============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 73 rings ring int. center anis. iso. PHE 5 1.000 61.336 76.979 85.680 -99.200 -91.000 PHE 9 1.000 66.323 70.907 81.668 -99.200 -91.000 TRP 22 1.040 74.635 62.704 54.297 -99.200 -91.000 TRP6 22 1.020 75.769 63.164 52.276 -99.200 -91.000 TYR 38 0.840 55.899 52.878 56.616 -99.200 -91.000 TRP 62 1.040 70.884 64.735 61.354 -99.200 -91.000 TRP6 62 1.020 70.151 65.176 63.563 -99.200 -91.000 TYR 81 0.840 62.074 39.819 55.262 -99.200 -91.000 TYR 83 0.840 70.957 46.157 54.982 -99.200 -91.000 TYR 86 0.840 70.199 50.497 45.415 -99.200 -91.000 TRP 123 1.040 76.925 49.136 81.137 -99.200 -91.000 TRP6 123 1.020 75.775 48.845 79.088 -99.200 -91.000 TYR 130 0.840 69.697 53.719 84.905 -99.200 -91.000 HIS 134 0.900 69.534 56.050 95.123 -99.200 -91.000 TRP 140 1.040 69.580 44.033 96.594 -99.200 -91.000 TRP6 140 1.020 69.490 41.953 97.703 -99.200 -91.000 TRP 151 1.040 61.685 65.973 72.312 -99.200 -91.000 TRP6 151 1.020 60.215 67.818 72.284 -99.200 -91.000 PHE 158 1.000 70.019 68.972 68.103 -99.200 -91.000 TYR 166 0.840 61.942 53.619 89.261 -99.200 -91.000 TRP 177 1.040 66.293 36.315 92.773 -99.200 -91.000 TRP6 177 1.020 67.517 38.249 93.363 -99.200 -91.000 HIS 182 0.900 65.451 35.728 96.637 -99.200 -91.000 TYR 192 0.840 67.904 35.135 74.387 -99.200 -91.000 TRP 197 1.040 60.383 36.859 77.117 -99.200 -91.000 TRP6 197 1.020 59.473 36.201 75.042 -99.200 -91.000 TYR 221 0.840 64.296 29.308 69.275 -99.200 -91.000 HIS 222 0.900 66.171 29.269 73.853 -99.200 -91.000 TRP 238 1.040 55.520 25.471 80.510 -99.200 -91.000 TRP6 238 1.020 54.884 25.055 78.273 -99.200 -91.000 HIS 251 0.900 63.105 32.203 77.210 -99.200 -91.000 TRP 268 1.040 57.460 69.417 96.464 -99.200 -91.000 TRP6 268 1.020 57.816 71.753 96.276 -99.200 -91.000 TRP 281 1.040 76.691 63.776 84.139 -99.200 -91.000 TRP6 281 1.020 78.971 63.815 84.773 -99.200 -91.000 TYR 299 0.840 46.477 79.638 79.113 -99.200 -91.000 PHE 323 1.000 23.000 56.906 95.463 -99.200 -91.000 TYR 324 0.840 20.809 65.894 90.026 -99.200 -91.000 TRP 341 1.040 25.199 41.298 98.283 -99.200 -91.000 TRP6 341 1.020 25.522 43.037 96.715 -99.200 -91.000 PHE 344 1.000 34.343 45.762 102.222 -99.200 -91.000 PHE 353 1.000 20.264 52.448 96.646 -99.200 -91.000 HIS 363 0.900 16.982 40.202 93.895 -99.200 -91.000 HIS 366 0.900 19.821 32.593 90.625 -99.200 -91.000 HIS 368 0.900 31.641 29.432 87.386 -99.200 -91.000 PHE 375 1.000 26.271 33.028 83.845 -99.200 -91.000 TRP 399 1.040 40.289 43.972 77.605 -99.200 -91.000 TRP6 399 1.020 39.737 43.724 75.318 -99.200 -91.000 HIS 429 0.900 41.201 55.886 93.903 -99.200 -91.000 TRP 431 1.040 35.699 49.699 99.349 -99.200 -91.000 TRP6 431 1.020 33.736 50.512 100.378 -99.200 -91.000 TYR 453 0.840 29.977 69.473 80.181 -99.200 -91.000 PHE 461 1.000 35.462 54.689 70.345 -99.200 -91.000 PHE 469 1.000 39.927 49.929 69.219 -99.200 -91.000 PHE 471 1.000 44.270 40.064 67.728 -99.200 -91.000 HIS 484 0.900 28.304 57.117 84.402 -99.200 -91.000 TRP 487 1.040 30.489 48.854 80.233 -99.200 -91.000 TRP6 487 1.020 28.580 47.774 81.114 -99.200 -91.000 TRP 498 1.040 30.035 52.311 61.730 -99.200 -91.000 TRP6 498 1.020 29.162 54.258 62.781 -99.200 -91.000 TRP 506 1.040 19.855 51.758 68.718 -99.200 -91.000 TRP6 506 1.020 18.462 52.926 67.202 -99.200 -91.000 PHE 508 1.000 22.706 61.208 73.456 -99.200 -91.000 PHE 532 1.000 39.228 55.682 67.089 -99.200 -91.000 TYR 546 0.840 34.607 64.035 63.475 -99.200 -91.000 TYR 560 0.840 59.524 69.303 88.478 -99.200 -91.000 TYR 571 0.840 44.592 74.184 77.966 -99.200 -91.000 PHE 579 1.000 44.699 69.326 75.743 -99.200 -91.000 HIS 593 0.900 40.882 69.218 68.451 -99.200 -91.000 HIS 605 0.900 37.747 74.844 81.165 -99.200 -91.000 PHE 608 1.000 40.263 69.264 86.081 -99.200 -91.000 HIS 609 0.900 34.422 70.650 84.282 -99.200 -91.000 TYR 614 0.840 37.501 55.520 87.795 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3dlbB1 LYS 6 HA -0.35 0.04 0.31 -0.75 4.32 3.57 3dlbB1 THR 7 H -0.26 0.74 0.36 -0.55 8.28 8.57 3dlbB1 THR 7 HA -0.10 0.09 0.73 -0.75 4.39 4.35 3dlbB1 THR 7 HB -0.07 0.05 0.02 -0.04 4.32 4.28 3dlbB1 THR 7 HG23 -0.09 -0.02 -0.17 -0.04 1.22 0.90 3dlbB1 GLU 8 H -0.10 0.12 0.20 -0.55 8.60 8.26 3dlbB1 GLU 8 HA -0.15 0.20 0.92 -0.75 4.29 4.51 3dlbB1 GLU 8 HB2 -0.12 0.00 0.03 -0.04 2.09 1.96 3dlbB1 GLU 8 HB3 -0.14 -0.07 0.13 -0.04 1.99 1.87 3dlbB1 GLU 8 HG2 -0.23 -0.02 -0.07 -0.04 2.34 1.99 3dlbB1 GLU 8 HG3 -0.26 0.12 -0.08 -0.04 2.34 2.07 3dlbB1 VAL 9 H -0.15 0.52 0.37 -0.55 8.24 8.43 3dlbB1 VAL 9 HA -0.11 0.10 0.97 -0.75 4.13 4.33 3dlbB1 VAL 9 HB 0.00 0.10 0.02 -0.04 2.12 2.20 3dlbB1 VAL 9 HG13 -0.06 -0.03 -0.34 -0.04 0.97 0.50 3dlbB1 VAL 9 HG23 -0.05 0.08 -0.17 -0.04 0.95 0.78 3dlbB1 PHE 10 H 0.15 0.91 0.32 -0.55 8.34 9.16 3dlbB1 PHE 10 HA 0.00 0.25 1.02 -0.75 4.62 5.13 3dlbB1 PHE 10 HB2 0.16 0.02 0.03 -0.04 3.15 3.31 3dlbB1 PHE 10 HB3 0.12 0.05 -0.09 -0.04 3.06 3.10 3dlbB1 PHE 10 HD2 0.04 0.17 -0.14 -0.04 7.28 7.31 3dlbB1 PHE 10 HE2 0.03 0.03 -0.11 -0.04 7.38 7.29 3dlbB1 PHE 10 HZ 0.03 -0.03 -0.06 -0.04 7.32 7.22 3dlbB1 LEU 11 H 0.13 0.55 0.34 -0.55 8.37 8.84 3dlbB1 LEU 11 HA -0.00 0.38 0.97 -0.75 4.35 4.94 3dlbB1 LEU 11 HB2 -0.00 -0.05 0.09 -0.04 1.64 1.63 3dlbB1 LEU 11 HB3 0.01 0.00 0.05 -0.04 1.64 1.67 3dlbB1 LEU 11 HG 0.02 -0.02 -0.17 -0.04 1.64 1.43 3dlbB1 LEU 11 HD13 0.04 -0.00 -0.10 -0.04 0.93 0.83 3dlbB1 LEU 11 HD23 0.00 0.02 -0.11 -0.04 0.89 0.75 3dlbB1 ASN 12 H -0.04 0.25 0.17 -0.55 8.53 8.37 3dlbB1 ASN 12 HA -0.05 0.13 0.49 -0.75 4.76 4.58 3dlbB1 ASN 12 HB2 0.15 0.26 0.27 -0.04 2.88 3.53 3dlbB1 ASN 12 HB3 0.04 -0.04 0.08 -0.04 2.79 2.83 3dlbB1 ASN 12 HD21 0.08 -0.08 -0.11 -0.04 7.03 6.87 3dlbB1 ASN 12 HD22 0.11 0.47 -0.03 -0.04 7.74 8.25 3dlbB1 ARG 13 H -0.29 0.55 -0.50 -0.55 8.46 7.67 3dlbB1 ARG 13 HA -0.01 0.36 0.97 -0.75 4.34 4.91 3dlbB1 ARG 13 HB2 -0.10 -0.06 -0.07 -0.04 1.90 1.63 3dlbB1 ARG 13 HB3 -0.09 -0.05 -0.04 -0.04 1.80 1.58 3dlbB1 ARG 13 HG2 0.18 0.08 -0.24 -0.04 1.67 1.65 3dlbB1 ARG 13 HG3 0.05 -0.12 -0.29 -0.04 1.67 1.26 3dlbB1 ARG 13 HD2 0.11 -0.03 -0.10 -0.04 3.22 3.16 3dlbB1 ARG 13 HD3 0.18 -0.01 -0.14 -0.04 3.22 3.21 3dlbB1 PHE 14 H -0.00 0.25 0.16 -0.55 8.34 8.19 3dlbB1 PHE 14 HA -0.01 0.23 0.65 -0.75 4.62 4.74 3dlbB1 PHE 14 HB2 -0.03 -0.03 0.02 -0.04 3.15 3.07 3dlbB1 PHE 14 HB3 -0.02 -0.11 -0.08 -0.04 3.06 2.80 3dlbB1 PHE 14 HD2 -0.01 -0.00 -0.34 -0.04 7.28 6.88 3dlbB1 PHE 14 HE2 -0.02 -0.02 -0.15 -0.04 7.38 7.15 3dlbB1 PHE 14 HZ -0.00 -0.05 -0.22 -0.04 7.32 7.00 3dlbB1 ALA 15 H 0.03 0.47 0.22 -0.55 8.40 8.57 3dlbB1 ALA 15 HA -0.04 0.11 0.62 -0.75 4.34 4.27 3dlbB1 ALA 15 HB3 -0.00 0.00 0.13 -0.04 1.41 1.50 3dlbB1 LEU 16 H 0.03 0.42 0.17 -0.55 8.37 8.44 3dlbB1 LEU 16 HA 0.01 0.18 0.63 -0.75 4.35 4.42 3dlbB1 LEU 16 HB2 0.11 -0.12 -0.00 -0.04 1.64 1.58 3dlbB1 LEU 16 HB3 -0.04 0.42 0.26 -0.04 1.64 2.25 3dlbB1 LEU 16 HG 0.03 -0.04 -0.26 -0.04 1.64 1.32 3dlbB1 LEU 16 HD13 -0.08 -0.02 -0.08 -0.04 0.93 0.71 3dlbB1 LEU 16 HD23 -0.02 0.07 -0.30 -0.04 0.89 0.60 3dlbB1 ARG 17 H -0.01 0.44 0.06 -0.55 8.46 8.40 3dlbB1 ARG 17 HA 0.03 0.04 0.32 -0.75 4.34 3.97 3dlbB1 ARG 17 HB2 -0.00 0.00 0.09 -0.04 1.90 1.95 3dlbB1 ARG 17 HB3 -0.03 -0.09 -0.10 -0.04 1.80 1.54 3dlbB1 ARG 17 HG2 -0.10 -0.06 -0.10 -0.04 1.67 1.38 3dlbB1 ARG 17 HG3 0.09 0.25 -0.44 -0.04 1.67 1.53 3dlbB1 ARG 17 HD2 -0.03 -0.03 -0.01 -0.04 3.22 3.10 3dlbB1 ARG 17 HD3 -0.10 -0.04 -0.03 -0.04 3.22 3.01 3dlbB1 PRO 18 HA 0.05 0.00 0.61 -0.51 4.44 4.59 3dlbB1 PRO 18 HB2 0.02 0.03 -0.05 -0.04 2.28 2.24 3dlbB1 PRO 18 HB3 0.02 0.06 0.01 -0.04 2.02 2.07 3dlbB1 PRO 18 HG2 0.01 0.01 0.03 -0.04 2.03 2.04 3dlbB1 PRO 18 HG3 0.02 0.04 -0.01 -0.04 2.03 2.04 3dlbB1 PRO 18 HD2 0.02 0.07 0.18 -0.04 3.68 3.91 3dlbB1 PRO 18 HD3 0.02 0.11 0.18 -0.04 3.65 3.92 3dlbB1 LEU 19 H 0.01 0.63 0.37 -0.55 8.37 8.83 3dlbB1 LEU 19 HA 0.17 0.03 0.55 -0.75 4.35 4.35 3dlbB1 LEU 19 HB2 -0.01 0.12 0.15 -0.04 1.64 1.86 3dlbB1 LEU 19 HB3 0.01 -0.00 -0.07 -0.04 1.64 1.54 3dlbB1 LEU 19 HG -0.16 -0.02 -0.05 -0.04 1.64 1.37 3dlbB1 LEU 19 HD13 -0.50 0.03 -0.26 -0.04 0.93 0.16 3dlbB1 LEU 19 HD23 0.09 0.01 -0.15 -0.04 0.89 0.79 3dlbB1 ASN 20 H -0.02 0.07 0.17 -0.55 8.53 8.20 3dlbB1 ASN 20 HA -0.02 0.20 0.52 -0.75 4.76 4.70 3dlbB1 ASN 20 HB2 -0.05 0.01 0.19 -0.04 2.88 2.99 3dlbB1 ASN 20 HB3 -0.05 0.10 0.13 -0.04 2.79 2.93 3dlbB1 ASN 20 HD21 -0.16 0.06 0.05 -0.04 7.03 6.94 3dlbB1 ASN 20 HD22 -0.09 0.09 0.08 -0.04 7.74 7.78 3dlbB1 PRO 21 HA -0.02 0.14 0.42 -0.51 4.44 4.47 3dlbB1 PRO 21 HB2 -0.03 0.05 -0.01 -0.04 2.28 2.25 3dlbB1 PRO 21 HB3 -0.02 0.05 0.11 -0.04 2.02 2.11 3dlbB1 PRO 21 HG2 -0.04 -0.01 0.07 -0.04 2.03 2.02 3dlbB1 PRO 21 HG3 -0.03 0.06 0.08 -0.04 2.03 2.10 3dlbB1 PRO 21 HD2 -0.03 0.07 0.24 -0.04 3.68 3.92 3dlbB1 PRO 21 HD3 -0.02 0.19 0.19 -0.04 3.65 3.96 3dlbB1 GLU 22 H -0.06 0.06 -0.25 -0.55 8.60 7.80 3dlbB1 GLU 22 HA -0.09 0.16 0.48 -0.75 4.29 4.09 3dlbB1 GLU 22 HB2 -0.08 -0.07 0.08 -0.04 2.09 1.97 3dlbB1 GLU 22 HB3 -0.07 0.10 -0.05 -0.04 1.99 1.93 3dlbB1 GLU 22 HG2 -0.02 0.03 0.01 -0.04 2.34 2.31 3dlbB1 GLU 22 HG3 -0.06 0.05 0.01 -0.04 2.34 2.30 3dlbB1 GLU 23 H -0.13 0.02 -0.19 -0.55 8.60 7.76 3dlbB1 GLU 23 HA -0.24 0.12 0.35 -0.75 4.29 3.76 3dlbB1 GLU 23 HB2 -0.14 0.04 0.04 -0.04 2.09 2.00 3dlbB1 GLU 23 HB3 -0.48 0.03 0.04 -0.04 1.99 1.54 3dlbB1 GLU 23 HG2 -0.96 0.08 0.02 -0.04 2.34 1.44 3dlbB1 GLU 23 HG3 -0.32 -0.12 0.06 -0.04 2.34 1.91 3dlbB1 LEU 24 H 0.02 0.22 -0.54 -0.55 8.37 7.53 3dlbB1 LEU 24 HA 0.13 0.08 0.61 -0.75 4.35 4.41 3dlbB1 LEU 24 HB2 0.01 0.04 0.01 -0.04 1.64 1.66 3dlbB1 LEU 24 HB3 0.03 -0.02 0.17 -0.04 1.64 1.78 3dlbB1 LEU 24 HG 0.03 0.06 -0.17 -0.04 1.64 1.52 3dlbB1 LEU 24 HD13 0.00 -0.02 -0.07 -0.04 0.93 0.80 3dlbB1 LEU 24 HD23 0.03 0.00 0.04 -0.04 0.89 0.93 3dlbB1 ARG 25 H 0.05 0.33 -0.69 -0.55 8.46 7.60 3dlbB1 ARG 25 HA -0.02 0.19 0.75 -0.75 4.34 4.51 3dlbB1 ARG 25 HB2 -0.05 0.08 -0.07 -0.04 1.90 1.81 3dlbB1 ARG 25 HB3 -0.13 -0.05 0.21 -0.04 1.80 1.78 3dlbB1 ARG 25 HG2 -0.14 -0.08 -0.14 -0.04 1.67 1.26 3dlbB1 ARG 25 HG3 -0.06 -0.01 -0.25 -0.04 1.67 1.30 3dlbB1 ARG 25 HD2 -0.06 0.02 -0.05 -0.04 3.22 3.08 3dlbB1 ARG 25 HD3 -0.11 -0.06 -0.04 -0.04 3.22 2.97 3dlbB1 PRO 26 HA 0.17 0.08 0.40 -0.51 4.44 4.58 3dlbB1 PRO 26 HB2 0.09 -0.02 -0.08 -0.04 2.28 2.23 3dlbB1 PRO 26 HB3 0.24 -0.00 -0.05 -0.04 2.02 2.16 3dlbB1 PRO 26 HG2 0.02 0.02 -0.11 -0.04 2.03 1.92 3dlbB1 PRO 26 HG3 -0.00 -0.06 -0.11 -0.04 2.03 1.82 3dlbB1 PRO 26 HD2 0.05 0.24 -0.11 -0.04 3.68 3.82 3dlbB1 PRO 26 HD3 0.21 0.21 -0.25 -0.04 3.65 3.79 3dlbB1 TRP 27 H 0.39 0.72 0.33 -0.55 7.97 8.86 3dlbB1 TRP 27 HA 0.05 0.01 0.52 -0.75 4.62 4.45 3dlbB1 TRP 27 HB2 0.06 0.00 0.05 -0.04 3.23 3.30 3dlbB1 TRP 27 HB3 0.05 -0.05 0.02 -0.04 3.23 3.21 3dlbB1 TRP 27 HD1 0.12 0.24 -0.20 -0.04 7.22 7.34 3dlbB1 TRP 27 HE1 0.06 0.00 -0.18 -0.04 10.20 10.04 3dlbB1 TRP 27 HE3 0.04 -0.07 0.07 -0.04 7.59 7.59 3dlbB1 TRP 27 HZ2 0.03 -0.00 0.02 -0.04 7.44 7.44 3dlbB1 TRP 27 HZ3 0.03 -0.04 0.08 -0.04 7.13 7.16 3dlbB1 TRP 27 HH2 0.02 -0.01 0.04 -0.04 7.19 7.20 3dlbB1 ARG 28 H 0.23 0.18 0.03 -0.55 8.46 8.34 3dlbB1 ARG 28 HA 0.10 0.38 0.99 -0.75 4.34 5.05 3dlbB1 ARG 28 HB2 0.05 0.03 -0.07 -0.04 1.90 1.87 3dlbB1 ARG 28 HB3 0.08 0.04 -0.03 -0.04 1.80 1.86 3dlbB1 ARG 28 HG2 0.06 -0.07 -0.15 -0.04 1.67 1.47 3dlbB1 ARG 28 HG3 0.04 0.17 0.12 -0.04 1.67 1.95 3dlbB1 ARG 28 HD2 0.02 -0.08 -0.06 -0.04 3.22 3.05 3dlbB1 ARG 28 HD3 0.02 0.00 -0.06 -0.04 3.22 3.14 3dlbB1 LEU 29 H 0.07 0.47 0.23 -0.55 8.37 8.60 3dlbB1 LEU 29 HA 0.11 0.21 0.72 -0.75 4.35 4.64 3dlbB1 LEU 29 HB2 0.07 -0.05 -0.15 -0.04 1.64 1.48 3dlbB1 LEU 29 HB3 0.10 0.03 -0.10 -0.04 1.64 1.62 3dlbB1 LEU 29 HG 0.10 0.04 -0.12 -0.04 1.64 1.62 3dlbB1 LEU 29 HD13 0.11 -0.07 -0.69 -0.04 0.93 0.24 3dlbB1 LEU 29 HD23 0.03 -0.00 -0.19 -0.04 0.89 0.68 3dlbB1 GLU 30 H 0.14 0.62 0.30 -0.55 8.60 9.12 3dlbB1 GLU 30 HA 0.06 0.10 0.86 -0.75 4.29 4.55 3dlbB1 GLU 30 HB2 0.05 0.02 0.10 -0.04 2.09 2.22 3dlbB1 GLU 30 HB3 -0.00 0.02 0.11 -0.04 1.99 2.08 3dlbB1 GLU 30 HG2 0.03 -0.02 -0.04 -0.04 2.34 2.27 3dlbB1 GLU 30 HG3 0.06 0.05 -0.05 -0.04 2.34 2.36 3dlbB1 VAL 31 H 0.06 0.23 0.25 -0.55 8.24 8.22 3dlbB1 VAL 31 HA 0.20 0.39 1.12 -0.75 4.13 5.09 3dlbB1 VAL 31 HB 0.06 0.04 0.01 -0.04 2.12 2.19 3dlbB1 VAL 31 HG13 0.12 -0.01 -0.22 -0.04 0.97 0.82 3dlbB1 VAL 31 HG23 0.06 -0.00 -0.33 -0.04 0.95 0.63 3dlbB1 VAL 32 H 0.21 0.49 0.30 -0.55 8.24 8.68 3dlbB1 VAL 32 HA 0.06 0.11 0.87 -0.75 4.13 4.42 3dlbB1 VAL 32 HB 0.21 0.01 0.08 -0.04 2.12 2.38 3dlbB1 VAL 32 HG13 0.07 0.00 -0.09 -0.04 0.97 0.91 3dlbB1 VAL 32 HG23 -0.05 -0.01 -0.17 -0.04 0.95 0.67 3dlbB1 LEU 33 H 0.08 0.14 0.14 -0.55 8.37 8.18 3dlbB1 LEU 33 HA 0.15 0.39 0.98 -0.75 4.35 5.12 3dlbB1 LEU 33 HB2 0.05 -0.07 0.00 -0.04 1.64 1.59 3dlbB1 LEU 33 HB3 0.10 0.08 -0.06 -0.04 1.64 1.71 3dlbB1 LEU 33 HG 0.07 -0.07 -0.36 -0.04 1.64 1.24 3dlbB1 LEU 33 HD13 -0.06 -0.01 -0.12 -0.04 0.93 0.70 3dlbB1 LEU 33 HD23 0.07 0.04 -0.17 -0.04 0.89 0.78 3dlbB1 ASP 34 H 0.19 0.39 0.19 -0.55 8.40 8.62 3dlbB1 ASP 34 HA 0.11 -0.01 0.57 -0.75 4.63 4.54 3dlbB1 ASP 34 HB2 0.08 0.05 -0.23 -0.04 2.71 2.56 3dlbB1 ASP 34 HB3 0.07 -0.04 0.13 -0.04 2.70 2.82 3dlbB1 PRO 35 HA 0.08 0.07 0.37 -0.51 4.44 4.45 3dlbB1 PRO 35 HB2 0.07 0.08 -0.10 -0.04 2.28 2.30 3dlbB1 PRO 35 HB3 0.04 0.01 0.11 -0.04 2.02 2.13 3dlbB1 PRO 35 HG2 -0.07 0.02 0.09 -0.04 2.03 2.02 3dlbB1 PRO 35 HG3 -0.02 -0.00 0.06 -0.04 2.03 2.03 3dlbB1 PRO 35 HD2 -0.24 0.06 0.30 -0.04 3.68 3.76 3dlbB1 PRO 35 HD3 -0.09 0.22 0.44 -0.04 3.65 4.18 3dlbB1 PRO 36 HA 0.08 0.10 0.39 -0.51 4.44 4.50 3dlbB1 PRO 36 HB2 0.05 -0.02 0.04 -0.04 2.28 2.30 3dlbB1 PRO 36 HB3 0.04 0.03 0.09 -0.04 2.02 2.14 3dlbB1 PRO 36 HG2 0.04 0.00 0.10 -0.04 2.03 2.12 3dlbB1 PRO 36 HG3 0.05 0.11 0.11 -0.04 2.03 2.25 3dlbB1 PRO 36 HD2 0.06 0.08 0.19 -0.04 3.68 3.96 3dlbB1 PRO 36 HD3 0.06 0.07 0.23 -0.04 3.65 3.97 3dlbB1 PRO 37 HA 0.14 0.16 0.64 -0.51 4.44 4.87 3dlbB1 PRO 37 HB2 -0.04 -0.06 0.02 -0.04 2.28 2.16 3dlbB1 PRO 37 HB3 -0.11 0.10 -0.03 -0.04 2.02 1.94 3dlbB1 PRO 37 HG2 -0.04 -0.03 -0.16 -0.04 2.03 1.76 3dlbB1 PRO 37 HG3 -0.17 0.05 -0.09 -0.04 2.03 1.78 3dlbB1 PRO 37 HD2 0.01 0.04 0.15 -0.04 3.68 3.84 3dlbB1 PRO 37 HD3 0.01 0.28 0.11 -0.04 3.65 4.01 3dlbB1 GLY 38 H 0.04 0.12 0.12 -0.55 8.43 8.16 3dlbB1 GLY 38 HA2 0.01 0.13 0.51 -0.51 4.01 4.15 3dlbB1 GLY 38 HA3 0.01 0.02 0.35 -0.51 4.01 3.88 3dlbB1 ARG 39 H -0.02 0.19 0.19 -0.55 8.46 8.26 3dlbB1 ARG 39 HA -0.05 0.14 0.32 -0.75 4.34 4.00 3dlbB1 ARG 39 HB2 -0.03 0.06 0.16 -0.04 1.90 2.04 3dlbB1 ARG 39 HB3 -0.05 -0.02 0.06 -0.04 1.80 1.74 3dlbB1 ARG 39 HG2 -0.11 -0.01 -0.03 -0.04 1.67 1.48 3dlbB1 ARG 39 HG3 -0.09 0.00 0.14 -0.04 1.67 1.69 3dlbB1 ARG 39 HD2 -0.04 0.02 0.03 -0.04 3.22 3.20 3dlbB1 ARG 39 HD3 -0.03 0.02 0.05 -0.04 3.22 3.22 3dlbB1 GLU 40 H -0.04 0.03 -0.44 -0.55 8.60 7.59 3dlbB1 GLU 40 HA -0.11 0.13 0.50 -0.75 4.29 4.06 3dlbB1 GLU 40 HB2 -0.04 -0.06 0.05 -0.04 2.09 2.00 3dlbB1 GLU 40 HB3 -0.03 0.06 -0.04 -0.04 1.99 1.94 3dlbB1 GLU 40 HG2 -0.04 0.01 0.03 -0.04 2.34 2.30 3dlbB1 GLU 40 HG3 -0.06 0.03 0.08 -0.04 2.34 2.35 3dlbB1 GLU 41 H -0.04 0.60 -0.28 -0.55 8.60 8.33 3dlbB1 GLU 41 HA -0.02 0.18 0.78 -0.75 4.29 4.48 3dlbB1 GLU 41 HB2 -0.03 0.09 0.07 -0.04 2.09 2.17 3dlbB1 GLU 41 HB3 -0.05 0.01 0.02 -0.04 1.99 1.93 3dlbB1 GLU 41 HG2 0.00 0.05 -0.07 -0.04 2.34 2.28 3dlbB1 GLU 41 HG3 0.00 -0.11 -0.06 -0.04 2.34 2.13 3dlbB1 VAL 42 H -0.06 0.22 -0.19 -0.55 8.24 7.66 3dlbB1 VAL 42 HA -0.04 0.04 0.28 -0.75 4.13 3.66 3dlbB1 VAL 42 HB -0.04 0.04 0.11 -0.04 2.12 2.19 3dlbB1 VAL 42 HG13 0.12 0.00 -0.13 -0.04 0.97 0.92 3dlbB1 VAL 42 HG23 -0.03 0.00 0.01 -0.04 0.95 0.89 3dlbB1 TYR 43 H 0.05 0.15 -0.19 -0.55 8.29 7.76 3dlbB1 TYR 43 HA -0.04 0.06 0.39 -0.75 4.56 4.22 3dlbB1 TYR 43 HB2 -0.03 0.04 0.05 -0.04 3.06 3.09 3dlbB1 TYR 43 HB3 -0.03 0.01 -0.06 -0.04 2.98 2.86 3dlbB1 TYR 43 HD2 -0.03 -0.05 -0.08 -0.04 7.15 6.95 3dlbB1 TYR 43 HE2 -0.02 -0.03 -0.06 -0.04 6.85 6.70 3dlbB1 PRO 44 HA 0.02 0.06 0.48 -0.51 4.44 4.49 3dlbB1 PRO 44 HB2 -0.00 0.06 0.03 -0.04 2.28 2.33 3dlbB1 PRO 44 HB3 0.01 0.00 0.09 -0.04 2.02 2.08 3dlbB1 PRO 44 HG2 0.01 0.05 0.09 -0.04 2.03 2.14 3dlbB1 PRO 44 HG3 0.03 0.01 0.05 -0.04 2.03 2.08 3dlbB1 PRO 44 HD2 0.02 0.26 -0.26 -0.04 3.68 3.66 3dlbB1 PRO 44 HD3 0.08 0.02 -0.00 -0.04 3.65 3.70 3dlbB1 LEU 45 H -0.02 0.47 -0.34 -0.55 8.37 7.94 3dlbB1 LEU 45 HA -0.07 0.02 0.41 -0.75 4.35 3.95 3dlbB1 LEU 45 HB2 -0.11 0.20 0.08 -0.04 1.64 1.77 3dlbB1 LEU 45 HB3 -0.13 0.01 -0.08 -0.04 1.64 1.40 3dlbB1 LEU 45 HG -0.35 -0.00 -0.11 -0.04 1.64 1.14 3dlbB1 LEU 45 HD13 -0.11 -0.01 -0.10 -0.04 0.93 0.67 3dlbB1 LEU 45 HD23 -0.53 0.00 -0.14 -0.04 0.89 0.19 3dlbB1 LEU 46 H -0.01 0.57 0.02 -0.55 8.37 8.41 3dlbB1 LEU 46 HA -0.06 0.02 0.30 -0.75 4.35 3.85 3dlbB1 LEU 46 HB2 -0.06 0.04 0.05 -0.04 1.64 1.63 3dlbB1 LEU 46 HB3 -0.06 0.04 -0.11 -0.04 1.64 1.48 3dlbB1 LEU 46 HG 0.03 0.13 -0.02 -0.04 1.64 1.74 3dlbB1 LEU 46 HD13 -0.00 0.00 -0.14 -0.04 0.93 0.75 3dlbB1 LEU 46 HD23 0.00 -0.00 -0.14 -0.04 0.89 0.71 3dlbB1 ALA 47 H -0.04 0.45 -0.33 -0.55 8.40 7.93 3dlbB1 ALA 47 HA -0.06 -0.03 0.38 -0.75 4.34 3.87 3dlbB1 ALA 47 HB3 -0.04 0.07 0.11 -0.04 1.41 1.51 3dlbB1 GLN 48 H -0.05 0.32 -0.32 -0.55 8.47 7.87 3dlbB1 GLN 48 HA -0.04 0.02 0.48 -0.75 4.36 4.06 3dlbB1 GLN 48 HB2 -0.03 0.03 0.15 -0.04 2.15 2.25 3dlbB1 GLN 48 HB3 -0.06 0.10 0.08 -0.04 2.02 2.10 3dlbB1 GLN 48 HG2 -0.03 -0.02 -0.02 -0.04 2.40 2.30 3dlbB1 GLN 48 HG3 -0.01 -0.02 0.07 -0.04 2.39 2.39 3dlbB1 GLN 48 HE21 0.06 0.43 -0.10 -0.04 6.97 7.32 3dlbB1 GLN 48 HE22 0.03 -0.06 0.03 -0.04 7.69 7.65 3dlbB1 VAL 49 H -0.11 0.50 -0.13 -0.55 8.24 7.95 3dlbB1 VAL 49 HA -0.40 -0.02 0.28 -0.75 4.13 3.24 3dlbB1 VAL 49 HB -0.13 0.11 0.06 -0.04 2.12 2.13 3dlbB1 VAL 49 HG13 -0.33 -0.02 -0.22 -0.04 0.97 0.36 3dlbB1 VAL 49 HG23 -0.16 0.04 -0.17 -0.04 0.95 0.62 3dlbB1 ALA 50 H -0.10 0.47 -0.46 -0.55 8.40 7.76 3dlbB1 ALA 50 HA -0.07 -0.05 0.20 -0.75 4.34 3.67 3dlbB1 ALA 50 HB3 -0.06 0.07 -0.05 -0.04 1.41 1.33 3dlbB1 ARG 51 H -0.07 0.26 -0.23 -0.55 8.46 7.87 3dlbB1 ARG 51 HA -0.02 0.06 0.50 -0.75 4.34 4.13 3dlbB1 ARG 51 HB2 -0.03 0.08 0.18 -0.04 1.90 2.10 3dlbB1 ARG 51 HB3 -0.01 -0.05 0.04 -0.04 1.80 1.74 3dlbB1 ARG 51 HG2 -0.03 0.09 0.10 -0.04 1.67 1.79 3dlbB1 ARG 51 HG3 -0.01 -0.10 0.06 -0.04 1.67 1.58 3dlbB1 ARG 51 HD2 0.01 -0.04 0.05 -0.04 3.22 3.20 3dlbB1 ARG 51 HD3 -0.00 0.09 0.06 -0.04 3.22 3.33 3dlbB1 ARG 52 H -0.12 0.35 -0.10 -0.55 8.46 8.04 3dlbB1 ARG 52 HA -0.00 -0.06 0.41 -0.75 4.34 3.94 3dlbB1 ARG 52 HB2 -0.50 0.06 0.02 -0.04 1.90 1.44 3dlbB1 ARG 52 HB3 -0.02 -0.07 -0.05 -0.04 1.80 1.62 3dlbB1 ARG 52 HG2 -0.15 0.34 -0.01 -0.04 1.67 1.80 3dlbB1 ARG 52 HG3 -0.18 -0.12 -0.16 -0.04 1.67 1.17 3dlbB1 ARG 52 HD2 0.00 0.04 0.01 -0.04 3.22 3.22 3dlbB1 ARG 52 HD3 -0.00 -0.10 0.02 -0.04 3.22 3.10 3dlbB1 ALA 53 H -0.11 0.38 -0.32 -0.55 8.40 7.80 3dlbB1 ALA 53 HA 0.08 0.03 0.45 -0.75 4.34 4.15 3dlbB1 ALA 53 HB3 -0.00 -0.04 -0.02 -0.04 1.41 1.31 3dlbB1 GLY 54 H 0.02 -0.19 0.16 -0.55 8.43 7.87 3dlbB1 GLY 54 HA2 0.02 0.11 0.35 -0.51 4.01 3.97 3dlbB1 GLY 54 HA3 0.01 -0.05 0.29 -0.51 4.01 3.75 3dlbB1 GLY 55 H 0.02 0.10 0.09 -0.55 8.43 8.10 3dlbB1 GLY 55 HA2 0.03 0.29 0.92 -0.51 4.01 4.74 3dlbB1 GLY 55 HA3 0.03 0.02 0.27 -0.51 4.01 3.81 3dlbB1 VAL 56 H 0.05 0.22 0.13 -0.55 8.24 8.09 3dlbB1 VAL 56 HA 0.10 0.03 0.25 -0.75 4.13 3.75 3dlbB1 VAL 56 HB 0.17 0.17 0.34 -0.04 2.12 2.76 3dlbB1 VAL 56 HG13 0.41 -0.03 0.09 -0.04 0.97 1.39 3dlbB1 VAL 56 HG23 0.12 -0.01 -0.20 -0.04 0.95 0.83 3dlbB1 THR 57 H 0.02 0.27 -0.02 -0.55 8.28 8.00 3dlbB1 THR 57 HA 0.01 0.11 0.88 -0.75 4.39 4.64 3dlbB1 THR 57 HB 0.03 -0.07 -0.16 -0.04 4.32 4.08 3dlbB1 THR 57 HG23 0.02 0.04 -0.72 -0.04 1.22 0.52 3dlbB1 VAL 58 H -0.05 0.87 0.34 -0.55 8.24 8.84 3dlbB1 VAL 58 HA -0.06 0.18 0.81 -0.75 4.13 4.30 3dlbB1 VAL 58 HB -0.13 -0.05 -0.39 -0.04 2.12 1.51 3dlbB1 VAL 58 HG13 -0.14 0.06 -0.27 -0.04 0.97 0.58 3dlbB1 VAL 58 HG23 -0.09 -0.04 0.00 -0.04 0.95 0.79 3dlbB1 ARG 59 H -0.09 0.12 0.11 -0.55 8.46 8.05 3dlbB1 ARG 59 HA -0.08 0.20 0.52 -0.75 4.34 4.23 3dlbB1 ARG 59 HB2 -0.10 -0.02 -0.05 -0.04 1.90 1.69 3dlbB1 ARG 59 HB3 -0.14 -0.05 0.05 -0.04 1.80 1.62 3dlbB1 ARG 59 HG2 -0.20 0.10 -0.23 -0.04 1.67 1.31 3dlbB1 ARG 59 HG3 -0.13 -0.03 -0.12 -0.04 1.67 1.34 3dlbB1 ARG 59 HD2 -0.28 -0.05 0.01 -0.04 3.22 2.86 3dlbB1 ARG 59 HD3 -0.21 -0.04 -0.05 -0.04 3.22 2.88 3dlbB1 MET 60 H -0.09 0.65 -0.13 -0.55 8.47 8.36 3dlbB1 MET 60 HA -0.11 0.09 0.67 -0.75 4.52 4.41 3dlbB1 MET 60 HB2 -0.07 0.06 -0.34 -0.04 2.15 1.76 3dlbB1 MET 60 HB3 -0.04 0.01 -0.39 -0.04 2.03 1.57 3dlbB1 MET 60 HG2 -0.04 -0.07 -0.36 -0.04 2.63 2.12 3dlbB1 MET 60 HG3 -0.06 -0.05 -0.10 -0.04 2.56 2.31 3dlbB1 MET 60 HE3 0.00 0.04 -0.09 -0.04 2.10 2.01 3dlbB1 GLY 61 H -0.13 0.14 0.02 -0.55 8.43 7.91 3dlbB1 GLY 61 HA2 -0.08 0.02 0.30 -0.51 4.01 3.74 3dlbB1 GLY 61 HA3 -0.04 0.03 0.42 -0.51 4.01 3.91 3dlbB1 ASP 62 H -0.00 0.12 0.16 -0.55 8.40 8.14 3dlbB1 ASP 62 HA -0.03 0.22 0.91 -0.75 4.63 4.97 3dlbB1 ASP 62 HB2 0.09 0.02 0.21 -0.04 2.71 2.98 3dlbB1 ASP 62 HB3 0.22 -0.04 0.02 -0.04 2.70 2.86 3dlbB1 GLY 63 H -0.04 0.67 -0.17 -0.55 8.43 8.34 3dlbB1 GLY 63 HA2 0.02 0.08 0.85 -0.51 4.01 4.44 3dlbB1 GLY 63 HA3 0.01 0.02 0.47 -0.51 4.01 4.00 3dlbB1 LEU 64 H 0.02 0.50 0.38 -0.55 8.37 8.73 3dlbB1 LEU 64 HA -0.03 0.11 1.01 -0.75 4.35 4.68 3dlbB1 LEU 64 HB2 0.03 -0.10 -0.11 -0.04 1.64 1.42 3dlbB1 LEU 64 HB3 0.00 0.07 -0.05 -0.04 1.64 1.62 3dlbB1 LEU 64 HG 0.01 -0.06 -0.45 -0.04 1.64 1.09 3dlbB1 LEU 64 HD13 0.00 0.00 -0.29 -0.04 0.93 0.60 3dlbB1 LEU 64 HD23 -0.05 0.04 -0.30 -0.04 0.89 0.54 3dlbB1 ALA 65 H -0.03 0.87 0.29 -0.55 8.40 8.98 3dlbB1 ALA 65 HA 0.05 0.40 0.90 -0.75 4.34 4.93 3dlbB1 ALA 65 HB3 -0.07 -0.02 -0.14 -0.04 1.41 1.14 3dlbB1 SER 66 H 0.18 0.79 0.24 -0.55 8.46 9.13 3dlbB1 SER 66 HA 0.07 0.18 1.11 -0.75 4.49 5.10 3dlbB1 SER 66 HB2 0.09 -0.05 -0.28 -0.04 3.95 3.67 3dlbB1 SER 66 HB3 0.19 -0.01 -0.06 -0.04 3.93 4.01 3dlbB1 TRP 67 H 0.29 0.68 0.33 -0.55 7.97 8.73 3dlbB1 TRP 67 HA 0.18 0.09 0.73 -0.75 4.62 4.87 3dlbB1 TRP 67 HB2 0.09 0.11 0.16 -0.04 3.23 3.55 3dlbB1 TRP 67 HB3 0.10 -0.02 0.03 -0.04 3.23 3.30 3dlbB1 TRP 67 HD1 0.08 0.03 -0.02 -0.04 7.22 7.27 3dlbB1 TRP 67 HE1 0.02 0.60 0.18 -0.04 10.20 10.96 3dlbB1 TRP 67 HE3 0.11 0.03 -0.09 -0.04 7.59 7.59 3dlbB1 TRP 67 HZ2 -0.03 0.04 -0.04 -0.04 7.44 7.37 3dlbB1 TRP 67 HZ3 0.26 0.02 -0.18 -0.04 7.13 7.20 3dlbB1 TRP 67 HH2 -0.04 -0.01 -0.07 -0.04 7.19 7.02 3dlbB1 SER 68 H 0.25 0.15 0.01 -0.55 8.46 8.32 3dlbB1 SER 68 HA 0.16 0.18 0.87 -0.75 4.49 4.95 3dlbB1 SER 68 HB2 0.04 -0.03 0.04 -0.04 3.95 3.96 3dlbB1 SER 68 HB3 0.11 -0.01 0.05 -0.04 3.93 4.04 3dlbB1 PRO 69 HA -0.46 0.09 0.38 -0.51 4.44 3.94 3dlbB1 PRO 69 HB2 -0.10 -0.03 -0.01 -0.04 2.28 2.11 3dlbB1 PRO 69 HB3 -0.11 -0.00 0.08 -0.04 2.02 1.94 3dlbB1 PRO 69 HG2 0.02 0.04 0.07 -0.04 2.03 2.11 3dlbB1 PRO 69 HG3 0.09 0.06 0.09 -0.04 2.03 2.23 3dlbB1 PRO 69 HD2 0.01 0.10 0.16 -0.04 3.68 3.91 3dlbB1 PRO 69 HD3 0.09 0.22 0.25 -0.04 3.65 4.18 3dlbB1 PRO 70 HA -0.37 0.12 0.44 -0.51 4.44 4.11 3dlbB1 PRO 70 HB2 -0.40 -0.00 0.09 -0.04 2.28 1.93 3dlbB1 PRO 70 HB3 -0.36 0.04 0.10 -0.04 2.02 1.75 3dlbB1 PRO 70 HG2 -1.47 0.02 0.11 -0.04 2.03 0.65 3dlbB1 PRO 70 HG3 -1.66 0.07 0.10 -0.04 2.03 0.49 3dlbB1 PRO 70 HD2 -0.78 0.07 0.21 -0.04 3.68 3.14 3dlbB1 PRO 70 HD3 -2.01 0.18 0.19 -0.04 3.65 1.97 3dlbB1 GLU 71 H -0.23 0.09 -0.19 -0.55 8.60 7.73 3dlbB1 GLU 71 HA -0.10 0.13 0.41 -0.75 4.29 3.97 3dlbB1 GLU 71 HB2 -0.09 0.01 -0.00 -0.04 2.09 1.97 3dlbB1 GLU 71 HB3 -0.07 0.03 0.15 -0.04 1.99 2.07 3dlbB1 GLU 71 HG2 -0.07 0.01 0.03 -0.04 2.34 2.27 3dlbB1 GLU 71 HG3 -0.10 0.02 0.01 -0.04 2.34 2.23 3dlbB1 VAL 72 H -0.12 0.31 -0.71 -0.55 8.24 7.18 3dlbB1 VAL 72 HA -0.04 0.18 0.89 -0.75 4.13 4.41 3dlbB1 VAL 72 HB -0.05 0.19 -0.04 -0.04 2.12 2.17 3dlbB1 VAL 72 HG13 -0.01 -0.02 0.00 -0.04 0.97 0.90 3dlbB1 VAL 72 HG23 -0.04 -0.04 -0.13 -0.04 0.95 0.70 3dlbB1 LEU 73 H -0.07 0.28 0.02 -0.55 8.37 8.05 3dlbB1 LEU 73 HA -0.00 0.06 0.72 -0.75 4.35 4.37 3dlbB1 LEU 73 HB2 -0.03 0.06 0.01 -0.04 1.64 1.64 3dlbB1 LEU 73 HB3 0.01 -0.06 -0.01 -0.04 1.64 1.53 3dlbB1 LEU 73 HG -0.09 0.10 -0.03 -0.04 1.64 1.59 3dlbB1 LEU 73 HD13 -0.01 0.00 -0.16 -0.04 0.93 0.72 3dlbB1 LEU 73 HD23 -0.00 0.02 -0.23 -0.04 0.89 0.64 3dlbB1 VAL 74 H 0.04 0.14 0.17 -0.55 8.24 8.04 3dlbB1 VAL 74 HA 0.01 0.07 0.67 -0.75 4.13 4.13 3dlbB1 VAL 74 HB 0.12 0.18 0.21 -0.04 2.12 2.60 3dlbB1 VAL 74 HG13 0.06 -0.02 0.04 -0.04 0.97 1.00 3dlbB1 VAL 74 HG23 0.03 0.00 0.04 -0.04 0.95 0.98 3dlbB1 LEU 75 H -0.02 0.25 0.11 -0.55 8.37 8.17 3dlbB1 LEU 75 HA 0.07 0.07 0.40 -0.75 4.35 4.13 3dlbB1 LEU 75 HB2 -0.08 -0.01 0.05 -0.04 1.64 1.56 3dlbB1 LEU 75 HB3 -0.09 0.04 0.17 -0.04 1.64 1.72 3dlbB1 LEU 75 HG -0.05 0.15 0.08 -0.04 1.64 1.78 3dlbB1 LEU 75 HD13 -0.08 -0.01 0.01 -0.04 0.93 0.81 3dlbB1 LEU 75 HD23 -0.02 -0.02 -0.20 -0.04 0.89 0.61 3dlbB1 GLU 76 H -0.10 0.18 -0.32 -0.55 8.60 7.81 3dlbB1 GLU 76 HA -0.62 0.26 0.74 -0.75 4.29 3.92 3dlbB1 GLU 76 HB2 -0.16 -0.07 -0.04 -0.04 2.09 1.78 3dlbB1 GLU 76 HB3 -0.23 -0.01 0.12 -0.04 1.99 1.83 3dlbB1 GLU 76 HG2 -0.15 -0.04 0.01 -0.04 2.34 2.12 3dlbB1 GLU 76 HG3 -0.20 0.24 -0.02 -0.04 2.34 2.31 3dlbB1 GLY 77 H -0.56 0.41 0.30 -0.55 8.43 8.03 3dlbB1 GLY 77 HA2 -0.11 -0.03 0.32 -0.51 4.01 3.69 3dlbB1 GLY 77 HA3 -0.05 0.22 0.75 -0.51 4.01 4.42 3dlbB1 THR 78 H 0.13 0.26 0.24 -0.55 8.28 8.37 3dlbB1 THR 78 HA 0.21 0.28 1.12 -0.75 4.39 5.25 3dlbB1 THR 78 HB 0.09 0.04 0.02 -0.04 4.32 4.42 3dlbB1 THR 78 HG23 0.03 -0.03 -0.21 -0.04 1.22 0.96 3dlbB1 LEU 79 H 0.19 0.58 0.35 -0.55 8.37 8.95 3dlbB1 LEU 79 HA 0.10 0.13 0.72 -0.75 4.35 4.54 3dlbB1 LEU 79 HB2 0.05 0.04 0.02 -0.04 1.64 1.70 3dlbB1 LEU 79 HB3 0.05 0.10 -0.15 -0.04 1.64 1.59 3dlbB1 LEU 79 HG -0.03 0.03 -0.20 -0.04 1.64 1.39 3dlbB1 LEU 79 HD13 0.15 0.04 -0.15 -0.04 0.93 0.93 3dlbB1 LEU 79 HD23 0.11 -0.03 -0.24 -0.04 0.89 0.68 3dlbB1 ALA 80 H 0.08 0.21 0.17 -0.55 8.40 8.31 3dlbB1 ALA 80 HA 0.11 0.34 1.10 -0.75 4.34 5.14 3dlbB1 ALA 80 HB3 0.05 -0.02 -0.04 -0.04 1.41 1.36 3dlbB1 ARG 81 H 0.15 0.91 0.23 -0.55 8.46 9.20 3dlbB1 ARG 81 HA 0.08 0.08 0.73 -0.75 4.34 4.48 3dlbB1 ARG 81 HB2 0.08 0.08 -0.18 -0.04 1.90 1.84 3dlbB1 ARG 81 HB3 0.18 0.01 0.01 -0.04 1.80 1.96 3dlbB1 ARG 81 HG2 0.07 -0.03 -0.17 -0.04 1.67 1.50 3dlbB1 ARG 81 HG3 0.06 -0.05 -0.02 -0.04 1.67 1.62 3dlbB1 ARG 81 HD2 0.02 0.06 -0.06 -0.04 3.22 3.19 3dlbB1 ARG 81 HD3 -0.01 -0.01 -0.13 -0.04 3.22 3.03 3dlbB1 MET 82 H 0.08 0.19 0.10 -0.55 8.47 8.30 3dlbB1 MET 82 HA 0.08 0.05 0.33 -0.75 4.52 4.22 3dlbB1 MET 82 HB2 0.09 0.16 -0.06 -0.04 2.15 2.29 3dlbB1 MET 82 HB3 0.07 0.01 0.26 -0.04 2.03 2.33 3dlbB1 MET 82 HG2 0.06 -0.03 -0.05 -0.04 2.63 2.57 3dlbB1 MET 82 HG3 0.06 0.01 -0.01 -0.04 2.56 2.57 3dlbB1 MET 82 HE3 0.06 0.00 0.02 -0.04 2.10 2.14 3dlbB1 GLY 83 H 0.08 0.07 -0.28 -0.55 8.43 7.75 3dlbB1 GLY 83 HA2 0.06 0.01 0.24 -0.51 4.01 3.81 3dlbB1 GLY 83 HA3 0.06 0.11 0.44 -0.51 4.01 4.11 3dlbB1 GLN 84 H 0.07 0.43 -0.60 -0.55 8.47 7.83 3dlbB1 GLN 84 HA -0.05 0.14 0.80 -0.75 4.36 4.49 3dlbB1 GLN 84 HB2 0.09 0.10 0.07 -0.04 2.15 2.37 3dlbB1 GLN 84 HB3 -0.22 0.01 0.03 -0.04 2.02 1.81 3dlbB1 GLN 84 HG2 0.04 0.10 -0.02 -0.04 2.40 2.48 3dlbB1 GLN 84 HG3 0.01 -0.04 0.00 -0.04 2.39 2.31 3dlbB1 GLN 84 HE21 0.00 -0.02 -0.09 -0.04 6.97 6.82 3dlbB1 GLN 84 HE22 0.02 0.07 -0.10 -0.04 7.69 7.65 3dlbB1 THR 85 H -0.19 0.19 0.20 -0.55 8.28 7.93 3dlbB1 THR 85 HA 0.05 0.31 1.22 -0.75 4.39 5.21 3dlbB1 THR 85 HB 0.01 -0.01 -0.11 -0.04 4.32 4.17 3dlbB1 THR 85 HG23 -0.05 0.00 0.02 -0.04 1.22 1.15 3dlbB1 TYR 86 H 0.24 0.64 0.38 -0.55 8.29 9.00 3dlbB1 TYR 86 HA 0.05 0.35 1.14 -0.75 4.56 5.34 3dlbB1 TYR 86 HB2 0.07 -0.06 -0.02 -0.04 3.06 3.01 3dlbB1 TYR 86 HB3 0.07 -0.01 -0.06 -0.04 2.98 2.94 3dlbB1 TYR 86 HD2 0.04 0.15 -0.20 -0.04 7.15 7.10 3dlbB1 TYR 86 HE2 0.03 0.02 -0.21 -0.04 6.85 6.64 3dlbB1 ALA 87 H 0.15 0.69 0.42 -0.55 8.40 9.11 3dlbB1 ALA 87 HA 0.11 0.22 1.04 -0.75 4.34 4.96 3dlbB1 ALA 87 HB3 0.04 -0.02 0.13 -0.04 1.41 1.51 3dlbB1 TYR 88 H 0.04 0.58 0.32 -0.55 8.29 8.67 3dlbB1 TYR 88 HA 0.07 0.38 1.17 -0.75 4.56 5.43 3dlbB1 TYR 88 HB2 0.05 -0.03 -0.02 -0.04 3.06 3.01 3dlbB1 TYR 88 HB3 0.05 -0.06 -0.20 -0.04 2.98 2.74 3dlbB1 TYR 88 HD2 0.03 -0.04 -0.41 -0.04 7.15 6.69 3dlbB1 TYR 88 HE2 0.01 0.07 -0.31 -0.04 6.85 6.57 3dlbB1 ARG 89 H 0.23 0.31 0.25 -0.55 8.46 8.70 3dlbB1 ARG 89 HA -0.16 0.28 0.82 -0.75 4.34 4.53 3dlbB1 ARG 89 HB2 -0.04 0.02 -0.10 -0.04 1.90 1.74 3dlbB1 ARG 89 HB3 0.17 -0.08 0.05 -0.04 1.80 1.90 3dlbB1 ARG 89 HG2 -0.51 -0.03 -0.24 -0.04 1.67 0.84 3dlbB1 ARG 89 HG3 -0.29 0.16 0.13 -0.04 1.67 1.63 3dlbB1 ARG 89 HD2 -0.11 -0.02 0.01 -0.04 3.22 3.06 3dlbB1 ARG 89 HD3 0.03 -0.07 -0.05 -0.04 3.22 3.09 3dlbB1 LEU 90 H -0.03 0.57 0.29 -0.55 8.37 8.66 3dlbB1 LEU 90 HA 0.20 0.32 0.94 -0.75 4.35 5.06 3dlbB1 LEU 90 HB2 0.03 -0.05 0.04 -0.04 1.64 1.63 3dlbB1 LEU 90 HB3 0.09 -0.05 -0.03 -0.04 1.64 1.61 3dlbB1 LEU 90 HG 0.31 0.05 -0.12 -0.04 1.64 1.84 3dlbB1 LEU 90 HD13 0.09 -0.00 -0.19 -0.04 0.93 0.79 3dlbB1 LEU 90 HD23 0.17 -0.00 -0.30 -0.04 0.89 0.71 3dlbB1 TYR 91 H 0.26 0.46 0.23 -0.55 8.29 8.70 3dlbB1 TYR 91 HA 0.03 0.21 0.93 -0.75 4.56 4.97 3dlbB1 TYR 91 HB2 0.04 -0.12 0.12 -0.04 3.06 3.05 3dlbB1 TYR 91 HB3 0.03 0.06 0.02 -0.04 2.98 3.05 3dlbB1 TYR 91 HD2 0.03 0.04 -0.23 -0.04 7.15 6.95 3dlbB1 TYR 91 HE2 0.02 -0.01 -0.12 -0.04 6.85 6.70 3dlbB1 PRO 92 HA 0.12 0.17 0.64 -0.51 4.44 4.86 3dlbB1 PRO 92 HB2 0.07 0.00 0.08 -0.04 2.28 2.39 3dlbB1 PRO 92 HB3 0.07 -0.02 0.15 -0.04 2.02 2.17 3dlbB1 PRO 92 HG2 -0.03 0.03 0.06 -0.04 2.03 2.05 3dlbB1 PRO 92 HG3 -0.01 0.06 0.01 -0.04 2.03 2.06 3dlbB1 PRO 92 HD2 0.01 0.10 0.20 -0.04 3.68 3.95 3dlbB1 PRO 92 HD3 -0.02 0.23 -0.05 -0.04 3.65 3.76 3dlbB1 LYS 93 H 0.17 0.24 0.27 -0.55 8.42 8.55 3dlbB1 LYS 93 HA 0.10 0.12 0.72 -0.75 4.32 4.51 3dlbB1 LYS 93 HB2 0.09 0.04 -0.02 -0.04 1.87 1.94 3dlbB1 LYS 93 HB3 0.07 -0.03 0.18 -0.04 1.79 1.96 3dlbB1 LYS 93 HG2 0.12 0.06 -0.87 -0.04 1.46 0.72 3dlbB1 LYS 93 HG3 0.07 -0.08 -0.13 -0.04 1.46 1.28 3dlbB1 LYS 93 HD2 0.08 0.07 0.08 -0.04 1.69 1.88 3dlbB1 LYS 93 HD3 0.08 -0.04 -0.09 -0.04 1.68 1.59 3dlbB1 LYS 93 HE2 0.03 -0.04 -0.02 -0.04 2.99 2.92 3dlbB1 LYS 93 HE3 0.04 0.01 0.03 -0.04 2.99 3.03 3dlbB1 GLY 94 H 0.27 -0.05 0.14 -0.55 8.43 8.25 3dlbB1 GLY 94 HA2 0.29 -0.07 0.45 -0.51 4.01 4.17 3dlbB1 GLY 94 HA3 0.10 0.13 0.46 -0.51 4.01 4.19 3dlbB1 ARG 95 H -0.30 0.00 0.16 -0.55 8.46 7.77 3dlbB1 ARG 95 HA -0.22 0.17 0.36 -0.75 4.34 3.90 3dlbB1 ARG 95 HB2 -0.28 -0.14 0.06 -0.04 1.90 1.50 3dlbB1 ARG 95 HB3 -0.28 0.21 0.00 -0.04 1.80 1.68 3dlbB1 ARG 95 HG2 -1.19 0.12 0.01 -0.04 1.67 0.57 3dlbB1 ARG 95 HG3 -1.23 -0.21 0.12 -0.04 1.67 0.31 3dlbB1 ARG 95 HD2 -0.40 -0.12 0.04 -0.04 3.22 2.69 3dlbB1 ARG 95 HD3 -0.37 0.14 0.08 -0.04 3.22 3.03 3dlbB1 ARG 96 H -0.07 0.75 0.12 -0.55 8.46 8.71 3dlbB1 ARG 96 HA -0.03 0.11 0.75 -0.75 4.34 4.41 3dlbB1 ARG 96 HB2 0.00 0.05 -0.02 -0.04 1.90 1.89 3dlbB1 ARG 96 HB3 0.00 -0.03 -0.02 -0.04 1.80 1.72 3dlbB1 ARG 96 HG2 -0.01 0.04 -0.28 -0.04 1.67 1.38 3dlbB1 ARG 96 HG3 -0.01 0.01 0.06 -0.04 1.67 1.69 3dlbB1 ARG 96 HD2 0.00 -0.05 -0.07 -0.04 3.22 3.06 3dlbB1 ARG 96 HD3 -0.00 -0.07 -0.03 -0.04 3.22 3.08 3dlbB1 PRO 97 HA -0.01 0.38 0.91 -0.51 4.44 5.20 3dlbB1 PRO 97 HB2 -0.01 -0.01 -0.00 -0.04 2.28 2.21 3dlbB1 PRO 97 HB3 -0.02 0.02 0.07 -0.04 2.02 2.05 3dlbB1 PRO 97 HG2 -0.01 -0.03 0.11 -0.04 2.03 2.05 3dlbB1 PRO 97 HG3 -0.02 -0.01 0.06 -0.04 2.03 2.02 3dlbB1 PRO 97 HD2 -0.02 0.08 0.23 -0.04 3.68 3.93 3dlbB1 PRO 97 HD3 -0.04 0.14 0.04 -0.04 3.65 3.76 3dlbB1 LEU 98 H 0.01 0.65 0.33 -0.55 8.37 8.82 3dlbB1 LEU 98 HA -0.00 0.06 0.88 -0.75 4.35 4.53 3dlbB1 LEU 98 HB2 0.01 0.09 0.03 -0.04 1.64 1.73 3dlbB1 LEU 98 HB3 -0.01 -0.08 -0.05 -0.04 1.64 1.46 3dlbB1 LEU 98 HG -0.02 -0.06 -0.06 -0.04 1.64 1.46 3dlbB1 LEU 98 HD13 -0.00 -0.02 -0.69 -0.04 0.93 0.17 3dlbB1 LEU 98 HD23 -0.04 0.02 -0.05 -0.04 0.89 0.77 3dlbB1 ASP 99 H -0.00 0.09 0.14 -0.55 8.40 8.07 3dlbB1 ASP 99 HA 0.01 0.36 0.95 -0.75 4.63 5.20 3dlbB1 ASP 99 HB2 -0.00 -0.02 0.16 -0.04 2.71 2.81 3dlbB1 ASP 99 HB3 0.00 -0.16 -0.02 -0.04 2.70 2.48 3dlbB1 PRO 100 HA 0.01 0.03 0.10 -0.51 4.44 4.07 3dlbB1 PRO 100 HB2 0.01 0.20 -0.14 -0.04 2.28 2.31 3dlbB1 PRO 100 HB3 0.01 0.04 0.05 -0.04 2.02 2.08 3dlbB1 PRO 100 HG2 0.01 0.14 0.02 -0.04 2.03 2.15 3dlbB1 PRO 100 HG3 0.01 0.05 0.08 -0.04 2.03 2.13 3dlbB1 PRO 100 HD2 0.01 0.09 0.07 -0.04 3.68 3.81 3dlbB1 PRO 100 HD3 0.01 0.24 0.31 -0.04 3.65 4.16 3dlbB1 LYS 101 H 0.01 0.05 -1.15 -0.55 8.42 6.77 3dlbB1 LYS 101 HA 0.02 0.49 1.64 -0.75 4.32 5.72 3dlbB1 ASP 102 H 0.00 0.32 -0.08 -0.55 8.40 8.09 3dlbB1 ASP 102 HA -0.00 0.18 0.47 -0.75 4.63 4.52 3dlbB1 ASP 102 HB2 -0.00 0.04 -0.04 -0.04 2.71 2.67 3dlbB1 ASP 102 HB3 -0.00 0.06 0.24 -0.04 2.70 2.96 3dlbB1 PRO 103 HA -0.01 0.07 0.22 -0.51 4.44 4.21 3dlbB1 PRO 103 HB2 -0.02 0.04 0.01 -0.04 2.28 2.27 3dlbB1 PRO 103 HB3 -0.01 0.10 0.09 -0.04 2.02 2.16 3dlbB1 PRO 103 HG2 -0.01 -0.15 -0.18 -0.04 2.03 1.65 3dlbB1 PRO 103 HG3 -0.01 0.09 -0.01 -0.04 2.03 2.06 3dlbB1 PRO 103 HD2 -0.00 0.09 0.08 -0.04 3.68 3.81 3dlbB1 PRO 103 HD3 -0.00 0.21 0.14 -0.04 3.65 3.96 3dlbB1 GLY 104 H -0.01 0.07 0.11 -0.55 8.43 8.06 3dlbB1 GLY 104 HA2 -0.03 0.04 0.41 -0.51 4.01 3.92 3dlbB1 GLY 104 HA3 -0.02 0.02 0.46 -0.51 4.01 3.96 3dlbB1 GLU 105 H -0.02 0.35 0.12 -0.55 8.60 8.50 3dlbB1 GLU 105 HA -0.03 0.06 0.33 -0.75 4.29 3.89 3dlbB1 GLU 105 HB2 -0.01 0.19 0.07 -0.04 2.09 2.30 3dlbB1 GLU 105 HB3 -0.02 -0.01 0.12 -0.04 1.99 2.04 3dlbB1 GLU 105 HG2 -0.02 -0.02 0.12 -0.04 2.34 2.38 3dlbB1 GLU 105 HG3 -0.01 0.04 0.20 -0.04 2.34 2.53 3dlbB1 ARG 106 H -0.01 0.23 -0.82 -0.55 8.46 7.30 3dlbB1 ARG 106 HA -0.02 0.13 0.60 -0.75 4.34 4.30 3dlbB1 ARG 106 HB2 0.01 -0.01 -0.19 -0.04 1.90 1.67 3dlbB1 ARG 106 HB3 0.00 -0.05 -0.32 -0.04 1.80 1.39 3dlbB1 ARG 106 HG2 0.02 0.05 -0.29 -0.04 1.67 1.41 3dlbB1 ARG 106 HG3 0.04 -0.12 -0.00 -0.04 1.67 1.54 3dlbB1 ARG 106 HD2 0.10 0.10 -0.23 -0.04 3.22 3.15 3dlbB1 ARG 106 HD3 0.04 0.02 -0.20 -0.04 3.22 3.04 3dlbB1 SER 107 H -0.04 0.62 -0.27 -0.55 8.46 8.24 3dlbB1 SER 107 HA -0.05 0.04 0.41 -0.75 4.49 4.14 3dlbB1 SER 107 HB2 -0.05 0.17 0.18 -0.04 3.95 4.20 3dlbB1 SER 107 HB3 -0.06 -0.06 0.03 -0.04 3.93 3.80 3dlbB1 VAL 108 H -0.07 0.24 -0.34 -0.55 8.24 7.53 3dlbB1 VAL 108 HA -0.12 0.11 0.41 -0.75 4.13 3.78 3dlbB1 VAL 108 HB -0.09 0.18 0.09 -0.04 2.12 2.27 3dlbB1 VAL 108 HG13 -0.15 0.01 -0.22 -0.04 0.97 0.58 3dlbB1 VAL 108 HG23 -0.08 0.03 0.01 -0.04 0.95 0.88 3dlbB1 LEU 109 H -0.09 0.34 -0.13 -0.55 8.37 7.95 3dlbB1 LEU 109 HA -0.31 0.08 0.31 -0.75 4.35 3.68 3dlbB1 LEU 109 HB2 -0.03 0.03 0.05 -0.04 1.64 1.66 3dlbB1 LEU 109 HB3 -0.00 -0.01 -0.08 -0.04 1.64 1.50 3dlbB1 LEU 109 HG -0.03 0.10 -0.02 -0.04 1.64 1.65 3dlbB1 LEU 109 HD13 0.02 -0.00 -0.19 -0.04 0.93 0.72 3dlbB1 LEU 109 HD23 0.10 0.00 -0.02 -0.04 0.89 0.93 3dlbB1 SER 110 H -0.04 0.57 -0.35 -0.55 8.46 8.09 3dlbB1 SER 110 HA 0.07 -0.04 0.45 -0.75 4.49 4.22 3dlbB1 SER 110 HB2 0.01 0.15 0.14 -0.04 3.95 4.21 3dlbB1 SER 110 HB3 0.13 0.01 0.09 -0.04 3.93 4.12 3dlbB1 ALA 111 H -0.10 0.43 -0.30 -0.55 8.40 7.89 3dlbB1 ALA 111 HA -0.05 0.01 0.41 -0.75 4.34 3.96 3dlbB1 ALA 111 HB3 -0.11 0.03 0.13 -0.04 1.41 1.42 3dlbB1 LEU 112 H -0.33 0.80 -0.14 -0.55 8.37 8.16 3dlbB1 LEU 112 HA -0.36 -0.02 0.26 -0.75 4.35 3.47 3dlbB1 LEU 112 HB2 -1.18 0.12 0.14 -0.04 1.64 0.67 3dlbB1 LEU 112 HB3 -2.48 -0.04 -0.08 -0.04 1.64 -1.00 3dlbB1 LEU 112 HG -0.48 0.10 -0.12 -0.04 1.64 1.09 3dlbB1 LEU 112 HD13 -0.95 -0.02 -0.20 -0.04 0.93 -0.28 3dlbB1 LEU 112 HD23 -0.42 -0.01 -0.23 -0.04 0.89 0.19 3dlbB1 ALA 113 H -0.33 0.87 -0.06 -0.55 8.40 8.33 3dlbB1 ALA 113 HA 0.69 -0.05 0.31 -0.75 4.34 4.54 3dlbB1 ALA 113 HB3 0.19 0.02 -0.06 -0.04 1.41 1.53 3dlbB1 ARG 114 H 0.05 0.67 -0.31 -0.55 8.46 8.31 3dlbB1 ARG 114 HA 0.14 -0.09 0.50 -0.75 4.34 4.13 3dlbB1 ARG 114 HB2 0.11 0.19 0.24 -0.04 1.90 2.40 3dlbB1 ARG 114 HB3 0.03 0.09 0.20 -0.04 1.80 2.08 3dlbB1 ARG 114 HG2 0.04 -0.02 -0.08 -0.04 1.67 1.57 3dlbB1 ARG 114 HG3 0.09 -0.11 0.13 -0.04 1.67 1.73 3dlbB1 ARG 114 HD2 0.08 -0.06 0.06 -0.04 3.22 3.27 3dlbB1 ARG 114 HD3 0.03 0.02 0.02 -0.04 3.22 3.26 3dlbB1 ARG 115 H 0.01 0.58 -0.07 -0.55 8.46 8.42 3dlbB1 ARG 115 HA 0.04 0.03 0.53 -0.75 4.34 4.18 3dlbB1 ARG 115 HB2 -0.02 0.08 0.10 -0.04 1.90 2.02 3dlbB1 ARG 115 HB3 0.01 0.06 0.15 -0.04 1.80 1.97 3dlbB1 ARG 115 HG2 0.01 0.04 0.06 -0.04 1.67 1.73 3dlbB1 ARG 115 HG3 0.05 -0.15 0.01 -0.04 1.67 1.53 3dlbB1 ARG 115 HD2 0.01 0.06 0.09 -0.04 3.22 3.34 3dlbB1 ARG 115 HD3 0.03 -0.04 0.13 -0.04 3.22 3.30 3dlbB1 LEU 116 H 0.17 0.69 -0.08 -0.55 8.37 8.60 3dlbB1 LEU 116 HA 0.16 -0.05 0.36 -0.75 4.35 4.07 3dlbB1 LEU 116 HB2 0.53 -0.00 0.08 -0.04 1.64 2.21 3dlbB1 LEU 116 HB3 0.37 0.25 0.19 -0.04 1.64 2.42 3dlbB1 LEU 116 HG 0.11 0.02 -0.19 -0.04 1.64 1.53 3dlbB1 LEU 116 HD13 0.11 -0.02 -0.00 -0.04 0.93 0.98 3dlbB1 LEU 116 HD23 0.19 -0.01 -0.03 -0.04 0.89 1.01 3dlbB1 LEU 117 H 0.15 0.52 -0.08 -0.55 8.37 8.42 3dlbB1 LEU 117 HA 0.04 0.00 0.32 -0.75 4.35 3.96 3dlbB1 LEU 117 HB2 0.11 0.01 0.10 -0.04 1.64 1.81 3dlbB1 LEU 117 HB3 0.09 0.15 0.11 -0.04 1.64 1.96 3dlbB1 LEU 117 HG 0.04 0.03 -0.21 -0.04 1.64 1.47 3dlbB1 LEU 117 HD13 0.02 -0.01 -0.05 -0.04 0.93 0.85 3dlbB1 LEU 117 HD23 0.08 -0.01 -0.15 -0.04 0.89 0.77 3dlbB1 GLN 118 H 0.06 0.37 -0.32 -0.55 8.47 8.04 3dlbB1 GLN 118 HA 0.03 0.03 0.39 -0.75 4.36 4.06 3dlbB1 GLN 118 HB2 0.04 0.18 0.23 -0.04 2.15 2.56 3dlbB1 GLN 118 HB3 0.04 -0.06 0.04 -0.04 2.02 2.00 3dlbB1 GLN 118 HG2 0.05 0.24 0.07 -0.04 2.40 2.72 3dlbB1 GLN 118 HG3 0.05 0.06 0.11 -0.04 2.39 2.57 3dlbB1 GLN 118 HE21 0.03 -0.08 -0.03 -0.04 6.97 6.85 3dlbB1 GLN 118 HE22 0.04 0.11 -0.04 -0.04 7.69 7.76 3dlbB1 GLU 119 H 0.05 0.54 0.01 -0.55 8.60 8.66 3dlbB1 GLU 119 HA 0.02 -0.01 0.49 -0.75 4.29 4.03 3dlbB1 ARG 120 H 0.02 0.73 -0.06 -0.55 8.46 8.60 3dlbB1 ARG 120 HA -0.03 -0.01 0.52 -0.75 4.34 4.07 3dlbB1 ARG 120 HB2 -0.02 0.06 0.08 -0.04 1.90 1.98 3dlbB1 ARG 120 HB3 -0.06 0.02 -0.02 -0.04 1.80 1.71 3dlbB1 ARG 120 HG2 -0.02 -0.08 -0.03 -0.04 1.67 1.50 3dlbB1 ARG 120 HG3 -0.01 -0.05 -0.08 -0.04 1.67 1.48 3dlbB1 ARG 120 HD2 -0.09 0.07 0.09 -0.04 3.22 3.25 3dlbB1 ARG 120 HD3 -0.07 -0.04 0.04 -0.04 3.22 3.11 3dlbB1 LEU 121 H -0.01 0.73 -0.06 -0.55 8.37 8.49 3dlbB1 LEU 121 HA -0.04 -0.05 0.37 -0.75 4.35 3.87 3dlbB1 LEU 121 HB2 0.01 0.17 0.13 -0.04 1.64 1.90 3dlbB1 LEU 121 HB3 -0.01 -0.02 -0.12 -0.04 1.64 1.46 3dlbB1 LEU 121 HG 0.00 -0.08 -0.07 -0.04 1.64 1.45 3dlbB1 LEU 121 HD13 -0.01 -0.01 -0.09 -0.04 0.93 0.78 3dlbB1 LEU 121 HD23 0.02 -0.02 -0.19 -0.04 0.89 0.67 3dlbB1 ARG 122 H -0.03 0.33 -0.46 -0.55 8.46 7.74 3dlbB1 ARG 122 HA -0.13 0.02 0.48 -0.75 4.34 3.96 3dlbB1 ARG 122 HB2 -0.05 -0.08 0.11 -0.04 1.90 1.84 3dlbB1 ARG 122 HB3 -0.03 0.19 0.22 -0.04 1.80 2.13 3dlbB1 ARG 122 HG2 -0.05 -0.01 -0.08 -0.04 1.67 1.48 3dlbB1 ARG 122 HG3 -0.07 -0.06 -0.18 -0.04 1.67 1.32 3dlbB1 ARG 122 HD2 -0.01 0.06 0.09 -0.04 3.22 3.31 3dlbB1 ARG 122 HD3 -0.02 -0.07 0.01 -0.04 3.22 3.10 3dlbB1 ARG 123 H -0.06 0.23 -0.04 -0.55 8.46 8.04 3dlbB1 ARG 123 HA -0.07 -0.04 0.32 -0.75 4.34 3.79 3dlbB1 LEU 124 H -0.08 0.21 -0.43 -0.55 8.37 7.53 3dlbB1 LEU 124 HA -0.07 -0.12 0.40 -0.75 4.35 3.81 3dlbB1 GLU 125 H -0.02 0.02 0.23 -0.55 8.60 8.28 3dlbB1 GLU 125 HA -0.09 0.33 1.06 -0.75 4.29 4.83 3dlbB1 GLU 125 HB2 -0.04 0.15 0.06 -0.04 2.09 2.22 3dlbB1 GLU 125 HB3 -0.01 -0.07 0.04 -0.04 1.99 1.90 3dlbB1 GLU 125 HG2 -0.03 -0.25 0.18 -0.04 2.34 2.19 3dlbB1 GLU 125 HG3 -0.08 0.15 0.13 -0.04 2.34 2.50 3dlbB1 GLY 126 H -0.02 0.16 0.17 -0.55 8.43 8.20 3dlbB1 GLY 126 HA2 0.04 -0.03 0.35 -0.51 4.01 3.86 3dlbB1 GLY 126 HA3 0.05 0.05 0.49 -0.51 4.01 4.08 3dlbB1 VAL 127 H -0.03 0.19 -0.40 -0.55 8.24 7.45 3dlbB1 VAL 127 HA 0.11 0.15 0.71 -0.75 4.13 4.35 3dlbB1 VAL 127 HB 0.09 0.00 -0.25 -0.04 2.12 1.91 3dlbB1 VAL 127 HG13 0.13 0.08 -0.26 -0.04 0.97 0.88 3dlbB1 VAL 127 HG23 0.11 0.05 -0.04 -0.04 0.95 1.03 3dlbB1 TRP 128 H 0.30 0.24 0.18 -0.55 7.97 8.13 3dlbB1 TRP 128 HA 0.08 0.25 1.05 -0.75 4.62 5.24 3dlbB1 TRP 128 HB2 0.06 -0.03 0.06 -0.04 3.23 3.27 3dlbB1 TRP 128 HB3 0.07 -0.01 -0.08 -0.04 3.23 3.17 3dlbB1 TRP 128 HD1 0.03 -0.05 -0.08 -0.04 7.22 7.08 3dlbB1 TRP 128 HE1 0.03 -0.03 -0.01 -0.04 10.20 10.14 3dlbB1 TRP 128 HE3 0.07 -0.03 -0.29 -0.04 7.59 7.31 3dlbB1 TRP 128 HZ2 0.03 -0.03 0.01 -0.04 7.44 7.41 3dlbB1 TRP 128 HZ3 0.04 0.16 0.05 -0.04 7.13 7.34 3dlbB1 TRP 128 HH2 0.03 -0.02 0.03 -0.04 7.19 7.18 3dlbB1 VAL 129 H -0.10 0.23 0.13 -0.55 8.24 7.95 3dlbB1 VAL 129 HA 0.32 0.30 1.01 -0.75 4.13 5.00 3dlbB1 VAL 129 HB -0.02 0.02 -0.00 -0.04 2.12 2.07 3dlbB1 VAL 129 HG13 0.07 -0.03 -0.57 -0.04 0.97 0.40 3dlbB1 VAL 129 HG23 -0.03 0.05 -0.24 -0.04 0.95 0.68 3dlbB1 GLU 130 H 0.36 0.55 0.09 -0.55 8.60 9.06 3dlbB1 GLU 130 HA 0.30 0.17 0.91 -0.75 4.29 4.91 3dlbB1 GLU 130 HB2 0.12 -0.01 0.05 -0.04 2.09 2.20 3dlbB1 GLU 130 HB3 0.17 0.01 -0.04 -0.04 1.99 2.10 3dlbB1 GLU 130 HG2 0.46 0.14 0.10 -0.04 2.34 2.99 3dlbB1 GLU 130 HG3 0.21 -0.11 0.24 -0.04 2.34 2.64 3dlbB1 GLY 131 H 0.16 0.31 -0.02 -0.55 8.43 8.34 3dlbB1 GLY 131 HA2 0.08 0.05 0.35 -0.51 4.01 3.98 3dlbB1 GLY 131 HA3 0.07 0.04 0.61 -0.51 4.01 4.23 3dlbB1 LEU 132 H 0.06 0.17 0.25 -0.55 8.37 8.30 3dlbB1 LEU 132 HA 0.05 0.23 0.75 -0.75 4.35 4.62 3dlbB1 LEU 132 HB2 0.04 -0.01 0.07 -0.04 1.64 1.70 3dlbB1 LEU 132 HB3 0.05 0.04 0.07 -0.04 1.64 1.76 3dlbB1 LEU 132 HG 0.05 -0.08 -0.28 -0.04 1.64 1.28 3dlbB1 LEU 132 HD13 0.05 0.01 0.02 -0.04 0.93 0.97 3dlbB1 LEU 132 HD23 0.06 0.04 -0.02 -0.04 0.89 0.93 3dlbB1 ALA 133 H 0.07 0.26 -0.00 -0.55 8.40 8.18 3dlbB1 ALA 133 HA -0.11 0.17 0.87 -0.75 4.34 4.51 3dlbB1 ALA 133 HB3 0.02 0.02 0.09 -0.04 1.41 1.49 3dlbB1 VAL 134 H -0.19 0.36 0.28 -0.55 8.24 8.14 3dlbB1 VAL 134 HA 0.02 0.19 0.68 -0.75 4.13 4.27 3dlbB1 VAL 134 HB -0.03 -0.07 0.03 -0.04 2.12 2.00 3dlbB1 VAL 134 HG13 0.08 0.01 -0.14 -0.04 0.97 0.89 3dlbB1 VAL 134 HG23 0.01 0.04 -0.15 -0.04 0.95 0.81 3dlbB1 TYR 135 H 0.16 0.30 0.06 -0.55 8.29 8.25 3dlbB1 TYR 135 HA 0.06 0.02 0.78 -0.75 4.56 4.66 3dlbB1 TYR 135 HB2 0.13 0.03 0.07 -0.04 3.06 3.25 3dlbB1 TYR 135 HB3 0.08 -0.02 -0.20 -0.04 2.98 2.81 3dlbB1 TYR 135 HD2 0.11 0.05 -0.48 -0.04 7.15 6.78 3dlbB1 TYR 135 HE2 0.04 0.07 -0.28 -0.04 6.85 6.64 3dlbB1 ARG 136 H 0.05 0.21 0.26 -0.55 8.46 8.43 3dlbB1 ARG 136 HA 0.02 0.17 0.75 -0.75 4.34 4.53 3dlbB1 ARG 136 HB2 -0.20 -0.01 0.07 -0.04 1.90 1.72 3dlbB1 ARG 136 HB3 -0.13 -0.06 0.24 -0.04 1.80 1.81 3dlbB1 ARG 136 HG2 -0.44 -0.04 0.04 -0.04 1.67 1.19 3dlbB1 ARG 136 HG3 -0.20 0.02 -0.05 -0.04 1.67 1.40 3dlbB1 ARG 136 HD2 -0.51 0.00 -0.01 -0.04 3.22 2.66 3dlbB1 ARG 136 HD3 -0.54 -0.04 -0.02 -0.04 3.22 2.58 3dlbB1 ARG 137 H -0.06 0.04 0.16 -0.55 8.46 8.05 3dlbB1 ARG 137 HA -0.04 0.08 0.54 -0.75 4.34 4.17 3dlbB1 ARG 137 HB2 -0.11 -0.02 0.11 -0.04 1.90 1.84 3dlbB1 ARG 137 HB3 -0.08 -0.04 0.09 -0.04 1.80 1.73 3dlbB1 ARG 137 HG2 -0.12 0.16 -0.38 -0.04 1.67 1.29 3dlbB1 ARG 137 HG3 -0.09 -0.02 0.04 -0.04 1.67 1.56 3dlbB1 ARG 137 HD2 -0.25 -0.03 -0.09 -0.04 3.22 2.80 3dlbB1 ARG 137 HD3 -0.16 0.02 -0.04 -0.04 3.22 3.00 3dlbB1 GLU 138 H -0.01 0.14 0.22 -0.55 8.60 8.40 3dlbB1 GLU 138 HA 0.07 -0.00 0.75 -0.75 4.29 4.35 3dlbB1 HIS 139 H 0.18 0.40 0.42 -0.55 8.41 8.86 3dlbB1 HIS 139 HA 0.04 0.08 0.58 -0.75 4.63 4.58 3dlbB1 HIS 139 HB2 0.08 0.04 -0.16 -0.04 3.26 3.18 3dlbB1 HIS 139 HB3 0.08 -0.09 -0.12 -0.04 3.20 3.03 3dlbB1 HIS 139 HD2 0.05 -0.05 0.05 -0.04 6.97 6.97 3dlbB1 HIS 139 HE1 0.05 -0.01 -0.03 -0.04 7.75 7.71 3dlbB1 ALA 140 H 0.13 0.34 -0.02 -0.55 8.40 8.31 3dlbB1 ALA 140 HA 0.12 0.14 0.48 -0.75 4.34 4.33 3dlbB1 ALA 140 HB3 0.25 -0.05 -0.02 -0.04 1.41 1.55 3dlbB1 ARG 141 H 0.13 0.27 0.12 -0.55 8.46 8.42 3dlbB1 ARG 141 HA -0.08 0.06 0.64 -0.75 4.34 4.21 3dlbB1 ARG 141 HB2 -0.01 -0.07 -0.30 -0.04 1.90 1.48 3dlbB1 ARG 141 HB3 -0.08 0.00 -0.08 -0.04 1.80 1.60 3dlbB1 ARG 141 HG2 -0.05 -0.01 0.11 -0.04 1.67 1.67 3dlbB1 ARG 141 HG3 -0.01 0.15 0.05 -0.04 1.67 1.82 3dlbB1 ARG 141 HD2 -0.03 -0.01 -0.01 -0.04 3.22 3.12 3dlbB1 ARG 141 HD3 -0.02 -0.01 -0.05 -0.04 3.22 3.10 3dlbB1 GLY 142 H -0.49 0.35 0.29 -0.55 8.43 8.04 3dlbB1 GLY 142 HA2 -0.56 0.13 0.59 -0.51 4.01 3.66 3dlbB1 GLY 142 HA3 -2.00 0.03 0.37 -0.51 4.01 1.90 3dlbB1 PRO 143 HA -0.28 0.10 0.57 -0.51 4.44 4.33 3dlbB1 PRO 143 HB2 -0.17 0.05 0.19 -0.04 2.28 2.31 3dlbB1 PRO 143 HB3 -0.20 0.02 0.13 -0.04 2.02 1.94 3dlbB1 PRO 143 HG2 -0.26 0.04 0.15 -0.04 2.03 1.92 3dlbB1 PRO 143 HG3 -0.08 0.07 0.12 -0.04 2.03 2.09 3dlbB1 PRO 143 HD2 -1.57 0.11 0.21 -0.04 3.68 2.39 3dlbB1 PRO 143 HD3 -0.40 0.13 0.17 -0.04 3.65 3.51 3dlbB1 GLY 144 H -0.23 0.52 0.11 -0.55 8.43 8.28 3dlbB1 GLY 144 HA2 0.17 -0.05 0.29 -0.51 4.01 3.90 3dlbB1 GLY 144 HA3 0.61 0.22 0.83 -0.51 4.01 5.16 3dlbB1 TRP 145 H -0.25 0.11 -0.34 -0.55 7.97 6.94 3dlbB1 TRP 145 HA 0.05 0.57 1.01 -0.75 4.62 5.50 3dlbB1 TRP 145 HB2 0.07 -0.06 -0.03 -0.04 3.23 3.17 3dlbB1 TRP 145 HB3 0.22 0.04 -0.06 -0.04 3.23 3.39 3dlbB1 TRP 145 HD1 0.06 -0.11 -0.30 -0.04 7.22 6.83 3dlbB1 TRP 145 HE1 0.06 0.06 -0.07 -0.04 10.20 10.20 3dlbB1 TRP 145 HE3 0.52 -0.01 -0.16 -0.04 7.59 7.89 3dlbB1 TRP 145 HZ2 0.04 0.05 0.06 -0.04 7.44 7.55 3dlbB1 TRP 145 HZ3 -0.14 0.11 -0.02 -0.04 7.13 7.04 3dlbB1 TRP 145 HH2 0.01 0.03 0.04 -0.04 7.19 7.23 3dlbB1 ARG 146 H 0.17 0.30 0.07 -0.55 8.46 8.45 3dlbB1 ARG 146 HA 0.08 0.07 0.46 -0.75 4.34 4.20 3dlbB1 ARG 146 HB2 -0.05 0.00 -0.22 -0.04 1.90 1.59 3dlbB1 ARG 146 HB3 0.00 0.03 -0.06 -0.04 1.80 1.73 3dlbB1 ARG 146 HG2 0.00 -0.02 0.08 -0.04 1.67 1.69 3dlbB1 ARG 146 HG3 0.01 0.12 0.01 -0.04 1.67 1.78 3dlbB1 ARG 146 HD2 -0.02 0.00 -0.02 -0.04 3.22 3.15 3dlbB1 ARG 146 HD3 -0.01 0.02 0.01 -0.04 3.22 3.19 3dlbB1 VAL 147 H 0.24 0.10 -0.10 -0.55 8.24 7.93 3dlbB1 VAL 147 HA 0.08 0.22 0.48 -0.75 4.13 4.16 3dlbB1 VAL 147 HB 0.17 -0.04 0.01 -0.04 2.12 2.22 3dlbB1 VAL 147 HG13 0.09 -0.00 -0.18 -0.04 0.97 0.83 3dlbB1 VAL 147 HG23 0.15 -0.01 -0.04 -0.04 0.95 1.01 3dlbB1 LEU 148 H -0.01 0.32 0.35 -0.55 8.37 8.49 3dlbB1 LEU 148 HA 0.11 -0.06 0.91 -0.75 4.35 4.55 3dlbB1 GLY 149 H 0.18 0.75 0.30 -0.55 8.43 9.12 3dlbB1 GLY 149 HA2 0.30 0.23 1.06 -0.51 4.01 5.08 3dlbB1 GLY 149 HA3 0.28 -0.04 0.36 -0.51 4.01 4.10 3dlbB1 GLY 150 H 0.18 0.72 0.37 -0.55 8.43 9.15 3dlbB1 GLY 150 HA2 -0.01 -0.10 0.48 -0.51 4.01 3.87 3dlbB1 GLY 150 HA3 -0.19 0.31 0.59 -0.51 4.01 4.20 3dlbB1 ALA 151 H -0.27 0.51 0.24 -0.55 8.40 8.33 3dlbB1 ALA 151 HA -0.08 0.13 0.69 -0.75 4.34 4.32 3dlbB1 ALA 151 HB3 -0.01 -0.03 -0.26 -0.04 1.41 1.07 3dlbB1 VAL 152 H -0.05 0.49 0.19 -0.55 8.24 8.31 3dlbB1 VAL 152 HA -0.06 0.03 0.67 -0.75 4.13 4.02 3dlbB1 VAL 152 HB 0.00 0.06 -0.02 -0.04 2.12 2.12 3dlbB1 VAL 152 HG13 -0.04 -0.02 0.01 -0.04 0.97 0.88 3dlbB1 VAL 152 HG23 -0.01 0.03 0.11 -0.04 0.95 1.04 3dlbB1 LEU 153 H 0.01 0.36 0.15 -0.55 8.37 8.34 3dlbB1 LEU 153 HA 0.07 0.32 0.99 -0.75 4.35 4.98 3dlbB1 LEU 153 HB2 0.04 0.08 0.10 -0.04 1.64 1.81 3dlbB1 LEU 153 HB3 0.05 -0.04 0.16 -0.04 1.64 1.77 3dlbB1 LEU 153 HG -0.01 0.06 -0.08 -0.04 1.64 1.57 3dlbB1 LEU 153 HD13 0.02 -0.01 -0.04 -0.04 0.93 0.86 3dlbB1 LEU 153 HD23 0.03 0.01 -0.20 -0.04 0.89 0.68 3dlbB1 ASP 154 H 0.12 0.41 0.29 -0.55 8.40 8.67 3dlbB1 ASP 154 HA 0.14 0.06 0.48 -0.75 4.63 4.56 3dlbB1 ASP 154 HB2 0.13 0.15 -0.22 -0.04 2.71 2.72 3dlbB1 ASP 154 HB3 0.28 -0.07 -0.08 -0.04 2.70 2.78 3dlbB1 LEU 155 H 0.24 0.29 0.20 -0.55 8.37 8.55 3dlbB1 LEU 155 HA 0.09 0.31 0.99 -0.75 4.35 4.99 3dlbB1 LEU 155 HB2 0.13 -0.01 -0.10 -0.04 1.64 1.62 3dlbB1 LEU 155 HB3 0.19 0.03 -0.05 -0.04 1.64 1.78 3dlbB1 LEU 155 HG 0.27 0.05 -0.10 -0.04 1.64 1.82 3dlbB1 LEU 155 HD13 0.14 0.03 -0.09 -0.04 0.93 0.97 3dlbB1 LEU 155 HD23 0.39 0.07 -0.03 -0.04 0.89 1.27 3dlbB1 TRP 156 H -0.23 0.41 0.27 -0.55 7.97 7.88 3dlbB1 TRP 156 HA 0.02 0.17 0.64 -0.75 4.62 4.69 3dlbB1 TRP 156 HB2 -0.01 -0.12 0.18 -0.04 3.23 3.24 3dlbB1 TRP 156 HB3 0.00 0.10 0.04 -0.04 3.23 3.33 3dlbB1 TRP 156 HD1 0.04 -0.08 -0.57 -0.04 7.22 6.57 3dlbB1 TRP 156 HE1 0.03 0.00 -0.24 -0.04 10.20 9.96 3dlbB1 TRP 156 HE3 -0.01 0.26 -0.15 -0.04 7.59 7.65 3dlbB1 TRP 156 HZ2 0.01 0.01 -0.17 -0.04 7.44 7.25 3dlbB1 TRP 156 HZ3 0.00 -0.07 -0.09 -0.04 7.13 6.93 3dlbB1 TRP 156 HH2 0.00 -0.05 -0.10 -0.04 7.19 7.01 3dlbB1 VAL 157 H 0.37 0.18 0.14 -0.55 8.24 8.38 3dlbB1 VAL 157 HA -0.12 0.36 1.02 -0.75 4.13 4.62 3dlbB1 VAL 157 HB 0.05 -0.03 -0.03 -0.04 2.12 2.07 3dlbB1 VAL 157 HG13 -0.04 0.07 -0.13 -0.04 0.97 0.82 3dlbB1 VAL 157 HG23 -0.11 -0.01 -0.39 -0.04 0.95 0.39 3dlbB1 SER 158 H -0.07 0.51 0.26 -0.55 8.46 8.62 3dlbB1 SER 158 HA 0.18 0.18 0.69 -0.75 4.49 4.79 3dlbB1 SER 158 HB2 0.01 -0.00 0.14 -0.04 3.95 4.06 3dlbB1 SER 158 HB3 -0.11 0.17 0.02 -0.04 3.93 3.97 3dlbB1 ASP 159 H 0.08 0.14 0.17 -0.55 8.40 8.24 3dlbB1 ASP 159 HA 0.04 0.43 0.48 -0.75 4.63 4.83 3dlbB1 ASP 159 HB2 0.03 0.06 0.14 -0.04 2.71 2.91 3dlbB1 ASP 159 HB3 0.06 -0.03 0.15 -0.04 2.70 2.84 3dlbB1 SER 160 H 0.02 -0.06 -0.34 -0.55 8.46 7.53 3dlbB1 SER 160 HA 0.01 0.08 0.40 -0.75 4.49 4.23 3dlbB1 SER 160 HB2 -0.00 -0.11 0.02 -0.04 3.95 3.82 3dlbB1 SER 160 HB3 0.00 0.06 -0.01 -0.04 3.93 3.94 3dlbB1 GLY 161 H -0.01 -0.03 -0.14 -0.55 8.43 7.70 3dlbB1 GLY 161 HA2 -0.02 0.08 0.27 -0.51 4.01 3.83 3dlbB1 GLY 161 HA3 -0.01 0.20 0.89 -0.51 4.01 4.58 3dlbB1 ALA 162 H -0.04 -0.12 0.19 -0.55 8.40 7.88 3dlbB1 ALA 162 HA -0.03 0.12 1.08 -0.75 4.34 4.76 3dlbB1 ALA 162 HB3 0.01 0.06 -0.09 -0.04 1.41 1.36 3dlbB1 PHE 163 H 0.26 0.60 0.15 -0.55 8.34 8.79 3dlbB1 PHE 163 HA -0.04 0.23 0.60 -0.75 4.62 4.65 3dlbB1 PHE 163 HB2 -0.05 0.02 0.06 -0.04 3.15 3.14 3dlbB1 PHE 163 HB3 -0.05 -0.01 0.04 -0.04 3.06 2.99 3dlbB1 PHE 163 HD2 0.02 0.13 -0.05 -0.04 7.28 7.34 3dlbB1 PHE 163 HE2 0.10 -0.03 -0.06 -0.04 7.38 7.34 3dlbB1 PHE 163 HZ -0.33 -0.03 -0.04 -0.04 7.32 6.88 3dlbB1 LEU 164 H -0.13 0.32 0.21 -0.55 8.37 8.22 3dlbB1 LEU 164 HA -0.23 0.16 0.68 -0.75 4.35 4.20 3dlbB1 LEU 164 HB2 -0.66 -0.01 -0.39 -0.04 1.64 0.54 3dlbB1 LEU 164 HB3 -1.74 -0.06 -0.09 -0.04 1.64 -0.28 3dlbB1 LEU 164 HG -0.76 0.01 -0.21 -0.04 1.64 0.63 3dlbB1 LEU 164 HD13 -0.21 0.02 -0.15 -0.04 0.93 0.55 3dlbB1 LEU 164 HD23 -0.92 -0.02 -0.15 -0.04 0.89 -0.25 3dlbB1 LEU 165 H -0.04 0.68 0.23 -0.55 8.37 8.70 3dlbB1 LEU 165 HA -0.01 0.27 1.09 -0.75 4.35 4.94 3dlbB1 LEU 165 HB2 0.03 -0.02 0.00 -0.04 1.64 1.60 3dlbB1 LEU 165 HB3 0.14 -0.03 0.06 -0.04 1.64 1.77 3dlbB1 LEU 165 HG 0.10 0.14 -0.18 -0.04 1.64 1.65 3dlbB1 LEU 165 HD13 0.04 0.02 -0.01 -0.04 0.93 0.93 3dlbB1 LEU 165 HD23 -0.04 -0.02 -0.16 -0.04 0.89 0.64 3dlbB1 GLU 166 H 0.15 0.66 0.39 -0.55 8.60 9.25 3dlbB1 GLU 166 HA 0.19 0.30 1.05 -0.75 4.29 5.09 3dlbB1 GLU 166 HB2 0.40 -0.07 -0.10 -0.04 2.09 2.28 3dlbB1 GLU 166 HB3 0.26 -0.04 0.03 -0.04 1.99 2.20 3dlbB1 GLU 166 HG2 0.15 0.03 -0.23 -0.04 2.34 2.25 3dlbB1 GLU 166 HG3 0.17 0.10 -0.00 -0.04 2.34 2.56 3dlbB1 VAL 167 H 0.24 0.56 0.23 -0.55 8.24 8.71 3dlbB1 VAL 167 HA 0.11 0.22 0.82 -0.75 4.13 4.53 3dlbB1 VAL 167 HB 0.30 0.00 -0.07 -0.04 2.12 2.31 3dlbB1 VAL 167 HG13 0.05 -0.02 -0.17 -0.04 0.97 0.79 3dlbB1 VAL 167 HG23 0.06 -0.01 -0.41 -0.04 0.95 0.55 3dlbB1 ASP 168 H 0.06 0.28 0.05 -0.55 8.40 8.24 3dlbB1 ASP 168 HA 0.11 0.13 0.63 -0.75 4.63 4.75 3dlbB1 ASP 168 HB2 0.08 0.02 -0.26 -0.04 2.71 2.51 3dlbB1 ASP 168 HB3 0.04 -0.05 0.09 -0.04 2.70 2.74 3dlbB1 PRO 169 HA 0.02 0.14 0.55 -0.51 4.44 4.64 3dlbB1 PRO 169 HB2 0.08 0.01 0.12 -0.04 2.28 2.44 3dlbB1 PRO 169 HB3 0.06 0.02 0.10 -0.04 2.02 2.16 3dlbB1 PRO 169 HG2 0.07 0.08 0.08 -0.04 2.03 2.22 3dlbB1 PRO 169 HG3 0.05 0.03 -0.10 -0.04 2.03 1.96 3dlbB1 PRO 169 HD2 0.12 0.13 0.16 -0.04 3.68 4.05 3dlbB1 PRO 169 HD3 0.10 0.10 0.04 -0.04 3.65 3.86 3dlbB1 ALA 170 H -0.00 1.17 0.61 -0.55 8.40 9.63 3dlbB1 ALA 170 HA -0.15 0.10 0.77 -0.75 4.34 4.30 3dlbB1 ALA 170 HB3 -0.22 0.00 -0.02 -0.04 1.41 1.13 3dlbB1 TYR 171 H -1.07 0.09 0.14 -0.55 8.29 6.89 3dlbB1 TYR 171 HA 0.13 0.27 0.77 -0.75 4.56 4.97 3dlbB1 TYR 171 HB2 0.02 -0.21 0.14 -0.04 3.06 2.97 3dlbB1 TYR 171 HB3 -0.00 0.07 0.05 -0.04 2.98 3.07 3dlbB1 TYR 171 HD2 0.03 -0.01 -0.08 -0.04 7.15 7.05 3dlbB1 TYR 171 HE2 0.03 0.03 0.02 -0.04 6.85 6.88 3dlbB1 ARG 172 H 0.22 0.08 0.02 -0.55 8.46 8.22 3dlbB1 ARG 172 HA 0.12 0.00 0.29 -0.75 4.34 4.00 3dlbB1 ILE 173 H 0.07 0.18 0.07 -0.55 8.25 8.03 3dlbB1 ILE 173 HA 0.04 -0.02 0.56 -0.75 4.18 4.00 3dlbB1 LEU 174 H 0.02 0.12 0.10 -0.55 8.37 8.06 3dlbB1 LEU 174 HA -0.08 0.17 0.77 -0.75 4.35 4.46 3dlbB1 LEU 174 HB2 -0.07 0.11 0.05 -0.04 1.64 1.69 3dlbB1 LEU 174 HB3 -0.05 -0.03 -0.05 -0.04 1.64 1.47 3dlbB1 LEU 174 HG -0.12 0.02 -0.07 -0.04 1.64 1.43 3dlbB1 LEU 174 HD13 -0.14 0.02 -0.15 -0.04 0.93 0.62 3dlbB1 LEU 174 HD23 -0.15 0.01 -0.06 -0.04 0.89 0.64 3dlbB1 CYS 175 H -0.12 0.26 0.11 -0.55 8.50 8.21 3dlbB1 CYS 175 HA -0.04 0.39 0.94 -0.75 4.58 5.11 3dlbB1 CYS 175 HB2 -0.40 0.03 -0.14 -0.04 2.97 2.41 3dlbB1 CYS 175 HB3 -0.25 0.09 0.12 -0.04 2.97 2.89 3dlbB1 GLU 176 H 0.05 0.64 0.24 -0.55 8.60 8.99 3dlbB1 GLU 176 HA -0.03 0.19 0.71 -0.75 4.29 4.41 3dlbB1 MET 177 H 0.11 -0.00 -0.29 -0.55 8.47 7.74 3dlbB1 MET 177 HA 0.13 0.18 0.64 -0.75 4.52 4.72 3dlbB1 SER 178 H 0.03 0.04 -0.08 -0.55 8.46 7.91 3dlbB1 SER 178 HA -0.01 0.19 0.46 -0.75 4.49 4.38 3dlbB1 SER 178 HB2 0.02 0.09 -0.08 -0.04 3.95 3.94 3dlbB1 SER 178 HB3 0.05 0.05 0.57 -0.04 3.93 4.57 3dlbB1 LEU 179 H -0.03 0.41 -0.02 -0.55 8.37 8.19 3dlbB1 LEU 179 HA 0.03 0.02 0.27 -0.75 4.35 3.91 3dlbB1 LEU 179 HB2 -0.05 0.02 -0.14 -0.04 1.64 1.43 3dlbB1 LEU 179 HB3 -0.02 0.02 0.15 -0.04 1.64 1.76 3dlbB1 LEU 179 HG -0.04 -0.04 -0.07 -0.04 1.64 1.45 3dlbB1 LEU 179 HD13 0.04 -0.00 -0.17 -0.04 0.93 0.76 3dlbB1 LEU 179 HD23 -0.07 0.00 -0.12 -0.04 0.89 0.66 3dlbB1 GLU 180 H 0.02 0.32 -0.21 -0.55 8.60 8.18 3dlbB1 GLU 180 HA 0.05 0.03 0.24 -0.75 4.29 3.86 3dlbB1 ALA 181 H 0.08 0.17 -0.30 -0.55 8.40 7.80 3dlbB1 ALA 181 HA 0.06 0.01 0.41 -0.75 4.34 4.07 3dlbB1 ALA 181 HB3 0.08 0.06 0.05 -0.04 1.41 1.56 3dlbB1 TRP 182 H 0.29 0.72 -0.12 -0.55 7.97 8.32 3dlbB1 TRP 182 HA 0.06 0.05 0.30 -0.75 4.62 4.27 3dlbB1 TRP 182 HB2 -0.01 -0.12 -0.08 -0.04 3.23 2.98 3dlbB1 TRP 182 HB3 -0.01 0.02 -0.09 -0.04 3.23 3.11 3dlbB1 TRP 182 HD1 -0.02 0.01 -0.51 -0.04 7.22 6.66 3dlbB1 TRP 182 HE1 -0.45 0.02 -0.15 -0.04 10.20 9.58 3dlbB1 TRP 182 HE3 0.01 -0.10 -0.01 -0.04 7.59 7.45 3dlbB1 TRP 182 HZ2 -0.32 0.02 -0.10 -0.04 7.44 7.00 3dlbB1 TRP 182 HZ3 0.19 -0.20 -0.05 -0.04 7.13 7.03 3dlbB1 TRP 182 HH2 0.50 -0.05 -0.14 -0.04 7.19 7.47 3dlbB1 LEU 183 H 0.26 1.02 -0.17 -0.55 8.37 8.93 3dlbB1 LEU 183 HA 0.26 0.00 0.43 -0.75 4.35 4.28 3dlbB1 LEU 183 HB2 0.16 -0.09 -0.05 -0.04 1.64 1.62 3dlbB1 LEU 183 HB3 0.11 0.05 -0.05 -0.04 1.64 1.71 3dlbB1 LEU 183 HG 0.08 -0.11 -0.03 -0.04 1.64 1.54 3dlbB1 LEU 183 HD13 0.06 -0.01 -0.09 -0.04 0.93 0.85 3dlbB1 LEU 183 HD23 0.12 -0.03 0.14 -0.04 0.89 1.07 3dlbB1 ALA 184 H 0.12 0.09 -1.02 -0.55 8.40 7.04 3dlbB1 ALA 184 HA 0.04 0.02 0.64 -0.75 4.34 4.29 3dlbB1 ALA 184 HB3 0.04 0.03 0.21 -0.04 1.41 1.66 3dlbB1 GLN 185 H 0.00 0.42 0.10 -0.55 8.47 8.44 3dlbB1 GLN 185 HA -0.03 0.03 0.66 -0.75 4.36 4.27 3dlbB1 GLY 186 H 0.01 -0.01 -1.91 -0.55 8.43 5.98 3dlbB1 GLY 186 HA2 0.04 0.20 0.21 -0.51 4.01 3.95 3dlbB1 GLY 186 HA3 -0.04 -0.09 0.12 -0.51 4.01 3.49 3dlbB1 HIS 187 H 0.16 0.28 0.19 -0.55 8.41 8.51 3dlbB1 HIS 187 HA 0.02 0.12 0.58 -0.75 4.63 4.59 3dlbB1 HIS 187 HB2 0.32 -0.06 -0.20 -0.04 3.26 3.28 3dlbB1 HIS 187 HB3 0.28 0.04 -0.02 -0.04 3.20 3.46 3dlbB1 HIS 187 HD2 0.09 -0.05 -0.01 -0.04 6.97 6.96 3dlbB1 HIS 187 HE1 -0.66 -0.02 -0.06 -0.04 7.75 6.96 3dlbB1 PRO 188 HA 0.09 0.06 0.62 -0.51 4.44 4.70 3dlbB1 LEU 189 H 0.09 0.07 0.15 -0.55 8.37 8.14 3dlbB1 LEU 189 HA 0.09 -0.00 0.28 -0.75 4.35 3.97 3dlbB1 PRO 190 HA 0.02 0.16 0.54 -0.51 4.44 4.64 3dlbB1 PRO 190 HB2 -0.03 -0.06 0.17 -0.04 2.28 2.32 3dlbB1 PRO 190 HB3 -0.05 0.08 0.15 -0.04 2.02 2.15 3dlbB1 PRO 190 HG2 -0.02 0.00 -0.17 -0.04 2.03 1.80 3dlbB1 PRO 190 HG3 -0.09 -0.09 0.07 -0.04 2.03 1.88 3dlbB1 PRO 190 HD2 0.02 0.01 0.12 -0.04 3.68 3.78 3dlbB1 PRO 190 HD3 0.02 0.19 0.07 -0.04 3.65 3.89 3dlbB1 LYS 191 H 0.00 0.07 0.20 -0.55 8.42 8.14 3dlbB1 LYS 191 HA 0.03 0.27 0.74 -0.75 4.32 4.61 3dlbB1 ARG 192 H 0.00 0.07 0.19 -0.55 8.46 8.16 3dlbB1 ARG 192 HA 0.05 0.11 1.21 -0.75 4.34 4.96 3dlbB1 VAL 193 H 0.09 0.55 0.21 -0.55 8.24 8.54 3dlbB1 VAL 193 HA -0.03 0.12 0.87 -0.75 4.13 4.35 3dlbB1 VAL 193 HB -0.01 -0.03 -0.19 -0.04 2.12 1.84 3dlbB1 VAL 193 HG13 0.07 -0.02 -0.34 -0.04 0.97 0.64 3dlbB1 VAL 193 HG23 -0.07 0.04 -0.07 -0.04 0.95 0.81 3dlbB1 ARG 194 H -0.03 0.48 0.35 -0.55 8.46 8.71 3dlbB1 ARG 194 HA 0.13 0.08 0.87 -0.75 4.34 4.66 3dlbB1 ARG 194 HB2 -0.04 -0.02 -0.12 -0.04 1.90 1.68 3dlbB1 ARG 194 HB3 -0.06 0.14 0.01 -0.04 1.80 1.85 3dlbB1 ARG 194 HG2 -0.05 -0.00 -0.18 -0.04 1.67 1.40 3dlbB1 ARG 194 HG3 -0.05 -0.06 -0.10 -0.04 1.67 1.42 3dlbB1 ARG 194 HD2 -0.08 0.11 -0.05 -0.04 3.22 3.17 3dlbB1 ARG 194 HD3 -0.06 0.01 -0.07 -0.04 3.22 3.06 3dlbB1 ASN 195 H 0.02 0.27 0.10 -0.55 8.53 8.37 3dlbB1 ASN 195 HA -0.14 0.19 0.80 -0.75 4.76 4.86 3dlbB1 ASN 195 HB2 -0.39 -0.06 0.07 -0.04 2.88 2.46 3dlbB1 ASN 195 HB3 -0.82 -0.14 0.28 -0.04 2.79 2.07 3dlbB1 ASN 195 HD21 1.29 0.00 -0.05 -0.04 7.03 8.23 3dlbB1 ASN 195 HD22 0.15 -0.09 0.01 -0.04 7.74 7.77 3dlbB1 ALA 196 H -0.33 0.05 0.23 -0.55 8.40 7.80 3dlbB1 ALA 196 HA -0.08 0.27 0.88 -0.75 4.34 4.65 3dlbB1 ALA 196 HB3 0.03 0.01 -0.05 -0.04 1.41 1.36 3dlbB1 TYR 197 H -0.56 -0.07 0.18 -0.55 8.29 7.29 3dlbB1 TYR 197 HA 0.03 0.22 0.64 -0.75 4.56 4.69 3dlbB1 TYR 197 HB2 0.06 0.04 0.07 -0.04 3.06 3.19 3dlbB1 TYR 197 HB3 0.05 0.03 0.11 -0.04 2.98 3.13 3dlbB1 TYR 197 HD2 0.09 0.04 0.03 -0.04 7.15 7.28 3dlbB1 TYR 197 HE2 0.22 0.05 0.07 -0.04 6.85 7.16 3dlbB1 ASP 198 H -0.26 0.02 -0.27 -0.55 8.40 7.35 3dlbB1 ASP 198 HA 0.00 0.24 0.41 -0.75 4.63 4.53 3dlbB1 ASP 198 HB2 0.02 -0.36 0.25 -0.04 2.71 2.58 3dlbB1 ASP 198 HB3 0.09 0.21 0.08 -0.04 2.70 3.04 3dlbB1 ARG 199 H -0.02 0.11 0.12 -0.55 8.46 8.12 3dlbB1 ARG 199 HA -0.06 0.31 0.92 -0.75 4.34 4.75 3dlbB1 ARG 199 HB2 -0.02 -0.01 0.05 -0.04 1.90 1.87 3dlbB1 ARG 199 HB3 -0.03 0.02 0.12 -0.04 1.80 1.87 3dlbB1 ARG 199 HG2 -0.00 -0.06 -0.18 -0.04 1.67 1.39 3dlbB1 ARG 199 HG3 0.02 0.02 -0.03 -0.04 1.67 1.64 3dlbB1 ARG 199 HD2 -0.06 0.14 -0.16 -0.04 3.22 3.10 3dlbB1 ARG 199 HD3 -0.04 0.04 -0.11 -0.04 3.22 3.06 3dlbB1 ARG 200 H -0.08 -0.02 -0.02 -0.55 8.46 7.79 3dlbB1 ARG 200 HA -0.19 0.08 0.56 -0.75 4.34 4.03 3dlbB1 ARG 200 HB2 -0.50 0.05 -0.05 -0.04 1.90 1.36 3dlbB1 ARG 200 HB3 -0.24 0.04 0.09 -0.04 1.80 1.64 3dlbB1 ARG 200 HG2 0.01 0.05 0.03 -0.04 1.67 1.71 3dlbB1 ARG 200 HG3 -0.04 -0.08 0.11 -0.04 1.67 1.61 3dlbB1 ARG 200 HD2 0.15 0.05 0.00 -0.04 3.22 3.38 3dlbB1 ARG 200 HD3 -0.05 -0.02 -0.03 -0.04 3.22 3.08 3dlbB1 THR 201 H -0.24 0.13 0.26 -0.55 8.28 7.88 3dlbB1 THR 201 HA -0.09 0.12 1.06 -0.75 4.39 4.73 3dlbB1 THR 201 HB -0.07 0.02 0.06 -0.04 4.32 4.29 3dlbB1 THR 201 HG23 -0.10 -0.03 0.08 -0.04 1.22 1.13 3dlbB1 TRP 202 H 0.24 0.74 0.34 -0.55 7.97 8.74 3dlbB1 TRP 202 HA 0.02 0.19 0.98 -0.75 4.62 5.05 3dlbB1 TRP 202 HB2 0.02 -0.11 -0.18 -0.04 3.23 2.91 3dlbB1 TRP 202 HB3 0.05 0.20 0.08 -0.04 3.23 3.52 3dlbB1 TRP 202 HD1 -0.02 -0.02 -0.23 -0.04 7.22 6.90 3dlbB1 TRP 202 HE1 0.16 -0.04 -0.12 -0.04 10.20 10.15 3dlbB1 TRP 202 HE3 0.06 0.06 -0.39 -0.04 7.59 7.29 3dlbB1 TRP 202 HZ2 0.18 -0.04 -0.08 -0.04 7.44 7.47 3dlbB1 TRP 202 HZ3 0.05 -0.01 -0.11 -0.04 7.13 7.02 3dlbB1 TRP 202 HH2 0.06 -0.02 -0.07 -0.04 7.19 7.12 3dlbB1 GLU 203 H 0.29 0.72 0.28 -0.55 8.60 9.34 3dlbB1 GLU 203 HA 0.10 0.08 1.05 -0.75 4.29 4.76 3dlbB1 LEU 204 H 0.06 0.37 0.06 -0.55 8.37 8.32 3dlbB1 LEU 204 HA 0.05 -0.07 0.50 -0.75 4.35 4.08 3dlbB1 LEU 204 HB2 0.03 -0.14 -0.22 -0.04 1.64 1.26 3dlbB1 LEU 204 HB3 0.04 0.28 -0.08 -0.04 1.64 1.84 3dlbB1 LEU 204 HG 0.02 -0.04 -0.17 -0.04 1.64 1.42 3dlbB1 LEU 204 HD13 0.06 0.01 -0.29 -0.04 0.93 0.66 3dlbB1 LEU 204 HD23 0.00 -0.03 -0.16 -0.04 0.89 0.66 3dlbB1 LEU 205 H 0.09 0.34 0.41 -0.55 8.37 8.66 3dlbB1 LEU 205 HA 0.06 0.15 0.73 -0.75 4.35 4.53 3dlbB1 ARG 206 H 0.12 0.41 0.26 -0.55 8.46 8.70 3dlbB1 ARG 206 HA 0.07 0.08 0.21 -0.75 4.34 3.94 3dlbB1 ARG 206 HB2 0.03 -0.04 0.27 -0.04 1.90 2.12 3dlbB1 ARG 206 HB3 0.03 0.42 0.02 -0.04 1.80 2.23 3dlbB1 ARG 206 HG2 0.10 -0.12 -0.31 -0.04 1.67 1.30 3dlbB1 ARG 206 HG3 0.07 0.00 -0.00 -0.04 1.67 1.69 3dlbB1 ARG 206 HD2 -0.05 -0.00 0.01 -0.04 3.22 3.13 3dlbB1 ARG 206 HD3 -0.08 0.08 -0.09 -0.04 3.22 3.09 3dlbB1 LEU 207 H 0.10 0.22 0.16 -0.55 8.37 8.30 3dlbB1 LEU 207 HA 0.16 0.09 1.54 -0.75 4.35 5.38 3dlbB1 LEU 207 HB2 0.07 0.02 -0.17 -0.04 1.64 1.52 3dlbB1 LEU 207 HB3 0.08 0.03 0.08 -0.04 1.64 1.78 3dlbB1 LEU 207 HG 0.06 0.03 0.21 -0.04 1.64 1.90 3dlbB1 LEU 207 HD13 0.05 -0.01 -0.04 -0.04 0.93 0.88 3dlbB1 LEU 207 HD23 0.07 -0.01 -0.42 -0.04 0.89 0.50 3dlbB1 GLY 208 H 0.11 0.21 0.26 -0.55 8.43 8.45 3dlbB1 GLY 208 HA2 0.45 -0.05 0.23 -0.51 4.01 4.14 3dlbB1 GLY 208 HA3 0.03 -0.08 0.03 -0.51 4.01 3.48 3dlbB1 GLU 209 H 0.30 0.16 0.22 -0.55 8.60 8.74 3dlbB1 GLU 209 HA 0.09 0.15 0.56 -0.75 4.29 4.33 3dlbB1 GLU 209 HB2 0.07 -0.01 0.20 -0.04 2.09 2.31 3dlbB1 GLU 209 HB3 0.08 0.05 0.14 -0.04 1.99 2.22 3dlbB1 GLU 209 HG2 0.14 -0.02 0.10 -0.04 2.34 2.52 3dlbB1 GLU 209 HG3 0.12 -0.02 -0.11 -0.04 2.34 2.29 3dlbB1 GLU 210 H 0.16 -0.04 -0.57 -0.55 8.60 7.60 3dlbB1 GLU 210 HA 0.08 0.28 0.95 -0.75 4.29 4.85 3dlbB1 GLU 210 HB2 0.14 -0.04 -0.08 -0.04 2.09 2.07 3dlbB1 GLU 210 HB3 0.09 -0.08 0.09 -0.04 1.99 2.05 3dlbB1 GLU 210 HG2 0.17 0.05 -0.05 -0.04 2.34 2.47 3dlbB1 GLU 210 HG3 0.16 0.08 -0.39 -0.04 2.34 2.14 3dlbB1 ASP 211 H 0.04 0.16 0.11 -0.55 8.40 8.15 3dlbB1 ASP 211 HA 0.01 0.31 0.80 -0.75 4.63 4.99 3dlbB1 ASP 211 HB2 0.02 0.10 0.06 -0.04 2.71 2.85 3dlbB1 ASP 211 HB3 0.02 -0.07 0.18 -0.04 2.70 2.78 3dlbB1 PRO 212 HA -0.05 0.03 0.51 -0.51 4.44 4.42 3dlbB1 PRO 212 HB2 -0.02 0.03 0.13 -0.04 2.28 2.38 3dlbB1 PRO 212 HB3 -0.06 0.01 0.02 -0.04 2.02 1.95 3dlbB1 PRO 212 HG2 -0.01 0.03 0.10 -0.04 2.03 2.10 3dlbB1 PRO 212 HG3 -0.02 0.26 0.10 -0.04 2.03 2.33 3dlbB1 PRO 212 HD2 -0.00 0.10 0.23 -0.04 3.68 3.97 3dlbB1 PRO 212 HD3 -0.01 0.34 0.28 -0.04 3.65 4.22 3dlbB1 LYS 213 H -0.01 -0.15 0.23 -0.55 8.42 7.94 3dlbB1 LYS 213 HA 0.00 -0.11 0.36 -0.75 4.32 3.82 3dlbB1 LYS 213 HB2 0.00 -0.01 0.16 -0.04 1.87 1.98 3dlbB1 LYS 213 HB3 0.00 0.28 -0.02 -0.04 1.79 2.02 3dlbB1 LYS 213 HG2 0.00 -0.08 -0.30 -0.04 1.46 1.05 3dlbB1 LYS 213 HG3 0.00 0.04 -0.36 -0.04 1.46 1.10 3dlbB1 LYS 213 HD2 0.00 -0.00 -0.04 -0.04 1.69 1.61 3dlbB1 LYS 213 HD3 0.00 0.05 -0.08 -0.04 1.68 1.61 3dlbB1 LYS 213 HE2 0.01 -0.01 -0.08 -0.04 2.99 2.86 3dlbB1 LYS 213 HE3 0.00 -0.00 -0.07 -0.04 2.99 2.88 3dlbB1 GLU 214 H -0.00 0.04 0.26 -0.55 8.60 8.35 3dlbB1 GLU 214 HA 0.00 0.22 0.80 -0.75 4.29 4.56 3dlbB1 LEU 215 H -0.01 -0.21 0.33 -0.55 8.37 7.94 3dlbB1 LEU 215 HA 0.02 0.23 0.69 -0.75 4.35 4.53 3dlbB1 LEU 215 HB2 -0.02 0.05 0.06 -0.04 1.64 1.68 3dlbB1 LEU 215 HB3 -0.07 -0.19 0.18 -0.04 1.64 1.51 3dlbB1 LEU 215 HG -0.08 0.07 -0.23 -0.04 1.64 1.36 3dlbB1 LEU 215 HD13 0.11 0.04 0.03 -0.04 0.93 1.07 3dlbB1 LEU 215 HD23 -0.26 -0.02 -0.10 -0.04 0.89 0.47 3dlbB1 PRO 216 HA -0.03 0.10 0.65 -0.51 4.44 4.65 3dlbB1 PRO 216 HB2 -0.01 0.08 -0.17 -0.04 2.28 2.14 3dlbB1 PRO 216 HB3 -0.00 0.02 -0.17 -0.04 2.02 1.83 3dlbB1 PRO 216 HG2 0.01 0.03 0.06 -0.04 2.03 2.09 3dlbB1 PRO 216 HG3 0.01 0.03 0.05 -0.04 2.03 2.08 3dlbB1 PRO 216 HD2 0.03 0.02 0.25 -0.04 3.68 3.94 3dlbB1 PRO 216 HD3 0.01 0.52 0.36 -0.04 3.65 4.51 3dlbB1 LEU 217 H -0.05 1.06 0.20 -0.55 8.37 9.03 3dlbB1 LEU 217 HA -0.08 0.13 0.47 -0.75 4.35 4.13 3dlbB1 LEU 217 HB2 -0.11 -0.02 0.04 -0.04 1.64 1.51 3dlbB1 LEU 217 HB3 -0.13 -0.03 0.10 -0.04 1.64 1.54 3dlbB1 LEU 217 HG -0.41 -0.00 -0.03 -0.04 1.64 1.16 3dlbB1 LEU 217 HD13 -0.21 0.02 -0.02 -0.04 0.93 0.68 3dlbB1 LEU 217 HD23 -0.20 -0.01 -0.23 -0.04 0.89 0.41 3dlbB1 PRO 218 HA -0.00 0.12 0.36 -0.51 4.44 4.41 3dlbB1 PRO 218 HB2 -0.02 -0.06 0.11 -0.04 2.28 2.26 3dlbB1 PRO 218 HB3 -0.00 0.06 0.05 -0.04 2.02 2.09 3dlbB1 PRO 218 HG2 -0.02 0.05 0.08 -0.04 2.03 2.11 3dlbB1 PRO 218 HG3 -0.00 0.08 0.09 -0.04 2.03 2.16 3dlbB1 PRO 218 HD2 -0.08 0.07 0.19 -0.04 3.68 3.81 3dlbB1 PRO 218 HD3 -0.05 0.17 0.20 -0.04 3.65 3.92 3dlbB1 GLY 219 H -0.03 0.08 -0.12 -0.55 8.43 7.81 3dlbB1 GLY 219 HA2 -0.00 0.08 0.36 -0.51 4.01 3.93 3dlbB1 GLY 219 HA3 -0.01 -0.04 0.28 -0.51 4.01 3.73 3dlbB1 GLY 220 H -0.02 0.12 -0.54 -0.55 8.43 7.45 3dlbB1 GLY 220 HA2 -0.00 0.11 0.18 -0.51 4.01 3.79 3dlbB1 GLY 220 HA3 -0.00 0.15 0.76 -0.51 4.01 4.41 3dlbB1 LEU 221 H -0.01 -0.07 -0.10 -0.55 8.37 7.64 3dlbB1 LEU 221 HA 0.00 0.10 0.40 -0.75 4.35 4.10 3dlbB1 LEU 221 HB2 0.01 0.03 0.01 -0.04 1.64 1.64 3dlbB1 LEU 221 HB3 -0.00 -0.05 -0.02 -0.04 1.64 1.52 3dlbB1 LEU 221 HG 0.04 0.00 -0.11 -0.04 1.64 1.53 3dlbB1 LEU 221 HD13 0.01 0.01 -0.04 -0.04 0.93 0.87 3dlbB1 LEU 221 HD23 0.09 0.02 -0.09 -0.04 0.89 0.87 3dlbB1 SER 222 H 0.00 0.12 0.13 -0.55 8.46 8.16 3dlbB1 SER 222 HA -0.02 0.29 0.44 -0.75 4.49 4.45 3dlbB1 SER 222 HB2 -0.00 -0.12 -0.08 -0.04 3.95 3.70 3dlbB1 SER 222 HB3 0.00 0.21 -0.00 -0.04 3.93 4.10 3dlbB1 LEU 223 H -0.04 0.76 0.25 -0.55 8.37 8.79 3dlbB1 LEU 223 HA -0.07 0.08 0.29 -0.75 4.35 3.89 3dlbB1 LEU 223 HB2 -0.12 0.11 0.05 -0.04 1.64 1.64 3dlbB1 LEU 223 HB3 -0.06 -0.11 0.01 -0.04 1.64 1.44 3dlbB1 LEU 223 HG -0.19 -0.01 -0.13 -0.04 1.64 1.27 3dlbB1 LEU 223 HD13 0.07 -0.02 -0.35 -0.04 0.93 0.59 3dlbB1 LEU 223 HD23 -0.16 0.02 -0.14 -0.04 0.89 0.58 3dlbB1 LEU 224 H 0.02 0.02 -0.40 -0.55 8.37 7.46 3dlbB1 LEU 224 HA 0.10 0.13 0.44 -0.75 4.35 4.26 3dlbB1 ASP 225 H 0.03 0.04 -0.17 -0.55 8.40 7.76 3dlbB1 ASP 225 HA 0.01 0.04 0.38 -0.75 4.63 4.31 3dlbB1 ASP 225 HB2 0.02 -0.09 0.14 -0.04 2.71 2.74 3dlbB1 ASP 225 HB3 0.01 0.06 -0.06 -0.04 2.70 2.67 3dlbB1 TYR 226 H 0.10 0.55 -0.35 -0.55 8.29 8.04 3dlbB1 TYR 226 HA -0.11 0.01 0.26 -0.75 4.56 3.97 3dlbB1 TYR 226 HB2 -0.15 -0.04 -0.04 -0.04 3.06 2.79 3dlbB1 TYR 226 HB3 -0.25 0.18 0.04 -0.04 2.98 2.90 3dlbB1 TYR 226 HD2 -0.72 -0.01 -0.08 -0.04 7.15 6.31 3dlbB1 TYR 226 HE2 -0.28 -0.01 -0.06 -0.04 6.85 6.46 3dlbB1 HIS 227 H 0.08 0.31 -0.22 -0.55 8.41 8.03 3dlbB1 HIS 227 HA -0.35 0.09 0.46 -0.75 4.63 4.07 3dlbB1 HIS 227 HB2 -0.03 0.09 0.06 -0.04 3.26 3.35 3dlbB1 HIS 227 HB3 -0.10 -0.05 -0.08 -0.04 3.20 2.93 3dlbB1 HIS 227 HD2 -0.32 -0.02 -0.00 -0.04 6.97 6.59 3dlbB1 HIS 227 HE1 -0.13 -0.03 -0.05 -0.04 7.75 7.50 3dlbB1 ALA 228 H 0.04 0.70 -0.03 -0.55 8.40 8.56 3dlbB1 ALA 228 HA -0.01 -0.09 0.41 -0.75 4.34 3.89 3dlbB1 ALA 228 HB3 0.00 0.00 0.07 -0.04 1.41 1.44 3dlbB1 SER 229 H -0.06 0.66 -0.17 -0.55 8.46 8.34 3dlbB1 SER 229 HA -0.04 0.05 0.40 -0.75 4.49 4.14 3dlbB1 SER 229 HB2 -0.07 0.13 0.06 -0.04 3.95 4.02 3dlbB1 SER 229 HB3 -0.05 -0.03 0.17 -0.04 3.93 3.98 3dlbB1 LYS 230 H -0.09 0.22 -0.77 -0.55 8.42 7.22 3dlbB1 LYS 230 HA -0.09 0.22 0.96 -0.75 4.32 4.65 3dlbB1 LYS 230 HB2 -0.20 0.05 0.11 -0.04 1.87 1.79 3dlbB1 LYS 230 HB3 -0.16 -0.03 0.09 -0.04 1.79 1.65 3dlbB1 LYS 230 HG2 -0.20 0.03 -0.06 -0.04 1.46 1.20 3dlbB1 LYS 230 HG3 -0.34 0.23 -0.12 -0.04 1.46 1.19 3dlbB1 LYS 230 HD2 -0.52 -0.04 -0.03 -0.04 1.69 1.06 3dlbB1 LYS 230 HD3 -0.24 -0.03 0.00 -0.04 1.68 1.37 3dlbB1 LYS 230 HE2 -0.22 0.01 -0.03 -0.04 2.99 2.70 3dlbB1 LYS 230 HE3 -0.69 0.04 -0.05 -0.04 2.99 2.24 3dlbB1 GLY 231 H -0.05 0.28 0.14 -0.55 8.43 8.25 3dlbB1 GLY 231 HA2 -0.02 0.02 0.34 -0.51 4.01 3.84 3dlbB1 GLY 231 HA3 -0.02 0.25 0.86 -0.51 4.01 4.59 3dlbB1 ARG 232 H -0.07 0.22 -0.01 -0.55 8.46 8.05 3dlbB1 ARG 232 HA -0.00 0.16 0.49 -0.75 4.34 4.24 3dlbB1 ARG 232 HB2 -0.14 0.06 0.11 -0.04 1.90 1.89 3dlbB1 ARG 232 HB3 -0.07 -0.02 -0.02 -0.04 1.80 1.65 3dlbB1 ARG 232 HG2 -0.09 0.06 0.02 -0.04 1.67 1.61 3dlbB1 ARG 232 HG3 -0.53 -0.05 0.06 -0.04 1.67 1.11 3dlbB1 ARG 232 HD2 0.40 -0.10 0.04 -0.04 3.22 3.52 3dlbB1 ARG 232 HD3 0.12 0.00 0.13 -0.04 3.22 3.44 3dlbB1 LEU 233 H -0.02 0.10 -0.43 -0.55 8.37 7.48 3dlbB1 LEU 233 HA -0.00 0.23 0.75 -0.75 4.35 4.57 3dlbB1 LEU 233 HB2 0.00 -0.01 -0.17 -0.04 1.64 1.43 3dlbB1 LEU 233 HB3 -0.00 0.02 0.14 -0.04 1.64 1.76 3dlbB1 LEU 233 HG 0.01 -0.01 0.02 -0.04 1.64 1.61 3dlbB1 LEU 233 HD13 0.00 -0.04 0.06 -0.04 0.93 0.91 3dlbB1 LEU 233 HD23 -0.01 0.04 -0.09 -0.04 0.89 0.79 3dlbB1 GLN 234 H 0.00 0.37 -0.34 -0.55 8.47 7.96 3dlbB1 GLN 234 HA -0.00 0.10 0.62 -0.75 4.36 4.33 3dlbB1 GLN 234 HB2 0.00 -0.02 0.11 -0.04 2.15 2.21 3dlbB1 GLN 234 HB3 0.00 0.20 0.16 -0.04 2.02 2.34 3dlbB1 GLN 234 HG2 0.01 -0.02 0.17 -0.04 2.40 2.52 3dlbB1 GLN 234 HG3 0.01 0.01 0.09 -0.04 2.39 2.46 3dlbB1 GLN 234 HE21 0.02 0.01 -0.01 -0.04 6.97 6.95 3dlbB1 GLN 234 HE22 0.02 -0.01 0.03 -0.04 7.69 7.69 3dlbB1 GLY 235 H 0.00 0.62 -0.06 -0.55 8.43 8.44 3dlbB1 GLY 235 HA2 0.00 -0.02 0.31 -0.51 4.01 3.79 3dlbB1 GLY 235 HA3 0.00 0.10 0.42 -0.51 4.01 4.02 3dlbB1 ARG 236 H 0.00 0.07 -0.43 -0.55 8.46 7.56 3dlbB1 ARG 236 HA 0.01 0.17 0.60 -0.75 4.34 4.37 3dlbB1 ARG 236 HB2 0.01 -0.01 -0.16 -0.04 1.90 1.70 3dlbB1 ARG 236 HB3 0.01 0.09 0.06 -0.04 1.80 1.92 3dlbB1 ARG 236 HG2 0.02 0.06 0.15 -0.04 1.67 1.86 3dlbB1 ARG 236 HG3 0.01 -0.03 0.13 -0.04 1.67 1.74 3dlbB1 ARG 236 HD2 0.02 0.01 -0.02 -0.04 3.22 3.19 3dlbB1 ARG 236 HD3 0.04 0.02 0.02 -0.04 3.22 3.25 3dlbB1 GLU 237 H 0.00 0.06 -0.62 -0.55 8.60 7.50 3dlbB1 GLU 237 HA -0.00 -0.02 -0.02 -0.75 4.29 3.50 3dlbB1 GLU 237 HB2 0.00 -0.02 0.02 -0.04 2.09 2.05 3dlbB1 GLU 237 HB3 0.00 0.02 -0.06 -0.04 1.99 1.92 3dlbB1 GLU 237 HG2 0.00 -0.04 -0.31 -0.04 2.34 1.95 3dlbB1 GLU 237 HG3 -0.00 0.01 -0.21 -0.04 2.34 2.10 3dlbB1 GLY 238 H 0.00 0.16 0.04 -0.55 8.43 8.09 3dlbB1 GLY 238 HA2 0.00 -0.14 0.46 -0.51 4.01 3.82 3dlbB1 GLY 238 HA3 -0.00 0.13 0.57 -0.51 4.01 4.20 3dlbB1 GLY 239 H -0.00 -0.03 0.15 -0.55 8.43 8.00 3dlbB1 GLY 239 HA2 -0.02 0.15 0.84 -0.51 4.01 4.47 3dlbB1 GLY 239 HA3 -0.01 0.07 0.45 -0.51 4.01 4.01 3dlbB1 ARG 240 H -0.01 -0.06 0.13 -0.55 8.46 7.96 3dlbB1 ARG 240 HA -0.00 0.24 0.85 -0.75 4.34 4.68 3dlbB1 ARG 240 HB2 0.01 0.03 0.09 -0.04 1.90 1.99 3dlbB1 ARG 240 HB3 0.00 -0.15 0.08 -0.04 1.80 1.68 3dlbB1 ARG 240 HG2 0.01 0.14 -0.01 -0.04 1.67 1.77 3dlbB1 ARG 240 HG3 0.01 0.06 0.14 -0.04 1.67 1.84 3dlbB1 ARG 240 HD2 0.02 0.02 0.00 -0.04 3.22 3.22 3dlbB1 ARG 240 HD3 0.03 -0.07 -0.04 -0.04 3.22 3.10 3dlbB1 VAL 241 H -0.02 0.29 0.25 -0.55 8.24 8.21 3dlbB1 VAL 241 HA -0.10 0.19 0.85 -0.75 4.13 4.32 3dlbB1 VAL 241 HB -0.11 -0.18 -0.01 -0.04 2.12 1.78 3dlbB1 VAL 241 HG13 -0.20 0.01 -0.03 -0.04 0.97 0.70 3dlbB1 VAL 241 HG23 -0.02 0.10 0.12 -0.04 0.95 1.11 3dlbB1 ALA 242 H -0.17 0.61 0.20 -0.55 8.40 8.50 3dlbB1 ALA 242 HA 0.01 -0.22 0.98 -0.75 4.34 4.36 3dlbB1 ALA 242 HB3 -0.05 0.03 -0.15 -0.04 1.41 1.20 3dlbB1 TRP 243 H 0.26 0.27 0.08 -0.55 7.97 8.05 3dlbB1 TRP 243 HA -0.04 0.06 0.69 -0.75 4.62 4.58 3dlbB1 TRP 243 HB2 -0.01 -0.02 -0.05 -0.04 3.23 3.11 3dlbB1 TRP 243 HB3 -0.02 0.14 -0.13 -0.04 3.23 3.18 3dlbB1 TRP 243 HD1 -0.01 -0.03 -0.46 -0.04 7.22 6.68 3dlbB1 TRP 243 HE1 -0.01 -0.13 -0.09 -0.04 10.20 9.94 3dlbB1 TRP 243 HE3 -0.03 0.11 -0.31 -0.04 7.59 7.32 3dlbB1 TRP 243 HZ2 -0.01 -0.04 -0.08 -0.04 7.44 7.27 3dlbB1 TRP 243 HZ3 -0.03 0.12 -0.11 -0.04 7.13 7.07 3dlbB1 TRP 243 HH2 -0.02 0.04 -0.06 -0.04 7.19 7.11 3dlbB1 VAL 244 H -0.03 0.42 0.29 -0.55 8.24 8.37 3dlbB1 VAL 244 HA 0.06 0.03 1.03 -0.75 4.13 4.49 3dlbB1 VAL 244 HB -0.10 0.01 0.00 -0.04 2.12 1.99 3dlbB1 VAL 244 HG13 -0.15 -0.03 -0.30 -0.04 0.97 0.45 3dlbB1 VAL 244 HG23 -0.42 -0.02 -0.17 -0.04 0.95 0.29 3dlbB1 ALA 245 H 0.16 0.50 0.33 -0.55 8.40 8.84 3dlbB1 ALA 245 HA 0.16 0.03 0.82 -0.75 4.34 4.60 3dlbB1 ALA 245 HB3 0.11 0.05 0.01 -0.04 1.41 1.54 3dlbB1 ASP 246 H 0.23 0.26 0.13 -0.55 8.40 8.47 3dlbB1 ASP 246 HA 0.37 0.08 0.59 -0.75 4.63 4.92 3dlbB1 ASP 246 HB2 0.30 -0.06 0.10 -0.04 2.71 3.02 3dlbB1 ASP 246 HB3 0.12 0.28 0.14 -0.04 2.70 3.21 3dlbB1 PRO 247 HA 0.02 0.05 0.36 -0.51 4.44 4.37 3dlbB1 PRO 247 HB2 -0.04 -0.01 -0.01 -0.04 2.28 2.18 3dlbB1 PRO 247 HB3 -0.03 0.04 0.08 -0.04 2.02 2.07 3dlbB1 PRO 247 HG2 -0.09 -0.08 0.11 -0.04 2.03 1.93 3dlbB1 PRO 247 HG3 -0.14 0.10 0.13 -0.04 2.03 2.08 3dlbB1 PRO 247 HD2 -0.13 0.03 0.31 -0.04 3.68 3.86 3dlbB1 PRO 247 HD3 -0.05 0.24 0.36 -0.04 3.65 4.16 3dlbB1 LYS 248 H -0.02 0.05 -0.32 -0.55 8.42 7.58 3dlbB1 LYS 248 HA -0.06 0.06 0.66 -0.75 4.32 4.22 3dlbB1 ASP 249 H -0.11 0.03 0.12 -0.55 8.40 7.89 3dlbB1 ASP 249 HA -0.10 -0.06 0.38 -0.75 4.63 4.10 3dlbB1 PRO 250 HA 0.04 0.32 0.42 -0.51 4.44 4.72 3dlbB1 PRO 250 HB2 0.03 -0.11 -0.05 -0.04 2.28 2.11 3dlbB1 PRO 250 HB3 0.04 0.07 0.02 -0.04 2.02 2.11 3dlbB1 PRO 250 HG2 0.02 -0.03 -0.02 -0.04 2.03 1.96 3dlbB1 PRO 250 HG3 0.03 0.31 -0.19 -0.04 2.03 2.13 3dlbB1 PRO 250 HD2 -0.01 -0.06 0.12 -0.04 3.68 3.69 3dlbB1 PRO 250 HD3 -0.03 0.03 -0.11 -0.04 3.65 3.50 3dlbB1 ARG 251 H 0.01 -0.04 -0.17 -0.55 8.46 7.71 3dlbB1 ARG 251 HA 0.02 0.23 0.90 -0.75 4.34 4.73 3dlbB1 ARG 251 HB2 0.01 -0.08 0.06 -0.04 1.90 1.85 3dlbB1 ARG 251 HB3 0.00 -0.08 0.08 -0.04 1.80 1.77 3dlbB1 ARG 251 HG2 -0.01 -0.04 -0.08 -0.04 1.67 1.50 3dlbB1 ARG 251 HG3 -0.00 0.08 -0.21 -0.04 1.67 1.50 3dlbB1 ARG 251 HD2 -0.03 0.01 -0.01 -0.04 3.22 3.15 3dlbB1 ARG 251 HD3 -0.00 0.04 0.02 -0.04 3.22 3.23 3dlbB1 LYS 252 H 0.01 -0.06 -0.01 -0.55 8.42 7.81 3dlbB1 LYS 252 HA 0.03 0.00 0.34 -0.75 4.32 3.95 3dlbB1 PRO 253 HA 0.12 0.11 0.91 -0.51 4.44 5.07 3dlbB1 PRO 253 HB2 0.19 -0.08 -0.04 -0.04 2.28 2.31 3dlbB1 PRO 253 HB3 0.06 0.12 0.09 -0.04 2.02 2.24 3dlbB1 PRO 253 HG2 0.08 -0.08 0.08 -0.04 2.03 2.07 3dlbB1 PRO 253 HG3 -0.05 -0.05 0.03 -0.04 2.03 1.92 3dlbB1 PRO 253 HD2 0.04 -0.07 0.20 -0.04 3.68 3.80 3dlbB1 PRO 253 HD3 0.01 0.09 -0.18 -0.04 3.65 3.54 3dlbB1 ILE 254 H 0.11 0.71 0.38 -0.55 8.25 8.90 3dlbB1 ILE 254 HA 0.09 0.19 1.01 -0.75 4.18 4.72 3dlbB1 ILE 254 HB -0.11 0.03 0.00 -0.04 1.89 1.78 3dlbB1 ILE 254 HG12 0.14 -0.04 -0.10 -0.04 1.49 1.45 3dlbB1 ILE 254 HG13 0.06 0.04 0.00 -0.04 1.21 1.28 3dlbB1 ILE 254 HG23 0.06 -0.01 -0.24 -0.04 0.93 0.71 3dlbB1 ILE 254 HD13 -0.54 -0.03 -0.25 -0.04 0.88 0.02 3dlbB1 PRO 255 HA -0.61 -0.00 0.60 -0.51 4.44 3.91 3dlbB1 PRO 255 HB2 -0.52 -0.00 -0.04 -0.04 2.28 1.68 3dlbB1 PRO 255 HB3 -1.11 0.00 0.04 -0.04 2.02 0.92 3dlbB1 PRO 255 HG2 -0.29 0.01 0.05 -0.04 2.03 1.76 3dlbB1 PRO 255 HG3 -0.25 0.04 0.00 -0.04 2.03 1.79 3dlbB1 PRO 255 HD2 -0.10 0.10 0.24 -0.04 3.68 3.87 3dlbB1 PRO 255 HD3 0.01 0.19 0.15 -0.04 3.65 3.95 3dlbB1 HIS 256 H -0.33 0.35 0.33 -0.55 8.41 8.21 3dlbB1 HIS 256 HA -0.12 0.13 0.53 -0.75 4.63 4.42 3dlbB1 HIS 256 HB2 -0.43 0.07 -0.28 -0.04 3.26 2.58 3dlbB1 HIS 256 HB3 -0.27 -0.02 -0.07 -0.04 3.20 2.80 3dlbB1 HIS 256 HD2 -1.23 0.01 -0.13 -0.04 6.97 5.57 3dlbB1 HIS 256 HE1 0.31 0.03 0.06 -0.04 7.75 8.10 3dlbB1 LEU 257 H 0.34 0.26 0.05 -0.55 8.37 8.48 3dlbB1 LEU 257 HA -0.06 0.18 1.10 -0.75 4.35 4.82 3dlbB1 LEU 257 HB2 -0.07 0.02 0.05 -0.04 1.64 1.61 3dlbB1 LEU 257 HB3 -0.06 0.02 -0.07 -0.04 1.64 1.49 3dlbB1 LEU 257 HG 0.00 -0.08 -0.47 -0.04 1.64 1.05 3dlbB1 LEU 257 HD13 -0.09 0.03 -0.11 -0.04 0.93 0.72 3dlbB1 LEU 257 HD23 -0.05 0.03 -0.11 -0.04 0.89 0.72 3dlbB1 THR 258 H -0.06 0.40 0.05 -0.55 8.28 8.12 3dlbB1 THR 258 HA -0.09 0.08 0.29 -0.75 4.39 3.91 3dlbB1 THR 258 HB -0.01 -0.07 -0.10 -0.04 4.32 4.11 3dlbB1 THR 258 HG23 -0.01 0.01 -0.10 -0.04 1.22 1.08 3dlbB1 GLY 259 H -0.04 0.18 -0.32 -0.55 8.43 7.71 3dlbB1 GLY 259 HA2 -0.01 -0.01 0.49 -0.51 4.01 3.97 3dlbB1 GLY 259 HA3 -0.02 -0.16 0.18 -0.51 4.01 3.50 3dlbB1 LEU 260 H -0.07 0.56 -0.63 -0.55 8.37 7.69 3dlbB1 LEU 260 HA 0.01 0.23 0.84 -0.75 4.35 4.68 3dlbB1 LEU 260 HB2 -0.05 -0.06 0.09 -0.04 1.64 1.58 3dlbB1 LEU 260 HB3 0.15 -0.12 0.26 -0.04 1.64 1.88 3dlbB1 LEU 260 HG 0.01 0.14 0.04 -0.04 1.64 1.78 3dlbB1 LEU 260 HD13 -0.05 -0.06 -0.40 -0.04 0.93 0.37 3dlbB1 LEU 260 HD23 -0.26 -0.04 -0.05 -0.04 0.89 0.50 3dlbB1 LEU 261 H -0.08 0.28 -0.08 -0.55 8.37 7.94 3dlbB1 LEU 261 HA -0.16 0.20 0.95 -0.75 4.35 4.60 3dlbB1 LEU 261 HB2 -0.14 -0.08 0.10 -0.04 1.64 1.48 3dlbB1 LEU 261 HB3 -0.15 -0.06 0.14 -0.04 1.64 1.53 3dlbB1 LEU 261 HG -0.46 0.18 -0.40 -0.04 1.64 0.92 3dlbB1 LEU 261 HD13 -0.31 -0.05 -0.27 -0.04 0.93 0.26 3dlbB1 LEU 261 HD23 -0.72 0.03 -0.11 -0.04 0.89 0.05 3dlbB1 VAL 262 H -0.09 0.52 0.31 -0.55 8.24 8.42 3dlbB1 VAL 262 HA -0.10 -0.23 0.69 -0.75 4.13 3.74 3dlbB1 VAL 262 HB -0.10 0.08 0.03 -0.04 2.12 2.09 3dlbB1 VAL 262 HG13 -0.13 0.03 0.03 -0.04 0.97 0.86 3dlbB1 VAL 262 HG23 -0.07 -0.03 -0.27 -0.04 0.95 0.53 3dlbB1 PRO 263 HA -0.14 0.08 0.51 -0.51 4.44 4.38 3dlbB1 PRO 263 HB2 -0.57 0.07 -0.04 -0.04 2.28 1.70 3dlbB1 PRO 263 HB3 -0.26 0.06 0.12 -0.04 2.02 1.90 3dlbB1 PRO 263 HG2 -0.61 0.09 -0.06 -0.04 2.03 1.42 3dlbB1 PRO 263 HG3 -0.16 0.00 0.02 -0.04 2.03 1.85 3dlbB1 PRO 263 HD2 -0.36 0.11 0.08 -0.04 3.68 3.47 3dlbB1 PRO 263 HD3 -0.14 -0.06 0.12 -0.04 3.65 3.53 3dlbB1 VAL 264 H -0.16 0.17 0.17 -0.55 8.24 7.87 3dlbB1 VAL 264 HA -0.11 0.20 0.39 -0.75 4.13 3.86 3dlbB1 VAL 264 HB -0.06 0.12 0.10 -0.04 2.12 2.24 3dlbB1 VAL 264 HG13 -0.09 -0.02 0.16 -0.04 0.97 0.98 3dlbB1 VAL 264 HG23 -0.05 -0.00 0.06 -0.04 0.95 0.92 3dlbB1 GLY 275 HA2 -0.06 -0.03 0.24 -0.51 4.01 3.65 3dlbB1 GLY 275 HA3 -0.03 -0.05 0.22 -0.51 4.01 3.64 3dlbB1 SER 276 H 0.01 0.36 0.25 -0.55 8.46 8.54 3dlbB1 SER 276 HA 0.02 0.09 0.64 -0.75 4.49 4.49 3dlbB1 LEU 277 H 0.03 0.10 0.09 -0.55 8.37 8.04 3dlbB1 LEU 277 HA 0.00 0.21 1.20 -0.75 4.35 5.01 3dlbB1 ALA 278 H -0.00 0.18 0.06 -0.55 8.40 8.10 3dlbB1 ALA 278 HA -0.00 0.19 -0.28 -0.75 4.34 3.49 3dlbB1 ALA 278 HB3 -0.07 0.00 0.08 -0.04 1.41 1.38 3dlbB1 LEU 279 H -0.03 0.41 -0.12 -0.55 8.37 8.08 3dlbB1 LEU 279 HA -0.08 -0.05 0.25 -0.75 4.35 3.72 3dlbB1 SER 280 H 0.01 0.13 0.00 -0.55 8.46 8.05 3dlbB1 SER 280 HA 0.04 0.05 0.70 -0.75 4.49 4.53 3dlbB1 SER 280 HB2 0.02 0.03 -0.41 -0.04 3.95 3.55 3dlbB1 SER 280 HB3 0.05 -0.04 -0.04 -0.04 3.93 3.86 3dlbB1 LEU 281 H 0.06 0.11 0.15 -0.55 8.37 8.14 3dlbB1 LEU 281 HA 0.04 0.07 0.55 -0.75 4.35 4.26 3dlbB1 PRO 282 HA 0.18 0.25 0.47 -0.51 4.44 4.83 3dlbB1 PRO 282 HB2 -0.20 -0.22 0.10 -0.04 2.28 1.92 3dlbB1 PRO 282 HB3 0.16 0.05 0.22 -0.04 2.02 2.40 3dlbB1 PRO 282 HG2 -0.01 0.03 0.10 -0.04 2.03 2.11 3dlbB1 PRO 282 HG3 0.07 0.13 0.10 -0.04 2.03 2.29 3dlbB1 PRO 282 HD2 -0.04 0.01 0.18 -0.04 3.68 3.79 3dlbB1 PRO 282 HD3 0.02 0.18 0.24 -0.04 3.65 4.05 3dlbB1 TRP 283 H 0.49 0.11 0.21 -0.55 7.97 8.24 3dlbB1 TRP 283 HA 0.12 0.25 0.61 -0.75 4.62 4.84 3dlbB1 TRP 283 HB2 0.13 0.05 0.08 -0.04 3.23 3.44 3dlbB1 TRP 283 HB3 0.11 0.16 0.18 -0.04 3.23 3.65 3dlbB1 TRP 283 HD1 0.04 0.05 0.22 -0.04 7.22 7.49 3dlbB1 TRP 283 HE1 0.03 0.04 0.10 -0.04 10.20 10.32 3dlbB1 TRP 283 HE3 0.05 0.04 -0.04 -0.04 7.59 7.60 3dlbB1 TRP 283 HZ2 0.02 0.00 0.05 -0.04 7.44 7.48 3dlbB1 TRP 283 HZ3 0.03 0.11 -0.01 -0.04 7.13 7.22 3dlbB1 TRP 283 HH2 0.02 0.07 0.04 -0.04 7.19 7.29 3dlbB1 GLU 284 H -2.31 0.11 0.12 -0.55 8.60 5.97 3dlbB1 GLU 284 HA -0.67 0.13 0.36 -0.75 4.29 3.36 3dlbB1 GLU 285 H -0.38 0.03 -0.41 -0.55 8.60 7.29 3dlbB1 GLU 285 HA -0.18 0.09 0.43 -0.75 4.29 3.88 3dlbB1 GLU 285 HB2 -0.14 -0.02 0.06 -0.04 2.09 1.95 3dlbB1 GLU 285 HB3 -0.09 0.07 -0.01 -0.04 1.99 1.93 3dlbB1 GLU 285 HG2 -0.03 0.02 -0.00 -0.04 2.34 2.29 3dlbB1 GLU 285 HG3 -0.04 0.02 -0.18 -0.04 2.34 2.10 3dlbB1 ARG 286 H -0.08 0.37 -0.31 -0.55 8.46 7.89 3dlbB1 ARG 286 HA 0.01 0.01 0.47 -0.75 4.34 4.07 3dlbB1 ARG 286 HB2 0.09 0.05 0.10 -0.04 1.90 2.10 3dlbB1 ARG 286 HB3 0.12 0.15 0.22 -0.04 1.80 2.25 3dlbB1 ARG 286 HG2 0.29 -0.03 -0.31 -0.04 1.67 1.58 3dlbB1 ARG 286 HG3 0.14 -0.08 0.06 -0.04 1.67 1.74 3dlbB1 ARG 286 HD2 0.23 0.09 0.02 -0.04 3.22 3.52 3dlbB1 ARG 286 HD3 0.26 -0.02 -0.02 -0.04 3.22 3.40 3dlbB1 ARG 287 H -0.32 0.63 -0.08 -0.55 8.46 8.14 3dlbB1 ARG 287 HA -0.30 0.08 0.43 -0.75 4.34 3.79 3dlbB1 ARG 287 HB2 -0.95 -0.02 0.06 -0.04 1.90 0.95 3dlbB1 ARG 287 HB3 -1.86 0.05 0.05 -0.04 1.80 -0.00 3dlbB1 ARG 287 HG2 -0.41 0.01 0.05 -0.04 1.67 1.29 3dlbB1 ARG 287 HG3 -0.30 0.01 -0.27 -0.04 1.67 1.07 3dlbB1 ARG 287 HD2 -0.20 -0.00 -0.06 -0.04 3.22 2.92 3dlbB1 ARG 287 HD3 -0.12 -0.04 -0.07 -0.04 3.22 2.94 3dlbB1 ARG 288 H -0.17 0.24 -0.64 -0.55 8.46 7.34 3dlbB1 ARG 288 HA -0.10 0.09 0.62 -0.75 4.34 4.20 3dlbB1 ARG 288 HB2 -0.15 0.05 0.09 -0.04 1.90 1.86 3dlbB1 ARG 288 HB3 -0.12 0.15 0.22 -0.04 1.80 2.00 3dlbB1 ARG 288 HG2 -0.07 -0.05 -0.04 -0.04 1.67 1.48 3dlbB1 ARG 288 HG3 -0.09 -0.03 -0.01 -0.04 1.67 1.51 3dlbB1 ARG 288 HD2 -0.07 0.10 -0.05 -0.04 3.22 3.15 3dlbB1 ARG 288 HD3 -0.06 -0.05 -0.24 -0.04 3.22 2.83 3dlbB1 ARG 289 H -0.06 0.62 0.12 -0.55 8.46 8.58 3dlbB1 ARG 289 HA -0.03 -0.00 0.40 -0.75 4.34 3.95 3dlbB1 ARG 289 HB2 -0.02 -0.01 0.14 -0.04 1.90 1.98 3dlbB1 ARG 289 HB3 -0.00 0.10 0.21 -0.04 1.80 2.06 3dlbB1 ARG 289 HG2 0.03 0.01 0.02 -0.04 1.67 1.69 3dlbB1 ARG 289 HG3 0.02 0.01 -0.18 -0.04 1.67 1.48 3dlbB1 ARG 289 HD2 -0.02 -0.01 0.03 -0.04 3.22 3.18 3dlbB1 ARG 289 HD3 -0.03 -0.07 0.17 -0.04 3.22 3.26 3dlbB1 THR 290 H 0.01 0.36 -0.51 -0.55 8.28 7.59 3dlbB1 THR 290 HA 0.06 0.03 0.46 -0.75 4.39 4.19 3dlbB1 THR 290 HB 0.15 0.08 0.06 -0.04 4.32 4.57 3dlbB1 THR 290 HG23 0.15 -0.05 -0.02 -0.04 1.22 1.27 3dlbB1 ARG 291 H 0.02 0.35 -0.26 -0.55 8.46 8.02 3dlbB1 ARG 291 HA 0.04 0.03 0.32 -0.75 4.34 3.96 3dlbB1 GLU 292 H -0.03 0.27 -0.77 -0.55 8.60 7.52 3dlbB1 GLU 292 HA -0.03 0.07 0.49 -0.75 4.29 4.06 3dlbB1 GLU 292 HB2 -0.03 0.21 0.14 -0.04 2.09 2.36 3dlbB1 GLU 292 HB3 -0.03 -0.06 -0.02 -0.04 1.99 1.84 3dlbB1 GLU 292 HG2 -0.03 -0.05 -0.02 -0.04 2.34 2.20 3dlbB1 GLU 292 HG3 -0.04 0.22 -0.05 -0.04 2.34 2.42 3dlbB1 ILE 293 H -0.02 0.47 0.04 -0.55 8.25 8.19 3dlbB1 ILE 293 HA 0.13 -0.04 0.34 -0.75 4.18 3.86 3dlbB1 ILE 293 HB 0.00 0.11 0.02 -0.04 1.89 1.98 3dlbB1 ILE 293 HG12 -0.02 -0.07 0.04 -0.04 1.49 1.39 3dlbB1 ILE 293 HG13 -0.01 0.22 0.19 -0.04 1.21 1.57 3dlbB1 ILE 293 HG23 0.10 -0.01 -0.07 -0.04 0.93 0.91 3dlbB1 ILE 293 HD13 0.00 -0.01 -0.10 -0.04 0.88 0.72 3dlbB1 ALA 294 H -0.19 0.44 -0.59 -0.55 8.40 7.51 3dlbB1 ALA 294 HA -0.30 0.01 0.25 -0.75 4.34 3.55 3dlbB1 ALA 294 HB3 -1.10 0.05 -0.08 -0.04 1.41 0.23 3dlbB1 SER 295 H -0.11 0.61 -0.29 -0.55 8.46 8.13 3dlbB1 SER 295 HA -0.09 0.07 0.58 -0.75 4.49 4.29 3dlbB1 SER 295 HB2 -0.00 0.16 0.23 -0.04 3.95 4.29 3dlbB1 SER 295 HB3 -0.00 -0.08 0.00 -0.04 3.93 3.81 3dlbB1 TRP 296 H 0.16 0.41 0.00 -0.55 7.97 8.00 3dlbB1 TRP 296 HA -0.06 0.05 0.41 -0.75 4.62 4.26 3dlbB1 TRP 296 HB2 -0.06 -0.03 0.02 -0.04 3.23 3.13 3dlbB1 TRP 296 HB3 -0.07 -0.02 0.12 -0.04 3.23 3.22 3dlbB1 TRP 296 HD1 -0.05 0.01 -0.13 -0.04 7.22 7.00 3dlbB1 TRP 296 HE1 -0.04 0.04 -0.10 -0.04 10.20 10.06 3dlbB1 TRP 296 HE3 -0.04 -0.01 0.00 -0.04 7.59 7.50 3dlbB1 TRP 296 HZ2 -0.03 0.08 -0.04 -0.04 7.44 7.41 3dlbB1 TRP 296 HZ3 -0.03 -0.02 -0.01 -0.04 7.13 7.03 3dlbB1 TRP 296 HH2 -0.02 0.01 -0.01 -0.04 7.19 7.12 3dlbB1 ILE 297 H 0.07 1.04 0.05 -0.55 8.25 8.86 3dlbB1 ILE 297 HA -0.28 0.03 0.43 -0.75 4.18 3.60 3dlbB1 ILE 297 HB 0.06 -0.04 0.03 -0.04 1.89 1.90 3dlbB1 ILE 297 HG12 -0.09 -0.05 -0.07 -0.04 1.49 1.24 3dlbB1 ILE 297 HG13 -0.05 -0.00 -0.00 -0.04 1.21 1.12 3dlbB1 ILE 297 HG23 -0.07 0.14 -0.11 -0.04 0.93 0.85 3dlbB1 ILE 297 HD13 -0.01 0.00 -0.10 -0.04 0.88 0.74 3dlbB1 GLY 298 H -0.13 0.30 -0.64 -0.55 8.43 7.41 3dlbB1 GLY 298 HA2 -0.13 -0.02 0.38 -0.51 4.01 3.73 3dlbB1 GLY 298 HA3 -0.13 0.15 0.32 -0.51 4.01 3.84 3dlbB1 ARG 299 H -0.29 0.27 -0.95 -0.55 8.46 6.93 3dlbB1 ARG 299 HA -0.20 0.05 0.51 -0.75 4.34 3.95 3dlbB1 ARG 299 HB2 -0.33 -0.10 0.08 -0.04 1.90 1.51 3dlbB1 ARG 299 HB3 -0.47 0.32 0.22 -0.04 1.80 1.83 3dlbB1 ARG 299 HG2 -0.59 -0.32 0.15 -0.04 1.67 0.87 3dlbB1 ARG 299 HG3 -0.45 -0.07 -0.19 -0.04 1.67 0.93 3dlbB1 ARG 299 HD2 -2.18 0.16 0.09 -0.04 3.22 1.25 3dlbB1 ARG 299 HD3 -1.31 -0.05 0.00 -0.04 3.22 1.82 3dlbB1 ARG 300 H -0.35 0.23 0.03 -0.55 8.46 7.82 3dlbB1 ARG 300 HA -0.19 0.10 0.51 -0.75 4.34 4.00 3dlbB1 LEU 301 H -0.18 0.14 -0.60 -0.55 8.37 7.19 3dlbB1 LEU 301 HA -0.13 0.12 0.53 -0.75 4.35 4.12 3dlbB1 LEU 301 HB2 -0.14 0.02 0.03 -0.04 1.64 1.51 3dlbB1 LEU 301 HB3 -0.15 -0.08 -0.09 -0.04 1.64 1.28 3dlbB1 LEU 301 HG -0.11 0.06 -0.07 -0.04 1.64 1.48 3dlbB1 LEU 301 HD13 -0.08 -0.03 -0.27 -0.04 0.93 0.51 3dlbB1 LEU 301 HD23 -0.07 -0.01 -0.06 -0.04 0.89 0.71 3dlbB1 GLY 302 H -0.15 0.30 -0.23 -0.55 8.43 7.81 3dlbB1 GLY 302 HA2 -0.12 0.03 0.32 -0.51 4.01 3.72 3dlbB1 GLY 302 HA3 -0.13 0.04 0.30 -0.51 4.01 3.71 3dlbB1 LEU 303 H -0.16 0.21 -0.30 -0.55 8.37 7.57 3dlbB1 LEU 303 HA -0.23 0.17 0.85 -0.75 4.35 4.39 3dlbB1 LEU 303 HB2 -0.28 0.01 -0.09 -0.04 1.64 1.24 3dlbB1 LEU 303 HB3 -0.36 -0.12 0.17 -0.04 1.64 1.29 3dlbB1 LEU 303 HG -0.82 -0.06 0.01 -0.04 1.64 0.74 3dlbB1 LEU 303 HD13 -0.32 0.18 -0.19 -0.04 0.93 0.57 3dlbB1 LEU 303 HD23 -1.04 -0.02 -0.04 -0.04 0.89 -0.26 3dlbB1 GLY 304 H -0.11 0.14 -0.20 -0.55 8.43 7.71 3dlbB1 GLY 304 HA2 -0.06 0.01 0.29 -0.51 4.01 3.75 3dlbB1 GLY 304 HA3 -0.05 0.03 0.54 -0.51 4.01 4.02 3dlbB1 THR 305 H -0.03 0.11 0.12 -0.55 8.28 7.94 3dlbB1 THR 305 HA -0.05 0.24 0.90 -0.75 4.39 4.73 3dlbB1 THR 305 HB -0.02 0.09 0.02 -0.04 4.32 4.37 3dlbB1 THR 305 HG23 -0.04 -0.02 -0.06 -0.04 1.22 1.06 3dlbB1 PRO 306 HA 0.04 0.20 0.31 -0.51 4.44 4.48 3dlbB1 PRO 306 HB2 -0.09 -0.05 -0.07 -0.04 2.28 2.02 3dlbB1 PRO 306 HB3 -0.14 -0.03 -0.05 -0.04 2.02 1.76 3dlbB1 PRO 306 HG2 -0.15 0.36 0.09 -0.04 2.03 2.29 3dlbB1 PRO 306 HG3 -0.10 0.01 0.03 -0.04 2.03 1.93 3dlbB1 PRO 306 HD2 -0.07 0.04 0.20 -0.04 3.68 3.81 3dlbB1 PRO 306 HD3 -0.07 0.27 0.24 -0.04 3.65 4.05 3dlbB1 GLU 307 H 0.17 0.21 0.08 -0.55 8.60 8.51 3dlbB1 GLU 307 HA 0.10 0.09 0.83 -0.75 4.29 4.56 3dlbB1 GLU 307 HB2 0.05 0.10 0.12 -0.04 2.09 2.32 3dlbB1 GLU 307 HB3 0.06 -0.03 0.03 -0.04 1.99 2.01 3dlbB1 GLU 307 HG2 0.04 0.21 -0.16 -0.04 2.34 2.38 3dlbB1 GLU 307 HG3 0.03 -0.08 -0.03 -0.04 2.34 2.22 3dlbB1 ALA 308 H 0.15 0.12 0.09 -0.55 8.40 8.21 3dlbB1 ALA 308 HA -0.28 0.21 0.54 -0.75 4.34 4.05 3dlbB1 ALA 308 HB3 -0.10 0.00 0.09 -0.04 1.41 1.36 3dlbB1 VAL 309 H -0.21 0.37 0.29 -0.55 8.24 8.14 3dlbB1 VAL 309 HA 0.03 0.11 0.81 -0.75 4.13 4.33 3dlbB1 VAL 309 HB -0.06 -0.04 0.12 -0.04 2.12 2.10 3dlbB1 VAL 309 HG13 0.01 -0.01 -0.19 -0.04 0.97 0.73 3dlbB1 VAL 309 HG23 -0.07 0.01 -0.09 -0.04 0.95 0.76 3dlbB1 ARG 310 H 0.04 0.16 0.24 -0.55 8.46 8.35 3dlbB1 ARG 310 HA -0.04 0.31 0.95 -0.75 4.34 4.80 3dlbB1 ALA 311 H -0.08 0.66 0.34 -0.55 8.40 8.77 3dlbB1 ALA 311 HA -0.04 0.12 0.88 -0.75 4.34 4.55 3dlbB1 ALA 311 HB3 -0.02 0.03 -0.11 -0.04 1.41 1.27 3dlbB1 GLN 312 H -0.07 0.16 0.14 -0.55 8.47 8.15 3dlbB1 GLN 312 HA -0.19 0.13 0.69 -0.75 4.36 4.23 3dlbB1 GLN 312 HB2 -0.29 0.02 0.06 -0.04 2.15 1.89 3dlbB1 GLN 312 HB3 -0.17 -0.00 0.07 -0.04 2.02 1.88 3dlbB1 GLN 312 HG2 -0.03 0.01 0.20 -0.04 2.40 2.54 3dlbB1 GLN 312 HG3 -0.01 -0.00 0.07 -0.04 2.39 2.41 3dlbB1 GLN 312 HE21 -0.02 0.01 -0.00 -0.04 6.97 6.92 3dlbB1 GLN 312 HE22 -0.01 -0.01 0.02 -0.04 7.69 7.65 3dlbB1 ALA 313 H -0.22 0.63 0.44 -0.55 8.40 8.71 3dlbB1 ALA 313 HA -0.15 0.21 0.92 -0.75 4.34 4.56 3dlbB1 ALA 313 HB3 -0.09 -0.03 -0.13 -0.04 1.41 1.12 3dlbB1 TYR 314 H 0.08 0.70 0.33 -0.55 8.29 8.84 3dlbB1 TYR 314 HA -0.02 0.19 0.98 -0.75 4.56 4.95 3dlbB1 TYR 314 HB2 0.17 0.00 0.13 -0.04 3.06 3.33 3dlbB1 TYR 314 HB3 0.07 0.04 0.02 -0.04 2.98 3.07 3dlbB1 TYR 314 HD2 -0.15 0.13 0.09 -0.04 7.15 7.18 3dlbB1 TYR 314 HE2 -0.07 0.02 0.01 -0.04 6.85 6.77 3dlbB1 ARG 315 H 0.09 0.28 0.15 -0.55 8.46 8.43 3dlbB1 ARG 315 HA 0.00 0.08 0.65 -0.75 4.34 4.32 3dlbB1 ARG 315 HB2 0.01 0.00 0.07 -0.04 1.90 1.94 3dlbB1 ARG 315 HB3 0.05 0.01 0.15 -0.04 1.80 1.98 3dlbB1 ARG 315 HG2 0.03 -0.04 -0.03 -0.04 1.67 1.58 3dlbB1 ARG 315 HG3 0.04 0.10 -0.29 -0.04 1.67 1.48 3dlbB1 ARG 315 HD2 0.01 -0.02 0.03 -0.04 3.22 3.20 3dlbB1 ARG 315 HD3 -0.01 0.07 0.09 -0.04 3.22 3.33 3dlbB1 LEU 316 H -0.08 0.51 0.29 -0.55 8.37 8.55 3dlbB1 LEU 316 HA 0.03 0.07 0.68 -0.75 4.35 4.38 3dlbB1 LEU 316 HB2 -0.46 0.06 -0.14 -0.04 1.64 1.06 3dlbB1 LEU 316 HB3 -0.18 0.07 -0.11 -0.04 1.64 1.38 3dlbB1 LEU 316 HG -0.23 -0.03 -0.30 -0.04 1.64 1.04 3dlbB1 LEU 316 HD13 -0.51 0.00 -0.24 -0.04 0.93 0.14 3dlbB1 LEU 316 HD23 -0.88 -0.01 -0.14 -0.04 0.89 -0.18 3dlbB1 SER 317 H 0.43 0.09 0.10 -0.55 8.46 8.54 3dlbB1 SER 317 HA 0.14 0.03 0.49 -0.75 4.49 4.40 3dlbB1 SER 317 HB2 0.11 0.00 0.05 -0.04 3.95 4.06 3dlbB1 SER 317 HB3 0.17 -0.04 0.11 -0.04 3.93 4.12 3dlbB1 ILE 318 H 0.11 0.09 0.15 -0.55 8.25 8.05 3dlbB1 ILE 318 HA 0.18 0.14 0.58 -0.75 4.18 4.32 3dlbB1 ILE 318 HB 0.11 -0.05 0.10 -0.04 1.89 2.01 3dlbB1 ILE 318 HG12 0.02 -0.09 -0.01 -0.04 1.49 1.37 3dlbB1 ILE 318 HG13 -0.00 0.11 -0.36 -0.04 1.21 0.92 3dlbB1 ILE 318 HG23 0.05 -0.02 0.12 -0.04 0.93 1.04 3dlbB1 ILE 318 HD13 -0.01 0.01 0.05 -0.04 0.88 0.89 3dlbB1 PRO 319 HA -0.11 0.03 0.50 -0.51 4.44 4.35 3dlbB1 PRO 319 HB2 -0.29 0.06 -0.11 -0.04 2.28 1.90 3dlbB1 PRO 319 HB3 -1.16 0.03 0.06 -0.04 2.02 0.90 3dlbB1 PRO 319 HG2 -0.21 0.02 0.01 -0.04 2.03 1.81 3dlbB1 PRO 319 HG3 -0.44 0.04 0.03 -0.04 2.03 1.62 3dlbB1 PRO 319 HD2 -0.08 0.02 0.21 -0.04 3.68 3.79 3dlbB1 PRO 319 HD3 -0.14 0.25 0.23 -0.04 3.65 3.94 3dlbB1 LYS 320 H -0.04 0.16 0.18 -0.55 8.42 8.16 3dlbB1 LYS 320 HA -0.03 0.13 0.78 -0.75 4.32 4.45 3dlbB1 LYS 320 HB2 -0.01 0.01 0.07 -0.04 1.87 1.90 3dlbB1 LYS 320 HB3 -0.01 -0.04 0.21 -0.04 1.79 1.90 3dlbB1 LYS 320 HG2 -0.01 -0.07 -0.16 -0.04 1.46 1.19 3dlbB1 LYS 320 HG3 -0.01 0.17 -0.24 -0.04 1.46 1.33 3dlbB1 LYS 320 HD2 -0.00 -0.02 -0.00 -0.04 1.69 1.62 3dlbB1 LYS 320 HD3 0.01 -0.02 -0.05 -0.04 1.68 1.57 3dlbB1 LYS 320 HE2 0.01 0.07 -0.06 -0.04 2.99 2.97 3dlbB1 LYS 320 HE3 -0.00 0.00 0.01 -0.04 2.99 2.96 3dlbB1 LEU 321 H -0.03 0.24 0.24 -0.55 8.37 8.27 3dlbB1 LEU 321 HA -0.05 0.31 0.86 -0.75 4.35 4.71 3dlbB1 LEU 321 HB2 -0.03 0.22 -0.01 -0.04 1.64 1.78 3dlbB1 LEU 321 HB3 -0.03 -0.07 -0.16 -0.04 1.64 1.33 3dlbB1 LEU 321 HG -0.08 0.04 -0.29 -0.04 1.64 1.27 3dlbB1 LEU 321 HD13 -0.07 0.00 -0.29 -0.04 0.93 0.53 3dlbB1 LEU 321 HD23 -0.07 0.01 -0.24 -0.04 0.89 0.56 3dlbB1 MET 322 H -0.04 0.36 0.24 -0.55 8.47 8.48 3dlbB1 MET 322 HA 0.04 0.08 0.80 -0.75 4.52 4.69 3dlbB1 MET 322 HB2 0.01 -0.03 0.06 -0.04 2.15 2.15 3dlbB1 MET 322 HB3 0.23 0.21 -0.11 -0.04 2.03 2.31 3dlbB1 MET 322 HG2 0.02 -0.02 -0.48 -0.04 2.63 2.12 3dlbB1 MET 322 HG3 0.08 -0.04 -0.15 -0.04 2.56 2.40 3dlbB1 MET 322 HE3 0.09 0.04 -0.25 -0.04 2.10 1.93 3dlbB1 GLY 323 H 0.06 0.43 -0.12 -0.55 8.43 8.25 3dlbB1 GLY 323 HA2 0.16 0.22 0.86 -0.51 4.01 4.74 3dlbB1 GLY 323 HA3 0.06 0.04 0.40 -0.51 4.01 4.01 3dlbB1 ARG 324 H 0.00 0.20 -0.03 -0.55 8.46 8.08 3dlbB1 ARG 324 HA -0.02 0.18 0.55 -0.75 4.34 4.29 3dlbB1 ARG 325 H -0.00 0.06 0.04 -0.55 8.46 8.00 3dlbB1 ARG 325 HA 0.00 0.15 0.75 -0.75 4.34 4.49 3dlbB1 ARG 325 HB2 -0.02 0.01 0.06 -0.04 1.90 1.91 3dlbB1 ARG 325 HB3 -0.01 -0.03 0.10 -0.04 1.80 1.82 3dlbB1 ARG 325 HG2 -0.01 0.00 0.00 -0.04 1.67 1.62 3dlbB1 ARG 325 HG3 -0.02 0.04 -0.16 -0.04 1.67 1.49 3dlbB1 ARG 325 HD2 -0.01 -0.04 0.02 -0.04 3.22 3.14 3dlbB1 ARG 325 HD3 -0.02 -0.02 0.01 -0.04 3.22 3.14 3dlbB1 ALA 326 H 0.01 0.06 0.11 -0.55 8.40 8.03 3dlbB1 ALA 326 HA 0.01 0.19 0.48 -0.75 4.34 4.27 3dlbB1 ALA 326 HB3 0.00 -0.01 0.09 -0.04 1.41 1.45 3dlbB1 VAL 327 H -0.00 0.49 0.21 -0.55 8.24 8.39 3dlbB1 VAL 327 HA -0.01 0.06 0.66 -0.75 4.13 4.08 3dlbB1 VAL 327 HB -0.00 0.14 -0.38 -0.04 2.12 1.84 3dlbB1 VAL 327 HG13 -0.01 -0.01 -0.42 -0.04 0.97 0.50 3dlbB1 VAL 327 HG23 -0.02 -0.06 -0.10 -0.04 0.95 0.73 3dlbB1 SER 328 H -0.02 0.09 0.13 -0.55 8.46 8.10 3dlbB1 SER 328 HA -0.03 0.22 0.73 -0.75 4.49 4.66 3dlbB1 SER 328 HB2 -0.03 0.03 0.03 -0.04 3.95 3.94 3dlbB1 SER 328 HB3 -0.02 0.02 0.06 -0.04 3.93 3.94 3dlbB1 LYS 329 H -0.04 0.07 0.03 -0.55 8.42 7.93 3dlbB1 LYS 329 HA -0.06 0.37 0.72 -0.75 4.32 4.59 3dlbB1 LYS 329 HB2 -0.09 0.02 0.12 -0.04 1.87 1.88 3dlbB1 LYS 329 HB3 -0.07 0.13 -0.06 -0.04 1.79 1.75 3dlbB1 LYS 329 HG2 -0.06 -0.03 0.01 -0.04 1.46 1.34 3dlbB1 LYS 329 HG3 -0.07 -0.37 -0.10 -0.04 1.46 0.88 3dlbB1 LYS 329 HD2 -0.09 -0.01 -0.05 -0.04 1.69 1.50 3dlbB1 LYS 329 HD3 -0.12 0.03 -0.03 -0.04 1.68 1.53 3dlbB1 LYS 329 HE2 -0.06 -0.02 -0.05 -0.04 2.99 2.82 3dlbB1 LYS 329 HE3 -0.08 0.02 -0.03 -0.04 2.99 2.86 3dlbB1 PRO 330 HA -0.01 0.13 0.36 -0.51 4.44 4.41 3dlbB1 PRO 330 HB2 -0.02 -0.00 0.04 -0.04 2.28 2.25 3dlbB1 PRO 330 HB3 -0.01 0.06 0.03 -0.04 2.02 2.05 3dlbB1 PRO 330 HG2 -0.01 -0.02 0.16 -0.04 2.03 2.12 3dlbB1 PRO 330 HG3 -0.03 0.09 -0.02 -0.04 2.03 2.03 3dlbB1 PRO 330 HD2 -0.06 0.08 0.25 -0.04 3.68 3.91 3dlbB1 PRO 330 HD3 -0.06 0.29 0.17 -0.04 3.65 4.02 3dlbB1 ALA 331 H -0.07 0.15 -0.22 -0.55 8.40 7.72 3dlbB1 ALA 331 HA -0.06 0.13 0.31 -0.75 4.34 3.97 3dlbB1 ALA 331 HB3 -0.14 0.01 -0.01 -0.04 1.41 1.23 3dlbB1 ASP 332 H -0.05 0.17 -0.32 -0.55 8.40 7.65 3dlbB1 ASP 332 HA -0.04 0.07 0.36 -0.75 4.63 4.26 3dlbB1 ASP 332 HB2 -0.03 0.08 0.04 -0.04 2.71 2.76 3dlbB1 ASP 332 HB3 -0.03 0.03 0.15 -0.04 2.70 2.81 3dlbB1 ALA 333 H -0.00 0.52 -0.76 -0.55 8.40 7.61 3dlbB1 ALA 333 HA -0.02 0.08 0.58 -0.75 4.34 4.24 3dlbB1 ALA 333 HB3 0.10 0.06 -0.01 -0.04 1.41 1.52 3dlbB1 LEU 334 H 0.00 0.52 -0.16 -0.55 8.37 8.19 3dlbB1 LEU 334 HA -0.02 0.14 0.49 -0.75 4.35 4.20 3dlbB1 LEU 334 HB2 0.00 0.12 0.09 -0.04 1.64 1.82 3dlbB1 LEU 334 HB3 0.07 -0.06 0.09 -0.04 1.64 1.70 3dlbB1 LEU 334 HG 0.07 0.03 0.03 -0.04 1.64 1.73 3dlbB1 LEU 334 HD13 0.05 -0.02 0.01 -0.04 0.93 0.92 3dlbB1 LEU 334 HD23 0.30 0.00 -0.13 -0.04 0.89 1.02 3dlbB1 ARG 335 H -0.06 0.03 -0.57 -0.55 8.46 7.31 3dlbB1 ARG 335 HA -0.04 0.18 0.74 -0.75 4.34 4.46 3dlbB1 VAL 336 H -0.07 0.16 0.10 -0.55 8.24 7.87 3dlbB1 VAL 336 HA -0.06 0.12 0.73 -0.75 4.13 4.16 3dlbB1 VAL 336 HB -0.05 0.04 0.19 -0.04 2.12 2.27 3dlbB1 VAL 336 HG13 -0.04 -0.00 -0.00 -0.04 0.97 0.89 3dlbB1 VAL 336 HG23 -0.03 -0.00 0.06 -0.04 0.95 0.93 3dlbB1 GLY 337 H -0.18 0.18 0.03 -0.55 8.43 7.91 3dlbB1 GLY 337 HA2 -0.52 0.07 0.20 -0.51 4.01 3.24 3dlbB1 GLY 337 HA3 -0.22 0.31 0.80 -0.51 4.01 4.39 3dlbB1 PHE 338 H -0.64 0.11 0.06 -0.55 8.34 7.32 3dlbB1 PHE 338 HA -0.03 0.16 0.67 -0.75 4.62 4.67 3dlbB1 PHE 338 HB2 -0.10 0.02 -0.14 -0.04 3.15 2.88 3dlbB1 PHE 338 HB3 -0.04 0.10 0.07 -0.04 3.06 3.15 3dlbB1 PHE 338 HD2 -0.22 0.02 -0.08 -0.04 7.28 6.95 3dlbB1 PHE 338 HE2 -0.85 -0.05 -0.19 -0.04 7.38 6.25 3dlbB1 PHE 338 HZ -0.25 -0.06 -0.15 -0.04 7.32 6.82 3dlbB1 TYR 339 H 0.29 0.59 0.33 -0.55 8.29 8.94 3dlbB1 TYR 339 HA 0.03 0.26 0.21 -0.75 4.56 4.31 3dlbB1 TYR 339 HB2 0.03 0.17 0.16 -0.04 3.06 3.38 3dlbB1 TYR 339 HB3 0.03 0.07 -0.11 -0.04 2.98 2.92 3dlbB1 TYR 339 HD2 0.01 0.10 -0.17 -0.04 7.15 7.05 3dlbB1 TYR 339 HE2 0.01 -0.05 -0.07 -0.04 6.85 6.70 3dlbB1 ARG 340 H 0.19 0.52 0.08 -0.55 8.46 8.70 3dlbB1 ARG 340 HA -0.06 0.13 0.75 -0.75 4.34 4.41 3dlbB1 ARG 340 HB2 0.14 -0.11 0.12 -0.04 1.90 2.00 3dlbB1 ARG 340 HB3 0.05 0.06 0.01 -0.04 1.80 1.87 3dlbB1 ARG 340 HG2 -0.01 0.04 -0.30 -0.04 1.67 1.36 3dlbB1 ARG 340 HG3 0.16 -0.04 -0.04 -0.04 1.67 1.72 3dlbB1 ARG 340 HD2 0.00 -0.04 0.03 -0.04 3.22 3.17 3dlbB1 ARG 340 HD3 -0.05 0.02 0.13 -0.04 3.22 3.27 3dlbB1 ALA 341 H 0.02 0.18 0.12 -0.55 8.40 8.16 3dlbB1 ALA 341 HA 0.10 0.17 0.89 -0.75 4.34 4.75 3dlbB1 ALA 341 HB3 0.07 0.00 -0.03 -0.04 1.41 1.41 3dlbB1 GLN 342 H 0.16 0.36 0.18 -0.55 8.47 8.62 3dlbB1 GLN 342 HA 0.07 0.05 0.47 -0.75 4.36 4.18 3dlbB1 GLN 342 HB2 0.08 0.01 -0.23 -0.04 2.15 1.96 3dlbB1 GLN 342 HB3 0.06 0.03 0.04 -0.04 2.02 2.11 3dlbB1 GLN 342 HG2 0.03 -0.04 0.13 -0.04 2.40 2.48 3dlbB1 GLN 342 HG3 0.04 0.09 -0.60 -0.04 2.39 1.88 3dlbB1 GLN 342 HE21 0.02 0.01 -0.01 -0.04 6.97 6.95 3dlbB1 GLN 342 HE22 0.02 -0.05 0.01 -0.04 7.69 7.63 3dlbB1 GLU 343 H 0.06 0.12 0.16 -0.55 8.60 8.40 3dlbB1 GLU 343 HA 0.09 0.15 0.69 -0.75 4.29 4.47 3dlbB1 GLU 343 HB2 0.03 0.02 0.16 -0.04 2.09 2.27 3dlbB1 GLU 343 HB3 0.03 0.01 0.08 -0.04 1.99 2.07 3dlbB1 GLU 343 HG2 0.04 -0.03 0.16 -0.04 2.34 2.47 3dlbB1 GLU 343 HG3 0.03 0.00 0.08 -0.04 2.34 2.41 3dlbB1 THR 344 H 0.02 0.53 0.40 -0.55 8.28 8.68 3dlbB1 THR 344 HA 0.04 0.28 1.09 -0.75 4.39 5.05 3dlbB1 THR 344 HB 0.22 0.05 -0.12 -0.04 4.32 4.43 3dlbB1 THR 344 HG23 -0.30 -0.01 -0.09 -0.04 1.22 0.78 3dlbB1 ALA 345 H 0.03 0.34 0.21 -0.55 8.40 8.43 3dlbB1 ALA 345 HA 0.06 0.09 0.85 -0.75 4.34 4.59 3dlbB1 ALA 345 HB3 0.07 0.11 -0.12 -0.04 1.41 1.44 3dlbB1 LEU 346 H 0.13 0.56 0.21 -0.55 8.37 8.72 3dlbB1 LEU 346 HA 0.13 0.21 1.07 -0.75 4.35 5.01 3dlbB1 LEU 346 HB2 0.15 -0.01 0.13 -0.04 1.64 1.87 3dlbB1 LEU 346 HB3 0.31 0.01 -0.08 -0.04 1.64 1.84 3dlbB1 LEU 346 HG 0.13 0.05 -0.16 -0.04 1.64 1.62 3dlbB1 LEU 346 HD13 0.04 0.10 -0.52 -0.04 0.93 0.51 3dlbB1 LEU 346 HD23 0.10 -0.01 -0.14 -0.04 0.89 0.80 3dlbB1 ALA 347 H 0.13 0.43 0.24 -0.55 8.40 8.65 3dlbB1 ALA 347 HA 0.34 0.17 0.75 -0.75 4.34 4.84 3dlbB1 ALA 347 HB3 0.07 0.01 -0.11 -0.04 1.41 1.33 3dlbB1 LEU 348 H -0.01 0.27 0.11 -0.55 8.37 8.19 3dlbB1 LEU 348 HA -0.29 0.20 1.08 -0.75 4.35 4.58 3dlbB1 LEU 348 HB2 -1.96 0.02 -0.05 -0.04 1.64 -0.39 3dlbB1 LEU 348 HB3 -0.97 0.02 0.12 -0.04 1.64 0.77 3dlbB1 LEU 348 HG -0.50 0.03 -0.07 -0.04 1.64 1.05 3dlbB1 LEU 348 HD13 -1.12 -0.02 -0.11 -0.04 0.93 -0.36 3dlbB1 LEU 348 HD23 -0.37 -0.02 -0.46 -0.04 0.89 -0.01 3dlbB1 LEU 349 H -0.15 0.72 0.35 -0.55 8.37 8.75 3dlbB1 LEU 349 HA -0.04 0.14 1.01 -0.75 4.35 4.70 3dlbB1 LEU 349 HB2 0.00 -0.01 -0.05 -0.04 1.64 1.54 3dlbB1 LEU 349 HB3 -0.02 0.01 0.14 -0.04 1.64 1.74 3dlbB1 LEU 349 HG -0.01 -0.00 -0.32 -0.04 1.64 1.27 3dlbB1 LEU 349 HD13 0.10 0.01 0.07 -0.04 0.93 1.08 3dlbB1 LEU 349 HD23 0.08 -0.02 -0.10 -0.04 0.89 0.81 3dlbB1 ARG 350 H -0.04 0.33 0.16 -0.55 8.46 8.36 3dlbB1 ARG 350 HA -0.07 0.17 1.09 -0.75 4.34 4.78 3dlbB1 ARG 350 HB2 -0.12 0.01 -0.10 -0.04 1.90 1.65 3dlbB1 ARG 350 HB3 -0.04 0.26 0.13 -0.04 1.80 2.11 3dlbB1 ARG 350 HG2 -0.03 -0.15 -0.16 -0.04 1.67 1.28 3dlbB1 ARG 350 HG3 -0.06 0.02 0.04 -0.04 1.67 1.63 3dlbB1 ARG 350 HD2 -0.12 0.15 -0.11 -0.04 3.22 3.10 3dlbB1 ARG 350 HD3 -0.06 -0.36 -0.31 -0.04 3.22 2.46 3dlbB1 LEU 351 H -0.02 0.64 0.25 -0.55 8.37 8.69 3dlbB1 LEU 351 HA 0.06 0.18 0.83 -0.75 4.35 4.67 3dlbB1 LEU 351 HB2 -0.02 0.06 0.24 -0.04 1.64 1.87 3dlbB1 LEU 351 HB3 -0.01 -0.03 0.26 -0.04 1.64 1.81 3dlbB1 LEU 351 HG -0.10 0.01 -0.25 -0.04 1.64 1.27 3dlbB1 LEU 351 HD13 -0.08 0.01 -0.10 -0.04 0.93 0.72 3dlbB1 LEU 351 HD23 -0.34 -0.01 0.02 -0.04 0.89 0.51 3dlbB1 ASP 352 H 0.00 0.13 -0.41 -0.55 8.40 7.58 3dlbB1 ASP 352 HA 0.01 0.17 0.75 -0.75 4.63 4.80 3dlbB1 ASP 352 HB2 0.00 0.02 -0.01 -0.04 2.71 2.68 3dlbB1 ASP 352 HB3 0.00 0.02 -0.18 -0.04 2.70 2.50 3dlbB1 GLY 353 H -0.01 0.03 -0.02 -0.55 8.43 7.88 3dlbB1 GLY 353 HA2 -0.00 0.25 0.81 -0.51 4.01 4.55 3dlbB1 GLY 353 HA3 -0.01 -0.06 0.36 -0.51 4.01 3.79 3dlbB1 ALA 354 H -0.02 0.09 0.06 -0.55 8.40 7.98 3dlbB1 ALA 354 HA -0.01 0.07 0.09 -0.75 4.34 3.75 3dlbB1 ALA 354 HB3 -0.01 0.05 0.08 -0.04 1.41 1.49 3dlbB1 GLY 356 HA2 0.14 -0.02 0.24 -0.51 4.01 3.86 3dlbB1 GLY 356 HA3 0.07 -0.03 0.19 -0.51 4.01 3.73 3dlbB1 TRP 357 H 0.48 0.10 0.05 -0.55 7.97 8.05 3dlbB1 TRP 357 HA -0.07 0.15 0.56 -0.75 4.62 4.51 3dlbB1 TRP 357 HB2 -0.07 -0.04 0.04 -0.04 3.23 3.12 3dlbB1 TRP 357 HB3 -0.09 0.01 0.01 -0.04 3.23 3.12 3dlbB1 TRP 357 HD1 -0.03 -0.07 -0.01 -0.04 7.22 7.07 3dlbB1 TRP 357 HE1 -0.00 0.23 -0.19 -0.04 10.20 10.20 3dlbB1 TRP 357 HE3 -0.02 -0.08 -0.12 -0.04 7.59 7.33 3dlbB1 TRP 357 HZ2 0.03 0.26 -0.01 -0.04 7.44 7.68 3dlbB1 TRP 357 HZ3 0.05 -0.03 -0.13 -0.04 7.13 6.98 3dlbB1 TRP 357 HH2 0.04 0.03 -0.21 -0.04 7.19 7.01 3dlbB1 PRO 358 HA -0.18 0.10 0.54 -0.51 4.44 4.39 3dlbB1 PRO 358 HB2 -0.86 -0.14 0.02 -0.04 2.28 1.25 3dlbB1 PRO 358 HB3 -0.53 0.05 0.12 -0.04 2.02 1.62 3dlbB1 PRO 358 HG2 -0.16 0.03 0.08 -0.04 2.03 1.94 3dlbB1 PRO 358 HG3 -0.15 0.08 0.07 -0.04 2.03 2.00 3dlbB1 PRO 358 HD2 -0.08 0.14 0.21 -0.04 3.68 3.91 3dlbB1 PRO 358 HD3 -0.08 0.25 -0.05 -0.04 3.65 3.73 3dlbB1 GLU 359 H -0.22 0.17 0.17 -0.55 8.60 8.17 3dlbB1 GLU 359 HA -0.10 0.16 0.39 -0.75 4.29 3.99 3dlbB1 GLU 359 HB2 -0.07 0.08 0.15 -0.04 2.09 2.21 3dlbB1 GLU 359 HB3 -0.07 -0.05 0.14 -0.04 1.99 1.96 3dlbB1 GLU 359 HG2 -0.01 0.03 -0.02 -0.04 2.34 2.29 3dlbB1 GLU 359 HG3 -0.02 -0.04 -0.16 -0.04 2.34 2.08 3dlbB1 PHE 360 H -0.51 0.12 -0.07 -0.55 8.34 7.34 3dlbB1 PHE 360 HA -0.10 0.11 0.41 -0.75 4.62 4.28 3dlbB1 PHE 360 HB2 -0.42 0.06 0.05 -0.04 3.15 2.79 3dlbB1 PHE 360 HB3 -0.19 0.03 0.07 -0.04 3.06 2.92 3dlbB1 PHE 360 HD2 -0.71 0.04 -0.27 -0.04 7.28 6.31 3dlbB1 PHE 360 HE2 -0.43 0.04 -0.07 -0.04 7.38 6.89 3dlbB1 PHE 360 HZ -0.25 0.04 -0.09 -0.04 7.32 6.97 3dlbB1 LEU 361 H -0.51 0.17 -0.58 -0.55 8.37 6.90 3dlbB1 LEU 361 HA 0.15 0.11 0.54 -0.75 4.35 4.40 3dlbB1 LEU 361 HB2 0.03 0.15 0.03 -0.04 1.64 1.82 3dlbB1 LEU 361 HB3 0.31 0.06 -0.07 -0.04 1.64 1.89 3dlbB1 LEU 361 HG -0.38 -0.12 -0.09 -0.04 1.64 1.01 3dlbB1 LEU 361 HD13 0.08 0.02 -0.03 -0.04 0.93 0.96 3dlbB1 LEU 361 HD23 0.36 0.01 -0.09 -0.04 0.89 1.13 3dlbB1 ARG 362 H -0.07 0.40 -0.07 -0.55 8.46 8.16 3dlbB1 ARG 362 HA -0.31 0.09 0.38 -0.75 4.34 3.74 3dlbB1 ARG 362 HB2 -0.13 0.03 0.02 -0.04 1.90 1.78 3dlbB1 ARG 362 HB3 -0.10 0.06 0.04 -0.04 1.80 1.76 3dlbB1 ARG 362 HG2 -0.16 -0.01 -0.14 -0.04 1.67 1.32 3dlbB1 ARG 362 HG3 -0.37 0.01 0.05 -0.04 1.67 1.32 3dlbB1 ARG 362 HD2 -0.17 -0.02 -0.01 -0.04 3.22 2.97 3dlbB1 ARG 362 HD3 -0.11 -0.02 -0.03 -0.04 3.22 3.02 3dlbB1 ARG 363 H -0.02 0.36 -0.33 -0.55 8.46 7.91 3dlbB1 ARG 363 HA -0.00 0.09 0.44 -0.75 4.34 4.11 3dlbB1 ARG 363 HB2 0.02 0.17 0.09 -0.04 1.90 2.14 3dlbB1 ARG 363 HB3 0.09 -0.01 0.12 -0.04 1.80 1.95 3dlbB1 ARG 363 HG2 0.06 0.01 -0.10 -0.04 1.67 1.59 3dlbB1 ARG 363 HG3 0.02 0.01 0.01 -0.04 1.67 1.67 3dlbB1 ARG 363 HD2 0.07 -0.04 -0.04 -0.04 3.22 3.17 3dlbB1 ARG 363 HD3 0.05 0.01 -0.04 -0.04 3.22 3.19 3dlbB1 ALA 364 H 0.17 0.42 -0.09 -0.55 8.40 8.35 3dlbB1 ALA 364 HA 0.17 0.03 0.36 -0.75 4.34 4.14 3dlbB1 ALA 364 HB3 0.43 0.02 0.10 -0.04 1.41 1.92 3dlbB1 LEU 365 H 0.14 0.43 -0.32 -0.55 8.37 8.07 3dlbB1 LEU 365 HA 0.29 0.02 0.31 -0.75 4.35 4.23 3dlbB1 LEU 365 HB2 -0.07 0.08 0.04 -0.04 1.64 1.64 3dlbB1 LEU 365 HB3 0.01 0.01 -0.07 -0.04 1.64 1.54 3dlbB1 LEU 365 HG 0.21 -0.04 0.02 -0.04 1.64 1.80 3dlbB1 LEU 365 HD13 -0.01 -0.00 -0.11 -0.04 0.93 0.76 3dlbB1 LEU 365 HD23 0.29 -0.01 -0.06 -0.04 0.89 1.07 3dlbB1 LEU 366 H 0.03 0.37 -0.41 -0.55 8.37 7.81 3dlbB1 LEU 366 HA 0.03 0.04 0.47 -0.75 4.35 4.13 3dlbB1 LEU 366 HB2 -0.01 0.13 0.27 -0.04 1.64 1.99 3dlbB1 LEU 366 HB3 -0.01 -0.09 0.05 -0.04 1.64 1.54 3dlbB1 LEU 366 HG -0.12 0.28 0.14 -0.04 1.64 1.89 3dlbB1 LEU 366 HD13 -0.08 -0.06 -0.03 -0.04 0.93 0.72 3dlbB1 LEU 366 HD23 -0.11 -0.02 0.01 -0.04 0.89 0.72 3dlbB1 ARG 367 H 0.06 0.71 0.04 -0.55 8.46 8.72 3dlbB1 ARG 367 HA 0.02 -0.03 0.39 -0.75 4.34 3.97 3dlbB1 ARG 367 HB2 0.05 -0.05 0.06 -0.04 1.90 1.92 3dlbB1 ARG 367 HB3 0.06 0.12 0.23 -0.04 1.80 2.17 3dlbB1 ARG 367 HG2 -0.00 0.01 0.01 -0.04 1.67 1.65 3dlbB1 ARG 367 HG3 0.02 -0.08 0.03 -0.04 1.67 1.60 3dlbB1 ARG 367 HD2 0.04 0.12 0.05 -0.04 3.22 3.40 3dlbB1 ARG 367 HD3 0.00 0.01 0.04 -0.04 3.22 3.24 3dlbB1 ALA 368 H 0.07 0.98 0.10 -0.55 8.40 9.00 3dlbB1 ALA 368 HA -0.20 0.02 0.15 -0.75 4.34 3.56 3dlbB1 ALA 368 HB3 -0.05 0.00 0.06 -0.04 1.41 1.39 3dlbB1 PHE 369 H 0.23 0.48 -0.35 -0.55 8.34 8.15 3dlbB1 PHE 369 HA -0.05 0.02 0.53 -0.75 4.62 4.37 3dlbB1 PHE 369 HB2 0.01 0.16 0.16 -0.04 3.15 3.43 3dlbB1 PHE 369 HB3 0.01 0.11 -0.05 -0.04 3.06 3.09 3dlbB1 PHE 369 HD2 0.10 0.17 -0.10 -0.04 7.28 7.41 3dlbB1 PHE 369 HE2 0.13 0.03 -0.04 -0.04 7.38 7.46 3dlbB1 PHE 369 HZ 0.06 -0.01 -0.08 -0.04 7.32 7.25 3dlbB1 GLY 370 H 0.06 0.64 -0.14 -0.55 8.43 8.44 3dlbB1 GLY 370 HA2 0.03 0.00 0.54 -0.51 4.01 4.08 3dlbB1 GLY 370 HA3 0.01 0.03 0.39 -0.51 4.01 3.92 3dlbB1 ALA 371 H -0.08 0.72 -0.08 -0.55 8.40 8.42 3dlbB1 ALA 371 HA -0.07 -0.03 0.28 -0.75 4.34 3.76 3dlbB1 ALA 371 HB3 -0.14 0.03 -0.15 -0.04 1.41 1.10 3dlbB1 SER 372 H -0.13 0.20 -1.11 -0.55 8.46 6.87 3dlbB1 SER 372 HA -0.14 0.21 0.93 -0.75 4.49 4.75 3dlbB1 SER 372 HB2 -0.29 0.02 0.08 -0.04 3.95 3.73 3dlbB1 SER 372 HB3 -0.14 -0.04 0.10 -0.04 3.93 3.80 3dlbB1 GLY 373 H -0.04 0.57 -0.03 -0.55 8.43 8.38 3dlbB1 GLY 373 HA2 0.01 -0.01 0.36 -0.51 4.01 3.86 3dlbB1 GLY 373 HA3 -0.01 -0.04 0.37 -0.51 4.01 3.82 3dlbB1 ALA 374 H 0.08 0.38 -0.21 -0.55 8.40 8.10 3dlbB1 ALA 374 HA 0.10 0.11 0.82 -0.75 4.34 4.61 3dlbB1 ALA 374 HB3 0.24 0.04 -0.04 -0.04 1.41 1.61 3dlbB1 SER 375 H 0.10 0.08 0.10 -0.55 8.46 8.19 3dlbB1 SER 375 HA 0.03 0.12 0.69 -0.75 4.49 4.57 3dlbB1 SER 375 HB2 -0.01 0.01 0.00 -0.04 3.95 3.91 3dlbB1 SER 375 HB3 0.02 0.01 0.05 -0.04 3.93 3.97 3dlbB1 LEU 376 H -0.10 0.17 0.17 -0.55 8.37 8.06 3dlbB1 LEU 376 HA -0.35 0.31 1.09 -0.75 4.35 4.65 3dlbB1 LEU 376 HB2 -1.44 0.05 -0.13 -0.04 1.64 0.08 3dlbB1 LEU 376 HB3 -0.34 -0.04 0.06 -0.04 1.64 1.28 3dlbB1 LEU 376 HG -0.38 -0.07 -0.50 -0.04 1.64 0.65 3dlbB1 LEU 376 HD13 -0.68 0.02 -0.07 -0.04 0.93 0.16 3dlbB1 LEU 376 HD23 -0.38 -0.01 -0.22 -0.04 0.89 0.24 3dlbB1 ARG 377 H -0.16 0.71 0.37 -0.55 8.46 8.82 3dlbB1 ARG 377 HA -0.16 0.11 0.91 -0.75 4.34 4.45 3dlbB1 ARG 377 HB2 -0.01 0.13 0.15 -0.04 1.90 2.14 3dlbB1 ARG 377 HB3 -0.07 -0.05 -0.04 -0.04 1.80 1.60 3dlbB1 ARG 377 HG2 -0.13 -0.03 0.03 -0.04 1.67 1.49 3dlbB1 ARG 377 HG3 -0.07 -0.01 -0.12 -0.04 1.67 1.42 3dlbB1 ARG 377 HD2 0.05 0.07 -0.06 -0.04 3.22 3.24 3dlbB1 ARG 377 HD3 0.00 0.00 -0.03 -0.04 3.22 3.15 3dlbB1 LEU 378 H -0.21 0.18 0.11 -0.55 8.37 7.90 3dlbB1 LEU 378 HA 0.03 0.35 1.10 -0.75 4.35 5.08 3dlbB1 LEU 378 HB2 -0.36 -0.06 0.16 -0.04 1.64 1.34 3dlbB1 LEU 378 HB3 -0.56 0.03 0.04 -0.04 1.64 1.10 3dlbB1 LEU 378 HG -0.99 -0.07 -0.05 -0.04 1.64 0.48 3dlbB1 LEU 378 HD13 -0.75 0.05 -0.03 -0.04 0.93 0.15 3dlbB1 LEU 378 HD23 -0.34 -0.04 -0.46 -0.04 0.89 0.01 3dlbB1 HIS 379 H 0.41 0.34 0.05 -0.55 8.41 8.67 3dlbB1 HIS 379 HA 0.11 0.14 0.70 -0.75 4.63 4.83 3dlbB1 HIS 379 HB2 0.12 -0.06 -0.07 -0.04 3.26 3.21 3dlbB1 HIS 379 HB3 0.07 0.00 0.08 -0.04 3.20 3.31 3dlbB1 HIS 379 HD2 0.05 -0.03 -0.30 -0.04 6.97 6.65 3dlbB1 HIS 379 HE1 -0.00 0.05 -0.02 -0.04 7.75 7.73 3dlbB1 THR 380 H 0.18 0.28 0.22 -0.55 8.28 8.42 3dlbB1 THR 380 HA 0.03 0.02 0.90 -0.75 4.39 4.59 3dlbB1 THR 380 HB 0.11 0.01 -0.06 -0.04 4.32 4.35 3dlbB1 THR 380 HG23 0.09 -0.01 0.04 -0.04 1.22 1.29 3dlbB1 LEU 381 H 0.00 1.01 0.41 -0.55 8.37 9.24 3dlbB1 LEU 381 HA 0.30 -0.02 0.74 -0.75 4.35 4.61 3dlbB1 LEU 381 HB2 0.01 0.11 0.45 -0.04 1.64 2.17 3dlbB1 LEU 381 HB3 0.03 -0.05 0.06 -0.04 1.64 1.64 3dlbB1 LEU 381 HG 0.03 -0.03 -0.25 -0.04 1.64 1.34 3dlbB1 LEU 381 HD13 -0.02 -0.00 -0.17 -0.04 0.93 0.69 3dlbB1 LEU 381 HD23 0.00 -0.00 -0.11 -0.04 0.89 0.73 3dlbB1 HIS 382 H 0.83 0.16 0.25 -0.55 8.41 9.11 3dlbB1 HIS 382 HA 0.03 0.13 0.40 -0.75 4.63 4.43 3dlbB1 HIS 382 HB2 0.02 -0.03 0.16 -0.04 3.26 3.38 3dlbB1 HIS 382 HB3 0.02 0.03 0.15 -0.04 3.20 3.36 3dlbB1 HIS 382 HD2 0.00 -0.02 0.02 -0.04 6.97 6.93 3dlbB1 HIS 382 HE1 -0.03 0.04 0.03 -0.04 7.75 7.73 3dlbB1 ALA 383 H 0.02 0.19 -0.49 -0.55 8.40 7.58 3dlbB1 ALA 383 HA 0.09 0.17 0.67 -0.75 4.34 4.51 3dlbB1 ALA 383 HB3 0.03 -0.01 -0.18 -0.04 1.41 1.21 3dlbB1 HIS 384 H 0.19 0.19 0.10 -0.55 8.41 8.34 3dlbB1 HIS 384 HA -0.01 0.27 0.81 -0.75 4.63 4.95 3dlbB1 HIS 384 HB2 -0.02 0.18 -0.09 -0.04 3.26 3.30 3dlbB1 HIS 384 HB3 -0.03 -0.05 0.05 -0.04 3.20 3.13 3dlbB1 HIS 384 HD2 -0.05 0.10 0.02 -0.04 6.97 7.00 3dlbB1 HIS 384 HE1 -0.11 0.02 -0.03 -0.04 7.75 7.59 3dlbB1 PRO 385 HA -1.25 0.04 0.33 -0.51 4.44 3.05 3dlbB1 PRO 385 HB2 -0.47 0.03 0.01 -0.04 2.28 1.81 3dlbB1 PRO 385 HB3 -0.59 0.05 0.06 -0.04 2.02 1.50 3dlbB1 PRO 385 HG2 -0.58 0.07 0.03 -0.04 2.03 1.51 3dlbB1 PRO 385 HG3 -1.33 0.07 0.04 -0.04 2.03 0.77 3dlbB1 PRO 385 HD2 -1.40 0.13 0.13 -0.04 3.68 2.51 3dlbB1 PRO 385 HD3 -0.54 0.23 0.16 -0.04 3.65 3.46 3dlbB1 SER 386 H 0.69 0.10 -0.50 -0.55 8.46 8.20 3dlbB1 SER 386 HA -0.01 0.10 0.44 -0.75 4.49 4.27 3dlbB1 SER 386 HB2 -0.03 0.01 0.18 -0.04 3.95 4.07 3dlbB1 SER 386 HB3 0.10 0.00 0.06 -0.04 3.93 4.05 3dlbB1 GLN 387 H 0.03 0.37 -0.48 -0.55 8.47 7.84 3dlbB1 GLN 387 HA 0.01 0.30 1.14 -0.75 4.36 5.05 3dlbB1 GLN 387 HB2 0.07 -0.11 0.01 -0.04 2.15 2.09 3dlbB1 GLN 387 HB3 0.03 -0.02 0.20 -0.04 2.02 2.19 3dlbB1 GLN 387 HG2 0.00 0.06 -0.11 -0.04 2.40 2.31 3dlbB1 GLN 387 HG3 0.06 0.15 -0.04 -0.04 2.39 2.51 3dlbB1 GLN 387 HE21 0.04 0.08 0.04 -0.04 6.97 7.09 3dlbB1 GLN 387 HE22 0.00 0.03 -0.01 -0.04 7.69 7.68 3dlbB1 GLY 388 H 0.00 0.29 -0.20 -0.55 8.43 7.98 3dlbB1 GLY 388 HA2 0.02 0.12 0.32 -0.51 4.01 3.96 3dlbB1 GLY 388 HA3 0.02 -0.00 0.29 -0.51 4.01 3.81 3dlbB1 LEU 389 H 0.02 0.16 0.21 -0.55 8.37 8.21 3dlbB1 LEU 389 HA 0.03 0.06 0.36 -0.75 4.35 4.05 3dlbB1 LEU 389 HB2 0.02 0.01 0.15 -0.04 1.64 1.77 3dlbB1 LEU 389 HB3 0.01 0.03 0.03 -0.04 1.64 1.67 3dlbB1 LEU 389 HG 0.01 -0.04 0.11 -0.04 1.64 1.68 3dlbB1 LEU 389 HD13 0.01 0.01 0.03 -0.04 0.93 0.94 3dlbB1 LEU 389 HD23 0.01 0.01 0.02 -0.04 0.89 0.89 3dlbB1 ALA 390 H 0.04 0.35 -0.13 -0.55 8.40 8.11 3dlbB1 ALA 390 HA 0.01 0.03 0.34 -0.75 4.34 3.97 3dlbB1 ALA 390 HB3 0.04 0.02 0.05 -0.04 1.41 1.47 3dlbB1 PHE 391 H 0.18 0.25 -0.45 -0.55 8.34 7.77 3dlbB1 PHE 391 HA -0.08 -0.02 0.19 -0.75 4.62 3.95 3dlbB1 PHE 391 HB2 -0.03 -0.04 -0.16 -0.04 3.15 2.88 3dlbB1 PHE 391 HB3 -0.04 0.10 0.03 -0.04 3.06 3.11 3dlbB1 PHE 391 HD2 -0.06 -0.04 -0.31 -0.04 7.28 6.83 3dlbB1 PHE 391 HE2 -0.08 0.07 -0.17 -0.04 7.38 7.15 3dlbB1 PHE 391 HZ -0.09 0.05 -0.12 -0.04 7.32 7.11 3dlbB1 ARG 392 H 0.12 0.27 -0.13 -0.55 8.46 8.17 3dlbB1 ARG 392 HA -0.16 0.07 0.31 -0.75 4.34 3.81 3dlbB1 ARG 392 HB2 0.05 -0.03 0.08 -0.04 1.90 1.96 3dlbB1 ARG 392 HB3 -0.00 0.10 0.09 -0.04 1.80 1.95 3dlbB1 ARG 392 HG2 -0.01 -0.04 -0.03 -0.04 1.67 1.56 3dlbB1 ARG 392 HG3 -0.04 0.01 -0.11 -0.04 1.67 1.49 3dlbB1 ARG 392 HD2 -0.05 0.05 0.01 -0.04 3.22 3.19 3dlbB1 ARG 392 HD3 0.01 -0.04 -0.00 -0.04 3.22 3.15 3dlbB1 GLU 393 H -0.04 0.48 -0.39 -0.55 8.60 8.10 3dlbB1 GLU 393 HA -0.05 -0.02 0.35 -0.75 4.29 3.82 3dlbB1 GLU 393 HB2 -0.01 -0.05 0.05 -0.04 2.09 2.03 3dlbB1 GLU 393 HB3 -0.03 0.32 0.28 -0.04 1.99 2.52 3dlbB1 GLU 393 HG2 0.00 -0.06 -0.03 -0.04 2.34 2.21 3dlbB1 GLU 393 HG3 -0.01 0.00 -0.36 -0.04 2.34 1.93 3dlbB1 ALA 394 H -0.16 0.74 0.07 -0.55 8.40 8.51 3dlbB1 ALA 394 HA -0.17 -0.05 0.41 -0.75 4.34 3.77 3dlbB1 ALA 394 HB3 -0.58 0.00 0.02 -0.04 1.41 0.81 3dlbB1 LEU 395 H -0.39 0.62 -0.15 -0.55 8.37 7.91 3dlbB1 LEU 395 HA -0.21 -0.05 0.30 -0.75 4.35 3.64 3dlbB1 LEU 395 HB2 -0.25 0.16 0.08 -0.04 1.64 1.60 3dlbB1 LEU 395 HB3 -0.20 0.06 -0.03 -0.04 1.64 1.43 3dlbB1 LEU 395 HG -0.97 0.08 -0.16 -0.04 1.64 0.55 3dlbB1 LEU 395 HD13 -0.31 -0.02 -0.19 -0.04 0.93 0.37 3dlbB1 LEU 395 HD23 -0.45 -0.03 -0.13 -0.04 0.89 0.24 3dlbB1 ARG 396 H -0.12 0.51 -0.17 -0.55 8.46 8.14 3dlbB1 ARG 396 HA -0.05 0.11 0.44 -0.75 4.34 4.08 3dlbB1 ARG 396 HB2 -0.05 0.03 0.11 -0.04 1.90 1.95 3dlbB1 ARG 396 HB3 -0.04 0.07 0.14 -0.04 1.80 1.93 3dlbB1 ARG 396 HG2 -0.02 -0.04 -0.16 -0.04 1.67 1.41 3dlbB1 ARG 396 HG3 -0.03 0.03 0.06 -0.04 1.67 1.69 3dlbB1 ARG 396 HD2 -0.01 -0.03 -0.02 -0.04 3.22 3.12 3dlbB1 ARG 396 HD3 -0.02 0.00 -0.01 -0.04 3.22 3.16 3dlbB1 LYS 397 H -0.03 0.52 -0.09 -0.55 8.42 8.28 3dlbB1 LYS 397 HA 0.01 0.01 0.48 -0.75 4.32 4.06 3dlbB1 ALA 398 H 0.03 0.70 0.02 -0.55 8.40 8.60 3dlbB1 ALA 398 HA -0.06 -0.06 0.32 -0.75 4.34 3.78 3dlbB1 ALA 398 HB3 0.02 0.00 0.02 -0.04 1.41 1.41 3dlbB1 LYS 399 H -0.05 0.60 -0.24 -0.55 8.42 8.17 3dlbB1 LYS 399 HA -0.04 0.17 0.44 -0.75 4.32 4.13 3dlbB1 LYS 399 HB2 -0.05 0.15 0.15 -0.04 1.87 2.08 3dlbB1 LYS 399 HB3 -0.03 -0.05 0.07 -0.04 1.79 1.74 3dlbB1 LYS 399 HG2 -0.02 0.07 0.06 -0.04 1.46 1.53 3dlbB1 LYS 399 HG3 -0.02 0.36 0.05 -0.04 1.46 1.81 3dlbB1 LYS 399 HD2 -0.01 -0.12 -0.11 -0.04 1.69 1.40 3dlbB1 LYS 399 HD3 -0.01 -0.04 0.03 -0.04 1.68 1.62 3dlbB1 LYS 399 HE2 -0.00 -0.06 -0.04 -0.04 2.99 2.84 3dlbB1 LYS 399 HE3 0.00 -0.14 0.01 -0.04 2.99 2.81 3dlbB1 GLU 400 H -0.03 0.45 -0.28 -0.55 8.60 8.20 3dlbB1 GLU 400 HA -0.01 0.00 0.47 -0.75 4.29 3.99 3dlbB1 GLU 400 HB2 -0.01 0.21 0.38 -0.04 2.09 2.63 3dlbB1 GLU 400 HB3 -0.01 -0.13 0.01 -0.04 1.99 1.83 3dlbB1 GLU 400 HG2 -0.01 -0.07 0.08 -0.04 2.34 2.30 3dlbB1 GLU 400 HG3 -0.01 0.10 0.08 -0.04 2.34 2.47 3dlbB1 GLU 401 H -0.04 0.51 -0.07 -0.55 8.60 8.45 3dlbB1 GLU 401 HA -0.01 0.02 0.43 -0.75 4.29 3.98 3dlbB1 GLU 401 HB2 -0.11 0.05 0.09 -0.04 2.09 2.08 3dlbB1 GLU 401 HB3 -0.04 -0.08 0.14 -0.04 1.99 1.97 3dlbB1 GLU 401 HG2 0.02 -0.02 0.03 -0.04 2.34 2.33 3dlbB1 GLU 401 HG3 -0.01 0.05 -0.02 -0.04 2.34 2.32 3dlbB1 GLY 402 H -0.04 0.39 -0.92 -0.55 8.43 7.32 3dlbB1 GLY 402 HA2 -0.01 0.05 0.26 -0.51 4.01 3.80 3dlbB1 GLY 402 HA3 0.00 0.03 0.65 -0.51 4.01 4.18 3dlbB1 VAL 403 H -0.15 0.36 -0.19 -0.55 8.24 7.71 3dlbB1 VAL 403 HA -0.05 -0.11 0.22 -0.75 4.13 3.43 3dlbB1 VAL 403 HB -0.08 0.09 -0.23 -0.04 2.12 1.86 3dlbB1 VAL 403 HG13 0.00 -0.07 -0.17 -0.04 0.97 0.69 3dlbB1 VAL 403 HG23 -0.34 -0.03 -0.10 -0.04 0.95 0.44 3dlbB1 GLN 404 H 0.03 0.63 0.46 -0.55 8.47 9.04 3dlbB1 GLN 404 HA 0.02 0.24 0.97 -0.75 4.36 4.84 3dlbB1 GLN 404 HB2 0.04 -0.07 0.22 -0.04 2.15 2.30 3dlbB1 GLN 404 HB3 0.03 0.07 0.29 -0.04 2.02 2.37 3dlbB1 GLN 404 HG2 0.02 0.02 0.03 -0.04 2.40 2.43 3dlbB1 GLN 404 HG3 0.02 0.13 0.26 -0.04 2.39 2.76 3dlbB1 GLN 404 HE21 0.03 0.03 0.11 -0.04 6.97 7.10 3dlbB1 GLN 404 HE22 0.02 -0.02 0.09 -0.04 7.69 7.74 3dlbB1 ALA 405 H 0.05 0.09 0.21 -0.55 8.40 8.20 3dlbB1 ALA 405 HA 0.07 0.24 0.37 -0.75 4.34 4.27 3dlbB1 ALA 405 HB3 0.05 0.03 -0.13 -0.04 1.41 1.33 3dlbB1 VAL 406 H 0.09 0.58 0.23 -0.55 8.24 8.60 3dlbB1 VAL 406 HA 0.07 0.36 1.21 -0.75 4.13 5.01 3dlbB1 VAL 406 HB 0.06 0.01 -0.02 -0.04 2.12 2.12 3dlbB1 VAL 406 HG13 0.00 -0.00 -0.26 -0.04 0.97 0.67 3dlbB1 VAL 406 HG23 0.02 -0.01 -0.32 -0.04 0.95 0.61 3dlbB1 LEU 407 H -0.00 0.55 0.38 -0.55 8.37 8.75 3dlbB1 LEU 407 HA 0.05 0.13 0.83 -0.75 4.35 4.60 3dlbB1 LEU 407 HB2 0.12 0.04 -0.01 -0.04 1.64 1.75 3dlbB1 LEU 407 HB3 -0.19 -0.01 0.12 -0.04 1.64 1.52 3dlbB1 LEU 407 HG -0.09 -0.06 -0.21 -0.04 1.64 1.24 3dlbB1 LEU 407 HD13 0.10 -0.01 -0.05 -0.04 0.93 0.93 3dlbB1 LEU 407 HD23 0.14 -0.01 -0.10 -0.04 0.89 0.88 3dlbB1 VAL 408 H 0.03 0.39 0.29 -0.55 8.24 8.39 3dlbB1 VAL 408 HA -0.05 0.34 1.25 -0.75 4.13 4.91 3dlbB1 VAL 408 HB 0.03 -0.00 0.14 -0.04 2.12 2.25 3dlbB1 VAL 408 HG13 -0.01 -0.01 -0.23 -0.04 0.97 0.67 3dlbB1 VAL 408 HG23 0.02 0.00 -0.30 -0.04 0.95 0.63 3dlbB1 LEU 409 H -0.08 0.36 0.21 -0.55 8.37 8.32 3dlbB1 LEU 409 HA 0.01 0.45 0.79 -0.75 4.35 4.84 3dlbB1 LEU 409 HB2 -0.08 -0.04 0.18 -0.04 1.64 1.67 3dlbB1 LEU 409 HB3 -0.03 -0.05 0.04 -0.04 1.64 1.56 3dlbB1 LEU 409 HG -0.09 -0.04 -0.09 -0.04 1.64 1.39 3dlbB1 LEU 409 HD13 -0.12 -0.00 -0.02 -0.04 0.93 0.74 3dlbB1 LEU 409 HD23 0.03 0.05 -0.06 -0.04 0.89 0.87 3dlbB1 THR 410 H 0.02 0.30 0.34 -0.55 8.28 8.39 3dlbB1 THR 410 HA -0.00 0.11 0.62 -0.75 4.39 4.36 3dlbB1 THR 410 HB -0.02 0.06 -0.33 -0.04 4.32 3.99 3dlbB1 THR 410 HG23 0.01 0.03 -0.23 -0.04 1.22 0.99 3dlbB1 PRO 411 HA 0.02 0.04 0.45 -0.51 4.44 4.45 3dlbB1 PRO 411 HB2 0.01 0.10 -0.02 -0.04 2.28 2.33 3dlbB1 PRO 411 HB3 0.01 0.00 0.12 -0.04 2.02 2.12 3dlbB1 PRO 411 HG2 0.01 -0.01 0.04 -0.04 2.03 2.03 3dlbB1 PRO 411 HG3 0.01 0.10 0.12 -0.04 2.03 2.22 3dlbB1 PRO 411 HD2 0.00 0.18 0.24 -0.04 3.68 4.07 3dlbB1 PRO 411 HD3 0.01 0.05 0.08 -0.04 3.65 3.76 3dlbB1 PRO 412 HA 0.04 0.00 0.45 -0.51 4.44 4.42 3dlbB1 PRO 412 HB2 0.03 0.02 0.12 -0.04 2.28 2.42 3dlbB1 PRO 412 HB3 0.04 0.03 0.05 -0.04 2.02 2.11 3dlbB1 PRO 412 HG2 0.03 0.05 0.09 -0.04 2.03 2.16 3dlbB1 PRO 412 HG3 0.04 0.02 0.08 -0.04 2.03 2.14 3dlbB1 PRO 412 HD2 0.03 0.12 0.19 -0.04 3.68 3.97 3dlbB1 PRO 412 HD3 0.03 0.06 0.23 -0.04 3.65 3.93 3dlbB1 MET 413 H 0.03 0.13 0.18 -0.55 8.47 8.27 3dlbB1 MET 413 HA 0.02 0.15 0.78 -0.75 4.52 4.71 3dlbB1 MET 413 HB2 -0.01 -0.08 -0.01 -0.04 2.15 2.01 3dlbB1 MET 413 HB3 -0.01 0.09 -0.04 -0.04 2.03 2.03 3dlbB1 MET 413 HG2 0.02 -0.00 0.07 -0.04 2.63 2.68 3dlbB1 MET 413 HG3 -0.00 -0.06 -0.12 -0.04 2.56 2.34 3dlbB1 MET 413 HE3 -0.06 -0.02 -0.24 -0.04 2.10 1.74 3dlbB1 ALA 414 H 0.03 0.13 0.13 -0.55 8.40 8.14 3dlbB1 ALA 414 HA 0.09 0.14 0.43 -0.75 4.34 4.26 3dlbB1 ALA 414 HB3 0.06 0.01 0.10 -0.04 1.41 1.53 3dlbB1 TRP 415 H 0.28 0.20 0.17 -0.55 7.97 8.08 3dlbB1 TRP 415 HA 0.01 0.12 0.37 -0.75 4.62 4.36 3dlbB1 TRP 415 HB2 -0.00 0.06 0.17 -0.04 3.23 3.43 3dlbB1 TRP 415 HB3 -0.01 -0.05 0.11 -0.04 3.23 3.24 3dlbB1 TRP 415 HD1 0.03 0.06 0.04 -0.04 7.22 7.31 3dlbB1 TRP 415 HE1 0.04 0.03 -0.03 -0.04 10.20 10.19 3dlbB1 TRP 415 HE3 -0.01 -0.06 -0.16 -0.04 7.59 7.31 3dlbB1 TRP 415 HZ2 0.03 0.01 -0.31 -0.04 7.44 7.13 3dlbB1 TRP 415 HZ3 0.02 0.18 -0.13 -0.04 7.13 7.16 3dlbB1 TRP 415 HH2 0.02 0.05 -0.25 -0.04 7.19 6.98 3dlbB1 GLU 416 H 0.26 0.06 -0.21 -0.55 8.60 8.16 3dlbB1 GLU 416 HA -0.07 0.12 0.35 -0.75 4.29 3.94 3dlbB1 GLU 416 HB2 0.06 -0.04 -0.02 -0.04 2.09 2.05 3dlbB1 GLU 416 HB3 0.05 0.08 -0.01 -0.04 1.99 2.06 3dlbB1 GLU 416 HG2 0.40 0.01 0.02 -0.04 2.34 2.72 3dlbB1 GLU 416 HG3 0.15 -0.06 0.04 -0.04 2.34 2.43 3dlbB1 ASP 417 H 0.00 0.13 -0.35 -0.55 8.40 7.64 3dlbB1 ASP 417 HA -0.06 0.08 0.43 -0.75 4.63 4.32 3dlbB1 ASP 417 HB2 -0.02 0.06 0.07 -0.04 2.71 2.78 3dlbB1 ASP 417 HB3 -0.05 0.02 -0.03 -0.04 2.70 2.60 3dlbB1 ARG 418 H -0.09 0.45 -0.19 -0.55 8.46 8.07 3dlbB1 ARG 418 HA -0.09 0.04 0.43 -0.75 4.34 3.97 3dlbB1 ARG 418 HB2 -0.09 0.01 -0.09 -0.04 1.90 1.69 3dlbB1 ARG 418 HB3 -0.04 -0.00 -0.01 -0.04 1.80 1.71 3dlbB1 ARG 418 HG2 -0.03 0.12 -0.14 -0.04 1.67 1.58 3dlbB1 ARG 418 HG3 -0.25 0.15 0.15 -0.04 1.67 1.68 3dlbB1 ARG 418 HD2 0.03 -0.00 -0.05 -0.04 3.22 3.16 3dlbB1 ARG 418 HD3 0.06 -0.04 -0.03 -0.04 3.22 3.17 3dlbB1 ASN 419 H -0.39 0.52 -0.07 -0.55 8.53 8.04 3dlbB1 ASN 419 HA -0.35 0.03 0.28 -0.75 4.76 3.97 3dlbB1 ASN 419 HB2 -0.47 0.07 0.08 -0.04 2.88 2.53 3dlbB1 ASN 419 HB3 -0.40 0.01 -0.05 -0.04 2.79 2.31 3dlbB1 ASN 419 HD21 -3.47 -0.09 -0.15 -0.04 7.03 3.27 3dlbB1 ASN 419 HD22 -1.64 -0.01 -0.13 -0.04 7.74 5.93 3dlbB1 ARG 420 H -0.18 0.36 -0.47 -0.55 8.46 7.63 3dlbB1 ARG 420 HA -0.12 0.02 0.30 -0.75 4.34 3.79 3dlbB1 ARG 420 HB2 -0.09 0.08 0.11 -0.04 1.90 1.96 3dlbB1 ARG 420 HB3 -0.10 0.15 0.11 -0.04 1.80 1.93 3dlbB1 ARG 420 HG2 -0.07 -0.05 -0.01 -0.04 1.67 1.50 3dlbB1 ARG 420 HG3 -0.06 -0.02 -0.01 -0.04 1.67 1.55 3dlbB1 ARG 420 HD2 -0.06 -0.03 -0.04 -0.04 3.22 3.05 3dlbB1 ARG 420 HD3 -0.09 0.03 -0.13 -0.04 3.22 2.99 3dlbB1 LEU 421 H -0.11 0.46 -0.07 -0.55 8.37 8.10 3dlbB1 LEU 421 HA -0.05 -0.02 0.47 -0.75 4.35 3.99 3dlbB1 LEU 421 HB2 -0.10 -0.01 0.10 -0.04 1.64 1.59 3dlbB1 LEU 421 HB3 -0.07 0.09 0.15 -0.04 1.64 1.77 3dlbB1 LEU 421 HG 0.01 0.02 -0.30 -0.04 1.64 1.33 3dlbB1 LEU 421 HD13 -0.01 -0.02 -0.01 -0.04 0.93 0.85 3dlbB1 LEU 421 HD23 -0.04 -0.00 -0.10 -0.04 0.89 0.70 3dlbB1 LYS 422 H -0.13 0.71 -0.09 -0.55 8.42 8.36 3dlbB1 LYS 422 HA -0.08 0.04 0.35 -0.75 4.32 3.87 3dlbB1 LYS 422 HB2 -0.29 0.12 0.01 -0.04 1.87 1.67 3dlbB1 LYS 422 HB3 -0.40 0.02 0.05 -0.04 1.79 1.41 3dlbB1 LYS 422 HG2 -0.01 -0.02 -0.10 -0.04 1.46 1.29 3dlbB1 LYS 422 HG3 -0.09 0.07 -0.06 -0.04 1.46 1.33 3dlbB1 LYS 422 HD2 -0.01 -0.09 -0.16 -0.04 1.69 1.38 3dlbB1 LYS 422 HD3 -0.22 -0.02 -0.18 -0.04 1.68 1.22 3dlbB1 LYS 422 HE2 -0.05 -0.02 -0.06 -0.04 2.99 2.82 3dlbB1 LYS 422 HE3 -0.53 0.06 -0.03 -0.04 2.99 2.46 3dlbB1 ALA 423 H -0.13 0.32 -0.71 -0.55 8.40 7.33 3dlbB1 ALA 423 HA -0.14 0.07 0.58 -0.75 4.34 4.09 3dlbB1 ALA 423 HB3 -0.11 0.07 0.06 -0.04 1.41 1.39 3dlbB1 LEU 424 H -0.03 0.40 0.04 -0.55 8.37 8.24 3dlbB1 LEU 424 HA 0.01 0.02 0.40 -0.75 4.35 4.03 3dlbB1 LEU 424 HB2 0.20 0.11 0.10 -0.04 1.64 2.01 3dlbB1 LEU 424 HB3 0.24 -0.07 -0.00 -0.04 1.64 1.76 3dlbB1 LEU 424 HG -0.00 0.19 0.05 -0.04 1.64 1.84 3dlbB1 LEU 424 HD13 -0.02 -0.03 -0.01 -0.04 0.93 0.83 3dlbB1 LEU 424 HD23 0.04 -0.02 -0.02 -0.04 0.89 0.85 3dlbB1 LEU 425 H -0.00 0.42 -0.34 -0.55 8.37 7.91 3dlbB1 LEU 425 HA -0.05 0.04 0.42 -0.75 4.35 4.01 3dlbB1 LEU 425 HB2 -0.01 0.01 0.06 -0.04 1.64 1.66 3dlbB1 LEU 425 HB3 0.01 0.27 -0.06 -0.04 1.64 1.82 3dlbB1 LEU 425 HG 0.08 -0.02 -0.09 -0.04 1.64 1.56 3dlbB1 LEU 425 HD13 0.05 -0.02 -0.19 -0.04 0.93 0.73 3dlbB1 LEU 425 HD23 -0.04 -0.01 -0.13 -0.04 0.89 0.67 3dlbB1 LEU 426 H -0.08 0.47 -0.23 -0.55 8.37 7.99 3dlbB1 LEU 426 HA -0.03 -0.03 0.23 -0.75 4.35 3.77 3dlbB1 LEU 426 HB2 -0.15 0.16 0.32 -0.04 1.64 1.92 3dlbB1 LEU 426 HB3 -0.10 -0.07 -0.03 -0.04 1.64 1.40 3dlbB1 LEU 426 HG -0.28 0.08 0.04 -0.04 1.64 1.45 3dlbB1 LEU 426 HD13 -0.30 0.01 -0.02 -0.04 0.93 0.58 3dlbB1 LEU 426 HD23 0.00 -0.04 -0.06 -0.04 0.89 0.75 3dlbB1 ARG 427 H -0.04 0.35 -0.69 -0.55 8.46 7.53 3dlbB1 ARG 427 HA -0.03 0.05 0.51 -0.75 4.34 4.12 3dlbB1 ARG 427 HB2 -0.03 0.28 0.08 -0.04 1.90 2.19 3dlbB1 ARG 427 HB3 -0.03 -0.01 -0.12 -0.04 1.80 1.60 3dlbB1 ARG 427 HG2 -0.02 -0.05 0.06 -0.04 1.67 1.62 3dlbB1 ARG 427 HG3 -0.03 -0.02 0.01 -0.04 1.67 1.59 3dlbB1 ARG 427 HD2 -0.02 0.01 -0.02 -0.04 3.22 3.16 3dlbB1 ARG 427 HD3 -0.02 -0.08 -0.02 -0.04 3.22 3.06 3dlbB1 GLU 428 H -0.03 0.54 -0.41 -0.55 8.60 8.15 3dlbB1 GLU 428 HA -0.03 0.08 0.70 -0.75 4.29 4.29 3dlbB1 GLU 428 HB2 -0.07 0.15 0.05 -0.04 2.09 2.17 3dlbB1 GLU 428 HB3 -0.07 -0.02 -0.01 -0.04 1.99 1.85 3dlbB1 GLU 428 HG2 -0.06 0.01 -0.17 -0.04 2.34 2.08 3dlbB1 GLU 428 HG3 -0.13 -0.09 -0.02 -0.04 2.34 2.06 3dlbB1 GLY 429 H -0.01 0.10 -0.68 -0.55 8.43 7.29 3dlbB1 GLY 429 HA2 0.01 0.07 0.25 -0.51 4.01 3.83 3dlbB1 GLY 429 HA3 0.01 -0.01 0.28 -0.51 4.01 3.78 3dlbB1 LEU 430 H 0.01 0.22 -0.33 -0.55 8.37 7.72 3dlbB1 LEU 430 HA 0.05 0.34 0.92 -0.75 4.35 4.91 3dlbB1 LEU 430 HB2 -0.01 -0.08 -0.07 -0.04 1.64 1.43 3dlbB1 LEU 430 HB3 0.02 -0.07 -0.16 -0.04 1.64 1.39 3dlbB1 LEU 430 HG -0.03 0.31 -0.48 -0.04 1.64 1.41 3dlbB1 LEU 430 HD13 -0.07 -0.05 -0.12 -0.04 0.93 0.66 3dlbB1 LEU 430 HD23 -0.00 0.02 -0.15 -0.04 0.89 0.72 3dlbB1 PRO 431 HA 0.59 0.01 0.44 -0.51 4.44 4.97 3dlbB1 PRO 431 HB2 0.11 0.03 0.00 -0.04 2.28 2.38 3dlbB1 PRO 431 HB3 0.23 -0.04 0.12 -0.04 2.02 2.28 3dlbB1 PRO 431 HG2 0.11 0.26 0.11 -0.04 2.03 2.47 3dlbB1 PRO 431 HG3 0.22 -0.09 0.01 -0.04 2.03 2.14 3dlbB1 PRO 431 HD2 0.08 0.32 0.12 -0.04 3.68 4.16 3dlbB1 PRO 431 HD3 0.09 0.19 -0.21 -0.04 3.65 3.67 3dlbB1 SER 432 H 1.46 0.21 0.22 -0.55 8.46 9.81 3dlbB1 SER 432 HA 0.17 0.14 0.74 -0.75 4.49 4.79 3dlbB1 SER 432 HB2 0.14 0.02 0.01 -0.04 3.95 4.08 3dlbB1 SER 432 HB3 0.16 0.14 -0.34 -0.04 3.93 3.84 3dlbB1 GLN 433 H 0.11 0.66 0.36 -0.55 8.47 9.06 3dlbB1 GLN 433 HA 0.12 0.12 0.81 -0.75 4.36 4.66 3dlbB1 GLN 433 HB2 0.01 0.04 -0.14 -0.04 2.15 2.02 3dlbB1 GLN 433 HB3 0.07 -0.05 0.11 -0.04 2.02 2.11 3dlbB1 GLN 433 HG2 0.07 0.38 0.10 -0.04 2.40 2.90 3dlbB1 GLN 433 HG3 0.09 -0.09 -0.19 -0.04 2.39 2.16 3dlbB1 GLN 433 HE21 0.05 0.02 0.01 -0.04 6.97 7.00 3dlbB1 GLN 433 HE22 0.10 -0.01 -0.03 -0.04 7.69 7.70 3dlbB1 ILE 434 H 0.13 0.19 0.09 -0.55 8.25 8.11 3dlbB1 ILE 434 HA 0.07 0.23 1.17 -0.75 4.18 4.90 3dlbB1 ILE 434 HB 0.10 -0.02 0.10 -0.04 1.89 2.03 3dlbB1 ILE 434 HG12 0.03 -0.05 -0.08 -0.04 1.49 1.35 3dlbB1 ILE 434 HG13 0.04 0.09 -0.04 -0.04 1.21 1.26 3dlbB1 ILE 434 HG23 0.06 -0.00 -0.18 -0.04 0.93 0.77 3dlbB1 ILE 434 HD13 0.08 -0.01 -0.29 -0.04 0.88 0.61 3dlbB1 LEU 435 H 0.06 0.49 0.15 -0.55 8.37 8.53 3dlbB1 LEU 435 HA 0.11 0.10 0.79 -0.75 4.35 4.60 3dlbB1 LEU 435 HB2 0.11 -0.03 -0.05 -0.04 1.64 1.63 3dlbB1 LEU 435 HB3 0.09 -0.05 -0.02 -0.04 1.64 1.63 3dlbB1 LEU 435 HG 0.19 -0.02 -0.08 -0.04 1.64 1.69 3dlbB1 LEU 435 HD13 0.23 -0.02 -0.10 -0.04 0.93 1.01 3dlbB1 LEU 435 HD23 0.18 0.02 -0.08 -0.04 0.89 0.97 3dlbB1 ASN 436 H 0.09 0.15 0.08 -0.55 8.53 8.30 3dlbB1 ASN 436 HA 0.05 0.27 0.52 -0.75 4.76 4.85 3dlbB1 ASN 436 HB2 0.07 -0.05 0.13 -0.04 2.88 2.99 3dlbB1 ASN 436 HB3 0.05 0.02 -0.00 -0.04 2.79 2.82 3dlbB1 ASN 436 HD21 0.05 -0.10 -0.05 -0.04 7.03 6.89 3dlbB1 ASN 436 HD22 0.04 0.39 -0.15 -0.04 7.74 7.98 3dlbB1 VAL 437 H 0.03 0.38 0.10 -0.55 8.24 8.21 3dlbB1 VAL 437 HA 0.04 0.04 0.22 -0.75 4.13 3.68 3dlbB1 VAL 437 HB 0.01 -0.05 -0.22 -0.04 2.12 1.82 3dlbB1 VAL 437 HG13 0.02 0.02 -0.33 -0.04 0.97 0.64 3dlbB1 VAL 437 HG23 0.00 -0.03 -0.06 -0.04 0.95 0.83 3dlbB1 PRO 438 HA 0.04 0.07 0.51 -0.51 4.44 4.54 3dlbB1 PRO 438 HB2 0.04 0.02 0.14 -0.04 2.28 2.44 3dlbB1 PRO 438 HB3 0.03 0.02 0.09 -0.04 2.02 2.12 3dlbB1 PRO 438 HG2 0.05 0.04 -0.06 -0.04 2.03 2.02 3dlbB1 PRO 438 HG3 0.03 0.05 0.03 -0.04 2.03 2.10 3dlbB1 PRO 438 HD2 0.04 0.03 -0.41 -0.04 3.68 3.31 3dlbB1 PRO 438 HD3 0.03 0.06 -0.02 -0.04 3.65 3.69 3dlbB1 LEU 439 H 0.06 1.32 0.11 -0.55 8.37 9.31 3dlbB1 LEU 439 HA 0.11 0.05 0.23 -0.75 4.35 3.99 3dlbB1 LEU 439 HB2 0.20 -0.10 -0.07 -0.04 1.64 1.63 3dlbB1 LEU 439 HB3 0.11 0.06 0.06 -0.04 1.64 1.83 3dlbB1 LEU 439 HG 0.08 -0.02 0.19 -0.04 1.64 1.85 3dlbB1 LEU 439 HD13 0.23 -0.06 0.01 -0.04 0.93 1.06 3dlbB1 LEU 439 HD23 0.02 0.08 0.12 -0.04 0.89 1.07 3dlbB1 ARG 440 H 0.10 0.20 0.14 -0.55 8.46 8.35 3dlbB1 ARG 440 HA 0.05 0.35 1.57 -0.75 4.34 5.56 3dlbB1 ARG 440 HB2 0.05 0.15 0.05 -0.04 1.90 2.10 3dlbB1 ARG 440 HB3 0.07 -0.01 0.19 -0.04 1.80 2.01 3dlbB1 ARG 440 HG2 0.04 0.08 -0.05 -0.04 1.67 1.70 3dlbB1 ARG 440 HG3 0.05 -0.15 -0.27 -0.04 1.67 1.25 3dlbB1 ARG 440 HD2 0.02 -0.08 -0.06 -0.04 3.22 3.06 3dlbB1 ARG 440 HD3 0.01 0.13 -0.23 -0.04 3.22 3.09 3dlbB1 GLU 441 H -0.02 0.36 -0.06 -0.55 8.60 8.34 3dlbB1 GLU 441 HA -0.66 0.05 0.22 -0.75 4.29 3.15 3dlbB1 GLU 441 HB2 -0.10 0.09 0.14 -0.04 2.09 2.18 3dlbB1 GLU 441 HB3 -0.12 -0.08 0.13 -0.04 1.99 1.88 3dlbB1 GLU 441 HG2 -2.15 -0.03 -0.01 -0.04 2.34 0.10 3dlbB1 GLU 441 HG3 -0.28 0.01 0.00 -0.04 2.34 2.03 3dlbB1 GLU 442 H -0.01 0.13 -0.07 -0.55 8.60 8.10 3dlbB1 GLU 442 HA 0.05 0.03 0.31 -0.75 4.29 3.92 3dlbB1 GLU 442 HB2 0.03 0.03 0.11 -0.04 2.09 2.22 3dlbB1 GLU 442 HB3 0.02 -0.01 0.10 -0.04 1.99 2.06 3dlbB1 GLU 442 HG2 0.03 -0.09 -0.17 -0.04 2.34 2.07 3dlbB1 GLU 442 HG3 0.03 0.05 -0.29 -0.04 2.34 2.09 3dlbB1 GLU 443 H 0.11 0.49 -1.19 -0.55 8.60 7.46 3dlbB1 GLU 443 HA 0.07 0.07 0.79 -0.75 4.29 4.47 3dlbB1 ARG 444 H 0.07 0.32 -0.17 -0.55 8.46 8.13 3dlbB1 ARG 444 HA -0.76 0.03 0.35 -0.75 4.34 3.21 3dlbB1 ARG 444 HB2 -0.08 0.05 0.10 -0.04 1.90 1.93 3dlbB1 ARG 444 HB3 -0.34 0.01 -0.11 -0.04 1.80 1.31 3dlbB1 ARG 444 HG2 -0.49 -0.02 -0.02 -0.04 1.67 1.10 3dlbB1 ARG 444 HG3 0.34 0.05 -0.03 -0.04 1.67 1.99 3dlbB1 ARG 444 HD2 0.02 0.03 -0.01 -0.04 3.22 3.22 3dlbB1 ARG 444 HD3 -0.04 0.01 -0.04 -0.04 3.22 3.11 3dlbB1 HIS 445 H 0.00 0.13 -0.16 -0.55 8.41 7.84 3dlbB1 HIS 445 HA -0.18 0.04 0.33 -0.75 4.63 4.07 3dlbB1 HIS 445 HB2 -0.09 0.01 0.10 -0.04 3.26 3.25 3dlbB1 HIS 445 HB3 -0.07 -0.03 0.04 -0.04 3.20 3.10 3dlbB1 HIS 445 HD2 -0.07 0.00 0.02 -0.04 6.97 6.87 3dlbB1 HIS 445 HE1 -0.29 0.04 -0.02 -0.04 7.75 7.44 3dlbB1 ARG 446 H 0.07 0.17 -0.37 -0.55 8.46 7.78 3dlbB1 ARG 446 HA 0.08 0.06 0.37 -0.75 4.34 4.10 3dlbB1 ARG 446 HB2 0.13 0.17 0.21 -0.04 1.90 2.37 3dlbB1 ARG 446 HB3 0.19 -0.03 0.06 -0.04 1.80 1.98 3dlbB1 ARG 446 HG2 0.07 0.00 0.05 -0.04 1.67 1.74 3dlbB1 ARG 446 HG3 0.03 0.00 0.05 -0.04 1.67 1.71 3dlbB1 ARG 446 HD2 0.12 -0.03 0.00 -0.04 3.22 3.27 3dlbB1 ARG 446 HD3 0.08 0.02 0.03 -0.04 3.22 3.30 3dlbB1 TRP 447 H 0.31 0.35 0.08 -0.55 7.97 8.15 3dlbB1 TRP 447 HA 0.11 0.00 0.39 -0.75 4.62 4.37 3dlbB1 TRP 447 HB2 0.20 -0.02 0.01 -0.04 3.23 3.37 3dlbB1 TRP 447 HB3 0.13 -0.01 0.02 -0.04 3.23 3.34 3dlbB1 TRP 447 HD1 -0.06 0.20 -0.15 -0.04 7.22 7.16 3dlbB1 TRP 447 HE1 -0.23 0.17 -0.12 -0.04 10.20 9.98 3dlbB1 TRP 447 HE3 0.20 -0.03 -0.26 -0.04 7.59 7.46 3dlbB1 TRP 447 HZ2 -0.12 -0.01 -0.07 -0.04 7.44 7.20 3dlbB1 TRP 447 HZ3 0.16 0.02 -0.04 -0.04 7.13 7.22 3dlbB1 TRP 447 HH2 0.07 0.01 -0.03 -0.04 7.19 7.20 3dlbB1 GLU 448 H -0.73 0.77 -0.19 -0.55 8.60 7.90 3dlbB1 GLU 448 HA -0.39 0.03 0.44 -0.75 4.29 3.62 3dlbB1 GLU 448 HB2 -0.40 0.13 -0.01 -0.04 2.09 1.76 3dlbB1 GLU 448 HB3 -0.34 -0.06 0.01 -0.04 1.99 1.56 3dlbB1 GLU 448 HG2 -1.45 -0.04 -0.02 -0.04 2.34 0.79 3dlbB1 GLU 448 HG3 -1.12 0.10 -0.01 -0.04 2.34 1.28 3dlbB1 ASN 449 H -0.08 0.46 -0.21 -0.55 8.53 8.16 3dlbB1 ASN 449 HA 0.04 0.01 0.55 -0.75 4.76 4.61 3dlbB1 ASN 449 HB2 0.09 0.23 0.30 -0.04 2.88 3.46 3dlbB1 ASN 449 HB3 0.30 -0.04 0.04 -0.04 2.79 3.05 3dlbB1 ASN 449 HD21 -0.29 -0.10 0.03 -0.04 7.03 6.63 3dlbB1 ASN 449 HD22 -0.03 -0.04 0.01 -0.04 7.74 7.64 3dlbB1 ALA 450 H 0.14 0.57 0.08 -0.55 8.40 8.63 3dlbB1 ALA 450 HA 0.12 0.02 0.32 -0.75 4.34 4.05 3dlbB1 ALA 450 HB3 0.20 0.01 0.00 -0.04 1.41 1.59 3dlbB1 LEU 451 H 0.16 0.41 -0.49 -0.55 8.37 7.90 3dlbB1 LEU 451 HA 0.16 0.02 0.41 -0.75 4.35 4.18 3dlbB1 LEU 451 HB2 0.17 0.16 0.08 -0.04 1.64 2.01 3dlbB1 LEU 451 HB3 0.18 -0.01 -0.11 -0.04 1.64 1.67 3dlbB1 LEU 451 HG 0.31 -0.01 -0.03 -0.04 1.64 1.87 3dlbB1 LEU 451 HD13 0.38 0.04 -0.07 -0.04 0.93 1.25 3dlbB1 LEU 451 HD23 0.50 0.00 -0.04 -0.04 0.89 1.32 3dlbB1 LEU 452 H 0.03 0.40 -0.14 -0.55 8.37 8.11 3dlbB1 LEU 452 HA -0.06 0.02 0.40 -0.75 4.35 3.95 3dlbB1 LEU 452 HB2 -0.00 0.14 0.21 -0.04 1.64 1.95 3dlbB1 LEU 452 HB3 -0.08 -0.03 -0.01 -0.04 1.64 1.48 3dlbB1 LEU 452 HG -0.01 0.21 0.05 -0.04 1.64 1.85 3dlbB1 LEU 452 HD13 -0.02 -0.05 -0.15 -0.04 0.93 0.67 3dlbB1 LEU 452 HD23 -0.00 0.00 -0.10 -0.04 0.89 0.74 3dlbB1 GLY 453 H -0.03 0.53 -0.21 -0.55 8.43 8.17 3dlbB1 GLY 453 HA2 -0.26 0.03 0.33 -0.51 4.01 3.59 3dlbB1 GLY 453 HA3 -0.13 0.06 0.25 -0.51 4.01 3.68 3dlbB1 LEU 454 H -0.01 0.49 -0.13 -0.55 8.37 8.18 3dlbB1 LEU 454 HA -0.03 0.01 0.22 -0.75 4.35 3.80 3dlbB1 LEU 454 HB2 0.08 -0.01 0.05 -0.04 1.64 1.72 3dlbB1 LEU 454 HB3 0.09 0.09 0.11 -0.04 1.64 1.89 3dlbB1 LEU 454 HG 0.19 -0.07 -0.15 -0.04 1.64 1.58 3dlbB1 LEU 454 HD13 0.12 0.00 -0.39 -0.04 0.93 0.63 3dlbB1 LEU 454 HD23 0.10 0.00 -0.36 -0.04 0.89 0.60 3dlbB1 LEU 455 H -0.05 0.61 -0.33 -0.55 8.37 8.06 3dlbB1 LEU 455 HA -0.04 0.03 0.38 -0.75 4.35 3.97 3dlbB1 LEU 455 HB2 -0.22 0.08 0.11 -0.04 1.64 1.58 3dlbB1 LEU 455 HB3 -0.37 -0.06 -0.03 -0.04 1.64 1.14 3dlbB1 LEU 455 HG 0.04 0.22 0.03 -0.04 1.64 1.89 3dlbB1 LEU 455 HD13 -0.10 -0.04 -0.14 -0.04 0.93 0.61 3dlbB1 LEU 455 HD23 0.20 -0.01 -0.10 -0.04 0.89 0.93 3dlbB1 ALA 456 H -0.24 0.68 -0.01 -0.55 8.40 8.29 3dlbB1 ALA 456 HA -0.21 0.26 0.53 -0.75 4.34 4.16 3dlbB1 ALA 456 HB3 -0.66 -0.04 0.13 -0.04 1.41 0.80 3dlbB1 LYS 457 H -0.21 0.73 -0.12 -0.55 8.42 8.26 3dlbB1 LYS 457 HA -0.13 0.07 0.44 -0.75 4.32 3.94 3dlbB1 LYS 457 HB2 -0.18 0.07 0.01 -0.04 1.87 1.72 3dlbB1 LYS 457 HB3 -0.18 -0.07 -0.01 -0.04 1.79 1.49 3dlbB1 LYS 457 HG2 -0.71 -0.02 0.01 -0.04 1.46 0.69 3dlbB1 LYS 457 HG3 -0.44 0.01 -0.00 -0.04 1.46 1.00 3dlbB1 LYS 457 HD2 -0.37 -0.05 -0.30 -0.04 1.69 0.92 3dlbB1 LYS 457 HD3 -1.24 -0.08 0.02 -0.04 1.68 0.34 3dlbB1 LYS 457 HE2 -1.72 -0.06 0.05 -0.04 2.99 1.22 3dlbB1 LYS 457 HE3 -0.56 -0.07 -0.04 -0.04 2.99 2.27 3dlbB1 ALA 458 H -0.06 0.30 -0.34 -0.55 8.40 7.75 3dlbB1 ALA 458 HA 0.02 0.27 0.49 -0.75 4.34 4.36 3dlbB1 ALA 458 HB3 0.03 -0.04 0.03 -0.04 1.41 1.39 3dlbB1 GLY 459 H -0.05 0.26 -0.58 -0.55 8.43 7.52 3dlbB1 GLY 459 HA2 -0.01 0.02 0.22 -0.51 4.01 3.73 3dlbB1 GLY 459 HA3 0.00 0.15 0.83 -0.51 4.01 4.48 3dlbB1 LEU 460 H -0.07 0.47 0.05 -0.55 8.37 8.26 3dlbB1 LEU 460 HA -0.05 0.09 0.46 -0.75 4.35 4.11 3dlbB1 LEU 460 HB2 -0.28 -0.02 -0.10 -0.04 1.64 1.20 3dlbB1 LEU 460 HB3 -0.39 0.01 -0.15 -0.04 1.64 1.07 3dlbB1 LEU 460 HG 0.00 0.03 -0.18 -0.04 1.64 1.45 3dlbB1 LEU 460 HD13 -0.03 -0.02 -0.04 -0.04 0.93 0.80 3dlbB1 LEU 460 HD23 0.01 0.02 -0.06 -0.04 0.89 0.81 3dlbB1 GLN 461 H -0.00 0.28 0.03 -0.55 8.47 8.23 3dlbB1 GLN 461 HA -0.00 0.08 0.62 -0.75 4.36 4.30 3dlbB1 GLN 461 HB2 0.14 -0.01 0.16 -0.04 2.15 2.40 3dlbB1 GLN 461 HB3 0.19 -0.02 -0.02 -0.04 2.02 2.13 3dlbB1 GLN 461 HG2 0.06 0.05 0.00 -0.04 2.40 2.47 3dlbB1 GLN 461 HG3 0.05 0.05 -0.11 -0.04 2.39 2.34 3dlbB1 GLN 461 HE21 0.13 -0.04 -0.01 -0.04 6.97 7.01 3dlbB1 GLN 461 HE22 0.11 -0.00 -0.01 -0.04 7.69 7.75 3dlbB1 VAL 462 H -0.13 0.26 -0.10 -0.55 8.24 7.72 3dlbB1 VAL 462 HA -0.06 0.04 0.43 -0.75 4.13 3.78 3dlbB1 VAL 462 HB -0.11 -0.04 0.12 -0.04 2.12 2.06 3dlbB1 VAL 462 HG13 0.10 -0.01 -0.18 -0.04 0.97 0.85 3dlbB1 VAL 462 HG23 -0.49 0.02 -0.08 -0.04 0.95 0.36 3dlbB1 VAL 463 H -0.01 0.12 0.03 -0.55 8.24 7.83 3dlbB1 VAL 463 HA 0.05 0.47 0.99 -0.75 4.13 4.89 3dlbB1 VAL 463 HB -0.02 -0.06 -0.04 -0.04 2.12 1.96 3dlbB1 VAL 463 HG13 -0.03 0.00 -0.24 -0.04 0.97 0.65 3dlbB1 VAL 463 HG23 0.03 -0.03 -0.26 -0.04 0.95 0.64 3dlbB1 ALA 464 H -0.19 0.58 0.34 -0.55 8.40 8.59 3dlbB1 ALA 464 HA -0.31 0.18 0.81 -0.75 4.34 4.26 3dlbB1 ALA 464 HB3 -1.14 0.00 0.01 -0.04 1.41 0.24 3dlbB1 LEU 465 H -0.09 0.33 0.15 -0.55 8.37 8.21 3dlbB1 LEU 465 HA -0.03 0.23 0.85 -0.75 4.35 4.64 3dlbB1 LEU 465 HB2 -0.00 0.05 0.02 -0.04 1.64 1.66 3dlbB1 LEU 465 HB3 0.10 -0.07 0.21 -0.04 1.64 1.83 3dlbB1 LEU 465 HG 0.06 0.02 -0.08 -0.04 1.64 1.59 3dlbB1 LEU 465 HD13 0.30 -0.01 -0.26 -0.04 0.93 0.91 3dlbB1 LEU 465 HD23 -0.08 -0.00 -0.13 -0.04 0.89 0.65 3dlbB1 SER 466 H -0.01 0.54 0.22 -0.55 8.46 8.65 3dlbB1 SER 466 HA -0.02 0.00 0.46 -0.75 4.49 4.17 3dlbB1 SER 466 HB2 -0.01 -0.01 0.03 -0.04 3.95 3.92 3dlbB1 SER 466 HB3 -0.01 0.04 0.09 -0.04 3.93 4.01 3dlbB1 GLY 467 H -0.10 0.13 0.20 -0.55 8.43 8.12 3dlbB1 GLY 467 HA2 -0.03 0.25 1.05 -0.51 4.01 4.78 3dlbB1 GLY 467 HA3 -0.59 0.04 0.19 -0.51 4.01 3.14 3dlbB1 ALA 468 H -0.55 0.18 -0.06 -0.55 8.40 7.42 3dlbB1 ALA 468 HA -0.25 0.12 0.49 -0.75 4.34 3.94 3dlbB1 ALA 468 HB3 -0.11 0.02 0.01 -0.04 1.41 1.29 3dlbB1 TYR 469 H -0.67 0.23 0.01 -0.55 8.29 7.31 3dlbB1 TYR 469 HA -0.07 0.25 0.96 -0.75 4.56 4.95 3dlbB1 TYR 469 HB2 -0.04 -0.07 -0.11 -0.04 3.06 2.80 3dlbB1 TYR 469 HB3 -0.08 0.06 -0.01 -0.04 2.98 2.91 3dlbB1 TYR 469 HD2 -0.06 0.09 -0.20 -0.04 7.15 6.94 3dlbB1 TYR 469 HE2 0.07 0.04 -0.20 -0.04 6.85 6.72 3dlbB1 PRO 470 HA 0.02 0.11 0.37 -0.51 4.44 4.43 3dlbB1 PRO 470 HB2 0.00 0.02 -0.13 -0.04 2.28 2.13 3dlbB1 PRO 470 HB3 -0.00 0.02 0.01 -0.04 2.02 2.01 3dlbB1 PRO 470 HG2 0.01 0.01 -0.07 -0.04 2.03 1.94 3dlbB1 PRO 470 HG3 -0.02 -0.01 -0.08 -0.04 2.03 1.88 3dlbB1 PRO 470 HD2 0.09 0.15 0.15 -0.04 3.68 4.02 3dlbB1 PRO 470 HD3 0.02 0.14 0.09 -0.04 3.65 3.86 3dlbB1 ALA 471 H 0.08 0.10 -0.28 -0.55 8.40 7.76 3dlbB1 ALA 471 HA 0.02 0.17 0.69 -0.75 4.34 4.47 3dlbB1 ALA 471 HB3 -0.00 0.01 -0.23 -0.04 1.41 1.15 3dlbB1 GLU 472 H -0.01 0.30 0.18 -0.55 8.60 8.52 3dlbB1 GLU 472 HA 0.06 0.15 0.56 -0.75 4.29 4.31 3dlbB1 GLU 472 HB2 -0.08 -0.01 -0.01 -0.04 2.09 1.95 3dlbB1 GLU 472 HB3 0.10 0.05 0.11 -0.04 1.99 2.21 3dlbB1 GLU 472 HG2 0.05 0.10 0.00 -0.04 2.34 2.44 3dlbB1 GLU 472 HG3 0.01 -0.06 0.21 -0.04 2.34 2.46 3dlbB1 LEU 473 H -0.09 0.12 -0.12 -0.55 8.37 7.73 3dlbB1 LEU 473 HA -0.20 0.27 0.82 -0.75 4.35 4.48 3dlbB1 LEU 473 HB2 -0.78 0.03 -0.17 -0.04 1.64 0.68 3dlbB1 LEU 473 HB3 -0.26 0.02 0.11 -0.04 1.64 1.47 3dlbB1 LEU 473 HG -0.11 -0.06 -0.34 -0.04 1.64 1.09 3dlbB1 LEU 473 HD13 -0.17 0.02 -0.21 -0.04 0.93 0.53 3dlbB1 LEU 473 HD23 -0.21 -0.01 -0.14 -0.04 0.89 0.50 3dlbB1 ALA 474 H -0.10 0.49 0.16 -0.55 8.40 8.41 3dlbB1 ALA 474 HA -0.01 0.24 1.09 -0.75 4.34 4.90 3dlbB1 ALA 474 HB3 -0.06 -0.00 0.03 -0.04 1.41 1.34 3dlbB1 VAL 475 H 0.05 0.58 0.33 -0.55 8.24 8.65 3dlbB1 VAL 475 HA -0.06 0.23 1.23 -0.75 4.13 4.78 3dlbB1 VAL 475 HB -0.09 -0.04 -0.10 -0.04 2.12 1.85 3dlbB1 VAL 475 HG13 0.11 -0.02 0.01 -0.04 0.97 1.03 3dlbB1 VAL 475 HG23 -0.60 -0.00 -0.28 -0.04 0.95 0.03 3dlbB1 GLY 476 H -0.05 0.74 0.41 -0.55 8.43 8.98 3dlbB1 GLY 476 HA2 0.25 0.19 1.11 -0.51 4.01 5.05 3dlbB1 GLY 476 HA3 0.11 0.00 0.35 -0.51 4.01 3.96 3dlbB1 PHE 477 H 0.68 0.56 0.39 -0.55 8.34 9.42 3dlbB1 PHE 477 HA 0.24 0.22 1.06 -0.75 4.62 5.39 3dlbB1 PHE 477 HB2 0.44 -0.04 0.12 -0.04 3.15 3.63 3dlbB1 PHE 477 HB3 0.32 -0.02 0.04 -0.04 3.06 3.37 3dlbB1 PHE 477 HD2 0.04 0.09 0.02 -0.04 7.28 7.39 3dlbB1 PHE 477 HE2 0.07 0.09 -0.02 -0.04 7.38 7.48 3dlbB1 PHE 477 HZ 0.15 -0.00 -0.09 -0.04 7.32 7.33 3dlbB1 ASP 478 H 0.50 0.71 0.46 -0.55 8.40 9.52 3dlbB1 ASP 478 HA 0.23 0.10 0.93 -0.75 4.63 5.14 3dlbB1 ASP 478 HB2 0.28 0.07 -0.13 -0.04 2.71 2.89 3dlbB1 ASP 478 HB3 0.39 0.04 0.12 -0.04 2.70 3.21 3dlbB1 ALA 479 H -0.13 0.23 0.09 -0.55 8.40 8.04 3dlbB1 ALA 479 HA -0.34 0.25 0.91 -0.75 4.34 4.41 3dlbB1 ALA 479 HB3 -0.88 0.06 -0.07 -0.04 1.41 0.47 3dlbB1 GLY 480 H -0.32 0.10 -0.04 -0.55 8.43 7.61 3dlbB1 GLY 480 HA2 -1.30 0.06 0.37 -0.51 4.01 2.62 3dlbB1 GLY 480 HA3 -1.77 0.08 0.72 -0.51 4.01 2.52 3dlbB1 GLY 481 H -0.50 0.09 0.28 -0.55 8.43 7.75 3dlbB1 GLY 481 HA2 -0.18 0.17 0.70 -0.51 4.01 4.18 3dlbB1 GLY 481 HA3 -0.19 0.03 0.31 -0.51 4.01 3.66 3dlbB1 ARG 482 H -0.35 0.18 0.18 -0.55 8.46 7.91 3dlbB1 ARG 482 HA -0.12 0.11 0.59 -0.75 4.34 4.17 3dlbB1 ARG 482 HB2 -0.21 0.25 0.27 -0.04 1.90 2.17 3dlbB1 ARG 482 HB3 -0.05 -0.10 0.23 -0.04 1.80 1.84 3dlbB1 ARG 482 HG2 -0.18 -0.03 0.11 -0.04 1.67 1.53 3dlbB1 ARG 482 HG3 -0.29 0.03 0.21 -0.04 1.67 1.58 3dlbB1 ARG 482 HD2 0.03 0.05 0.12 -0.04 3.22 3.37 3dlbB1 ARG 482 HD3 -0.07 -0.01 0.10 -0.04 3.22 3.19 3dlbB1 GLU 483 H -0.04 0.13 0.18 -0.55 8.60 8.32 3dlbB1 GLU 483 HA -0.04 0.18 0.44 -0.75 4.29 4.12 3dlbB1 GLU 483 HB2 0.00 -0.09 0.12 -0.04 2.09 2.09 3dlbB1 GLU 483 HB3 -0.00 0.27 0.30 -0.04 1.99 2.51 3dlbB1 GLU 483 HG2 -0.03 -0.10 0.13 -0.04 2.34 2.29 3dlbB1 GLU 483 HG3 -0.01 -0.01 0.09 -0.04 2.34 2.37 3dlbB1 SER 484 H -0.08 0.10 -0.49 -0.55 8.46 7.44 3dlbB1 SER 484 HA 0.05 0.14 0.55 -0.75 4.49 4.47 3dlbB1 SER 484 HB2 0.03 0.20 -0.13 -0.04 3.95 4.02 3dlbB1 SER 484 HB3 0.05 -0.03 -0.02 -0.04 3.93 3.88 3dlbB1 PHE 485 H 0.23 0.14 0.10 -0.55 8.34 8.26 3dlbB1 PHE 485 HA 0.07 0.32 0.66 -0.75 4.62 4.91 3dlbB1 PHE 485 HB2 -0.04 -0.06 0.10 -0.04 3.15 3.11 3dlbB1 PHE 485 HB3 0.01 0.01 0.11 -0.04 3.06 3.15 3dlbB1 PHE 485 HD2 0.05 -0.03 -0.12 -0.04 7.28 7.14 3dlbB1 PHE 485 HE2 0.20 0.04 -0.13 -0.04 7.38 7.44 3dlbB1 PHE 485 HZ 0.26 -0.03 -0.31 -0.04 7.32 7.21 3dlbB1 ARG 486 H 0.01 -0.01 -0.45 -0.55 8.46 7.46 3dlbB1 ARG 486 HA -0.10 0.11 0.44 -0.75 4.34 4.04 3dlbB1 ARG 486 HB2 -0.72 -0.02 0.06 -0.04 1.90 1.17 3dlbB1 ARG 486 HB3 -0.50 0.06 0.04 -0.04 1.80 1.36 3dlbB1 ARG 486 HG2 -0.08 -0.07 0.08 -0.04 1.67 1.56 3dlbB1 ARG 486 HG3 -0.05 -0.06 0.03 -0.04 1.67 1.55 3dlbB1 ARG 486 HD2 -0.06 -0.01 0.03 -0.04 3.22 3.14 3dlbB1 ARG 486 HD3 -0.16 0.03 0.01 -0.04 3.22 3.06 3dlbB1 PHE 487 H 0.12 0.05 -0.16 -0.55 8.34 7.80 3dlbB1 PHE 487 HA 0.07 0.17 0.57 -0.75 4.62 4.67 3dlbB1 PHE 487 HB2 0.06 0.02 0.16 -0.04 3.15 3.35 3dlbB1 PHE 487 HB3 0.09 -0.01 0.14 -0.04 3.06 3.24 3dlbB1 PHE 487 HD2 0.01 0.04 0.03 -0.04 7.28 7.31 3dlbB1 PHE 487 HE2 0.00 -0.01 0.00 -0.04 7.38 7.34 3dlbB1 PHE 487 HZ 0.01 0.01 -0.01 -0.04 7.32 7.29 3dlbB1 GLY 488 H 0.11 0.46 -0.49 -0.55 8.43 7.96 3dlbB1 GLY 488 HA2 0.16 -0.01 0.32 -0.51 4.01 3.96 3dlbB1 GLY 488 HA3 0.18 0.08 0.41 -0.51 4.01 4.17 3dlbB1 GLY 489 H 0.23 0.10 0.24 -0.55 8.43 8.46 3dlbB1 GLY 489 HA2 0.64 0.10 0.50 -0.51 4.01 4.74 3dlbB1 GLY 489 HA3 0.55 -0.01 0.42 -0.51 4.01 4.47 3dlbB1 ALA 490 H 0.48 0.60 0.42 -0.55 8.40 9.35 3dlbB1 ALA 490 HA 0.08 0.11 0.79 -0.75 4.34 4.56 3dlbB1 ALA 490 HB3 0.06 0.03 0.01 -0.04 1.41 1.47 3dlbB1 ALA 491 H 0.02 0.70 0.22 -0.55 8.40 8.79 3dlbB1 ALA 491 HA 0.04 0.26 1.12 -0.75 4.34 5.00 3dlbB1 ALA 491 HB3 -0.24 -0.02 -0.11 -0.04 1.41 0.99 3dlbB1 CYS 492 H 0.03 0.59 0.37 -0.55 8.50 8.94 3dlbB1 CYS 492 HA 0.26 0.17 0.98 -0.75 4.58 5.24 3dlbB1 CYS 492 HB2 0.06 0.04 0.12 -0.04 2.97 3.15 3dlbB1 CYS 492 HB3 0.23 -0.00 -0.01 -0.04 2.97 3.15 3dlbB1 ALA 493 H 0.03 0.27 0.15 -0.55 8.40 8.29 3dlbB1 ALA 493 HA -0.07 0.24 0.85 -0.75 4.34 4.61 3dlbB1 ALA 493 HB3 -0.04 0.00 -0.19 -0.04 1.41 1.14 3dlbB1 VAL 494 H -0.12 0.49 0.29 -0.55 8.24 8.35 3dlbB1 VAL 494 HA -0.20 0.21 0.99 -0.75 4.13 4.37 3dlbB1 VAL 494 HB -0.42 0.05 -0.04 -0.04 2.12 1.67 3dlbB1 VAL 494 HG13 -0.15 -0.02 -0.05 -0.04 0.97 0.71 3dlbB1 VAL 494 HG23 -0.42 0.00 -0.23 -0.04 0.95 0.26 3dlbB1 GLY 495 H -0.04 0.50 0.08 -0.55 8.43 8.42 3dlbB1 GLY 495 HA2 0.01 0.13 0.48 -0.51 4.01 4.11 3dlbB1 GLY 495 HA3 0.12 0.03 0.42 -0.51 4.01 4.08 3dlbB1 GLY 496 H -0.05 0.13 -0.65 -0.55 8.43 7.31 3dlbB1 GLY 496 HA2 0.02 0.06 0.21 -0.51 4.01 3.80 3dlbB1 GLY 496 HA3 0.11 0.20 0.74 -0.51 4.01 4.56 3dlbB1 ASP 497 H 0.08 0.17 -0.04 -0.55 8.40 8.06 3dlbB1 ASP 497 HA 0.14 0.21 0.80 -0.75 4.63 5.04 3dlbB1 ASP 497 HB2 0.02 0.01 0.02 -0.04 2.71 2.72 3dlbB1 ASP 497 HB3 0.02 0.09 0.13 -0.04 2.70 2.89 3dlbB1 GLY 498 H 0.02 0.01 -0.20 -0.55 8.43 7.71 3dlbB1 GLY 498 HA2 0.03 0.03 0.31 -0.51 4.01 3.88 3dlbB1 GLY 498 HA3 -0.01 0.18 0.46 -0.51 4.01 4.13 3dlbB1 GLY 499 H -0.02 0.06 -0.11 -0.55 8.43 7.81 3dlbB1 GLY 499 HA2 0.06 0.29 0.51 -0.51 4.01 4.36 3dlbB1 GLY 499 HA3 0.05 0.03 0.37 -0.51 4.01 3.95 3dlbB1 HIS 500 H 0.26 0.22 0.07 -0.55 8.41 8.42 3dlbB1 HIS 500 HA -0.06 -0.07 0.59 -0.75 4.63 4.34 3dlbB1 HIS 500 HB2 -0.11 0.16 0.02 -0.04 3.26 3.29 3dlbB1 HIS 500 HB3 -0.17 0.08 -0.05 -0.04 3.20 3.01 3dlbB1 HIS 500 HD2 -0.20 0.02 -0.03 -0.04 6.97 6.72 3dlbB1 HIS 500 HE1 -0.08 0.03 -0.06 -0.04 7.75 7.60 3dlbB1 LEU 501 H -0.04 0.71 0.54 -0.55 8.37 9.04 3dlbB1 LEU 501 HA 0.06 0.22 0.73 -0.75 4.35 4.60 3dlbB1 LEU 501 HB2 0.04 0.11 0.09 -0.04 1.64 1.84 3dlbB1 LEU 501 HB3 0.09 -0.13 0.07 -0.04 1.64 1.62 3dlbB1 LEU 501 HG 0.07 0.14 -0.03 -0.04 1.64 1.78 3dlbB1 LEU 501 HD13 0.13 -0.03 -0.16 -0.04 0.93 0.83 3dlbB1 LEU 501 HD23 0.10 -0.01 -0.12 -0.04 0.89 0.82 3dlbB1 LEU 502 H 0.11 0.09 0.12 -0.55 8.37 8.14 3dlbB1 LEU 502 HA 0.34 0.14 0.42 -0.75 4.35 4.50 3dlbB1 LEU 502 HB2 0.11 -0.07 0.21 -0.04 1.64 1.85 3dlbB1 LEU 502 HB3 0.13 -0.05 0.20 -0.04 1.64 1.88 3dlbB1 LEU 502 HG 0.09 -0.02 0.06 -0.04 1.64 1.72 3dlbB1 LEU 502 HD13 0.11 0.01 -0.04 -0.04 0.93 0.97 3dlbB1 LEU 502 HD23 0.14 0.03 0.02 -0.04 0.89 1.04 3dlbB1 TRP 503 H 0.83 0.31 0.40 -0.55 7.97 8.97 3dlbB1 TRP 503 HA -0.02 -0.07 0.49 -0.75 4.62 4.27 3dlbB1 TRP 503 HB2 -0.02 0.27 0.37 -0.04 3.23 3.81 3dlbB1 TRP 503 HB3 -0.01 -0.08 0.29 -0.04 3.23 3.40 3dlbB1 TRP 503 HD1 0.00 -0.06 -0.05 -0.04 7.22 7.07 3dlbB1 TRP 503 HE1 -0.00 -0.07 0.01 -0.04 10.20 10.10 3dlbB1 TRP 503 HE3 0.00 -0.15 0.23 -0.04 7.59 7.64 3dlbB1 TRP 503 HZ2 -0.00 0.15 0.15 -0.04 7.44 7.70 3dlbB1 TRP 503 HZ3 0.00 0.04 0.12 -0.04 7.13 7.26 3dlbB1 TRP 503 HH2 0.00 -1.74 0.39 -0.04 7.19 5.81 3dlbB1 THR 504 H 0.04 0.09 0.30 -0.55 8.28 8.15 3dlbB1 THR 504 HA -0.23 0.28 0.91 -0.75 4.39 4.59 3dlbB1 THR 504 HB -0.08 -0.12 0.19 -0.04 4.32 4.27 3dlbB1 THR 504 HG23 -0.01 0.05 0.01 -0.04 1.22 1.24 3dlbB1 LEU 505 H -0.12 0.33 0.22 -0.55 8.37 8.25 3dlbB1 LEU 505 HA -0.03 0.05 0.63 -0.75 4.35 4.25 3dlbB1 LEU 505 HB2 -0.13 0.05 0.14 -0.04 1.64 1.65 3dlbB1 LEU 505 HB3 -0.19 0.05 0.14 -0.04 1.64 1.60 3dlbB1 LEU 505 HG -0.18 -0.02 -0.03 -0.04 1.64 1.37 3dlbB1 LEU 505 HD13 -0.24 -0.00 -0.09 -0.04 0.93 0.57 3dlbB1 LEU 505 HD23 -0.38 -0.04 -0.23 -0.04 0.89 0.19 3dlbB1 PRO 506 HA -0.02 0.19 0.40 -0.51 4.44 4.50 3dlbB1 PRO 506 HB2 0.01 0.05 0.07 -0.04 2.28 2.37 3dlbB1 PRO 506 HB3 -0.03 0.07 -0.15 -0.04 2.02 1.87 3dlbB1 PRO 506 HG2 0.11 -0.01 0.00 -0.04 2.03 2.09 3dlbB1 PRO 506 HG3 0.05 -0.00 -0.17 -0.04 2.03 1.88 3dlbB1 PRO 506 HD2 0.13 0.03 0.21 -0.04 3.68 4.00 3dlbB1 PRO 506 HD3 0.06 0.04 -0.17 -0.04 3.65 3.54 3dlbB1 ARG 513 HA -0.02 -0.04 0.20 -0.75 4.34 3.72 3dlbB1 ARG 513 HB2 -0.01 -0.22 0.17 -0.04 1.90 1.81 3dlbB1 ARG 513 HB3 -0.00 0.04 0.06 -0.04 1.80 1.85 3dlbB1 ARG 513 HG2 0.01 0.00 -0.19 -0.04 1.67 1.46 3dlbB1 ARG 513 HG3 0.01 0.04 -0.13 -0.04 1.67 1.55 3dlbB1 ARG 513 HD2 0.01 -0.07 -0.03 -0.04 3.22 3.09 3dlbB1 ARG 513 HD3 -0.00 0.03 -0.06 -0.04 3.22 3.16 3dlbB1 ILE 514 H -0.01 0.05 0.10 -0.55 8.25 7.84 3dlbB1 ILE 514 HA -0.04 0.15 0.53 -0.75 4.18 4.06 3dlbB1 ILE 514 HB -0.01 -0.04 0.14 -0.04 1.89 1.94 3dlbB1 ILE 514 HG12 -0.02 0.03 0.09 -0.04 1.49 1.54 3dlbB1 ILE 514 HG13 -0.02 0.01 0.05 -0.04 1.21 1.21 3dlbB1 ILE 514 HG23 -0.02 -0.07 -0.06 -0.04 0.93 0.73 3dlbB1 ILE 514 HD13 -0.03 0.02 0.02 -0.04 0.88 0.85 3dlbB1 PRO 515 HA 0.06 0.23 0.24 -0.51 4.44 4.47 3dlbB1 PRO 515 HB2 0.03 0.02 0.02 -0.04 2.28 2.30 3dlbB1 PRO 515 HB3 0.05 -0.07 0.01 -0.04 2.02 1.97 3dlbB1 PRO 515 HG2 -0.02 -0.09 0.12 -0.04 2.03 2.00 3dlbB1 PRO 515 HG3 -0.01 0.08 0.10 -0.04 2.03 2.16 3dlbB1 PRO 515 HD2 -0.03 0.06 0.26 -0.04 3.68 3.93 3dlbB1 PRO 515 HD3 -0.05 0.22 0.24 -0.04 3.65 4.02 3dlbB1 GLN 516 H -0.03 0.12 -0.09 -0.55 8.47 7.91 3dlbB1 GLN 516 HA -0.13 0.36 0.55 -0.75 4.36 4.39 3dlbB1 GLN 516 HB2 -0.04 -0.02 0.07 -0.04 2.15 2.13 3dlbB1 GLN 516 HB3 -0.06 -0.04 -0.04 -0.04 2.02 1.84 3dlbB1 GLN 516 HG2 -0.08 0.08 0.02 -0.04 2.40 2.38 3dlbB1 GLN 516 HG3 -0.05 -0.03 0.02 -0.04 2.39 2.29 3dlbB1 GLN 516 HE21 -0.04 0.03 -0.03 -0.04 6.97 6.89 3dlbB1 GLN 516 HE22 -0.03 -0.02 -0.07 -0.04 7.69 7.52 3dlbB1 GLU 517 H -0.00 0.10 -0.25 -0.55 8.60 7.90 3dlbB1 GLU 517 HA 0.11 0.02 0.34 -0.75 4.29 4.01 3dlbB1 GLU 517 HB2 0.02 0.01 0.09 -0.04 2.09 2.17 3dlbB1 GLU 517 HB3 0.04 0.06 -0.02 -0.04 1.99 2.02 3dlbB1 GLU 517 HG2 0.09 0.03 0.01 -0.04 2.34 2.42 3dlbB1 GLU 517 HG3 0.03 -0.08 -0.02 -0.04 2.34 2.23 3dlbB1 VAL 518 H 0.00 0.37 -0.42 -0.55 8.24 7.65 3dlbB1 VAL 518 HA 0.03 0.04 0.44 -0.75 4.13 3.88 3dlbB1 VAL 518 HB 0.06 0.08 0.16 -0.04 2.12 2.39 3dlbB1 VAL 518 HG13 0.19 -0.02 -0.22 -0.04 0.97 0.88 3dlbB1 VAL 518 HG23 0.06 0.09 -0.09 -0.04 0.95 0.98 3dlbB1 VAL 519 H -0.21 0.54 0.07 -0.55 8.24 8.09 3dlbB1 VAL 519 HA -0.32 -0.03 0.28 -0.75 4.13 3.30 3dlbB1 VAL 519 HB -0.46 0.15 0.17 -0.04 2.12 1.95 3dlbB1 VAL 519 HG13 -1.27 -0.03 -0.13 -0.04 0.97 -0.51 3dlbB1 VAL 519 HG23 -1.21 0.02 -0.03 -0.04 0.95 -0.31 3dlbB1 TRP 520 H 0.12 0.44 -0.45 -0.55 7.97 7.54 3dlbB1 TRP 520 HA -0.05 -0.01 0.35 -0.75 4.62 4.16 3dlbB1 TRP 520 HB2 -0.08 -0.11 -0.08 -0.04 3.23 2.92 3dlbB1 TRP 520 HB3 -0.07 0.12 0.01 -0.04 3.23 3.26 3dlbB1 TRP 520 HD1 -0.04 -0.00 -0.11 -0.04 7.22 7.03 3dlbB1 TRP 520 HE1 -0.03 0.02 -0.09 -0.04 10.20 10.06 3dlbB1 TRP 520 HE3 0.00 -0.05 0.03 -0.04 7.59 7.53 3dlbB1 TRP 520 HZ2 0.00 0.04 -0.07 -0.04 7.44 7.36 3dlbB1 TRP 520 HZ3 0.04 0.04 -0.16 -0.04 7.13 7.00 3dlbB1 TRP 520 HH2 0.04 0.07 -0.14 -0.04 7.19 7.12 3dlbB1 ASP 521 H -0.01 0.53 -0.06 -0.55 8.40 8.31 3dlbB1 ASP 521 HA -0.53 0.01 0.46 -0.75 4.63 3.82 3dlbB1 ASP 521 HB2 -0.07 0.12 0.19 -0.04 2.71 2.90 3dlbB1 ASP 521 HB3 -0.14 -0.01 -0.04 -0.04 2.70 2.47 3dlbB1 LEU 522 H -0.02 0.48 -0.20 -0.55 8.37 8.08 3dlbB1 LEU 522 HA -0.05 -0.00 0.22 -0.75 4.35 3.76 3dlbB1 LEU 522 HB2 0.18 0.23 0.04 -0.04 1.64 2.05 3dlbB1 LEU 522 HB3 -0.05 -0.03 -0.16 -0.04 1.64 1.35 3dlbB1 LEU 522 HG 0.08 0.10 -0.20 -0.04 1.64 1.59 3dlbB1 LEU 522 HD13 0.28 -0.02 -0.25 -0.04 0.93 0.90 3dlbB1 LEU 522 HD23 0.03 -0.00 -0.30 -0.04 0.89 0.58 3dlbB1 LEU 523 H 0.15 0.50 -0.21 -0.55 8.37 8.27 3dlbB1 LEU 523 HA 0.02 -0.02 0.31 -0.75 4.35 3.91 3dlbB1 LEU 523 HB2 0.55 -0.03 0.02 -0.04 1.64 2.14 3dlbB1 LEU 523 HB3 0.46 0.09 0.05 -0.04 1.64 2.20 3dlbB1 LEU 523 HG 0.34 0.00 -0.18 -0.04 1.64 1.76 3dlbB1 LEU 523 HD13 0.28 -0.01 -0.06 -0.04 0.93 1.09 3dlbB1 LEU 523 HD23 0.49 -0.01 -0.11 -0.04 0.89 1.22 3dlbB1 GLU 524 H -0.50 0.49 -0.34 -0.55 8.60 7.70 3dlbB1 GLU 524 HA -0.62 0.00 0.43 -0.75 4.29 3.36 3dlbB1 GLU 524 HB2 -1.94 0.16 0.09 -0.04 2.09 0.36 3dlbB1 GLU 524 HB3 -0.66 0.02 0.15 -0.04 1.99 1.46 3dlbB1 GLU 524 HG2 -0.58 -0.03 0.01 -0.04 2.34 1.70 3dlbB1 GLU 524 HG3 -0.89 -0.04 -0.05 -0.04 2.34 1.32 3dlbB1 GLU 525 H -0.21 0.76 0.02 -0.55 8.60 8.62 3dlbB1 GLU 525 HA 0.03 0.03 0.42 -0.75 4.29 4.01 3dlbB1 GLU 525 HB2 -0.05 0.09 0.17 -0.04 2.09 2.26 3dlbB1 GLU 525 HB3 0.02 0.01 0.00 -0.04 1.99 1.98 3dlbB1 GLU 525 HG2 -0.14 0.06 0.03 -0.04 2.34 2.24 3dlbB1 GLU 525 HG3 -0.07 0.00 -0.00 -0.04 2.34 2.23 3dlbB1 THR 526 H -0.02 0.58 -0.03 -0.55 8.28 8.26 3dlbB1 THR 526 HA 0.07 0.04 0.26 -0.75 4.39 4.00 3dlbB1 THR 526 HB 0.00 -0.06 -0.11 -0.04 4.32 4.11 3dlbB1 THR 526 HG23 -0.06 0.11 -0.07 -0.04 1.22 1.17 3dlbB1 LEU 527 H 0.06 0.57 -0.40 -0.55 8.37 8.04 3dlbB1 LEU 527 HA 0.13 -0.04 0.35 -0.75 4.35 4.04 3dlbB1 LEU 527 HB2 0.10 0.23 0.19 -0.04 1.64 2.11 3dlbB1 LEU 527 HB3 0.21 -0.07 -0.06 -0.04 1.64 1.68 3dlbB1 LEU 527 HG 0.16 0.06 0.03 -0.04 1.64 1.85 3dlbB1 LEU 527 HD13 0.30 -0.02 -0.07 -0.04 0.93 1.11 3dlbB1 LEU 527 HD23 0.13 -0.03 -0.01 -0.04 0.89 0.95 3dlbB1 TRP 528 H 0.26 0.54 -0.31 -0.55 7.97 7.91 3dlbB1 TRP 528 HA 0.04 -0.04 0.40 -0.75 4.62 4.26 3dlbB1 TRP 528 HB2 -0.04 0.06 0.13 -0.04 3.23 3.33 3dlbB1 TRP 528 HB3 -0.03 0.17 0.20 -0.04 3.23 3.53 3dlbB1 TRP 528 HD1 -0.02 0.03 -0.11 -0.04 7.22 7.09 3dlbB1 TRP 528 HE1 -0.01 0.02 -0.03 -0.04 10.20 10.13 3dlbB1 TRP 528 HE3 0.02 0.01 -0.03 -0.04 7.59 7.55 3dlbB1 TRP 528 HZ2 -0.00 0.01 -0.03 -0.04 7.44 7.38 3dlbB1 TRP 528 HZ3 0.02 -0.00 -0.05 -0.04 7.13 7.06 3dlbB1 TRP 528 HH2 0.00 0.00 -0.04 -0.04 7.19 7.12 3dlbB1 ALA 529 H 0.15 0.56 -0.14 -0.55 8.40 8.42 3dlbB1 ALA 529 HA -0.10 0.10 0.51 -0.75 4.34 4.10 3dlbB1 ALA 529 HB3 0.08 0.04 0.11 -0.04 1.41 1.60 3dlbB1 PHE 530 H 0.16 0.61 -0.38 -0.55 8.34 8.17 3dlbB1 PHE 530 HA -0.06 0.03 0.29 -0.75 4.62 4.13 3dlbB1 PHE 530 HB2 -0.01 -0.02 0.02 -0.04 3.15 3.09 3dlbB1 PHE 530 HB3 0.00 0.20 0.15 -0.04 3.06 3.36 3dlbB1 PHE 530 HD2 -0.00 0.01 0.06 -0.04 7.28 7.31 3dlbB1 PHE 530 HE2 0.01 0.02 -0.11 -0.04 7.38 7.26 3dlbB1 PHE 530 HZ 0.01 -0.04 -0.04 -0.04 7.32 7.21 3dlbB1 ARG 531 H -0.13 0.34 -0.27 -0.55 8.46 7.85 3dlbB1 ARG 531 HA -0.24 0.15 -0.00 -0.75 4.34 3.49 3dlbB1 ARG 532 H -0.39 0.20 -0.34 -0.55 8.46 7.37 3dlbB1 ARG 532 HA -0.39 0.12 0.57 -0.75 4.34 3.88 3dlbB1 LYS 533 H -0.23 0.28 0.28 -0.55 8.42 8.19 3dlbB1 LYS 533 HA -0.14 0.20 0.52 -0.75 4.32 4.15 3dlbB1 ALA 534 H -0.57 -0.24 -0.07 -0.55 8.40 6.98 3dlbB1 ALA 534 HA -0.24 0.24 0.53 -0.75 4.34 4.12 3dlbB1 ALA 534 HB3 -0.72 0.02 0.04 -0.04 1.41 0.71 3dlbB1 GLY 535 H -0.27 0.09 -0.78 -0.55 8.43 6.93 3dlbB1 GLY 535 HA2 -0.17 0.20 0.29 -0.51 4.01 3.82 3dlbB1 GLY 535 HA3 -0.12 0.03 0.32 -0.51 4.01 3.73 3dlbB1 ARG 536 H -0.22 -0.04 -0.27 -0.55 8.46 7.37 3dlbB1 ARG 536 HA -0.02 0.00 0.33 -0.75 4.34 3.90 3dlbB1 ARG 536 HB2 -0.03 0.27 0.16 -0.04 1.90 2.25 3dlbB1 ARG 536 HB3 -0.07 -0.00 -0.29 -0.04 1.80 1.40 3dlbB1 ARG 536 HG2 0.07 0.31 -0.22 -0.04 1.67 1.79 3dlbB1 ARG 536 HG3 0.03 -0.10 0.09 -0.04 1.67 1.65 3dlbB1 ARG 536 HD2 0.04 -0.04 -0.01 -0.04 3.22 3.18 3dlbB1 ARG 536 HD3 0.01 -0.00 0.01 -0.04 3.22 3.20 3dlbB1 LEU 537 H 0.07 0.15 0.09 -0.55 8.37 8.13 3dlbB1 LEU 537 HA 0.23 0.04 0.52 -0.75 4.35 4.38 3dlbB1 LEU 537 HB2 0.12 0.02 0.02 -0.04 1.64 1.76 3dlbB1 LEU 537 HB3 0.16 0.12 0.01 -0.04 1.64 1.89 3dlbB1 LEU 537 HG 0.17 -0.02 -0.02 -0.04 1.64 1.73 3dlbB1 LEU 537 HD13 0.09 -0.04 0.01 -0.04 0.93 0.94 3dlbB1 LEU 537 HD23 0.14 0.02 -0.01 -0.04 0.89 1.00 3dlbB1 PRO 538 HA 0.25 0.04 0.47 -0.51 4.44 4.70 3dlbB1 PRO 538 HB2 -0.11 0.11 -0.07 -0.04 2.28 2.17 3dlbB1 PRO 538 HB3 -0.61 0.01 0.02 -0.04 2.02 1.41 3dlbB1 PRO 538 HG2 0.06 0.06 -0.02 -0.04 2.03 2.09 3dlbB1 PRO 538 HG3 -0.11 0.01 0.01 -0.04 2.03 1.91 3dlbB1 PRO 538 HD2 0.23 0.09 0.21 -0.04 3.68 4.16 3dlbB1 PRO 538 HD3 0.59 0.07 0.21 -0.04 3.65 4.48 3dlbB1 SER 539 H 0.09 0.10 0.19 -0.55 8.46 8.29 3dlbB1 SER 539 HA 0.07 0.15 0.52 -0.75 4.49 4.47 3dlbB1 SER 539 HB2 0.04 0.00 0.08 -0.04 3.95 4.04 3dlbB1 SER 539 HB3 0.06 0.03 0.14 -0.04 3.93 4.11 3dlbB1 ARG 540 H 0.03 0.03 0.03 -0.55 8.46 8.00 3dlbB1 ARG 540 HA 0.06 0.40 0.71 -0.75 4.34 4.76 3dlbB1 ARG 540 HB2 0.03 -0.01 -0.23 -0.04 1.90 1.65 3dlbB1 ARG 540 HB3 0.03 0.13 0.05 -0.04 1.80 1.96 3dlbB1 ARG 540 HG2 0.04 0.00 -0.33 -0.04 1.67 1.33 3dlbB1 ARG 540 HG3 0.03 -0.04 -0.31 -0.04 1.67 1.30 3dlbB1 ARG 540 HD2 0.01 0.04 -0.14 -0.04 3.22 3.08 3dlbB1 ARG 540 HD3 0.01 -0.11 -0.43 -0.04 3.22 2.66 3dlbB1 VAL 541 H 0.10 0.44 0.19 -0.55 8.24 8.42 3dlbB1 VAL 541 HA 0.00 0.23 1.02 -0.75 4.13 4.62 3dlbB1 VAL 541 HB 0.14 -0.01 0.01 -0.04 2.12 2.22 3dlbB1 VAL 541 HG13 0.08 0.01 -0.09 -0.04 0.97 0.93 3dlbB1 VAL 541 HG23 0.04 0.00 -0.31 -0.04 0.95 0.64 3dlbB1 LEU 542 H 0.03 0.75 0.43 -0.55 8.37 9.04 3dlbB1 LEU 542 HA 0.08 0.15 0.97 -0.75 4.35 4.80 3dlbB1 LEU 542 HB2 0.01 -0.06 -0.08 -0.04 1.64 1.47 3dlbB1 LEU 542 HB3 0.01 -0.04 0.11 -0.04 1.64 1.68 3dlbB1 LEU 542 HG 0.04 0.01 -0.32 -0.04 1.64 1.33 3dlbB1 LEU 542 HD13 0.03 0.01 -0.05 -0.04 0.93 0.88 3dlbB1 LEU 542 HD23 -0.02 -0.01 -0.15 -0.04 0.89 0.67 3dlbB1 LEU 543 H 0.11 0.55 0.34 -0.55 8.37 8.83 3dlbB1 LEU 543 HA 0.28 0.34 1.06 -0.75 4.35 5.28 3dlbB1 LEU 543 HB2 0.03 -0.08 0.19 -0.04 1.64 1.74 3dlbB1 LEU 543 HB3 0.20 -0.00 0.03 -0.04 1.64 1.83 3dlbB1 LEU 543 HG 0.18 -0.05 -0.30 -0.04 1.64 1.42 3dlbB1 LEU 543 HD13 0.07 -0.01 -0.15 -0.04 0.93 0.80 3dlbB1 LEU 543 HD23 0.41 0.03 -0.11 -0.04 0.89 1.18 3dlbB1 LEU 544 H 0.27 0.54 0.42 -0.55 8.37 9.05 3dlbB1 LEU 544 HA 0.05 0.32 1.02 -0.75 4.35 4.99 3dlbB1 LEU 544 HB2 0.13 -0.05 0.08 -0.04 1.64 1.76 3dlbB1 LEU 544 HB3 0.09 0.01 -0.01 -0.04 1.64 1.69 3dlbB1 LEU 544 HG 0.07 -0.06 -0.43 -0.04 1.64 1.17 3dlbB1 LEU 544 HD13 0.04 0.00 -0.16 -0.04 0.93 0.77 3dlbB1 LEU 544 HD23 0.05 0.03 -0.08 -0.04 0.89 0.84 3dlbB1 ARG 545 H 0.02 0.52 0.35 -0.55 8.46 8.80 3dlbB1 ARG 545 HA 0.24 0.17 0.82 -0.75 4.34 4.81 3dlbB1 ARG 545 HB2 0.23 -0.02 0.06 -0.04 1.90 2.13 3dlbB1 ARG 545 HB3 -0.12 -0.02 -0.25 -0.04 1.80 1.37 3dlbB1 ARG 545 HG2 -0.18 0.09 -0.09 -0.04 1.67 1.45 3dlbB1 ARG 545 HG3 -0.05 0.08 -0.53 -0.04 1.67 1.12 3dlbB1 ARG 545 HD2 -0.47 0.01 -0.17 -0.04 3.22 2.54 3dlbB1 ARG 545 HD3 -1.21 -0.05 -0.20 -0.04 3.22 1.72 3dlbB1 ASP 546 H 0.17 0.16 0.16 -0.55 8.40 8.34 3dlbB1 ASP 546 HA 0.04 0.20 0.81 -0.75 4.63 4.92 3dlbB1 ASP 546 HB2 0.06 0.06 0.11 -0.04 2.71 2.89 3dlbB1 ASP 546 HB3 0.05 -0.02 0.11 -0.04 2.70 2.80 3dlbB1 GLY 547 H -0.00 0.74 0.39 -0.55 8.43 9.00 3dlbB1 GLY 547 HA2 -0.01 0.06 0.38 -0.51 4.01 3.93 3dlbB1 GLY 547 HA3 -0.02 0.09 0.33 -0.51 4.01 3.89 3dlbB1 ARG 548 H 0.00 0.01 -0.39 -0.55 8.46 7.53 3dlbB1 ARG 548 HA -0.01 0.07 0.36 -0.75 4.34 4.01 3dlbB1 ARG 548 HB2 -0.02 -0.02 -0.07 -0.04 1.90 1.75 3dlbB1 ARG 548 HB3 -0.02 0.00 -0.02 -0.04 1.80 1.71 3dlbB1 ARG 548 HG2 -0.02 0.03 0.02 -0.04 1.67 1.65 3dlbB1 ARG 548 HG3 -0.02 -0.06 0.02 -0.04 1.67 1.57 3dlbB1 ARG 548 HD2 -0.03 -0.04 -0.01 -0.04 3.22 3.09 3dlbB1 ARG 548 HD3 -0.04 0.09 -0.04 -0.04 3.22 3.18 3dlbB1 VAL 549 H 0.06 0.37 -0.51 -0.55 8.24 7.61 3dlbB1 VAL 549 HA 0.06 0.41 0.89 -0.75 4.13 4.74 3dlbB1 VAL 549 HB 0.28 -0.07 -0.13 -0.04 2.12 2.15 3dlbB1 VAL 549 HG13 -0.00 -0.05 -0.42 -0.04 0.97 0.45 3dlbB1 VAL 549 HG23 0.32 0.07 -0.01 -0.04 0.95 1.28 3dlbB1 PRO 550 HA 0.04 0.06 0.42 -0.51 4.44 4.45 3dlbB1 PRO 550 HB2 0.06 -0.16 0.14 -0.04 2.28 2.27 3dlbB1 PRO 550 HB3 0.03 0.01 0.12 -0.04 2.02 2.15 3dlbB1 PRO 550 HG2 0.03 -0.01 0.16 -0.04 2.03 2.17 3dlbB1 PRO 550 HG3 0.03 0.11 0.14 -0.04 2.03 2.26 3dlbB1 PRO 550 HD2 0.08 -0.01 0.32 -0.04 3.68 4.03 3dlbB1 PRO 550 HD3 0.04 0.46 0.41 -0.04 3.65 4.52 3dlbB1 GLN 551 H 0.02 0.20 0.18 -0.55 8.47 8.33 3dlbB1 GLN 551 HA 0.03 0.14 0.32 -0.75 4.36 4.10 3dlbB1 GLN 551 HB2 -0.03 0.09 0.12 -0.04 2.15 2.29 3dlbB1 GLN 551 HB3 -0.00 -0.02 0.03 -0.04 2.02 1.99 3dlbB1 GLN 551 HG2 -0.03 -0.09 0.03 -0.04 2.40 2.27 3dlbB1 GLN 551 HG3 -0.10 0.03 -0.01 -0.04 2.39 2.27 3dlbB1 GLN 551 HE21 -0.02 0.09 -0.04 -0.04 6.97 6.95 3dlbB1 GLN 551 HE22 -0.02 -0.08 -0.09 -0.04 7.69 7.46 3dlbB1 ASP 552 H 0.04 0.07 -0.48 -0.55 8.40 7.49 3dlbB1 ASP 552 HA 0.02 0.11 0.44 -0.75 4.63 4.46 3dlbB1 ASP 552 HB2 0.01 0.03 0.01 -0.04 2.71 2.71 3dlbB1 ASP 552 HB3 -0.00 0.01 0.06 -0.04 2.70 2.72 3dlbB1 GLU 553 H 0.09 0.48 -0.23 -0.55 8.60 8.40 3dlbB1 GLU 553 HA -0.04 -0.04 0.27 -0.75 4.29 3.73 3dlbB1 GLU 553 HB2 -0.01 0.12 -0.10 -0.04 2.09 2.06 3dlbB1 GLU 553 HB3 -0.07 -0.09 -0.03 -0.04 1.99 1.76 3dlbB1 GLU 553 HG2 0.05 -0.11 0.03 -0.04 2.34 2.27 3dlbB1 GLU 553 HG3 0.13 0.34 0.05 -0.04 2.34 2.82 3dlbB1 PHE 554 H 0.19 0.36 -0.79 -0.55 8.34 7.55 3dlbB1 PHE 554 HA -0.20 0.12 0.72 -0.75 4.62 4.51 3dlbB1 PHE 554 HB2 -0.14 0.23 -0.01 -0.04 3.15 3.19 3dlbB1 PHE 554 HB3 -0.20 -0.07 0.01 -0.04 3.06 2.76 3dlbB1 PHE 554 HD2 -0.27 -0.00 -0.15 -0.04 7.28 6.82 3dlbB1 PHE 554 HE2 -0.90 0.04 -0.14 -0.04 7.38 6.33 3dlbB1 PHE 554 HZ -0.49 -0.01 -0.10 -0.04 7.32 6.68 3dlbB1 ALA 555 H -0.01 0.69 -0.07 -0.55 8.40 8.46 3dlbB1 ALA 555 HA -0.05 0.05 0.31 -0.75 4.34 3.90 3dlbB1 ALA 555 HB3 -0.04 -0.00 0.10 -0.04 1.41 1.42 3dlbB1 LEU 556 H -0.12 0.14 -0.28 -0.55 8.37 7.57 3dlbB1 LEU 556 HA -0.21 0.10 0.42 -0.75 4.35 3.90 3dlbB1 LEU 556 HB2 -0.11 -0.05 -0.01 -0.04 1.64 1.43 3dlbB1 LEU 556 HB3 -0.15 0.10 -0.10 -0.04 1.64 1.45 3dlbB1 LEU 556 HG -0.19 0.01 -0.01 -0.04 1.64 1.41 3dlbB1 LEU 556 HD13 -0.06 -0.01 -0.10 -0.04 0.93 0.72 3dlbB1 LEU 556 HD23 -0.36 0.01 -0.16 -0.04 0.89 0.34 3dlbB1 ALA 557 H -0.18 0.15 -0.21 -0.55 8.40 7.62 3dlbB1 ALA 557 HA -0.51 0.06 0.34 -0.75 4.34 3.48 3dlbB1 ALA 557 HB3 0.05 0.04 -0.03 -0.04 1.41 1.42 3dlbB1 LEU 558 H -0.19 0.58 -0.20 -0.55 8.37 8.02 3dlbB1 LEU 558 HA -0.48 0.06 0.35 -0.75 4.35 3.52 3dlbB1 LEU 558 HB2 -0.18 0.10 0.02 -0.04 1.64 1.54 3dlbB1 LEU 558 HB3 -0.36 -0.02 -0.06 -0.04 1.64 1.16 3dlbB1 LEU 558 HG -0.12 0.13 -0.12 -0.04 1.64 1.49 3dlbB1 LEU 558 HD13 -0.05 -0.01 -0.12 -0.04 0.93 0.71 3dlbB1 LEU 558 HD23 -0.71 -0.02 -0.16 -0.04 0.89 -0.04 3dlbB1 GLU 559 H -0.23 0.43 -0.22 -0.55 8.60 8.03 3dlbB1 GLU 559 HA -0.11 0.02 0.40 -0.75 4.29 3.85 3dlbB1 GLU 559 HB2 -0.14 0.08 0.13 -0.04 2.09 2.12 3dlbB1 GLU 559 HB3 -0.23 0.08 0.14 -0.04 1.99 1.93 3dlbB1 GLU 559 HG2 -0.13 -0.00 -0.08 -0.04 2.34 2.09 3dlbB1 GLU 559 HG3 -0.08 -0.02 0.04 -0.04 2.34 2.23 3dlbB1 ALA 560 H -0.51 0.49 -0.31 -0.55 8.40 7.53 3dlbB1 ALA 560 HA -0.36 0.00 0.43 -0.75 4.34 3.65 3dlbB1 ALA 560 HB3 -1.48 0.03 0.06 -0.04 1.41 -0.02 3dlbB1 LEU 561 H -0.31 0.61 -0.04 -0.55 8.37 8.08 3dlbB1 LEU 561 HA 0.05 -0.00 0.39 -0.75 4.35 4.02 3dlbB1 LEU 561 HB2 -0.18 0.04 0.13 -0.04 1.64 1.59 3dlbB1 LEU 561 HB3 0.10 0.23 -0.01 -0.04 1.64 1.92 3dlbB1 LEU 561 HG -0.03 0.09 -0.06 -0.04 1.64 1.61 3dlbB1 LEU 561 HD13 -0.05 -0.01 -0.15 -0.04 0.93 0.68 3dlbB1 LEU 561 HD23 0.20 -0.01 -0.07 -0.04 0.89 0.98 3dlbB1 ALA 562 H -0.06 0.45 -0.39 -0.55 8.40 7.86 3dlbB1 ALA 562 HA 0.08 0.03 0.32 -0.75 4.34 4.01 3dlbB1 ALA 562 HB3 0.03 0.03 0.06 -0.04 1.41 1.49 3dlbB1 ARG 563 H -0.05 0.42 -0.13 -0.55 8.46 8.14 3dlbB1 ARG 563 HA 0.00 -0.00 0.39 -0.75 4.34 3.97 3dlbB1 ARG 563 HB2 -0.03 0.10 0.09 -0.04 1.90 2.03 3dlbB1 ARG 563 HB3 -0.00 -0.06 0.07 -0.04 1.80 1.77 3dlbB1 ARG 563 HG2 -0.03 -0.06 0.04 -0.04 1.67 1.57 3dlbB1 ARG 563 HG3 -0.08 0.30 0.12 -0.04 1.67 1.96 3dlbB1 ARG 563 HD2 -0.07 -0.06 -0.03 -0.04 3.22 3.02 3dlbB1 ARG 563 HD3 -0.06 -0.01 -0.01 -0.04 3.22 3.11 3dlbB1 GLU 564 H 0.04 0.32 -0.52 -0.55 8.60 7.89 3dlbB1 GLU 564 HA 0.07 0.06 0.61 -0.75 4.29 4.28 3dlbB1 GLU 564 HB2 0.11 0.11 0.11 -0.04 2.09 2.38 3dlbB1 GLU 564 HB3 0.12 -0.05 0.05 -0.04 1.99 2.06 3dlbB1 GLU 564 HG2 0.10 0.15 -0.01 -0.04 2.34 2.55 3dlbB1 GLU 564 HG3 0.20 -0.06 -0.03 -0.04 2.34 2.41 3dlbB1 GLY 565 H 0.06 0.33 -0.11 -0.55 8.43 8.16 3dlbB1 GLY 565 HA2 0.05 -0.01 0.29 -0.51 4.01 3.83 3dlbB1 GLY 565 HA3 0.05 0.09 0.62 -0.51 4.01 4.26 3dlbB1 ILE 566 H 0.10 0.24 -0.15 -0.55 8.25 7.88 3dlbB1 ILE 566 HA 0.09 0.19 0.52 -0.75 4.18 4.23 3dlbB1 ILE 566 HB 0.14 -0.10 0.13 -0.04 1.89 2.02 3dlbB1 ILE 566 HG12 0.12 -0.06 -0.07 -0.04 1.49 1.44 3dlbB1 ILE 566 HG13 0.15 -0.09 -0.03 -0.04 1.21 1.19 3dlbB1 ILE 566 HG23 0.13 0.06 -0.25 -0.04 0.93 0.83 3dlbB1 ILE 566 HD13 0.11 0.11 -0.13 -0.04 0.88 0.94 3dlbB1 ALA 567 H 0.07 0.42 0.35 -0.55 8.40 8.69 3dlbB1 ALA 567 HA 0.02 -0.01 0.40 -0.75 4.34 4.00 3dlbB1 ALA 567 HB3 -0.01 -0.01 0.14 -0.04 1.41 1.49 3dlbB1 TYR 568 H -0.34 0.15 0.22 -0.55 8.29 7.77 3dlbB1 TYR 568 HA 0.04 0.16 0.66 -0.75 4.56 4.66 3dlbB1 TYR 568 HB2 0.06 -0.02 -0.02 -0.04 3.06 3.04 3dlbB1 TYR 568 HB3 0.05 0.17 -0.26 -0.04 2.98 2.91 3dlbB1 TYR 568 HD2 0.02 0.15 -0.37 -0.04 7.15 6.91 3dlbB1 TYR 568 HE2 -0.01 -0.00 -0.12 -0.04 6.85 6.67 3dlbB1 ASP 569 H 0.21 0.50 0.28 -0.55 8.40 8.84 3dlbB1 ASP 569 HA 0.16 0.31 0.90 -0.75 4.63 5.25 3dlbB1 ASP 569 HB2 0.07 -0.04 0.12 -0.04 2.71 2.82 3dlbB1 ASP 569 HB3 0.10 0.05 0.04 -0.04 2.70 2.85 3dlbB1 LEU 570 H 0.19 0.53 0.26 -0.55 8.37 8.80 3dlbB1 LEU 570 HA 0.03 0.16 0.97 -0.75 4.35 4.75 3dlbB1 LEU 570 HB2 0.06 -0.01 -0.06 -0.04 1.64 1.59 3dlbB1 LEU 570 HB3 0.02 -0.09 0.08 -0.04 1.64 1.61 3dlbB1 LEU 570 HG -0.21 0.00 -0.25 -0.04 1.64 1.14 3dlbB1 LEU 570 HD13 -0.54 0.02 -0.07 -0.04 0.93 0.30 3dlbB1 LEU 570 HD23 -0.21 -0.00 -0.11 -0.04 0.89 0.53 3dlbB1 VAL 571 H -0.01 0.62 0.29 -0.55 8.24 8.59 3dlbB1 VAL 571 HA 0.05 0.33 1.29 -0.75 4.13 5.05 3dlbB1 VAL 571 HB 0.04 0.06 0.12 -0.04 2.12 2.30 3dlbB1 VAL 571 HG13 0.02 -0.01 -0.21 -0.04 0.97 0.72 3dlbB1 VAL 571 HG23 0.11 -0.03 -0.24 -0.04 0.95 0.74 3dlbB1 SER 572 H -0.04 0.58 0.41 -0.55 8.46 8.86 3dlbB1 SER 572 HA -0.07 0.11 0.67 -0.75 4.49 4.45 3dlbB1 SER 572 HB2 -0.06 -0.03 0.16 -0.04 3.95 3.98 3dlbB1 SER 572 HB3 -0.05 0.03 -0.00 -0.04 3.93 3.86 3dlbB1 VAL 573 H -0.02 0.38 0.46 -0.55 8.24 8.51 3dlbB1 VAL 573 HA -0.05 0.30 0.97 -0.75 4.13 4.60 3dlbB1 VAL 573 HB 0.03 -0.04 0.01 -0.04 2.12 2.08 3dlbB1 VAL 573 HG13 0.02 -0.01 -0.07 -0.04 0.97 0.87 3dlbB1 VAL 573 HG23 0.02 0.01 -0.17 -0.04 0.95 0.77 3dlbB1 ARG 574 H -0.03 0.35 0.08 -0.55 8.46 8.31 3dlbB1 ARG 574 HA -0.01 -0.08 0.57 -0.75 4.34 4.07 3dlbB1 ARG 574 HB2 -0.04 0.01 -0.07 -0.04 1.90 1.76 3dlbB1 ARG 574 HB3 -0.05 0.00 -0.08 -0.04 1.80 1.63 3dlbB1 ARG 574 HG2 -0.02 -0.02 -0.08 -0.04 1.67 1.51 3dlbB1 ARG 574 HG3 -0.04 -0.06 -0.03 -0.04 1.67 1.50 3dlbB1 ARG 574 HD2 -0.05 -0.11 -0.31 -0.04 3.22 2.70 3dlbB1 ARG 574 HD3 -0.04 0.53 -0.17 -0.04 3.22 3.50 3dlbB1 LYS 575 H 0.00 0.07 0.13 -0.55 8.42 8.06 3dlbB1 SER 576 H 0.01 0.02 0.12 -0.55 8.46 8.06 3dlbB1 SER 576 HA 0.01 0.12 0.61 -0.75 4.49 4.48 3dlbB1 SER 576 HB2 0.00 -0.03 0.10 -0.04 3.95 3.99 3dlbB1 SER 576 HB3 0.01 0.04 0.05 -0.04 3.93 4.00 3dlbB1 GLY 577 H 0.00 0.13 0.20 -0.55 8.43 8.21 3dlbB1 GLY 577 HA2 -0.01 0.03 0.26 -0.51 4.01 3.77 3dlbB1 GLY 577 HA3 -0.03 0.20 0.77 -0.51 4.01 4.43 3dlbB1 GLY 578 H -0.01 0.19 0.01 -0.55 8.43 8.07 3dlbB1 GLY 578 HA2 -0.04 0.05 0.35 -0.51 4.01 3.87 3dlbB1 GLY 578 HA3 -0.02 0.09 0.12 -0.51 4.01 3.70 3dlbB1 GLY 579 H 0.00 0.04 -0.07 -0.55 8.43 7.86 3dlbB1 GLY 579 HA2 0.03 0.04 0.18 -0.51 4.01 3.75 3dlbB1 GLY 579 HA3 0.03 0.15 0.80 -0.51 4.01 4.48 3dlbB1 ARG 580 H -0.03 0.18 0.17 -0.55 8.46 8.23 3dlbB1 ARG 580 HA -0.11 0.20 0.59 -0.75 4.34 4.27 3dlbB1 ARG 580 HB2 -0.16 -0.10 0.01 -0.04 1.90 1.60 3dlbB1 ARG 580 HB3 -0.51 0.04 -0.01 -0.04 1.80 1.28 3dlbB1 ARG 580 HG2 -0.01 -0.06 -0.62 -0.04 1.67 0.95 3dlbB1 ARG 580 HG3 0.02 -0.01 -0.05 -0.04 1.67 1.59 3dlbB1 ARG 580 HD2 -0.04 -0.02 0.07 -0.04 3.22 3.19 3dlbB1 ARG 580 HD3 -0.03 0.15 0.30 -0.04 3.22 3.60 3dlbB1 VAL 581 H -0.24 0.32 0.11 -0.55 8.24 7.87 3dlbB1 VAL 581 HA -0.11 0.32 1.01 -0.75 4.13 4.59 3dlbB1 VAL 581 HB -0.05 0.00 -0.02 -0.04 2.12 2.01 3dlbB1 VAL 581 HG13 -0.00 -0.02 -0.26 -0.04 0.97 0.65 3dlbB1 VAL 581 HG23 -0.03 -0.01 -0.31 -0.04 0.95 0.56 3dlbB1 TYR 582 H 0.10 0.73 0.31 -0.55 8.29 8.88 3dlbB1 TYR 582 HA 0.16 0.17 0.84 -0.75 4.56 4.97 3dlbB1 TYR 582 HB2 0.23 -0.02 0.02 -0.04 3.06 3.25 3dlbB1 TYR 582 HB3 0.24 0.08 0.01 -0.04 2.98 3.27 3dlbB1 TYR 582 HD2 0.16 0.02 -0.08 -0.04 7.15 7.21 3dlbB1 TYR 582 HE2 0.13 0.03 -0.05 -0.04 6.85 6.91 3dlbB1 PRO 583 HA 0.06 0.10 0.55 -0.51 4.44 4.65 3dlbB1 PRO 583 HB2 0.07 -0.10 -0.36 -0.04 2.28 1.85 3dlbB1 PRO 583 HB3 0.04 -0.02 -0.19 -0.04 2.02 1.80 3dlbB1 PRO 583 HG2 0.26 0.12 -0.17 -0.04 2.03 2.20 3dlbB1 PRO 583 HG3 0.04 0.02 -0.08 -0.04 2.03 1.96 3dlbB1 PRO 583 HD2 0.44 0.12 0.17 -0.04 3.68 4.36 3dlbB1 PRO 583 HD3 0.19 0.14 0.08 -0.04 3.65 4.02 3dlbB1 VAL 584 H -0.02 0.21 0.16 -0.55 8.24 8.05 3dlbB1 VAL 584 HA -0.02 0.11 0.37 -0.75 4.13 3.84 3dlbB1 VAL 584 HB -0.06 -0.05 0.19 -0.04 2.12 2.15 3dlbB1 VAL 584 HG13 -0.01 -0.00 -0.16 -0.04 0.97 0.76 3dlbB1 VAL 584 HG23 -0.32 0.01 -0.11 -0.04 0.95 0.50 3dlbB1 GLN 585 H 0.05 -0.18 0.02 -0.55 8.47 7.81 3dlbB1 GLN 585 HA 0.13 0.26 0.68 -0.75 4.36 4.68 3dlbB1 GLN 585 HB2 0.04 -0.09 -0.01 -0.04 2.15 2.05 3dlbB1 GLN 585 HB3 0.07 0.01 -0.01 -0.04 2.02 2.04 3dlbB1 GLN 585 HG2 0.07 -0.00 -0.49 -0.04 2.40 1.93 3dlbB1 GLN 585 HG3 0.05 -0.05 -0.08 -0.04 2.39 2.28 3dlbB1 GLN 585 HE21 0.10 -0.09 0.07 -0.04 6.97 7.01 3dlbB1 GLN 585 HE22 0.14 0.25 0.11 -0.04 7.69 8.16 3dlbB1 GLY 586 H 0.03 -0.11 0.07 -0.55 8.43 7.87 3dlbB1 GLY 586 HA2 0.03 0.14 0.47 -0.51 4.01 4.14 3dlbB1 GLY 586 HA3 0.01 -0.03 0.42 -0.51 4.01 3.89 3dlbB1 ARG 587 H -0.03 0.25 0.17 -0.55 8.46 8.29 3dlbB1 ARG 587 HA -0.16 0.15 0.58 -0.75 4.34 4.16 3dlbB1 ARG 587 HB2 -0.22 0.04 0.06 -0.04 1.90 1.74 3dlbB1 ARG 587 HB3 -0.18 0.08 -0.11 -0.04 1.80 1.55 3dlbB1 ARG 587 HG2 -0.06 -0.08 -0.04 -0.04 1.67 1.45 3dlbB1 ARG 587 HG3 -0.07 0.02 -0.21 -0.04 1.67 1.37 3dlbB1 ARG 587 HD2 -0.06 -0.02 -0.07 -0.04 3.22 3.03 3dlbB1 ARG 587 HD3 -0.11 0.05 -0.06 -0.04 3.22 3.06 3dlbB1 LEU 588 H -0.12 0.16 0.07 -0.55 8.37 7.94 3dlbB1 LEU 588 HA -0.03 0.01 0.51 -0.75 4.35 4.09 3dlbB1 LEU 588 HB2 -0.04 0.03 0.03 -0.04 1.64 1.62 3dlbB1 LEU 588 HB3 -0.02 0.10 -0.13 -0.04 1.64 1.55 3dlbB1 LEU 588 HG 0.01 -0.07 -0.08 -0.04 1.64 1.45 3dlbB1 LEU 588 HD13 0.03 0.03 -0.21 -0.04 0.93 0.73 3dlbB1 LEU 588 HD23 0.00 -0.01 -0.25 -0.04 0.89 0.60 3dlbB1 ALA 589 H -0.02 0.07 0.06 -0.55 8.40 7.96 3dlbB1 ALA 589 HA -0.01 0.09 0.36 -0.75 4.34 4.03 3dlbB1 ALA 589 HB3 -0.01 0.00 0.05 -0.04 1.41 1.41 3dlbB1 ASP 590 H 0.02 0.12 0.13 -0.55 8.40 8.12 3dlbB1 ASP 590 HA 0.05 -0.03 0.40 -0.75 4.63 4.30 3dlbB1 GLY 591 H 0.01 0.13 -0.06 -0.55 8.43 7.96 3dlbB1 GLY 591 HA2 -0.12 0.42 1.11 -0.51 4.01 4.90 3dlbB1 GLY 591 HA3 -0.61 0.00 0.27 -0.51 4.01 3.16 3dlbB1 LEU 592 H -0.13 0.79 0.31 -0.55 8.37 8.79 3dlbB1 LEU 592 HA -0.08 0.22 1.11 -0.75 4.35 4.85 3dlbB1 LEU 592 HB2 -0.03 0.03 -0.07 -0.04 1.64 1.53 3dlbB1 LEU 592 HB3 -0.02 -0.03 -0.19 -0.04 1.64 1.36 3dlbB1 LEU 592 HG -0.03 0.06 -0.16 -0.04 1.64 1.47 3dlbB1 LEU 592 HD13 -0.03 -0.08 -0.43 -0.04 0.93 0.35 3dlbB1 LEU 592 HD23 -0.03 -0.02 -0.21 -0.04 0.89 0.59 3dlbB1 TYR 593 H 0.07 0.59 0.22 -0.55 8.29 8.62 3dlbB1 TYR 593 HA -0.00 0.29 0.94 -0.75 4.56 5.03 3dlbB1 TYR 593 HB2 -0.21 0.02 -0.10 -0.04 3.06 2.72 3dlbB1 TYR 593 HB3 -0.09 0.04 0.10 -0.04 2.98 2.99 3dlbB1 TYR 593 HD2 -0.13 0.09 -0.05 -0.04 7.15 7.02 3dlbB1 TYR 593 HE2 -0.71 -0.02 -0.15 -0.04 6.85 5.94 3dlbB1 VAL 594 H 0.06 0.50 0.07 -0.55 8.24 8.32 3dlbB1 VAL 594 HA -0.17 0.28 1.16 -0.75 4.13 4.64 3dlbB1 VAL 594 HB -0.00 -0.10 0.09 -0.04 2.12 2.07 3dlbB1 VAL 594 HG13 -0.04 0.07 -0.23 -0.04 0.97 0.72 3dlbB1 VAL 594 HG23 -0.02 -0.01 -0.25 -0.04 0.95 0.63 3dlbB1 PRO 595 HA -0.01 0.04 0.57 -0.51 4.44 4.54 3dlbB1 PRO 595 HB2 -0.02 0.03 0.10 -0.04 2.28 2.34 3dlbB1 PRO 595 HB3 -0.05 -0.04 0.13 -0.04 2.02 2.02 3dlbB1 PRO 595 HG2 -0.17 0.01 0.09 -0.04 2.03 1.92 3dlbB1 PRO 595 HG3 -0.94 -0.04 -0.02 -0.04 2.03 0.99 3dlbB1 PRO 595 HD2 -0.05 0.37 0.37 -0.04 3.68 4.33 3dlbB1 PRO 595 HD3 -0.60 0.34 0.18 -0.04 3.65 3.53 3dlbB1 LEU 596 H 0.09 0.41 0.29 -0.55 8.37 8.61 3dlbB1 LEU 596 HA 0.05 0.19 0.81 -0.75 4.35 4.64 3dlbB1 LEU 596 HB2 0.05 0.09 -0.24 -0.04 1.64 1.51 3dlbB1 LEU 596 HB3 0.05 -0.31 0.15 -0.04 1.64 1.49 3dlbB1 LEU 596 HG 0.04 0.07 -0.43 -0.04 1.64 1.29 3dlbB1 LEU 596 HD13 0.01 -0.00 -0.16 -0.04 0.93 0.74 3dlbB1 LEU 596 HD23 0.06 0.04 -0.02 -0.04 0.89 0.92 3dlbB1 GLU 597 H 0.06 0.18 0.08 -0.55 8.60 8.38 3dlbB1 GLU 597 HA 0.06 0.04 0.63 -0.75 4.29 4.26 3dlbB1 GLU 597 HB2 0.06 0.05 0.06 -0.04 2.09 2.22 3dlbB1 GLU 597 HB3 0.11 -0.04 0.12 -0.04 1.99 2.13 3dlbB1 GLU 597 HG2 0.01 -0.00 0.15 -0.04 2.34 2.46 3dlbB1 GLU 597 HG3 0.03 0.05 0.06 -0.04 2.34 2.44 3dlbB1 ASP 598 H 0.05 0.18 0.28 -0.55 8.40 8.36 3dlbB1 LYS 599 H 0.08 0.09 0.12 -0.55 8.42 8.15 3dlbB1 LYS 599 HA 0.16 -0.04 0.33 -0.75 4.32 4.02 3dlbB1 LYS 599 HB2 0.05 0.23 0.06 -0.04 1.87 2.16 3dlbB1 LYS 599 HB3 0.13 0.03 0.29 -0.04 1.79 2.19 3dlbB1 LYS 599 HG2 0.06 -0.15 -0.05 -0.04 1.46 1.28 3dlbB1 LYS 599 HG3 0.01 0.05 -0.12 -0.04 1.46 1.36 3dlbB1 LYS 599 HD2 0.17 -0.05 0.07 -0.04 1.69 1.84 3dlbB1 LYS 599 HD3 0.04 -0.05 0.02 -0.04 1.68 1.65 3dlbB1 LYS 599 HE2 -0.09 -0.04 0.01 -0.04 2.99 2.82 3dlbB1 LYS 599 HE3 -0.18 0.40 0.12 -0.04 2.99 3.28 3dlbB1 THR 600 H 0.11 0.05 -0.67 -0.55 8.28 7.22 3dlbB1 THR 600 HA 0.03 0.32 1.08 -0.75 4.39 5.06 3dlbB1 THR 600 HB 0.02 -0.11 -0.14 -0.04 4.32 4.05 3dlbB1 THR 600 HG23 -0.08 0.02 -0.09 -0.04 1.22 1.03 3dlbB1 PHE 601 H -0.28 0.65 0.31 -0.55 8.34 8.47 3dlbB1 PHE 601 HA 0.00 0.13 0.62 -0.75 4.62 4.62 3dlbB1 PHE 601 HB2 0.07 0.07 -0.19 -0.04 3.15 3.06 3dlbB1 PHE 601 HB3 0.11 -0.08 -0.30 -0.04 3.06 2.75 3dlbB1 PHE 601 HD2 0.16 0.11 -0.43 -0.04 7.28 7.09 3dlbB1 PHE 601 HE2 0.02 -0.01 -0.19 -0.04 7.38 7.17 3dlbB1 PHE 601 HZ -0.03 -0.02 -0.22 -0.04 7.32 7.02 3dlbB1 LEU 602 H 0.14 0.72 0.29 -0.55 8.37 8.97 3dlbB1 LEU 602 HA -0.02 0.30 0.90 -0.75 4.35 4.78 3dlbB1 LEU 602 HB2 0.04 -0.11 0.01 -0.04 1.64 1.55 3dlbB1 LEU 602 HB3 0.02 -0.01 -0.06 -0.04 1.64 1.55 3dlbB1 LEU 602 HG 0.02 0.01 -0.08 -0.04 1.64 1.55 3dlbB1 LEU 602 HD13 0.00 -0.01 -0.16 -0.04 0.93 0.73 3dlbB1 LEU 602 HD23 -0.03 0.02 -0.18 -0.04 0.89 0.65 3dlbB1 LEU 603 H 0.06 0.39 0.29 -0.55 8.37 8.56 3dlbB1 LEU 603 HA 0.16 0.25 0.93 -0.75 4.35 4.94 3dlbB1 LEU 603 HB2 0.20 0.01 -0.09 -0.04 1.64 1.72 3dlbB1 LEU 603 HB3 0.12 -0.05 0.13 -0.04 1.64 1.80 3dlbB1 LEU 603 HG 0.19 0.02 -0.09 -0.04 1.64 1.71 3dlbB1 LEU 603 HD13 0.17 0.04 0.04 -0.04 0.93 1.14 3dlbB1 LEU 603 HD23 0.23 -0.02 -0.11 -0.04 0.89 0.95 3dlbB1 LEU 604 H 0.03 0.61 0.26 -0.55 8.37 8.72 3dlbB1 LEU 604 HA 0.06 0.20 0.99 -0.75 4.35 4.84 3dlbB1 LEU 604 HB2 0.02 -0.05 -0.23 -0.04 1.64 1.34 3dlbB1 LEU 604 HB3 0.01 -0.10 -0.03 -0.04 1.64 1.48 3dlbB1 LEU 604 HG 0.03 0.09 -0.33 -0.04 1.64 1.39 3dlbB1 LEU 604 HD13 0.02 0.01 -0.18 -0.04 0.93 0.74 3dlbB1 LEU 604 HD23 0.00 -0.02 -0.20 -0.04 0.89 0.64 3dlbB1 THR 605 H 0.09 0.27 0.15 -0.55 8.28 8.24 3dlbB1 THR 605 HA 0.17 0.46 1.17 -0.75 4.39 5.44 3dlbB1 THR 605 HB 0.42 -0.05 -0.16 -0.04 4.32 4.49 3dlbB1 THR 605 HG23 0.12 0.00 -0.01 -0.04 1.22 1.30 3dlbB1 VAL 606 H 0.12 0.68 0.30 -0.55 8.24 8.78 3dlbB1 VAL 606 HA 0.05 -0.02 0.24 -0.75 4.13 3.64 3dlbB1 VAL 606 HB 0.05 -0.03 -0.11 -0.04 2.12 1.99 3dlbB1 VAL 606 HG13 0.04 0.15 0.16 -0.04 0.97 1.27 3dlbB1 VAL 606 HG23 0.02 -0.02 0.04 -0.04 0.95 0.95 3dlbB1 THR 613 HA 0.21 -0.09 0.21 -0.75 4.39 3.97 3dlbB1 THR 613 HB 0.19 0.10 0.01 -0.04 4.32 4.57 3dlbB1 THR 613 HG23 0.41 -0.03 0.03 -0.04 1.22 1.59 3dlbB1 PRO 614 HA 0.05 0.12 0.87 -0.51 4.44 4.97 3dlbB1 PRO 614 HB2 0.04 0.01 0.01 -0.04 2.28 2.30 3dlbB1 PRO 614 HB3 0.04 0.14 0.23 -0.04 2.02 2.39 3dlbB1 PRO 614 HG2 0.02 -0.03 -0.08 -0.04 2.03 1.90 3dlbB1 PRO 614 HG3 0.03 0.02 -0.12 -0.04 2.03 1.92 3dlbB1 PRO 614 HD2 0.11 0.07 0.01 -0.04 3.68 3.82 3dlbB1 PRO 614 HD3 0.08 0.08 -1.43 -0.04 3.65 2.34 3dlbB1 ARG 615 H 0.04 0.16 0.19 -0.55 8.46 8.30 3dlbB1 ARG 615 HA 0.02 0.21 0.85 -0.75 4.34 4.66 3dlbB1 ARG 615 HB2 0.04 0.01 0.06 -0.04 1.90 1.97 3dlbB1 ARG 615 HB3 0.04 -0.05 0.19 -0.04 1.80 1.93 3dlbB1 ARG 615 HG2 0.03 -0.11 -0.05 -0.04 1.67 1.50 3dlbB1 ARG 615 HG3 0.02 0.23 -0.02 -0.04 1.67 1.86 3dlbB1 ARG 615 HD2 0.04 0.03 0.02 -0.04 3.22 3.27 3dlbB1 ARG 615 HD3 0.03 -0.12 0.03 -0.04 3.22 3.12 3dlbB1 PRO 616 HA 0.03 0.18 0.63 -0.51 4.44 4.77 3dlbB1 PRO 616 HB2 -0.00 -0.03 -0.21 -0.04 2.28 2.00 3dlbB1 PRO 616 HB3 0.01 -0.03 -0.10 -0.04 2.02 1.85 3dlbB1 PRO 616 HG2 -0.02 -0.03 -0.36 -0.04 2.03 1.58 3dlbB1 PRO 616 HG3 -0.01 0.02 -0.19 -0.04 2.03 1.81 3dlbB1 PRO 616 HD2 -0.00 0.04 0.07 -0.04 3.68 3.75 3dlbB1 PRO 616 HD3 -0.01 0.35 0.21 -0.04 3.65 4.16 3dlbB1 LEU 617 H 0.03 0.47 0.35 -0.55 8.37 8.67 3dlbB1 LEU 617 HA 0.00 0.27 0.98 -0.75 4.35 4.84 3dlbB1 LEU 617 HB2 0.05 -0.01 0.22 -0.04 1.64 1.86 3dlbB1 LEU 617 HB3 0.00 -0.02 -0.06 -0.04 1.64 1.52 3dlbB1 LEU 617 HG 0.06 0.06 -0.05 -0.04 1.64 1.67 3dlbB1 LEU 617 HD13 0.08 -0.02 -0.07 -0.04 0.93 0.88 3dlbB1 LEU 617 HD23 0.03 -0.00 -0.03 -0.04 0.89 0.85 3dlbB1 LYS 618 H -0.05 0.56 0.20 -0.55 8.42 8.58 3dlbB1 LYS 618 HA -0.12 0.12 0.78 -0.75 4.32 4.35 3dlbB1 LYS 618 HB2 -0.07 -0.02 -0.07 -0.04 1.87 1.68 3dlbB1 LYS 618 HB3 -0.09 -0.03 -0.04 -0.04 1.79 1.60 3dlbB1 LYS 618 HG2 -0.12 -0.04 -0.20 -0.04 1.46 1.06 3dlbB1 LYS 618 HG3 -0.11 -0.01 -0.05 -0.04 1.46 1.24 3dlbB1 LYS 618 HD2 -0.08 0.10 -0.03 -0.04 1.69 1.64 3dlbB1 LYS 618 HD3 -0.11 0.01 -0.14 -0.04 1.68 1.40 3dlbB1 LYS 618 HE2 -0.14 -0.04 -0.10 -0.04 2.99 2.66 3dlbB1 LYS 618 HE3 -0.09 -0.06 -0.11 -0.04 2.99 2.69 3dlbB1 LEU 619 H -0.39 0.56 0.34 -0.55 8.37 8.34 3dlbB1 LEU 619 HA -0.20 0.31 1.03 -0.75 4.35 4.73 3dlbB1 LEU 619 HB2 -1.36 0.00 0.01 -0.04 1.64 0.25 3dlbB1 LEU 619 HB3 -0.38 -0.03 -0.03 -0.04 1.64 1.15 3dlbB1 LEU 619 HG -0.13 0.03 -0.20 -0.04 1.64 1.29 3dlbB1 LEU 619 HD13 -0.16 -0.02 -0.34 -0.04 0.93 0.37 3dlbB1 LEU 619 HD23 0.03 -0.02 -0.14 -0.04 0.89 0.72 3dlbB1 VAL 620 H -0.11 0.49 0.30 -0.55 8.24 8.37 3dlbB1 VAL 620 HA -0.03 0.32 1.16 -0.75 4.13 4.82 3dlbB1 VAL 620 HB -0.05 -0.13 0.10 -0.04 2.12 2.00 3dlbB1 VAL 620 HG13 -0.02 0.02 -0.19 -0.04 0.97 0.74 3dlbB1 VAL 620 HG23 -0.08 0.01 -0.25 -0.04 0.95 0.58 3dlbB1 HIS 621 H 0.18 0.72 0.29 -0.55 8.41 9.05 3dlbB1 HIS 621 HA 0.04 0.15 0.82 -0.75 4.63 4.89 3dlbB1 HIS 621 HB2 0.17 -0.04 0.08 -0.04 3.26 3.42 3dlbB1 HIS 621 HB3 0.08 0.01 0.30 -0.04 3.20 3.55 3dlbB1 HIS 621 HD2 0.03 0.07 0.02 -0.04 6.97 7.05 3dlbB1 HIS 621 HE1 -0.02 -0.07 -0.12 -0.04 7.75 7.50 3dlbB1 GLU 622 H 0.02 0.46 0.30 -0.55 8.60 8.83 3dlbB1 GLU 622 HA -0.08 0.11 0.53 -0.75 4.29 4.09 3dlbB1 GLU 622 HB2 -0.06 -0.02 -0.02 -0.04 2.09 1.95 3dlbB1 GLU 622 HB3 -0.06 -0.05 0.07 -0.04 1.99 1.91 3dlbB1 GLU 622 HG2 -0.04 0.01 -0.11 -0.04 2.34 2.16 3dlbB1 GLU 622 HG3 -0.04 0.13 -0.00 -0.04 2.34 2.39 3dlbB1 ALA 623 H -0.10 0.33 0.11 -0.55 8.40 8.19 3dlbB1 ALA 623 HA -0.15 0.13 0.48 -0.75 4.34 4.05 3dlbB1 ALA 623 HB3 0.13 0.01 -0.02 -0.04 1.41 1.49 3dlbB1 GLY 624 H -0.15 0.13 0.12 -0.55 8.43 7.97 3dlbB1 GLY 624 HA2 -0.23 0.13 0.54 -0.51 4.01 3.94 3dlbB1 GLY 624 HA3 0.13 0.18 1.15 -0.51 4.01 4.95 3dlbB1 ASP 625 H -0.06 0.22 0.11 -0.55 8.40 8.13 3dlbB1 ASP 625 HA 0.02 0.14 0.58 -0.75 4.63 4.61 3dlbB1 ASP 625 HB2 -0.07 -0.02 0.04 -0.04 2.71 2.62 3dlbB1 ASP 625 HB3 -0.05 0.03 0.17 -0.04 2.70 2.80 3dlbB1 THR 626 H 0.15 0.28 -0.37 -0.55 8.28 7.79 3dlbB1 THR 626 HA -0.03 0.22 0.88 -0.75 4.39 4.71 3dlbB1 THR 626 HB -0.10 -0.01 -0.04 -0.04 4.32 4.13 3dlbB1 THR 626 HG23 -0.11 0.03 -0.22 -0.04 1.22 0.89 3dlbB1 PRO 627 HA -0.05 0.07 0.39 -0.51 4.44 4.34 3dlbB1 PRO 627 HB2 -0.09 -0.14 0.10 -0.04 2.28 2.11 3dlbB1 PRO 627 HB3 -0.07 0.05 0.12 -0.04 2.02 2.07 3dlbB1 PRO 627 HG2 -0.04 0.08 0.09 -0.04 2.03 2.12 3dlbB1 PRO 627 HG3 -0.03 0.09 0.07 -0.04 2.03 2.12 3dlbB1 PRO 627 HD2 -0.05 0.09 0.19 -0.04 3.68 3.87 3dlbB1 PRO 627 HD3 -0.03 0.29 0.23 -0.04 3.65 4.09 3dlbB1 LEU 628 H -0.09 0.17 0.17 -0.55 8.37 8.08 3dlbB1 LEU 628 HA -0.28 0.14 0.37 -0.75 4.35 3.83 3dlbB1 LEU 628 HB2 -0.05 -0.03 0.12 -0.04 1.64 1.64 3dlbB1 LEU 628 HB3 -0.26 0.05 -0.08 -0.04 1.64 1.31 3dlbB1 LEU 628 HG 0.07 0.02 0.06 -0.04 1.64 1.74 3dlbB1 LEU 628 HD13 0.18 -0.02 -0.09 -0.04 0.93 0.96 3dlbB1 LEU 628 HD23 0.13 0.03 -0.06 -0.04 0.89 0.95 3dlbB1 GLU 629 H -0.25 0.08 -0.19 -0.55 8.60 7.69 3dlbB1 GLU 629 HA -1.00 0.12 0.37 -0.75 4.29 3.03 3dlbB1 ALA 630 H -0.17 0.08 -0.24 -0.55 8.40 7.53 3dlbB1 ALA 630 HA -0.02 0.09 0.33 -0.75 4.34 3.98 3dlbB1 ALA 630 HB3 -0.07 0.04 0.05 -0.04 1.41 1.39 3dlbB1 LEU 631 H -0.22 0.43 -0.28 -0.55 8.37 7.76 3dlbB1 LEU 631 HA -0.10 -0.00 0.31 -0.75 4.35 3.80 3dlbB1 LEU 631 HB2 -0.26 0.12 0.03 -0.04 1.64 1.48 3dlbB1 LEU 631 HB3 -0.13 0.06 -0.12 -0.04 1.64 1.40 3dlbB1 LEU 631 HG -0.06 -0.01 -0.11 -0.04 1.64 1.42 3dlbB1 LEU 631 HD13 -0.12 -0.02 -0.11 -0.04 0.93 0.64 3dlbB1 LEU 631 HD23 -0.54 0.03 -0.12 -0.04 0.89 0.22 3dlbB1 ALA 632 H -0.50 0.67 -0.16 -0.55 8.40 7.85 3dlbB1 ALA 632 HA -0.09 -0.00 0.32 -0.75 4.34 3.81 3dlbB1 ALA 632 HB3 -0.98 0.02 0.05 -0.04 1.41 0.47 3dlbB1 HIS 633 H -0.24 0.67 -0.20 -0.55 8.41 8.10 3dlbB1 HIS 633 HA -0.07 0.01 0.42 -0.75 4.63 4.23 3dlbB1 HIS 633 HB2 -0.19 0.15 0.15 -0.04 3.26 3.33 3dlbB1 HIS 633 HB3 -0.30 -0.02 -0.07 -0.04 3.20 2.77 3dlbB1 HIS 633 HD2 0.09 0.07 0.04 -0.04 6.97 7.13 3dlbB1 HIS 633 HE1 -0.08 -0.01 -0.04 -0.04 7.75 7.58 3dlbB1 GLN 634 H -0.07 0.50 -0.13 -0.55 8.47 8.22 3dlbB1 GLN 634 HA -0.29 0.06 0.46 -0.75 4.36 3.84 3dlbB1 GLN 634 HB2 -0.09 -0.03 0.06 -0.04 2.15 2.05 3dlbB1 GLN 634 HB3 -0.08 0.07 0.10 -0.04 2.02 2.07 3dlbB1 GLN 634 HG2 -0.12 -0.01 -0.21 -0.04 2.40 2.02 3dlbB1 GLN 634 HG3 -0.36 0.03 -0.01 -0.04 2.39 2.00 3dlbB1 GLN 634 HE21 0.02 0.34 -0.00 -0.04 6.97 7.28 3dlbB1 GLN 634 HE22 -0.28 0.04 -0.08 -0.04 7.69 7.33 3dlbB1 ILE 635 H 0.00 0.58 -0.14 -0.55 8.25 8.14 3dlbB1 ILE 635 HA 0.01 0.04 0.36 -0.75 4.18 3.84 3dlbB1 ILE 635 HB 0.14 0.06 0.04 -0.04 1.89 2.09 3dlbB1 ILE 635 HG12 0.05 0.34 0.01 -0.04 1.49 1.85 3dlbB1 ILE 635 HG13 0.15 -0.04 -0.14 -0.04 1.21 1.14 3dlbB1 ILE 635 HG23 0.09 -0.01 -0.18 -0.04 0.93 0.79 3dlbB1 ILE 635 HD13 0.04 -0.02 -0.13 -0.04 0.88 0.73 3dlbB1 PHE 636 H 0.21 0.55 -0.12 -0.55 8.34 8.43 3dlbB1 PHE 636 HA 0.07 0.01 0.32 -0.75 4.62 4.26 3dlbB1 PHE 636 HB2 0.05 0.07 0.09 -0.04 3.15 3.31 3dlbB1 PHE 636 HB3 0.11 0.09 0.13 -0.04 3.06 3.35 3dlbB1 PHE 636 HD2 0.22 0.03 -0.08 -0.04 7.28 7.40 3dlbB1 PHE 636 HE2 0.07 0.05 -0.11 -0.04 7.38 7.35 3dlbB1 PHE 636 HZ 0.04 -0.06 -0.18 -0.04 7.32 7.08 3dlbB1 HIS 637 H 0.21 0.61 -0.21 -0.55 8.41 8.47 3dlbB1 HIS 637 HA -0.22 0.01 0.41 -0.75 4.63 4.09 3dlbB1 HIS 637 HB2 -0.12 0.07 0.09 -0.04 3.26 3.26 3dlbB1 HIS 637 HB3 -0.08 -0.03 -0.02 -0.04 3.20 3.03 3dlbB1 HIS 637 HD2 0.35 -0.13 -0.04 -0.04 6.97 7.11 3dlbB1 HIS 637 HE1 0.09 -0.05 -0.07 -0.04 7.75 7.68 3dlbB1 LEU 638 H -0.01 0.37 -0.48 -0.55 8.37 7.70 3dlbB1 LEU 638 HA -0.07 0.02 0.44 -0.75 4.35 3.99 3dlbB1 LEU 638 HB2 -0.03 0.14 0.21 -0.04 1.64 1.92 3dlbB1 LEU 638 HB3 -0.04 -0.09 -0.01 -0.04 1.64 1.46 3dlbB1 LEU 638 HG -0.16 0.08 0.02 -0.04 1.64 1.54 3dlbB1 LEU 638 HD13 -0.07 -0.05 -0.09 -0.04 0.93 0.68 3dlbB1 LEU 638 HD23 -0.11 -0.03 0.00 -0.04 0.89 0.71 3dlbB1 THR 639 H -0.04 0.33 -0.44 -0.55 8.28 7.58 3dlbB1 THR 639 HA 0.04 0.01 0.39 -0.75 4.39 4.07 3dlbB1 THR 639 HB -0.03 0.17 0.15 -0.04 4.32 4.57 3dlbB1 THR 639 HG23 0.02 -0.04 -0.19 -0.04 1.22 0.97 3dlbB1 ARG 640 H -0.21 0.34 -0.22 -0.55 8.46 7.82 3dlbB1 ARG 640 HA -0.16 0.03 0.48 -0.75 4.34 3.93 3dlbB1 ARG 640 HB2 -0.28 0.11 0.14 -0.04 1.90 1.82 3dlbB1 ARG 640 HB3 -0.19 -0.05 -0.08 -0.04 1.80 1.43 3dlbB1 ARG 640 HG2 -0.55 -0.01 -0.06 -0.04 1.67 1.02 3dlbB1 ARG 640 HG3 -0.59 -0.03 -0.01 -0.04 1.67 0.99 3dlbB1 ARG 640 HD2 -0.17 0.03 0.05 -0.04 3.22 3.08 3dlbB1 ARG 640 HD3 -0.16 -0.01 0.12 -0.04 3.22 3.13 3dlbB1 LEU 641 H -0.06 0.40 -0.45 -0.55 8.37 7.72 3dlbB1 LEU 641 HA -0.01 0.04 0.89 -0.75 4.35 4.52 3dlbB1 LEU 641 HB2 0.00 -0.08 -0.00 -0.04 1.64 1.52 3dlbB1 LEU 641 HB3 -0.04 0.00 -0.09 -0.04 1.64 1.47 3dlbB1 LEU 641 HG -0.03 0.16 0.08 -0.04 1.64 1.81 3dlbB1 LEU 641 HD13 0.04 -0.04 -0.12 -0.04 0.93 0.77 3dlbB1 LEU 641 HD23 -0.02 -0.01 -0.10 -0.04 0.89 0.72 3dlbB1 TYR 642 H 0.12 0.09 -0.09 -0.55 8.29 7.86 3dlbB1 TYR 642 HA -0.00 0.20 0.16 -0.75 4.56 4.16 3dlbB1 TYR 642 HB2 -0.03 0.01 0.05 -0.04 3.06 3.06 3dlbB1 TYR 642 HB3 -0.02 -0.05 0.04 -0.04 2.98 2.90 3dlbB1 TYR 642 HD2 0.02 0.04 -0.00 -0.04 7.15 7.16 3dlbB1 TYR 642 HE2 0.05 -0.02 -0.02 -0.04 6.85 6.83