============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 68 rings ring int. center anis. iso. TYR 12 0.840 -5.088 -30.988 79.721 -99.200 -91.000 HIS 23 0.900 -3.935 -23.819 86.484 -99.200 -91.000 TYR 54 0.840 11.955 -6.628 75.938 -99.200 -91.000 HIS 70 0.900 10.453 4.000 77.174 -99.200 -91.000 HIS 73 0.900 22.676 -4.602 76.855 -99.200 -91.000 PHE 80 1.000 10.681 -6.247 63.073 -99.200 -91.000 TYR 81 0.840 9.362 -10.153 66.874 -99.200 -91.000 TRP 83 1.040 8.864 0.286 64.678 -99.200 -91.000 TRP6 83 1.020 10.173 -0.152 62.802 -99.200 -91.000 PHE 88 1.000 2.808 1.781 73.710 -99.200 -91.000 PHE 100 1.000 12.658 10.640 71.323 -99.200 -91.000 TYR 103 0.840 12.166 7.859 65.714 -99.200 -91.000 PHE 105 1.000 14.848 5.417 69.757 -99.200 -91.000 PHE 116 1.000 35.342 -11.734 73.154 -99.200 -91.000 HIS 127 0.900 27.679 7.954 76.575 -99.200 -91.000 TYR 130 0.840 23.161 13.641 76.356 -99.200 -91.000 PHE 133 1.000 17.230 9.852 68.690 -99.200 -91.000 HIS 134 0.900 20.728 16.515 73.290 -99.200 -91.000 TYR 141 0.840 12.951 -0.522 79.266 -99.200 -91.000 HIS 169 0.900 14.949 6.406 85.774 -99.200 -91.000 PHE 171 1.000 12.864 0.557 84.173 -99.200 -91.000 TYR 176 0.840 16.713 -15.486 82.712 -99.200 -91.000 HIS 185 0.900 1.863 -6.312 84.134 -99.200 -91.000 HIS 186 0.900 6.684 -6.853 92.538 -99.200 -91.000 TYR 207 0.840 -12.507 19.885 92.897 -99.200 -91.000 TYR 215 0.840 -0.678 0.482 81.105 -99.200 -91.000 TRP 222 1.040 -5.377 11.218 74.083 -99.200 -91.000 TRP6 222 1.020 -4.677 10.448 71.972 -99.200 -91.000 TYR 233 0.840 -13.499 14.532 89.540 -99.200 -91.000 HIS 234 0.900 -4.635 19.148 87.299 -99.200 -91.000 TYR 245 0.840 11.821 10.855 83.741 -99.200 -91.000 HIS 262 0.900 -5.675 -5.262 91.760 -99.200 -91.000 TYR 267 0.840 2.763 -5.111 91.096 -99.200 -91.000 TYR 276 0.840 4.643 10.408 97.787 -99.200 -91.000 TRP 280 1.040 -5.538 1.292 96.134 -99.200 -91.000 TRP6 280 1.020 -6.689 -0.463 95.051 -99.200 -91.000 PHE 285 1.000 -13.018 6.558 84.126 -99.200 -91.000 PHE 302 1.000 -11.303 14.512 94.398 -99.200 -91.000 TYR 328 0.840 -28.253 -0.522 65.786 -99.200 -91.000 PHE 329 1.000 -24.329 0.432 70.080 -99.200 -91.000 TYR 341 0.840 -6.609 -16.913 77.841 -99.200 -91.000 HIS 348 0.900 -13.732 -7.734 86.847 -99.200 -91.000 TYR 350 0.840 -13.596 -4.181 76.911 -99.200 -91.000 PHE 357 1.000 -23.048 -3.561 73.943 -99.200 -91.000 PHE 366 1.000 -8.799 -11.892 84.185 -99.200 -91.000 PHE 368 1.000 -0.938 -10.675 82.275 -99.200 -91.000 HIS 370 0.900 -0.485 -12.259 89.840 -99.200 -91.000 TYR 374 0.840 -8.288 -15.984 87.302 -99.200 -91.000 TYR 404 0.840 0.589 9.496 105.526 -99.200 -91.000 TYR 426 0.840 -10.262 -6.106 91.188 -99.200 -91.000 HIS 434 0.900 -24.656 -16.308 84.130 -99.200 -91.000 HIS 445 0.900 -5.637 -25.121 69.032 -99.200 -91.000 HIS 446 0.900 -7.540 -30.315 75.310 -99.200 -91.000 PHE 460 1.000 -13.258 -17.949 73.224 -99.200 -91.000 PHE 461 1.000 -15.793 -9.595 72.747 -99.200 -91.000 PHE 468 1.000 -6.649 -13.487 61.678 -99.200 -91.000 HIS 481 0.900 -4.505 -8.878 74.651 -99.200 -91.000 TYR 483 0.840 -9.508 -1.280 73.024 -99.200 -91.000 TYR 485 0.840 -5.686 -3.911 64.030 -99.200 -91.000 TYR 489 0.840 -13.515 -1.433 70.733 -99.200 -91.000 PHE 492 1.000 -20.910 8.482 79.717 -99.200 -91.000 PHE 498 1.000 -17.609 -4.223 72.890 -99.200 -91.000 HIS 500 0.900 -23.062 2.102 65.828 -99.200 -91.000 TYR 507 0.840 -26.983 -8.799 63.146 -99.200 -91.000 TRP 511 1.040 -19.402 -13.771 60.410 -99.200 -91.000 TRP6 511 1.020 -17.452 -14.993 60.790 -99.200 -91.000 TRP 518 1.040 -19.441 -27.459 45.268 -99.200 -91.000 TRP6 518 1.020 -18.966 -25.206 44.797 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1mioA1 SER 2 HA -0.01 -0.00 0.14 -0.75 4.49 3.86 1mioA1 SER 2 HB2 -0.00 -0.11 0.05 -0.04 3.95 3.84 1mioA1 SER 2 HB3 -0.01 0.00 0.04 -0.04 3.93 3.93 1mioA1 GLU 3 H -0.00 0.09 -0.14 -0.55 8.60 8.00 1mioA1 GLU 3 HA -0.01 0.14 0.41 -0.75 4.29 4.08 1mioA1 GLU 3 HB2 -0.01 0.22 -0.05 -0.04 2.09 2.21 1mioA1 GLU 3 HB3 -0.01 -0.08 0.18 -0.04 1.99 2.04 1mioA1 GLU 3 HG2 -0.00 -0.24 0.07 -0.04 2.34 2.12 1mioA1 GLU 3 HG3 -0.01 0.20 0.13 -0.04 2.34 2.62 1mioA1 ASN 4 H -0.00 0.34 0.03 -0.55 8.53 8.35 1mioA1 ASN 4 HA 0.01 0.10 0.74 -0.75 4.76 4.85 1mioA1 ASN 4 HB2 0.00 0.10 0.08 -0.04 2.88 3.02 1mioA1 ASN 4 HB3 0.01 0.01 0.15 -0.04 2.79 2.91 1mioA1 ASN 4 HD21 0.00 0.03 -0.01 -0.04 7.03 7.01 1mioA1 ASN 4 HD22 0.00 0.02 0.01 -0.04 7.74 7.72 1mioA1 LEU 5 H 0.01 0.12 -0.58 -0.55 8.37 7.37 1mioA1 LEU 5 HA 0.01 0.16 0.44 -0.75 4.35 4.20 1mioA1 LEU 5 HB2 0.01 0.10 0.01 -0.04 1.64 1.72 1mioA1 LEU 5 HB3 0.01 0.00 0.01 -0.04 1.64 1.62 1mioA1 LEU 5 HG 0.03 -0.08 -0.28 -0.04 1.64 1.26 1mioA1 LEU 5 HD13 0.01 0.02 -0.12 -0.04 0.93 0.80 1mioA1 LEU 5 HD23 0.02 0.02 -0.09 -0.04 0.89 0.79 1mioA1 LYS 6 H 0.01 0.25 -0.10 -0.55 8.42 8.03 1mioA1 LYS 6 HA 0.03 0.06 0.29 -0.75 4.32 3.95 1mioA1 LYS 6 HB2 0.01 0.06 0.08 -0.04 1.87 1.98 1mioA1 LYS 6 HB3 0.01 -0.00 0.08 -0.04 1.79 1.84 1mioA1 LYS 6 HG2 0.02 -0.03 -0.05 -0.04 1.46 1.36 1mioA1 LYS 6 HG3 0.00 0.04 -0.11 -0.04 1.46 1.35 1mioA1 LYS 6 HD2 0.02 -0.05 -0.26 -0.04 1.69 1.37 1mioA1 LYS 6 HD3 0.02 0.00 -0.01 -0.04 1.68 1.66 1mioA1 LYS 6 HE2 -0.00 -0.03 -0.05 -0.04 2.99 2.87 1mioA1 LYS 6 HE3 0.00 -0.07 -0.04 -0.04 2.99 2.85 1mioA1 ASP 7 H 0.02 0.08 -0.31 -0.55 8.40 7.64 1mioA1 ASP 7 HA 0.03 0.05 0.23 -0.75 4.63 4.18 1mioA1 ASP 7 HB2 0.02 0.11 0.07 -0.04 2.71 2.86 1mioA1 ASP 7 HB3 0.02 0.02 0.03 -0.04 2.70 2.73 1mioA1 GLU 8 H 0.02 0.36 -0.43 -0.55 8.60 8.01 1mioA1 GLU 8 HA 0.02 -0.02 0.33 -0.75 4.29 3.87 1mioA1 GLU 8 HB2 0.01 0.11 0.27 -0.04 2.09 2.44 1mioA1 GLU 8 HB3 0.01 -0.02 -0.08 -0.04 1.99 1.87 1mioA1 GLU 8 HG2 0.00 -0.01 0.02 -0.04 2.34 2.32 1mioA1 GLU 8 HG3 -0.00 0.01 -0.01 -0.04 2.34 2.29 1mioA1 ILE 9 H 0.06 0.62 -0.10 -0.55 8.25 8.28 1mioA1 ILE 9 HA 0.12 -0.01 0.41 -0.75 4.18 3.95 1mioA1 ILE 9 HB 0.09 0.12 0.14 -0.04 1.89 2.20 1mioA1 ILE 9 HG12 0.06 -0.06 -0.02 -0.04 1.49 1.43 1mioA1 ILE 9 HG13 0.05 0.37 -0.03 -0.04 1.21 1.56 1mioA1 ILE 9 HG23 0.14 -0.03 -0.08 -0.04 0.93 0.92 1mioA1 ILE 9 HD13 0.05 -0.04 -0.09 -0.04 0.88 0.76 1mioA1 LEU 10 H 0.10 0.49 -0.13 -0.55 8.37 8.29 1mioA1 LEU 10 HA 0.39 -0.03 0.22 -0.75 4.35 4.18 1mioA1 LEU 10 HB2 0.08 0.13 0.08 -0.04 1.64 1.88 1mioA1 LEU 10 HB3 0.10 -0.06 -0.12 -0.04 1.64 1.52 1mioA1 LEU 10 HG 0.07 0.07 -0.01 -0.04 1.64 1.73 1mioA1 LEU 10 HD13 0.03 -0.03 -0.06 -0.04 0.93 0.83 1mioA1 LEU 10 HD23 0.03 -0.01 -0.10 -0.04 0.89 0.76 1mioA1 GLU 11 H 0.07 0.41 -0.24 -0.55 8.60 8.30 1mioA1 GLU 11 HA 0.07 -0.03 0.10 -0.75 4.29 3.68 1mioA1 GLU 11 HB2 0.04 0.14 0.12 -0.04 2.09 2.35 1mioA1 GLU 11 HB3 0.03 -0.06 -0.04 -0.04 1.99 1.88 1mioA1 GLU 11 HG2 0.04 -0.02 0.01 -0.04 2.34 2.33 1mioA1 GLU 11 HG3 0.03 -0.03 -0.02 -0.04 2.34 2.28 1mioA1 LYS 12 H 0.04 0.31 -0.31 -0.55 8.42 7.90 1mioA1 LYS 12 HA 0.02 0.05 0.74 -0.75 4.32 4.38 1mioA1 LYS 12 HB2 0.01 -0.01 0.08 -0.04 1.87 1.90 1mioA1 LYS 12 HB3 0.13 0.09 0.17 -0.04 1.79 2.13 1mioA1 LYS 12 HG2 0.16 -0.05 0.02 -0.04 1.46 1.55 1mioA1 LYS 12 HG3 0.00 -0.03 -0.08 -0.04 1.46 1.32 1mioA1 LYS 12 HD2 0.00 -0.05 0.00 -0.04 1.69 1.61 1mioA1 LYS 12 HD3 -0.01 0.03 0.02 -0.04 1.68 1.68 1mioA1 LYS 12 HE2 -0.12 0.05 0.03 -0.04 2.99 2.90 1mioA1 LYS 12 HE3 -0.04 -0.06 0.01 -0.04 2.99 2.86 1mioA1 TYR 13 H 0.08 0.35 -0.09 -0.55 8.29 8.09 1mioA1 TYR 13 HA -0.04 -0.03 0.16 -0.75 4.56 3.90 1mioA1 TYR 13 HB2 -0.03 0.27 -0.05 -0.04 3.06 3.21 1mioA1 TYR 13 HB3 -0.04 -0.15 -0.19 -0.04 2.98 2.55 1mioA1 TYR 13 HD2 -0.08 0.06 0.03 -0.04 7.15 7.12 1mioA1 TYR 13 HE2 -0.15 -0.08 -0.12 -0.04 6.85 6.46 1mioA1 ILE 14 H 0.13 0.12 0.10 -0.55 8.25 8.05 1mioA1 ILE 14 HA 0.05 0.17 0.57 -0.75 4.18 4.22 1mioA1 ILE 14 HB 0.07 0.02 0.20 -0.04 1.89 2.14 1mioA1 ILE 14 HG12 0.03 0.03 0.07 -0.04 1.49 1.58 1mioA1 ILE 14 HG13 0.03 0.00 0.11 -0.04 1.21 1.31 1mioA1 ILE 14 HG23 0.03 -0.01 0.03 -0.04 0.93 0.93 1mioA1 ILE 14 HD13 0.03 0.03 0.03 -0.04 0.88 0.93 1mioA1 PRO 15 HA 0.03 0.12 0.02 -0.51 4.44 4.09 1mioA1 PRO 15 HB2 0.01 0.04 0.08 -0.04 2.28 2.37 1mioA1 PRO 15 HB3 0.02 0.12 0.15 -0.04 2.02 2.28 1mioA1 PRO 15 HG2 0.01 -0.00 0.12 -0.04 2.03 2.12 1mioA1 PRO 15 HG3 0.02 0.09 0.12 -0.04 2.03 2.22 1mioA1 PRO 15 HD2 0.02 0.06 0.16 -0.04 3.68 3.88 1mioA1 PRO 15 HD3 0.03 0.18 0.30 -0.04 3.65 4.12 1mioA1 LYS 16 H 0.01 0.13 -0.07 -0.55 8.42 7.93 1mioA1 LYS 16 HA -0.01 0.09 0.53 -0.75 4.32 4.18 1mioA1 LYS 16 HB2 -0.01 0.04 0.02 -0.04 1.87 1.88 1mioA1 LYS 16 HB3 -0.00 0.02 0.10 -0.04 1.79 1.87 1mioA1 LYS 16 HG2 0.00 0.01 -0.10 -0.04 1.46 1.33 1mioA1 LYS 16 HG3 0.00 0.04 -0.03 -0.04 1.46 1.43 1mioA1 LYS 16 HD2 0.01 -0.14 -0.16 -0.04 1.69 1.37 1mioA1 LYS 16 HD3 0.01 0.03 -0.03 -0.04 1.68 1.65 1mioA1 LYS 16 HE2 0.01 0.02 0.02 -0.04 2.99 3.00 1mioA1 LYS 16 HE3 0.01 0.03 0.01 -0.04 2.99 3.01 1mioA1 THR 17 H -0.01 0.51 -0.12 -0.55 8.28 8.11 1mioA1 THR 17 HA -0.09 0.05 0.58 -0.75 4.39 4.18 1mioA1 THR 17 HB -0.01 0.07 0.02 -0.04 4.32 4.36 1mioA1 THR 17 HG23 -0.18 -0.01 -0.01 -0.04 1.22 0.98 1mioA1 LYS 18 H -0.04 0.26 -0.28 -0.55 8.42 7.81 1mioA1 LYS 18 HA -0.29 0.05 0.17 -0.75 4.32 3.49 1mioA1 LYS 18 HB2 0.05 0.10 -0.08 -0.04 1.87 1.90 1mioA1 LYS 18 HB3 -0.00 0.03 0.00 -0.04 1.79 1.78 1mioA1 LYS 18 HG2 0.00 -0.12 0.01 -0.04 1.46 1.31 1mioA1 LYS 18 HG3 0.13 0.23 -0.03 -0.04 1.46 1.75 1mioA1 LYS 18 HD2 0.03 -0.05 -0.08 -0.04 1.69 1.54 1mioA1 LYS 18 HD3 0.05 -0.06 -0.15 -0.04 1.68 1.49 1mioA1 LYS 18 HE2 0.11 0.30 -0.24 -0.04 2.99 3.12 1mioA1 LYS 18 HE3 0.07 0.02 -0.03 -0.04 2.99 3.01 1mioA1 LYS 19 H -0.05 0.43 -0.31 -0.55 8.42 7.93 1mioA1 LYS 19 HA -0.03 0.06 0.51 -0.75 4.32 4.10 1mioA1 LYS 19 HB2 -0.02 0.11 0.11 -0.04 1.87 2.02 1mioA1 LYS 19 HB3 -0.02 -0.02 0.04 -0.04 1.79 1.76 1mioA1 LYS 19 HG2 -0.01 -0.02 0.03 -0.04 1.46 1.41 1mioA1 LYS 19 HG3 -0.01 -0.02 -0.04 -0.04 1.46 1.34 1mioA1 LYS 19 HD2 -0.01 0.34 0.03 -0.04 1.69 2.01 1mioA1 LYS 19 HD3 -0.01 -0.05 -0.04 -0.04 1.68 1.54 1mioA1 LYS 19 HE2 -0.00 -0.01 -0.02 -0.04 2.99 2.92 1mioA1 LYS 19 HE3 -0.00 0.00 -0.03 -0.04 2.99 2.92 1mioA1 THR 20 H -0.09 0.35 -0.27 -0.55 8.28 7.73 1mioA1 THR 20 HA 0.01 0.12 0.67 -0.75 4.39 4.43 1mioA1 THR 20 HB 0.01 -0.04 0.09 -0.04 4.32 4.35 1mioA1 THR 20 HG23 -0.03 0.04 0.09 -0.04 1.22 1.27 1mioA1 ARG 21 H -0.16 0.40 -0.09 -0.55 8.46 8.05 1mioA1 ARG 21 HA -0.03 0.06 0.44 -0.75 4.34 4.05 1mioA1 ARG 21 HB2 -0.54 0.14 0.10 -0.04 1.90 1.57 1mioA1 ARG 21 HB3 -0.39 -0.02 -0.06 -0.04 1.80 1.29 1mioA1 ARG 21 HG2 -0.31 -0.06 -0.03 -0.04 1.67 1.24 1mioA1 ARG 21 HG3 -0.86 -0.04 -0.03 -0.04 1.67 0.70 1mioA1 ARG 21 HD2 -0.13 -0.07 -0.01 -0.04 3.22 2.97 1mioA1 ARG 21 HD3 -0.14 0.02 0.04 -0.04 3.22 3.10 1mioA1 SER 22 H -0.06 0.44 -0.10 -0.55 8.46 8.20 1mioA1 SER 22 HA -0.00 0.03 0.44 -0.75 4.49 4.21 1mioA1 SER 22 HB2 -0.01 -0.02 0.06 -0.04 3.95 3.94 1mioA1 SER 22 HB3 -0.02 0.09 0.13 -0.04 3.93 4.09 1mioA1 GLY 23 H -0.02 0.21 -0.23 -0.55 8.43 7.84 1mioA1 GLY 23 HA2 -0.09 0.04 0.16 -0.51 4.01 3.61 1mioA1 GLY 23 HA3 -0.14 -0.00 0.28 -0.51 4.01 3.63 1mioA1 HIS 24 H 0.04 0.29 -0.81 -0.55 8.41 7.38 1mioA1 HIS 24 HA -0.07 0.03 0.71 -0.75 4.63 4.55 1mioA1 HIS 24 HB2 -0.04 0.30 0.17 -0.04 3.26 3.65 1mioA1 HIS 24 HB3 -0.01 0.05 0.15 -0.04 3.20 3.35 1mioA1 HIS 24 HD2 0.02 -0.17 0.07 -0.04 6.97 6.83 1mioA1 HIS 24 HE1 -0.02 -0.06 -0.04 -0.04 7.75 7.58 1mioA1 ILE 25 H 0.02 0.67 0.24 -0.55 8.25 8.63 1mioA1 ILE 25 HA 0.01 0.15 0.99 -0.75 4.18 4.57 1mioA1 ILE 25 HB 0.02 0.03 0.18 -0.04 1.89 2.08 1mioA1 ILE 25 HG12 0.05 -0.10 -0.01 -0.04 1.49 1.39 1mioA1 ILE 25 HG13 0.07 0.02 -0.07 -0.04 1.21 1.18 1mioA1 ILE 25 HG23 0.02 -0.02 0.04 -0.04 0.93 0.94 1mioA1 ILE 25 HD13 0.07 -0.01 -0.03 -0.04 0.88 0.87 1mioA1 VAL 26 H -0.03 0.53 0.38 -0.55 8.24 8.58 1mioA1 VAL 26 HA -0.03 0.16 0.58 -0.75 4.13 4.09 1mioA1 VAL 26 HB -0.04 0.00 -0.01 -0.04 2.12 2.04 1mioA1 VAL 26 HG13 -0.07 0.09 -0.19 -0.04 0.97 0.75 1mioA1 VAL 26 HG23 -0.07 -0.03 -0.25 -0.04 0.95 0.56 1mioA1 ILE 27 H -0.02 0.30 0.16 -0.55 8.25 8.14 1mioA1 ILE 27 HA -0.01 0.48 0.89 -0.75 4.18 4.78 1mioA1 ILE 27 HB -0.01 -0.05 0.07 -0.04 1.89 1.85 1mioA1 ILE 27 HG12 -0.01 0.03 -0.04 -0.04 1.49 1.43 1mioA1 ILE 27 HG13 -0.01 -0.11 -0.57 -0.04 1.21 0.47 1mioA1 ILE 27 HG23 -0.02 0.06 -0.06 -0.04 0.93 0.87 1mioA1 ILE 27 HD13 -0.01 -0.02 -0.01 -0.04 0.88 0.80 1mioA1 LYS 28 H -0.01 0.35 0.14 -0.55 8.42 8.35 1mioA1 LYS 28 HA -0.01 0.18 0.73 -0.75 4.32 4.46 1mioA1 LYS 28 HB2 -0.00 -0.05 -0.01 -0.04 1.87 1.77 1mioA1 LYS 28 HB3 -0.00 0.07 0.07 -0.04 1.79 1.89 1mioA1 LYS 28 HG2 -0.01 -0.10 0.10 -0.04 1.46 1.41 1mioA1 LYS 28 HG3 -0.00 0.16 0.04 -0.04 1.46 1.61 1mioA1 LYS 28 HD2 -0.01 -0.08 -0.42 -0.04 1.69 1.15 1mioA1 LYS 28 HD3 -0.01 -0.10 -0.06 -0.04 1.68 1.47 1mioA1 LYS 28 HE2 0.02 0.08 -0.26 -0.04 2.99 2.79 1mioA1 LYS 28 HE3 0.02 -0.12 -0.20 -0.04 2.99 2.65 1mioA1 THR 29 H -0.02 0.83 0.08 -0.55 8.28 8.62 1mioA1 THR 29 HA -0.03 -0.03 0.65 -0.75 4.39 4.22 1mioA1 THR 29 HB -0.02 -0.00 0.06 -0.04 4.32 4.32 1mioA1 THR 29 HG23 -0.03 -0.02 -0.08 -0.04 1.22 1.06 1mioA1 GLU 30 H -0.02 0.14 -0.04 -0.55 8.60 8.14 1mioA1 GLU 30 HA -0.02 0.06 0.36 -0.75 4.29 3.94 1mioA1 GLU 30 HB2 -0.02 -0.05 -0.36 -0.04 2.09 1.62 1mioA1 GLU 30 HB3 -0.02 0.08 -0.16 -0.04 1.99 1.85 1mioA1 GLU 30 HG2 -0.03 -0.06 0.02 -0.04 2.34 2.23 1mioA1 GLU 30 HG3 -0.02 0.04 -0.05 -0.04 2.34 2.27 1mioA1 GLU 31 H -0.02 0.17 0.12 -0.55 8.60 8.33 1mioA1 GLU 31 HA -0.01 0.03 0.52 -0.75 4.29 4.08 1mioA1 GLU 31 HB2 -0.01 0.02 0.10 -0.04 2.09 2.15 1mioA1 GLU 31 HB3 -0.01 -0.01 0.06 -0.04 1.99 1.99 1mioA1 GLU 31 HG2 -0.01 -0.00 0.03 -0.04 2.34 2.31 1mioA1 GLU 31 HG3 -0.01 -0.01 0.04 -0.04 2.34 2.31 1mioA1 THR 32 H -0.02 0.52 0.05 -0.55 8.28 8.29 1mioA1 THR 32 HA -0.01 0.24 0.54 -0.75 4.39 4.41 1mioA1 THR 32 HB -0.02 -0.06 0.10 -0.04 4.32 4.31 1mioA1 THR 32 HG23 -0.02 0.01 -0.04 -0.04 1.22 1.14 1mioA1 PRO 33 HA -0.01 -0.04 0.52 -0.51 4.44 4.39 1mioA1 PRO 33 HB2 -0.01 0.04 -0.05 -0.04 2.28 2.21 1mioA1 PRO 33 HB3 -0.01 0.00 0.05 -0.04 2.02 2.02 1mioA1 PRO 33 HG2 -0.01 0.02 -0.00 -0.04 2.03 2.00 1mioA1 PRO 33 HG3 -0.01 0.08 -0.01 -0.04 2.03 2.05 1mioA1 PRO 33 HD2 -0.01 0.10 0.02 -0.04 3.68 3.74 1mioA1 PRO 33 HD3 -0.01 0.27 -0.84 -0.04 3.65 3.03 1mioA1 ASN 34 H -0.01 0.10 -0.05 -0.55 8.53 8.02 1mioA1 ASN 34 HA -0.01 0.01 0.25 -0.75 4.76 4.26 1mioA1 ASN 34 HB2 -0.02 0.07 -0.48 -0.04 2.88 2.42 1mioA1 ASN 34 HB3 -0.02 0.00 0.05 -0.04 2.79 2.79 1mioA1 ASN 34 HD21 -0.03 -0.02 -0.28 -0.04 7.03 6.67 1mioA1 ASN 34 HD22 -0.02 -0.11 -0.15 -0.04 7.74 7.42 1mioA1 PRO 35 HA -0.02 0.07 0.59 -0.51 4.44 4.57 1mioA1 PRO 35 HB2 -0.03 0.09 0.04 -0.04 2.28 2.34 1mioA1 PRO 35 HB3 -0.02 0.01 0.09 -0.04 2.02 2.06 1mioA1 PRO 35 HG2 -0.03 -0.06 -0.15 -0.04 2.03 1.75 1mioA1 PRO 35 HG3 -0.02 0.38 -0.02 -0.04 2.03 2.33 1mioA1 PRO 35 HD2 -0.01 -0.06 0.05 -0.04 3.68 3.62 1mioA1 PRO 35 HD3 -0.02 0.22 -0.10 -0.04 3.65 3.71 1mioA1 GLU 36 H -0.03 0.07 0.12 -0.55 8.60 8.22 1mioA1 GLU 36 HA -0.03 0.05 0.49 -0.75 4.29 4.05 1mioA1 GLU 36 HB2 -0.03 -0.02 0.07 -0.04 2.09 2.07 1mioA1 GLU 36 HB3 -0.04 0.03 -0.10 -0.04 1.99 1.83 1mioA1 GLU 36 HG2 -0.01 -0.00 0.01 -0.04 2.34 2.30 1mioA1 GLU 36 HG3 -0.02 0.01 0.04 -0.04 2.34 2.34 1mioA1 ILE 37 H -0.07 0.20 0.16 -0.55 8.25 7.99 1mioA1 ILE 37 HA -0.16 0.38 0.66 -0.75 4.18 4.31 1mioA1 ILE 37 HB -0.23 0.03 -0.23 -0.04 1.89 1.42 1mioA1 ILE 37 HG12 -0.36 0.06 -0.22 -0.04 1.49 0.93 1mioA1 ILE 37 HG13 -0.25 0.24 -0.06 -0.04 1.21 1.11 1mioA1 ILE 37 HG23 -0.30 -0.07 -0.14 -0.04 0.93 0.38 1mioA1 ILE 37 HD13 -0.71 -0.08 -0.12 -0.04 0.88 -0.08 1mioA1 VAL 38 H -0.32 0.73 0.08 -0.55 8.24 8.18 1mioA1 VAL 38 HA -0.10 0.08 0.91 -0.75 4.13 4.27 1mioA1 VAL 38 HB -0.13 -0.01 -0.04 -0.04 2.12 1.90 1mioA1 VAL 38 HG13 -0.08 0.01 -0.02 -0.04 0.97 0.84 1mioA1 VAL 38 HG23 -0.47 0.00 -0.05 -0.04 0.95 0.40 1mioA1 ALA 39 H 0.00 0.21 0.11 -0.55 8.40 8.17 1mioA1 ALA 39 HA 0.17 0.16 0.66 -0.75 4.34 4.57 1mioA1 ALA 39 HB3 0.22 0.02 -0.21 -0.04 1.41 1.40 1mioA1 ASN 40 H 0.17 0.28 0.11 -0.55 8.53 8.54 1mioA1 ASN 40 HA 0.05 0.00 0.28 -0.75 4.76 4.34 1mioA1 ASN 40 HB2 -0.44 -0.04 -0.05 -0.04 2.88 2.31 1mioA1 ASN 40 HB3 -0.14 0.15 0.01 -0.04 2.79 2.77 1mioA1 ASN 40 HD21 -0.04 -0.10 -0.05 -0.04 7.03 6.79 1mioA1 ASN 40 HD22 -0.03 0.06 0.06 -0.04 7.74 7.79 1mioA1 THR 41 H 0.15 0.03 -0.31 -0.55 8.28 7.60 1mioA1 THR 41 HA 0.07 0.14 0.66 -0.75 4.39 4.51 1mioA1 THR 41 HB 0.09 0.19 -0.02 -0.04 4.32 4.54 1mioA1 THR 41 HG23 0.17 0.02 -0.07 -0.04 1.22 1.31 1mioA1 ARG 42 H 0.04 0.23 0.07 -0.55 8.46 8.26 1mioA1 ARG 42 HA 0.04 -0.01 0.60 -0.75 4.34 4.22 1mioA1 ARG 42 HB2 0.03 0.01 0.07 -0.04 1.90 1.97 1mioA1 ARG 42 HB3 0.03 -0.21 -0.43 -0.04 1.80 1.15 1mioA1 ARG 42 HG2 0.02 0.36 0.07 -0.04 1.67 2.08 1mioA1 ARG 42 HG3 0.02 -0.07 -0.18 -0.04 1.67 1.40 1mioA1 ARG 42 HD2 0.02 0.10 -0.10 -0.04 3.22 3.20 1mioA1 ARG 42 HD3 0.02 -0.04 0.04 -0.04 3.22 3.19 1mioA1 THR 43 H 0.04 0.10 0.16 -0.55 8.28 8.03 1mioA1 THR 43 HA 0.00 0.09 0.81 -0.75 4.39 4.54 1mioA1 THR 43 HB 0.04 -0.00 0.07 -0.04 4.32 4.39 1mioA1 THR 43 HG23 0.04 0.02 0.06 -0.04 1.22 1.30 1mioA1 VAL 44 H -0.02 0.16 0.13 -0.55 8.24 7.96 1mioA1 VAL 44 HA -0.00 0.14 0.57 -0.75 4.13 4.09 1mioA1 VAL 44 HB -0.03 -0.06 0.11 -0.04 2.12 2.10 1mioA1 VAL 44 HG13 -0.01 0.01 -0.09 -0.04 0.97 0.84 1mioA1 VAL 44 HG23 -0.06 0.03 0.02 -0.04 0.95 0.90 1mioA1 PRO 45 HA 0.02 -0.01 0.67 -0.51 4.44 4.62 1mioA1 PRO 45 HB2 0.01 0.02 0.08 -0.04 2.28 2.35 1mioA1 PRO 45 HB3 0.02 -0.00 0.08 -0.04 2.02 2.08 1mioA1 PRO 45 HG2 0.01 0.03 0.09 -0.04 2.03 2.11 1mioA1 PRO 45 HG3 0.02 0.08 0.05 -0.04 2.03 2.13 1mioA1 PRO 45 HD2 0.01 0.08 0.21 -0.04 3.68 3.94 1mioA1 PRO 45 HD3 0.01 0.22 0.32 -0.04 3.65 4.15 1mioA1 GLY 46 H 0.03 0.12 0.20 -0.55 8.43 8.23 1mioA1 GLY 46 HA2 0.03 -0.01 0.29 -0.51 4.01 3.81 1mioA1 GLY 46 HA3 0.03 0.08 0.39 -0.51 4.01 4.00 1mioA1 ILE 47 H 0.04 0.33 0.09 -0.55 8.25 8.16 1mioA1 ILE 47 HA 0.06 0.06 0.57 -0.75 4.18 4.12 1mioA1 ILE 47 HB 0.04 0.11 -0.26 -0.04 1.89 1.74 1mioA1 ILE 47 HG12 0.09 -0.09 0.09 -0.04 1.49 1.54 1mioA1 ILE 47 HG13 0.08 0.16 -0.14 -0.04 1.21 1.27 1mioA1 ILE 47 HG23 0.05 -0.03 -0.18 -0.04 0.93 0.72 1mioA1 ILE 47 HD13 0.17 0.00 -0.04 -0.04 0.88 0.97 1mioA1 ILE 48 H 0.08 0.08 0.11 -0.55 8.25 7.97 1mioA1 ILE 48 HA 0.05 0.16 0.51 -0.75 4.18 4.14 1mioA1 ILE 48 HB 0.13 -0.35 0.31 -0.04 1.89 1.94 1mioA1 ILE 48 HG12 0.13 -0.06 0.13 -0.04 1.49 1.65 1mioA1 ILE 48 HG13 0.02 0.07 0.06 -0.04 1.21 1.32 1mioA1 ILE 48 HG23 0.02 0.03 -0.04 -0.04 0.93 0.90 1mioA1 ILE 48 HD13 0.02 0.03 -0.07 -0.04 0.88 0.82 1mioA1 THR 49 H 0.06 0.36 0.32 -0.55 8.28 8.47 1mioA1 THR 49 HA 0.09 0.30 0.94 -0.75 4.39 4.96 1mioA1 THR 49 HB 0.06 0.10 0.02 -0.04 4.32 4.46 1mioA1 THR 49 HG23 0.07 -0.01 0.01 -0.04 1.22 1.26 1mioA1 ALA 50 H 0.18 0.27 0.09 -0.55 8.40 8.39 1mioA1 ALA 50 HA 0.11 0.15 0.51 -0.75 4.34 4.35 1mioA1 ALA 50 HB3 0.25 -0.01 0.04 -0.04 1.41 1.65 1mioA1 ARG 51 H 0.14 0.09 -0.30 -0.55 8.46 7.83 1mioA1 ARG 51 HA 0.19 -0.10 0.41 -0.75 4.34 4.09 1mioA1 ARG 51 HB2 0.13 0.05 0.11 -0.04 1.90 2.15 1mioA1 ARG 51 HB3 0.13 0.14 0.06 -0.04 1.80 2.09 1mioA1 ARG 51 HG2 0.26 -0.23 -0.04 -0.04 1.67 1.62 1mioA1 ARG 51 HG3 0.23 -0.04 0.01 -0.04 1.67 1.82 1mioA1 ARG 51 HD2 0.14 0.03 0.06 -0.04 3.22 3.40 1mioA1 ARG 51 HD3 0.14 0.21 0.12 -0.04 3.22 3.65 1mioA1 GLY 52 H 0.12 -0.12 0.15 -0.55 8.43 8.02 1mioA1 GLY 52 HA2 0.05 0.26 0.67 -0.51 4.01 4.48 1mioA1 GLY 52 HA3 0.04 -0.07 0.39 -0.51 4.01 3.86 1mioA1 CYS 53 H 0.02 0.09 0.17 -0.55 8.50 8.23 1mioA1 CYS 53 HA 0.01 0.39 0.89 -0.75 4.58 5.11 1mioA1 CYS 53 HB2 0.03 -0.02 0.29 -0.04 2.97 3.23 1mioA1 CYS 53 HB3 0.03 0.19 -0.02 -0.04 2.97 3.13 1mioA1 ALA 54 H -0.01 0.46 0.16 -0.55 8.40 8.46 1mioA1 ALA 54 HA -0.10 -0.09 0.36 -0.75 4.34 3.75 1mioA1 ALA 54 HB3 -0.04 0.10 -0.16 -0.04 1.41 1.26 1mioA1 TYR 55 H 0.12 0.10 -0.01 -0.55 8.29 7.95 1mioA1 TYR 55 HA -0.02 0.06 0.49 -0.75 4.56 4.33 1mioA1 TYR 55 HB2 -0.01 0.21 0.21 -0.04 3.06 3.43 1mioA1 TYR 55 HB3 -0.01 -0.11 0.14 -0.04 2.98 2.96 1mioA1 TYR 55 HD2 0.04 0.12 -0.15 -0.04 7.15 7.12 1mioA1 TYR 55 HE2 0.07 0.09 -0.10 -0.04 6.85 6.86 1mioA1 ALA 56 H 0.08 0.13 -0.21 -0.55 8.40 7.85 1mioA1 ALA 56 HA -0.05 0.11 0.42 -0.75 4.34 4.06 1mioA1 ALA 56 HB3 0.00 0.03 0.13 -0.04 1.41 1.53 1mioA1 GLY 57 H -0.15 0.32 -0.16 -0.55 8.43 7.89 1mioA1 GLY 57 HA2 -0.19 -0.01 0.42 -0.51 4.01 3.72 1mioA1 GLY 57 HA3 -0.35 0.18 0.37 -0.51 4.01 3.70 1mioA1 CYS 58 H -0.16 0.43 0.07 -0.55 8.50 8.29 1mioA1 CYS 58 HA -0.12 0.18 0.68 -0.75 4.58 4.57 1mioA1 CYS 58 HB2 -0.03 -0.01 0.11 -0.04 2.97 3.00 1mioA1 CYS 58 HB3 -0.04 -0.07 0.15 -0.04 2.97 2.98 1mioA1 LYS 59 H -0.40 0.21 0.15 -0.55 8.42 7.82 1mioA1 LYS 59 HA -0.90 0.08 0.41 -0.75 4.32 3.15 1mioA1 LYS 59 HB2 -0.73 -0.03 0.10 -0.04 1.87 1.17 1mioA1 LYS 59 HB3 -1.35 0.04 0.11 -0.04 1.79 0.55 1mioA1 LYS 59 HG2 -1.27 0.03 -0.10 -0.04 1.46 0.09 1mioA1 LYS 59 HG3 -0.81 -0.08 -0.15 -0.04 1.46 0.37 1mioA1 LYS 59 HD2 -0.03 -0.08 -0.14 -0.04 1.69 1.40 1mioA1 LYS 59 HD3 -0.39 0.00 -0.15 -0.04 1.68 1.10 1mioA1 LYS 59 HE2 -0.30 0.02 -0.14 -0.04 2.99 2.52 1mioA1 LYS 59 HE3 -0.21 0.00 -0.14 -0.04 2.99 2.60 1mioA1 GLY 60 H -0.42 0.26 0.03 -0.55 8.43 7.75 1mioA1 GLY 60 HA2 -0.17 0.11 0.24 -0.51 4.01 3.67 1mioA1 GLY 60 HA3 -0.14 -0.04 0.34 -0.51 4.01 3.66 1mioA1 VAL 61 H -0.21 0.26 -0.11 -0.55 8.24 7.62 1mioA1 VAL 61 HA -0.17 0.10 0.67 -0.75 4.13 3.97 1mioA1 VAL 61 HB -0.16 0.13 0.23 -0.04 2.12 2.29 1mioA1 VAL 61 HG13 -0.38 -0.04 -0.16 -0.04 0.97 0.36 1mioA1 VAL 61 HG23 -0.08 -0.01 -0.06 -0.04 0.95 0.76 1mioA1 VAL 62 H -0.24 0.34 -0.04 -0.55 8.24 7.76 1mioA1 VAL 62 HA -0.31 0.00 0.27 -0.75 4.13 3.34 1mioA1 VAL 62 HB -0.12 0.10 0.17 -0.04 2.12 2.23 1mioA1 VAL 62 HG13 0.01 -0.01 -0.16 -0.04 0.97 0.76 1mioA1 VAL 62 HG23 -0.01 0.03 0.04 -0.04 0.95 0.96 1mioA1 MET 63 H -0.28 0.46 0.09 -0.55 8.47 8.19 1mioA1 MET 63 HA -0.14 0.04 0.50 -0.75 4.52 4.16 1mioA1 MET 63 HB2 -0.38 0.11 0.11 -0.04 2.15 1.95 1mioA1 MET 63 HB3 -0.13 0.00 -0.09 -0.04 2.03 1.77 1mioA1 MET 63 HG2 -0.33 -0.03 -0.01 -0.04 2.63 2.22 1mioA1 MET 63 HG3 -0.83 -0.03 -0.08 -0.04 2.56 1.57 1mioA1 MET 63 HE3 0.04 0.01 -0.07 -0.04 2.10 2.04 1mioA1 GLY 64 H -0.49 0.21 -0.27 -0.55 8.43 7.34 1mioA1 GLY 64 HA2 -0.70 -0.02 0.31 -0.51 4.01 3.09 1mioA1 GLY 64 HA3 -0.50 0.14 0.15 -0.51 4.01 3.29 1mioA1 PRO 65 HA -0.65 0.06 0.37 -0.51 4.44 3.71 1mioA1 PRO 65 HB2 -0.18 -0.13 -0.22 -0.04 2.28 1.70 1mioA1 PRO 65 HB3 -0.29 0.25 0.08 -0.04 2.02 2.03 1mioA1 PRO 65 HG2 -0.16 -0.14 0.07 -0.04 2.03 1.76 1mioA1 PRO 65 HG3 -1.05 -0.04 0.05 -0.04 2.03 0.94 1mioA1 PRO 65 HD2 -0.41 0.23 -0.48 -0.04 3.68 2.97 1mioA1 PRO 65 HD3 -0.83 0.14 -0.14 -0.04 3.65 2.78 1mioA1 ILE 66 H -0.08 0.48 -0.30 -0.55 8.25 7.80 1mioA1 ILE 66 HA 0.05 0.09 0.51 -0.75 4.18 4.07 1mioA1 ILE 66 HB 0.25 0.06 0.13 -0.04 1.89 2.29 1mioA1 ILE 66 HG12 0.05 -0.04 -0.05 -0.04 1.49 1.41 1mioA1 ILE 66 HG13 0.01 0.06 0.04 -0.04 1.21 1.27 1mioA1 ILE 66 HG23 0.17 -0.05 -0.23 -0.04 0.93 0.78 1mioA1 ILE 66 HD13 0.10 -0.03 -0.02 -0.04 0.88 0.89 1mioA1 LYS 67 H 0.07 0.28 0.26 -0.55 8.42 8.48 1mioA1 LYS 67 HA 0.16 0.16 0.27 -0.75 4.32 4.15 1mioA1 LYS 67 HB2 0.07 -0.18 0.19 -0.04 1.87 1.91 1mioA1 LYS 67 HB3 0.11 0.09 0.14 -0.04 1.79 2.09 1mioA1 LYS 67 HG2 0.07 0.08 -0.15 -0.04 1.46 1.42 1mioA1 LYS 67 HG3 0.05 -0.04 -0.15 -0.04 1.46 1.28 1mioA1 LYS 67 HD2 0.06 -0.06 -0.06 -0.04 1.69 1.59 1mioA1 LYS 67 HD3 0.11 -0.14 -0.01 -0.04 1.68 1.60 1mioA1 LYS 67 HE2 0.04 -0.03 -0.05 -0.04 2.99 2.90 1mioA1 LYS 67 HE3 0.06 0.02 0.04 -0.04 2.99 3.07 1mioA1 ASP 68 H 0.07 0.07 -0.23 -0.55 8.40 7.76 1mioA1 ASP 68 HA -0.13 0.23 0.74 -0.75 4.63 4.71 1mioA1 ASP 68 HB2 -0.02 0.01 0.21 -0.04 2.71 2.87 1mioA1 ASP 68 HB3 -0.07 0.22 -0.04 -0.04 2.70 2.77 1mioA1 MET 69 H 0.01 0.44 -0.02 -0.55 8.47 8.35 1mioA1 MET 69 HA -0.10 0.20 0.94 -0.75 4.52 4.81 1mioA1 MET 69 HB2 -0.70 0.08 -0.18 -0.04 2.15 1.31 1mioA1 MET 69 HB3 -0.28 0.02 -0.19 -0.04 2.03 1.54 1mioA1 MET 69 HG2 -0.22 -0.04 -0.06 -0.04 2.63 2.26 1mioA1 MET 69 HG3 0.01 -0.10 -0.13 -0.04 2.56 2.30 1mioA1 MET 69 HE3 0.17 -0.00 -0.11 -0.04 2.10 2.12 1mioA1 VAL 70 H -0.20 0.29 0.20 -0.55 8.24 7.98 1mioA1 VAL 70 HA -0.51 0.17 0.67 -0.75 4.13 3.71 1mioA1 VAL 70 HB -0.37 -0.04 0.14 -0.04 2.12 1.80 1mioA1 VAL 70 HG13 -1.03 -0.02 -0.16 -0.04 0.97 -0.28 1mioA1 VAL 70 HG23 -1.24 0.02 -0.09 -0.04 0.95 -0.39 1mioA1 HIS 71 H 0.08 0.31 -0.02 -0.55 8.41 8.23 1mioA1 HIS 71 HA 0.23 0.10 0.88 -0.75 4.63 5.08 1mioA1 HIS 71 HB2 0.01 0.04 0.12 -0.04 3.26 3.40 1mioA1 HIS 71 HB3 -0.08 -0.07 -0.09 -0.04 3.20 2.92 1mioA1 HIS 71 HD2 0.08 0.01 -0.04 -0.04 6.97 6.98 1mioA1 HIS 71 HE1 0.01 -0.03 -0.08 -0.04 7.75 7.61 1mioA1 ILE 72 H 0.24 0.79 0.11 -0.55 8.25 8.84 1mioA1 ILE 72 HA 0.21 0.16 0.71 -0.75 4.18 4.51 1mioA1 ILE 72 HB 0.10 -0.01 -0.23 -0.04 1.89 1.70 1mioA1 ILE 72 HG12 0.11 -0.10 -0.24 -0.04 1.49 1.22 1mioA1 ILE 72 HG13 0.15 0.01 -0.55 -0.04 1.21 0.79 1mioA1 ILE 72 HG23 -0.00 0.06 -0.17 -0.04 0.93 0.78 1mioA1 ILE 72 HD13 0.07 0.02 -0.29 -0.04 0.88 0.63 1mioA1 THR 73 H 0.21 0.53 0.03 -0.55 8.28 8.50 1mioA1 THR 73 HA 0.38 -0.04 0.53 -0.75 4.39 4.51 1mioA1 THR 73 HB 0.15 0.05 0.14 -0.04 4.32 4.62 1mioA1 THR 73 HG23 0.15 -0.05 -0.39 -0.04 1.22 0.90 1mioA1 HIS 74 H 0.31 -0.01 0.12 -0.55 8.41 8.29 1mioA1 HIS 74 HA 0.08 0.22 0.91 -0.75 4.63 5.09 1mioA1 HIS 74 HB2 0.08 0.10 0.07 -0.04 3.26 3.47 1mioA1 HIS 74 HB3 0.09 -0.25 0.26 -0.04 3.20 3.26 1mioA1 HIS 74 HD2 0.04 -0.03 -0.01 -0.04 6.97 6.93 1mioA1 HIS 74 HE1 0.04 0.20 -0.09 -0.04 7.75 7.85 1mioA1 GLY 75 H 0.01 0.57 0.16 -0.55 8.43 8.63 1mioA1 GLY 75 HA2 -0.19 0.01 0.26 -0.51 4.01 3.58 1mioA1 GLY 75 HA3 -0.10 0.01 0.59 -0.51 4.01 4.00 1mioA1 PRO 76 HA -0.02 0.13 0.73 -0.51 4.44 4.77 1mioA1 PRO 76 HB2 -0.02 -0.05 0.03 -0.04 2.28 2.20 1mioA1 PRO 76 HB3 -0.02 0.14 0.12 -0.04 2.02 2.23 1mioA1 PRO 76 HG2 -0.03 0.09 0.05 -0.04 2.03 2.10 1mioA1 PRO 76 HG3 -0.03 0.06 -0.02 -0.04 2.03 2.00 1mioA1 PRO 76 HD2 -0.06 0.06 0.20 -0.04 3.68 3.84 1mioA1 PRO 76 HD3 -0.07 0.08 0.20 -0.04 3.65 3.81 1mioA1 ILE 77 H -0.01 0.25 0.19 -0.55 8.25 8.13 1mioA1 ILE 77 HA 0.01 0.08 0.14 -0.75 4.18 3.66 1mioA1 ILE 77 HB -0.01 0.04 0.16 -0.04 1.89 2.04 1mioA1 ILE 77 HG12 -0.03 0.08 0.01 -0.04 1.49 1.51 1mioA1 ILE 77 HG13 -0.02 -0.01 -0.04 -0.04 1.21 1.10 1mioA1 ILE 77 HG23 -0.05 0.02 0.05 -0.04 0.93 0.91 1mioA1 ILE 77 HD13 0.00 0.01 -0.01 -0.04 0.88 0.84 1mioA1 GLY 78 H 0.01 0.10 -0.09 -0.55 8.43 7.90 1mioA1 GLY 78 HA2 -0.11 0.11 0.36 -0.51 4.01 3.87 1mioA1 GLY 78 HA3 0.17 0.06 0.31 -0.51 4.01 4.05 1mioA1 CYS 79 H 0.01 0.21 -0.22 -0.55 8.50 7.96 1mioA1 CYS 79 HA 0.10 0.03 0.18 -0.75 4.58 4.13 1mioA1 CYS 79 HB2 -0.18 0.11 -0.07 -0.04 2.97 2.80 1mioA1 CYS 79 HB3 -0.75 -0.02 -0.07 -0.04 2.97 2.09 1mioA1 SER 80 H 0.06 0.25 -0.38 -0.55 8.46 7.83 1mioA1 SER 80 HA 0.14 0.10 0.55 -0.75 4.49 4.53 1mioA1 SER 80 HB2 0.07 -0.10 -0.04 -0.04 3.95 3.84 1mioA1 SER 80 HB3 0.03 0.04 -0.02 -0.04 3.93 3.95 1mioA1 PHE 81 H 0.11 0.51 0.05 -0.55 8.34 8.46 1mioA1 PHE 81 HA 0.02 0.08 0.31 -0.75 4.62 4.27 1mioA1 PHE 81 HB2 -0.14 -0.01 0.07 -0.04 3.15 3.03 1mioA1 PHE 81 HB3 -0.53 -0.01 0.11 -0.04 3.06 2.59 1mioA1 PHE 81 HD2 -0.39 -0.02 -0.08 -0.04 7.28 6.75 1mioA1 PHE 81 HE2 0.11 0.01 -0.02 -0.04 7.38 7.44 1mioA1 PHE 81 HZ 0.01 0.02 -0.01 -0.04 7.32 7.31 1mioA1 TYR 82 H 0.11 0.41 -0.29 -0.55 8.29 7.97 1mioA1 TYR 82 HA 0.07 0.19 0.52 -0.75 4.56 4.58 1mioA1 TYR 82 HB2 0.13 0.02 0.00 -0.04 3.06 3.17 1mioA1 TYR 82 HB3 0.10 -0.07 0.11 -0.04 2.98 3.08 1mioA1 TYR 82 HD2 0.14 0.04 -0.08 -0.04 7.15 7.20 1mioA1 TYR 82 HE2 0.15 -0.05 -0.02 -0.04 6.85 6.89 1mioA1 THR 83 H 0.14 0.39 -0.54 -0.55 8.28 7.72 1mioA1 THR 83 HA 0.08 0.03 0.68 -0.75 4.39 4.43 1mioA1 THR 83 HB 0.04 0.04 0.16 -0.04 4.32 4.52 1mioA1 THR 83 HG23 0.07 -0.05 -0.09 -0.04 1.22 1.12 1mioA1 TRP 84 H 0.08 0.34 -0.33 -0.55 7.97 7.51 1mioA1 TRP 84 HA -0.11 0.22 0.85 -0.75 4.62 4.82 1mioA1 TRP 84 HB2 -0.29 0.00 0.08 -0.04 3.23 2.98 1mioA1 TRP 84 HB3 -0.42 -0.00 0.24 -0.04 3.23 3.01 1mioA1 TRP 84 HD1 -0.11 0.07 -0.16 -0.04 7.22 6.97 1mioA1 TRP 84 HE1 -0.14 0.36 -0.15 -0.04 10.20 10.23 1mioA1 TRP 84 HE3 -0.54 -0.03 0.04 -0.04 7.59 7.02 1mioA1 TRP 84 HZ2 -0.12 0.07 0.05 -0.04 7.44 7.41 1mioA1 TRP 84 HZ3 0.06 -0.05 0.01 -0.04 7.13 7.11 1mioA1 TRP 84 HH2 -0.03 -0.02 0.02 -0.04 7.19 7.11 1mioA1 GLY 85 H 0.08 0.33 -0.06 -0.55 8.43 8.23 1mioA1 GLY 85 HA2 -0.13 0.12 0.27 -0.51 4.01 3.76 1mioA1 GLY 85 HA3 -0.16 0.09 0.19 -0.51 4.01 3.62 1mioA1 GLY 86 H -0.06 0.08 -0.42 -0.55 8.43 7.48 1mioA1 GLY 86 HA2 -0.06 0.13 0.52 -0.51 4.01 4.09 1mioA1 GLY 86 HA3 -0.03 -0.02 0.22 -0.51 4.01 3.67 1mioA1 ARG 87 H -0.17 0.13 -0.13 -0.55 8.46 7.73 1mioA1 ARG 87 HA -0.10 -0.04 0.57 -0.75 4.34 4.02 1mioA1 ARG 87 HB2 -0.07 0.00 0.09 -0.04 1.90 1.88 1mioA1 ARG 87 HB3 -0.24 0.11 0.03 -0.04 1.80 1.65 1mioA1 ARG 87 HG2 0.02 -0.09 -0.03 -0.04 1.67 1.53 1mioA1 ARG 87 HG3 0.09 0.12 -0.08 -0.04 1.67 1.76 1mioA1 ARG 87 HD2 0.01 -0.05 -0.04 -0.04 3.22 3.10 1mioA1 ARG 87 HD3 0.03 -0.13 -0.03 -0.04 3.22 3.05 1mioA1 ARG 88 H -0.14 0.05 0.01 -0.55 8.46 7.82 1mioA1 ARG 88 HA -0.25 0.32 0.21 -0.75 4.34 3.87 1mioA1 ARG 88 HB2 -0.11 -0.08 0.14 -0.04 1.90 1.80 1mioA1 ARG 88 HB3 -0.08 -0.15 0.23 -0.04 1.80 1.76 1mioA1 ARG 88 HG2 -0.01 0.06 -0.03 -0.04 1.67 1.65 1mioA1 ARG 88 HG3 -0.01 0.13 -0.10 -0.04 1.67 1.64 1mioA1 ARG 88 HD2 0.19 0.02 0.07 -0.04 3.22 3.45 1mioA1 ARG 88 HD3 -0.03 -0.10 0.14 -0.04 3.22 3.18 1mioA1 PHE 89 H -0.70 0.39 -0.23 -0.55 8.34 7.25 1mioA1 PHE 89 HA -0.10 -0.03 0.41 -0.75 4.62 4.15 1mioA1 PHE 89 HB2 -0.05 0.17 0.04 -0.04 3.15 3.27 1mioA1 PHE 89 HB3 -0.03 0.01 0.07 -0.04 3.06 3.06 1mioA1 PHE 89 HD2 -0.03 -0.10 -0.04 -0.04 7.28 7.07 1mioA1 PHE 89 HE2 -0.05 0.07 0.00 -0.04 7.38 7.35 1mioA1 PHE 89 HZ -0.09 0.00 0.01 -0.04 7.32 7.21 1mioA1 LYS 90 H -0.14 0.28 0.44 -0.55 8.42 8.45 1mioA1 LYS 90 HA 0.05 0.13 0.72 -0.75 4.32 4.46 1mioA1 LYS 90 HB2 -0.69 -0.19 0.22 -0.04 1.87 1.17 1mioA1 LYS 90 HB3 0.16 0.12 0.10 -0.04 1.79 2.13 1mioA1 LYS 90 HG2 -0.06 -0.13 0.23 -0.04 1.46 1.45 1mioA1 LYS 90 HG3 0.07 -0.02 0.04 -0.04 1.46 1.51 1mioA1 LYS 90 HD2 0.11 0.03 -0.00 -0.04 1.69 1.78 1mioA1 LYS 90 HD3 0.14 0.07 0.04 -0.04 1.68 1.88 1mioA1 LYS 90 HE2 -0.02 -0.02 -0.35 -0.04 2.99 2.55 1mioA1 LYS 90 HE3 0.01 -0.03 -0.05 -0.04 2.99 2.88 1mioA1 SER 91 H 0.20 0.21 0.23 -0.55 8.46 8.56 1mioA1 SER 91 HA 0.23 0.11 0.75 -0.75 4.49 4.82 1mioA1 SER 91 HB2 0.18 -0.06 0.06 -0.04 3.95 4.09 1mioA1 SER 91 HB3 0.16 -0.01 0.14 -0.04 3.93 4.17 1mioA1 LYS 92 H 0.23 0.39 0.13 -0.55 8.42 8.62 1mioA1 LYS 92 HA 0.13 0.11 0.44 -0.75 4.32 4.24 1mioA1 LYS 92 HB2 -0.00 0.07 0.07 -0.04 1.87 1.96 1mioA1 LYS 92 HB3 0.06 0.06 0.08 -0.04 1.79 1.95 1mioA1 LYS 92 HG2 -0.36 -0.03 -0.10 -0.04 1.46 0.93 1mioA1 LYS 92 HG3 0.30 -0.10 -0.09 -0.04 1.46 1.53 1mioA1 LYS 92 HD2 -0.06 0.09 -0.10 -0.04 1.69 1.57 1mioA1 LYS 92 HD3 -0.18 -0.04 -0.06 -0.04 1.68 1.36 1mioA1 LYS 92 HE2 0.09 -0.05 -0.07 -0.04 2.99 2.93 1mioA1 LYS 92 HE3 0.07 0.00 -0.34 -0.04 2.99 2.69 1mioA1 PRO 93 HA 0.03 0.05 0.34 -0.51 4.44 4.35 1mioA1 PRO 93 HB2 0.01 0.13 -0.20 -0.04 2.28 2.19 1mioA1 PRO 93 HB3 0.01 0.19 0.06 -0.04 2.02 2.25 1mioA1 PRO 93 HG2 0.01 -0.10 0.08 -0.04 2.03 1.98 1mioA1 PRO 93 HG3 0.02 0.09 0.10 -0.04 2.03 2.20 1mioA1 PRO 93 HD2 0.05 0.07 0.22 -0.04 3.68 3.98 1mioA1 PRO 93 HD3 0.05 0.13 0.10 -0.04 3.65 3.90 1mioA1 GLU 94 H 0.02 0.13 0.08 -0.55 8.60 8.28 1mioA1 GLU 94 HA 0.03 0.02 0.43 -0.75 4.29 4.01 1mioA1 GLU 94 HB2 0.03 -0.03 0.19 -0.04 2.09 2.24 1mioA1 GLU 94 HB3 0.02 0.06 0.18 -0.04 1.99 2.22 1mioA1 GLU 94 HG2 0.03 -0.07 0.06 -0.04 2.34 2.32 1mioA1 GLU 94 HG3 0.02 0.06 -0.00 -0.04 2.34 2.38 1mioA1 ASN 95 H 0.01 0.14 0.21 -0.55 8.53 8.34 1mioA1 ASN 95 HA -0.00 -0.01 0.29 -0.75 4.76 4.29 1mioA1 ASN 95 HB2 0.01 0.03 -0.57 -0.04 2.88 2.32 1mioA1 ASN 95 HB3 0.01 0.02 0.10 -0.04 2.79 2.88 1mioA1 ASN 95 HD21 0.01 0.00 0.00 -0.04 7.03 7.00 1mioA1 ASN 95 HD22 0.01 0.01 0.02 -0.04 7.74 7.74 1mioA1 GLY 96 H 0.00 0.25 -0.36 -0.55 8.43 7.77 1mioA1 GLY 96 HA2 0.00 -0.04 0.28 -0.51 4.01 3.74 1mioA1 GLY 96 HA3 0.00 0.09 0.60 -0.51 4.01 4.19 1mioA1 THR 97 H 0.01 0.31 0.00 -0.55 8.28 8.05 1mioA1 THR 97 HA 0.02 0.07 0.67 -0.75 4.39 4.39 1mioA1 THR 97 HB 0.01 0.01 0.18 -0.04 4.32 4.48 1mioA1 THR 97 HG23 0.02 -0.01 -0.00 -0.04 1.22 1.19 1mioA1 GLY 98 H 0.01 0.47 -0.02 -0.55 8.43 8.34 1mioA1 GLY 98 HA2 0.00 0.05 0.32 -0.51 4.01 3.87 1mioA1 GLY 98 HA3 0.01 -0.12 0.31 -0.51 4.01 3.70 1mioA1 LEU 99 H -0.04 0.11 0.10 -0.55 8.37 7.99 1mioA1 LEU 99 HA -0.14 0.11 0.64 -0.75 4.35 4.20 1mioA1 LEU 99 HB2 -0.17 -0.12 0.12 -0.04 1.64 1.43 1mioA1 LEU 99 HB3 -0.61 0.02 -0.00 -0.04 1.64 1.00 1mioA1 LEU 99 HG -0.01 -0.06 0.06 -0.04 1.64 1.58 1mioA1 LEU 99 HD13 0.06 0.05 0.02 -0.04 0.93 1.03 1mioA1 LEU 99 HD23 0.02 0.03 0.03 -0.04 0.89 0.93 1mioA1 ASN 100 H -0.30 0.31 0.17 -0.55 8.53 8.17 1mioA1 ASN 100 HA -0.10 0.25 0.60 -0.75 4.76 4.75 1mioA1 ASN 100 HB2 0.01 0.03 -0.11 -0.04 2.88 2.78 1mioA1 ASN 100 HB3 0.02 0.04 0.10 -0.04 2.79 2.91 1mioA1 ASN 100 HD21 0.12 -0.00 -0.07 -0.04 7.03 7.04 1mioA1 ASN 100 HD22 0.09 0.06 -0.06 -0.04 7.74 7.79 1mioA1 PHE 101 H 0.02 0.58 0.23 -0.55 8.34 8.62 1mioA1 PHE 101 HA 0.29 0.20 0.82 -0.75 4.62 5.17 1mioA1 PHE 101 HB2 0.11 0.15 0.09 -0.04 3.15 3.45 1mioA1 PHE 101 HB3 0.28 -0.08 0.18 -0.04 3.06 3.40 1mioA1 PHE 101 HD2 -0.12 0.10 -0.14 -0.04 7.28 7.08 1mioA1 PHE 101 HE2 -0.07 0.00 -0.18 -0.04 7.38 7.09 1mioA1 PHE 101 HZ 0.04 0.19 -0.22 -0.04 7.32 7.30 1mioA1 ASN 102 H 0.21 0.07 -0.03 -0.55 8.53 8.24 1mioA1 ASN 102 HA 0.28 0.14 0.21 -0.75 4.76 4.64 1mioA1 ASN 102 HB2 0.24 0.10 0.12 -0.04 2.88 3.30 1mioA1 ASN 102 HB3 0.18 -0.08 0.14 -0.04 2.79 2.99 1mioA1 ASN 102 HD21 0.07 -0.04 -0.02 -0.04 7.03 7.00 1mioA1 ASN 102 HD22 0.08 0.04 0.00 -0.04 7.74 7.83 1mioA1 GLU 103 H 0.20 0.08 -0.37 -0.55 8.60 7.96 1mioA1 GLU 103 HA 0.16 0.20 0.57 -0.75 4.29 4.47 1mioA1 GLU 103 HB2 -0.02 0.01 0.15 -0.04 2.09 2.18 1mioA1 GLU 103 HB3 0.04 -0.00 -0.03 -0.04 1.99 1.95 1mioA1 GLU 103 HG2 0.06 -0.07 -0.05 -0.04 2.34 2.25 1mioA1 GLU 103 HG3 -0.21 0.03 -0.06 -0.04 2.34 2.06 1mioA1 TYR 104 H 0.22 0.44 -0.26 -0.55 8.29 8.14 1mioA1 TYR 104 HA -0.30 0.12 0.76 -0.75 4.56 4.39 1mioA1 TYR 104 HB2 -0.11 0.20 0.02 -0.04 3.06 3.12 1mioA1 TYR 104 HB3 -1.18 -0.08 -0.14 -0.04 2.98 1.54 1mioA1 TYR 104 HD2 -0.08 -0.02 -0.05 -0.04 7.15 6.97 1mioA1 TYR 104 HE2 0.14 0.03 -0.02 -0.04 6.85 6.95 1mioA1 VAL 105 H -0.76 0.23 0.05 -0.55 8.24 7.21 1mioA1 VAL 105 HA -0.18 0.11 0.81 -0.75 4.13 4.12 1mioA1 VAL 105 HB -1.32 -0.05 -0.12 -0.04 2.12 0.58 1mioA1 VAL 105 HG13 -0.40 -0.03 -0.19 -0.04 0.97 0.30 1mioA1 VAL 105 HG23 -0.08 0.04 -0.13 -0.04 0.95 0.74 1mioA1 PHE 106 H 0.13 0.28 0.18 -0.55 8.34 8.37 1mioA1 PHE 106 HA -0.08 0.14 0.72 -0.75 4.62 4.63 1mioA1 PHE 106 HB2 -0.05 0.11 -0.04 -0.04 3.15 3.13 1mioA1 PHE 106 HB3 -0.06 -0.02 0.00 -0.04 3.06 2.94 1mioA1 PHE 106 HD2 -0.12 0.05 -0.04 -0.04 7.28 7.13 1mioA1 PHE 106 HE2 -0.65 0.10 -0.05 -0.04 7.38 6.73 1mioA1 PHE 106 HZ -1.65 0.06 -0.05 -0.04 7.32 5.64 1mioA1 SER 107 H 0.13 0.33 0.18 -0.55 8.46 8.56 1mioA1 SER 107 HA 0.12 0.14 0.59 -0.75 4.49 4.59 1mioA1 SER 107 HB2 0.04 0.10 -0.37 -0.04 3.95 3.68 1mioA1 SER 107 HB3 0.02 -0.00 -0.16 -0.04 3.93 3.75 1mioA1 THR 108 H 0.13 0.42 0.16 -0.55 8.28 8.45 1mioA1 THR 108 HA 0.08 0.21 0.61 -0.75 4.39 4.54 1mioA1 THR 108 HB 0.14 -0.02 -0.11 -0.04 4.32 4.29 1mioA1 THR 108 HG23 0.10 0.01 -0.13 -0.04 1.22 1.16 1mioA1 ASP 109 H 0.04 0.20 -0.11 -0.55 8.40 7.99 1mioA1 ASP 109 HA 0.02 0.14 0.68 -0.75 4.63 4.72 1mioA1 ASP 109 HB2 0.01 -0.05 0.07 -0.04 2.71 2.69 1mioA1 ASP 109 HB3 0.02 0.04 0.04 -0.04 2.70 2.76 1mioA1 MET 110 H -0.00 0.38 0.11 -0.55 8.47 8.41 1mioA1 MET 110 HA 0.01 0.02 0.49 -0.75 4.52 4.29 1mioA1 MET 110 HB2 -0.06 -0.05 -0.32 -0.04 2.15 1.68 1mioA1 MET 110 HB3 -0.03 -0.01 -0.16 -0.04 2.03 1.79 1mioA1 MET 110 HG2 -0.04 0.07 -0.10 -0.04 2.63 2.52 1mioA1 MET 110 HG3 -0.01 -0.07 -0.00 -0.04 2.56 2.43 1mioA1 MET 110 HE3 -0.09 0.01 -0.14 -0.04 2.10 1.84 1mioA1 GLN 111 H 0.01 0.08 0.16 -0.55 8.47 8.18 1mioA1 GLN 111 HA 0.00 0.24 0.71 -0.75 4.36 4.56 1mioA1 GLN 111 HB2 0.03 -0.07 0.01 -0.04 2.15 2.08 1mioA1 GLN 111 HB3 0.02 -0.14 0.11 -0.04 2.02 1.97 1mioA1 GLN 111 HG2 0.02 0.26 -0.19 -0.04 2.40 2.45 1mioA1 GLN 111 HG3 0.02 0.05 -0.02 -0.04 2.39 2.40 1mioA1 GLN 111 HE21 -0.00 -0.00 -0.01 -0.04 6.97 6.91 1mioA1 GLN 111 HE22 0.01 0.06 -0.20 -0.04 7.69 7.51 1mioA1 GLU 112 H 0.00 0.26 0.17 -0.55 8.60 8.48 1mioA1 GLU 112 HA -0.03 0.12 0.40 -0.75 4.29 4.03 1mioA1 GLU 112 HB2 -0.01 0.08 0.13 -0.04 2.09 2.24 1mioA1 GLU 112 HB3 -0.00 -0.01 0.21 -0.04 1.99 2.14 1mioA1 GLU 112 HG2 -0.01 0.07 0.01 -0.04 2.34 2.37 1mioA1 GLU 112 HG3 -0.02 0.01 -0.20 -0.04 2.34 2.09 1mioA1 SER 113 H 0.03 0.12 -0.03 -0.55 8.46 8.03 1mioA1 SER 113 HA -0.02 0.17 0.30 -0.75 4.49 4.18 1mioA1 SER 113 HB2 0.31 0.11 -0.02 -0.04 3.95 4.30 1mioA1 SER 113 HB3 0.13 0.07 0.06 -0.04 3.93 4.14 1mioA1 ASP 114 H 0.04 -0.01 -0.46 -0.55 8.40 7.43 1mioA1 ASP 114 HA 0.09 0.14 0.15 -0.75 4.63 4.26 1mioA1 ASP 114 HB2 0.02 0.23 0.04 -0.04 2.71 2.95 1mioA1 ASP 114 HB3 0.04 -0.11 -0.04 -0.04 2.70 2.55 1mioA1 ILE 115 H -0.02 0.34 -0.18 -0.55 8.25 7.84 1mioA1 ILE 115 HA -0.02 0.02 0.58 -0.75 4.18 4.01 1mioA1 ILE 115 HB -0.05 0.14 0.21 -0.04 1.89 2.15 1mioA1 ILE 115 HG12 -0.02 0.15 0.06 -0.04 1.49 1.64 1mioA1 ILE 115 HG13 -0.03 -0.01 -0.01 -0.04 1.21 1.12 1mioA1 ILE 115 HG23 -0.04 0.01 -0.02 -0.04 0.93 0.83 1mioA1 ILE 115 HD13 -0.03 -0.03 -0.05 -0.04 0.88 0.74 1mioA1 VAL 116 H -0.17 0.34 -0.07 -0.55 8.24 7.80 1mioA1 VAL 116 HA -0.18 0.11 0.11 -0.75 4.13 3.41 1mioA1 VAL 116 HB -0.48 0.03 0.11 -0.04 2.12 1.74 1mioA1 VAL 116 HG13 -0.18 0.03 0.04 -0.04 0.97 0.82 1mioA1 VAL 116 HG23 -1.11 -0.01 -0.02 -0.04 0.95 -0.24 1mioA1 PHE 117 H -0.02 0.15 -0.33 -0.55 8.34 7.58 1mioA1 PHE 117 HA 0.01 0.24 0.98 -0.75 4.62 5.09 1mioA1 PHE 117 HB2 0.01 -0.00 -0.00 -0.04 3.15 3.12 1mioA1 PHE 117 HB3 0.01 -0.04 0.15 -0.04 3.06 3.14 1mioA1 PHE 117 HD2 0.01 0.01 0.01 -0.04 7.28 7.26 1mioA1 PHE 117 HE2 0.00 -0.03 -0.02 -0.04 7.38 7.30 1mioA1 PHE 117 HZ 0.00 -0.01 -0.02 -0.04 7.32 7.25 1mioA1 GLY 118 H 0.07 0.32 -0.19 -0.55 8.43 8.08 1mioA1 GLY 118 HA2 0.07 0.02 0.46 -0.51 4.01 4.05 1mioA1 GLY 118 HA3 0.09 0.12 0.56 -0.51 4.01 4.27 1mioA1 GLY 119 H 0.09 0.19 0.06 -0.55 8.43 8.23 1mioA1 GLY 119 HA2 0.10 0.15 0.51 -0.51 4.01 4.25 1mioA1 GLY 119 HA3 0.14 -0.01 0.35 -0.51 4.01 3.97 1mioA1 VAL 120 H 0.10 0.54 -0.69 -0.55 8.24 7.65 1mioA1 VAL 120 HA 0.02 0.02 0.36 -0.75 4.13 3.78 1mioA1 VAL 120 HB 0.07 -0.02 0.01 -0.04 2.12 2.14 1mioA1 VAL 120 HG13 0.04 0.09 0.01 -0.04 0.97 1.07 1mioA1 VAL 120 HG23 0.01 0.00 -0.06 -0.04 0.95 0.86 1mioA1 ASN 121 H 0.05 0.25 -0.07 -0.55 8.53 8.21 1mioA1 ASN 121 HA 0.01 0.14 0.51 -0.75 4.76 4.67 1mioA1 ASN 121 HB2 0.02 0.07 0.10 -0.04 2.88 3.02 1mioA1 ASN 121 HB3 0.03 0.02 0.04 -0.04 2.79 2.83 1mioA1 ASN 121 HD21 -0.01 0.08 0.01 -0.04 7.03 7.06 1mioA1 ASN 121 HD22 0.00 -0.09 0.13 -0.04 7.74 7.74 1mioA1 LYS 122 H 0.06 0.06 -0.37 -0.55 8.42 7.62 1mioA1 LYS 122 HA 0.03 0.14 0.43 -0.75 4.32 4.17 1mioA1 LYS 122 HB2 0.09 -0.08 0.07 -0.04 1.87 1.91 1mioA1 LYS 122 HB3 0.09 0.01 -0.13 -0.04 1.79 1.73 1mioA1 LYS 122 HG2 0.04 0.05 0.03 -0.04 1.46 1.54 1mioA1 LYS 122 HG3 0.05 0.01 -0.04 -0.04 1.46 1.44 1mioA1 LYS 122 HD2 0.05 0.03 -0.05 -0.04 1.69 1.67 1mioA1 LYS 122 HD3 0.07 -0.08 -0.09 -0.04 1.68 1.54 1mioA1 LYS 122 HE2 0.07 -0.04 -0.09 -0.04 2.99 2.89 1mioA1 LYS 122 HE3 0.05 0.07 -0.02 -0.04 2.99 3.04 1mioA1 LEU 123 H 0.00 0.28 -0.41 -0.55 8.37 7.70 1mioA1 LEU 123 HA -0.02 0.02 0.35 -0.75 4.35 3.95 1mioA1 LEU 123 HB2 -0.48 -0.01 0.07 -0.04 1.64 1.18 1mioA1 LEU 123 HB3 -0.20 0.18 0.11 -0.04 1.64 1.68 1mioA1 LEU 123 HG -0.15 0.07 -0.19 -0.04 1.64 1.33 1mioA1 LEU 123 HD13 -0.10 -0.02 -0.07 -0.04 0.93 0.70 1mioA1 LEU 123 HD23 -0.57 -0.02 -0.05 -0.04 0.89 0.21 1mioA1 LYS 124 H -0.01 0.34 -0.20 -0.55 8.42 8.00 1mioA1 LYS 124 HA 0.05 0.01 0.28 -0.75 4.32 3.90 1mioA1 LYS 124 HB2 0.01 -0.01 0.11 -0.04 1.87 1.94 1mioA1 LYS 124 HB3 0.02 0.11 0.16 -0.04 1.79 2.04 1mioA1 LYS 124 HG2 0.02 -0.02 -0.01 -0.04 1.46 1.41 1mioA1 LYS 124 HG3 0.05 0.05 -0.17 -0.04 1.46 1.36 1mioA1 LYS 124 HD2 0.15 -0.02 0.04 -0.04 1.69 1.81 1mioA1 LYS 124 HD3 0.04 -0.03 0.02 -0.04 1.68 1.66 1mioA1 LYS 124 HE2 0.05 -0.00 -0.03 -0.04 2.99 2.97 1mioA1 LYS 124 HE3 0.14 0.03 -0.04 -0.04 2.99 3.07 1mioA1 ASP 125 H 0.02 0.34 -0.23 -0.55 8.40 7.98 1mioA1 ASP 125 HA -0.05 0.11 0.38 -0.75 4.63 4.32 1mioA1 ASP 125 HB2 0.01 -0.03 0.13 -0.04 2.71 2.77 1mioA1 ASP 125 HB3 -0.02 0.02 0.02 -0.04 2.70 2.67 1mioA1 ALA 126 H 0.04 0.66 -0.03 -0.55 8.40 8.53 1mioA1 ALA 126 HA 0.05 0.01 0.39 -0.75 4.34 4.03 1mioA1 ALA 126 HB3 0.05 -0.03 0.06 -0.04 1.41 1.45 1mioA1 ILE 127 H 0.06 0.58 -0.33 -0.55 8.25 8.02 1mioA1 ILE 127 HA -0.01 -0.08 0.42 -0.75 4.18 3.75 1mioA1 ILE 127 HB 0.01 0.29 0.06 -0.04 1.89 2.20 1mioA1 ILE 127 HG12 -0.09 -0.03 -0.14 -0.04 1.49 1.20 1mioA1 ILE 127 HG13 -0.09 -0.03 -0.07 -0.04 1.21 0.98 1mioA1 ILE 127 HG23 -0.29 -0.01 -0.14 -0.04 0.93 0.45 1mioA1 ILE 127 HD13 -0.03 -0.02 -0.18 -0.04 0.88 0.61 1mioA1 HIS 128 H 0.42 0.49 -0.45 -0.55 8.41 8.33 1mioA1 HIS 128 HA 0.14 0.00 0.92 -0.75 4.63 4.94 1mioA1 HIS 128 HB2 0.06 0.02 0.18 -0.04 3.26 3.48 1mioA1 HIS 128 HB3 0.17 0.03 0.06 -0.04 3.20 3.42 1mioA1 HIS 128 HD2 0.01 0.04 -0.03 -0.04 6.97 6.94 1mioA1 HIS 128 HE1 -0.03 -0.08 -0.01 -0.04 7.75 7.58 1mioA1 GLU 129 H 0.06 0.07 -0.50 -0.55 8.60 7.69 1mioA1 GLU 129 HA -0.05 0.07 0.19 -0.75 4.29 3.74 1mioA1 GLU 129 HB2 0.02 0.26 0.17 -0.04 2.09 2.51 1mioA1 GLU 129 HB3 0.01 -0.02 0.17 -0.04 1.99 2.11 1mioA1 GLU 129 HG2 -0.02 -0.04 0.04 -0.04 2.34 2.27 1mioA1 GLU 129 HG3 -0.04 -0.01 0.09 -0.04 2.34 2.34 1mioA1 ALA 130 H 0.02 0.67 0.07 -0.55 8.40 8.61 1mioA1 ALA 130 HA 0.07 0.04 0.32 -0.75 4.34 4.01 1mioA1 ALA 130 HB3 -0.06 0.04 0.12 -0.04 1.41 1.47 1mioA1 TYR 131 H 0.07 0.52 0.14 -0.55 8.29 8.47 1mioA1 TYR 131 HA -0.14 0.04 0.62 -0.75 4.56 4.33 1mioA1 TYR 131 HB2 -0.10 0.00 0.09 -0.04 3.06 3.01 1mioA1 TYR 131 HB3 -0.09 0.04 0.22 -0.04 2.98 3.11 1mioA1 TYR 131 HD2 0.01 -0.07 -0.01 -0.04 7.15 7.04 1mioA1 TYR 131 HE2 0.11 0.01 -0.00 -0.04 6.85 6.92 1mioA1 GLU 132 H -0.25 -0.00 -0.32 -0.55 8.60 7.49 1mioA1 GLU 132 HA -0.70 0.12 0.44 -0.75 4.29 3.39 1mioA1 GLU 132 HB2 -0.12 -0.08 0.01 -0.04 2.09 1.86 1mioA1 GLU 132 HB3 -0.20 0.07 0.11 -0.04 1.99 1.93 1mioA1 GLU 132 HG2 -0.15 0.03 -0.17 -0.04 2.34 2.01 1mioA1 GLU 132 HG3 -0.11 0.02 -0.02 -0.04 2.34 2.19 1mioA1 MET 133 H -0.43 0.59 0.07 -0.55 8.47 8.16 1mioA1 MET 133 HA -0.39 0.05 0.47 -0.75 4.52 3.89 1mioA1 MET 133 HB2 -1.07 -0.01 0.08 -0.04 2.15 1.11 1mioA1 MET 133 HB3 -1.05 -0.03 -0.01 -0.04 2.03 0.90 1mioA1 MET 133 HG2 -0.28 -0.01 0.01 -0.04 2.63 2.30 1mioA1 MET 133 HG3 -0.29 0.02 0.07 -0.04 2.56 2.32 1mioA1 MET 133 HE3 -0.26 0.00 -0.04 -0.04 2.10 1.76 1mioA1 PHE 134 H -0.51 0.52 -0.09 -0.55 8.34 7.71 1mioA1 PHE 134 HA -0.01 0.21 0.81 -0.75 4.62 4.87 1mioA1 PHE 134 HB2 -0.30 0.05 -0.00 -0.04 3.15 2.86 1mioA1 PHE 134 HB3 -0.00 -0.04 -0.12 -0.04 3.06 2.86 1mioA1 PHE 134 HD2 -0.24 0.05 -0.00 -0.04 7.28 7.05 1mioA1 PHE 134 HE2 -0.11 -0.05 -0.06 -0.04 7.38 7.13 1mioA1 PHE 134 HZ -0.02 -0.04 -0.06 -0.04 7.32 7.17 1mioA1 HIS 135 H -0.39 0.11 -0.03 -0.55 8.41 7.56 1mioA1 HIS 135 HA 0.00 0.02 0.47 -0.75 4.63 4.37 1mioA1 HIS 135 HB2 0.03 0.12 0.35 -0.04 3.26 3.72 1mioA1 HIS 135 HB3 0.03 -0.04 0.18 -0.04 3.20 3.33 1mioA1 HIS 135 HD2 -0.08 -0.01 -0.23 -0.04 6.97 6.60 1mioA1 HIS 135 HE1 -0.49 -0.14 0.01 -0.04 7.75 7.09 1mioA1 PRO 136 HA 0.23 0.12 0.49 -0.51 4.44 4.77 1mioA1 PRO 136 HB2 0.01 0.04 -0.21 -0.04 2.28 2.08 1mioA1 PRO 136 HB3 0.04 -0.06 0.08 -0.04 2.02 2.04 1mioA1 PRO 136 HG2 -0.06 -0.07 -0.10 -0.04 2.03 1.75 1mioA1 PRO 136 HG3 -0.05 0.03 -0.16 -0.04 2.03 1.81 1mioA1 PRO 136 HD2 0.15 0.08 0.09 -0.04 3.68 3.96 1mioA1 PRO 136 HD3 0.04 0.07 0.09 -0.04 3.65 3.81 1mioA1 ALA 137 H 0.03 0.54 0.33 -0.55 8.40 8.76 1mioA1 ALA 137 HA 0.06 0.14 0.75 -0.75 4.34 4.53 1mioA1 ALA 137 HB3 0.09 -0.05 0.17 -0.04 1.41 1.58 1mioA1 ALA 138 H -0.24 0.17 0.31 -0.55 8.40 8.09 1mioA1 ALA 138 HA -0.29 0.19 0.64 -0.75 4.34 4.13 1mioA1 ALA 138 HB3 -0.81 0.04 0.05 -0.04 1.41 0.66 1mioA1 ILE 139 H -0.16 0.44 -0.00 -0.55 8.25 7.98 1mioA1 ILE 139 HA -0.13 0.06 0.89 -0.75 4.18 4.24 1mioA1 ILE 139 HB -0.12 -0.01 -0.00 -0.04 1.89 1.71 1mioA1 ILE 139 HG12 -0.10 -0.04 0.02 -0.04 1.49 1.32 1mioA1 ILE 139 HG13 -0.06 0.03 -0.34 -0.04 1.21 0.80 1mioA1 ILE 139 HG23 -0.08 -0.02 -0.11 -0.04 0.93 0.68 1mioA1 ILE 139 HD13 -0.03 -0.01 -0.02 -0.04 0.88 0.77 1mioA1 GLY 140 H -0.02 0.74 0.35 -0.55 8.43 8.96 1mioA1 GLY 140 HA2 0.11 0.19 1.04 -0.51 4.01 4.83 1mioA1 GLY 140 HA3 0.17 0.01 0.28 -0.51 4.01 3.96 1mioA1 VAL 141 H -0.07 0.64 0.17 -0.55 8.24 8.43 1mioA1 VAL 141 HA 0.06 0.24 0.76 -0.75 4.13 4.45 1mioA1 VAL 141 HB -0.06 -0.09 0.07 -0.04 2.12 1.99 1mioA1 VAL 141 HG13 0.01 -0.04 -0.13 -0.04 0.97 0.76 1mioA1 VAL 141 HG23 -0.05 0.03 -0.28 -0.04 0.95 0.61 1mioA1 TYR 142 H 0.33 0.34 0.33 -0.55 8.29 8.74 1mioA1 TYR 142 HA 0.22 0.42 1.44 -0.75 4.56 5.88 1mioA1 TYR 142 HB2 0.21 -0.01 -0.02 -0.04 3.06 3.21 1mioA1 TYR 142 HB3 0.16 -0.07 0.11 -0.04 2.98 3.15 1mioA1 TYR 142 HD2 0.02 0.04 -0.29 -0.04 7.15 6.88 1mioA1 TYR 142 HE2 -0.28 0.01 -0.20 -0.04 6.85 6.33 1mioA1 ALA 143 H 0.24 0.03 0.10 -0.55 8.40 8.22 1mioA1 ALA 143 HA 0.15 0.11 0.58 -0.75 4.34 4.42 1mioA1 ALA 143 HB3 0.11 -0.01 0.01 -0.04 1.41 1.48 1mioA1 THR 144 H -0.01 0.37 0.23 -0.55 8.28 8.32 1mioA1 THR 144 HA -0.09 0.12 0.78 -0.75 4.39 4.44 1mioA1 THR 144 HB -0.20 -0.06 0.19 -0.04 4.32 4.21 1mioA1 THR 144 HG23 -0.38 0.04 -0.19 -0.04 1.22 0.65 1mioA1 CYS 145 H -0.04 0.13 0.18 -0.55 8.50 8.22 1mioA1 CYS 145 HA 0.10 -0.04 0.38 -0.75 4.58 4.26 1mioA1 CYS 145 HB2 0.04 0.05 0.15 -0.04 2.97 3.17 1mioA1 CYS 145 HB3 0.16 0.10 0.03 -0.04 2.97 3.22 1mioA1 PRO 146 HA 0.05 0.13 0.41 -0.51 4.44 4.52 1mioA1 PRO 146 HB2 -0.01 0.07 0.03 -0.04 2.28 2.32 1mioA1 PRO 146 HB3 0.00 0.08 0.09 -0.04 2.02 2.14 1mioA1 PRO 146 HG2 -0.05 0.01 0.00 -0.04 2.03 1.95 1mioA1 PRO 146 HG3 -0.03 0.05 0.04 -0.04 2.03 2.05 1mioA1 PRO 146 HD2 -0.03 -0.04 -0.19 -0.04 3.68 3.39 1mioA1 PRO 146 HD3 0.00 0.13 0.12 -0.04 3.65 3.85 1mioA1 VAL 147 H 0.01 0.28 -0.28 -0.55 8.24 7.70 1mioA1 VAL 147 HA 0.02 -0.00 0.24 -0.75 4.13 3.63 1mioA1 VAL 147 HB 0.05 0.06 0.09 -0.04 2.12 2.28 1mioA1 VAL 147 HG13 0.17 0.01 0.03 -0.04 0.97 1.14 1mioA1 VAL 147 HG23 -0.14 0.01 0.09 -0.04 0.95 0.88 1mioA1 GLY 148 H 0.11 0.19 -0.16 -0.55 8.43 8.03 1mioA1 GLY 148 HA2 0.10 0.07 0.42 -0.51 4.01 4.09 1mioA1 GLY 148 HA3 0.21 0.03 0.30 -0.51 4.01 4.04 1mioA1 LEU 149 H 0.15 0.11 -0.08 -0.55 8.37 8.00 1mioA1 LEU 149 HA 0.02 0.06 0.38 -0.75 4.35 4.05 1mioA1 LEU 149 HB2 0.04 -0.03 0.22 -0.04 1.64 1.83 1mioA1 LEU 149 HB3 -0.00 0.03 0.03 -0.04 1.64 1.67 1mioA1 LEU 149 HG -0.06 0.04 0.03 -0.04 1.64 1.61 1mioA1 LEU 149 HD13 -0.15 0.02 0.02 -0.04 0.93 0.77 1mioA1 LEU 149 HD23 -0.02 -0.02 -0.06 -0.04 0.89 0.75 1mioA1 ILE 150 H 0.04 0.53 -0.12 -0.55 8.25 8.16 1mioA1 ILE 150 HA 0.02 0.12 0.36 -0.75 4.18 3.93 1mioA1 ILE 150 HB 0.02 0.18 0.06 -0.04 1.89 2.11 1mioA1 ILE 150 HG12 0.00 -0.14 0.20 -0.04 1.49 1.51 1mioA1 ILE 150 HG13 0.01 0.15 0.18 -0.04 1.21 1.51 1mioA1 ILE 150 HG23 0.04 -0.06 -0.03 -0.04 0.93 0.84 1mioA1 ILE 150 HD13 -0.01 -0.02 -0.01 -0.04 0.88 0.80 1mioA1 GLY 151 H 0.05 0.38 -0.30 -0.55 8.43 8.02 1mioA1 GLY 151 HA2 0.04 0.04 0.27 -0.51 4.01 3.84 1mioA1 GLY 151 HA3 0.04 0.16 0.57 -0.51 4.01 4.26 1mioA1 ASP 152 H 0.07 0.10 -0.23 -0.55 8.40 7.79 1mioA1 ASP 152 HA 0.06 0.09 0.29 -0.75 4.63 4.32 1mioA1 ASP 152 HB2 0.20 -0.07 0.04 -0.04 2.71 2.84 1mioA1 ASP 152 HB3 0.11 -0.03 -0.09 -0.04 2.70 2.66 1mioA1 ASP 153 H 0.03 0.26 0.24 -0.55 8.40 8.38 1mioA1 ASP 153 HA 0.03 0.08 0.83 -0.75 4.63 4.81 1mioA1 ASP 153 HB2 0.02 0.19 0.07 -0.04 2.71 2.95 1mioA1 ASP 153 HB3 0.01 0.05 0.25 -0.04 2.70 2.97 1mioA1 ILE 154 H 0.03 0.39 0.05 -0.55 8.25 8.17 1mioA1 ILE 154 HA -0.06 0.06 0.20 -0.75 4.18 3.62 1mioA1 ILE 154 HB -0.03 0.01 -0.03 -0.04 1.89 1.81 1mioA1 ILE 154 HG12 0.03 0.05 0.02 -0.04 1.49 1.56 1mioA1 ILE 154 HG13 -0.02 0.06 -0.20 -0.04 1.21 1.01 1mioA1 ILE 154 HG23 0.08 0.03 -0.03 -0.04 0.93 0.97 1mioA1 ILE 154 HD13 0.06 -0.01 -0.24 -0.04 0.88 0.65 1mioA1 LEU 155 H -0.02 0.08 -0.30 -0.55 8.37 7.57 1mioA1 LEU 155 HA -0.07 0.08 0.34 -0.75 4.35 3.94 1mioA1 LEU 155 HB2 -0.04 -0.04 0.06 -0.04 1.64 1.58 1mioA1 LEU 155 HB3 -0.03 0.02 0.01 -0.04 1.64 1.60 1mioA1 LEU 155 HG -0.06 0.03 0.04 -0.04 1.64 1.60 1mioA1 LEU 155 HD13 -0.09 0.00 0.02 -0.04 0.93 0.83 1mioA1 LEU 155 HD23 -0.04 0.02 -0.05 -0.04 0.89 0.79 1mioA1 ALA 156 H -0.03 0.09 -0.16 -0.55 8.40 7.76 1mioA1 ALA 156 HA -0.04 0.14 0.56 -0.75 4.34 4.25 1mioA1 ALA 156 HB3 -0.02 0.04 0.09 -0.04 1.41 1.48 1mioA1 VAL 157 H -0.04 0.43 -0.05 -0.55 8.24 8.03 1mioA1 VAL 157 HA -0.03 0.05 0.36 -0.75 4.13 3.75 1mioA1 VAL 157 HB -0.07 -0.04 0.06 -0.04 2.12 2.03 1mioA1 VAL 157 HG13 -0.06 -0.01 -0.20 -0.04 0.97 0.67 1mioA1 VAL 157 HG23 -0.03 0.02 0.00 -0.04 0.95 0.90 1mioA1 ALA 158 H -0.07 0.51 -0.24 -0.55 8.40 8.05 1mioA1 ALA 158 HA -0.10 -0.04 0.20 -0.75 4.34 3.65 1mioA1 ALA 158 HB3 -0.09 0.06 0.05 -0.04 1.41 1.38 1mioA1 ALA 159 H -0.07 0.44 -0.04 -0.55 8.40 8.18 1mioA1 ALA 159 HA -0.09 0.06 0.33 -0.75 4.34 3.89 1mioA1 ALA 159 HB3 -0.06 0.02 0.17 -0.04 1.41 1.50 1mioA1 THR 160 H -0.06 0.40 -0.24 -0.55 8.28 7.84 1mioA1 THR 160 HA -0.05 0.04 0.47 -0.75 4.39 4.09 1mioA1 THR 160 HB -0.04 0.06 0.19 -0.04 4.32 4.49 1mioA1 THR 160 HG23 -0.02 -0.02 -0.05 -0.04 1.22 1.08 1mioA1 ALA 161 H -0.09 0.64 0.11 -0.55 8.40 8.51 1mioA1 ALA 161 HA -0.13 -0.02 0.35 -0.75 4.34 3.78 1mioA1 ALA 161 HB3 -0.22 -0.01 0.07 -0.04 1.41 1.22 1mioA1 SER 162 H -0.14 0.65 -0.19 -0.55 8.46 8.23 1mioA1 SER 162 HA -0.20 0.03 0.34 -0.75 4.49 3.90 1mioA1 SER 162 HB2 -0.16 -0.07 0.15 -0.04 3.95 3.83 1mioA1 SER 162 HB3 -0.12 0.24 0.16 -0.04 3.93 4.16 1mioA1 LYS 163 H -0.10 0.40 -0.08 -0.55 8.42 8.08 1mioA1 LYS 163 HA -0.07 0.04 0.48 -0.75 4.32 4.02 1mioA1 LYS 163 HB2 -0.06 -0.01 0.19 -0.04 1.87 1.95 1mioA1 LYS 163 HB3 -0.06 0.28 0.28 -0.04 1.79 2.24 1mioA1 LYS 163 HG2 -0.04 -0.01 -0.13 -0.04 1.46 1.24 1mioA1 LYS 163 HG3 -0.04 -0.04 0.04 -0.04 1.46 1.38 1mioA1 LYS 163 HD2 -0.03 0.00 0.05 -0.04 1.69 1.67 1mioA1 LYS 163 HD3 -0.03 -0.07 0.01 -0.04 1.68 1.55 1mioA1 LYS 163 HE2 -0.03 -0.04 0.01 -0.04 2.99 2.89 1mioA1 LYS 163 HE3 -0.04 0.12 0.06 -0.04 2.99 3.09 1mioA1 GLU 164 H -0.10 0.37 -0.14 -0.55 8.60 8.19 1mioA1 GLU 164 HA -0.05 -0.01 0.43 -0.75 4.29 3.91 1mioA1 GLU 164 HB2 -0.11 0.12 0.22 -0.04 2.09 2.29 1mioA1 GLU 164 HB3 -0.05 -0.03 -0.08 -0.04 1.99 1.79 1mioA1 GLU 164 HG2 0.07 -0.06 -0.00 -0.04 2.34 2.30 1mioA1 GLU 164 HG3 0.00 -0.01 0.03 -0.04 2.34 2.32 1mioA1 ILE 165 H -0.25 0.67 0.01 -0.55 8.25 8.13 1mioA1 ILE 165 HA -0.52 -0.02 0.41 -0.75 4.18 3.30 1mioA1 ILE 165 HB -0.40 0.21 0.01 -0.04 1.89 1.68 1mioA1 ILE 165 HG12 -1.13 -0.05 -0.01 -0.04 1.49 0.26 1mioA1 ILE 165 HG13 -0.41 -0.03 -0.08 -0.04 1.21 0.66 1mioA1 ILE 165 HG23 -0.61 -0.02 -0.15 -0.04 0.93 0.11 1mioA1 ILE 165 HD13 -0.62 -0.03 -0.17 -0.04 0.88 0.02 1mioA1 GLY 166 H -0.17 0.44 -0.39 -0.55 8.43 7.77 1mioA1 GLY 166 HA2 -0.08 0.01 0.35 -0.51 4.01 3.78 1mioA1 GLY 166 HA3 -0.08 0.06 0.78 -0.51 4.01 4.27 1mioA1 ILE 167 H -0.15 0.18 -0.33 -0.55 8.25 7.40 1mioA1 ILE 167 HA -0.05 0.12 0.35 -0.75 4.18 3.84 1mioA1 ILE 167 HB -0.17 -0.10 -0.13 -0.04 1.89 1.45 1mioA1 ILE 167 HG12 0.03 0.18 -0.08 -0.04 1.49 1.57 1mioA1 ILE 167 HG13 0.04 -0.02 0.00 -0.04 1.21 1.19 1mioA1 ILE 167 HG23 -0.10 0.01 -0.48 -0.04 0.93 0.33 1mioA1 ILE 167 HD13 0.25 -0.03 -0.14 -0.04 0.88 0.92 1mioA1 PRO 168 HA -0.24 0.13 0.60 -0.51 4.44 4.42 1mioA1 PRO 168 HB2 -0.29 -0.14 0.28 -0.04 2.28 2.09 1mioA1 PRO 168 HB3 -0.32 0.05 0.11 -0.04 2.02 1.83 1mioA1 PRO 168 HG2 0.24 0.01 0.09 -0.04 2.03 2.32 1mioA1 PRO 168 HG3 0.04 0.09 0.09 -0.04 2.03 2.20 1mioA1 PRO 168 HD2 -0.06 0.35 0.32 -0.04 3.68 4.26 1mioA1 PRO 168 HD3 -0.01 0.17 0.15 -0.04 3.65 3.92 1mioA1 VAL 169 H -0.22 0.31 0.15 -0.55 8.24 7.93 1mioA1 VAL 169 HA -0.16 0.12 0.87 -0.75 4.13 4.20 1mioA1 VAL 169 HB -0.16 0.09 0.11 -0.04 2.12 2.12 1mioA1 VAL 169 HG13 -0.11 -0.05 -0.26 -0.04 0.97 0.51 1mioA1 VAL 169 HG23 -0.18 0.03 -0.11 -0.04 0.95 0.64 1mioA1 HIS 170 H 0.01 0.69 0.35 -0.55 8.41 8.91 1mioA1 HIS 170 HA -0.14 0.17 0.66 -0.75 4.63 4.57 1mioA1 HIS 170 HB2 0.15 -0.02 0.17 -0.04 3.26 3.53 1mioA1 HIS 170 HB3 -0.11 -0.05 -0.06 -0.04 3.20 2.94 1mioA1 HIS 170 HD2 0.00 -0.05 -0.02 -0.04 6.97 6.86 1mioA1 HIS 170 HE1 0.10 0.38 0.03 -0.04 7.75 8.21 1mioA1 ALA 171 H -0.15 0.22 0.13 -0.55 8.40 8.05 1mioA1 ALA 171 HA -0.11 0.10 0.84 -0.75 4.34 4.41 1mioA1 ALA 171 HB3 -0.09 -0.01 -0.11 -0.04 1.41 1.16 1mioA1 PHE 172 H -0.01 0.70 0.29 -0.55 8.34 8.76 1mioA1 PHE 172 HA -0.06 0.18 0.79 -0.75 4.62 4.78 1mioA1 PHE 172 HB2 -0.25 -0.00 0.13 -0.04 3.15 2.99 1mioA1 PHE 172 HB3 -0.00 -0.06 -0.14 -0.04 3.06 2.81 1mioA1 PHE 172 HD2 -0.33 0.02 -0.08 -0.04 7.28 6.85 1mioA1 PHE 172 HE2 -0.05 0.06 -0.03 -0.04 7.38 7.32 1mioA1 PHE 172 HZ -0.10 0.04 -0.15 -0.04 7.32 7.08 1mioA1 SER 173 H 0.01 0.22 0.02 -0.55 8.46 8.16 1mioA1 SER 173 HA 0.07 0.06 0.66 -0.75 4.49 4.53 1mioA1 SER 173 HB2 0.00 0.06 0.20 -0.04 3.95 4.18 1mioA1 SER 173 HB3 0.00 -0.02 0.10 -0.04 3.93 3.98 1mioA1 CYS 174 H 0.14 0.49 0.15 -0.55 8.50 8.73 1mioA1 CYS 174 HA 0.00 0.23 0.82 -0.75 4.58 4.88 1mioA1 CYS 174 HB2 0.06 -0.25 -0.20 -0.04 2.97 2.54 1mioA1 CYS 174 HB3 0.07 0.05 -0.15 -0.04 2.97 2.89 1mioA1 GLU 175 H -0.08 0.12 -0.17 -0.55 8.60 7.93 1mioA1 GLU 175 HA -0.06 0.09 0.30 -0.75 4.29 3.86 1mioA1 GLU 175 HB2 -0.74 -0.13 -0.12 -0.04 2.09 1.06 1mioA1 GLU 175 HB3 -0.14 0.24 -0.26 -0.04 1.99 1.80 1mioA1 GLU 175 HG2 -0.42 0.01 0.06 -0.04 2.34 1.95 1mioA1 GLU 175 HG3 -0.49 0.05 0.04 -0.04 2.34 1.90 1mioA1 GLY 176 H -0.05 0.08 0.33 -0.55 8.43 8.25 1mioA1 GLY 176 HA2 -0.01 -0.22 0.45 -0.51 4.01 3.71 1mioA1 GLY 176 HA3 0.00 0.02 0.42 -0.51 4.01 3.94 1mioA1 TYR 177 H -0.27 0.06 -0.38 -0.55 8.29 7.15 1mioA1 TYR 177 HA 0.01 0.14 0.72 -0.75 4.56 4.68 1mioA1 TYR 177 HB2 0.01 0.07 0.10 -0.04 3.06 3.20 1mioA1 TYR 177 HB3 0.01 -0.06 0.07 -0.04 2.98 2.96 1mioA1 TYR 177 HD2 0.01 -0.04 -0.18 -0.04 7.15 6.90 1mioA1 TYR 177 HE2 0.01 0.13 0.05 -0.04 6.85 6.99 1mioA1 LYS 178 H -0.28 0.51 0.09 -0.55 8.42 8.19 1mioA1 LYS 178 HA 0.03 0.13 0.68 -0.75 4.32 4.40 1mioA1 LYS 178 HB2 -0.14 -0.01 -0.08 -0.04 1.87 1.60 1mioA1 LYS 178 HB3 -0.06 -0.06 -0.11 -0.04 1.79 1.51 1mioA1 LYS 178 HG2 -0.05 0.06 0.07 -0.04 1.46 1.51 1mioA1 LYS 178 HG3 -0.34 -0.03 0.04 -0.04 1.46 1.09 1mioA1 LYS 178 HD2 -0.21 -0.16 -0.08 -0.04 1.69 1.19 1mioA1 LYS 178 HD3 -0.08 0.03 -0.04 -0.04 1.68 1.55 1mioA1 LYS 178 HE2 -0.06 -0.08 -0.01 -0.04 2.99 2.80 1mioA1 LYS 178 HE3 -0.03 0.10 0.05 -0.04 2.99 3.06 1mioA1 GLY 179 H 0.01 0.31 0.20 -0.55 8.43 8.40 1mioA1 GLY 179 HA2 0.01 0.05 0.24 -0.51 4.01 3.80 1mioA1 GLY 179 HA3 -0.01 -0.11 0.58 -0.51 4.01 3.96 1mioA1 VAL 180 H 0.02 -0.06 0.22 -0.55 8.24 7.87 1mioA1 VAL 180 HA 0.04 0.22 0.43 -0.75 4.13 4.07 1mioA1 VAL 180 HB 0.06 0.15 0.13 -0.04 2.12 2.42 1mioA1 VAL 180 HG13 0.03 0.00 -0.18 -0.04 0.97 0.78 1mioA1 VAL 180 HG23 0.05 -0.01 -0.20 -0.04 0.95 0.75 1mioA1 SER 181 H 0.01 0.15 0.25 -0.55 8.46 8.32 1mioA1 SER 181 HA 0.05 0.35 0.44 -0.75 4.49 4.58 1mioA1 SER 181 HB2 0.19 -0.24 0.10 -0.04 3.95 3.96 1mioA1 SER 181 HB3 0.17 0.38 -0.11 -0.04 3.93 4.33 1mioA1 GLN 182 H -0.15 0.15 0.01 -0.55 8.47 7.94 1mioA1 GLN 182 HA -0.25 0.24 0.22 -0.75 4.36 3.81 1mioA1 GLN 182 HB2 -0.99 -0.01 -0.03 -0.04 2.15 1.07 1mioA1 GLN 182 HB3 -0.53 0.03 0.05 -0.04 2.02 1.52 1mioA1 GLN 182 HG2 -0.12 0.08 -0.06 -0.04 2.40 2.26 1mioA1 GLN 182 HG3 -0.11 0.04 0.02 -0.04 2.39 2.30 1mioA1 GLN 182 HE21 0.31 0.05 0.03 -0.04 6.97 7.32 1mioA1 GLN 182 HE22 0.16 0.05 -0.01 -0.04 7.69 7.85 1mioA1 SER 183 H -0.30 0.11 -0.36 -0.55 8.46 7.36 1mioA1 SER 183 HA -0.56 0.09 0.45 -0.75 4.49 3.72 1mioA1 SER 183 HB2 0.17 -0.01 -0.01 -0.04 3.95 4.06 1mioA1 SER 183 HB3 0.42 0.11 -0.01 -0.04 3.93 4.41 1mioA1 ALA 184 H -0.09 0.16 -0.19 -0.55 8.40 7.73 1mioA1 ALA 184 HA -0.02 0.12 0.30 -0.75 4.34 3.98 1mioA1 ALA 184 HB3 -0.05 0.02 0.02 -0.04 1.41 1.36 1mioA1 GLY 185 H -0.22 0.12 -0.40 -0.55 8.43 7.38 1mioA1 GLY 185 HA2 -0.07 0.04 0.38 -0.51 4.01 3.85 1mioA1 GLY 185 HA3 -0.18 0.09 0.24 -0.51 4.01 3.66 1mioA1 HIS 186 H -0.44 0.22 -0.19 -0.55 8.41 7.47 1mioA1 HIS 186 HA -0.08 0.06 0.30 -0.75 4.63 4.15 1mioA1 HIS 186 HB2 0.12 0.13 0.01 -0.04 3.26 3.49 1mioA1 HIS 186 HB3 0.09 0.03 0.15 -0.04 3.20 3.43 1mioA1 HIS 186 HD2 0.06 0.07 -0.08 -0.04 6.97 6.97 1mioA1 HIS 186 HE1 -0.24 -0.06 -0.08 -0.04 7.75 7.32 1mioA1 HIS 187 H -0.06 0.34 -0.18 -0.55 8.41 7.97 1mioA1 HIS 187 HA -1.25 0.06 0.62 -0.75 4.63 3.30 1mioA1 HIS 187 HB2 -0.29 -0.04 0.06 -0.04 3.26 2.95 1mioA1 HIS 187 HB3 -0.19 0.03 0.12 -0.04 3.20 3.12 1mioA1 HIS 187 HD2 0.14 -0.06 -0.02 -0.04 6.97 6.99 1mioA1 HIS 187 HE1 -0.01 -0.05 0.22 -0.04 7.75 7.87 1mioA1 ILE 188 H -0.01 0.45 -0.01 -0.55 8.25 8.12 1mioA1 ILE 188 HA 0.05 0.03 0.30 -0.75 4.18 3.79 1mioA1 ILE 188 HB 0.03 0.01 0.11 -0.04 1.89 2.00 1mioA1 ILE 188 HG12 0.00 -0.00 0.08 -0.04 1.49 1.53 1mioA1 ILE 188 HG13 -0.01 -0.00 0.16 -0.04 1.21 1.32 1mioA1 ILE 188 HG23 0.12 0.01 -0.28 -0.04 0.93 0.73 1mioA1 ILE 188 HD13 -0.02 0.01 -0.09 -0.04 0.88 0.74 1mioA1 ALA 189 H 0.03 0.48 -0.14 -0.55 8.40 8.22 1mioA1 ALA 189 HA 0.30 0.03 0.46 -0.75 4.34 4.38 1mioA1 ALA 189 HB3 -0.02 0.01 0.05 -0.04 1.41 1.41 1mioA1 ASN 190 H -0.04 0.36 -0.26 -0.55 8.53 8.03 1mioA1 ASN 190 HA 0.01 -0.02 0.30 -0.75 4.76 4.30 1mioA1 ASN 190 HB2 -0.26 0.30 0.27 -0.04 2.88 3.15 1mioA1 ASN 190 HB3 -0.05 -0.08 -0.06 -0.04 2.79 2.56 1mioA1 ASN 190 HD21 0.09 -0.16 -0.10 -0.04 7.03 6.82 1mioA1 ASN 190 HD22 0.04 0.10 0.11 -0.04 7.74 7.95 1mioA1 ASN 191 H -0.03 0.36 -0.17 -0.55 8.53 8.15 1mioA1 ASN 191 HA -0.00 0.07 0.48 -0.75 4.76 4.56 1mioA1 ASN 191 HB2 0.01 0.02 0.09 -0.04 2.88 2.96 1mioA1 ASN 191 HB3 0.01 -0.00 -0.02 -0.04 2.79 2.74 1mioA1 ASN 191 HD21 0.33 0.16 -0.08 -0.04 7.03 7.40 1mioA1 ASN 191 HD22 0.08 -0.04 -0.06 -0.04 7.74 7.68 1mioA1 THR 192 H 0.03 0.31 -0.09 -0.55 8.28 7.98 1mioA1 THR 192 HA -0.04 0.01 0.27 -0.75 4.39 3.87 1mioA1 THR 192 HB 0.05 0.05 -0.01 -0.04 4.32 4.38 1mioA1 THR 192 HG23 -0.42 0.01 -0.10 -0.04 1.22 0.67 1mioA1 VAL 193 H 0.09 0.51 -0.22 -0.55 8.24 8.08 1mioA1 VAL 193 HA -0.00 0.07 0.44 -0.75 4.13 3.88 1mioA1 VAL 193 HB 0.10 0.03 0.02 -0.04 2.12 2.23 1mioA1 VAL 193 HG13 0.03 0.02 -0.04 -0.04 0.97 0.93 1mioA1 VAL 193 HG23 0.01 -0.01 -0.05 -0.04 0.95 0.86 1mioA1 MET 194 H 0.02 0.39 -0.34 -0.55 8.47 8.00 1mioA1 MET 194 HA 0.03 -0.03 0.28 -0.75 4.52 4.05 1mioA1 MET 194 HB2 0.02 -0.04 0.07 -0.04 2.15 2.15 1mioA1 MET 194 HB3 0.02 0.18 0.24 -0.04 2.03 2.42 1mioA1 MET 194 HG2 0.02 -0.05 -0.12 -0.04 2.63 2.44 1mioA1 MET 194 HG3 0.03 0.06 -0.31 -0.04 2.56 2.30 1mioA1 MET 194 HE3 0.16 0.02 -0.14 -0.04 2.10 2.10 1mioA1 THR 195 H 0.01 0.58 0.03 -0.55 8.28 8.35 1mioA1 THR 195 HA 0.02 0.06 0.42 -0.75 4.39 4.14 1mioA1 THR 195 HB -0.00 -0.05 0.03 -0.04 4.32 4.26 1mioA1 THR 195 HG23 0.00 -0.01 -0.09 -0.04 1.22 1.09 1mioA1 ASP 196 H 0.01 0.45 -0.16 -0.55 8.40 8.15 1mioA1 ASP 196 HA 0.06 0.31 1.01 -0.75 4.63 5.25 1mioA1 ASP 196 HB2 0.19 -0.01 0.19 -0.04 2.71 3.03 1mioA1 ASP 196 HB3 0.06 0.03 -0.00 -0.04 2.70 2.75 1mioA1 ILE 197 H 0.02 0.29 -0.24 -0.55 8.25 7.77 1mioA1 ILE 197 HA 0.04 0.15 0.67 -0.75 4.18 4.29 1mioA1 ILE 197 HB -0.03 0.10 0.26 -0.04 1.89 2.17 1mioA1 ILE 197 HG12 -0.15 0.08 -0.04 -0.04 1.49 1.34 1mioA1 ILE 197 HG13 -0.21 0.04 -0.42 -0.04 1.21 0.58 1mioA1 ILE 197 HG23 -0.17 -0.03 -0.09 -0.04 0.93 0.60 1mioA1 ILE 197 HD13 -0.06 -0.06 -0.08 -0.04 0.88 0.64 1mioA1 ILE 198 H -0.01 0.72 0.22 -0.55 8.25 8.64 1mioA1 ILE 198 HA -0.06 0.06 0.01 -0.75 4.18 3.44 1mioA1 ILE 198 HB 0.03 0.13 0.17 -0.04 1.89 2.18 1mioA1 ILE 198 HG12 -0.04 0.16 0.04 -0.04 1.49 1.61 1mioA1 ILE 198 HG13 -0.02 -0.03 -0.11 -0.04 1.21 1.01 1mioA1 ILE 198 HG23 0.06 -0.03 -0.19 -0.04 0.93 0.73 1mioA1 ILE 198 HD13 -0.02 -0.04 -0.09 -0.04 0.88 0.69 1mioA1 GLY 199 H 0.07 0.22 -0.11 -0.55 8.43 8.06 1mioA1 GLY 199 HA2 -0.06 0.16 1.13 -0.51 4.01 4.73 1mioA1 GLY 199 HA3 0.12 -0.04 0.39 -0.51 4.01 3.97 1mioA1 LYS 200 H -0.03 0.40 -0.10 -0.55 8.42 8.14 1mioA1 LYS 200 HA 0.02 0.15 0.83 -0.75 4.32 4.57 1mioA1 LYS 200 HB2 -0.01 0.31 0.05 -0.04 1.87 2.18 1mioA1 LYS 200 HB3 -0.01 -0.09 -0.03 -0.04 1.79 1.63 1mioA1 LYS 200 HG2 0.04 -0.05 0.01 -0.04 1.46 1.42 1mioA1 LYS 200 HG3 0.03 0.01 0.08 -0.04 1.46 1.54 1mioA1 LYS 200 HD2 0.04 0.01 -0.11 -0.04 1.69 1.59 1mioA1 LYS 200 HD3 0.04 -0.01 -0.28 -0.04 1.68 1.39 1mioA1 LYS 200 HE2 0.06 -0.05 -0.04 -0.04 2.99 2.92 1mioA1 LYS 200 HE3 0.07 -0.10 -0.14 -0.04 2.99 2.78 1mioA1 GLY 201 H -0.04 0.47 0.08 -0.55 8.43 8.40 1mioA1 GLY 201 HA2 -0.02 0.10 0.62 -0.51 4.01 4.20 1mioA1 GLY 201 HA3 -0.03 -0.08 0.20 -0.51 4.01 3.58 1mioA1 ASN 202 H -0.01 0.04 0.06 -0.55 8.53 8.08 1mioA1 ASN 202 HA -0.01 0.24 0.52 -0.75 4.76 4.76 1mioA1 ASN 202 HB2 0.00 -0.02 0.15 -0.04 2.88 2.98 1mioA1 ASN 202 HB3 0.00 0.14 -0.08 -0.04 2.79 2.81 1mioA1 ASN 202 HD21 0.01 -0.02 -0.03 -0.04 7.03 6.94 1mioA1 ASN 202 HD22 0.01 0.03 -0.05 -0.04 7.74 7.69 1mioA1 LYS 203 H -0.01 0.05 -0.00 -0.55 8.42 7.90 1mioA1 LYS 203 HA -0.00 0.09 0.59 -0.75 4.32 4.24 1mioA1 LYS 203 HB2 0.00 -0.05 0.04 -0.04 1.87 1.82 1mioA1 LYS 203 HB3 -0.00 0.01 0.02 -0.04 1.79 1.77 1mioA1 LYS 203 HG2 -0.00 0.08 -0.23 -0.04 1.46 1.26 1mioA1 LYS 203 HG3 0.02 -0.03 -0.04 -0.04 1.46 1.37 1mioA1 LYS 203 HD2 0.05 0.01 -0.05 -0.04 1.69 1.65 1mioA1 LYS 203 HD3 0.01 -0.03 -0.22 -0.04 1.68 1.40 1mioA1 LYS 203 HE2 -0.03 0.13 -0.13 -0.04 2.99 2.92 1mioA1 LYS 203 HE3 0.13 -0.02 -0.04 -0.04 2.99 3.02 1mioA1 GLU 204 H -0.01 0.13 0.05 -0.55 8.60 8.23 1mioA1 GLU 204 HA -0.02 0.12 0.63 -0.75 4.29 4.27 1mioA1 GLU 204 HB2 -0.02 0.04 0.11 -0.04 2.09 2.18 1mioA1 GLU 204 HB3 -0.01 0.00 0.08 -0.04 1.99 2.02 1mioA1 GLU 204 HG2 -0.03 0.06 0.12 -0.04 2.34 2.45 1mioA1 GLU 204 HG3 -0.02 -0.02 0.06 -0.04 2.34 2.33 1mioA1 GLN 205 H -0.02 0.24 -0.03 -0.55 8.47 8.12 1mioA1 GLN 205 HA -0.02 -0.00 0.48 -0.75 4.36 4.06 1mioA1 GLN 205 HB2 -0.02 0.01 0.08 -0.04 2.15 2.19 1mioA1 GLN 205 HB3 -0.02 -0.05 -0.03 -0.04 2.02 1.88 1mioA1 GLN 205 HG2 -0.01 0.07 -0.25 -0.04 2.40 2.17 1mioA1 GLN 205 HG3 0.01 0.39 0.01 -0.04 2.39 2.77 1mioA1 GLN 205 HE21 0.01 0.01 -0.18 -0.04 6.97 6.78 1mioA1 GLN 205 HE22 0.02 0.02 -0.14 -0.04 7.69 7.55 1mioA1 LYS 206 H -0.06 0.19 0.17 -0.55 8.42 8.16 1mioA1 LYS 206 HA -0.13 0.18 0.87 -0.75 4.32 4.49 1mioA1 LYS 206 HB2 -0.64 0.02 0.03 -0.04 1.87 1.24 1mioA1 LYS 206 HB3 -0.45 0.04 0.03 -0.04 1.79 1.37 1mioA1 LYS 206 HG2 -0.19 0.07 -0.09 -0.04 1.46 1.21 1mioA1 LYS 206 HG3 -0.22 0.03 -0.11 -0.04 1.46 1.12 1mioA1 LYS 206 HD2 -0.59 -0.01 -0.02 -0.04 1.69 1.03 1mioA1 LYS 206 HD3 -0.44 -0.00 0.00 -0.04 1.68 1.20 1mioA1 LYS 206 HE2 -0.10 0.00 -0.00 -0.04 2.99 2.85 1mioA1 LYS 206 HE3 -0.08 0.02 -0.02 -0.04 2.99 2.87 1mioA1 LYS 207 H -0.12 0.14 0.13 -0.55 8.42 8.01 1mioA1 LYS 207 HA -0.23 0.02 0.49 -0.75 4.32 3.84 1mioA1 LYS 207 HB2 -0.04 0.00 0.17 -0.04 1.87 1.97 1mioA1 LYS 207 HB3 -0.09 0.07 0.01 -0.04 1.79 1.74 1mioA1 LYS 207 HG2 -0.17 0.00 0.06 -0.04 1.46 1.32 1mioA1 LYS 207 HG3 -0.08 -0.00 0.09 -0.04 1.46 1.42 1mioA1 LYS 207 HD2 -0.03 -0.02 0.03 -0.04 1.69 1.63 1mioA1 LYS 207 HD3 0.01 0.02 0.03 -0.04 1.68 1.70 1mioA1 LYS 207 HE2 0.18 0.06 -0.01 -0.04 2.99 3.18 1mioA1 LYS 207 HE3 -0.13 -0.01 0.01 -0.04 2.99 2.82 1mioA1 TYR 208 H -0.23 0.15 0.23 -0.55 8.29 7.89 1mioA1 TYR 208 HA -0.05 0.04 0.30 -0.75 4.56 4.09 1mioA1 TYR 208 HB2 -0.09 0.18 0.11 -0.04 3.06 3.21 1mioA1 TYR 208 HB3 -0.34 -0.07 0.12 -0.04 2.98 2.66 1mioA1 TYR 208 HD2 -0.28 0.12 -0.13 -0.04 7.15 6.82 1mioA1 TYR 208 HE2 -0.01 0.02 -0.03 -0.04 6.85 6.78 1mioA1 SER 209 H 0.14 0.31 -0.12 -0.55 8.46 8.24 1mioA1 SER 209 HA 0.31 0.45 0.66 -0.75 4.49 5.16 1mioA1 SER 209 HB2 0.12 -0.04 0.27 -0.04 3.95 4.26 1mioA1 SER 209 HB3 0.14 0.00 0.28 -0.04 3.93 4.32 1mioA1 ILE 210 H 0.12 0.61 0.42 -0.55 8.25 8.85 1mioA1 ILE 210 HA 0.17 0.18 0.68 -0.75 4.18 4.45 1mioA1 ILE 210 HB -0.01 0.18 -0.00 -0.04 1.89 2.01 1mioA1 ILE 210 HG12 0.08 0.01 0.07 -0.04 1.49 1.61 1mioA1 ILE 210 HG13 0.36 0.03 0.01 -0.04 1.21 1.56 1mioA1 ILE 210 HG23 -0.09 -0.05 -0.19 -0.04 0.93 0.56 1mioA1 ILE 210 HD13 -0.53 -0.02 -0.07 -0.04 0.88 0.22 1mioA1 ASN 211 H 0.02 0.36 0.30 -0.55 8.53 8.66 1mioA1 ASN 211 HA -0.04 -0.02 1.04 -0.75 4.76 4.98 1mioA1 ASN 211 HB2 -0.02 -0.05 0.02 -0.04 2.88 2.79 1mioA1 ASN 211 HB3 -0.06 -0.00 -0.11 -0.04 2.79 2.58 1mioA1 ASN 211 HD21 -0.03 0.57 -0.03 -0.04 7.03 7.49 1mioA1 ASN 211 HD22 -0.02 -0.09 -0.18 -0.04 7.74 7.41 1mioA1 VAL 212 H -0.10 0.48 0.38 -0.55 8.24 8.45 1mioA1 VAL 212 HA -0.10 0.28 1.06 -0.75 4.13 4.62 1mioA1 VAL 212 HB -0.19 -0.12 0.09 -0.04 2.12 1.86 1mioA1 VAL 212 HG13 -0.23 -0.02 -0.13 -0.04 0.97 0.54 1mioA1 VAL 212 HG23 -0.23 0.02 -0.08 -0.04 0.95 0.62 1mioA1 LEU 213 H -0.13 0.77 0.28 -0.55 8.37 8.74 1mioA1 LEU 213 HA -0.17 -0.01 0.98 -0.75 4.35 4.40 1mioA1 LEU 213 HB2 -0.16 0.04 0.03 -0.04 1.64 1.51 1mioA1 LEU 213 HB3 -0.17 -0.02 0.03 -0.04 1.64 1.43 1mioA1 LEU 213 HG -0.08 0.01 -0.29 -0.04 1.64 1.24 1mioA1 LEU 213 HD13 -0.15 0.02 -0.15 -0.04 0.93 0.60 1mioA1 LEU 213 HD23 -0.08 0.03 -0.19 -0.04 0.89 0.61 1mioA1 GLY 214 H -0.28 0.37 0.28 -0.55 8.43 8.25 1mioA1 GLY 214 HA2 -0.44 0.15 0.43 -0.51 4.01 3.63 1mioA1 GLY 214 HA3 -0.26 0.01 0.56 -0.51 4.01 3.81 1mioA1 GLU 215 H -0.66 0.61 0.06 -0.55 8.60 8.07 1mioA1 GLU 215 HA -0.45 0.04 0.59 -0.75 4.29 3.72 1mioA1 GLU 215 HB2 -0.30 0.03 -0.29 -0.04 2.09 1.49 1mioA1 GLU 215 HB3 -0.28 -0.01 -0.12 -0.04 1.99 1.53 1mioA1 GLU 215 HG2 -0.23 0.11 0.05 -0.04 2.34 2.22 1mioA1 GLU 215 HG3 -0.26 0.08 -0.08 -0.04 2.34 2.04 1mioA1 TYR 216 H -0.21 0.10 0.12 -0.55 8.29 7.76 1mioA1 TYR 216 HA -0.14 0.02 0.87 -0.75 4.56 4.57 1mioA1 TYR 216 HB2 -0.05 -0.08 0.02 -0.04 3.06 2.92 1mioA1 TYR 216 HB3 -0.11 0.25 0.13 -0.04 2.98 3.21 1mioA1 TYR 216 HD2 -0.12 0.05 -0.03 -0.04 7.15 7.00 1mioA1 TYR 216 HE2 -0.13 0.01 -0.09 -0.04 6.85 6.60 1mioA1 ASN 217 H -0.14 -0.05 -0.05 -0.55 8.53 7.74 1mioA1 ASN 217 HA -0.19 -0.21 0.27 -0.75 4.76 3.88 1mioA1 ASN 217 HB2 -0.28 -0.09 -0.16 -0.04 2.88 2.31 1mioA1 ASN 217 HB3 -0.25 0.49 0.04 -0.04 2.79 3.03 1mioA1 ASN 217 HD21 -3.09 -0.03 -0.02 -0.04 7.03 3.85 1mioA1 ASN 217 HD22 -0.72 0.58 0.07 -0.04 7.74 7.63 1mioA1 ILE 218 H -0.03 0.01 -0.03 -0.55 8.25 7.64 1mioA1 ILE 218 HA -0.06 0.46 0.44 -0.75 4.18 4.26 1mioA1 ILE 218 HB -0.14 -0.11 0.12 -0.04 1.89 1.72 1mioA1 ILE 218 HG12 0.00 0.08 -0.43 -0.04 1.49 1.10 1mioA1 ILE 218 HG13 0.05 -0.16 -0.28 -0.04 1.21 0.78 1mioA1 ILE 218 HG23 -0.40 0.07 -0.06 -0.04 0.93 0.50 1mioA1 ILE 218 HD13 -0.04 0.01 -0.04 -0.04 0.88 0.77 1mioA1 GLY 219 H -0.06 0.63 0.38 -0.55 8.43 8.84 1mioA1 GLY 219 HA2 0.04 0.14 0.31 -0.51 4.01 3.99 1mioA1 GLY 219 HA3 0.12 0.12 0.30 -0.51 4.01 4.03 1mioA1 GLY 220 H -0.34 0.31 -0.16 -0.55 8.43 7.70 1mioA1 GLY 220 HA2 -0.69 0.01 0.24 -0.51 4.01 3.05 1mioA1 GLY 220 HA3 0.21 0.21 -0.03 -0.51 4.01 3.90 1mioA1 ASP 221 H -0.05 0.22 -0.73 -0.55 8.40 7.29 1mioA1 ASP 221 HA 0.06 0.17 0.49 -0.75 4.63 4.60 1mioA1 ASP 221 HB2 -0.00 -0.17 0.01 -0.04 2.71 2.51 1mioA1 ASP 221 HB3 -0.01 -0.03 -0.10 -0.04 2.70 2.52 1mioA1 ALA 222 H -0.23 0.05 -0.20 -0.55 8.40 7.47 1mioA1 ALA 222 HA -0.16 0.08 0.41 -0.75 4.34 3.92 1mioA1 ALA 222 HB3 -0.23 0.02 -0.02 -0.04 1.41 1.14 1mioA1 TRP 223 H -0.11 0.02 -0.32 -0.55 7.97 7.01 1mioA1 TRP 223 HA -0.00 0.08 0.31 -0.75 4.62 4.26 1mioA1 TRP 223 HB2 0.04 0.15 0.12 -0.04 3.23 3.50 1mioA1 TRP 223 HB3 0.03 0.07 0.01 -0.04 3.23 3.30 1mioA1 TRP 223 HD1 -0.00 -0.02 -0.13 -0.04 7.22 7.04 1mioA1 TRP 223 HE1 0.02 0.06 -0.08 -0.04 10.20 10.15 1mioA1 TRP 223 HE3 0.05 0.04 -0.01 -0.04 7.59 7.63 1mioA1 TRP 223 HZ2 0.04 0.00 -0.39 -0.04 7.44 7.05 1mioA1 TRP 223 HZ3 0.05 0.04 -0.04 -0.04 7.13 7.14 1mioA1 TRP 223 HH2 0.05 0.14 -0.16 -0.04 7.19 7.17 1mioA1 GLU 224 H 0.18 0.50 -0.12 -0.55 8.60 8.61 1mioA1 GLU 224 HA 0.15 0.06 0.59 -0.75 4.29 4.34 1mioA1 GLU 224 HB2 0.14 0.14 0.20 -0.04 2.09 2.53 1mioA1 GLU 224 HB3 0.10 0.04 0.09 -0.04 1.99 2.18 1mioA1 GLU 224 HG2 0.15 0.09 0.11 -0.04 2.34 2.64 1mioA1 GLU 224 HG3 0.14 -0.03 0.10 -0.04 2.34 2.51 1mioA1 MET 225 H -0.02 0.59 -0.02 -0.55 8.47 8.48 1mioA1 MET 225 HA 0.01 -0.05 0.37 -0.75 4.52 4.09 1mioA1 MET 225 HB2 -0.22 0.05 0.16 -0.04 2.15 2.09 1mioA1 MET 225 HB3 -0.54 0.01 -0.07 -0.04 2.03 1.39 1mioA1 MET 225 HG2 -0.87 -0.04 0.00 -0.04 2.63 1.68 1mioA1 MET 225 HG3 -0.24 0.16 0.03 -0.04 2.56 2.47 1mioA1 MET 225 HE3 -0.61 -0.01 -0.08 -0.04 2.10 1.37 1mioA1 ASP 226 H 0.00 0.64 -0.13 -0.55 8.40 8.36 1mioA1 ASP 226 HA 0.02 -0.01 0.39 -0.75 4.63 4.27 1mioA1 ASP 226 HB2 0.09 0.10 0.04 -0.04 2.71 2.91 1mioA1 ASP 226 HB3 0.04 0.02 -0.01 -0.04 2.70 2.70 1mioA1 ARG 227 H 0.10 0.53 -0.04 -0.55 8.46 8.49 1mioA1 ARG 227 HA 0.07 0.03 0.39 -0.75 4.34 4.08 1mioA1 ARG 227 HB2 0.07 -0.01 0.12 -0.04 1.90 2.04 1mioA1 ARG 227 HB3 0.10 0.20 0.24 -0.04 1.80 2.30 1mioA1 ARG 227 HG2 0.10 -0.03 0.05 -0.04 1.67 1.74 1mioA1 ARG 227 HG3 0.12 -0.03 0.10 -0.04 1.67 1.82 1mioA1 ARG 227 HD2 0.09 0.02 -0.26 -0.04 3.22 3.03 1mioA1 ARG 227 HD3 0.06 0.03 -0.01 -0.04 3.22 3.27 1mioA1 VAL 228 H 0.14 0.36 -0.15 -0.55 8.24 8.04 1mioA1 VAL 228 HA 0.15 0.06 0.51 -0.75 4.13 4.09 1mioA1 VAL 228 HB 0.22 0.08 0.10 -0.04 2.12 2.48 1mioA1 VAL 228 HG13 0.27 -0.00 -0.06 -0.04 0.97 1.13 1mioA1 VAL 228 HG23 0.25 0.02 0.04 -0.04 0.95 1.22 1mioA1 LEU 229 H 0.15 0.50 0.04 -0.55 8.37 8.51 1mioA1 LEU 229 HA 0.23 -0.01 0.39 -0.75 4.35 4.21 1mioA1 LEU 229 HB2 0.08 0.06 0.09 -0.04 1.64 1.83 1mioA1 LEU 229 HB3 0.14 -0.03 -0.04 -0.04 1.64 1.67 1mioA1 LEU 229 HG 0.21 0.17 0.01 -0.04 1.64 1.98 1mioA1 LEU 229 HD13 -0.04 -0.04 -0.17 -0.04 0.93 0.64 1mioA1 LEU 229 HD23 0.16 -0.01 -0.05 -0.04 0.89 0.94 1mioA1 GLU 230 H 0.09 0.48 -0.31 -0.55 8.60 8.32 1mioA1 GLU 230 HA 0.06 0.22 0.47 -0.75 4.29 4.29 1mioA1 GLU 230 HB2 0.05 0.25 0.04 -0.04 2.09 2.40 1mioA1 GLU 230 HB3 0.04 -0.00 -0.09 -0.04 1.99 1.90 1mioA1 GLU 230 HG2 0.03 -0.07 -0.05 -0.04 2.34 2.20 1mioA1 GLU 230 HG3 0.04 0.05 0.03 -0.04 2.34 2.42 1mioA1 LYS 231 H 0.06 0.24 -0.24 -0.55 8.42 7.93 1mioA1 LYS 231 HA 0.01 0.01 0.43 -0.75 4.32 4.02 1mioA1 LYS 231 HB2 0.05 0.10 0.24 -0.04 1.87 2.22 1mioA1 LYS 231 HB3 0.06 0.18 0.32 -0.04 1.79 2.31 1mioA1 LYS 231 HG2 0.01 -0.01 -0.04 -0.04 1.46 1.38 1mioA1 LYS 231 HG3 0.01 -0.02 0.05 -0.04 1.46 1.46 1mioA1 LYS 231 HD2 0.05 -0.03 0.08 -0.04 1.69 1.74 1mioA1 LYS 231 HD3 0.01 -0.04 0.04 -0.04 1.68 1.64 1mioA1 LYS 231 HE2 0.01 0.00 0.02 -0.04 2.99 2.99 1mioA1 LYS 231 HE3 0.04 0.06 0.04 -0.04 2.99 3.08 1mioA1 ILE 232 H 0.04 0.39 -0.05 -0.55 8.25 8.07 1mioA1 ILE 232 HA -0.07 -0.03 0.21 -0.75 4.18 3.53 1mioA1 ILE 232 HB 0.05 0.03 0.10 -0.04 1.89 2.03 1mioA1 ILE 232 HG12 -0.00 -0.00 -0.15 -0.04 1.49 1.30 1mioA1 ILE 232 HG13 0.05 0.04 0.06 -0.04 1.21 1.32 1mioA1 ILE 232 HG23 -0.27 -0.03 -0.16 -0.04 0.93 0.44 1mioA1 ILE 232 HD13 0.13 -0.02 -0.05 -0.04 0.88 0.90 1mioA1 GLY 233 H -0.08 0.27 -0.15 -0.55 8.43 7.91 1mioA1 GLY 233 HA2 -0.09 0.09 0.24 -0.51 4.01 3.74 1mioA1 GLY 233 HA3 -0.28 0.06 0.82 -0.51 4.01 4.10 1mioA1 TYR 234 H -0.09 0.13 0.17 -0.55 8.29 7.95 1mioA1 TYR 234 HA -0.09 0.13 0.63 -0.75 4.56 4.47 1mioA1 TYR 234 HB2 -0.05 -0.08 -0.05 -0.04 3.06 2.84 1mioA1 TYR 234 HB3 -0.08 0.14 0.04 -0.04 2.98 3.04 1mioA1 TYR 234 HD2 -0.38 0.06 0.03 -0.04 7.15 6.82 1mioA1 TYR 234 HE2 -0.23 0.00 -0.07 -0.04 6.85 6.50 1mioA1 HIS 235 H 0.26 0.71 0.11 -0.55 8.41 8.95 1mioA1 HIS 235 HA 0.06 0.06 0.73 -0.75 4.63 4.72 1mioA1 HIS 235 HB2 0.06 0.02 -0.07 -0.04 3.26 3.23 1mioA1 HIS 235 HB3 0.08 0.19 -0.09 -0.04 3.20 3.34 1mioA1 HIS 235 HD2 0.03 -0.03 -0.02 -0.04 6.97 6.90 1mioA1 HIS 235 HE1 0.01 -0.02 -0.04 -0.04 7.75 7.65 1mioA1 VAL 236 H -0.10 0.13 -0.04 -0.55 8.24 7.68 1mioA1 VAL 236 HA -0.06 0.09 0.41 -0.75 4.13 3.81 1mioA1 VAL 236 HB -0.10 0.00 -0.03 -0.04 2.12 1.96 1mioA1 VAL 236 HG13 -0.08 -0.02 -0.15 -0.04 0.97 0.67 1mioA1 VAL 236 HG23 -0.02 0.01 -0.13 -0.04 0.95 0.77 1mioA1 ASN 237 H -0.07 0.23 0.37 -0.55 8.53 8.51 1mioA1 ASN 237 HA -0.15 0.15 0.91 -0.75 4.76 4.92 1mioA1 ASN 237 HB2 0.15 0.02 -0.08 -0.04 2.88 2.93 1mioA1 ASN 237 HB3 0.03 0.13 0.07 -0.04 2.79 2.98 1mioA1 ASN 237 HD21 0.02 0.17 -0.01 -0.04 7.03 7.17 1mioA1 ASN 237 HD22 0.07 -0.10 0.05 -0.04 7.74 7.71 1mioA1 ALA 238 H -0.06 0.13 0.28 -0.55 8.40 8.21 1mioA1 ALA 238 HA -0.05 0.10 0.41 -0.75 4.34 4.05 1mioA1 ALA 238 HB3 -0.05 0.07 -0.03 -0.04 1.41 1.36 1mioA1 THR 239 H -0.06 0.28 0.02 -0.55 8.28 7.97 1mioA1 THR 239 HA -0.13 0.15 0.59 -0.75 4.39 4.25 1mioA1 THR 239 HB -0.09 -0.02 -0.06 -0.04 4.32 4.10 1mioA1 THR 239 HG23 -0.19 -0.00 -0.19 -0.04 1.22 0.80 1mioA1 LEU 240 H -0.17 0.43 -0.00 -0.55 8.37 8.08 1mioA1 LEU 240 HA -0.10 0.10 1.05 -0.75 4.35 4.66 1mioA1 LEU 240 HB2 -0.13 0.04 0.25 -0.04 1.64 1.76 1mioA1 LEU 240 HB3 -0.12 -0.11 0.31 -0.04 1.64 1.68 1mioA1 LEU 240 HG -0.08 0.04 -0.01 -0.04 1.64 1.55 1mioA1 LEU 240 HD13 -0.04 0.02 0.01 -0.04 0.93 0.88 1mioA1 LEU 240 HD23 -0.07 0.04 -0.10 -0.04 0.89 0.73 1mioA1 THR 241 H -0.10 0.59 0.37 -0.55 8.28 8.59 1mioA1 THR 241 HA -0.04 0.06 0.31 -0.75 4.39 3.97 1mioA1 THR 241 HB -0.04 0.06 -0.07 -0.04 4.32 4.24 1mioA1 THR 241 HG23 0.00 0.02 -0.11 -0.04 1.22 1.09 1mioA1 GLY 242 H -0.16 0.32 0.49 -0.55 8.43 8.53 1mioA1 GLY 242 HA2 -0.12 -0.29 -0.11 -0.51 4.01 2.98 1mioA1 GLY 242 HA3 -0.12 -0.15 0.09 -0.51 4.01 3.32 1mioA1 ASP 243 H -0.04 0.00 -0.02 -0.55 8.40 7.79 1mioA1 ASP 243 HA 0.05 0.22 0.72 -0.75 4.63 4.88 1mioA1 ASP 243 HB2 0.05 0.24 0.15 -0.04 2.71 3.10 1mioA1 ASP 243 HB3 0.07 -0.16 0.10 -0.04 2.70 2.67 1mioA1 ALA 244 H 0.00 0.53 -0.19 -0.55 8.40 8.19 1mioA1 ALA 244 HA 0.02 0.03 0.41 -0.75 4.34 4.05 1mioA1 ALA 244 HB3 -0.00 0.03 0.02 -0.04 1.41 1.41 1mioA1 THR 245 H 0.03 0.13 0.21 -0.55 8.28 8.10 1mioA1 THR 245 HA 0.07 0.13 0.77 -0.75 4.39 4.61 1mioA1 THR 245 HB 0.06 -0.10 0.13 -0.04 4.32 4.37 1mioA1 THR 245 HG23 0.04 0.06 0.08 -0.04 1.22 1.37 1mioA1 TYR 246 H 0.20 0.19 0.09 -0.55 8.29 8.22 1mioA1 TYR 246 HA 0.03 0.10 0.35 -0.75 4.56 4.29 1mioA1 TYR 246 HB2 0.05 0.02 0.01 -0.04 3.06 3.09 1mioA1 TYR 246 HB3 0.04 -0.01 0.11 -0.04 2.98 3.08 1mioA1 TYR 246 HD2 0.06 -0.02 -0.08 -0.04 7.15 7.07 1mioA1 TYR 246 HE2 0.10 0.06 -0.05 -0.04 6.85 6.92 1mioA1 GLU 247 H 0.09 0.04 -0.21 -0.55 8.60 7.97 1mioA1 GLU 247 HA -0.11 0.14 0.31 -0.75 4.29 3.88 1mioA1 GLU 247 HB2 0.03 -0.08 0.08 -0.04 2.09 2.08 1mioA1 GLU 247 HB3 0.01 0.09 -0.02 -0.04 1.99 2.03 1mioA1 GLU 247 HG2 0.06 0.09 0.02 -0.04 2.34 2.47 1mioA1 GLU 247 HG3 0.07 0.07 0.00 -0.04 2.34 2.44 1mioA1 LYS 248 H -0.01 0.05 -0.11 -0.55 8.42 7.79 1mioA1 LYS 248 HA -0.03 0.14 0.45 -0.75 4.32 4.12 1mioA1 LYS 248 HB2 -0.02 0.34 0.23 -0.04 1.87 2.38 1mioA1 LYS 248 HB3 -0.00 -0.02 0.11 -0.04 1.79 1.83 1mioA1 LYS 248 HG2 0.00 -0.23 0.12 -0.04 1.46 1.31 1mioA1 LYS 248 HG3 -0.02 0.00 -0.14 -0.04 1.46 1.26 1mioA1 LYS 248 HD2 -0.01 -0.13 -0.07 -0.04 1.69 1.44 1mioA1 LYS 248 HD3 -0.02 0.26 -0.09 -0.04 1.68 1.79 1mioA1 LYS 248 HE2 0.02 -0.07 0.05 -0.04 2.99 2.96 1mioA1 LYS 248 HE3 0.01 0.03 -0.05 -0.04 2.99 2.93 1mioA1 VAL 249 H -0.08 0.30 -0.61 -0.55 8.24 7.30 1mioA1 VAL 249 HA -0.06 0.03 0.69 -0.75 4.13 4.03 1mioA1 VAL 249 HB -0.12 0.26 0.16 -0.04 2.12 2.37 1mioA1 VAL 249 HG13 -0.05 -0.03 -0.08 -0.04 0.97 0.78 1mioA1 VAL 249 HG23 -0.01 0.01 -0.04 -0.04 0.95 0.86 1mioA1 GLN 250 H -0.22 0.48 0.03 -0.55 8.47 8.22 1mioA1 GLN 250 HA -0.13 0.14 -0.01 -0.75 4.36 3.60 1mioA1 GLN 250 HB2 -0.13 0.06 -0.07 -0.04 2.15 1.97 1mioA1 GLN 250 HB3 -0.11 -0.08 -0.08 -0.04 2.02 1.70 1mioA1 GLN 250 HG2 -0.47 0.02 -0.04 -0.04 2.40 1.87 1mioA1 GLN 250 HG3 -0.53 0.12 -0.07 -0.04 2.39 1.86 1mioA1 GLN 250 HE21 0.04 0.02 -0.06 -0.04 6.97 6.93 1mioA1 GLN 250 HE22 -0.06 0.06 -0.05 -0.04 7.69 7.60 1mioA1 ASN 251 H -0.08 0.10 -0.93 -0.55 8.53 7.07 1mioA1 ASN 251 HA -0.07 0.15 0.85 -0.75 4.76 4.93 1mioA1 ASN 251 HB2 -0.04 0.05 0.03 -0.04 2.88 2.88 1mioA1 ASN 251 HB3 -0.03 -0.01 0.17 -0.04 2.79 2.88 1mioA1 ASN 251 HD21 -0.03 -0.15 -0.02 -0.04 7.03 6.80 1mioA1 ASN 251 HD22 -0.05 0.37 -0.10 -0.04 7.74 7.93 1mioA1 ALA 252 H -0.08 0.70 -0.14 -0.55 8.40 8.33 1mioA1 ALA 252 HA -0.06 0.05 0.40 -0.75 4.34 3.98 1mioA1 ALA 252 HB3 -0.06 -0.03 0.09 -0.04 1.41 1.37 1mioA1 ASP 253 H -0.17 0.22 -0.37 -0.55 8.40 7.54 1mioA1 ASP 253 HA -0.31 0.07 0.37 -0.75 4.63 4.01 1mioA1 ASP 253 HB2 -1.26 0.04 0.07 -0.04 2.71 1.52 1mioA1 ASP 253 HB3 -0.50 -0.00 -0.03 -0.04 2.70 2.12 1mioA1 LYS 254 H -0.08 0.31 -0.64 -0.55 8.42 7.45 1mioA1 LYS 254 HA -0.06 0.23 0.67 -0.75 4.32 4.41 1mioA1 LYS 254 HB2 -0.03 0.14 0.05 -0.04 1.87 1.99 1mioA1 LYS 254 HB3 -0.01 -0.13 0.16 -0.04 1.79 1.78 1mioA1 LYS 254 HG2 -0.04 -0.08 -0.01 -0.04 1.46 1.29 1mioA1 LYS 254 HG3 -0.08 0.08 -0.30 -0.04 1.46 1.12 1mioA1 LYS 254 HD2 -0.05 -0.09 -0.06 -0.04 1.69 1.45 1mioA1 LYS 254 HD3 -0.03 -0.04 -0.05 -0.04 1.68 1.52 1mioA1 LYS 254 HE2 -0.02 0.10 -0.12 -0.04 2.99 2.91 1mioA1 LYS 254 HE3 -0.04 0.02 -0.08 -0.04 2.99 2.85 1mioA1 ALA 255 H -0.04 0.34 -0.54 -0.55 8.40 7.61 1mioA1 ALA 255 HA 0.08 0.10 0.75 -0.75 4.34 4.51 1mioA1 ALA 255 HB3 0.04 -0.01 -0.33 -0.04 1.41 1.08 1mioA1 ASP 256 H 0.17 0.69 0.24 -0.55 8.40 8.95 1mioA1 ASP 256 HA 0.02 0.19 0.82 -0.75 4.63 4.90 1mioA1 ASP 256 HB2 0.36 0.05 0.18 -0.04 2.71 3.26 1mioA1 ASP 256 HB3 -0.02 -0.01 0.05 -0.04 2.70 2.67 1mioA1 LEU 257 H 0.18 0.22 0.19 -0.55 8.37 8.42 1mioA1 LEU 257 HA -0.00 0.31 0.69 -0.75 4.35 4.60 1mioA1 LEU 257 HB2 -0.24 0.03 -0.13 -0.04 1.64 1.26 1mioA1 LEU 257 HB3 0.21 -0.09 0.04 -0.04 1.64 1.76 1mioA1 LEU 257 HG 0.05 -0.08 -0.22 -0.04 1.64 1.35 1mioA1 LEU 257 HD13 -0.09 0.06 -0.11 -0.04 0.93 0.75 1mioA1 LEU 257 HD23 0.05 -0.01 -0.08 -0.04 0.89 0.81 1mioA1 ASN 258 H 0.08 0.66 0.27 -0.55 8.53 9.00 1mioA1 ASN 258 HA 0.03 0.11 0.83 -0.75 4.76 4.98 1mioA1 ASN 258 HB2 0.13 0.07 -0.03 -0.04 2.88 3.00 1mioA1 ASN 258 HB3 0.02 -0.12 -0.22 -0.04 2.79 2.44 1mioA1 ASN 258 HD21 0.01 0.03 -0.22 -0.04 7.03 6.81 1mioA1 ASN 258 HD22 0.05 0.05 -0.17 -0.04 7.74 7.62 1mioA1 LEU 259 H 0.01 0.52 0.20 -0.55 8.37 8.55 1mioA1 LEU 259 HA 0.09 0.19 0.72 -0.75 4.35 4.60 1mioA1 LEU 259 HB2 -0.00 -0.14 0.29 -0.04 1.64 1.75 1mioA1 LEU 259 HB3 0.11 -0.03 0.03 -0.04 1.64 1.70 1mioA1 LEU 259 HG 0.01 0.19 0.09 -0.04 1.64 1.89 1mioA1 LEU 259 HD13 0.09 -0.02 -0.08 -0.04 0.93 0.87 1mioA1 LEU 259 HD23 0.04 -0.00 -0.26 -0.04 0.89 0.63 1mioA1 VAL 260 H 0.14 0.69 0.30 -0.55 8.24 8.81 1mioA1 VAL 260 HA -0.13 0.13 0.85 -0.75 4.13 4.23 1mioA1 VAL 260 HB -0.04 0.11 0.06 -0.04 2.12 2.22 1mioA1 VAL 260 HG13 -0.18 -0.03 -0.23 -0.04 0.97 0.50 1mioA1 VAL 260 HG23 -0.43 -0.01 -0.16 -0.04 0.95 0.31 1mioA1 GLN 261 H -0.14 0.61 0.18 -0.55 8.47 8.57 1mioA1 GLN 261 HA -0.04 0.24 0.70 -0.75 4.36 4.50 1mioA1 GLN 261 HB2 -0.11 -0.03 -0.06 -0.04 2.15 1.91 1mioA1 GLN 261 HB3 -0.17 0.18 0.11 -0.04 2.02 2.10 1mioA1 GLN 261 HG2 -0.13 -0.09 -0.02 -0.04 2.40 2.12 1mioA1 GLN 261 HG3 -0.10 -0.04 -0.04 -0.04 2.39 2.17 1mioA1 GLN 261 HE21 -0.07 -0.06 0.06 -0.04 6.97 6.87 1mioA1 GLN 261 HE22 -0.07 -0.03 -0.08 -0.04 7.69 7.47 1mioA1 CYS 262 H -0.17 0.55 0.32 -0.55 8.50 8.66 1mioA1 CYS 262 HA -0.11 0.09 0.94 -0.75 4.58 4.75 1mioA1 CYS 262 HB2 -0.03 0.02 0.14 -0.04 2.97 3.06 1mioA1 CYS 262 HB3 -0.08 0.02 0.27 -0.04 2.97 3.14 1mioA1 HIS 263 H -0.16 0.24 0.12 -0.55 8.41 8.07 1mioA1 HIS 263 HA -0.37 0.17 0.43 -0.75 4.63 4.10 1mioA1 HIS 263 HB2 -0.62 0.15 0.00 -0.04 3.26 2.75 1mioA1 HIS 263 HB3 -0.49 -0.05 0.05 -0.04 3.20 2.67 1mioA1 HIS 263 HD2 -0.04 0.10 -0.12 -0.04 6.97 6.86 1mioA1 HIS 263 HE1 -0.05 -0.01 -0.13 -0.04 7.75 7.52 1mioA1 ARG 264 H -0.13 0.09 -0.05 -0.55 8.46 7.82 1mioA1 ARG 264 HA -0.12 0.12 0.29 -0.75 4.34 3.87 1mioA1 ARG 264 HB2 -0.10 0.14 0.15 -0.04 1.90 2.05 1mioA1 ARG 264 HB3 -0.01 -0.13 0.02 -0.04 1.80 1.64 1mioA1 ARG 264 HG2 0.48 -0.11 -0.10 -0.04 1.67 1.90 1mioA1 ARG 264 HG3 0.23 0.07 -0.17 -0.04 1.67 1.76 1mioA1 ARG 264 HD2 -0.15 -0.00 0.02 -0.04 3.22 3.05 1mioA1 ARG 264 HD3 -0.04 -0.05 0.00 -0.04 3.22 3.09 1mioA1 SER 265 H -0.22 -0.04 -0.34 -0.55 8.46 7.32 1mioA1 SER 265 HA -0.44 0.13 0.49 -0.75 4.49 3.92 1mioA1 SER 265 HB2 -0.09 0.10 -0.01 -0.04 3.95 3.90 1mioA1 SER 265 HB3 -0.60 -0.06 0.01 -0.04 3.93 3.25 1mioA1 ILE 266 H -0.19 0.23 -0.03 -0.55 8.25 7.71 1mioA1 ILE 266 HA -0.03 0.38 1.31 -0.75 4.18 5.09 1mioA1 ILE 266 HB -0.10 -0.02 0.13 -0.04 1.89 1.85 1mioA1 ILE 266 HG12 -0.18 -0.09 0.03 -0.04 1.49 1.21 1mioA1 ILE 266 HG13 -0.24 0.10 -0.02 -0.04 1.21 1.01 1mioA1 ILE 266 HG23 0.01 0.01 -0.10 -0.04 0.93 0.81 1mioA1 ILE 266 HD13 -0.13 -0.01 0.08 -0.04 0.88 0.79 1mioA1 ASN 267 H -0.60 0.37 -0.45 -0.55 8.53 7.30 1mioA1 ASN 267 HA -0.80 0.12 0.50 -0.75 4.76 3.82 1mioA1 ASN 267 HB2 -0.91 -0.01 0.02 -0.04 2.88 1.94 1mioA1 ASN 267 HB3 -1.20 0.24 0.06 -0.04 2.79 1.85 1mioA1 ASN 267 HD21 -0.78 -0.06 0.01 -0.04 7.03 6.16 1mioA1 ASN 267 HD22 -0.62 0.35 0.02 -0.04 7.74 7.44 1mioA1 TYR 268 H -0.64 0.16 -0.09 -0.55 8.29 7.18 1mioA1 TYR 268 HA -0.17 0.11 0.31 -0.75 4.56 4.06 1mioA1 TYR 268 HB2 -0.20 0.02 -0.01 -0.04 3.06 2.83 1mioA1 TYR 268 HB3 -0.28 0.06 0.03 -0.04 2.98 2.75 1mioA1 TYR 268 HD2 -0.27 0.01 0.07 -0.04 7.15 6.92 1mioA1 TYR 268 HE2 0.05 0.11 0.02 -0.04 6.85 6.99 1mioA1 ILE 269 H -0.09 0.03 -0.39 -0.55 8.25 7.25 1mioA1 ILE 269 HA -0.03 0.11 0.21 -0.75 4.18 3.72 1mioA1 ILE 269 HB -0.13 0.07 0.06 -0.04 1.89 1.85 1mioA1 ILE 269 HG12 -0.01 -0.10 0.01 -0.04 1.49 1.35 1mioA1 ILE 269 HG13 -0.04 -0.04 -0.01 -0.04 1.21 1.08 1mioA1 ILE 269 HG23 -0.06 0.02 -0.18 -0.04 0.93 0.67 1mioA1 ILE 269 HD13 -0.00 0.03 -0.03 -0.04 0.88 0.84 1mioA1 ALA 270 H -0.33 0.23 -0.33 -0.55 8.40 7.42 1mioA1 ALA 270 HA -0.21 0.05 0.11 -0.75 4.34 3.54 1mioA1 ALA 270 HB3 -1.02 0.03 0.04 -0.04 1.41 0.43 1mioA1 GLU 271 H -0.28 0.37 -0.31 -0.55 8.60 7.84 1mioA1 GLU 271 HA 0.11 0.03 0.39 -0.75 4.29 4.06 1mioA1 GLU 271 HB2 -0.12 0.09 0.13 -0.04 2.09 2.15 1mioA1 GLU 271 HB3 -0.08 0.12 0.17 -0.04 1.99 2.16 1mioA1 GLU 271 HG2 0.04 0.01 -0.04 -0.04 2.34 2.31 1mioA1 GLU 271 HG3 0.07 -0.01 0.01 -0.04 2.34 2.37 1mioA1 MET 272 H -0.01 0.52 0.00 -0.55 8.47 8.43 1mioA1 MET 272 HA 0.03 -0.02 0.13 -0.75 4.52 3.91 1mioA1 MET 272 HB2 0.01 0.10 0.04 -0.04 2.15 2.26 1mioA1 MET 272 HB3 0.02 -0.01 -0.07 -0.04 2.03 1.92 1mioA1 MET 272 HG2 0.02 -0.04 -0.09 -0.04 2.63 2.48 1mioA1 MET 272 HG3 0.02 0.05 0.03 -0.04 2.56 2.61 1mioA1 MET 272 HE3 0.00 0.02 -0.25 -0.04 2.10 1.84 1mioA1 MET 273 H 0.03 0.48 -0.54 -0.55 8.47 7.90 1mioA1 MET 273 HA 0.20 0.02 0.37 -0.75 4.52 4.36 1mioA1 MET 273 HB2 0.03 0.10 -0.05 -0.04 2.15 2.20 1mioA1 MET 273 HB3 0.10 0.02 -0.16 -0.04 2.03 1.94 1mioA1 MET 273 HG2 0.11 -0.02 -0.12 -0.04 2.63 2.56 1mioA1 MET 273 HG3 0.01 0.00 -0.18 -0.04 2.56 2.35 1mioA1 MET 273 HE3 -0.05 0.03 -0.31 -0.04 2.10 1.73 1mioA1 GLU 274 H 0.11 0.53 0.02 -0.55 8.60 8.71 1mioA1 GLU 274 HA 0.10 -0.03 0.40 -0.75 4.29 4.01 1mioA1 GLU 274 HB2 0.22 0.14 0.18 -0.04 2.09 2.59 1mioA1 GLU 274 HB3 0.16 0.09 0.28 -0.04 1.99 2.48 1mioA1 GLU 274 HG2 0.13 -0.02 -0.16 -0.04 2.34 2.24 1mioA1 GLU 274 HG3 0.10 -0.02 -0.25 -0.04 2.34 2.13 1mioA1 THR 275 H 0.10 0.47 -0.07 -0.55 8.28 8.24 1mioA1 THR 275 HA 0.15 0.01 0.21 -0.75 4.39 4.01 1mioA1 THR 275 HB 0.05 0.03 -0.07 -0.04 4.32 4.28 1mioA1 THR 275 HG23 0.03 -0.01 -0.08 -0.04 1.22 1.11 1mioA1 LYS 276 H 0.03 0.26 -0.51 -0.55 8.42 7.64 1mioA1 LYS 276 HA -0.07 0.04 0.74 -0.75 4.32 4.27 1mioA1 LYS 276 HB2 -0.15 -0.07 -0.11 -0.04 1.87 1.49 1mioA1 LYS 276 HB3 -0.23 0.16 0.13 -0.04 1.79 1.80 1mioA1 LYS 276 HG2 -0.69 -0.02 -0.05 -0.04 1.46 0.66 1mioA1 LYS 276 HG3 -1.30 -0.02 -0.20 -0.04 1.46 -0.10 1mioA1 LYS 276 HD2 -0.31 -0.09 0.04 -0.04 1.69 1.29 1mioA1 LYS 276 HD3 -0.19 0.41 0.14 -0.04 1.68 2.00 1mioA1 LYS 276 HE2 -0.09 -0.03 0.03 -0.04 2.99 2.86 1mioA1 LYS 276 HE3 -0.12 -0.08 -0.02 -0.04 2.99 2.73 1mioA1 TYR 277 H 0.10 0.36 0.08 -0.55 8.29 8.28 1mioA1 TYR 277 HA 0.03 0.12 0.91 -0.75 4.56 4.87 1mioA1 TYR 277 HB2 -0.02 0.09 0.14 -0.04 3.06 3.22 1mioA1 TYR 277 HB3 -0.04 0.10 0.16 -0.04 2.98 3.15 1mioA1 TYR 277 HD2 0.01 0.12 0.03 -0.04 7.15 7.27 1mioA1 TYR 277 HE2 0.01 -0.01 -0.04 -0.04 6.85 6.76 1mioA1 GLY 278 H 0.00 0.68 0.29 -0.55 8.43 8.86 1mioA1 GLY 278 HA2 -0.25 -0.05 0.35 -0.51 4.01 3.54 1mioA1 GLY 278 HA3 -0.71 0.32 0.81 -0.51 4.01 3.92 1mioA1 ILE 279 H 0.04 0.13 -0.02 -0.55 8.25 7.85 1mioA1 ILE 279 HA -0.02 0.28 0.52 -0.75 4.18 4.21 1mioA1 ILE 279 HB 0.06 -0.15 -0.10 -0.04 1.89 1.66 1mioA1 ILE 279 HG12 -0.02 0.28 -0.09 -0.04 1.49 1.62 1mioA1 ILE 279 HG13 0.03 -0.07 -0.19 -0.04 1.21 0.94 1mioA1 ILE 279 HG23 0.02 0.05 -0.46 -0.04 0.93 0.50 1mioA1 ILE 279 HD13 -0.06 0.01 -0.07 -0.04 0.88 0.72 1mioA1 PRO 280 HA 0.08 -0.02 0.61 -0.51 4.44 4.60 1mioA1 PRO 280 HB2 -0.05 0.01 -0.00 -0.04 2.28 2.19 1mioA1 PRO 280 HB3 -0.03 0.00 0.13 -0.04 2.02 2.08 1mioA1 PRO 280 HG2 -0.06 -0.02 0.14 -0.04 2.03 2.05 1mioA1 PRO 280 HG3 -0.07 -0.04 0.15 -0.04 2.03 2.03 1mioA1 PRO 280 HD2 -0.04 0.34 0.44 -0.04 3.68 4.37 1mioA1 PRO 280 HD3 -0.04 0.25 0.42 -0.04 3.65 4.24 1mioA1 TRP 281 H 0.19 0.10 0.23 -0.55 7.97 7.94 1mioA1 TRP 281 HA -0.03 0.24 1.17 -0.75 4.62 5.25 1mioA1 TRP 281 HB2 -0.04 0.04 0.08 -0.04 3.23 3.28 1mioA1 TRP 281 HB3 -0.03 0.04 0.05 -0.04 3.23 3.25 1mioA1 TRP 281 HD1 -0.01 0.15 -0.01 -0.04 7.22 7.31 1mioA1 TRP 281 HE1 -0.01 0.05 -0.10 -0.04 10.20 10.11 1mioA1 TRP 281 HE3 -0.02 0.16 -0.42 -0.04 7.59 7.27 1mioA1 TRP 281 HZ2 0.05 0.05 -0.21 -0.04 7.44 7.29 1mioA1 TRP 281 HZ3 0.09 0.02 -0.20 -0.04 7.13 7.00 1mioA1 TRP 281 HH2 0.27 -0.08 -0.30 -0.04 7.19 7.03 1mioA1 ILE 282 H 0.19 0.51 0.34 -0.55 8.25 8.74 1mioA1 ILE 282 HA -0.10 0.28 1.01 -0.75 4.18 4.62 1mioA1 ILE 282 HB 0.01 0.08 -0.12 -0.04 1.89 1.82 1mioA1 ILE 282 HG12 0.05 0.01 -0.14 -0.04 1.49 1.36 1mioA1 ILE 282 HG13 0.09 -0.16 -0.13 -0.04 1.21 0.97 1mioA1 ILE 282 HG23 -0.03 0.00 -0.25 -0.04 0.93 0.60 1mioA1 ILE 282 HD13 0.02 0.02 -0.22 -0.04 0.88 0.65 1mioA1 LYS 283 H 0.03 0.58 0.25 -0.55 8.42 8.73 1mioA1 LYS 283 HA 0.28 0.06 0.89 -0.75 4.32 4.79 1mioA1 LYS 283 HB2 0.26 0.24 0.27 -0.04 1.87 2.60 1mioA1 LYS 283 HB3 0.14 -0.02 0.30 -0.04 1.79 2.17 1mioA1 LYS 283 HG2 0.44 -0.10 0.09 -0.04 1.46 1.85 1mioA1 LYS 283 HG3 0.13 0.05 -0.03 -0.04 1.46 1.57 1mioA1 LYS 283 HD2 0.15 0.13 0.14 -0.04 1.69 2.07 1mioA1 LYS 283 HD3 0.19 -0.10 -0.01 -0.04 1.68 1.71 1mioA1 LYS 283 HE2 -0.27 -0.22 -0.07 -0.04 2.99 2.38 1mioA1 LYS 283 HE3 -0.75 -0.10 0.01 -0.04 2.99 2.11 1mioA1 CYS 284 H 0.10 0.45 0.27 -0.55 8.50 8.76 1mioA1 CYS 284 HA 0.01 0.18 0.82 -0.75 4.58 4.83 1mioA1 CYS 284 HB2 0.14 -0.02 0.02 -0.04 2.97 3.07 1mioA1 CYS 284 HB3 0.11 0.02 -0.07 -0.04 2.97 2.99 1mioA1 ASN 285 H -0.10 0.26 0.02 -0.55 8.53 8.17 1mioA1 ASN 285 HA 0.01 0.01 0.49 -0.75 4.76 4.52 1mioA1 ASN 285 HB2 -0.08 0.17 -0.01 -0.04 2.88 2.91 1mioA1 ASN 285 HB3 -0.12 0.08 0.13 -0.04 2.79 2.85 1mioA1 ASN 285 HD21 -0.26 0.01 0.11 -0.04 7.03 6.85 1mioA1 ASN 285 HD22 -0.14 -0.01 0.12 -0.04 7.74 7.67 1mioA1 PHE 286 H 0.24 0.10 0.00 -0.55 8.34 8.13 1mioA1 PHE 286 HA -0.17 0.33 0.92 -0.75 4.62 4.95 1mioA1 PHE 286 HB2 -0.11 -0.07 0.05 -0.04 3.15 2.99 1mioA1 PHE 286 HB3 -0.13 -0.05 0.18 -0.04 3.06 3.02 1mioA1 PHE 286 HD2 -0.10 -0.10 -0.12 -0.04 7.28 6.92 1mioA1 PHE 286 HE2 -0.06 0.05 -0.09 -0.04 7.38 7.24 1mioA1 PHE 286 HZ -0.08 0.08 -0.11 -0.04 7.32 7.17 1mioA1 ILE 287 H -0.15 0.19 -0.30 -0.55 8.25 7.44 1mioA1 ILE 287 HA -0.21 0.12 0.79 -0.75 4.18 4.13 1mioA1 ILE 287 HB -0.38 -0.03 0.05 -0.04 1.89 1.50 1mioA1 ILE 287 HG12 -0.68 -0.00 -0.10 -0.04 1.49 0.67 1mioA1 ILE 287 HG13 -0.21 0.07 -0.12 -0.04 1.21 0.90 1mioA1 ILE 287 HG23 -0.94 0.02 -0.26 -0.04 0.93 -0.29 1mioA1 ILE 287 HD13 -0.10 -0.05 -0.11 -0.04 0.88 0.57 1mioA1 GLY 288 H -0.22 0.22 0.08 -0.55 8.43 7.96 1mioA1 GLY 288 HA2 -0.23 0.08 0.43 -0.51 4.01 3.77 1mioA1 GLY 288 HA3 -0.26 0.12 0.68 -0.51 4.01 4.05 1mioA1 VAL 289 H -0.08 0.23 0.15 -0.55 8.24 7.99 1mioA1 VAL 289 HA -0.14 0.07 0.32 -0.75 4.13 3.63 1mioA1 VAL 289 HB 0.04 0.02 0.16 -0.04 2.12 2.30 1mioA1 VAL 289 HG13 0.15 0.03 -0.04 -0.04 0.97 1.07 1mioA1 VAL 289 HG23 0.19 0.01 0.06 -0.04 0.95 1.17 1mioA1 ASP 290 H -0.10 0.04 -0.24 -0.55 8.40 7.55 1mioA1 ASP 290 HA -0.05 0.14 0.40 -0.75 4.63 4.36 1mioA1 ASP 290 HB2 -0.10 -0.07 0.09 -0.04 2.71 2.58 1mioA1 ASP 290 HB3 -0.07 0.09 0.01 -0.04 2.70 2.69 1mioA1 GLY 291 H -0.16 0.01 -0.15 -0.55 8.43 7.59 1mioA1 GLY 291 HA2 -0.14 0.02 0.32 -0.51 4.01 3.70 1mioA1 GLY 291 HA3 -0.19 0.13 0.30 -0.51 4.01 3.74 1mioA1 ILE 292 H -0.24 0.46 -0.35 -0.55 8.25 7.56 1mioA1 ILE 292 HA -0.51 0.07 0.42 -0.75 4.18 3.41 1mioA1 ILE 292 HB -0.35 -0.05 -0.11 -0.04 1.89 1.35 1mioA1 ILE 292 HG12 -0.44 0.04 -0.13 -0.04 1.49 0.92 1mioA1 ILE 292 HG13 -0.71 -0.06 0.02 -0.04 1.21 0.41 1mioA1 ILE 292 HG23 -0.64 0.01 -0.08 -0.04 0.93 0.18 1mioA1 ILE 292 HD13 -0.43 -0.00 -0.13 -0.04 0.88 0.27 1mioA1 VAL 293 H -0.13 0.55 -0.06 -0.55 8.24 8.05 1mioA1 VAL 293 HA -0.04 -0.02 0.25 -0.75 4.13 3.57 1mioA1 VAL 293 HB 0.02 -0.04 0.05 -0.04 2.12 2.11 1mioA1 VAL 293 HG13 0.10 0.08 0.09 -0.04 0.97 1.20 1mioA1 VAL 293 HG23 -0.02 0.03 0.05 -0.04 0.95 0.97 1mioA1 GLU 294 H -0.10 0.50 -0.13 -0.55 8.60 8.32 1mioA1 GLU 294 HA -0.04 0.04 0.45 -0.75 4.29 3.99 1mioA1 GLU 294 HB2 -0.05 0.02 0.05 -0.04 2.09 2.07 1mioA1 GLU 294 HB3 -0.05 -0.01 0.07 -0.04 1.99 1.97 1mioA1 GLU 294 HG2 -0.10 0.15 0.13 -0.04 2.34 2.48 1mioA1 GLU 294 HG3 -0.06 0.00 0.01 -0.04 2.34 2.25 1mioA1 THR 295 H -0.17 0.48 0.04 -0.55 8.28 8.07 1mioA1 THR 295 HA -0.11 0.04 0.39 -0.75 4.39 3.96 1mioA1 THR 295 HB -0.50 0.22 0.18 -0.04 4.32 4.18 1mioA1 THR 295 HG23 -0.42 -0.04 -0.10 -0.04 1.22 0.62 1mioA1 LEU 296 H -0.18 0.47 -0.33 -0.55 8.37 7.79 1mioA1 LEU 296 HA -0.02 -0.04 0.31 -0.75 4.35 3.85 1mioA1 LEU 296 HB2 -0.06 0.22 0.14 -0.04 1.64 1.90 1mioA1 LEU 296 HB3 0.03 -0.02 -0.05 -0.04 1.64 1.55 1mioA1 LEU 296 HG 0.06 -0.03 -0.02 -0.04 1.64 1.60 1mioA1 LEU 296 HD13 -0.29 0.07 -0.04 -0.04 0.93 0.62 1mioA1 LEU 296 HD23 0.06 -0.01 -0.09 -0.04 0.89 0.81 1mioA1 ARG 297 H -0.03 0.48 -0.04 -0.55 8.46 8.32 1mioA1 ARG 297 HA 0.03 0.01 0.50 -0.75 4.34 4.13 1mioA1 ARG 297 HB2 -0.02 0.12 0.30 -0.04 1.90 2.26 1mioA1 ARG 297 HB3 -0.00 -0.02 0.07 -0.04 1.80 1.81 1mioA1 ARG 297 HG2 0.01 -0.03 0.04 -0.04 1.67 1.65 1mioA1 ARG 297 HG3 0.01 0.02 0.05 -0.04 1.67 1.70 1mioA1 ARG 297 HD2 -0.01 -0.00 -0.09 -0.04 3.22 3.08 1mioA1 ARG 297 HD3 -0.00 -0.01 -0.01 -0.04 3.22 3.16 1mioA1 ASP 298 H -0.01 0.69 -0.01 -0.55 8.40 8.52 1mioA1 ASP 298 HA 0.01 0.02 0.34 -0.75 4.63 4.24 1mioA1 ASP 298 HB2 -0.02 0.09 0.08 -0.04 2.71 2.82 1mioA1 ASP 298 HB3 -0.01 -0.07 0.01 -0.04 2.70 2.58 1mioA1 MET 299 H 0.03 0.56 -0.23 -0.55 8.47 8.29 1mioA1 MET 299 HA 0.09 -0.01 0.36 -0.75 4.52 4.20 1mioA1 MET 299 HB2 0.10 0.19 0.10 -0.04 2.15 2.50 1mioA1 MET 299 HB3 0.10 -0.05 -0.09 -0.04 2.03 1.94 1mioA1 MET 299 HG2 0.00 -0.08 -0.07 -0.04 2.63 2.45 1mioA1 MET 299 HG3 -0.03 0.19 -0.14 -0.04 2.56 2.53 1mioA1 MET 299 HE3 0.02 -0.01 -0.20 -0.04 2.10 1.87 1mioA1 ALA 300 H 0.13 0.46 -0.26 -0.55 8.40 8.18 1mioA1 ALA 300 HA 0.25 0.03 0.35 -0.75 4.34 4.21 1mioA1 ALA 300 HB3 0.09 0.03 0.07 -0.04 1.41 1.56 1mioA1 LYS 301 H 0.06 0.46 -0.11 -0.55 8.42 8.28 1mioA1 LYS 301 HA 0.04 -0.03 0.40 -0.75 4.32 3.98 1mioA1 LYS 301 HB2 0.01 0.16 0.15 -0.04 1.87 2.14 1mioA1 LYS 301 HB3 0.00 -0.04 -0.01 -0.04 1.79 1.70 1mioA1 LYS 301 HG2 0.02 -0.06 -0.00 -0.04 1.46 1.37 1mioA1 LYS 301 HG3 0.02 0.16 -0.04 -0.04 1.46 1.56 1mioA1 LYS 301 HD2 -0.00 0.01 -0.04 -0.04 1.69 1.62 1mioA1 LYS 301 HD3 -0.00 0.01 -0.03 -0.04 1.68 1.61 1mioA1 LYS 301 HE2 0.00 -0.04 -0.07 -0.04 2.99 2.84 1mioA1 LYS 301 HE3 0.00 -0.04 -0.16 -0.04 2.99 2.75 1mioA1 CYS 302 H 0.04 0.34 -0.41 -0.55 8.50 7.93 1mioA1 CYS 302 HA -0.06 0.05 0.57 -0.75 4.58 4.38 1mioA1 CYS 302 HB2 -0.11 0.09 0.04 -0.04 2.97 2.95 1mioA1 CYS 302 HB3 -0.22 -0.05 -0.03 -0.04 2.97 2.63 1mioA1 PHE 303 H 0.28 0.46 -0.10 -0.55 8.34 8.42 1mioA1 PHE 303 HA 0.12 0.13 0.75 -0.75 4.62 4.88 1mioA1 PHE 303 HB2 0.21 -0.01 0.16 -0.04 3.15 3.46 1mioA1 PHE 303 HB3 0.32 -0.06 0.08 -0.04 3.06 3.36 1mioA1 PHE 303 HD2 0.28 0.14 -0.00 -0.04 7.28 7.65 1mioA1 PHE 303 HE2 0.09 -0.05 -0.04 -0.04 7.38 7.34 1mioA1 PHE 303 HZ 0.12 0.00 -0.08 -0.04 7.32 7.33 1mioA1 ASP 304 H 0.08 0.27 -0.45 -0.55 8.40 7.75 1mioA1 ASP 304 HA 0.09 0.12 0.24 -0.75 4.63 4.33 1mioA1 ASP 304 HB2 0.04 0.17 0.10 -0.04 2.71 2.97 1mioA1 ASP 304 HB3 0.04 -0.08 0.15 -0.04 2.70 2.77 1mioA1 ASP 305 H 0.09 0.19 0.19 -0.55 8.40 8.32 1mioA1 ASP 305 HA 0.08 0.15 0.75 -0.75 4.63 4.86 1mioA1 ASP 305 HB2 0.23 0.11 -0.40 -0.04 2.71 2.61 1mioA1 ASP 305 HB3 0.12 0.06 0.17 -0.04 2.70 3.01 1mioA1 PRO 306 HA 0.01 0.05 0.37 -0.51 4.44 4.36 1mioA1 PRO 306 HB2 0.01 0.04 0.05 -0.04 2.28 2.34 1mioA1 PRO 306 HB3 0.01 0.06 0.10 -0.04 2.02 2.16 1mioA1 PRO 306 HG2 0.03 -0.02 0.06 -0.04 2.03 2.06 1mioA1 PRO 306 HG3 0.02 0.09 0.07 -0.04 2.03 2.17 1mioA1 PRO 306 HD2 0.04 0.22 0.19 -0.04 3.68 4.09 1mioA1 PRO 306 HD3 0.03 0.15 0.09 -0.04 3.65 3.88 1mioA1 GLU 307 H 0.01 0.15 -0.04 -0.55 8.60 8.17 1mioA1 GLU 307 HA -0.02 0.06 0.43 -0.75 4.29 4.00 1mioA1 GLU 307 HB2 -0.03 0.05 0.11 -0.04 2.09 2.18 1mioA1 GLU 307 HB3 -0.03 0.03 0.10 -0.04 1.99 2.05 1mioA1 GLU 307 HG2 -0.00 0.06 0.05 -0.04 2.34 2.41 1mioA1 GLU 307 HG3 -0.00 -0.01 0.07 -0.04 2.34 2.36 1mioA1 LEU 308 H -0.06 0.24 -0.01 -0.55 8.37 8.00 1mioA1 LEU 308 HA -0.25 0.04 0.32 -0.75 4.35 3.71 1mioA1 LEU 308 HB2 -0.32 -0.06 0.13 -0.04 1.64 1.35 1mioA1 LEU 308 HB3 -0.09 0.22 0.23 -0.04 1.64 1.97 1mioA1 LEU 308 HG -0.48 0.04 0.01 -0.04 1.64 1.17 1mioA1 LEU 308 HD13 -0.04 0.02 -0.13 -0.04 0.93 0.74 1mioA1 LEU 308 HD23 -1.16 -0.02 -0.09 -0.04 0.89 -0.42 1mioA1 THR 309 H -0.02 0.48 -0.28 -0.55 8.28 7.92 1mioA1 THR 309 HA 0.01 0.03 0.36 -0.75 4.39 4.03 1mioA1 THR 309 HB 0.01 0.04 -0.09 -0.04 4.32 4.23 1mioA1 THR 309 HG23 0.02 -0.01 -0.07 -0.04 1.22 1.12 1mioA1 LYS 310 H -0.03 0.47 -0.23 -0.55 8.42 8.07 1mioA1 LYS 310 HA -0.01 0.09 0.91 -0.75 4.32 4.55 1mioA1 LYS 310 HB2 -0.01 -0.07 0.07 -0.04 1.87 1.82 1mioA1 LYS 310 HB3 -0.01 -0.00 0.02 -0.04 1.79 1.76 1mioA1 LYS 310 HG2 -0.01 -0.08 -0.02 -0.04 1.46 1.30 1mioA1 LYS 310 HG3 -0.03 0.24 0.35 -0.04 1.46 1.99 1mioA1 LYS 310 HD2 -0.03 -0.01 -0.31 -0.04 1.69 1.31 1mioA1 LYS 310 HD3 -0.02 -0.05 -0.04 -0.04 1.68 1.53 1mioA1 LYS 310 HE2 -0.02 -0.07 0.05 -0.04 2.99 2.91 1mioA1 LYS 310 HE3 -0.04 0.10 0.13 -0.04 2.99 3.15 1mioA1 ARG 311 H -0.06 0.81 0.20 -0.55 8.46 8.86 1mioA1 ARG 311 HA -0.04 -0.02 0.44 -0.75 4.34 3.96 1mioA1 ARG 311 HB2 -0.14 0.06 0.17 -0.04 1.90 1.95 1mioA1 ARG 311 HB3 -0.10 0.05 0.11 -0.04 1.80 1.81 1mioA1 ARG 311 HG2 -0.07 -0.06 0.06 -0.04 1.67 1.56 1mioA1 ARG 311 HG3 -0.08 0.13 -0.05 -0.04 1.67 1.63 1mioA1 ARG 311 HD2 -0.26 -0.05 -0.03 -0.04 3.22 2.84 1mioA1 ARG 311 HD3 -0.15 0.28 0.13 -0.04 3.22 3.44 1mioA1 THR 312 H -0.05 0.52 -0.26 -0.55 8.28 7.94 1mioA1 THR 312 HA 0.02 -0.03 0.35 -0.75 4.39 3.97 1mioA1 THR 312 HB 0.04 -0.07 -0.08 -0.04 4.32 4.18 1mioA1 THR 312 HG23 0.06 0.04 0.01 -0.04 1.22 1.29 1mioA1 GLU 313 H -0.00 0.27 -0.26 -0.55 8.60 8.06 1mioA1 GLU 313 HA 0.01 -0.04 0.40 -0.75 4.29 3.90 1mioA1 GLU 313 HB2 -0.00 0.12 0.27 -0.04 2.09 2.44 1mioA1 GLU 313 HB3 -0.00 -0.03 0.03 -0.04 1.99 1.95 1mioA1 GLU 313 HG2 0.00 0.06 0.09 -0.04 2.34 2.45 1mioA1 GLU 313 HG3 0.00 -0.05 0.06 -0.04 2.34 2.31 1mioA1 GLU 314 H -0.01 0.56 -0.24 -0.55 8.60 8.36 1mioA1 GLU 314 HA -0.02 0.00 0.48 -0.75 4.29 4.00 1mioA1 GLU 314 HB2 -0.02 0.20 0.28 -0.04 2.09 2.51 1mioA1 GLU 314 HB3 -0.02 -0.06 0.03 -0.04 1.99 1.90 1mioA1 GLU 314 HG2 -0.02 0.05 -0.03 -0.04 2.34 2.31 1mioA1 GLU 314 HG3 -0.02 -0.04 -0.09 -0.04 2.34 2.15 1mioA1 VAL 315 H -0.01 0.66 0.09 -0.55 8.24 8.44 1mioA1 VAL 315 HA -0.03 -0.01 0.46 -0.75 4.13 3.79 1mioA1 VAL 315 HB 0.02 0.10 0.16 -0.04 2.12 2.36 1mioA1 VAL 315 HG13 0.05 -0.02 -0.05 -0.04 0.97 0.91 1mioA1 VAL 315 HG23 -0.01 0.02 0.02 -0.04 0.95 0.94 1mioA1 ILE 316 H 0.02 0.74 -0.04 -0.55 8.25 8.42 1mioA1 ILE 316 HA 0.06 -0.06 0.40 -0.75 4.18 3.83 1mioA1 ILE 316 HB 0.03 0.13 0.13 -0.04 1.89 2.13 1mioA1 ILE 316 HG12 0.17 -0.11 0.02 -0.04 1.49 1.53 1mioA1 ILE 316 HG13 0.10 0.04 0.07 -0.04 1.21 1.38 1mioA1 ILE 316 HG23 0.07 -0.02 -0.11 -0.04 0.93 0.83 1mioA1 ILE 316 HD13 0.04 -0.01 -0.12 -0.04 0.88 0.75 1mioA1 ALA 317 H -0.03 0.47 -0.21 -0.55 8.40 8.08 1mioA1 ALA 317 HA -0.05 -0.03 0.27 -0.75 4.34 3.79 1mioA1 ALA 317 HB3 -0.02 0.05 0.13 -0.04 1.41 1.52 1mioA1 GLU 318 H -0.06 0.54 -0.04 -0.55 8.60 8.49 1mioA1 GLU 318 HA -0.06 0.03 0.45 -0.75 4.29 3.96 1mioA1 GLU 318 HB2 -0.05 -0.05 0.11 -0.04 2.09 2.07 1mioA1 GLU 318 HB3 -0.04 0.08 0.16 -0.04 1.99 2.15 1mioA1 GLU 318 HG2 -0.06 0.11 0.23 -0.04 2.34 2.59 1mioA1 GLU 318 HG3 -0.07 -0.03 -0.02 -0.04 2.34 2.17 1mioA1 GLU 319 H -0.19 0.60 -0.16 -0.55 8.60 8.31 1mioA1 GLU 319 HA -0.21 -0.02 0.40 -0.75 4.29 3.71 1mioA1 GLU 319 HB2 -0.30 0.33 0.18 -0.04 2.09 2.25 1mioA1 GLU 319 HB3 -1.18 0.02 0.06 -0.04 1.99 0.86 1mioA1 GLU 319 HG2 -0.60 -0.15 0.02 -0.04 2.34 1.57 1mioA1 GLU 319 HG3 -0.22 -0.03 0.11 -0.04 2.34 2.16 1mioA1 ILE 320 H -0.26 0.52 -0.05 -0.55 8.25 7.91 1mioA1 ILE 320 HA -0.13 -0.02 0.65 -0.75 4.18 3.92 1mioA1 ILE 320 HB -0.07 0.10 0.10 -0.04 1.89 1.99 1mioA1 ILE 320 HG12 0.15 -0.08 0.02 -0.04 1.49 1.53 1mioA1 ILE 320 HG13 -0.27 -0.02 -0.03 -0.04 1.21 0.86 1mioA1 ILE 320 HG23 0.02 -0.01 -0.10 -0.04 0.93 0.79 1mioA1 ILE 320 HD13 0.14 -0.00 -0.06 -0.04 0.88 0.92 1mioA1 ALA 321 H -0.08 0.60 -0.07 -0.55 8.40 8.30 1mioA1 ALA 321 HA -0.03 -0.01 0.50 -0.75 4.34 4.04 1mioA1 ALA 321 HB3 -0.04 0.05 0.17 -0.04 1.41 1.55 1mioA1 ALA 322 H -0.07 0.49 -0.08 -0.55 8.40 8.19 1mioA1 ALA 322 HA -0.03 -0.00 0.30 -0.75 4.34 3.86 1mioA1 ALA 322 HB3 -0.05 0.08 0.10 -0.04 1.41 1.49 1mioA1 ILE 323 H -0.03 0.34 -0.19 -0.55 8.25 7.81 1mioA1 ILE 323 HA 0.03 0.15 0.87 -0.75 4.18 4.49 1mioA1 ILE 323 HB 0.14 -0.11 0.17 -0.04 1.89 2.05 1mioA1 ILE 323 HG12 0.25 -0.10 -0.00 -0.04 1.49 1.61 1mioA1 ILE 323 HG13 0.01 0.28 0.16 -0.04 1.21 1.62 1mioA1 ILE 323 HG23 0.12 0.02 -0.16 -0.04 0.93 0.87 1mioA1 ILE 323 HD13 0.14 0.01 -0.08 -0.04 0.88 0.91 1mioA1 GLN 324 H -0.01 0.65 -0.16 -0.55 8.47 8.40 1mioA1 GLN 324 HA 0.01 -0.02 0.28 -0.75 4.36 3.87 1mioA1 GLN 324 HB2 -0.01 0.21 0.21 -0.04 2.15 2.52 1mioA1 GLN 324 HB3 -0.02 0.04 0.26 -0.04 2.02 2.27 1mioA1 GLN 324 HG2 -0.01 -0.00 0.00 -0.04 2.40 2.35 1mioA1 GLN 324 HG3 -0.01 -0.03 -0.22 -0.04 2.39 2.09 1mioA1 GLN 324 HE21 0.02 -0.03 -0.02 -0.04 6.97 6.90 1mioA1 GLN 324 HE22 0.01 0.10 -0.05 -0.04 7.69 7.71 1mioA1 ASP 325 H -0.04 0.24 0.02 -0.55 8.40 8.08 1mioA1 ASP 325 HA -0.04 0.08 0.25 -0.75 4.63 4.16 1mioA1 ASP 325 HB2 -0.05 0.01 0.03 -0.04 2.71 2.67 1mioA1 ASP 325 HB3 -0.06 0.03 0.02 -0.04 2.70 2.65 1mioA1 ASP 326 H -0.15 0.17 -0.44 -0.55 8.40 7.43 1mioA1 ASP 326 HA -0.19 0.27 1.08 -0.75 4.63 5.04 1mioA1 ASP 326 HB2 -0.83 -0.01 -0.00 -0.04 2.71 1.83 1mioA1 ASP 326 HB3 -0.18 0.06 -0.02 -0.04 2.70 2.52 1mioA1 LEU 327 H -0.24 0.37 0.08 -0.55 8.37 8.04 1mioA1 LEU 327 HA 0.20 -0.00 0.55 -0.75 4.35 4.34 1mioA1 LEU 327 HB2 0.15 -0.04 0.18 -0.04 1.64 1.89 1mioA1 LEU 327 HB3 0.00 0.24 0.32 -0.04 1.64 2.16 1mioA1 LEU 327 HG 0.12 0.06 -0.08 -0.04 1.64 1.69 1mioA1 LEU 327 HD13 0.28 -0.03 0.03 -0.04 0.93 1.16 1mioA1 LEU 327 HD23 0.08 -0.01 -0.00 -0.04 0.89 0.93 1mioA1 ASP 328 H -0.06 0.52 -0.10 -0.55 8.40 8.22 1mioA1 ASP 328 HA 0.01 0.16 0.71 -0.75 4.63 4.76 1mioA1 ASP 328 HB2 0.01 0.01 0.18 -0.04 2.71 2.87 1mioA1 ASP 328 HB3 0.01 -0.01 0.05 -0.04 2.70 2.71 1mioA1 TYR 329 H -0.16 0.25 -0.83 -0.55 8.29 7.00 1mioA1 TYR 329 HA -0.08 0.13 0.75 -0.75 4.56 4.61 1mioA1 TYR 329 HB2 -0.12 0.05 0.14 -0.04 3.06 3.09 1mioA1 TYR 329 HB3 -0.31 -0.04 0.30 -0.04 2.98 2.89 1mioA1 TYR 329 HD2 -0.26 0.02 0.04 -0.04 7.15 6.91 1mioA1 TYR 329 HE2 0.12 -0.01 -0.06 -0.04 6.85 6.86 1mioA1 PHE 330 H -0.41 0.77 0.22 -0.55 8.34 8.36 1mioA1 PHE 330 HA -0.64 0.02 0.40 -0.75 4.62 3.65 1mioA1 PHE 330 HB2 -0.39 0.18 0.25 -0.04 3.15 3.14 1mioA1 PHE 330 HB3 -0.81 -0.03 0.09 -0.04 3.06 2.27 1mioA1 PHE 330 HD2 -0.20 0.02 0.03 -0.04 7.28 7.08 1mioA1 PHE 330 HE2 -0.77 -0.03 -0.12 -0.04 7.38 6.42 1mioA1 PHE 330 HZ -0.19 -0.04 0.05 -0.04 7.32 7.10 1mioA1 LYS 331 H -0.04 0.25 -0.30 -0.55 8.42 7.78 1mioA1 LYS 331 HA 0.02 0.20 0.46 -0.75 4.32 4.25 1mioA1 LYS 331 HB2 0.08 0.08 0.18 -0.04 1.87 2.16 1mioA1 LYS 331 HB3 0.01 -0.06 0.04 -0.04 1.79 1.74 1mioA1 LYS 331 HG2 0.03 -0.05 -0.11 -0.04 1.46 1.30 1mioA1 LYS 331 HG3 0.08 0.33 0.06 -0.04 1.46 1.89 1mioA1 LYS 331 HD2 0.07 0.03 0.03 -0.04 1.69 1.78 1mioA1 LYS 331 HD3 0.04 -0.07 -0.01 -0.04 1.68 1.60 1mioA1 LYS 331 HE2 0.04 -0.04 -0.04 -0.04 2.99 2.91 1mioA1 LYS 331 HE3 0.06 0.08 -0.14 -0.04 2.99 2.95 1mioA1 GLU 332 H -0.08 0.16 -0.33 -0.55 8.60 7.80 1mioA1 GLU 332 HA -0.02 -0.01 0.31 -0.75 4.29 3.81 1mioA1 GLU 332 HB2 -0.05 0.03 0.17 -0.04 2.09 2.20 1mioA1 GLU 332 HB3 -0.09 0.04 0.03 -0.04 1.99 1.93 1mioA1 GLU 332 HG2 -0.01 -0.02 0.10 -0.04 2.34 2.38 1mioA1 GLU 332 HG3 0.01 -0.01 0.09 -0.04 2.34 2.39 1mioA1 LYS 333 H -0.17 0.25 -0.44 -0.55 8.42 7.51 1mioA1 LYS 333 HA 0.00 0.10 0.74 -0.75 4.32 4.41 1mioA1 LYS 333 HB2 -0.15 0.05 0.02 -0.04 1.87 1.74 1mioA1 LYS 333 HB3 -0.17 -0.03 0.05 -0.04 1.79 1.60 1mioA1 LYS 333 HG2 -0.52 0.22 -0.04 -0.04 1.46 1.08 1mioA1 LYS 333 HG3 -0.49 -0.09 -0.06 -0.04 1.46 0.78 1mioA1 LYS 333 HD2 -0.30 0.02 -0.04 -0.04 1.69 1.33 1mioA1 LYS 333 HD3 -0.13 -0.01 -0.33 -0.04 1.68 1.17 1mioA1 LYS 333 HE2 -0.02 -0.02 -0.05 -0.04 2.99 2.86 1mioA1 LYS 333 HE3 0.09 -0.03 -0.05 -0.04 2.99 2.96 1mioA1 LEU 334 H -0.05 0.38 0.12 -0.55 8.37 8.28 1mioA1 LEU 334 HA 0.05 0.23 1.06 -0.75 4.35 4.93 1mioA1 LEU 334 HB2 -0.05 0.13 0.04 -0.04 1.64 1.72 1mioA1 LEU 334 HB3 0.07 -0.15 -0.05 -0.04 1.64 1.47 1mioA1 LEU 334 HG -0.08 0.02 -0.06 -0.04 1.64 1.48 1mioA1 LEU 334 HD13 -0.25 -0.05 -0.05 -0.04 0.93 0.54 1mioA1 LEU 334 HD23 0.01 0.00 -0.10 -0.04 0.89 0.76 1mioA1 GLN 335 H 0.03 0.48 0.12 -0.55 8.47 8.55 1mioA1 GLN 335 HA 0.06 -0.03 0.26 -0.75 4.36 3.90 1mioA1 GLN 335 HB2 0.04 -0.07 0.15 -0.04 2.15 2.23 1mioA1 GLN 335 HB3 0.05 0.12 0.27 -0.04 2.02 2.43 1mioA1 GLN 335 HG2 0.02 0.21 0.05 -0.04 2.40 2.64 1mioA1 GLN 335 HG3 0.02 -0.04 -0.19 -0.04 2.39 2.15 1mioA1 GLN 335 HE21 0.02 -0.08 -0.02 -0.04 6.97 6.85 1mioA1 GLN 335 HE22 0.03 0.01 0.01 -0.04 7.69 7.70 1mioA1 GLY 336 H 0.03 0.49 0.27 -0.55 8.43 8.67 1mioA1 GLY 336 HA2 0.02 -0.05 0.36 -0.51 4.01 3.83 1mioA1 GLY 336 HA3 0.02 0.14 0.66 -0.51 4.01 4.31 1mioA1 LYS 337 H 0.03 0.30 -0.18 -0.55 8.42 8.02 1mioA1 LYS 337 HA -0.01 0.14 0.87 -0.75 4.32 4.57 1mioA1 LYS 337 HB2 0.03 0.16 0.10 -0.04 1.87 2.11 1mioA1 LYS 337 HB3 -0.01 -0.09 0.07 -0.04 1.79 1.71 1mioA1 LYS 337 HG2 -0.03 0.00 -0.07 -0.04 1.46 1.32 1mioA1 LYS 337 HG3 0.00 0.12 -0.29 -0.04 1.46 1.24 1mioA1 LYS 337 HD2 -0.02 -0.00 0.02 -0.04 1.69 1.64 1mioA1 LYS 337 HD3 -0.09 -0.09 -0.00 -0.04 1.68 1.46 1mioA1 LYS 337 HE2 -0.18 -0.04 0.01 -0.04 2.99 2.73 1mioA1 LYS 337 HE3 -0.10 -0.04 -0.01 -0.04 2.99 2.80 1mioA1 THR 338 H -0.01 0.18 0.26 -0.55 8.28 8.15 1mioA1 THR 338 HA 0.00 0.17 0.68 -0.75 4.39 4.49 1mioA1 THR 338 HB -0.02 -0.09 0.22 -0.04 4.32 4.39 1mioA1 THR 338 HG23 -0.01 0.03 -0.07 -0.04 1.22 1.13 1mioA1 ALA 339 H -0.01 0.62 0.42 -0.55 8.40 8.89 1mioA1 ALA 339 HA 0.01 0.24 0.92 -0.75 4.34 4.76 1mioA1 ALA 339 HB3 0.13 -0.02 -0.19 -0.04 1.41 1.30 1mioA1 CYS 340 H -0.14 0.31 0.26 -0.55 8.50 8.38 1mioA1 CYS 340 HA -0.22 0.22 1.00 -0.75 4.58 4.82 1mioA1 CYS 340 HB2 -1.76 -0.06 0.12 -0.04 2.97 1.23 1mioA1 CYS 340 HB3 -0.80 -0.03 0.05 -0.04 2.97 2.15 1mioA1 LEU 341 H -0.13 0.53 0.35 -0.55 8.37 8.58 1mioA1 LEU 341 HA 0.13 0.23 1.09 -0.75 4.35 5.04 1mioA1 LEU 341 HB2 -0.04 0.01 0.24 -0.04 1.64 1.81 1mioA1 LEU 341 HB3 0.02 -0.16 0.04 -0.04 1.64 1.50 1mioA1 LEU 341 HG -0.05 0.13 0.01 -0.04 1.64 1.68 1mioA1 LEU 341 HD13 -0.13 -0.02 -0.10 -0.04 0.93 0.65 1mioA1 LEU 341 HD23 -0.03 0.01 -0.27 -0.04 0.89 0.56 1mioA1 TYR 342 H 0.34 0.68 0.19 -0.55 8.29 8.95 1mioA1 TYR 342 HA 0.07 0.11 0.45 -0.75 4.56 4.44 1mioA1 TYR 342 HB2 0.25 0.10 0.01 -0.04 3.06 3.38 1mioA1 TYR 342 HB3 0.29 -0.01 0.17 -0.04 2.98 3.39 1mioA1 TYR 342 HD2 0.14 -0.03 -0.09 -0.04 7.15 7.12 1mioA1 TYR 342 HE2 0.14 0.08 -0.11 -0.04 6.85 6.92 1mioA1 VAL 343 H -0.10 0.35 0.11 -0.55 8.24 8.05 1mioA1 VAL 343 HA 0.03 0.19 0.57 -0.75 4.13 4.16 1mioA1 VAL 343 HB 0.04 -0.27 0.08 -0.04 2.12 1.93 1mioA1 VAL 343 HG13 -0.17 -0.03 0.06 -0.04 0.97 0.80 1mioA1 VAL 343 HG23 0.08 0.07 -0.30 -0.04 0.95 0.76 1mioA1 GLY 344 H -0.26 0.12 0.14 -0.55 8.43 7.88 1mioA1 GLY 344 HA2 -0.25 0.11 0.59 -0.51 4.01 3.95 1mioA1 GLY 344 HA3 -0.12 0.07 0.43 -0.51 4.01 3.88 1mioA1 GLY 345 H -0.21 0.10 0.11 -0.55 8.43 7.88 1mioA1 GLY 345 HA2 -1.11 0.20 0.62 -0.51 4.01 3.21 1mioA1 GLY 345 HA3 -0.59 0.07 0.33 -0.51 4.01 3.31 1mioA1 SER 346 H -0.11 -0.07 -0.05 -0.55 8.46 7.68 1mioA1 SER 346 HA -0.06 0.25 0.56 -0.75 4.49 4.48 1mioA1 SER 346 HB2 -0.12 0.06 0.12 -0.04 3.95 3.97 1mioA1 SER 346 HB3 -0.07 -0.17 -0.11 -0.04 3.93 3.54 1mioA1 ARG 347 H 0.05 0.04 0.17 -0.55 8.46 8.17 1mioA1 ARG 347 HA 0.13 0.09 0.25 -0.75 4.34 4.06 1mioA1 ARG 347 HB2 0.05 -0.18 0.17 -0.04 1.90 1.90 1mioA1 ARG 347 HB3 0.23 0.16 0.05 -0.04 1.80 2.20 1mioA1 ARG 347 HG2 0.22 0.06 0.10 -0.04 1.67 2.01 1mioA1 ARG 347 HG3 0.07 -0.17 0.16 -0.04 1.67 1.69 1mioA1 ARG 347 HD2 -0.00 -0.07 0.12 -0.04 3.22 3.22 1mioA1 ARG 347 HD3 0.31 0.24 0.15 -0.04 3.22 3.88 1mioA1 SER 348 H 0.27 -0.07 -0.20 -0.55 8.46 7.92 1mioA1 SER 348 HA 0.02 0.09 0.26 -0.75 4.49 4.10 1mioA1 SER 348 HB2 -0.60 0.09 -0.19 -0.04 3.95 3.21 1mioA1 SER 348 HB3 -0.18 0.12 -0.02 -0.04 3.93 3.81 1mioA1 HIS 349 H 0.32 0.23 -0.41 -0.55 8.41 8.01 1mioA1 HIS 349 HA -0.00 0.21 0.77 -0.75 4.63 4.85 1mioA1 HIS 349 HB2 0.29 -0.07 -0.03 -0.04 3.26 3.41 1mioA1 HIS 349 HB3 0.23 0.11 0.14 -0.04 3.20 3.63 1mioA1 HIS 349 HD2 0.01 -0.01 0.12 -0.04 6.97 7.05 1mioA1 HIS 349 HE1 0.25 0.13 -0.08 -0.04 7.75 8.01 1mioA1 THR 350 H -0.01 0.13 0.02 -0.55 8.28 7.87 1mioA1 THR 350 HA -0.34 0.18 0.45 -0.75 4.39 3.92 1mioA1 THR 350 HB -0.32 -0.03 0.05 -0.04 4.32 3.97 1mioA1 THR 350 HG23 -0.16 0.03 0.00 -0.04 1.22 1.05 1mioA1 TYR 351 H -0.07 0.42 0.01 -0.55 8.29 8.10 1mioA1 TYR 351 HA -0.35 0.03 0.46 -0.75 4.56 3.96 1mioA1 TYR 351 HB2 -0.22 0.09 0.02 -0.04 3.06 2.91 1mioA1 TYR 351 HB3 -0.43 0.05 -0.05 -0.04 2.98 2.51 1mioA1 TYR 351 HD2 -0.43 0.05 0.04 -0.04 7.15 6.77 1mioA1 TYR 351 HE2 -0.10 0.01 0.02 -0.04 6.85 6.74 1mioA1 MET 352 H -0.10 0.20 -0.65 -0.55 8.47 7.38 1mioA1 MET 352 HA -0.10 0.01 0.19 -0.75 4.52 3.86 1mioA1 MET 352 HB2 -0.01 0.07 0.10 -0.04 2.15 2.26 1mioA1 MET 352 HB3 -0.03 0.11 0.07 -0.04 2.03 2.14 1mioA1 MET 352 HG2 -0.03 0.07 -0.09 -0.04 2.63 2.54 1mioA1 MET 352 HG3 -0.06 -0.07 0.04 -0.04 2.56 2.43 1mioA1 MET 352 HE3 -0.05 -0.03 -0.03 -0.04 2.10 1.95 1mioA1 ASN 353 H -0.20 0.25 -0.26 -0.55 8.53 7.77 1mioA1 ASN 353 HA -0.13 0.15 0.49 -0.75 4.76 4.52 1mioA1 ASN 353 HB2 -0.13 0.04 0.12 -0.04 2.88 2.87 1mioA1 ASN 353 HB3 -0.16 0.09 0.16 -0.04 2.79 2.83 1mioA1 ASN 353 HD21 -0.24 0.29 0.44 -0.04 7.03 7.47 1mioA1 ASN 353 HD22 -0.25 0.21 0.21 -0.04 7.74 7.87 1mioA1 MET 354 H -0.33 0.21 -0.09 -0.55 8.47 7.71 1mioA1 MET 354 HA -0.47 -0.09 0.34 -0.75 4.52 3.54 1mioA1 MET 354 HB2 -0.48 -0.14 0.08 -0.04 2.15 1.57 1mioA1 MET 354 HB3 -0.53 0.20 0.17 -0.04 2.03 1.83 1mioA1 MET 354 HG2 -1.28 0.00 -0.06 -0.04 2.63 1.25 1mioA1 MET 354 HG3 -1.15 0.06 -0.11 -0.04 2.56 1.32 1mioA1 MET 354 HE3 -0.45 -0.01 0.07 -0.04 2.10 1.67 1mioA1 LEU 355 H -0.30 0.45 -0.22 -0.55 8.37 7.76 1mioA1 LEU 355 HA -0.18 0.03 0.47 -0.75 4.35 3.92 1mioA1 LEU 355 HB2 -0.11 0.08 0.03 -0.04 1.64 1.59 1mioA1 LEU 355 HB3 -0.01 0.21 -0.11 -0.04 1.64 1.69 1mioA1 LEU 355 HG 0.05 0.01 -0.20 -0.04 1.64 1.45 1mioA1 LEU 355 HD13 0.27 -0.01 -0.12 -0.04 0.93 1.03 1mioA1 LEU 355 HD23 -0.23 -0.01 -0.24 -0.04 0.89 0.36 1mioA1 LYS 356 H -0.17 0.33 -0.19 -0.55 8.42 7.84 1mioA1 LYS 356 HA -0.04 0.14 0.24 -0.75 4.32 3.91 1mioA1 LYS 356 HB2 -0.10 0.07 0.26 -0.04 1.87 2.05 1mioA1 LYS 356 HB3 -0.06 -0.03 0.03 -0.04 1.79 1.68 1mioA1 LYS 356 HG2 -0.10 -0.04 0.08 -0.04 1.46 1.36 1mioA1 LYS 356 HG3 -0.11 0.19 0.20 -0.04 1.46 1.70 1mioA1 LYS 356 HD2 -0.09 -0.11 0.08 -0.04 1.69 1.52 1mioA1 LYS 356 HD3 -0.07 -0.02 0.02 -0.04 1.68 1.57 1mioA1 LYS 356 HE2 -0.10 0.00 -0.00 -0.04 2.99 2.85 1mioA1 LYS 356 HE3 -0.08 -0.08 -0.17 -0.04 2.99 2.63 1mioA1 SER 357 H -0.16 0.52 0.06 -0.55 8.46 8.33 1mioA1 SER 357 HA 0.01 0.01 0.43 -0.75 4.49 4.18 1mioA1 SER 357 HB2 -0.30 0.19 0.11 -0.04 3.95 3.91 1mioA1 SER 357 HB3 0.02 -0.04 0.07 -0.04 3.93 3.93 1mioA1 PHE 358 H -0.00 0.33 -0.54 -0.55 8.34 7.57 1mioA1 PHE 358 HA 0.06 0.01 0.47 -0.75 4.62 4.41 1mioA1 PHE 358 HB2 0.05 0.23 0.15 -0.04 3.15 3.54 1mioA1 PHE 358 HB3 0.05 -0.02 -0.08 -0.04 3.06 2.97 1mioA1 PHE 358 HD2 0.13 -0.00 -0.15 -0.04 7.28 7.22 1mioA1 PHE 358 HE2 0.35 -0.09 -0.07 -0.04 7.38 7.54 1mioA1 PHE 358 HZ 0.01 -0.06 0.01 -0.04 7.32 7.24 1mioA1 GLY 359 H 0.11 0.28 0.02 -0.55 8.43 8.28 1mioA1 GLY 359 HA2 0.05 0.04 0.30 -0.51 4.01 3.90 1mioA1 GLY 359 HA3 0.07 0.10 0.84 -0.51 4.01 4.52 1mioA1 VAL 360 H 0.13 0.28 -0.00 -0.55 8.24 8.09 1mioA1 VAL 360 HA 0.06 0.26 0.66 -0.75 4.13 4.35 1mioA1 VAL 360 HB 0.13 -0.18 0.01 -0.04 2.12 2.04 1mioA1 VAL 360 HG13 0.11 -0.03 -0.31 -0.04 0.97 0.69 1mioA1 VAL 360 HG23 0.22 0.06 -0.10 -0.04 0.95 1.09 1mioA1 ASP 361 H 0.01 0.59 0.30 -0.55 8.40 8.75 1mioA1 ASP 361 HA -0.07 0.15 0.97 -0.75 4.63 4.93 1mioA1 ASP 361 HB2 -0.01 -0.01 0.07 -0.04 2.71 2.72 1mioA1 ASP 361 HB3 -0.12 0.09 -0.03 -0.04 2.70 2.60 1mioA1 SER 362 H -0.11 0.14 0.15 -0.55 8.46 8.09 1mioA1 SER 362 HA -0.03 0.15 0.86 -0.75 4.49 4.71 1mioA1 SER 362 HB2 -0.07 0.00 0.10 -0.04 3.95 3.94 1mioA1 SER 362 HB3 -0.05 -0.03 0.03 -0.04 3.93 3.84 1mioA1 LEU 363 H -0.04 0.47 0.43 -0.55 8.37 8.68 1mioA1 LEU 363 HA 0.06 0.16 0.86 -0.75 4.35 4.69 1mioA1 LEU 363 HB2 -0.03 0.14 0.20 -0.04 1.64 1.91 1mioA1 LEU 363 HB3 -0.01 -0.02 -0.01 -0.04 1.64 1.56 1mioA1 LEU 363 HG 0.01 0.05 -0.01 -0.04 1.64 1.65 1mioA1 LEU 363 HD13 0.05 0.00 0.05 -0.04 0.93 0.99 1mioA1 LEU 363 HD23 0.05 0.05 -0.22 -0.04 0.89 0.72 1mioA1 VAL 364 H -0.07 0.23 0.42 -0.55 8.24 8.27 1mioA1 VAL 364 HA -0.02 0.18 0.88 -0.75 4.13 4.42 1mioA1 VAL 364 HB -0.12 -0.08 0.09 -0.04 2.12 1.98 1mioA1 VAL 364 HG13 0.01 -0.02 -0.12 -0.04 0.97 0.80 1mioA1 VAL 364 HG23 -0.01 0.02 -0.12 -0.04 0.95 0.80 1mioA1 ALA 365 H -0.01 0.61 0.24 -0.55 8.40 8.68 1mioA1 ALA 365 HA -0.03 0.27 0.57 -0.75 4.34 4.39 1mioA1 ALA 365 HB3 -0.09 0.00 0.10 -0.04 1.41 1.38 1mioA1 GLY 366 H 0.06 0.51 0.39 -0.55 8.43 8.85 1mioA1 GLY 366 HA2 0.13 0.09 0.79 -0.51 4.01 4.51 1mioA1 GLY 366 HA3 0.29 0.35 0.51 -0.51 4.01 4.64 1mioA1 PHE 367 H 0.44 0.48 0.37 -0.55 8.34 9.08 1mioA1 PHE 367 HA -0.24 0.09 0.87 -0.75 4.62 4.59 1mioA1 PHE 367 HB2 -0.08 0.05 0.02 -0.04 3.15 3.11 1mioA1 PHE 367 HB3 -0.28 -0.01 0.15 -0.04 3.06 2.88 1mioA1 PHE 367 HD2 -0.76 -0.02 -0.28 -0.04 7.28 6.18 1mioA1 PHE 367 HE2 -0.23 -0.10 -0.35 -0.04 7.38 6.66 1mioA1 PHE 367 HZ -0.01 0.13 -0.18 -0.04 7.32 7.22 1mioA1 GLU 368 H -0.29 0.56 0.49 -0.55 8.60 8.82 1mioA1 GLU 368 HA 0.21 0.08 0.64 -0.75 4.29 4.47 1mioA1 GLU 368 HB2 -0.29 0.22 0.25 -0.04 2.09 2.23 1mioA1 GLU 368 HB3 -0.21 -0.21 0.30 -0.04 1.99 1.83 1mioA1 GLU 368 HG2 0.28 -0.11 -0.05 -0.04 2.34 2.43 1mioA1 GLU 368 HG3 0.21 0.03 -0.04 -0.04 2.34 2.50 1mioA1 PHE 369 H -0.79 0.13 0.12 -0.55 8.34 7.24 1mioA1 PHE 369 HA 0.15 0.34 0.83 -0.75 4.62 5.19 1mioA1 PHE 369 HB2 0.11 -0.06 0.09 -0.04 3.15 3.25 1mioA1 PHE 369 HB3 0.09 -0.01 -0.05 -0.04 3.06 3.05 1mioA1 PHE 369 HD2 0.12 0.05 -0.18 -0.04 7.28 7.22 1mioA1 PHE 369 HE2 0.11 0.04 -0.11 -0.04 7.38 7.38 1mioA1 PHE 369 HZ 0.08 -0.04 -0.11 -0.04 7.32 7.21 1mioA1 ALA 370 H -0.19 0.06 -0.09 -0.55 8.40 7.63 1mioA1 ALA 370 HA 0.10 0.06 0.41 -0.75 4.34 4.15 1mioA1 ALA 370 HB3 -0.58 -0.02 0.10 -0.04 1.41 0.87 1mioA1 HIS 371 H 0.15 0.07 0.11 -0.55 8.41 8.19 1mioA1 HIS 371 HA 0.20 0.27 0.85 -0.75 4.63 5.19 1mioA1 HIS 371 HB2 0.12 -0.08 -0.05 -0.04 3.26 3.20 1mioA1 HIS 371 HB3 0.13 0.00 0.10 -0.04 3.20 3.39 1mioA1 HIS 371 HD2 0.15 0.08 -0.05 -0.04 6.97 7.11 1mioA1 HIS 371 HE1 0.23 -0.12 -0.05 -0.04 7.75 7.77 1mioA1 ARG 372 H 0.25 0.28 0.06 -0.55 8.46 8.49 1mioA1 ARG 372 HA 0.26 0.08 0.43 -0.75 4.34 4.36 1mioA1 ARG 372 HB2 0.14 0.01 0.13 -0.04 1.90 2.14 1mioA1 ARG 372 HB3 0.10 0.11 -0.04 -0.04 1.80 1.93 1mioA1 ARG 372 HG2 0.07 0.04 0.09 -0.04 1.67 1.83 1mioA1 ARG 372 HG3 0.10 -0.12 0.04 -0.04 1.67 1.65 1mioA1 ARG 372 HD2 0.01 0.19 0.12 -0.04 3.22 3.50 1mioA1 ARG 372 HD3 0.05 -0.01 0.07 -0.04 3.22 3.29 1mioA1 ASP 373 H 0.15 0.15 -0.16 -0.55 8.40 7.99 1mioA1 ASP 373 HA 0.03 0.33 0.19 -0.75 4.63 4.43 1mioA1 ASP 373 HB2 0.05 -0.00 -0.12 -0.04 2.71 2.59 1mioA1 ASP 373 HB3 0.09 0.13 -0.03 -0.04 2.70 2.84 1mioA1 ASP 374 H 0.08 0.28 -0.69 -0.55 8.40 7.52 1mioA1 ASP 374 HA 0.13 0.16 0.43 -0.75 4.63 4.60 1mioA1 ASP 374 HB2 -0.17 0.12 0.08 -0.04 2.71 2.69 1mioA1 ASP 374 HB3 -0.32 -0.01 -0.06 -0.04 2.70 2.27 1mioA1 TYR 375 H 0.12 0.35 0.05 -0.55 8.29 8.26 1mioA1 TYR 375 HA 0.14 0.02 0.63 -0.75 4.56 4.60 1mioA1 TYR 375 HB2 0.07 0.05 0.11 -0.04 3.06 3.24 1mioA1 TYR 375 HB3 0.04 0.11 -0.07 -0.04 2.98 3.02 1mioA1 TYR 375 HD2 0.10 0.07 -0.18 -0.04 7.15 7.09 1mioA1 TYR 375 HE2 0.13 -0.01 -0.19 -0.04 6.85 6.74 1mioA1 GLU 376 H 0.15 0.57 0.05 -0.55 8.60 8.82 1mioA1 GLU 376 HA 0.00 0.14 0.60 -0.75 4.29 4.28 1mioA1 GLU 376 HB2 0.06 0.14 0.08 -0.04 2.09 2.34 1mioA1 GLU 376 HB3 0.01 0.01 -0.01 -0.04 1.99 1.96 1mioA1 GLU 376 HG2 0.01 0.14 -0.12 -0.04 2.34 2.33 1mioA1 GLU 376 HG3 0.06 -0.12 -0.12 -0.04 2.34 2.12 1mioA1 GLY 377 H -0.12 0.29 -0.24 -0.55 8.43 7.81 1mioA1 GLY 377 HA2 -0.28 0.01 0.59 -0.51 4.01 3.82 1mioA1 GLY 377 HA3 -0.11 0.25 0.90 -0.51 4.01 4.54 1mioA1 ARG 378 H -0.08 0.85 0.38 -0.55 8.46 9.06 1mioA1 ARG 378 HA 0.07 -0.07 0.40 -0.75 4.34 3.99 1mioA1 ARG 378 HB2 0.09 -0.03 0.25 -0.04 1.90 2.17 1mioA1 ARG 378 HB3 0.15 0.09 0.04 -0.04 1.80 2.04 1mioA1 ARG 378 HG2 0.28 -0.07 0.03 -0.04 1.67 1.86 1mioA1 ARG 378 HG3 0.27 0.01 0.06 -0.04 1.67 1.97 1mioA1 ARG 378 HD2 0.69 -0.04 -0.17 -0.04 3.22 3.67 1mioA1 ARG 378 HD3 0.32 0.10 -0.01 -0.04 3.22 3.59 1mioA1 GLU 379 H -0.01 0.09 -0.35 -0.55 8.60 7.78 1mioA1 GLU 379 HA 0.02 0.11 0.54 -0.75 4.29 4.21 1mioA1 GLU 379 HB2 -0.00 0.05 -0.01 -0.04 2.09 2.09 1mioA1 GLU 379 HB3 -0.01 0.01 0.06 -0.04 1.99 2.01 1mioA1 GLU 379 HG2 -0.01 -0.10 -0.14 -0.04 2.34 2.05 1mioA1 GLU 379 HG3 -0.01 0.07 -0.12 -0.04 2.34 2.23 1mioA1 VAL 380 H 0.02 0.39 -0.24 -0.55 8.24 7.87 1mioA1 VAL 380 HA 0.02 0.11 0.40 -0.75 4.13 3.91 1mioA1 VAL 380 HB 0.03 -0.03 0.03 -0.04 2.12 2.12 1mioA1 VAL 380 HG13 0.01 0.03 -0.07 -0.04 0.97 0.90 1mioA1 VAL 380 HG23 0.05 0.07 -0.28 -0.04 0.95 0.74 1mioA1 ILE 381 H 0.06 0.36 -0.66 -0.55 8.25 7.46 1mioA1 ILE 381 HA 0.08 -0.10 0.40 -0.75 4.18 3.81 1mioA1 ILE 381 HB 0.08 0.44 0.18 -0.04 1.89 2.55 1mioA1 ILE 381 HG12 0.11 -0.12 0.04 -0.04 1.49 1.48 1mioA1 ILE 381 HG13 0.11 -0.05 0.07 -0.04 1.21 1.30 1mioA1 ILE 381 HG23 0.09 -0.00 -0.11 -0.04 0.93 0.86 1mioA1 ILE 381 HD13 0.12 -0.02 -0.00 -0.04 0.88 0.94 1mioA1 PRO 382 HA 0.04 0.10 0.69 -0.51 4.44 4.77 1mioA1 PRO 382 HB2 0.03 0.02 -0.06 -0.04 2.28 2.22 1mioA1 PRO 382 HB3 0.03 -0.00 0.09 -0.04 2.02 2.10 1mioA1 PRO 382 HG2 0.03 0.05 0.11 -0.04 2.03 2.18 1mioA1 PRO 382 HG3 0.03 0.00 0.08 -0.04 2.03 2.10 1mioA1 PRO 382 HD2 0.05 0.15 0.04 -0.04 3.68 3.88 1mioA1 PRO 382 HD3 0.05 0.06 0.01 -0.04 3.65 3.73 1mioA1 THR 383 H 0.03 0.14 -0.20 -0.55 8.28 7.70 1mioA1 THR 383 HA 0.02 0.05 0.50 -0.75 4.39 4.21 1mioA1 THR 383 HB 0.03 -0.01 0.02 -0.04 4.32 4.32 1mioA1 THR 383 HG23 0.01 -0.02 0.04 -0.04 1.22 1.21 1mioA1 ILE 384 H 0.06 0.25 -0.19 -0.55 8.25 7.82 1mioA1 ILE 384 HA 0.04 0.07 0.47 -0.75 4.18 4.01 1mioA1 ILE 384 HB 0.08 -0.02 -0.18 -0.04 1.89 1.72 1mioA1 ILE 384 HG12 0.08 0.32 0.16 -0.04 1.49 2.00 1mioA1 ILE 384 HG13 0.12 -0.11 -0.01 -0.04 1.21 1.17 1mioA1 ILE 384 HG23 0.07 -0.04 0.03 -0.04 0.93 0.96 1mioA1 ILE 384 HD13 0.10 -0.06 -0.21 -0.04 0.88 0.67 1mioA1 LYS 385 H 0.04 0.18 0.23 -0.55 8.42 8.31 1mioA1 LYS 385 HA 0.04 0.18 0.72 -0.75 4.32 4.50 1mioA1 LYS 385 HB2 0.02 0.04 -0.01 -0.04 1.87 1.89 1mioA1 LYS 385 HB3 0.02 -0.01 -0.04 -0.04 1.79 1.72 1mioA1 LYS 385 HG2 0.03 0.16 0.13 -0.04 1.46 1.74 1mioA1 LYS 385 HG3 0.02 0.01 -0.01 -0.04 1.46 1.45 1mioA1 LYS 385 HD2 0.03 -0.13 0.12 -0.04 1.69 1.67 1mioA1 LYS 385 HD3 0.02 0.01 0.05 -0.04 1.68 1.73 1mioA1 LYS 385 HE2 0.02 0.00 0.01 -0.04 2.99 2.98 1mioA1 LYS 385 HE3 0.02 0.00 -0.02 -0.04 2.99 2.95 1mioA1 ILE 386 H 0.03 0.18 0.14 -0.55 8.25 8.05 1mioA1 ILE 386 HA 0.03 0.22 1.10 -0.75 4.18 4.78 1mioA1 ILE 386 HB 0.05 0.01 -0.18 -0.04 1.89 1.73 1mioA1 ILE 386 HG12 0.04 -0.04 -0.06 -0.04 1.49 1.39 1mioA1 ILE 386 HG13 0.02 -0.08 -0.05 -0.04 1.21 1.06 1mioA1 ILE 386 HG23 0.03 0.02 -0.02 -0.04 0.93 0.92 1mioA1 ILE 386 HD13 0.01 -0.01 -0.03 -0.04 0.88 0.80 1mioA1 ASP 387 H 0.02 0.24 0.08 -0.55 8.40 8.19 1mioA1 ASP 387 HA 0.02 -0.24 0.22 -0.75 4.63 3.87 1mioA1 ASP 387 HB2 0.02 0.30 0.51 -0.04 2.71 3.49 1mioA1 ASP 387 HB3 0.02 0.04 -0.06 -0.04 2.70 2.65 1mioA1 ALA 388 H 0.02 -0.12 0.01 -0.55 8.40 7.76 1mioA1 ALA 388 HA 0.03 0.23 0.79 -0.75 4.34 4.64 1mioA1 ALA 388 HB3 0.03 -0.00 -0.02 -0.04 1.41 1.37 1mioA1 ASP 389 H 0.03 -0.04 0.21 -0.55 8.40 8.05 1mioA1 ASP 389 HA 0.02 0.15 0.02 -0.75 4.63 4.06 1mioA1 ASP 389 HB2 0.03 -0.05 0.24 -0.04 2.71 2.89 1mioA1 ASP 389 HB3 0.03 0.03 0.12 -0.04 2.70 2.84 1mioA1 SER 390 H 0.03 0.28 0.15 -0.55 8.46 8.37 1mioA1 SER 390 HA 0.03 0.15 0.64 -0.75 4.49 4.56 1mioA1 SER 390 HB2 0.02 0.11 -0.04 -0.04 3.95 4.00 1mioA1 SER 390 HB3 0.02 -0.70 -0.05 -0.04 3.93 3.16 1mioA1 LYS 391 H 0.01 0.13 0.02 -0.55 8.42 8.02 1mioA1 LYS 391 HA -0.01 -0.03 0.75 -0.75 4.32 4.27 1mioA1 LYS 391 HB2 0.01 -0.12 0.03 -0.04 1.87 1.75 1mioA1 LYS 391 HB3 0.00 0.15 0.09 -0.04 1.79 1.99 1mioA1 LYS 391 HG2 -0.04 -0.07 -0.06 -0.04 1.46 1.25 1mioA1 LYS 391 HG3 0.00 -0.00 -0.06 -0.04 1.46 1.36 1mioA1 LYS 391 HD2 -0.00 0.06 -0.05 -0.04 1.69 1.65 1mioA1 LYS 391 HD3 -0.04 -0.03 -0.26 -0.04 1.68 1.30 1mioA1 LYS 391 HE2 -0.10 0.17 -0.03 -0.04 2.99 2.99 1mioA1 LYS 391 HE3 -0.21 -0.09 0.02 -0.04 2.99 2.67 1mioA1 ASN 392 H -0.01 0.26 0.15 -0.55 8.53 8.39 1mioA1 ASN 392 HA -0.01 0.21 0.69 -0.75 4.76 4.91 1mioA1 ASN 392 HB2 0.02 -0.03 0.17 -0.04 2.88 3.00 1mioA1 ASN 392 HB3 0.01 0.02 0.17 -0.04 2.79 2.95 1mioA1 ASN 392 HD21 0.02 0.02 -0.03 -0.04 7.03 7.00 1mioA1 ASN 392 HD22 0.01 -0.01 0.02 -0.04 7.74 7.72 1mioA1 ILE 393 H -0.07 0.19 -0.23 -0.55 8.25 7.60 1mioA1 ILE 393 HA -0.08 0.21 0.89 -0.75 4.18 4.44 1mioA1 ILE 393 HB -0.31 0.03 0.06 -0.04 1.89 1.63 1mioA1 ILE 393 HG12 -0.07 0.03 -0.03 -0.04 1.49 1.38 1mioA1 ILE 393 HG13 -0.06 -0.16 -0.05 -0.04 1.21 0.90 1mioA1 ILE 393 HG23 -0.18 0.03 0.01 -0.04 0.93 0.75 1mioA1 ILE 393 HD13 -0.07 -0.01 -0.02 -0.04 0.88 0.74 1mioA1 PRO 394 HA -0.01 -0.02 0.45 -0.51 4.44 4.35 1mioA1 PRO 394 HB2 0.00 -0.05 0.05 -0.04 2.28 2.24 1mioA1 PRO 394 HB3 0.01 0.07 -0.04 -0.04 2.02 2.02 1mioA1 PRO 394 HG2 -0.01 0.01 0.08 -0.04 2.03 2.06 1mioA1 PRO 394 HG3 -0.01 0.08 0.05 -0.04 2.03 2.10 1mioA1 PRO 394 HD2 -0.04 0.06 0.27 -0.04 3.68 3.92 1mioA1 PRO 394 HD3 -0.03 0.23 -0.10 -0.04 3.65 3.71 1mioA1 GLU 395 H 0.01 0.19 0.11 -0.55 8.60 8.36 1mioA1 GLU 395 HA 0.20 0.07 0.69 -0.75 4.29 4.50 1mioA1 GLU 395 HB2 0.02 0.04 0.11 -0.04 2.09 2.23 1mioA1 GLU 395 HB3 0.04 -0.03 0.22 -0.04 1.99 2.18 1mioA1 GLU 395 HG2 0.06 -0.01 0.02 -0.04 2.34 2.37 1mioA1 GLU 395 HG3 0.09 0.13 -0.04 -0.04 2.34 2.47 1mioA1 ILE 396 H 0.15 0.13 -0.05 -0.55 8.25 7.93 1mioA1 ILE 396 HA 0.04 0.10 0.61 -0.75 4.18 4.18 1mioA1 ILE 396 HB 0.05 -0.06 -0.02 -0.04 1.89 1.82 1mioA1 ILE 396 HG12 0.01 -0.01 -0.05 -0.04 1.49 1.40 1mioA1 ILE 396 HG13 0.02 0.11 -0.04 -0.04 1.21 1.25 1mioA1 ILE 396 HG23 0.03 0.00 -0.22 -0.04 0.93 0.70 1mioA1 ILE 396 HD13 0.01 0.00 0.00 -0.04 0.88 0.86 1mioA1 THR 397 H 0.02 0.29 0.15 -0.55 8.28 8.19 1mioA1 THR 397 HA 0.03 0.05 0.62 -0.75 4.39 4.34 1mioA1 THR 397 HB 0.03 0.07 -0.53 -0.04 4.32 3.86 1mioA1 THR 397 HG23 0.01 -0.01 -0.01 -0.04 1.22 1.18 1mioA1 VAL 398 H 0.01 0.21 0.12 -0.55 8.24 8.03 1mioA1 VAL 398 HA -0.01 0.20 0.91 -0.75 4.13 4.47 1mioA1 VAL 398 HB -0.03 0.13 -0.22 -0.04 2.12 1.95 1mioA1 VAL 398 HG13 -0.02 0.01 -0.05 -0.04 0.97 0.86 1mioA1 VAL 398 HG23 0.01 -0.01 -0.14 -0.04 0.95 0.76 1mioA1 THR 399 H -0.03 0.20 0.13 -0.55 8.28 8.03 1mioA1 THR 399 HA -0.03 0.21 0.83 -0.75 4.39 4.64 1mioA1 THR 399 HB -0.04 0.11 0.04 -0.04 4.32 4.39 1mioA1 THR 399 HG23 -0.02 -0.02 -0.13 -0.04 1.22 1.01 1mioA1 PRO 400 HA -0.03 0.13 0.75 -0.51 4.44 4.78 1mioA1 PRO 400 HB2 -0.24 -0.12 -0.03 -0.04 2.28 1.85 1mioA1 PRO 400 HB3 -0.10 0.20 0.11 -0.04 2.02 2.19 1mioA1 PRO 400 HG2 -0.15 -0.05 0.10 -0.04 2.03 1.89 1mioA1 PRO 400 HG3 -0.20 0.02 0.09 -0.04 2.03 1.90 1mioA1 PRO 400 HD2 -0.06 0.01 0.27 -0.04 3.68 3.86 1mioA1 PRO 400 HD3 -0.05 0.21 0.18 -0.04 3.65 3.95 1mioA1 ASP 401 H 0.02 0.66 0.31 -0.55 8.40 8.85 1mioA1 ASP 401 HA -0.04 0.15 0.04 -0.75 4.63 4.03 1mioA1 ASP 401 HB2 -0.07 0.34 0.14 -0.04 2.71 3.07 1mioA1 ASP 401 HB3 0.07 -0.54 0.08 -0.04 2.70 2.27 1mioA1 GLU 402 H 0.00 0.16 -0.31 -0.55 8.60 7.91 1mioA1 GLU 402 HA -0.00 0.03 0.37 -0.75 4.29 3.93 1mioA1 GLU 402 HB2 0.00 0.25 0.35 -0.04 2.09 2.66 1mioA1 GLU 402 HB3 0.01 -0.01 0.18 -0.04 1.99 2.12 1mioA1 GLU 402 HG2 -0.02 0.05 0.00 -0.04 2.34 2.33 1mioA1 GLU 402 HG3 -0.01 -0.02 0.04 -0.04 2.34 2.31 1mioA1 GLN 403 H 0.03 0.55 0.12 -0.55 8.47 8.62 1mioA1 GLN 403 HA 0.04 0.11 0.45 -0.75 4.36 4.20 1mioA1 GLN 403 HB2 0.03 0.05 0.07 -0.04 2.15 2.27 1mioA1 GLN 403 HB3 0.03 0.00 0.13 -0.04 2.02 2.14 1mioA1 GLN 403 HG2 0.02 0.03 0.10 -0.04 2.40 2.51 1mioA1 GLN 403 HG3 0.02 -0.01 0.05 -0.04 2.39 2.41 1mioA1 GLN 403 HE21 0.01 -0.03 -0.01 -0.04 6.97 6.91 1mioA1 GLN 403 HE22 0.02 0.01 0.02 -0.04 7.69 7.69 1mioA1 LYS 404 H 0.08 -0.11 -0.38 -0.55 8.42 7.45 1mioA1 LYS 404 HA 0.09 0.29 0.87 -0.75 4.32 4.82 1mioA1 LYS 404 HB2 0.11 -0.05 -0.19 -0.04 1.87 1.70 1mioA1 LYS 404 HB3 0.19 -0.03 0.03 -0.04 1.79 1.95 1mioA1 LYS 404 HG2 0.18 0.02 0.12 -0.04 1.46 1.74 1mioA1 LYS 404 HG3 0.09 0.02 0.07 -0.04 1.46 1.60 1mioA1 LYS 404 HD2 0.14 -0.02 -0.00 -0.04 1.69 1.77 1mioA1 LYS 404 HD3 0.36 -0.02 0.02 -0.04 1.68 1.99 1mioA1 LYS 404 HE2 -0.00 -0.01 -0.02 -0.04 2.99 2.92 1mioA1 LYS 404 HE3 0.04 -0.01 -0.01 -0.04 2.99 2.96 1mioA1 TYR 405 H 0.19 -0.08 -0.15 -0.55 8.29 7.70 1mioA1 TYR 405 HA 0.08 0.14 0.64 -0.75 4.56 4.66 1mioA1 TYR 405 HB2 -0.02 -0.07 0.07 -0.04 3.06 3.00 1mioA1 TYR 405 HB3 0.01 -0.05 0.02 -0.04 2.98 2.91 1mioA1 TYR 405 HD2 0.00 -0.00 -0.50 -0.04 7.15 6.61 1mioA1 TYR 405 HE2 0.01 -0.03 -0.19 -0.04 6.85 6.61 1mioA1 ARG 406 H -0.51 0.69 0.14 -0.55 8.46 8.23 1mioA1 ARG 406 HA -0.01 0.05 0.37 -0.75 4.34 4.00 1mioA1 ARG 406 HB2 -0.06 0.04 -0.28 -0.04 1.90 1.55 1mioA1 ARG 406 HB3 -0.01 -0.01 0.04 -0.04 1.80 1.77 1mioA1 ARG 406 HG2 -0.02 -0.07 -0.10 -0.04 1.67 1.44 1mioA1 ARG 406 HG3 -0.02 0.11 -0.28 -0.04 1.67 1.43 1mioA1 ARG 406 HD2 -0.09 0.40 0.18 -0.04 3.22 3.66 1mioA1 ARG 406 HD3 -0.10 -0.10 -0.11 -0.04 3.22 2.87 1mioA1 VAL 407 H -0.01 0.13 0.03 -0.55 8.24 7.85 1mioA1 VAL 407 HA -0.06 0.08 0.61 -0.75 4.13 4.01 1mioA1 VAL 407 HB 0.04 -0.04 0.14 -0.04 2.12 2.21 1mioA1 VAL 407 HG13 0.00 0.05 -0.30 -0.04 0.97 0.69 1mioA1 VAL 407 HG23 0.08 0.00 0.03 -0.04 0.95 1.02 1mioA1 VAL 408 H -0.09 0.32 0.24 -0.55 8.24 8.16 1mioA1 VAL 408 HA -0.05 0.06 0.62 -0.75 4.13 4.00 1mioA1 VAL 408 HB -0.07 -0.04 0.32 -0.04 2.12 2.29 1mioA1 VAL 408 HG13 -0.09 0.03 0.03 -0.04 0.97 0.90 1mioA1 VAL 408 HG23 -0.07 0.07 0.02 -0.04 0.95 0.93 1mioA1 ILE 409 H -0.06 0.12 0.19 -0.55 8.25 7.96 1mioA1 ILE 409 HA -0.05 0.18 0.77 -0.75 4.18 4.33 1mioA1 ILE 409 HB -0.05 -0.08 0.18 -0.04 1.89 1.91 1mioA1 ILE 409 HG12 -0.10 0.15 -0.00 -0.04 1.49 1.49 1mioA1 ILE 409 HG13 -0.10 -0.04 -0.01 -0.04 1.21 1.02 1mioA1 ILE 409 HG23 -0.04 0.06 0.06 -0.04 0.93 0.97 1mioA1 ILE 409 HD13 -0.10 -0.02 0.00 -0.04 0.88 0.72 1mioA1 PRO 410 HA 0.00 0.12 0.63 -0.51 4.44 4.69 1mioA1 PRO 410 HB2 -0.00 -0.07 0.08 -0.04 2.28 2.25 1mioA1 PRO 410 HB3 0.00 0.12 0.15 -0.04 2.02 2.24 1mioA1 PRO 410 HG2 -0.01 -0.16 0.08 -0.04 2.03 1.89 1mioA1 PRO 410 HG3 -0.01 0.10 0.09 -0.04 2.03 2.17 1mioA1 PRO 410 HD2 -0.02 0.16 0.30 -0.04 3.68 4.08 1mioA1 PRO 410 HD3 -0.01 0.24 0.07 -0.04 3.65 3.90 1mioA1 GLU 411 H 0.00 0.19 0.10 -0.55 8.60 8.35 1mioA1 GLU 411 HA -0.01 0.08 0.36 -0.75 4.29 3.96 1mioA1 GLU 411 HB2 0.00 0.05 0.16 -0.04 2.09 2.26 1mioA1 GLU 411 HB3 -0.00 0.03 0.03 -0.04 1.99 2.01 1mioA1 GLU 411 HG2 -0.00 0.05 0.05 -0.04 2.34 2.40 1mioA1 GLU 411 HG3 -0.01 -0.04 0.09 -0.04 2.34 2.35 1mioA1 ASP 412 H -0.01 0.09 -0.87 -0.55 8.40 7.06 1mioA1 ASP 412 HA -0.01 -0.00 0.41 -0.75 4.63 4.27 1mioA1 ASP 412 HB2 -0.01 -0.03 0.07 -0.04 2.71 2.69 1mioA1 ASP 412 HB3 -0.02 0.10 0.03 -0.04 2.70 2.77 1mioA1 LYS 413 H -0.03 0.53 -0.18 -0.55 8.42 8.19 1mioA1 LYS 413 HA -0.04 0.05 0.36 -0.75 4.32 3.94 1mioA1 LYS 413 HB2 -0.05 0.01 0.02 -0.04 1.87 1.81 1mioA1 LYS 413 HB3 -0.04 0.08 0.07 -0.04 1.79 1.86 1mioA1 LYS 413 HG2 -0.02 -0.15 0.02 -0.04 1.46 1.27 1mioA1 LYS 413 HG3 -0.03 0.01 -0.04 -0.04 1.46 1.37 1mioA1 LYS 413 HD2 -0.01 0.24 -0.51 -0.04 1.69 1.36 1mioA1 LYS 413 HD3 -0.00 -0.07 -0.13 -0.04 1.68 1.44 1mioA1 LYS 413 HE2 -0.01 -0.04 -0.02 -0.04 2.99 2.87 1mioA1 LYS 413 HE3 -0.03 -0.03 0.02 -0.04 2.99 2.91 1mioA1 VAL 414 H -0.02 0.45 -0.15 -0.55 8.24 7.96 1mioA1 VAL 414 HA -0.03 0.01 0.19 -0.75 4.13 3.54 1mioA1 VAL 414 HB -0.02 -0.02 0.10 -0.04 2.12 2.14 1mioA1 VAL 414 HG13 -0.01 0.03 -0.07 -0.04 0.97 0.88 1mioA1 VAL 414 HG23 -0.02 0.00 0.01 -0.04 0.95 0.90 1mioA1 GLU 415 H -0.02 0.29 -0.28 -0.55 8.60 8.04 1mioA1 GLU 415 HA -0.01 -0.00 0.45 -0.75 4.29 3.97 1mioA1 GLU 415 HB2 -0.01 -0.09 0.20 -0.04 2.09 2.15 1mioA1 GLU 415 HB3 -0.02 0.20 0.23 -0.04 1.99 2.35 1mioA1 GLU 415 HG2 -0.01 0.01 0.02 -0.04 2.34 2.32 1mioA1 GLU 415 HG3 -0.01 -0.05 -0.01 -0.04 2.34 2.22 1mioA1 GLU 416 H -0.03 0.55 -0.03 -0.55 8.60 8.55 1mioA1 GLU 416 HA -0.02 0.02 0.26 -0.75 4.29 3.80 1mioA1 GLU 416 HB2 -0.04 0.11 0.09 -0.04 2.09 2.20 1mioA1 GLU 416 HB3 -0.03 -0.04 0.04 -0.04 1.99 1.91 1mioA1 GLU 416 HG2 -0.02 -0.13 0.03 -0.04 2.34 2.18 1mioA1 GLU 416 HG3 -0.03 0.02 -0.08 -0.04 2.34 2.20 1mioA1 LEU 417 H -0.04 0.38 -0.06 -0.55 8.37 8.10 1mioA1 LEU 417 HA -0.05 0.16 0.40 -0.75 4.35 4.10 1mioA1 LEU 417 HB2 -0.04 -0.03 0.01 -0.04 1.64 1.54 1mioA1 LEU 417 HB3 -0.05 -0.04 0.00 -0.04 1.64 1.52 1mioA1 LEU 417 HG -0.09 0.10 0.03 -0.04 1.64 1.64 1mioA1 LEU 417 HD13 -0.07 0.05 -0.18 -0.04 0.93 0.70 1mioA1 LEU 417 HD23 -0.09 0.01 -0.03 -0.04 0.89 0.74 1mioA1 LYS 418 H -0.03 0.27 -0.54 -0.55 8.42 7.57 1mioA1 LYS 418 HA -0.02 0.09 0.77 -0.75 4.32 4.40 1mioA1 LYS 418 HB2 -0.02 0.11 0.11 -0.04 1.87 2.03 1mioA1 LYS 418 HB3 -0.02 0.09 0.19 -0.04 1.79 2.02 1mioA1 LYS 418 HG2 -0.02 -0.01 0.07 -0.04 1.46 1.46 1mioA1 LYS 418 HG3 -0.01 -0.03 0.03 -0.04 1.46 1.41 1mioA1 LYS 418 HD2 -0.01 -0.03 0.00 -0.04 1.69 1.61 1mioA1 LYS 418 HD3 -0.01 -0.00 -0.08 -0.04 1.68 1.54 1mioA1 LYS 418 HE2 -0.01 -0.03 0.01 -0.04 2.99 2.91 1mioA1 LYS 418 HE3 -0.02 -0.02 0.07 -0.04 2.99 2.99 1mioA1 LYS 419 H -0.02 0.68 0.28 -0.55 8.42 8.81 1mioA1 LYS 419 HA -0.01 -0.06 0.31 -0.75 4.32 3.80 1mioA1 ALA 420 H -0.02 0.23 0.42 -0.55 8.40 8.49 1mioA1 ALA 420 HA -0.02 0.00 0.32 -0.75 4.34 3.89 1mioA1 ALA 420 HB3 -0.01 0.03 0.00 -0.04 1.41 1.38 1mioA1 GLY 421 H -0.02 0.33 -0.83 -0.55 8.43 7.36 1mioA1 GLY 421 HA2 -0.04 0.09 -0.09 -0.51 4.01 3.47 1mioA1 GLY 421 HA3 -0.03 -0.07 0.16 -0.51 4.01 3.55 1mioA1 VAL 422 H -0.04 0.43 -0.22 -0.55 8.24 7.87 1mioA1 VAL 422 HA -0.03 0.03 0.38 -0.75 4.13 3.75 1mioA1 VAL 422 HB -0.04 -0.05 -0.01 -0.04 2.12 1.97 1mioA1 VAL 422 HG13 -0.04 -0.04 -0.12 -0.04 0.97 0.73 1mioA1 VAL 422 HG23 -0.02 0.05 0.01 -0.04 0.95 0.95 1mioA1 PRO 423 HA -0.10 0.11 0.16 -0.51 4.44 4.10 1mioA1 PRO 423 HB2 -0.01 -0.06 0.31 -0.04 2.28 2.48 1mioA1 PRO 423 HB3 -0.02 0.03 0.10 -0.04 2.02 2.09 1mioA1 PRO 423 HG2 0.01 0.14 0.20 -0.04 2.03 2.34 1mioA1 PRO 423 HG3 -0.01 0.09 0.15 -0.04 2.03 2.22 1mioA1 PRO 423 HD2 -0.04 -0.02 -0.07 -0.04 3.68 3.51 1mioA1 PRO 423 HD3 -0.03 0.10 0.20 -0.04 3.65 3.88 1mioA1 LEU 424 H -0.15 0.75 0.38 -0.55 8.37 8.80 1mioA1 LEU 424 HA -0.23 0.15 0.58 -0.75 4.35 4.09 1mioA1 LEU 424 HB2 -0.11 0.03 -0.19 -0.04 1.64 1.33 1mioA1 LEU 424 HB3 -0.14 0.01 0.10 -0.04 1.64 1.57 1mioA1 LEU 424 HG -0.09 -0.00 -0.05 -0.04 1.64 1.46 1mioA1 LEU 424 HD13 -0.12 -0.01 -0.05 -0.04 0.93 0.71 1mioA1 LEU 424 HD23 -0.10 0.02 -0.14 -0.04 0.89 0.64 1mioA1 SER 425 H -0.86 0.72 0.36 -0.55 8.46 8.14 1mioA1 SER 425 HA -2.65 -0.06 0.26 -0.75 4.49 1.29 1mioA1 SER 425 HB2 -0.32 0.12 -0.26 -0.04 3.95 3.45 1mioA1 SER 425 HB3 -0.34 -0.03 0.12 -0.04 3.93 3.64 1mioA1 SER 426 H -0.85 0.30 -0.50 -0.55 8.46 6.86 1mioA1 SER 426 HA -0.13 0.05 0.57 -0.75 4.49 4.23 1mioA1 TYR 427 H 0.09 0.16 0.08 -0.55 8.29 8.07 1mioA1 TYR 427 HA 0.03 0.19 0.61 -0.75 4.56 4.64 1mioA1 TYR 427 HB2 0.37 0.12 -0.16 -0.04 3.06 3.36 1mioA1 TYR 427 HB3 0.06 -0.10 -0.01 -0.04 2.98 2.89 1mioA1 TYR 427 HD2 -0.34 0.01 -0.05 -0.04 7.15 6.73 1mioA1 TYR 427 HE2 -0.02 -0.03 -0.06 -0.04 6.85 6.69 1mioA1 GLY 428 H -0.15 0.33 0.11 -0.55 8.43 8.17 1mioA1 GLY 428 HA2 -0.27 -0.04 0.92 -0.51 4.01 4.11 1mioA1 GLY 428 HA3 -0.18 0.14 0.34 -0.51 4.01 3.79 1mioA1 GLY 429 H -0.39 0.07 -0.15 -0.55 8.43 7.42 1mioA1 GLY 429 HA2 -0.96 0.03 0.12 -0.51 4.01 2.69 1mioA1 GLY 429 HA3 -0.34 -0.07 -0.06 -0.51 4.01 3.03 1mioA1 MET 430 H -0.21 0.42 0.14 -0.55 8.47 8.28 1mioA1 MET 430 HA -0.94 0.07 0.44 -0.75 4.52 3.33 1mioA1 MET 430 HB2 -0.07 0.05 0.20 -0.04 2.15 2.29 1mioA1 MET 430 HB3 -0.03 0.02 0.26 -0.04 2.03 2.25 1mioA1 MET 430 HG2 -0.10 0.07 -0.10 -0.04 2.63 2.46 1mioA1 MET 430 HG3 -0.10 -0.06 -0.00 -0.04 2.56 2.36 1mioA1 MET 430 HE3 -0.18 0.01 -0.31 -0.04 2.10 1.59 1mioA1 MET 431 H -0.05 0.66 0.10 -0.55 8.47 8.63 1mioA1 MET 431 HA -0.02 -0.02 -0.02 -0.75 4.52 3.71 1mioA1 MET 431 HB2 -0.02 0.05 -0.06 -0.04 2.15 2.08 1mioA1 MET 431 HB3 -0.01 -0.04 0.07 -0.04 2.03 2.01 1mioA1 MET 431 HG2 0.05 -0.07 -0.05 -0.04 2.63 2.52 1mioA1 MET 431 HG3 0.06 0.23 -0.10 -0.04 2.56 2.71 1mioA1 MET 431 HE3 0.01 -0.04 -0.20 -0.04 2.10 1.83 1mioA1 LYS 432 H -0.08 0.26 -0.61 -0.55 8.42 7.43 1mioA1 LYS 432 HA -0.02 0.21 0.72 -0.75 4.32 4.47 1mioA1 LYS 432 HB2 -0.03 0.03 0.06 -0.04 1.87 1.88 1mioA1 LYS 432 HB3 -0.04 -0.03 -0.13 -0.04 1.79 1.55 1mioA1 LYS 432 HG2 -0.09 0.25 -0.31 -0.04 1.46 1.27 1mioA1 LYS 432 HG3 -0.07 -0.02 -0.14 -0.04 1.46 1.19 1mioA1 LYS 432 HD2 -0.16 -0.26 -0.29 -0.04 1.69 0.94 1mioA1 LYS 432 HD3 -0.08 0.06 -0.15 -0.04 1.68 1.47 1mioA1 LYS 432 HE2 -0.07 -0.08 -0.32 -0.04 2.99 2.49 1mioA1 LYS 432 HE3 -0.14 0.12 -0.93 -0.04 2.99 2.00 1mioA1 GLU 433 H -0.02 0.51 0.21 -0.55 8.60 8.75 1mioA1 GLU 433 HA 0.01 0.14 0.68 -0.75 4.29 4.36 1mioA1 GLU 433 HB2 0.13 0.02 0.13 -0.04 2.09 2.33 1mioA1 GLU 433 HB3 0.11 0.01 0.15 -0.04 1.99 2.21 1mioA1 GLU 433 HG2 0.02 -0.04 -0.07 -0.04 2.34 2.20 1mioA1 GLU 433 HG3 0.01 0.04 0.12 -0.04 2.34 2.46 1mioA1 MET 434 H -0.00 0.02 -0.16 -0.55 8.47 7.78 1mioA1 MET 434 HA 0.01 -0.02 0.30 -0.75 4.52 4.06 1mioA1 MET 434 HB2 -0.00 -0.09 -0.10 -0.04 2.15 1.91 1mioA1 MET 434 HB3 0.00 0.22 -0.13 -0.04 2.03 2.09 1mioA1 MET 434 HG2 0.01 -0.04 -0.11 -0.04 2.63 2.45 1mioA1 MET 434 HG3 0.04 0.16 -0.09 -0.04 2.56 2.64 1mioA1 MET 434 HE3 -0.02 -0.03 -0.17 -0.04 2.10 1.85 1mioA1 HIS 435 H 0.17 0.09 0.11 -0.55 8.41 8.23 1mioA1 HIS 435 HA -0.01 0.25 0.94 -0.75 4.63 5.05 1mioA1 HIS 435 HB2 -0.01 -0.09 0.17 -0.04 3.26 3.29 1mioA1 HIS 435 HB3 -0.01 0.03 0.03 -0.04 3.20 3.21 1mioA1 HIS 435 HD2 -0.01 -0.04 0.03 -0.04 6.97 6.91 1mioA1 HIS 435 HE1 -0.01 0.04 0.01 -0.04 7.75 7.74 1mioA1 ASP 436 H -0.09 0.10 0.14 -0.55 8.40 8.00 1mioA1 ASP 436 HA -0.05 0.14 0.25 -0.75 4.63 4.22 1mioA1 ASP 436 HB2 -0.11 0.05 0.13 -0.04 2.71 2.74 1mioA1 ASP 436 HB3 -0.07 -0.04 0.11 -0.04 2.70 2.66 1mioA1 GLY 437 H -0.06 0.57 0.52 -0.55 8.43 8.92 1mioA1 GLY 437 HA2 -0.05 -0.04 0.43 -0.51 4.01 3.84 1mioA1 GLY 437 HA3 -0.09 0.06 0.62 -0.51 4.01 4.09 1mioA1 THR 438 H -0.03 0.14 -0.10 -0.55 8.28 7.74 1mioA1 THR 438 HA 0.02 0.28 0.71 -0.75 4.39 4.65 1mioA1 THR 438 HB 0.04 0.01 0.09 -0.04 4.32 4.42 1mioA1 THR 438 HG23 0.04 -0.02 -0.13 -0.04 1.22 1.06 1mioA1 ILE 439 H 0.01 0.38 0.39 -0.55 8.25 8.47 1mioA1 ILE 439 HA -0.00 0.37 1.15 -0.75 4.18 4.94 1mioA1 ILE 439 HB 0.01 -0.12 0.18 -0.04 1.89 1.92 1mioA1 ILE 439 HG12 0.01 -0.11 -0.02 -0.04 1.49 1.32 1mioA1 ILE 439 HG13 0.00 0.16 -0.19 -0.04 1.21 1.14 1mioA1 ILE 439 HG23 0.01 -0.00 -0.03 -0.04 0.93 0.87 1mioA1 ILE 439 HD13 0.00 0.02 -0.02 -0.04 0.88 0.84 1mioA1 LEU 440 H -0.00 0.64 0.35 -0.55 8.37 8.81 1mioA1 LEU 440 HA 0.03 0.48 0.88 -0.75 4.35 4.98 1mioA1 LEU 440 HB2 -0.04 -0.00 0.01 -0.04 1.64 1.57 1mioA1 LEU 440 HB3 0.02 -0.10 0.05 -0.04 1.64 1.56 1mioA1 LEU 440 HG 0.03 0.09 -0.05 -0.04 1.64 1.68 1mioA1 LEU 440 HD13 0.00 -0.01 -0.37 -0.04 0.93 0.52 1mioA1 LEU 440 HD23 0.15 -0.03 -0.09 -0.04 0.89 0.88 1mioA1 ILE 441 H 0.10 0.19 -0.00 -0.55 8.25 8.00 1mioA1 ILE 441 HA 0.05 0.36 0.76 -0.75 4.18 4.60 1mioA1 ILE 441 HB 0.04 0.11 -0.48 -0.04 1.89 1.52 1mioA1 ILE 441 HG12 0.02 -0.13 -0.18 -0.04 1.49 1.15 1mioA1 ILE 441 HG13 0.05 0.16 -0.07 -0.04 1.21 1.32 1mioA1 ILE 441 HG23 0.08 -0.04 -0.16 -0.04 0.93 0.77 1mioA1 ILE 441 HD13 0.04 -0.01 -0.12 -0.04 0.88 0.75 1mioA1 ASP 442 H 0.05 0.82 0.26 -0.55 8.40 8.99 1mioA1 ASP 442 HA 0.41 -0.12 0.85 -0.75 4.63 5.02 1mioA1 ASP 442 HB2 -0.19 -0.08 0.09 -0.04 2.71 2.48 1mioA1 ASP 442 HB3 0.23 0.22 0.26 -0.04 2.70 3.36 1mioA1 ASP 443 H 0.40 0.52 0.38 -0.55 8.40 9.15 1mioA1 ASP 443 HA 0.35 -0.08 0.47 -0.75 4.63 4.62 1mioA1 ASP 443 HB2 0.18 0.02 0.07 -0.04 2.71 2.95 1mioA1 ASP 443 HB3 0.02 0.22 -0.03 -0.04 2.70 2.88 1mioA1 MET 444 H -0.13 0.02 -0.02 -0.55 8.47 7.80 1mioA1 MET 444 HA -0.09 0.08 0.47 -0.75 4.52 4.23 1mioA1 MET 444 HB2 -0.33 0.08 -0.02 -0.04 2.15 1.83 1mioA1 MET 444 HB3 -1.49 -0.11 0.07 -0.04 2.03 0.45 1mioA1 MET 444 HG2 -0.24 0.16 -0.11 -0.04 2.63 2.40 1mioA1 MET 444 HG3 -0.10 -0.05 0.01 -0.04 2.56 2.37 1mioA1 MET 444 HE3 -0.05 -0.01 -0.08 -0.04 2.10 1.92 1mioA1 ASN 445 H -0.03 0.09 0.21 -0.55 8.53 8.25 1mioA1 ASN 445 HA 0.03 0.45 0.76 -0.75 4.76 5.24 1mioA1 ASN 445 HB2 0.06 -0.26 0.04 -0.04 2.88 2.67 1mioA1 ASN 445 HB3 0.07 -0.11 0.20 -0.04 2.79 2.91 1mioA1 ASN 445 HD21 0.01 0.09 0.01 -0.04 7.03 7.10 1mioA1 ASN 445 HD22 0.02 0.03 -0.14 -0.04 7.74 7.61 1mioA1 HIS 446 H 0.13 0.22 0.28 -0.55 8.41 8.49 1mioA1 HIS 446 HA -0.03 0.09 0.57 -0.75 4.63 4.51 1mioA1 HIS 446 HB2 0.00 0.02 0.12 -0.04 3.26 3.37 1mioA1 HIS 446 HB3 0.02 -0.06 0.20 -0.04 3.20 3.31 1mioA1 HIS 446 HD2 -0.04 -0.03 0.05 -0.04 6.97 6.91 1mioA1 HIS 446 HE1 -0.02 0.07 -0.04 -0.04 7.75 7.72 1mioA1 HIS 447 H 0.09 0.06 -0.00 -0.55 8.41 8.01 1mioA1 HIS 447 HA -0.23 0.12 0.50 -0.75 4.63 4.27 1mioA1 HIS 447 HB2 -0.11 -0.00 0.12 -0.04 3.26 3.23 1mioA1 HIS 447 HB3 -0.09 -0.08 0.05 -0.04 3.20 3.03 1mioA1 HIS 447 HD2 -0.21 -0.07 0.04 -0.04 6.97 6.68 1mioA1 HIS 447 HE1 -0.21 0.39 0.18 -0.04 7.75 8.06 1mioA1 ASP 448 H 0.06 -0.01 -0.36 -0.55 8.40 7.54 1mioA1 ASP 448 HA 0.12 0.19 0.58 -0.75 4.63 4.77 1mioA1 ASP 448 HB2 -0.00 -0.03 0.11 -0.04 2.71 2.74 1mioA1 ASP 448 HB3 0.04 0.06 -0.06 -0.04 2.70 2.70 1mioA1 MET 449 H -0.04 0.31 -0.12 -0.55 8.47 8.07 1mioA1 MET 449 HA 0.09 0.03 0.33 -0.75 4.52 4.21 1mioA1 MET 449 HB2 -0.10 -0.01 0.08 -0.04 2.15 2.08 1mioA1 MET 449 HB3 -0.12 0.08 0.16 -0.04 2.03 2.11 1mioA1 MET 449 HG2 -0.29 0.09 -0.19 -0.04 2.63 2.20 1mioA1 MET 449 HG3 -0.68 -0.01 -0.05 -0.04 2.56 1.77 1mioA1 MET 449 HE3 0.02 0.03 0.01 -0.04 2.10 2.12 1mioA1 GLU 450 H -0.18 0.40 -0.22 -0.55 8.60 8.06 1mioA1 GLU 450 HA -0.11 0.05 0.32 -0.75 4.29 3.79 1mioA1 GLU 450 HB2 -0.38 0.09 0.14 -0.04 2.09 1.90 1mioA1 GLU 450 HB3 -0.26 0.03 0.15 -0.04 1.99 1.87 1mioA1 GLU 450 HG2 -0.22 -0.01 -0.00 -0.04 2.34 2.07 1mioA1 GLU 450 HG3 -0.14 0.03 -0.09 -0.04 2.34 2.10 1mioA1 VAL 451 H -0.14 0.41 -0.04 -0.55 8.24 7.92 1mioA1 VAL 451 HA -0.06 0.00 0.35 -0.75 4.13 3.66 1mioA1 VAL 451 HB 0.01 0.05 0.13 -0.04 2.12 2.26 1mioA1 VAL 451 HG13 0.01 -0.02 -0.21 -0.04 0.97 0.71 1mioA1 VAL 451 HG23 -0.13 0.06 0.09 -0.04 0.95 0.93 1mioA1 VAL 452 H 0.03 0.59 -0.28 -0.55 8.24 8.03 1mioA1 VAL 452 HA 0.04 -0.02 0.37 -0.75 4.13 3.75 1mioA1 VAL 452 HB 0.14 0.16 0.16 -0.04 2.12 2.54 1mioA1 VAL 452 HG13 0.14 -0.02 -0.18 -0.04 0.97 0.86 1mioA1 VAL 452 HG23 0.06 -0.03 -0.06 -0.04 0.95 0.88 1mioA1 LEU 453 H 0.05 0.72 0.03 -0.55 8.37 8.62 1mioA1 LEU 453 HA 0.11 -0.01 0.27 -0.75 4.35 3.96 1mioA1 LEU 453 HB2 0.01 0.16 0.05 -0.04 1.64 1.82 1mioA1 LEU 453 HB3 -0.02 0.04 0.12 -0.04 1.64 1.75 1mioA1 LEU 453 HG 0.02 0.07 -0.04 -0.04 1.64 1.66 1mioA1 LEU 453 HD13 -0.06 -0.05 -0.12 -0.04 0.93 0.65 1mioA1 LEU 453 HD23 -0.05 -0.01 -0.11 -0.04 0.89 0.67 1mioA1 GLU 454 H -0.01 0.56 -0.09 -0.55 8.60 8.51 1mioA1 GLU 454 HA -0.02 0.11 0.31 -0.75 4.29 3.95 1mioA1 GLU 454 HB2 -0.04 0.01 -0.04 -0.04 2.09 1.98 1mioA1 GLU 454 HB3 -0.03 -0.02 0.05 -0.04 1.99 1.95 1mioA1 GLU 454 HG2 -0.05 0.45 -0.13 -0.04 2.34 2.56 1mioA1 GLU 454 HG3 -0.06 -0.09 -0.12 -0.04 2.34 2.03 1mioA1 LYS 455 H 0.00 0.34 -0.26 -0.55 8.42 7.94 1mioA1 LYS 455 HA -0.01 0.13 0.81 -0.75 4.32 4.49 1mioA1 LYS 455 HB2 -0.00 0.40 0.17 -0.04 1.87 2.40 1mioA1 LYS 455 HB3 0.00 -0.05 -0.09 -0.04 1.79 1.61 1mioA1 LYS 455 HG2 -0.00 -0.12 -0.04 -0.04 1.46 1.26 1mioA1 LYS 455 HG3 -0.01 0.02 0.06 -0.04 1.46 1.49 1mioA1 LYS 455 HD2 -0.02 0.11 -0.02 -0.04 1.69 1.73 1mioA1 LYS 455 HD3 -0.01 -0.09 -0.04 -0.04 1.68 1.51 1mioA1 LYS 455 HE2 -0.02 0.08 -0.12 -0.04 2.99 2.89 1mioA1 LYS 455 HE3 -0.02 -0.05 -0.05 -0.04 2.99 2.83 1mioA1 LEU 456 H 0.01 0.43 -0.00 -0.55 8.37 8.26 1mioA1 LEU 456 HA -0.00 0.19 0.96 -0.75 4.35 4.74 1mioA1 LEU 456 HB2 0.02 0.28 0.09 -0.04 1.64 1.98 1mioA1 LEU 456 HB3 0.00 -0.05 -0.20 -0.04 1.64 1.34 1mioA1 LEU 456 HG 0.00 0.05 0.02 -0.04 1.64 1.66 1mioA1 LEU 456 HD13 0.01 -0.03 -0.16 -0.04 0.93 0.71 1mioA1 LEU 456 HD23 -0.00 -0.03 -0.07 -0.04 0.89 0.75 1mioA1 LYS 457 H 0.01 0.16 -0.11 -0.55 8.42 7.92 1mioA1 LYS 457 HA -0.00 0.16 0.46 -0.75 4.32 4.18 1mioA1 LYS 457 HB2 -0.02 -0.03 -0.14 -0.04 1.87 1.64 1mioA1 LYS 457 HB3 -0.03 0.03 0.09 -0.04 1.79 1.84 1mioA1 LYS 457 HG2 -0.02 -0.05 0.01 -0.04 1.46 1.36 1mioA1 LYS 457 HG3 -0.01 0.15 0.05 -0.04 1.46 1.61 1mioA1 LYS 457 HD2 -0.01 0.00 -0.04 -0.04 1.69 1.60 1mioA1 LYS 457 HD3 -0.01 -0.01 -0.38 -0.04 1.68 1.25 1mioA1 LYS 457 HE2 -0.01 -0.05 -0.07 -0.04 2.99 2.82 1mioA1 LYS 457 HE3 -0.01 0.02 -0.15 -0.04 2.99 2.80 1mioA1 PRO 458 HA -0.02 0.08 0.50 -0.51 4.44 4.49 1mioA1 PRO 458 HB2 0.02 0.07 -0.10 -0.04 2.28 2.23 1mioA1 PRO 458 HB3 -0.04 -0.07 -0.06 -0.04 2.02 1.80 1mioA1 PRO 458 HG2 0.08 -0.11 -0.11 -0.04 2.03 1.85 1mioA1 PRO 458 HG3 0.00 0.06 -0.23 -0.04 2.03 1.81 1mioA1 PRO 458 HD2 0.06 0.06 0.04 -0.04 3.68 3.81 1mioA1 PRO 458 HD3 0.04 0.15 0.10 -0.04 3.65 3.91 1mioA1 ASP 459 H -0.05 0.33 0.32 -0.55 8.40 8.45 1mioA1 ASP 459 HA -0.14 0.23 0.97 -0.75 4.63 4.94 1mioA1 ASP 459 HB2 -0.06 -0.01 0.28 -0.04 2.71 2.88 1mioA1 ASP 459 HB3 -0.12 0.01 0.11 -0.04 2.70 2.66 1mioA1 MET 460 H -0.06 0.30 0.39 -0.55 8.47 8.56 1mioA1 MET 460 HA -0.18 0.40 0.73 -0.75 4.52 4.71 1mioA1 MET 460 HB2 -0.43 -0.14 -0.03 -0.04 2.15 1.51 1mioA1 MET 460 HB3 -0.21 0.08 -0.03 -0.04 2.03 1.84 1mioA1 MET 460 HG2 0.04 -0.00 0.08 -0.04 2.63 2.71 1mioA1 MET 460 HG3 0.18 -0.11 -0.12 -0.04 2.56 2.47 1mioA1 MET 460 HE3 0.15 -0.01 -0.11 -0.04 2.10 2.09 1mioA1 PHE 461 H -0.10 0.54 0.20 -0.55 8.34 8.42 1mioA1 PHE 461 HA 0.03 0.02 0.67 -0.75 4.62 4.58 1mioA1 PHE 461 HB2 -0.05 0.13 -0.17 -0.04 3.15 3.02 1mioA1 PHE 461 HB3 -0.05 -0.04 0.01 -0.04 3.06 2.93 1mioA1 PHE 461 HD2 0.04 0.10 -0.24 -0.04 7.28 7.13 1mioA1 PHE 461 HE2 0.07 -0.02 -0.12 -0.04 7.38 7.28 1mioA1 PHE 461 HZ 0.02 -0.07 -0.13 -0.04 7.32 7.11 1mioA1 PHE 462 H 0.33 0.70 0.38 -0.55 8.34 9.19 1mioA1 PHE 462 HA 0.13 0.22 0.98 -0.75 4.62 5.20 1mioA1 PHE 462 HB2 0.07 -0.02 0.20 -0.04 3.15 3.36 1mioA1 PHE 462 HB3 0.08 -0.13 0.08 -0.04 3.06 3.05 1mioA1 PHE 462 HD2 0.05 -0.01 -0.13 -0.04 7.28 7.16 1mioA1 PHE 462 HE2 0.05 0.05 -0.15 -0.04 7.38 7.30 1mioA1 PHE 462 HZ 0.08 0.09 -0.12 -0.04 7.32 7.33 1mioA1 ALA 463 H 0.23 0.39 0.30 -0.55 8.40 8.78 1mioA1 ALA 463 HA 0.29 0.36 0.64 -0.75 4.34 4.87 1mioA1 ALA 463 HB3 0.20 0.05 -0.00 -0.04 1.41 1.61 1mioA1 GLY 464 H 0.07 0.23 0.21 -0.55 8.43 8.39 1mioA1 GLY 464 HA2 -0.02 0.10 0.92 -0.51 4.01 4.51 1mioA1 GLY 464 HA3 -0.13 0.01 0.28 -0.51 4.01 3.66 1mioA1 ILE 465 H -0.10 0.15 0.16 -0.55 8.25 7.91 1mioA1 ILE 465 HA -0.09 0.12 0.16 -0.75 4.18 3.62 1mioA1 ILE 465 HB -0.01 -0.04 0.18 -0.04 1.89 1.98 1mioA1 ILE 465 HG12 0.10 0.07 0.00 -0.04 1.49 1.62 1mioA1 ILE 465 HG13 0.15 0.04 -0.07 -0.04 1.21 1.29 1mioA1 ILE 465 HG23 0.00 0.02 0.04 -0.04 0.93 0.94 1mioA1 ILE 465 HD13 0.14 0.02 0.02 -0.04 0.88 1.02 1mioA1 LYS 466 H 0.00 0.04 -0.03 -0.55 8.42 7.87 1mioA1 LYS 466 HA 0.09 0.21 0.42 -0.75 4.32 4.28 1mioA1 LYS 466 HB2 0.04 -0.05 0.03 -0.04 1.87 1.84 1mioA1 LYS 466 HB3 0.03 0.08 0.05 -0.04 1.79 1.91 1mioA1 LYS 466 HG2 0.02 0.08 0.00 -0.04 1.46 1.53 1mioA1 LYS 466 HG3 0.04 0.01 -0.02 -0.04 1.46 1.44 1mioA1 LYS 466 HD2 0.01 0.03 0.01 -0.04 1.69 1.69 1mioA1 LYS 466 HD3 0.01 -0.16 0.05 -0.04 1.68 1.54 1mioA1 LYS 466 HE2 0.04 0.01 -0.03 -0.04 2.99 2.97 1mioA1 LYS 466 HE3 0.02 0.07 -0.01 -0.04 2.99 3.04 1mioA1 GLU 467 H 0.00 0.09 -0.08 -0.55 8.60 8.07 1mioA1 GLU 467 HA -0.01 0.13 0.50 -0.75 4.29 4.16 1mioA1 GLU 467 HB2 0.01 -0.17 0.17 -0.04 2.09 2.06 1mioA1 GLU 467 HB3 -0.10 0.11 -0.01 -0.04 1.99 1.95 1mioA1 GLU 467 HG2 0.07 0.08 -0.02 -0.04 2.34 2.44 1mioA1 GLU 467 HG3 0.05 0.05 -0.06 -0.04 2.34 2.34 1mioA1 LYS 468 H -0.09 0.51 -0.05 -0.55 8.42 8.24 1mioA1 LYS 468 HA -0.15 0.04 0.22 -0.75 4.32 3.67 1mioA1 LYS 468 HB2 -0.21 -0.16 -0.25 -0.04 1.87 1.22 1mioA1 LYS 468 HB3 -0.35 0.17 -0.08 -0.04 1.79 1.49 1mioA1 LYS 468 HG2 -0.71 -0.05 -0.13 -0.04 1.46 0.53 1mioA1 LYS 468 HG3 -1.25 0.10 -0.35 -0.04 1.46 -0.08 1mioA1 LYS 468 HD2 -0.24 0.12 -0.10 -0.04 1.69 1.43 1mioA1 LYS 468 HD3 -0.20 -0.18 -0.28 -0.04 1.68 0.98 1mioA1 LYS 468 HE2 -0.23 -0.09 -0.08 -0.04 2.99 2.55 1mioA1 LYS 468 HE3 -0.32 0.06 -0.08 -0.04 2.99 2.60 1mioA1 PHE 469 H -0.10 0.18 -0.42 -0.55 8.34 7.44 1mioA1 PHE 469 HA 0.03 0.13 0.45 -0.75 4.62 4.48 1mioA1 PHE 469 HB2 0.00 0.04 0.03 -0.04 3.15 3.18 1mioA1 PHE 469 HB3 0.01 0.04 -0.01 -0.04 3.06 3.05 1mioA1 PHE 469 HD2 0.02 0.05 -0.02 -0.04 7.28 7.29 1mioA1 PHE 469 HE2 0.03 0.00 -0.04 -0.04 7.38 7.33 1mioA1 PHE 469 HZ 0.04 0.01 -0.04 -0.04 7.32 7.29 1mioA1 VAL 470 H 0.06 0.24 -0.12 -0.55 8.24 7.87 1mioA1 VAL 470 HA 0.06 0.07 0.53 -0.75 4.13 4.04 1mioA1 VAL 470 HB 0.01 0.01 0.25 -0.04 2.12 2.36 1mioA1 VAL 470 HG13 0.12 0.00 -0.07 -0.04 0.97 0.98 1mioA1 VAL 470 HG23 -0.00 0.01 0.07 -0.04 0.95 0.98 1mioA1 ILE 471 H -0.05 0.37 -0.02 -0.55 8.25 7.99 1mioA1 ILE 471 HA -0.06 0.03 0.20 -0.75 4.18 3.60 1mioA1 ILE 471 HB -0.09 0.08 -0.05 -0.04 1.89 1.78 1mioA1 ILE 471 HG12 -0.43 0.01 -0.09 -0.04 1.49 0.93 1mioA1 ILE 471 HG13 -0.22 -0.04 -0.01 -0.04 1.21 0.90 1mioA1 ILE 471 HG23 -0.08 0.04 -0.26 -0.04 0.93 0.59 1mioA1 ILE 471 HD13 -0.38 -0.04 -0.25 -0.04 0.88 0.17 1mioA1 GLN 472 H 0.06 0.34 -0.17 -0.55 8.47 8.15 1mioA1 GLN 472 HA 0.17 0.05 0.47 -0.75 4.36 4.30 1mioA1 GLN 472 HB2 0.23 -0.04 0.06 -0.04 2.15 2.36 1mioA1 GLN 472 HB3 0.51 -0.02 0.10 -0.04 2.02 2.57 1mioA1 GLN 472 HG2 0.18 0.39 0.15 -0.04 2.40 3.09 1mioA1 GLN 472 HG3 0.06 0.12 0.15 -0.04 2.39 2.68 1mioA1 GLN 472 HE21 0.13 -0.03 0.01 -0.04 6.97 7.04 1mioA1 GLN 472 HE22 0.11 -0.03 -0.03 -0.04 7.69 7.71 1mioA1 LYS 473 H 0.12 0.46 -0.27 -0.55 8.42 8.17 1mioA1 LYS 473 HA 0.11 0.07 0.62 -0.75 4.32 4.37 1mioA1 LYS 473 HB2 0.10 0.17 0.22 -0.04 1.87 2.32 1mioA1 LYS 473 HB3 0.07 0.01 0.11 -0.04 1.79 1.94 1mioA1 LYS 473 HG2 0.04 -0.06 0.02 -0.04 1.46 1.42 1mioA1 LYS 473 HG3 0.05 0.03 0.18 -0.04 1.46 1.68 1mioA1 LYS 473 HD2 0.05 0.00 0.04 -0.04 1.69 1.74 1mioA1 LYS 473 HD3 0.03 -0.05 0.03 -0.04 1.68 1.65 1mioA1 LYS 473 HE2 0.01 -0.01 0.02 -0.04 2.99 2.98 1mioA1 LYS 473 HE3 0.01 0.03 0.04 -0.04 2.99 3.03 1mioA1 GLY 474 H 0.07 0.36 -0.11 -0.55 8.43 8.20 1mioA1 GLY 474 HA2 0.04 0.05 0.56 -0.51 4.01 4.15 1mioA1 GLY 474 HA3 0.02 -0.03 0.27 -0.51 4.01 3.76 1mioA1 GLY 475 H 0.18 0.12 -1.21 -0.55 8.43 6.98 1mioA1 GLY 475 HA2 0.55 0.08 0.21 -0.51 4.01 4.34 1mioA1 GLY 475 HA3 0.17 0.04 0.25 -0.51 4.01 3.96 1mioA1 VAL 476 H -0.08 0.24 -0.05 -0.55 8.24 7.79 1mioA1 VAL 476 HA -0.50 0.19 0.66 -0.75 4.13 3.73 1mioA1 VAL 476 HB -0.11 -0.05 -0.19 -0.04 2.12 1.73 1mioA1 VAL 476 HG13 -0.11 0.01 -0.42 -0.04 0.97 0.42 1mioA1 VAL 476 HG23 -0.12 0.05 -0.19 -0.04 0.95 0.64 1mioA1 LEU 477 H -0.58 0.38 0.10 -0.55 8.37 7.73 1mioA1 LEU 477 HA -0.17 0.05 0.43 -0.75 4.35 3.90 1mioA1 LEU 477 HB2 -0.44 0.11 0.04 -0.04 1.64 1.30 1mioA1 LEU 477 HB3 -0.30 0.13 0.20 -0.04 1.64 1.62 1mioA1 LEU 477 HG -0.16 -0.14 -0.39 -0.04 1.64 0.91 1mioA1 LEU 477 HD13 0.21 0.04 -0.06 -0.04 0.93 1.07 1mioA1 LEU 477 HD23 -0.13 -0.01 -0.16 -0.04 0.89 0.54 1mioA1 SER 478 H -0.01 0.32 0.20 -0.55 8.46 8.43 1mioA1 SER 478 HA -0.15 0.32 0.83 -0.75 4.49 4.73 1mioA1 SER 478 HB2 -0.07 0.05 -0.07 -0.04 3.95 3.82 1mioA1 SER 478 HB3 -0.09 -0.02 0.15 -0.04 3.93 3.92 1mioA1 LYS 479 H -0.37 0.22 0.15 -0.55 8.42 7.86 1mioA1 LYS 479 HA -0.07 0.22 0.66 -0.75 4.32 4.37 1mioA1 LYS 479 HB2 -0.37 -0.05 -0.04 -0.04 1.87 1.36 1mioA1 LYS 479 HB3 0.04 -0.04 -0.04 -0.04 1.79 1.70 1mioA1 LYS 479 HG2 -0.17 0.05 -0.23 -0.04 1.46 1.06 1mioA1 LYS 479 HG3 -0.20 0.02 -0.10 -0.04 1.46 1.14 1mioA1 LYS 479 HD2 -0.05 0.07 -0.20 -0.04 1.69 1.47 1mioA1 LYS 479 HD3 0.01 -0.08 -0.04 -0.04 1.68 1.52 1mioA1 LYS 479 HE2 0.00 0.01 0.07 -0.04 2.99 3.03 1mioA1 LYS 479 HE3 0.02 0.05 -0.03 -0.04 2.99 2.99 1mioA1 GLN 480 H 0.03 0.27 0.03 -0.55 8.47 8.25 1mioA1 GLN 480 HA 0.10 0.30 1.05 -0.75 4.36 5.05 1mioA1 GLN 480 HB2 -0.08 -0.11 0.08 -0.04 2.15 2.01 1mioA1 GLN 480 HB3 -0.01 -0.21 0.10 -0.04 2.02 1.85 1mioA1 GLN 480 HG2 -0.08 -0.01 -0.29 -0.04 2.40 1.98 1mioA1 GLN 480 HG3 -0.10 0.15 -0.18 -0.04 2.39 2.22 1mioA1 GLN 480 HE21 -0.03 0.07 -0.01 -0.04 6.97 6.96 1mioA1 GLN 480 HE22 -0.12 0.16 -0.05 -0.04 7.69 7.63 1mioA1 LEU 481 H 0.21 0.54 0.39 -0.55 8.37 8.96 1mioA1 LEU 481 HA 0.17 0.21 0.46 -0.75 4.35 4.43 1mioA1 LEU 481 HB2 0.22 0.09 0.16 -0.04 1.64 2.07 1mioA1 LEU 481 HB3 0.08 -0.12 0.01 -0.04 1.64 1.56 1mioA1 LEU 481 HG -0.38 -0.07 0.05 -0.04 1.64 1.19 1mioA1 LEU 481 HD13 -0.31 0.04 -0.09 -0.04 0.93 0.53 1mioA1 LEU 481 HD23 -0.13 -0.01 -0.11 -0.04 0.89 0.60 1mioA1 HIS 482 H 0.21 0.08 0.05 -0.55 8.41 8.21 1mioA1 HIS 482 HA -0.09 0.09 0.76 -0.75 4.63 4.64 1mioA1 HIS 482 HB2 -0.04 -0.11 0.26 -0.04 3.26 3.33 1mioA1 HIS 482 HB3 -0.06 0.12 0.08 -0.04 3.20 3.29 1mioA1 HIS 482 HD2 0.04 0.11 -0.03 -0.04 6.97 7.04 1mioA1 HIS 482 HE1 0.07 0.02 -0.02 -0.04 7.75 7.78 1mioA1 SER 483 H -0.04 0.01 0.07 -0.55 8.46 7.95 1mioA1 SER 483 HA -0.20 0.17 0.53 -0.75 4.49 4.23 1mioA1 SER 483 HB2 -0.17 0.16 0.19 -0.04 3.95 4.10 1mioA1 SER 483 HB3 -0.09 0.00 0.16 -0.04 3.93 3.95 1mioA1 TYR 484 H -0.01 0.05 -0.42 -0.55 8.29 7.35 1mioA1 TYR 484 HA -0.39 0.15 0.34 -0.75 4.56 3.91 1mioA1 TYR 484 HB2 -0.31 0.15 -0.48 -0.04 3.06 2.37 1mioA1 TYR 484 HB3 -0.84 0.22 0.13 -0.04 2.98 2.45 1mioA1 TYR 484 HD2 -0.21 0.11 -0.05 -0.04 7.15 6.96 1mioA1 TYR 484 HE2 0.03 0.04 0.07 -0.04 6.85 6.95 1mioA1 ASP 485 H -0.31 -0.13 -0.56 -0.55 8.40 6.85 1mioA1 ASP 485 HA -0.71 -0.05 0.25 -0.75 4.63 3.37 1mioA1 ASP 485 HB2 -0.01 0.05 -0.20 -0.04 2.71 2.51 1mioA1 ASP 485 HB3 -0.02 0.11 0.28 -0.04 2.70 3.03 1mioA1 TYR 486 H -0.47 0.38 -0.03 -0.55 8.29 7.62 1mioA1 TYR 486 HA 0.01 0.03 0.30 -0.75 4.56 4.14 1mioA1 TYR 486 HB2 0.02 0.13 0.08 -0.04 3.06 3.25 1mioA1 TYR 486 HB3 0.00 -0.00 0.14 -0.04 2.98 3.08 1mioA1 TYR 486 HD2 -0.00 0.12 -0.09 -0.04 7.15 7.13 1mioA1 TYR 486 HE2 0.00 0.02 -0.01 -0.04 6.85 6.82 1mioA1 ASN 487 H -0.00 0.26 -0.25 -0.55 8.53 7.98 1mioA1 ASN 487 HA 0.12 0.16 0.69 -0.75 4.76 4.98 1mioA1 ASN 487 HB2 0.22 -0.06 -0.09 -0.04 2.88 2.91 1mioA1 ASN 487 HB3 0.14 0.01 0.09 -0.04 2.79 2.99 1mioA1 ASN 487 HD21 0.11 -0.06 0.03 -0.04 7.03 7.07 1mioA1 ASN 487 HD22 0.07 0.07 -0.07 -0.04 7.74 7.77 1mioA1 GLY 488 H 0.16 0.25 0.12 -0.55 8.43 8.42 1mioA1 GLY 488 HA2 0.24 0.07 0.00 -0.51 4.01 3.82 1mioA1 GLY 488 HA3 0.08 0.11 0.67 -0.51 4.01 4.35 1mioA1 PRO 489 HA 0.13 0.08 0.40 -0.51 4.44 4.54 1mioA1 PRO 489 HB2 0.12 0.24 0.16 -0.04 2.28 2.76 1mioA1 PRO 489 HB3 0.13 -0.00 -0.18 -0.04 2.02 1.92 1mioA1 PRO 489 HG2 0.15 -0.08 0.01 -0.04 2.03 2.08 1mioA1 PRO 489 HG3 0.16 -0.02 0.08 -0.04 2.03 2.20 1mioA1 PRO 489 HD2 0.17 0.10 0.05 -0.04 3.68 3.96 1mioA1 PRO 489 HD3 0.19 0.12 0.30 -0.04 3.65 4.22 1mioA1 TYR 490 H -0.06 0.12 0.21 -0.55 8.29 8.01 1mioA1 TYR 490 HA -0.01 0.37 0.90 -0.75 4.56 5.07 1mioA1 TYR 490 HB2 -0.84 -0.06 0.14 -0.04 3.06 2.26 1mioA1 TYR 490 HB3 -0.03 -0.04 0.12 -0.04 2.98 3.00 1mioA1 TYR 490 HD2 -0.10 -0.02 -0.21 -0.04 7.15 6.78 1mioA1 TYR 490 HE2 0.07 -0.02 -0.18 -0.04 6.85 6.67 1mioA1 ALA 491 H 0.09 -0.00 0.12 -0.55 8.40 8.06 1mioA1 ALA 491 HA -0.03 0.19 0.88 -0.75 4.34 4.63 1mioA1 ALA 491 HB3 0.03 -0.01 0.01 -0.04 1.41 1.40 1mioA1 GLY 492 H -0.03 0.54 0.30 -0.55 8.43 8.70 1mioA1 GLY 492 HA2 0.04 0.09 0.21 -0.51 4.01 3.84 1mioA1 GLY 492 HA3 0.08 0.09 0.82 -0.51 4.01 4.49 1mioA1 PHE 493 H 0.20 0.16 0.11 -0.55 8.34 8.25 1mioA1 PHE 493 HA 0.06 0.20 0.80 -0.75 4.62 4.93 1mioA1 PHE 493 HB2 0.07 -0.02 0.17 -0.04 3.15 3.33 1mioA1 PHE 493 HB3 0.06 0.13 0.02 -0.04 3.06 3.22 1mioA1 PHE 493 HD2 0.05 -0.02 0.01 -0.04 7.28 7.27 1mioA1 PHE 493 HE2 0.01 0.02 -0.04 -0.04 7.38 7.32 1mioA1 PHE 493 HZ -0.01 0.04 -0.02 -0.04 7.32 7.29 1mioA1 ARG 494 H 0.24 0.16 0.11 -0.55 8.46 8.41 1mioA1 ARG 494 HA 0.17 0.13 0.45 -0.75 4.34 4.33 1mioA1 ARG 494 HB2 0.15 -0.05 0.15 -0.04 1.90 2.12 1mioA1 ARG 494 HB3 0.14 0.08 -0.06 -0.04 1.80 1.92 1mioA1 ARG 494 HG2 0.11 0.05 0.02 -0.04 1.67 1.82 1mioA1 ARG 494 HG3 0.12 0.02 0.07 -0.04 1.67 1.84 1mioA1 ARG 494 HD2 0.07 0.06 0.01 -0.04 3.22 3.32 1mioA1 ARG 494 HD3 0.10 -0.04 0.03 -0.04 3.22 3.27 1mioA1 GLY 495 H 0.15 -0.04 -0.61 -0.55 8.43 7.37 1mioA1 GLY 495 HA2 0.15 0.30 0.19 -0.51 4.01 4.14 1mioA1 GLY 495 HA3 0.11 0.11 -0.53 -0.51 4.01 3.19 1mioA1 VAL 496 H 0.15 0.56 -0.52 -0.55 8.24 7.88 1mioA1 VAL 496 HA 0.05 0.04 0.43 -0.75 4.13 3.90 1mioA1 VAL 496 HB 0.23 0.12 0.10 -0.04 2.12 2.54 1mioA1 VAL 496 HG13 0.31 -0.01 -0.06 -0.04 0.97 1.16 1mioA1 VAL 496 HG23 0.06 -0.01 0.08 -0.04 0.95 1.04 1mioA1 VAL 497 H 0.21 0.28 -0.22 -0.55 8.24 7.96 1mioA1 VAL 497 HA 0.50 0.02 0.30 -0.75 4.13 4.20 1mioA1 VAL 497 HB 0.23 0.27 0.13 -0.04 2.12 2.71 1mioA1 VAL 497 HG13 0.37 0.00 -0.06 -0.04 0.97 1.25 1mioA1 VAL 497 HG23 0.26 -0.01 0.05 -0.04 0.95 1.22 1mioA1 ASN 498 H 0.15 0.23 -0.33 -0.55 8.53 8.03 1mioA1 ASN 498 HA 0.16 0.06 0.41 -0.75 4.76 4.63 1mioA1 ASN 498 HB2 0.15 0.22 0.21 -0.04 2.88 3.42 1mioA1 ASN 498 HB3 0.24 -0.06 -0.02 -0.04 2.79 2.91 1mioA1 ASN 498 HD21 0.16 -0.00 -0.14 -0.04 7.03 7.01 1mioA1 ASN 498 HD22 0.21 -0.11 -0.11 -0.04 7.74 7.68 1mioA1 PHE 499 H -0.08 0.35 -0.12 -0.55 8.34 7.94 1mioA1 PHE 499 HA -0.85 0.00 0.31 -0.75 4.62 3.33 1mioA1 PHE 499 HB2 -0.74 -0.04 0.19 -0.04 3.15 2.52 1mioA1 PHE 499 HB3 -0.21 0.19 0.21 -0.04 3.06 3.21 1mioA1 PHE 499 HD2 -0.13 0.03 -0.11 -0.04 7.28 7.02 1mioA1 PHE 499 HE2 0.06 -0.00 -0.12 -0.04 7.38 7.28 1mioA1 PHE 499 HZ -0.15 -0.01 -0.12 -0.04 7.32 7.00 1mioA1 GLY 500 H -0.25 0.56 -0.07 -0.55 8.43 8.13 1mioA1 GLY 500 HA2 -0.79 0.02 0.31 -0.51 4.01 3.04 1mioA1 GLY 500 HA3 -2.30 0.04 0.29 -0.51 4.01 1.54 1mioA1 HIS 501 H -0.24 0.53 -0.18 -0.55 8.41 7.97 1mioA1 HIS 501 HA 0.15 0.02 0.38 -0.75 4.63 4.43 1mioA1 HIS 501 HB2 0.10 0.14 0.20 -0.04 3.26 3.67 1mioA1 HIS 501 HB3 0.11 -0.02 -0.03 -0.04 3.20 3.22 1mioA1 HIS 501 HD2 0.39 0.01 -0.00 -0.04 6.97 7.32 1mioA1 HIS 501 HE1 0.08 -0.05 -0.02 -0.04 7.75 7.72 1mioA1 GLU 502 H 0.02 0.55 0.01 -0.55 8.60 8.63 1mioA1 GLU 502 HA 0.05 0.01 0.39 -0.75 4.29 3.98 1mioA1 GLU 502 HB2 -0.07 0.29 0.18 -0.04 2.09 2.45 1mioA1 GLU 502 HB3 -0.06 -0.05 0.01 -0.04 1.99 1.85 1mioA1 GLU 502 HG2 0.12 -0.02 0.03 -0.04 2.34 2.43 1mioA1 GLU 502 HG3 0.24 -0.03 -0.04 -0.04 2.34 2.47 1mioA1 LEU 503 H -0.31 0.76 -0.17 -0.55 8.37 8.11 1mioA1 LEU 503 HA -0.17 -0.06 0.31 -0.75 4.35 3.68 1mioA1 LEU 503 HB2 -0.70 -0.06 0.07 -0.04 1.64 0.90 1mioA1 LEU 503 HB3 -0.37 0.15 0.14 -0.04 1.64 1.53 1mioA1 LEU 503 HG -0.09 0.06 -0.18 -0.04 1.64 1.40 1mioA1 LEU 503 HD13 -0.10 -0.04 -0.06 -0.04 0.93 0.69 1mioA1 LEU 503 HD23 0.11 -0.01 -0.09 -0.04 0.89 0.85 1mioA1 VAL 504 H -0.11 0.70 0.04 -0.55 8.24 8.32 1mioA1 VAL 504 HA 0.07 0.04 0.34 -0.75 4.13 3.83 1mioA1 VAL 504 HB 0.14 -0.02 0.04 -0.04 2.12 2.24 1mioA1 VAL 504 HG13 -0.16 0.04 0.07 -0.04 0.97 0.88 1mioA1 VAL 504 HG23 0.23 0.03 0.05 -0.04 0.95 1.22 1mioA1 ASN 505 H 0.10 0.62 -0.13 -0.55 8.53 8.58 1mioA1 ASN 505 HA 0.17 0.02 0.43 -0.75 4.76 4.63 1mioA1 ASN 505 HB2 0.09 0.15 0.11 -0.04 2.88 3.19 1mioA1 ASN 505 HB3 0.09 -0.07 0.02 -0.04 2.79 2.79 1mioA1 ASN 505 HD21 0.08 -0.06 -0.05 -0.04 7.03 6.96 1mioA1 ASN 505 HD22 0.08 -0.04 -0.08 -0.04 7.74 7.67 1mioA1 GLY 506 H 0.05 0.36 -0.36 -0.55 8.43 7.93 1mioA1 GLY 506 HA2 0.14 -0.01 0.58 -0.51 4.01 4.20 1mioA1 GLY 506 HA3 0.05 -0.01 0.30 -0.51 4.01 3.84 1mioA1 ILE 507 H 0.01 0.46 0.05 -0.55 8.25 8.21 1mioA1 ILE 507 HA -0.17 0.03 0.45 -0.75 4.18 3.73 1mioA1 ILE 507 HB -0.10 0.06 0.19 -0.04 1.89 1.99 1mioA1 ILE 507 HG12 -0.12 -0.01 0.03 -0.04 1.49 1.35 1mioA1 ILE 507 HG13 -0.12 -0.01 -0.02 -0.04 1.21 1.02 1mioA1 ILE 507 HG23 -0.64 0.01 -0.05 -0.04 0.93 0.21 1mioA1 ILE 507 HD13 -0.24 -0.02 -0.02 -0.04 0.88 0.56 1mioA1 TYR 508 H 0.18 0.38 -0.27 -0.55 8.29 8.02 1mioA1 TYR 508 HA 0.10 0.13 0.55 -0.75 4.56 4.58 1mioA1 TYR 508 HB2 0.07 0.19 0.13 -0.04 3.06 3.41 1mioA1 TYR 508 HB3 0.07 -0.10 0.13 -0.04 2.98 3.03 1mioA1 TYR 508 HD2 0.03 0.08 0.06 -0.04 7.15 7.28 1mioA1 TYR 508 HE2 -0.01 0.00 -0.03 -0.04 6.85 6.77 1mioA1 THR 509 H 0.25 0.32 -0.56 -0.55 8.28 7.74 1mioA1 THR 509 HA 0.07 0.04 0.52 -0.75 4.39 4.27 1mioA1 THR 509 HB 0.18 0.12 0.12 -0.04 4.32 4.70 1mioA1 THR 509 HG23 -0.27 -0.09 -0.05 -0.04 1.22 0.77 1mioA1 PRO 510 HA 0.07 0.14 0.24 -0.51 4.44 4.39 1mioA1 PRO 510 HB2 0.00 -0.02 0.06 -0.04 2.28 2.29 1mioA1 PRO 510 HB3 0.04 0.04 0.09 -0.04 2.02 2.14 1mioA1 PRO 510 HG2 0.03 -0.01 0.11 -0.04 2.03 2.11 1mioA1 PRO 510 HG3 0.07 0.20 0.11 -0.04 2.03 2.37 1mioA1 PRO 510 HD2 -0.01 0.01 0.22 -0.04 3.68 3.86 1mioA1 PRO 510 HD3 0.04 0.17 0.33 -0.04 3.65 4.15 1mioA1 ALA 511 H -0.15 0.13 -0.13 -0.55 8.40 7.71 1mioA1 ALA 511 HA -0.08 0.07 0.24 -0.75 4.34 3.82 1mioA1 ALA 511 HB3 -0.23 0.01 0.04 -0.04 1.41 1.19 1mioA1 TRP 512 H -0.13 0.29 -0.54 -0.55 7.97 7.04 1mioA1 TRP 512 HA -0.02 0.04 0.38 -0.75 4.62 4.27 1mioA1 TRP 512 HB2 -0.03 0.21 0.12 -0.04 3.23 3.49 1mioA1 TRP 512 HB3 -0.04 0.03 -0.00 -0.04 3.23 3.17 1mioA1 TRP 512 HD1 -0.05 0.20 0.05 -0.04 7.22 7.37 1mioA1 TRP 512 HE1 -0.04 0.16 0.06 -0.04 10.20 10.33 1mioA1 TRP 512 HE3 -0.02 0.05 -0.02 -0.04 7.59 7.56 1mioA1 TRP 512 HZ2 -0.04 -0.09 -0.06 -0.04 7.44 7.21 1mioA1 TRP 512 HZ3 -0.01 0.06 -0.02 -0.04 7.13 7.11 1mioA1 TRP 512 HH2 -0.01 -0.06 -0.06 -0.04 7.19 7.01 1mioA1 LYS 513 H 0.14 0.35 -0.14 -0.55 8.42 8.21 1mioA1 LYS 513 HA 0.08 0.10 0.46 -0.75 4.32 4.21 1mioA1 LYS 513 HB2 0.07 0.16 0.15 -0.04 1.87 2.20 1mioA1 LYS 513 HB3 0.05 -0.06 0.13 -0.04 1.79 1.86 1mioA1 LYS 513 HG2 0.07 -0.03 0.03 -0.04 1.46 1.48 1mioA1 LYS 513 HG3 0.06 -0.01 0.03 -0.04 1.46 1.49 1mioA1 LYS 513 HD2 0.21 -0.18 -0.04 -0.04 1.69 1.64 1mioA1 LYS 513 HD3 0.12 0.06 -0.02 -0.04 1.68 1.80 1mioA1 LYS 513 HE2 0.00 -0.02 -0.00 -0.04 2.99 2.93 1mioA1 LYS 513 HE3 0.02 -0.02 -0.04 -0.04 2.99 2.91 1mioA1 MET 514 H 0.02 0.34 -0.63 -0.55 8.47 7.65 1mioA1 MET 514 HA -0.02 0.18 0.76 -0.75 4.52 4.70 1mioA1 MET 514 HB2 -0.03 -0.02 0.00 -0.04 2.15 2.06 1mioA1 MET 514 HB3 -0.03 -0.03 0.14 -0.04 2.03 2.06 1mioA1 MET 514 HG2 -0.01 -0.03 -0.01 -0.04 2.63 2.53 1mioA1 MET 514 HG3 -0.00 0.04 -0.15 -0.04 2.56 2.41 1mioA1 MET 514 HE3 0.01 0.03 -0.10 -0.04 2.10 1.99 1mioA1 ILE 515 H 0.01 0.24 -0.19 -0.55 8.25 7.76 1mioA1 ILE 515 HA -0.04 0.03 0.47 -0.75 4.18 3.89 1mioA1 ILE 515 HB 0.04 0.07 0.12 -0.04 1.89 2.07 1mioA1 ILE 515 HG12 0.00 -0.10 0.03 -0.04 1.49 1.37 1mioA1 ILE 515 HG13 0.01 0.21 0.03 -0.04 1.21 1.42 1mioA1 ILE 515 HG23 0.02 -0.02 -0.04 -0.04 0.93 0.85 1mioA1 ILE 515 HD13 0.21 0.04 0.07 -0.04 0.88 1.17 1mioA1 THR 516 H -0.05 0.09 -0.18 -0.55 8.28 7.59 1mioA1 THR 516 HA -0.15 0.17 0.70 -0.75 4.39 4.36 1mioA1 THR 516 HB -0.08 -0.04 0.03 -0.04 4.32 4.19 1mioA1 THR 516 HG23 -0.14 0.01 -0.17 -0.04 1.22 0.89 1mioA1 PRO 517 HA -0.46 0.15 0.50 -0.51 4.44 4.12 1mioA1 PRO 517 HB2 -3.00 -0.12 0.02 -0.04 2.28 -0.86 1mioA1 PRO 517 HB3 -0.84 0.08 0.08 -0.04 2.02 1.30 1mioA1 PRO 517 HG2 -1.06 -0.17 0.11 -0.04 2.03 0.87 1mioA1 PRO 517 HG3 -0.59 0.03 0.11 -0.04 2.03 1.54 1mioA1 PRO 517 HD2 -0.30 0.14 0.25 -0.04 3.68 3.73 1mioA1 PRO 517 HD3 -0.27 0.33 0.28 -0.04 3.65 3.95 1mioA1 PRO 518 HA -0.09 0.09 0.08 -0.51 4.44 4.02 1mioA1 PRO 518 HB2 0.12 -0.01 -0.03 -0.04 2.28 2.32 1mioA1 PRO 518 HB3 0.03 0.03 0.07 -0.04 2.02 2.10 1mioA1 PRO 518 HG2 0.07 -0.01 0.06 -0.04 2.03 2.11 1mioA1 PRO 518 HG3 -0.03 0.11 0.09 -0.04 2.03 2.16 1mioA1 PRO 518 HD2 -0.04 0.02 0.10 -0.04 3.68 3.72 1mioA1 PRO 518 HD3 -0.20 0.18 0.23 -0.04 3.65 3.82 1mioA1 TRP 519 H -0.21 -0.01 -0.56 -0.55 7.97 6.64 1mioA1 TRP 519 HA 0.00 0.37 0.49 -0.75 4.62 4.72 1mioA1 TRP 519 HB2 0.00 -0.00 0.10 -0.04 3.23 3.29 1mioA1 TRP 519 HB3 0.00 -0.04 0.06 -0.04 3.23 3.21 1mioA1 TRP 519 HD1 0.00 0.03 -0.03 -0.04 7.22 7.18 1mioA1 TRP 519 HE1 0.00 0.01 0.03 -0.04 10.20 10.20 1mioA1 TRP 519 HE3 0.00 -0.01 -0.02 -0.04 7.59 7.52 1mioA1 TRP 519 HZ2 -0.00 0.01 0.03 -0.04 7.44 7.43 1mioA1 TRP 519 HZ3 -0.00 0.01 0.01 -0.04 7.13 7.11 1mioA1 TRP 519 HH2 -0.00 0.01 0.02 -0.04 7.19 7.17 1mioA1 LYS 520 H -0.83 0.09 -0.08 -0.55 8.42 7.04 1mioA1 LYS 520 HA 0.01 0.10 0.69 -0.75 4.32 4.37 1mioA1 LYS 520 HB2 -0.02 -0.00 0.10 -0.04 1.87 1.91 1mioA1 LYS 520 HB3 0.07 -0.07 0.08 -0.04 1.79 1.83 1mioA1 LYS 520 HG2 -0.38 -0.04 0.13 -0.04 1.46 1.13 1mioA1 LYS 520 HG3 -0.18 0.06 0.20 -0.04 1.46 1.50 1mioA1 LYS 520 HD2 -0.00 -0.01 0.05 -0.04 1.69 1.69 1mioA1 LYS 520 HD3 0.07 -0.05 0.05 -0.04 1.68 1.71 1mioA1 LYS 520 HE2 -0.10 0.02 0.08 -0.04 2.99 2.95 1mioA1 LYS 520 HE3 -0.06 0.04 0.06 -0.04 2.99 2.98 1mioA1 LYS 521 H -0.03 0.82 -0.19 -0.55 8.42 8.47 1mioA1 LYS 521 HA -0.05 0.03 0.25 -0.75 4.32 3.80 1mioA1 ALA 522 H -0.01 0.19 -0.02 -0.55 8.40 8.01 1mioA1 ALA 522 HA 0.02 0.06 0.96 -0.75 4.34 4.63 1mioA1 ALA 522 HB3 0.01 -0.01 0.16 -0.04 1.41 1.53 1mioA1 SER 523 H 0.05 0.13 -0.01 -0.55 8.46 8.09 1mioA1 SER 523 HA 0.05 0.11 0.17 -0.75 4.49 4.07 1mioA1 SER 524 H 0.07 0.01 0.20 -0.55 8.46 8.20 1mioA1 SER 524 HA 0.12 0.07 0.40 -0.75 4.49 4.32 1mioA1 GLU 525 H 0.05 0.18 0.18 -0.55 8.60 8.47 1mioA1 GLU 525 HA 0.03 0.13 0.33 -0.75 4.29 4.03 1mioA1 SER 526 H 0.04 0.07 -0.03 -0.55 8.46 7.99 1mioA1 SER 526 HA 0.02 0.12 0.17 -0.75 4.49 4.05