 -0.07 -0.04 6.85 6.73 1dlcA1 ALA 198 H 0.20 0.60 -0.14 -0.55 8.40 8.51 1dlcA1 ALA 198 HA 0.23 -0.02 0.40 -0.75 4.34 4.20 1dlcA1 ALA 198 HB3 0.05 0.03 0.20 -0.04 1.41 1.65 1dlcA1 GLN 199 H -0.07 0.55 -0.14 -0.55 8.47 8.26 1dlcA1 GLN 199 HA 0.08 0.03 0.43 -0.75 4.36 4.15 1dlcA1 GLN 199 HB2 -0.06 0.06 0.15 -0.04 2.15 2.27 1dlcA1 GLN 199 HB3 -0.17 -0.06 0.04 -0.04 2.02 1.79 1dlcA1 GLN 199 HG2 -0.56 0.23 0.18 -0.04 2.40 2.21 1dlcA1 GLN 199 HG3 -1.24 -0.09 0.03 -0.04 2.39 1.05 1dlcA1 GLN 199 HE21 -0.08 0.00 0.07 -0.04 6.97 6.91 1dlcA1 GLN 199 HE22 -0.37 0.05 0.12 -0.04 7.69 7.45 1dlcA1 ALA 200 H 0.06 0.53 -0.15 -0.55 8.40 8.30 1dlcA1 ALA 200 HA 0.43 0.02 0.49 -0.75 4.34 4.52 1dlcA1 ALA 200 HB3 -0.17 0.01 0.09 -0.04 1.41 1.30 1dlcA1 ALA 201 H -0.19 0.80 -0.03 -0.55 8.40 8.43 1dlcA1 ALA 201 HA -0.57 -0.05 0.34 -0.75 4.34 3.31 1dlcA1 ALA 201 HB3 -0.58 0.02 0.09 -0.04 1.41 0.91 1dlcA1 ASN 202 H 0.14 0.63 -0.16 -0.55 8.53 8.59 1dlcA1 ASN 202 HA 0.13 -0.01 0.32 -0.75 4.76 4.45 1dlcA1 ASN 202 HB2 0.40 0.07 0.08 -0.04 2.88 3.39 1dlcA1 ASN 202 HB3 0.29 0.10 0.13 -0.04 2.79 3.27 1dlcA1 ASN 202 HD21 0.01 -0.01 -0.11 -0.04 7.03 6.87 1dlcA1 ASN 202 HD22 0.30 0.02 -0.09 -0.04 7.74 7.93 1dlcA1 THR 203 H 0.33 0.49 -0.22 -0.55 8.28 8.34 1dlcA1 THR 203 HA 0.39 -0.01 0.36 -0.75 4.39 4.38 1dlcA1 THR 203 HB 0.46 0.11 0.18 -0.04 4.32 5.03 1dlcA1 THR 203 HG23 0.20 -0.03 -0.08 -0.04 1.22 1.28 1dlcA1 HIS 204 H -0.19 0.66 -0.09 -0.55 8.41 8.25 1dlcA1 HIS 204 HA -0.98 -0.05 0.29 -0.75 4.63 3.13 1dlcA1 HIS 204 HB2 -0.41 0.04 0.09 -0.04 3.26 2.94 1dlcA1 HIS 204 HB3 -0.15 0.14 0.14 -0.04 3.20 3.28 1dlcA1 HIS 204 HD2 -0.27 -0.07 0.09 -0.04 6.97 6.67 1dlcA1 HIS 204 HE1 0.11 -0.03 -0.07 -0.04 7.75 7.72 1dlcA1 LEU 205 H -0.09 0.63 -0.13 -0.55 8.37 8.23 1dlcA1 LEU 205 HA -0.20 -0.03 0.51 -0.75 4.35 3.88 1dlcA1 LEU 205 HB2 -0.14 0.13 0.11 -0.04 1.64 1.70 1dlcA1 LEU 205 HB3 0.03 -0.01 -0.01 -0.04 1.64 1.60 1dlcA1 LEU 205 HG -0.09 0.04 -0.02 -0.04 1.64 1.53 1dlcA1 LEU 205 HD13 -0.73 -0.00 -0.09 -0.04 0.93 0.06 1dlcA1 LEU 205 HD23 -0.23 -0.04 -0.06 -0.04 0.89 0.52 1dlcA1 PHE 206 H 0.06 0.71 -0.03 -0.55 8.34 8.52 1dlcA1 PHE 206 HA -0.60 0.04 0.45 -0.75 4.62 3.76 1dlcA1 PHE 206 HB2 -0.36 0.10 0.09 -0.04 3.15 2.93 1dlcA1 PHE 206 HB3 -0.15 0.01 0.08 -0.04 3.06 2.96 1dlcA1 PHE 206 HD2 -0.96 -0.02 -0.06 -0.04 7.28 6.21 1dlcA1 PHE 206 HE2 -0.78 0.06 -0.03 -0.04 7.38 6.59 1dlcA1 PHE 206 HZ -0.78 0.01 -0.00 -0.04 7.32 6.52 1dlcA1 LEU 207 H -0.01 0.68 -0.14 -0.55 8.37 8.36 1dlcA1 LEU 207 HA 0.08 -0.02 0.39 -0.75 4.35 4.06 1dlcA1 LEU 207 HB2 -0.15 0.22 0.09 -0.04 1.64 1.76 1dlcA1 LEU 207 HB3 -0.22 0.12 0.14 -0.04 1.64 1.65 1dlcA1 LEU 207 HG -0.31 -0.04 -0.09 -0.04 1.64 1.17 1dlcA1 LEU 207 HD13 -0.76 -0.03 -0.10 -0.04 0.93 0.00 1dlcA1 LEU 207 HD23 -0.28 -0.01 -0.00 -0.04 0.89 0.56 1dlcA1 LEU 208 H -0.12 0.55 -0.09 -0.55 8.37 8.15 1dlcA1 LEU 208 HA 0.03 -0.07 0.32 -0.75 4.35 3.86 1dlcA1 LEU 208 HB2 -0.14 0.17 0.23 -0.04 1.64 1.86 1dlcA1 LEU 208 HB3 -0.07 -0.05 -0.03 -0.04 1.64 1.46 1dlcA1 LEU 208 HG -0.14 0.05 0.07 -0.04 1.64 1.58 1dlcA1 LEU 208 HD13 -0.33 -0.02 -0.09 -0.04 0.93 0.44 1dlcA1 LEU 208 HD23 0.01 -0.02 0.02 -0.04 0.89 0.86 1dlcA1 LYS 209 H -0.14 0.52 -0.20 -0.55 8.42 8.05 1dlcA1 LYS 209 HA -0.06 -0.06 0.44 -0.75 4.32 3.89 1dlcA1 LYS 209 HB2 -0.15 -0.06 0.24 -0.04 1.87 1.86 1dlcA1 LYS 209 HB3 -0.08 0.06 0.21 -0.04 1.79 1.94 1dlcA1 LYS 209 HG2 -0.45 -0.02 0.17 -0.04 1.46 1.11 1dlcA1 LYS 209 HG3 -0.47 0.35 0.18 -0.04 1.46 1.47 1dlcA1 LYS 209 HD2 -0.39 -0.12 -0.31 -0.04 1.69 0.82 1dlcA1 LYS 209 HD3 -0.37 0.01 0.01 -0.04 1.68 1.28 1dlcA1 LYS 209 HE2 -0.61 -0.04 0.02 -0.04 2.99 2.31 1dlcA1 LYS 209 HE3 -1.00 0.05 0.08 -0.04 2.99 2.08 1dlcA1 ASP 210 H -0.05 0.56 -0.33 -0.55 8.40 8.03 1dlcA1 ASP 210 HA -0.15 0.02 0.39 -0.75 4.63 4.14 1dlcA1 ASP 210 HB2 0.35 0.30 0.18 -0.04 2.71 3.49 1dlcA1 ASP 210 HB3 0.40 -0.13 0.04 -0.04 2.70 2.97 1dlcA1 ALA 211 H -0.13 0.55 -0.25 -0.55 8.40 8.02 1dlcA1 ALA 211 HA -0.51 -0.02 0.38 -0.75 4.34 3.43 1dlcA1 ALA 211 HB3 -0.38 0.03 0.07 -0.04 1.41 1.09 1dlcA1 GLN 212 H -0.16 0.54 -0.29 -0.55 8.47 8.02 1dlcA1 GLN 212 HA -0.09 0.04 0.65 -0.75 4.36 4.19 1dlcA1 GLN 212 HB2 -0.09 0.17 0.07 -0.04 2.15 2.26 1dlcA1 GLN 212 HB3 -0.06 -0.04 0.05 -0.04 2.02 1.93 1dlcA1 GLN 212 HG2 0.04 0.07 0.02 -0.04 2.40 2.49 1dlcA1 GLN 212 HG3 0.13 -0.06 0.01 -0.04 2.39 2.43 1dlcA1 GLN 212 HE21 0.16 0.36 0.04 -0.04 6.97 7.50 1dlcA1 GLN 212 HE22 0.13 0.03 -0.16 -0.04 7.69 7.64 1dlcA1 ILE 213 H -0.34 0.26 -0.17 -0.55 8.25 7.45 1dlcA1 ILE 213 HA -0.26 0.16 0.71 -0.75 4.18 4.02 1dlcA1 ILE 213 HB -0.62 0.01 0.22 -0.04 1.89 1.46 1dlcA1 ILE 213 HG12 -1.20 0.03 -0.00 -0.04 1.49 0.28 1dlcA1 ILE 213 HG13 -0.51 0.07 -0.01 -0.04 1.21 0.72 1dlcA1 ILE 213 HG23 -0.91 -0.01 -0.09 -0.04 0.93 -0.12 1dlcA1 ILE 213 HD13 -0.62 0.01 -0.01 -0.04 0.88 0.22 1dlcA1 TYR 214 H -0.62 0.71 0.18 -0.55 8.29 8.01 1dlcA1 TYR 214 HA -0.48 0.18 0.83 -0.75 4.56 4.33 1dlcA1 TYR 214 HB2 -2.57 0.08 0.01 -0.04 3.06 0.55 1dlcA1 TYR 214 HB3 -2.21 -0.08 0.08 -0.04 2.98 0.72 1dlcA1 TYR 214 HD2 -0.18 0.02 0.02 -0.04 7.15 6.97 1dlcA1 TYR 214 HE2 0.16 0.01 -0.02 -0.04 6.85 6.96 1dlcA1 GLY 215 H -0.42 0.30 -0.32 -0.55 8.43 7.45 1dlcA1 GLY 215 HA2 0.03 -0.04 0.34 -0.51 4.01 3.83 1dlcA1 GLY 215 HA3 -0.07 0.21 0.36 -0.51 4.01 4.00 1dlcA1 GLU 216 H -0.06 0.20 -0.16 -0.55 8.60 8.04 1dlcA1 GLU 216 HA 0.08 0.10 0.52 -0.75 4.29 4.23 1dlcA1 GLU 216 HB2 0.01 0.05 0.06 -0.04 2.09 2.17 1dlcA1 GLU 216 HB3 0.04 0.02 0.02 -0.04 1.99 2.02 1dlcA1 GLU 216 HG2 0.04 0.01 -0.01 -0.04 2.34 2.33 1dlcA1 GLU 216 HG3 0.00 0.03 0.01 -0.04 2.34 2.35 1dlcA1 GLU 217 H -0.03 0.16 -0.21 -0.55 8.60 7.97 1dlcA1 GLU 217 HA 0.24 0.03 0.37 -0.75 4.29 4.17 1dlcA1 GLU 217 HB2 -0.00 0.12 0.13 -0.04 2.09 2.30 1dlcA1 GLU 217 HB3 0.83 0.00 -0.02 -0.04 1.99 2.77 1dlcA1 GLU 217 HG2 0.21 -0.03 0.05 -0.04 2.34 2.54 1dlcA1 GLU 217 HG3 0.09 -0.00 0.08 -0.04 2.34 2.47 1dlcA1 TRP 218 H -0.12 0.56 -0.19 -0.55 7.97 7.67 1dlcA1 TRP 218 HA -0.43 0.02 0.47 -0.75 4.62 3.92 1dlcA1 TRP 218 HB2 -0.22 0.09 -0.03 -0.04 3.23 3.03 1dlcA1 TRP 218 HB3 -0.46 -0.06 0.04 -0.04 3.23 2.71 1dlcA1 TRP 218 HD1 -2.25 0.01 -0.15 -0.04 7.22 4.79 1dlcA1 TRP 218 HE1 -1.86 0.02 -0.06 -0.04 10.20 8.25 1dlcA1 TRP 218 HE3 -0.09 -0.02 -0.14 -0.04 7.59 7.30 1dlcA1 TRP 218 HZ2 -0.51 0.02 -0.05 -0.04 7.44 6.86 1dlcA1 TRP 218 HZ3 -1.30 -0.03 -0.16 -0.04 7.13 5.59 1dlcA1 TRP 218 HH2 0.00 0.02 -0.11 -0.04 7.19 7.05 1dlcA1 GLY 219 H 0.14 0.35 -0.68 -0.55 8.43 7.70 1dlcA1 GLY 219 HA2 0.10 0.07 0.29 -0.51 4.01 3.96 1dlcA1 GLY 219 HA3 0.07 0.00 0.43 -0.51 4.01 4.01 1dlcA1 TYR 220 H 0.21 0.50 0.04 -0.55 8.29 8.50 1dlcA1 TYR 220 HA 0.10 0.06 0.61 -0.75 4.56 4.57 1dlcA1 TYR 220 HB2 0.11 0.21 0.05 -0.04 3.06 3.38 1dlcA1 TYR 220 HB3 0.12 -0.05 -0.11 -0.04 2.98 2.89 1dlcA1 TYR 220 HD2 0.19 -0.04 0.03 -0.04 7.15 7.29 1dlcA1 TYR 220 HE2 0.20 -0.01 -0.03 -0.04 6.85 6.97 1dlcA1 GLU 221 H 0.25 0.09 0.14 -0.55 8.60 8.54 1dlcA1 GLU 221 HA 0.09 0.17 0.42 -0.75 4.29 4.21 1dlcA1 GLU 221 HB2 0.07 -0.18 0.09 -0.04 2.09 2.03 1dlcA1 GLU 221 HB3 0.05 -0.04 0.13 -0.04 1.99 2.09 1dlcA1 GLU 221 HG2 0.12 0.05 0.12 -0.04 2.34 2.58 1dlcA1 GLU 221 HG3 0.06 0.02 0.06 -0.04 2.34 2.44 1dlcA1 LYS 222 H 0.05 0.20 0.17 -0.55 8.42 8.29 1dlcA1 LYS 222 HA 0.03 0.14 0.38 -0.75 4.32 4.12 1dlcA1 LYS 222 HB2 0.02 -0.06 0.14 -0.04 1.87 1.92 1dlcA1 LYS 222 HB3 0.01 0.05 0.01 -0.04 1.79 1.82 1dlcA1 LYS 222 HG2 0.03 0.01 0.11 -0.04 1.46 1.57 1dlcA1 LYS 222 HG3 0.02 0.03 0.06 -0.04 1.46 1.52 1dlcA1 LYS 222 HD2 0.01 -0.01 0.05 -0.04 1.69 1.69 1dlcA1 LYS 222 HD3 0.02 0.04 0.03 -0.04 1.68 1.73 1dlcA1 LYS 222 HE2 0.00 0.04 0.01 -0.04 2.99 3.01 1dlcA1 LYS 222 HE3 0.01 0.01 0.02 -0.04 2.99 3.00 1dlcA1 GLU 223 H 0.02 0.07 -0.20 -0.55 8.60 7.94 1dlcA1 GLU 223 HA -0.01 0.11 0.37 -0.75 4.29 4.01 1dlcA1 GLU 223 HB2 -0.00 -0.04 -0.01 -0.04 2.09 2.00 1dlcA1 GLU 223 HB3 -0.02 0.06 -0.04 -0.04 1.99 1.95 1dlcA1 GLU 223 HG2 -0.00 0.06 0.01 -0.04 2.34 2.37 1dlcA1 GLU 223 HG3 0.00 0.03 0.01 -0.04 2.34 2.34 1dlcA1 ASP 224 H -0.00 0.11 -0.34 -0.55 8.40 7.62 1dlcA1 ASP 224 HA -0.25 0.07 0.48 -0.75 4.63 4.18 1dlcA1 ASP 224 HB2 0.03 0.16 0.11 -0.04 2.71 2.96 1dlcA1 ASP 224 HB3 -0.35 0.06 -0.01 -0.04 2.70 2.36 1dlcA1 ILE 225 H -0.00 0.47 -0.13 -0.55 8.25 8.03 1dlcA1 ILE 225 HA 0.15 0.06 0.31 -0.75 4.18 3.95 1dlcA1 ILE 225 HB 0.02 0.07 0.08 -0.04 1.89 2.02 1dlcA1 ILE 225 HG12 0.05 0.04 -0.01 -0.04 1.49 1.53 1dlcA1 ILE 225 HG13 0.07 0.02 -0.08 -0.04 1.21 1.18 1dlcA1 ILE 225 HG23 0.00 0.03 -0.07 -0.04 0.93 0.85 1dlcA1 ILE 225 HD13 0.06 0.00 -0.21 -0.04 0.88 0.69 1dlcA1 ALA 226 H -0.00 0.38 -0.31 -0.55 8.40 7.92 1dlcA1 ALA 226 HA 0.08 0.04 0.39 -0.75 4.34 4.11 1dlcA1 ALA 226 HB3 0.02 0.03 0.07 -0.04 1.41 1.49 1dlcA1 GLU 227 H -0.08 0.46 -0.17 -0.55 8.60 8.26 1dlcA1 GLU 227 HA -0.03 0.01 0.47 -0.75 4.29 3.98 1dlcA1 GLU 227 HB2 -0.12 0.03 0.14 -0.04 2.09 2.10 1dlcA1 GLU 227 HB3 -0.32 0.10 0.18 -0.04 1.99 1.91 1dlcA1 GLU 227 HG2 -0.17 0.01 -0.17 -0.04 2.34 1.96 1dlcA1 GLU 227 HG3 -0.08 -0.04 0.05 -0.04 2.34 2.23 1dlcA1 PHE 228 H -0.07 0.55 -0.20 -0.55 8.34 8.08 1dlcA1 PHE 228 HA 0.01 0.01 0.39 -0.75 4.62 4.28 1dlcA1 PHE 228 HB2 -0.02 0.14 0.14 -0.04 3.15 3.37 1dlcA1 PHE 228 HB3 0.05 0.02 -0.01 -0.04 3.06 3.07 1dlcA1 PHE 228 HD2 -0.12 -0.02 -0.09 -0.04 7.28 7.01 1dlcA1 PHE 228 HE2 -0.51 -0.03 -0.06 -0.04 7.38 6.74 1dlcA1 PHE 228 HZ 0.16 -0.02 -0.04 -0.04 7.32 7.38 1dlcA1 TYR 229 H 0.24 0.46 -0.17 -0.55 8.29 8.27 1dlcA1 TYR 229 HA 0.04 0.05 0.40 -0.75 4.56 4.29 1dlcA1 TYR 229 HB2 0.03 0.07 0.10 -0.04 3.06 3.22 1dlcA1 TYR 229 HB3 0.02 0.06 0.17 -0.04 2.98 3.20 1dlcA1 TYR 229 HD2 0.02 0.02 -0.03 -0.04 7.15 7.11 1dlcA1 TYR 229 HE2 0.03 -0.03 -0.03 -0.04 6.85 6.79 1dlcA1 LYS 230 H 0.09 0.62 -0.03 -0.55 8.42 8.55 1dlcA1 LYS 230 HA -0.13 0.00 0.41 -0.75 4.32 3.85 1dlcA1 LYS 230 HB2 0.00 0.10 0.16 -0.04 1.87 2.09 1dlcA1 LYS 230 HB3 -0.02 -0.05 0.04 -0.04 1.79 1.72 1dlcA1 LYS 230 HG2 0.05 -0.03 0.05 -0.04 1.46 1.48 1dlcA1 LYS 230 HG3 0.09 0.14 0.09 -0.04 1.46 1.74 1dlcA1 LYS 230 HD2 0.04 -0.02 -0.00 -0.04 1.69 1.66 1dlcA1 LYS 230 HD3 0.02 -0.00 -0.00 -0.04 1.68 1.65 1dlcA1 LYS 230 HE2 -0.00 -0.00 0.00 -0.04 2.99 2.95 1dlcA1 LYS 230 HE3 0.01 -0.00 0.01 -0.04 2.99 2.97 1dlcA1 ARG 231 H 0.00 0.51 -0.33 -0.55 8.46 8.09 1dlcA1 ARG 231 HA -0.05 -0.03 0.42 -0.75 4.34 3.91 1dlcA1 ARG 231 HB2 0.02 0.01 0.11 -0.04 1.90 2.00 1dlcA1 ARG 231 HB3 0.09 0.16 0.18 -0.04 1.80 2.18 1dlcA1 ARG 231 HG2 -0.03 0.02 -0.18 -0.04 1.67 1.45 1dlcA1 ARG 231 HG3 -0.02 -0.08 0.04 -0.04 1.67 1.58 1dlcA1 ARG 231 HD2 0.20 0.01 -0.03 -0.04 3.22 3.36 1dlcA1 ARG 231 HD3 0.13 -0.01 -0.04 -0.04 3.22 3.26 1dlcA1 GLN 232 H -0.07 0.53 -0.19 -0.55 8.47 8.20 1dlcA1 GLN 232 HA -0.17 -0.01 0.38 -0.75 4.36 3.80 1dlcA1 GLN 232 HB2 -0.05 0.10 0.11 -0.04 2.15 2.27 1dlcA1 GLN 232 HB3 -0.20 0.07 0.12 -0.04 2.02 1.97 1dlcA1 GLN 232 HG2 -0.10 -0.05 -0.07 -0.04 2.40 2.14 1dlcA1 GLN 232 HG3 -0.10 -0.01 0.03 -0.04 2.39 2.27 1dlcA1 GLN 232 HE21 0.08 -0.02 -0.02 -0.04 6.97 6.96 1dlcA1 GLN 232 HE22 0.05 0.03 -0.15 -0.04 7.69 7.57 1dlcA1 LEU 233 H -0.29 0.54 -0.08 -0.55 8.37 7.99 1dlcA1 LEU 233 HA -0.15 0.04 0.44 -0.75 4.35 3.92 1dlcA1 LEU 233 HB2 -0.18 0.09 0.15 -0.04 1.64 1.66 1dlcA1 LEU 233 HB3 -0.10 -0.04 0.02 -0.04 1.64 1.48 1dlcA1 LEU 233 HG -0.80 0.15 0.04 -0.04 1.64 0.99 1dlcA1 LEU 233 HD13 -0.21 -0.03 -0.03 -0.04 0.93 0.62 1dlcA1 LEU 233 HD23 -0.15 -0.01 -0.00 -0.04 0.89 0.68 1dlcA1 LYS 234 H -0.13 0.58 -0.10 -0.55 8.42 8.22 1dlcA1 LYS 234 HA -0.08 -0.00 0.43 -0.75 4.32 3.91 1dlcA1 LYS 234 HB2 -0.07 0.06 0.14 -0.04 1.87 1.96 1dlcA1 LYS 234 HB3 -0.11 0.09 0.16 -0.04 1.79 1.90 1dlcA1 LYS 234 HG2 -0.08 -0.07 -0.06 -0.04 1.46 1.20 1dlcA1 LYS 234 HG3 -0.04 -0.03 0.04 -0.04 1.46 1.39 1dlcA1 LYS 234 HD2 -0.03 -0.04 -0.02 -0.04 1.69 1.55 1dlcA1 LYS 234 HD3 -0.04 0.00 -0.01 -0.04 1.68 1.60 1dlcA1 LYS 234 HE2 -0.09 0.10 0.00 -0.04 2.99 2.96 1dlcA1 LYS 234 HE3 -0.10 -0.05 -0.11 -0.04 2.99 2.69 1dlcA1 LEU 235 H -0.23 0.64 -0.09 -0.55 8.37 8.15 1dlcA1 LEU 235 HA -0.51 -0.06 0.45 -0.75 4.35 3.47 1dlcA1 LEU 235 HB2 -0.40 0.14 0.10 -0.04 1.64 1.45 1dlcA1 LEU 235 HB3 -1.02 -0.06 0.04 -0.04 1.64 0.56 1dlcA1 LEU 235 HG -0.22 0.14 0.10 -0.04 1.64 1.62 1dlcA1 LEU 235 HD13 -0.16 -0.01 -0.05 -0.04 0.93 0.67 1dlcA1 LEU 235 HD23 -0.34 -0.03 -0.03 -0.04 0.89 0.45 1dlcA1 THR 236 H -0.24 0.55 -0.24 -0.55 8.28 7.79 1dlcA1 THR 236 HA -0.22 0.01 0.39 -0.75 4.39 3.82 1dlcA1 THR 236 HB -0.17 0.08 0.11 -0.04 4.32 4.30 1dlcA1 THR 236 HG23 -0.22 -0.02 -0.16 -0.04 1.22 0.77 1dlcA1 GLN 237 H -0.24 0.45 -0.20 -0.55 8.47 7.92 1dlcA1 GLN 237 HA -0.74 0.01 0.51 -0.75 4.36 3.38 1dlcA1 GLN 237 HB2 0.03 0.06 0.11 -0.04 2.15 2.32 1dlcA1 GLN 237 HB3 -0.08 0.19 0.22 -0.04 2.02 2.32 1dlcA1 GLN 237 HG2 0.10 -0.16 0.05 -0.04 2.40 2.35 1dlcA1 GLN 237 HG3 0.12 0.01 0.02 -0.04 2.39 2.50 1dlcA1 GLN 237 HE21 0.03 -0.00 -0.14 -0.04 6.97 6.81 1dlcA1 GLN 237 HE22 0.02 -0.13 -0.22 -0.04 7.69 7.31 1dlcA1 GLU 238 H -0.16 0.54 0.00 -0.55 8.60 8.44 1dlcA1 GLU 238 HA 0.04 -0.03 0.36 -0.75 4.29 3.91 1dlcA1 GLU 238 HB2 -0.25 0.06 0.15 -0.04 2.09 2.00 1dlcA1 GLU 238 HB3 0.04 -0.03 -0.04 -0.04 1.99 1.91 1dlcA1 GLU 238 HG2 0.00 -0.07 0.02 -0.04 2.34 2.26 1dlcA1 GLU 238 HG3 -0.08 0.18 0.08 -0.04 2.34 2.48 1dlcA1 TYR 239 H -0.10 0.75 -0.01 -0.55 8.29 8.38 1dlcA1 TYR 239 HA 0.36 -0.01 0.44 -0.75 4.56 4.59 1dlcA1 TYR 239 HB2 -0.00 0.14 0.11 -0.04 3.06 3.27 1dlcA1 TYR 239 HB3 0.22 -0.04 0.01 -0.04 2.98 3.13 1dlcA1 TYR 239 HD2 -0.05 -0.01 -0.08 -0.04 7.15 6.97 1dlcA1 TYR 239 HE2 -0.08 -0.01 -0.04 -0.04 6.85 6.68 1dlcA1 THR 240 H 0.10 0.43 -0.31 -0.55 8.28 7.95 1dlcA1 THR 240 HA 0.18 0.03 0.38 -0.75 4.39 4.22 1dlcA1 THR 240 HB -0.29 0.05 0.25 -0.04 4.32 4.28 1dlcA1 THR 240 HG23 -0.15 -0.03 -0.09 -0.04 1.22 0.90 1dlcA1 ASP 241 H 0.02 0.68 0.04 -0.55 8.40 8.58 1dlcA1 ASP 241 HA 0.06 -0.03 0.43 -0.75 4.63 4.33 1dlcA1 ASP 241 HB2 0.07 0.15 0.19 -0.04 2.71 3.07 1dlcA1 ASP 241 HB3 0.06 -0.05 0.05 -0.04 2.70 2.71 1dlcA1 HIS 242 H 0.30 0.70 -0.19 -0.55 8.41 8.68 1dlcA1 HIS 242 HA 0.17 -0.06 0.34 -0.75 4.63 4.32 1dlcA1 HIS 242 HB2 0.24 0.01 0.09 -0.04 3.26 3.56 1dlcA1 HIS 242 HB3 0.29 0.14 0.15 -0.04 3.20 3.73 1dlcA1 HIS 242 HD2 0.25 -0.03 -0.01 -0.04 6.97 7.14 1dlcA1 HIS 242 HE1 -0.58 0.07 -0.04 -0.04 7.75 7.16 1dlcA1 CYS 243 H 0.32 0.56 -0.15 -0.55 8.50 8.69 1dlcA1 CYS 243 HA 0.22 -0.03 0.38 -0.75 4.58 4.40 1dlcA1 CYS 243 HB2 0.18 0.15 0.17 -0.04 2.97 3.44 1dlcA1 CYS 243 HB3 0.15 -0.08 0.00 -0.04 2.97 3.00 1dlcA1 VAL 244 H 0.13 0.53 -0.07 -0.55 8.24 8.28 1dlcA1 VAL 244 HA 0.17 0.03 0.44 -0.75 4.13 4.01 1dlcA1 VAL 244 HB 0.14 0.02 0.14 -0.04 2.12 2.38 1dlcA1 VAL 244 HG13 0.16 0.01 -0.04 -0.04 0.97 1.06 1dlcA1 VAL 244 HG23 0.22 0.05 -0.05 -0.04 0.95 1.14 1dlcA1 LYS 245 H -0.02 0.63 -0.06 -0.55 8.42 8.42 1dlcA1 LYS 245 HA -0.17 -0.00 0.35 -0.75 4.32 3.74 1dlcA1 LYS 245 HB2 -0.21 0.01 0.12 -0.04 1.87 1.75 1dlcA1 LYS 245 HB3 -0.43 0.16 0.19 -0.04 1.79 1.67 1dlcA1 LYS 245 HG2 -1.29 -0.04 -0.28 -0.04 1.46 -0.19 1dlcA1 LYS 245 HG3 -0.49 -0.04 0.00 -0.04 1.46 0.90 1dlcA1 LYS 245 HD2 -0.26 0.01 -0.02 -0.04 1.69 1.38 1dlcA1 LYS 245 HD3 -0.66 0.01 -0.02 -0.04 1.68 0.97 1dlcA1 LYS 245 HE2 -0.35 -0.01 -0.03 -0.04 2.99 2.56 1dlcA1 LYS 245 HE3 -0.16 -0.01 -0.03 -0.04 2.99 2.75 1dlcA1 TRP 246 H -0.14 0.58 -0.08 -0.55 7.97 7.79 1dlcA1 TRP 246 HA -0.05 -0.02 0.53 -0.75 4.62 4.32 1dlcA1 TRP 246 HB2 -0.15 0.18 0.03 -0.04 3.23 3.24 1dlcA1 TRP 246 HB3 -0.04 -0.11 -0.08 -0.04 3.23 2.95 1dlcA1 TRP 246 HD1 -1.25 0.24 0.03 -0.04 7.22 6.20 1dlcA1 TRP 246 HE1 -0.24 0.01 -0.01 -0.04 10.20 9.92 1dlcA1 TRP 246 HE3 -0.04 -0.03 0.00 -0.04 7.59 7.49 1dlcA1 TRP 246 HZ2 -0.00 0.03 -0.02 -0.04 7.44 7.40 1dlcA1 TRP 246 HZ3 -0.03 0.01 -0.02 -0.04 7.13 7.06 1dlcA1 TRP 246 HH2 -0.01 -0.01 -0.01 -0.04 7.19 7.13 1dlcA1 TYR 247 H 0.24 0.53 -0.25 -0.55 8.29 8.26 1dlcA1 TYR 247 HA 0.18 -0.01 0.46 -0.75 4.56 4.45 1dlcA1 TYR 247 HB2 0.05 0.03 0.13 -0.04 3.06 3.23 1dlcA1 TYR 247 HB3 0.05 0.13 0.28 -0.04 2.98 3.40 1dlcA1 TYR 247 HD2 -0.04 0.01 -0.01 -0.04 7.15 7.07 1dlcA1 TYR 247 HE2 -0.11 0.01 -0.05 -0.04 6.85 6.66 1dlcA1 ASN 248 H 0.07 0.66 -0.07 -0.55 8.53 8.65 1dlcA1 ASN 248 HA -0.26 -0.01 0.37 -0.75 4.76 4.11 1dlcA1 ASN 248 HB2 -0.04 0.18 0.14 -0.04 2.88 3.12 1dlcA1 ASN 248 HB3 -0.05 -0.07 0.00 -0.04 2.79 2.64 1dlcA1 ASN 248 HD21 0.13 -0.01 -0.04 -0.04 7.03 7.06 1dlcA1 ASN 248 HD22 0.05 0.01 -0.06 -0.04 7.74 7.70 1dlcA1 VAL 249 H -0.07 0.37 -0.23 -0.55 8.24 7.77 1dlcA1 VAL 249 HA -0.06 0.01 0.39 -0.75 4.13 3.70 1dlcA1 VAL 249 HB 0.22 0.08 0.19 -0.04 2.12 2.56 1dlcA1 VAL 249 HG13 0.21 -0.03 -0.09 -0.04 0.97 1.02 1dlcA1 VAL 249 HG23 -0.43 0.09 0.04 -0.04 0.95 0.61 1dlcA1 GLY 250 H 0.06 0.58 -0.18 -0.55 8.43 8.34 1dlcA1 GLY 250 HA2 -0.13 -0.03 0.32 -0.51 4.01 3.67 1dlcA1 GLY 250 HA3 -0.11 0.07 0.30 -0.51 4.01 3.76 1dlcA1 LEU 251 H -0.26 0.54 -0.10 -0.55 8.37 8.00 1dlcA1 LEU 251 HA -0.46 0.01 0.36 -0.75 4.35 3.51 1dlcA1 LEU 251 HB2 -0.50 0.08 0.07 -0.04 1.64 1.26 1dlcA1 LEU 251 HB3 -0.20 0.06 0.15 -0.04 1.64 1.61 1dlcA1 LEU 251 HG -0.02 -0.03 -0.13 -0.04 1.64 1.41 1dlcA1 LEU 251 HD13 -0.65 -0.01 0.01 -0.04 0.93 0.24 1dlcA1 LEU 251 HD23 -0.08 -0.01 -0.04 -0.04 0.89 0.72 1dlcA1 ASP 252 H -0.09 0.64 -0.08 -0.55 8.40 8.33 1dlcA1 ASP 252 HA 0.05 -0.03 0.43 -0.75 4.63 4.33 1dlcA1 ASP 252 HB2 -0.04 0.14 0.15 -0.04 2.71 2.91 1dlcA1 ASP 252 HB3 -0.03 -0.07 0.04 -0.04 2.70 2.61 1dlcA1 LYS 253 H -0.09 0.45 -0.23 -0.55 8.42 8.00 1dlcA1 LYS 253 HA -0.05 -0.02 0.45 -0.75 4.32 3.95 1dlcA1 LYS 253 HB2 -0.05 -0.00 0.12 -0.04 1.87 1.90 1dlcA1 LYS 253 HB3 -0.12 0.15 0.12 -0.04 1.79 1.91 1dlcA1 LYS 253 HG2 -0.06 0.04 -0.02 -0.04 1.46 1.39 1dlcA1 LYS 253 HG3 -0.04 -0.06 0.11 -0.04 1.46 1.43 1dlcA1 LYS 253 HD2 -0.04 0.01 -0.01 -0.04 1.69 1.60 1dlcA1 LYS 253 HD3 -0.03 -0.02 0.01 -0.04 1.68 1.60 1dlcA1 LYS 253 HE2 -0.01 -0.03 0.01 -0.04 2.99 2.92 1dlcA1 LYS 253 HE3 -0.00 0.08 -0.03 -0.04 2.99 2.99 1dlcA1 LEU 254 H -0.06 0.40 -0.41 -0.55 8.37 7.75 1dlcA1 LEU 254 HA -0.01 0.13 0.77 -0.75 4.35 4.49 1dlcA1 LEU 254 HB2 0.04 0.10 0.09 -0.04 1.64 1.83 1dlcA1 LEU 254 HB3 0.07 -0.14 0.08 -0.04 1.64 1.61 1dlcA1 LEU 254 HG -0.31 0.15 -0.05 -0.04 1.64 1.38 1dlcA1 LEU 254 HD13 -0.31 -0.03 -0.13 -0.04 0.93 0.41 1dlcA1 LEU 254 HD23 -0.07 0.00 -0.06 -0.04 0.89 0.73 1dlcA1 ARG 255 H 0.03 0.35 -0.18 -0.55 8.46 8.10 1dlcA1 ARG 255 HA -0.25 -0.07 0.47 -0.75 4.34 3.74 1dlcA1 ARG 255 HB2 -0.20 0.01 0.11 -0.04 1.90 1.78 1dlcA1 ARG 255 HB3 -0.48 -0.07 0.07 -0.04 1.80 1.28 1dlcA1 ARG 255 HG2 0.23 0.02 0.03 -0.04 1.67 1.92 1dlcA1 ARG 255 HG3 0.04 0.22 0.29 -0.04 1.67 2.18 1dlcA1 ARG 255 HD2 0.07 -0.05 0.01 -0.04 3.22 3.22 1dlcA1 ARG 255 HD3 -0.06 -0.02 0.05 -0.04 3.22 3.14 1dlcA1 GLY 256 H -0.74 0.08 0.17 -0.55 8.43 7.39 1dlcA1 GLY 256 HA2 -0.20 0.25 0.79 -0.51 4.01 4.34 1dlcA1 GLY 256 HA3 -0.08 -0.08 0.37 -0.51 4.01 3.72 1dlcA1 SER 257 H -0.05 0.04 0.25 -0.55 8.46 8.16 1dlcA1 SER 257 HA -0.08 0.22 1.03 -0.75 4.49 4.90 1dlcA1 SER 257 HB2 -0.03 0.00 0.13 -0.04 3.95 4.01 1dlcA1 SER 257 HB3 -0.08 0.09 0.02 -0.04 3.93 3.92 1dlcA1 SER 258 H 0.06 0.00 0.21 -0.55 8.46 8.19 1dlcA1 SER 258 HA 0.09 0.26 0.75 -0.75 4.49 4.84 1dlcA1 SER 258 HB2 0.09 -0.02 0.19 -0.04 3.95 4.17 1dlcA1 SER 258 HB3 0.05 0.13 0.16 -0.04 3.93 4.22 1dlcA1 TYR 259 H 0.20 0.22 0.13 -0.55 8.29 8.29 1dlcA1 TYR 259 HA 0.04 0.22 0.39 -0.75 4.56 4.45 1dlcA1 TYR 259 HB2 -0.03 0.39 -0.26 -0.04 3.06 3.11 1dlcA1 TYR 259 HB3 0.02 -0.17 0.06 -0.04 2.98 2.85 1dlcA1 TYR 259 HD2 -0.05 0.04 -0.10 -0.04 7.15 7.00 1dlcA1 TYR 259 HE2 -0.02 0.07 -0.09 -0.04 6.85 6.77 1dlcA1 GLU 260 H 0.16 0.03 -0.06 -0.55 8.60 8.18 1dlcA1 GLU 260 HA -0.06 0.15 0.45 -0.75 4.29 4.08 1dlcA1 GLU 260 HB2 0.08 -0.05 0.07 -0.04 2.09 2.14 1dlcA1 GLU 260 HB3 0.06 0.13 0.05 -0.04 1.99 2.19 1dlcA1 GLU 260 HG2 0.10 0.07 0.06 -0.04 2.34 2.53 1dlcA1 GLU 260 HG3 0.17 0.09 0.06 -0.04 2.34 2.61 1dlcA1 SER 261 H 0.11 -0.07 -0.45 -0.55 8.46 7.51 1dlcA1 SER 261 HA 0.09 0.17 0.42 -0.75 4.49 4.41 1dlcA1 SER 261 HB2 0.27 0.12 0.08 -0.04 3.95 4.38 1dlcA1 SER 261 HB3 0.21 0.17 0.02 -0.04 3.93 4.28 1dlcA1 TRP 262 H 0.25 0.32 -0.16 -0.55 7.97 7.83 1dlcA1 TRP 262 HA -0.29 0.06 0.43 -0.75 4.62 4.08 1dlcA1 TRP 262 HB2 -0.61 -0.07 0.10 -0.04 3.23 2.60 1dlcA1 TRP 262 HB3 -0.37 0.12 0.07 -0.04 3.23 3.00 1dlcA1 TRP 262 HD1 -2.02 -0.02 0.05 -0.04 7.22 5.18 1dlcA1 TRP 262 HE1 -0.25 0.04 -0.04 -0.04 10.20 9.91 1dlcA1 TRP 262 HE3 -0.29 0.04 -0.36 -0.04 7.59 6.93 1dlcA1 TRP 262 HZ2 -0.03 0.04 -0.12 -0.04 7.44 7.29 1dlcA1 TRP 262 HZ3 -0.07 0.04 -0.08 -0.04 7.13 6.98 1dlcA1 TRP 262 HH2 0.00 0.07 -0.12 -0.04 7.19 7.10 1dlcA1 VAL 263 H -0.03 0.36 -0.23 -0.55 8.24 7.78 1dlcA1 VAL 263 HA -0.07 0.05 0.40 -0.75 4.13 3.75 1dlcA1 VAL 263 HB -0.08 0.06 0.15 -0.04 2.12 2.21 1dlcA1 VAL 263 HG13 0.03 0.00 -0.03 -0.04 0.97 0.93 1dlcA1 VAL 263 HG23 -0.29 0.05 0.03 -0.04 0.95 0.70 1dlcA1 ASN 264 H -0.02 0.38 -0.15 -0.55 8.53 8.18 1dlcA1 ASN 264 HA -0.02 0.02 0.41 -0.75 4.76 4.41 1dlcA1 ASN 264 HB2 0.03 0.13 0.24 -0.04 2.88 3.25 1dlcA1 ASN 264 HB3 0.01 0.09 0.06 -0.04 2.79 2.91 1dlcA1 ASN 264 HD21 0.02 -0.10 0.01 -0.04 7.03 6.92 1dlcA1 ASN 264 HD22 0.02 -0.01 0.04 -0.04 7.74 7.75 1dlcA1 PHE 265 H 0.07 0.62 -0.00 -0.55 8.34 8.47 1dlcA1 PHE 265 HA -0.12 0.04 0.39 -0.75 4.62 4.18 1dlcA1 PHE 265 HB2 0.05 0.18 0.01 -0.04 3.15 3.35 1dlcA1 PHE 265 HB3 -0.40 -0.01 0.21 -0.04 3.06 2.82 1dlcA1 PHE 265 HD2 -0.43 0.07 -0.12 -0.04 7.28 6.76 1dlcA1 PHE 265 HE2 0.01 0.02 -0.10 -0.04 7.38 7.26 1dlcA1 PHE 265 HZ 0.12 -0.01 -0.07 -0.04 7.32 7.32 1dlcA1 ASN 266 H -0.57 0.70 -0.13 -0.55 8.53 7.99 1dlcA1 ASN 266 HA -0.48 -0.02 0.41 -0.75 4.76 3.91 1dlcA1 ASN 266 HB2 -1.91 -0.03 0.07 -0.04 2.88 0.97 1dlcA1 ASN 266 HB3 -1.02 0.09 0.07 -0.04 2.79 1.89 1dlcA1 ASN 266 HD21 0.04 0.16 -0.23 -0.04 7.03 6.96 1dlcA1 ASN 266 HD22 -0.17 -0.02 -0.26 -0.04 7.74 7.25 1dlcA1 ARG 267 H -0.19 0.57 -0.13 -0.55 8.46 8.16 1dlcA1 ARG 267 HA -0.08 0.02 0.56 -0.75 4.34 4.09 1dlcA1 ARG 267 HB2 -0.05 0.03 0.15 -0.04 1.90 1.98 1dlcA1 ARG 267 HB3 -0.03 0.11 0.20 -0.04 1.80 2.03 1dlcA1 ARG 267 HG2 -0.02 -0.04 -0.13 -0.04 1.67 1.45 1dlcA1 ARG 267 HG3 -0.03 -0.03 0.08 -0.04 1.67 1.65 1dlcA1 ARG 267 HD2 -0.00 0.02 -0.01 -0.04 3.22 3.18 1dlcA1 ARG 267 HD3 -0.01 -0.01 -0.02 -0.04 3.22 3.14 1dlcA1 TYR 268 H 0.02 0.66 -0.07 -0.55 8.29 8.36 1dlcA1 TYR 268 HA -0.06 -0.03 0.44 -0.75 4.56 4.16 1dlcA1 TYR 268 HB2 -0.08 0.04 0.08 -0.04 3.06 3.06 1dlcA1 TYR 268 HB3 -0.18 0.21 0.19 -0.04 2.98 3.16 1dlcA1 TYR 268 HD2 -0.15 0.02 -0.14 -0.04 7.15 6.85 1dlcA1 TYR 268 HE2 -0.29 0.00 -0.05 -0.04 6.85 6.47 1dlcA1 ARG 269 H -0.08 0.60 -0.03 -0.55 8.46 8.39 1dlcA1 ARG 269 HA 0.07 -0.02 0.40 -0.75 4.34 4.04 1dlcA1 ARG 269 HB2 -0.31 0.02 0.10 -0.04 1.90 1.66 1dlcA1 ARG 269 HB3 -0.24 0.07 0.19 -0.04 1.80 1.78 1dlcA1 ARG 269 HG2 -0.02 -0.01 -0.23 -0.04 1.67 1.37 1dlcA1 ARG 269 HG3 0.03 -0.04 -0.01 -0.04 1.67 1.61 1dlcA1 ARG 269 HD2 -0.14 0.04 0.01 -0.04 3.22 3.09 1dlcA1 ARG 269 HD3 -0.00 -0.01 -0.06 -0.04 3.22 3.11 1dlcA1 ARG 270 H -0.10 0.64 -0.17 -0.55 8.46 8.28 1dlcA1 ARG 270 HA -0.05 -0.00 0.46 -0.75 4.34 3.99 1dlcA1 ARG 270 HB2 -0.05 0.09 0.19 -0.04 1.90 2.09 1dlcA1 ARG 270 HB3 -0.07 0.07 0.21 -0.04 1.80 1.96 1dlcA1 ARG 270 HG2 -0.08 -0.07 -0.10 -0.04 1.67 1.39 1dlcA1 ARG 270 HG3 -0.05 -0.10 -0.05 -0.04 1.67 1.43 1dlcA1 ARG 270 HD2 -0.09 0.03 -0.06 -0.04 3.22 3.06 1dlcA1 ARG 270 HD3 -0.14 -0.03 -0.13 -0.04 3.22 2.88 1dlcA1 GLU 271 H -0.09 0.74 0.02 -0.55 8.60 8.71 1dlcA1 GLU 271 HA -0.07 0.04 0.48 -0.75 4.29 3.98 1dlcA1 GLU 271 HB2 -0.09 0.07 0.16 -0.04 2.09 2.19 1dlcA1 GLU 271 HB3 -0.06 -0.10 0.05 -0.04 1.99 1.85 1dlcA1 GLU 271 HG2 -0.06 -0.02 0.06 -0.04 2.34 2.28 1dlcA1 GLU 271 HG3 -0.06 0.26 0.16 -0.04 2.34 2.67 1dlcA1 MET 272 H -0.22 0.78 -0.12 -0.55 8.47 8.37 1dlcA1 MET 272 HA -0.14 -0.02 0.46 -0.75 4.52 4.06 1dlcA1 MET 272 HB2 -0.09 0.15 0.08 -0.04 2.15 2.25 1dlcA1 MET 272 HB3 -0.06 -0.11 0.07 -0.04 2.03 1.90 1dlcA1 MET 272 HG2 -1.01 0.28 0.07 -0.04 2.63 1.93 1dlcA1 MET 272 HG3 -0.92 -0.04 0.00 -0.04 2.56 1.56 1dlcA1 MET 272 HE3 0.01 -0.00 -0.00 -0.04 2.10 2.07 1dlcA1 THR 273 H -0.12 0.45 -0.39 -0.55 8.28 7.67 1dlcA1 THR 273 HA -0.19 -0.08 0.58 -0.75 4.39 3.95 1dlcA1 THR 273 HB -0.06 0.21 0.24 -0.04 4.32 4.68 1dlcA1 THR 273 HG23 -0.03 -0.02 -0.14 -0.04 1.22 0.99 1dlcA1 LEU 274 H -0.06 0.53 -0.01 -0.55 8.37 8.29 1dlcA1 LEU 274 HA 0.01 0.03 0.32 -0.75 4.35 3.96 1dlcA1 LEU 274 HB2 -0.02 0.05 0.13 -0.04 1.64 1.76 1dlcA1 LEU 274 HB3 0.02 0.00 0.02 -0.04 1.64 1.65 1dlcA1 LEU 274 HG -0.03 0.21 0.09 -0.04 1.64 1.87 1dlcA1 LEU 274 HD13 -0.07 -0.01 -0.01 -0.04 0.93 0.80 1dlcA1 LEU 274 HD23 0.12 -0.03 -0.07 -0.04 0.89 0.87 1dlcA1 THR 275 H -0.06 0.40 -0.16 -0.55 8.28 7.91 1dlcA1 THR 275 HA -0.04 0.23 0.95 -0.75 4.39 4.77 1dlcA1 THR 275 HB -0.12 -0.06 0.10 -0.04 4.32 4.20 1dlcA1 THR 275 HG23 0.06 -0.01 -0.03 -0.04 1.22 1.20 1dlcA1 VAL 276 H -0.10 0.32 -0.15 -0.55 8.24 7.76 1dlcA1 VAL 276 HA -0.07 0.21 1.11 -0.75 4.13 4.63 1dlcA1 VAL 276 HB -0.09 0.18 0.23 -0.04 2.12 2.40 1dlcA1 VAL 276 HG13 0.02 -0.01 -0.09 -0.04 0.97 0.85 1dlcA1 VAL 276 HG23 -0.03 -0.02 -0.17 -0.04 0.95 0.68 1dlcA1 LEU 277 H -0.18 0.57 0.33 -0.55 8.37 8.55 1dlcA1 LEU 277 HA -0.16 0.04 0.40 -0.75 4.35 3.88 1dlcA1 LEU 277 HB2 -0.21 0.01 0.21 -0.04 1.64 1.61 1dlcA1 LEU 277 HB3 -0.20 0.03 0.08 -0.04 1.64 1.50 1dlcA1 LEU 277 HG -0.48 0.08 -0.03 -0.04 1.64 1.17 1dlcA1 LEU 277 HD13 -0.75 -0.01 -0.00 -0.04 0.93 0.12 1dlcA1 LEU 277 HD23 -0.35 0.03 -0.03 -0.04 0.89 0.50 1dlcA1 ASP 278 H -0.12 0.63 -0.03 -0.55 8.40 8.34 1dlcA1 ASP 278 HA -0.14 -0.00 0.43 -0.75 4.63 4.16 1dlcA1 ASP 278 HB2 -0.08 0.13 0.02 -0.04 2.71 2.74 1dlcA1 ASP 278 HB3 -0.12 -0.02 -0.04 -0.04 2.70 2.48 1dlcA1 LEU 279 H -0.13 0.14 -0.52 -0.55 8.37 7.31 1dlcA1 LEU 279 HA -0.12 0.06 0.34 -0.75 4.35 3.88 1dlcA1 LEU 279 HB2 -0.07 0.05 -0.09 -0.04 1.64 1.48 1dlcA1 LEU 279 HB3 -0.14 0.12 0.08 -0.04 1.64 1.66 1dlcA1 LEU 279 HG 0.10 -0.05 -0.13 -0.04 1.64 1.52 1dlcA1 LEU 279 HD13 0.05 -0.00 -0.05 -0.04 0.93 0.89 1dlcA1 LEU 279 HD23 0.05 0.00 -0.08 -0.04 0.89 0.82 1dlcA1 ILE 280 H -0.34 0.56 0.00 -0.55 8.25 7.92 1dlcA1 ILE 280 HA -2.17 -0.00 0.33 -0.75 4.18 1.58 1dlcA1 ILE 280 HB -0.37 -0.07 0.10 -0.04 1.89 1.51 1dlcA1 ILE 280 HG12 -0.18 0.09 0.12 -0.04 1.49 1.48 1dlcA1 ILE 280 HG13 -0.12 0.05 -0.18 -0.04 1.21 0.92 1dlcA1 ILE 280 HG23 -0.17 0.06 0.03 -0.04 0.93 0.81 1dlcA1 ILE 280 HD13 0.02 -0.00 -0.03 -0.04 0.88 0.83 1dlcA1 ALA 281 H -0.26 0.26 -0.68 -0.55 8.40 7.17 1dlcA1 ALA 281 HA -0.08 0.23 0.37 -0.75 4.34 4.11 1dlcA1 ALA 281 HB3 -0.13 0.04 -0.09 -0.04 1.41 1.19 1dlcA1 LEU 282 H -0.29 0.47 -0.35 -0.55 8.37 7.65 1dlcA1 LEU 282 HA -0.19 0.08 0.52 -0.75 4.35 4.00 1dlcA1 LEU 282 HB2 -0.13 0.11 0.04 -0.04 1.64 1.62 1dlcA1 LEU 282 HB3 -0.11 -0.06 -0.02 -0.04 1.64 1.41 1dlcA1 LEU 282 HG -0.14 0.22 0.03 -0.04 1.64 1.71 1dlcA1 LEU 282 HD13 -0.05 -0.02 -0.08 -0.04 0.93 0.75 1dlcA1 LEU 282 HD23 -0.11 -0.01 -0.20 -0.04 0.89 0.52 1dlcA1 PHE 283 H -0.31 0.25 -0.22 -0.55 8.34 7.51 1dlcA1 PHE 283 HA -0.99 -0.01 0.25 -0.75 4.62 3.12 1dlcA1 PHE 283 HB2 -0.15 0.20 0.11 -0.04 3.15 3.27 1dlcA1 PHE 283 HB3 -0.16 -0.09 -0.02 -0.04 3.06 2.76 1dlcA1 PHE 283 HD2 -0.17 0.00 -0.00 -0.04 7.28 7.07 1dlcA1 PHE 283 HE2 0.11 -0.04 -0.13 -0.04 7.38 7.28 1dlcA1 PHE 283 HZ 0.05 0.03 -0.09 -0.04 7.32 7.27 1dlcA1 PRO 284 HA 0.08 0.01 0.40 -0.51 4.44 4.42 1dlcA1 PRO 284 HB2 -0.06 0.07 -0.08 -0.04 2.28 2.16 1dlcA1 PRO 284 HB3 0.10 -0.03 0.03 -0.04 2.02 2.08 1dlcA1 PRO 284 HG2 0.10 0.09 -0.01 -0.04 2.03 2.17 1dlcA1 PRO 284 HG3 0.28 -0.04 -0.01 -0.04 2.03 2.22 1dlcA1 PRO 284 HD2 -0.09 0.31 -0.38 -0.04 3.68 3.48 1dlcA1 PRO 284 HD3 0.04 0.18 -0.05 -0.04 3.65 3.78 1dlcA1 LEU 285 H -0.24 0.56 -0.31 -0.55 8.37 7.83 1dlcA1 LEU 285 HA -0.57 0.07 0.48 -0.75 4.35 3.57 1dlcA1 LEU 285 HB2 -0.16 0.16 0.06 -0.04 1.64 1.66 1dlcA1 LEU 285 HB3 -0.24 -0.08 0.08 -0.04 1.64 1.36 1dlcA1 LEU 285 HG -0.25 0.05 -0.01 -0.04 1.64 1.39 1dlcA1 LEU 285 HD13 -0.15 -0.01 -0.07 -0.04 0.93 0.66 1dlcA1 LEU 285 HD23 -0.65 -0.02 -0.15 -0.04 0.89 0.03 1dlcA1 TYR 286 H -0.05 0.48 -0.47 -0.55 8.29 7.70 1dlcA1 TYR 286 HA -0.03 0.15 0.59 -0.75 4.56 4.52 1dlcA1 TYR 286 HB2 0.00 0.13 0.03 -0.04 3.06 3.19 1dlcA1 TYR 286 HB3 -0.05 -0.07 0.09 -0.04 2.98 2.92 1dlcA1 TYR 286 HD2 0.01 -0.03 -0.23 -0.04 7.15 6.86 1dlcA1 TYR 286 HE2 0.08 -0.01 -0.10 -0.04 6.85 6.78 1dlcA1 ASP 287 H 0.16 0.41 -0.38 -0.55 8.40 8.04 1dlcA1 ASP 287 HA 0.19 0.05 0.69 -0.75 4.63 4.81 1dlcA1 ASP 287 HB2 0.19 0.08 0.11 -0.04 2.71 3.05 1dlcA1 ASP 287 HB3 0.33 0.08 0.23 -0.04 2.70 3.31 1dlcA1 VAL 288 H 0.08 0.33 0.07 -0.55 8.24 8.18 1dlcA1 VAL 288 HA 0.19 0.36 0.11 -0.75 4.13 4.04 1dlcA1 VAL 288 HB 0.07 0.01 0.03 -0.04 2.12 2.18 1dlcA1 VAL 288 HG13 -0.22 0.09 -0.11 -0.04 0.97 0.68 1dlcA1 VAL 288 HG23 -0.08 -0.02 -0.12 -0.04 0.95 0.69 1dlcA1 ARG 289 H 0.14 -0.04 -0.57 -0.55 8.46 7.44 1dlcA1 ARG 289 HA 0.03 0.19 0.63 -0.75 4.34 4.44 1dlcA1 ARG 289 HB2 -0.03 -0.05 -0.03 -0.04 1.90 1.75 1dlcA1 ARG 289 HB3 -0.12 0.01 -0.03 -0.04 1.80 1.62 1dlcA1 ARG 289 HG2 -0.08 0.09 -0.12 -0.04 1.67 1.52 1dlcA1 ARG 289 HG3 -0.06 -0.06 -0.06 -0.04 1.67 1.45 1dlcA1 ARG 289 HD2 -1.35 -0.03 -0.03 -0.04 3.22 1.77 1dlcA1 ARG 289 HD3 -0.47 0.00 -0.03 -0.04 3.22 2.68 1dlcA1 LEU 290 H 0.13 0.05 -0.09 -0.55 8.37 7.91 1dlcA1 LEU 290 HA -0.07 0.07 0.55 -0.75 4.35 4.14 1dlcA1 LEU 290 HB2 0.12 0.02 0.12 -0.04 1.64 1.86 1dlcA1 LEU 290 HB3 -0.38 0.04 -0.07 -0.04 1.64 1.19 1dlcA1 LEU 290 HG 0.10 -0.07 -0.01 -0.04 1.64 1.61 1dlcA1 LEU 290 HD13 0.10 0.00 -0.00 -0.04 0.93 0.98 1dlcA1 LEU 290 HD23 -0.03 0.01 0.01 -0.04 0.89 0.83 1dlcA1 TYR 291 H 0.21 0.45 -0.16 -0.55 8.29 8.24 1dlcA1 TYR 291 HA 0.07 0.14 0.78 -0.75 4.56 4.79 1dlcA1 TYR 291 HB2 0.09 0.10 0.05 -0.04 3.06 3.25 1dlcA1 TYR 291 HB3 0.08 0.03 0.09 -0.04 2.98 3.15 1dlcA1 TYR 291 HD2 0.06 0.06 -0.04 -0.04 7.15 7.20 1dlcA1 TYR 291 HE2 0.02 -0.03 -0.14 -0.04 6.85 6.66 1dlcA1 PRO 292 HA 0.22 0.24 0.53 -0.51 4.44 4.92 1dlcA1 PRO 292 HB2 -0.04 -0.04 -0.04 -0.04 2.28 2.12 1dlcA1 PRO 292 HB3 -0.04 -0.02 0.12 -0.04 2.02 2.04 1dlcA1 PRO 292 HG2 -0.02 -0.04 -0.05 -0.04 2.03 1.88 1dlcA1 PRO 292 HG3 0.02 0.24 -0.19 -0.04 2.03 2.06 1dlcA1 PRO 292 HD2 0.02 0.04 -0.03 -0.04 3.68 3.67 1dlcA1 PRO 292 HD3 -0.02 0.34 -1.07 -0.04 3.65 2.85 1dlcA1 LYS 293 H 0.15 0.10 -0.43 -0.55 8.42 7.68 1dlcA1 LYS 293 HA 0.06 0.20 0.85 -0.75 4.32 4.67 1dlcA1 LYS 293 HB2 0.10 0.01 0.01 -0.04 1.87 1.94 1dlcA1 LYS 293 HB3 0.06 0.03 0.22 -0.04 1.79 2.06 1dlcA1 LYS 293 HG2 -0.01 0.05 -0.19 -0.04 1.46 1.26 1dlcA1 LYS 293 HG3 0.04 -0.08 -0.19 -0.04 1.46 1.18 1dlcA1 LYS 293 HD2 0.06 -0.02 -0.13 -0.04 1.69 1.55 1dlcA1 LYS 293 HD3 0.02 0.07 -0.01 -0.04 1.68 1.72 1dlcA1 LYS 293 HE2 0.03 -0.07 -0.06 -0.04 2.99 2.84 1dlcA1 LYS 293 HE3 0.01 0.20 -0.02 -0.04 2.99 3.14 1dlcA1 GLU 294 H 0.11 0.07 0.16 -0.55 8.60 8.40 1dlcA1 GLU 294 HA 0.12 0.23 0.41 -0.75 4.29 4.30 1dlcA1 GLU 294 HB2 0.09 -0.12 0.02 -0.04 2.09 2.04 1dlcA1 GLU 294 HB3 0.09 0.11 0.02 -0.04 1.99 2.17 1dlcA1 GLU 294 HG2 0.14 0.10 -0.00 -0.04 2.34 2.54 1dlcA1 GLU 294 HG3 0.12 -0.04 0.11 -0.04 2.34 2.50 1dlcA1 VAL 295 H 0.07 0.52 0.15 -0.55 8.24 8.43 1dlcA1 VAL 295 HA 0.10 0.24 1.15 -0.75 4.13 4.87 1dlcA1 VAL 295 HB -0.02 -0.01 -0.09 -0.04 2.12 1.95 1dlcA1 VAL 295 HG13 -0.01 -0.02 -0.30 -0.04 0.97 0.60 1dlcA1 VAL 295 HG23 0.06 0.01 -0.13 -0.04 0.95 0.85 1dlcA1 LYS 296 H 0.08 0.68 0.33 -0.55 8.42 8.95 1dlcA1 LYS 296 HA 0.04 0.17 0.88 -0.75 4.32 4.65 1dlcA1 LYS 296 HB2 0.06 -0.06 0.07 -0.04 1.87 1.91 1dlcA1 LYS 296 HB3 0.07 -0.06 0.25 -0.04 1.79 2.01 1dlcA1 LYS 296 HG2 0.05 0.05 -0.13 -0.04 1.46 1.38 1dlcA1 LYS 296 HG3 0.05 0.04 0.08 -0.04 1.46 1.59 1dlcA1 LYS 296 HD2 0.05 -0.09 0.03 -0.04 1.69 1.63 1dlcA1 LYS 296 HD3 0.05 -0.02 0.08 -0.04 1.68 1.75 1dlcA1 LYS 296 HE2 0.06 0.04 0.02 -0.04 2.99 3.06 1dlcA1 LYS 296 HE3 0.05 -0.08 0.01 -0.04 2.99 2.93 1dlcA1 THR 297 H 0.02 0.32 0.20 -0.55 8.28 8.26 1dlcA1 THR 297 HA 0.01 0.20 0.70 -0.75 4.39 4.55 1dlcA1 THR 297 HB -0.02 0.01 -0.21 -0.04 4.32 4.05 1dlcA1 THR 297 HG23 -0.05 0.02 -0.18 -0.04 1.22 0.97 1dlcA1 GLU 298 H -0.03 0.26 0.17 -0.55 8.60 8.46 1dlcA1 GLU 298 HA -0.02 0.13 0.60 -0.75 4.29 4.25 1dlcA1 GLU 298 HB2 -0.02 -0.05 -0.29 -0.04 2.09 1.69 1dlcA1 GLU 298 HB3 0.01 0.27 -0.25 -0.04 1.99 1.98 1dlcA1 GLU 298 HG2 -0.02 0.02 -0.02 -0.04 2.34 2.28 1dlcA1 GLU 298 HG3 -0.07 -0.04 -0.21 -0.04 2.34 1.99 1dlcA1 LEU 299 H -0.04 0.14 0.07 -0.55 8.37 7.99 1dlcA1 LEU 299 HA -0.08 0.15 0.83 -0.75 4.35 4.50 1dlcA1 LEU 299 HB2 -0.30 -0.06 0.21 -0.04 1.64 1.44 1dlcA1 LEU 299 HB3 -0.14 0.03 0.12 -0.04 1.64 1.61 1dlcA1 LEU 299 HG -0.24 -0.04 -0.10 -0.04 1.64 1.22 1dlcA1 LEU 299 HD13 -0.55 0.01 -0.00 -0.04 0.93 0.34 1dlcA1 LEU 299 HD23 -0.14 0.04 -0.04 -0.04 0.89 0.70 1dlcA1 THR 300 H -0.01 0.23 0.07 -0.55 8.28 8.03 1dlcA1 THR 300 HA 0.14 0.21 0.90 -0.75 4.39 4.89 1dlcA1 THR 300 HB 0.20 0.00 0.14 -0.04 4.32 4.62 1dlcA1 THR 300 HG23 -0.14 0.01 -0.14 -0.04 1.22 0.92 1dlcA1 ARG 301 H 0.05 0.29 0.06 -0.55 8.46 8.31 1dlcA1 ARG 301 HA 0.05 -0.01 0.53 -0.75 4.34 4.17 1dlcA1 ARG 301 HB2 0.01 -0.03 0.02 -0.04 1.90 1.86 1dlcA1 ARG 301 HB3 -0.01 0.05 -0.12 -0.04 1.80 1.68 1dlcA1 ARG 301 HG2 0.07 0.10 -0.47 -0.04 1.67 1.34 1dlcA1 ARG 301 HG3 -0.01 -0.05 -0.15 -0.04 1.67 1.43 1dlcA1 ARG 301 HD2 -0.02 0.08 0.01 -0.04 3.22 3.25 1dlcA1 ARG 301 HD3 0.09 -0.08 -0.03 -0.04 3.22 3.16 1dlcA1 ASP 302 H 0.06 0.04 0.16 -0.55 8.40 8.12 1dlcA1 ASP 302 HA 0.17 0.36 0.77 -0.75 4.63 5.18 1dlcA1 ASP 302 HB2 0.09 -0.06 0.00 -0.04 2.71 2.71 1dlcA1 ASP 302 HB3 0.13 -0.03 -0.10 -0.04 2.70 2.66 1dlcA1 VAL 303 H 0.22 0.50 0.31 -0.55 8.24 8.72 1dlcA1 VAL 303 HA 0.09 0.12 0.70 -0.75 4.13 4.29 1dlcA1 VAL 303 HB 0.01 0.03 0.01 -0.04 2.12 2.12 1dlcA1 VAL 303 HG13 0.07 0.01 -0.26 -0.04 0.97 0.76 1dlcA1 VAL 303 HG23 -0.01 0.01 -0.14 -0.04 0.95 0.76 1dlcA1 LEU 304 H 0.12 0.21 0.11 -0.55 8.37 8.26 1dlcA1 LEU 304 HA 0.35 0.23 1.08 -0.75 4.35 5.25 1dlcA1 LEU 304 HB2 0.19 -0.03 0.06 -0.04 1.64 1.83 1dlcA1 LEU 304 HB3 0.34 0.11 -0.04 -0.04 1.64 2.00 1dlcA1 LEU 304 HG 0.30 -0.00 -0.09 -0.04 1.64 1.81 1dlcA1 LEU 304 HD13 0.27 -0.01 -0.19 -0.04 0.93 0.96 1dlcA1 LEU 304 HD23 0.17 0.01 -0.30 -0.04 0.89 0.73 1dlcA1 THR 305 H 0.52 0.41 0.19 -0.55 8.28 8.86 1dlcA1 THR 305 HA 0.14 0.10 0.54 -0.75 4.39 4.42 1dlcA1 THR 305 HB 0.61 0.03 0.07 -0.04 4.32 4.99 1dlcA1 THR 305 HG23 -0.20 -0.01 -0.07 -0.04 1.22 0.90 1dlcA1 ASP 306 H 0.22 0.07 0.10 -0.55 8.40 8.24 1dlcA1 ASP 306 HA 0.24 0.08 0.45 -0.75 4.63 4.65 1dlcA1 ASP 306 HB2 0.32 -0.07 0.07 -0.04 2.71 2.99 1dlcA1 ASP 306 HB3 0.28 0.09 0.02 -0.04 2.70 3.04 1dlcA1 PRO 307 HA 0.14 0.17 0.49 -0.51 4.44 4.73 1dlcA1 PRO 307 HB2 0.28 -0.07 -0.09 -0.04 2.28 2.36 1dlcA1 PRO 307 HB3 0.15 0.05 -0.06 -0.04 2.02 2.11 1dlcA1 PRO 307 HG2 0.28 -0.04 -0.01 -0.04 2.03 2.23 1dlcA1 PRO 307 HG3 0.33 0.08 -0.00 -0.04 2.03 2.40 1dlcA1 PRO 307 HD2 0.25 0.04 0.16 -0.04 3.68 4.09 1dlcA1 PRO 307 HD3 0.38 0.16 0.19 -0.04 3.65 4.34 1dlcA1 ILE 308 H -0.14 0.52 0.20 -0.55 8.25 8.28 1dlcA1 ILE 308 HA -0.19 0.13 0.65 -0.75 4.18 4.01 1dlcA1 ILE 308 HB -0.27 -0.02 0.19 -0.04 1.89 1.76 1dlcA1 ILE 308 HG12 -2.49 0.02 -0.12 -0.04 1.49 -1.14 1dlcA1 ILE 308 HG13 -0.66 0.10 0.00 -0.04 1.21 0.62 1dlcA1 ILE 308 HG23 -0.25 -0.02 -0.16 -0.04 0.93 0.46 1dlcA1 ILE 308 HD13 -0.68 -0.03 -0.10 -0.04 0.88 0.02 1dlcA1 VAL 309 H 0.11 0.32 0.09 -0.55 8.24 8.20 1dlcA1 VAL 309 HA 0.00 0.20 0.88 -0.75 4.13 4.46 1dlcA1 VAL 309 HB 0.01 -0.12 -0.03 -0.04 2.12 1.94 1dlcA1 VAL 309 HG13 0.03 -0.00 -0.30 -0.04 0.97 0.66 1dlcA1 VAL 309 HG23 0.14 0.03 -0.12 -0.04 0.95 0.96 1dlcA1 GLY 310 H 0.00 0.15 -0.02 -0.55 8.43 8.02 1dlcA1 GLY 310 HA2 0.03 0.11 0.39 -0.51 4.01 4.03 1dlcA1 GLY 310 HA3 -0.00 0.02 0.20 -0.51 4.01 3.72 1dlcA1 VAL 311 H 0.02 0.08 -0.22 -0.55 8.24 7.56 1dlcA1 VAL 311 HA 0.02 0.25 0.91 -0.75 4.13 4.56 1dlcA1 VAL 311 HB 0.01 -0.06 -0.07 -0.04 2.12 1.95 1dlcA1 VAL 311 HG13 -0.01 0.01 -0.24 -0.04 0.97 0.69 1dlcA1 VAL 311 HG23 -0.02 -0.02 -0.27 -0.04 0.95 0.61 1dlcA1 ASN 312 H 0.04 0.15 0.08 -0.55 8.53 8.25 1dlcA1 ASN 312 HA 0.07 0.17 0.39 -0.75 4.76 4.64 1dlcA1 ASN 312 HB2 0.04 -0.04 0.09 -0.04 2.88 2.93 1dlcA1 ASN 312 HB3 0.05 0.01 -0.02 -0.04 2.79 2.79 1dlcA1 ASN 312 HD21 0.03 0.04 0.00 -0.04 7.03 7.06 1dlcA1 ASN 312 HD22 0.03 -0.02 0.01 -0.04 7.74 7.72 1dlcA1 ASN 313 H 0.03 0.14 -0.12 -0.55 8.53 8.04 1dlcA1 ASN 313 HA 0.06 0.13 0.85 -0.75 4.76 5.05 1dlcA1 ASN 313 HB2 0.04 0.09 -0.06 -0.04 2.88 2.90 1dlcA1 ASN 313 HB3 0.03 0.03 0.12 -0.04 2.79 2.93 1dlcA1 ASN 313 HD21 0.02 0.01 -0.00 -0.04 7.03 7.03 1dlcA1 ASN 313 HD22 0.03 0.06 -0.00 -0.04 7.74 7.78 1dlcA1 LEU 314 H 0.06 0.18 0.03 -0.55 8.37 8.08 1dlcA1 LEU 314 HA -0.00 0.27 0.55 -0.75 4.35 4.40 1dlcA1 LEU 314 HB2 -0.04 -0.06 0.04 -0.04 1.64 1.54 1dlcA1 LEU 314 HB3 -0.04 -0.10 0.07 -0.04 1.64 1.53 1dlcA1 LEU 314 HG -0.05 0.10 -0.18 -0.04 1.64 1.47 1dlcA1 LEU 314 HD13 -0.47 0.01 -0.11 -0.04 0.93 0.32 1dlcA1 LEU 314 HD23 -0.09 0.03 -0.11 -0.04 0.89 0.68 1dlcA1 ARG 315 H 0.04 0.07 -0.39 -0.55 8.46 7.63 1dlcA1 ARG 315 HA 0.03 0.02 0.28 -0.75 4.34 3.92 1dlcA1 ARG 315 HB2 0.10 0.09 -0.21 -0.04 1.90 1.83 1dlcA1 ARG 315 HB3 0.07 0.05 0.20 -0.04 1.80 2.08 1dlcA1 ARG 315 HG2 0.03 -0.01 0.02 -0.04 1.67 1.66 1dlcA1 ARG 315 HG3 0.03 0.03 -0.09 -0.04 1.67 1.59 1dlcA1 ARG 315 HD2 0.02 0.01 -0.03 -0.04 3.22 3.17 1dlcA1 ARG 315 HD3 0.02 0.02 -0.04 -0.04 3.22 3.18 1dlcA1 GLY 316 H 0.00 -0.05 -0.24 -0.55 8.43 7.59 1dlcA1 GLY 316 HA2 -0.07 -0.07 0.32 -0.51 4.01 3.69 1dlcA1 GLY 316 HA3 -0.18 0.21 0.52 -0.51 4.01 4.05 1dlcA1 TYR 317 H 0.07 0.59 -0.31 -0.55 8.29 8.10 1dlcA1 TYR 317 HA -0.09 0.16 0.65 -0.75 4.56 4.53 1dlcA1 TYR 317 HB2 -0.14 0.11 0.10 -0.04 3.06 3.10 1dlcA1 TYR 317 HB3 -0.14 -0.07 0.12 -0.04 2.98 2.85 1dlcA1 TYR 317 HD2 -0.10 0.23 0.00 -0.04 7.15 7.24 1dlcA1 TYR 317 HE2 -0.09 -0.01 -0.00 -0.04 6.85 6.71 1dlcA1 GLY 318 H -0.08 -0.10 -0.30 -0.55 8.43 7.40 1dlcA1 GLY 318 HA2 -0.45 0.07 0.38 -0.51 4.01 3.50 1dlcA1 GLY 318 HA3 -0.50 -0.05 0.25 -0.51 4.01 3.19 1dlcA1 THR 319 H -0.26 0.11 0.12 -0.55 8.28 7.70 1dlcA1 THR 319 HA -0.07 0.05 0.43 -0.75 4.39 4.05 1dlcA1 THR 319 HB -0.16 -0.04 -0.05 -0.04 4.32 4.03 1dlcA1 THR 319 HG23 -0.15 0.05 -0.12 -0.04 1.22 0.96 1dlcA1 THR 320 H -0.03 0.11 0.16 -0.55 8.28 7.96 1dlcA1 THR 320 HA 0.06 0.05 0.44 -0.75 4.39 4.19 1dlcA1 THR 320 HB 0.05 0.07 0.17 -0.04 4.32 4.56 1dlcA1 THR 320 HG23 0.00 0.02 0.11 -0.04 1.22 1.30 1dlcA1 PHE 321 H 0.19 0.46 -0.06 -0.55 8.34 8.38 1dlcA1 PHE 321 HA -0.05 0.05 0.29 -0.75 4.62 4.16 1dlcA1 PHE 321 HB2 0.02 -0.01 -0.31 -0.04 3.15 2.81 1dlcA1 PHE 321 HB3 -0.02 -0.01 0.14 -0.04 3.06 3.13 1dlcA1 PHE 321 HD2 -0.01 -0.08 -0.34 -0.04 7.28 6.81 1dlcA1 PHE 321 HE2 -0.34 0.11 -0.06 -0.04 7.38 7.05 1dlcA1 PHE 321 HZ -1.77 0.08 -0.02 -0.04 7.32 5.58 1dlcA1 SER 322 H 0.19 0.15 -0.08 -0.55 8.46 8.17 1dlcA1 SER 322 HA 0.21 0.08 0.39 -0.75 4.49 4.42 1dlcA1 SER 322 HB2 0.08 -0.02 0.05 -0.04 3.95 4.01 1dlcA1 SER 322 HB3 0.08 0.07 0.03 -0.04 3.93 4.06 1dlcA1 ASN 323 H 0.02 0.11 -0.41 -0.55 8.53 7.70 1dlcA1 ASN 323 HA 0.24 0.14 0.49 -0.75 4.76 4.87 1dlcA1 ASN 323 HB2 -0.05 -0.06 0.07 -0.04 2.88 2.80 1dlcA1 ASN 323 HB3 -0.06 0.04 0.09 -0.04 2.79 2.82 1dlcA1 ASN 323 HD21 0.00 0.02 0.02 -0.04 7.03 7.04 1dlcA1 ASN 323 HD22 -0.02 -0.09 0.07 -0.04 7.74 7.65 1dlcA1 ILE 324 H -0.29 0.33 -0.45 -0.55 8.25 7.30 1dlcA1 ILE 324 HA -0.93 0.18 0.80 -0.75 4.18 3.47 1dlcA1 ILE 324 HB -1.50 0.02 0.13 -0.04 1.89 0.50 1dlcA1 ILE 324 HG12 -1.19 -0.01 -0.17 -0.04 1.49 0.08 1dlcA1 ILE 324 HG13 -0.59 0.15 -0.31 -0.04 1.21 0.42 1dlcA1 ILE 324 HG23 -2.10 -0.00 -0.15 -0.04 0.93 -1.36 1dlcA1 ILE 324 HD13 -0.72 -0.03 -0.14 -0.04 0.88 -0.05 1dlcA1 GLU 325 H -0.43 0.62 0.20 -0.55 8.60 8.44 1dlcA1 GLU 325 HA 0.15 0.04 0.23 -0.75 4.29 3.95 1dlcA1 GLU 325 HB2 0.01 -0.03 0.10 -0.04 2.09 2.13 1dlcA1 GLU 325 HB3 0.17 -0.03 0.04 -0.04 1.99 2.14 1dlcA1 GLU 325 HG2 0.28 -0.02 -0.04 -0.04 2.34 2.52 1dlcA1 GLU 325 HG3 0.21 0.04 -0.13 -0.04 2.34 2.42 1dlcA1 ASN 326 H 0.06 0.35 -0.20 -0.55 8.53 8.20 1dlcA1 ASN 326 HA -0.03 0.08 0.47 -0.75 4.76 4.53 1dlcA1 ASN 326 HB2 -0.05 0.24 0.09 -0.04 2.88 3.12 1dlcA1 ASN 326 HB3 -0.29 -0.04 0.08 -0.04 2.79 2.49 1dlcA1 ASN 326 HD21 0.03 -0.07 0.02 -0.04 7.03 6.97 1dlcA1 ASN 326 HD22 0.04 0.01 0.00 -0.04 7.74 7.75 1dlcA1 TYR 327 H 0.17 0.35 -0.54 -0.55 8.29 7.72 1dlcA1 TYR 327 HA 0.06 0.22 1.02 -0.75 4.56 5.11 1dlcA1 TYR 327 HB2 0.26 0.12 -0.03 -0.04 3.06 3.37 1dlcA1 TYR 327 HB3 0.09 -0.07 0.06 -0.04 2.98 3.01 1dlcA1 TYR 327 HD2 0.05 0.00 -0.09 -0.04 7.15 7.07 1dlcA1 TYR 327 HE2 0.03 -0.06 -0.03 -0.04 6.85 6.74 1dlcA1 ILE 328 H 0.14 0.21 -0.11 -0.55 8.25 7.94 1dlcA1 ILE 328 HA 0.14 -0.02 0.39 -0.75 4.18 3.94 1dlcA1 ILE 328 HB 0.15 -0.08 -0.01 -0.04 1.89 1.92 1dlcA1 ILE 328 HG12 0.15 0.20 -0.00 -0.04 1.49 1.80 1dlcA1 ILE 328 HG13 0.12 0.13 -0.38 -0.04 1.21 1.05 1dlcA1 ILE 328 HG23 0.18 0.04 -0.14 -0.04 0.93 0.98 1dlcA1 ILE 328 HD13 0.27 -0.04 -0.09 -0.04 0.88 0.98 1dlcA1 ARG 329 H -0.04 -0.00 0.02 -0.55 8.46 7.88 1dlcA1 ARG 329 HA -0.10 0.02 0.30 -0.75 4.34 3.82 1dlcA1 ARG 329 HB2 -0.11 -0.07 -0.01 -0.04 1.90 1.67 1dlcA1 ARG 329 HB3 -0.21 0.12 -0.11 -0.04 1.80 1.56 1dlcA1 ARG 329 HG2 -0.56 0.00 0.00 -0.04 1.67 1.07 1dlcA1 ARG 329 HG3 -0.70 -0.07 -0.06 -0.04 1.67 0.80 1dlcA1 ARG 329 HD2 -0.62 0.07 -0.05 -0.04 3.22 2.57 1dlcA1 ARG 329 HD3 -1.37 -0.02 -0.06 -0.04 3.22 1.74 1dlcA1 LYS 330 H 0.00 0.06 0.08 -0.55 8.42 8.01 1dlcA1 LYS 330 HA 0.06 0.15 0.63 -0.75 4.32 4.40 1dlcA1 LYS 330 HB2 0.03 -0.05 0.04 -0.04 1.87 1.85 1dlcA1 LYS 330 HB3 0.04 0.03 0.05 -0.04 1.79 1.87 1dlcA1 LYS 330 HG2 0.03 0.00 -0.03 -0.04 1.46 1.42 1dlcA1 LYS 330 HG3 0.01 0.12 -0.08 -0.04 1.46 1.48 1dlcA1 LYS 330 HD2 0.01 -0.04 -0.00 -0.04 1.69 1.62 1dlcA1 LYS 330 HD3 0.02 -0.04 0.01 -0.04 1.68 1.62 1dlcA1 LYS 330 HE2 -0.02 -0.09 0.01 -0.04 2.99 2.85 1dlcA1 LYS 330 HE3 -0.01 -0.03 -0.00 -0.04 2.99 2.91 1dlcA1 PRO 331 HA -0.03 -0.04 0.29 -0.51 4.44 4.16 1dlcA1 PRO 331 HB2 0.03 0.20 -0.10 -0.04 2.28 2.36 1dlcA1 PRO 331 HB3 0.01 -0.02 -0.40 -0.04 2.02 1.57 1dlcA1 PRO 331 HG2 0.03 -0.07 0.01 -0.04 2.03 1.96 1dlcA1 PRO 331 HG3 0.03 -0.00 -0.02 -0.04 2.03 2.00 1dlcA1 PRO 331 HD2 0.04 0.10 0.14 -0.04 3.68 3.92 1dlcA1 PRO 331 HD3 0.05 0.16 0.15 -0.04 3.65 3.97 1dlcA1 HIS 332 H -0.31 0.16 0.15 -0.55 8.41 7.85 1dlcA1 HIS 332 HA 0.00 0.06 0.78 -0.75 4.63 4.72 1dlcA1 HIS 332 HB2 -0.03 -0.00 0.02 -0.04 3.26 3.21 1dlcA1 HIS 332 HB3 -0.04 0.09 -0.14 -0.04 3.20 3.06 1dlcA1 HIS 332 HD2 -0.08 0.22 -0.21 -0.04 6.97 6.86 1dlcA1 HIS 332 HE1 -0.31 -0.06 -0.09 -0.04 7.75 7.25 1dlcA1 LEU 333 H 0.11 0.06 0.10 -0.55 8.37 8.09 1dlcA1 LEU 333 HA 0.06 0.02 0.45 -0.75 4.35 4.12 1dlcA1 LEU 333 HB2 0.09 -0.13 0.11 -0.04 1.64 1.67 1dlcA1 LEU 333 HB3 0.12 0.15 -0.04 -0.04 1.64 1.83 1dlcA1 LEU 333 HG 0.08 0.42 -0.11 -0.04 1.64 2.00 1dlcA1 LEU 333 HD13 0.04 -0.04 -0.07 -0.04 0.93 0.81 1dlcA1 LEU 333 HD23 0.05 -0.04 -0.26 -0.04 0.89 0.60 1dlcA1 PHE 334 H 0.20 0.71 0.33 -0.55 8.34 9.02 1dlcA1 PHE 334 HA 0.01 0.02 0.45 -0.75 4.62 4.35 1dlcA1 PHE 334 HB2 -0.03 -0.05 0.02 -0.04 3.15 3.05 1dlcA1 PHE 334 HB3 -0.00 -0.01 0.06 -0.04 3.06 3.07 1dlcA1 PHE 334 HD2 -0.25 -0.02 -0.13 -0.04 7.28 6.84 1dlcA1 PHE 334 HE2 -0.43 0.01 -0.04 -0.04 7.38 6.88 1dlcA1 PHE 334 HZ -0.00 -0.03 -0.02 -0.04 7.32 7.23 1dlcA1 ASP 335 H -0.73 0.18 0.18 -0.55 8.40 7.49 1dlcA1 ASP 335 HA 0.09 0.16 0.50 -0.75 4.63 4.62 1dlcA1 ASP 335 HB2 0.08 0.12 -0.04 -0.04 2.71 2.83 1dlcA1 ASP 335 HB3 0.06 0.04 -0.22 -0.04 2.70 2.54 1dlcA1 TYR 336 H 0.28 0.69 0.31 -0.55 8.29 9.01 1dlcA1 TYR 336 HA 0.06 0.18 1.04 -0.75 4.56 5.08 1dlcA1 TYR 336 HB2 0.12 -0.05 0.03 -0.04 3.06 3.12 1dlcA1 TYR 336 HB3 0.10 0.03 0.06 -0.04 2.98 3.13 1dlcA1 TYR 336 HD2 0.27 0.13 -0.11 -0.04 7.15 7.40 1dlcA1 TYR 336 HE2 0.36 0.01 -0.14 -0.04 6.85 7.04 1dlcA1 LEU 337 H 0.09 0.23 0.25 -0.55 8.37 8.39 1dlcA1 LEU 337 HA 0.01 0.08 0.50 -0.75 4.35 4.20 1dlcA1 LEU 337 HB2 -0.12 0.24 0.13 -0.04 1.64 1.85 1dlcA1 LEU 337 HB3 -0.19 -0.04 0.08 -0.04 1.64 1.45 1dlcA1 LEU 337 HG -0.31 -0.07 -0.37 -0.04 1.64 0.85 1dlcA1 LEU 337 HD13 -1.01 -0.03 -0.21 -0.04 0.93 -0.36 1dlcA1 LEU 337 HD23 -0.15 -0.01 -0.08 -0.04 0.89 0.61 1dlcA1 HIS 338 H 0.13 0.60 0.58 -0.55 8.41 9.18 1dlcA1 HIS 338 HA 0.10 0.13 1.06 -0.75 4.63 5.17 1dlcA1 HIS 338 HB2 0.07 -0.01 -0.11 -0.04 3.26 3.17 1dlcA1 HIS 338 HB3 0.05 0.03 -0.21 -0.04 3.20 3.02 1dlcA1 HIS 338 HD2 0.01 0.03 0.02 -0.04 6.97 6.99 1dlcA1 HIS 338 HE1 -0.00 -0.00 -0.02 -0.04 7.75 7.67 1dlcA1 ARG 339 H 0.13 0.53 0.43 -0.55 8.46 9.00 1dlcA1 ARG 339 HA 0.13 0.21 0.80 -0.75 4.34 4.73 1dlcA1 ARG 339 HB2 0.01 0.04 -0.19 -0.04 1.90 1.73 1dlcA1 ARG 339 HB3 0.11 -0.05 -0.02 -0.04 1.80 1.79 1dlcA1 ARG 339 HG2 0.03 -0.05 -0.22 -0.04 1.67 1.39 1dlcA1 ARG 339 HG3 -0.00 0.13 0.07 -0.04 1.67 1.83 1dlcA1 ARG 339 HD2 0.00 -0.01 -0.11 -0.04 3.22 3.05 1dlcA1 ARG 339 HD3 -0.04 -0.02 -0.08 -0.04 3.22 3.05 1dlcA1 ILE 340 H 0.09 0.58 0.33 -0.55 8.25 8.70 1dlcA1 ILE 340 HA -0.04 0.27 0.97 -0.75 4.18 4.63 1dlcA1 ILE 340 HB 0.12 -0.07 0.09 -0.04 1.89 1.98 1dlcA1 ILE 340 HG12 -0.14 0.10 -0.02 -0.04 1.49 1.38 1dlcA1 ILE 340 HG13 0.09 -0.09 -0.48 -0.04 1.21 0.68 1dlcA1 ILE 340 HG23 -0.62 0.01 -0.09 -0.04 0.93 0.20 1dlcA1 ILE 340 HD13 -0.29 -0.01 -0.15 -0.04 0.88 0.39 1dlcA1 GLN 341 H 0.02 0.56 0.25 -0.55 8.47 8.75 1dlcA1 GLN 341 HA 0.14 0.30 1.21 -0.75 4.36 5.25 1dlcA1 GLN 341 HB2 0.15 -0.01 -0.03 -0.04 2.15 2.22 1dlcA1 GLN 341 HB3 0.38 -0.09 0.18 -0.04 2.02 2.45 1dlcA1 GLN 341 HG2 0.44 -0.01 -0.30 -0.04 2.40 2.49 1dlcA1 GLN 341 HG3 0.15 0.07 -0.10 -0.04 2.39 2.47 1dlcA1 GLN 341 HE21 0.02 -0.00 -0.07 -0.04 6.97 6.88 1dlcA1 GLN 341 HE22 0.06 0.00 -0.09 -0.04 7.69 7.62 1dlcA1 PHE 342 H 0.35 0.68 0.30 -0.55 8.34 9.12 1dlcA1 PHE 342 HA 0.08 0.15 0.75 -0.75 4.62 4.84 1dlcA1 PHE 342 HB2 -0.10 -0.02 0.17 -0.04 3.15 3.16 1dlcA1 PHE 342 HB3 -0.68 0.02 -0.02 -0.04 3.06 2.33 1dlcA1 PHE 342 HD2 -1.60 0.09 -0.07 -0.04 7.28 5.66 1dlcA1 PHE 342 HE2 -1.14 -0.01 -0.11 -0.04 7.38 6.09 1dlcA1 PHE 342 HZ 0.03 -0.00 -0.12 -0.04 7.32 7.19 1dlcA1 HIS 343 H 0.54 0.55 0.38 -0.55 8.41 9.33 1dlcA1 HIS 343 HA 0.19 0.12 0.90 -0.75 4.63 5.09 1dlcA1 HIS 343 HB2 0.29 0.02 0.03 -0.04 3.26 3.57 1dlcA1 HIS 343 HB3 0.20 0.08 -0.12 -0.04 3.20 3.32 1dlcA1 HIS 343 HD2 0.27 0.16 -0.48 -0.04 6.97 6.88 1dlcA1 HIS 343 HE1 0.02 0.01 -0.04 -0.04 7.75 7.69 1dlcA1 THR 344 H 0.13 0.22 0.11 -0.55 8.28 8.18 1dlcA1 THR 344 HA 0.14 0.30 1.16 -0.75 4.39 5.24 1dlcA1 THR 344 HB 0.10 -0.02 -0.02 -0.04 4.32 4.34 1dlcA1 THR 344 HG23 0.09 0.04 -0.06 -0.04 1.22 1.26 1dlcA1 ARG 345 H -0.31 0.65 0.39 -0.55 8.46 8.64 1dlcA1 ARG 345 HA -0.05 0.02 0.86 -0.75 4.34 4.43 1dlcA1 ARG 345 HB2 -0.69 0.03 -0.02 -0.04 1.90 1.18 1dlcA1 ARG 345 HB3 -0.15 0.10 0.02 -0.04 1.80 1.73 1dlcA1 ARG 345 HG2 -0.01 -0.09 0.08 -0.04 1.67 1.60 1dlcA1 ARG 345 HG3 -0.04 0.01 -0.31 -0.04 1.67 1.29 1dlcA1 ARG 345 HD2 0.04 -0.03 -0.10 -0.04 3.22 3.09 1dlcA1 ARG 345 HD3 0.02 -0.00 -0.03 -0.04 3.22 3.16 1dlcA1 PHE 346 H 0.10 0.15 0.14 -0.55 8.34 8.19 1dlcA1 PHE 346 HA -0.06 0.15 0.91 -0.75 4.62 4.86 1dlcA1 PHE 346 HB2 -0.03 -0.00 -0.01 -0.04 3.15 3.07 1dlcA1 PHE 346 HB3 -0.03 -0.01 0.10 -0.04 3.06 3.08 1dlcA1 PHE 346 HD2 -0.01 -0.00 -0.15 -0.04 7.28 7.07 1dlcA1 PHE 346 HE2 0.02 -0.02 -0.13 -0.04 7.38 7.20 1dlcA1 PHE 346 HZ 0.02 -0.05 -0.04 -0.04 7.32 7.20 1dlcA1 GLN 347 H -0.55 0.87 0.32 -0.55 8.47 8.56 1dlcA1 GLN 347 HA -0.48 0.21 0.93 -0.75 4.36 4.26 1dlcA1 GLN 347 HB2 -0.41 -0.02 -0.12 -0.04 2.15 1.55 1dlcA1 GLN 347 HB3 -1.39 0.06 0.06 -0.04 2.02 0.72 1dlcA1 GLN 347 HG2 -0.48 -0.07 -0.16 -0.04 2.40 1.64 1dlcA1 GLN 347 HG3 -0.45 -0.02 -0.32 -0.04 2.39 1.57 1dlcA1 GLN 347 HE21 -1.43 -0.08 -0.00 -0.04 6.97 5.42 1dlcA1 GLN 347 HE22 -0.40 0.30 -0.07 -0.04 7.69 7.48 1dlcA1 PRO 348 HA -0.35 -0.01 0.60 -0.51 4.44 4.18 1dlcA1 PRO 348 HB2 0.18 0.07 -0.06 -0.04 2.28 2.42 1dlcA1 PRO 348 HB3 0.12 0.01 0.04 -0.04 2.02 2.15 1dlcA1 PRO 348 HG2 0.13 0.00 0.05 -0.04 2.03 2.17 1dlcA1 PRO 348 HG3 0.04 0.05 0.02 -0.04 2.03 2.09 1dlcA1 PRO 348 HD2 -0.40 0.13 0.22 -0.04 3.68 3.59 1dlcA1 PRO 348 HD3 -0.48 0.18 -0.06 -0.04 3.65 3.26 1dlcA1 GLY 349 H 0.08 0.09 0.10 -0.55 8.43 8.16 1dlcA1 GLY 349 HA2 0.38 0.24 0.65 -0.51 4.01 4.77 1dlcA1 GLY 349 HA3 0.13 -0.08 -0.02 -0.51 4.01 3.54 1dlcA1 TYR 350 H -0.58 0.22 0.02 -0.55 8.29 7.40 1dlcA1 TYR 350 HA -1.41 0.12 0.31 -0.75 4.56 2.83 1dlcA1 TYR 350 HB2 -1.40 0.02 0.16 -0.04 3.06 1.79 1dlcA1 TYR 350 HB3 -0.70 0.01 0.10 -0.04 2.98 2.35 1dlcA1 TYR 350 HD2 -1.39 0.01 -0.00 -0.04 7.15 5.72 1dlcA1 TYR 350 HE2 -0.27 0.01 0.02 -0.04 6.85 6.56 1dlcA1 TYR 351 H -0.06 -0.01 -0.33 -0.55 8.29 7.35 1dlcA1 TYR 351 HA -0.23 0.32 0.91 -0.75 4.56 4.80 1dlcA1 TYR 351 HB2 -0.03 -0.05 0.06 -0.04 3.06 2.99 1dlcA1 TYR 351 HB3 -0.05 0.02 0.20 -0.04 2.98 3.11 1dlcA1 TYR 351 HD2 -0.03 -0.00 0.01 -0.04 7.15 7.09 1dlcA1 TYR 351 HE2 0.05 0.03 -0.01 -0.04 6.85 6.88 1dlcA1 GLY 352 H -0.07 0.54 -0.35 -0.55 8.43 8.00 1dlcA1 GLY 352 HA2 0.07 0.05 0.38 -0.51 4.01 4.00 1dlcA1 GLY 352 HA3 0.03 0.16 0.42 -0.51 4.01 4.11 1dlcA1 ASN 353 H 0.08 0.59 -0.36 -0.55 8.53 8.29 1dlcA1 ASN 353 HA 0.08 0.11 0.46 -0.75 4.76 4.64 1dlcA1 ASN 353 HB2 0.05 0.02 0.04 -0.04 2.88 2.95 1dlcA1 ASN 353 HB3 0.05 0.04 0.12 -0.04 2.79 2.95 1dlcA1 ASN 353 HD21 0.01 -0.03 0.05 -0.04 7.03 7.02 1dlcA1 ASN 353 HD22 0.02 0.01 0.06 -0.04 7.74 7.78 1dlcA1 ASP 354 H 0.12 -0.10 -0.48 -0.55 8.40 7.40 1dlcA1 ASP 354 HA 0.14 0.28 0.77 -0.75 4.63 5.07 1dlcA1 ASP 354 HB2 0.17 0.09 0.21 -0.04 2.71 3.14 1dlcA1 ASP 354 HB3 0.13 0.02 0.01 -0.04 2.70 2.82 1dlcA1 SER 355 H 0.18 0.27 -0.40 -0.55 8.46 7.97 1dlcA1 SER 355 HA 0.13 0.15 0.47 -0.75 4.49 4.49 1dlcA1 SER 355 HB2 0.35 0.04 0.01 -0.04 3.95 4.30 1dlcA1 SER 355 HB3 0.20 0.12 0.10 -0.04 3.93 4.31 1dlcA1 PHE 356 H -0.21 0.64 0.27 -0.55 8.34 8.49 1dlcA1 PHE 356 HA 0.16 -0.01 0.23 -0.75 4.62 4.26 1dlcA1 PHE 356 HB2 0.12 0.29 0.21 -0.04 3.15 3.73 1dlcA1 PHE 356 HB3 0.10 0.06 -0.15 -0.04 3.06 3.03 1dlcA1 PHE 356 HD2 0.14 0.23 -0.33 -0.04 7.28 7.28 1dlcA1 PHE 356 HE2 0.08 -0.07 -0.26 -0.04 7.38 7.08 1dlcA1 PHE 356 HZ -0.05 -0.08 -0.38 -0.04 7.32 6.77 1dlcA1 ASN 357 H 0.31 0.50 0.21 -0.55 8.53 9.01 1dlcA1 ASN 357 HA 0.11 0.18 1.05 -0.75 4.76 5.34 1dlcA1 ASN 357 HB2 0.15 -0.19 0.02 -0.04 2.88 2.82 1dlcA1 ASN 357 HB3 0.12 0.02 0.06 -0.04 2.79 2.94 1dlcA1 ASN 357 HD21 0.07 -0.04 -0.10 -0.04 7.03 6.92 1dlcA1 ASN 357 HD22 0.07 0.27 -0.02 -0.04 7.74 8.02 1dlcA1 TYR 358 H -0.13 0.59 0.35 -0.55 8.29 8.54 1dlcA1 TYR 358 HA 0.36 0.19 0.69 -0.75 4.56 5.03 1dlcA1 TYR 358 HB2 0.32 -0.07 -0.07 -0.04 3.06 3.19 1dlcA1 TYR 358 HB3 0.44 0.06 -0.48 -0.04 2.98 2.96 1dlcA1 TYR 358 HD2 -0.08 0.14 -0.36 -0.04 7.15 6.81 1dlcA1 TYR 358 HE2 -0.09 0.04 -0.28 -0.04 6.85 6.47 1dlcA1 TRP 359 H 0.63 0.71 0.29 -0.55 7.97 9.06 1dlcA1 TRP 359 HA 0.11 0.14 0.65 -0.75 4.62 4.76 1dlcA1 TRP 359 HB2 0.08 -0.01 0.08 -0.04 3.23 3.34 1dlcA1 TRP 359 HB3 0.13 -0.04 0.24 -0.04 3.23 3.51 1dlcA1 TRP 359 HD1 0.00 0.22 0.25 -0.04 7.22 7.64 1dlcA1 TRP 359 HE1 -0.26 0.25 -0.01 -0.04 10.20 10.14 1dlcA1 TRP 359 HE3 0.04 -0.01 -0.07 -0.04 7.59 7.52 1dlcA1 TRP 359 HZ2 -0.49 0.01 -0.19 -0.04 7.44 6.73 1dlcA1 TRP 359 HZ3 0.01 -0.01 -0.12 -0.04 7.13 6.97 1dlcA1 TRP 359 HH2 -0.07 -0.02 -0.15 -0.04 7.19 6.91 1dlcA1 SER 360 H 0.28 0.62 0.45 -0.55 8.46 9.26 1dlcA1 SER 360 HA 0.16 0.11 0.86 -0.75 4.49 4.87 1dlcA1 SER 360 HB2 0.07 -0.07 -0.04 -0.04 3.95 3.87 1dlcA1 SER 360 HB3 -0.21 -0.06 -0.09 -0.04 3.93 3.52 1dlcA1 GLY 361 H 0.26 0.29 0.28 -0.55 8.43 8.70 1dlcA1 GLY 361 HA2 -0.38 0.07 0.54 -0.51 4.01 3.73 1dlcA1 GLY 361 HA3 -0.22 0.08 0.37 -0.51 4.01 3.72 1dlcA1 ASN 362 H -0.87 0.67 0.39 -0.55 8.53 8.18 1dlcA1 ASN 362 HA 0.07 0.30 0.71 -0.75 4.76 5.08 1dlcA1 ASN 362 HB2 -0.03 0.02 0.08 -0.04 2.88 2.91 1dlcA1 ASN 362 HB3 0.32 -0.02 -0.42 -0.04 2.79 2.62 1dlcA1 ASN 362 HD21 -0.29 -0.16 -0.19 -0.04 7.03 6.34 1dlcA1 ASN 362 HD22 -0.38 -0.02 -0.25 -0.04 7.74 7.04 1dlcA1 TYR 363 H 0.08 0.34 0.38 -0.55 8.29 8.54 1dlcA1 TYR 363 HA -0.15 0.28 0.77 -0.75 4.56 4.71 1dlcA1 TYR 363 HB2 0.08 -0.09 0.12 -0.04 3.06 3.12 1dlcA1 TYR 363 HB3 0.00 0.04 -0.03 -0.04 2.98 2.96 1dlcA1 TYR 363 HD2 0.14 0.13 -0.09 -0.04 7.15 7.29 1dlcA1 TYR 363 HE2 0.06 -0.02 -0.07 -0.04 6.85 6.77 1dlcA1 VAL 364 H 0.04 0.31 0.25 -0.55 8.24 8.28 1dlcA1 VAL 364 HA -0.07 0.23 1.05 -0.75 4.13 4.58 1dlcA1 VAL 364 HB -0.42 -0.00 0.14 -0.04 2.12 1.80 1dlcA1 VAL 364 HG13 -0.36 -0.02 0.10 -0.04 0.97 0.65 1dlcA1 VAL 364 HG23 -0.30 0.05 -0.07 -0.04 0.95 0.59 1dlcA1 SER 365 H 0.00 0.65 0.42 -0.55 8.46 8.98 1dlcA1 SER 365 HA 0.04 0.40 1.16 -0.75 4.49 5.33 1dlcA1 SER 365 HB2 0.10 -0.13 0.11 -0.04 3.95 3.99 1dlcA1 SER 365 HB3 0.09 0.06 -0.04 -0.04 3.93 4.00 1dlcA1 THR 366 H 0.06 0.66 0.37 -0.55 8.28 8.83 1dlcA1 THR 366 HA 0.13 0.13 1.17 -0.75 4.39 5.07 1dlcA1 THR 366 HB 0.09 0.08 0.01 -0.04 4.32 4.46 1dlcA1 THR 366 HG23 0.11 -0.04 -0.23 -0.04 1.22 1.02 1dlcA1 ARG 367 H 0.17 0.50 0.28 -0.55 8.46 8.85 1dlcA1 ARG 367 HA -0.02 0.15 0.91 -0.75 4.34 4.62 1dlcA1 ARG 367 HB2 -0.03 0.09 0.06 -0.04 1.90 1.97 1dlcA1 ARG 367 HB3 -0.24 -0.12 0.01 -0.04 1.80 1.42 1dlcA1 ARG 367 HG2 0.17 -0.06 -0.01 -0.04 1.67 1.73 1dlcA1 ARG 367 HG3 0.27 0.03 0.03 -0.04 1.67 1.96 1dlcA1 ARG 367 HD2 -0.00 -0.09 -0.02 -0.04 3.22 3.07 1dlcA1 ARG 367 HD3 -0.13 -0.07 -0.03 -0.04 3.22 2.94 1dlcA1 PRO 368 HA 0.18 0.13 0.60 -0.51 4.44 4.85 1dlcA1 PRO 368 HB2 0.15 0.09 0.16 -0.04 2.28 2.64 1dlcA1 PRO 368 HB3 0.12 -0.01 0.12 -0.04 2.02 2.21 1dlcA1 PRO 368 HG2 0.06 0.21 -0.19 -0.04 2.03 2.07 1dlcA1 PRO 368 HG3 0.06 -0.05 -0.07 -0.04 2.03 1.93 1dlcA1 PRO 368 HD2 0.02 -0.00 -0.05 -0.04 3.68 3.60 1dlcA1 PRO 368 HD3 0.05 0.19 0.10 -0.04 3.65 3.94 1dlcA1 SER 369 H 0.22 0.18 0.17 -0.55 8.46 8.48 1dlcA1 SER 369 HA 0.41 0.00 0.50 -0.75 4.49 4.65 1dlcA1 SER 369 HB2 0.25 0.11 0.10 -0.04 3.95 4.36 1dlcA1 SER 369 HB3 0.19 -0.01 -0.11 -0.04 3.93 3.96 1dlcA1 ILE 370 H -0.50 0.19 0.16 -0.55 8.25 7.55 1dlcA1 ILE 370 HA -0.30 -0.02 0.36 -0.75 4.18 3.45 1dlcA1 ILE 370 HB -1.38 0.10 0.13 -0.04 1.89 0.69 1dlcA1 ILE 370 HG12 -0.77 -0.02 -0.19 -0.04 1.49 0.46 1dlcA1 ILE 370 HG13 -0.36 -0.11 0.03 -0.04 1.21 0.73 1dlcA1 ILE 370 HG23 -0.15 -0.00 -0.07 -0.04 0.93 0.67 1dlcA1 ILE 370 HD13 -0.01 0.02 -0.06 -0.04 0.88 0.78 1dlcA1 GLY 371 H -0.42 0.10 0.09 -0.55 8.43 7.66 1dlcA1 GLY 371 HA2 -0.71 -0.06 0.31 -0.51 4.01 3.03 1dlcA1 GLY 371 HA3 -0.63 0.18 0.84 -0.51 4.01 3.88 1dlcA1 SER 372 H -0.24 0.55 -0.07 -0.55 8.46 8.15 1dlcA1 SER 372 HA -0.22 0.09 0.88 -0.75 4.49 4.49 1dlcA1 SER 372 HB2 -0.01 0.02 -0.05 -0.04 3.95 3.87 1dlcA1 SER 372 HB3 0.03 0.14 0.04 -0.04 3.93 4.11 1dlcA1 ASN 373 H -0.06 0.07 0.14 -0.55 8.53 8.13 1dlcA1 ASN 373 HA -0.04 0.32 0.98 -0.75 4.76 5.27 1dlcA1 ASN 373 HB2 -0.04 -0.02 0.03 -0.04 2.88 2.80 1dlcA1 ASN 373 HB3 -0.04 -0.01 0.09 -0.04 2.79 2.79 1dlcA1 ASN 373 HD21 -0.03 -0.02 -0.10 -0.04 7.03 6.84 1dlcA1 ASN 373 HD22 -0.02 0.03 0.01 -0.04 7.74 7.71 1dlcA1 ASP 374 H -0.01 0.02 0.06 -0.55 8.40 7.92 1dlcA1 ASP 374 HA -0.03 0.03 0.59 -0.75 4.63 4.47 1dlcA1 ASP 374 HB2 0.00 0.08 0.03 -0.04 2.71 2.78 1dlcA1 ASP 374 HB3 -0.00 -0.05 0.10 -0.04 2.70 2.71 1dlcA1 ILE 375 H -0.05 0.07 0.24 -0.55 8.25 7.96 1dlcA1 ILE 375 HA -0.07 0.18 0.63 -0.75 4.18 4.17 1dlcA1 ILE 375 HB -0.05 -0.08 0.10 -0.04 1.89 1.82 1dlcA1 ILE 375 HG12 -0.13 0.04 0.15 -0.04 1.49 1.51 1dlcA1 ILE 375 HG13 -0.21 -0.07 0.01 -0.04 1.21 0.90 1dlcA1 ILE 375 HG23 -0.05 0.01 -0.22 -0.04 0.93 0.63 1dlcA1 ILE 375 HD13 -0.50 0.00 -0.08 -0.04 0.88 0.26 1dlcA1 ILE 376 H 0.01 0.67 0.37 -0.55 8.25 8.74 1dlcA1 ILE 376 HA 0.02 0.09 0.78 -0.75 4.18 4.32 1dlcA1 ILE 376 HB 0.05 -0.05 0.16 -0.04 1.89 2.01 1dlcA1 ILE 376 HG12 0.04 -0.02 -0.04 -0.04 1.49 1.43 1dlcA1 ILE 376 HG13 0.03 0.10 0.02 -0.04 1.21 1.32 1dlcA1 ILE 376 HG23 0.04 -0.00 -0.14 -0.04 0.93 0.79 1dlcA1 ILE 376 HD13 0.05 -0.00 -0.07 -0.04 0.88 0.81 1dlcA1 THR 377 H 0.02 0.20 0.20 -0.55 8.28 8.15 1dlcA1 THR 377 HA 0.03 0.23 1.29 -0.75 4.39 5.20 1dlcA1 THR 377 HB -0.02 -0.02 0.11 -0.04 4.32 4.35 1dlcA1 THR 377 HG23 -0.03 0.05 -0.05 -0.04 1.22 1.14 1dlcA1 SER 378 H 0.06 0.65 0.40 -0.55 8.46 9.02 1dlcA1 SER 378 HA 0.06 0.08 0.56 -0.75 4.49 4.43 1dlcA1 SER 378 HB2 0.09 0.06 0.18 -0.04 3.95 4.24 1dlcA1 SER 378 HB3 0.17 -0.02 0.19 -0.04 3.93 4.23 1dlcA1 PRO 379 HA -0.01 0.04 0.50 -0.51 4.44 4.46 1dlcA1 PRO 379 HB2 -0.31 0.11 0.00 -0.04 2.28 2.05 1dlcA1 PRO 379 HB3 -0.07 -0.02 0.16 -0.04 2.02 2.05 1dlcA1 PRO 379 HG2 0.01 0.05 0.09 -0.04 2.03 2.14 1dlcA1 PRO 379 HG3 -0.01 0.03 0.10 -0.04 2.03 2.11 1dlcA1 PRO 379 HD2 -0.12 0.11 0.19 -0.04 3.68 3.81 1dlcA1 PRO 379 HD3 0.03 0.11 0.24 -0.04 3.65 3.99 1dlcA1 PHE 380 H -0.03 0.04 0.17 -0.55 8.34 7.97 1dlcA1 PHE 380 HA -0.94 0.18 0.68 -0.75 4.62 3.79 1dlcA1 PHE 380 HB2 -0.53 -0.03 0.08 -0.04 3.15 2.64 1dlcA1 PHE 380 HB3 -0.31 -0.04 0.09 -0.04 3.06 2.75 1dlcA1 PHE 380 HD2 -1.26 -0.00 -0.22 -0.04 7.28 5.76 1dlcA1 PHE 380 HE2 -0.92 -0.00 -0.58 -0.04 7.38 5.84 1dlcA1 PHE 380 HZ -0.52 0.11 -0.61 -0.04 7.32 6.25 1dlcA1 TYR 381 H -1.39 0.61 0.37 -0.55 8.29 7.33 1dlcA1 TYR 381 HA -0.49 0.18 1.01 -0.75 4.56 4.51 1dlcA1 TYR 381 HB2 -0.61 -0.12 0.23 -0.04 3.06 2.51 1dlcA1 TYR 381 HB3 -0.57 0.19 0.18 -0.04 2.98 2.73 1dlcA1 TYR 381 HD2 -0.34 -0.02 0.00 -0.04 7.15 6.75 1dlcA1 TYR 381 HE2 -0.10 -0.01 0.01 -0.04 6.85 6.71 1dlcA1 GLY 382 H -0.26 0.15 0.16 -0.55 8.43 7.93 1dlcA1 GLY 382 HA2 -0.18 -0.02 0.25 -0.51 4.01 3.55 1dlcA1 GLY 382 HA3 -0.30 0.16 0.74 -0.51 4.01 4.10 1dlcA1 ASN 383 H -0.01 0.64 0.05 -0.55 8.53 8.65 1dlcA1 ASN 383 HA 0.15 0.14 0.95 -0.75 4.76 5.25 1dlcA1 ASN 383 HB2 0.07 0.02 0.01 -0.04 2.88 2.94 1dlcA1 ASN 383 HB3 0.07 0.11 -0.15 -0.04 2.79 2.78 1dlcA1 ASN 383 HD21 0.02 -0.01 -0.05 -0.04 7.03 6.95 1dlcA1 ASN 383 HD22 0.06 0.01 -0.08 -0.04 7.74 7.69 1dlcA1 LYS 384 H 0.02 0.10 0.05 -0.55 8.42 8.04 1dlcA1 LYS 384 HA -0.17 0.01 0.23 -0.75 4.32 3.63 1dlcA1 LYS 384 HB2 -0.05 -0.00 0.00 -0.04 1.87 1.78 1dlcA1 LYS 384 HB3 -0.06 0.05 0.03 -0.04 1.79 1.78 1dlcA1 LYS 384 HG2 -0.31 -0.01 0.04 -0.04 1.46 1.14 1dlcA1 LYS 384 HG3 -0.20 0.01 0.01 -0.04 1.46 1.25 1dlcA1 LYS 384 HD2 -0.37 0.00 0.00 -0.04 1.69 1.29 1dlcA1 LYS 384 HD3 -1.58 -0.00 -0.08 -0.04 1.68 -0.03 1dlcA1 LYS 384 HE2 -0.63 0.02 -0.03 -0.04 2.99 2.30 1dlcA1 LYS 384 HE3 -0.28 -0.00 -0.01 -0.04 2.99 2.66 1dlcA1 SER 385 H 0.46 0.06 0.12 -0.55 8.46 8.55 1dlcA1 SER 385 HA 0.14 0.11 0.44 -0.75 4.49 4.43 1dlcA1 SER 385 HB2 -0.09 -0.07 0.20 -0.04 3.95 3.94 1dlcA1 SER 385 HB3 -0.02 0.09 0.11 -0.04 3.93 4.07 1dlcA1 SER 386 H 0.03 0.55 0.48 -0.55 8.46 8.97 1dlcA1 SER 386 HA 0.02 0.13 0.81 -0.75 4.49 4.70 1dlcA1 SER 386 HB2 0.03 -0.02 0.16 -0.04 3.95 4.08 1dlcA1 SER 386 HB3 0.02 0.03 0.15 -0.04 3.93 4.10 1dlcA1 GLU 387 H 0.02 0.32 0.28 -0.55 8.60 8.68 1dlcA1 GLU 387 HA -0.00 0.19 0.78 -0.75 4.29 4.50 1dlcA1 GLU 387 HB2 0.04 -0.06 -0.04 -0.04 2.09 1.98 1dlcA1 GLU 387 HB3 0.01 0.09 0.09 -0.04 1.99 2.14 1dlcA1 GLU 387 HG2 0.03 -0.10 -0.35 -0.04 2.34 1.87 1dlcA1 GLU 387 HG3 0.04 0.04 -0.20 -0.04 2.34 2.18 1dlcA1 PRO 388 HA -0.03 0.00 0.54 -0.51 4.44 4.45 1dlcA1 PRO 388 HB2 -0.01 0.03 0.08 -0.04 2.28 2.33 1dlcA1 PRO 388 HB3 -0.02 0.03 0.08 -0.04 2.02 2.07 1dlcA1 PRO 388 HG2 -0.02 0.03 0.07 -0.04 2.03 2.06 1dlcA1 PRO 388 HG3 -0.02 0.04 0.05 -0.04 2.03 2.06 1dlcA1 PRO 388 HD2 -0.01 0.11 0.17 -0.04 3.68 3.91 1dlcA1 PRO 388 HD3 -0.01 0.12 0.18 -0.04 3.65 3.90 1dlcA1 VAL 389 H -0.06 0.06 0.20 -0.55 8.24 7.89 1dlcA1 VAL 389 HA -0.07 0.16 0.52 -0.75 4.13 3.99 1dlcA1 VAL 389 HB -0.06 -0.06 0.12 -0.04 2.12 2.07 1dlcA1 VAL 389 HG13 -0.02 0.01 -0.19 -0.04 0.97 0.72 1dlcA1 VAL 389 HG23 -0.38 0.01 0.07 -0.04 0.95 0.62 1dlcA1 GLN 390 H 0.10 0.54 0.32 -0.55 8.47 8.88 1dlcA1 GLN 390 HA 0.03 0.17 0.94 -0.75 4.36 4.75 1dlcA1 GLN 390 HB2 0.20 -0.08 0.13 -0.04 2.15 2.36 1dlcA1 GLN 390 HB3 0.04 -0.01 0.01 -0.04 2.02 2.03 1dlcA1 GLN 390 HG2 -0.01 0.02 0.02 -0.04 2.40 2.39 1dlcA1 GLN 390 HG3 0.05 0.16 -0.26 -0.04 2.39 2.30 1dlcA1 GLN 390 HE21 -0.28 0.54 0.06 -0.04 6.97 7.24 1dlcA1 GLN 390 HE22 -0.01 0.07 -0.05 -0.04 7.69 7.66 1dlcA1 ASN 391 H 0.02 0.23 0.17 -0.55 8.53 8.40 1dlcA1 ASN 391 HA 0.11 0.38 1.23 -0.75 4.76 5.73 1dlcA1 ASN 391 HB2 -0.01 -0.02 0.08 -0.04 2.88 2.89 1dlcA1 ASN 391 HB3 0.00 0.02 -0.04 -0.04 2.79 2.73 1dlcA1 ASN 391 HD21 0.01 -0.00 -0.12 -0.04 7.03 6.88 1dlcA1 ASN 391 HD22 -0.00 0.00 -0.07 -0.04 7.74 7.62 1dlcA1 LEU 392 H 0.07 0.56 0.33 -0.55 8.37 8.78 1dlcA1 LEU 392 HA -0.20 0.16 0.93 -0.75 4.35 4.49 1dlcA1 LEU 392 HB2 -0.01 -0.05 0.08 -0.04 1.64 1.62 1dlcA1 LEU 392 HB3 -0.51 0.06 -0.02 -0.04 1.64 1.13 1dlcA1 LEU 392 HG 0.05 -0.04 -0.23 -0.04 1.64 1.39 1dlcA1 LEU 392 HD13 0.05 -0.01 -0.26 -0.04 0.93 0.66 1dlcA1 LEU 392 HD23 -0.10 0.08 -0.09 -0.04 0.89 0.74 1dlcA1 GLU 393 H -0.38 0.19 0.16 -0.55 8.60 8.03 1dlcA1 GLU 393 HA -0.29 0.22 1.10 -0.75 4.29 4.57 1dlcA1 GLU 393 HB2 -0.22 -0.00 0.11 -0.04 2.09 1.93 1dlcA1 GLU 393 HB3 -0.25 -0.04 0.06 -0.04 1.99 1.72 1dlcA1 GLU 393 HG2 -0.14 0.01 0.02 -0.04 2.34 2.19 1dlcA1 GLU 393 HG3 -0.13 0.04 -0.02 -0.04 2.34 2.18 1dlcA1 PHE 394 H -0.18 0.65 0.28 -0.55 8.34 8.54 1dlcA1 PHE 394 HA -0.11 0.19 0.89 -0.75 4.62 4.83 1dlcA1 PHE 394 HB2 -0.11 0.14 -0.18 -0.04 3.15 2.96 1dlcA1 PHE 394 HB3 -0.08 0.04 0.02 -0.04 3.06 3.00 1dlcA1 PHE 394 HD2 -0.12 0.01 -0.38 -0.04 7.28 6.75 1dlcA1 PHE 394 HE2 -0.23 -0.03 -0.21 -0.04 7.38 6.87 1dlcA1 PHE 394 HZ -0.70 -0.04 -0.18 -0.04 7.32 6.36 1dlcA1 ASN 395 H -0.27 0.05 0.10 -0.55 8.53 7.87 1dlcA1 ASN 395 HA -0.08 0.03 0.39 -0.75 4.76 4.35 1dlcA1 ASN 395 HB2 -0.08 -0.00 0.14 -0.04 2.88 2.89 1dlcA1 ASN 395 HB3 -0.02 0.04 0.08 -0.04 2.79 2.85 1dlcA1 ASN 395 HD21 -0.30 -0.00 0.05 -0.04 7.03 6.73 1dlcA1 ASN 395 HD22 -0.06 0.05 0.08 -0.04 7.74 7.77 1dlcA1 GLY 396 H -0.04 0.16 0.13 -0.55 8.43 8.13 1dlcA1 GLY 396 HA2 -0.17 -0.01 0.41 -0.51 4.01 3.73 1dlcA1 GLY 396 HA3 -0.08 0.04 0.57 -0.51 4.01 4.03 1dlcA1 GLU 397 H 0.03 0.70 -0.27 -0.55 8.60 8.51 1dlcA1 GLU 397 HA 0.06 0.04 0.60 -0.75 4.29 4.23 1dlcA1 GLU 397 HB2 0.19 0.01 0.02 -0.04 2.09 2.27 1dlcA1 GLU 397 HB3 0.13 -0.13 -0.11 -0.04 1.99 1.84 1dlcA1 GLU 397 HG2 0.01 0.16 -0.21 -0.04 2.34 2.25 1dlcA1 GLU 397 HG3 0.02 -0.04 -0.11 -0.04 2.34 2.17 1dlcA1 LYS 398 H 0.17 0.54 0.35 -0.55 8.42 8.93 1dlcA1 LYS 398 HA 0.13 0.21 0.98 -0.75 4.32 4.89 1dlcA1 LYS 398 HB2 0.27 -0.03 0.25 -0.04 1.87 2.31 1dlcA1 LYS 398 HB3 0.22 0.03 -0.01 -0.04 1.79 2.00 1dlcA1 LYS 398 HG2 0.21 0.05 -0.04 -0.04 1.46 1.64 1dlcA1 LYS 398 HG3 0.16 0.05 -0.12 -0.04 1.46 1.51 1dlcA1 LYS 398 HD2 0.35 -0.06 0.03 -0.04 1.69 1.96 1dlcA1 LYS 398 HD3 0.37 0.06 -0.01 -0.04 1.68 2.05 1dlcA1 LYS 398 HE2 0.19 0.04 0.01 -0.04 2.99 3.20 1dlcA1 LYS 398 HE3 0.14 -0.03 0.04 -0.04 2.99 3.10 1dlcA1 VAL 399 H 0.03 0.25 0.13 -0.55 8.24 8.10 1dlcA1 VAL 399 HA 0.05 0.24 0.80 -0.75 4.13 4.46 1dlcA1 VAL 399 HB -0.15 -0.09 0.25 -0.04 2.12 2.08 1dlcA1 VAL 399 HG13 0.12 -0.02 -0.05 -0.04 0.97 0.98 1dlcA1 VAL 399 HG23 -0.33 0.02 -0.10 -0.04 0.95 0.50 1dlcA1 TYR 400 H -0.18 0.46 0.40 -0.55 8.29 8.42 1dlcA1 TYR 400 HA 0.05 0.36 1.01 -0.75 4.56 5.23 1dlcA1 TYR 400 HB2 -0.50 -0.03 0.14 -0.04 3.06 2.63 1dlcA1 TYR 400 HB3 -1.24 0.05 -0.04 -0.04 2.98 1.71 1dlcA1 TYR 400 HD2 -0.04 0.09 -0.09 -0.04 7.15 7.07 1dlcA1 TYR 400 HE2 0.10 -0.01 -0.37 -0.04 6.85 6.53 1dlcA1 ARG 401 H -0.05 0.28 0.14 -0.55 8.46 8.28 1dlcA1 ARG 401 HA 0.24 0.11 0.51 -0.75 4.34 4.45 1dlcA1 ARG 401 HB2 -0.06 0.13 -0.29 -0.04 1.90 1.64 1dlcA1 ARG 401 HB3 -0.16 -0.08 0.01 -0.04 1.80 1.53 1dlcA1 ARG 401 HG2 0.07 -0.08 -0.01 -0.04 1.67 1.60 1dlcA1 ARG 401 HG3 0.05 0.03 0.12 -0.04 1.67 1.82 1dlcA1 ARG 401 HD2 0.07 0.03 -0.04 -0.04 3.22 3.23 1dlcA1 ARG 401 HD3 0.02 -0.01 -0.08 -0.04 3.22 3.11 1dlcA1 ALA 402 H 0.29 0.16 0.16 -0.55 8.40 8.47 1dlcA1 ALA 402 HA 0.04 0.32 0.75 -0.75 4.34 4.69 1dlcA1 ALA 402 HB3 0.44 0.02 -0.04 -0.04 1.41 1.79 1dlcA1 VAL 403 H 0.01 0.59 0.31 -0.55 8.24 8.60 1dlcA1 VAL 403 HA 0.28 0.29 1.18 -0.75 4.13 5.13 1dlcA1 VAL 403 HB 0.05 -0.03 0.15 -0.04 2.12 2.25 1dlcA1 VAL 403 HG13 0.09 0.01 -0.03 -0.04 0.97 0.99 1dlcA1 VAL 403 HG23 0.06 -0.02 -0.08 -0.04 0.95 0.87 1dlcA1 ALA 404 H 0.34 0.78 0.42 -0.55 8.40 9.40 1dlcA1 ALA 404 HA 0.08 0.31 1.34 -0.75 4.34 5.32 1dlcA1 ALA 404 HB3 0.10 0.00 0.03 -0.04 1.41 1.51 1dlcA1 ASN 405 H 0.09 0.69 0.45 -0.55 8.53 9.22 1dlcA1 ASN 405 HA 0.07 0.19 0.89 -0.75 4.76 5.15 1dlcA1 ASN 405 HB2 0.06 -0.22 0.13 -0.04 2.88 2.81 1dlcA1 ASN 405 HB3 0.04 0.36 -0.18 -0.04 2.79 2.96 1dlcA1 ASN 405 HD21 0.02 -0.08 -0.13 -0.04 7.03 6.80 1dlcA1 ASN 405 HD22 0.02 0.37 -0.48 -0.04 7.74 7.61 1dlcA1 THR 406 H 0.04 0.58 0.38 -0.55 8.28 8.73 1dlcA1 THR 406 HA 0.05 0.15 1.12 -0.75 4.39 4.95 1dlcA1 THR 406 HB 0.01 -0.02 0.06 -0.04 4.32 4.33 1dlcA1 THR 406 HG23 0.07 -0.03 -0.42 -0.04 1.22 0.79 1dlcA1 ASN 407 H -0.17 0.50 0.41 -0.55 8.53 8.72 1dlcA1 ASN 407 HA -0.21 0.10 0.71 -0.75 4.76 4.61 1dlcA1 ASN 407 HB2 -0.29 0.07 -0.25 -0.04 2.88 2.37 1dlcA1 ASN 407 HB3 -1.35 0.01 -0.05 -0.04 2.79 1.36 1dlcA1 ASN 407 HD21 -0.03 -0.11 -0.05 -0.04 7.03 6.79 1dlcA1 ASN 407 HD22 -0.09 0.50 -0.02 -0.04 7.74 8.09 1dlcA1 LEU 408 H -0.23 0.23 0.21 -0.55 8.37 8.04 1dlcA1 LEU 408 HA -0.06 0.36 1.02 -0.75 4.35 4.92 1dlcA1 LEU 408 HB2 0.03 0.02 -0.04 -0.04 1.64 1.60 1dlcA1 LEU 408 HB3 -0.04 -0.03 -0.22 -0.04 1.64 1.31 1dlcA1 LEU 408 HG -0.02 -0.04 0.02 -0.04 1.64 1.56 1dlcA1 LEU 408 HD13 0.05 -0.01 -0.29 -0.04 0.93 0.64 1dlcA1 LEU 408 HD23 0.00 0.01 -0.11 -0.04 0.89 0.75 1dlcA1 ALA 409 H 0.30 0.70 0.36 -0.55 8.40 9.21 1dlcA1 ALA 409 HA 0.26 0.13 0.92 -0.75 4.34 4.90 1dlcA1 ALA 409 HB3 0.51 0.00 0.04 -0.04 1.41 1.92 1dlcA1 VAL 410 H 0.22 0.17 0.12 -0.55 8.24 8.20 1dlcA1 VAL 410 HA 0.20 0.16 1.06 -0.75 4.13 4.80 1dlcA1 VAL 410 HB 0.12 -0.05 0.19 -0.04 2.12 2.35 1dlcA1 VAL 410 HG13 0.08 0.01 -0.10 -0.04 0.97 0.92 1dlcA1 VAL 410 HG23 0.08 -0.00 -0.05 -0.04 0.95 0.94 1dlcA1 TRP 411 H 0.40 0.72 0.38 -0.55 7.97 8.92 1dlcA1 TRP 411 HA -0.08 0.08 0.83 -0.75 4.62 4.70 1dlcA1 TRP 411 HB2 0.10 0.11 0.06 -0.04 3.23 3.45 1dlcA1 TRP 411 HB3 -0.04 -0.06 0.05 -0.04 3.23 3.15 1dlcA1 TRP 411 HD1 0.20 -0.09 -0.47 -0.04 7.22 6.83 1dlcA1 TRP 411 HE1 -0.04 0.26 0.08 -0.04 10.20 10.47 1dlcA1 TRP 411 HE3 0.10 -0.04 -0.02 -0.04 7.59 7.59 1dlcA1 TRP 411 HZ2 -0.19 0.13 -0.30 -0.04 7.44 7.04 1dlcA1 TRP 411 HZ3 0.08 -0.00 -0.04 -0.04 7.13 7.13 1dlcA1 TRP 411 HH2 -0.06 0.00 -0.09 -0.04 7.19 6.99 1dlcA1 PRO 412 HA -0.09 0.07 0.34 -0.51 4.44 4.24 1dlcA1 PRO 412 HB2 -0.11 -0.00 0.07 -0.04 2.28 2.20 1dlcA1 PRO 412 HB3 -0.15 0.04 0.08 -0.04 2.02 1.95 1dlcA1 PRO 412 HG2 -0.94 0.06 0.09 -0.04 2.03 1.20 1dlcA1 PRO 412 HG3 -0.79 0.05 0.11 -0.04 2.03 1.36 1dlcA1 PRO 412 HD2 -0.18 0.10 0.17 -0.04 3.68 3.72 1dlcA1 PRO 412 HD3 -1.09 0.09 0.26 -0.04 3.65 2.88 1dlcA1 SER 413 H 0.07 0.06 -0.26 -0.55 8.46 7.78 1dlcA1 SER 413 HA 0.01 0.21 0.78 -0.75 4.49 4.73 1dlcA1 SER 413 HB2 0.01 0.01 0.19 -0.04 3.95 4.12 1dlcA1 SER 413 HB3 0.01 0.04 -0.05 -0.04 3.93 3.89 1dlcA1 ALA 414 H 0.05 0.52 -0.14 -0.55 8.40 8.28 1dlcA1 ALA 414 HA -0.21 0.10 0.53 -0.75 4.34 4.00 1dlcA1 ALA 414 HB3 -0.38 0.04 -0.10 -0.04 1.41 0.93 1dlcA1 VAL 415 H -0.43 0.29 0.18 -0.55 8.24 7.73 1dlcA1 VAL 415 HA -0.02 0.22 1.07 -0.75 4.13 4.64 1dlcA1 VAL 415 HB -0.13 -0.02 0.09 -0.04 2.12 2.01 1dlcA1 VAL 415 HG13 -0.01 -0.00 -0.17 -0.04 0.97 0.74 1dlcA1 VAL 415 HG23 -0.01 -0.02 -0.12 -0.04 0.95 0.77 1dlcA1 TYR 416 H 0.15 0.62 0.34 -0.55 8.29 8.85 1dlcA1 TYR 416 HA -0.18 0.21 1.01 -0.75 4.56 4.85 1dlcA1 TYR 416 HB2 -0.06 -0.06 0.14 -0.04 3.06 3.04 1dlcA1 TYR 416 HB3 -0.21 0.08 0.04 -0.04 2.98 2.86 1dlcA1 TYR 416 HD2 -0.47 0.13 0.00 -0.04 7.15 6.77 1dlcA1 TYR 416 HE2 -1.03 -0.01 -0.05 -0.04 6.85 5.71 1dlcA1 SER 417 H -0.02 0.29 0.19 -0.55 8.46 8.37 1dlcA1 SER 417 HA 0.12 0.34 1.02 -0.75 4.49 5.21 1dlcA1 SER 417 HB2 -0.02 -0.02 0.06 -0.04 3.95 3.92 1dlcA1 SER 417 HB3 -0.01 -0.00 -0.13 -0.04 3.93 3.75 1dlcA1 GLY 418 H 0.02 0.51 0.37 -0.55 8.43 8.77 1dlcA1 GLY 418 HA2 0.04 0.18 0.73 -0.51 4.01 4.44 1dlcA1 GLY 418 HA3 0.15 0.06 0.33 -0.51 4.01 4.05 1dlcA1 VAL 419 H 0.23 0.27 0.25 -0.55 8.24 8.44 1dlcA1 VAL 419 HA 0.17 0.21 0.88 -0.75 4.13 4.64 1dlcA1 VAL 419 HB 0.41 -0.02 0.23 -0.04 2.12 2.70 1dlcA1 VAL 419 HG13 0.31 -0.01 -0.08 -0.04 0.97 1.16 1dlcA1 VAL 419 HG23 0.05 0.01 0.04 -0.04 0.95 1.00 1dlcA1 THR 420 H 0.18 0.47 0.27 -0.55 8.28 8.64 1dlcA1 THR 420 HA 0.35 0.13 0.87 -0.75 4.39 4.99 1dlcA1 THR 420 HB 0.15 -0.13 0.02 -0.04 4.32 4.31 1dlcA1 THR 420 HG23 0.21 0.13 -0.07 -0.04 1.22 1.46 1dlcA1 LYS 421 H 0.15 0.31 0.22 -0.55 8.42 8.54 1dlcA1 LYS 421 HA -0.06 0.23 0.75 -0.75 4.32 4.48 1dlcA1 LYS 421 HB2 -0.03 -0.03 -0.18 -0.04 1.87 1.60 1dlcA1 LYS 421 HB3 0.02 -0.06 0.05 -0.04 1.79 1.76 1dlcA1 LYS 421 HG2 -0.06 0.01 -0.08 -0.04 1.46 1.29 1dlcA1 LYS 421 HG3 -0.11 0.02 0.12 -0.04 1.46 1.45 1dlcA1 LYS 421 HD2 -0.03 -0.02 -0.07 -0.04 1.69 1.53 1dlcA1 LYS 421 HD3 -0.01 -0.03 -0.11 -0.04 1.68 1.49 1dlcA1 LYS 421 HE2 -0.02 -0.01 -0.09 -0.04 2.99 2.84 1dlcA1 LYS 421 HE3 -0.04 0.00 -0.12 -0.04 2.99 2.79 1dlcA1 VAL 422 H -0.01 0.52 0.25 -0.55 8.24 8.45 1dlcA1 VAL 422 HA -0.07 0.30 1.02 -0.75 4.13 4.63 1dlcA1 VAL 422 HB -0.24 -0.06 0.08 -0.04 2.12 1.87 1dlcA1 VAL 422 HG13 -0.56 0.00 -0.20 -0.04 0.97 0.17 1dlcA1 VAL 422 HG23 0.14 0.01 -0.26 -0.04 0.95 0.79 1dlcA1 GLU 423 H -0.13 0.72 0.32 -0.55 8.60 8.97 1dlcA1 GLU 423 HA -0.07 0.17 1.09 -0.75 4.29 4.72 1dlcA1 GLU 423 HB2 -0.03 -0.01 0.01 -0.04 2.09 2.01 1dlcA1 GLU 423 HB3 -0.03 -0.04 0.19 -0.04 1.99 2.08 1dlcA1 GLU 423 HG2 0.01 -0.02 -0.28 -0.04 2.34 2.00 1dlcA1 GLU 423 HG3 0.01 0.05 -0.10 -0.04 2.34 2.26 1dlcA1 PHE 424 H 0.20 0.79 0.44 -0.55 8.34 9.22 1dlcA1 PHE 424 HA 0.06 0.23 1.04 -0.75 4.62 5.20 1dlcA1 PHE 424 HB2 0.17 -0.00 0.18 -0.04 3.15 3.45 1dlcA1 PHE 424 HB3 0.10 0.03 0.00 -0.04 3.06 3.15 1dlcA1 PHE 424 HD2 0.04 0.09 -0.05 -0.04 7.28 7.32 1dlcA1 PHE 424 HE2 -0.01 -0.01 -0.12 -0.04 7.38 7.20 1dlcA1 PHE 424 HZ 0.23 -0.01 -0.13 -0.04 7.32 7.37 1dlcA1 SER 425 H -0.00 0.52 0.27 -0.55 8.46 8.71 1dlcA1 SER 425 HA -0.04 0.20 0.97 -0.75 4.49 4.87 1dlcA1 SER 425 HB2 -0.60 -0.10 0.15 -0.04 3.95 3.36 1dlcA1 SER 425 HB3 -0.70 0.04 0.00 -0.04 3.93 3.24 1dlcA1 GLN 426 H 0.07 0.78 0.42 -0.55 8.47 9.19 1dlcA1 GLN 426 HA 0.15 0.31 1.07 -0.75 4.36 5.14 1dlcA1 GLN 426 HB2 0.17 -0.02 -0.13 -0.04 2.15 2.13 1dlcA1 GLN 426 HB3 0.20 -0.03 -0.25 -0.04 2.02 1.90 1dlcA1 GLN 426 HG2 0.12 0.06 -0.15 -0.04 2.40 2.38 1dlcA1 GLN 426 HG3 0.10 -0.04 -0.19 -0.04 2.39 2.23 1dlcA1 GLN 426 HE21 -0.05 0.05 -0.11 -0.04 6.97 6.81 1dlcA1 GLN 426 HE22 0.02 -0.03 -0.19 -0.04 7.69 7.45 1dlcA1 TYR 427 H 0.34 0.51 0.33 -0.55 8.29 8.92 1dlcA1 TYR 427 HA 0.16 0.18 0.93 -0.75 4.56 5.07 1dlcA1 TYR 427 HB2 0.06 -0.06 -0.02 -0.04 3.06 3.00 1dlcA1 TYR 427 HB3 0.11 0.06 0.15 -0.04 2.98 3.26 1dlcA1 TYR 427 HD2 0.09 -0.08 -0.20 -0.04 7.15 6.91 1dlcA1 TYR 427 HE2 0.06 -0.01 -0.21 -0.04 6.85 6.65 1dlcA1 ASN 428 H -0.48 0.75 0.16 -0.55 8.53 8.41 1dlcA1 ASN 428 HA -0.07 0.20 0.90 -0.75 4.76 5.04 1dlcA1 ASN 428 HB2 -0.09 0.07 0.02 -0.04 2.88 2.83 1dlcA1 ASN 428 HB3 -0.19 -0.00 0.16 -0.04 2.79 2.72 1dlcA1 ASN 428 HD21 -0.04 0.03 -0.01 -0.04 7.03 6.96 1dlcA1 ASN 428 HD22 -0.05 0.06 -0.03 -0.04 7.74 7.68 1dlcA1 ASP 429 H 0.03 0.34 0.09 -0.55 8.40 8.32 1dlcA1 ASP 429 HA 0.13 0.09 0.40 -0.75 4.63 4.50 1dlcA1 ASP 429 HB2 0.20 0.04 0.10 -0.04 2.71 3.01 1dlcA1 ASP 429 HB3 0.32 0.06 0.08 -0.04 2.70 3.12 1dlcA1 GLN 430 H -0.02 0.03 -0.30 -0.55 8.47 7.64 1dlcA1 GLN 430 HA 0.04 0.15 0.54 -0.75 4.36 4.33 1dlcA1 GLN 430 HB2 -0.01 -0.10 0.12 -0.04 2.15 2.11 1dlcA1 GLN 430 HB3 0.01 0.04 0.00 -0.04 2.02 2.03 1dlcA1 GLN 430 HG2 0.03 0.02 0.01 -0.04 2.40 2.42 1dlcA1 GLN 430 HG3 0.08 0.04 0.01 -0.04 2.39 2.47 1dlcA1 GLN 430 HE21 -0.03 0.19 0.05 -0.04 6.97 7.14 1dlcA1 GLN 430 HE22 -0.02 -0.01 0.02 -0.04 7.69 7.63 1dlcA1 THR 431 H -0.06 0.04 -0.07 -0.55 8.28 7.65 1dlcA1 THR 431 HA -0.02 0.16 0.50 -0.75 4.39 4.27 1dlcA1 THR 431 HB -0.03 0.02 0.15 -0.04 4.32 4.42 1dlcA1 THR 431 HG23 -0.02 -0.01 -0.01 -0.04 1.22 1.13 1dlcA1 ASP 432 H -0.06 0.14 -1.06 -0.55 8.40 6.87 1dlcA1 ASP 432 HA -0.20 0.08 0.27 -0.75 4.63 4.03 1dlcA1 ASP 432 HB2 0.03 -0.02 -0.10 -0.04 2.71 2.58 1dlcA1 ASP 432 HB3 0.11 -0.06 0.17 -0.04 2.70 2.87 1dlcA1 GLU 433 H -0.43 0.24 -0.07 -0.55 8.60 7.80 1dlcA1 GLU 433 HA 0.04 0.04 0.58 -0.75 4.29 4.20 1dlcA1 GLU 433 HB2 0.02 -0.06 0.20 -0.04 2.09 2.22 1dlcA1 GLU 433 HB3 -0.03 0.21 -0.21 -0.04 1.99 1.92 1dlcA1 GLU 433 HG2 -0.01 0.09 -0.32 -0.04 2.34 2.05 1dlcA1 GLU 433 HG3 -0.00 -0.04 -0.02 -0.04 2.34 2.24 1dlcA1 ALA 434 H 0.14 0.11 0.19 -0.55 8.40 8.29 1dlcA1 ALA 434 HA 0.19 0.26 1.08 -0.75 4.34 5.12 1dlcA1 ALA 434 HB3 0.33 -0.02 0.12 -0.04 1.41 1.80 1dlcA1 SER 435 H 0.18 0.65 0.44 -0.55 8.46 9.18 1dlcA1 SER 435 HA 0.07 0.04 0.47 -0.75 4.49 4.32 1dlcA1 SER 435 HB2 0.03 -0.03 0.15 -0.04 3.95 4.07 1dlcA1 SER 435 HB3 0.04 0.17 -0.11 -0.04 3.93 3.98 1dlcA1 THR 436 H 0.04 0.21 0.22 -0.55 8.28 8.20 1dlcA1 THR 436 HA 0.08 0.30 1.22 -0.75 4.39 5.24 1dlcA1 THR 436 HB 0.05 0.06 0.03 -0.04 4.32 4.42 1dlcA1 THR 436 HG23 0.05 -0.03 -0.18 -0.04 1.22 1.01 1dlcA1 GLN 437 H 0.15 0.68 0.38 -0.55 8.47 9.14 1dlcA1 GLN 437 HA 0.02 0.13 0.76 -0.75 4.36 4.51 1dlcA1 GLN 437 HB2 0.11 -0.01 0.07 -0.04 2.15 2.27 1dlcA1 GLN 437 HB3 -0.00 0.00 0.01 -0.04 2.02 1.98 1dlcA1 GLN 437 HG2 -0.07 0.03 0.12 -0.04 2.40 2.44 1dlcA1 GLN 437 HG3 -0.04 -0.01 -0.20 -0.04 2.39 2.10 1dlcA1 GLN 437 HE21 -0.99 0.46 -0.00 -0.04 6.97 6.39 1dlcA1 GLN 437 HE22 -0.28 -0.09 -0.10 -0.04 7.69 7.18 1dlcA1 THR 438 H 0.00 0.24 0.18 -0.55 8.28 8.15 1dlcA1 THR 438 HA 0.13 0.27 1.20 -0.75 4.39 5.23 1dlcA1 THR 438 HB -0.05 0.06 0.00 -0.04 4.32 4.29 1dlcA1 THR 438 HG23 0.00 0.00 -0.26 -0.04 1.22 0.93 1dlcA1 TYR 439 H -0.07 0.67 0.36 -0.55 8.29 8.71 1dlcA1 TYR 439 HA -0.39 0.15 0.78 -0.75 4.56 4.35 1dlcA1 TYR 439 HB2 -1.57 0.03 0.00 -0.04 3.06 1.48 1dlcA1 TYR 439 HB3 -0.67 -0.02 0.17 -0.04 2.98 2.42 1dlcA1 TYR 439 HD2 -0.46 -0.07 -0.16 -0.04 7.15 6.42 1dlcA1 TYR 439 HE2 0.01 0.05 -0.31 -0.04 6.85 6.56 1dlcA1 ASP 440 H -0.64 0.30 0.08 -0.55 8.40 7.60 1dlcA1 ASP 440 HA -0.44 0.16 0.94 -0.75 4.63 4.53 1dlcA1 ASP 440 HB2 -0.21 0.02 -0.19 -0.04 2.71 2.28 1dlcA1 ASP 440 HB3 -0.22 0.04 0.04 -0.04 2.70 2.53 1dlcA1 SER 441 H -0.30 0.62 0.22 -0.55 8.46 8.45 1dlcA1 SER 441 HA -0.16 0.07 0.38 -0.75 4.49 4.03 1dlcA1 SER 441 HB2 0.14 -0.14 -0.22 -0.04 3.95 3.70 1dlcA1 SER 441 HB3 0.13 0.12 0.07 -0.04 3.93 4.21 1dlcA1 LYS 442 H -0.10 0.02 -0.33 -0.55 8.42 7.45 1dlcA1 LYS 442 HA -0.05 -0.03 0.21 -0.75 4.32 3.70 1dlcA1 LYS 442 HB2 -0.05 0.24 -0.36 -0.04 1.87 1.67 1dlcA1 LYS 442 HB3 -0.02 -0.01 0.04 -0.04 1.79 1.76 1dlcA1 LYS 442 HG2 -0.07 -0.04 -0.07 -0.04 1.46 1.24 1dlcA1 LYS 442 HG3 -0.05 0.04 -0.05 -0.04 1.46 1.36 1dlcA1 LYS 442 HD2 -0.03 0.00 0.01 -0.04 1.69 1.62 1dlcA1 LYS 442 HD3 -0.02 0.00 0.03 -0.04 1.68 1.65 1dlcA1 LYS 442 HE2 -0.03 -0.03 0.10 -0.04 2.99 2.99 1dlcA1 LYS 442 HE3 -0.04 -0.00 0.01 -0.04 2.99 2.92 1dlcA1 ARG 443 H 0.07 0.19 -0.57 -0.55 8.46 7.60 1dlcA1 ARG 443 HA 0.07 0.18 0.97 -0.75 4.34 4.82 1dlcA1 ARG 443 HB2 0.08 0.00 -0.16 -0.04 1.90 1.78 1dlcA1 ARG 443 HB3 0.18 0.00 -0.03 -0.04 1.80 1.91 1dlcA1 ARG 443 HG2 0.22 0.00 -0.38 -0.04 1.67 1.48 1dlcA1 ARG 443 HG3 0.12 -0.02 -0.02 -0.04 1.67 1.71 1dlcA1 ARG 443 HD2 0.04 0.01 -0.11 -0.04 3.22 3.12 1dlcA1 ARG 443 HD3 0.30 0.00 -0.22 -0.04 3.22 3.26 1dlcA1 ASN 444 H 0.09 0.16 0.06 -0.55 8.53 8.29 1dlcA1 ASN 444 HA 0.08 -0.05 0.37 -0.75 4.76 4.41 1dlcA1 ASN 444 HB2 0.17 0.01 0.04 -0.04 2.88 3.06 1dlcA1 ASN 444 HB3 0.28 0.10 0.20 -0.04 2.79 3.33 1dlcA1 ASN 444 HD21 0.11 -0.10 -0.02 -0.04 7.03 6.97 1dlcA1 ASN 444 HD22 0.21 0.49 -0.14 -0.04 7.74 8.27 1dlcA1 VAL 445 H 0.05 0.05 -0.05 -0.55 8.24 7.74 1dlcA1 VAL 445 HA 0.07 0.13 0.31 -0.75 4.13 3.88 1dlcA1 VAL 445 HB 0.02 -0.01 0.03 -0.04 2.12 2.11 1dlcA1 VAL 445 HG13 0.01 0.06 -0.21 -0.04 0.97 0.78 1dlcA1 VAL 445 HG23 -0.00 -0.01 -0.15 -0.04 0.95 0.74 1dlcA1 GLY 446 H 0.02 -0.04 -0.14 -0.55 8.43 7.72 1dlcA1 GLY 446 HA2 -0.01 -0.03 0.33 -0.51 4.01 3.80 1dlcA1 GLY 446 HA3 -0.03 0.24 0.50 -0.51 4.01 4.21 1dlcA1 ALA 447 H -0.00 0.22 0.27 -0.55 8.40 8.35 1dlcA1 ALA 447 HA 0.02 0.17 0.94 -0.75 4.34 4.72 1dlcA1 ALA 447 HB3 0.02 0.01 0.07 -0.04 1.41 1.46 1dlcA1 VAL 448 H 0.03 0.10 0.16 -0.55 8.24 7.98 1dlcA1 VAL 448 HA 0.08 0.16 0.65 -0.75 4.13 4.26 1dlcA1 VAL 448 HB 0.08 0.01 -0.02 -0.04 2.12 2.14 1dlcA1 VAL 448 HG13 0.04 -0.01 -0.13 -0.04 0.97 0.84 1dlcA1 VAL 448 HG23 0.04 -0.01 0.06 -0.04 0.95 1.00 1dlcA1 SER 449 H 0.14 0.51 0.49 -0.55 8.46 9.05 1dlcA1 SER 449 HA 0.09 0.19 0.92 -0.75 4.49 4.93 1dlcA1 SER 449 HB2 0.11 0.01 0.11 -0.04 3.95 4.14 1dlcA1 SER 449 HB3 0.08 0.02 -0.06 -0.04 3.93 3.93 1dlcA1 TRP 450 H 0.28 0.30 0.27 -0.55 7.97 8.27 1dlcA1 TRP 450 HA 0.04 0.20 0.93 -0.75 4.62 5.04 1dlcA1 TRP 450 HB2 0.07 0.07 -0.25 -0.04 3.23 3.09 1dlcA1 TRP 450 HB3 0.08 -0.11 0.07 -0.04 3.23 3.23 1dlcA1 TRP 450 HD1 0.08 0.06 -0.08 -0.04 7.22 7.24 1dlcA1 TRP 450 HE1 0.12 0.26 -0.23 -0.04 10.20 10.30 1dlcA1 TRP 450 HE3 0.10 -0.14 -0.35 -0.04 7.59 7.16 1dlcA1 TRP 450 HZ2 0.23 0.06 -0.10 -0.04 7.44 7.59 1dlcA1 TRP 450 HZ3 0.25 -0.01 -0.07 -0.04 7.13 7.26 1dlcA1 TRP 450 HH2 0.53 -0.01 -0.07 -0.04 7.19 7.60 1dlcA1 ASP 451 H -0.33 0.31 0.12 -0.55 8.40 7.95 1dlcA1 ASP 451 HA 0.02 0.21 1.11 -0.75 4.63 5.21 1dlcA1 ASP 451 HB2 -0.03 0.04 -0.09 -0.04 2.71 2.58 1dlcA1 ASP 451 HB3 -0.16 0.01 0.11 -0.04 2.70 2.62 1dlcA1 SER 452 H -0.15 0.63 0.31 -0.55 8.46 8.71 1dlcA1 SER 452 HA -0.92 0.08 0.38 -0.75 4.49 3.27 1dlcA1 SER 452 HB2 -0.59 0.10 0.02 -0.04 3.95 3.43 1dlcA1 SER 452 HB3 0.32 0.05 0.13 -0.04 3.93 4.39 1dlcA1 ILE 453 H -0.17 0.03 -0.20 -0.55 8.25 7.37 1dlcA1 ILE 453 HA -0.15 0.29 0.14 -0.75 4.18 3.70 1dlcA1 ILE 453 HB -0.07 -0.08 0.00 -0.04 1.89 1.70 1dlcA1 ILE 453 HG12 -0.00 -0.12 0.06 -0.04 1.49 1.39 1dlcA1 ILE 453 HG13 0.03 -0.02 0.01 -0.04 1.21 1.19 1dlcA1 ILE 453 HG23 -0.04 0.02 -0.12 -0.04 0.93 0.74 1dlcA1 ILE 453 HD13 0.03 0.06 0.02 -0.04 0.88 0.95 1dlcA1 ASP 454 H -0.28 0.34 -0.46 -0.55 8.40 7.45 1dlcA1 ASP 454 HA -0.14 0.02 0.33 -0.75 4.63 4.09 1dlcA1 ASP 454 HB2 -0.31 0.09 0.07 -0.04 2.71 2.52 1dlcA1 ASP 454 HB3 -0.17 0.04 0.04 -0.04 2.70 2.57 1dlcA1 GLN 455 H -0.35 0.34 -0.16 -0.55 8.47 7.76 1dlcA1 GLN 455 HA -0.18 0.18 0.87 -0.75 4.36 4.47 1dlcA1 GLN 455 HB2 -0.36 0.01 0.11 -0.04 2.15 1.87 1dlcA1 GLN 455 HB3 -0.20 -0.02 0.05 -0.04 2.02 1.81 1dlcA1 GLN 455 HG2 -0.16 0.08 -0.01 -0.04 2.40 2.27 1dlcA1 GLN 455 HG3 -0.33 -0.06 -0.11 -0.04 2.39 1.85 1dlcA1 GLN 455 HE21 0.02 0.07 -0.03 -0.04 6.97 6.99 1dlcA1 GLN 455 HE22 -0.58 0.01 -0.04 -0.04 7.69 7.03 1dlcA1 LEU 456 H -0.33 0.51 -0.03 -0.55 8.37 7.97 1dlcA1 LEU 456 HA -0.20 0.21 0.80 -0.75 4.35 4.41 1dlcA1 LEU 456 HB2 -0.54 -0.08 0.04 -0.04 1.64 1.01 1dlcA1 LEU 456 HB3 -0.29 0.00 0.00 -0.04 1.64 1.31 1dlcA1 LEU 456 HG -0.59 -0.10 -0.35 -0.04 1.64 0.56 1dlcA1 LEU 456 HD13 -1.35 -0.03 -0.18 -0.04 0.93 -0.67 1dlcA1 LEU 456 HD23 -0.58 0.06 -0.16 -0.04 0.89 0.18 1dlcA1 PRO 457 HA -0.05 0.05 0.39 -0.51 4.44 4.32 1dlcA1 PRO 457 HB2 -0.03 0.06 -0.11 -0.04 2.28 2.15 1dlcA1 PRO 457 HB3 -0.04 -0.05 0.06 -0.04 2.02 1.94 1dlcA1 PRO 457 HG2 -0.06 -0.02 -0.11 -0.04 2.03 1.79 1dlcA1 PRO 457 HG3 -0.09 0.09 -0.08 -0.04 2.03 1.91 1dlcA1 PRO 457 HD2 -0.05 0.08 -0.08 -0.04 3.68 3.59 1dlcA1 PRO 457 HD3 -0.12 0.24 -0.75 -0.04 3.65 2.99 1dlcA1 PRO 458 HA 0.04 -0.03 0.59 -0.51 4.44 4.54 1dlcA1 PRO 458 HB2 0.01 0.09 -0.25 -0.04 2.28 2.08 1dlcA1 PRO 458 HB3 0.04 -0.04 -0.22 -0.04 2.02 1.76 1dlcA1 PRO 458 HG2 0.02 0.02 -0.04 -0.04 2.03 1.99 1dlcA1 PRO 458 HG3 0.04 -0.01 0.02 -0.04 2.03 2.04 1dlcA1 PRO 458 HD2 -0.01 0.08 0.06 -0.04 3.68 3.77 1dlcA1 PRO 458 HD3 -0.01 0.09 0.18 -0.04 3.65 3.86 1dlcA1 GLU 459 H -0.04 0.56 0.13 -0.55 8.60 8.70 1dlcA1 GLU 459 HA -0.01 0.04 0.32 -0.75 4.29 3.89 1dlcA1 GLU 459 HB2 -0.07 0.10 0.11 -0.04 2.09 2.19 1dlcA1 GLU 459 HB3 -0.02 -0.06 0.01 -0.04 1.99 1.87 1dlcA1 GLU 459 HG2 -0.01 0.03 -0.01 -0.04 2.34 2.30 1dlcA1 GLU 459 HG3 -0.10 -0.04 -0.02 -0.04 2.34 2.14 1dlcA1 THR 460 H -0.03 0.29 -0.09 -0.55 8.28 7.91 1dlcA1 THR 460 HA -0.01 0.24 0.94 -0.75 4.39 4.81 1dlcA1 THR 460 HB -0.01 -0.31 0.00 -0.04 4.32 3.96 1dlcA1 THR 460 HG23 -0.01 0.04 -0.15 -0.04 1.22 1.06 1dlcA1 THR 461 H -0.01 0.22 0.06 -0.55 8.28 8.00 1dlcA1 THR 461 HA -0.00 0.17 0.60 -0.75 4.39 4.40 1dlcA1 THR 461 HB -0.01 -0.01 0.11 -0.04 4.32 4.37 1dlcA1 THR 461 HG23 -0.02 0.02 -0.07 -0.04 1.22 1.11 1dlcA1 ASP 462 H -0.01 -0.06 -0.33 -0.55 8.40 7.45 1dlcA1 ASP 462 HA -0.00 0.12 0.60 -0.75 4.63 4.59 1dlcA1 ASP 462 HB2 -0.00 -0.05 0.07 -0.04 2.71 2.69 1dlcA1 ASP 462 HB3 -0.00 0.04 -0.08 -0.04 2.70 2.61 1dlcA1 GLU 463 H -0.01 0.00 -0.12 -0.55 8.60 7.92 1dlcA1 GLU 463 HA -0.01 0.15 0.54 -0.75 4.29 4.22 1dlcA1 GLU 463 HB2 -0.03 -0.01 -0.07 -0.04 2.09 1.93 1dlcA1 GLU 463 HB3 -0.03 0.04 0.06 -0.04 1.99 2.02 1dlcA1 GLU 463 HG2 -0.01 0.02 -0.08 -0.04 2.34 2.23 1dlcA1 GLU 463 HG3 -0.01 -0.08 -0.05 -0.04 2.34 2.16 1dlcA1 PRO 464 HA 0.01 0.14 0.52 -0.51 4.44 4.59 1dlcA1 PRO 464 HB2 0.00 -0.07 0.01 -0.04 2.28 2.19 1dlcA1 PRO 464 HB3 0.01 0.09 0.09 -0.04 2.02 2.18 1dlcA1 PRO 464 HG2 -0.04 -0.05 0.04 -0.04 2.03 1.94 1dlcA1 PRO 464 HG3 0.00 0.10 0.05 -0.04 2.03 2.13 1dlcA1 PRO 464 HD2 -0.02 0.10 0.18 -0.04 3.68 3.90 1dlcA1 PRO 464 HD3 0.00 0.19 0.13 -0.04 3.65 3.93 1dlcA1 LEU 465 H 0.03 0.18 0.14 -0.55 8.37 8.16 1dlcA1 LEU 465 HA 0.02 0.11 0.29 -0.75 4.35 4.02 1dlcA1 LEU 465 HB2 0.12 -0.02 0.15 -0.04 1.64 1.85 1dlcA1 LEU 465 HB3 0.23 0.03 -0.06 -0.04 1.64 1.80 1dlcA1 LEU 465 HG 0.10 0.04 0.04 -0.04 1.64 1.78 1dlcA1 LEU 465 HD13 0.22 -0.00 -0.03 -0.04 0.93 1.08 1dlcA1 LEU 465 HD23 0.18 0.02 0.02 -0.04 0.89 1.08 1dlcA1 GLU 466 H -0.16 0.06 -0.25 -0.55 8.60 7.70 1dlcA1 GLU 466 HA -1.16 0.10 0.33 -0.75 4.29 2.80 1dlcA1 GLU 466 HB2 -0.32 0.02 0.03 -0.04 2.09 1.79 1dlcA1 GLU 466 HB3 -0.16 -0.05 0.02 -0.04 1.99 1.75 1dlcA1 GLU 466 HG2 -0.23 0.11 -0.34 -0.04 2.34 1.84 1dlcA1 GLU 466 HG3 0.09 0.01 -0.13 -0.04 2.34 2.26 1dlcA1 LYS 467 H -0.16 0.50 -0.48 -0.55 8.42 7.72 1dlcA1 LYS 467 HA -0.26 0.21 0.92 -0.75 4.32 4.44 1dlcA1 LYS 467 HB2 -0.09 0.06 0.05 -0.04 1.87 1.86 1dlcA1 LYS 467 HB3 -0.10 -0.01 -0.03 -0.04 1.79 1.61 1dlcA1 LYS 467 HG2 -0.14 0.06 -0.07 -0.04 1.46 1.26 1dlcA1 LYS 467 HG3 -0.13 -0.12 -0.18 -0.04 1.46 0.98 1dlcA1 LYS 467 HD2 -0.03 -0.03 0.02 -0.04 1.69 1.60 1dlcA1 LYS 467 HD3 -0.03 0.02 -0.02 -0.04 1.68 1.61 1dlcA1 LYS 467 HE2 0.01 0.04 -0.03 -0.04 2.99 2.97 1dlcA1 LYS 467 HE3 0.01 -0.04 -0.03 -0.04 2.99 2.88 1dlcA1 GLY 468 H -0.07 0.34 -0.04 -0.55 8.43 8.11 1dlcA1 GLY 468 HA2 -0.12 0.16 0.63 -0.51 4.01 4.17 1dlcA1 GLY 468 HA3 -0.05 0.01 0.28 -0.51 4.01 3.74 1dlcA1 TYR 469 H 0.08 0.36 -0.13 -0.55 8.29 8.05 1dlcA1 TYR 469 HA 0.00 -0.04 0.44 -0.75 4.56 4.21 1dlcA1 TYR 469 HB2 0.14 0.03 0.18 -0.04 3.06 3.37 1dlcA1 TYR 469 HB3 -0.01 0.10 0.15 -0.04 2.98 3.18 1dlcA1 TYR 469 HD2 -0.10 0.01 -0.19 -0.04 7.15 6.83 1dlcA1 TYR 469 HE2 -0.02 0.04 -0.22 -0.04 6.85 6.60 1dlcA1 SER 470 H 0.16 0.20 0.22 -0.55 8.46 8.49 1dlcA1 SER 470 HA -0.29 0.23 1.06 -0.75 4.49 4.74 1dlcA1 SER 470 HB2 -0.16 -0.05 0.08 -0.04 3.95 3.78 1dlcA1 SER 470 HB3 -0.03 -0.05 -0.02 -0.04 3.93 3.79 1dlcA1 HIS 471 H 0.39 0.15 0.15 -0.55 8.41 8.56 1dlcA1 HIS 471 HA 0.20 0.19 0.89 -0.75 4.63 5.16 1dlcA1 HIS 471 HB2 0.03 -0.05 -0.08 -0.04 3.26 3.12 1dlcA1 HIS 471 HB3 0.38 0.01 -0.08 -0.04 3.20 3.47 1dlcA1 HIS 471 HD2 0.25 -0.05 -0.54 -0.04 6.97 6.58 1dlcA1 HIS 471 HE1 0.07 0.02 -0.10 -0.04 7.75 7.70 1dlcA1 GLN 472 H 0.52 0.60 0.29 -0.55 8.47 9.33 1dlcA1 GLN 472 HA 0.49 0.40 1.05 -0.75 4.36 5.54 1dlcA1 GLN 472 HB2 0.22 -0.07 0.06 -0.04 2.15 2.32 1dlcA1 GLN 472 HB3 0.36 -0.01 -0.20 -0.04 2.02 2.12 1dlcA1 GLN 472 HG2 0.37 0.07 -0.09 -0.04 2.40 2.70 1dlcA1 GLN 472 HG3 0.29 -0.03 -0.13 -0.04 2.39 2.48 1dlcA1 GLN 472 HE21 0.33 0.02 -0.04 -0.04 6.97 7.23 1dlcA1 GLN 472 HE22 0.34 -0.00 -0.14 -0.04 7.69 7.84 1dlcA1 LEU 473 H 0.01 0.41 0.29 -0.55 8.37 8.53 1dlcA1 LEU 473 HA -0.81 0.08 0.57 -0.75 4.35 3.44 1dlcA1 LEU 473 HB2 -0.37 0.00 0.15 -0.04 1.64 1.38 1dlcA1 LEU 473 HB3 -0.42 -0.02 -0.05 -0.04 1.64 1.11 1dlcA1 LEU 473 HG -1.17 -0.03 -0.09 -0.04 1.64 0.31 1dlcA1 LEU 473 HD13 -0.16 -0.02 -0.13 -0.04 0.93 0.58 1dlcA1 LEU 473 HD23 -0.67 0.02 -0.01 -0.04 0.89 0.18 1dlcA1 ASN 474 H -0.27 0.56 0.48 -0.55 8.53 8.75 1dlcA1 ASN 474 HA -0.05 0.07 0.99 -0.75 4.76 5.01 1dlcA1 ASN 474 HB2 -0.00 0.03 -0.11 -0.04 2.88 2.76 1dlcA1 ASN 474 HB3 -0.01 0.00 -0.12 -0.04 2.79 2.62 1dlcA1 ASN 474 HD21 -0.19 0.02 -0.34 -0.04 7.03 6.48 1dlcA1 ASN 474 HD22 -0.07 -0.17 0.11 -0.04 7.74 7.56 1dlcA1 TYR 475 H -0.12 0.41 0.35 -0.55 8.29 8.38 1dlcA1 TYR 475 HA -0.13 0.17 0.84 -0.75 4.56 4.69 1dlcA1 TYR 475 HB2 -0.10 0.01 -0.33 -0.04 3.06 2.59 1dlcA1 TYR 475 HB3 -0.09 -0.07 -0.10 -0.04 2.98 2.68 1dlcA1 TYR 475 HD2 -0.13 0.06 -0.17 -0.04 7.15 6.87 1dlcA1 TYR 475 HE2 -0.10 0.01 -0.07 -0.04 6.85 6.65 1dlcA1 VAL 476 H -0.61 0.30 0.15 -0.55 8.24 7.53 1dlcA1 VAL 476 HA -0.07 0.21 0.87 -0.75 4.13 4.37 1dlcA1 VAL 476 HB -0.18 -0.00 0.03 -0.04 2.12 1.93 1dlcA1 VAL 476 HG13 0.18 -0.01 -0.22 -0.04 0.97 0.87 1dlcA1 VAL 476 HG23 -0.01 -0.01 -0.23 -0.04 0.95 0.65 1dlcA1 MET 477 H -0.18 0.57 0.23 -0.55 8.47 8.55 1dlcA1 MET 477 HA -0.63 0.12 0.67 -0.75 4.52 3.93 1dlcA1 MET 477 HB2 -0.25 -0.02 -0.22 -0.04 2.15 1.62 1dlcA1 MET 477 HB3 -0.35 -0.02 0.02 -0.04 2.03 1.64 1dlcA1 MET 477 HG2 -1.38 0.02 -0.16 -0.04 2.63 1.07 1dlcA1 MET 477 HG3 -2.23 0.03 0.04 -0.04 2.56 0.36 1dlcA1 MET 477 HE3 -0.11 -0.02 -0.03 -0.04 2.10 1.90 1dlcA1 CYS 478 H -0.58 0.19 0.03 -0.55 8.50 7.60 1dlcA1 CYS 478 HA -0.52 0.16 0.87 -0.75 4.58 4.32 1dlcA1 CYS 478 HB2 -0.50 0.01 -0.13 -0.04 2.97 2.31 1dlcA1 CYS 478 HB3 -0.48 0.10 -0.26 -0.04 2.97 2.28 1dlcA1 PHE 479 H -0.16 0.79 0.27 -0.55 8.34 8.68 1dlcA1 PHE 479 HA -0.23 0.16 0.91 -0.75 4.62 4.71 1dlcA1 PHE 479 HB2 -0.22 0.03 0.10 -0.04 3.15 3.02 1dlcA1 PHE 479 HB3 -0.21 -0.00 0.02 -0.04 3.06 2.83 1dlcA1 PHE 479 HD2 -0.25 0.06 -0.03 -0.04 7.28 7.02 1dlcA1 PHE 479 HE2 -0.18 0.05 -0.05 -0.04 7.38 7.16 1dlcA1 PHE 479 HZ -0.18 0.03 -0.20 -0.04 7.32 6.93 1dlcA1 LEU 480 H -0.03 0.17 0.21 -0.55 8.37 8.16 1dlcA1 LEU 480 HA -0.07 0.23 1.03 -0.75 4.35 4.79 1dlcA1 LEU 480 HB2 -0.06 -0.05 0.19 -0.04 1.64 1.68 1dlcA1 LEU 480 HB3 -0.04 0.09 0.13 -0.04 1.64 1.77 1dlcA1 LEU 480 HG -0.10 -0.07 -0.01 -0.04 1.64 1.42 1dlcA1 LEU 480 HD13 -0.04 0.02 -0.03 -0.04 0.93 0.84 1dlcA1 LEU 480 HD23 -0.04 0.01 -0.03 -0.04 0.89 0.79 1dlcA1 MET 481 H -0.06 0.65 0.31 -0.55 8.47 8.81 1dlcA1 MET 481 HA -0.09 -0.01 0.60 -0.75 4.52 4.26 1dlcA1 MET 481 HB2 -0.07 -0.26 0.10 -0.04 2.15 1.89 1dlcA1 MET 481 HB3 -0.03 0.19 0.08 -0.04 2.03 2.23 1dlcA1 MET 481 HG2 -0.17 -0.07 -0.11 -0.04 2.63 2.24 1dlcA1 MET 481 HG3 -0.11 0.03 -0.32 -0.04 2.56 2.11 1dlcA1 MET 481 HE3 -0.12 0.01 -0.13 -0.04 2.10 1.81 1dlcA1 GLN 482 H -0.02 0.66 0.16 -0.55 8.47 8.72 1dlcA1 GLN 482 HA -0.01 0.01 0.47 -0.75 4.36 4.07 1dlcA1 GLN 482 HB2 -0.05 0.04 0.15 -0.04 2.15 2.24 1dlcA1 GLN 482 HB3 -0.06 -0.01 0.04 -0.04 2.02 1.95 1dlcA1 GLN 482 HG2 -0.04 -0.06 0.05 -0.04 2.40 2.30 1dlcA1 GLN 482 HG3 -0.05 0.09 -0.14 -0.04 2.39 2.25 1dlcA1 GLN 482 HE21 -0.10 -0.12 0.09 -0.04 6.97 6.80 1dlcA1 GLN 482 HE22 -0.11 0.18 0.09 -0.04 7.69 7.81 1dlcA1 GLY 483 H 0.01 0.13 0.19 -0.55 8.43 8.22 1dlcA1 GLY 483 HA2 0.03 0.01 0.33 -0.51 4.01 3.87 1dlcA1 GLY 483 HA3 0.10 0.07 0.36 -0.51 4.01 4.03 1dlcA1 SER 484 H 0.01 0.13 -0.34 -0.55 8.46 7.71 1dlcA1 SER 484 HA -0.02 0.11 0.29 -0.75 4.49 4.12 1dlcA1 SER 484 HB2 -0.00 0.01 -0.10 -0.04 3.95 3.81 1dlcA1 SER 484 HB3 -0.00 0.00 0.12 -0.04 3.93 4.01 1dlcA1 ARG 485 H -0.04 0.18 -0.27 -0.55 8.46 7.79 1dlcA1 ARG 485 HA -0.07 0.16 0.70 -0.75 4.34 4.38 1dlcA1 ARG 485 HB2 -0.35 0.10 0.03 -0.04 1.90 1.64 1dlcA1 ARG 485 HB3 -0.26 -0.07 0.02 -0.04 1.80 1.44 1dlcA1 ARG 485 HG2 -0.41 -0.06 0.17 -0.04 1.67 1.34 1dlcA1 ARG 485 HG3 -0.55 -0.00 0.11 -0.04 1.67 1.18 1dlcA1 ARG 485 HD2 -1.09 -0.03 0.05 -0.04 3.22 2.12 1dlcA1 ARG 485 HD3 -0.68 0.15 0.15 -0.04 3.22 2.80 1dlcA1 GLY 486 H -0.07 0.09 -0.05 -0.55 8.43 7.85 1dlcA1 GLY 486 HA2 -0.17 0.12 0.31 -0.51 4.01 3.76 1dlcA1 GLY 486 HA3 -0.16 0.12 0.45 -0.51 4.01 3.90 1dlcA1 THR 487 H -0.11 0.26 0.24 -0.55 8.28 8.13 1dlcA1 THR 487 HA -0.09 0.21 1.15 -0.75 4.39 4.91 1dlcA1 THR 487 HB 0.07 0.09 0.24 -0.04 4.32 4.68 1dlcA1 THR 487 HG23 -0.34 -0.04 -0.33 -0.04 1.22 0.47 1dlcA1 ILE 488 H -0.11 0.80 0.27 -0.55 8.25 8.66 1dlcA1 ILE 488 HA -0.11 0.30 1.00 -0.75 4.18 4.62 1dlcA1 ILE 488 HB -0.03 -0.06 0.08 -0.04 1.89 1.84 1dlcA1 ILE 488 HG12 -0.13 0.07 -0.16 -0.04 1.49 1.23 1dlcA1 ILE 488 HG13 -0.13 -0.06 -0.29 -0.04 1.21 0.69 1dlcA1 ILE 488 HG23 0.03 0.02 -0.22 -0.04 0.93 0.72 1dlcA1 ILE 488 HD13 -0.34 -0.02 -0.09 -0.04 0.88 0.39 1dlcA1 PRO 489 HA -0.41 0.20 0.83 -0.51 4.44 4.55 1dlcA1 PRO 489 HB2 -0.29 -0.04 -0.00 -0.04 2.28 1.90 1dlcA1 PRO 489 HB3 -0.98 0.01 -0.03 -0.04 2.02 0.97 1dlcA1 PRO 489 HG2 -0.24 -0.01 0.06 -0.04 2.03 1.80 1dlcA1 PRO 489 HG3 -0.82 0.06 -0.09 -0.04 2.03 1.14 1dlcA1 PRO 489 HD2 -0.17 0.19 0.35 -0.04 3.68 4.01 1dlcA1 PRO 489 HD3 -0.18 0.34 0.26 -0.04 3.65 4.03 1dlcA1 VAL 490 H -0.14 0.77 0.35 -0.55 8.24 8.67 1dlcA1 VAL 490 HA 0.09 0.14 0.81 -0.75 4.13 4.40 1dlcA1 VAL 490 HB 0.24 0.00 0.05 -0.04 2.12 2.38 1dlcA1 VAL 490 HG13 0.26 0.03 -0.19 -0.04 0.97 1.02 1dlcA1 VAL 490 HG23 0.05 -0.00 -0.25 -0.04 0.95 0.71 1dlcA1 LEU 491 H 0.23 0.24 0.06 -0.55 8.37 8.34 1dlcA1 LEU 491 HA 0.04 0.28 1.11 -0.75 4.35 5.02 1dlcA1 LEU 491 HB2 0.58 -0.05 0.04 -0.04 1.64 2.17 1dlcA1 LEU 491 HB3 -0.12 0.07 0.02 -0.04 1.64 1.57 1dlcA1 LEU 491 HG 0.01 -0.01 -0.16 -0.04 1.64 1.44 1dlcA1 LEU 491 HD13 0.32 -0.01 -0.11 -0.04 0.93 1.09 1dlcA1 LEU 491 HD23 0.11 0.01 -0.21 -0.04 0.89 0.76 1dlcA1 THR 492 H -0.02 0.63 0.32 -0.55 8.28 8.66 1dlcA1 THR 492 HA 0.27 0.26 1.04 -0.75 4.39 5.21 1dlcA1 THR 492 HB 0.10 -0.12 0.08 -0.04 4.32 4.33 1dlcA1 THR 492 HG23 0.11 0.03 -0.13 -0.04 1.22 1.20 1dlcA1 TRP 493 H 0.45 0.74 0.41 -0.55 7.97 9.02 1dlcA1 TRP 493 HA 0.14 0.13 1.11 -0.75 4.62 5.25 1dlcA1 TRP 493 HB2 0.05 0.00 -0.05 -0.04 3.23 3.20 1dlcA1 TRP 493 HB3 0.19 0.07 -0.04 -0.04 3.23 3.41 1dlcA1 TRP 493 HD1 0.13 0.14 -0.16 -0.04 7.22 7.29 1dlcA1 TRP 493 HE1 0.31 -0.04 -0.16 -0.04 10.20 10.26 1dlcA1 TRP 493 HE3 0.19 0.06 -0.66 -0.04 7.59 7.14 1dlcA1 TRP 493 HZ2 0.45 -0.05 -0.11 -0.04 7.44 7.69 1dlcA1 TRP 493 HZ3 0.13 0.10 -0.34 -0.04 7.13 6.97 1dlcA1 TRP 493 HH2 0.19 -0.17 -0.28 -0.04 7.19 6.89 1dlcA1 THR 494 H 0.44 0.58 0.34 -0.55 8.28 9.09 1dlcA1 THR 494 HA 0.36 0.28 0.88 -0.75 4.39 5.15 1dlcA1 THR 494 HB 0.46 0.07 0.09 -0.04 4.32 4.89 1dlcA1 THR 494 HG23 0.00 -0.01 -0.21 -0.04 1.22 0.97 1dlcA1 HIS 495 H 0.36 0.26 0.17 -0.55 8.41 8.65 1dlcA1 HIS 495 HA -0.22 0.19 0.74 -0.75 4.63 4.59 1dlcA1 HIS 495 HB2 0.03 0.03 0.17 -0.04 3.26 3.45 1dlcA1 HIS 495 HB3 0.02 0.09 0.22 -0.04 3.20 3.49 1dlcA1 HIS 495 HD2 -0.31 -0.00 0.04 -0.04 6.97 6.65 1dlcA1 HIS 495 HE1 -0.07 0.06 0.03 -0.04 7.75 7.73 1dlcA1 LYS 496 H -0.71 0.62 0.27 -0.55 8.42 8.05 1dlcA1 LYS 496 HA 0.07 0.04 0.32 -0.75 4.32 4.00 1dlcA1 LYS 496 HB2 -0.32 -0.08 -0.27 -0.04 1.87 1.16 1dlcA1 LYS 496 HB3 -0.48 0.01 0.09 -0.04 1.79 1.37 1dlcA1 LYS 496 HG2 -0.20 -0.02 -0.13 -0.04 1.46 1.07 1dlcA1 LYS 496 HG3 -0.60 -0.06 -0.09 -0.04 1.46 0.67 1dlcA1 LYS 496 HD2 -0.51 0.32 0.12 -0.04 1.69 1.59 1dlcA1 LYS 496 HD3 -0.27 -0.08 -0.04 -0.04 1.68 1.24 1dlcA1 LYS 496 HE2 -0.32 -0.10 -0.02 -0.04 2.99 2.51 1dlcA1 LYS 496 HE3 -0.92 -0.09 -0.10 -0.04 2.99 1.84 1dlcA1 SER 497 H 0.28 0.03 -0.25 -0.55 8.46 7.97 1dlcA1 SER 497 HA 0.07 0.12 0.41 -0.75 4.49 4.33 1dlcA1 SER 497 HB2 0.08 0.15 0.20 -0.04 3.95 4.34 1dlcA1 SER 497 HB3 0.21 0.03 0.12 -0.04 3.93 4.25 1dlcA1 VAL 498 H 0.13 0.32 -0.39 -0.55 8.24 7.75 1dlcA1 VAL 498 HA -0.03 -0.05 0.39 -0.75 4.13 3.69 1dlcA1 VAL 498 HB 0.12 0.07 0.04 -0.04 2.12 2.31 1dlcA1 VAL 498 HG13 -0.57 -0.03 -0.24 -0.04 0.97 0.10 1dlcA1 VAL 498 HG23 -0.07 -0.02 -0.02 -0.04 0.95 0.79 1dlcA1 ASP 499 H 0.01 0.14 0.16 -0.55 8.40 8.17 1dlcA1 ASP 499 HA 0.15 0.13 0.74 -0.75 4.63 4.89 1dlcA1 ASP 499 HB2 0.09 0.17 0.09 -0.04 2.71 3.02 1dlcA1 ASP 499 HB3 0.06 0.02 0.20 -0.04 2.70 2.93 1dlcA1 PHE 500 H 0.21 0.25 0.13 -0.55 8.34 8.38 1dlcA1 PHE 500 HA 0.04 0.11 0.26 -0.75 4.62 4.28 1dlcA1 PHE 500 HB2 -0.36 0.07 0.08 -0.04 3.15 2.91 1dlcA1 PHE 500 HB3 -0.48 -0.05 0.10 -0.04 3.06 2.58 1dlcA1 PHE 500 HD2 -1.71 0.01 -0.11 -0.04 7.28 5.43 1dlcA1 PHE 500 HE2 -0.38 0.10 -0.06 -0.04 7.38 7.01 1dlcA1 PHE 500 HZ -0.22 -0.00 -0.06 -0.04 7.32 6.99 1dlcA1 PHE 501 H 0.18 0.04 -0.22 -0.55 8.34 7.79 1dlcA1 PHE 501 HA -0.19 0.17 0.57 -0.75 4.62 4.42 1dlcA1 PHE 501 HB2 0.06 -0.03 -0.01 -0.04 3.15 3.14 1dlcA1 PHE 501 HB3 0.05 0.04 0.02 -0.04 3.06 3.13 1dlcA1 PHE 501 HD2 0.12 0.01 -0.01 -0.04 7.28 7.36 1dlcA1 PHE 501 HE2 0.14 0.00 -0.03 -0.04 7.38 7.45 1dlcA1 PHE 501 HZ 0.08 -0.02 -0.03 -0.04 7.32 7.31 1dlcA1 ASN 502 H 0.03 0.36 -0.37 -0.55 8.53 8.01 1dlcA1 ASN 502 HA 0.03 0.03 0.28 -0.75 4.76 4.35 1dlcA1 ASN 502 HB2 0.07 0.17 -0.04 -0.04 2.88 3.03 1dlcA1 ASN 502 HB3 0.03 -0.09 0.27 -0.04 2.79 2.96 1dlcA1 ASN 502 HD21 0.06 0.13 0.05 -0.04 7.03 7.22 1dlcA1 ASN 502 HD22 0.10 0.32 0.11 -0.04 7.74 8.23 1dlcA1 MET 503 H 0.08 -0.00 -0.18 -0.55 8.47 7.83 1dlcA1 MET 503 HA -0.01 0.33 0.71 -0.75 4.52 4.79 1dlcA1 MET 503 HB2 0.10 -0.08 -0.08 -0.04 2.15 2.04 1dlcA1 MET 503 HB3 0.05 -0.06 0.01 -0.04 2.03 2.00 1dlcA1 MET 503 HG2 -0.01 -0.08 -0.33 -0.04 2.63 2.16 1dlcA1 MET 503 HG3 -0.02 0.28 -0.15 -0.04 2.56 2.63 1dlcA1 MET 503 HE3 -0.10 0.00 -0.08 -0.04 2.10 1.88 1dlcA1 ILE 504 H -0.13 0.49 0.16 -0.55 8.25 8.22 1dlcA1 ILE 504 HA -0.13 0.09 0.58 -0.75 4.18 3.97 1dlcA1 ILE 504 HB -0.35 -0.11 0.13 -0.04 1.89 1.52 1dlcA1 ILE 504 HG12 -0.37 0.04 -0.08 -0.04 1.49 1.03 1dlcA1 ILE 504 HG13 -0.90 -0.02 -0.10 -0.04 1.21 0.15 1dlcA1 ILE 504 HG23 -0.63 0.02 -0.15 -0.04 0.93 0.13 1dlcA1 ILE 504 HD13 -0.51 0.01 -0.26 -0.04 0.88 0.09 1dlcA1 ASP 505 H 0.02 0.22 0.14 -0.55 8.40 8.24 1dlcA1 ASP 505 HA 0.03 0.00 0.48 -0.75 4.63 4.39 1dlcA1 ASP 505 HB2 0.05 0.12 0.09 -0.04 2.71 2.93 1dlcA1 ASP 505 HB3 0.07 0.05 0.04 -0.04 2.70 2.83 1dlcA1 SER 506 H 0.04 0.11 0.18 -0.55 8.46 8.24 1dlcA1 SER 506 HA 0.14 0.18 0.38 -0.75 4.49 4.43 1dlcA1 SER 506 HB2 0.03 0.01 0.08 -0.04 3.95 4.03 1dlcA1 SER 506 HB3 -0.01 -0.03 0.08 -0.04 3.93 3.93 1dlcA1 LYS 507 H 0.06 -0.08 -0.21 -0.55 8.42 7.63 1dlcA1 LYS 507 HA 0.03 0.26 1.04 -0.75 4.32 4.90 1dlcA1 LYS 507 HB2 0.05 -0.02 -0.02 -0.04 1.87 1.84 1dlcA1 LYS 507 HB3 0.03 0.02 0.07 -0.04 1.79 1.87 1dlcA1 LYS 507 HG2 0.03 0.00 -0.03 -0.04 1.46 1.42 1dlcA1 LYS 507 HG3 0.04 0.07 -0.16 -0.04 1.46 1.36 1dlcA1 LYS 507 HD2 0.04 -0.14 -0.14 -0.04 1.69 1.42 1dlcA1 LYS 507 HD3 0.04 0.02 -0.01 -0.04 1.68 1.69 1dlcA1 LYS 507 HE2 0.04 0.00 -0.04 -0.04 2.99 2.95 1dlcA1 LYS 507 HE3 0.03 -0.00 -0.02 -0.04 2.99 2.96 1dlcA1 LYS 508 H 0.08 -0.10 -0.11 -0.55 8.42 7.73 1dlcA1 LYS 508 HA 0.08 0.22 0.95 -0.75 4.32 4.82 1dlcA1 LYS 508 HB2 0.08 -0.12 -0.08 -0.04 1.87 1.71 1dlcA1 LYS 508 HB3 0.09 0.26 -0.01 -0.04 1.79 2.09 1dlcA1 LYS 508 HG2 0.08 0.03 -0.14 -0.04 1.46 1.38 1dlcA1 LYS 508 HG3 0.07 -0.20 -0.18 -0.04 1.46 1.10 1dlcA1 LYS 508 HD2 0.06 -0.07 -0.11 -0.04 1.69 1.54 1dlcA1 LYS 508 HD3 0.07 0.11 -0.38 -0.04 1.68 1.43 1dlcA1 LYS 508 HE2 0.08 0.02 -0.08 -0.04 2.99 2.96 1dlcA1 LYS 508 HE3 0.06 -0.10 -0.07 -0.04 2.99 2.85 1dlcA1 ILE 509 H 0.12 0.59 0.26 -0.55 8.25 8.68 1dlcA1 ILE 509 HA 0.16 0.31 0.87 -0.75 4.18 4.76 1dlcA1 ILE 509 HB 0.22 0.02 0.11 -0.04 1.89 2.20 1dlcA1 ILE 509 HG12 0.10 0.01 0.03 -0.04 1.49 1.59 1dlcA1 ILE 509 HG13 0.12 -0.03 -0.03 -0.04 1.21 1.23 1dlcA1 ILE 509 HG23 0.21 -0.01 -0.19 -0.04 0.93 0.89 1dlcA1 ILE 509 HD13 0.10 0.00 -0.01 -0.04 0.88 0.94 1dlcA1 THR 510 H 0.20 0.52 0.32 -0.55 8.28 8.78 1dlcA1 THR 510 HA 0.12 0.23 1.17 -0.75 4.39 5.15 1dlcA1 THR 510 HB 0.22 -0.07 0.19 -0.04 4.32 4.61 1dlcA1 THR 510 HG23 0.09 0.03 -0.16 -0.04 1.22 1.13 1dlcA1 GLN 511 H 0.09 0.76 0.33 -0.55 8.47 9.10 1dlcA1 GLN 511 HA 0.10 0.11 0.92 -0.75 4.36 4.73 1dlcA1 GLN 511 HB2 0.03 0.06 0.25 -0.04 2.15 2.46 1dlcA1 GLN 511 HB3 0.03 -0.05 -0.03 -0.04 2.02 1.93 1dlcA1 GLN 511 HG2 0.10 -0.03 -0.12 -0.04 2.40 2.31 1dlcA1 GLN 511 HG3 0.08 0.03 -0.15 -0.04 2.39 2.31 1dlcA1 GLN 511 HE21 -0.09 0.02 -0.11 -0.04 6.97 6.76 1dlcA1 GLN 511 HE22 0.06 -0.04 -0.14 -0.04 7.69 7.53 1dlcA1 LEU 512 H 0.09 0.85 0.32 -0.55 8.37 9.09 1dlcA1 LEU 512 HA 0.07 0.23 0.96 -0.75 4.35 4.85 1dlcA1 LEU 512 HB2 0.26 0.09 0.08 -0.04 1.64 2.03 1dlcA1 LEU 512 HB3 0.13 -0.07 -0.02 -0.04 1.64 1.63 1dlcA1 LEU 512 HG 0.17 -0.01 -0.24 -0.04 1.64 1.52 1dlcA1 LEU 512 HD13 0.22 -0.00 -0.14 -0.04 0.93 0.97 1dlcA1 LEU 512 HD23 0.05 0.02 -0.02 -0.04 0.89 0.90 1dlcA1 PRO 513 HA 0.02 0.19 0.61 -0.51 4.44 4.74 1dlcA1 PRO 513 HB2 -0.02 -0.09 0.06 -0.04 2.28 2.20 1dlcA1 PRO 513 HB3 -0.01 0.07 0.09 -0.04 2.02 2.14 1dlcA1 PRO 513 HG2 -0.04 0.04 0.02 -0.04 2.03 2.00 1dlcA1 PRO 513 HG3 -0.01 0.09 0.01 -0.04 2.03 2.07 1dlcA1 PRO 513 HD2 -0.01 0.07 0.19 -0.04 3.68 3.89 1dlcA1 PRO 513 HD3 0.01 0.40 0.13 -0.04 3.65 4.15 1dlcA1 LEU 514 H 0.02 0.66 0.32 -0.55 8.37 8.82 1dlcA1 LEU 514 HA 0.02 0.08 0.35 -0.75 4.35 4.04 1dlcA1 LEU 514 HB2 0.02 0.20 0.00 -0.04 1.64 1.82 1dlcA1 LEU 514 HB3 0.02 -0.04 -0.10 -0.04 1.64 1.47 1dlcA1 LEU 514 HG -0.02 -0.04 -0.13 -0.04 1.64 1.41 1dlcA1 LEU 514 HD13 -0.02 -0.01 -0.06 -0.04 0.93 0.80 1dlcA1 LEU 514 HD23 -0.02 0.01 -0.22 -0.04 0.89 0.62 1dlcA1 VAL 515 H 0.02 0.17 -0.29 -0.55 8.24 7.59 1dlcA1 VAL 515 HA 0.04 0.07 0.40 -0.75 4.13 3.88 1dlcA1 VAL 515 HB 0.05 0.03 0.11 -0.04 2.12 2.27 1dlcA1 VAL 515 HG13 0.01 -0.01 -0.20 -0.04 0.97 0.72 1dlcA1 VAL 515 HG23 0.05 -0.00 -0.09 -0.04 0.95 0.86 1dlcA1 LYS 516 H 0.04 0.43 -0.57 -0.55 8.42 7.76 1dlcA1 LYS 516 HA 0.10 0.07 0.62 -0.75 4.32 4.36 1dlcA1 LYS 516 HB2 0.03 0.15 0.02 -0.04 1.87 2.02 1dlcA1 LYS 516 HB3 0.02 -0.01 0.12 -0.04 1.79 1.89 1dlcA1 LYS 516 HG2 -0.05 -0.09 -0.03 -0.04 1.46 1.25 1dlcA1 LYS 516 HG3 -0.06 -0.01 0.04 -0.04 1.46 1.39 1dlcA1 LYS 516 HD2 -0.18 0.01 -0.06 -0.04 1.69 1.43 1dlcA1 LYS 516 HD3 -0.47 -0.05 -0.07 -0.04 1.68 1.05 1dlcA1 LYS 516 HE2 -0.02 0.03 0.04 -0.04 2.99 2.99 1dlcA1 LYS 516 HE3 -0.22 -0.03 -0.11 -0.04 2.99 2.59 1dlcA1 ALA 517 H 0.05 0.35 -0.38 -0.55 8.40 7.87 1dlcA1 ALA 517 HA 0.05 -0.04 0.56 -0.75 4.34 4.15 1dlcA1 ALA 517 HB3 -0.03 -0.01 0.01 -0.04 1.41 1.33 1dlcA1 TYR 518 H -0.19 0.35 0.38 -0.55 8.29 8.28 1dlcA1 TYR 518 HA 0.07 0.21 0.93 -0.75 4.56 5.02 1dlcA1 TYR 518 HB2 0.04 -0.07 0.05 -0.04 3.06 3.04 1dlcA1 TYR 518 HB3 0.05 0.23 -0.09 -0.04 2.98 3.12 1dlcA1 TYR 518 HD2 0.07 -0.02 -0.10 -0.04 7.15 7.06 1dlcA1 TYR 518 HE2 0.10 -0.07 -0.18 -0.04 6.85 6.66 1dlcA1 LYS 519 H -0.34 0.23 0.16 -0.55 8.42 7.93 1dlcA1 LYS 519 HA -0.03 0.15 0.88 -0.75 4.32 4.57 1dlcA1 LYS 519 HB2 -0.15 0.06 -0.26 -0.04 1.87 1.48 1dlcA1 LYS 519 HB3 -0.51 -0.07 0.09 -0.04 1.79 1.26 1dlcA1 LYS 519 HG2 -0.07 0.01 -0.31 -0.04 1.46 1.05 1dlcA1 LYS 519 HG3 0.00 0.05 0.02 -0.04 1.46 1.49 1dlcA1 LYS 519 HD2 0.10 0.02 -0.07 -0.04 1.69 1.71 1dlcA1 LYS 519 HD3 -0.06 -0.06 -0.10 -0.04 1.68 1.42 1dlcA1 LYS 519 HE2 0.00 -0.02 -0.12 -0.04 2.99 2.81 1dlcA1 LYS 519 HE3 0.04 0.02 -0.04 -0.04 2.99 2.97 1dlcA1 LEU 520 H -0.01 0.19 0.16 -0.55 8.37 8.16 1dlcA1 LEU 520 HA -0.04 0.28 1.06 -0.75 4.35 4.89 1dlcA1 LEU 520 HB2 0.00 -0.03 0.05 -0.04 1.64 1.62 1dlcA1 LEU 520 HB3 -0.00 0.08 0.00 -0.04 1.64 1.67 1dlcA1 LEU 520 HG 0.00 -0.04 -0.23 -0.04 1.64 1.33 1dlcA1 LEU 520 HD13 0.02 0.00 -0.24 -0.04 0.93 0.67 1dlcA1 LEU 520 HD23 -0.01 0.01 -0.08 -0.04 0.89 0.77 1dlcA1 GLN 521 H -0.02 0.71 0.27 -0.55 8.47 8.89 1dlcA1 GLN 521 HA -0.01 0.09 0.65 -0.75 4.36 4.34 1dlcA1 GLN 521 HB2 -0.01 -0.09 -0.02 -0.04 2.15 1.99 1dlcA1 GLN 521 HB3 -0.01 0.12 -0.26 -0.04 2.02 1.83 1dlcA1 GLN 521 HG2 -0.03 0.15 -0.54 -0.04 2.40 1.94 1dlcA1 GLN 521 HG3 -0.02 -0.09 -0.48 -0.04 2.39 1.76 1dlcA1 GLN 521 HE21 -0.06 0.04 -0.37 -0.04 6.97 6.53 1dlcA1 GLN 521 HE22 -0.05 -0.11 -0.53 -0.04 7.69 6.95 1dlcA1 SER 522 H -0.00 0.13 0.10 -0.55 8.46 8.15 1dlcA1 SER 522 HA -0.01 -0.00 0.30 -0.75 4.49 4.03 1dlcA1 SER 522 HB2 -0.01 0.46 -0.05 -0.04 3.95 4.31 1dlcA1 SER 522 HB3 -0.01 -0.04 0.03 -0.04 3.93 3.87 1dlcA1 GLY 523 H -0.00 0.02 -0.32 -0.55 8.43 7.58 1dlcA1 GLY 523 HA2 -0.00 0.02 0.24 -0.51 4.01 3.75 1dlcA1 GLY 523 HA3 -0.01 0.05 0.45 -0.51 4.01 4.00 1dlcA1 ALA 524 H -0.01 0.20 -0.22 -0.55 8.40 7.83 1dlcA1 ALA 524 HA -0.01 0.22 0.83 -0.75 4.34 4.62 1dlcA1 ALA 524 HB3 -0.01 -0.03 0.14 -0.04 1.41 1.47 1dlcA1 SER 525 H -0.00 0.46 0.32 -0.55 8.46 8.69 1dlcA1 SER 525 HA 0.02 0.09 0.59 -0.75 4.49 4.43 1dlcA1 SER 525 HB2 0.02 0.04 0.05 -0.04 3.95 4.02 1dlcA1 SER 525 HB3 0.01 0.07 -0.25 -0.04 3.93 3.72 1dlcA1 VAL 526 H 0.03 0.17 0.09 -0.55 8.24 7.98 1dlcA1 VAL 526 HA 0.03 0.19 0.66 -0.75 4.13 4.26 1dlcA1 VAL 526 HB 0.03 0.16 -0.27 -0.04 2.12 2.00 1dlcA1 VAL 526 HG13 -0.02 0.02 -0.31 -0.04 0.97 0.62 1dlcA1 VAL 526 HG23 0.03 -0.03 -0.21 -0.04 0.95 0.70 1dlcA1 VAL 527 H 0.05 0.79 0.36 -0.55 8.24 8.89 1dlcA1 VAL 527 HA 0.05 0.13 0.81 -0.75 4.13 4.37 1dlcA1 VAL 527 HB 0.12 -0.00 -0.07 -0.04 2.12 2.13 1dlcA1 VAL 527 HG13 0.12 0.00 -0.13 -0.04 0.97 0.92 1dlcA1 VAL 527 HG23 0.08 -0.00 -0.18 -0.04 0.95 0.81 1dlcA1 ALA 528 H 0.04 0.13 0.12 -0.55 8.40 8.15 1dlcA1 ALA 528 HA 0.01 -0.01 0.48 -0.75 4.34 4.07 1dlcA1 ALA 528 HB3 0.03 0.03 0.08 -0.04 1.41 1.51 1dlcA1 GLY 529 H -0.03 0.06 0.16 -0.55 8.43 8.07 1dlcA1 GLY 529 HA2 -0.07 0.12 0.48 -0.51 4.01 4.03 1dlcA1 GLY 529 HA3 -0.11 0.24 0.40 -0.51 4.01 4.04 1dlcA1 PRO 530 HA -0.09 0.16 0.38 -0.51 4.44 4.39 1dlcA1 PRO 530 HB2 -0.40 0.06 0.04 -0.04 2.28 1.94 1dlcA1 PRO 530 HB3 -0.09 0.05 0.06 -0.04 2.02 1.99 1dlcA1 PRO 530 HG2 -1.28 -0.15 -0.08 -0.04 2.03 0.47 1dlcA1 PRO 530 HG3 -0.52 0.09 -0.07 -0.04 2.03 1.48 1dlcA1 PRO 530 HD2 -0.30 0.12 0.15 -0.04 3.68 3.61 1dlcA1 PRO 530 HD3 -0.12 0.18 0.10 -0.04 3.65 3.77 1dlcA1 ARG 531 H -0.19 0.07 -0.86 -0.55 8.46 6.92 1dlcA1 ARG 531 HA -0.12 0.01 0.20 -0.75 4.34 3.68 1dlcA1 ARG 531 HB2 0.05 0.18 0.23 -0.04 1.90 2.33 1dlcA1 ARG 531 HB3 -0.12 -0.04 0.13 -0.04 1.80 1.73 1dlcA1 ARG 531 HG2 0.03 0.02 -0.46 -0.04 1.67 1.21 1dlcA1 ARG 531 HG3 0.15 -0.01 -0.08 -0.04 1.67 1.69 1dlcA1 ARG 531 HD2 0.15 -0.00 -0.06 -0.04 3.22 3.26 1dlcA1 ARG 531 HD3 -0.04 -0.02 -0.03 -0.04 3.22 3.10 1dlcA1 PHE 532 H -0.63 0.07 -0.51 -0.55 8.34 6.72 1dlcA1 PHE 532 HA -0.09 0.31 0.94 -0.75 4.62 5.02 1dlcA1 PHE 532 HB2 0.02 0.08 0.04 -0.04 3.15 3.25 1dlcA1 PHE 532 HB3 0.01 0.03 -0.14 -0.04 3.06 2.91 1dlcA1 PHE 532 HD2 0.04 0.09 -0.22 -0.04 7.28 7.15 1dlcA1 PHE 532 HE2 -0.08 0.08 -0.19 -0.04 7.38 7.15 1dlcA1 PHE 532 HZ 0.23 0.07 -0.42 -0.04 7.32 7.16 1dlcA1 THR 533 H -0.30 -0.03 -0.11 -0.55 8.28 7.29 1dlcA1 THR 533 HA -0.06 0.37 0.93 -0.75 4.39 4.89 1dlcA1 THR 533 HB -0.17 0.05 0.09 -0.04 4.32 4.26 1dlcA1 THR 533 HG23 -0.62 -0.01 -0.15 -0.04 1.22 0.40 1dlcA1 GLY 534 H -0.11 0.11 -0.23 -0.55 8.43 7.65 1dlcA1 GLY 534 HA2 -0.10 0.07 0.26 -0.51 4.01 3.73 1dlcA1 GLY 534 HA3 -0.09 0.21 0.51 -0.51 4.01 4.13 1dlcA1 GLY 535 H -0.10 0.14 -0.45 -0.55 8.43 7.48 1dlcA1 GLY 535 HA2 -0.03 0.04 0.29 -0.51 4.01 3.81 1dlcA1 GLY 535 HA3 -0.02 0.06 0.29 -0.51 4.01 3.83 1dlcA1 ASP 536 H -0.02 0.17 0.07 -0.55 8.40 8.06 1dlcA1 ASP 536 HA -0.04 0.02 0.77 -0.75 4.63 4.63 1dlcA1 ASP 536 HB2 -0.04 0.03 0.05 -0.04 2.71 2.71 1dlcA1 ASP 536 HB3 -0.01 0.30 0.16 -0.04 2.70 3.11 1dlcA1 ILE 537 H 0.02 0.54 0.18 -0.55 8.25 8.43 1dlcA1 ILE 537 HA 0.04 0.23 0.97 -0.75 4.18 4.66 1dlcA1 ILE 537 HB 0.15 0.06 -0.04 -0.04 1.89 2.02 1dlcA1 ILE 537 HG12 0.06 0.06 -0.19 -0.04 1.49 1.38 1dlcA1 ILE 537 HG13 0.19 -0.03 -0.38 -0.04 1.21 0.96 1dlcA1 ILE 537 HG23 -0.01 -0.02 -0.23 -0.04 0.93 0.64 1dlcA1 ILE 537 HD13 0.13 -0.02 -0.15 -0.04 0.88 0.80 1dlcA1 ILE 538 H 0.09 0.59 0.30 -0.55 8.25 8.68 1dlcA1 ILE 538 HA 0.05 0.28 1.04 -0.75 4.18 4.80 1dlcA1 ILE 538 HB 0.04 0.02 0.11 -0.04 1.89 2.02 1dlcA1 ILE 538 HG12 0.01 0.01 -0.19 -0.04 1.49 1.28 1dlcA1 ILE 538 HG13 0.02 0.03 -0.26 -0.04 1.21 0.96 1dlcA1 ILE 538 HG23 0.01 -0.02 -0.27 -0.04 0.93 0.61 1dlcA1 ILE 538 HD13 0.03 -0.02 -0.50 -0.04 0.88 0.35 1dlcA1 GLN 539 H 0.03 0.77 0.35 -0.55 8.47 9.07 1dlcA1 GLN 539 HA -0.16 0.23 1.02 -0.75 4.36 4.69 1dlcA1 GLN 539 HB2 0.06 -0.03 -0.03 -0.04 2.15 2.11 1dlcA1 GLN 539 HB3 -0.01 0.01 0.12 -0.04 2.02 2.10 1dlcA1 GLN 539 HG2 -0.18 0.02 -0.33 -0.04 2.40 1.87 1dlcA1 GLN 539 HG3 -0.48 -0.02 -0.08 -0.04 2.39 1.76 1dlcA1 GLN 539 HE21 0.01 -0.01 -0.08 -0.04 6.97 6.84 1dlcA1 GLN 539 HE22 -0.03 0.01 -0.12 -0.04 7.69 7.51 1dlcA1 CYS 540 H -0.17 0.87 0.40 -0.55 8.50 9.05 1dlcA1 CYS 540 HA -0.04 0.14 0.94 -0.75 4.58 4.86 1dlcA1 CYS 540 HB2 -0.03 -0.05 0.13 -0.04 2.97 2.98 1dlcA1 CYS 540 HB3 -0.02 0.08 0.02 -0.04 2.97 3.00 1dlcA1 THR 541 H -0.05 0.22 0.16 -0.55 8.28 8.07 1dlcA1 THR 541 HA -0.07 0.28 1.05 -0.75 4.39 4.89 1dlcA1 THR 541 HB -0.04 -0.05 0.14 -0.04 4.32 4.33 1dlcA1 THR 541 HG23 -0.07 -0.00 -0.18 -0.04 1.22 0.93 1dlcA1 GLU 542 H -0.03 0.14 0.11 -0.55 8.60 8.27 1dlcA1 GLU 542 HA -0.03 0.15 0.92 -0.75 4.29 4.58 1dlcA1 GLU 542 HB2 -0.02 0.27 0.06 -0.04 2.09 2.37 1dlcA1 GLU 542 HB3 -0.02 -0.00 0.03 -0.04 1.99 1.96 1dlcA1 GLU 542 HG2 -0.02 -0.04 -0.02 -0.04 2.34 2.22 1dlcA1 GLU 542 HG3 -0.02 -0.05 -0.43 -0.04 2.34 1.80 1dlcA1 ASN 543 H -0.02 0.10 0.13 -0.55 8.53 8.19 1dlcA1 ASN 543 HA -0.03 0.19 0.64 -0.75 4.76 4.80 1dlcA1 ASN 543 HB2 -0.02 -0.00 0.22 -0.04 2.88 3.03 1dlcA1 ASN 543 HB3 -0.03 0.02 0.12 -0.04 2.79 2.86 1dlcA1 ASN 543 HD21 -0.03 0.37 0.16 -0.04 7.03 7.48 1dlcA1 ASN 543 HD22 -0.03 0.01 0.10 -0.04 7.74 7.78 1dlcA1 GLY 544 H -0.02 0.76 0.49 -0.55 8.43 9.12 1dlcA1 GLY 544 HA2 -0.01 -0.06 0.29 -0.51 4.01 3.72 1dlcA1 GLY 544 HA3 -0.01 0.11 0.79 -0.51 4.01 4.39 1dlcA1 SER 545 H -0.01 0.06 0.09 -0.55 8.46 8.06 1dlcA1 SER 545 HA -0.01 0.05 0.47 -0.75 4.49 4.25 1dlcA1 SER 545 HB2 -0.01 -0.05 -0.04 -0.04 3.95 3.81 1dlcA1 SER 545 HB3 -0.02 0.00 -0.10 -0.04 3.93 3.77 1dlcA1 ALA 546 H -0.02 0.18 0.22 -0.55 8.40 8.24 1dlcA1 ALA 546 HA -0.01 0.30 0.91 -0.75 4.34 4.79 1dlcA1 ALA 546 HB3 0.01 0.02 -0.00 -0.04 1.41 1.39 1dlcA1 ALA 547 H -0.03 0.35 0.36 -0.55 8.40 8.53 1dlcA1 ALA 547 HA -0.07 0.32 1.02 -0.75 4.34 4.85 1dlcA1 ALA 547 HB3 -0.04 0.01 -0.05 -0.04 1.41 1.29 1dlcA1 THR 548 H -0.19 0.65 0.33 -0.55 8.28 8.53 1dlcA1 THR 548 HA -0.09 0.29 1.02 -0.75 4.39 4.86 1dlcA1 THR 548 HB -0.47 -0.04 0.13 -0.04 4.32 3.90 1dlcA1 THR 548 HG23 -0.03 0.00 -0.23 -0.04 1.22 0.92 1dlcA1 ILE 549 H -0.02 0.80 0.31 -0.55 8.25 8.79 1dlcA1 ILE 549 HA 0.07 0.05 1.01 -0.75 4.18 4.56 1dlcA1 ILE 549 HB 0.02 -0.05 -0.08 -0.04 1.89 1.74 1dlcA1 ILE 549 HG12 0.09 0.06 -0.31 -0.04 1.49 1.29 1dlcA1 ILE 549 HG13 0.11 0.13 -0.08 -0.04 1.21 1.33 1dlcA1 ILE 549 HG23 0.04 -0.00 -0.02 -0.04 0.93 0.91 1dlcA1 ILE 549 HD13 0.07 -0.03 -0.22 -0.04 0.88 0.66 1dlcA1 TYR 550 H 0.39 0.28 0.16 -0.55 8.29 8.57 1dlcA1 TYR 550 HA 0.12 0.11 0.85 -0.75 4.56 4.89 1dlcA1 TYR 550 HB2 0.14 -0.09 0.04 -0.04 3.06 3.10 1dlcA1 TYR 550 HB3 0.04 0.20 -0.09 -0.04 2.98 3.09 1dlcA1 TYR 550 HD2 -0.02 0.01 -0.31 -0.04 7.15 6.80 1dlcA1 TYR 550 HE2 0.01 -0.03 -0.11 -0.04 6.85 6.67 1dlcA1 VAL 551 H -0.47 0.59 0.40 -0.55 8.24 8.21 1dlcA1 VAL 551 HA -0.06 0.33 1.01 -0.75 4.13 4.65 1dlcA1 VAL 551 HB -0.19 0.02 0.12 -0.04 2.12 2.03 1dlcA1 VAL 551 HG13 -0.32 -0.02 -0.16 -0.04 0.97 0.43 1dlcA1 VAL 551 HG23 -0.11 -0.00 -0.19 -0.04 0.95 0.61 1dlcA1 THR 552 H -0.05 0.65 0.22 -0.55 8.28 8.55 1dlcA1 THR 552 HA -0.05 0.19 1.02 -0.75 4.39 4.80 1dlcA1 THR 552 HB 0.08 -0.05 -0.07 -0.04 4.32 4.24 1dlcA1 THR 552 HG23 0.00 -0.03 -0.17 -0.04 1.22 0.99 1dlcA1 PRO 553 HA -0.15 0.02 0.61 -0.51 4.44 4.42 1dlcA1 PRO 553 HB2 -0.09 0.07 0.12 -0.04 2.28 2.34 1dlcA1 PRO 553 HB3 -0.11 -0.00 0.17 -0.04 2.02 2.04 1dlcA1 PRO 553 HG2 -0.12 0.15 0.15 -0.04 2.03 2.17 1dlcA1 PRO 553 HG3 -0.19 -0.02 0.07 -0.04 2.03 1.85 1dlcA1 PRO 553 HD2 -0.09 0.06 0.22 -0.04 3.68 3.82 1dlcA1 PRO 553 HD3 -0.16 0.34 0.02 -0.04 3.65 3.80 1dlcA1 ASP 554 H -0.07 0.34 0.27 -0.55 8.40 8.39 1dlcA1 ASP 554 HA -0.06 0.18 0.70 -0.75 4.63 4.70 1dlcA1 ASP 554 HB2 -0.03 -0.03 0.10 -0.04 2.71 2.72 1dlcA1 ASP 554 HB3 -0.03 0.07 -0.02 -0.04 2.70 2.68 1dlcA1 VAL 555 H -0.12 0.14 -0.04 -0.55 8.24 7.67 1dlcA1 VAL 555 HA -0.12 0.22 1.00 -0.75 4.13 4.47 1dlcA1 VAL 555 HB -0.66 -0.15 0.11 -0.04 2.12 1.38 1dlcA1 VAL 555 HG13 -0.10 -0.00 -0.09 -0.04 0.97 0.73 1dlcA1 VAL 555 HG23 -0.53 0.04 -0.05 -0.04 0.95 0.37 1dlcA1 SER 556 H -0.12 0.05 0.15 -0.55 8.46 7.99 1dlcA1 SER 556 HA -0.07 0.21 0.63 -0.75 4.49 4.50 1dlcA1 SER 556 HB2 0.01 -0.00 -0.02 -0.04 3.95 3.90 1dlcA1 SER 556 HB3 -0.02 0.05 0.04 -0.04 3.93 3.96 1dlcA1 TYR 557 H -0.10 -0.03 0.06 -0.55 8.29 7.67 1dlcA1 TYR 557 HA -0.01 0.11 0.47 -0.75 4.56 4.37 1dlcA1 TYR 557 HB2 -0.02 -0.01 0.04 -0.04 3.06 3.03 1dlcA1 TYR 557 HB3 -0.02 0.00 0.09 -0.04 2.98 3.02 1dlcA1 TYR 557 HD2 -0.03 -0.00 -0.23 -0.04 7.15 6.85 1dlcA1 TYR 557 HE2 -0.04 0.04 -0.03 -0.04 6.85 6.78 1dlcA1 SER 558 H 0.16 0.09 0.09 -0.55 8.46 8.25 1dlcA1 SER 558 HA 0.02 0.17 0.28 -0.75 4.49 4.21 1dlcA1 SER 558 HB2 0.03 0.03 0.15 -0.04 3.95 4.12 1dlcA1 SER 558 HB3 0.03 0.02 0.08 -0.04 3.93 4.03 1dlcA1 GLN 559 H -0.06 0.59 0.19 -0.55 8.47 8.64 1dlcA1 GLN 559 HA 0.03 -0.01 0.42 -0.75 4.36 4.05 1dlcA1 GLN 559 HB2 -0.14 -0.07 0.07 -0.04 2.15 1.96 1dlcA1 GLN 559 HB3 -0.13 -0.01 0.12 -0.04 2.02 1.95 1dlcA1 GLN 559 HG2 -0.35 -0.05 -0.02 -0.04 2.40 1.94 1dlcA1 GLN 559 HG3 -0.97 0.14 -0.27 -0.04 2.39 1.26 1dlcA1 GLN 559 HE21 0.07 -0.02 0.01 -0.04 6.97 6.99 1dlcA1 GLN 559 HE22 0.14 -0.10 0.02 -0.04 7.69 7.71 1dlcA1 LYS 560 H -0.20 0.17 0.29 -0.55 8.42 8.12 1dlcA1 LYS 560 HA -0.16 0.22 0.82 -0.75 4.32 4.45 1dlcA1 LYS 560 HB2 -0.13 0.12 0.14 -0.04 1.87 1.96 1dlcA1 LYS 560 HB3 -0.13 -0.01 -0.02 -0.04 1.79 1.58 1dlcA1 LYS 560 HG2 -0.04 -0.05 -0.17 -0.04 1.46 1.17 1dlcA1 LYS 560 HG3 -0.05 0.08 -0.15 -0.04 1.46 1.30 1dlcA1 LYS 560 HD2 -0.02 -0.05 -0.03 -0.04 1.69 1.55 1dlcA1 LYS 560 HD3 -0.05 -0.06 0.00 -0.04 1.68 1.54 1dlcA1 LYS 560 HE2 -0.02 -0.02 -0.05 -0.04 2.99 2.85 1dlcA1 LYS 560 HE3 -0.04 0.06 -0.10 -0.04 2.99 2.86 1dlcA1 TYR 561 H -0.33 0.57 0.42 -0.55 8.29 8.40 1dlcA1 TYR 561 HA -0.17 0.32 0.99 -0.75 4.56 4.95 1dlcA1 TYR 561 HB2 -0.87 -0.03 -0.04 -0.04 3.06 2.08 1dlcA1 TYR 561 HB3 -0.16 0.01 -0.02 -0.04 2.98 2.77 1dlcA1 TYR 561 HD2 -0.11 0.02 -0.32 -0.04 7.15 6.71 1dlcA1 TYR 561 HE2 -0.08 0.07 -0.15 -0.04 6.85 6.65 1dlcA1 ARG 562 H 0.05 0.54 0.36 -0.55 8.46 8.86 1dlcA1 ARG 562 HA 0.09 0.19 0.81 -0.75 4.34 4.67 1dlcA1 ARG 562 HB2 0.05 -0.03 0.08 -0.04 1.90 1.97 1dlcA1 ARG 562 HB3 0.09 0.06 0.01 -0.04 1.80 1.92 1dlcA1 ARG 562 HG2 -0.01 -0.06 -0.18 -0.04 1.67 1.38 1dlcA1 ARG 562 HG3 0.02 -0.02 -0.05 -0.04 1.67 1.59 1dlcA1 ARG 562 HD2 0.07 0.02 -0.12 -0.04 3.22 3.15 1dlcA1 ARG 562 HD3 0.03 -0.06 -0.06 -0.04 3.22 3.09 1dlcA1 ALA 563 H 0.32 0.22 0.17 -0.55 8.40 8.56 1dlcA1 ALA 563 HA 0.02 0.45 1.16 -0.75 4.34 5.22 1dlcA1 ALA 563 HB3 0.03 -0.02 0.01 -0.04 1.41 1.39 1dlcA1 ARG 564 H -0.02 0.53 0.33 -0.55 8.46 8.75 1dlcA1 ARG 564 HA 0.22 0.21 0.86 -0.75 4.34 4.88 1dlcA1 ARG 564 HB2 0.05 -0.03 -0.04 -0.04 1.90 1.84 1dlcA1 ARG 564 HB3 0.09 0.00 -0.28 -0.04 1.80 1.57 1dlcA1 ARG 564 HG2 0.09 -0.04 -0.29 -0.04 1.67 1.39 1dlcA1 ARG 564 HG3 0.07 0.00 -0.29 -0.04 1.67 1.42 1dlcA1 ARG 564 HD2 -0.01 -0.00 -0.19 -0.04 3.22 2.98 1dlcA1 ARG 564 HD3 -0.00 -0.02 -0.21 -0.04 3.22 2.94 1dlcA1 ILE 565 H 0.16 0.67 0.26 -0.55 8.25 8.80 1dlcA1 ILE 565 HA 0.04 0.25 1.16 -0.75 4.18 4.87 1dlcA1 ILE 565 HB -0.06 -0.02 -0.18 -0.04 1.89 1.59 1dlcA1 ILE 565 HG12 -0.20 -0.05 -0.24 -0.04 1.49 0.97 1dlcA1 ILE 565 HG13 -0.13 0.18 0.09 -0.04 1.21 1.31 1dlcA1 ILE 565 HG23 -0.48 0.02 -0.02 -0.04 0.93 0.40 1dlcA1 ILE 565 HD13 -0.91 -0.02 -0.12 -0.04 0.88 -0.21 1dlcA1 HIS 566 H 0.18 0.62 0.31 -0.55 8.41 8.98 1dlcA1 HIS 566 HA 0.18 0.38 1.06 -0.75 4.63 5.49 1dlcA1 HIS 566 HB2 0.08 0.02 0.06 -0.04 3.26 3.38 1dlcA1 HIS 566 HB3 0.06 -0.27 0.29 -0.04 3.20 3.25 1dlcA1 HIS 566 HD2 0.09 0.07 -0.33 -0.04 6.97 6.75 1dlcA1 HIS 566 HE1 -0.28 0.00 -0.10 -0.04 7.75 7.33 1dlcA1 TYR 567 H 0.03 0.62 0.31 -0.55 8.29 8.70 1dlcA1 TYR 567 HA 0.16 0.12 0.97 -0.75 4.56 5.06 1dlcA1 TYR 567 HB2 0.16 0.08 0.10 -0.04 3.06 3.37 1dlcA1 TYR 567 HB3 0.03 -0.08 -0.23 -0.04 2.98 2.66 1dlcA1 TYR 567 HD2 0.08 0.02 -0.29 -0.04 7.15 6.92 1dlcA1 TYR 567 HE2 0.12 0.06 -0.14 -0.04 6.85 6.85 1dlcA1 ALA 568 H 0.09 0.59 0.38 -0.55 8.40 8.91 1dlcA1 ALA 568 HA -0.46 0.25 0.82 -0.75 4.34 4.19 1dlcA1 ALA 568 HB3 -0.70 -0.02 -0.08 -0.04 1.41 0.57 1dlcA1 SER 569 H -0.05 0.21 0.28 -0.55 8.46 8.35 1dlcA1 SER 569 HA 0.06 0.30 0.99 -0.75 4.49 5.09 1dlcA1 SER 569 HB2 0.24 0.01 -0.13 -0.04 3.95 4.02 1dlcA1 SER 569 HB3 0.20 0.10 0.09 -0.04 3.93 4.27 1dlcA1 THR 570 H 0.01 0.45 0.30 -0.55 8.28 8.49 1dlcA1 THR 570 HA 0.01 0.44 0.77 -0.75 4.39 4.85 1dlcA1 THR 570 HB 0.00 -0.03 0.16 -0.04 4.32 4.41 1dlcA1 THR 570 HG23 0.03 0.05 -0.13 -0.04 1.22 1.13 1dlcA1 SER 571 H -0.00 0.13 -0.10 -0.55 8.46 7.95 1dlcA1 SER 571 HA -0.00 0.15 0.70 -0.75 4.49 4.58 1dlcA1 SER 571 HB2 -0.02 -0.02 0.16 -0.04 3.95 4.03 1dlcA1 SER 571 HB3 -0.02 -0.06 -0.18 -0.04 3.93 3.63 1dlcA1 GLN 572 H -0.01 0.09 0.15 -0.55 8.47 8.15 1dlcA1 GLN 572 HA 0.00 0.18 0.57 -0.75 4.36 4.36 1dlcA1 GLN 572 HB2 -0.02 -0.03 0.14 -0.04 2.15 2.21 1dlcA1 GLN 572 HB3 -0.01 0.05 0.06 -0.04 2.02 2.08 1dlcA1 GLN 572 HG2 0.00 -0.10 0.09 -0.04 2.40 2.35 1dlcA1 GLN 572 HG3 -0.01 -0.01 0.10 -0.04 2.39 2.42 1dlcA1 GLN 572 HE21 -0.03 -0.00 -0.00 -0.04 6.97 6.89 1dlcA1 GLN 572 HE22 -0.02 -0.01 0.02 -0.04 7.69 7.65 1dlcA1 ILE 573 H -0.07 0.57 0.32 -0.55 8.25 8.53 1dlcA1 ILE 573 HA -0.13 0.21 0.87 -0.75 4.18 4.38 1dlcA1 ILE 573 HB -0.43 -0.02 0.02 -0.04 1.89 1.43 1dlcA1 ILE 573 HG12 -0.19 0.14 -0.10 -0.04 1.49 1.31 1dlcA1 ILE 573 HG13 -0.51 -0.09 -0.22 -0.04 1.21 0.35 1dlcA1 ILE 573 HG23 -0.15 -0.00 -0.47 -0.04 0.93 0.26 1dlcA1 ILE 573 HD13 -0.79 -0.02 -0.18 -0.04 0.88 -0.15 1dlcA1 THR 574 H -0.23 0.56 0.31 -0.55 8.28 8.38 1dlcA1 THR 574 HA -0.13 0.33 1.16 -0.75 4.39 4.99 1dlcA1 THR 574 HB -0.15 -0.10 0.07 -0.04 4.32 4.10 1dlcA1 THR 574 HG23 -0.17 0.02 -0.19 -0.04 1.22 0.84 1dlcA1 PHE 575 H 0.24 0.41 0.24 -0.55 8.34 8.68 1dlcA1 PHE 575 HA -0.03 0.36 1.04 -0.75 4.62 5.24 1dlcA1 PHE 575 HB2 -0.14 -0.02 0.04 -0.04 3.15 2.99 1dlcA1 PHE 575 HB3 0.15 0.01 -0.05 -0.04 3.06 3.13 1dlcA1 PHE 575 HD2 -1.01 0.11 -0.08 -0.04 7.28 6.25 1dlcA1 PHE 575 HE2 -0.81 -0.00 -0.18 -0.04 7.38 6.36 1dlcA1 PHE 575 HZ -0.19 -0.00 -0.18 -0.04 7.32 6.91 1dlcA1 THR 576 H 0.16 0.58 0.34 -0.55 8.28 8.81 1dlcA1 THR 576 HA 0.07 0.26 1.09 -0.75 4.39 5.05 1dlcA1 THR 576 HB -0.01 -0.09 0.02 -0.04 4.32 4.20 1dlcA1 THR 576 HG23 -0.07 0.02 -0.06 -0.04 1.22 1.06 1dlcA1 LEU 577 H -0.33 0.79 0.39 -0.55 8.37 8.67 1dlcA1 LEU 577 HA -0.28 0.41 1.13 -0.75 4.35 4.86 1dlcA1 LEU 577 HB2 -1.49 -0.11 0.13 -0.04 1.64 0.13 1dlcA1 LEU 577 HB3 -0.78 0.05 -0.00 -0.04 1.64 0.87 1dlcA1 LEU 577 HG -0.88 -0.04 -0.23 -0.04 1.64 0.45 1dlcA1 LEU 577 HD13 -0.96 0.01 -0.12 -0.04 0.93 -0.18 1dlcA1 LEU 577 HD23 -0.30 0.04 -0.15 -0.04 0.89 0.44 1dlcA1 SER 578 H -0.10 0.52 0.35 -0.55 8.46 8.68 1dlcA1 SER 578 HA 0.06 0.29 0.90 -0.75 4.49 5.00 1dlcA1 SER 578 HB2 -0.00 -0.06 -0.07 -0.04 3.95 3.78 1dlcA1 SER 578 HB3 0.03 -0.07 -0.41 -0.04 3.93 3.45 1dlcA1 LEU 579 H 0.20 0.73 0.20 -0.55 8.37 8.95 1dlcA1 LEU 579 HA 0.05 0.26 0.76 -0.75 4.35 4.67 1dlcA1 LEU 579 HB2 -0.05 0.05 0.02 -0.04 1.64 1.62 1dlcA1 LEU 579 HB3 -0.05 0.02 -0.15 -0.04 1.64 1.42 1dlcA1 LEU 579 HG -0.21 0.01 -0.23 -0.04 1.64 1.17 1dlcA1 LEU 579 HD13 -0.25 0.01 -0.18 -0.04 0.93 0.47 1dlcA1 LEU 579 HD23 -0.07 -0.00 -0.41 -0.04 0.89 0.37 1dlcA1 ASP 580 H 0.02 0.51 0.19 -0.55 8.40 8.58 1dlcA1 ASP 580 HA 0.04 0.02 0.39 -0.75 4.63 4.32 1dlcA1 ASP 580 HB2 0.01 0.16 -0.16 -0.04 2.71 2.67 1dlcA1 ASP 580 HB3 0.02 0.04 0.23 -0.04 2.70 2.95 1dlcA1 GLY 581 H 0.04 0.08 -0.40 -0.55 8.43 7.60 1dlcA1 GLY 581 HA2 0.02 -0.04 0.18 -0.51 4.01 3.67 1dlcA1 GLY 581 HA3 0.03 0.12 0.42 -0.51 4.01 4.06 1dlcA1 ALA 582 H 0.05 0.51 -0.33 -0.55 8.40 8.07 1dlcA1 ALA 582 HA 0.03 0.22 0.97 -0.75 4.34 4.81 1dlcA1 ALA 582 HB3 0.04 0.03 0.03 -0.04 1.41 1.48 1dlcA1 PRO 583 HA -0.05 0.19 0.66 -0.51 4.44 4.73 1dlcA1 PRO 583 HB2 0.00 0.01 -0.01 -0.04 2.28 2.24 1dlcA1 PRO 583 HB3 -0.04 0.01 0.01 -0.04 2.02 1.96 1dlcA1 PRO 583 HG2 0.00 0.02 0.04 -0.04 2.03 2.04 1dlcA1 PRO 583 HG3 -0.01 0.01 -0.03 -0.04 2.03 1.97 1dlcA1 PRO 583 HD2 0.03 0.09 0.20 -0.04 3.68 3.97 1dlcA1 PRO 583 HD3 0.02 0.25 0.24 -0.04 3.65 4.12 1dlcA1 PHE 584 H -0.36 0.46 0.43 -0.55 8.34 8.31 1dlcA1 PHE 584 HA -0.02 0.19 0.88 -0.75 4.62 4.92 1dlcA1 PHE 584 HB2 -0.03 -0.01 0.08 -0.04 3.15 3.15 1dlcA1 PHE 584 HB3 -0.06 0.04 -0.15 -0.04 3.06 2.85 1dlcA1 PHE 584 HD2 -0.20 0.02 -0.23 -0.04 7.28 6.83 1dlcA1 PHE 584 HE2 -1.26 0.01 -0.36 -0.04 7.38 5.73 1dlcA1 PHE 584 HZ -0.73 0.01 -0.19 -0.04 7.32 6.36 1dlcA1 ASN 585 H -0.69 0.23 0.33 -0.55 8.53 7.85 1dlcA1 ASN 585 HA -0.04 0.18 0.86 -0.75 4.76 5.00 1dlcA1 ASN 585 HB2 -0.98 -0.02 -0.16 -0.04 2.88 1.68 1dlcA1 ASN 585 HB3 -0.64 -0.05 -0.04 -0.04 2.79 2.01 1dlcA1 ASN 585 HD21 0.29 0.44 -0.01 -0.04 7.03 7.71 1dlcA1 ASN 585 HD22 -0.02 -0.08 -0.12 -0.04 7.74 7.48 1dlcA1 GLN 586 H 0.13 0.32 0.20 -0.55 8.47 8.58 1dlcA1 GLN 586 HA 0.19 0.32 0.89 -0.75 4.36 5.01 1dlcA1 GLN 586 HB2 0.00 -0.00 -0.10 -0.04 2.15 2.01 1dlcA1 GLN 586 HB3 0.04 -0.03 0.05 -0.04 2.02 2.03 1dlcA1 GLN 586 HG2 -0.11 -0.00 -0.20 -0.04 2.40 2.05 1dlcA1 GLN 586 HG3 -0.01 0.07 -0.01 -0.04 2.39 2.40 1dlcA1 GLN 586 HE21 -0.05 -0.02 -0.09 -0.04 6.97 6.76 1dlcA1 GLN 586 HE22 -0.05 0.01 -0.13 -0.04 7.69 7.48 1dlcA1 TYR 587 H 0.27 0.60 0.34 -0.55 8.29 8.96 1dlcA1 TYR 587 HA -0.07 0.11 0.74 -0.75 4.56 4.58 1dlcA1 TYR 587 HB2 0.06 -0.08 -0.21 -0.04 3.06 2.78 1dlcA1 TYR 587 HB3 -0.56 0.07 -0.03 -0.04 2.98 2.41 1dlcA1 TYR 587 HD2 -0.49 0.13 0.19 -0.04 7.15 6.93 1dlcA1 TYR 587 HE2 -0.10 0.02 0.10 -0.04 6.85 6.83 1dlcA1 TYR 588 H -0.83 0.14 0.23 -0.55 8.29 7.28 1dlcA1 TYR 588 HA -0.26 0.26 0.96 -0.75 4.56 4.77 1dlcA1 TYR 588 HB2 -0.60 -0.02 0.12 -0.04 3.06 2.52 1dlcA1 TYR 588 HB3 -0.30 0.04 0.06 -0.04 2.98 2.74 1dlcA1 TYR 588 HD2 -0.38 -0.01 0.04 -0.04 7.15 6.76 1dlcA1 TYR 588 HE2 -0.08 0.01 -0.03 -0.04 6.85 6.71 1dlcA1 PHE 589 H -0.03 0.72 0.37 -0.55 8.34 8.85 1dlcA1 PHE 589 HA -0.05 0.12 0.85 -0.75 4.62 4.78 1dlcA1 PHE 589 HB2 -0.43 -0.04 -0.06 -0.04 3.15 2.58 1dlcA1 PHE 589 HB3 -0.23 0.06 -0.04 -0.04 3.06 2.82 1dlcA1 PHE 589 HD2 -0.10 -0.02 -0.17 -0.04 7.28 6.95 1dlcA1 PHE 589 HE2 -0.25 -0.00 -0.25 -0.04 7.38 6.84 1dlcA1 PHE 589 HZ -1.62 -0.03 -0.27 -0.04 7.32 5.37 1dlcA1 ASP 590 H 0.20 0.13 0.10 -0.55 8.40 8.28 1dlcA1 ASP 590 HA 0.06 0.01 0.50 -0.75 4.63 4.44 1dlcA1 ASP 590 HB2 0.14 0.04 -0.01 -0.04 2.71 2.83 1dlcA1 ASP 590 HB3 0.06 0.07 0.07 -0.04 2.70 2.86 1dlcA1 LYS 591 H 0.04 0.03 0.06 -0.55 8.42 8.00 1dlcA1 LYS 591 HA 0.07 0.14 0.29 -0.75 4.32 4.07 1dlcA1 LYS 591 HB2 0.01 -0.20 -0.36 -0.04 1.87 1.29 1dlcA1 LYS 591 HB3 0.02 -0.07 0.02 -0.04 1.79 1.71 1dlcA1 LYS 591 HG2 0.01 -0.02 -0.42 -0.04 1.46 0.98 1dlcA1 LYS 591 HG3 0.01 0.14 -0.29 -0.04 1.46 1.27 1dlcA1 LYS 591 HD2 -0.00 0.05 -0.00 -0.04 1.69 1.70 1dlcA1 LYS 591 HD3 0.00 -0.10 -0.06 -0.04 1.68 1.48 1dlcA1 LYS 591 HE2 -0.00 -0.09 -0.05 -0.04 2.99 2.81 1dlcA1 LYS 591 HE3 -0.00 -0.04 -0.21 -0.04 2.99 2.70 1dlcA1 THR 592 H 0.01 0.43 0.38 -0.55 8.28 8.55 1dlcA1 THR 592 HA -0.03 0.22 1.09 -0.75 4.39 4.92 1dlcA1 THR 592 HB -0.14 0.17 0.13 -0.04 4.32 4.43 1dlcA1 THR 592 HG23 -0.19 0.01 -0.15 -0.04 1.22 0.86 1dlcA1 ILE 593 H -0.02 0.52 0.34 -0.55 8.25 8.54 1dlcA1 ILE 593 HA -0.03 0.18 0.82 -0.75 4.18 4.39 1dlcA1 ILE 593 HB -0.03 -0.02 0.04 -0.04 1.89 1.85 1dlcA1 ILE 593 HG12 -0.03 -0.08 -0.25 -0.04 1.49 1.09 1dlcA1 ILE 593 HG13 0.01 -0.03 -0.50 -0.04 1.21 0.65 1dlcA1 ILE 593 HG23 -0.10 0.02 -0.18 -0.04 0.93 0.63 1dlcA1 ILE 593 HD13 0.03 0.01 -0.24 -0.04 0.88 0.64 1dlcA1 ASN 594 H -0.01 0.13 0.14 -0.55 8.53 8.24 1dlcA1 ASN 594 HA 0.00 0.18 0.80 -0.75 4.76 4.98 1dlcA1 ASN 594 HB2 -0.00 -0.04 0.08 -0.04 2.88 2.88 1dlcA1 ASN 594 HB3 0.00 0.10 0.03 -0.04 2.79 2.88 1dlcA1 ASN 594 HD21 -0.00 0.01 -0.04 -0.04 7.03 6.96 1dlcA1 ASN 594 HD22 -0.00 -0.01 -0.00 -0.04 7.74 7.68 1dlcA1 LYS 595 H 0.00 0.13 0.19 -0.55 8.42 8.19 1dlcA1 LYS 595 HA 0.02 0.03 0.43 -0.75 4.32 4.05 1dlcA1 LYS 595 HB2 0.00 -0.04 0.18 -0.04 1.87 1.97 1dlcA1 LYS 595 HB3 0.01 0.03 0.05 -0.04 1.79 1.83 1dlcA1 LYS 595 HG2 0.01 0.10 0.16 -0.04 1.46 1.68 1dlcA1 LYS 595 HG3 0.00 -0.05 0.10 -0.04 1.46 1.48 1dlcA1 LYS 595 HD2 0.00 -0.06 0.06 -0.04 1.69 1.65 1dlcA1 LYS 595 HD3 -0.00 0.17 -0.04 -0.04 1.68 1.76 1dlcA1 LYS 595 HE2 -0.00 -0.05 0.04 -0.04 2.99 2.93 1dlcA1 LYS 595 HE3 -0.00 -0.02 0.01 -0.04 2.99 2.94 1dlcA1 GLY 596 H 0.03 0.14 0.18 -0.55 8.43 8.24 1dlcA1 GLY 596 HA2 0.02 -0.00 0.32 -0.51 4.01 3.84 1dlcA1 GLY 596 HA3 0.01 0.08 0.40 -0.51 4.01 3.99 1dlcA1 ASP 597 H 0.01 0.45 -0.27 -0.55 8.40 8.05 1dlcA1 ASP 597 HA -0.00 0.03 0.50 -0.75 4.63 4.40 1dlcA1 ASP 597 HB2 -0.01 0.04 0.07 -0.04 2.71 2.77 1dlcA1 ASP 597 HB3 -0.02 0.08 0.03 -0.04 2.70 2.75 1dlcA1 THR 598 H -0.01 0.09 0.16 -0.55 8.28 7.96 1dlcA1 THR 598 HA -0.03 0.15 0.69 -0.75 4.39 4.44 1dlcA1 THR 598 HB 0.00 0.04 -0.04 -0.04 4.32 4.29 1dlcA1 THR 598 HG23 -0.00 0.02 -0.01 -0.04 1.22 1.18 1dlcA1 LEU 599 H -0.05 0.15 0.04 -0.55 8.37 7.97 1dlcA1 LEU 599 HA -0.03 0.09 0.59 -0.75 4.35 4.25 1dlcA1 LEU 599 HB2 -0.11 -0.01 0.12 -0.04 1.64 1.60 1dlcA1 LEU 599 HB3 0.12 0.01 -0.00 -0.04 1.64 1.72 1dlcA1 LEU 599 HG -0.40 0.02 -0.12 -0.04 1.64 1.11 1dlcA1 LEU 599 HD13 -0.33 0.02 -0.23 -0.04 0.93 0.35 1dlcA1 LEU 599 HD23 -0.72 -0.00 -0.09 -0.04 0.89 0.03 1dlcA1 THR 600 H 0.09 0.18 0.19 -0.55 8.28 8.19 1dlcA1 THR 600 HA 0.26 0.26 0.82 -0.75 4.39 4.98 1dlcA1 THR 600 HB 0.07 -0.10 0.16 -0.04 4.32 4.41 1dlcA1 THR 600 HG23 0.06 0.03 -0.13 -0.04 1.22 1.14 1dlcA1 TYR 601 H -0.02 0.16 0.12 -0.55 8.29 8.00 1dlcA1 TYR 601 HA -0.54 0.10 0.26 -0.75 4.56 3.62 1dlcA1 TYR 601 HB2 -0.38 0.02 0.18 -0.04 3.06 2.84 1dlcA1 TYR 601 HB3 -0.13 -0.05 0.16 -0.04 2.98 2.91 1dlcA1 TYR 601 HD2 -0.39 -0.04 -0.06 -0.04 7.15 6.62 1dlcA1 TYR 601 HE2 -0.03 0.04 -0.06 -0.04 6.85 6.77 1dlcA1 ASN 602 H 0.08 0.02 -0.13 -0.55 8.53 7.96 1dlcA1 ASN 602 HA -0.03 0.19 0.44 -0.75 4.76 4.60 1dlcA1 ASN 602 HB2 0.04 -0.06 0.03 -0.04 2.88 2.84 1dlcA1 ASN 602 HB3 0.02 0.07 0.10 -0.04 2.79 2.94 1dlcA1 ASN 602 HD21 0.06 -0.00 0.01 -0.04 7.03 7.05 1dlcA1 ASN 602 HD22 0.04 -0.01 0.01 -0.04 7.74 7.74 1dlcA1 SER 603 H 0.05 0.42 -0.46 -0.55 8.46 7.92 1dlcA1 SER 603 HA -0.09 0.12 0.44 -0.75 4.49 4.21 1dlcA1 SER 603 HB2 -0.14 0.05 -0.04 -0.04 3.95 3.78 1dlcA1 SER 603 HB3 -0.22 -0.06 -0.02 -0.04 3.93 3.59 1dlcA1 PHE 604 H 0.14 0.26 -0.16 -0.55 8.34 8.03 1dlcA1 PHE 604 HA -0.29 0.23 0.81 -0.75 4.62 4.62 1dlcA1 PHE 604 HB2 -0.16 0.07 0.03 -0.04 3.15 3.06 1dlcA1 PHE 604 HB3 -0.67 0.00 -0.10 -0.04 3.06 2.25 1dlcA1 PHE 604 HD2 -0.24 0.05 -0.22 -0.04 7.28 6.83 1dlcA1 PHE 604 HE2 -0.10 -0.04 -0.22 -0.04 7.38 6.99 1dlcA1 PHE 604 HZ -0.17 -0.03 -0.17 -0.04 7.32 6.91 1dlcA1 ASN 605 H -0.36 0.70 0.42 -0.55 8.53 8.75 1dlcA1 ASN 605 HA 0.02 0.15 0.83 -0.75 4.76 5.00 1dlcA1 ASN 605 HB2 -0.13 0.08 -0.08 -0.04 2.88 2.71 1dlcA1 ASN 605 HB3 -0.51 -0.02 0.06 -0.04 2.79 2.28 1dlcA1 ASN 605 HD21 0.29 -0.04 -0.10 -0.04 7.03 7.14 1dlcA1 ASN 605 HD22 0.43 0.00 -0.10 -0.04 7.74 8.03 1dlcA1 LEU 606 H 0.15 0.22 0.12 -0.55 8.37 8.31 1dlcA1 LEU 606 HA 0.30 0.33 0.99 -0.75 4.35 5.21 1dlcA1 LEU 606 HB2 0.19 0.00 -0.03 -0.04 1.64 1.76 1dlcA1 LEU 606 HB3 0.13 -0.02 0.15 -0.04 1.64 1.85 1dlcA1 LEU 606 HG 0.11 -0.02 -0.28 -0.04 1.64 1.41 1dlcA1 LEU 606 HD13 0.11 0.02 -0.29 -0.04 0.93 0.73 1dlcA1 LEU 606 HD23 0.00 0.01 -0.11 -0.04 0.89 0.75 1dlcA1 ALA 607 H 0.32 0.57 0.24 -0.55 8.40 8.98 1dlcA1 ALA 607 HA 0.22 0.17 1.00 -0.75 4.34 4.98 1dlcA1 ALA 607 HB3 0.49 0.01 0.01 -0.04 1.41 1.88 1dlcA1 SER 608 H 0.17 0.12 0.16 -0.55 8.46 8.36 1dlcA1 SER 608 HA 0.23 0.17 0.88 -0.75 4.49 5.01 1dlcA1 SER 608 HB2 0.07 -0.08 0.04 -0.04 3.95 3.94 1dlcA1 SER 608 HB3 0.10 0.21 0.05 -0.04 3.93 4.26 1dlcA1 PHE 609 H 0.39 0.65 0.35 -0.55 8.34 9.18 1dlcA1 PHE 609 HA -0.12 0.04 0.71 -0.75 4.62 4.50 1dlcA1 PHE 609 HB2 0.11 0.03 0.14 -0.04 3.15 3.39 1dlcA1 PHE 609 HB3 0.01 -0.04 -0.03 -0.04 3.06 2.96 1dlcA1 PHE 609 HD2 0.11 0.04 -0.24 -0.04 7.28 7.15 1dlcA1 PHE 609 HE2 -0.02 0.04 -0.28 -0.04 7.38 7.08 1dlcA1 PHE 609 HZ -0.12 -0.04 -0.23 -0.04 7.32 6.89 1dlcA1 SER 610 H -0.82 0.06 0.12 -0.55 8.46 7.28 1dlcA1 SER 610 HA -0.17 0.08 0.36 -0.75 4.49 4.00 1dlcA1 SER 610 HB2 -0.07 0.03 0.05 -0.04 3.95 3.91 1dlcA1 SER 610 HB3 -0.41 -0.00 0.15 -0.04 3.93 3.63 1dlcA1 THR 611 H 0.04 -0.02 0.07 -0.55 8.28 7.81 1dlcA1 THR 611 HA 0.07 0.13 0.54 -0.75 4.39 4.37 1dlcA1 THR 611 HB 0.16 -0.01 0.09 -0.04 4.32 4.51 1dlcA1 THR 611 HG23 0.12 0.08 0.07 -0.04 1.22 1.45 1dlcA1 PRO 612 HA 0.06 0.33 0.75 -0.51 4.44 5.07 1dlcA1 PRO 612 HB2 0.01 -0.06 -0.04 -0.04 2.28 2.15 1dlcA1 PRO 612 HB3 -0.03 0.04 -0.01 -0.04 2.02 1.98 1dlcA1 PRO 612 HG2 0.02 -0.00 0.05 -0.04 2.03 2.05 1dlcA1 PRO 612 HG3 0.03 0.10 0.04 -0.04 2.03 2.15 1dlcA1 PRO 612 HD2 0.07 0.04 0.24 -0.04 3.68 3.99 1dlcA1 PRO 612 HD3 0.06 0.13 0.29 -0.04 3.65 4.08 1dlcA1 PHE 613 H -0.38 0.56 0.42 -0.55 8.34 8.38 1dlcA1 PHE 613 HA 0.03 0.10 0.78 -0.75 4.62 4.78 1dlcA1 PHE 613 HB2 -0.21 -0.00 0.03 -0.04 3.15 2.93 1dlcA1 PHE 613 HB3 0.17 0.09 -0.30 -0.04 3.06 2.98 1dlcA1 PHE 613 HD2 -0.02 0.14 -0.33 -0.04 7.28 7.03 1dlcA1 PHE 613 HE2 0.10 -0.06 -0.22 -0.04 7.38 7.16 1dlcA1 PHE 613 HZ 0.28 0.01 -0.25 -0.04 7.32 7.32 1dlcA1 GLU 614 H 0.10 0.13 0.18 -0.55 8.60 8.46 1dlcA1 GLU 614 HA 0.06 0.41 0.93 -0.75 4.29 4.94 1dlcA1 GLU 614 HB2 0.01 -0.09 -0.00 -0.04 2.09 1.98 1dlcA1 GLU 614 HB3 0.02 0.02 -0.07 -0.04 1.99 1.92 1dlcA1 GLU 614 HG2 0.00 0.22 -0.29 -0.04 2.34 2.23 1dlcA1 GLU 614 HG3 0.02 -0.08 -0.11 -0.04 2.34 2.12 1dlcA1 LEU 615 H 0.07 0.29 0.07 -0.55 8.37 8.25 1dlcA1 LEU 615 HA -0.05 0.12 0.58 -0.75 4.35 4.24 1dlcA1 LEU 615 HB2 -0.07 0.02 0.21 -0.04 1.64 1.76 1dlcA1 LEU 615 HB3 -0.14 0.10 0.20 -0.04 1.64 1.76 1dlcA1 LEU 615 HG -0.25 0.01 -0.10 -0.04 1.64 1.27 1dlcA1 LEU 615 HD13 -0.50 0.00 -0.04 -0.04 0.93 0.35 1dlcA1 LEU 615 HD23 -0.07 0.01 -0.16 -0.04 0.89 0.63 1dlcA1 SER 616 H -0.08 0.40 -0.20 -0.55 8.46 8.03 1dlcA1 SER 616 HA -0.04 0.14 0.46 -0.75 4.49 4.29 1dlcA1 SER 616 HB2 -0.03 -0.01 0.17 -0.04 3.95 4.03 1dlcA1 SER 616 HB3 -0.03 -0.03 0.00 -0.04 3.93 3.84 1dlcA1 GLY 617 H -0.09 0.50 -0.68 -0.55 8.43 7.61 1dlcA1 GLY 617 HA2 -0.06 0.07 0.36 -0.51 4.01 3.87 1dlcA1 GLY 617 HA3 -0.07 -0.03 0.24 -0.51 4.01 3.64 1dlcA1 ASN 618 H -0.11 -0.02 0.18 -0.55 8.53 8.04 1dlcA1 ASN 618 HA -0.31 0.39 1.19 -0.75 4.76 5.28 1dlcA1 ASN 618 HB2 -0.34 -0.09 0.09 -0.04 2.88 2.51 1dlcA1 ASN 618 HB3 -1.41 0.07 0.14 -0.04 2.79 1.55 1dlcA1 ASN 618 HD21 -0.10 -0.06 0.02 -0.04 7.03 6.85 1dlcA1 ASN 618 HD22 -0.34 0.59 0.27 -0.04 7.74 8.23 1dlcA1 ASN 619 H -0.06 -0.06 0.17 -0.55 8.53 8.04 1dlcA1 ASN 619 HA 0.04 0.33 0.90 -0.75 4.76 5.28 1dlcA1 ASN 619 HB2 0.06 -0.18 0.25 -0.04 2.88 2.98 1dlcA1 ASN 619 HB3 0.13 0.06 -0.01 -0.04 2.79 2.92 1dlcA1 ASN 619 HD21 0.16 0.09 0.01 -0.04 7.03 7.25 1dlcA1 ASN 619 HD22 0.06 -0.11 0.12 -0.04 7.74 7.77 1dlcA1 LEU 620 H 0.01 0.72 0.37 -0.55 8.37 8.93 1dlcA1 LEU 620 HA 0.05 0.27 0.82 -0.75 4.35 4.74 1dlcA1 LEU 620 HB2 0.05 0.01 0.00 -0.04 1.64 1.66 1dlcA1 LEU 620 HB3 0.06 0.05 0.16 -0.04 1.64 1.86 1dlcA1 LEU 620 HG 0.02 -0.05 -0.27 -0.04 1.64 1.30 1dlcA1 LEU 620 HD13 0.13 0.04 -0.07 -0.04 0.93 0.99 1dlcA1 LEU 620 HD23 0.26 -0.00 -0.13 -0.04 0.89 0.98 1dlcA1 GLN 621 H 0.01 0.60 0.40 -0.55 8.47 8.94 1dlcA1 GLN 621 HA -0.03 0.34 1.24 -0.75 4.36 5.15 1dlcA1 GLN 621 HB2 -0.01 -0.03 -0.08 -0.04 2.15 1.99 1dlcA1 GLN 621 HB3 -0.01 -0.10 0.07 -0.04 2.02 1.94 1dlcA1 GLN 621 HG2 -0.03 0.02 -0.35 -0.04 2.40 2.01 1dlcA1 GLN 621 HG3 -0.03 0.07 -0.07 -0.04 2.39 2.31 1dlcA1 GLN 621 HE21 -0.01 0.01 -0.14 -0.04 6.97 6.79 1dlcA1 GLN 621 HE22 -0.02 0.00 -0.24 -0.04 7.69 7.39 1dlcA1 ILE 622 H -0.05 0.53 0.34 -0.55 8.25 8.53 1dlcA1 ILE 622 HA -0.09 0.32 1.07 -0.75 4.18 4.73 1dlcA1 ILE 622 HB -0.07 -0.09 0.15 -0.04 1.89 1.84 1dlcA1 ILE 622 HG12 -0.15 0.01 -0.09 -0.04 1.49 1.22 1dlcA1 ILE 622 HG13 -0.13 0.03 -0.17 -0.04 1.21 0.90 1dlcA1 ILE 622 HG23 -0.19 0.01 -0.10 -0.04 0.93 0.61 1dlcA1 ILE 622 HD13 -0.05 -0.01 -0.13 -0.04 0.88 0.65 1dlcA1 GLY 623 H 0.02 0.65 0.38 -0.55 8.43 8.93 1dlcA1 GLY 623 HA2 0.02 0.15 0.98 -0.51 4.01 4.65 1dlcA1 GLY 623 HA3 0.01 -0.03 0.21 -0.51 4.01 3.69 1dlcA1 VAL 624 H 0.03 0.74 0.31 -0.55 8.24 8.76 1dlcA1 VAL 624 HA 0.01 0.41 1.22 -0.75 4.13 5.01 1dlcA1 VAL 624 HB -0.01 0.04 0.02 -0.04 2.12 2.13 1dlcA1 VAL 624 HG13 -0.25 -0.00 -0.09 -0.04 0.97 0.58 1dlcA1 VAL 624 HG23 0.26 0.01 -0.24 -0.04 0.95 0.93 1dlcA1 THR 625 H -0.13 0.56 0.38 -0.55 8.28 8.54 1dlcA1 THR 625 HA -0.06 0.07 0.72 -0.75 4.39 4.37 1dlcA1 THR 625 HB -0.05 -0.05 0.11 -0.04 4.32 4.28 1dlcA1 THR 625 HG23 -0.03 -0.00 -0.18 -0.04 1.22 0.97 1dlcA1 GLY 626 H -0.06 0.16 0.17 -0.55 8.43 8.15 1dlcA1 GLY 626 HA2 -0.05 0.02 0.31 -0.51 4.01 3.78 1dlcA1 GLY 626 HA3 -0.08 0.21 0.84 -0.51 4.01 4.47 1dlcA1 LEU 627 H -0.06 -0.05 -0.10 -0.55 8.37 7.62 1dlcA1 LEU 627 HA -0.05 0.13 0.59 -0.75 4.35 4.27 1dlcA1 LEU 627 HB2 -0.05 -0.10 -0.18 -0.04 1.64 1.28 1dlcA1 LEU 627 HB3 -0.05 0.16 -0.16 -0.04 1.64 1.55 1dlcA1 LEU 627 HG -0.08 -0.08 -0.40 -0.04 1.64 1.05 1dlcA1 LEU 627 HD13 -0.06 0.04 -0.54 -0.04 0.93 0.34 1dlcA1 LEU 627 HD23 -0.07 0.01 -0.34 -0.04 0.89 0.44 1dlcA1 SER 628 H -0.03 0.17 0.14 -0.55 8.46 8.19 1dlcA1 SER 628 HA -0.02 0.15 0.78 -0.75 4.49 4.64 1dlcA1 SER 628 HB2 -0.02 0.04 -0.02 -0.04 3.95 3.91 1dlcA1 SER 628 HB3 -0.02 -0.03 0.11 -0.04 3.93 3.95 1dlcA1 ALA 629 H -0.02 0.11 0.13 -0.55 8.40 8.08 1dlcA1 ALA 629 HA -0.02 0.07 0.44 -0.75 4.34 4.07 1dlcA1 ALA 629 HB3 -0.01 0.01 0.13 -0.04 1.41 1.50 1dlcA1 GLY 630 H -0.02 0.18 0.24 -0.55 8.43 8.29 1dlcA1 GLY 630 HA2 -0.01 -0.01 0.36 -0.51 4.01 3.84 1dlcA1 GLY 630 HA3 -0.01 0.11 0.60 -0.51 4.01 4.20 1dlcA1 ASP 631 H -0.03 0.54 -0.12 -0.55 8.40 8.24 1dlcA1 ASP 631 HA -0.02 0.06 0.74 -0.75 4.63 4.65 1dlcA1 ASP 631 HB2 -0.04 0.11 0.17 -0.04 2.71 2.92 1dlcA1 ASP 631 HB3 -0.04 -0.01 -0.05 -0.04 2.70 2.55 1dlcA1 LYS 632 H -0.04 0.10 0.22 -0.55 8.42 8.15 1dlcA1 LYS 632 HA -0.15 0.38 0.92 -0.75 4.32 4.72 1dlcA1 LYS 632 HB2 -0.05 -0.06 -0.03 -0.04 1.87 1.69 1dlcA1 LYS 632 HB3 -0.38 -0.01 -0.16 -0.04 1.79 1.20 1dlcA1 LYS 632 HG2 -0.26 -0.03 -0.10 -0.04 1.46 1.03 1dlcA1 LYS 632 HG3 -0.16 0.14 0.01 -0.04 1.46 1.40 1dlcA1 LYS 632 HD2 -0.04 0.05 -0.27 -0.04 1.69 1.39 1dlcA1 LYS 632 HD3 0.00 -0.05 -0.12 -0.04 1.68 1.46 1dlcA1 LYS 632 HE2 -0.03 0.02 -0.09 -0.04 2.99 2.86 1dlcA1 LYS 632 HE3 0.01 -0.03 -0.07 -0.04 2.99 2.86 1dlcA1 VAL 633 H -0.24 0.64 0.31 -0.55 8.24 8.40 1dlcA1 VAL 633 HA -0.03 0.26 1.09 -0.75 4.13 4.70 1dlcA1 VAL 633 HB -0.02 -0.04 0.09 -0.04 2.12 2.11 1dlcA1 VAL 633 HG13 0.21 0.01 -0.16 -0.04 0.97 0.99 1dlcA1 VAL 633 HG23 -0.07 -0.03 -0.21 -0.04 0.95 0.60 1dlcA1 TYR 634 H 0.16 0.71 0.35 -0.55 8.29 8.96 1dlcA1 TYR 634 HA 0.05 0.39 1.09 -0.75 4.56 5.34 1dlcA1 TYR 634 HB2 -0.14 -0.07 0.10 -0.04 3.06 2.91 1dlcA1 TYR 634 HB3 0.07 0.02 -0.06 -0.04 2.98 2.97 1dlcA1 TYR 634 HD2 -0.05 0.03 -0.19 -0.04 7.15 6.90 1dlcA1 TYR 634 HE2 -0.03 0.00 -0.17 -0.04 6.85 6.62 1dlcA1 ILE 635 H 0.15 0.67 0.32 -0.55 8.25 8.84 1dlcA1 ILE 635 HA 0.20 0.19 1.13 -0.75 4.18 4.95 1dlcA1 ILE 635 HB 0.04 -0.05 0.08 -0.04 1.89 1.91 1dlcA1 ILE 635 HG12 0.08 0.03 -0.21 -0.04 1.49 1.35 1dlcA1 ILE 635 HG13 0.12 -0.02 -0.34 -0.04 1.21 0.93 1dlcA1 ILE 635 HG23 -0.06 0.00 -0.18 -0.04 0.93 0.65 1dlcA1 ILE 635 HD13 -0.00 -0.01 -0.15 -0.04 0.88 0.68 1dlcA1 ASP 636 H 0.17 0.67 0.35 -0.55 8.40 9.04 1dlcA1 ASP 636 HA 0.05 0.09 0.88 -0.75 4.63 4.89 1dlcA1 ASP 636 HB2 -0.11 -0.05 -0.02 -0.04 2.71 2.49 1dlcA1 ASP 636 HB3 0.09 0.10 0.20 -0.04 2.70 3.04 1dlcA1 LYS 637 H 0.13 0.31 0.33 -0.55 8.42 8.63 1dlcA1 LYS 637 HA 0.03 0.17 0.95 -0.75 4.32 4.72 1dlcA1 LYS 637 HB2 0.07 -0.04 -0.10 -0.04 1.87 1.77 1dlcA1 LYS 637 HB3 0.04 0.07 -0.17 -0.04 1.79 1.69 1dlcA1 LYS 637 HG2 0.02 0.01 -0.24 -0.04 1.46 1.20 1dlcA1 LYS 637 HG3 0.04 -0.12 -0.44 -0.04 1.46 0.90 1dlcA1 LYS 637 HD2 -0.00 -0.01 -0.13 -0.04 1.69 1.51 1dlcA1 LYS 637 HD3 0.01 -0.01 -0.20 -0.04 1.68 1.44 1dlcA1 LYS 637 HE2 -0.04 0.04 -0.03 -0.04 2.99 2.91 1dlcA1 LYS 637 HE3 -0.02 -0.02 -0.04 -0.04 2.99 2.87 1dlcA1 ILE 638 H 0.01 0.69 0.31 -0.55 8.25 8.71 1dlcA1 ILE 638 HA -0.09 0.19 0.96 -0.75 4.18 4.49 1dlcA1 ILE 638 HB -0.12 -0.06 0.01 -0.04 1.89 1.67 1dlcA1 ILE 638 HG12 -0.35 -0.04 -0.10 -0.04 1.49 0.95 1dlcA1 ILE 638 HG13 -0.72 0.11 -0.15 -0.04 1.21 0.41 1dlcA1 ILE 638 HG23 0.04 0.03 0.02 -0.04 0.93 0.98 1dlcA1 ILE 638 HD13 -0.25 0.02 -0.04 -0.04 0.88 0.56 1dlcA1 GLU 639 H -0.15 0.66 0.36 -0.55 8.60 8.92 1dlcA1 GLU 639 HA 0.00 0.43 1.16 -0.75 4.29 5.13 1dlcA1 GLU 639 HB2 0.02 -0.11 -0.02 -0.04 2.09 1.93 1dlcA1 GLU 639 HB3 0.09 0.07 -0.09 -0.04 1.99 2.01 1dlcA1 GLU 639 HG2 0.09 0.02 -0.20 -0.04 2.34 2.20 1dlcA1 GLU 639 HG3 0.06 -0.06 -0.35 -0.04 2.34 1.94 1dlcA1 PHE 640 H 0.22 0.53 0.31 -0.55 8.34 8.84 1dlcA1 PHE 640 HA 0.10 0.27 1.09 -0.75 4.62 5.32 1dlcA1 PHE 640 HB2 -0.04 -0.04 0.15 -0.04 3.15 3.17 1dlcA1 PHE 640 HB3 -0.16 0.02 -0.03 -0.04 3.06 2.85 1dlcA1 PHE 640 HD2 0.02 0.06 -0.13 -0.04 7.28 7.19 1dlcA1 PHE 640 HE2 0.08 -0.01 -0.18 -0.04 7.38 7.23 1dlcA1 PHE 640 HZ -0.01 -0.03 -0.16 -0.04 7.32 7.09 1dlcA1 ILE 641 H 0.19 0.71 0.30 -0.55 8.25 8.91 1dlcA1 ILE 641 HA 0.15 0.25 1.01 -0.75 4.18 4.84 1dlcA1 ILE 641 HB 0.07 -0.11 0.11 -0.04 1.89 1.92 1dlcA1 ILE 641 HG12 0.07 0.05 -0.12 -0.04 1.49 1.44 1dlcA1 ILE 641 HG13 0.08 -0.08 -0.34 -0.04 1.21 0.83 1dlcA1 ILE 641 HG23 0.03 0.03 -0.17 -0.04 0.93 0.78 1dlcA1 ILE 641 HD13 0.01 -0.00 -0.13 -0.04 0.88 0.72 1dlcA1 PRO 642 HA -0.37 0.11 0.58 -0.51 4.44 4.25 1dlcA1 PRO 642 HB2 -0.06 -0.00 -0.02 -0.04 2.28 2.16 1dlcA1 PRO 642 HB3 0.00 0.03 -0.02 -0.04 2.02 1.99 1dlcA1 PRO 642 HG2 0.03 -0.05 -0.04 -0.04 2.03 1.92 1dlcA1 PRO 642 HG3 0.07 0.01 -0.49 -0.04 2.03 1.58 1dlcA1 PRO 642 HD2 0.12 -0.01 0.10 -0.04 3.68 3.84 1dlcA1 PRO 642 HD3 0.21 0.36 0.06 -0.04 3.65 4.24 1dlcA1 VAL 643 H -0.30 0.79 0.40 -0.55 8.24 8.58 1dlcA1 VAL 643 HA -0.07 0.10 0.83 -0.75 4.13 4.23 1dlcA1 VAL 643 HB -0.10 0.00 -0.16 -0.04 2.12 1.82 1dlcA1 VAL 643 HG13 -0.07 -0.02 -0.24 -0.04 0.97 0.60 1dlcA1 VAL 643 HG23 -0.03 -0.00 -0.14 -0.04 0.95 0.74 1dlcA1 ASN 644 H -0.06 0.12 0.03 -0.55 8.53 8.07 1dlcA1 ASN 644 HA -0.07 0.18 0.55 -0.75 4.76 4.67 1dlcA1 ASN 644 HB2 -0.04 0.01 0.09 -0.04 2.88 2.90 1dlcA1 ASN 644 HB3 -0.04 -0.01 0.07 -0.04 2.79 2.77 1dlcA1 ASN 644 HD21 -0.04 0.02 -0.02 -0.04 7.03 6.95 1dlcA1 ASN 644 HD22 -0.04 -0.01 0.01 -0.04 7.74 7.66