============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. PHE 4 1.000 176.606 76.655 13.682 -99.200 -91.000 HIS 23 0.900 180.316 86.626 7.646 -99.200 -91.000 PHE 29 1.000 172.796 79.130 0.283 -99.200 -91.000 TRP 40 1.040 166.534 81.289 6.950 -99.200 -91.000 TRP6 40 1.020 168.478 82.198 5.977 -99.200 -91.000 HIS 44 0.900 155.678 74.703 13.684 -99.200 -91.000 TYR 54 0.840 146.416 60.831 9.944 -99.200 -91.000 TYR 58 0.840 139.082 58.228 9.435 -99.200 -91.000 TRP 61 1.040 133.378 67.574 8.808 -99.200 -91.000 TRP6 61 1.020 132.837 69.510 10.034 -99.200 -91.000 TRP 73 1.040 149.983 61.032 15.920 -99.200 -91.000 TRP6 73 1.020 148.428 62.803 15.882 -99.200 -91.000 PHE 91 1.000 173.136 74.476 1.860 -99.200 -91.000 HIS 93 0.900 172.130 62.469 3.488 -99.200 -91.000 HIS 100 0.900 167.355 71.904 17.372 -99.200 -91.000 TYR 118 0.840 158.533 65.354 5.629 -99.200 -91.000 PHE 155 1.000 169.361 70.465 24.944 -99.200 -91.000 TRP 170 1.040 145.097 67.053 13.568 -99.200 -91.000 TRP6 170 1.020 144.138 64.900 13.504 -99.200 -91.000 TYR 172 0.840 138.865 70.140 22.966 -99.200 -91.000 TYR 180 0.840 131.146 70.027 21.691 -99.200 -91.000 PHE 210 1.000 127.587 91.644 43.618 -99.200 -91.000 PHE 215 1.000 130.056 95.997 53.548 -99.200 -91.000 PHE 216 1.000 123.977 99.577 57.054 -99.200 -91.000 HIS 221 0.900 135.665 108.505 65.364 -99.200 -91.000 PHE 230 1.000 143.403 103.527 69.247 -99.200 -91.000 TRP 234 1.040 130.724 95.226 67.335 -99.200 -91.000 TRP6 234 1.020 128.694 94.973 66.169 -99.200 -91.000 TYR 243 0.840 120.401 90.137 63.837 -99.200 -91.000 HIS 252 0.900 118.231 94.508 61.783 -99.200 -91.000 HIS 258 0.900 121.634 97.818 71.623 -99.200 -91.000 TYR 273 0.840 151.146 97.976 71.307 -99.200 -91.000 PHE 286 1.000 158.731 91.774 35.460 -99.200 -91.000 PHE 299 1.000 154.359 101.667 31.906 -99.200 -91.000 TYR 314 0.840 166.452 87.317 21.771 -99.200 -91.000 HIS 317 0.900 166.219 98.820 19.527 -99.200 -91.000 TYR 322 0.840 163.776 82.570 23.683 -99.200 -91.000 TYR 329 0.840 163.927 80.463 40.726 -99.200 -91.000 HIS 334 0.900 173.837 84.636 32.757 -99.200 -91.000 PHE 335 1.000 176.456 87.802 42.464 -99.200 -91.000 HIS 339 0.900 180.171 94.238 39.635 -99.200 -91.000 HIS 348 0.900 171.140 100.914 26.608 -99.200 -91.000 TRP 367 1.040 171.935 85.779 41.608 -99.200 -91.000 TRP6 367 1.020 172.295 86.779 39.504 -99.200 -91.000 HIS 375 0.900 163.586 78.913 28.791 -99.200 -91.000 HIS 376 0.900 169.201 83.749 30.929 -99.200 -91.000 TYR 397 0.840 166.626 98.215 29.000 -99.200 -91.000 TYR 404 0.840 170.332 92.008 36.571 -99.200 -91.000 PHE 408 1.000 172.267 92.202 41.554 -99.200 -91.000 PHE 414 1.000 155.063 96.231 53.687 -99.200 -91.000 PHE 428 1.000 133.914 98.330 69.413 -99.200 -91.000 PHE 434 1.000 154.280 102.269 60.166 -99.200 -91.000 TRP 440 1.040 161.081 94.128 47.578 -99.200 -91.000 TRP6 440 1.020 159.245 94.591 46.172 -99.200 -91.000 HIS 484 0.900 132.295 93.633 32.732 -99.200 -91.000 PHE 485 1.000 138.682 87.573 33.817 -99.200 -91.000 PHE 500 1.000 139.999 82.788 37.715 -99.200 -91.000 PHE 530 1.000 139.999 91.469 22.474 -99.200 -91.000 PHE 534 1.000 134.264 83.646 18.640 -99.200 -91.000 TYR 541 0.840 137.557 97.739 33.448 -99.200 -91.000 HIS 543 0.900 132.836 94.859 28.688 -99.200 -91.000 PHE 552 1.000 129.720 80.175 28.715 -99.200 -91.000 HIS 553 0.900 125.157 81.379 27.507 -99.200 -91.000 HIS 567 0.900 144.536 65.924 34.366 -99.200 -91.000 TRP 568 1.040 143.589 66.864 28.830 -99.200 -91.000 TRP6 568 1.020 141.839 67.774 27.533 -99.200 -91.000 TYR 582 0.840 152.977 60.556 22.552 -99.200 -91.000 PHE 585 1.000 148.960 64.977 27.062 -99.200 -91.000 TYR 594 0.840 136.974 56.554 22.286 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1d6mA1 MET 1 HA 0.02 0.02 0.21 -0.75 4.52 4.02 1d6mA1 MET 1 HB2 0.03 -0.06 -0.15 -0.04 2.15 1.93 1d6mA1 MET 1 HB3 0.04 -0.09 -0.01 -0.04 2.03 1.92 1d6mA1 MET 1 HG2 0.06 -0.06 -0.14 -0.04 2.63 2.46 1d6mA1 MET 1 HG3 0.05 0.15 -0.15 -0.04 2.56 2.56 1d6mA1 MET 1 HE3 0.20 -0.00 -0.16 -0.04 2.10 2.10 1d6mA1 ARG 2 H 0.03 0.43 0.16 -0.55 8.46 8.53 1d6mA1 ARG 2 HA -0.03 0.25 1.09 -0.75 4.34 4.89 1d6mA1 ARG 2 HB2 0.01 -0.00 0.07 -0.04 1.90 1.93 1d6mA1 ARG 2 HB3 0.06 0.02 0.24 -0.04 1.80 2.08 1d6mA1 ARG 2 HG2 -0.16 0.09 -0.04 -0.04 1.67 1.52 1d6mA1 ARG 2 HG3 -0.07 -0.05 -0.00 -0.04 1.67 1.51 1d6mA1 ARG 2 HD2 0.11 -0.00 -0.06 -0.04 3.22 3.23 1d6mA1 ARG 2 HD3 -0.54 -0.04 -0.19 -0.04 3.22 2.40 1d6mA1 LEU 3 H -0.08 0.56 0.32 -0.55 8.37 8.62 1d6mA1 LEU 3 HA -0.01 0.24 1.02 -0.75 4.35 4.85 1d6mA1 LEU 3 HB2 -0.03 0.06 -0.07 -0.04 1.64 1.56 1d6mA1 LEU 3 HB3 -0.05 -0.01 0.13 -0.04 1.64 1.67 1d6mA1 LEU 3 HG -0.03 -0.09 -0.39 -0.04 1.64 1.09 1d6mA1 LEU 3 HD13 -0.14 0.01 -0.15 -0.04 0.93 0.61 1d6mA1 LEU 3 HD23 0.02 0.02 -0.28 -0.04 0.89 0.61 1d6mA1 PHE 4 H 0.18 0.76 0.42 -0.55 8.34 9.15 1d6mA1 PHE 4 HA 0.00 0.20 0.93 -0.75 4.62 5.00 1d6mA1 PHE 4 HB2 -0.00 0.08 0.29 -0.04 3.15 3.48 1d6mA1 PHE 4 HB3 0.02 -0.06 0.04 -0.04 3.06 3.02 1d6mA1 PHE 4 HD2 0.00 0.03 -0.12 -0.04 7.28 7.16 1d6mA1 PHE 4 HE2 0.01 0.02 -0.11 -0.04 7.38 7.25 1d6mA1 PHE 4 HZ 0.01 0.05 -0.09 -0.04 7.32 7.25 1d6mA1 ILE 5 H 0.02 0.54 0.20 -0.55 8.25 8.46 1d6mA1 ILE 5 HA 0.07 0.11 0.67 -0.75 4.18 4.27 1d6mA1 ILE 5 HB -0.06 -0.06 0.17 -0.04 1.89 1.90 1d6mA1 ILE 5 HG12 -0.01 -0.01 -0.17 -0.04 1.49 1.26 1d6mA1 ILE 5 HG13 -0.02 0.03 -0.19 -0.04 1.21 0.99 1d6mA1 ILE 5 HG23 -0.02 -0.01 -0.19 -0.04 0.93 0.67 1d6mA1 ILE 5 HD13 -0.04 0.00 -0.09 -0.04 0.88 0.71 1d6mA1 ALA 6 H 0.18 0.68 0.16 -0.55 8.40 8.87 1d6mA1 ALA 6 HA 0.11 0.34 0.49 -0.75 4.34 4.53 1d6mA1 ALA 6 HB3 0.13 -0.02 0.02 -0.04 1.41 1.49 1d6mA1 GLU 7 H 0.06 0.29 0.23 -0.55 8.60 8.63 1d6mA1 GLU 7 HA 0.03 0.02 0.48 -0.75 4.29 4.07 1d6mA1 GLU 7 HB2 0.03 -0.09 0.22 -0.04 2.09 2.20 1d6mA1 GLU 7 HB3 0.04 0.00 0.12 -0.04 1.99 2.11 1d6mA1 GLU 7 HG2 0.05 0.01 -0.07 -0.04 2.34 2.28 1d6mA1 GLU 7 HG3 0.02 0.04 -0.31 -0.04 2.34 2.04 1d6mA1 LYS 8 H 0.02 0.17 0.04 -0.55 8.42 8.08 1d6mA1 LYS 8 HA 0.02 0.43 0.47 -0.75 4.32 4.48 1d6mA1 LYS 8 HB2 -0.11 -0.05 0.07 -0.04 1.87 1.74 1d6mA1 LYS 8 HB3 -0.02 0.08 0.08 -0.04 1.79 1.89 1d6mA1 LYS 8 HG2 0.01 0.02 -0.19 -0.04 1.46 1.27 1d6mA1 LYS 8 HG3 -0.02 -0.11 -0.03 -0.04 1.46 1.26 1d6mA1 LYS 8 HD2 0.01 0.05 -0.05 -0.04 1.69 1.65 1d6mA1 LYS 8 HD3 -0.08 -0.11 -0.05 -0.04 1.68 1.40 1d6mA1 LYS 8 HE2 -0.02 0.03 -0.03 -0.04 2.99 2.93 1d6mA1 LYS 8 HE3 0.02 0.01 -0.04 -0.04 2.99 2.93 1d6mA1 PRO 9 HA -1.45 0.16 0.29 -0.51 4.44 2.93 1d6mA1 PRO 9 HB2 -0.50 0.01 0.06 -0.04 2.28 1.81 1d6mA1 PRO 9 HB3 -1.14 0.10 0.04 -0.04 2.02 0.98 1d6mA1 PRO 9 HG2 -0.28 0.05 0.08 -0.04 2.03 1.83 1d6mA1 PRO 9 HG3 -0.66 0.12 0.05 -0.04 2.03 1.50 1d6mA1 PRO 9 HD2 -0.21 0.03 0.19 -0.04 3.68 3.65 1d6mA1 PRO 9 HD3 -0.18 0.31 0.21 -0.04 3.65 3.95 1d6mA1 SER 10 H -0.27 0.13 -0.08 -0.55 8.46 7.69 1d6mA1 SER 10 HA -0.22 0.11 0.32 -0.75 4.49 3.95 1d6mA1 SER 10 HB2 -0.15 0.11 0.05 -0.04 3.95 3.92 1d6mA1 SER 10 HB3 -0.16 -0.03 0.09 -0.04 3.93 3.80 1d6mA1 LEU 11 H -0.12 0.02 -0.29 -0.55 8.37 7.43 1d6mA1 LEU 11 HA -0.10 0.11 0.37 -0.75 4.35 3.98 1d6mA1 LEU 11 HB2 -0.02 -0.03 0.03 -0.04 1.64 1.59 1d6mA1 LEU 11 HB3 -0.02 -0.12 0.09 -0.04 1.64 1.56 1d6mA1 LEU 11 HG -0.00 0.06 -0.09 -0.04 1.64 1.57 1d6mA1 LEU 11 HD13 0.00 0.01 -0.02 -0.04 0.93 0.88 1d6mA1 LEU 11 HD23 0.04 -0.06 0.05 -0.04 0.89 0.88 1d6mA1 ALA 12 H -0.18 0.30 -0.27 -0.55 8.40 7.71 1d6mA1 ALA 12 HA 0.01 0.03 0.45 -0.75 4.34 4.08 1d6mA1 ALA 12 HB3 0.04 0.03 -0.02 -0.04 1.41 1.41 1d6mA1 ARG 13 H -0.24 0.57 -0.06 -0.55 8.46 8.18 1d6mA1 ARG 13 HA -0.15 0.02 0.38 -0.75 4.34 3.84 1d6mA1 ARG 13 HB2 -0.18 0.11 0.16 -0.04 1.90 1.95 1d6mA1 ARG 13 HB3 -0.14 0.00 0.01 -0.04 1.80 1.63 1d6mA1 ARG 13 HG2 -0.16 0.00 -0.01 -0.04 1.67 1.46 1d6mA1 ARG 13 HG3 -0.30 0.01 -0.04 -0.04 1.67 1.30 1d6mA1 ARG 13 HD2 -0.17 0.02 -0.03 -0.04 3.22 3.00 1d6mA1 ARG 13 HD3 -0.15 0.00 -0.04 -0.04 3.22 3.00 1d6mA1 ALA 14 H -0.14 0.38 -0.09 -0.55 8.40 8.01 1d6mA1 ALA 14 HA -0.11 0.01 0.28 -0.75 4.34 3.77 1d6mA1 ALA 14 HB3 -0.10 0.02 0.08 -0.04 1.41 1.37 1d6mA1 ILE 15 H -0.12 0.46 -0.21 -0.55 8.25 7.83 1d6mA1 ILE 15 HA -0.17 -0.00 0.35 -0.75 4.18 3.60 1d6mA1 ILE 15 HB -0.20 0.05 0.13 -0.04 1.89 1.83 1d6mA1 ILE 15 HG12 -0.09 -0.05 -0.02 -0.04 1.49 1.29 1d6mA1 ILE 15 HG13 -0.07 0.29 0.13 -0.04 1.21 1.51 1d6mA1 ILE 15 HG23 -0.75 -0.01 -0.14 -0.04 0.93 -0.01 1d6mA1 ILE 15 HD13 0.06 -0.03 -0.07 -0.04 0.88 0.81 1d6mA1 ALA 16 H -0.17 0.58 -0.04 -0.55 8.40 8.22 1d6mA1 ALA 16 HA -0.23 -0.02 0.23 -0.75 4.34 3.57 1d6mA1 ALA 16 HB3 -0.21 -0.02 0.06 -0.04 1.41 1.20 1d6mA1 ASP 17 H -0.21 0.80 -0.10 -0.55 8.40 8.34 1d6mA1 ASP 17 HA -0.18 -0.06 0.32 -0.75 4.63 3.96 1d6mA1 ASP 17 HB2 -0.11 0.01 -0.03 -0.04 2.71 2.53 1d6mA1 ASP 17 HB3 -0.09 0.19 0.04 -0.04 2.70 2.80 1d6mA1 VAL 18 H -0.10 0.47 -0.23 -0.55 8.24 7.83 1d6mA1 VAL 18 HA 0.00 0.08 0.84 -0.75 4.13 4.29 1d6mA1 VAL 18 HB -0.02 -0.10 0.13 -0.04 2.12 2.09 1d6mA1 VAL 18 HG13 -0.03 0.02 0.01 -0.04 0.97 0.93 1d6mA1 VAL 18 HG23 -0.08 0.04 -0.14 -0.04 0.95 0.73 1d6mA1 LEU 19 H -0.07 0.54 -0.22 -0.55 8.37 8.08 1d6mA1 LEU 19 HA -0.00 0.04 0.61 -0.75 4.35 4.24 1d6mA1 LEU 19 HB2 -0.11 0.17 0.14 -0.04 1.64 1.80 1d6mA1 LEU 19 HB3 -0.01 -0.03 0.04 -0.04 1.64 1.60 1d6mA1 LEU 19 HG -0.21 0.04 -0.18 -0.04 1.64 1.24 1d6mA1 LEU 19 HD13 -0.43 -0.05 -0.25 -0.04 0.93 0.16 1d6mA1 LEU 19 HD23 -0.03 -0.01 -0.04 -0.04 0.89 0.78 1d6mA1 PRO 20 HA 0.04 0.02 0.30 -0.51 4.44 4.29 1d6mA1 PRO 20 HB2 0.05 -0.12 -0.15 -0.04 2.28 2.02 1d6mA1 PRO 20 HB3 0.03 -0.08 0.02 -0.04 2.02 1.95 1d6mA1 PRO 20 HG2 0.04 0.11 -0.13 -0.04 2.03 2.01 1d6mA1 PRO 20 HG3 0.04 0.02 0.01 -0.04 2.03 2.05 1d6mA1 PRO 20 HD2 0.05 0.18 0.08 -0.04 3.68 3.95 1d6mA1 PRO 20 HD3 0.03 0.15 0.16 -0.04 3.65 3.95 1d6mA1 LYS 21 H -0.01 0.03 0.12 -0.55 8.42 8.01 1d6mA1 LYS 21 HA -0.17 0.09 0.31 -0.75 4.32 3.79 1d6mA1 LYS 21 HB2 -0.04 -0.05 0.15 -0.04 1.87 1.89 1d6mA1 LYS 21 HB3 -0.07 -0.02 0.01 -0.04 1.79 1.66 1d6mA1 LYS 21 HG2 -0.04 -0.01 0.05 -0.04 1.46 1.43 1d6mA1 LYS 21 HG3 -0.03 0.05 0.12 -0.04 1.46 1.55 1d6mA1 LYS 21 HD2 -0.01 0.02 0.05 -0.04 1.69 1.72 1d6mA1 LYS 21 HD3 -0.01 -0.03 0.07 -0.04 1.68 1.67 1d6mA1 LYS 21 HE2 -0.01 -0.02 0.02 -0.04 2.99 2.94 1d6mA1 LYS 21 HE3 -0.02 0.00 0.02 -0.04 2.99 2.96 1d6mA1 PRO 22 HA -0.11 0.06 0.68 -0.51 4.44 4.55 1d6mA1 PRO 22 HB2 0.01 0.03 0.00 -0.04 2.28 2.29 1d6mA1 PRO 22 HB3 -0.02 0.00 0.07 -0.04 2.02 2.03 1d6mA1 PRO 22 HG2 0.02 -0.00 0.06 -0.04 2.03 2.07 1d6mA1 PRO 22 HG3 -0.00 0.01 0.06 -0.04 2.03 2.06 1d6mA1 PRO 22 HD2 -0.00 0.02 -0.13 -0.04 3.68 3.52 1d6mA1 PRO 22 HD3 -0.03 0.05 0.13 -0.04 3.65 3.76 1d6mA1 HIS 23 H -0.11 0.16 0.21 -0.55 8.41 8.12 1d6mA1 HIS 23 HA 0.01 0.35 1.03 -0.75 4.63 5.27 1d6mA1 HIS 23 HB2 -0.01 -0.10 0.17 -0.04 3.26 3.28 1d6mA1 HIS 23 HB3 -0.00 -0.05 -0.11 -0.04 3.20 2.99 1d6mA1 HIS 23 HD2 -0.00 -0.02 -0.32 -0.04 6.97 6.58 1d6mA1 HIS 23 HE1 -0.02 0.05 -0.02 -0.04 7.75 7.71 1d6mA1 ARG 24 H 0.11 1.08 0.28 -0.55 8.46 9.37 1d6mA1 ARG 24 HA 0.05 0.10 0.75 -0.75 4.34 4.48 1d6mA1 ARG 24 HB2 0.11 -0.13 0.15 -0.04 1.90 1.99 1d6mA1 ARG 24 HB3 0.06 0.01 -0.03 -0.04 1.80 1.80 1d6mA1 ARG 24 HG2 0.07 0.03 -0.18 -0.04 1.67 1.55 1d6mA1 ARG 24 HG3 0.09 -0.01 -0.05 -0.04 1.67 1.66 1d6mA1 ARG 24 HD2 0.06 -0.02 -0.07 -0.04 3.22 3.14 1d6mA1 ARG 24 HD3 0.06 -0.01 -0.06 -0.04 3.22 3.17 1d6mA1 LYS 25 H 0.01 0.21 0.19 -0.55 8.42 8.27 1d6mA1 LYS 25 HA -0.04 0.03 0.52 -0.75 4.32 4.08 1d6mA1 LYS 25 HB2 -0.00 0.02 0.12 -0.04 1.87 1.97 1d6mA1 LYS 25 HB3 -0.01 -0.03 0.23 -0.04 1.79 1.95 1d6mA1 LYS 25 HG2 -0.04 0.03 -0.18 -0.04 1.46 1.23 1d6mA1 LYS 25 HG3 -0.00 0.02 0.01 -0.04 1.46 1.44 1d6mA1 LYS 25 HD2 -0.01 0.01 0.05 -0.04 1.69 1.69 1d6mA1 LYS 25 HD3 -0.01 -0.03 0.02 -0.04 1.68 1.62 1d6mA1 LYS 25 HE2 0.00 0.02 -0.01 -0.04 2.99 2.96 1d6mA1 LYS 25 HE3 -0.01 -0.01 0.01 -0.04 2.99 2.93 1d6mA1 GLY 26 H -0.39 0.42 0.25 -0.55 8.43 8.17 1d6mA1 GLY 26 HA2 -0.44 0.16 0.71 -0.51 4.01 3.93 1d6mA1 GLY 26 HA3 -2.14 -0.05 0.20 -0.51 4.01 1.51 1d6mA1 ASP 27 H -0.33 0.19 0.03 -0.55 8.40 7.74 1d6mA1 ASP 27 HA -0.03 0.17 0.84 -0.75 4.63 4.86 1d6mA1 ASP 27 HB2 0.13 -0.00 0.19 -0.04 2.71 2.98 1d6mA1 ASP 27 HB3 0.07 0.01 0.13 -0.04 2.70 2.86 1d6mA1 GLY 28 H -0.00 0.26 0.02 -0.55 8.43 8.17 1d6mA1 GLY 28 HA2 -0.64 0.01 0.24 -0.51 4.01 3.10 1d6mA1 GLY 28 HA3 -0.26 0.09 0.34 -0.51 4.01 3.67 1d6mA1 PHE 29 H -0.51 0.13 -0.47 -0.55 8.34 6.93 1d6mA1 PHE 29 HA -0.57 0.31 0.71 -0.75 4.62 4.32 1d6mA1 PHE 29 HB2 -0.42 -0.02 -0.10 -0.04 3.15 2.58 1d6mA1 PHE 29 HB3 -0.22 0.04 -0.37 -0.04 3.06 2.48 1d6mA1 PHE 29 HD2 -0.01 0.11 -0.27 -0.04 7.28 7.07 1d6mA1 PHE 29 HE2 0.09 0.04 -0.03 -0.04 7.38 7.43 1d6mA1 PHE 29 HZ 0.10 0.04 -0.03 -0.04 7.32 7.38 1d6mA1 ILE 30 H 0.13 0.29 0.13 -0.55 8.25 8.26 1d6mA1 ILE 30 HA -0.03 0.05 0.62 -0.75 4.18 4.07 1d6mA1 ILE 30 HB 0.12 0.03 0.13 -0.04 1.89 2.14 1d6mA1 ILE 30 HG12 0.06 -0.05 0.03 -0.04 1.49 1.49 1d6mA1 ILE 30 HG13 0.36 0.05 -0.26 -0.04 1.21 1.31 1d6mA1 ILE 30 HG23 -0.01 0.00 -0.34 -0.04 0.93 0.55 1d6mA1 ILE 30 HD13 0.01 -0.00 -0.16 -0.04 0.88 0.69 1d6mA1 GLU 31 H 0.11 0.81 0.24 -0.55 8.60 9.21 1d6mA1 GLU 31 HA 0.13 0.06 0.72 -0.75 4.29 4.45 1d6mA1 GLU 31 HB2 0.23 0.06 0.20 -0.04 2.09 2.53 1d6mA1 GLU 31 HB3 0.14 -0.01 0.05 -0.04 1.99 2.13 1d6mA1 GLU 31 HG2 0.17 0.02 0.02 -0.04 2.34 2.50 1d6mA1 GLU 31 HG3 0.35 -0.05 -0.02 -0.04 2.34 2.57 1d6mA1 CYS 32 H 0.07 0.62 0.46 -0.55 8.50 9.11 1d6mA1 CYS 32 HA 0.15 0.33 1.07 -0.75 4.58 5.38 1d6mA1 CYS 32 HB2 0.05 0.15 0.09 -0.04 2.97 3.22 1d6mA1 CYS 32 HB3 0.10 0.03 0.02 -0.04 2.97 3.08 1d6mA1 GLY 33 H 0.10 0.37 -0.00 -0.55 8.43 8.35 1d6mA1 GLY 33 HA2 0.05 -0.02 0.39 -0.51 4.01 3.91 1d6mA1 GLY 33 HA3 0.04 -0.05 0.24 -0.51 4.01 3.73 1d6mA1 ASN 34 H 0.03 0.06 0.14 -0.55 8.53 8.22 1d6mA1 ASN 34 HA 0.03 -0.03 0.33 -0.75 4.76 4.33 1d6mA1 ASN 34 HB2 0.03 -0.11 -0.11 -0.04 2.88 2.65 1d6mA1 ASN 34 HB3 0.05 0.19 0.02 -0.04 2.79 3.01 1d6mA1 ASN 34 HD21 0.03 -0.01 0.02 -0.04 7.03 7.02 1d6mA1 ASN 34 HD22 0.04 0.02 0.01 -0.04 7.74 7.76 1d6mA1 GLY 35 H 0.04 -0.00 -0.08 -0.55 8.43 7.84 1d6mA1 GLY 35 HA2 0.04 -0.02 0.30 -0.51 4.01 3.82 1d6mA1 GLY 35 HA3 0.04 0.02 0.43 -0.51 4.01 3.98 1d6mA1 GLN 36 H 0.05 0.30 -0.14 -0.55 8.47 8.14 1d6mA1 GLN 36 HA 0.10 0.18 0.96 -0.75 4.36 4.85 1d6mA1 GLN 36 HB2 0.07 0.28 -0.28 -0.04 2.15 2.19 1d6mA1 GLN 36 HB3 0.07 -0.12 0.00 -0.04 2.02 1.93 1d6mA1 GLN 36 HG2 0.10 -0.07 -0.05 -0.04 2.40 2.34 1d6mA1 GLN 36 HG3 0.25 -0.00 0.02 -0.04 2.39 2.62 1d6mA1 GLN 36 HE21 0.07 -0.08 0.03 -0.04 6.97 6.96 1d6mA1 GLN 36 HE22 0.07 -0.00 -0.10 -0.04 7.69 7.62 1d6mA1 VAL 37 H 0.04 0.61 0.29 -0.55 8.24 8.63 1d6mA1 VAL 37 HA -0.02 0.28 1.24 -0.75 4.13 4.88 1d6mA1 VAL 37 HB -0.31 -0.05 0.01 -0.04 2.12 1.73 1d6mA1 VAL 37 HG13 -0.66 -0.03 -0.11 -0.04 0.97 0.13 1d6mA1 VAL 37 HG23 -0.10 0.01 -0.14 -0.04 0.95 0.68 1d6mA1 VAL 38 H 0.02 0.53 0.31 -0.55 8.24 8.55 1d6mA1 VAL 38 HA 0.13 0.20 1.21 -0.75 4.13 4.92 1d6mA1 VAL 38 HB 0.10 -0.09 0.23 -0.04 2.12 2.32 1d6mA1 VAL 38 HG13 0.13 0.06 0.02 -0.04 0.97 1.14 1d6mA1 VAL 38 HG23 -0.09 0.02 -0.10 -0.04 0.95 0.74 1d6mA1 THR 39 H 0.04 0.39 0.19 -0.55 8.28 8.35 1d6mA1 THR 39 HA -0.22 0.25 1.07 -0.75 4.39 4.74 1d6mA1 THR 39 HB -0.23 -0.07 -0.08 -0.04 4.32 3.90 1d6mA1 THR 39 HG23 -0.04 -0.02 -0.12 -0.04 1.22 1.00 1d6mA1 TRP 40 H -0.40 0.32 0.19 -0.55 7.97 7.53 1d6mA1 TRP 40 HA 0.00 0.15 0.43 -0.75 4.62 4.44 1d6mA1 TRP 40 HB2 -0.01 -0.07 -0.39 -0.04 3.23 2.72 1d6mA1 TRP 40 HB3 -0.00 0.12 -0.40 -0.04 3.23 2.91 1d6mA1 TRP 40 HD1 0.00 0.29 -0.37 -0.04 7.22 7.10 1d6mA1 TRP 40 HE1 0.00 -0.05 -0.06 -0.04 10.20 10.05 1d6mA1 TRP 40 HE3 -0.01 0.11 -0.42 -0.04 7.59 7.22 1d6mA1 TRP 40 HZ2 -0.03 -0.06 -0.06 -0.04 7.44 7.25 1d6mA1 TRP 40 HZ3 -0.05 0.09 -0.36 -0.04 7.13 6.76 1d6mA1 TRP 40 HH2 -0.09 0.12 -0.15 -0.04 7.19 7.03 1d6mA1 CYS 41 H 0.18 0.41 0.04 -0.55 8.50 8.59 1d6mA1 CYS 41 HA 0.07 0.06 0.48 -0.75 4.58 4.43 1d6mA1 CYS 41 HB2 0.04 0.12 0.18 -0.04 2.97 3.27 1d6mA1 CYS 41 HB3 0.01 0.08 0.13 -0.04 2.97 3.14 1d6mA1 ILE 42 H 0.07 0.26 -0.08 -0.55 8.25 7.95 1d6mA1 ILE 42 HA 0.13 0.11 0.70 -0.75 4.18 4.36 1d6mA1 ILE 42 HB 0.09 -0.02 0.17 -0.04 1.89 2.10 1d6mA1 ILE 42 HG12 0.32 -0.01 -0.00 -0.04 1.49 1.76 1d6mA1 ILE 42 HG13 0.27 0.09 -0.41 -0.04 1.21 1.12 1d6mA1 ILE 42 HG23 0.09 -0.02 0.02 -0.04 0.93 0.98 1d6mA1 ILE 42 HD13 0.14 -0.02 0.01 -0.04 0.88 0.97 1d6mA1 GLY 43 H 0.02 0.13 -0.03 -0.55 8.43 8.00 1d6mA1 GLY 43 HA2 -0.04 -0.03 0.31 -0.51 4.01 3.74 1d6mA1 GLY 43 HA3 0.04 0.12 0.52 -0.51 4.01 4.18 1d6mA1 HIS 44 H 0.16 0.08 0.13 -0.55 8.41 8.24 1d6mA1 HIS 44 HA 0.00 -0.01 0.46 -0.75 4.63 4.33 1d6mA1 HIS 44 HB2 0.01 0.02 0.16 -0.04 3.26 3.41 1d6mA1 HIS 44 HB3 -0.01 0.18 0.04 -0.04 3.20 3.37 1d6mA1 HIS 44 HD2 0.02 -0.01 0.08 -0.04 6.97 7.02 1d6mA1 HIS 44 HE1 0.01 -0.02 -0.04 -0.04 7.75 7.65 1d6mA1 LEU 45 H 0.02 0.07 0.21 -0.55 8.37 8.12 1d6mA1 LEU 45 HA 0.01 0.14 0.57 -0.75 4.35 4.32 1d6mA1 LEU 45 HB2 -0.04 -0.03 0.10 -0.04 1.64 1.64 1d6mA1 LEU 45 HB3 -0.02 0.02 0.09 -0.04 1.64 1.70 1d6mA1 LEU 45 HG -0.00 -0.01 0.10 -0.04 1.64 1.68 1d6mA1 LEU 45 HD13 -0.01 0.01 -0.10 -0.04 0.93 0.79 1d6mA1 LEU 45 HD23 0.03 0.01 -0.08 -0.04 0.89 0.80 1d6mA1 LEU 46 H -0.02 -0.03 0.01 -0.55 8.37 7.79 1d6mA1 LEU 46 HA -0.16 0.19 0.55 -0.75 4.35 4.18 1d6mA1 LEU 46 HB2 -0.07 -0.07 -0.05 -0.04 1.64 1.41 1d6mA1 LEU 46 HB3 -0.15 -0.01 -0.02 -0.04 1.64 1.43 1d6mA1 LEU 46 HG -0.41 0.05 -0.15 -0.04 1.64 1.09 1d6mA1 LEU 46 HD13 -0.97 0.01 -0.32 -0.04 0.93 -0.39 1d6mA1 LEU 46 HD23 -0.13 -0.03 -0.16 -0.04 0.89 0.54 1d6mA1 GLU 47 H -0.06 0.39 0.27 -0.55 8.60 8.65 1d6mA1 GLU 47 HA -0.03 0.04 0.45 -0.75 4.29 3.99 1d6mA1 GLU 47 HB2 0.02 -0.07 0.10 -0.04 2.09 2.11 1d6mA1 GLU 47 HB3 0.01 0.08 -0.02 -0.04 1.99 2.01 1d6mA1 GLU 47 HG2 0.00 0.02 -0.29 -0.04 2.34 2.03 1d6mA1 GLU 47 HG3 0.01 -0.01 -0.23 -0.04 2.34 2.06 1d6mA1 GLN 48 H 0.04 0.13 0.10 -0.55 8.47 8.20 1d6mA1 GLN 48 HA 0.02 0.11 0.75 -0.75 4.36 4.49 1d6mA1 GLN 48 HB2 0.06 -0.10 0.11 -0.04 2.15 2.18 1d6mA1 GLN 48 HB3 0.10 0.10 0.01 -0.04 2.02 2.18 1d6mA1 GLN 48 HG2 -0.20 0.08 -0.02 -0.04 2.40 2.22 1d6mA1 GLN 48 HG3 0.01 0.04 -0.00 -0.04 2.39 2.40 1d6mA1 GLN 48 HE21 0.01 -0.05 -0.12 -0.04 6.97 6.76 1d6mA1 GLN 48 HE22 0.14 0.02 -0.02 -0.04 7.69 7.79 1d6mA1 ALA 49 H 0.00 0.41 0.29 -0.55 8.40 8.56 1d6mA1 ALA 49 HA 0.02 -0.03 0.26 -0.75 4.34 3.83 1d6mA1 ALA 49 HB3 -0.22 -0.00 -0.03 -0.04 1.41 1.12 1d6mA1 GLN 50 H 0.10 0.05 0.13 -0.55 8.47 8.20 1d6mA1 GLN 50 HA 0.53 0.21 0.65 -0.75 4.36 5.00 1d6mA1 GLN 50 HB2 0.14 -0.09 0.02 -0.04 2.15 2.18 1d6mA1 GLN 50 HB3 0.20 0.04 0.06 -0.04 2.02 2.27 1d6mA1 GLN 50 HG2 0.16 0.02 0.02 -0.04 2.40 2.56 1d6mA1 GLN 50 HG3 0.13 -0.00 0.02 -0.04 2.39 2.49 1d6mA1 GLN 50 HE21 0.26 -0.05 0.00 -0.04 6.97 7.15 1d6mA1 GLN 50 HE22 0.30 0.20 -0.08 -0.04 7.69 8.07 1d6mA1 PRO 51 HA 0.53 0.05 0.25 -0.51 4.44 4.76 1d6mA1 PRO 51 HB2 0.14 0.12 0.12 -0.04 2.28 2.61 1d6mA1 PRO 51 HB3 0.01 0.09 0.12 -0.04 2.02 2.21 1d6mA1 PRO 51 HG2 -0.11 0.08 0.11 -0.04 2.03 2.07 1d6mA1 PRO 51 HG3 -0.23 0.05 0.12 -0.04 2.03 1.93 1d6mA1 PRO 51 HD2 0.18 0.10 0.19 -0.04 3.68 4.11 1d6mA1 PRO 51 HD3 0.37 0.16 0.24 -0.04 3.65 4.38 1d6mA1 ASP 52 H 0.19 0.12 -0.24 -0.55 8.40 7.93 1d6mA1 ASP 52 HA 0.20 0.19 0.12 -0.75 4.63 4.39 1d6mA1 ASP 52 HB2 0.09 0.01 0.00 -0.04 2.71 2.77 1d6mA1 ASP 52 HB3 0.14 0.04 -0.04 -0.04 2.70 2.79 1d6mA1 ALA 53 H 0.06 0.54 -0.35 -0.55 8.40 8.11 1d6mA1 ALA 53 HA -0.04 0.04 0.42 -0.75 4.34 4.00 1d6mA1 ALA 53 HB3 -0.21 0.00 -0.00 -0.04 1.41 1.15 1d6mA1 TYR 54 H 0.16 0.43 -0.20 -0.55 8.29 8.13 1d6mA1 TYR 54 HA 0.02 0.10 0.66 -0.75 4.56 4.59 1d6mA1 TYR 54 HB2 0.20 0.10 0.09 -0.04 3.06 3.41 1d6mA1 TYR 54 HB3 0.07 -0.06 0.03 -0.04 2.98 2.97 1d6mA1 TYR 54 HD2 -0.01 0.07 -0.04 -0.04 7.15 7.13 1d6mA1 TYR 54 HE2 -0.30 0.10 -0.07 -0.04 6.85 6.54 1d6mA1 ASP 55 H 0.29 0.35 -0.10 -0.55 8.40 8.39 1d6mA1 ASP 55 HA -0.03 0.09 0.58 -0.75 4.63 4.52 1d6mA1 ASP 55 HB2 -0.10 0.10 -0.31 -0.04 2.71 2.35 1d6mA1 ASP 55 HB3 -0.90 -0.05 0.01 -0.04 2.70 1.71 1d6mA1 SER 56 H -0.03 0.18 0.11 -0.55 8.46 8.17 1d6mA1 SER 56 HA 0.03 0.17 0.39 -0.75 4.49 4.33 1d6mA1 SER 56 HB2 -0.00 0.01 0.04 -0.04 3.95 3.96 1d6mA1 SER 56 HB3 0.00 0.07 0.11 -0.04 3.93 4.07 1d6mA1 ARG 57 H -0.12 0.08 -0.27 -0.55 8.46 7.60 1d6mA1 ARG 57 HA -0.01 0.08 0.43 -0.75 4.34 4.08 1d6mA1 ARG 57 HB2 -0.21 0.02 0.01 -0.04 1.90 1.69 1d6mA1 ARG 57 HB3 -0.06 0.05 0.08 -0.04 1.80 1.82 1d6mA1 ARG 57 HG2 -0.05 0.04 0.01 -0.04 1.67 1.62 1d6mA1 ARG 57 HG3 -0.04 0.01 -0.02 -0.04 1.67 1.58 1d6mA1 ARG 57 HD2 -0.06 -0.07 0.01 -0.04 3.22 3.06 1d6mA1 ARG 57 HD3 -0.14 -0.01 0.01 -0.04 3.22 3.04 1d6mA1 TYR 58 H -0.04 0.49 -0.35 -0.55 8.29 7.83 1d6mA1 TYR 58 HA 0.05 0.17 0.39 -0.75 4.56 4.41 1d6mA1 TYR 58 HB2 0.09 0.17 -0.18 -0.04 3.06 3.10 1d6mA1 TYR 58 HB3 0.06 -0.06 0.03 -0.04 2.98 2.97 1d6mA1 TYR 58 HD2 0.07 0.06 -0.02 -0.04 7.15 7.22 1d6mA1 TYR 58 HE2 0.02 0.01 -0.07 -0.04 6.85 6.77 1d6mA1 ALA 59 H 0.13 0.30 -0.53 -0.55 8.40 7.74 1d6mA1 ALA 59 HA 0.18 -0.02 0.46 -0.75 4.34 4.20 1d6mA1 ALA 59 HB3 0.08 -0.00 0.08 -0.04 1.41 1.53 1d6mA1 ARG 60 H 0.14 0.25 -0.16 -0.55 8.46 8.13 1d6mA1 ARG 60 HA 0.12 0.11 0.78 -0.75 4.34 4.61 1d6mA1 ARG 60 HB2 0.09 0.03 -0.07 -0.04 1.90 1.91 1d6mA1 ARG 60 HB3 0.06 -0.03 0.02 -0.04 1.80 1.80 1d6mA1 ARG 60 HG2 0.08 0.07 0.15 -0.04 1.67 1.92 1d6mA1 ARG 60 HG3 0.09 0.00 0.03 -0.04 1.67 1.76 1d6mA1 ARG 60 HD2 0.04 -0.01 -0.02 -0.04 3.22 3.19 1d6mA1 ARG 60 HD3 0.03 -0.05 0.02 -0.04 3.22 3.19 1d6mA1 TRP 61 H 0.31 0.14 0.09 -0.55 7.97 7.96 1d6mA1 TRP 61 HA -0.00 0.09 0.43 -0.75 4.62 4.39 1d6mA1 TRP 61 HB2 -0.00 -0.01 0.19 -0.04 3.23 3.37 1d6mA1 TRP 61 HB3 -0.02 0.01 -0.01 -0.04 3.23 3.17 1d6mA1 TRP 61 HD1 0.00 0.04 -0.24 -0.04 7.22 6.99 1d6mA1 TRP 61 HE1 -0.02 -0.03 -0.01 -0.04 10.20 10.11 1d6mA1 TRP 61 HE3 -0.02 0.01 0.03 -0.04 7.59 7.58 1d6mA1 TRP 61 HZ2 -0.03 -0.04 -0.02 -0.04 7.44 7.31 1d6mA1 TRP 61 HZ3 -0.01 0.07 0.06 -0.04 7.13 7.20 1d6mA1 TRP 61 HH2 -0.01 -0.02 -0.06 -0.04 7.19 7.05 1d6mA1 ASN 62 H 0.09 0.33 0.16 -0.55 8.53 8.56 1d6mA1 ASN 62 HA 0.08 0.10 0.77 -0.75 4.76 4.95 1d6mA1 ASN 62 HB2 0.06 0.00 0.02 -0.04 2.88 2.92 1d6mA1 ASN 62 HB3 0.09 0.07 -0.33 -0.04 2.79 2.58 1d6mA1 ASN 62 HD21 0.07 -0.04 -0.07 -0.04 7.03 6.96 1d6mA1 ASN 62 HD22 0.09 0.17 -0.04 -0.04 7.74 7.91 1d6mA1 LEU 63 H 0.02 0.22 0.08 -0.55 8.37 8.14 1d6mA1 LEU 63 HA -0.06 0.08 0.35 -0.75 4.35 3.96 1d6mA1 LEU 63 HB2 -0.00 0.04 0.14 -0.04 1.64 1.78 1d6mA1 LEU 63 HB3 -0.01 -0.00 0.06 -0.04 1.64 1.65 1d6mA1 LEU 63 HG -0.06 -0.03 0.03 -0.04 1.64 1.54 1d6mA1 LEU 63 HD13 -0.06 0.01 0.02 -0.04 0.93 0.87 1d6mA1 LEU 63 HD23 -0.01 0.02 -0.01 -0.04 0.89 0.84 1d6mA1 ALA 64 H 0.01 0.07 -0.15 -0.55 8.40 7.79 1d6mA1 ALA 64 HA 0.01 0.05 0.24 -0.75 4.34 3.89 1d6mA1 ALA 64 HB3 0.02 0.00 0.02 -0.04 1.41 1.41 1d6mA1 ASP 65 H 0.02 0.24 -0.35 -0.55 8.40 7.76 1d6mA1 ASP 65 HA 0.03 0.19 0.88 -0.75 4.63 4.98 1d6mA1 ASP 65 HB2 0.18 -0.01 0.14 -0.04 2.71 2.98 1d6mA1 ASP 65 HB3 0.09 -0.03 -0.03 -0.04 2.70 2.68 1d6mA1 LEU 66 H -0.05 0.57 -0.14 -0.55 8.37 8.21 1d6mA1 LEU 66 HA -0.15 -0.01 0.08 -0.75 4.35 3.52 1d6mA1 LEU 66 HB2 -0.12 0.25 0.25 -0.04 1.64 1.97 1d6mA1 LEU 66 HB3 -0.17 -0.02 0.03 -0.04 1.64 1.44 1d6mA1 LEU 66 HG -0.27 0.01 -0.08 -0.04 1.64 1.27 1d6mA1 LEU 66 HD13 -0.30 -0.03 -0.01 -0.04 0.93 0.54 1d6mA1 LEU 66 HD23 -0.19 -0.04 -0.04 -0.04 0.89 0.58 1d6mA1 PRO 67 HA -0.29 0.01 0.55 -0.51 4.44 4.19 1d6mA1 PRO 67 HB2 -0.47 -0.01 0.05 -0.04 2.28 1.81 1d6mA1 PRO 67 HB3 -0.53 -0.01 0.02 -0.04 2.02 1.47 1d6mA1 PRO 67 HG2 -0.33 0.01 0.01 -0.04 2.03 1.68 1d6mA1 PRO 67 HG3 -0.43 0.02 -0.02 -0.04 2.03 1.57 1d6mA1 PRO 67 HD2 -0.09 0.11 -0.18 -0.04 3.68 3.48 1d6mA1 PRO 67 HD3 -0.15 0.11 0.07 -0.04 3.65 3.64 1d6mA1 ILE 68 H -0.28 0.14 0.27 -0.55 8.25 7.83 1d6mA1 ILE 68 HA -0.32 0.14 0.79 -0.75 4.18 4.03 1d6mA1 ILE 68 HB -0.33 -0.05 0.26 -0.04 1.89 1.72 1d6mA1 ILE 68 HG12 -1.33 -0.08 0.01 -0.04 1.49 0.05 1d6mA1 ILE 68 HG13 -0.43 0.29 -0.16 -0.04 1.21 0.88 1d6mA1 ILE 68 HG23 -0.30 -0.04 -0.02 -0.04 0.93 0.53 1d6mA1 ILE 68 HD13 -0.35 -0.03 0.04 -0.04 0.88 0.49 1d6mA1 VAL 69 H -0.18 0.24 -0.05 -0.55 8.24 7.70 1d6mA1 VAL 69 HA -0.13 0.20 0.93 -0.75 4.13 4.38 1d6mA1 VAL 69 HB -0.07 -0.01 0.10 -0.04 2.12 2.10 1d6mA1 VAL 69 HG13 0.01 0.02 -0.09 -0.04 0.97 0.87 1d6mA1 VAL 69 HG23 -0.10 0.01 -0.24 -0.04 0.95 0.58 1d6mA1 PRO 70 HA -0.66 0.01 0.30 -0.51 4.44 3.58 1d6mA1 PRO 70 HB2 -2.35 -0.04 -0.15 -0.04 2.28 -0.30 1d6mA1 PRO 70 HB3 -1.48 0.08 -0.08 -0.04 2.02 0.50 1d6mA1 PRO 70 HG2 -2.70 0.01 -0.00 -0.04 2.03 -0.70 1d6mA1 PRO 70 HG3 -2.11 0.06 -0.03 -0.04 2.03 -0.09 1d6mA1 PRO 70 HD2 -0.74 0.09 0.12 -0.04 3.68 3.11 1d6mA1 PRO 70 HD3 -0.43 0.22 -0.26 -0.04 3.65 3.14 1d6mA1 GLU 71 H -0.23 0.10 0.16 -0.55 8.60 8.08 1d6mA1 GLU 71 HA -0.05 0.24 0.93 -0.75 4.29 4.66 1d6mA1 GLU 71 HB2 -0.04 -0.02 0.10 -0.04 2.09 2.09 1d6mA1 GLU 71 HB3 0.00 -0.03 0.15 -0.04 1.99 2.06 1d6mA1 GLU 71 HG2 -0.05 0.13 -0.10 -0.04 2.34 2.28 1d6mA1 GLU 71 HG3 -0.00 -0.04 0.01 -0.04 2.34 2.27 1d6mA1 LYS 72 H -0.19 0.05 -0.10 -0.55 8.42 7.63 1d6mA1 LYS 72 HA 0.08 0.13 0.69 -0.75 4.32 4.46 1d6mA1 LYS 72 HB2 0.01 -0.05 -0.10 -0.04 1.87 1.69 1d6mA1 LYS 72 HB3 0.04 0.03 0.10 -0.04 1.79 1.92 1d6mA1 LYS 72 HG2 0.05 0.03 0.11 -0.04 1.46 1.61 1d6mA1 LYS 72 HG3 0.03 -0.01 0.00 -0.04 1.46 1.44 1d6mA1 LYS 72 HD2 0.04 -0.02 -0.03 -0.04 1.69 1.64 1d6mA1 LYS 72 HD3 0.07 0.09 -0.11 -0.04 1.68 1.69 1d6mA1 LYS 72 HE2 0.03 -0.02 0.01 -0.04 2.99 2.96 1d6mA1 LYS 72 HE3 0.02 0.00 -0.01 -0.04 2.99 2.97 1d6mA1 TRP 73 H 0.35 0.13 -0.04 -0.55 7.97 7.87 1d6mA1 TRP 73 HA 0.02 0.04 0.45 -0.75 4.62 4.38 1d6mA1 TRP 73 HB2 -0.03 -0.01 0.04 -0.04 3.23 3.18 1d6mA1 TRP 73 HB3 -0.06 0.02 -0.08 -0.04 3.23 3.06 1d6mA1 TRP 73 HD1 -0.02 0.00 -0.16 -0.04 7.22 7.00 1d6mA1 TRP 73 HE1 0.01 0.06 -0.11 -0.04 10.20 10.13 1d6mA1 TRP 73 HE3 -0.33 0.02 -0.01 -0.04 7.59 7.22 1d6mA1 TRP 73 HZ2 -0.04 0.02 -0.03 -0.04 7.44 7.36 1d6mA1 TRP 73 HZ3 -1.03 0.01 0.01 -0.04 7.13 6.07 1d6mA1 TRP 73 HH2 0.07 0.02 0.07 -0.04 7.19 7.31 1d6mA1 GLN 74 H 0.28 0.16 0.18 -0.55 8.47 8.55 1d6mA1 GLN 74 HA 0.11 0.21 0.98 -0.75 4.36 4.91 1d6mA1 GLN 74 HB2 -0.24 -0.05 0.08 -0.04 2.15 1.89 1d6mA1 GLN 74 HB3 -0.07 0.06 -0.10 -0.04 2.02 1.87 1d6mA1 GLN 74 HG2 -0.00 0.03 -0.02 -0.04 2.40 2.36 1d6mA1 GLN 74 HG3 0.07 0.08 -0.22 -0.04 2.39 2.27 1d6mA1 GLN 74 HE21 -0.06 0.11 0.02 -0.04 6.97 7.00 1d6mA1 GLN 74 HE22 0.04 -0.00 -0.01 -0.04 7.69 7.67 1d6mA1 LEU 75 H 0.14 0.23 0.18 -0.55 8.37 8.38 1d6mA1 LEU 75 HA 0.04 0.16 1.07 -0.75 4.35 4.86 1d6mA1 LEU 75 HB2 0.17 0.04 0.02 -0.04 1.64 1.82 1d6mA1 LEU 75 HB3 -0.05 -0.07 0.02 -0.04 1.64 1.50 1d6mA1 LEU 75 HG 0.08 -0.01 -0.27 -0.04 1.64 1.40 1d6mA1 LEU 75 HD13 0.04 -0.01 -0.11 -0.04 0.93 0.81 1d6mA1 LEU 75 HD23 0.01 -0.01 -0.23 -0.04 0.89 0.62 1d6mA1 GLN 76 H -0.03 0.73 0.38 -0.55 8.47 9.00 1d6mA1 GLN 76 HA 0.03 0.23 0.92 -0.75 4.36 4.79 1d6mA1 GLN 76 HB2 0.01 -0.06 -0.17 -0.04 2.15 1.88 1d6mA1 GLN 76 HB3 -0.00 0.12 -0.36 -0.04 2.02 1.73 1d6mA1 GLN 76 HG2 0.02 0.05 -0.05 -0.04 2.40 2.39 1d6mA1 GLN 76 HG3 0.02 0.05 -0.09 -0.04 2.39 2.33 1d6mA1 GLN 76 HE21 0.04 -0.05 -0.10 -0.04 6.97 6.81 1d6mA1 GLN 76 HE22 0.02 0.08 -0.15 -0.04 7.69 7.60 1d6mA1 PRO 77 HA -0.16 0.07 0.33 -0.51 4.44 4.17 1d6mA1 PRO 77 HB2 -0.01 0.00 -0.03 -0.04 2.28 2.21 1d6mA1 PRO 77 HB3 -0.04 0.03 0.03 -0.04 2.02 2.00 1d6mA1 PRO 77 HG2 0.07 0.05 0.05 -0.04 2.03 2.15 1d6mA1 PRO 77 HG3 0.01 0.05 0.03 -0.04 2.03 2.07 1d6mA1 PRO 77 HD2 0.04 0.10 0.16 -0.04 3.68 3.93 1d6mA1 PRO 77 HD3 0.08 0.18 0.18 -0.04 3.65 4.05 1d6mA1 ARG 78 H -0.04 1.05 0.41 -0.55 8.46 9.32 1d6mA1 ARG 78 HA 0.01 0.07 0.54 -0.75 4.34 4.21 1d6mA1 ARG 78 HB2 0.02 0.10 -0.20 -0.04 1.90 1.78 1d6mA1 ARG 78 HB3 0.02 -0.04 0.12 -0.04 1.80 1.86 1d6mA1 ARG 78 HG2 0.03 -0.23 -0.08 -0.04 1.67 1.35 1d6mA1 ARG 78 HG3 0.03 -0.00 0.03 -0.04 1.67 1.69 1d6mA1 ARG 78 HD2 0.05 -0.07 0.00 -0.04 3.22 3.16 1d6mA1 ARG 78 HD3 0.07 0.39 0.03 -0.04 3.22 3.66 1d6mA1 PRO 79 HA 0.01 0.09 0.26 -0.51 4.44 4.29 1d6mA1 PRO 79 HB2 0.02 0.02 0.01 -0.04 2.28 2.29 1d6mA1 PRO 79 HB3 0.02 0.06 0.08 -0.04 2.02 2.14 1d6mA1 PRO 79 HG2 0.03 -0.03 0.10 -0.04 2.03 2.08 1d6mA1 PRO 79 HG3 0.03 0.07 0.07 -0.04 2.03 2.15 1d6mA1 PRO 79 HD2 0.02 0.05 0.22 -0.04 3.68 3.93 1d6mA1 PRO 79 HD3 0.02 0.31 0.20 -0.04 3.65 4.13 1d6mA1 SER 80 H 0.02 0.13 -0.12 -0.55 8.46 7.95 1d6mA1 SER 80 HA 0.02 0.11 0.39 -0.75 4.49 4.27 1d6mA1 SER 80 HB2 0.03 0.02 0.08 -0.04 3.95 4.03 1d6mA1 SER 80 HB3 0.03 0.00 0.07 -0.04 3.93 3.99 1d6mA1 VAL 81 H 0.02 0.32 -0.31 -0.55 8.24 7.72 1d6mA1 VAL 81 HA 0.03 0.16 0.95 -0.75 4.13 4.52 1d6mA1 VAL 81 HB 0.04 -0.11 0.22 -0.04 2.12 2.22 1d6mA1 VAL 81 HG13 0.05 0.04 -0.05 -0.04 0.97 0.96 1d6mA1 VAL 81 HG23 0.03 0.04 -0.00 -0.04 0.95 0.97 1d6mA1 THR 82 H 0.02 0.38 -0.26 -0.55 8.28 7.86 1d6mA1 THR 82 HA 0.00 0.07 0.36 -0.75 4.39 4.07 1d6mA1 THR 82 HB 0.01 -0.02 -0.03 -0.04 4.32 4.24 1d6mA1 THR 82 HG23 0.01 0.06 -0.16 -0.04 1.22 1.08 1d6mA1 LYS 83 H 0.01 0.15 -0.17 -0.55 8.42 7.86 1d6mA1 LYS 83 HA 0.00 0.10 0.43 -0.75 4.32 4.10 1d6mA1 LYS 83 HB2 0.01 0.04 0.04 -0.04 1.87 1.92 1d6mA1 LYS 83 HB3 0.02 0.03 0.08 -0.04 1.79 1.88 1d6mA1 LYS 83 HG2 0.02 0.03 -0.13 -0.04 1.46 1.34 1d6mA1 LYS 83 HG3 0.03 0.04 -0.00 -0.04 1.46 1.48 1d6mA1 LYS 83 HD2 0.02 0.05 0.03 -0.04 1.69 1.75 1d6mA1 LYS 83 HD3 0.03 -0.30 -0.01 -0.04 1.68 1.35 1d6mA1 LYS 83 HE2 0.04 0.20 0.17 -0.04 2.99 3.36 1d6mA1 LYS 83 HE3 0.05 -0.04 0.04 -0.04 2.99 3.00 1d6mA1 GLN 84 H 0.01 0.12 -0.27 -0.55 8.47 7.78 1d6mA1 GLN 84 HA -0.04 0.05 0.35 -0.75 4.36 3.97 1d6mA1 GLN 84 HB2 0.02 -0.05 0.10 -0.04 2.15 2.18 1d6mA1 GLN 84 HB3 0.01 0.10 0.11 -0.04 2.02 2.20 1d6mA1 GLN 84 HG2 -0.01 0.04 -0.02 -0.04 2.40 2.37 1d6mA1 GLN 84 HG3 -0.08 -0.01 0.01 -0.04 2.39 2.27 1d6mA1 GLN 84 HE21 -0.60 0.10 0.26 -0.04 6.97 6.69 1d6mA1 GLN 84 HE22 -0.41 0.01 0.17 -0.04 7.69 7.42 1d6mA1 LEU 85 H -0.00 0.38 -0.20 -0.55 8.37 8.00 1d6mA1 LEU 85 HA -0.01 -0.02 0.34 -0.75 4.35 3.92 1d6mA1 LEU 85 HB2 -0.02 -0.02 0.09 -0.04 1.64 1.65 1d6mA1 LEU 85 HB3 0.00 0.18 0.15 -0.04 1.64 1.92 1d6mA1 LEU 85 HG 0.05 0.04 -0.19 -0.04 1.64 1.50 1d6mA1 LEU 85 HD13 0.02 -0.03 -0.02 -0.04 0.93 0.86 1d6mA1 LEU 85 HD23 -0.07 0.00 -0.08 -0.04 0.89 0.70 1d6mA1 ASN 86 H -0.00 0.43 -0.25 -0.55 8.53 8.16 1d6mA1 ASN 86 HA -0.00 -0.01 0.46 -0.75 4.76 4.46 1d6mA1 ASN 86 HB2 -0.00 0.16 0.20 -0.04 2.88 3.20 1d6mA1 ASN 86 HB3 -0.02 -0.02 0.03 -0.04 2.79 2.73 1d6mA1 ASN 86 HD21 0.02 -0.02 -0.01 -0.04 7.03 6.97 1d6mA1 ASN 86 HD22 0.01 0.12 0.02 -0.04 7.74 7.86 1d6mA1 VAL 87 H -0.02 0.37 -0.15 -0.55 8.24 7.89 1d6mA1 VAL 87 HA -0.09 0.02 0.41 -0.75 4.13 3.71 1d6mA1 VAL 87 HB -0.03 0.07 0.15 -0.04 2.12 2.27 1d6mA1 VAL 87 HG13 0.21 -0.02 -0.11 -0.04 0.97 1.01 1d6mA1 VAL 87 HG23 -0.01 0.02 0.04 -0.04 0.95 0.95 1d6mA1 ILE 88 H -0.00 0.46 -0.08 -0.55 8.25 8.07 1d6mA1 ILE 88 HA 0.09 -0.03 0.29 -0.75 4.18 3.77 1d6mA1 ILE 88 HB 0.01 0.16 0.12 -0.04 1.89 2.13 1d6mA1 ILE 88 HG12 -0.02 -0.06 -0.06 -0.04 1.49 1.31 1d6mA1 ILE 88 HG13 -0.04 0.06 0.04 -0.04 1.21 1.23 1d6mA1 ILE 88 HG23 0.01 -0.01 -0.18 -0.04 0.93 0.70 1d6mA1 ILE 88 HD13 -0.02 -0.01 -0.16 -0.04 0.88 0.65 1d6mA1 LYS 89 H 0.01 0.53 -0.14 -0.55 8.42 8.27 1d6mA1 LYS 89 HA 0.04 0.02 0.36 -0.75 4.32 3.98 1d6mA1 LYS 89 HB2 0.02 0.09 0.11 -0.04 1.87 2.05 1d6mA1 LYS 89 HB3 -0.01 0.08 0.11 -0.04 1.79 1.92 1d6mA1 LYS 89 HG2 0.03 0.02 0.00 -0.04 1.46 1.47 1d6mA1 LYS 89 HG3 0.05 -0.02 -0.00 -0.04 1.46 1.44 1d6mA1 LYS 89 HD2 -0.01 -0.00 -0.02 -0.04 1.69 1.63 1d6mA1 LYS 89 HD3 -0.01 -0.00 -0.05 -0.04 1.68 1.57 1d6mA1 LYS 89 HE2 0.00 -0.02 -0.03 -0.04 2.99 2.91 1d6mA1 LYS 89 HE3 0.03 0.03 -0.03 -0.04 2.99 2.98 1d6mA1 ARG 90 H -0.08 0.59 -0.13 -0.55 8.46 8.28 1d6mA1 ARG 90 HA -0.12 -0.02 0.40 -0.75 4.34 3.85 1d6mA1 ARG 90 HB2 -0.20 -0.02 0.14 -0.04 1.90 1.78 1d6mA1 ARG 90 HB3 -0.34 0.22 0.28 -0.04 1.80 1.92 1d6mA1 ARG 90 HG2 -0.54 -0.01 -0.24 -0.04 1.67 0.84 1d6mA1 ARG 90 HG3 -0.31 -0.05 0.00 -0.04 1.67 1.26 1d6mA1 ARG 90 HD2 -0.46 -0.04 -0.00 -0.04 3.22 2.67 1d6mA1 ARG 90 HD3 -1.16 0.05 0.02 -0.04 3.22 2.09 1d6mA1 PHE 91 H -0.09 0.58 -0.03 -0.55 8.34 8.24 1d6mA1 PHE 91 HA -0.08 0.01 0.38 -0.75 4.62 4.17 1d6mA1 PHE 91 HB2 -0.09 0.08 0.01 -0.04 3.15 3.11 1d6mA1 PHE 91 HB3 -0.08 -0.04 -0.07 -0.04 3.06 2.83 1d6mA1 PHE 91 HD2 -0.15 0.05 -0.13 -0.04 7.28 7.00 1d6mA1 PHE 91 HE2 -0.47 -0.01 -0.11 -0.04 7.38 6.75 1d6mA1 PHE 91 HZ -1.67 -0.04 -0.10 -0.04 7.32 5.47 1d6mA1 LEU 92 H 0.06 0.58 -0.29 -0.55 8.37 8.17 1d6mA1 LEU 92 HA -0.01 -0.03 0.39 -0.75 4.35 3.95 1d6mA1 LEU 92 HB2 0.03 0.26 0.14 -0.04 1.64 2.03 1d6mA1 LEU 92 HB3 0.03 0.04 -0.03 -0.04 1.64 1.63 1d6mA1 LEU 92 HG -0.03 -0.02 -0.06 -0.04 1.64 1.48 1d6mA1 LEU 92 HD13 -0.02 -0.02 -0.06 -0.04 0.93 0.78 1d6mA1 LEU 92 HD23 0.02 -0.02 -0.16 -0.04 0.89 0.69 1d6mA1 HIS 93 H 0.08 0.37 -0.11 -0.55 8.41 8.20 1d6mA1 HIS 93 HA -0.01 0.20 0.81 -0.75 4.63 4.89 1d6mA1 HIS 93 HB2 -0.03 0.04 0.11 -0.04 3.26 3.35 1d6mA1 HIS 93 HB3 -0.02 -0.04 0.08 -0.04 3.20 3.17 1d6mA1 HIS 93 HD2 -0.01 -0.00 0.09 -0.04 6.97 7.00 1d6mA1 HIS 93 HE1 -0.01 -0.00 0.04 -0.04 7.75 7.73 1d6mA1 GLU 94 H 0.03 0.17 -0.21 -0.55 8.60 8.05 1d6mA1 GLU 94 HA 0.02 -0.00 0.39 -0.75 4.29 3.95 1d6mA1 GLU 94 HB2 0.03 0.01 0.13 -0.04 2.09 2.22 1d6mA1 GLU 94 HB3 0.09 -0.02 -0.09 -0.04 1.99 1.93 1d6mA1 GLU 94 HG2 -0.01 -0.03 0.01 -0.04 2.34 2.27 1d6mA1 GLU 94 HG3 -0.06 0.00 -0.02 -0.04 2.34 2.22 1d6mA1 ALA 95 H 0.02 0.29 -0.32 -0.55 8.40 7.85 1d6mA1 ALA 95 HA 0.01 0.15 0.48 -0.75 4.34 4.22 1d6mA1 ALA 95 HB3 -0.01 -0.01 -0.08 -0.04 1.41 1.27 1d6mA1 SER 96 H -0.01 0.60 0.32 -0.55 8.46 8.82 1d6mA1 SER 96 HA -0.03 0.13 0.87 -0.75 4.49 4.70 1d6mA1 SER 96 HB2 -0.01 -0.02 0.13 -0.04 3.95 4.01 1d6mA1 SER 96 HB3 -0.01 -0.12 0.10 -0.04 3.93 3.86 1d6mA1 GLU 97 H -0.03 0.38 0.36 -0.55 8.60 8.76 1d6mA1 GLU 97 HA -0.05 0.19 0.97 -0.75 4.29 4.65 1d6mA1 GLU 97 HB2 -0.07 -0.00 -0.00 -0.04 2.09 1.98 1d6mA1 GLU 97 HB3 -0.04 0.04 0.09 -0.04 1.99 2.05 1d6mA1 GLU 97 HG2 -0.02 -0.03 -0.03 -0.04 2.34 2.22 1d6mA1 GLU 97 HG3 -0.03 0.07 0.19 -0.04 2.34 2.53 1d6mA1 ILE 98 H -0.06 0.23 0.17 -0.55 8.25 8.04 1d6mA1 ILE 98 HA -0.11 0.18 1.09 -0.75 4.18 4.58 1d6mA1 ILE 98 HB -0.05 -0.02 0.11 -0.04 1.89 1.88 1d6mA1 ILE 98 HG12 -0.05 -0.02 -0.07 -0.04 1.49 1.31 1d6mA1 ILE 98 HG13 -0.06 -0.01 -0.41 -0.04 1.21 0.69 1d6mA1 ILE 98 HG23 -0.05 -0.02 -0.12 -0.04 0.93 0.69 1d6mA1 ILE 98 HD13 -0.07 0.05 -0.08 -0.04 0.88 0.73 1d6mA1 VAL 99 H -0.21 0.80 0.37 -0.55 8.24 8.65 1d6mA1 VAL 99 HA -0.14 0.12 1.05 -0.75 4.13 4.41 1d6mA1 VAL 99 HB -0.84 -0.01 0.10 -0.04 2.12 1.34 1d6mA1 VAL 99 HG13 -0.20 -0.01 -0.37 -0.04 0.97 0.35 1d6mA1 VAL 99 HG23 -0.54 0.01 -0.22 -0.04 0.95 0.16 1d6mA1 HIS 100 H 0.04 0.94 0.34 -0.55 8.41 9.18 1d6mA1 HIS 100 HA -0.04 -0.00 0.60 -0.75 4.63 4.43 1d6mA1 HIS 100 HB2 -0.04 -0.02 0.06 -0.04 3.26 3.22 1d6mA1 HIS 100 HB3 -0.07 0.07 0.18 -0.04 3.20 3.34 1d6mA1 HIS 100 HD2 -0.03 -0.00 -0.03 -0.04 6.97 6.86 1d6mA1 HIS 100 HE1 -0.07 0.18 0.09 -0.04 7.75 7.91 1d6mA1 ALA 101 H 0.10 0.49 0.24 -0.55 8.40 8.69 1d6mA1 ALA 101 HA 0.10 0.39 1.04 -0.75 4.34 5.12 1d6mA1 ALA 101 HB3 0.18 -0.03 -0.12 -0.04 1.41 1.41 1d6mA1 GLY 102 H 0.52 0.10 -0.16 -0.55 8.43 8.34 1d6mA1 GLY 102 HA2 0.06 -0.05 0.61 -0.51 4.01 4.13 1d6mA1 GLY 102 HA3 0.19 0.15 0.36 -0.51 4.01 4.19 1d6mA1 ASP 103 H 0.01 -0.04 0.17 -0.55 8.40 7.99 1d6mA1 ASP 103 HA -0.14 0.20 0.39 -0.75 4.63 4.32 1d6mA1 ASP 103 HB2 -0.02 -0.22 0.08 -0.04 2.71 2.51 1d6mA1 ASP 103 HB3 -0.20 0.04 -0.01 -0.04 2.70 2.49 1d6mA1 PRO 104 HA -0.20 0.23 0.29 -0.51 4.44 4.24 1d6mA1 PRO 104 HB2 -0.13 0.16 0.09 -0.04 2.28 2.36 1d6mA1 PRO 104 HB3 -0.18 0.05 0.04 -0.04 2.02 1.90 1d6mA1 PRO 104 HG2 -0.89 -0.08 0.03 -0.04 2.03 1.04 1d6mA1 PRO 104 HG3 -0.43 0.29 0.08 -0.04 2.03 1.93 1d6mA1 PRO 104 HD2 -1.47 -0.05 0.11 -0.04 3.68 2.22 1d6mA1 PRO 104 HD3 -0.48 0.20 0.24 -0.04 3.65 3.58 1d6mA1 ASP 105 H -0.15 0.20 -0.46 -0.55 8.40 7.44 1d6mA1 ASP 105 HA 0.02 0.23 0.73 -0.75 4.63 4.85 1d6mA1 ASP 105 HB2 -0.06 -0.23 0.21 -0.04 2.71 2.59 1d6mA1 ASP 105 HB3 -0.37 0.16 -0.07 -0.04 2.70 2.37 1d6mA1 ARG 106 H 0.01 0.13 0.16 -0.55 8.46 8.21 1d6mA1 ARG 106 HA 0.03 0.19 0.41 -0.75 4.34 4.22 1d6mA1 ARG 106 HB2 0.02 -0.14 0.16 -0.04 1.90 1.90 1d6mA1 ARG 106 HB3 0.02 0.28 0.12 -0.04 1.80 2.18 1d6mA1 ARG 106 HG2 0.02 0.14 0.12 -0.04 1.67 1.91 1d6mA1 ARG 106 HG3 0.04 0.01 0.11 -0.04 1.67 1.80 1d6mA1 ARG 106 HD2 0.04 -0.02 0.12 -0.04 3.22 3.31 1d6mA1 ARG 106 HD3 0.02 -0.14 0.11 -0.04 3.22 3.17 1d6mA1 GLU 107 H 0.01 0.07 0.04 -0.55 8.60 8.18 1d6mA1 GLU 107 HA 0.04 0.11 0.37 -0.75 4.29 4.05 1d6mA1 GLU 107 HB2 0.02 -0.03 0.11 -0.04 2.09 2.15 1d6mA1 GLU 107 HB3 0.04 0.08 0.09 -0.04 1.99 2.16 1d6mA1 GLU 107 HG2 0.02 0.02 0.06 -0.04 2.34 2.41 1d6mA1 GLU 107 HG3 0.02 0.06 0.12 -0.04 2.34 2.49 1d6mA1 GLY 108 H -0.00 0.05 -0.30 -0.55 8.43 7.63 1d6mA1 GLY 108 HA2 0.01 -0.01 0.29 -0.51 4.01 3.79 1d6mA1 GLY 108 HA3 -0.00 0.04 0.23 -0.51 4.01 3.76 1d6mA1 GLN 109 H 0.01 0.19 -0.57 -0.55 8.47 7.54 1d6mA1 GLN 109 HA 0.00 0.09 0.48 -0.75 4.36 4.18 1d6mA1 GLN 109 HB2 -0.03 0.16 0.14 -0.04 2.15 2.39 1d6mA1 GLN 109 HB3 0.03 0.04 0.09 -0.04 2.02 2.14 1d6mA1 GLN 109 HG2 0.06 0.00 -0.02 -0.04 2.40 2.40 1d6mA1 GLN 109 HG3 0.07 -0.08 -0.19 -0.04 2.39 2.15 1d6mA1 GLN 109 HE21 -0.23 0.05 -0.02 -0.04 6.97 6.74 1d6mA1 GLN 109 HE22 0.05 -0.05 -0.09 -0.04 7.69 7.56 1d6mA1 LEU 110 H 0.05 0.61 -0.03 -0.55 8.37 8.46 1d6mA1 LEU 110 HA 0.06 0.01 0.47 -0.75 4.35 4.14 1d6mA1 LEU 110 HB2 0.04 0.03 0.09 -0.04 1.64 1.76 1d6mA1 LEU 110 HB3 0.07 0.08 0.13 -0.04 1.64 1.87 1d6mA1 LEU 110 HG 0.07 -0.03 -0.14 -0.04 1.64 1.50 1d6mA1 LEU 110 HD13 0.02 -0.00 0.01 -0.04 0.93 0.91 1d6mA1 LEU 110 HD23 0.04 -0.02 -0.15 -0.04 0.89 0.72 1d6mA1 LEU 111 H 0.02 0.56 0.02 -0.55 8.37 8.43 1d6mA1 LEU 111 HA -0.05 -0.03 0.26 -0.75 4.35 3.77 1d6mA1 LEU 111 HB2 -0.08 0.01 0.07 -0.04 1.64 1.59 1d6mA1 LEU 111 HB3 -0.04 0.02 0.14 -0.04 1.64 1.72 1d6mA1 LEU 111 HG -0.11 0.02 -0.09 -0.04 1.64 1.43 1d6mA1 LEU 111 HD13 -0.44 -0.02 -0.18 -0.04 0.93 0.25 1d6mA1 LEU 111 HD23 -0.06 0.00 0.02 -0.04 0.89 0.82 1d6mA1 VAL 112 H -0.12 0.29 -0.10 -0.55 8.24 7.76 1d6mA1 VAL 112 HA -0.15 0.03 0.43 -0.75 4.13 3.69 1d6mA1 VAL 112 HB -1.59 0.07 0.05 -0.04 2.12 0.62 1d6mA1 VAL 112 HG13 -0.36 -0.01 -0.05 -0.04 0.97 0.51 1d6mA1 VAL 112 HG23 -0.20 0.01 -0.04 -0.04 0.95 0.68 1d6mA1 ASP 113 H 0.00 0.38 -0.25 -0.55 8.40 7.99 1d6mA1 ASP 113 HA 0.01 0.03 0.36 -0.75 4.63 4.27 1d6mA1 ASP 113 HB2 0.10 0.16 0.24 -0.04 2.71 3.17 1d6mA1 ASP 113 HB3 0.05 -0.08 -0.01 -0.04 2.70 2.63 1d6mA1 GLU 114 H 0.02 0.59 -0.01 -0.55 8.60 8.66 1d6mA1 GLU 114 HA 0.04 -0.01 0.30 -0.75 4.29 3.86 1d6mA1 GLU 114 HB2 0.04 -0.04 0.03 -0.04 2.09 2.08 1d6mA1 GLU 114 HB3 0.03 -0.00 0.07 -0.04 1.99 2.05 1d6mA1 GLU 114 HG2 0.04 0.30 0.06 -0.04 2.34 2.69 1d6mA1 GLU 114 HG3 0.02 -0.06 -0.11 -0.04 2.34 2.15 1d6mA1 VAL 115 H -0.00 0.34 -0.21 -0.55 8.24 7.81 1d6mA1 VAL 115 HA 0.04 -0.04 0.40 -0.75 4.13 3.77 1d6mA1 VAL 115 HB -0.03 0.19 0.15 -0.04 2.12 2.40 1d6mA1 VAL 115 HG13 0.01 0.01 -0.14 -0.04 0.97 0.81 1d6mA1 VAL 115 HG23 -0.02 -0.01 0.06 -0.04 0.95 0.94 1d6mA1 LEU 116 H -0.01 0.53 -0.07 -0.55 8.37 8.28 1d6mA1 LEU 116 HA 0.02 0.01 0.37 -0.75 4.35 4.00 1d6mA1 LEU 116 HB2 -0.00 0.17 0.21 -0.04 1.64 1.97 1d6mA1 LEU 116 HB3 0.01 -0.04 -0.02 -0.04 1.64 1.55 1d6mA1 LEU 116 HG -0.04 -0.03 0.00 -0.04 1.64 1.54 1d6mA1 LEU 116 HD13 -0.04 -0.01 -0.10 -0.04 0.93 0.73 1d6mA1 LEU 116 HD23 -0.02 -0.00 -0.04 -0.04 0.89 0.79 1d6mA1 ASP 117 H 0.05 0.44 -0.16 -0.55 8.40 8.18 1d6mA1 ASP 117 HA 0.03 0.06 0.60 -0.75 4.63 4.57 1d6mA1 ASP 117 HB2 0.03 -0.03 0.03 -0.04 2.71 2.69 1d6mA1 ASP 117 HB3 0.04 0.03 0.03 -0.04 2.70 2.77 1d6mA1 TYR 118 H 0.17 0.64 0.03 -0.55 8.29 8.59 1d6mA1 TYR 118 HA 0.01 0.04 0.50 -0.75 4.56 4.36 1d6mA1 TYR 118 HB2 0.01 -0.09 0.07 -0.04 3.06 3.01 1d6mA1 TYR 118 HB3 0.01 0.06 0.13 -0.04 2.98 3.15 1d6mA1 TYR 118 HD2 0.01 0.00 -0.16 -0.04 7.15 6.96 1d6mA1 TYR 118 HE2 0.00 0.09 -0.07 -0.04 6.85 6.83 1d6mA1 LEU 119 H 0.14 0.63 -0.11 -0.55 8.37 8.48 1d6mA1 LEU 119 HA 0.03 0.07 0.47 -0.75 4.35 4.16 1d6mA1 LEU 119 HB2 0.07 0.04 -0.02 -0.04 1.64 1.69 1d6mA1 LEU 119 HB3 0.07 -0.02 0.08 -0.04 1.64 1.73 1d6mA1 LEU 119 HG 0.17 0.08 0.01 -0.04 1.64 1.85 1d6mA1 LEU 119 HD13 0.05 -0.02 -0.14 -0.04 0.93 0.79 1d6mA1 LEU 119 HD23 0.17 -0.01 -0.09 -0.04 0.89 0.91 1d6mA1 GLN 120 H 0.01 0.22 -0.80 -0.55 8.47 7.35 1d6mA1 GLN 120 HA 0.00 0.06 0.26 -0.75 4.36 3.93 1d6mA1 GLN 120 HB2 -0.03 0.06 -0.21 -0.04 2.15 1.93 1d6mA1 GLN 120 HB3 -0.01 -0.09 0.07 -0.04 2.02 1.95 1d6mA1 GLN 120 HG2 -0.05 0.17 0.02 -0.04 2.40 2.51 1d6mA1 GLN 120 HG3 -0.11 0.09 -0.11 -0.04 2.39 2.23 1d6mA1 GLN 120 HE21 -0.05 -0.08 0.01 -0.04 6.97 6.81 1d6mA1 GLN 120 HE22 -0.09 0.05 0.02 -0.04 7.69 7.64 1d6mA1 LEU 121 H 0.02 0.30 -0.02 -0.55 8.37 8.12 1d6mA1 LEU 121 HA 0.04 0.06 0.41 -0.75 4.35 4.11 1d6mA1 LEU 121 HB2 0.00 0.05 0.06 -0.04 1.64 1.72 1d6mA1 LEU 121 HB3 0.00 -0.07 0.01 -0.04 1.64 1.54 1d6mA1 LEU 121 HG -0.05 -0.01 -0.13 -0.04 1.64 1.40 1d6mA1 LEU 121 HD13 -0.08 0.02 -0.06 -0.04 0.93 0.77 1d6mA1 LEU 121 HD23 -0.03 -0.02 -0.19 -0.04 0.89 0.62 1d6mA1 ALA 122 H 0.07 0.15 0.19 -0.55 8.40 8.25 1d6mA1 ALA 122 HA 0.03 0.12 0.38 -0.75 4.34 4.11 1d6mA1 ALA 122 HB3 0.05 -0.01 0.09 -0.04 1.41 1.49 1d6mA1 PRO 123 HA 0.01 0.09 0.32 -0.51 4.44 4.34 1d6mA1 PRO 123 HB2 0.01 -0.01 0.15 -0.04 2.28 2.38 1d6mA1 PRO 123 HB3 0.00 0.04 0.11 -0.04 2.02 2.13 1d6mA1 PRO 123 HG2 0.01 0.03 0.11 -0.04 2.03 2.14 1d6mA1 PRO 123 HG3 0.01 0.08 0.11 -0.04 2.03 2.18 1d6mA1 PRO 123 HD2 0.01 0.07 0.21 -0.04 3.68 3.93 1d6mA1 PRO 123 HD3 0.01 0.23 0.21 -0.04 3.65 4.05 1d6mA1 GLU 124 H 0.01 0.12 -0.09 -0.55 8.60 8.09 1d6mA1 GLU 124 HA 0.00 0.03 0.35 -0.75 4.29 3.92 1d6mA1 GLU 124 HB2 0.01 -0.03 0.10 -0.04 2.09 2.13 1d6mA1 GLU 124 HB3 0.00 0.01 0.01 -0.04 1.99 1.98 1d6mA1 GLU 124 HG2 -0.00 0.02 0.02 -0.04 2.34 2.34 1d6mA1 GLU 124 HG3 0.00 -0.03 0.03 -0.04 2.34 2.31 1d6mA1 LYS 125 H -0.01 0.25 -0.26 -0.55 8.42 7.84 1d6mA1 LYS 125 HA -0.02 0.16 0.79 -0.75 4.32 4.48 1d6mA1 LYS 125 HB2 -0.05 0.02 0.04 -0.04 1.87 1.84 1d6mA1 LYS 125 HB3 -0.07 0.01 0.04 -0.04 1.79 1.73 1d6mA1 LYS 125 HG2 -0.04 -0.01 -0.01 -0.04 1.46 1.36 1d6mA1 LYS 125 HG3 -0.05 -0.09 0.02 -0.04 1.46 1.29 1d6mA1 LYS 125 HD2 -0.09 0.01 -0.02 -0.04 1.69 1.56 1d6mA1 LYS 125 HD3 -0.08 0.06 0.08 -0.04 1.68 1.70 1d6mA1 LYS 125 HE2 -0.31 -0.15 0.04 -0.04 2.99 2.53 1d6mA1 LYS 125 HE3 -0.26 -0.10 -0.00 -0.04 2.99 2.58 1d6mA1 ARG 126 H -0.01 0.47 -0.16 -0.55 8.46 8.20 1d6mA1 ARG 126 HA -0.00 0.06 0.43 -0.75 4.34 4.07 1d6mA1 ARG 126 HB2 0.00 0.21 -0.16 -0.04 1.90 1.91 1d6mA1 ARG 126 HB3 0.01 0.00 -0.00 -0.04 1.80 1.76 1d6mA1 ARG 126 HG2 0.02 -0.08 0.09 -0.04 1.67 1.65 1d6mA1 ARG 126 HG3 0.01 0.03 -0.04 -0.04 1.67 1.63 1d6mA1 ARG 126 HD2 0.01 0.00 -0.05 -0.04 3.22 3.15 1d6mA1 ARG 126 HD3 0.01 0.01 -0.05 -0.04 3.22 3.15 1d6mA1 GLN 127 H -0.00 0.31 -0.18 -0.55 8.47 8.05 1d6mA1 GLN 127 HA 0.01 0.11 0.90 -0.75 4.36 4.63 1d6mA1 GLN 127 HB2 0.00 0.09 0.05 -0.04 2.15 2.25 1d6mA1 GLN 127 HB3 0.00 -0.04 0.15 -0.04 2.02 2.10 1d6mA1 GLN 127 HG2 0.00 0.03 -0.10 -0.04 2.40 2.29 1d6mA1 GLN 127 HG3 0.00 -0.02 -0.00 -0.04 2.39 2.33 1d6mA1 GLN 127 HE21 0.01 -0.06 0.00 -0.04 6.97 6.89 1d6mA1 GLN 127 HE22 0.01 0.04 -0.13 -0.04 7.69 7.56 1d6mA1 GLN 128 H -0.00 0.17 -0.28 -0.55 8.47 7.81 1d6mA1 GLN 128 HA -0.00 0.13 0.81 -0.75 4.36 4.55 1d6mA1 GLN 128 HB2 -0.02 0.11 0.12 -0.04 2.15 2.32 1d6mA1 GLN 128 HB3 -0.01 -0.02 0.20 -0.04 2.02 2.15 1d6mA1 GLN 128 HG2 -0.01 -0.04 0.00 -0.04 2.40 2.32 1d6mA1 GLN 128 HG3 -0.01 0.05 0.11 -0.04 2.39 2.50 1d6mA1 GLN 128 HE21 -0.00 -0.04 -0.02 -0.04 6.97 6.86 1d6mA1 GLN 128 HE22 -0.00 -0.07 -0.22 -0.04 7.69 7.36 1d6mA1 VAL 129 H 0.00 -0.01 -0.32 -0.55 8.24 7.36 1d6mA1 VAL 129 HA -0.02 0.23 0.72 -0.75 4.13 4.30 1d6mA1 VAL 129 HB -0.01 0.13 0.15 -0.04 2.12 2.35 1d6mA1 VAL 129 HG13 0.03 -0.00 -0.00 -0.04 0.97 0.96 1d6mA1 VAL 129 HG23 0.01 -0.02 -0.04 -0.04 0.95 0.85 1d6mA1 GLN 130 H -0.03 0.53 0.44 -0.55 8.47 8.86 1d6mA1 GLN 130 HA 0.02 0.07 1.12 -0.75 4.36 4.82 1d6mA1 GLN 130 HB2 -0.05 0.07 0.11 -0.04 2.15 2.24 1d6mA1 GLN 130 HB3 -0.03 0.02 -0.11 -0.04 2.02 1.86 1d6mA1 GLN 130 HG2 0.01 0.04 -0.16 -0.04 2.40 2.24 1d6mA1 GLN 130 HG3 0.01 -0.06 -0.05 -0.04 2.39 2.25 1d6mA1 GLN 130 HE21 -0.01 -0.03 0.01 -0.04 6.97 6.90 1d6mA1 GLN 130 HE22 -0.00 -0.07 -0.23 -0.04 7.69 7.35 1d6mA1 ARG 131 H 0.03 1.04 0.20 -0.55 8.46 9.18 1d6mA1 ARG 131 HA -0.12 0.24 1.06 -0.75 4.34 4.77 1d6mA1 ARG 131 HB2 -0.12 -0.06 -0.25 -0.04 1.90 1.43 1d6mA1 ARG 131 HB3 -0.05 -0.08 -0.05 -0.04 1.80 1.58 1d6mA1 ARG 131 HG2 -1.52 -0.06 -0.12 -0.04 1.67 -0.07 1d6mA1 ARG 131 HG3 -0.46 0.07 -0.25 -0.04 1.67 0.99 1d6mA1 ARG 131 HD2 -0.52 0.23 0.10 -0.04 3.22 2.99 1d6mA1 ARG 131 HD3 -0.68 -0.09 -0.05 -0.04 3.22 2.36 1d6mA1 CYS 132 H -0.07 0.69 0.25 -0.55 8.50 8.82 1d6mA1 CYS 132 HA 0.03 0.24 0.85 -0.75 4.58 4.95 1d6mA1 CYS 132 HB2 0.11 0.06 -0.17 -0.04 2.97 2.93 1d6mA1 CYS 132 HB3 0.11 -0.03 -0.03 -0.04 2.97 2.98 1d6mA1 LEU 133 H 0.00 0.31 0.05 -0.55 8.37 8.18 1d6mA1 LEU 133 HA -0.09 0.17 0.86 -0.75 4.35 4.55 1d6mA1 LEU 133 HB2 0.01 0.01 0.18 -0.04 1.64 1.81 1d6mA1 LEU 133 HB3 -0.05 0.05 0.04 -0.04 1.64 1.64 1d6mA1 LEU 133 HG -0.10 -0.02 -0.17 -0.04 1.64 1.30 1d6mA1 LEU 133 HD13 0.13 0.01 0.03 -0.04 0.93 1.05 1d6mA1 LEU 133 HD23 -0.43 0.01 -0.15 -0.04 0.89 0.28 1d6mA1 ILE 134 H -0.02 0.22 0.05 -0.55 8.25 7.95 1d6mA1 ILE 134 HA 0.05 0.15 0.84 -0.75 4.18 4.47 1d6mA1 ILE 134 HB 0.03 -0.03 0.05 -0.04 1.89 1.90 1d6mA1 ILE 134 HG12 0.02 0.04 -0.06 -0.04 1.49 1.45 1d6mA1 ILE 134 HG13 0.04 0.04 -0.27 -0.04 1.21 0.97 1d6mA1 ILE 134 HG23 0.06 0.02 -0.24 -0.04 0.93 0.73 1d6mA1 ILE 134 HD13 0.02 0.02 -0.12 -0.04 0.88 0.76 1d6mA1 ASN 135 H 0.11 0.11 0.18 -0.55 8.53 8.38 1d6mA1 ASN 135 HA 0.08 0.17 0.97 -0.75 4.76 5.22 1d6mA1 ASN 135 HB2 0.17 0.06 0.05 -0.04 2.88 3.11 1d6mA1 ASN 135 HB3 0.10 -0.05 0.04 -0.04 2.79 2.83 1d6mA1 ASN 135 HD21 0.00 0.45 0.13 -0.04 7.03 7.58 1d6mA1 ASN 135 HD22 0.04 0.01 -0.25 -0.04 7.74 7.50 1d6mA1 ASP 136 H 0.15 0.09 0.15 -0.55 8.40 8.25 1d6mA1 ASP 136 HA 0.26 0.21 0.81 -0.75 4.63 5.15 1d6mA1 ASP 136 HB2 0.20 0.05 -0.06 -0.04 2.71 2.86 1d6mA1 ASP 136 HB3 0.12 -0.02 0.11 -0.04 2.70 2.87 1d6mA1 LEU 137 H 0.01 0.26 0.12 -0.55 8.37 8.21 1d6mA1 LEU 137 HA -0.05 0.20 0.71 -0.75 4.35 4.46 1d6mA1 LEU 137 HB2 -0.23 0.17 0.11 -0.04 1.64 1.65 1d6mA1 LEU 137 HB3 -0.17 0.03 0.13 -0.04 1.64 1.59 1d6mA1 LEU 137 HG -0.49 -0.10 -0.24 -0.04 1.64 0.77 1d6mA1 LEU 137 HD13 -0.64 0.11 -0.04 -0.04 0.93 0.32 1d6mA1 LEU 137 HD23 -0.12 -0.01 -0.13 -0.04 0.89 0.59 1d6mA1 ASN 138 H 0.02 -0.02 -0.08 -0.55 8.53 7.90 1d6mA1 ASN 138 HA -0.01 0.22 0.60 -0.75 4.76 4.81 1d6mA1 ASN 138 HB2 0.03 -0.11 0.10 -0.04 2.88 2.85 1d6mA1 ASN 138 HB3 0.01 -0.02 0.10 -0.04 2.79 2.84 1d6mA1 ASN 138 HD21 0.03 0.86 0.27 -0.04 7.03 8.16 1d6mA1 ASN 138 HD22 0.05 -0.22 0.12 -0.04 7.74 7.64 1d6mA1 PRO 139 HA -0.02 0.17 0.35 -0.51 4.44 4.42 1d6mA1 PRO 139 HB2 -0.00 -0.05 0.07 -0.04 2.28 2.25 1d6mA1 PRO 139 HB3 -0.01 0.14 0.05 -0.04 2.02 2.16 1d6mA1 PRO 139 HG2 -0.01 0.04 0.09 -0.04 2.03 2.11 1d6mA1 PRO 139 HG3 -0.02 0.14 0.09 -0.04 2.03 2.20 1d6mA1 PRO 139 HD2 -0.00 0.03 0.22 -0.04 3.68 3.88 1d6mA1 PRO 139 HD3 -0.02 0.24 0.28 -0.04 3.65 4.11 1d6mA1 GLN 140 H 0.00 0.11 -0.18 -0.55 8.47 7.85 1d6mA1 GLN 140 HA 0.01 0.11 0.38 -0.75 4.36 4.11 1d6mA1 GLN 140 HB2 0.01 -0.08 0.03 -0.04 2.15 2.08 1d6mA1 GLN 140 HB3 0.01 0.05 0.01 -0.04 2.02 2.05 1d6mA1 GLN 140 HG2 0.01 0.04 0.01 -0.04 2.40 2.41 1d6mA1 GLN 140 HG3 0.01 0.06 0.02 -0.04 2.39 2.44 1d6mA1 GLN 140 HE21 0.00 0.03 0.03 -0.04 6.97 6.99 1d6mA1 GLN 140 HE22 0.00 0.04 0.01 -0.04 7.69 7.70 1d6mA1 ALA 141 H 0.02 0.09 -0.27 -0.55 8.40 7.69 1d6mA1 ALA 141 HA 0.04 0.02 0.37 -0.75 4.34 4.02 1d6mA1 ALA 141 HB3 0.05 0.04 0.04 -0.04 1.41 1.50 1d6mA1 VAL 142 H 0.01 0.43 -0.25 -0.55 8.24 7.88 1d6mA1 VAL 142 HA 0.02 -0.03 0.34 -0.75 4.13 3.70 1d6mA1 VAL 142 HB -0.03 0.12 0.03 -0.04 2.12 2.21 1d6mA1 VAL 142 HG13 -0.05 -0.00 -0.17 -0.04 0.97 0.70 1d6mA1 VAL 142 HG23 -0.03 0.07 -0.16 -0.04 0.95 0.80 1d6mA1 GLU 143 H 0.00 0.58 -0.13 -0.55 8.60 8.51 1d6mA1 GLU 143 HA 0.00 0.06 0.33 -0.75 4.29 3.93 1d6mA1 GLU 143 HB2 0.01 0.12 0.25 -0.04 2.09 2.43 1d6mA1 GLU 143 HB3 0.01 -0.06 0.01 -0.04 1.99 1.92 1d6mA1 GLU 143 HG2 -0.00 0.07 0.06 -0.04 2.34 2.43 1d6mA1 GLU 143 HG3 -0.00 0.19 0.03 -0.04 2.34 2.52 1d6mA1 ARG 144 H 0.03 0.59 -0.06 -0.55 8.46 8.46 1d6mA1 ARG 144 HA 0.04 -0.02 0.37 -0.75 4.34 3.97 1d6mA1 ARG 144 HB2 0.03 0.01 0.11 -0.04 1.90 2.01 1d6mA1 ARG 144 HB3 0.05 0.08 0.19 -0.04 1.80 2.08 1d6mA1 ARG 144 HG2 0.06 0.02 -0.10 -0.04 1.67 1.61 1d6mA1 ARG 144 HG3 0.04 -0.02 0.02 -0.04 1.67 1.67 1d6mA1 ARG 144 HD2 0.06 -0.03 -0.02 -0.04 3.22 3.19 1d6mA1 ARG 144 HD3 0.05 -0.03 -0.03 -0.04 3.22 3.17 1d6mA1 ALA 145 H 0.05 0.73 -0.02 -0.55 8.40 8.61 1d6mA1 ALA 145 HA 0.06 -0.04 0.31 -0.75 4.34 3.92 1d6mA1 ALA 145 HB3 0.05 -0.01 0.06 -0.04 1.41 1.47 1d6mA1 ILE 146 H 0.05 0.63 -0.17 -0.55 8.25 8.21 1d6mA1 ILE 146 HA 0.15 -0.04 0.35 -0.75 4.18 3.88 1d6mA1 ILE 146 HB 0.05 0.11 0.08 -0.04 1.89 2.09 1d6mA1 ILE 146 HG12 0.09 -0.11 -0.07 -0.04 1.49 1.36 1d6mA1 ILE 146 HG13 0.02 0.21 0.04 -0.04 1.21 1.44 1d6mA1 ILE 146 HG23 0.22 -0.03 -0.06 -0.04 0.93 1.03 1d6mA1 ILE 146 HD13 -0.14 -0.03 -0.12 -0.04 0.88 0.54 1d6mA1 ASP 147 H 0.05 0.52 -0.14 -0.55 8.40 8.28 1d6mA1 ASP 147 HA 0.05 0.00 0.45 -0.75 4.63 4.38 1d6mA1 ASP 147 HB2 0.04 0.16 0.16 -0.04 2.71 3.03 1d6mA1 ASP 147 HB3 0.04 -0.12 0.00 -0.04 2.70 2.58 1d6mA1 ARG 148 H 0.06 0.43 -0.23 -0.55 8.46 8.17 1d6mA1 ARG 148 HA 0.05 0.12 0.92 -0.75 4.34 4.68 1d6mA1 ARG 148 HB2 0.06 -0.06 0.09 -0.04 1.90 1.95 1d6mA1 ARG 148 HB3 0.05 -0.06 0.02 -0.04 1.80 1.78 1d6mA1 ARG 148 HG2 0.06 0.26 0.07 -0.04 1.67 2.02 1d6mA1 ARG 148 HG3 0.07 -0.08 0.05 -0.04 1.67 1.67 1d6mA1 ARG 148 HD2 0.05 0.08 -0.07 -0.04 3.22 3.25 1d6mA1 ARG 148 HD3 0.07 -0.10 -0.10 -0.04 3.22 3.05 1d6mA1 LEU 149 H 0.05 0.20 -0.12 -0.55 8.37 7.95 1d6mA1 LEU 149 HA 0.05 0.27 0.88 -0.75 4.35 4.80 1d6mA1 LEU 149 HB2 0.02 -0.08 0.10 -0.04 1.64 1.65 1d6mA1 LEU 149 HB3 0.01 -0.05 -0.02 -0.04 1.64 1.55 1d6mA1 LEU 149 HG 0.06 0.27 -0.04 -0.04 1.64 1.89 1d6mA1 LEU 149 HD13 -0.00 -0.04 -0.05 -0.04 0.93 0.79 1d6mA1 LEU 149 HD23 0.08 -0.02 -0.15 -0.04 0.89 0.76 1d6mA1 ARG 150 H 0.08 0.43 0.32 -0.55 8.46 8.73 1d6mA1 ARG 150 HA 0.08 0.09 0.65 -0.75 4.34 4.41 1d6mA1 ARG 150 HB2 0.40 -0.03 0.06 -0.04 1.90 2.29 1d6mA1 ARG 150 HB3 0.17 -0.06 0.14 -0.04 1.80 2.02 1d6mA1 ARG 150 HG2 0.11 0.12 -0.07 -0.04 1.67 1.79 1d6mA1 ARG 150 HG3 0.24 -0.02 0.02 -0.04 1.67 1.87 1d6mA1 ARG 150 HD2 0.07 -0.01 -0.04 -0.04 3.22 3.20 1d6mA1 ARG 150 HD3 0.10 0.01 -0.02 -0.04 3.22 3.26 1d6mA1 SER 151 H 0.06 0.09 0.17 -0.55 8.46 8.23 1d6mA1 SER 151 HA 0.05 0.25 0.79 -0.75 4.49 4.83 1d6mA1 SER 151 HB2 0.02 -0.09 0.13 -0.04 3.95 3.97 1d6mA1 SER 151 HB3 0.03 -0.05 0.08 -0.04 3.93 3.95 1d6mA1 ASN 152 H 0.07 0.60 0.17 -0.55 8.53 8.82 1d6mA1 ASN 152 HA 0.20 0.07 0.31 -0.75 4.76 4.59 1d6mA1 ASN 152 HB2 0.05 0.06 -0.32 -0.04 2.88 2.64 1d6mA1 ASN 152 HB3 0.07 0.06 0.04 -0.04 2.79 2.92 1d6mA1 ASN 152 HD21 0.18 -0.05 -0.06 -0.04 7.03 7.06 1d6mA1 ASN 152 HD22 0.09 0.09 -0.06 -0.04 7.74 7.82 1d6mA1 SER 153 H 0.06 0.20 -0.05 -0.55 8.46 8.12 1d6mA1 SER 153 HA 0.04 0.01 0.27 -0.75 4.49 4.05 1d6mA1 SER 153 HB2 -0.01 0.02 0.01 -0.04 3.95 3.94 1d6mA1 SER 153 HB3 0.01 0.07 0.14 -0.04 3.93 4.11 1d6mA1 GLU 154 H -0.05 0.17 -0.35 -0.55 8.60 7.83 1d6mA1 GLU 154 HA -0.16 0.02 0.45 -0.75 4.29 3.85 1d6mA1 GLU 154 HB2 -0.30 0.19 0.04 -0.04 2.09 1.98 1d6mA1 GLU 154 HB3 -0.87 0.00 -0.10 -0.04 1.99 0.98 1d6mA1 GLU 154 HG2 -0.25 0.01 0.07 -0.04 2.34 2.13 1d6mA1 GLU 154 HG3 -0.14 -0.04 0.06 -0.04 2.34 2.17 1d6mA1 PHE 155 H 0.13 0.80 -0.12 -0.55 8.34 8.59 1d6mA1 PHE 155 HA -0.03 0.15 0.84 -0.75 4.62 4.83 1d6mA1 PHE 155 HB2 -0.08 0.09 0.09 -0.04 3.15 3.21 1d6mA1 PHE 155 HB3 -0.06 -0.13 0.13 -0.04 3.06 2.96 1d6mA1 PHE 155 HD2 -0.05 0.07 0.02 -0.04 7.28 7.28 1d6mA1 PHE 155 HE2 -0.04 0.02 -0.11 -0.04 7.38 7.22 1d6mA1 PHE 155 HZ -0.03 0.02 -0.06 -0.04 7.32 7.21 1d6mA1 VAL 156 H 0.03 0.45 -0.14 -0.55 8.24 8.03 1d6mA1 VAL 156 HA 0.05 -0.05 0.22 -0.75 4.13 3.59 1d6mA1 VAL 156 HB 0.00 0.09 0.14 -0.04 2.12 2.30 1d6mA1 VAL 156 HG13 0.01 -0.03 -0.06 -0.04 0.97 0.84 1d6mA1 VAL 156 HG23 0.02 0.13 0.12 -0.04 0.95 1.18 1d6mA1 PRO 157 HA 0.01 -0.05 0.33 -0.51 4.44 4.23 1d6mA1 PRO 157 HB2 -0.00 0.10 0.03 -0.04 2.28 2.37 1d6mA1 PRO 157 HB3 -0.00 0.19 0.13 -0.04 2.02 2.29 1d6mA1 PRO 157 HG2 -0.03 0.13 0.01 -0.04 2.03 2.10 1d6mA1 PRO 157 HG3 -0.01 0.02 0.07 -0.04 2.03 2.06 1d6mA1 PRO 157 HD2 -0.02 0.20 -0.24 -0.04 3.68 3.58 1d6mA1 PRO 157 HD3 -0.01 0.09 0.09 -0.04 3.65 3.78 1d6mA1 LEU 158 H 0.05 0.33 -0.21 -0.55 8.37 7.99 1d6mA1 LEU 158 HA 0.03 -0.05 0.52 -0.75 4.35 4.10 1d6mA1 LEU 158 HB2 0.10 0.28 0.18 -0.04 1.64 2.17 1d6mA1 LEU 158 HB3 0.06 -0.16 0.02 -0.04 1.64 1.52 1d6mA1 LEU 158 HG 0.09 0.06 0.07 -0.04 1.64 1.82 1d6mA1 LEU 158 HD13 0.28 0.02 -0.00 -0.04 0.93 1.19 1d6mA1 LEU 158 HD23 0.08 -0.05 -0.08 -0.04 0.89 0.80 1d6mA1 CYS 159 H 0.05 0.45 -0.05 -0.55 8.50 8.41 1d6mA1 CYS 159 HA 0.03 -0.07 0.34 -0.75 4.58 4.13 1d6mA1 CYS 159 HB2 0.06 0.02 -0.02 -0.04 2.97 2.98 1d6mA1 CYS 159 HB3 0.04 0.18 0.19 -0.04 2.97 3.34 1d6mA1 VAL 160 H 0.01 0.53 -0.03 -0.55 8.24 8.20 1d6mA1 VAL 160 HA -0.01 -0.07 0.23 -0.75 4.13 3.53 1d6mA1 VAL 160 HB 0.02 0.12 0.03 -0.04 2.12 2.25 1d6mA1 VAL 160 HG13 0.08 -0.02 -0.03 -0.04 0.97 0.95 1d6mA1 VAL 160 HG23 -0.01 0.03 -0.02 -0.04 0.95 0.90 1d6mA1 SER 161 H 0.00 0.85 -0.16 -0.55 8.46 8.61 1d6mA1 SER 161 HA -0.06 -0.03 0.45 -0.75 4.49 4.09 1d6mA1 SER 161 HB2 -0.03 -0.03 0.10 -0.04 3.95 3.95 1d6mA1 SER 161 HB3 -0.01 0.08 0.24 -0.04 3.93 4.20 1d6mA1 ALA 162 H -0.00 0.68 0.00 -0.55 8.40 8.54 1d6mA1 ALA 162 HA -0.02 -0.04 0.49 -0.75 4.34 4.02 1d6mA1 ALA 162 HB3 0.02 -0.02 0.05 -0.04 1.41 1.41 1d6mA1 LEU 163 H -0.01 0.74 -0.03 -0.55 8.37 8.53 1d6mA1 LEU 163 HA -0.06 -0.03 0.36 -0.75 4.35 3.85 1d6mA1 LEU 163 HB2 -0.05 -0.02 -0.00 -0.04 1.64 1.54 1d6mA1 LEU 163 HB3 -0.04 0.07 0.05 -0.04 1.64 1.69 1d6mA1 LEU 163 HG -0.15 0.01 -0.18 -0.04 1.64 1.28 1d6mA1 LEU 163 HD13 -0.20 -0.03 -0.00 -0.04 0.93 0.66 1d6mA1 LEU 163 HD23 -0.14 0.00 -0.07 -0.04 0.89 0.64 1d6mA1 ALA 164 H 0.03 0.73 -0.10 -0.55 8.40 8.52 1d6mA1 ALA 164 HA 0.11 -0.04 0.38 -0.75 4.34 4.03 1d6mA1 ALA 164 HB3 0.00 0.05 0.10 -0.04 1.41 1.52 1d6mA1 ARG 165 H -0.06 0.45 -0.23 -0.55 8.46 8.07 1d6mA1 ARG 165 HA -0.01 0.01 0.45 -0.75 4.34 4.04 1d6mA1 ARG 165 HB2 -0.06 0.08 0.15 -0.04 1.90 2.03 1d6mA1 ARG 165 HB3 -0.02 0.16 0.23 -0.04 1.80 2.12 1d6mA1 ARG 165 HG2 0.01 -0.05 -0.21 -0.04 1.67 1.38 1d6mA1 ARG 165 HG3 0.00 -0.01 0.01 -0.04 1.67 1.63 1d6mA1 ARG 165 HD2 -0.01 -0.04 0.01 -0.04 3.22 3.14 1d6mA1 ARG 165 HD3 0.01 -0.09 -0.04 -0.04 3.22 3.05 1d6mA1 ALA 166 H -0.04 0.59 -0.03 -0.55 8.40 8.38 1d6mA1 ALA 166 HA 0.01 -0.04 0.44 -0.75 4.34 4.00 1d6mA1 ALA 166 HB3 -0.06 0.01 0.11 -0.04 1.41 1.42 1d6mA1 ARG 167 H -0.20 0.71 -0.02 -0.55 8.46 8.40 1d6mA1 ARG 167 HA -0.32 -0.02 0.35 -0.75 4.34 3.60 1d6mA1 ARG 167 HB2 -0.36 0.07 0.10 -0.04 1.90 1.67 1d6mA1 ARG 167 HB3 -1.05 -0.01 0.04 -0.04 1.80 0.74 1d6mA1 ARG 167 HG2 -1.46 -0.05 -0.01 -0.04 1.67 0.11 1d6mA1 ARG 167 HG3 -0.55 0.20 0.06 -0.04 1.67 1.34 1d6mA1 ARG 167 HD2 -0.49 -0.02 -0.11 -0.04 3.22 2.57 1d6mA1 ARG 167 HD3 -2.33 0.02 -0.05 -0.04 3.22 0.82 1d6mA1 ALA 168 H -0.01 0.73 -0.12 -0.55 8.40 8.46 1d6mA1 ALA 168 HA -0.09 -0.03 0.37 -0.75 4.34 3.84 1d6mA1 ALA 168 HB3 0.02 0.02 0.12 -0.04 1.41 1.53 1d6mA1 ASP 169 H 0.04 0.72 -0.07 -0.55 8.40 8.55 1d6mA1 ASP 169 HA 0.07 -0.12 0.42 -0.75 4.63 4.25 1d6mA1 ASP 169 HB2 0.09 0.21 0.25 -0.04 2.71 3.22 1d6mA1 ASP 169 HB3 0.10 -0.09 0.04 -0.04 2.70 2.71 1d6mA1 TRP 170 H 0.31 0.55 -0.04 -0.55 7.97 8.24 1d6mA1 TRP 170 HA 0.07 -0.05 0.47 -0.75 4.62 4.36 1d6mA1 TRP 170 HB2 0.13 -0.02 0.14 -0.04 3.23 3.43 1d6mA1 TRP 170 HB3 0.27 0.09 0.22 -0.04 3.23 3.76 1d6mA1 TRP 170 HD1 0.12 -0.06 0.02 -0.04 7.22 7.26 1d6mA1 TRP 170 HE1 0.13 0.07 0.02 -0.04 10.20 10.38 1d6mA1 TRP 170 HE3 0.23 0.03 -0.09 -0.04 7.59 7.71 1d6mA1 TRP 170 HZ2 0.15 -0.09 -0.09 -0.04 7.44 7.37 1d6mA1 TRP 170 HZ3 -0.31 0.25 0.05 -0.04 7.13 7.07 1d6mA1 TRP 170 HH2 -0.22 -0.02 -0.04 -0.04 7.19 6.86 1d6mA1 LEU 171 H 0.49 0.62 0.06 -0.55 8.37 9.00 1d6mA1 LEU 171 HA 0.14 0.02 0.41 -0.75 4.35 4.17 1d6mA1 LEU 171 HB2 0.11 0.09 0.19 -0.04 1.64 1.98 1d6mA1 LEU 171 HB3 0.02 -0.04 0.02 -0.04 1.64 1.60 1d6mA1 LEU 171 HG 0.75 -0.01 0.11 -0.04 1.64 2.45 1d6mA1 LEU 171 HD13 0.24 -0.02 -0.06 -0.04 0.93 1.04 1d6mA1 LEU 171 HD23 0.17 -0.01 0.11 -0.04 0.89 1.11 1d6mA1 TYR 172 H 0.08 0.68 -0.03 -0.55 8.29 8.47 1d6mA1 TYR 172 HA -0.11 0.02 0.43 -0.75 4.56 4.14 1d6mA1 TYR 172 HB2 -0.22 0.00 0.09 -0.04 3.06 2.89 1d6mA1 TYR 172 HB3 -0.05 -0.03 0.15 -0.04 2.98 3.01 1d6mA1 TYR 172 HD2 0.10 -0.03 -0.16 -0.04 7.15 7.01 1d6mA1 TYR 172 HE2 0.19 -0.02 -0.28 -0.04 6.85 6.70 1d6mA1 GLY 173 H 0.09 0.66 0.07 -0.55 8.43 8.71 1d6mA1 GLY 173 HA2 -0.00 0.03 0.40 -0.51 4.01 3.92 1d6mA1 GLY 173 HA3 -0.03 -0.00 0.41 -0.51 4.01 3.88 1d6mA1 ILE 174 H -0.45 0.68 0.13 -0.55 8.25 8.06 1d6mA1 ILE 174 HA -0.42 0.00 0.51 -0.75 4.18 3.51 1d6mA1 ILE 174 HB -0.91 0.03 0.25 -0.04 1.89 1.21 1d6mA1 ILE 174 HG12 -1.55 0.10 0.16 -0.04 1.49 0.15 1d6mA1 ILE 174 HG13 -2.18 -0.02 0.08 -0.04 1.21 -0.95 1d6mA1 ILE 174 HG23 -0.62 -0.00 -0.00 -0.04 0.93 0.27 1d6mA1 ILE 174 HD13 -0.45 -0.02 0.06 -0.04 0.88 0.42 1d6mA1 ASN 175 H -0.46 0.31 0.07 -0.55 8.53 7.90 1d6mA1 ASN 175 HA -0.41 0.02 0.37 -0.75 4.76 3.97 1d6mA1 ASN 175 HB2 -0.32 0.42 0.27 -0.04 2.88 3.21 1d6mA1 ASN 175 HB3 -0.32 -0.07 0.03 -0.04 2.79 2.38 1d6mA1 ASN 175 HD21 -0.20 0.22 0.23 -0.04 7.03 7.23 1d6mA1 ASN 175 HD22 -0.20 0.18 0.25 -0.04 7.74 7.93 1d6mA1 MET 176 H -0.44 0.68 -0.07 -0.55 8.47 8.09 1d6mA1 MET 176 HA -0.51 0.02 0.61 -0.75 4.52 3.88 1d6mA1 MET 176 HB2 -0.71 0.10 0.07 -0.04 2.15 1.57 1d6mA1 MET 176 HB3 -0.40 -0.06 0.05 -0.04 2.03 1.58 1d6mA1 MET 176 HG2 -0.68 0.14 0.12 -0.04 2.63 2.17 1d6mA1 MET 176 HG3 -0.88 -0.07 -0.00 -0.04 2.56 1.57 1d6mA1 MET 176 HE3 -0.58 0.00 -0.09 -0.04 2.10 1.38 1d6mA1 THR 177 H -0.29 0.54 -0.05 -0.55 8.28 7.94 1d6mA1 THR 177 HA -0.02 0.09 0.53 -0.75 4.39 4.24 1d6mA1 THR 177 HB -0.00 0.03 0.17 -0.04 4.32 4.48 1d6mA1 THR 177 HG23 -0.02 -0.19 0.25 -0.04 1.22 1.22 1d6mA1 ARG 178 H -0.52 0.56 -0.05 -0.55 8.46 7.90 1d6mA1 ARG 178 HA -1.14 0.01 0.47 -0.75 4.34 2.93 1d6mA1 ARG 178 HB2 -0.61 0.16 0.15 -0.04 1.90 1.55 1d6mA1 ARG 178 HB3 -0.58 -0.04 -0.01 -0.04 1.80 1.12 1d6mA1 ARG 178 HG2 -2.67 -0.06 0.03 -0.04 1.67 -1.07 1d6mA1 ARG 178 HG3 -1.43 0.01 0.04 -0.04 1.67 0.25 1d6mA1 ARG 178 HD2 -0.57 0.06 -0.04 -0.04 3.22 2.63 1d6mA1 ARG 178 HD3 -0.68 -0.06 -0.04 -0.04 3.22 2.39 1d6mA1 ALA 179 H -0.39 0.58 0.00 -0.55 8.40 8.05 1d6mA1 ALA 179 HA -0.21 -0.08 0.32 -0.75 4.34 3.61 1d6mA1 ALA 179 HB3 -0.45 0.03 0.17 -0.04 1.41 1.12 1d6mA1 TYR 180 H -0.25 0.66 -0.10 -0.55 8.29 8.05 1d6mA1 TYR 180 HA -0.04 0.02 0.43 -0.75 4.56 4.21 1d6mA1 TYR 180 HB2 -0.06 0.11 0.11 -0.04 3.06 3.18 1d6mA1 TYR 180 HB3 -0.03 -0.00 0.06 -0.04 2.98 2.98 1d6mA1 TYR 180 HD2 -0.06 0.03 -0.02 -0.04 7.15 7.05 1d6mA1 TYR 180 HE2 -0.04 -0.06 0.00 -0.04 6.85 6.71 1d6mA1 THR 181 H 0.02 0.48 -0.25 -0.55 8.28 7.98 1d6mA1 THR 181 HA 0.14 0.01 0.70 -0.75 4.39 4.48 1d6mA1 THR 181 HB 0.32 0.03 0.34 -0.04 4.32 4.98 1d6mA1 THR 181 HG23 0.36 0.01 0.12 -0.04 1.22 1.67 1d6mA1 ILE 182 H 0.09 0.59 0.12 -0.55 8.25 8.50 1d6mA1 ILE 182 HA 0.13 -0.01 0.30 -0.75 4.18 3.84 1d6mA1 ILE 182 HB 0.00 0.05 0.12 -0.04 1.89 2.02 1d6mA1 ILE 182 HG12 0.21 0.02 -0.02 -0.04 1.49 1.65 1d6mA1 ILE 182 HG13 0.14 0.12 0.05 -0.04 1.21 1.48 1d6mA1 ILE 182 HG23 0.05 -0.04 -0.07 -0.04 0.93 0.82 1d6mA1 ILE 182 HD13 -0.01 -0.10 -0.29 -0.04 0.88 0.45 1d6mA1 LEU 183 H 0.02 0.46 -0.03 -0.55 8.37 8.28 1d6mA1 LEU 183 HA 0.03 -0.03 0.39 -0.75 4.35 3.99 1d6mA1 LEU 183 HB2 0.05 0.06 0.06 -0.04 1.64 1.77 1d6mA1 LEU 183 HB3 0.04 0.05 -0.05 -0.04 1.64 1.64 1d6mA1 LEU 183 HG -0.01 -0.11 0.07 -0.04 1.64 1.55 1d6mA1 LEU 183 HD13 -0.05 -0.01 -0.18 -0.04 0.93 0.65 1d6mA1 LEU 183 HD23 0.01 0.01 0.02 -0.04 0.89 0.88 1d6mA1 GLY 184 H 0.08 0.40 -0.39 -0.55 8.43 7.98 1d6mA1 GLY 184 HA2 0.04 0.01 0.41 -0.51 4.01 3.96 1d6mA1 GLY 184 HA3 0.06 0.06 0.27 -0.51 4.01 3.88 1d6mA1 GLY 191 HA2 -0.00 -0.08 0.15 -0.51 4.01 3.57 1d6mA1 GLY 191 HA3 0.03 -0.05 0.19 -0.51 4.01 3.66 1d6mA1 VAL 192 H 0.06 0.11 0.10 -0.55 8.24 7.96 1d6mA1 VAL 192 HA 0.18 0.25 1.01 -0.75 4.13 4.81 1d6mA1 VAL 192 HB 0.12 -0.07 0.04 -0.04 2.12 2.17 1d6mA1 VAL 192 HG13 0.28 -0.01 -0.32 -0.04 0.97 0.89 1d6mA1 VAL 192 HG23 0.07 -0.00 -0.10 -0.04 0.95 0.88 1d6mA1 LEU 193 H 0.14 0.27 0.06 -0.55 8.37 8.30 1d6mA1 LEU 193 HA 0.06 0.05 0.56 -0.75 4.35 4.27 1d6mA1 LEU 193 HB2 0.08 0.06 0.00 -0.04 1.64 1.74 1d6mA1 LEU 193 HB3 0.10 -0.01 0.05 -0.04 1.64 1.74 1d6mA1 LEU 193 HG -0.02 -0.06 -0.15 -0.04 1.64 1.37 1d6mA1 LEU 193 HD13 -0.01 -0.00 -0.06 -0.04 0.93 0.82 1d6mA1 LEU 193 HD23 0.01 0.04 -0.06 -0.04 0.89 0.84 1d6mA1 SER 194 H 0.09 0.19 0.11 -0.55 8.46 8.29 1d6mA1 SER 194 HA 0.08 0.20 1.03 -0.75 4.49 5.04 1d6mA1 SER 194 HB2 0.12 0.04 -0.01 -0.04 3.95 4.07 1d6mA1 SER 194 HB3 0.13 -0.06 -0.01 -0.04 3.93 3.95 1d6mA1 VAL 195 H 0.07 0.24 0.16 -0.55 8.24 8.16 1d6mA1 VAL 195 HA 0.09 0.18 0.91 -0.75 4.13 4.56 1d6mA1 VAL 195 HB 0.27 -0.02 -0.08 -0.04 2.12 2.25 1d6mA1 VAL 195 HG13 0.04 0.02 -0.21 -0.04 0.97 0.78 1d6mA1 VAL 195 HG23 0.11 0.03 -0.16 -0.04 0.95 0.88 1d6mA1 GLY 196 H 0.16 0.23 0.17 -0.55 8.43 8.45 1d6mA1 GLY 196 HA2 0.20 0.23 0.83 -0.51 4.01 4.76 1d6mA1 GLY 196 HA3 0.12 -0.05 0.29 -0.51 4.01 3.86 1d6mA1 ARG 197 H 0.14 0.20 0.14 -0.55 8.46 8.39 1d6mA1 ARG 197 HA -0.62 0.17 0.40 -0.75 4.34 3.53 1d6mA1 ARG 197 HB2 -0.05 0.05 0.14 -0.04 1.90 2.00 1d6mA1 ARG 197 HB3 -0.01 -0.06 0.02 -0.04 1.80 1.71 1d6mA1 ARG 197 HG2 0.11 0.00 -0.12 -0.04 1.67 1.61 1d6mA1 ARG 197 HG3 -0.23 0.04 0.03 -0.04 1.67 1.47 1d6mA1 ARG 197 HD2 -0.38 0.02 -0.06 -0.04 3.22 2.76 1d6mA1 ARG 197 HD3 -0.18 0.07 -0.11 -0.04 3.22 2.96 1d6mA1 VAL 198 H 0.03 -0.02 -0.09 -0.55 8.24 7.61 1d6mA1 VAL 198 HA 0.01 0.28 0.90 -0.75 4.13 4.57 1d6mA1 VAL 198 HB 0.02 -0.09 0.02 -0.04 2.12 2.03 1d6mA1 VAL 198 HG13 0.01 0.00 -0.14 -0.04 0.97 0.80 1d6mA1 VAL 198 HG23 0.04 0.01 -0.05 -0.04 0.95 0.91 1d6mA1 GLN 199 H 0.04 -0.03 -0.10 -0.55 8.47 7.84 1d6mA1 GLN 199 HA 0.02 0.08 0.35 -0.75 4.36 4.06 1d6mA1 GLN 199 HB2 0.08 0.11 -0.09 -0.04 2.15 2.21 1d6mA1 GLN 199 HB3 0.06 0.02 0.04 -0.04 2.02 2.10 1d6mA1 GLN 199 HG2 0.06 -0.01 -0.00 -0.04 2.40 2.41 1d6mA1 GLN 199 HG3 0.07 -0.19 0.04 -0.04 2.39 2.26 1d6mA1 GLN 199 HE21 0.10 0.12 -0.11 -0.04 6.97 7.03 1d6mA1 GLN 199 HE22 0.08 -0.07 -0.03 -0.04 7.69 7.63 1d6mA1 THR 200 H 0.05 0.37 -0.22 -0.55 8.28 7.94 1d6mA1 THR 200 HA 0.02 0.06 0.52 -0.75 4.39 4.23 1d6mA1 THR 200 HB 0.11 0.20 0.18 -0.04 4.32 4.76 1d6mA1 THR 200 HG23 0.06 0.04 -0.08 -0.04 1.22 1.19 1d6mA1 PRO 201 HA 0.01 0.15 0.13 -0.51 4.44 4.22 1d6mA1 PRO 201 HB2 -0.02 -0.04 -0.16 -0.04 2.28 2.02 1d6mA1 PRO 201 HB3 -0.01 0.09 -0.34 -0.04 2.02 1.72 1d6mA1 PRO 201 HG2 -0.01 0.08 0.01 -0.04 2.03 2.07 1d6mA1 PRO 201 HG3 -0.02 0.08 0.08 -0.04 2.03 2.12 1d6mA1 PRO 201 HD2 0.01 -0.24 -0.38 -0.04 3.68 3.04 1d6mA1 PRO 201 HD3 0.02 0.30 0.09 -0.04 3.65 4.02 1d6mA1 VAL 202 H -0.02 0.43 -0.31 -0.55 8.24 7.79 1d6mA1 VAL 202 HA -0.11 0.01 0.40 -0.75 4.13 3.67 1d6mA1 VAL 202 HB -0.02 0.02 0.07 -0.04 2.12 2.14 1d6mA1 VAL 202 HG13 -0.07 -0.02 -0.20 -0.04 0.97 0.63 1d6mA1 VAL 202 HG23 -0.07 -0.00 -0.06 -0.04 0.95 0.78 1d6mA1 LEU 203 H -0.02 0.64 -0.14 -0.55 8.37 8.30 1d6mA1 LEU 203 HA -0.06 -0.09 0.30 -0.75 4.35 3.74 1d6mA1 LEU 203 HB2 -0.00 -0.09 0.10 -0.04 1.64 1.61 1d6mA1 LEU 203 HB3 -0.04 0.19 0.21 -0.04 1.64 1.96 1d6mA1 LEU 203 HG -0.13 0.00 -0.27 -0.04 1.64 1.20 1d6mA1 LEU 203 HD13 -0.02 -0.06 -0.00 -0.04 0.93 0.81 1d6mA1 LEU 203 HD23 -0.22 0.04 0.01 -0.04 0.89 0.68 1d6mA1 GLY 204 H -0.04 0.65 -0.08 -0.55 8.43 8.41 1d6mA1 GLY 204 HA2 -0.31 -0.06 0.43 -0.51 4.01 3.55 1d6mA1 GLY 204 HA3 -0.02 0.31 0.38 -0.51 4.01 4.18 1d6mA1 LEU 205 H -0.09 0.57 -0.06 -0.55 8.37 8.24 1d6mA1 LEU 205 HA -0.01 -0.02 0.34 -0.75 4.35 3.91 1d6mA1 LEU 205 HB2 -0.24 0.22 0.17 -0.04 1.64 1.75 1d6mA1 LEU 205 HB3 -0.31 -0.09 0.00 -0.04 1.64 1.20 1d6mA1 LEU 205 HG -0.15 0.17 0.07 -0.04 1.64 1.69 1d6mA1 LEU 205 HD13 -0.34 -0.03 -0.07 -0.04 0.93 0.45 1d6mA1 LEU 205 HD23 -0.36 -0.01 0.00 -0.04 0.89 0.48 1d6mA1 VAL 206 H -0.10 0.34 -0.17 -0.55 8.24 7.77 1d6mA1 VAL 206 HA 0.32 -0.03 0.51 -0.75 4.13 4.18 1d6mA1 VAL 206 HB -0.04 0.17 0.06 -0.04 2.12 2.26 1d6mA1 VAL 206 HG13 0.10 -0.03 -0.09 -0.04 0.97 0.91 1d6mA1 VAL 206 HG23 -0.08 0.00 -0.03 -0.04 0.95 0.79 1d6mA1 VAL 207 H -0.25 0.61 -0.01 -0.55 8.24 8.04 1d6mA1 VAL 207 HA -0.16 -0.01 0.63 -0.75 4.13 3.84 1d6mA1 VAL 207 HB -1.36 0.07 0.16 -0.04 2.12 0.95 1d6mA1 VAL 207 HG13 -0.31 -0.01 0.01 -0.04 0.97 0.61 1d6mA1 VAL 207 HG23 -0.28 0.07 -0.08 -0.04 0.95 0.62 1d6mA1 ARG 208 H -0.29 0.60 0.07 -0.55 8.46 8.28 1d6mA1 ARG 208 HA -0.03 -0.00 0.30 -0.75 4.34 3.85 1d6mA1 ARG 208 HB2 -0.00 0.12 0.07 -0.04 1.90 2.05 1d6mA1 ARG 208 HB3 0.05 -0.01 -0.03 -0.04 1.80 1.76 1d6mA1 ARG 208 HG2 0.12 -0.03 0.02 -0.04 1.67 1.74 1d6mA1 ARG 208 HG3 0.01 0.00 0.02 -0.04 1.67 1.66 1d6mA1 ARG 208 HD2 0.08 0.03 -0.03 -0.04 3.22 3.25 1d6mA1 ARG 208 HD3 0.11 -0.03 -0.02 -0.04 3.22 3.24 1d6mA1 ARG 209 H 0.04 0.46 -0.20 -0.55 8.46 8.21 1d6mA1 ARG 209 HA -0.04 0.04 0.57 -0.75 4.34 4.15 1d6mA1 ARG 209 HB2 -0.09 0.05 0.14 -0.04 1.90 1.95 1d6mA1 ARG 209 HB3 0.07 0.06 0.18 -0.04 1.80 2.07 1d6mA1 ARG 209 HG2 -0.54 -0.14 0.06 -0.04 1.67 1.01 1d6mA1 ARG 209 HG3 -0.18 -0.02 -0.25 -0.04 1.67 1.18 1d6mA1 ARG 209 HD2 -0.27 -0.02 -0.14 -0.04 3.22 2.75 1d6mA1 ARG 209 HD3 -0.20 -0.02 0.05 -0.04 3.22 3.01 1d6mA1 ASP 210 H 0.05 0.48 -0.07 -0.55 8.40 8.31 1d6mA1 ASP 210 HA 0.14 -0.00 0.44 -0.75 4.63 4.46 1d6mA1 ASP 210 HB2 0.05 0.14 0.29 -0.04 2.71 3.14 1d6mA1 ASP 210 HB3 0.12 -0.04 0.09 -0.04 2.70 2.84 1d6mA1 GLU 211 H 0.02 0.61 -0.05 -0.55 8.60 8.63 1d6mA1 GLU 211 HA 0.07 0.01 0.46 -0.75 4.29 4.07 1d6mA1 GLU 211 HB2 0.06 0.10 0.07 -0.04 2.09 2.29 1d6mA1 GLU 211 HB3 0.09 0.01 -0.04 -0.04 1.99 2.02 1d6mA1 GLU 211 HG2 0.14 -0.01 -0.00 -0.04 2.34 2.43 1d6mA1 GLU 211 HG3 0.11 -0.03 0.02 -0.04 2.34 2.40 1d6mA1 GLU 212 H 0.02 0.55 -0.22 -0.55 8.60 8.41 1d6mA1 GLU 212 HA 0.05 -0.03 0.34 -0.75 4.29 3.90 1d6mA1 GLU 212 HB2 -0.02 0.13 0.33 -0.04 2.09 2.49 1d6mA1 GLU 212 HB3 -0.02 -0.04 0.04 -0.04 1.99 1.93 1d6mA1 GLU 212 HG2 0.04 -0.06 0.04 -0.04 2.34 2.31 1d6mA1 GLU 212 HG3 0.04 0.02 0.06 -0.04 2.34 2.41 1d6mA1 ILE 213 H -0.06 0.60 -0.08 -0.55 8.25 8.16 1d6mA1 ILE 213 HA -0.08 -0.02 0.36 -0.75 4.18 3.68 1d6mA1 ILE 213 HB -0.14 0.08 0.12 -0.04 1.89 1.91 1d6mA1 ILE 213 HG12 -0.34 0.20 -0.12 -0.04 1.49 1.19 1d6mA1 ILE 213 HG13 -0.21 -0.05 -0.00 -0.04 1.21 0.91 1d6mA1 ILE 213 HG23 -0.26 -0.03 -0.07 -0.04 0.93 0.54 1d6mA1 ILE 213 HD13 -0.60 -0.03 -0.37 -0.04 0.88 -0.17 1d6mA1 GLU 214 H 0.03 0.42 -0.24 -0.55 8.60 8.27 1d6mA1 GLU 214 HA 0.05 0.01 0.49 -0.75 4.29 4.08 1d6mA1 GLU 214 HB2 0.05 0.15 0.20 -0.04 2.09 2.45 1d6mA1 GLU 214 HB3 0.05 -0.01 0.03 -0.04 1.99 2.02 1d6mA1 GLU 214 HG2 0.04 -0.03 0.06 -0.04 2.34 2.36 1d6mA1 GLU 214 HG3 0.05 -0.03 0.05 -0.04 2.34 2.37 1d6mA1 ASN 215 H 0.06 0.53 -0.10 -0.55 8.53 8.48 1d6mA1 ASN 215 HA 0.03 0.08 0.60 -0.75 4.76 4.72 1d6mA1 ASN 215 HB2 0.05 0.05 0.08 -0.04 2.88 3.02 1d6mA1 ASN 215 HB3 0.02 -0.10 0.16 -0.04 2.79 2.83 1d6mA1 ASN 215 HD21 0.06 -0.11 -0.04 -0.04 7.03 6.91 1d6mA1 ASN 215 HD22 0.05 -0.04 -0.08 -0.04 7.74 7.63 1d6mA1 PHE 216 H 0.17 0.35 -0.50 -0.55 8.34 7.81 1d6mA1 PHE 216 HA -0.02 -0.02 0.50 -0.75 4.62 4.32 1d6mA1 PHE 216 HB2 -0.04 0.11 0.05 -0.04 3.15 3.23 1d6mA1 PHE 216 HB3 -0.04 0.09 0.13 -0.04 3.06 3.20 1d6mA1 PHE 216 HD2 -0.03 -0.00 -0.21 -0.04 7.28 7.00 1d6mA1 PHE 216 HE2 -0.04 -0.04 -0.28 -0.04 7.38 6.98 1d6mA1 PHE 216 HZ -0.05 -0.09 -0.23 -0.04 7.32 6.90 1d6mA1 VAL 217 H -0.55 0.15 0.15 -0.55 8.24 7.44 1d6mA1 VAL 217 HA -0.11 0.16 0.69 -0.75 4.13 4.11 1d6mA1 VAL 217 HB -0.22 -0.06 0.14 -0.04 2.12 1.93 1d6mA1 VAL 217 HG13 -0.07 0.01 -0.10 -0.04 0.97 0.77 1d6mA1 VAL 217 HG23 -0.11 0.03 0.00 -0.04 0.95 0.83 1d6mA1 ALA 218 H 0.01 0.20 0.11 -0.55 8.40 8.18 1d6mA1 ALA 218 HA 0.06 -0.01 0.33 -0.75 4.34 3.97 1d6mA1 ALA 218 HB3 0.17 0.03 0.05 -0.04 1.41 1.63 1d6mA1 LYS 219 H -0.01 0.09 0.25 -0.55 8.42 8.18 1d6mA1 LYS 219 HA 0.00 0.12 0.70 -0.75 4.32 4.39 1d6mA1 LYS 219 HB2 -0.02 -0.07 0.12 -0.04 1.87 1.86 1d6mA1 LYS 219 HB3 0.03 0.10 -0.01 -0.04 1.79 1.87 1d6mA1 LYS 219 HG2 -0.03 0.00 0.03 -0.04 1.46 1.42 1d6mA1 LYS 219 HG3 -0.11 0.14 0.01 -0.04 1.46 1.46 1d6mA1 LYS 219 HD2 -0.01 -0.00 0.01 -0.04 1.69 1.64 1d6mA1 LYS 219 HD3 -0.03 -0.00 0.02 -0.04 1.68 1.62 1d6mA1 LYS 219 HE2 -0.08 -0.01 0.03 -0.04 2.99 2.89 1d6mA1 LYS 219 HE3 -0.13 0.09 0.05 -0.04 2.99 2.96 1d6mA1 ASP 220 H 0.03 0.14 0.21 -0.55 8.40 8.24 1d6mA1 ASP 220 HA -0.04 0.20 1.10 -0.75 4.63 5.13 1d6mA1 ASP 220 HB2 0.01 -0.04 0.17 -0.04 2.71 2.81 1d6mA1 ASP 220 HB3 -0.38 0.05 0.06 -0.04 2.70 2.38 1d6mA1 PHE 221 H -0.32 0.78 0.35 -0.55 8.34 8.60 1d6mA1 PHE 221 HA -0.20 0.34 0.69 -0.75 4.62 4.69 1d6mA1 PHE 221 HB2 -0.05 -0.07 -0.02 -0.04 3.15 2.97 1d6mA1 PHE 221 HB3 -0.07 -0.03 -0.27 -0.04 3.06 2.64 1d6mA1 PHE 221 HD2 -0.06 0.01 -0.15 -0.04 7.28 7.04 1d6mA1 PHE 221 HE2 -0.03 0.04 -0.35 -0.04 7.38 7.00 1d6mA1 PHE 221 HZ -0.02 0.02 -0.13 -0.04 7.32 7.14 1d6mA1 PHE 222 H 0.17 0.65 0.31 -0.55 8.34 8.92 1d6mA1 PHE 222 HA -0.12 0.32 0.90 -0.75 4.62 4.97 1d6mA1 PHE 222 HB2 0.07 -0.06 -0.02 -0.04 3.15 3.11 1d6mA1 PHE 222 HB3 0.03 -0.03 0.06 -0.04 3.06 3.08 1d6mA1 PHE 222 HD2 0.02 0.06 -0.17 -0.04 7.28 7.15 1d6mA1 PHE 222 HE2 0.02 0.06 -0.01 -0.04 7.38 7.41 1d6mA1 PHE 222 HZ 0.02 -0.01 -0.02 -0.04 7.32 7.27 1d6mA1 GLU 223 H 0.13 0.54 0.35 -0.55 8.60 9.08 1d6mA1 GLU 223 HA 0.18 0.19 0.91 -0.75 4.29 4.82 1d6mA1 GLU 223 HB2 0.02 0.02 -0.01 -0.04 2.09 2.08 1d6mA1 GLU 223 HB3 0.09 -0.02 -0.07 -0.04 1.99 1.96 1d6mA1 GLU 223 HG2 0.08 0.03 0.07 -0.04 2.34 2.48 1d6mA1 GLU 223 HG3 0.12 0.09 -0.02 -0.04 2.34 2.48 1d6mA1 VAL 224 H 0.28 0.24 0.20 -0.55 8.24 8.42 1d6mA1 VAL 224 HA 0.16 0.34 1.13 -0.75 4.13 5.01 1d6mA1 VAL 224 HB 0.41 -0.06 0.21 -0.04 2.12 2.64 1d6mA1 VAL 224 HG13 0.11 -0.00 -0.20 -0.04 0.97 0.84 1d6mA1 VAL 224 HG23 0.12 0.01 -0.07 -0.04 0.95 0.96 1d6mA1 LYS 225 H 0.15 0.55 0.25 -0.55 8.42 8.82 1d6mA1 LYS 225 HA 0.20 0.33 1.23 -0.75 4.32 5.33 1d6mA1 LYS 225 HB2 0.05 0.05 0.01 -0.04 1.87 1.93 1d6mA1 LYS 225 HB3 0.09 -0.04 -0.06 -0.04 1.79 1.74 1d6mA1 LYS 225 HG2 0.10 -0.00 -0.04 -0.04 1.46 1.48 1d6mA1 LYS 225 HG3 0.17 -0.05 0.05 -0.04 1.46 1.59 1d6mA1 LYS 225 HD2 -0.23 -0.00 -0.12 -0.04 1.69 1.29 1d6mA1 LYS 225 HD3 -0.11 0.01 -0.11 -0.04 1.68 1.43 1d6mA1 LYS 225 HE2 0.05 -0.00 -0.06 -0.04 2.99 2.93 1d6mA1 LYS 225 HE3 -0.04 0.00 -0.06 -0.04 2.99 2.85 1d6mA1 ALA 226 H 0.22 0.71 0.35 -0.55 8.40 9.14 1d6mA1 ALA 226 HA 0.06 0.08 0.71 -0.75 4.34 4.44 1d6mA1 ALA 226 HB3 -0.23 -0.01 -0.04 -0.04 1.41 1.08 1d6mA1 HIS 227 H 0.17 0.65 0.27 -0.55 8.41 8.95 1d6mA1 HIS 227 HA -0.12 0.14 0.87 -0.75 4.63 4.77 1d6mA1 HIS 227 HB2 -0.07 0.05 0.26 -0.04 3.26 3.46 1d6mA1 HIS 227 HB3 -0.07 0.03 0.04 -0.04 3.20 3.16 1d6mA1 HIS 227 HD2 -0.02 0.07 -0.05 -0.04 6.97 6.92 1d6mA1 HIS 227 HE1 0.00 -0.02 -0.07 -0.04 7.75 7.61 1d6mA1 ILE 228 H -0.37 0.72 0.42 -0.55 8.25 8.47 1d6mA1 ILE 228 HA -0.20 0.18 0.79 -0.75 4.18 4.19 1d6mA1 ILE 228 HB -1.39 -0.01 -0.07 -0.04 1.89 0.38 1d6mA1 ILE 228 HG12 -0.58 0.11 -0.17 -0.04 1.49 0.81 1d6mA1 ILE 228 HG13 -0.59 -0.03 -0.26 -0.04 1.21 0.29 1d6mA1 ILE 228 HG23 -0.17 -0.02 -0.24 -0.04 0.93 0.46 1d6mA1 ILE 228 HD13 -0.26 -0.03 -0.41 -0.04 0.88 0.14 1d6mA1 VAL 229 H -0.08 0.54 0.34 -0.55 8.24 8.49 1d6mA1 VAL 229 HA 0.04 0.29 0.71 -0.75 4.13 4.41 1d6mA1 VAL 229 HB 0.00 0.02 0.05 -0.04 2.12 2.15 1d6mA1 VAL 229 HG13 -0.02 0.00 0.03 -0.04 0.97 0.94 1d6mA1 VAL 229 HG23 0.02 0.04 -0.15 -0.04 0.95 0.82 1d6mA1 THR 230 H 0.10 0.63 0.17 -0.55 8.28 8.63 1d6mA1 THR 230 HA 0.07 0.14 0.89 -0.75 4.39 4.73 1d6mA1 THR 230 HB 0.06 0.04 0.06 -0.04 4.32 4.44 1d6mA1 THR 230 HG23 0.19 0.04 -0.14 -0.04 1.22 1.26 1d6mA1 PRO 231 HA 0.01 0.12 0.16 -0.51 4.44 4.22 1d6mA1 PRO 231 HB2 0.01 0.01 0.09 -0.04 2.28 2.35 1d6mA1 PRO 231 HB3 0.01 0.05 0.14 -0.04 2.02 2.18 1d6mA1 PRO 231 HG2 0.01 0.02 0.14 -0.04 2.03 2.16 1d6mA1 PRO 231 HG3 0.01 0.15 0.17 -0.04 2.03 2.32 1d6mA1 PRO 231 HD2 0.03 0.06 0.23 -0.04 3.68 3.96 1d6mA1 PRO 231 HD3 0.03 0.19 0.37 -0.04 3.65 4.20 1d6mA1 ALA 232 H 0.02 0.06 -0.21 -0.55 8.40 7.73 1d6mA1 ALA 232 HA 0.01 0.12 0.52 -0.75 4.34 4.23 1d6mA1 ALA 232 HB3 0.01 -0.01 0.05 -0.04 1.41 1.42 1d6mA1 ASP 233 H 0.02 0.61 -0.20 -0.55 8.40 8.29 1d6mA1 ASP 233 HA 0.02 0.07 0.24 -0.75 4.63 4.21 1d6mA1 ASP 233 HB2 0.01 -0.01 -0.31 -0.04 2.71 2.37 1d6mA1 ASP 233 HB3 0.01 0.06 0.26 -0.04 2.70 3.00 1d6mA1 GLU 234 H 0.04 -0.07 -0.22 -0.55 8.60 7.82 1d6mA1 GLU 234 HA 0.05 0.13 0.47 -0.75 4.29 4.19 1d6mA1 GLU 234 HB2 0.07 -0.12 -0.02 -0.04 2.09 1.98 1d6mA1 GLU 234 HB3 0.07 0.10 -0.03 -0.04 1.99 2.09 1d6mA1 GLU 234 HG2 0.02 0.06 -0.05 -0.04 2.34 2.34 1d6mA1 GLU 234 HG3 0.03 0.03 -0.17 -0.04 2.34 2.18 1d6mA1 ARG 235 H 0.09 0.20 0.21 -0.55 8.46 8.40 1d6mA1 ARG 235 HA 0.12 0.25 0.95 -0.75 4.34 4.90 1d6mA1 ARG 235 HB2 0.06 -0.04 0.09 -0.04 1.90 1.96 1d6mA1 ARG 235 HB3 0.06 -0.01 0.02 -0.04 1.80 1.82 1d6mA1 ARG 235 HG2 0.02 0.23 0.13 -0.04 1.67 2.02 1d6mA1 ARG 235 HG3 0.04 -0.00 -0.15 -0.04 1.67 1.52 1d6mA1 ARG 235 HD2 0.03 -0.03 -0.02 -0.04 3.22 3.17 1d6mA1 ARG 235 HD3 0.05 -0.03 -0.03 -0.04 3.22 3.16 1d6mA1 PHE 236 H -0.03 0.61 0.29 -0.55 8.34 8.66 1d6mA1 PHE 236 HA -0.02 0.09 0.38 -0.75 4.62 4.32 1d6mA1 PHE 236 HB2 0.01 0.03 0.15 -0.04 3.15 3.30 1d6mA1 PHE 236 HB3 0.01 0.15 -0.06 -0.04 3.06 3.13 1d6mA1 PHE 236 HD2 0.02 0.08 -0.30 -0.04 7.28 7.04 1d6mA1 PHE 236 HE2 0.04 -0.02 -0.25 -0.04 7.38 7.11 1d6mA1 PHE 236 HZ 0.05 -0.05 -0.24 -0.04 7.32 7.04 1d6mA1 THR 237 H 0.12 0.20 0.20 -0.55 8.28 8.26 1d6mA1 THR 237 HA -0.24 0.31 1.26 -0.75 4.39 4.97 1d6mA1 THR 237 HB -0.12 0.02 0.00 -0.04 4.32 4.18 1d6mA1 THR 237 HG23 -0.57 -0.01 -0.16 -0.04 1.22 0.43 1d6mA1 ALA 238 H -0.02 0.55 0.35 -0.55 8.40 8.74 1d6mA1 ALA 238 HA 0.16 0.26 0.91 -0.75 4.34 4.92 1d6mA1 ALA 238 HB3 0.18 -0.03 -0.18 -0.04 1.41 1.34 1d6mA1 ILE 239 H 0.17 0.82 0.42 -0.55 8.25 9.11 1d6mA1 ILE 239 HA 0.20 0.20 1.08 -0.75 4.18 4.90 1d6mA1 ILE 239 HB 0.07 -0.00 0.17 -0.04 1.89 2.09 1d6mA1 ILE 239 HG12 0.09 -0.00 -0.04 -0.04 1.49 1.49 1d6mA1 ILE 239 HG13 0.06 0.01 -0.02 -0.04 1.21 1.23 1d6mA1 ILE 239 HG23 0.04 0.04 -0.05 -0.04 0.93 0.92 1d6mA1 ILE 239 HD13 0.08 0.00 -0.15 -0.04 0.88 0.78 1d6mA1 TRP 240 H 0.20 0.61 0.40 -0.55 7.97 8.63 1d6mA1 TRP 240 HA -1.37 0.05 0.48 -0.75 4.62 3.04 1d6mA1 TRP 240 HB2 -0.72 -0.00 0.11 -0.04 3.23 2.57 1d6mA1 TRP 240 HB3 -0.22 -0.11 0.25 -0.04 3.23 3.10 1d6mA1 TRP 240 HD1 -0.78 0.12 -0.14 -0.04 7.22 6.38 1d6mA1 TRP 240 HE1 -0.10 -0.04 -0.14 -0.04 10.20 9.87 1d6mA1 TRP 240 HE3 -0.04 -0.08 -0.00 -0.04 7.59 7.42 1d6mA1 TRP 240 HZ2 -0.01 -0.07 -0.02 -0.04 7.44 7.29 1d6mA1 TRP 240 HZ3 -0.00 -0.04 -0.15 -0.04 7.13 6.90 1d6mA1 TRP 240 HH2 -0.01 -0.03 -0.08 -0.04 7.19 7.03 1d6mA1 GLN 241 H -0.36 0.55 0.28 -0.55 8.47 8.40 1d6mA1 GLN 241 HA -0.47 0.19 0.96 -0.75 4.36 4.29 1d6mA1 GLN 241 HB2 -0.13 0.02 0.16 -0.04 2.15 2.16 1d6mA1 GLN 241 HB3 -0.17 -0.00 0.06 -0.04 2.02 1.87 1d6mA1 GLN 241 HG2 -0.12 0.10 -0.29 -0.04 2.40 2.04 1d6mA1 GLN 241 HG3 -0.05 -0.05 -0.11 -0.04 2.39 2.14 1d6mA1 GLN 241 HE21 -0.02 -0.03 -0.07 -0.04 6.97 6.82 1d6mA1 GLN 241 HE22 -0.01 0.01 -0.06 -0.04 7.69 7.58 1d6mA1 PRO 242 HA -0.50 -0.08 0.30 -0.51 4.44 3.65 1d6mA1 PRO 242 HB2 -0.38 0.10 -0.01 -0.04 2.28 1.95 1d6mA1 PRO 242 HB3 -0.41 -0.08 0.05 -0.04 2.02 1.54 1d6mA1 PRO 242 HG2 -0.80 0.07 0.04 -0.04 2.03 1.31 1d6mA1 PRO 242 HG3 -2.98 -0.03 0.00 -0.04 2.03 -1.02 1d6mA1 PRO 242 HD2 -0.63 0.16 0.17 -0.04 3.68 3.34 1d6mA1 PRO 242 HD3 -1.43 0.24 -0.23 -0.04 3.65 2.18 1d6mA1 SER 243 H 0.08 0.03 0.14 -0.55 8.46 8.16 1d6mA1 SER 243 HA 0.02 0.16 0.47 -0.75 4.49 4.39 1d6mA1 SER 243 HB2 0.09 -0.31 -0.08 -0.04 3.95 3.61 1d6mA1 SER 243 HB3 0.08 0.07 0.17 -0.04 3.93 4.21 1d6mA1 GLU 244 H 0.03 0.15 0.21 -0.55 8.60 8.44 1d6mA1 GLU 244 HA -0.00 0.19 0.31 -0.75 4.29 4.03 1d6mA1 GLU 244 HB2 0.01 0.02 0.15 -0.04 2.09 2.23 1d6mA1 GLU 244 HB3 0.02 -0.01 0.07 -0.04 1.99 2.03 1d6mA1 GLU 244 HG2 -0.00 0.02 0.11 -0.04 2.34 2.43 1d6mA1 GLU 244 HG3 -0.00 0.04 0.04 -0.04 2.34 2.37 1d6mA1 ALA 245 H 0.06 0.01 -0.14 -0.55 8.40 7.78 1d6mA1 ALA 245 HA 0.05 0.16 0.56 -0.75 4.34 4.36 1d6mA1 ALA 245 HB3 0.08 0.01 0.07 -0.04 1.41 1.54 1d6mA1 CYS 246 H 0.08 0.25 -0.45 -0.55 8.50 7.84 1d6mA1 CYS 246 HA 0.32 0.11 0.42 -0.75 4.58 4.68 1d6mA1 CYS 246 HB2 0.03 0.21 -0.03 -0.04 2.97 3.14 1d6mA1 CYS 246 HB3 0.13 -0.00 0.07 -0.04 2.97 3.13 1d6mA1 GLU 247 H 0.04 0.22 -0.61 -0.55 8.60 7.70 1d6mA1 GLU 247 HA 0.01 0.05 0.19 -0.75 4.29 3.78 1d6mA1 GLU 247 HB2 -0.00 0.09 0.11 -0.04 2.09 2.24 1d6mA1 GLU 247 HB3 -0.02 -0.01 0.03 -0.04 1.99 1.95 1d6mA1 GLU 247 HG2 -0.02 -0.01 -0.04 -0.04 2.34 2.23 1d6mA1 GLU 247 HG3 -0.01 0.08 0.03 -0.04 2.34 2.40 1d6mA1 PRO 248 HA -0.13 0.07 0.27 -0.51 4.44 4.15 1d6mA1 PRO 248 HB2 -0.63 0.00 -0.04 -0.04 2.28 1.57 1d6mA1 PRO 248 HB3 -0.27 0.00 0.08 -0.04 2.02 1.79 1d6mA1 PRO 248 HG2 -0.11 0.06 0.07 -0.04 2.03 2.00 1d6mA1 PRO 248 HG3 -0.09 0.01 0.07 -0.04 2.03 1.97 1d6mA1 PRO 248 HD2 0.01 0.30 -0.11 -0.04 3.68 3.83 1d6mA1 PRO 248 HD3 -0.03 0.08 0.10 -0.04 3.65 3.76 1d6mA1 TYR 249 H 0.05 0.29 -0.44 -0.55 8.29 7.64 1d6mA1 TYR 249 HA 0.06 0.11 0.83 -0.75 4.56 4.81 1d6mA1 TYR 249 HB2 0.12 0.17 0.04 -0.04 3.06 3.35 1d6mA1 TYR 249 HB3 0.18 -0.22 0.21 -0.04 2.98 3.11 1d6mA1 TYR 249 HD2 0.10 0.02 -0.00 -0.04 7.15 7.22 1d6mA1 TYR 249 HE2 0.04 0.01 -0.04 -0.04 6.85 6.82 1d6mA1 GLN 250 H 0.06 0.80 0.06 -0.55 8.47 8.84 1d6mA1 GLN 250 HA 0.09 0.12 0.97 -0.75 4.36 4.78 1d6mA1 GLN 250 HB2 0.01 0.08 0.04 -0.04 2.15 2.23 1d6mA1 GLN 250 HB3 -0.01 -0.12 -0.22 -0.04 2.02 1.63 1d6mA1 GLN 250 HG2 0.01 -0.06 -0.31 -0.04 2.40 2.01 1d6mA1 GLN 250 HG3 0.07 0.20 -0.20 -0.04 2.39 2.42 1d6mA1 GLN 250 HE21 -0.14 0.00 -0.07 -0.04 6.97 6.73 1d6mA1 GLN 250 HE22 -0.13 0.03 -0.06 -0.04 7.69 7.49 1d6mA1 ASP 251 H 0.01 0.55 0.23 -0.55 8.40 8.64 1d6mA1 ASP 251 HA -0.02 0.19 0.48 -0.75 4.63 4.53 1d6mA1 ASP 251 HB2 -0.04 0.00 0.17 -0.04 2.71 2.80 1d6mA1 ASP 251 HB3 -0.02 0.14 0.11 -0.04 2.70 2.89 1d6mA1 GLU 252 H -0.04 0.17 0.16 -0.55 8.60 8.35 1d6mA1 GLU 252 HA -0.04 0.15 0.29 -0.75 4.29 3.95 1d6mA1 GLU 252 HB2 -0.04 -0.02 0.17 -0.04 2.09 2.16 1d6mA1 GLU 252 HB3 -0.04 0.05 0.00 -0.04 1.99 1.96 1d6mA1 GLU 252 HG2 -0.03 0.02 0.06 -0.04 2.34 2.35 1d6mA1 GLU 252 HG3 -0.03 0.01 0.05 -0.04 2.34 2.33 1d6mA1 GLU 253 H -0.07 -0.02 -0.29 -0.55 8.60 7.68 1d6mA1 GLU 253 HA -0.06 0.21 0.74 -0.75 4.29 4.43 1d6mA1 GLU 253 HB2 -0.12 0.00 -0.07 -0.04 2.09 1.87 1d6mA1 GLU 253 HB3 -0.08 0.06 0.07 -0.04 1.99 2.00 1d6mA1 GLU 253 HG2 -0.10 -0.15 -0.01 -0.04 2.34 2.04 1d6mA1 GLU 253 HG3 -0.12 0.04 -0.04 -0.04 2.34 2.18 1d6mA1 GLY 254 H -0.06 0.52 -0.34 -0.55 8.43 8.01 1d6mA1 GLY 254 HA2 -0.05 0.10 0.15 -0.51 4.01 3.71 1d6mA1 GLY 254 HA3 -0.06 0.12 0.35 -0.51 4.01 3.90 1d6mA1 ARG 255 H -0.09 -0.07 -0.11 -0.55 8.46 7.64 1d6mA1 ARG 255 HA 0.02 0.18 0.62 -0.75 4.34 4.41 1d6mA1 ARG 255 HB2 -0.20 -0.09 0.05 -0.04 1.90 1.62 1d6mA1 ARG 255 HB3 -0.17 0.05 -0.02 -0.04 1.80 1.62 1d6mA1 ARG 255 HG2 -0.36 0.09 -0.11 -0.04 1.67 1.25 1d6mA1 ARG 255 HG3 -0.29 -0.05 -0.18 -0.04 1.67 1.10 1d6mA1 ARG 255 HD2 -2.48 0.01 -0.10 -0.04 3.22 0.60 1d6mA1 ARG 255 HD3 -0.98 0.05 -0.09 -0.04 3.22 2.16 1d6mA1 LEU 256 H 0.16 0.24 0.25 -0.55 8.37 8.47 1d6mA1 LEU 256 HA 0.15 0.16 0.61 -0.75 4.35 4.51 1d6mA1 LEU 256 HB2 0.08 0.05 0.13 -0.04 1.64 1.85 1d6mA1 LEU 256 HB3 0.22 0.15 0.26 -0.04 1.64 2.23 1d6mA1 LEU 256 HG 0.27 -0.08 -0.31 -0.04 1.64 1.49 1d6mA1 LEU 256 HD13 0.20 0.05 -0.03 -0.04 0.93 1.11 1d6mA1 LEU 256 HD23 0.36 -0.03 -0.10 -0.04 0.89 1.07 1d6mA1 LEU 257 H 0.21 0.86 0.54 -0.55 8.37 9.43 1d6mA1 LEU 257 HA 0.23 0.25 0.72 -0.75 4.35 4.79 1d6mA1 LEU 257 HB2 0.18 0.04 0.12 -0.04 1.64 1.93 1d6mA1 LEU 257 HB3 0.15 -0.04 0.10 -0.04 1.64 1.80 1d6mA1 LEU 257 HG 0.10 0.10 0.08 -0.04 1.64 1.87 1d6mA1 LEU 257 HD13 0.04 -0.02 -0.14 -0.04 0.93 0.77 1d6mA1 LEU 257 HD23 0.07 -0.02 -0.05 -0.04 0.89 0.85 1d6mA1 HIS 258 H 0.36 0.20 0.14 -0.55 8.41 8.56 1d6mA1 HIS 258 HA 0.15 0.12 0.72 -0.75 4.63 4.87 1d6mA1 HIS 258 HB2 0.26 0.08 0.11 -0.04 3.26 3.67 1d6mA1 HIS 258 HB3 0.10 -0.04 0.20 -0.04 3.20 3.42 1d6mA1 HIS 258 HD2 0.06 0.04 -0.01 -0.04 6.97 7.01 1d6mA1 HIS 258 HE1 -0.01 0.02 -0.02 -0.04 7.75 7.69 1d6mA1 ARG 259 H -0.03 0.25 0.15 -0.55 8.46 8.28 1d6mA1 ARG 259 HA -0.52 0.01 -0.06 -0.75 4.34 3.01 1d6mA1 ARG 259 HB2 -0.73 0.08 0.14 -0.04 1.90 1.34 1d6mA1 ARG 259 HB3 -0.42 0.03 0.09 -0.04 1.80 1.45 1d6mA1 ARG 259 HG2 -0.65 -0.12 -0.03 -0.04 1.67 0.83 1d6mA1 ARG 259 HG3 -2.66 0.04 -0.01 -0.04 1.67 -1.00 1d6mA1 ARG 259 HD2 -0.57 0.03 -0.03 -0.04 3.22 2.61 1d6mA1 ARG 259 HD3 -0.43 0.03 -0.00 -0.04 3.22 2.78 1d6mA1 PRO 260 HA -0.23 -0.01 0.37 -0.51 4.44 4.06 1d6mA1 PRO 260 HB2 -0.87 0.03 0.04 -0.04 2.28 1.44 1d6mA1 PRO 260 HB3 -0.24 0.04 0.06 -0.04 2.02 1.83 1d6mA1 PRO 260 HG2 -0.19 0.07 0.02 -0.04 2.03 1.89 1d6mA1 PRO 260 HG3 -0.17 0.05 0.06 -0.04 2.03 1.93 1d6mA1 PRO 260 HD2 -0.53 0.05 -0.16 -0.04 3.68 3.00 1d6mA1 PRO 260 HD3 -0.25 0.11 0.13 -0.04 3.65 3.60 1d6mA1 LEU 261 H -0.39 0.34 -0.11 -0.55 8.37 7.66 1d6mA1 LEU 261 HA -0.13 -0.02 0.36 -0.75 4.35 3.80 1d6mA1 LEU 261 HB2 -0.08 0.17 0.12 -0.04 1.64 1.81 1d6mA1 LEU 261 HB3 0.20 0.00 -0.11 -0.04 1.64 1.69 1d6mA1 LEU 261 HG -0.06 -0.03 0.04 -0.04 1.64 1.54 1d6mA1 LEU 261 HD13 -0.74 -0.01 0.01 -0.04 0.93 0.15 1d6mA1 LEU 261 HD23 0.25 0.00 -0.02 -0.04 0.89 1.08 1d6mA1 ALA 262 H -0.02 0.32 -0.12 -0.55 8.40 8.03 1d6mA1 ALA 262 HA 0.01 -0.03 0.37 -0.75 4.34 3.93 1d6mA1 ALA 262 HB3 0.02 0.00 -0.01 -0.04 1.41 1.38 1d6mA1 GLU 263 H -0.14 0.27 -0.17 -0.55 8.60 8.01 1d6mA1 GLU 263 HA -0.09 -0.04 0.25 -0.75 4.29 3.65 1d6mA1 GLU 263 HB2 -0.14 0.02 0.03 -0.04 2.09 1.96 1d6mA1 GLU 263 HB3 -0.08 0.03 -0.09 -0.04 1.99 1.81 1d6mA1 GLU 263 HG2 -0.07 0.01 -0.03 -0.04 2.34 2.20 1d6mA1 GLU 263 HG3 -0.10 -0.04 -0.01 -0.04 2.34 2.16 1d6mA1 HIS 264 H -0.03 0.61 -0.10 -0.55 8.41 8.34 1d6mA1 HIS 264 HA -0.12 -0.03 0.45 -0.75 4.63 4.19 1d6mA1 HIS 264 HB2 -0.13 0.00 0.08 -0.04 3.26 3.17 1d6mA1 HIS 264 HB3 -0.17 0.05 0.16 -0.04 3.20 3.19 1d6mA1 HIS 264 HD2 -0.07 -0.01 0.02 -0.04 6.97 6.86 1d6mA1 HIS 264 HE1 -0.05 0.00 -0.04 -0.04 7.75 7.63 1d6mA1 VAL 265 H -0.28 0.52 0.01 -0.55 8.24 7.93 1d6mA1 VAL 265 HA -0.40 -0.03 0.30 -0.75 4.13 3.25 1d6mA1 VAL 265 HB -0.64 0.09 0.16 -0.04 2.12 1.69 1d6mA1 VAL 265 HG13 -0.83 -0.02 -0.08 -0.04 0.97 -0.01 1d6mA1 VAL 265 HG23 -1.43 0.07 0.06 -0.04 0.95 -0.40 1d6mA1 VAL 266 H -0.18 0.53 -0.15 -0.55 8.24 7.89 1d6mA1 VAL 266 HA -0.09 -0.12 0.27 -0.75 4.13 3.44 1d6mA1 VAL 266 HB -0.10 0.23 0.05 -0.04 2.12 2.27 1d6mA1 VAL 266 HG13 -0.06 -0.04 -0.20 -0.04 0.97 0.63 1d6mA1 VAL 266 HG23 -0.04 -0.01 -0.24 -0.04 0.95 0.62 1d6mA1 ASN 267 H -0.17 0.61 -0.05 -0.55 8.53 8.38 1d6mA1 ASN 267 HA -0.11 0.02 0.68 -0.75 4.76 4.59 1d6mA1 ASN 267 HB2 -0.19 0.13 0.22 -0.04 2.88 3.00 1d6mA1 ASN 267 HB3 -0.11 -0.06 0.08 -0.04 2.79 2.67 1d6mA1 ASN 267 HD21 -0.06 -0.13 -0.06 -0.04 7.03 6.73 1d6mA1 ASN 267 HD22 -0.08 0.10 -0.08 -0.04 7.74 7.65 1d6mA1 ARG 268 H -0.30 0.46 0.02 -0.55 8.46 8.10 1d6mA1 ARG 268 HA -0.16 0.01 0.40 -0.75 4.34 3.83 1d6mA1 ARG 268 HB2 -0.26 0.09 0.10 -0.04 1.90 1.78 1d6mA1 ARG 268 HB3 -0.16 -0.03 -0.03 -0.04 1.80 1.54 1d6mA1 ARG 268 HG2 -0.58 -0.02 -0.03 -0.04 1.67 1.01 1d6mA1 ARG 268 HG3 -0.57 -0.08 -0.15 -0.04 1.67 0.83 1d6mA1 ARG 268 HD2 -0.14 0.00 0.00 -0.04 3.22 3.04 1d6mA1 ARG 268 HD3 -0.14 -0.06 -0.03 -0.04 3.22 2.95 1d6mA1 ILE 269 H -0.16 0.60 -0.12 -0.55 8.25 8.02 1d6mA1 ILE 269 HA -0.13 0.02 0.55 -0.75 4.18 3.86 1d6mA1 ILE 269 HB -0.11 0.04 -0.02 -0.04 1.89 1.76 1d6mA1 ILE 269 HG12 -0.11 0.22 -0.07 -0.04 1.49 1.49 1d6mA1 ILE 269 HG13 0.20 -0.11 -0.18 -0.04 1.21 1.08 1d6mA1 ILE 269 HG23 -0.25 -0.05 -0.24 -0.04 0.93 0.34 1d6mA1 ILE 269 HD13 -0.03 -0.02 -0.24 -0.04 0.88 0.55 1d6mA1 SER 270 H -0.11 0.51 -0.08 -0.55 8.46 8.24 1d6mA1 SER 270 HA -0.09 -0.21 0.27 -0.75 4.49 3.70 1d6mA1 SER 270 HB2 -0.08 -0.15 0.22 -0.04 3.95 3.90 1d6mA1 SER 270 HB3 -0.09 0.14 0.26 -0.04 3.93 4.21 1d6mA1 GLY 271 H -0.08 0.13 -0.05 -0.55 8.43 7.88 1d6mA1 GLY 271 HA2 -0.06 0.04 0.38 -0.51 4.01 3.86 1d6mA1 GLY 271 HA3 -0.06 -0.02 0.41 -0.51 4.01 3.83 1d6mA1 GLN 272 H -0.09 0.39 -0.24 -0.55 8.47 7.99 1d6mA1 GLN 272 HA -0.05 0.06 0.54 -0.75 4.36 4.15 1d6mA1 GLN 272 HB2 -0.09 0.02 0.08 -0.04 2.15 2.12 1d6mA1 GLN 272 HB3 -0.06 -0.09 0.15 -0.04 2.02 1.98 1d6mA1 GLN 272 HG2 -0.07 0.18 -0.26 -0.04 2.40 2.20 1d6mA1 GLN 272 HG3 -0.07 0.23 0.06 -0.04 2.39 2.56 1d6mA1 GLN 272 HE21 -0.04 -0.11 -0.03 -0.04 6.97 6.74 1d6mA1 GLN 272 HE22 -0.05 0.11 -0.14 -0.04 7.69 7.57 1d6mA1 PRO 273 HA -0.04 0.14 0.65 -0.51 4.44 4.69 1d6mA1 PRO 273 HB2 -0.02 -0.00 0.03 -0.04 2.28 2.26 1d6mA1 PRO 273 HB3 -0.02 0.03 0.14 -0.04 2.02 2.13 1d6mA1 PRO 273 HG2 -0.02 -0.03 0.12 -0.04 2.03 2.05 1d6mA1 PRO 273 HG3 -0.02 0.02 0.11 -0.04 2.03 2.11 1d6mA1 PRO 273 HD2 -0.04 0.07 0.26 -0.04 3.68 3.93 1d6mA1 PRO 273 HD3 -0.03 0.17 0.24 -0.04 3.65 3.99 1d6mA1 ALA 274 H -0.03 0.97 0.35 -0.55 8.40 9.14 1d6mA1 ALA 274 HA -0.05 0.25 0.87 -0.75 4.34 4.66 1d6mA1 ALA 274 HB3 -0.08 -0.04 -0.21 -0.04 1.41 1.04 1d6mA1 ILE 275 H 0.02 0.61 0.24 -0.55 8.25 8.57 1d6mA1 ILE 275 HA 0.03 0.31 1.00 -0.75 4.18 4.77 1d6mA1 ILE 275 HB 0.04 -0.08 0.16 -0.04 1.89 1.97 1d6mA1 ILE 275 HG12 0.01 0.04 -0.04 -0.04 1.49 1.47 1d6mA1 ILE 275 HG13 0.02 -0.02 -0.02 -0.04 1.21 1.14 1d6mA1 ILE 275 HG23 0.03 0.06 -0.19 -0.04 0.93 0.79 1d6mA1 ILE 275 HD13 0.01 0.02 -0.15 -0.04 0.88 0.72 1d6mA1 VAL 276 H 0.06 0.65 0.19 -0.55 8.24 8.59 1d6mA1 VAL 276 HA 0.10 0.12 0.35 -0.75 4.13 3.95 1d6mA1 VAL 276 HB 0.06 -0.06 0.18 -0.04 2.12 2.26 1d6mA1 VAL 276 HG13 0.11 -0.03 -0.33 -0.04 0.97 0.69 1d6mA1 VAL 276 HG23 0.11 0.03 -0.08 -0.04 0.95 0.97 1d6mA1 THR 277 H 0.09 0.55 0.44 -0.55 8.28 8.81 1d6mA1 THR 277 HA 0.06 0.10 0.79 -0.75 4.39 4.58 1d6mA1 THR 277 HB 0.08 0.22 0.04 -0.04 4.32 4.63 1d6mA1 THR 277 HG23 0.06 -0.02 -0.14 -0.04 1.22 1.08 1d6mA1 SER 278 H 0.09 0.22 0.30 -0.55 8.46 8.53 1d6mA1 SER 278 HA 0.08 0.07 0.48 -0.75 4.49 4.36 1d6mA1 SER 278 HB2 0.05 0.04 0.13 -0.04 3.95 4.12 1d6mA1 SER 278 HB3 0.05 0.08 -0.20 -0.04 3.93 3.82 1d6mA1 TYR 279 H 0.15 0.27 0.21 -0.55 8.29 8.37 1d6mA1 TYR 279 HA 0.01 0.28 0.91 -0.75 4.56 5.01 1d6mA1 TYR 279 HB2 0.01 -0.05 -0.17 -0.04 3.06 2.81 1d6mA1 TYR 279 HB3 0.01 -0.11 0.06 -0.04 2.98 2.90 1d6mA1 TYR 279 HD2 -0.02 -0.08 -0.17 -0.04 7.15 6.84 1d6mA1 TYR 279 HE2 -0.03 0.11 -0.06 -0.04 6.85 6.83 1d6mA1 ASN 280 H -0.58 0.44 0.25 -0.55 8.53 8.09 1d6mA1 ASN 280 HA -0.07 0.11 0.87 -0.75 4.76 4.92 1d6mA1 ASN 280 HB2 -0.11 0.08 0.03 -0.04 2.88 2.85 1d6mA1 ASN 280 HB3 -0.11 -0.02 0.02 -0.04 2.79 2.64 1d6mA1 ASN 280 HD21 0.01 -0.01 -0.03 -0.04 7.03 6.96 1d6mA1 ASN 280 HD22 -0.01 -0.08 -0.30 -0.04 7.74 7.31 1d6mA1 ASP 281 H -0.05 0.21 0.06 -0.55 8.40 8.08 1d6mA1 ASP 281 HA -0.11 0.23 0.84 -0.75 4.63 4.83 1d6mA1 ASP 281 HB2 -0.04 0.04 -0.12 -0.04 2.71 2.56 1d6mA1 ASP 281 HB3 0.11 -0.04 0.10 -0.04 2.70 2.82 1d6mA1 LYS 282 H -0.06 0.66 0.29 -0.55 8.42 8.76 1d6mA1 LYS 282 HA -0.02 0.18 1.01 -0.75 4.32 4.74 1d6mA1 LYS 282 HB2 -0.02 0.02 -0.04 -0.04 1.87 1.79 1d6mA1 LYS 282 HB3 -0.02 0.01 0.06 -0.04 1.79 1.80 1d6mA1 LYS 282 HG2 -0.05 0.20 0.13 -0.04 1.46 1.70 1d6mA1 LYS 282 HG3 -0.03 0.00 -0.04 -0.04 1.46 1.35 1d6mA1 LYS 282 HD2 -0.03 -0.08 -0.12 -0.04 1.69 1.41 1d6mA1 LYS 282 HD3 -0.04 -0.01 -0.07 -0.04 1.68 1.52 1d6mA1 LYS 282 HE2 -0.02 0.02 -0.04 -0.04 2.99 2.91 1d6mA1 LYS 282 HE3 -0.01 0.01 -0.02 -0.04 2.99 2.92 1d6mA1 ARG 283 H -0.02 0.21 0.15 -0.55 8.46 8.25 1d6mA1 ARG 283 HA -0.05 0.28 1.03 -0.75 4.34 4.84 1d6mA1 ARG 283 HB2 -0.02 -0.04 0.14 -0.04 1.90 1.94 1d6mA1 ARG 283 HB3 -0.03 0.01 -0.05 -0.04 1.80 1.68 1d6mA1 ARG 283 HG2 -0.09 0.02 -0.08 -0.04 1.67 1.48 1d6mA1 ARG 283 HG3 -0.04 -0.02 -0.28 -0.04 1.67 1.28 1d6mA1 ARG 283 HD2 -0.02 -0.00 -0.07 -0.04 3.22 3.09 1d6mA1 ARG 283 HD3 -0.03 -0.01 -0.06 -0.04 3.22 3.08 1d6mA1 GLU 284 H 0.02 0.78 0.32 -0.55 8.60 9.17 1d6mA1 GLU 284 HA 0.02 0.16 0.98 -0.75 4.29 4.71 1d6mA1 GLU 284 HB2 0.05 0.05 -0.03 -0.04 2.09 2.11 1d6mA1 GLU 284 HB3 0.01 -0.00 0.02 -0.04 1.99 1.98 1d6mA1 GLU 284 HG2 0.02 0.03 0.00 -0.04 2.34 2.35 1d6mA1 GLU 284 HG3 0.09 -0.06 0.00 -0.04 2.34 2.33 1d6mA1 SER 285 H 0.05 0.17 0.18 -0.55 8.46 8.31 1d6mA1 SER 285 HA 0.10 0.25 1.21 -0.75 4.49 5.30 1d6mA1 SER 285 HB2 0.07 0.07 -0.08 -0.04 3.95 3.97 1d6mA1 SER 285 HB3 0.03 -0.02 -0.09 -0.04 3.93 3.81 1d6mA1 GLU 286 H 0.20 0.63 0.21 -0.55 8.60 9.10 1d6mA1 GLU 286 HA 0.16 0.15 0.97 -0.75 4.29 4.81 1d6mA1 GLU 286 HB2 0.25 0.05 0.06 -0.04 2.09 2.42 1d6mA1 GLU 286 HB3 0.27 -0.03 -0.09 -0.04 1.99 2.09 1d6mA1 GLU 286 HG2 0.53 -0.05 -0.01 -0.04 2.34 2.76 1d6mA1 GLU 286 HG3 0.75 -0.03 -0.08 -0.04 2.34 2.94 1d6mA1 SER 287 H 0.10 0.15 0.11 -0.55 8.46 8.28 1d6mA1 SER 287 HA 0.17 0.03 0.77 -0.75 4.49 4.70 1d6mA1 SER 287 HB2 -0.06 0.07 0.08 -0.04 3.95 3.99 1d6mA1 SER 287 HB3 0.02 -0.04 0.07 -0.04 3.93 3.95 1d6mA1 ALA 288 H -0.25 0.12 0.12 -0.55 8.40 7.84 1d6mA1 ALA 288 HA -2.35 0.03 0.41 -0.75 4.34 1.68 1d6mA1 ALA 288 HB3 -0.45 0.02 0.03 -0.04 1.41 0.97 1d6mA1 PRO 289 HA -0.34 0.01 0.45 -0.51 4.44 4.05 1d6mA1 PRO 289 HB2 -0.36 0.13 -0.02 -0.04 2.28 2.00 1d6mA1 PRO 289 HB3 -0.27 -0.04 0.10 -0.04 2.02 1.77 1d6mA1 PRO 289 HG2 -0.49 0.01 0.03 -0.04 2.03 1.54 1d6mA1 PRO 289 HG3 -0.55 0.02 0.05 -0.04 2.03 1.52 1d6mA1 PRO 289 HD2 -1.08 0.10 0.15 -0.04 3.68 2.81 1d6mA1 PRO 289 HD3 -2.45 0.09 0.18 -0.04 3.65 1.43 1d6mA1 LEU 290 H -0.28 -0.00 0.11 -0.55 8.37 7.65 1d6mA1 LEU 290 HA -0.38 0.09 0.51 -0.75 4.35 3.82 1d6mA1 LEU 290 HB2 -0.30 -0.12 0.07 -0.04 1.64 1.25 1d6mA1 LEU 290 HB3 -0.46 0.33 0.16 -0.04 1.64 1.63 1d6mA1 LEU 290 HG -0.32 -0.04 0.03 -0.04 1.64 1.26 1d6mA1 LEU 290 HD13 -0.41 -0.03 -0.03 -0.04 0.93 0.42 1d6mA1 LEU 290 HD23 -0.70 0.01 -0.03 -0.04 0.89 0.14 1d6mA1 PRO 291 HA -0.33 0.05 0.34 -0.51 4.44 3.98 1d6mA1 PRO 291 HB2 -0.13 -0.01 -0.18 -0.04 2.28 1.92 1d6mA1 PRO 291 HB3 -0.11 0.04 -0.06 -0.04 2.02 1.85 1d6mA1 PRO 291 HG2 -0.34 -0.04 -0.09 -0.04 2.03 1.52 1d6mA1 PRO 291 HG3 -0.35 0.05 -0.00 -0.04 2.03 1.69 1d6mA1 PRO 291 HD2 -0.43 0.47 0.30 -0.04 3.68 3.98 1d6mA1 PRO 291 HD3 -0.42 0.04 0.22 -0.04 3.65 3.45 1d6mA1 PHE 292 H -0.21 0.15 0.10 -0.55 8.34 7.83 1d6mA1 PHE 292 HA -0.07 -0.00 0.33 -0.75 4.62 4.12 1d6mA1 PHE 292 HB2 -0.04 0.11 0.08 -0.04 3.15 3.27 1d6mA1 PHE 292 HB3 -0.04 -0.02 -0.11 -0.04 3.06 2.85 1d6mA1 PHE 292 HD2 -0.04 -0.01 -0.12 -0.04 7.28 7.07 1d6mA1 PHE 292 HE2 -0.01 0.01 -0.15 -0.04 7.38 7.18 1d6mA1 PHE 292 HZ -0.00 -0.01 -0.05 -0.04 7.32 7.22 1d6mA1 SER 293 H 0.16 0.02 0.21 -0.55 8.46 8.30 1d6mA1 SER 293 HA 0.04 0.29 0.75 -0.75 4.49 4.82 1d6mA1 SER 293 HB2 0.03 -0.04 0.11 -0.04 3.95 4.01 1d6mA1 SER 293 HB3 0.03 0.28 -0.22 -0.04 3.93 3.98 1d6mA1 LEU 294 H -0.03 0.51 0.17 -0.55 8.37 8.47 1d6mA1 LEU 294 HA -0.09 0.12 0.35 -0.75 4.35 3.97 1d6mA1 LEU 294 HB2 -0.10 0.19 0.18 -0.04 1.64 1.86 1d6mA1 LEU 294 HB3 -0.06 -0.13 0.11 -0.04 1.64 1.51 1d6mA1 LEU 294 HG -0.08 -0.10 -0.20 -0.04 1.64 1.21 1d6mA1 LEU 294 HD13 -0.11 0.09 0.05 -0.04 0.93 0.92 1d6mA1 LEU 294 HD23 -0.09 0.01 -0.00 -0.04 0.89 0.76 1d6mA1 SER 295 H -0.04 0.15 -0.09 -0.55 8.46 7.93 1d6mA1 SER 295 HA -0.06 0.01 0.37 -0.75 4.49 4.06 1d6mA1 SER 295 HB2 -0.02 0.12 -0.09 -0.04 3.95 3.92 1d6mA1 SER 295 HB3 -0.03 -0.02 0.02 -0.04 3.93 3.86 1d6mA1 ALA 296 H -0.02 0.08 -0.25 -0.55 8.40 7.67 1d6mA1 ALA 296 HA -0.00 0.05 0.32 -0.75 4.34 3.96 1d6mA1 ALA 296 HB3 0.15 0.01 0.11 -0.04 1.41 1.64 1d6mA1 LEU 297 H -0.26 0.66 -0.10 -0.55 8.37 8.13 1d6mA1 LEU 297 HA -1.41 0.04 0.39 -0.75 4.35 2.60 1d6mA1 LEU 297 HB2 -0.76 0.02 0.01 -0.04 1.64 0.87 1d6mA1 LEU 297 HB3 -0.29 0.09 0.08 -0.04 1.64 1.48 1d6mA1 LEU 297 HG -0.23 -0.07 -0.34 -0.04 1.64 0.96 1d6mA1 LEU 297 HD13 -0.28 -0.00 -0.02 -0.04 0.93 0.59 1d6mA1 LEU 297 HD23 -0.09 0.01 -0.08 -0.04 0.89 0.68 1d6mA1 GLN 298 H -0.18 0.82 -0.04 -0.55 8.47 8.52 1d6mA1 GLN 298 HA -0.11 -0.04 0.41 -0.75 4.36 3.87 1d6mA1 GLN 298 HB2 -0.09 0.10 0.26 -0.04 2.15 2.37 1d6mA1 GLN 298 HB3 -0.07 -0.13 0.02 -0.04 2.02 1.80 1d6mA1 GLN 298 HG2 -0.07 -0.06 0.06 -0.04 2.40 2.29 1d6mA1 GLN 298 HG3 -0.10 0.11 0.01 -0.04 2.39 2.37 1d6mA1 GLN 298 HE21 -0.06 -0.08 -0.07 -0.04 6.97 6.72 1d6mA1 GLN 298 HE22 -0.07 0.16 -0.02 -0.04 7.69 7.73 1d6mA1 ILE 299 H -0.09 0.82 -0.02 -0.55 8.25 8.41 1d6mA1 ILE 299 HA -0.05 -0.11 0.41 -0.75 4.18 3.68 1d6mA1 ILE 299 HB -0.04 0.21 0.12 -0.04 1.89 2.14 1d6mA1 ILE 299 HG12 -0.02 -0.04 0.03 -0.04 1.49 1.41 1d6mA1 ILE 299 HG13 -0.04 0.12 0.03 -0.04 1.21 1.28 1d6mA1 ILE 299 HG23 0.00 -0.02 -0.09 -0.04 0.93 0.78 1d6mA1 ILE 299 HD13 -0.00 -0.01 -0.18 -0.04 0.88 0.64 1d6mA1 GLU 300 H -0.17 0.50 -0.14 -0.55 8.60 8.24 1d6mA1 GLU 300 HA -0.03 0.03 0.47 -0.75 4.29 4.00 1d6mA1 GLU 300 HB2 0.03 0.05 0.09 -0.04 2.09 2.22 1d6mA1 GLU 300 HB3 -0.23 0.04 0.12 -0.04 1.99 1.87 1d6mA1 GLU 300 HG2 0.28 0.04 -0.02 -0.04 2.34 2.59 1d6mA1 GLU 300 HG3 0.03 -0.04 -0.10 -0.04 2.34 2.19 1d6mA1 ALA 301 H -0.13 0.80 0.01 -0.55 8.40 8.53 1d6mA1 ALA 301 HA 0.06 0.02 0.39 -0.75 4.34 4.05 1d6mA1 ALA 301 HB3 0.01 0.01 0.09 -0.04 1.41 1.47 1d6mA1 ALA 302 H -0.05 0.80 -0.04 -0.55 8.40 8.56 1d6mA1 ALA 302 HA -0.02 -0.05 0.42 -0.75 4.34 3.93 1d6mA1 ALA 302 HB3 -0.04 -0.02 0.07 -0.04 1.41 1.38 1d6mA1 LYS 303 H -0.05 0.74 -0.01 -0.55 8.42 8.55 1d6mA1 LYS 303 HA -0.05 -0.06 0.38 -0.75 4.32 3.84 1d6mA1 LYS 303 HB2 -0.02 -0.08 0.14 -0.04 1.87 1.86 1d6mA1 LYS 303 HB3 -0.04 0.13 0.16 -0.04 1.79 2.00 1d6mA1 LYS 303 HG2 -0.05 0.03 -0.10 -0.04 1.46 1.31 1d6mA1 LYS 303 HG3 -0.01 -0.07 0.04 -0.04 1.46 1.38 1d6mA1 LYS 303 HD2 -0.00 0.02 -0.02 -0.04 1.69 1.64 1d6mA1 LYS 303 HD3 -0.01 0.00 -0.05 -0.04 1.68 1.59 1d6mA1 LYS 303 HE2 0.02 0.03 -0.03 -0.04 2.99 2.96 1d6mA1 LYS 303 HE3 0.01 -0.03 -0.02 -0.04 2.99 2.91 1d6mA1 ARG 304 H -0.18 0.40 -0.17 -0.55 8.46 7.95 1d6mA1 ARG 304 HA -0.22 0.17 0.89 -0.75 4.34 4.43 1d6mA1 ARG 304 HB2 -0.64 0.07 0.08 -0.04 1.90 1.37 1d6mA1 ARG 304 HB3 -1.11 -0.05 -0.11 -0.04 1.80 0.49 1d6mA1 ARG 304 HG2 -0.19 0.01 -0.03 -0.04 1.67 1.42 1d6mA1 ARG 304 HG3 -0.17 0.04 -0.02 -0.04 1.67 1.48 1d6mA1 ARG 304 HD2 -0.09 -0.04 -0.01 -0.04 3.22 3.04 1d6mA1 ARG 304 HD3 -0.19 0.01 -0.03 -0.04 3.22 2.96 1d6mA1 PHE 305 H -0.11 0.56 0.17 -0.55 8.34 8.41 1d6mA1 PHE 305 HA -0.01 0.22 0.97 -0.75 4.62 5.05 1d6mA1 PHE 305 HB2 -0.02 -0.01 0.04 -0.04 3.15 3.12 1d6mA1 PHE 305 HB3 -0.01 -0.06 0.08 -0.04 3.06 3.03 1d6mA1 PHE 305 HD2 0.00 0.01 0.01 -0.04 7.28 7.26 1d6mA1 PHE 305 HE2 0.03 0.03 -0.05 -0.04 7.38 7.34 1d6mA1 PHE 305 HZ 0.04 0.02 -0.02 -0.04 7.32 7.31 1d6mA1 GLY 306 H 0.01 0.45 0.13 -0.55 8.43 8.48 1d6mA1 GLY 306 HA2 -0.02 0.05 0.37 -0.51 4.01 3.90 1d6mA1 GLY 306 HA3 -0.00 0.04 0.42 -0.51 4.01 3.96 1d6mA1 LEU 307 H 0.03 0.25 -0.18 -0.55 8.37 7.93 1d6mA1 LEU 307 HA -0.01 0.15 0.80 -0.75 4.35 4.54 1d6mA1 LEU 307 HB2 0.03 -0.02 -0.02 -0.04 1.64 1.59 1d6mA1 LEU 307 HB3 -0.00 -0.09 -0.01 -0.04 1.64 1.50 1d6mA1 LEU 307 HG 0.16 0.01 -0.24 -0.04 1.64 1.53 1d6mA1 LEU 307 HD13 0.00 -0.01 -0.07 -0.04 0.93 0.81 1d6mA1 LEU 307 HD23 0.02 0.05 -0.22 -0.04 0.89 0.69 1d6mA1 SER 308 H -0.05 0.17 0.05 -0.55 8.46 8.08 1d6mA1 SER 308 HA -0.07 0.12 0.46 -0.75 4.49 4.25 1d6mA1 SER 308 HB2 -0.13 0.02 0.10 -0.04 3.95 3.91 1d6mA1 SER 308 HB3 -0.11 0.18 0.11 -0.04 3.93 4.07 1d6mA1 ALA 309 H -0.07 0.17 0.10 -0.55 8.40 8.06 1d6mA1 ALA 309 HA -0.06 0.18 0.35 -0.75 4.34 4.05 1d6mA1 ALA 309 HB3 -0.05 0.02 0.06 -0.04 1.41 1.39 1d6mA1 GLN 310 H -0.07 0.11 -0.09 -0.55 8.47 7.88 1d6mA1 GLN 310 HA -0.05 0.07 0.35 -0.75 4.36 3.98 1d6mA1 GLN 310 HB2 -0.05 0.03 0.02 -0.04 2.15 2.11 1d6mA1 GLN 310 HB3 -0.07 -0.01 0.03 -0.04 2.02 1.94 1d6mA1 GLN 310 HG2 -0.04 0.08 -0.06 -0.04 2.40 2.33 1d6mA1 GLN 310 HG3 -0.04 0.01 -0.18 -0.04 2.39 2.14 1d6mA1 GLN 310 HE21 -0.03 0.03 -0.04 -0.04 6.97 6.89 1d6mA1 GLN 310 HE22 -0.03 0.00 -0.05 -0.04 7.69 7.57 1d6mA1 ASN 311 H -0.06 0.03 -0.30 -0.55 8.53 7.65 1d6mA1 ASN 311 HA -0.04 0.05 0.30 -0.75 4.76 4.32 1d6mA1 ASN 311 HB2 -0.05 -0.15 0.02 -0.04 2.88 2.66 1d6mA1 ASN 311 HB3 -0.03 0.13 -0.06 -0.04 2.79 2.78 1d6mA1 ASN 311 HD21 -0.03 0.05 -0.01 -0.04 7.03 7.00 1d6mA1 ASN 311 HD22 -0.03 -0.03 -0.08 -0.04 7.74 7.56 1d6mA1 VAL 312 H -0.04 0.51 -0.32 -0.55 8.24 7.84 1d6mA1 VAL 312 HA -0.03 -0.01 0.33 -0.75 4.13 3.66 1d6mA1 VAL 312 HB -0.06 0.10 0.11 -0.04 2.12 2.23 1d6mA1 VAL 312 HG13 -0.07 -0.01 -0.14 -0.04 0.97 0.71 1d6mA1 VAL 312 HG23 -0.03 0.03 -0.06 -0.04 0.95 0.85 1d6mA1 LEU 313 H -0.05 0.47 -0.18 -0.55 8.37 8.06 1d6mA1 LEU 313 HA -0.07 0.06 0.47 -0.75 4.35 4.05 1d6mA1 LEU 313 HB2 -0.06 -0.01 0.07 -0.04 1.64 1.60 1d6mA1 LEU 313 HB3 -0.05 0.03 0.16 -0.04 1.64 1.74 1d6mA1 LEU 313 HG -0.05 -0.00 -0.13 -0.04 1.64 1.41 1d6mA1 LEU 313 HD13 -0.10 -0.01 0.00 -0.04 0.93 0.78 1d6mA1 LEU 313 HD23 -0.05 -0.03 -0.00 -0.04 0.89 0.76 1d6mA1 ASP 314 H -0.04 0.67 -0.09 -0.55 8.40 8.40 1d6mA1 ASP 314 HA -0.03 -0.02 0.36 -0.75 4.63 4.19 1d6mA1 ASP 314 HB2 -0.03 0.18 0.22 -0.04 2.71 3.04 1d6mA1 ASP 314 HB3 -0.03 -0.04 0.03 -0.04 2.70 2.62 1d6mA1 ILE 315 H -0.02 0.56 0.00 -0.55 8.25 8.24 1d6mA1 ILE 315 HA -0.00 -0.05 0.27 -0.75 4.18 3.64 1d6mA1 ILE 315 HB -0.01 0.12 0.02 -0.04 1.89 1.98 1d6mA1 ILE 315 HG12 -0.01 -0.09 -0.02 -0.04 1.49 1.33 1d6mA1 ILE 315 HG13 -0.02 0.37 0.07 -0.04 1.21 1.59 1d6mA1 ILE 315 HG23 0.02 -0.00 -0.08 -0.04 0.93 0.82 1d6mA1 ILE 315 HD13 -0.02 -0.02 -0.19 -0.04 0.88 0.61 1d6mA1 CYS 316 H -0.02 0.58 -0.27 -0.55 8.50 8.24 1d6mA1 CYS 316 HA 0.02 0.03 0.47 -0.75 4.58 4.34 1d6mA1 CYS 316 HB2 -0.07 0.06 0.17 -0.04 2.97 3.09 1d6mA1 CYS 316 HB3 -0.07 -0.04 0.06 -0.04 2.97 2.87 1d6mA1 GLN 317 H -0.02 0.64 -0.05 -0.55 8.47 8.50 1d6mA1 GLN 317 HA 0.07 0.02 0.39 -0.75 4.36 4.10 1d6mA1 GLN 317 HB2 -0.01 0.11 0.14 -0.04 2.15 2.35 1d6mA1 GLN 317 HB3 0.02 -0.09 0.05 -0.04 2.02 1.95 1d6mA1 GLN 317 HG2 -0.05 0.14 0.03 -0.04 2.40 2.49 1d6mA1 GLN 317 HG3 -0.02 -0.05 -0.01 -0.04 2.39 2.27 1d6mA1 GLN 317 HE21 0.14 -0.03 -0.04 -0.04 6.97 7.00 1d6mA1 GLN 317 HE22 0.13 -0.01 0.03 -0.04 7.69 7.80 1d6mA1 LYS 318 H -0.01 0.46 -0.12 -0.55 8.42 8.20 1d6mA1 LYS 318 HA -0.09 -0.04 0.43 -0.75 4.32 3.86 1d6mA1 LYS 318 HB2 -0.04 0.02 0.07 -0.04 1.87 1.88 1d6mA1 LYS 318 HB3 0.00 0.10 0.10 -0.04 1.79 1.95 1d6mA1 LYS 318 HG2 -0.34 -0.05 -0.01 -0.04 1.46 1.02 1d6mA1 LYS 318 HG3 -0.15 -0.01 0.05 -0.04 1.46 1.31 1d6mA1 LYS 318 HD2 -0.02 -0.02 -0.01 -0.04 1.69 1.60 1d6mA1 LYS 318 HD3 0.05 -0.00 -0.01 -0.04 1.68 1.67 1d6mA1 LYS 318 HE2 -0.14 0.01 0.01 -0.04 2.99 2.83 1d6mA1 LYS 318 HE3 -0.01 -0.01 0.00 -0.04 2.99 2.93 1d6mA1 LEU 319 H 0.06 0.61 -0.10 -0.55 8.37 8.39 1d6mA1 LEU 319 HA 0.19 -0.03 0.35 -0.75 4.35 4.11 1d6mA1 LEU 319 HB2 0.10 0.13 0.05 -0.04 1.64 1.88 1d6mA1 LEU 319 HB3 0.15 0.03 -0.18 -0.04 1.64 1.60 1d6mA1 LEU 319 HG 0.11 -0.01 0.01 -0.04 1.64 1.71 1d6mA1 LEU 319 HD13 0.16 0.03 -0.11 -0.04 0.93 0.96 1d6mA1 LEU 319 HD23 0.09 -0.01 -0.08 -0.04 0.89 0.85 1d6mA1 TYR 320 H 0.15 0.41 -0.33 -0.55 8.29 7.97 1d6mA1 TYR 320 HA 0.02 0.16 0.53 -0.75 4.56 4.52 1d6mA1 TYR 320 HB2 -0.02 0.10 -0.10 -0.04 3.06 3.00 1d6mA1 TYR 320 HB3 -0.04 -0.03 0.09 -0.04 2.98 2.96 1d6mA1 TYR 320 HD2 0.01 0.14 -0.11 -0.04 7.15 7.15 1d6mA1 TYR 320 HE2 0.12 0.01 -0.17 -0.04 6.85 6.76 1d6mA1 GLU 321 H -0.01 0.69 0.03 -0.55 8.60 8.76 1d6mA1 GLU 321 HA -0.36 0.10 0.63 -0.75 4.29 3.91 1d6mA1 GLU 321 HB2 -0.09 0.02 0.14 -0.04 2.09 2.12 1d6mA1 GLU 321 HB3 -0.14 -0.06 -0.04 -0.04 1.99 1.71 1d6mA1 GLU 321 HG2 -0.12 -0.02 -0.07 -0.04 2.34 2.08 1d6mA1 GLU 321 HG3 0.09 0.09 0.08 -0.04 2.34 2.56 1d6mA1 THR 322 H -0.15 0.18 0.11 -0.55 8.28 7.87 1d6mA1 THR 322 HA -0.16 0.08 0.52 -0.75 4.39 4.08 1d6mA1 THR 322 HB -0.47 0.08 0.29 -0.04 4.32 4.18 1d6mA1 THR 322 HG23 -0.30 0.00 -0.03 -0.04 1.22 0.85 1d6mA1 HIS 323 H -0.42 0.28 0.07 -0.55 8.41 7.80 1d6mA1 HIS 323 HA -0.07 0.05 0.25 -0.75 4.63 4.10 1d6mA1 HIS 323 HB2 -0.07 0.04 0.02 -0.04 3.26 3.22 1d6mA1 HIS 323 HB3 -0.13 0.03 -0.03 -0.04 3.20 3.03 1d6mA1 HIS 323 HD2 -0.05 -0.05 -0.18 -0.04 6.97 6.64 1d6mA1 HIS 323 HE1 -0.05 0.01 0.02 -0.04 7.75 7.69 1d6mA1 LYS 324 H -0.02 0.07 -0.73 -0.55 8.42 7.19 1d6mA1 LYS 324 HA -0.04 0.19 0.20 -0.75 4.32 3.92 1d6mA1 LYS 324 HB2 -0.02 0.19 -0.59 -0.04 1.87 1.41 1d6mA1 LYS 324 HB3 -0.01 -0.20 0.18 -0.04 1.79 1.72 1d6mA1 LYS 324 HG2 -0.06 -0.14 -0.33 -0.04 1.46 0.90 1d6mA1 LYS 324 HG3 -0.12 0.09 -0.09 -0.04 1.46 1.30 1d6mA1 LYS 324 HD2 -0.08 0.46 -0.16 -0.04 1.69 1.87 1d6mA1 LYS 324 HD3 -0.05 -0.11 -0.11 -0.04 1.68 1.37 1d6mA1 LYS 324 HE2 -0.13 0.12 0.06 -0.04 2.99 3.00 1d6mA1 LYS 324 HE3 -0.09 -0.08 0.02 -0.04 2.99 2.80 1d6mA1 LEU 325 H 0.07 0.45 -0.13 -0.55 8.37 8.21 1d6mA1 LEU 325 HA 0.08 0.02 0.84 -0.75 4.35 4.53 1d6mA1 LEU 325 HB2 -0.03 -0.02 0.10 -0.04 1.64 1.64 1d6mA1 LEU 325 HB3 -0.08 0.07 -0.19 -0.04 1.64 1.40 1d6mA1 LEU 325 HG -0.12 0.03 -0.25 -0.04 1.64 1.25 1d6mA1 LEU 325 HD13 -0.24 -0.01 -0.04 -0.04 0.93 0.59 1d6mA1 LEU 325 HD23 -0.91 0.01 -0.11 -0.04 0.89 -0.17 1d6mA1 ILE 326 H 0.15 0.37 -0.09 -0.55 8.25 8.14 1d6mA1 ILE 326 HA 0.11 0.11 0.51 -0.75 4.18 4.16 1d6mA1 ILE 326 HB 0.17 -0.10 -0.61 -0.04 1.89 1.31 1d6mA1 ILE 326 HG12 0.25 0.05 -0.34 -0.04 1.49 1.41 1d6mA1 ILE 326 HG13 0.12 -0.09 -0.19 -0.04 1.21 1.01 1d6mA1 ILE 326 HG23 0.07 -0.01 -0.29 -0.04 0.93 0.66 1d6mA1 ILE 326 HD13 0.03 0.00 -0.07 -0.04 0.88 0.80 1d6mA1 THR 327 H 0.10 0.39 0.18 -0.55 8.28 8.40 1d6mA1 THR 327 HA 0.25 0.12 0.72 -0.75 4.39 4.73 1d6mA1 THR 327 HB 0.06 0.05 0.05 -0.04 4.32 4.43 1d6mA1 THR 327 HG23 0.37 0.05 -0.05 -0.04 1.22 1.55 1d6mA1 TYR 328 H 0.03 0.51 0.27 -0.55 8.29 8.55 1d6mA1 TYR 328 HA -1.39 0.02 0.38 -0.75 4.56 2.83 1d6mA1 TYR 328 HB2 -0.22 0.11 0.25 -0.04 3.06 3.15 1d6mA1 TYR 328 HB3 -0.25 -0.02 0.17 -0.04 2.98 2.84 1d6mA1 TYR 328 HD2 -0.31 0.07 -0.08 -0.04 7.15 6.78 1d6mA1 TYR 328 HE2 -0.20 0.02 -0.16 -0.04 6.85 6.46 1d6mA1 PRO 329 HA -0.29 0.22 0.64 -0.51 4.44 4.50 1d6mA1 PRO 329 HB2 -0.22 -0.06 0.08 -0.04 2.28 2.04 1d6mA1 PRO 329 HB3 -0.18 0.14 0.04 -0.04 2.02 1.98 1d6mA1 PRO 329 HG2 -0.36 -0.07 -0.11 -0.04 2.03 1.45 1d6mA1 PRO 329 HG3 -0.17 0.15 -0.24 -0.04 2.03 1.73 1d6mA1 PRO 329 HD2 -1.12 -0.01 0.10 -0.04 3.68 2.60 1d6mA1 PRO 329 HD3 -1.05 0.27 0.03 -0.04 3.65 2.86 1d6mA1 ARG 330 H -1.20 0.18 -0.34 -0.55 8.46 6.54 1d6mA1 ARG 330 HA -0.21 0.24 0.92 -0.75 4.34 4.53 1d6mA1 ARG 330 HB2 -0.13 -0.16 0.11 -0.04 1.90 1.67 1d6mA1 ARG 330 HB3 -0.19 0.09 -0.05 -0.04 1.80 1.61 1d6mA1 ARG 330 HG2 -0.54 0.05 -0.13 -0.04 1.67 1.01 1d6mA1 ARG 330 HG3 -0.41 -0.00 -0.04 -0.04 1.67 1.18 1d6mA1 ARG 330 HD2 0.02 -0.04 -0.03 -0.04 3.22 3.13 1d6mA1 ARG 330 HD3 -0.06 -0.08 -0.00 -0.04 3.22 3.03 1d6mA1 SER 331 H -0.17 0.28 -0.34 -0.55 8.46 7.68 1d6mA1 SER 331 HA -0.06 0.02 0.68 -0.75 4.49 4.37 1d6mA1 SER 331 HB2 0.16 0.08 0.02 -0.04 3.95 4.17 1d6mA1 SER 331 HB3 0.01 0.01 0.10 -0.04 3.93 4.02 1d6mA1 ASP 332 H 0.32 0.14 0.19 -0.55 8.40 8.50 1d6mA1 ASP 332 HA 0.05 0.04 0.70 -0.75 4.63 4.67 1d6mA1 ASP 332 HB2 0.06 0.09 0.10 -0.04 2.71 2.92 1d6mA1 ASP 332 HB3 0.06 -0.15 0.09 -0.04 2.70 2.66 1d6mA1 CYS 333 H 0.18 -0.06 -0.06 -0.55 8.50 8.02 1d6mA1 CYS 333 HA 0.05 0.08 0.43 -0.75 4.58 4.38 1d6mA1 CYS 333 HB2 -0.18 -0.08 0.13 -0.04 2.97 2.79 1d6mA1 CYS 333 HB3 -0.00 0.04 -0.15 -0.04 2.97 2.83 1d6mA1 ARG 334 H 0.11 0.09 0.18 -0.55 8.46 8.29 1d6mA1 ARG 334 HA -0.06 0.28 0.71 -0.75 4.34 4.52 1d6mA1 ARG 334 HB2 -0.09 -0.06 0.04 -0.04 1.90 1.75 1d6mA1 ARG 334 HB3 -0.28 0.02 0.09 -0.04 1.80 1.60 1d6mA1 ARG 334 HG2 -0.02 0.10 -0.10 -0.04 1.67 1.60 1d6mA1 ARG 334 HG3 -0.00 0.02 -0.23 -0.04 1.67 1.41 1d6mA1 ARG 334 HD2 -0.01 -0.09 -0.03 -0.04 3.22 3.05 1d6mA1 ARG 334 HD3 -0.08 -0.01 -0.03 -0.04 3.22 3.05 1d6mA1 TYR 335 H 0.13 -0.05 0.10 -0.55 8.29 7.92 1d6mA1 TYR 335 HA -0.20 0.19 0.81 -0.75 4.56 4.60 1d6mA1 TYR 335 HB2 -0.08 0.02 0.02 -0.04 3.06 2.97 1d6mA1 TYR 335 HB3 -0.11 0.14 0.11 -0.04 2.98 3.08 1d6mA1 TYR 335 HD2 -0.10 0.04 0.08 -0.04 7.15 7.12 1d6mA1 TYR 335 HE2 -0.08 0.02 -0.05 -0.04 6.85 6.70 1d6mA1 LEU 336 H -0.10 0.63 0.14 -0.55 8.37 8.49 1d6mA1 LEU 336 HA -0.11 0.11 0.84 -0.75 4.35 4.43 1d6mA1 LEU 336 HB2 -0.61 -0.03 -0.20 -0.04 1.64 0.76 1d6mA1 LEU 336 HB3 -0.16 0.05 -0.11 -0.04 1.64 1.38 1d6mA1 LEU 336 HG -0.27 0.01 -0.46 -0.04 1.64 0.88 1d6mA1 LEU 336 HD13 -0.56 0.01 -0.16 -0.04 0.93 0.17 1d6mA1 LEU 336 HD23 -0.16 -0.00 -0.09 -0.04 0.89 0.60 1d6mA1 PRO 337 HA 0.05 0.07 0.34 -0.51 4.44 4.39 1d6mA1 PRO 337 HB2 0.07 -0.10 -0.13 -0.04 2.28 2.07 1d6mA1 PRO 337 HB3 0.03 0.11 0.01 -0.04 2.02 2.12 1d6mA1 PRO 337 HG2 -0.89 0.06 -0.03 -0.04 2.03 1.14 1d6mA1 PRO 337 HG3 -0.12 0.11 -0.06 -0.04 2.03 1.92 1d6mA1 PRO 337 HD2 -0.82 0.13 0.10 -0.04 3.68 3.05 1d6mA1 PRO 337 HD3 -0.35 0.15 0.13 -0.04 3.65 3.54 1d6mA1 GLU 338 H 0.12 0.14 0.14 -0.55 8.60 8.45 1d6mA1 GLU 338 HA 0.29 0.14 0.29 -0.75 4.29 4.25 1d6mA1 GLU 338 HB2 0.09 -0.04 0.22 -0.04 2.09 2.32 1d6mA1 GLU 338 HB3 0.08 0.08 0.10 -0.04 1.99 2.22 1d6mA1 GLU 338 HG2 0.09 0.13 -0.00 -0.04 2.34 2.52 1d6mA1 GLU 338 HG3 0.13 -0.09 -0.14 -0.04 2.34 2.20 1d6mA1 GLU 339 H 0.16 0.09 -0.13 -0.55 8.60 8.17 1d6mA1 GLU 339 HA 0.11 0.10 0.12 -0.75 4.29 3.87 1d6mA1 GLU 339 HB2 0.09 0.04 0.09 -0.04 2.09 2.27 1d6mA1 GLU 339 HB3 0.11 -0.02 0.08 -0.04 1.99 2.11 1d6mA1 GLU 339 HG2 0.25 -0.00 -0.23 -0.04 2.34 2.31 1d6mA1 GLU 339 HG3 0.10 0.02 -0.07 -0.04 2.34 2.35 1d6mA1 HIS 340 H 0.42 0.43 -0.57 -0.55 8.41 8.13 1d6mA1 HIS 340 HA 0.12 0.06 0.51 -0.75 4.63 4.57 1d6mA1 HIS 340 HB2 0.43 0.25 0.02 -0.04 3.26 3.92 1d6mA1 HIS 340 HB3 0.49 0.02 -0.06 -0.04 3.20 3.60 1d6mA1 HIS 340 HD2 -0.02 0.06 -0.06 -0.04 6.97 6.90 1d6mA1 HIS 340 HE1 0.07 0.01 -0.08 -0.04 7.75 7.71 1d6mA1 PHE 341 H 0.14 0.47 -0.06 -0.55 8.34 8.33 1d6mA1 PHE 341 HA -1.00 0.07 0.17 -0.75 4.62 3.10 1d6mA1 PHE 341 HB2 -0.81 0.04 0.15 -0.04 3.15 2.49 1d6mA1 PHE 341 HB3 -0.33 -0.03 0.10 -0.04 3.06 2.76 1d6mA1 PHE 341 HD2 -1.41 -0.06 -0.04 -0.04 7.28 5.73 1d6mA1 PHE 341 HE2 -0.12 0.07 0.01 -0.04 7.38 7.30 1d6mA1 PHE 341 HZ -0.05 0.16 -0.19 -0.04 7.32 7.20 1d6mA1 ALA 342 H -0.02 0.15 -0.26 -0.55 8.40 7.72 1d6mA1 ALA 342 HA -0.18 0.07 0.43 -0.75 4.34 3.90 1d6mA1 ALA 342 HB3 -0.01 0.03 0.05 -0.04 1.41 1.43 1d6mA1 GLY 343 H -0.08 0.59 -0.30 -0.55 8.43 8.10 1d6mA1 GLY 343 HA2 -0.05 0.04 0.57 -0.51 4.01 4.06 1d6mA1 GLY 343 HA3 -0.06 0.01 0.30 -0.51 4.01 3.76 1d6mA1 ARG 344 H -0.32 0.48 -0.40 -0.55 8.46 7.67 1d6mA1 ARG 344 HA 0.09 0.01 0.30 -0.75 4.34 4.00 1d6mA1 ARG 344 HB2 -0.25 -0.00 0.06 -0.04 1.90 1.66 1d6mA1 ARG 344 HB3 -0.59 0.40 0.20 -0.04 1.80 1.77 1d6mA1 ARG 344 HG2 -1.29 -0.15 0.00 -0.04 1.67 0.19 1d6mA1 ARG 344 HG3 -0.89 -0.05 -0.16 -0.04 1.67 0.52 1d6mA1 ARG 344 HD2 -0.60 0.22 0.11 -0.04 3.22 2.90 1d6mA1 ARG 344 HD3 -0.86 -0.03 0.07 -0.04 3.22 2.36 1d6mA1 HIS 345 H -0.41 0.18 -0.20 -0.55 8.41 7.43 1d6mA1 HIS 345 HA -0.10 0.12 0.44 -0.75 4.63 4.33 1d6mA1 HIS 345 HB2 -0.08 -0.02 0.09 -0.04 3.26 3.21 1d6mA1 HIS 345 HB3 -0.07 0.02 0.03 -0.04 3.20 3.13 1d6mA1 HIS 345 HD2 -0.14 0.04 -0.04 -0.04 6.97 6.78 1d6mA1 HIS 345 HE1 -0.14 0.01 -0.01 -0.04 7.75 7.56 1d6mA1 ALA 346 H 0.03 0.11 -0.17 -0.55 8.40 7.82 1d6mA1 ALA 346 HA 0.02 0.03 0.31 -0.75 4.34 3.95 1d6mA1 ALA 346 HB3 0.01 0.02 0.10 -0.04 1.41 1.49 1d6mA1 VAL 347 H 0.01 0.58 -0.20 -0.55 8.24 8.08 1d6mA1 VAL 347 HA 0.01 0.09 0.05 -0.75 4.13 3.53 1d6mA1 VAL 347 HB 0.07 0.08 -0.01 -0.04 2.12 2.22 1d6mA1 VAL 347 HG13 -0.38 -0.00 -0.26 -0.04 0.97 0.29 1d6mA1 VAL 347 HG23 -0.02 0.02 -0.17 -0.04 0.95 0.75 1d6mA1 MET 348 H 0.04 0.66 -0.15 -0.55 8.47 8.47 1d6mA1 MET 348 HA 0.09 -0.02 0.31 -0.75 4.52 4.14 1d6mA1 MET 348 HB2 -0.02 0.08 0.20 -0.04 2.15 2.37 1d6mA1 MET 348 HB3 0.01 -0.04 -0.04 -0.04 2.03 1.92 1d6mA1 MET 348 HG2 -0.02 -0.00 -0.02 -0.04 2.63 2.55 1d6mA1 MET 348 HG3 0.00 -0.02 -0.01 -0.04 2.56 2.48 1d6mA1 MET 348 HE3 -1.17 -0.00 -0.10 -0.04 2.10 0.79 1d6mA1 ASN 349 H 0.03 0.71 -0.16 -0.55 8.53 8.56 1d6mA1 ASN 349 HA 0.01 -0.01 0.38 -0.75 4.76 4.39 1d6mA1 ASN 349 HB2 0.01 -0.02 0.04 -0.04 2.88 2.87 1d6mA1 ASN 349 HB3 0.01 0.07 0.12 -0.04 2.79 2.95 1d6mA1 ASN 349 HD21 -0.02 -0.04 0.00 -0.04 7.03 6.93 1d6mA1 ASN 349 HD22 -0.01 0.02 0.06 -0.04 7.74 7.77 1d6mA1 ALA 350 H 0.04 0.56 -0.13 -0.55 8.40 8.33 1d6mA1 ALA 350 HA -0.03 -0.04 0.41 -0.75 4.34 3.93 1d6mA1 ALA 350 HB3 0.14 0.07 -0.02 -0.04 1.41 1.56 1d6mA1 ILE 351 H 0.10 0.60 -0.12 -0.55 8.25 8.28 1d6mA1 ILE 351 HA 0.29 -0.06 0.30 -0.75 4.18 3.96 1d6mA1 ILE 351 HB 0.10 0.16 0.12 -0.04 1.89 2.24 1d6mA1 ILE 351 HG12 0.07 -0.11 0.00 -0.04 1.49 1.40 1d6mA1 ILE 351 HG13 0.09 0.24 0.04 -0.04 1.21 1.55 1d6mA1 ILE 351 HG23 0.13 -0.02 -0.12 -0.04 0.93 0.88 1d6mA1 ILE 351 HD13 0.12 -0.02 -0.15 -0.04 0.88 0.78 1d6mA1 SER 352 H 0.04 0.54 -0.25 -0.55 8.46 8.25 1d6mA1 SER 352 HA 0.03 -0.03 0.31 -0.75 4.49 4.05 1d6mA1 SER 352 HB2 0.00 -0.10 0.04 -0.04 3.95 3.85 1d6mA1 SER 352 HB3 0.02 0.05 0.06 -0.04 3.93 4.02 1d6mA1 VAL 353 H -0.10 0.35 -0.24 -0.55 8.24 7.70 1d6mA1 VAL 353 HA -0.13 -0.02 0.53 -0.75 4.13 3.77 1d6mA1 VAL 353 HB -0.73 0.14 0.16 -0.04 2.12 1.66 1d6mA1 VAL 353 HG13 -0.34 0.03 -0.15 -0.04 0.97 0.48 1d6mA1 VAL 353 HG23 -0.15 0.06 0.11 -0.04 0.95 0.94 1d6mA1 HIS 354 H -0.23 0.64 0.01 -0.55 8.41 8.29 1d6mA1 HIS 354 HA -0.10 0.08 0.68 -0.75 4.63 4.54 1d6mA1 HIS 354 HB2 -0.19 0.05 -0.02 -0.04 3.26 3.06 1d6mA1 HIS 354 HB3 -0.57 -0.12 0.06 -0.04 3.20 2.52 1d6mA1 HIS 354 HD2 0.02 0.01 -0.09 -0.04 6.97 6.86 1d6mA1 HIS 354 HE1 -0.08 0.25 -0.49 -0.04 7.75 7.39 1d6mA1 ALA 355 H 0.12 0.70 -0.32 -0.55 8.40 8.35 1d6mA1 ALA 355 HA 0.13 0.05 0.71 -0.75 4.34 4.48 1d6mA1 ALA 355 HB3 0.29 0.00 -0.01 -0.04 1.41 1.65 1d6mA1 PRO 356 HA 0.03 0.19 0.49 -0.51 4.44 4.65 1d6mA1 PRO 356 HB2 0.01 -0.06 0.11 -0.04 2.28 2.31 1d6mA1 PRO 356 HB3 -0.00 0.27 0.14 -0.04 2.02 2.39 1d6mA1 PRO 356 HG2 0.02 -0.06 0.02 -0.04 2.03 1.97 1d6mA1 PRO 356 HG3 0.00 0.06 0.04 -0.04 2.03 2.09 1d6mA1 PRO 356 HD2 0.05 0.03 0.05 -0.04 3.68 3.77 1d6mA1 PRO 356 HD3 0.03 0.27 -0.40 -0.04 3.65 3.51 1d6mA1 ASP 357 H 0.05 0.11 -0.31 -0.55 8.40 7.71 1d6mA1 ASP 357 HA 0.04 0.09 0.47 -0.75 4.63 4.47 1d6mA1 ASP 357 HB2 0.06 -0.03 -0.05 -0.04 2.71 2.66 1d6mA1 ASP 357 HB3 0.06 0.04 -0.06 -0.04 2.70 2.70 1d6mA1 LEU 358 H 0.06 0.25 -0.40 -0.55 8.37 7.73 1d6mA1 LEU 358 HA 0.06 0.19 0.90 -0.75 4.35 4.76 1d6mA1 LEU 358 HB2 0.09 0.33 0.01 -0.04 1.64 2.03 1d6mA1 LEU 358 HB3 0.08 0.02 -0.32 -0.04 1.64 1.39 1d6mA1 LEU 358 HG 0.10 -0.12 -0.13 -0.04 1.64 1.44 1d6mA1 LEU 358 HD13 0.10 0.01 -0.11 -0.04 0.93 0.89 1d6mA1 LEU 358 HD23 0.09 0.01 -0.05 -0.04 0.89 0.90 1d6mA1 LEU 359 H 0.05 0.13 -0.04 -0.55 8.37 7.97 1d6mA1 LEU 359 HA 0.05 0.47 1.67 -0.75 4.35 5.78 1d6mA1 LEU 359 HB2 0.06 0.00 -0.16 -0.04 1.64 1.50 1d6mA1 LEU 359 HB3 0.04 -0.01 0.02 -0.04 1.64 1.64 1d6mA1 LEU 359 HG 0.03 -0.01 -0.02 -0.04 1.64 1.60 1d6mA1 LEU 359 HD13 0.05 0.02 0.00 -0.04 0.93 0.96 1d6mA1 LEU 359 HD23 0.07 0.03 -0.01 -0.04 0.89 0.94 1d6mA1 PRO 360 HA 0.01 0.03 0.36 -0.51 4.44 4.34 1d6mA1 PRO 360 HB2 0.02 -0.03 0.08 -0.04 2.28 2.30 1d6mA1 PRO 360 HB3 0.01 -0.00 0.08 -0.04 2.02 2.07 1d6mA1 PRO 360 HG2 0.02 0.05 0.06 -0.04 2.03 2.12 1d6mA1 PRO 360 HG3 0.01 0.02 0.09 -0.04 2.03 2.11 1d6mA1 PRO 360 HD2 0.03 0.09 -0.12 -0.04 3.68 3.64 1d6mA1 PRO 360 HD3 0.02 0.10 0.17 -0.04 3.65 3.90 1d6mA1 GLN 361 H 0.03 0.04 -0.26 -0.55 8.47 7.72 1d6mA1 GLN 361 HA 0.02 -0.05 0.30 -0.75 4.36 3.88 1d6mA1 GLN 361 HB2 0.04 0.08 -0.12 -0.04 2.15 2.12 1d6mA1 GLN 361 HB3 0.04 0.17 -0.11 -0.04 2.02 2.08 1d6mA1 GLN 361 HG2 0.05 0.08 -0.10 -0.04 2.40 2.40 1d6mA1 GLN 361 HG3 0.05 -0.27 -0.26 -0.04 2.39 1.87 1d6mA1 GLN 361 HE21 0.02 -0.03 -0.07 -0.04 6.97 6.85 1d6mA1 GLN 361 HE22 0.03 0.11 -0.09 -0.04 7.69 7.71 1d6mA1 PRO 362 HA 0.02 0.21 0.19 -0.51 4.44 4.35 1d6mA1 PRO 362 HB2 0.01 0.00 -0.02 -0.04 2.28 2.24 1d6mA1 PRO 362 HB3 0.01 0.01 0.08 -0.04 2.02 2.08 1d6mA1 PRO 362 HG2 0.01 0.00 0.04 -0.04 2.03 2.04 1d6mA1 PRO 362 HG3 0.01 0.01 0.03 -0.04 2.03 2.03 1d6mA1 PRO 362 HD2 0.02 0.06 0.12 -0.04 3.68 3.83 1d6mA1 PRO 362 HD3 0.01 0.10 0.01 -0.04 3.65 3.73 1d6mA1 VAL 363 H 0.03 0.05 -0.22 -0.55 8.24 7.55 1d6mA1 VAL 363 HA 0.03 0.05 0.46 -0.75 4.13 3.92 1d6mA1 VAL 363 HB 0.04 0.04 -0.02 -0.04 2.12 2.14 1d6mA1 VAL 363 HG13 0.05 0.00 -0.07 -0.04 0.97 0.91 1d6mA1 VAL 363 HG23 0.01 -0.02 -0.03 -0.04 0.95 0.87 1d6mA1 VAL 364 H 0.05 0.20 -0.14 -0.55 8.24 7.80 1d6mA1 VAL 364 HA 0.12 0.08 0.31 -0.75 4.13 3.89 1d6mA1 VAL 364 HB 0.04 0.16 0.11 -0.04 2.12 2.38 1d6mA1 VAL 364 HG13 0.02 -0.03 -0.19 -0.04 0.97 0.74 1d6mA1 VAL 364 HG23 0.09 -0.02 -0.05 -0.04 0.95 0.93 1d6mA1 ASP 365 H 0.15 0.94 0.45 -0.55 8.40 9.39 1d6mA1 ASP 365 HA 0.06 0.16 0.88 -0.75 4.63 4.98 1d6mA1 ASP 365 HB2 0.07 0.10 0.02 -0.04 2.71 2.87 1d6mA1 ASP 365 HB3 0.12 0.07 0.25 -0.04 2.70 3.10 1d6mA1 PRO 366 HA -0.21 0.10 0.23 -0.51 4.44 4.05 1d6mA1 PRO 366 HB2 0.08 -0.03 -0.00 -0.04 2.28 2.29 1d6mA1 PRO 366 HB3 0.00 -0.01 0.03 -0.04 2.02 2.00 1d6mA1 PRO 366 HG2 0.03 0.00 0.06 -0.04 2.03 2.08 1d6mA1 PRO 366 HG3 -0.03 0.07 0.02 -0.04 2.03 2.05 1d6mA1 PRO 366 HD2 0.03 0.06 0.22 -0.04 3.68 3.95 1d6mA1 PRO 366 HD3 0.01 0.38 0.03 -0.04 3.65 4.03 1d6mA1 ASP 367 H 0.11 0.06 -0.22 -0.55 8.40 7.80 1d6mA1 ASP 367 HA 0.22 0.15 0.62 -0.75 4.63 4.87 1d6mA1 ASP 367 HB2 0.09 -0.00 0.02 -0.04 2.71 2.78 1d6mA1 ASP 367 HB3 0.10 -0.03 0.12 -0.04 2.70 2.85 1d6mA1 ILE 368 H 0.23 0.48 -0.15 -0.55 8.25 8.26 1d6mA1 ILE 368 HA 0.09 -0.02 0.48 -0.75 4.18 3.97 1d6mA1 ILE 368 HB 0.18 0.12 0.12 -0.04 1.89 2.28 1d6mA1 ILE 368 HG12 0.08 -0.08 -0.03 -0.04 1.49 1.42 1d6mA1 ILE 368 HG13 0.13 0.01 0.06 -0.04 1.21 1.37 1d6mA1 ILE 368 HG23 0.05 -0.05 -0.16 -0.04 0.93 0.74 1d6mA1 ILE 368 HD13 0.10 0.04 -0.21 -0.04 0.88 0.76 1d6mA1 ARG 369 H -0.02 0.11 0.12 -0.55 8.46 8.11 1d6mA1 ARG 369 HA -0.19 0.21 0.96 -0.75 4.34 4.57 1d6mA1 ARG 369 HB2 -0.67 0.07 -0.05 -0.04 1.90 1.21 1d6mA1 ARG 369 HB3 -0.33 -0.06 0.25 -0.04 1.80 1.62 1d6mA1 ARG 369 HG2 -0.58 0.07 0.03 -0.04 1.67 1.15 1d6mA1 ARG 369 HG3 -2.53 0.01 0.06 -0.04 1.67 -0.84 1d6mA1 ARG 369 HD2 -1.12 -0.05 0.03 -0.04 3.22 2.04 1d6mA1 ARG 369 HD3 -0.52 -0.01 0.06 -0.04 3.22 2.70 1d6mA1 ASN 370 H 0.10 0.33 -0.06 -0.55 8.53 8.35 1d6mA1 ASN 370 HA 0.01 0.06 0.37 -0.75 4.76 4.45 1d6mA1 ASN 370 HB2 -0.05 -0.08 0.19 -0.04 2.88 2.90 1d6mA1 ASN 370 HB3 -0.02 0.18 0.12 -0.04 2.79 3.03 1d6mA1 ASN 370 HD21 -0.28 -0.01 0.07 -0.04 7.03 6.77 1d6mA1 ASN 370 HD22 -0.15 0.07 0.09 -0.04 7.74 7.70 1d6mA1 ARG 371 H -0.05 0.13 0.14 -0.55 8.46 8.13 1d6mA1 ARG 371 HA 0.03 0.15 0.33 -0.75 4.34 4.10 1d6mA1 ARG 371 HB2 0.03 0.00 0.05 -0.04 1.90 1.94 1d6mA1 ARG 371 HB3 -0.02 -0.02 0.10 -0.04 1.80 1.82 1d6mA1 ARG 371 HG2 -0.11 0.01 0.02 -0.04 1.67 1.55 1d6mA1 ARG 371 HG3 -0.14 0.04 -0.26 -0.04 1.67 1.27 1d6mA1 ARG 371 HD2 -0.04 -0.01 -0.11 -0.04 3.22 3.02 1d6mA1 ARG 371 HD3 -0.00 -0.03 -0.04 -0.04 3.22 3.12 1d6mA1 CYS 372 H -0.27 0.08 -0.18 -0.55 8.50 7.58 1d6mA1 CYS 372 HA -0.17 0.07 0.49 -0.75 4.58 4.23 1d6mA1 CYS 372 HB2 -0.57 0.04 0.13 -0.04 2.97 2.53 1d6mA1 CYS 372 HB3 -0.50 0.03 0.10 -0.04 2.97 2.56 1d6mA1 TRP 373 H -0.47 0.16 -0.23 -0.55 7.97 6.88 1d6mA1 TRP 373 HA 0.02 0.08 0.30 -0.75 4.62 4.26 1d6mA1 TRP 373 HB2 -0.10 0.08 0.10 -0.04 3.23 3.27 1d6mA1 TRP 373 HB3 -0.00 -0.05 0.00 -0.04 3.23 3.13 1d6mA1 TRP 373 HD1 -0.18 0.31 -0.16 -0.04 7.22 7.14 1d6mA1 TRP 373 HE1 -0.27 0.10 0.00 -0.04 10.20 10.00 1d6mA1 TRP 373 HE3 0.14 0.14 -0.16 -0.04 7.59 7.67 1d6mA1 TRP 373 HZ2 -0.36 0.11 -0.08 -0.04 7.44 7.07 1d6mA1 TRP 373 HZ3 0.28 -0.08 -0.26 -0.04 7.13 7.02 1d6mA1 TRP 373 HH2 0.39 0.03 -0.17 -0.04 7.19 7.39 1d6mA1 ASP 374 H 0.11 0.61 0.25 -0.55 8.40 8.82 1d6mA1 ASP 374 HA 0.05 -0.00 0.46 -0.75 4.63 4.39 1d6mA1 ASP 374 HB2 0.05 0.36 -0.43 -0.04 2.71 2.65 1d6mA1 ASP 374 HB3 -0.05 -0.06 0.09 -0.04 2.70 2.65 1d6mA1 ASP 375 H 0.04 0.17 0.14 -0.55 8.40 8.20 1d6mA1 ASP 375 HA 0.02 0.03 0.29 -0.75 4.63 4.22 1d6mA1 ASP 375 HB2 0.01 0.02 0.19 -0.04 2.71 2.89 1d6mA1 ASP 375 HB3 0.01 0.12 0.10 -0.04 2.70 2.89 1d6mA1 LYS 376 H -0.04 0.05 -0.20 -0.55 8.42 7.68 1d6mA1 LYS 376 HA -0.05 0.12 0.47 -0.75 4.32 4.10 1d6mA1 LYS 376 HB2 -0.08 -0.01 0.02 -0.04 1.87 1.76 1d6mA1 LYS 376 HB3 -0.08 0.04 0.03 -0.04 1.79 1.74 1d6mA1 LYS 376 HG2 -0.04 0.03 0.05 -0.04 1.46 1.45 1d6mA1 LYS 376 HG3 -0.03 -0.05 0.02 -0.04 1.46 1.36 1d6mA1 LYS 376 HD2 -0.03 -0.04 0.03 -0.04 1.69 1.61 1d6mA1 LYS 376 HD3 -0.05 0.03 0.01 -0.04 1.68 1.64 1d6mA1 LYS 376 HE2 -0.03 0.02 0.01 -0.04 2.99 2.94 1d6mA1 LYS 376 HE3 -0.03 0.01 0.02 -0.04 2.99 2.94 1d6mA1 LYS 377 H -0.12 0.51 -0.21 -0.55 8.42 8.06 1d6mA1 LYS 377 HA -0.17 0.19 0.92 -0.75 4.32 4.50 1d6mA1 LYS 377 HB2 -0.48 0.09 0.09 -0.04 1.87 1.53 1d6mA1 LYS 377 HB3 -0.65 -0.10 0.18 -0.04 1.79 1.18 1d6mA1 LYS 377 HG2 -0.40 -0.01 0.02 -0.04 1.46 1.03 1d6mA1 LYS 377 HG3 -0.30 -0.04 -0.23 -0.04 1.46 0.85 1d6mA1 LYS 377 HD2 -0.60 0.05 -0.01 -0.04 1.69 1.08 1d6mA1 LYS 377 HD3 -1.87 -0.02 0.01 -0.04 1.68 -0.25 1d6mA1 LYS 377 HE2 -0.25 -0.00 -0.03 -0.04 2.99 2.67 1d6mA1 LYS 377 HE3 -0.22 0.02 -0.02 -0.04 2.99 2.72 1d6mA1 VAL 378 H -0.06 0.46 -0.18 -0.55 8.24 7.91 1d6mA1 VAL 378 HA -0.06 0.15 0.98 -0.75 4.13 4.44 1d6mA1 VAL 378 HB -0.02 -0.00 -0.20 -0.04 2.12 1.86 1d6mA1 VAL 378 HG13 0.03 -0.02 -0.40 -0.04 0.97 0.53 1d6mA1 VAL 378 HG23 0.01 0.01 -0.25 -0.04 0.95 0.67 1d6mA1 ASP 379 H -0.12 0.06 0.09 -0.55 8.40 7.88 1d6mA1 ASP 379 HA -0.01 0.29 0.98 -0.75 4.63 5.14 1d6mA1 ASP 379 HB2 -0.04 0.08 -0.10 -0.04 2.71 2.60 1d6mA1 ASP 379 HB3 -0.02 -0.20 0.20 -0.04 2.70 2.63 1d6mA1 ALA 380 H -0.01 0.05 0.21 -0.55 8.40 8.11 1d6mA1 ALA 380 HA 0.13 0.18 0.70 -0.75 4.34 4.59 1d6mA1 ALA 380 HB3 0.19 -0.02 0.10 -0.04 1.41 1.63 1d6mA1 HIS 381 H -0.33 0.03 0.15 -0.55 8.41 7.72 1d6mA1 HIS 381 HA -0.07 0.17 0.60 -0.75 4.63 4.58 1d6mA1 HIS 381 HB2 -0.08 0.05 0.08 -0.04 3.26 3.27 1d6mA1 HIS 381 HB3 -0.15 0.14 -0.10 -0.04 3.20 3.05 1d6mA1 HIS 381 HD2 -0.03 0.32 0.08 -0.04 6.97 7.29 1d6mA1 HIS 381 HE1 0.03 -0.36 0.18 -0.04 7.75 7.55 1d6mA1 HIS 382 H -0.43 0.17 0.09 -0.55 8.41 7.70 1d6mA1 HIS 382 HA -0.05 0.13 0.75 -0.75 4.63 4.70 1d6mA1 HIS 382 HB2 -0.07 0.12 0.25 -0.04 3.26 3.52 1d6mA1 HIS 382 HB3 -0.08 -0.07 -0.11 -0.04 3.20 2.90 1d6mA1 HIS 382 HD2 0.02 0.50 -0.13 -0.04 6.97 7.31 1d6mA1 HIS 382 HE1 0.19 -0.05 -0.05 -0.04 7.75 7.80 1d6mA1 ALA 383 H 0.15 0.37 0.01 -0.55 8.40 8.37 1d6mA1 ALA 383 HA 0.06 0.21 0.24 -0.75 4.34 4.10 1d6mA1 ALA 383 HB3 -0.01 -0.02 -0.35 -0.04 1.41 0.99 1d6mA1 ILE 384 H 0.06 0.65 0.18 -0.55 8.25 8.60 1d6mA1 ILE 384 HA 0.03 0.05 0.39 -0.75 4.18 3.90 1d6mA1 ILE 384 HB 0.07 0.01 0.03 -0.04 1.89 1.96 1d6mA1 ILE 384 HG12 -0.10 0.06 -0.11 -0.04 1.49 1.31 1d6mA1 ILE 384 HG13 -0.04 0.03 -0.01 -0.04 1.21 1.15 1d6mA1 ILE 384 HG23 0.02 -0.01 -0.16 -0.04 0.93 0.74 1d6mA1 ILE 384 HD13 -0.07 -0.03 -0.16 -0.04 0.88 0.58 1d6mA1 ILE 385 H 0.12 0.17 0.24 -0.55 8.25 8.22 1d6mA1 ILE 385 HA 0.00 0.22 0.73 -0.75 4.18 4.38 1d6mA1 ILE 385 HB -0.21 0.06 0.05 -0.04 1.89 1.75 1d6mA1 ILE 385 HG12 0.21 0.06 -0.05 -0.04 1.49 1.67 1d6mA1 ILE 385 HG13 0.11 0.01 -0.15 -0.04 1.21 1.14 1d6mA1 ILE 385 HG23 0.13 -0.01 -0.30 -0.04 0.93 0.71 1d6mA1 ILE 385 HD13 0.11 -0.02 -0.10 -0.04 0.88 0.83 1d6mA1 PRO 386 HA 0.03 0.13 0.40 -0.51 4.44 4.49 1d6mA1 PRO 386 HB2 -0.08 0.11 -0.06 -0.04 2.28 2.20 1d6mA1 PRO 386 HB3 -0.00 0.08 0.07 -0.04 2.02 2.13 1d6mA1 PRO 386 HG2 -0.18 0.07 0.00 -0.04 2.03 1.88 1d6mA1 PRO 386 HG3 -0.32 0.02 -0.07 -0.04 2.03 1.61 1d6mA1 PRO 386 HD2 -0.51 0.10 0.09 -0.04 3.68 3.32 1d6mA1 PRO 386 HD3 -0.12 0.19 0.03 -0.04 3.65 3.71 1d6mA1 THR 387 H 0.12 0.21 -0.07 -0.55 8.28 8.00 1d6mA1 THR 387 HA 0.05 0.19 0.76 -0.75 4.39 4.64 1d6mA1 THR 387 HB 0.08 -0.02 0.03 -0.04 4.32 4.36 1d6mA1 THR 387 HG23 0.07 -0.09 0.10 -0.04 1.22 1.26 1d6mA1 ALA 388 H 0.04 0.08 0.08 -0.55 8.40 8.05 1d6mA1 ALA 388 HA 0.05 0.29 0.38 -0.75 4.34 4.30 1d6mA1 ALA 388 HB3 0.02 -0.02 -0.01 -0.04 1.41 1.37 1d6mA1 ARG 389 H 0.07 0.01 -0.23 -0.55 8.46 7.77 1d6mA1 ARG 389 HA 0.06 -0.05 0.39 -0.75 4.34 3.98 1d6mA1 ARG 389 HB2 0.04 0.02 0.12 -0.04 1.90 2.04 1d6mA1 ARG 389 HB3 0.05 0.03 0.04 -0.04 1.80 1.88 1d6mA1 ARG 389 HG2 -0.00 0.16 -0.10 -0.04 1.67 1.70 1d6mA1 ARG 389 HG3 0.07 -0.16 -0.13 -0.04 1.67 1.42 1d6mA1 ARG 389 HD2 0.02 -0.09 0.04 -0.04 3.22 3.15 1d6mA1 ARG 389 HD3 0.02 -0.09 0.06 -0.04 3.22 3.17 1d6mA1 SER 390 H 0.06 -0.01 0.24 -0.55 8.46 8.21 1d6mA1 SER 390 HA 0.03 0.23 0.75 -0.75 4.49 4.74 1d6mA1 SER 390 HB2 -0.02 -0.03 -0.02 -0.04 3.95 3.83 1d6mA1 SER 390 HB3 -0.01 0.06 -0.06 -0.04 3.93 3.89 1d6mA1 SER 391 H 0.07 -0.08 0.04 -0.55 8.46 7.94 1d6mA1 SER 391 HA 0.02 -0.03 0.36 -0.75 4.49 4.09 1d6mA1 SER 391 HB2 0.04 0.10 -0.06 -0.04 3.95 3.99 1d6mA1 SER 391 HB3 0.02 0.01 0.03 -0.04 3.93 3.95 1d6mA1 ALA 392 H 0.00 0.03 0.16 -0.55 8.40 8.05 1d6mA1 ALA 392 HA 0.02 0.08 0.30 -0.75 4.34 3.99 1d6mA1 ALA 392 HB3 -0.01 -0.01 0.11 -0.04 1.41 1.46 1d6mA1 ILE 393 H 0.06 0.25 0.20 -0.55 8.25 8.21 1d6mA1 ILE 393 HA -0.04 0.08 0.66 -0.75 4.18 4.12 1d6mA1 ILE 393 HB -0.21 0.01 0.02 -0.04 1.89 1.68 1d6mA1 ILE 393 HG12 -0.03 -0.10 0.04 -0.04 1.49 1.37 1d6mA1 ILE 393 HG13 -0.01 0.28 -0.29 -0.04 1.21 1.15 1d6mA1 ILE 393 HG23 -0.44 -0.05 -0.21 -0.04 0.93 0.20 1d6mA1 ILE 393 HD13 -0.11 -0.03 -0.05 -0.04 0.88 0.64 1d6mA1 ASN 394 H -0.08 0.15 0.08 -0.55 8.53 8.14 1d6mA1 ASN 394 HA -0.07 0.17 0.75 -0.75 4.76 4.85 1d6mA1 ASN 394 HB2 -0.03 -0.02 0.13 -0.04 2.88 2.92 1d6mA1 ASN 394 HB3 -0.04 -0.02 -0.06 -0.04 2.79 2.63 1d6mA1 ASN 394 HD21 -0.01 0.02 -0.05 -0.04 7.03 6.95 1d6mA1 ASN 394 HD22 -0.01 -0.01 -0.01 -0.04 7.74 7.67 1d6mA1 LEU 395 H -0.10 0.27 0.16 -0.55 8.37 8.16 1d6mA1 LEU 395 HA -0.13 0.18 1.05 -0.75 4.35 4.70 1d6mA1 LEU 395 HB2 -0.11 0.02 -0.01 -0.04 1.64 1.50 1d6mA1 LEU 395 HB3 -0.12 -0.12 -0.03 -0.04 1.64 1.34 1d6mA1 LEU 395 HG -0.27 0.09 -0.26 -0.04 1.64 1.16 1d6mA1 LEU 395 HD13 -0.29 0.03 -0.14 -0.04 0.93 0.48 1d6mA1 LEU 395 HD23 -0.57 0.03 -0.22 -0.04 0.89 0.09 1d6mA1 THR 396 H -0.02 0.11 0.13 -0.55 8.28 7.96 1d6mA1 THR 396 HA -0.03 0.16 0.43 -0.75 4.39 4.21 1d6mA1 THR 396 HB -0.02 0.01 0.14 -0.04 4.32 4.41 1d6mA1 THR 396 HG23 -0.00 0.04 0.06 -0.04 1.22 1.28 1d6mA1 GLU 397 H -0.04 0.18 0.19 -0.55 8.60 8.38 1d6mA1 GLU 397 HA -0.06 0.13 0.32 -0.75 4.29 3.93 1d6mA1 GLU 397 HB2 -0.04 0.08 0.16 -0.04 2.09 2.24 1d6mA1 GLU 397 HB3 -0.05 -0.05 0.17 -0.04 1.99 2.03 1d6mA1 GLU 397 HG2 -0.11 -0.01 -0.24 -0.04 2.34 1.93 1d6mA1 GLU 397 HG3 -0.09 0.03 0.03 -0.04 2.34 2.27 1d6mA1 ASN 398 H -0.06 0.06 -0.16 -0.55 8.53 7.82 1d6mA1 ASN 398 HA -0.17 0.12 0.55 -0.75 4.76 4.51 1d6mA1 ASN 398 HB2 -0.05 -0.05 0.05 -0.04 2.88 2.79 1d6mA1 ASN 398 HB3 -0.06 0.02 -0.07 -0.04 2.79 2.64 1d6mA1 ASN 398 HD21 -0.04 0.08 -0.02 -0.04 7.03 7.01 1d6mA1 ASN 398 HD22 -0.04 -0.04 -0.03 -0.04 7.74 7.58 1d6mA1 GLU 399 H -0.04 0.11 -0.22 -0.55 8.60 7.91 1d6mA1 GLU 399 HA 0.01 0.01 0.33 -0.75 4.29 3.89 1d6mA1 GLU 399 HB2 -0.03 0.07 0.08 -0.04 2.09 2.17 1d6mA1 GLU 399 HB3 -0.00 0.08 -0.02 -0.04 1.99 2.00 1d6mA1 GLU 399 HG2 0.05 0.03 0.03 -0.04 2.34 2.40 1d6mA1 GLU 399 HG3 0.01 -0.10 0.04 -0.04 2.34 2.25 1d6mA1 ALA 400 H -0.04 0.45 -0.23 -0.55 8.40 8.03 1d6mA1 ALA 400 HA 0.05 0.08 0.45 -0.75 4.34 4.17 1d6mA1 ALA 400 HB3 -0.02 0.04 0.06 -0.04 1.41 1.45 1d6mA1 LYS 401 H -0.13 0.55 -0.05 -0.55 8.42 8.23 1d6mA1 LYS 401 HA -0.13 -0.01 0.26 -0.75 4.32 3.69 1d6mA1 LYS 401 HB2 -0.36 0.02 0.19 -0.04 1.87 1.68 1d6mA1 LYS 401 HB3 -1.23 -0.03 0.06 -0.04 1.79 0.55 1d6mA1 LYS 401 HG2 -0.34 0.40 0.19 -0.04 1.46 1.67 1d6mA1 LYS 401 HG3 -0.64 -0.09 0.04 -0.04 1.46 0.72 1d6mA1 LYS 401 HD2 -1.66 0.00 0.03 -0.04 1.69 0.02 1d6mA1 LYS 401 HD3 -0.38 0.00 0.03 -0.04 1.68 1.30 1d6mA1 LYS 401 HE2 -0.36 0.04 0.01 -0.04 2.99 2.64 1d6mA1 LYS 401 HE3 -0.20 -0.02 -0.01 -0.04 2.99 2.73 1d6mA1 VAL 402 H -0.02 0.56 -0.07 -0.55 8.24 8.16 1d6mA1 VAL 402 HA 0.09 -0.06 0.29 -0.75 4.13 3.69 1d6mA1 VAL 402 HB 0.04 0.08 0.07 -0.04 2.12 2.26 1d6mA1 VAL 402 HG13 0.02 -0.01 -0.15 -0.04 0.97 0.79 1d6mA1 VAL 402 HG23 0.01 -0.00 0.00 -0.04 0.95 0.92 1d6mA1 TYR 403 H 0.17 0.76 -0.05 -0.55 8.29 8.62 1d6mA1 TYR 403 HA 0.05 -0.06 0.37 -0.75 4.56 4.16 1d6mA1 TYR 403 HB2 0.00 -0.03 0.07 -0.04 3.06 3.06 1d6mA1 TYR 403 HB3 0.02 0.05 0.16 -0.04 2.98 3.17 1d6mA1 TYR 403 HD2 0.03 -0.01 -0.15 -0.04 7.15 6.98 1d6mA1 TYR 403 HE2 0.05 0.21 -0.02 -0.04 6.85 7.05 1d6mA1 ASN 404 H 0.19 0.78 -0.04 -0.55 8.53 8.92 1d6mA1 ASN 404 HA 0.12 -0.02 0.34 -0.75 4.76 4.45 1d6mA1 ASN 404 HB2 0.13 0.13 0.05 -0.04 2.88 3.15 1d6mA1 ASN 404 HB3 0.17 -0.04 0.08 -0.04 2.79 2.97 1d6mA1 ASN 404 HD21 0.11 0.02 -0.09 -0.04 7.03 7.04 1d6mA1 ASN 404 HD22 0.14 -0.00 -0.11 -0.04 7.74 7.73 1d6mA1 LEU 405 H 0.17 0.44 -0.08 -0.55 8.37 8.35 1d6mA1 LEU 405 HA 0.23 -0.05 0.33 -0.75 4.35 4.10 1d6mA1 LEU 405 HB2 0.16 0.15 0.15 -0.04 1.64 2.06 1d6mA1 LEU 405 HB3 0.26 -0.06 0.01 -0.04 1.64 1.81 1d6mA1 LEU 405 HG 0.23 -0.03 -0.02 -0.04 1.64 1.78 1d6mA1 LEU 405 HD13 0.26 0.03 -0.04 -0.04 0.93 1.14 1d6mA1 LEU 405 HD23 0.08 -0.01 -0.15 -0.04 0.89 0.77 1d6mA1 ILE 406 H 0.08 0.51 -0.09 -0.55 8.25 8.20 1d6mA1 ILE 406 HA 0.23 -0.06 0.39 -0.75 4.18 3.99 1d6mA1 ILE 406 HB -0.14 0.10 0.13 -0.04 1.89 1.93 1d6mA1 ILE 406 HG12 0.08 -0.04 -0.08 -0.04 1.49 1.40 1d6mA1 ILE 406 HG13 0.12 -0.09 -0.00 -0.04 1.21 1.19 1d6mA1 ILE 406 HG23 -0.02 0.05 -0.28 -0.04 0.93 0.64 1d6mA1 ILE 406 HD13 0.03 0.02 -0.17 -0.04 0.88 0.72 1d6mA1 ALA 407 H -0.25 0.73 0.03 -0.55 8.40 8.37 1d6mA1 ALA 407 HA -0.06 -0.06 0.41 -0.75 4.34 3.87 1d6mA1 ALA 407 HB3 -0.15 0.00 0.07 -0.04 1.41 1.29 1d6mA1 ARG 408 H 0.06 0.93 0.02 -0.55 8.46 8.91 1d6mA1 ARG 408 HA 0.09 0.01 0.35 -0.75 4.34 4.03 1d6mA1 ARG 408 HB2 0.10 0.01 -0.02 -0.04 1.90 1.95 1d6mA1 ARG 408 HB3 0.09 -0.02 0.04 -0.04 1.80 1.88 1d6mA1 ARG 408 HG2 0.10 -0.06 -0.21 -0.04 1.67 1.47 1d6mA1 ARG 408 HG3 0.10 0.03 -0.02 -0.04 1.67 1.74 1d6mA1 ARG 408 HD2 0.11 0.27 -0.23 -0.04 3.22 3.33 1d6mA1 ARG 408 HD3 0.11 -0.05 -0.09 -0.04 3.22 3.15 1d6mA1 GLN 409 H -0.02 0.56 -0.06 -0.55 8.47 8.41 1d6mA1 GLN 409 HA -0.20 -0.02 0.31 -0.75 4.36 3.69 1d6mA1 GLN 409 HB2 -0.62 0.06 0.13 -0.04 2.15 1.69 1d6mA1 GLN 409 HB3 -0.32 0.07 0.11 -0.04 2.02 1.83 1d6mA1 GLN 409 HG2 -1.08 -0.27 0.07 -0.04 2.40 1.09 1d6mA1 GLN 409 HG3 -0.49 0.06 -0.19 -0.04 2.39 1.73 1d6mA1 GLN 409 HE21 -0.40 -0.14 -0.09 -0.04 6.97 6.31 1d6mA1 GLN 409 HE22 -0.52 0.73 -0.14 -0.04 7.69 7.72 1d6mA1 TYR 410 H 0.10 0.50 -0.17 -0.55 8.29 8.17 1d6mA1 TYR 410 HA -0.07 -0.05 0.41 -0.75 4.56 4.10 1d6mA1 TYR 410 HB2 0.00 -0.03 0.13 -0.04 3.06 3.12 1d6mA1 TYR 410 HB3 0.04 0.18 0.21 -0.04 2.98 3.37 1d6mA1 TYR 410 HD2 0.08 0.02 -0.09 -0.04 7.15 7.12 1d6mA1 TYR 410 HE2 0.24 -0.03 -0.12 -0.04 6.85 6.90 1d6mA1 LEU 411 H 0.20 0.66 -0.02 -0.55 8.37 8.67 1d6mA1 LEU 411 HA 0.24 -0.05 0.10 -0.75 4.35 3.88 1d6mA1 LEU 411 HB2 0.12 0.09 0.12 -0.04 1.64 1.93 1d6mA1 LEU 411 HB3 0.13 -0.06 -0.02 -0.04 1.64 1.66 1d6mA1 LEU 411 HG 0.19 0.14 -0.01 -0.04 1.64 1.91 1d6mA1 LEU 411 HD13 0.10 -0.01 -0.14 -0.04 0.93 0.83 1d6mA1 LEU 411 HD23 0.13 -0.02 -0.07 -0.04 0.89 0.89 1d6mA1 MET 412 H 0.04 0.66 -0.15 -0.55 8.47 8.48 1d6mA1 MET 412 HA 0.13 -0.08 0.33 -0.75 4.52 4.15 1d6mA1 MET 412 HB2 -0.14 0.32 0.17 -0.04 2.15 2.45 1d6mA1 MET 412 HB3 -0.15 -0.13 0.08 -0.04 2.03 1.79 1d6mA1 MET 412 HG2 0.32 -0.06 0.01 -0.04 2.63 2.86 1d6mA1 MET 412 HG3 0.10 0.16 -0.04 -0.04 2.56 2.74 1d6mA1 MET 412 HE3 0.29 -0.02 -0.17 -0.04 2.10 2.16 1d6mA1 GLN 413 H -0.18 0.48 -0.18 -0.55 8.47 8.04 1d6mA1 GLN 413 HA -0.24 -0.09 0.29 -0.75 4.36 3.56 1d6mA1 GLN 413 HB2 -0.46 0.47 0.10 -0.04 2.15 2.22 1d6mA1 GLN 413 HB3 -0.64 -0.12 -0.05 -0.04 2.02 1.17 1d6mA1 GLN 413 HG2 -0.47 -0.00 0.03 -0.04 2.40 1.92 1d6mA1 GLN 413 HG3 -0.56 -0.22 0.03 -0.04 2.39 1.61 1d6mA1 GLN 413 HE21 -0.35 0.28 -0.09 -0.04 6.97 6.77 1d6mA1 GLN 413 HE22 -0.29 0.18 -0.02 -0.04 7.69 7.53 1d6mA1 PHE 414 H 0.10 0.70 -0.42 -0.55 8.34 8.16 1d6mA1 PHE 414 HA 0.09 0.09 0.77 -0.75 4.62 4.81 1d6mA1 PHE 414 HB2 0.01 0.11 0.04 -0.04 3.15 3.27 1d6mA1 PHE 414 HB3 0.04 -0.08 0.04 -0.04 3.06 3.02 1d6mA1 PHE 414 HD2 -0.03 0.15 -0.04 -0.04 7.28 7.32 1d6mA1 PHE 414 HE2 -0.53 -0.01 -0.06 -0.04 7.38 6.73 1d6mA1 PHE 414 HZ 0.14 -0.10 -0.06 -0.04 7.32 7.26 1d6mA1 CYS 415 H 0.09 0.71 0.26 -0.55 8.50 9.02 1d6mA1 CYS 415 HA 0.12 0.27 1.04 -0.75 4.58 5.26 1d6mA1 CYS 415 HB2 0.22 -0.03 0.13 -0.04 2.97 3.24 1d6mA1 CYS 415 HB3 0.15 -0.11 -0.13 -0.04 2.97 2.83 1d6mA1 PRO 416 HA 0.08 0.02 0.43 -0.51 4.44 4.46 1d6mA1 PRO 416 HB2 0.05 0.11 -0.02 -0.04 2.28 2.37 1d6mA1 PRO 416 HB3 0.05 0.01 0.12 -0.04 2.02 2.15 1d6mA1 PRO 416 HG2 0.04 -0.10 0.08 -0.04 2.03 2.01 1d6mA1 PRO 416 HG3 0.04 0.06 0.10 -0.04 2.03 2.18 1d6mA1 PRO 416 HD2 0.09 0.19 0.27 -0.04 3.68 4.18 1d6mA1 PRO 416 HD3 0.08 0.19 0.21 -0.04 3.65 4.09 1d6mA1 ASP 417 H 0.09 0.05 0.15 -0.55 8.40 8.15 1d6mA1 ASP 417 HA 0.34 0.00 0.48 -0.75 4.63 4.69 1d6mA1 ASP 417 HB2 0.08 -0.03 -0.06 -0.04 2.71 2.66 1d6mA1 ASP 417 HB3 0.15 0.09 -0.28 -0.04 2.70 2.62 1d6mA1 ALA 418 H 0.29 0.58 0.38 -0.55 8.40 9.10 1d6mA1 ALA 418 HA -0.21 0.22 0.42 -0.75 4.34 4.02 1d6mA1 ALA 418 HB3 -0.44 -0.04 0.14 -0.04 1.41 1.03 1d6mA1 VAL 419 H -0.29 0.61 0.31 -0.55 8.24 8.33 1d6mA1 VAL 419 HA -0.05 0.25 1.09 -0.75 4.13 4.67 1d6mA1 VAL 419 HB -0.13 -0.14 0.12 -0.04 2.12 1.93 1d6mA1 VAL 419 HG13 -0.07 -0.00 -0.33 -0.04 0.97 0.53 1d6mA1 VAL 419 HG23 -0.03 0.04 -0.22 -0.04 0.95 0.70 1d6mA1 PHE 420 H 0.10 0.99 0.32 -0.55 8.34 9.20 1d6mA1 PHE 420 HA -0.16 0.12 0.90 -0.75 4.62 4.72 1d6mA1 PHE 420 HB2 -0.07 0.02 0.03 -0.04 3.15 3.10 1d6mA1 PHE 420 HB3 -0.10 0.02 -0.17 -0.04 3.06 2.76 1d6mA1 PHE 420 HD2 -0.05 -0.01 -0.29 -0.04 7.28 6.89 1d6mA1 PHE 420 HE2 -0.03 -0.01 -0.18 -0.04 7.38 7.11 1d6mA1 PHE 420 HZ -0.08 0.07 -0.08 -0.04 7.32 7.19 1d6mA1 ARG 421 H -0.36 0.59 0.31 -0.55 8.46 8.46 1d6mA1 ARG 421 HA -0.19 0.16 0.86 -0.75 4.34 4.42 1d6mA1 ARG 421 HB2 -0.44 -0.05 0.07 -0.04 1.90 1.44 1d6mA1 ARG 421 HB3 -1.43 0.11 0.22 -0.04 1.80 0.66 1d6mA1 ARG 421 HG2 -0.45 -0.01 -0.05 -0.04 1.67 1.12 1d6mA1 ARG 421 HG3 -0.28 0.03 -0.19 -0.04 1.67 1.18 1d6mA1 ARG 421 HD2 -0.09 0.05 -0.11 -0.04 3.22 3.03 1d6mA1 ARG 421 HD3 -0.13 -0.04 -0.05 -0.04 3.22 2.95 1d6mA1 LYS 422 H -0.09 0.71 0.37 -0.55 8.42 8.86 1d6mA1 LYS 422 HA -0.04 0.42 1.21 -0.75 4.32 5.16 1d6mA1 LYS 422 HB2 -0.03 -0.05 -0.08 -0.04 1.87 1.67 1d6mA1 LYS 422 HB3 -0.04 -0.08 0.09 -0.04 1.79 1.72 1d6mA1 LYS 422 HG2 -0.03 0.05 -0.16 -0.04 1.46 1.27 1d6mA1 LYS 422 HG3 -0.03 0.02 -0.06 -0.04 1.46 1.35 1d6mA1 LYS 422 HD2 -0.04 -0.02 -0.09 -0.04 1.69 1.50 1d6mA1 LYS 422 HD3 -0.04 -0.06 -0.15 -0.04 1.68 1.39 1d6mA1 LYS 422 HE2 -0.03 -0.01 -0.13 -0.04 2.99 2.78 1d6mA1 LYS 422 HE3 -0.03 0.03 -0.10 -0.04 2.99 2.85 1d6mA1 CYS 423 H -0.01 0.56 0.32 -0.55 8.50 8.82 1d6mA1 CYS 423 HA -0.16 0.24 1.11 -0.75 4.58 5.01 1d6mA1 CYS 423 HB2 -0.09 -0.04 0.02 -0.04 2.97 2.82 1d6mA1 CYS 423 HB3 0.00 -0.02 0.08 -0.04 2.97 2.99 1d6mA1 VAL 424 H -0.22 0.33 0.29 -0.55 8.24 8.09 1d6mA1 VAL 424 HA -0.06 0.40 1.30 -0.75 4.13 5.01 1d6mA1 VAL 424 HB -0.08 -0.09 0.11 -0.04 2.12 2.02 1d6mA1 VAL 424 HG13 -0.00 -0.01 -0.22 -0.04 0.97 0.70 1d6mA1 VAL 424 HG23 -0.05 0.00 -0.15 -0.04 0.95 0.71 1d6mA1 ILE 425 H -0.01 0.76 0.35 -0.55 8.25 8.81 1d6mA1 ILE 425 HA 0.04 0.18 1.05 -0.75 4.18 4.69 1d6mA1 ILE 425 HB 0.10 -0.02 0.10 -0.04 1.89 2.04 1d6mA1 ILE 425 HG12 0.10 -0.01 -0.12 -0.04 1.49 1.42 1d6mA1 ILE 425 HG13 -0.13 0.01 -0.17 -0.04 1.21 0.89 1d6mA1 ILE 425 HG23 0.19 -0.02 -0.23 -0.04 0.93 0.83 1d6mA1 ILE 425 HD13 -0.48 0.02 -0.12 -0.04 0.88 0.26 1d6mA1 GLU 426 H 0.09 0.52 0.26 -0.55 8.60 8.91 1d6mA1 GLU 426 HA 0.12 0.22 1.05 -0.75 4.29 4.93 1d6mA1 GLU 426 HB2 0.07 -0.11 0.17 -0.04 2.09 2.18 1d6mA1 GLU 426 HB3 0.09 0.09 0.02 -0.04 1.99 2.14 1d6mA1 GLU 426 HG2 0.06 0.03 -0.07 -0.04 2.34 2.32 1d6mA1 GLU 426 HG3 0.04 -0.03 -0.19 -0.04 2.34 2.12 1d6mA1 LEU 427 H 0.19 0.54 0.19 -0.55 8.37 8.73 1d6mA1 LEU 427 HA 0.11 0.25 0.89 -0.75 4.35 4.85 1d6mA1 LEU 427 HB2 0.08 -0.03 -0.23 -0.04 1.64 1.42 1d6mA1 LEU 427 HB3 0.07 -0.04 -0.26 -0.04 1.64 1.37 1d6mA1 LEU 427 HG 0.20 0.04 -0.31 -0.04 1.64 1.53 1d6mA1 LEU 427 HD13 -0.02 -0.00 -0.26 -0.04 0.93 0.60 1d6mA1 LEU 427 HD23 0.27 0.00 -0.38 -0.04 0.89 0.74 1d6mA1 ASP 428 H 0.08 0.48 0.15 -0.55 8.40 8.56 1d6mA1 ASP 428 HA 0.16 0.20 0.73 -0.75 4.63 4.96 1d6mA1 ASP 428 HB2 0.06 0.09 0.15 -0.04 2.71 2.98 1d6mA1 ASP 428 HB3 0.07 -0.06 -0.05 -0.04 2.70 2.61 1d6mA1 ILE 429 H 0.19 0.67 0.06 -0.55 8.25 8.61 1d6mA1 ILE 429 HA -0.04 0.31 0.96 -0.75 4.18 4.65 1d6mA1 ILE 429 HB -0.38 -0.02 0.04 -0.04 1.89 1.49 1d6mA1 ILE 429 HG12 -0.20 0.07 -0.10 -0.04 1.49 1.23 1d6mA1 ILE 429 HG13 -0.21 -0.15 -0.41 -0.04 1.21 0.39 1d6mA1 ILE 429 HG23 -0.19 0.08 -0.05 -0.04 0.93 0.73 1d6mA1 ILE 429 HD13 -0.80 -0.00 -0.18 -0.04 0.88 -0.14 1d6mA1 ALA 430 H -0.01 0.26 0.08 -0.55 8.40 8.17 1d6mA1 ALA 430 HA -0.00 0.03 0.32 -0.75 4.34 3.94 1d6mA1 ALA 430 HB3 -0.04 0.06 -0.11 -0.04 1.41 1.28 1d6mA1 LYS 431 H 0.05 0.05 -0.30 -0.55 8.42 7.67 1d6mA1 LYS 431 HA 0.07 -0.04 0.22 -0.75 4.32 3.82 1d6mA1 LYS 431 HB2 0.05 0.37 0.21 -0.04 1.87 2.46 1d6mA1 LYS 431 HB3 0.07 -0.07 0.17 -0.04 1.79 1.91 1d6mA1 LYS 431 HG2 0.04 -0.03 0.01 -0.04 1.46 1.44 1d6mA1 LYS 431 HG3 0.04 -0.05 -0.09 -0.04 1.46 1.31 1d6mA1 LYS 431 HD2 0.02 -0.03 -0.08 -0.04 1.69 1.56 1d6mA1 LYS 431 HD3 0.03 0.12 -0.16 -0.04 1.68 1.62 1d6mA1 LYS 431 HE2 0.04 0.01 -0.02 -0.04 2.99 2.98 1d6mA1 LYS 431 HE3 0.04 -0.03 -0.00 -0.04 2.99 2.96 1d6mA1 GLY 432 H 0.17 0.67 -0.26 -0.55 8.43 8.46 1d6mA1 GLY 432 HA2 0.21 0.10 0.84 -0.51 4.01 4.65 1d6mA1 GLY 432 HA3 0.28 0.00 0.19 -0.51 4.01 3.97 1d6mA1 LYS 433 H 0.17 0.15 0.15 -0.55 8.42 8.33 1d6mA1 LYS 433 HA 0.23 0.19 0.65 -0.75 4.32 4.64 1d6mA1 LYS 433 HB2 0.07 0.02 0.06 -0.04 1.87 1.98 1d6mA1 LYS 433 HB3 0.11 0.03 0.09 -0.04 1.79 1.97 1d6mA1 LYS 433 HG2 0.10 -0.08 0.20 -0.04 1.46 1.64 1d6mA1 LYS 433 HG3 0.04 0.04 0.07 -0.04 1.46 1.57 1d6mA1 LYS 433 HD2 0.06 -0.02 0.03 -0.04 1.69 1.72 1d6mA1 LYS 433 HD3 0.07 0.01 -0.01 -0.04 1.68 1.71 1d6mA1 LYS 433 HE2 0.08 -0.01 -0.09 -0.04 2.99 2.93 1d6mA1 LYS 433 HE3 0.13 -0.06 -0.23 -0.04 2.99 2.79 1d6mA1 PHE 434 H 0.41 0.61 0.33 -0.55 8.34 9.14 1d6mA1 PHE 434 HA 0.15 0.21 0.78 -0.75 4.62 5.02 1d6mA1 PHE 434 HB2 0.09 -0.08 -0.05 -0.04 3.15 3.07 1d6mA1 PHE 434 HB3 0.10 -0.03 -0.19 -0.04 3.06 2.89 1d6mA1 PHE 434 HD2 0.13 0.09 -0.36 -0.04 7.28 7.10 1d6mA1 PHE 434 HE2 0.04 0.04 -0.15 -0.04 7.38 7.28 1d6mA1 PHE 434 HZ -0.19 -0.01 -0.15 -0.04 7.32 6.92 1d6mA1 VAL 435 H 0.17 0.56 0.27 -0.55 8.24 8.69 1d6mA1 VAL 435 HA 0.13 0.18 0.97 -0.75 4.13 4.67 1d6mA1 VAL 435 HB 0.05 0.07 0.06 -0.04 2.12 2.26 1d6mA1 VAL 435 HG13 0.04 -0.02 -0.17 -0.04 0.97 0.78 1d6mA1 VAL 435 HG23 0.05 -0.00 -0.16 -0.04 0.95 0.80 1d6mA1 ALA 436 H 0.11 0.44 0.26 -0.55 8.40 8.66 1d6mA1 ALA 436 HA 0.13 0.08 0.88 -0.75 4.34 4.68 1d6mA1 ALA 436 HB3 0.30 0.01 0.11 -0.04 1.41 1.78 1d6mA1 LYS 437 H 0.07 0.23 0.24 -0.55 8.42 8.41 1d6mA1 LYS 437 HA 0.00 0.40 1.11 -0.75 4.32 5.08 1d6mA1 LYS 437 HB2 0.01 0.03 -0.01 -0.04 1.87 1.86 1d6mA1 LYS 437 HB3 -0.00 -0.01 0.03 -0.04 1.79 1.76 1d6mA1 LYS 437 HG2 0.04 -0.09 -0.08 -0.04 1.46 1.29 1d6mA1 LYS 437 HG3 0.02 0.04 -0.10 -0.04 1.46 1.37 1d6mA1 LYS 437 HD2 0.00 0.01 -0.14 -0.04 1.69 1.51 1d6mA1 LYS 437 HD3 0.02 -0.07 -0.23 -0.04 1.68 1.36 1d6mA1 LYS 437 HE2 0.01 0.01 -0.10 -0.04 2.99 2.86 1d6mA1 LYS 437 HE3 -0.00 0.03 -0.10 -0.04 2.99 2.87 1d6mA1 ALA 438 H 0.02 0.29 0.29 -0.55 8.40 8.45 1d6mA1 ALA 438 HA 0.08 0.40 0.74 -0.75 4.34 4.80 1d6mA1 ALA 438 HB3 0.12 0.05 -0.14 -0.04 1.41 1.40 1d6mA1 ARG 439 H 0.11 0.57 0.30 -0.55 8.46 8.89 1d6mA1 ARG 439 HA 0.04 0.29 1.03 -0.75 4.34 4.95 1d6mA1 ARG 439 HB2 -0.00 -0.04 0.00 -0.04 1.90 1.81 1d6mA1 ARG 439 HB3 0.02 0.08 0.15 -0.04 1.80 2.01 1d6mA1 ARG 439 HG2 0.04 -0.05 -0.13 -0.04 1.67 1.49 1d6mA1 ARG 439 HG3 0.00 0.01 -0.08 -0.04 1.67 1.56 1d6mA1 ARG 439 HD2 -0.12 -0.05 -0.10 -0.04 3.22 2.91 1d6mA1 ARG 439 HD3 -0.11 0.01 -0.06 -0.04 3.22 3.02 1d6mA1 PHE 440 H -0.09 0.45 0.23 -0.55 8.34 8.37 1d6mA1 PHE 440 HA 0.13 0.02 0.47 -0.75 4.62 4.48 1d6mA1 PHE 440 HB2 0.02 0.01 0.10 -0.04 3.15 3.24 1d6mA1 PHE 440 HB3 0.04 0.16 -0.16 -0.04 3.06 3.06 1d6mA1 PHE 440 HD2 -0.00 0.10 -0.34 -0.04 7.28 7.00 1d6mA1 PHE 440 HE2 -0.01 -0.01 -0.09 -0.04 7.38 7.23 1d6mA1 PHE 440 HZ -0.00 -0.02 -0.06 -0.04 7.32 7.20 1d6mA1 LEU 441 H 0.13 0.15 0.08 -0.55 8.37 8.18 1d6mA1 LEU 441 HA -0.64 0.06 0.45 -0.75 4.35 3.47 1d6mA1 LEU 441 HB2 -0.10 0.00 0.10 -0.04 1.64 1.60 1d6mA1 LEU 441 HB3 -0.18 -0.01 -0.17 -0.04 1.64 1.24 1d6mA1 LEU 441 HG -0.54 0.03 -0.05 -0.04 1.64 1.05 1d6mA1 LEU 441 HD13 -0.25 -0.00 -0.12 -0.04 0.93 0.51 1d6mA1 LEU 441 HD23 -0.81 -0.01 -0.23 -0.04 0.89 -0.21 1d6mA1 ALA 442 H -0.33 0.69 0.48 -0.55 8.40 8.70 1d6mA1 ALA 442 HA -0.00 0.18 0.82 -0.75 4.34 4.58 1d6mA1 ALA 442 HB3 -0.17 -0.01 0.02 -0.04 1.41 1.21 1d6mA1 GLU 443 H -0.23 0.31 0.20 -0.55 8.60 8.33 1d6mA1 GLU 443 HA -0.09 0.16 0.74 -0.75 4.29 4.35 1d6mA1 GLU 443 HB2 -0.11 -0.05 0.10 -0.04 2.09 1.99 1d6mA1 GLU 443 HB3 -0.08 0.06 0.07 -0.04 1.99 1.99 1d6mA1 GLU 443 HG2 -0.04 0.00 0.01 -0.04 2.34 2.28 1d6mA1 GLU 443 HG3 -0.05 0.14 0.08 -0.04 2.34 2.47 1d6mA1 ALA 444 H -0.12 0.21 -0.02 -0.55 8.40 7.91 1d6mA1 ALA 444 HA -0.31 0.03 0.25 -0.75 4.34 3.56 1d6mA1 ALA 444 HB3 -0.15 0.02 -0.11 -0.04 1.41 1.14 1d6mA1 GLY 445 H -0.09 0.01 -0.20 -0.55 8.43 7.60 1d6mA1 GLY 445 HA2 -0.01 0.03 0.25 -0.51 4.01 3.77 1d6mA1 GLY 445 HA3 -0.04 0.26 0.00 -0.51 4.01 3.72 1d6mA1 TRP 446 H 0.21 0.55 0.13 -0.55 7.97 8.31 1d6mA1 TRP 446 HA 0.00 0.02 0.19 -0.75 4.62 4.08 1d6mA1 TRP 446 HB2 -0.02 -0.02 0.14 -0.04 3.23 3.29 1d6mA1 TRP 446 HB3 -0.02 0.16 0.13 -0.04 3.23 3.47 1d6mA1 TRP 446 HD1 -0.01 0.00 0.14 -0.04 7.22 7.31 1d6mA1 TRP 446 HE1 0.03 0.15 -0.37 -0.04 10.20 9.97 1d6mA1 TRP 446 HE3 -0.01 -0.02 -0.29 -0.04 7.59 7.23 1d6mA1 TRP 446 HZ2 0.05 -0.01 -0.11 -0.04 7.44 7.33 1d6mA1 TRP 446 HZ3 0.00 -0.03 -0.10 -0.04 7.13 6.96 1d6mA1 TRP 446 HH2 0.03 -0.02 -0.05 -0.04 7.19 7.11 1d6mA1 ARG 447 H -1.16 0.26 -0.07 -0.55 8.46 6.94 1d6mA1 ARG 447 HA -0.47 -0.05 0.30 -0.75 4.34 3.37 1d6mA1 ARG 447 HB2 -0.48 0.01 0.02 -0.04 1.90 1.41 1d6mA1 ARG 447 HB3 -0.47 -0.04 0.15 -0.04 1.80 1.40 1d6mA1 ARG 447 HG2 -2.38 -0.06 0.03 -0.04 1.67 -0.78 1d6mA1 ARG 447 HG3 -1.21 0.08 0.12 -0.04 1.67 0.62 1d6mA1 ARG 447 HD2 -0.39 -0.09 0.01 -0.04 3.22 2.72 1d6mA1 ARG 447 HD3 -0.30 0.18 0.10 -0.04 3.22 3.15 1d6mA1 THR 448 H -0.11 0.86 -0.44 -0.55 8.28 8.04 1d6mA1 THR 448 HA -0.07 -0.01 0.42 -0.75 4.39 3.98 1d6mA1 THR 448 HB -0.00 -0.01 -0.06 -0.04 4.32 4.22 1d6mA1 THR 448 HG23 -0.04 -0.05 -0.01 -0.04 1.22 1.09 1d6mA1 LEU 449 H 0.05 0.33 -0.07 -0.55 8.37 8.13 1d6mA1 LEU 449 HA 0.06 0.02 0.36 -0.75 4.35 4.03 1d6mA1 LEU 449 HB2 0.17 0.19 0.10 -0.04 1.64 2.06 1d6mA1 LEU 449 HB3 0.12 -0.09 -0.02 -0.04 1.64 1.61 1d6mA1 LEU 449 HG 0.10 -0.05 -0.01 -0.04 1.64 1.64 1d6mA1 LEU 449 HD13 0.14 0.01 -0.12 -0.04 0.93 0.93 1d6mA1 LEU 449 HD23 0.08 -0.01 -0.03 -0.04 0.89 0.89 1d6mA1 LEU 450 H 0.02 0.12 -0.41 -0.55 8.37 7.56 1d6mA1 LEU 450 HA 0.08 -0.00 0.47 -0.75 4.35 4.14 1d6mA1 LEU 450 HB2 -0.03 0.14 -0.06 -0.04 1.64 1.65 1d6mA1 LEU 450 HB3 0.04 -0.17 0.05 -0.04 1.64 1.52 1d6mA1 LEU 450 HG 0.10 0.01 -0.05 -0.04 1.64 1.66 1d6mA1 LEU 450 HD13 -0.00 0.00 -0.10 -0.04 0.93 0.78 1d6mA1 LEU 450 HD23 0.25 -0.01 -0.10 -0.04 0.89 0.99 1d6mA1 GLY 451 H 0.04 0.00 0.13 -0.55 8.43 8.05 1d6mA1 GLY 451 HA2 0.03 0.24 0.58 -0.51 4.01 4.34 1d6mA1 GLY 451 HA3 0.03 -0.04 0.30 -0.51 4.01 3.79 1d6mA1 SER 452 H 0.01 0.16 0.13 -0.55 8.46 8.22 1d6mA1 SER 452 HA -0.01 0.12 0.29 -0.75 4.49 4.14 1d6mA1 SER 452 HB2 0.00 0.07 0.13 -0.04 3.95 4.11 1d6mA1 SER 452 HB3 0.01 -0.05 0.18 -0.04 3.93 4.03 1d6mA1 LYS 453 H 0.01 0.07 -0.08 -0.55 8.42 7.86 1d6mA1 LYS 453 HA 0.01 0.07 0.30 -0.75 4.32 3.95 1d6mA1 LYS 453 HB2 0.01 -0.05 0.11 -0.04 1.87 1.90 1d6mA1 LYS 453 HB3 0.01 0.03 0.01 -0.04 1.79 1.80 1d6mA1 LYS 453 HG2 0.01 0.01 0.02 -0.04 1.46 1.46 1d6mA1 LYS 453 HG3 0.01 -0.00 0.01 -0.04 1.46 1.44 1d6mA1 LYS 453 HD2 0.01 0.03 -0.11 -0.04 1.69 1.58 1d6mA1 LYS 453 HD3 0.01 0.02 -0.03 -0.04 1.68 1.64 1d6mA1 LYS 453 HE2 0.01 0.02 -0.03 -0.04 2.99 2.94 1d6mA1 LYS 453 HE3 0.01 -0.03 -0.02 -0.04 2.99 2.90 1d6mA1 GLU 454 H 0.01 0.03 -0.19 -0.55 8.60 7.90 1d6mA1 GLU 454 HA 0.02 0.02 0.34 -0.75 4.29 3.91 1d6mA1 GLU 454 HB2 0.02 -0.09 0.14 -0.04 2.09 2.12 1d6mA1 GLU 454 HB3 0.03 0.05 -0.03 -0.04 1.99 2.00 1d6mA1 GLU 454 HG2 0.03 0.02 0.03 -0.04 2.34 2.38 1d6mA1 GLU 454 HG3 0.01 -0.03 0.03 -0.04 2.34 2.31 1d6mA1 ARG 455 H -0.01 0.74 -0.18 -0.55 8.46 8.46 1d6mA1 ARG 455 HA -0.10 -0.03 0.38 -0.75 4.34 3.84 1d6mA1 ARG 455 HB2 -0.04 0.10 -0.22 -0.04 1.90 1.70 1d6mA1 ARG 455 HB3 -0.03 0.03 0.08 -0.04 1.80 1.83 1d6mA1 ARG 455 HG2 -0.15 -0.13 -0.09 -0.04 1.67 1.26 1d6mA1 ARG 455 HG3 -0.11 0.30 -0.12 -0.04 1.67 1.70 1d6mA1 ARG 455 HD2 -0.05 -0.02 -0.16 -0.04 3.22 2.95 1d6mA1 ARG 455 HD3 -0.09 -0.11 -0.14 -0.04 3.22 2.84 1d6mA1 ASP 456 H -0.00 0.53 -0.09 -0.55 8.40 8.29 1d6mA1 ASP 456 HA 0.04 0.01 0.63 -0.75 4.63 4.57 1d6mA1 ASP 456 HB2 0.02 0.07 0.06 -0.04 2.71 2.82 1d6mA1 ASP 456 HB3 0.04 -0.06 0.19 -0.04 2.70 2.82 1d6mA1 GLU 457 H 0.03 0.52 -0.34 -0.55 8.60 8.26 1d6mA1 GLU 457 HA 0.03 0.03 0.32 -0.75 4.29 3.92 1d6mA1 GLU 457 HB2 0.02 -0.08 0.08 -0.04 2.09 2.07 1d6mA1 GLU 457 HB3 0.03 0.05 0.13 -0.04 1.99 2.16 1d6mA1 GLU 457 HG2 0.05 0.12 0.08 -0.04 2.34 2.54 1d6mA1 GLU 457 HG3 0.03 -0.03 -0.21 -0.04 2.34 2.09 1d6mA1 GLU 458 H 0.09 0.13 -0.21 -0.55 8.60 8.07 1d6mA1 GLU 458 HA -0.01 0.15 0.56 -0.75 4.29 4.23 1d6mA1 GLU 458 HB2 0.06 0.00 -0.01 -0.04 2.09 2.10 1d6mA1 GLU 458 HB3 -0.31 -0.04 0.00 -0.04 1.99 1.60 1d6mA1 GLU 458 HG2 -0.05 0.03 -0.07 -0.04 2.34 2.20 1d6mA1 GLU 458 HG3 0.02 0.00 -0.06 -0.04 2.34 2.26 1d6mA1 ASN 459 H 0.12 0.22 -0.32 -0.55 8.53 8.00 1d6mA1 ASN 459 HA 0.18 0.04 0.40 -0.75 4.76 4.62 1d6mA1 ASN 459 HB2 0.08 0.15 0.15 -0.04 2.88 3.22 1d6mA1 ASN 459 HB3 0.12 0.04 0.09 -0.04 2.79 3.00 1d6mA1 ASN 459 HD21 0.09 -0.05 0.08 -0.04 7.03 7.11 1d6mA1 ASN 459 HD22 0.07 0.05 0.08 -0.04 7.74 7.90 1d6mA1 ASP 460 H 0.10 0.57 0.33 -0.55 8.40 8.86 1d6mA1 ASP 460 HA 0.04 0.04 0.78 -0.75 4.63 4.74 1d6mA1 ASP 460 HB2 0.01 0.16 -0.24 -0.04 2.71 2.60 1d6mA1 ASP 460 HB3 0.02 -0.07 0.15 -0.04 2.70 2.75 1d6mA1 GLY 461 H 0.04 0.10 0.08 -0.55 8.43 8.10 1d6mA1 GLY 461 HA2 0.04 -0.06 0.42 -0.51 4.01 3.89 1d6mA1 GLY 461 HA3 0.05 0.31 0.85 -0.51 4.01 4.71 1d6mA1 THR 462 H 0.03 0.07 0.20 -0.55 8.28 8.03 1d6mA1 THR 462 HA -0.02 0.12 0.64 -0.75 4.39 4.38 1d6mA1 THR 462 HB 0.02 0.14 0.07 -0.04 4.32 4.50 1d6mA1 THR 462 HG23 -0.01 -0.01 0.06 -0.04 1.22 1.22 1d6mA1 PRO 463 HA -0.03 0.04 0.41 -0.51 4.44 4.35 1d6mA1 PRO 463 HB2 -0.12 0.01 -0.07 -0.04 2.28 2.06 1d6mA1 PRO 463 HB3 -0.29 0.02 0.05 -0.04 2.02 1.76 1d6mA1 PRO 463 HG2 -0.21 0.00 0.05 -0.04 2.03 1.83 1d6mA1 PRO 463 HG3 -0.42 0.06 0.05 -0.04 2.03 1.68 1d6mA1 PRO 463 HD2 -0.07 0.07 0.19 -0.04 3.68 3.83 1d6mA1 PRO 463 HD3 -0.10 0.15 0.25 -0.04 3.65 3.91 1d6mA1 LEU 464 H 0.01 0.09 0.10 -0.55 8.37 8.02 1d6mA1 LEU 464 HA -0.13 0.23 0.83 -0.75 4.35 4.52 1d6mA1 LEU 464 HB2 -0.07 -0.05 -0.03 -0.04 1.64 1.44 1d6mA1 LEU 464 HB3 -0.30 0.03 -0.04 -0.04 1.64 1.29 1d6mA1 LEU 464 HG -0.03 0.06 -0.20 -0.04 1.64 1.42 1d6mA1 LEU 464 HD13 -0.08 -0.03 -0.22 -0.04 0.93 0.56 1d6mA1 LEU 464 HD23 -0.18 0.01 -0.13 -0.04 0.89 0.55 1d6mA1 PRO 465 HA -0.02 0.08 0.42 -0.51 4.44 4.41 1d6mA1 PRO 465 HB2 -0.02 0.06 -0.14 -0.04 2.28 2.15 1d6mA1 PRO 465 HB3 -0.00 0.00 -0.03 -0.04 2.02 1.95 1d6mA1 PRO 465 HG2 -0.23 -0.01 -0.19 -0.04 2.03 1.56 1d6mA1 PRO 465 HG3 -0.00 0.02 -0.20 -0.04 2.03 1.80 1d6mA1 PRO 465 HD2 -0.67 0.07 0.05 -0.04 3.68 3.08 1d6mA1 PRO 465 HD3 -0.22 0.25 0.06 -0.04 3.65 3.70 1d6mA1 VAL 466 H -0.01 0.10 0.08 -0.55 8.24 7.85 1d6mA1 VAL 466 HA -0.01 0.14 0.66 -0.75 4.13 4.17 1d6mA1 VAL 466 HB -0.05 -0.04 0.12 -0.04 2.12 2.11 1d6mA1 VAL 466 HG13 -0.20 0.00 -0.07 -0.04 0.97 0.67 1d6mA1 VAL 466 HG23 0.05 0.01 -0.02 -0.04 0.95 0.94 1d6mA1 VAL 467 H -0.63 0.30 0.17 -0.55 8.24 7.53 1d6mA1 VAL 467 HA -0.11 0.06 0.55 -0.75 4.13 3.88 1d6mA1 VAL 467 HB 0.01 0.14 -0.24 -0.04 2.12 1.99 1d6mA1 VAL 467 HG13 0.14 -0.02 -0.19 -0.04 0.97 0.86 1d6mA1 VAL 467 HG23 0.04 0.01 -0.18 -0.04 0.95 0.77 1d6mA1 ALA 468 H -0.08 0.19 0.11 -0.55 8.40 8.08 1d6mA1 ALA 468 HA -0.19 0.20 0.83 -0.75 4.34 4.43 1d6mA1 ALA 468 HB3 -0.10 0.02 -0.05 -0.04 1.41 1.25 1d6mA1 LYS 469 H 0.02 0.14 0.04 -0.55 8.42 8.07 1d6mA1 LYS 469 HA 0.06 -0.05 0.06 -0.75 4.32 3.63 1d6mA1 LYS 469 HB2 0.06 -0.07 -0.04 -0.04 1.87 1.78 1d6mA1 LYS 469 HB3 0.03 -0.02 0.07 -0.04 1.79 1.84 1d6mA1 LYS 469 HG2 0.03 0.06 -0.36 -0.04 1.46 1.15 1d6mA1 LYS 469 HG3 0.05 0.12 -0.28 -0.04 1.46 1.30 1d6mA1 LYS 469 HD2 0.04 0.01 0.00 -0.04 1.69 1.70 1d6mA1 LYS 469 HD3 0.03 -0.06 -0.04 -0.04 1.68 1.57 1d6mA1 LYS 469 HE2 0.02 -0.05 -0.02 -0.04 2.99 2.90 1d6mA1 LYS 469 HE3 0.03 0.02 -0.04 -0.04 2.99 2.96 1d6mA1 GLY 470 H 0.04 0.48 0.18 -0.55 8.43 8.58 1d6mA1 GLY 470 HA2 0.03 0.04 0.37 -0.51 4.01 3.93 1d6mA1 GLY 470 HA3 0.02 0.13 0.80 -0.51 4.01 4.45 1d6mA1 ASP 471 H 0.02 0.46 -0.03 -0.55 8.40 8.30 1d6mA1 ASP 471 HA 0.01 0.04 0.31 -0.75 4.63 4.23 1d6mA1 ASP 471 HB2 0.03 -0.07 0.06 -0.04 2.71 2.69 1d6mA1 ASP 471 HB3 0.02 0.06 -0.01 -0.04 2.70 2.73 1d6mA1 GLU 472 H 0.01 0.12 0.18 -0.55 8.60 8.36 1d6mA1 GLU 472 HA 0.02 0.17 0.85 -0.75 4.29 4.58 1d6mA1 GLU 472 HB2 0.01 0.03 0.13 -0.04 2.09 2.21 1d6mA1 GLU 472 HB3 0.01 -0.07 0.26 -0.04 1.99 2.15 1d6mA1 GLU 472 HG2 -0.00 -0.04 0.02 -0.04 2.34 2.29 1d6mA1 GLU 472 HG3 -0.00 0.10 0.08 -0.04 2.34 2.47 1d6mA1 LEU 473 H 0.03 0.83 0.36 -0.55 8.37 9.04 1d6mA1 LEU 473 HA 0.03 0.13 0.86 -0.75 4.35 4.61 1d6mA1 LEU 473 HB2 0.04 -0.03 -0.03 -0.04 1.64 1.57 1d6mA1 LEU 473 HB3 0.07 0.03 0.08 -0.04 1.64 1.78 1d6mA1 LEU 473 HG 0.09 0.08 -0.11 -0.04 1.64 1.66 1d6mA1 LEU 473 HD13 0.28 -0.02 -0.17 -0.04 0.93 0.98 1d6mA1 LEU 473 HD23 0.07 -0.02 -0.15 -0.04 0.89 0.75 1d6mA1 LEU 474 H -0.01 0.65 0.31 -0.55 8.37 8.77 1d6mA1 LEU 474 HA -0.05 0.17 1.08 -0.75 4.35 4.79 1d6mA1 LEU 474 HB2 -0.02 -0.02 -0.14 -0.04 1.64 1.42 1d6mA1 LEU 474 HB3 -0.02 0.02 0.09 -0.04 1.64 1.69 1d6mA1 LEU 474 HG -0.05 0.01 -0.80 -0.04 1.64 0.76 1d6mA1 LEU 474 HD13 -0.04 0.04 -0.23 -0.04 0.93 0.66 1d6mA1 LEU 474 HD23 -0.03 -0.02 -0.13 -0.04 0.89 0.68 1d6mA1 CYS 475 H -0.09 0.54 0.10 -0.55 8.50 8.50 1d6mA1 CYS 475 HA -0.14 0.05 0.48 -0.75 4.58 4.21 1d6mA1 CYS 475 HB2 -0.22 -0.10 -0.10 -0.04 2.97 2.51 1d6mA1 CYS 475 HB3 -0.14 0.26 0.10 -0.04 2.97 3.15 1d6mA1 GLU 476 H -0.07 0.66 0.45 -0.55 8.60 9.10 1d6mA1 GLU 476 HA -0.05 0.05 0.39 -0.75 4.29 3.92 1d6mA1 GLU 476 HB2 -0.03 0.12 0.09 -0.04 2.09 2.23 1d6mA1 GLU 476 HB3 -0.04 -0.03 -0.03 -0.04 1.99 1.85 1d6mA1 GLU 476 HG2 -0.04 -0.04 0.03 -0.04 2.34 2.25 1d6mA1 GLU 476 HG3 -0.03 -0.01 -0.00 -0.04 2.34 2.26 1d6mA1 LYS 477 H -0.06 0.21 0.01 -0.55 8.42 8.02 1d6mA1 LYS 477 HA -0.08 -0.05 0.38 -0.75 4.32 3.81 1d6mA1 LYS 477 HB2 -0.09 -0.00 0.27 -0.04 1.87 2.01 1d6mA1 LYS 477 HB3 -0.11 0.17 -0.18 -0.04 1.79 1.63 1d6mA1 LYS 477 HG2 -0.16 0.18 -0.44 -0.04 1.46 1.00 1d6mA1 LYS 477 HG3 -0.14 -0.02 -0.04 -0.04 1.46 1.23 1d6mA1 LYS 477 HD2 -0.22 0.01 -0.17 -0.04 1.69 1.26 1d6mA1 LYS 477 HD3 -0.57 -0.08 -0.17 -0.04 1.68 0.82 1d6mA1 LYS 477 HE2 -0.34 -0.03 -0.08 -0.04 2.99 2.51 1d6mA1 LYS 477 HE3 -0.33 -0.00 -0.11 -0.04 2.99 2.50 1d6mA1 GLY 478 H -0.07 0.20 0.19 -0.55 8.43 8.21 1d6mA1 GLY 478 HA2 0.06 0.23 0.88 -0.51 4.01 4.67 1d6mA1 GLY 478 HA3 -0.01 -0.01 0.26 -0.51 4.01 3.74 1d6mA1 GLU 479 H 0.10 0.41 0.28 -0.55 8.60 8.85 1d6mA1 GLU 479 HA 0.00 0.11 0.77 -0.75 4.29 4.42 1d6mA1 GLU 479 HB2 0.02 0.02 0.09 -0.04 2.09 2.17 1d6mA1 GLU 479 HB3 0.04 0.03 -0.24 -0.04 1.99 1.78 1d6mA1 GLU 479 HG2 0.17 -0.07 -0.03 -0.04 2.34 2.37 1d6mA1 GLU 479 HG3 0.09 0.06 -0.47 -0.04 2.34 1.98 1d6mA1 VAL 480 H 0.02 0.17 0.14 -0.55 8.24 8.02 1d6mA1 VAL 480 HA 0.08 0.24 0.86 -0.75 4.13 4.55 1d6mA1 VAL 480 HB 0.00 -0.01 0.11 -0.04 2.12 2.19 1d6mA1 VAL 480 HG13 0.02 0.00 -0.09 -0.04 0.97 0.86 1d6mA1 VAL 480 HG23 -0.04 -0.01 -0.15 -0.04 0.95 0.71 1d6mA1 VAL 481 H 0.11 0.77 0.38 -0.55 8.24 8.95 1d6mA1 VAL 481 HA 0.05 0.16 0.95 -0.75 4.13 4.54 1d6mA1 VAL 481 HB 0.03 -0.10 0.11 -0.04 2.12 2.12 1d6mA1 VAL 481 HG13 -0.02 0.02 -0.16 -0.04 0.97 0.77 1d6mA1 VAL 481 HG23 0.06 0.01 -0.12 -0.04 0.95 0.87 1d6mA1 GLU 482 H 0.05 0.17 0.12 -0.55 8.60 8.39 1d6mA1 GLU 482 HA 0.01 0.16 0.88 -0.75 4.29 4.58 1d6mA1 GLU 482 HB2 0.04 -0.01 0.14 -0.04 2.09 2.21 1d6mA1 GLU 482 HB3 0.05 0.05 0.05 -0.04 1.99 2.10 1d6mA1 GLU 482 HG2 0.53 0.00 -0.04 -0.04 2.34 2.79 1d6mA1 GLU 482 HG3 0.15 -0.01 -0.04 -0.04 2.34 2.41 1d6mA1 ARG 483 H -0.64 0.73 0.40 -0.55 8.46 8.40 1d6mA1 ARG 483 HA -0.24 0.11 0.71 -0.75 4.34 4.16 1d6mA1 ARG 483 HB2 -0.97 0.00 -0.11 -0.04 1.90 0.77 1d6mA1 ARG 483 HB3 -1.12 0.00 -0.07 -0.04 1.80 0.57 1d6mA1 ARG 483 HG2 -0.13 0.01 0.06 -0.04 1.67 1.56 1d6mA1 ARG 483 HG3 -0.19 0.09 -0.15 -0.04 1.67 1.38 1d6mA1 ARG 483 HD2 -0.05 -0.01 -0.08 -0.04 3.22 3.03 1d6mA1 ARG 483 HD3 -0.18 -0.04 -0.15 -0.04 3.22 2.82 1d6mA1 GLN 484 H -0.06 0.21 0.14 -0.55 8.47 8.21 1d6mA1 GLN 484 HA 0.05 0.19 1.03 -0.75 4.36 4.88 1d6mA1 GLN 484 HB2 -0.02 -0.08 -0.04 -0.04 2.15 1.97 1d6mA1 GLN 484 HB3 0.03 -0.01 0.09 -0.04 2.02 2.09 1d6mA1 GLN 484 HG2 0.07 0.13 -0.05 -0.04 2.40 2.51 1d6mA1 GLN 484 HG3 0.03 -0.07 -0.06 -0.04 2.39 2.24 1d6mA1 GLN 484 HE21 0.05 -0.08 -0.01 -0.04 6.97 6.88 1d6mA1 GLN 484 HE22 0.08 0.33 -0.15 -0.04 7.69 7.91 1d6mA1 THR 485 H 0.21 0.63 0.24 -0.55 8.28 8.82 1d6mA1 THR 485 HA 0.19 0.04 0.48 -0.75 4.39 4.34 1d6mA1 THR 485 HB 0.15 0.04 0.08 -0.04 4.32 4.55 1d6mA1 THR 485 HG23 -0.11 0.01 -0.03 -0.04 1.22 1.04 1d6mA1 GLN 486 H 0.02 0.11 0.15 -0.55 8.47 8.21 1d6mA1 GLN 486 HA -0.02 0.23 0.95 -0.75 4.36 4.77 1d6mA1 GLN 486 HB2 -0.08 -0.08 0.05 -0.04 2.15 2.00 1d6mA1 GLN 486 HB3 -0.11 0.14 0.03 -0.04 2.02 2.04 1d6mA1 GLN 486 HG2 0.03 -0.01 -0.08 -0.04 2.40 2.30 1d6mA1 GLN 486 HG3 -0.01 -0.04 -0.02 -0.04 2.39 2.27 1d6mA1 GLN 486 HE21 0.03 -0.07 -0.05 -0.04 6.97 6.84 1d6mA1 GLN 486 HE22 0.04 0.01 -0.05 -0.04 7.69 7.65 1d6mA1 PRO 487 HA -1.69 0.07 0.56 -0.51 4.44 2.87 1d6mA1 PRO 487 HB2 -0.36 0.11 0.03 -0.04 2.28 2.02 1d6mA1 PRO 487 HB3 -0.42 0.05 0.09 -0.04 2.02 1.70 1d6mA1 PRO 487 HG2 -0.21 0.03 0.04 -0.04 2.03 1.85 1d6mA1 PRO 487 HG3 -0.11 0.03 0.08 -0.04 2.03 1.99 1d6mA1 PRO 487 HD2 -0.14 0.04 0.21 -0.04 3.68 3.75 1d6mA1 PRO 487 HD3 -0.07 0.15 0.17 -0.04 3.65 3.86 1d6mA1 PRO 488 HA -0.22 0.01 0.33 -0.51 4.44 4.05 1d6mA1 PRO 488 HB2 -0.24 0.05 -0.08 -0.04 2.28 1.97 1d6mA1 PRO 488 HB3 -0.19 -0.01 0.09 -0.04 2.02 1.87 1d6mA1 PRO 488 HG2 -0.15 0.02 -0.01 -0.04 2.03 1.85 1d6mA1 PRO 488 HG3 -0.18 0.03 0.05 -0.04 2.03 1.89 1d6mA1 PRO 488 HD2 -0.37 0.12 0.08 -0.04 3.68 3.46 1d6mA1 PRO 488 HD3 -0.70 0.13 0.17 -0.04 3.65 3.22 1d6mA1 ARG 489 H -0.18 0.06 0.12 -0.55 8.46 7.91 1d6mA1 ARG 489 HA -0.26 0.18 0.79 -0.75 4.34 4.31 1d6mA1 ARG 489 HB2 -0.05 -0.07 0.01 -0.04 1.90 1.75 1d6mA1 ARG 489 HB3 -0.04 0.03 0.05 -0.04 1.80 1.81 1d6mA1 ARG 489 HG2 -0.11 0.07 -0.10 -0.04 1.67 1.49 1d6mA1 ARG 489 HG3 -0.03 -0.04 -0.00 -0.04 1.67 1.56 1d6mA1 ARG 489 HD2 -0.00 -0.02 0.01 -0.04 3.22 3.17 1d6mA1 ARG 489 HD3 -0.06 0.06 -0.03 -0.04 3.22 3.15 1d6mA1 HIS 490 H -0.34 0.10 0.11 -0.55 8.41 7.74 1d6mA1 HIS 490 HA -0.15 0.05 0.47 -0.75 4.63 4.24 1d6mA1 HIS 490 HB2 -0.45 -0.07 0.11 -0.04 3.26 2.81 1d6mA1 HIS 490 HB3 -0.20 0.16 0.03 -0.04 3.20 3.15 1d6mA1 HIS 490 HD2 -0.19 -0.03 0.03 -0.04 6.97 6.73 1d6mA1 HIS 490 HE1 0.08 0.03 0.04 -0.04 7.75 7.86 1d6mA1 PHE 491 H 0.09 0.11 0.18 -0.55 8.34 8.18 1d6mA1 PHE 491 HA 0.08 0.03 0.35 -0.75 4.62 4.33 1d6mA1 PHE 491 HB2 0.04 0.06 0.11 -0.04 3.15 3.32 1d6mA1 PHE 491 HB3 0.03 -0.07 0.01 -0.04 3.06 2.99 1d6mA1 PHE 491 HD2 0.01 -0.09 -0.11 -0.04 7.28 7.04 1d6mA1 PHE 491 HE2 -0.04 0.15 -0.21 -0.04 7.38 7.24 1d6mA1 PHE 491 HZ -0.24 0.05 -0.04 -0.04 7.32 7.04 1d6mA1 THR 492 H 0.26 0.02 0.23 -0.55 8.28 8.23 1d6mA1 THR 492 HA 0.07 0.33 1.05 -0.75 4.39 5.09 1d6mA1 THR 492 HB -0.07 0.08 0.23 -0.04 4.32 4.51 1d6mA1 THR 492 HG23 -0.11 0.07 -0.06 -0.04 1.22 1.07 1d6mA1 ASP 493 H -0.01 0.35 0.12 -0.55 8.40 8.31 1d6mA1 ASP 493 HA -0.01 0.03 0.26 -0.75 4.63 4.16 1d6mA1 ASP 493 HB2 -0.04 0.03 0.05 -0.04 2.71 2.72 1d6mA1 ASP 493 HB3 -0.04 -0.04 -0.08 -0.04 2.70 2.50 1d6mA1 ALA 494 H -0.01 0.16 -0.17 -0.55 8.40 7.84 1d6mA1 ALA 494 HA -0.01 0.06 0.52 -0.75 4.34 4.15 1d6mA1 ALA 494 HB3 -0.00 0.02 0.03 -0.04 1.41 1.42 1d6mA1 THR 495 H 0.08 0.08 -0.13 -0.55 8.28 7.76 1d6mA1 THR 495 HA 0.12 0.08 0.32 -0.75 4.39 4.16 1d6mA1 THR 495 HB 0.31 0.10 0.02 -0.04 4.32 4.71 1d6mA1 THR 495 HG23 0.10 0.03 0.02 -0.04 1.22 1.33 1d6mA1 LEU 496 H 0.07 0.61 -0.07 -0.55 8.37 8.43 1d6mA1 LEU 496 HA -0.77 0.09 0.48 -0.75 4.35 3.40 1d6mA1 LEU 496 HB2 -0.27 -0.01 0.01 -0.04 1.64 1.33 1d6mA1 LEU 496 HB3 -0.12 0.03 0.03 -0.04 1.64 1.53 1d6mA1 LEU 496 HG -0.24 -0.05 -0.23 -0.04 1.64 1.08 1d6mA1 LEU 496 HD13 -0.76 0.02 -0.02 -0.04 0.93 0.13 1d6mA1 LEU 496 HD23 -0.08 -0.01 -0.12 -0.04 0.89 0.64 1d6mA1 LEU 497 H -0.06 0.49 -0.16 -0.55 8.37 8.09 1d6mA1 LEU 497 HA -0.09 -0.05 0.39 -0.75 4.35 3.85 1d6mA1 LEU 497 HB2 -0.05 -0.04 0.09 -0.04 1.64 1.60 1d6mA1 LEU 497 HB3 -0.04 0.17 0.16 -0.04 1.64 1.89 1d6mA1 LEU 497 HG -0.04 0.03 -0.15 -0.04 1.64 1.44 1d6mA1 LEU 497 HD13 -0.05 -0.04 -0.03 -0.04 0.93 0.77 1d6mA1 LEU 497 HD23 -0.05 -0.02 -0.04 -0.04 0.89 0.73 1d6mA1 SER 498 H 0.00 0.61 -0.03 -0.55 8.46 8.50 1d6mA1 SER 498 HA 0.02 -0.03 0.34 -0.75 4.49 4.06 1d6mA1 SER 498 HB2 0.10 0.09 -0.00 -0.04 3.95 4.10 1d6mA1 SER 498 HB3 0.05 -0.01 0.05 -0.04 3.93 3.98 1d6mA1 ALA 499 H 0.01 0.64 -0.14 -0.55 8.40 8.36 1d6mA1 ALA 499 HA 0.13 0.09 0.31 -0.75 4.34 4.12 1d6mA1 ALA 499 HB3 -0.48 0.03 0.11 -0.04 1.41 1.02 1d6mA1 MET 500 H -0.14 0.44 -0.22 -0.55 8.47 8.00 1d6mA1 MET 500 HA -0.10 0.06 0.61 -0.75 4.52 4.34 1d6mA1 MET 500 HB2 -0.08 0.15 0.10 -0.04 2.15 2.28 1d6mA1 MET 500 HB3 -0.06 -0.31 0.00 -0.04 2.03 1.63 1d6mA1 MET 500 HG2 -0.11 -0.03 -0.02 -0.04 2.63 2.43 1d6mA1 MET 500 HG3 -0.19 0.19 -0.02 -0.04 2.56 2.50 1d6mA1 MET 500 HE3 -0.14 0.02 -0.22 -0.04 2.10 1.72 1d6mA1 THR 501 H -0.02 0.55 -0.07 -0.55 8.28 8.20 1d6mA1 THR 501 HA -0.00 -0.10 0.53 -0.75 4.39 4.06 1d6mA1 THR 501 HB 0.01 0.08 -0.14 -0.04 4.32 4.23 1d6mA1 THR 501 HG23 -0.00 -0.05 -0.04 -0.04 1.22 1.08 1d6mA1 GLY 502 H 0.05 0.65 -0.18 -0.55 8.43 8.40 1d6mA1 GLY 502 HA2 0.05 0.33 0.75 -0.51 4.01 4.62 1d6mA1 GLY 502 HA3 0.07 -0.02 0.32 -0.51 4.01 3.86 1d6mA1 ILE 503 H 0.05 0.52 0.04 -0.55 8.25 8.31 1d6mA1 ILE 503 HA 0.18 0.31 0.52 -0.75 4.18 4.43 1d6mA1 ILE 503 HB 0.03 -0.02 0.01 -0.04 1.89 1.86 1d6mA1 ILE 503 HG12 0.01 -0.06 -0.11 -0.04 1.49 1.29 1d6mA1 ILE 503 HG13 0.08 -0.09 -0.18 -0.04 1.21 0.98 1d6mA1 ILE 503 HG23 0.04 0.03 -0.22 -0.04 0.93 0.74 1d6mA1 ILE 503 HD13 -0.03 0.01 -0.01 -0.04 0.88 0.80 1d6mA1 ALA 504 H 0.06 0.24 -0.12 -0.55 8.40 8.04 1d6mA1 ALA 504 HA 0.04 -0.07 0.23 -0.75 4.34 3.79 1d6mA1 ALA 504 HB3 0.02 0.06 0.01 -0.04 1.41 1.46 1d6mA1 ARG 505 H 0.04 0.17 -0.30 -0.55 8.46 7.81 1d6mA1 ARG 505 HA -0.11 0.04 0.31 -0.75 4.34 3.82 1d6mA1 ARG 505 HB2 -0.50 0.04 -0.06 -0.04 1.90 1.33 1d6mA1 ARG 505 HB3 -0.28 -0.03 0.06 -0.04 1.80 1.51 1d6mA1 ARG 505 HG2 -0.05 -0.02 -0.01 -0.04 1.67 1.55 1d6mA1 ARG 505 HG3 0.02 -0.01 -0.04 -0.04 1.67 1.60 1d6mA1 ARG 505 HD2 0.07 0.06 -0.01 -0.04 3.22 3.30 1d6mA1 ARG 505 HD3 -0.02 -0.02 -0.03 -0.04 3.22 3.12 1d6mA1 PHE 506 H 0.22 0.76 -0.10 -0.55 8.34 8.67 1d6mA1 PHE 506 HA 0.02 0.13 0.78 -0.75 4.62 4.80 1d6mA1 PHE 506 HB2 0.02 0.08 0.07 -0.04 3.15 3.29 1d6mA1 PHE 506 HB3 0.04 -0.10 0.09 -0.04 3.06 3.04 1d6mA1 PHE 506 HD2 0.06 0.10 0.06 -0.04 7.28 7.45 1d6mA1 PHE 506 HE2 0.10 0.00 -0.01 -0.04 7.38 7.43 1d6mA1 PHE 506 HZ 0.17 -0.05 -0.03 -0.04 7.32 7.38 1d6mA1 VAL 507 H 0.08 0.39 -0.21 -0.55 8.24 7.95 1d6mA1 VAL 507 HA 0.05 -0.15 0.41 -0.75 4.13 3.69 1d6mA1 VAL 507 HB 0.02 0.29 0.03 -0.04 2.12 2.43 1d6mA1 VAL 507 HG13 0.00 -0.05 -0.19 -0.04 0.97 0.69 1d6mA1 VAL 507 HG23 0.04 -0.01 -0.30 -0.04 0.95 0.65 1d6mA1 GLN 508 H 0.02 -0.07 0.16 -0.55 8.47 8.03 1d6mA1 GLN 508 HA 0.01 0.23 0.40 -0.75 4.36 4.26 1d6mA1 GLN 508 HB2 0.03 0.05 0.11 -0.04 2.15 2.30 1d6mA1 GLN 508 HB3 0.00 -0.13 0.10 -0.04 2.02 1.95 1d6mA1 GLN 508 HG2 0.01 -0.03 -0.03 -0.04 2.40 2.31 1d6mA1 GLN 508 HG3 0.00 -0.02 -0.10 -0.04 2.39 2.23 1d6mA1 GLN 508 HE21 0.02 0.04 -0.00 -0.04 6.97 6.99 1d6mA1 GLN 508 HE22 0.01 -0.04 -0.01 -0.04 7.69 7.61 1d6mA1 ASP 509 H -0.01 -0.02 0.00 -0.55 8.40 7.83 1d6mA1 ASP 509 HA -0.01 0.16 0.63 -0.75 4.63 4.65 1d6mA1 ASP 509 HB2 -0.03 0.10 0.05 -0.04 2.71 2.79 1d6mA1 ASP 509 HB3 -0.03 -0.02 0.10 -0.04 2.70 2.71 1d6mA1 LYS 510 H -0.01 0.18 0.17 -0.55 8.42 8.21 1d6mA1 LYS 510 HA -0.01 0.19 0.06 -0.75 4.32 3.80 1d6mA1 LYS 510 HB2 -0.01 -0.04 0.04 -0.04 1.87 1.82 1d6mA1 LYS 510 HB3 -0.01 0.06 0.03 -0.04 1.79 1.83 1d6mA1 LYS 510 HG2 -0.01 0.10 0.01 -0.04 1.46 1.52 1d6mA1 LYS 510 HG3 -0.01 -0.03 0.14 -0.04 1.46 1.52 1d6mA1 LYS 510 HD2 -0.01 0.01 0.00 -0.04 1.69 1.65 1d6mA1 LYS 510 HD3 -0.01 0.05 0.02 -0.04 1.68 1.69 1d6mA1 LYS 510 HE2 -0.01 -0.02 0.06 -0.04 2.99 2.98 1d6mA1 LYS 510 HE3 -0.01 -0.04 0.02 -0.04 2.99 2.92 1d6mA1 ASP 511 H -0.02 0.04 -0.13 -0.55 8.40 7.75 1d6mA1 ASP 511 HA -0.01 0.14 0.43 -0.75 4.63 4.43 1d6mA1 ASP 511 HB2 -0.03 -0.08 0.07 -0.04 2.71 2.63 1d6mA1 ASP 511 HB3 -0.02 0.07 0.01 -0.04 2.70 2.72 1d6mA1 LEU 512 H -0.02 0.03 -0.20 -0.55 8.37 7.63 1d6mA1 LEU 512 HA -0.00 0.06 0.32 -0.75 4.35 3.97 1d6mA1 LEU 512 HB2 -0.04 -0.04 0.07 -0.04 1.64 1.58 1d6mA1 LEU 512 HB3 -0.02 0.05 0.08 -0.04 1.64 1.71 1d6mA1 LEU 512 HG 0.01 0.06 -0.21 -0.04 1.64 1.46 1d6mA1 LEU 512 HD13 0.04 0.00 -0.00 -0.04 0.93 0.93 1d6mA1 LEU 512 HD23 -0.04 -0.01 0.02 -0.04 0.89 0.82 1d6mA1 LYS 513 H -0.01 0.50 -0.22 -0.55 8.42 8.13 1d6mA1 LYS 513 HA 0.01 -0.02 0.31 -0.75 4.32 3.87 1d6mA1 LYS 513 HB2 -0.01 0.12 -0.09 -0.04 1.87 1.85 1d6mA1 LYS 513 HB3 -0.01 0.06 -0.10 -0.04 1.79 1.69 1d6mA1 LYS 513 HG2 -0.01 -0.06 -0.07 -0.04 1.46 1.28 1d6mA1 LYS 513 HG3 -0.00 0.22 -0.01 -0.04 1.46 1.62 1d6mA1 LYS 513 HD2 -0.02 -0.07 -0.13 -0.04 1.69 1.43 1d6mA1 LYS 513 HD3 -0.03 -0.03 -0.12 -0.04 1.68 1.46 1d6mA1 LYS 513 HE2 -0.01 0.17 -0.18 -0.04 2.99 2.93 1d6mA1 LYS 513 HE3 -0.02 -0.15 -0.21 -0.04 2.99 2.57 1d6mA1 LYS 514 H -0.00 0.28 -0.42 -0.55 8.42 7.72 1d6mA1 LYS 514 HA -0.00 0.08 0.64 -0.75 4.32 4.28 1d6mA1 LYS 514 HB2 -0.01 0.13 0.17 -0.04 1.87 2.13 1d6mA1 LYS 514 HB3 -0.00 -0.01 0.13 -0.04 1.79 1.87 1d6mA1 LYS 514 HG2 -0.00 -0.07 0.00 -0.04 1.46 1.34 1d6mA1 LYS 514 HG3 -0.00 -0.01 -0.04 -0.04 1.46 1.37 1d6mA1 LYS 514 HD2 -0.01 0.03 -0.01 -0.04 1.69 1.66 1d6mA1 LYS 514 HD3 -0.01 -0.06 -0.01 -0.04 1.68 1.57 1d6mA1 LYS 514 HE2 -0.01 -0.06 0.01 -0.04 2.99 2.89 1d6mA1 LYS 514 HE3 -0.00 0.05 0.09 -0.04 2.99 3.08 1d6mA1 ILE 515 H 0.01 0.34 0.03 -0.55 8.25 8.08 1d6mA1 ILE 515 HA 0.01 0.05 0.43 -0.75 4.18 3.92 1d6mA1 ILE 515 HB 0.03 0.01 0.09 -0.04 1.89 1.97 1d6mA1 ILE 515 HG12 0.01 -0.03 0.00 -0.04 1.49 1.43 1d6mA1 ILE 515 HG13 0.01 -0.04 -0.05 -0.04 1.21 1.09 1d6mA1 ILE 515 HG23 0.04 -0.03 -0.01 -0.04 0.93 0.89 1d6mA1 ILE 515 HD13 0.00 0.05 -0.03 -0.04 0.88 0.86 1d6mA1 LEU 516 H 0.02 0.45 -0.17 -0.55 8.37 8.12 1d6mA1 LEU 516 HA 0.03 -0.08 0.49 -0.75 4.35 4.03 1d6mA1 LEU 516 HB2 0.02 0.12 0.08 -0.04 1.64 1.82 1d6mA1 LEU 516 HB3 0.02 0.04 -0.07 -0.04 1.64 1.59 1d6mA1 LEU 516 HG 0.04 0.01 -0.05 -0.04 1.64 1.60 1d6mA1 LEU 516 HD13 0.03 -0.05 -0.20 -0.04 0.93 0.66 1d6mA1 LEU 516 HD23 0.03 -0.00 -0.09 -0.04 0.89 0.79 1d6mA1 ARG 517 H 0.01 0.01 0.19 -0.55 8.46 8.12 1d6mA1 ARG 517 HA 0.01 0.22 0.46 -0.75 4.34 4.28 1d6mA1 ARG 517 HB2 0.01 0.04 0.17 -0.04 1.90 2.08 1d6mA1 ARG 517 HB3 0.01 -0.20 0.07 -0.04 1.80 1.65 1d6mA1 ARG 517 HG2 0.00 -0.07 0.10 -0.04 1.67 1.66 1d6mA1 ARG 517 HG3 0.00 0.12 0.09 -0.04 1.67 1.85 1d6mA1 ARG 517 HD2 0.00 -0.03 0.04 -0.04 3.22 3.19 1d6mA1 ARG 517 HD3 -0.00 -0.00 0.03 -0.04 3.22 3.21 1d6mA1 ALA 518 H 0.01 0.14 0.17 -0.55 8.40 8.17 1d6mA1 ALA 518 HA 0.01 0.17 0.40 -0.75 4.34 4.17 1d6mA1 ALA 518 HB3 0.01 0.01 0.08 -0.04 1.41 1.47 1d6mA1 THR 519 H 0.01 0.01 -0.14 -0.55 8.28 7.61 1d6mA1 THR 519 HA 0.02 0.26 0.76 -0.75 4.39 4.68 1d6mA1 THR 519 HB 0.02 -0.01 0.10 -0.04 4.32 4.38 1d6mA1 THR 519 HG23 0.02 0.00 -0.05 -0.04 1.22 1.15 1d6mA1 ASP 520 H 0.02 0.15 -0.42 -0.55 8.40 7.60 1d6mA1 ASP 520 HA 0.01 0.01 0.57 -0.75 4.63 4.47 1d6mA1 ASP 520 HB2 0.02 0.34 0.07 -0.04 2.71 3.10 1d6mA1 ASP 520 HB3 0.02 0.01 -0.05 -0.04 2.70 2.64 1d6mA1 GLY 521 H 0.01 0.13 0.15 -0.55 8.43 8.18 1d6mA1 GLY 521 HA2 0.02 -0.04 0.62 -0.51 4.01 4.09 1d6mA1 GLY 521 HA3 0.01 0.15 0.29 -0.51 4.01 3.94 1d6mA1 LEU 522 H -0.01 0.77 0.28 -0.55 8.37 8.86 1d6mA1 LEU 522 HA 0.01 0.17 0.68 -0.75 4.35 4.45 1d6mA1 LEU 522 HB2 -0.04 -0.04 0.15 -0.04 1.64 1.68 1d6mA1 LEU 522 HB3 -0.02 -0.05 -0.09 -0.04 1.64 1.44 1d6mA1 LEU 522 HG -0.03 0.08 -0.01 -0.04 1.64 1.63 1d6mA1 LEU 522 HD13 -0.06 0.00 -0.12 -0.04 0.93 0.72 1d6mA1 LEU 522 HD23 -0.00 -0.00 -0.16 -0.04 0.89 0.68 1d6mA1 GLY 523 H -0.02 0.09 -0.04 -0.55 8.43 7.92 1d6mA1 GLY 523 HA2 0.00 0.11 0.50 -0.51 4.01 4.11 1d6mA1 GLY 523 HA3 -0.01 -0.16 0.35 -0.51 4.01 3.68 1d6mA1 THR 524 H -0.00 0.19 0.17 -0.55 8.28 8.08 1d6mA1 THR 524 HA 0.00 0.22 0.47 -0.75 4.39 4.32 1d6mA1 THR 524 HB 0.01 -0.08 -0.10 -0.04 4.32 4.11 1d6mA1 THR 524 HG23 0.01 -0.07 -0.09 -0.04 1.22 1.02 1d6mA1 GLU 525 H 0.00 0.26 0.07 -0.55 8.60 8.38 1d6mA1 GLU 525 HA -0.02 0.06 0.33 -0.75 4.29 3.91 1d6mA1 GLU 525 HB2 -0.04 0.16 -0.06 -0.04 2.09 2.11 1d6mA1 GLU 525 HB3 0.00 0.06 -0.00 -0.04 1.99 2.01 1d6mA1 GLU 525 HG2 -0.00 -0.25 0.09 -0.04 2.34 2.14 1d6mA1 GLU 525 HG3 -0.01 0.12 0.11 -0.04 2.34 2.52 1d6mA1 ALA 526 H -0.02 0.08 -0.08 -0.55 8.40 7.83 1d6mA1 ALA 526 HA -0.04 0.11 0.36 -0.75 4.34 4.02 1d6mA1 ALA 526 HB3 -0.00 0.01 0.03 -0.04 1.41 1.41 1d6mA1 THR 527 H -0.00 0.15 -0.27 -0.55 8.28 7.61 1d6mA1 THR 527 HA 0.00 0.20 0.81 -0.75 4.39 4.65 1d6mA1 THR 527 HB 0.02 0.02 0.05 -0.04 4.32 4.37 1d6mA1 THR 527 HG23 0.02 0.01 -0.07 -0.04 1.22 1.13 1d6mA1 ARG 528 H -0.02 0.46 0.03 -0.55 8.46 8.38 1d6mA1 ARG 528 HA -0.01 0.03 0.30 -0.75 4.34 3.91 1d6mA1 ARG 528 HB2 -0.03 0.01 0.05 -0.04 1.90 1.89 1d6mA1 ARG 528 HB3 -0.03 0.06 -0.00 -0.04 1.80 1.78 1d6mA1 ARG 528 HG2 -0.02 -0.21 0.11 -0.04 1.67 1.52 1d6mA1 ARG 528 HG3 -0.02 0.19 -0.03 -0.04 1.67 1.76 1d6mA1 ARG 528 HD2 -0.03 0.07 -0.09 -0.04 3.22 3.12 1d6mA1 ARG 528 HD3 -0.04 0.04 -0.06 -0.04 3.22 3.12 1d6mA1 ALA 529 H -0.03 0.21 -0.21 -0.55 8.40 7.83 1d6mA1 ALA 529 HA -0.04 -0.05 0.30 -0.75 4.34 3.80 1d6mA1 ALA 529 HB3 -0.04 0.02 -0.11 -0.04 1.41 1.24 1d6mA1 GLY 530 H -0.01 0.15 -0.24 -0.55 8.43 7.78 1d6mA1 GLY 530 HA2 0.00 -0.01 0.35 -0.51 4.01 3.84 1d6mA1 GLY 530 HA3 0.01 0.08 0.33 -0.51 4.01 3.92 1d6mA1 ILE 531 H 0.01 0.57 -0.02 -0.55 8.25 8.25 1d6mA1 ILE 531 HA 0.04 -0.05 0.25 -0.75 4.18 3.67 1d6mA1 ILE 531 HB 0.00 0.08 0.06 -0.04 1.89 1.99 1d6mA1 ILE 531 HG12 0.03 -0.05 -0.04 -0.04 1.49 1.39 1d6mA1 ILE 531 HG13 0.02 0.06 0.01 -0.04 1.21 1.26 1d6mA1 ILE 531 HG23 0.02 0.00 -0.18 -0.04 0.93 0.73 1d6mA1 ILE 531 HD13 0.01 -0.03 -0.17 -0.04 0.88 0.66 1d6mA1 ILE 532 H 0.01 0.54 -0.12 -0.55 8.25 8.13 1d6mA1 ILE 532 HA 0.09 0.03 0.38 -0.75 4.18 3.92 1d6mA1 ILE 532 HB -0.00 -0.01 0.13 -0.04 1.89 1.96 1d6mA1 ILE 532 HG12 -0.01 0.02 -0.06 -0.04 1.49 1.39 1d6mA1 ILE 532 HG13 -0.01 0.19 0.03 -0.04 1.21 1.38 1d6mA1 ILE 532 HG23 0.09 -0.02 -0.08 -0.04 0.93 0.88 1d6mA1 ILE 532 HD13 -0.04 -0.04 -0.09 -0.04 0.88 0.66 1d6mA1 GLU 533 H 0.02 0.59 0.02 -0.55 8.60 8.69 1d6mA1 GLU 533 HA 0.03 -0.03 0.37 -0.75 4.29 3.91 1d6mA1 GLU 533 HB2 0.01 0.15 0.18 -0.04 2.09 2.39 1d6mA1 GLU 533 HB3 0.00 -0.02 0.00 -0.04 1.99 1.93 1d6mA1 GLU 533 HG2 -0.04 0.15 0.02 -0.04 2.34 2.44 1d6mA1 GLU 533 HG3 -0.03 -0.05 -0.05 -0.04 2.34 2.16 1d6mA1 LEU 534 H 0.05 0.59 -0.05 -0.55 8.37 8.41 1d6mA1 LEU 534 HA 0.04 0.01 0.41 -0.75 4.35 4.06 1d6mA1 LEU 534 HB2 0.04 -0.03 0.03 -0.04 1.64 1.65 1d6mA1 LEU 534 HB3 0.06 0.08 0.09 -0.04 1.64 1.83 1d6mA1 LEU 534 HG 0.05 0.01 -0.21 -0.04 1.64 1.46 1d6mA1 LEU 534 HD13 0.03 -0.00 0.00 -0.04 0.93 0.92 1d6mA1 LEU 534 HD23 0.07 -0.01 -0.07 -0.04 0.89 0.85 1d6mA1 LEU 535 H 0.10 0.48 -0.10 -0.55 8.37 8.30 1d6mA1 LEU 535 HA 0.10 0.02 0.33 -0.75 4.35 4.04 1d6mA1 LEU 535 HB2 0.11 0.16 0.10 -0.04 1.64 1.96 1d6mA1 LEU 535 HB3 0.07 -0.05 -0.07 -0.04 1.64 1.55 1d6mA1 LEU 535 HG 0.11 -0.02 0.06 -0.04 1.64 1.74 1d6mA1 LEU 535 HD13 0.04 0.01 -0.08 -0.04 0.93 0.86 1d6mA1 LEU 535 HD23 0.25 0.01 -0.02 -0.04 0.89 1.10 1d6mA1 PHE 536 H 0.30 0.41 -0.25 -0.55 8.34 8.24 1d6mA1 PHE 536 HA -0.02 0.02 0.54 -0.75 4.62 4.41 1d6mA1 PHE 536 HB2 -0.02 0.13 0.16 -0.04 3.15 3.38 1d6mA1 PHE 536 HB3 -0.02 -0.01 -0.04 -0.04 3.06 2.94 1d6mA1 PHE 536 HD2 -0.00 0.19 -0.04 -0.04 7.28 7.39 1d6mA1 PHE 536 HE2 0.00 -0.06 -0.17 -0.04 7.38 7.11 1d6mA1 PHE 536 HZ 0.01 0.00 -0.25 -0.04 7.32 7.04 1d6mA1 LYS 537 H 0.09 0.52 -0.00 -0.55 8.42 8.47 1d6mA1 LYS 537 HA 0.02 0.01 0.46 -0.75 4.32 4.06 1d6mA1 LYS 537 HB2 0.03 0.05 0.16 -0.04 1.87 2.06 1d6mA1 LYS 537 HB3 -0.01 0.03 0.16 -0.04 1.79 1.93 1d6mA1 LYS 537 HG2 -0.00 0.01 0.11 -0.04 1.46 1.54 1d6mA1 LYS 537 HG3 0.01 -0.07 0.02 -0.04 1.46 1.38 1d6mA1 LYS 537 HD2 -0.01 0.02 -0.05 -0.04 1.69 1.61 1d6mA1 LYS 537 HD3 -0.01 0.01 -0.03 -0.04 1.68 1.61 1d6mA1 LYS 537 HE2 0.00 -0.00 -0.01 -0.04 2.99 2.94 1d6mA1 LYS 537 HE3 0.01 -0.04 -0.01 -0.04 2.99 2.90 1d6mA1 ARG 538 H -0.16 0.58 -0.06 -0.55 8.46 8.27 1d6mA1 ARG 538 HA -0.24 0.08 0.32 -0.75 4.34 3.74 1d6mA1 ARG 538 HB2 -0.76 -0.02 0.02 -0.04 1.90 1.10 1d6mA1 ARG 538 HB3 -0.74 0.00 0.12 -0.04 1.80 1.15 1d6mA1 ARG 538 HG2 -0.09 0.01 0.01 -0.04 1.67 1.57 1d6mA1 ARG 538 HG3 -0.01 -0.07 -0.09 -0.04 1.67 1.45 1d6mA1 ARG 538 HD2 0.01 0.02 -0.01 -0.04 3.22 3.21 1d6mA1 ARG 538 HD3 -0.08 0.04 -0.02 -0.04 3.22 3.12 1d6mA1 GLY 539 H -0.23 0.34 -0.62 -0.55 8.43 7.38 1d6mA1 GLY 539 HA2 -0.13 0.08 0.33 -0.51 4.01 3.78 1d6mA1 GLY 539 HA3 -0.19 0.07 0.50 -0.51 4.01 3.88 1d6mA1 PHE 540 H -0.44 0.36 -0.08 -0.55 8.34 7.63 1d6mA1 PHE 540 HA -0.06 -0.06 0.66 -0.75 4.62 4.40 1d6mA1 PHE 540 HB2 -0.07 0.02 0.03 -0.04 3.15 3.09 1d6mA1 PHE 540 HB3 -0.05 -0.07 0.13 -0.04 3.06 3.03 1d6mA1 PHE 540 HD2 -0.01 -0.10 -0.20 -0.04 7.28 6.93 1d6mA1 PHE 540 HE2 0.02 -0.02 -0.06 -0.04 7.38 7.28 1d6mA1 PHE 540 HZ 0.02 0.00 0.00 -0.04 7.32 7.31 1d6mA1 LEU 541 H -0.28 0.27 -0.08 -0.55 8.37 7.73 1d6mA1 LEU 541 HA -0.22 0.26 0.89 -0.75 4.35 4.53 1d6mA1 LEU 541 HB2 -1.40 -0.06 -0.18 -0.04 1.64 -0.04 1d6mA1 LEU 541 HB3 -0.74 -0.04 -0.05 -0.04 1.64 0.77 1d6mA1 LEU 541 HG -0.13 -0.07 -0.40 -0.04 1.64 1.01 1d6mA1 LEU 541 HD13 0.00 -0.00 -0.14 -0.04 0.93 0.75 1d6mA1 LEU 541 HD23 -0.08 0.05 -0.16 -0.04 0.89 0.66 1d6mA1 THR 542 H -0.19 0.53 0.32 -0.55 8.28 8.39 1d6mA1 THR 542 HA -0.00 0.11 0.68 -0.75 4.39 4.42 1d6mA1 THR 542 HB -0.02 0.07 -0.09 -0.04 4.32 4.25 1d6mA1 THR 542 HG23 0.03 0.01 -0.21 -0.04 1.22 1.01 1d6mA1 LYS 543 H 0.25 0.17 0.13 -0.55 8.42 8.41 1d6mA1 LYS 543 HA 0.19 0.35 0.81 -0.75 4.32 4.91 1d6mA1 LYS 543 HB2 0.15 -0.05 0.11 -0.04 1.87 2.04 1d6mA1 LYS 543 HB3 0.09 0.11 -0.16 -0.04 1.79 1.78 1d6mA1 LYS 543 HG2 0.23 -0.09 -0.17 -0.04 1.46 1.39 1d6mA1 LYS 543 HG3 -0.02 -0.03 -0.09 -0.04 1.46 1.28 1d6mA1 LYS 543 HD2 0.12 0.27 -0.47 -0.04 1.69 1.57 1d6mA1 LYS 543 HD3 0.12 -0.13 -0.29 -0.04 1.68 1.33 1d6mA1 LYS 543 HE2 -0.00 0.25 -0.14 -0.04 2.99 3.06 1d6mA1 LYS 543 HE3 -0.02 -0.02 -0.40 -0.04 2.99 2.51 1d6mA1 LYS 544 H 0.12 0.80 0.16 -0.55 8.42 8.94 1d6mA1 LYS 544 HA 0.12 0.10 0.82 -0.75 4.32 4.61 1d6mA1 LYS 544 HB2 0.43 0.06 0.01 -0.04 1.87 2.33 1d6mA1 LYS 544 HB3 0.22 -0.03 0.11 -0.04 1.79 2.05 1d6mA1 LYS 544 HG2 0.11 -0.01 0.08 -0.04 1.46 1.60 1d6mA1 LYS 544 HG3 0.14 0.01 -0.10 -0.04 1.46 1.47 1d6mA1 LYS 544 HD2 0.01 0.01 -0.02 -0.04 1.69 1.64 1d6mA1 LYS 544 HD3 0.22 0.01 -0.02 -0.04 1.68 1.85 1d6mA1 LYS 544 HE2 0.11 -0.03 0.00 -0.04 2.99 3.03 1d6mA1 LYS 544 HE3 0.06 0.00 -0.00 -0.04 2.99 3.01 1d6mA1 GLY 545 H 0.07 0.18 0.06 -0.55 8.43 8.19 1d6mA1 GLY 545 HA2 0.04 0.06 0.34 -0.51 4.01 3.93 1d6mA1 GLY 545 HA3 0.07 0.02 0.32 -0.51 4.01 3.92 1d6mA1 ARG 546 H -0.15 0.16 0.24 -0.55 8.46 8.16 1d6mA1 ARG 546 HA -0.12 0.12 0.68 -0.75 4.34 4.27 1d6mA1 ARG 546 HB2 -0.22 -0.01 0.11 -0.04 1.90 1.74 1d6mA1 ARG 546 HB3 -0.56 0.03 0.07 -0.04 1.80 1.30 1d6mA1 ARG 546 HG2 -0.14 -0.12 0.14 -0.04 1.67 1.51 1d6mA1 ARG 546 HG3 -0.10 0.05 0.03 -0.04 1.67 1.60 1d6mA1 ARG 546 HD2 -0.09 0.08 -0.01 -0.04 3.22 3.16 1d6mA1 ARG 546 HD3 -0.16 0.03 0.02 -0.04 3.22 3.07 1d6mA1 TYR 547 H 0.01 0.66 -0.09 -0.55 8.29 8.33 1d6mA1 TYR 547 HA -0.01 0.16 1.04 -0.75 4.56 4.99 1d6mA1 TYR 547 HB2 -0.17 0.10 0.16 -0.04 3.06 3.11 1d6mA1 TYR 547 HB3 -0.26 0.07 -0.08 -0.04 2.98 2.67 1d6mA1 TYR 547 HD2 0.01 0.18 -0.11 -0.04 7.15 7.19 1d6mA1 TYR 547 HE2 0.01 -0.00 -0.03 -0.04 6.85 6.79 1d6mA1 ILE 548 H 0.14 0.62 0.22 -0.55 8.25 8.69 1d6mA1 ILE 548 HA 0.18 0.09 0.61 -0.75 4.18 4.31 1d6mA1 ILE 548 HB 0.17 0.00 -0.09 -0.04 1.89 1.93 1d6mA1 ILE 548 HG12 0.40 0.02 -0.17 -0.04 1.49 1.70 1d6mA1 ILE 548 HG13 0.13 -0.03 -0.24 -0.04 1.21 1.04 1d6mA1 ILE 548 HG23 0.11 -0.02 -0.22 -0.04 0.93 0.76 1d6mA1 ILE 548 HD13 0.09 -0.03 -0.29 -0.04 0.88 0.61 1d6mA1 HIS 549 H 0.09 0.58 0.38 -0.55 8.41 8.90 1d6mA1 HIS 549 HA -0.02 0.15 0.99 -0.75 4.63 5.00 1d6mA1 HIS 549 HB2 -0.04 0.16 0.04 -0.04 3.26 3.39 1d6mA1 HIS 549 HB3 -0.08 0.08 -0.26 -0.04 3.20 2.90 1d6mA1 HIS 549 HD2 -0.48 0.00 0.06 -0.04 6.97 6.50 1d6mA1 HIS 549 HE1 -0.17 -0.04 -0.03 -0.04 7.75 7.47 1d6mA1 SER 550 H 0.09 0.18 0.15 -0.55 8.46 8.34 1d6mA1 SER 550 HA -0.03 0.18 0.59 -0.75 4.49 4.48 1d6mA1 SER 550 HB2 -0.05 0.03 0.05 -0.04 3.95 3.94 1d6mA1 SER 550 HB3 -0.02 -0.01 -0.08 -0.04 3.93 3.77 1d6mA1 THR 551 H 0.00 0.42 0.19 -0.55 8.28 8.34 1d6mA1 THR 551 HA -0.02 0.21 0.72 -0.75 4.39 4.55 1d6mA1 THR 551 HB 0.01 -0.11 0.11 -0.04 4.32 4.29 1d6mA1 THR 551 HG23 -0.04 0.04 -0.29 -0.04 1.22 0.89 1d6mA1 ASP 552 H 0.01 0.19 0.14 -0.55 8.40 8.20 1d6mA1 ASP 552 HA 0.04 0.10 0.30 -0.75 4.63 4.32 1d6mA1 ASP 552 HB2 0.02 -0.02 0.19 -0.04 2.71 2.86 1d6mA1 ASP 552 HB3 0.04 0.06 0.02 -0.04 2.70 2.78 1d6mA1 ALA 553 H 0.07 0.12 -0.06 -0.55 8.40 7.98 1d6mA1 ALA 553 HA 0.08 0.08 0.45 -0.75 4.34 4.20 1d6mA1 ALA 553 HB3 0.18 0.05 0.03 -0.04 1.41 1.63 1d6mA1 GLY 554 H 0.13 0.08 -0.22 -0.55 8.43 7.88 1d6mA1 GLY 554 HA2 -0.20 0.02 0.45 -0.51 4.01 3.77 1d6mA1 GLY 554 HA3 0.04 0.12 0.42 -0.51 4.01 4.08 1d6mA1 LYS 555 H 0.03 0.82 -0.04 -0.55 8.42 8.68 1d6mA1 LYS 555 HA 0.00 -0.03 0.39 -0.75 4.32 3.93 1d6mA1 LYS 555 HB2 0.06 0.12 0.04 -0.04 1.87 2.04 1d6mA1 LYS 555 HB3 0.14 0.02 -0.02 -0.04 1.79 1.89 1d6mA1 LYS 555 HG2 0.07 -0.03 0.02 -0.04 1.46 1.48 1d6mA1 LYS 555 HG3 0.02 -0.03 -0.07 -0.04 1.46 1.34 1d6mA1 LYS 555 HD2 0.09 -0.01 -0.07 -0.04 1.69 1.66 1d6mA1 LYS 555 HD3 0.17 0.00 -0.05 -0.04 1.68 1.76 1d6mA1 LYS 555 HE2 0.05 0.00 -0.07 -0.04 2.99 2.93 1d6mA1 LYS 555 HE3 0.05 -0.01 -0.07 -0.04 2.99 2.92 1d6mA1 ALA 556 H 0.07 0.81 -0.02 -0.55 8.40 8.71 1d6mA1 ALA 556 HA 0.12 -0.02 0.39 -0.75 4.34 4.08 1d6mA1 ALA 556 HB3 0.05 0.00 0.10 -0.04 1.41 1.52 1d6mA1 LEU 557 H -0.06 0.70 -0.03 -0.55 8.37 8.43 1d6mA1 LEU 557 HA -0.07 0.01 0.31 -0.75 4.35 3.83 1d6mA1 LEU 557 HB2 -0.24 -0.03 0.10 -0.04 1.64 1.44 1d6mA1 LEU 557 HB3 -0.38 0.04 0.19 -0.04 1.64 1.45 1d6mA1 LEU 557 HG -0.22 0.01 -0.23 -0.04 1.64 1.16 1d6mA1 LEU 557 HD13 -0.10 -0.01 -0.08 -0.04 0.93 0.70 1d6mA1 LEU 557 HD23 -0.65 -0.00 -0.01 -0.04 0.89 0.19 1d6mA1 PHE 558 H 0.00 0.56 -0.11 -0.55 8.34 8.24 1d6mA1 PHE 558 HA -0.17 -0.07 0.33 -0.75 4.62 3.95 1d6mA1 PHE 558 HB2 -0.20 -0.05 0.09 -0.04 3.15 2.95 1d6mA1 PHE 558 HB3 -0.33 0.28 0.23 -0.04 3.06 3.20 1d6mA1 PHE 558 HD2 -0.60 0.01 0.00 -0.04 7.28 6.65 1d6mA1 PHE 558 HE2 -0.12 -0.01 -0.06 -0.04 7.38 7.15 1d6mA1 PHE 558 HZ -0.04 -0.04 -0.06 -0.04 7.32 7.13 1d6mA1 HIS 559 H -0.09 0.54 -0.05 -0.55 8.41 8.27 1d6mA1 HIS 559 HA -0.39 0.01 0.34 -0.75 4.63 3.84 1d6mA1 HIS 559 HB2 -0.02 0.10 0.14 -0.04 3.26 3.45 1d6mA1 HIS 559 HB3 -0.07 -0.06 0.09 -0.04 3.20 3.11 1d6mA1 HIS 559 HD2 -0.21 0.01 -0.01 -0.04 6.97 6.71 1d6mA1 HIS 559 HE1 0.17 -0.06 -0.04 -0.04 7.75 7.77 1d6mA1 SER 560 H -0.05 0.44 -0.29 -0.55 8.46 8.01 1d6mA1 SER 560 HA -0.05 -0.00 0.52 -0.75 4.49 4.20 1d6mA1 SER 560 HB2 -0.08 0.13 0.05 -0.04 3.95 4.01 1d6mA1 SER 560 HB3 -0.05 -0.08 0.06 -0.04 3.93 3.82 1d6mA1 LEU 561 H -0.22 0.59 -0.14 -0.55 8.37 8.06 1d6mA1 LEU 561 HA -0.40 0.15 0.95 -0.75 4.35 4.30 1d6mA1 LEU 561 HB2 -0.22 0.07 0.00 -0.04 1.64 1.45 1d6mA1 LEU 561 HB3 -0.33 -0.11 -0.03 -0.04 1.64 1.12 1d6mA1 LEU 561 HG -0.22 0.11 -0.19 -0.04 1.64 1.30 1d6mA1 LEU 561 HD13 -0.10 -0.04 -0.18 -0.04 0.93 0.56 1d6mA1 LEU 561 HD23 -0.60 -0.01 -0.10 -0.04 0.89 0.14 1d6mA1 PRO 562 HA -0.10 0.16 0.42 -0.51 4.44 4.42 1d6mA1 PRO 562 HB2 0.01 -0.19 -0.12 -0.04 2.28 1.93 1d6mA1 PRO 562 HB3 0.00 0.13 0.04 -0.04 2.02 2.15 1d6mA1 PRO 562 HG2 0.07 -0.12 0.00 -0.04 2.03 1.94 1d6mA1 PRO 562 HG3 0.18 0.12 0.03 -0.04 2.03 2.31 1d6mA1 PRO 562 HD2 -0.61 0.05 0.17 -0.04 3.68 3.26 1d6mA1 PRO 562 HD3 -0.38 0.30 0.20 -0.04 3.65 3.73 1d6mA1 GLU 563 H -0.06 0.19 0.14 -0.55 8.60 8.32 1d6mA1 GLU 563 HA -0.05 0.12 0.24 -0.75 4.29 3.85 1d6mA1 GLU 563 HB2 -0.01 -0.04 0.18 -0.04 2.09 2.18 1d6mA1 GLU 563 HB3 0.00 -0.02 0.04 -0.04 1.99 1.97 1d6mA1 GLU 563 HG2 -0.05 0.08 0.07 -0.04 2.34 2.40 1d6mA1 GLU 563 HG3 -0.01 0.03 0.06 -0.04 2.34 2.38 1d6mA1 MET 564 H 0.01 0.11 -0.11 -0.55 8.47 7.94 1d6mA1 MET 564 HA 0.01 -0.04 0.31 -0.75 4.52 4.05 1d6mA1 MET 564 HB2 0.03 -0.02 0.07 -0.04 2.15 2.19 1d6mA1 MET 564 HB3 0.08 0.09 -0.10 -0.04 2.03 2.06 1d6mA1 MET 564 HG2 0.04 0.03 -0.01 -0.04 2.63 2.65 1d6mA1 MET 564 HG3 0.06 0.02 -0.04 -0.04 2.56 2.56 1d6mA1 MET 564 HE3 -0.05 -0.01 0.02 -0.04 2.10 2.01 1d6mA1 ALA 565 H 0.03 0.45 -0.34 -0.55 8.40 7.99 1d6mA1 ALA 565 HA 0.16 0.09 0.87 -0.75 4.34 4.71 1d6mA1 ALA 565 HB3 0.15 0.02 0.01 -0.04 1.41 1.54 1d6mA1 THR 566 H 0.02 0.47 0.01 -0.55 8.28 8.23 1d6mA1 THR 566 HA 0.08 0.12 0.76 -0.75 4.39 4.59 1d6mA1 THR 566 HB 0.41 -0.11 0.09 -0.04 4.32 4.67 1d6mA1 THR 566 HG23 0.05 0.01 -0.13 -0.04 1.22 1.11 1d6mA1 ARG 567 H 0.04 0.26 -0.10 -0.55 8.46 8.10 1d6mA1 ARG 567 HA 0.06 0.25 0.89 -0.75 4.34 4.79 1d6mA1 ARG 567 HB2 0.01 -0.09 -0.01 -0.04 1.90 1.77 1d6mA1 ARG 567 HB3 0.03 -0.05 0.08 -0.04 1.80 1.82 1d6mA1 ARG 567 HG2 0.09 0.08 -0.14 -0.04 1.67 1.65 1d6mA1 ARG 567 HG3 0.04 0.19 -0.07 -0.04 1.67 1.78 1d6mA1 ARG 567 HD2 0.04 -0.01 -0.04 -0.04 3.22 3.17 1d6mA1 ARG 567 HD3 0.03 -0.11 -0.03 -0.04 3.22 3.07 1d6mA1 PRO 568 HA -0.03 0.10 0.31 -0.51 4.44 4.31 1d6mA1 PRO 568 HB2 0.02 -0.02 -0.14 -0.04 2.28 2.10 1d6mA1 PRO 568 HB3 -0.01 0.07 -0.02 -0.04 2.02 2.02 1d6mA1 PRO 568 HG2 0.06 -0.04 -0.12 -0.04 2.03 1.89 1d6mA1 PRO 568 HG3 0.08 0.14 -0.09 -0.04 2.03 2.12 1d6mA1 PRO 568 HD2 0.05 0.12 0.21 -0.04 3.68 4.02 1d6mA1 PRO 568 HD3 0.03 0.24 0.15 -0.04 3.65 4.03 1d6mA1 ASP 569 H -0.02 0.13 -0.25 -0.55 8.40 7.72 1d6mA1 ASP 569 HA -0.04 0.03 0.28 -0.75 4.63 4.13 1d6mA1 ASP 569 HB2 -0.07 0.08 0.05 -0.04 2.71 2.73 1d6mA1 ASP 569 HB3 -0.07 0.02 0.01 -0.04 2.70 2.62 1d6mA1 MET 570 H -0.17 0.25 -0.13 -0.55 8.47 7.88 1d6mA1 MET 570 HA -0.50 0.03 0.42 -0.75 4.52 3.71 1d6mA1 MET 570 HB2 -0.25 0.15 0.19 -0.04 2.15 2.20 1d6mA1 MET 570 HB3 -0.64 0.03 0.07 -0.04 2.03 1.45 1d6mA1 MET 570 HG2 -0.20 0.02 0.06 -0.04 2.63 2.47 1d6mA1 MET 570 HG3 -0.43 0.03 0.01 -0.04 2.56 2.13 1d6mA1 MET 570 HE3 -0.15 -0.01 0.00 -0.04 2.10 1.91 1d6mA1 THR 571 H -0.25 0.22 -0.05 -0.55 8.28 7.64 1d6mA1 THR 571 HA 0.07 -0.00 0.48 -0.75 4.39 4.18 1d6mA1 THR 571 HB -0.00 0.03 0.07 -0.04 4.32 4.38 1d6mA1 THR 571 HG23 0.18 -0.03 0.01 -0.04 1.22 1.35 1d6mA1 ALA 572 H -0.08 0.79 -0.10 -0.55 8.40 8.47 1d6mA1 ALA 572 HA 0.01 0.05 0.23 -0.75 4.34 3.87 1d6mA1 ALA 572 HB3 -0.00 -0.01 -0.11 -0.04 1.41 1.25 1d6mA1 HIS 573 H -0.03 0.52 -0.16 -0.55 8.41 8.20 1d6mA1 HIS 573 HA -0.02 -0.01 0.47 -0.75 4.63 4.31 1d6mA1 HIS 573 HB2 -0.13 -0.05 0.12 -0.04 3.26 3.16 1d6mA1 HIS 573 HB3 -0.35 0.25 0.22 -0.04 3.20 3.28 1d6mA1 HIS 573 HD2 -0.14 0.02 -0.04 -0.04 6.97 6.76 1d6mA1 HIS 573 HE1 0.06 0.00 -0.02 -0.04 7.75 7.75 1d6mA1 TRP 574 H -0.18 0.48 -0.01 -0.55 7.97 7.72 1d6mA1 TRP 574 HA -0.04 -0.03 0.34 -0.75 4.62 4.14 1d6mA1 TRP 574 HB2 0.05 0.07 0.21 -0.04 3.23 3.52 1d6mA1 TRP 574 HB3 0.23 -0.07 0.03 -0.04 3.23 3.37 1d6mA1 TRP 574 HD1 0.13 -0.03 -0.00 -0.04 7.22 7.27 1d6mA1 TRP 574 HE1 0.07 0.01 -0.04 -0.04 10.20 10.20 1d6mA1 TRP 574 HE3 -0.04 -0.02 -0.02 -0.04 7.59 7.46 1d6mA1 TRP 574 HZ2 0.07 0.02 0.01 -0.04 7.44 7.49 1d6mA1 TRP 574 HZ3 -0.34 0.01 -0.03 -0.04 7.13 6.72 1d6mA1 TRP 574 HH2 0.17 0.03 -0.04 -0.04 7.19 7.31 1d6mA1 GLU 575 H 0.17 0.70 -0.01 -0.55 8.60 8.91 1d6mA1 GLU 575 HA 0.02 -0.11 0.30 -0.75 4.29 3.75 1d6mA1 GLU 575 HB2 0.03 0.15 0.17 -0.04 2.09 2.40 1d6mA1 GLU 575 HB3 0.02 -0.08 0.11 -0.04 1.99 2.00 1d6mA1 GLU 575 HG2 0.12 0.16 0.15 -0.04 2.34 2.73 1d6mA1 GLU 575 HG3 0.04 0.12 0.20 -0.04 2.34 2.67 1d6mA1 SER 576 H -0.01 0.52 -0.19 -0.55 8.46 8.23 1d6mA1 SER 576 HA -0.02 -0.06 0.47 -0.75 4.49 4.14 1d6mA1 SER 576 HB2 0.00 -0.05 0.17 -0.04 3.95 4.04 1d6mA1 SER 576 HB3 -0.04 0.28 0.28 -0.04 3.93 4.41 1d6mA1 VAL 577 H -0.10 0.47 0.02 -0.55 8.24 8.09 1d6mA1 VAL 577 HA -0.04 -0.02 0.29 -0.75 4.13 3.60 1d6mA1 VAL 577 HB 0.09 0.12 0.15 -0.04 2.12 2.43 1d6mA1 VAL 577 HG13 0.11 -0.02 -0.06 -0.04 0.97 0.97 1d6mA1 VAL 577 HG23 -0.13 0.06 0.05 -0.04 0.95 0.89 1d6mA1 LEU 578 H -0.19 0.58 -0.15 -0.55 8.37 8.07 1d6mA1 LEU 578 HA -0.48 -0.05 0.39 -0.75 4.35 3.46 1d6mA1 LEU 578 HB2 -0.15 0.12 0.12 -0.04 1.64 1.69 1d6mA1 LEU 578 HB3 -0.17 -0.07 0.01 -0.04 1.64 1.36 1d6mA1 LEU 578 HG -0.76 0.03 -0.09 -0.04 1.64 0.78 1d6mA1 LEU 578 HD13 -0.05 -0.02 -0.04 -0.04 0.93 0.78 1d6mA1 LEU 578 HD23 -0.50 0.01 -0.08 -0.04 0.89 0.28 1d6mA1 THR 579 H -0.08 0.73 -0.04 -0.55 8.28 8.35 1d6mA1 THR 579 HA -0.04 -0.07 0.59 -0.75 4.39 4.11 1d6mA1 THR 579 HB -0.03 0.25 0.26 -0.04 4.32 4.75 1d6mA1 THR 579 HG23 -0.01 -0.03 -0.07 -0.04 1.22 1.07 1d6mA1 GLN 580 H -0.06 0.52 -0.11 -0.55 8.47 8.27 1d6mA1 GLN 580 HA -0.02 -0.01 0.30 -0.75 4.36 3.87 1d6mA1 GLN 580 HB2 -0.04 0.14 0.09 -0.04 2.15 2.30 1d6mA1 GLN 580 HB3 -0.01 -0.01 -0.22 -0.04 2.02 1.73 1d6mA1 GLN 580 HG2 -0.01 -0.03 -0.02 -0.04 2.40 2.31 1d6mA1 GLN 580 HG3 -0.02 0.02 -0.06 -0.04 2.39 2.29 1d6mA1 GLN 580 HE21 0.02 -0.01 -0.08 -0.04 6.97 6.85 1d6mA1 GLN 580 HE22 -0.00 -0.02 -0.20 -0.04 7.69 7.43 1d6mA1 ILE 581 H -0.10 0.40 -0.35 -0.55 8.25 7.65 1d6mA1 ILE 581 HA -0.02 0.21 0.41 -0.75 4.18 4.02 1d6mA1 ILE 581 HB -0.09 0.07 0.13 -0.04 1.89 1.96 1d6mA1 ILE 581 HG12 -0.19 0.31 0.01 -0.04 1.49 1.57 1d6mA1 ILE 581 HG13 -0.27 -0.03 -0.01 -0.04 1.21 0.86 1d6mA1 ILE 581 HG23 0.01 -0.02 -0.19 -0.04 0.93 0.69 1d6mA1 ILE 581 HD13 -0.03 -0.05 -0.36 -0.04 0.88 0.40 1d6mA1 SER 582 H -0.04 0.32 -0.14 -0.55 8.46 8.06 1d6mA1 SER 582 HA -0.00 0.03 0.28 -0.75 4.49 4.04 1d6mA1 SER 582 HB2 0.01 -0.10 0.05 -0.04 3.95 3.87 1d6mA1 SER 582 HB3 -0.01 -0.04 0.12 -0.04 3.93 3.96 1d6mA1 GLU 583 H -0.02 0.24 -0.41 -0.55 8.60 7.86 1d6mA1 GLU 583 HA -0.02 0.18 0.88 -0.75 4.29 4.58 1d6mA1 GLU 583 HB2 -0.02 -0.01 0.01 -0.04 2.09 2.03 1d6mA1 GLU 583 HB3 -0.02 0.01 0.13 -0.04 1.99 2.06 1d6mA1 GLU 583 HG2 -0.02 -0.01 -0.02 -0.04 2.34 2.25 1d6mA1 GLU 583 HG3 -0.01 -0.02 -0.19 -0.04 2.34 2.08 1d6mA1 LYS 584 H -0.01 0.28 -0.26 -0.55 8.42 7.87 1d6mA1 LYS 584 HA -0.00 0.09 0.36 -0.75 4.32 4.01 1d6mA1 LYS 584 HB2 -0.02 -0.01 -0.49 -0.04 1.87 1.31 1d6mA1 LYS 584 HB3 -0.01 0.05 0.22 -0.04 1.79 2.01 1d6mA1 LYS 584 HG2 -0.01 -0.04 0.11 -0.04 1.46 1.48 1d6mA1 LYS 584 HG3 -0.01 -0.02 0.10 -0.04 1.46 1.49 1d6mA1 LYS 584 HD2 -0.02 -0.03 -0.00 -0.04 1.69 1.59 1d6mA1 LYS 584 HD3 -0.03 0.05 -0.04 -0.04 1.68 1.62 1d6mA1 LYS 584 HE2 -0.03 0.01 0.01 -0.04 2.99 2.94 1d6mA1 LYS 584 HE3 -0.02 -0.00 0.03 -0.04 2.99 2.95 1d6mA1 GLN 585 H -0.01 0.43 -0.06 -0.55 8.47 8.29 1d6mA1 GLN 585 HA 0.00 0.17 0.82 -0.75 4.36 4.60 1d6mA1 GLN 585 HB2 -0.01 -0.02 0.07 -0.04 2.15 2.16 1d6mA1 GLN 585 HB3 0.00 -0.04 0.18 -0.04 2.02 2.12 1d6mA1 GLN 585 HG2 -0.01 -0.04 -0.02 -0.04 2.40 2.29 1d6mA1 GLN 585 HG3 -0.01 0.09 -0.31 -0.04 2.39 2.12 1d6mA1 GLN 585 HE21 -0.02 -0.05 0.00 -0.04 6.97 6.86 1d6mA1 GLN 585 HE22 -0.02 0.01 -0.03 -0.04 7.69 7.61 1d6mA1 CYS 586 H 0.01 0.26 -0.33 -0.55 8.50 7.89 1d6mA1 CYS 586 HA 0.03 0.00 0.37 -0.75 4.58 4.23 1d6mA1 CYS 586 HB2 0.02 0.27 -0.15 -0.04 2.97 3.06 1d6mA1 CYS 586 HB3 -0.00 -0.07 -0.48 -0.04 2.97 2.38 1d6mA1 ARG 587 H 0.06 0.13 0.09 -0.55 8.46 8.18 1d6mA1 ARG 587 HA 0.07 0.31 1.01 -0.75 4.34 4.97 1d6mA1 ARG 587 HB2 0.09 -0.12 0.06 -0.04 1.90 1.89 1d6mA1 ARG 587 HB3 0.06 0.12 0.10 -0.04 1.80 2.04 1d6mA1 ARG 587 HG2 0.04 0.09 -0.05 -0.04 1.67 1.71 1d6mA1 ARG 587 HG3 0.06 -0.06 0.06 -0.04 1.67 1.69 1d6mA1 ARG 587 HD2 0.05 0.02 -0.01 -0.04 3.22 3.24 1d6mA1 ARG 587 HD3 0.06 -0.05 0.01 -0.04 3.22 3.20 1d6mA1 TYR 588 H 0.20 0.21 0.12 -0.55 8.29 8.27 1d6mA1 TYR 588 HA 0.09 0.10 0.33 -0.75 4.56 4.34 1d6mA1 TYR 588 HB2 0.02 0.06 0.14 -0.04 3.06 3.24 1d6mA1 TYR 588 HB3 0.03 -0.05 0.17 -0.04 2.98 3.10 1d6mA1 TYR 588 HD2 0.02 0.00 -0.04 -0.04 7.15 7.09 1d6mA1 TYR 588 HE2 -0.03 0.03 -0.09 -0.04 6.85 6.72 1d6mA1 GLN 589 H 0.23 0.14 -0.07 -0.55 8.47 8.22 1d6mA1 GLN 589 HA 0.02 0.04 0.36 -0.75 4.36 4.02 1d6mA1 GLN 589 HB2 0.10 0.00 0.07 -0.04 2.15 2.28 1d6mA1 GLN 589 HB3 0.08 0.06 0.06 -0.04 2.02 2.18 1d6mA1 GLN 589 HG2 0.22 -0.05 0.07 -0.04 2.40 2.59 1d6mA1 GLN 589 HG3 0.11 0.07 0.03 -0.04 2.39 2.57 1d6mA1 GLN 589 HE21 0.34 0.07 -0.02 -0.04 6.97 7.32 1d6mA1 GLN 589 HE22 0.29 -0.02 -0.00 -0.04 7.69 7.92 1d6mA1 ASP 590 H 0.08 0.19 -0.36 -0.55 8.40 7.76 1d6mA1 ASP 590 HA 0.05 0.08 0.45 -0.75 4.63 4.46 1d6mA1 ASP 590 HB2 0.08 0.04 0.10 -0.04 2.71 2.88 1d6mA1 ASP 590 HB3 0.07 0.05 0.13 -0.04 2.70 2.91 1d6mA1 PHE 591 H 0.08 0.39 -0.25 -0.55 8.34 8.00 1d6mA1 PHE 591 HA 0.00 0.16 0.82 -0.75 4.62 4.85 1d6mA1 PHE 591 HB2 -0.04 0.01 -0.08 -0.04 3.15 3.00 1d6mA1 PHE 591 HB3 -0.13 0.07 0.07 -0.04 3.06 3.03 1d6mA1 PHE 591 HD2 -0.14 0.01 -0.04 -0.04 7.28 7.07 1d6mA1 PHE 591 HE2 -0.12 0.03 -0.06 -0.04 7.38 7.18 1d6mA1 PHE 591 HZ -0.24 -0.02 -0.08 -0.04 7.32 6.94 1d6mA1 MET 592 H -0.22 0.55 0.19 -0.55 8.47 8.44 1d6mA1 MET 592 HA -0.63 0.04 0.43 -0.75 4.52 3.61 1d6mA1 MET 592 HB2 -0.76 0.03 0.06 -0.04 2.15 1.45 1d6mA1 MET 592 HB3 -0.26 0.02 0.00 -0.04 2.03 1.75 1d6mA1 MET 592 HG2 -0.07 0.03 -0.04 -0.04 2.63 2.51 1d6mA1 MET 592 HG3 -0.17 -0.02 0.05 -0.04 2.56 2.37 1d6mA1 MET 592 HE3 -0.31 -0.00 -0.06 -0.04 2.10 1.68 1d6mA1 GLN 593 H -0.08 0.50 -0.00 -0.55 8.47 8.34 1d6mA1 GLN 593 HA -0.01 0.02 0.41 -0.75 4.36 4.03 1d6mA1 GLN 593 HB2 0.01 0.10 0.15 -0.04 2.15 2.37 1d6mA1 GLN 593 HB3 0.02 -0.04 0.06 -0.04 2.02 2.02 1d6mA1 GLN 593 HG2 0.03 -0.03 0.05 -0.04 2.40 2.41 1d6mA1 GLN 593 HG3 0.01 0.08 0.19 -0.04 2.39 2.63 1d6mA1 GLN 593 HE21 0.04 -0.01 -0.01 -0.04 6.97 6.95 1d6mA1 GLN 593 HE22 0.06 -0.06 0.02 -0.04 7.69 7.67 1d6mA1 PRO 594 HA 0.05 -0.00 0.34 -0.51 4.44 4.32 1d6mA1 PRO 594 HB2 0.15 0.03 -0.08 -0.04 2.28 2.34 1d6mA1 PRO 594 HB3 0.09 -0.00 0.05 -0.04 2.02 2.11 1d6mA1 PRO 594 HG2 0.02 0.20 -0.07 -0.04 2.03 2.13 1d6mA1 PRO 594 HG3 0.08 0.13 -0.01 -0.04 2.03 2.19 1d6mA1 PRO 594 HD2 -0.05 -0.06 -0.49 -0.04 3.68 3.04 1d6mA1 PRO 594 HD3 0.02 0.10 0.01 -0.04 3.65 3.74 1d6mA1 LEU 595 H -0.25 0.43 -0.30 -0.55 8.37 7.71 1d6mA1 LEU 595 HA -0.02 -0.00 0.40 -0.75 4.35 3.97 1d6mA1 LEU 595 HB2 -0.94 0.08 0.09 -0.04 1.64 0.84 1d6mA1 LEU 595 HB3 -0.52 0.07 0.17 -0.04 1.64 1.32 1d6mA1 LEU 595 HG -0.83 -0.04 -0.00 -0.04 1.64 0.73 1d6mA1 LEU 595 HD13 -0.28 0.00 -0.20 -0.04 0.93 0.41 1d6mA1 LEU 595 HD23 -1.60 -0.01 0.01 -0.04 0.89 -0.76 1d6mA1 VAL 596 H -0.13 0.50 -0.05 -0.55 8.24 8.01 1d6mA1 VAL 596 HA -0.08 -0.01 0.40 -0.75 4.13 3.69 1d6mA1 VAL 596 HB 0.00 0.27 0.28 -0.04 2.12 2.63 1d6mA1 VAL 596 HG13 0.10 -0.02 -0.07 -0.04 0.97 0.94 1d6mA1 VAL 596 HG23 -0.02 -0.01 0.05 -0.04 0.95 0.93 1d6mA1 GLY 597 H 0.07 0.61 -0.04 -0.55 8.43 8.53 1d6mA1 GLY 597 HA2 0.25 -0.04 0.30 -0.51 4.01 4.01 1d6mA1 GLY 597 HA3 0.11 0.05 0.29 -0.51 4.01 3.94 1d6mA1 THR 598 H 0.15 0.60 -0.20 -0.55 8.28 8.28 1d6mA1 THR 598 HA 0.15 -0.07 0.49 -0.75 4.39 4.21 1d6mA1 THR 598 HB 0.44 0.16 0.13 -0.04 4.32 5.01 1d6mA1 THR 598 HG23 0.27 -0.04 0.02 -0.04 1.22 1.43 1d6mA1 LEU 599 H 0.06 0.58 -0.03 -0.55 8.37 8.42 1d6mA1 LEU 599 HA -0.01 -0.04 0.39 -0.75 4.35 3.93 1d6mA1 LEU 599 HB2 -0.20 0.17 0.22 -0.04 1.64 1.79 1d6mA1 LEU 599 HB3 -0.22 -0.06 0.05 -0.04 1.64 1.36 1d6mA1 LEU 599 HG -0.06 0.18 0.01 -0.04 1.64 1.73 1d6mA1 LEU 599 HD13 -0.14 -0.04 -0.09 -0.04 0.93 0.62 1d6mA1 LEU 599 HD23 -0.04 -0.03 -0.06 -0.04 0.89 0.72 1d6mA1 TYR 600 H -0.00 0.37 -0.13 -0.55 8.29 7.97 1d6mA1 TYR 600 HA -0.04 0.01 0.40 -0.75 4.56 4.18 1d6mA1 TYR 600 HB2 -0.00 0.19 0.19 -0.04 3.06 3.39 1d6mA1 TYR 600 HB3 -0.01 -0.04 0.02 -0.04 2.98 2.91 1d6mA1 TYR 600 HD2 -0.02 0.01 -0.04 -0.04 7.15 7.06 1d6mA1 TYR 600 HE2 -0.02 -0.00 -0.05 -0.04 6.85 6.73 1d6mA1 GLN 601 H 0.15 0.45 -0.03 -0.55 8.47 8.50 1d6mA1 GLN 601 HA 0.07 -0.04 0.34 -0.75 4.36 3.97 1d6mA1 GLN 601 HB2 0.09 0.17 0.28 -0.04 2.15 2.65 1d6mA1 GLN 601 HB3 0.06 -0.07 0.04 -0.04 2.02 2.01 1d6mA1 GLN 601 HG2 0.09 0.15 0.08 -0.04 2.40 2.68 1d6mA1 GLN 601 HG3 0.06 -0.05 0.02 -0.04 2.39 2.38 1d6mA1 GLN 601 HE21 0.02 -0.02 -0.00 -0.04 6.97 6.92 1d6mA1 GLN 601 HE22 0.03 0.01 -0.01 -0.04 7.69 7.68 1d6mA1 LEU 602 H 0.07 0.99 0.04 -0.55 8.37 8.94 1d6mA1 LEU 602 HA 0.06 -0.11 0.39 -0.75 4.35 3.94 1d6mA1 LEU 602 HB2 0.09 0.30 0.13 -0.04 1.64 2.12 1d6mA1 LEU 602 HB3 -0.03 0.03 0.00 -0.04 1.64 1.60 1d6mA1 LEU 602 HG 0.14 -0.02 -0.04 -0.04 1.64 1.68 1d6mA1 LEU 602 HD13 0.14 -0.01 -0.04 -0.04 0.93 0.98 1d6mA1 LEU 602 HD23 0.37 -0.01 -0.10 -0.04 0.89 1.11 1d6mA1 ILE 603 H -0.06 0.81 -0.03 -0.55 8.25 8.42 1d6mA1 ILE 603 HA -0.18 -0.01 0.48 -0.75 4.18 3.71 1d6mA1 ILE 603 HB -0.08 0.08 0.18 -0.04 1.89 2.03 1d6mA1 ILE 603 HG12 -0.25 -0.04 0.00 -0.04 1.49 1.16 1d6mA1 ILE 603 HG13 -0.21 0.02 0.04 -0.04 1.21 1.01 1d6mA1 ILE 603 HG23 -0.11 -0.02 -0.06 -0.04 0.93 0.70 1d6mA1 ILE 603 HD13 -0.25 -0.03 -0.14 -0.04 0.88 0.42 1d6mA1 ASP 604 H 0.01 0.69 0.02 -0.55 8.40 8.57 1d6mA1 ASP 604 HA 0.00 -0.03 0.39 -0.75 4.63 4.24 1d6mA1 ASP 604 HB2 0.04 0.05 0.12 -0.04 2.71 2.87 1d6mA1 ASP 604 HB3 0.03 0.08 0.18 -0.04 2.70 2.95 1d6mA1 GLN 605 H 0.02 0.60 -0.05 -0.55 8.47 8.50 1d6mA1 GLN 605 HA 0.02 -0.04 0.36 -0.75 4.36 3.95 1d6mA1 GLN 605 HB2 0.05 0.15 0.15 -0.04 2.15 2.46 1d6mA1 GLN 605 HB3 0.05 -0.06 0.01 -0.04 2.02 1.97 1d6mA1 GLN 605 HG2 0.02 -0.04 0.03 -0.04 2.40 2.37 1d6mA1 GLN 605 HG3 0.03 0.07 0.03 -0.04 2.39 2.48 1d6mA1 GLN 605 HE21 0.03 -0.06 -0.05 -0.04 6.97 6.85 1d6mA1 GLN 605 HE22 0.03 0.01 -0.07 -0.04 7.69 7.62 1d6mA1 ALA 606 H 0.03 0.46 -0.12 -0.55 8.40 8.22 1d6mA1 ALA 606 HA 0.13 -0.04 0.36 -0.75 4.34 4.03 1d6mA1 ALA 606 HB3 -0.02 0.04 0.12 -0.04 1.41 1.50 1d6mA1 LYS 607 H -0.02 0.70 -0.03 -0.55 8.42 8.53 1d6mA1 LYS 607 HA 0.00 -0.03 0.37 -0.75 4.32 3.90 1d6mA1 LYS 607 HB2 -0.01 0.13 0.22 -0.04 1.87 2.17 1d6mA1 LYS 607 HB3 0.00 -0.05 -0.05 -0.04 1.79 1.65 1d6mA1 LYS 607 HG2 -0.01 -0.05 0.00 -0.04 1.46 1.36 1d6mA1 LYS 607 HG3 -0.03 -0.02 0.02 -0.04 1.46 1.40 1d6mA1 LYS 607 HD2 -0.02 -0.02 -0.14 -0.04 1.69 1.46 1d6mA1 LYS 607 HD3 -0.00 -0.01 -0.04 -0.04 1.68 1.59 1d6mA1 LYS 607 HE2 0.00 -0.03 -0.04 -0.04 2.99 2.88 1d6mA1 LYS 607 HE3 -0.00 -0.02 -0.04 -0.04 2.99 2.88 1d6mA1 ARG 608 H 0.01 0.62 -0.02 -0.55 8.46 8.52 1d6mA1 ARG 608 HA 0.01 -0.01 0.53 -0.75 4.34 4.11 1d6mA1 ARG 608 HB2 0.01 0.07 0.14 -0.04 1.90 2.08 1d6mA1 ARG 608 HB3 0.01 -0.07 -0.01 -0.04 1.80 1.69 1d6mA1 ARG 608 HG2 0.01 -0.05 0.04 -0.04 1.67 1.62 1d6mA1 ARG 608 HG3 0.01 0.00 0.02 -0.04 1.67 1.66 1d6mA1 ARG 608 HD2 0.01 -0.01 -0.08 -0.04 3.22 3.11 1d6mA1 ARG 608 HD3 0.01 -0.03 -0.03 -0.04 3.22 3.13 1d6mA1 THR 609 H 0.02 0.76 -0.03 -0.55 8.28 8.48 1d6mA1 THR 609 HA 0.01 -0.09 0.19 -0.75 4.39 3.74 1d6mA1 THR 609 HB 0.04 0.27 0.13 -0.04 4.32 4.72 1d6mA1 THR 609 HG23 0.02 -0.01 0.02 -0.04 1.22 1.21