============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. TYR 15 0.840 19.880 27.961 46.153 -99.200 -91.000 PHE 16 1.000 18.932 31.353 53.754 -99.200 -91.000 TYR 30 0.840 27.167 20.782 61.029 -99.200 -91.000 PHE 38 1.000 20.931 26.102 56.590 -99.200 -91.000 PHE 59 1.000 40.146 12.583 39.054 -99.200 -91.000 PHE 61 1.000 35.593 11.710 42.421 -99.200 -91.000 TYR 68 0.840 25.183 13.718 45.284 -99.200 -91.000 TRP 70 1.040 23.617 14.784 56.164 -99.200 -91.000 TRP6 70 1.020 22.939 17.047 55.994 -99.200 -91.000 HIS 81 0.900 33.437 26.449 46.842 -99.200 -91.000 TRP 85 1.040 39.969 26.660 44.086 -99.200 -91.000 TRP6 85 1.020 39.554 27.771 46.136 -99.200 -91.000 HIS 86 0.900 44.003 31.705 44.183 -99.200 -91.000 TRP 92 1.040 48.397 16.088 42.209 -99.200 -91.000 TRP6 92 1.020 47.392 16.749 40.173 -99.200 -91.000 HIS 108 0.900 40.307 18.446 40.022 -99.200 -91.000 HIS 115 0.900 32.302 10.252 41.825 -99.200 -91.000 TYR 116 0.840 30.428 14.370 43.024 -99.200 -91.000 TRP 123 1.040 29.833 20.767 39.082 -99.200 -91.000 TRP6 123 1.020 31.418 20.257 40.759 -99.200 -91.000 HIS 128 0.900 38.572 32.667 46.042 -99.200 -91.000 PHE 130 1.000 38.378 39.128 36.907 -99.200 -91.000 TRP 150 1.040 42.915 31.121 33.833 -99.200 -91.000 TRP6 150 1.020 41.843 30.291 35.772 -99.200 -91.000 PHE 155 1.000 32.875 29.364 33.527 -99.200 -91.000 TYR 169 0.840 34.731 34.417 38.178 -99.200 -91.000 TYR 172 0.840 38.035 37.460 47.661 -99.200 -91.000 TRP 177 1.040 27.665 49.187 39.208 -99.200 -91.000 TRP6 177 1.020 27.864 47.336 37.748 -99.200 -91.000 TRP 179 1.040 34.441 48.197 46.371 -99.200 -91.000 TRP6 179 1.020 35.713 46.869 47.863 -99.200 -91.000 TYR 186 0.840 28.499 44.455 33.687 -99.200 -91.000 PHE 192 1.000 34.292 34.315 29.906 -99.200 -91.000 PHE 204 1.000 27.379 38.659 42.177 -99.200 -91.000 HIS 207 0.900 32.818 34.605 52.578 -99.200 -91.000 PHE 208 1.000 28.007 41.459 51.820 -99.200 -91.000 TYR 214 0.840 23.805 45.006 51.930 -99.200 -91.000 PHE 218 1.000 25.024 41.328 46.806 -99.200 -91.000 PHE 225 1.000 28.107 40.775 37.453 -99.200 -91.000 TYR 247 0.840 23.001 36.942 58.115 -99.200 -91.000 TRP 266 1.040 31.986 29.310 53.736 -99.200 -91.000 TRP6 266 1.020 31.436 28.060 51.799 -99.200 -91.000 TRP 274 1.040 34.990 31.739 56.606 -99.200 -91.000 TRP6 274 1.020 36.575 32.715 55.144 -99.200 -91.000 PHE 283 1.000 20.099 28.122 63.069 -99.200 -91.000 TYR 293 0.840 15.810 30.843 61.694 -99.200 -91.000 TYR 331 0.840 1.284 52.700 84.768 -99.200 -91.000 HIS 334 0.900 3.966 56.354 79.942 -99.200 -91.000 TRP 341 1.040 10.368 48.879 75.934 -99.200 -91.000 TRP6 341 1.020 11.956 48.094 77.496 -99.200 -91.000 TYR 343 0.840 14.428 43.113 67.523 -99.200 -91.000 TYR 352 0.840 15.122 54.216 81.062 -99.200 -91.000 TYR 371 0.840 23.178 43.582 84.495 -99.200 -91.000 TRP 374 1.040 25.933 41.698 79.652 -99.200 -91.000 TRP6 374 1.020 27.032 39.635 79.289 -99.200 -91.000 TRP 381 1.040 15.193 40.249 74.663 -99.200 -91.000 TRP6 381 1.020 14.133 38.890 76.287 -99.200 -91.000 TYR 414 0.840 5.053 29.589 82.490 -99.200 -91.000 TRP 424 1.040 4.650 40.501 74.316 -99.200 -91.000 TRP6 424 1.020 4.210 41.619 76.350 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2d23A1 ALA 1 HA -0.01 -0.14 0.20 -0.75 4.34 3.64 2d23A1 ALA 1 HB3 -0.00 -0.02 0.01 -0.04 1.41 1.36 2d23A1 GLU 2 H -0.01 -0.04 0.09 -0.55 8.60 8.09 2d23A1 GLU 2 HA -0.02 0.15 0.45 -0.75 4.29 4.12 2d23A1 GLU 2 HB2 -0.02 -0.02 0.17 -0.04 2.09 2.18 2d23A1 GLU 2 HB3 -0.01 0.28 -0.08 -0.04 1.99 2.13 2d23A1 GLU 2 HG2 -0.01 -0.03 -0.23 -0.04 2.34 2.03 2d23A1 GLU 2 HG3 -0.01 -0.08 -0.11 -0.04 2.34 2.10 2d23A1 SER 3 H -0.00 0.06 0.12 -0.55 8.46 8.10 2d23A1 SER 3 HA 0.01 0.21 0.82 -0.75 4.49 4.78 2d23A1 SER 3 HB2 0.01 -0.01 0.13 -0.04 3.95 4.04 2d23A1 SER 3 HB3 0.00 0.00 0.04 -0.04 3.93 3.94 2d23A1 THR 4 H -0.01 0.10 -0.07 -0.55 8.28 7.75 2d23A1 THR 4 HA 0.07 0.19 0.86 -0.75 4.39 4.75 2d23A1 THR 4 HB -0.04 0.06 0.14 -0.04 4.32 4.44 2d23A1 THR 4 HG23 -0.00 0.01 -0.16 -0.04 1.22 1.03 2d23A1 LEU 5 H -0.09 0.15 0.17 -0.55 8.37 8.05 2d23A1 LEU 5 HA -0.28 0.06 0.33 -0.75 4.35 3.70 2d23A1 LEU 5 HB2 -0.31 0.26 0.22 -0.04 1.64 1.77 2d23A1 LEU 5 HB3 -0.86 -0.01 0.03 -0.04 1.64 0.75 2d23A1 LEU 5 HG -0.27 -0.04 0.11 -0.04 1.64 1.40 2d23A1 LEU 5 HD13 -0.43 -0.01 -0.01 -0.04 0.93 0.44 2d23A1 LEU 5 HD23 -0.90 0.01 -0.05 -0.04 0.89 -0.10 2d23A1 GLY 6 H -0.03 0.60 0.09 -0.55 8.43 8.54 2d23A1 GLY 6 HA2 0.20 -0.09 0.48 -0.51 4.01 4.10 2d23A1 GLY 6 HA3 0.10 0.10 0.26 -0.51 4.01 3.96 2d23A1 ALA 7 H 0.00 0.07 -0.25 -0.55 8.40 7.67 2d23A1 ALA 7 HA 0.02 0.10 0.36 -0.75 4.34 4.06 2d23A1 ALA 7 HB3 -0.00 -0.01 -0.05 -0.04 1.41 1.30 2d23A1 ALA 8 H -0.02 0.38 -0.27 -0.55 8.40 7.93 2d23A1 ALA 8 HA -0.01 0.22 0.49 -0.75 4.34 4.29 2d23A1 ALA 8 HB3 -0.06 -0.03 -0.03 -0.04 1.41 1.25 2d23A1 ALA 9 H 0.04 0.51 -0.11 -0.55 8.40 8.28 2d23A1 ALA 9 HA 0.04 0.04 0.39 -0.75 4.34 4.06 2d23A1 ALA 9 HB3 0.15 -0.02 -0.17 -0.04 1.41 1.33 2d23A1 ALA 10 H 0.05 0.44 -0.25 -0.55 8.40 8.09 2d23A1 ALA 10 HA 0.05 0.16 0.46 -0.75 4.34 4.25 2d23A1 ALA 10 HB3 0.04 0.03 0.13 -0.04 1.41 1.57 2d23A1 GLN 11 H 0.01 0.41 -0.53 -0.55 8.47 7.82 2d23A1 GLN 11 HA 0.01 -0.01 0.44 -0.75 4.36 4.04 2d23A1 GLN 11 HB2 0.00 0.30 0.18 -0.04 2.15 2.58 2d23A1 GLN 11 HB3 -0.00 -0.11 0.09 -0.04 2.02 1.96 2d23A1 GLN 11 HG2 -0.00 -0.12 0.10 -0.04 2.40 2.34 2d23A1 GLN 11 HG3 0.00 0.20 0.20 -0.04 2.39 2.75 2d23A1 GLN 11 HE21 -0.01 -0.17 0.07 -0.04 6.97 6.82 2d23A1 GLN 11 HE22 -0.01 0.43 0.20 -0.04 7.69 8.27 2d23A1 SER 12 H 0.01 0.47 -0.30 -0.55 8.46 8.10 2d23A1 SER 12 HA 0.00 0.15 0.91 -0.75 4.49 4.80 2d23A1 SER 12 HB2 -0.00 -0.03 0.19 -0.04 3.95 4.06 2d23A1 SER 12 HB3 -0.00 -0.00 0.03 -0.04 3.93 3.91 2d23A1 GLY 13 H 0.02 0.50 -0.29 -0.55 8.43 8.12 2d23A1 GLY 13 HA2 0.03 0.01 0.36 -0.51 4.01 3.89 2d23A1 GLY 13 HA3 0.02 0.01 0.47 -0.51 4.01 4.00 2d23A1 ARG 14 H 0.02 0.30 -0.16 -0.55 8.46 8.07 2d23A1 ARG 14 HA -0.01 0.33 0.96 -0.75 4.34 4.87 2d23A1 ARG 14 HB2 -0.03 -0.02 -0.02 -0.04 1.90 1.79 2d23A1 ARG 14 HB3 -0.18 -0.20 0.16 -0.04 1.80 1.54 2d23A1 ARG 14 HG2 -0.07 0.17 -0.11 -0.04 1.67 1.62 2d23A1 ARG 14 HG3 -0.03 0.09 -0.29 -0.04 1.67 1.41 2d23A1 ARG 14 HD2 -0.04 -0.12 -0.10 -0.04 3.22 2.92 2d23A1 ARG 14 HD3 -0.10 -0.22 -0.21 -0.04 3.22 2.65 2d23A1 TYR 15 H -0.39 0.25 0.34 -0.55 8.29 7.94 2d23A1 TYR 15 HA 0.09 0.23 0.78 -0.75 4.56 4.91 2d23A1 TYR 15 HB2 0.06 -0.11 -0.12 -0.04 3.06 2.86 2d23A1 TYR 15 HB3 0.04 0.15 -0.17 -0.04 2.98 2.95 2d23A1 TYR 15 HD2 0.01 0.05 -0.38 -0.04 7.15 6.78 2d23A1 TYR 15 HE2 -0.03 -0.01 -0.41 -0.04 6.85 6.36 2d23A1 PHE 16 H 0.39 0.19 0.13 -0.55 8.34 8.50 2d23A1 PHE 16 HA 0.20 0.31 0.89 -0.75 4.62 5.27 2d23A1 PHE 16 HB2 0.09 0.11 -0.17 -0.04 3.15 3.14 2d23A1 PHE 16 HB3 0.18 -0.08 0.00 -0.04 3.06 3.12 2d23A1 PHE 16 HD2 0.29 0.03 -0.08 -0.04 7.28 7.48 2d23A1 PHE 16 HE2 0.21 -0.04 -0.03 -0.04 7.38 7.48 2d23A1 PHE 16 HZ 0.16 -0.08 -0.08 -0.04 7.32 7.28 2d23A1 GLY 17 H 0.03 0.60 0.31 -0.55 8.43 8.83 2d23A1 GLY 17 HA2 0.28 0.12 1.15 -0.51 4.01 5.05 2d23A1 GLY 17 HA3 0.06 0.03 0.31 -0.51 4.01 3.91 2d23A1 THR 18 H -0.22 0.52 0.35 -0.55 8.28 8.38 2d23A1 THR 18 HA -0.31 0.38 0.86 -0.75 4.39 4.57 2d23A1 THR 18 HB -2.14 0.05 -0.17 -0.04 4.32 2.02 2d23A1 THR 18 HG23 -0.48 -0.01 -0.23 -0.04 1.22 0.47 2d23A1 ALA 19 H -0.38 0.03 0.24 -0.55 8.40 7.75 2d23A1 ALA 19 HA -0.44 0.29 0.87 -0.75 4.34 4.31 2d23A1 ALA 19 HB3 -1.30 -0.01 -0.05 -0.04 1.41 -0.00 2d23A1 ILE 20 H -0.24 0.67 0.29 -0.55 8.25 8.42 2d23A1 ILE 20 HA -0.12 0.16 0.92 -0.75 4.18 4.39 2d23A1 ILE 20 HB -0.12 -0.00 0.00 -0.04 1.89 1.73 2d23A1 ILE 20 HG12 -0.12 -0.02 -0.30 -0.04 1.49 1.00 2d23A1 ILE 20 HG13 -0.03 0.11 -0.15 -0.04 1.21 1.10 2d23A1 ILE 20 HG23 -0.29 -0.02 -0.32 -0.04 0.93 0.26 2d23A1 ILE 20 HD13 -0.37 0.02 -0.13 -0.04 0.88 0.36 2d23A1 ALA 21 H -0.06 0.25 0.12 -0.55 8.40 8.17 2d23A1 ALA 21 HA -0.13 0.04 0.89 -0.75 4.34 4.38 2d23A1 ALA 21 HB3 -0.19 0.04 0.07 -0.04 1.41 1.29 2d23A1 SER 22 H -0.08 0.15 0.15 -0.55 8.46 8.13 2d23A1 SER 22 HA -0.12 0.15 0.33 -0.75 4.49 4.10 2d23A1 SER 22 HB2 -0.02 0.10 0.05 -0.04 3.95 4.04 2d23A1 SER 22 HB3 -0.01 0.07 0.14 -0.04 3.93 4.08 2d23A1 GLY 23 H -0.10 0.04 -0.25 -0.55 8.43 7.57 2d23A1 GLY 23 HA2 -0.08 0.13 0.36 -0.51 4.01 3.92 2d23A1 GLY 23 HA3 -0.10 0.05 0.27 -0.51 4.01 3.71 2d23A1 LYS 24 H -0.28 0.48 -0.49 -0.55 8.42 7.58 2d23A1 LYS 24 HA -0.29 0.20 0.92 -0.75 4.32 4.40 2d23A1 LYS 24 HB2 -1.15 0.09 0.08 -0.04 1.87 0.85 2d23A1 LYS 24 HB3 -1.26 -0.05 0.17 -0.04 1.79 0.61 2d23A1 LYS 24 HG2 -0.35 0.08 -0.10 -0.04 1.46 1.04 2d23A1 LYS 24 HG3 -0.37 -0.10 -0.11 -0.04 1.46 0.84 2d23A1 LYS 24 HD2 -0.68 -0.04 0.05 -0.04 1.69 0.98 2d23A1 LYS 24 HD3 -0.61 -0.03 0.03 -0.04 1.68 1.03 2d23A1 LYS 24 HE2 -0.12 -0.02 0.05 -0.04 2.99 2.85 2d23A1 LYS 24 HE3 -0.17 0.04 -0.02 -0.04 2.99 2.81 2d23A1 LEU 25 H -0.20 0.44 -0.12 -0.55 8.37 7.94 2d23A1 LEU 25 HA -0.21 0.07 0.39 -0.75 4.35 3.85 2d23A1 LEU 25 HB2 -0.13 0.11 0.08 -0.04 1.64 1.66 2d23A1 LEU 25 HB3 -0.18 0.05 0.08 -0.04 1.64 1.55 2d23A1 LEU 25 HG -0.27 -0.06 0.02 -0.04 1.64 1.29 2d23A1 LEU 25 HD13 -0.16 0.00 -0.07 -0.04 0.93 0.67 2d23A1 LEU 25 HD23 -1.05 -0.01 -0.10 -0.04 0.89 -0.30 2d23A1 GLY 26 H -0.10 0.06 -0.64 -0.55 8.43 7.21 2d23A1 GLY 26 HA2 -0.00 0.20 0.61 -0.51 4.01 4.30 2d23A1 GLY 26 HA3 -0.03 0.02 0.21 -0.51 4.01 3.70 2d23A1 ASP 27 H -0.07 0.47 -0.28 -0.55 8.40 7.97 2d23A1 ASP 27 HA -0.01 0.09 0.66 -0.75 4.63 4.62 2d23A1 ASP 27 HB2 -0.10 0.03 0.14 -0.04 2.71 2.75 2d23A1 ASP 27 HB3 -0.05 0.14 0.29 -0.04 2.70 3.05 2d23A1 SER 28 H 0.02 0.25 0.17 -0.55 8.46 8.36 2d23A1 SER 28 HA 0.06 0.14 0.31 -0.75 4.49 4.24 2d23A1 SER 28 HB2 0.02 -0.05 0.12 -0.04 3.95 4.00 2d23A1 SER 28 HB3 0.03 0.05 -0.01 -0.04 3.93 3.96 2d23A1 ALA 29 H 0.03 0.08 -0.11 -0.55 8.40 7.86 2d23A1 ALA 29 HA 0.01 0.14 0.44 -0.75 4.34 4.18 2d23A1 ALA 29 HB3 0.02 0.02 0.04 -0.04 1.41 1.45 2d23A1 TYR 30 H 0.13 0.06 -0.30 -0.55 8.29 7.62 2d23A1 TYR 30 HA -0.07 0.00 0.42 -0.75 4.56 4.15 2d23A1 TYR 30 HB2 -0.07 -0.08 0.12 -0.04 3.06 2.98 2d23A1 TYR 30 HB3 -0.09 0.31 0.21 -0.04 2.98 3.37 2d23A1 TYR 30 HD2 -0.16 0.06 -0.08 -0.04 7.15 6.92 2d23A1 TYR 30 HE2 -0.27 -0.05 -0.02 -0.04 6.85 6.47 2d23A1 THR 31 H 0.13 0.63 0.00 -0.55 8.28 8.50 2d23A1 THR 31 HA -0.01 -0.02 0.40 -0.75 4.39 4.01 2d23A1 THR 31 HB 0.39 0.03 0.02 -0.04 4.32 4.71 2d23A1 THR 31 HG23 -0.02 0.05 0.01 -0.04 1.22 1.22 2d23A1 THR 32 H 0.03 0.40 -0.39 -0.55 8.28 7.78 2d23A1 THR 32 HA 0.03 0.06 0.41 -0.75 4.39 4.15 2d23A1 THR 32 HB -0.02 0.06 0.17 -0.04 4.32 4.49 2d23A1 THR 32 HG23 -0.02 -0.01 -0.10 -0.04 1.22 1.04 2d23A1 ILE 33 H -0.11 0.37 -0.15 -0.55 8.25 7.81 2d23A1 ILE 33 HA -0.20 0.08 0.49 -0.75 4.18 3.79 2d23A1 ILE 33 HB -0.33 0.04 0.18 -0.04 1.89 1.74 2d23A1 ILE 33 HG12 -0.32 0.02 0.04 -0.04 1.49 1.19 2d23A1 ILE 33 HG13 -0.17 0.09 0.11 -0.04 1.21 1.20 2d23A1 ILE 33 HG23 -0.97 -0.02 -0.14 -0.04 0.93 -0.24 2d23A1 ILE 33 HD13 -0.26 -0.04 -0.00 -0.04 0.88 0.54 2d23A1 ALA 34 H -0.17 0.55 0.02 -0.55 8.40 8.25 2d23A1 ALA 34 HA 0.32 -0.04 0.33 -0.75 4.34 4.20 2d23A1 ALA 34 HB3 -0.13 -0.02 0.02 -0.04 1.41 1.24 2d23A1 SER 35 H 0.23 0.58 -0.15 -0.55 8.46 8.58 2d23A1 SER 35 HA 0.03 0.12 0.48 -0.75 4.49 4.36 2d23A1 SER 35 HB2 -0.12 0.04 0.08 -0.04 3.95 3.91 2d23A1 SER 35 HB3 0.15 -0.08 0.11 -0.04 3.93 4.07 2d23A1 ARG 36 H -0.00 0.23 -0.32 -0.55 8.46 7.82 2d23A1 ARG 36 HA -0.04 0.11 0.53 -0.75 4.34 4.19 2d23A1 ARG 36 HB2 -0.03 0.02 0.15 -0.04 1.90 1.99 2d23A1 ARG 36 HB3 -0.07 0.07 0.23 -0.04 1.80 1.99 2d23A1 ARG 36 HG2 -0.04 -0.06 -0.24 -0.04 1.67 1.29 2d23A1 ARG 36 HG3 -0.03 -0.03 0.03 -0.04 1.67 1.61 2d23A1 ARG 36 HD2 -0.03 -0.05 -0.02 -0.04 3.22 3.09 2d23A1 ARG 36 HD3 -0.04 0.02 0.01 -0.04 3.22 3.17 2d23A1 GLU 37 H -0.15 0.54 0.02 -0.55 8.60 8.47 2d23A1 GLU 37 HA -0.16 0.04 0.81 -0.75 4.29 4.23 2d23A1 GLU 37 HB2 -0.91 0.07 0.04 -0.04 2.09 1.25 2d23A1 GLU 37 HB3 -0.56 -0.15 0.09 -0.04 1.99 1.32 2d23A1 GLU 37 HG2 -0.16 0.14 0.08 -0.04 2.34 2.35 2d23A1 GLU 37 HG3 -0.04 -0.08 0.02 -0.04 2.34 2.21 2d23A1 PHE 38 H 0.04 0.47 -0.03 -0.55 8.34 8.26 2d23A1 PHE 38 HA 0.17 0.19 1.17 -0.75 4.62 5.40 2d23A1 PHE 38 HB2 0.11 0.10 0.07 -0.04 3.15 3.40 2d23A1 PHE 38 HB3 0.14 -0.05 0.25 -0.04 3.06 3.36 2d23A1 PHE 38 HD2 0.24 0.14 -0.18 -0.04 7.28 7.44 2d23A1 PHE 38 HE2 0.22 -0.06 -0.12 -0.04 7.38 7.38 2d23A1 PHE 38 HZ 0.28 -0.04 -0.03 -0.04 7.32 7.48 2d23A1 ASN 39 H 0.28 0.36 0.32 -0.55 8.53 8.95 2d23A1 ASN 39 HA 0.06 0.38 0.92 -0.75 4.76 5.37 2d23A1 ASN 39 HB2 0.05 0.10 0.27 -0.04 2.88 3.26 2d23A1 ASN 39 HB3 0.06 0.07 -0.03 -0.04 2.79 2.85 2d23A1 ASN 39 HD21 0.13 0.21 0.09 -0.04 7.03 7.42 2d23A1 ASN 39 HD22 0.07 0.05 -0.07 -0.04 7.74 7.75 2d23A1 MET 40 H 0.15 0.22 0.06 -0.55 8.47 8.36 2d23A1 MET 40 HA -0.13 0.19 0.61 -0.75 4.52 4.44 2d23A1 MET 40 HB2 -0.41 0.10 -0.26 -0.04 2.15 1.55 2d23A1 MET 40 HB3 -0.05 -0.13 -0.21 -0.04 2.03 1.59 2d23A1 MET 40 HG2 -0.95 -0.02 -0.30 -0.04 2.63 1.33 2d23A1 MET 40 HG3 -0.27 -0.03 -0.42 -0.04 2.56 1.80 2d23A1 MET 40 HE3 -0.71 0.02 -0.18 -0.04 2.10 1.19 2d23A1 VAL 41 H -0.11 0.61 0.16 -0.55 8.24 8.36 2d23A1 VAL 41 HA -0.07 0.22 1.06 -0.75 4.13 4.59 2d23A1 VAL 41 HB 0.01 0.14 -0.02 -0.04 2.12 2.21 2d23A1 VAL 41 HG13 0.02 -0.05 -0.31 -0.04 0.97 0.58 2d23A1 VAL 41 HG23 0.21 -0.00 -0.28 -0.04 0.95 0.83 2d23A1 THR 42 H -0.14 0.48 0.34 -0.55 8.28 8.41 2d23A1 THR 42 HA -0.11 0.30 0.93 -0.75 4.39 4.76 2d23A1 THR 42 HB -0.10 -0.07 -0.02 -0.04 4.32 4.10 2d23A1 THR 42 HG23 -0.00 0.07 -0.21 -0.04 1.22 1.04 2d23A1 ALA 43 H -0.05 0.27 0.11 -0.55 8.40 8.18 2d23A1 ALA 43 HA -0.07 0.13 0.64 -0.75 4.34 4.29 2d23A1 ALA 43 HB3 0.03 -0.02 0.09 -0.04 1.41 1.48 2d23A1 GLU 44 H -0.17 0.54 0.27 -0.55 8.60 8.69 2d23A1 GLU 44 HA -0.34 0.13 0.29 -0.75 4.29 3.61 2d23A1 GLU 44 HB2 -0.45 0.01 -0.17 -0.04 2.09 1.43 2d23A1 GLU 44 HB3 -0.17 -0.11 -0.00 -0.04 1.99 1.66 2d23A1 GLU 44 HG2 -0.05 -0.00 -0.15 -0.04 2.34 2.10 2d23A1 GLU 44 HG3 -0.53 0.03 -0.02 -0.04 2.34 1.77 2d23A1 ASN 45 H 0.03 -0.24 -0.07 -0.55 8.53 7.70 2d23A1 ASN 45 HA 0.18 0.26 0.69 -0.75 4.76 5.13 2d23A1 ASN 45 HB2 0.05 -0.07 -0.04 -0.04 2.88 2.78 2d23A1 ASN 45 HB3 0.10 0.02 0.01 -0.04 2.79 2.88 2d23A1 ASN 45 HD21 0.06 0.06 -0.15 -0.04 7.03 6.95 2d23A1 ASN 45 HD22 0.02 -0.10 -0.15 -0.04 7.74 7.46 2d23A1 GLU 46 H 0.06 -0.13 0.08 -0.55 8.60 8.06 2d23A1 GLU 46 HA 0.11 0.10 0.28 -0.75 4.29 4.03 2d23A1 GLU 46 HB2 0.08 0.02 0.01 -0.04 2.09 2.16 2d23A1 GLU 46 HB3 0.12 -0.01 -0.43 -0.04 1.99 1.64 2d23A1 GLU 46 HG2 0.05 0.19 0.01 -0.04 2.34 2.54 2d23A1 GLU 46 HG3 0.05 0.03 0.02 -0.04 2.34 2.40 2d23A1 MET 47 H 0.16 0.12 -0.42 -0.55 8.47 7.77 2d23A1 MET 47 HA 0.30 0.24 0.96 -0.75 4.52 5.26 2d23A1 MET 47 HB2 0.14 0.08 0.04 -0.04 2.15 2.37 2d23A1 MET 47 HB3 0.33 -0.01 -0.00 -0.04 2.03 2.30 2d23A1 MET 47 HG2 0.26 0.07 -0.06 -0.04 2.63 2.86 2d23A1 MET 47 HG3 0.11 -0.16 -0.21 -0.04 2.56 2.26 2d23A1 MET 47 HE3 -0.26 0.00 -0.09 -0.04 2.10 1.72 2d23A1 LYS 48 H 0.19 0.33 -0.07 -0.55 8.42 8.32 2d23A1 LYS 48 HA 0.21 0.06 0.67 -0.75 4.32 4.51 2d23A1 LYS 48 HB2 0.19 0.06 0.15 -0.04 1.87 2.23 2d23A1 LYS 48 HB3 0.32 -0.02 0.14 -0.04 1.79 2.19 2d23A1 LYS 48 HG2 0.10 -0.04 -0.06 -0.04 1.46 1.41 2d23A1 LYS 48 HG3 0.17 0.01 -0.04 -0.04 1.46 1.55 2d23A1 LYS 48 HD2 0.23 -0.05 0.12 -0.04 1.69 1.95 2d23A1 LYS 48 HD3 0.46 -0.04 -0.00 -0.04 1.68 2.05 2d23A1 LYS 48 HE2 0.17 -0.08 -0.09 -0.04 2.99 2.95 2d23A1 LYS 48 HE3 0.32 0.19 -0.02 -0.04 2.99 3.45 2d23A1 ILE 49 H 0.31 0.17 0.15 -0.55 8.25 8.33 2d23A1 ILE 49 HA 0.20 0.13 0.36 -0.75 4.18 4.11 2d23A1 ILE 49 HB -0.10 0.03 0.14 -0.04 1.89 1.92 2d23A1 ILE 49 HG12 -0.08 0.17 0.07 -0.04 1.49 1.60 2d23A1 ILE 49 HG13 0.30 -0.03 0.08 -0.04 1.21 1.52 2d23A1 ILE 49 HG23 -0.60 0.00 -0.05 -0.04 0.93 0.24 2d23A1 ILE 49 HD13 0.05 -0.03 -0.02 -0.04 0.88 0.85 2d23A1 ASP 50 H 0.01 0.33 0.01 -0.55 8.40 8.20 2d23A1 ASP 50 HA -0.02 0.08 0.31 -0.75 4.63 4.25 2d23A1 ASP 50 HB2 -0.03 -0.05 -0.06 -0.04 2.71 2.52 2d23A1 ASP 50 HB3 -0.10 0.09 -0.25 -0.04 2.70 2.40 2d23A1 ALA 51 H 0.11 0.10 -0.44 -0.55 8.40 7.63 2d23A1 ALA 51 HA 0.07 0.05 0.50 -0.75 4.34 4.21 2d23A1 ALA 51 HB3 0.12 -0.02 -0.03 -0.04 1.41 1.44 2d23A1 THR 52 H 0.21 0.36 -0.23 -0.55 8.28 8.08 2d23A1 THR 52 HA 0.04 0.37 0.90 -0.75 4.39 4.94 2d23A1 THR 52 HB 0.31 -0.09 -0.00 -0.04 4.32 4.49 2d23A1 THR 52 HG23 0.39 -0.01 -0.07 -0.04 1.22 1.48 2d23A1 GLU 53 H 0.21 0.51 -0.13 -0.55 8.60 8.64 2d23A1 GLU 53 HA -0.09 0.26 0.78 -0.75 4.29 4.49 2d23A1 GLU 53 HB2 0.31 0.02 -0.17 -0.04 2.09 2.21 2d23A1 GLU 53 HB3 0.41 0.01 0.09 -0.04 1.99 2.46 2d23A1 GLU 53 HG2 0.34 -0.11 -0.27 -0.04 2.34 2.25 2d23A1 GLU 53 HG3 -0.60 0.13 -0.21 -0.04 2.34 1.62 2d23A1 PRO 54 HA 0.17 -0.00 0.51 -0.51 4.44 4.61 2d23A1 PRO 54 HB2 0.04 -0.06 0.01 -0.04 2.28 2.23 2d23A1 PRO 54 HB3 0.04 0.06 0.13 -0.04 2.02 2.22 2d23A1 PRO 54 HG2 -0.04 0.03 0.05 -0.04 2.03 2.02 2d23A1 PRO 54 HG3 -0.02 -0.02 0.00 -0.04 2.03 1.95 2d23A1 PRO 54 HD2 -0.06 0.29 0.03 -0.04 3.68 3.90 2d23A1 PRO 54 HD3 0.02 0.17 -0.23 -0.04 3.65 3.57 2d23A1 GLN 55 H -0.10 0.45 -0.16 -0.55 8.47 8.12 2d23A1 GLN 55 HA -0.38 0.04 0.81 -0.75 4.36 4.09 2d23A1 GLN 55 HB2 -0.21 0.03 0.04 -0.04 2.15 1.96 2d23A1 GLN 55 HB3 -0.29 0.04 -0.01 -0.04 2.02 1.72 2d23A1 GLN 55 HG2 -0.09 0.01 -0.04 -0.04 2.40 2.24 2d23A1 GLN 55 HG3 -0.04 0.03 -0.04 -0.04 2.39 2.29 2d23A1 GLN 55 HE21 -0.04 0.01 -0.07 -0.04 6.97 6.83 2d23A1 GLN 55 HE22 -0.09 0.04 -0.06 -0.04 7.69 7.54 2d23A1 ARG 56 H -2.00 0.07 0.06 -0.55 8.46 6.04 2d23A1 ARG 56 HA -1.83 0.04 0.31 -0.75 4.34 2.11 2d23A1 ARG 56 HB2 -2.01 -0.03 0.08 -0.04 1.90 -0.10 2d23A1 ARG 56 HB3 -0.78 0.01 0.08 -0.04 1.80 1.07 2d23A1 ARG 56 HG2 -0.45 0.05 -0.19 -0.04 1.67 1.03 2d23A1 ARG 56 HG3 -0.77 -0.00 0.01 -0.04 1.67 0.87 2d23A1 ARG 56 HD2 -0.04 -0.01 -0.04 -0.04 3.22 3.08 2d23A1 ARG 56 HD3 -0.19 0.00 -0.04 -0.04 3.22 2.95 2d23A1 GLY 57 H -0.63 0.14 0.12 -0.55 8.43 7.50 2d23A1 GLY 57 HA2 -0.29 0.01 0.34 -0.51 4.01 3.57 2d23A1 GLY 57 HA3 -0.26 0.08 0.44 -0.51 4.01 3.76 2d23A1 GLN 58 H -0.54 0.69 -0.56 -0.55 8.47 7.51 2d23A1 GLN 58 HA -0.18 0.13 0.83 -0.75 4.36 4.38 2d23A1 GLN 58 HB2 -0.25 -0.11 0.17 -0.04 2.15 1.92 2d23A1 GLN 58 HB3 -0.15 -0.03 0.01 -0.04 2.02 1.81 2d23A1 GLN 58 HG2 -0.30 0.24 -0.35 -0.04 2.40 1.95 2d23A1 GLN 58 HG3 -0.19 -0.10 -0.10 -0.04 2.39 1.95 2d23A1 GLN 58 HE21 -0.08 -0.01 -0.04 -0.04 6.97 6.80 2d23A1 GLN 58 HE22 -0.11 -0.06 -0.05 -0.04 7.69 7.43 2d23A1 PHE 59 H -0.04 0.19 0.03 -0.55 8.34 7.97 2d23A1 PHE 59 HA -0.23 0.28 0.86 -0.75 4.62 4.78 2d23A1 PHE 59 HB2 -0.18 -0.04 0.09 -0.04 3.15 2.98 2d23A1 PHE 59 HB3 -1.04 0.02 -0.01 -0.04 3.06 1.99 2d23A1 PHE 59 HD2 -0.07 0.13 -0.08 -0.04 7.28 7.22 2d23A1 PHE 59 HE2 0.05 0.01 -0.03 -0.04 7.38 7.37 2d23A1 PHE 59 HZ 0.07 0.08 -0.07 -0.04 7.32 7.37 2d23A1 ASN 60 H -0.31 0.78 0.22 -0.55 8.53 8.67 2d23A1 ASN 60 HA -0.17 0.09 0.90 -0.75 4.76 4.83 2d23A1 ASN 60 HB2 -0.08 0.05 -0.09 -0.04 2.88 2.72 2d23A1 ASN 60 HB3 -0.06 0.17 0.21 -0.04 2.79 3.07 2d23A1 ASN 60 HD21 0.00 -0.04 0.03 -0.04 7.03 6.98 2d23A1 ASN 60 HD22 -0.02 0.05 0.01 -0.04 7.74 7.74 2d23A1 PHE 61 H -0.09 0.23 0.08 -0.55 8.34 8.01 2d23A1 PHE 61 HA 0.07 0.22 0.88 -0.75 4.62 5.04 2d23A1 PHE 61 HB2 -0.31 0.06 0.07 -0.04 3.15 2.92 2d23A1 PHE 61 HB3 -0.09 -0.04 0.16 -0.04 3.06 3.04 2d23A1 PHE 61 HD2 -0.28 -0.02 -0.02 -0.04 7.28 6.91 2d23A1 PHE 61 HE2 -0.17 0.01 -0.04 -0.04 7.38 7.13 2d23A1 PHE 61 HZ -0.63 0.06 -0.24 -0.04 7.32 6.46 2d23A1 SER 62 H 0.07 0.16 -0.21 -0.55 8.46 7.93 2d23A1 SER 62 HA 0.13 0.13 0.39 -0.75 4.49 4.38 2d23A1 SER 62 HB2 0.06 0.06 0.11 -0.04 3.95 4.13 2d23A1 SER 62 HB3 0.06 -0.03 0.13 -0.04 3.93 4.04 2d23A1 ALA 63 H 0.10 0.21 -0.02 -0.55 8.40 8.15 2d23A1 ALA 63 HA 0.09 0.09 0.47 -0.75 4.34 4.23 2d23A1 ALA 63 HB3 0.08 0.02 0.09 -0.04 1.41 1.56 2d23A1 GLY 64 H 0.22 0.17 -0.25 -0.55 8.43 8.03 2d23A1 GLY 64 HA2 0.20 -0.09 0.31 -0.51 4.01 3.92 2d23A1 GLY 64 HA3 0.37 0.18 0.22 -0.51 4.01 4.28 2d23A1 ASP 65 H 0.32 0.71 -0.13 -0.55 8.40 8.75 2d23A1 ASP 65 HA 0.44 0.05 0.43 -0.75 4.63 4.79 2d23A1 ASP 65 HB2 0.24 0.12 0.13 -0.04 2.71 3.16 2d23A1 ASP 65 HB3 0.25 -0.03 -0.00 -0.04 2.70 2.87 2d23A1 ARG 66 H 0.18 0.34 -0.30 -0.55 8.46 8.14 2d23A1 ARG 66 HA 0.15 0.07 0.41 -0.75 4.34 4.22 2d23A1 ARG 66 HB2 0.11 0.19 0.18 -0.04 1.90 2.34 2d23A1 ARG 66 HB3 0.09 -0.04 0.08 -0.04 1.80 1.89 2d23A1 ARG 66 HG2 0.07 -0.03 -0.02 -0.04 1.67 1.64 2d23A1 ARG 66 HG3 0.10 0.03 0.06 -0.04 1.67 1.82 2d23A1 ARG 66 HD2 0.05 0.01 -0.02 -0.04 3.22 3.21 2d23A1 ARG 66 HD3 0.07 0.03 -0.01 -0.04 3.22 3.26 2d23A1 VAL 67 H 0.15 0.36 -0.26 -0.55 8.24 7.94 2d23A1 VAL 67 HA 0.11 0.03 0.41 -0.75 4.13 3.93 2d23A1 VAL 67 HB 0.10 0.16 0.14 -0.04 2.12 2.48 2d23A1 VAL 67 HG13 0.03 -0.02 -0.21 -0.04 0.97 0.73 2d23A1 VAL 67 HG23 0.01 -0.01 0.02 -0.04 0.95 0.93 2d23A1 TYR 68 H 0.26 0.57 -0.03 -0.55 8.29 8.54 2d23A1 TYR 68 HA 0.02 0.01 0.31 -0.75 4.56 4.14 2d23A1 TYR 68 HB2 -0.04 -0.03 0.04 -0.04 3.06 2.99 2d23A1 TYR 68 HB3 0.18 0.01 0.14 -0.04 2.98 3.27 2d23A1 TYR 68 HD2 -0.01 -0.04 -0.11 -0.04 7.15 6.95 2d23A1 TYR 68 HE2 -0.01 0.14 -0.02 -0.04 6.85 6.92 2d23A1 ASN 69 H 0.24 0.73 -0.19 -0.55 8.53 8.76 2d23A1 ASN 69 HA -0.12 0.05 0.42 -0.75 4.76 4.35 2d23A1 ASN 69 HB2 0.15 0.04 0.10 -0.04 2.88 3.13 2d23A1 ASN 69 HB3 0.08 -0.04 -0.01 -0.04 2.79 2.78 2d23A1 ASN 69 HD21 0.26 -0.01 -0.02 -0.04 7.03 7.22 2d23A1 ASN 69 HD22 0.17 0.00 -0.01 -0.04 7.74 7.86 2d23A1 TRP 70 H 0.25 0.39 -0.25 -0.55 7.97 7.81 2d23A1 TRP 70 HA -0.03 0.01 0.34 -0.75 4.62 4.19 2d23A1 TRP 70 HB2 0.01 0.05 0.14 -0.04 3.23 3.38 2d23A1 TRP 70 HB3 -0.02 0.04 0.11 -0.04 3.23 3.33 2d23A1 TRP 70 HD1 0.01 -0.00 0.00 -0.04 7.22 7.19 2d23A1 TRP 70 HE1 0.01 -0.00 -0.02 -0.04 10.20 10.15 2d23A1 TRP 70 HE3 -0.04 0.05 -0.31 -0.04 7.59 7.25 2d23A1 TRP 70 HZ2 -0.03 0.02 -0.00 -0.04 7.44 7.39 2d23A1 TRP 70 HZ3 -0.04 -0.00 -0.21 -0.04 7.13 6.83 2d23A1 TRP 70 HH2 -0.03 -0.04 -0.44 -0.04 7.19 6.64 2d23A1 ALA 71 H 0.16 0.52 -0.27 -0.55 8.40 8.27 2d23A1 ALA 71 HA -0.12 -0.01 0.28 -0.75 4.34 3.74 2d23A1 ALA 71 HB3 -0.03 0.02 -0.05 -0.04 1.41 1.31 2d23A1 VAL 72 H -0.38 0.52 0.01 -0.55 8.24 7.84 2d23A1 VAL 72 HA -0.22 0.16 0.41 -0.75 4.13 3.73 2d23A1 VAL 72 HB -0.36 -0.01 0.12 -0.04 2.12 1.84 2d23A1 VAL 72 HG13 -0.12 -0.01 -0.08 -0.04 0.97 0.71 2d23A1 VAL 72 HG23 -0.61 0.03 0.07 -0.04 0.95 0.40 2d23A1 GLN 73 H -0.23 0.65 -0.18 -0.55 8.47 8.17 2d23A1 GLN 73 HA -0.15 -0.01 0.42 -0.75 4.36 3.87 2d23A1 GLN 73 HB2 -0.23 0.09 0.09 -0.04 2.15 2.07 2d23A1 GLN 73 HB3 -0.16 -0.09 0.05 -0.04 2.02 1.78 2d23A1 GLN 73 HG2 -0.09 0.16 0.09 -0.04 2.40 2.52 2d23A1 GLN 73 HG3 -0.05 -0.12 -0.04 -0.04 2.39 2.15 2d23A1 GLN 73 HE21 -0.02 -0.03 -0.01 -0.04 6.97 6.87 2d23A1 GLN 73 HE22 -0.01 -0.02 -0.01 -0.04 7.69 7.60 2d23A1 ASN 74 H -0.43 0.40 -0.50 -0.55 8.53 7.45 2d23A1 ASN 74 HA -0.30 0.11 0.88 -0.75 4.76 4.69 2d23A1 ASN 74 HB2 -1.09 0.15 0.13 -0.04 2.88 2.03 2d23A1 ASN 74 HB3 -0.60 -0.02 0.21 -0.04 2.79 2.35 2d23A1 ASN 74 HD21 -0.84 -0.14 -0.04 -0.04 7.03 5.96 2d23A1 ASN 74 HD22 -1.70 0.49 0.08 -0.04 7.74 6.56 2d23A1 GLY 75 H -0.20 0.41 -0.28 -0.55 8.43 7.81 2d23A1 GLY 75 HA2 -0.11 -0.01 0.30 -0.51 4.01 3.68 2d23A1 GLY 75 HA3 -0.11 0.03 0.47 -0.51 4.01 3.89 2d23A1 LYS 76 H -0.18 0.60 -0.08 -0.55 8.42 8.21 2d23A1 LYS 76 HA -0.06 0.30 0.93 -0.75 4.32 4.74 2d23A1 LYS 76 HB2 -0.08 -0.11 -0.15 -0.04 1.87 1.48 2d23A1 LYS 76 HB3 -0.03 -0.15 -0.44 -0.04 1.79 1.13 2d23A1 LYS 76 HG2 0.08 -0.20 -0.45 -0.04 1.46 0.86 2d23A1 LYS 76 HG3 -0.03 0.20 -0.27 -0.04 1.46 1.32 2d23A1 LYS 76 HD2 -0.33 0.09 -0.22 -0.04 1.69 1.19 2d23A1 LYS 76 HD3 -0.11 -0.23 -0.16 -0.04 1.68 1.15 2d23A1 LYS 76 HE2 -0.42 -0.20 -0.01 -0.04 2.99 2.31 2d23A1 LYS 76 HE3 0.13 -0.05 -0.03 -0.04 2.99 2.99 2d23A1 GLN 77 H -0.09 0.44 0.18 -0.55 8.47 8.46 2d23A1 GLN 77 HA -0.09 0.17 0.60 -0.75 4.36 4.28 2d23A1 GLN 77 HB2 -0.15 0.02 0.12 -0.04 2.15 2.09 2d23A1 GLN 77 HB3 -0.13 -0.13 0.14 -0.04 2.02 1.87 2d23A1 GLN 77 HG2 -0.05 0.03 0.02 -0.04 2.40 2.36 2d23A1 GLN 77 HG3 -0.05 0.07 -0.01 -0.04 2.39 2.35 2d23A1 GLN 77 HE21 -0.00 0.03 -0.01 -0.04 6.97 6.95 2d23A1 GLN 77 HE22 -0.02 0.01 -0.02 -0.04 7.69 7.62 2d23A1 VAL 78 H -0.11 0.18 0.23 -0.55 8.24 7.99 2d23A1 VAL 78 HA -0.14 0.27 1.08 -0.75 4.13 4.58 2d23A1 VAL 78 HB -0.03 0.05 0.07 -0.04 2.12 2.17 2d23A1 VAL 78 HG13 -0.19 -0.03 -0.27 -0.04 0.97 0.43 2d23A1 VAL 78 HG23 -0.05 0.01 -0.24 -0.04 0.95 0.63 2d23A1 ARG 79 H -0.19 0.67 0.29 -0.55 8.46 8.68 2d23A1 ARG 79 HA -0.27 0.17 0.91 -0.75 4.34 4.39 2d23A1 ARG 79 HB2 -0.13 -0.07 -0.00 -0.04 1.90 1.66 2d23A1 ARG 79 HB3 -0.12 0.01 -0.17 -0.04 1.80 1.47 2d23A1 ARG 79 HG2 -0.18 0.04 -0.21 -0.04 1.67 1.28 2d23A1 ARG 79 HG3 -0.22 -0.02 -0.27 -0.04 1.67 1.13 2d23A1 ARG 79 HD2 -0.03 0.02 -0.28 -0.04 3.22 2.89 2d23A1 ARG 79 HD3 -0.04 -0.02 -0.23 -0.04 3.22 2.89 2d23A1 GLY 80 H -0.78 0.88 0.36 -0.55 8.43 8.34 2d23A1 GLY 80 HA2 -0.86 0.02 0.51 -0.51 4.01 3.18 2d23A1 GLY 80 HA3 -2.69 0.05 0.28 -0.51 4.01 1.14 2d23A1 HIS 81 H 0.00 0.20 0.04 -0.55 8.41 8.11 2d23A1 HIS 81 HA 0.03 0.04 0.70 -0.75 4.63 4.65 2d23A1 HIS 81 HB2 -0.04 0.06 -0.41 -0.04 3.26 2.84 2d23A1 HIS 81 HB3 0.01 0.03 0.00 -0.04 3.20 3.20 2d23A1 HIS 81 HD2 0.13 0.10 -0.20 -0.04 6.97 6.95 2d23A1 HIS 81 HE1 -0.40 -0.09 -0.16 -0.04 7.75 7.06 2d23A1 THR 82 H -0.06 0.24 -0.01 -0.55 8.28 7.90 2d23A1 THR 82 HA 0.00 0.15 0.28 -0.75 4.39 4.06 2d23A1 THR 82 HB -1.22 -0.04 -0.12 -0.04 4.32 2.90 2d23A1 THR 82 HG23 -0.42 0.05 -0.26 -0.04 1.22 0.55 2d23A1 LEU 83 H 0.03 0.53 0.15 -0.55 8.37 8.53 2d23A1 LEU 83 HA 0.14 0.15 0.64 -0.75 4.35 4.53 2d23A1 LEU 83 HB2 -0.10 0.11 0.21 -0.04 1.64 1.81 2d23A1 LEU 83 HB3 -0.11 -0.02 0.01 -0.04 1.64 1.49 2d23A1 LEU 83 HG -0.32 -0.08 -0.18 -0.04 1.64 1.02 2d23A1 LEU 83 HD13 -0.84 -0.00 -0.08 -0.04 0.93 -0.03 2d23A1 LEU 83 HD23 -0.79 0.02 -0.12 -0.04 0.89 -0.04 2d23A1 ALA 84 H 0.08 0.39 0.12 -0.55 8.40 8.44 2d23A1 ALA 84 HA 0.28 0.11 0.81 -0.75 4.34 4.78 2d23A1 ALA 84 HB3 0.29 0.02 -0.01 -0.04 1.41 1.67 2d23A1 TRP 85 H 0.44 0.39 0.13 -0.55 7.97 8.38 2d23A1 TRP 85 HA 0.28 0.09 0.50 -0.75 4.62 4.73 2d23A1 TRP 85 HB2 0.09 -0.02 0.12 -0.04 3.23 3.38 2d23A1 TRP 85 HB3 0.11 0.05 -0.10 -0.04 3.23 3.25 2d23A1 TRP 85 HD1 -0.05 -0.04 -0.18 -0.04 7.22 6.91 2d23A1 TRP 85 HE1 -0.12 -0.10 -0.06 -0.04 10.20 9.88 2d23A1 TRP 85 HE3 -0.61 0.01 -0.14 -0.04 7.59 6.81 2d23A1 TRP 85 HZ2 -0.15 0.01 -0.13 -0.04 7.44 7.13 2d23A1 TRP 85 HZ3 -0.84 -0.02 -0.09 -0.04 7.13 6.13 2d23A1 TRP 85 HH2 -0.18 0.02 -0.11 -0.04 7.19 6.88 2d23A1 HIS 86 H 0.41 0.21 0.14 -0.55 8.41 8.63 2d23A1 HIS 86 HA -0.25 0.09 0.48 -0.75 4.63 4.20 2d23A1 HIS 86 HB2 -0.16 -0.01 0.12 -0.04 3.26 3.17 2d23A1 HIS 86 HB3 -0.08 -0.04 0.12 -0.04 3.20 3.15 2d23A1 HIS 86 HD2 -0.10 0.01 -0.11 -0.04 6.97 6.73 2d23A1 HIS 86 HE1 0.40 -0.02 0.06 -0.04 7.75 8.15 2d23A1 SER 87 H -1.58 0.03 -0.16 -0.55 8.46 6.20 2d23A1 SER 87 HA -0.82 0.15 0.69 -0.75 4.49 3.75 2d23A1 SER 87 HB2 -1.20 -0.00 0.03 -0.04 3.95 2.73 2d23A1 SER 87 HB3 -2.71 0.00 -0.02 -0.04 3.93 1.16 2d23A1 GLN 88 H -0.50 0.13 0.14 -0.55 8.47 7.70 2d23A1 GLN 88 HA -0.25 0.07 0.31 -0.75 4.36 3.73 2d23A1 GLN 88 HB2 -0.24 0.08 -0.24 -0.04 2.15 1.72 2d23A1 GLN 88 HB3 -0.06 -0.05 0.19 -0.04 2.02 2.05 2d23A1 GLN 88 HG2 -0.08 0.04 0.04 -0.04 2.40 2.35 2d23A1 GLN 88 HG3 -0.23 -0.06 -0.03 -0.04 2.39 2.04 2d23A1 GLN 88 HE21 0.13 0.02 0.00 -0.04 6.97 7.08 2d23A1 GLN 88 HE22 0.05 0.01 -0.01 -0.04 7.69 7.70 2d23A1 GLN 89 H -0.38 0.09 -0.24 -0.55 8.47 7.39 2d23A1 GLN 89 HA -0.31 0.09 0.54 -0.75 4.36 3.92 2d23A1 GLN 89 HB2 -0.33 -0.04 -0.05 -0.04 2.15 1.70 2d23A1 GLN 89 HB3 -0.41 0.02 -0.04 -0.04 2.02 1.54 2d23A1 GLN 89 HG2 -0.38 0.10 -0.15 -0.04 2.40 1.93 2d23A1 GLN 89 HG3 -0.42 0.12 -0.25 -0.04 2.39 1.80 2d23A1 GLN 89 HE21 -0.21 -0.17 -0.07 -0.04 6.97 6.47 2d23A1 GLN 89 HE22 -0.21 0.38 0.05 -0.04 7.69 7.87 2d23A1 PRO 90 HA -0.18 0.08 0.49 -0.51 4.44 4.32 2d23A1 PRO 90 HB2 -0.26 0.06 0.09 -0.04 2.28 2.12 2d23A1 PRO 90 HB3 -0.08 0.11 0.10 -0.04 2.02 2.12 2d23A1 PRO 90 HG2 -1.67 -0.29 0.01 -0.04 2.03 0.04 2d23A1 PRO 90 HG3 -0.49 0.33 -0.03 -0.04 2.03 1.79 2d23A1 PRO 90 HD2 -0.56 0.07 0.13 -0.04 3.68 3.28 2d23A1 PRO 90 HD3 -0.30 0.10 -0.10 -0.04 3.65 3.31 2d23A1 GLY 91 H -0.10 0.19 0.19 -0.55 8.43 8.17 2d23A1 GLY 91 HA2 -0.12 0.08 0.36 -0.51 4.01 3.82 2d23A1 GLY 91 HA3 -0.04 0.08 0.37 -0.51 4.01 3.91 2d23A1 TRP 92 H 0.16 0.18 -0.06 -0.55 7.97 7.69 2d23A1 TRP 92 HA -0.05 0.08 0.35 -0.75 4.62 4.24 2d23A1 TRP 92 HB2 -0.06 0.03 0.03 -0.04 3.23 3.20 2d23A1 TRP 92 HB3 -0.06 0.03 0.14 -0.04 3.23 3.30 2d23A1 TRP 92 HD1 -0.07 0.21 0.13 -0.04 7.22 7.44 2d23A1 TRP 92 HE1 -0.11 0.49 -0.40 -0.04 10.20 10.14 2d23A1 TRP 92 HE3 -0.06 0.02 -0.33 -0.04 7.59 7.17 2d23A1 TRP 92 HZ2 -0.12 0.17 -0.09 -0.04 7.44 7.35 2d23A1 TRP 92 HZ3 -0.05 0.01 -0.04 -0.04 7.13 7.01 2d23A1 TRP 92 HH2 -0.05 0.07 -0.02 -0.04 7.19 7.15 2d23A1 MET 93 H -1.53 0.15 -0.35 -0.55 8.47 6.20 2d23A1 MET 93 HA -0.45 0.05 0.43 -0.75 4.52 3.79 2d23A1 MET 93 HB2 -2.14 -0.01 0.03 -0.04 2.15 -0.02 2d23A1 MET 93 HB3 -0.96 0.09 0.01 -0.04 2.03 1.14 2d23A1 MET 93 HG2 -0.40 -0.00 -0.21 -0.04 2.63 1.97 2d23A1 MET 93 HG3 -0.41 -0.03 0.01 -0.04 2.56 2.09 2d23A1 MET 93 HE3 -0.25 0.01 -0.08 -0.04 2.10 1.74 2d23A1 GLN 94 H -0.36 0.50 -0.20 -0.55 8.47 7.86 2d23A1 GLN 94 HA -0.21 -0.01 0.44 -0.75 4.36 3.82 2d23A1 GLN 94 HB2 -0.16 0.16 0.10 -0.04 2.15 2.21 2d23A1 GLN 94 HB3 -0.14 -0.06 0.02 -0.04 2.02 1.80 2d23A1 GLN 94 HG2 -0.22 -0.08 -0.00 -0.04 2.40 2.06 2d23A1 GLN 94 HG3 -0.28 0.13 -0.27 -0.04 2.39 1.93 2d23A1 GLN 94 HE21 -0.13 -0.04 0.01 -0.04 6.97 6.76 2d23A1 GLN 94 HE22 -0.16 -0.03 0.03 -0.04 7.69 7.48 2d23A1 SER 95 H -0.10 0.34 -0.35 -0.55 8.46 7.81 2d23A1 SER 95 HA -0.05 0.09 0.61 -0.75 4.49 4.38 2d23A1 SER 95 HB2 -0.01 -0.06 0.14 -0.04 3.95 3.98 2d23A1 SER 95 HB3 -0.02 -0.05 0.04 -0.04 3.93 3.87 2d23A1 LEU 96 H -0.09 0.36 -0.57 -0.55 8.37 7.53 2d23A1 LEU 96 HA 0.00 0.11 0.79 -0.75 4.35 4.50 2d23A1 LEU 96 HB2 -0.05 0.15 0.08 -0.04 1.64 1.78 2d23A1 LEU 96 HB3 0.02 -0.14 -0.04 -0.04 1.64 1.44 2d23A1 LEU 96 HG 0.11 0.34 0.04 -0.04 1.64 2.08 2d23A1 LEU 96 HD13 0.29 -0.02 -0.07 -0.04 0.93 1.09 2d23A1 LEU 96 HD23 0.10 -0.01 -0.09 -0.04 0.89 0.85 2d23A1 SER 97 H -0.01 0.22 0.18 -0.55 8.46 8.31 2d23A1 SER 97 HA -0.06 0.13 0.49 -0.75 4.49 4.30 2d23A1 SER 97 HB2 -0.02 -0.01 -0.10 -0.04 3.95 3.77 2d23A1 SER 97 HB3 -0.04 -0.08 0.11 -0.04 3.93 3.88 2d23A1 GLY 98 H -0.04 0.21 0.11 -0.55 8.43 8.17 2d23A1 GLY 98 HA2 -0.01 0.18 0.38 -0.51 4.01 4.04 2d23A1 GLY 98 HA3 -0.00 0.06 0.44 -0.51 4.01 4.00 2d23A1 SER 99 H 0.01 0.21 0.24 -0.55 8.46 8.38 2d23A1 SER 99 HA 0.03 0.08 0.44 -0.75 4.49 4.29 2d23A1 SER 99 HB2 0.02 0.05 0.09 -0.04 3.95 4.08 2d23A1 SER 99 HB3 0.02 0.06 0.18 -0.04 3.93 4.15 2d23A1 THR 100 H 0.02 0.20 -0.12 -0.55 8.28 7.83 2d23A1 THR 100 HA 0.04 0.09 0.46 -0.75 4.39 4.22 2d23A1 THR 100 HB 0.04 0.02 0.06 -0.04 4.32 4.40 2d23A1 THR 100 HG23 0.02 -0.00 0.05 -0.04 1.22 1.25 2d23A1 LEU 101 H 0.01 0.43 -0.52 -0.55 8.37 7.75 2d23A1 LEU 101 HA 0.03 0.09 0.45 -0.75 4.35 4.17 2d23A1 LEU 101 HB2 -0.04 -0.06 -0.30 -0.04 1.64 1.20 2d23A1 LEU 101 HB3 -0.03 0.16 -0.13 -0.04 1.64 1.60 2d23A1 LEU 101 HG -0.08 -0.03 -0.34 -0.04 1.64 1.15 2d23A1 LEU 101 HD13 -0.09 0.01 -0.07 -0.04 0.93 0.74 2d23A1 LEU 101 HD23 -0.14 0.05 -0.32 -0.04 0.89 0.45 2d23A1 ARG 102 H 0.02 0.49 -0.05 -0.55 8.46 8.37 2d23A1 ARG 102 HA 0.07 0.02 0.35 -0.75 4.34 4.03 2d23A1 ARG 102 HB2 0.05 0.02 0.07 -0.04 1.90 2.00 2d23A1 ARG 102 HB3 0.05 0.09 0.14 -0.04 1.80 2.04 2d23A1 ARG 102 HG2 0.08 0.02 -0.04 -0.04 1.67 1.68 2d23A1 ARG 102 HG3 0.08 0.01 -0.19 -0.04 1.67 1.52 2d23A1 ARG 102 HD2 0.14 0.02 -0.05 -0.04 3.22 3.28 2d23A1 ARG 102 HD3 0.14 -0.05 0.05 -0.04 3.22 3.32 2d23A1 GLN 103 H 0.05 0.57 -0.24 -0.55 8.47 8.31 2d23A1 GLN 103 HA 0.07 0.04 0.41 -0.75 4.36 4.12 2d23A1 GLN 103 HB2 0.05 0.06 0.12 -0.04 2.15 2.33 2d23A1 GLN 103 HB3 0.06 0.08 0.08 -0.04 2.02 2.20 2d23A1 GLN 103 HG2 0.04 -0.00 -0.01 -0.04 2.40 2.39 2d23A1 GLN 103 HG3 0.06 -0.02 -0.11 -0.04 2.39 2.28 2d23A1 GLN 103 HE21 0.04 0.04 -0.00 -0.04 6.97 7.01 2d23A1 GLN 103 HE22 0.06 -0.03 0.03 -0.04 7.69 7.70 2d23A1 ALA 104 H 0.09 0.34 -0.38 -0.55 8.40 7.91 2d23A1 ALA 104 HA 0.19 0.00 0.45 -0.75 4.34 4.22 2d23A1 ALA 104 HB3 0.24 0.04 0.14 -0.04 1.41 1.78 2d23A1 MET 105 H 0.10 0.63 -0.16 -0.55 8.47 8.50 2d23A1 MET 105 HA 0.15 0.02 0.44 -0.75 4.52 4.37 2d23A1 MET 105 HB2 0.07 -0.04 0.06 -0.04 2.15 2.20 2d23A1 MET 105 HB3 0.12 0.16 0.16 -0.04 2.03 2.42 2d23A1 MET 105 HG2 0.16 0.02 -0.26 -0.04 2.63 2.52 2d23A1 MET 105 HG3 0.18 -0.05 0.01 -0.04 2.56 2.67 2d23A1 MET 105 HE3 0.19 0.03 -0.09 -0.04 2.10 2.19 2d23A1 ILE 106 H 0.11 0.55 -0.12 -0.55 8.25 8.24 2d23A1 ILE 106 HA 0.07 0.03 0.42 -0.75 4.18 3.95 2d23A1 ILE 106 HB 0.07 0.07 0.15 -0.04 1.89 2.15 2d23A1 ILE 106 HG12 0.07 -0.02 -0.03 -0.04 1.49 1.47 2d23A1 ILE 106 HG13 0.09 0.23 0.09 -0.04 1.21 1.57 2d23A1 ILE 106 HG23 0.04 -0.01 -0.09 -0.04 0.93 0.84 2d23A1 ILE 106 HD13 0.06 -0.03 -0.07 -0.04 0.88 0.80 2d23A1 ASP 107 H 0.13 0.61 -0.15 -0.55 8.40 8.44 2d23A1 ASP 107 HA 0.11 0.03 0.40 -0.75 4.63 4.41 2d23A1 ASP 107 HB2 0.18 0.06 0.15 -0.04 2.71 3.06 2d23A1 ASP 107 HB3 0.17 -0.07 0.03 -0.04 2.70 2.79 2d23A1 HIS 108 H 0.30 0.53 -0.25 -0.55 8.41 8.45 2d23A1 HIS 108 HA 0.47 -0.02 0.42 -0.75 4.63 4.74 2d23A1 HIS 108 HB2 0.27 0.02 0.15 -0.04 3.26 3.65 2d23A1 HIS 108 HB3 0.16 0.14 0.20 -0.04 3.20 3.65 2d23A1 HIS 108 HD2 0.11 0.35 0.07 -0.04 6.97 7.45 2d23A1 HIS 108 HE1 0.29 -0.01 -0.05 -0.04 7.75 7.93 2d23A1 ILE 109 H 0.12 0.53 -0.12 -0.55 8.25 8.23 2d23A1 ILE 109 HA -0.20 -0.02 0.40 -0.75 4.18 3.60 2d23A1 ILE 109 HB -0.02 0.12 0.15 -0.04 1.89 2.10 2d23A1 ILE 109 HG12 -0.05 -0.09 -0.02 -0.04 1.49 1.29 2d23A1 ILE 109 HG13 0.09 0.27 0.12 -0.04 1.21 1.64 2d23A1 ILE 109 HG23 -0.18 -0.01 -0.19 -0.04 0.93 0.52 2d23A1 ILE 109 HD13 0.01 -0.01 -0.04 -0.04 0.88 0.80 2d23A1 ASN 110 H -0.02 0.58 -0.10 -0.55 8.53 8.44 2d23A1 ASN 110 HA -0.10 0.04 0.35 -0.75 4.76 4.29 2d23A1 ASN 110 HB2 0.01 0.05 0.12 -0.04 2.88 3.01 2d23A1 ASN 110 HB3 -0.03 -0.02 0.00 -0.04 2.79 2.70 2d23A1 ASN 110 HD21 0.01 -0.07 -0.04 -0.04 7.03 6.89 2d23A1 ASN 110 HD22 0.03 -0.05 -0.12 -0.04 7.74 7.56 2d23A1 GLY 111 H -0.08 0.50 -0.27 -0.55 8.43 8.03 2d23A1 GLY 111 HA2 -0.36 0.03 0.43 -0.51 4.01 3.60 2d23A1 GLY 111 HA3 -0.91 0.02 0.31 -0.51 4.01 2.92 2d23A1 VAL 112 H -0.33 0.64 -0.02 -0.55 8.24 7.98 2d23A1 VAL 112 HA 0.02 0.02 0.43 -0.75 4.13 3.85 2d23A1 VAL 112 HB -0.35 0.04 0.10 -0.04 2.12 1.87 2d23A1 VAL 112 HG13 0.30 -0.02 -0.16 -0.04 0.97 1.06 2d23A1 VAL 112 HG23 -0.21 0.06 0.00 -0.04 0.95 0.75 2d23A1 MET 113 H -0.32 0.65 0.02 -0.55 8.47 8.27 2d23A1 MET 113 HA -0.08 -0.04 0.29 -0.75 4.52 3.94 2d23A1 MET 113 HB2 -0.25 0.14 0.01 -0.04 2.15 2.01 2d23A1 MET 113 HB3 -0.19 0.01 -0.14 -0.04 2.03 1.67 2d23A1 MET 113 HG2 -1.34 -0.09 -0.07 -0.04 2.63 1.09 2d23A1 MET 113 HG3 -0.74 0.02 0.04 -0.04 2.56 1.84 2d23A1 MET 113 HE3 -0.17 0.04 -0.08 -0.04 2.10 1.85 2d23A1 GLY 114 H -0.17 0.40 -0.43 -0.55 8.43 7.69 2d23A1 GLY 114 HA2 -0.09 0.07 0.42 -0.51 4.01 3.91 2d23A1 GLY 114 HA3 -0.12 0.10 0.33 -0.51 4.01 3.81 2d23A1 HIS 115 H -0.23 0.39 -0.26 -0.55 8.41 7.76 2d23A1 HIS 115 HA -0.42 -0.00 0.41 -0.75 4.63 3.87 2d23A1 HIS 115 HB2 -1.02 0.04 0.16 -0.04 3.26 2.40 2d23A1 HIS 115 HB3 -1.16 0.15 0.17 -0.04 3.20 2.32 2d23A1 HIS 115 HD2 -2.54 -0.02 -0.12 -0.04 6.97 4.24 2d23A1 HIS 115 HE1 -0.18 -0.04 -0.00 -0.04 7.75 7.49 2d23A1 TYR 116 H -0.08 0.36 -0.29 -0.55 8.29 7.73 2d23A1 TYR 116 HA -0.35 0.17 0.72 -0.75 4.56 4.35 2d23A1 TYR 116 HB2 0.23 0.04 -0.02 -0.04 3.06 3.27 2d23A1 TYR 116 HB3 -0.07 -0.11 0.04 -0.04 2.98 2.79 2d23A1 TYR 116 HD2 -0.21 0.10 -0.09 -0.04 7.15 6.91 2d23A1 TYR 116 HE2 0.03 -0.03 -0.10 -0.04 6.85 6.71 2d23A1 LYS 117 H -0.08 0.36 -0.43 -0.55 8.42 7.72 2d23A1 LYS 117 HA 0.06 -0.08 0.37 -0.75 4.32 3.92 2d23A1 LYS 117 HB2 -0.04 0.13 0.23 -0.04 1.87 2.14 2d23A1 LYS 117 HB3 -0.05 -0.03 0.15 -0.04 1.79 1.82 2d23A1 LYS 117 HG2 -0.00 -0.07 -0.17 -0.04 1.46 1.17 2d23A1 LYS 117 HG3 0.01 -0.05 0.14 -0.04 1.46 1.51 2d23A1 LYS 117 HD2 -0.03 0.12 0.13 -0.04 1.69 1.87 2d23A1 LYS 117 HD3 -0.03 -0.07 0.05 -0.04 1.68 1.59 2d23A1 LYS 117 HE2 -0.00 -0.09 0.01 -0.04 2.99 2.87 2d23A1 LYS 117 HE3 -0.00 0.04 0.07 -0.04 2.99 3.06 2d23A1 GLY 118 H 0.07 0.07 0.19 -0.55 8.43 8.22 2d23A1 GLY 118 HA2 0.04 -0.02 0.33 -0.51 4.01 3.85 2d23A1 GLY 118 HA3 0.02 0.10 0.45 -0.51 4.01 4.08 2d23A1 LYS 119 H 0.05 0.57 -0.23 -0.55 8.42 8.26 2d23A1 LYS 119 HA 0.07 0.21 0.88 -0.75 4.32 4.74 2d23A1 LYS 119 HB2 -0.09 0.05 -0.03 -0.04 1.87 1.76 2d23A1 LYS 119 HB3 0.16 -0.09 0.09 -0.04 1.79 1.90 2d23A1 LYS 119 HG2 0.06 0.00 -0.16 -0.04 1.46 1.33 2d23A1 LYS 119 HG3 -0.03 0.21 -0.28 -0.04 1.46 1.31 2d23A1 LYS 119 HD2 -0.26 -0.01 -0.05 -0.04 1.69 1.33 2d23A1 LYS 119 HD3 0.12 -0.07 -0.04 -0.04 1.68 1.65 2d23A1 LYS 119 HE2 -0.02 -0.08 -0.03 -0.04 2.99 2.82 2d23A1 LYS 119 HE3 0.01 -0.01 -0.05 -0.04 2.99 2.90 2d23A1 ILE 120 H 0.05 0.10 -0.07 -0.55 8.25 7.78 2d23A1 ILE 120 HA -0.12 0.15 0.97 -0.75 4.18 4.43 2d23A1 ILE 120 HB -0.03 -0.01 -0.04 -0.04 1.89 1.78 2d23A1 ILE 120 HG12 0.03 0.13 -0.15 -0.04 1.49 1.46 2d23A1 ILE 120 HG13 -0.20 -0.06 -0.13 -0.04 1.21 0.79 2d23A1 ILE 120 HG23 -1.00 -0.04 -0.22 -0.04 0.93 -0.37 2d23A1 ILE 120 HD13 -0.45 0.04 -0.23 -0.04 0.88 0.19 2d23A1 ALA 121 H -0.13 0.29 0.27 -0.55 8.40 8.29 2d23A1 ALA 121 HA -0.02 0.16 0.49 -0.75 4.34 4.22 2d23A1 ALA 121 HB3 -0.09 0.00 0.07 -0.04 1.41 1.36 2d23A1 GLN 122 H -0.19 0.27 0.19 -0.55 8.47 8.19 2d23A1 GLN 122 HA 0.04 0.36 0.88 -0.75 4.36 4.88 2d23A1 GLN 122 HB2 -0.07 -0.12 -0.06 -0.04 2.15 1.85 2d23A1 GLN 122 HB3 0.03 -0.02 -0.15 -0.04 2.02 1.84 2d23A1 GLN 122 HG2 0.06 0.07 -0.15 -0.04 2.40 2.34 2d23A1 GLN 122 HG3 0.00 -0.01 -0.50 -0.04 2.39 1.84 2d23A1 GLN 122 HE21 0.32 -0.03 -0.22 -0.04 6.97 6.99 2d23A1 GLN 122 HE22 0.09 0.08 -0.20 -0.04 7.69 7.63 2d23A1 TRP 123 H 0.20 0.72 0.26 -0.55 7.97 8.61 2d23A1 TRP 123 HA -0.01 0.12 0.94 -0.75 4.62 4.92 2d23A1 TRP 123 HB2 0.00 0.12 -0.02 -0.04 3.23 3.29 2d23A1 TRP 123 HB3 -0.03 -0.06 -0.20 -0.04 3.23 2.89 2d23A1 TRP 123 HD1 -0.01 0.09 -0.20 -0.04 7.22 7.06 2d23A1 TRP 123 HE1 -0.01 0.07 -0.14 -0.04 10.20 10.08 2d23A1 TRP 123 HE3 -0.03 0.03 -0.32 -0.04 7.59 7.23 2d23A1 TRP 123 HZ2 0.02 0.08 -0.19 -0.04 7.44 7.32 2d23A1 TRP 123 HZ3 0.01 -0.01 -0.41 -0.04 7.13 6.67 2d23A1 TRP 123 HH2 0.03 0.04 -0.16 -0.04 7.19 7.06 2d23A1 ASP 124 H 0.27 0.77 0.11 -0.55 8.40 9.00 2d23A1 ASP 124 HA 0.09 0.12 0.63 -0.75 4.63 4.72 2d23A1 ASP 124 HB2 0.10 -0.02 0.22 -0.04 2.71 2.98 2d23A1 ASP 124 HB3 -0.03 -0.07 -0.05 -0.04 2.70 2.51 2d23A1 VAL 125 H 0.05 0.49 0.10 -0.55 8.24 8.33 2d23A1 VAL 125 HA -0.10 -0.01 0.40 -0.75 4.13 3.67 2d23A1 VAL 125 HB -0.90 0.03 0.11 -0.04 2.12 1.32 2d23A1 VAL 125 HG13 -0.50 0.00 -0.25 -0.04 0.97 0.18 2d23A1 VAL 125 HG23 -0.15 0.04 0.01 -0.04 0.95 0.80 2d23A1 VAL 126 H -0.04 0.32 0.17 -0.55 8.24 8.13 2d23A1 VAL 126 HA 0.14 0.45 1.03 -0.75 4.13 4.99 2d23A1 VAL 126 HB 0.41 -0.04 0.09 -0.04 2.12 2.54 2d23A1 VAL 126 HG13 0.20 -0.01 -0.04 -0.04 0.97 1.08 2d23A1 VAL 126 HG23 -0.16 0.01 -0.13 -0.04 0.95 0.63 2d23A1 SER 127 H 0.29 0.44 0.27 -0.55 8.46 8.92 2d23A1 SER 127 HA -0.22 0.38 0.89 -0.75 4.49 4.78 2d23A1 SER 127 HB2 0.12 -0.03 0.04 -0.04 3.95 4.03 2d23A1 SER 127 HB3 -0.17 0.02 -0.24 -0.04 3.93 3.50 2d23A1 HIS 128 H 0.22 0.36 0.35 -0.55 8.41 8.80 2d23A1 HIS 128 HA 0.32 -0.02 0.43 -0.75 4.63 4.60 2d23A1 HIS 128 HB2 0.73 0.10 -0.05 -0.04 3.26 4.00 2d23A1 HIS 128 HB3 0.65 0.01 0.24 -0.04 3.20 4.06 2d23A1 HIS 128 HD2 0.16 -0.07 -0.12 -0.04 6.97 6.90 2d23A1 HIS 128 HE1 0.13 0.03 -0.05 -0.04 7.75 7.82 2d23A1 ALA 129 H 0.58 0.10 -0.21 -0.55 8.40 8.32 2d23A1 ALA 129 HA 0.49 0.14 0.59 -0.75 4.34 4.81 2d23A1 ALA 129 HB3 0.52 0.02 -0.01 -0.04 1.41 1.89 2d23A1 PHE 130 H 0.48 0.01 -0.17 -0.55 8.34 8.11 2d23A1 PHE 130 HA 0.09 0.18 1.07 -0.75 4.62 5.21 2d23A1 PHE 130 HB2 0.06 -0.08 -0.02 -0.04 3.15 3.08 2d23A1 PHE 130 HB3 0.03 0.09 -0.04 -0.04 3.06 3.11 2d23A1 PHE 130 HD2 0.09 -0.10 -0.30 -0.04 7.28 6.93 2d23A1 PHE 130 HE2 -0.20 0.08 -0.14 -0.04 7.38 7.07 2d23A1 PHE 130 HZ -0.19 0.07 -0.14 -0.04 7.32 7.02 2d23A1 SER 131 H 0.10 0.68 0.14 -0.55 8.46 8.84 2d23A1 SER 131 HA 0.07 0.15 0.56 -0.75 4.49 4.52 2d23A1 SER 131 HB2 0.02 0.11 -0.11 -0.04 3.95 3.94 2d23A1 SER 131 HB3 0.05 0.02 -0.02 -0.04 3.93 3.93 2d23A1 ASP 132 H 0.08 0.19 0.17 -0.55 8.40 8.29 2d23A1 ASP 132 HA 0.09 0.20 0.86 -0.75 4.63 5.03 2d23A1 ASP 132 HB2 0.12 0.03 0.07 -0.04 2.71 2.89 2d23A1 ASP 132 HB3 0.14 0.05 0.17 -0.04 2.70 3.02 2d23A1 ASP 133 H 0.04 0.03 -0.05 -0.55 8.40 7.87 2d23A1 ASP 133 HA 0.01 0.20 0.44 -0.75 4.63 4.52 2d23A1 ASP 133 HB2 0.00 0.12 0.15 -0.04 2.71 2.93 2d23A1 ASP 133 HB3 0.01 0.02 0.12 -0.04 2.70 2.82 2d23A1 GLY 134 H 0.01 0.01 -0.68 -0.55 8.43 7.23 2d23A1 GLY 134 HA2 -0.06 -0.05 0.24 -0.51 4.01 3.63 2d23A1 GLY 134 HA3 -0.07 0.23 0.51 -0.51 4.01 4.17 2d23A1 SER 135 H 0.01 -0.08 -0.35 -0.55 8.46 7.50 2d23A1 SER 135 HA -0.01 0.24 0.55 -0.75 4.49 4.52 2d23A1 SER 135 HB2 0.01 0.09 0.00 -0.04 3.95 4.01 2d23A1 SER 135 HB3 0.00 0.07 -0.03 -0.04 3.93 3.94 2d23A1 GLY 136 H 0.06 -0.08 -0.12 -0.55 8.43 7.75 2d23A1 GLY 136 HA2 0.12 -0.01 0.04 -0.51 4.01 3.65 2d23A1 GLY 136 HA3 0.07 0.26 0.56 -0.51 4.01 4.39 2d23A1 GLY 137 H 0.07 -0.13 -0.10 -0.55 8.43 7.72 2d23A1 GLY 137 HA2 0.03 0.28 0.79 -0.51 4.01 4.60 2d23A1 GLY 137 HA3 -0.00 0.05 0.27 -0.51 4.01 3.82 2d23A1 ARG 138 H -0.17 0.14 0.14 -0.55 8.46 8.02 2d23A1 ARG 138 HA -0.51 0.20 0.64 -0.75 4.34 3.91 2d23A1 ARG 138 HB2 -0.06 -0.05 0.03 -0.04 1.90 1.77 2d23A1 ARG 138 HB3 -0.04 0.10 0.14 -0.04 1.80 1.97 2d23A1 ARG 138 HG2 -0.25 -0.06 0.10 -0.04 1.67 1.42 2d23A1 ARG 138 HG3 -0.05 0.01 0.07 -0.04 1.67 1.66 2d23A1 ARG 138 HD2 -0.27 0.04 0.05 -0.04 3.22 3.00 2d23A1 ARG 138 HD3 -1.36 -0.03 -0.09 -0.04 3.22 1.70 2d23A1 ARG 139 H -0.02 0.51 0.13 -0.55 8.46 8.52 2d23A1 ARG 139 HA -0.02 0.04 0.66 -0.75 4.34 4.27 2d23A1 ARG 139 HB2 -0.05 -0.01 -0.05 -0.04 1.90 1.75 2d23A1 ARG 139 HB3 0.02 -0.00 -0.40 -0.04 1.80 1.37 2d23A1 ARG 139 HG2 0.04 0.07 -0.07 -0.04 1.67 1.67 2d23A1 ARG 139 HG3 -0.10 -0.09 -0.33 -0.04 1.67 1.11 2d23A1 ARG 139 HD2 -0.76 -0.06 0.01 -0.04 3.22 2.37 2d23A1 ARG 139 HD3 -0.41 -0.02 -0.10 -0.04 3.22 2.65 2d23A1 ASP 140 H -0.03 0.12 0.11 -0.55 8.40 8.04 2d23A1 ASP 140 HA -0.04 0.05 0.44 -0.75 4.63 4.32 2d23A1 ASP 140 HB2 -0.03 0.03 0.09 -0.04 2.71 2.76 2d23A1 ASP 140 HB3 -0.04 -0.02 0.18 -0.04 2.70 2.79 2d23A1 SER 141 H -0.10 0.20 0.28 -0.55 8.46 8.28 2d23A1 SER 141 HA -0.10 0.25 0.80 -0.75 4.49 4.69 2d23A1 SER 141 HB2 -0.11 -0.03 0.14 -0.04 3.95 3.91 2d23A1 SER 141 HB3 -0.15 0.13 -0.20 -0.04 3.93 3.68 2d23A1 ASN 142 H -0.14 0.26 0.17 -0.55 8.53 8.27 2d23A1 ASN 142 HA -0.13 0.09 0.41 -0.75 4.76 4.37 2d23A1 ASN 142 HB2 -0.14 0.16 0.09 -0.04 2.88 2.96 2d23A1 ASN 142 HB3 -0.13 0.10 0.19 -0.04 2.79 2.91 2d23A1 ASN 142 HD21 -0.21 0.00 -0.06 -0.04 7.03 6.72 2d23A1 ASN 142 HD22 -0.17 0.14 -0.08 -0.04 7.74 7.59 2d23A1 LEU 143 H -0.35 0.06 -0.23 -0.55 8.37 7.31 2d23A1 LEU 143 HA -0.43 0.11 0.34 -0.75 4.35 3.62 2d23A1 LEU 143 HB2 -1.10 -0.08 -0.03 -0.04 1.64 0.40 2d23A1 LEU 143 HB3 -1.75 0.06 -0.12 -0.04 1.64 -0.21 2d23A1 LEU 143 HG -0.32 -0.02 -0.09 -0.04 1.64 1.17 2d23A1 LEU 143 HD13 -0.16 0.02 -0.27 -0.04 0.93 0.48 2d23A1 LEU 143 HD23 -0.17 0.03 -0.11 -0.04 0.89 0.60 2d23A1 GLN 144 H -0.54 0.02 -0.20 -0.55 8.47 7.20 2d23A1 GLN 144 HA -0.42 0.09 0.36 -0.75 4.36 3.63 2d23A1 GLN 144 HB2 -0.02 0.05 0.15 -0.04 2.15 2.30 2d23A1 GLN 144 HB3 -0.12 -0.21 0.23 -0.04 2.02 1.88 2d23A1 GLN 144 HG2 0.03 0.06 -0.13 -0.04 2.40 2.33 2d23A1 GLN 144 HG3 0.01 0.00 -0.22 -0.04 2.39 2.15 2d23A1 GLN 144 HE21 0.16 -0.04 0.06 -0.04 6.97 7.11 2d23A1 GLN 144 HE22 0.08 0.01 -0.05 -0.04 7.69 7.70 2d23A1 ARG 145 H -0.19 0.54 -0.25 -0.55 8.46 8.01 2d23A1 ARG 145 HA -0.04 0.04 0.40 -0.75 4.34 3.98 2d23A1 ARG 145 HB2 -0.09 0.12 0.08 -0.04 1.90 1.97 2d23A1 ARG 145 HB3 -0.05 -0.03 0.09 -0.04 1.80 1.76 2d23A1 ARG 145 HG2 -0.06 -0.07 -0.04 -0.04 1.67 1.46 2d23A1 ARG 145 HG3 -0.10 0.26 -0.12 -0.04 1.67 1.67 2d23A1 ARG 145 HD2 -0.06 0.02 -0.04 -0.04 3.22 3.09 2d23A1 ARG 145 HD3 -0.04 0.00 -0.03 -0.04 3.22 3.11 2d23A1 THR 146 H -0.15 0.40 -0.44 -0.55 8.28 7.54 2d23A1 THR 146 HA -0.02 -0.06 0.48 -0.75 4.39 4.04 2d23A1 THR 146 HB 0.01 -0.10 0.05 -0.04 4.32 4.24 2d23A1 THR 146 HG23 -0.09 0.01 0.05 -0.04 1.22 1.15 2d23A1 GLY 147 H 0.03 0.38 -0.53 -0.55 8.43 7.76 2d23A1 GLY 147 HA2 0.08 0.02 0.32 -0.51 4.01 3.91 2d23A1 GLY 147 HA3 0.11 0.14 0.73 -0.51 4.01 4.48 2d23A1 ASN 148 H 0.11 0.20 0.16 -0.55 8.53 8.45 2d23A1 ASN 148 HA 0.28 0.09 0.45 -0.75 4.76 4.82 2d23A1 ASN 148 HB2 0.08 0.03 0.16 -0.04 2.88 3.11 2d23A1 ASN 148 HB3 0.08 0.03 0.08 -0.04 2.79 2.94 2d23A1 ASN 148 HD21 0.02 0.03 -0.01 -0.04 7.03 7.03 2d23A1 ASN 148 HD22 0.05 0.03 -0.10 -0.04 7.74 7.68 2d23A1 ASP 149 H 0.15 0.09 -0.42 -0.55 8.40 7.67 2d23A1 ASP 149 HA 0.08 0.13 0.54 -0.75 4.63 4.62 2d23A1 ASP 149 HB2 0.07 0.02 0.10 -0.04 2.71 2.86 2d23A1 ASP 149 HB3 0.08 0.03 0.03 -0.04 2.70 2.80 2d23A1 TRP 150 H 0.45 0.51 -0.45 -0.55 7.97 7.93 2d23A1 TRP 150 HA 0.06 0.05 0.27 -0.75 4.62 4.24 2d23A1 TRP 150 HB2 0.06 -0.04 -0.03 -0.04 3.23 3.18 2d23A1 TRP 150 HB3 0.05 0.18 0.03 -0.04 3.23 3.44 2d23A1 TRP 150 HD1 0.04 0.30 0.10 -0.04 7.22 7.61 2d23A1 TRP 150 HE1 0.02 -0.01 -0.00 -0.04 10.20 10.17 2d23A1 TRP 150 HE3 0.09 0.03 -0.25 -0.04 7.59 7.42 2d23A1 TRP 150 HZ2 0.12 0.01 -0.01 -0.04 7.44 7.53 2d23A1 TRP 150 HZ3 0.15 0.09 -0.20 -0.04 7.13 7.12 2d23A1 TRP 150 HH2 0.24 0.03 -0.06 -0.04 7.19 7.36 2d23A1 ILE 151 H -0.77 0.22 -0.25 -0.55 8.25 6.90 2d23A1 ILE 151 HA -0.58 0.06 0.34 -0.75 4.18 3.24 2d23A1 ILE 151 HB -0.09 0.03 0.06 -0.04 1.89 1.85 2d23A1 ILE 151 HG12 -1.51 -0.02 -0.02 -0.04 1.49 -0.11 2d23A1 ILE 151 HG13 -1.68 -0.01 0.03 -0.04 1.21 -0.48 2d23A1 ILE 151 HG23 0.22 0.01 -0.14 -0.04 0.93 0.99 2d23A1 ILE 151 HD13 -0.21 0.01 -0.02 -0.04 0.88 0.62 2d23A1 GLU 152 H -0.03 0.11 -0.18 -0.55 8.60 7.96 2d23A1 GLU 152 HA -0.35 0.08 0.34 -0.75 4.29 3.60 2d23A1 GLU 152 HB2 -0.11 -0.02 0.08 -0.04 2.09 2.00 2d23A1 GLU 152 HB3 -0.04 0.07 0.10 -0.04 1.99 2.08 2d23A1 GLU 152 HG2 -0.13 0.00 -0.17 -0.04 2.34 2.01 2d23A1 GLU 152 HG3 -0.41 0.02 0.01 -0.04 2.34 1.92 2d23A1 VAL 153 H 0.03 0.56 -0.18 -0.55 8.24 8.10 2d23A1 VAL 153 HA 0.02 0.04 0.35 -0.75 4.13 3.79 2d23A1 VAL 153 HB 0.13 0.07 0.06 -0.04 2.12 2.34 2d23A1 VAL 153 HG13 0.07 -0.01 -0.12 -0.04 0.97 0.87 2d23A1 VAL 153 HG23 0.07 0.06 -0.04 -0.04 0.95 0.99 2d23A1 ALA 154 H 0.05 0.52 -0.27 -0.55 8.40 8.15 2d23A1 ALA 154 HA 0.02 0.00 0.38 -0.75 4.34 3.98 2d23A1 ALA 154 HB3 -0.02 0.02 0.04 -0.04 1.41 1.41 2d23A1 PHE 155 H 0.10 0.47 -0.13 -0.55 8.34 8.23 2d23A1 PHE 155 HA -0.03 -0.02 0.46 -0.75 4.62 4.28 2d23A1 PHE 155 HB2 -0.21 0.04 0.12 -0.04 3.15 3.06 2d23A1 PHE 155 HB3 -0.11 0.25 -0.05 -0.04 3.06 3.11 2d23A1 PHE 155 HD2 -0.04 0.22 0.00 -0.04 7.28 7.42 2d23A1 PHE 155 HE2 0.14 -0.08 -0.24 -0.04 7.38 7.16 2d23A1 PHE 155 HZ 0.23 -0.06 -0.31 -0.04 7.32 7.14 2d23A1 ARG 156 H 0.04 0.54 -0.06 -0.55 8.46 8.43 2d23A1 ARG 156 HA 0.02 0.08 0.46 -0.75 4.34 4.15 2d23A1 ARG 156 HB2 0.00 0.03 0.13 -0.04 1.90 2.02 2d23A1 ARG 156 HB3 0.00 -0.03 0.02 -0.04 1.80 1.76 2d23A1 ARG 156 HG2 -0.03 0.05 0.06 -0.04 1.67 1.71 2d23A1 ARG 156 HG3 -0.05 0.10 0.07 -0.04 1.67 1.75 2d23A1 ARG 156 HD2 -0.02 -0.07 -0.08 -0.04 3.22 3.00 2d23A1 ARG 156 HD3 -0.01 -0.01 -0.02 -0.04 3.22 3.14 2d23A1 THR 157 H 0.00 0.52 -0.23 -0.55 8.28 8.03 2d23A1 THR 157 HA -0.00 0.00 0.39 -0.75 4.39 4.02 2d23A1 THR 157 HB -0.02 0.12 0.17 -0.04 4.32 4.55 2d23A1 THR 157 HG23 -0.01 -0.03 -0.05 -0.04 1.22 1.09 2d23A1 ALA 158 H -0.06 0.54 -0.16 -0.55 8.40 8.17 2d23A1 ALA 158 HA -0.12 -0.04 0.34 -0.75 4.34 3.77 2d23A1 ALA 158 HB3 -0.12 0.02 0.08 -0.04 1.41 1.34 2d23A1 ARG 159 H 0.02 0.63 -0.08 -0.55 8.46 8.47 2d23A1 ARG 159 HA 0.04 0.09 0.28 -0.75 4.34 3.99 2d23A1 ARG 159 HB2 0.06 0.04 0.14 -0.04 1.90 2.09 2d23A1 ARG 159 HB3 0.03 0.06 0.16 -0.04 1.80 2.00 2d23A1 ARG 159 HG2 0.02 -0.03 -0.00 -0.04 1.67 1.62 2d23A1 ARG 159 HG3 0.02 -0.02 -0.27 -0.04 1.67 1.37 2d23A1 ARG 159 HD2 0.03 -0.02 0.04 -0.04 3.22 3.24 2d23A1 ARG 159 HD3 0.05 0.04 0.07 -0.04 3.22 3.34 2d23A1 ALA 160 H -0.00 0.40 -0.27 -0.55 8.40 7.98 2d23A1 ALA 160 HA 0.00 0.03 0.42 -0.75 4.34 4.03 2d23A1 ALA 160 HB3 -0.00 -0.00 0.07 -0.04 1.41 1.44 2d23A1 ALA 161 H -0.03 0.42 -0.20 -0.55 8.40 8.04 2d23A1 ALA 161 HA -0.04 -0.02 0.41 -0.75 4.34 3.94 2d23A1 ALA 161 HB3 -0.09 -0.02 0.02 -0.04 1.41 1.28 2d23A1 ASP 162 H -0.01 0.56 -0.31 -0.55 8.40 8.09 2d23A1 ASP 162 HA 0.01 0.13 0.63 -0.75 4.63 4.65 2d23A1 ASP 162 HB2 0.02 0.11 -0.22 -0.04 2.71 2.58 2d23A1 ASP 162 HB3 0.06 -0.01 0.09 -0.04 2.70 2.80 2d23A1 PRO 163 HA 0.04 0.13 0.51 -0.51 4.44 4.61 2d23A1 PRO 163 HB2 0.02 -0.05 0.01 -0.04 2.28 2.23 2d23A1 PRO 163 HB3 0.02 -0.02 0.13 -0.04 2.02 2.11 2d23A1 PRO 163 HG2 0.01 -0.05 0.06 -0.04 2.03 2.01 2d23A1 PRO 163 HG3 0.01 0.23 0.12 -0.04 2.03 2.36 2d23A1 PRO 163 HD2 0.02 0.00 0.12 -0.04 3.68 3.77 2d23A1 PRO 163 HD3 0.01 0.27 -0.20 -0.04 3.65 3.69 2d23A1 ALA 164 H 0.05 -0.02 -0.47 -0.55 8.40 7.41 2d23A1 ALA 164 HA 0.04 0.17 0.64 -0.75 4.34 4.44 2d23A1 ALA 164 HB3 0.04 -0.03 0.04 -0.04 1.41 1.43 2d23A1 ALA 165 H 0.10 0.31 -0.18 -0.55 8.40 8.09 2d23A1 ALA 165 HA 0.10 0.29 0.71 -0.75 4.34 4.68 2d23A1 ALA 165 HB3 0.28 -0.04 -0.10 -0.04 1.41 1.52 2d23A1 LYS 166 H 0.09 0.58 0.25 -0.55 8.42 8.78 2d23A1 LYS 166 HA 0.11 0.10 0.58 -0.75 4.32 4.35 2d23A1 LYS 166 HB2 0.08 0.05 0.25 -0.04 1.87 2.20 2d23A1 LYS 166 HB3 0.10 -0.09 -0.07 -0.04 1.79 1.68 2d23A1 LYS 166 HG2 0.07 0.02 0.02 -0.04 1.46 1.53 2d23A1 LYS 166 HG3 0.06 0.13 0.09 -0.04 1.46 1.71 2d23A1 LYS 166 HD2 0.07 -0.03 -0.02 -0.04 1.69 1.67 2d23A1 LYS 166 HD3 0.08 -0.05 -0.04 -0.04 1.68 1.62 2d23A1 LYS 166 HE2 0.06 0.01 0.01 -0.04 2.99 3.03 2d23A1 LYS 166 HE3 0.05 0.03 0.02 -0.04 2.99 3.05 2d23A1 LEU 167 H 0.16 0.19 0.18 -0.55 8.37 8.36 2d23A1 LEU 167 HA 0.24 0.12 0.89 -0.75 4.35 4.84 2d23A1 LEU 167 HB2 0.36 -0.05 0.22 -0.04 1.64 2.13 2d23A1 LEU 167 HB3 0.31 -0.06 0.09 -0.04 1.64 1.94 2d23A1 LEU 167 HG 0.16 0.16 0.01 -0.04 1.64 1.92 2d23A1 LEU 167 HD13 0.14 0.03 -0.02 -0.04 0.93 1.04 2d23A1 LEU 167 HD23 0.14 -0.00 -0.32 -0.04 0.89 0.66 2d23A1 CYS 168 H 0.23 0.67 0.41 -0.55 8.50 9.27 2d23A1 CYS 168 HA 0.25 0.44 1.14 -0.75 4.58 5.65 2d23A1 CYS 168 HB2 0.11 -0.09 -0.16 -0.04 2.97 2.79 2d23A1 CYS 168 HB3 0.09 -0.06 -0.32 -0.04 2.97 2.64 2d23A1 TYR 169 H 0.25 0.58 0.42 -0.55 8.29 8.99 2d23A1 TYR 169 HA 0.31 0.14 0.92 -0.75 4.56 5.18 2d23A1 TYR 169 HB2 0.26 0.05 0.08 -0.04 3.06 3.41 2d23A1 TYR 169 HB3 0.05 0.03 0.22 -0.04 2.98 3.24 2d23A1 TYR 169 HD2 0.09 0.01 -0.10 -0.04 7.15 7.11 2d23A1 TYR 169 HE2 0.05 -0.06 -0.19 -0.04 6.85 6.61 2d23A1 ASN 170 H -0.50 0.72 0.39 -0.55 8.53 8.60 2d23A1 ASN 170 HA -0.31 0.31 1.10 -0.75 4.76 5.11 2d23A1 ASN 170 HB2 -0.10 0.03 -0.15 -0.04 2.88 2.61 2d23A1 ASN 170 HB3 -0.15 -0.03 0.04 -0.04 2.79 2.62 2d23A1 ASN 170 HD21 -0.17 -0.01 -0.21 -0.04 7.03 6.60 2d23A1 ASN 170 HD22 -0.03 -0.01 -0.17 -0.04 7.74 7.48 2d23A1 ASP 171 H -0.28 0.62 0.36 -0.55 8.40 8.54 2d23A1 ASP 171 HA -0.16 -0.02 0.63 -0.75 4.63 4.34 2d23A1 ASP 171 HB2 -0.15 0.06 -0.33 -0.04 2.71 2.25 2d23A1 ASP 171 HB3 -0.13 0.07 -0.10 -0.04 2.70 2.50 2d23A1 TYR 172 H -0.33 0.24 0.19 -0.55 8.29 7.84 2d23A1 TYR 172 HA -0.14 0.02 0.99 -0.75 4.56 4.67 2d23A1 TYR 172 HB2 -0.02 -0.02 0.12 -0.04 3.06 3.10 2d23A1 TYR 172 HB3 -0.07 0.04 -0.02 -0.04 2.98 2.90 2d23A1 TYR 172 HD2 -0.26 -0.04 -0.06 -0.04 7.15 6.74 2d23A1 TYR 172 HE2 -0.01 0.03 -0.01 -0.04 6.85 6.82 2d23A1 ASN 173 H -0.00 0.11 0.16 -0.55 8.53 8.25 2d23A1 ASN 173 HA -0.20 0.03 0.35 -0.75 4.76 4.18 2d23A1 ASN 173 HB2 -0.11 0.17 -0.16 -0.04 2.88 2.74 2d23A1 ASN 173 HB3 0.17 0.00 0.26 -0.04 2.79 3.19 2d23A1 ASN 173 HD21 0.36 0.05 -0.00 -0.04 7.03 7.40 2d23A1 ASN 173 HD22 0.40 0.02 0.01 -0.04 7.74 8.13 2d23A1 ILE 174 H -0.07 0.02 -0.34 -0.55 8.25 7.31 2d23A1 ILE 174 HA 0.03 0.18 0.68 -0.75 4.18 4.30 2d23A1 ILE 174 HB 0.03 0.11 0.02 -0.04 1.89 2.01 2d23A1 ILE 174 HG12 -0.12 -0.17 -0.45 -0.04 1.49 0.72 2d23A1 ILE 174 HG13 0.08 0.01 -0.31 -0.04 1.21 0.94 2d23A1 ILE 174 HG23 -0.09 0.05 -0.40 -0.04 0.93 0.45 2d23A1 ILE 174 HD13 -0.48 0.06 -0.10 -0.04 0.88 0.31 2d23A1 GLU 175 H -0.12 -0.04 -0.15 -0.55 8.60 7.74 2d23A1 GLU 175 HA 0.29 0.26 0.60 -0.75 4.29 4.69 2d23A1 GLU 175 HB2 -0.15 -0.00 0.02 -0.04 2.09 1.92 2d23A1 GLU 175 HB3 -0.55 0.05 -0.00 -0.04 1.99 1.45 2d23A1 GLU 175 HG2 -0.65 0.07 -0.01 -0.04 2.34 1.71 2d23A1 GLU 175 HG3 -0.18 0.12 -0.06 -0.04 2.34 2.18 2d23A1 ASN 176 H -0.34 0.03 -0.12 -0.55 8.53 7.56 2d23A1 ASN 176 HA -0.03 0.06 0.52 -0.75 4.76 4.55 2d23A1 ASN 176 HB2 -0.58 0.08 0.04 -0.04 2.88 2.37 2d23A1 ASN 176 HB3 -1.04 -0.02 0.09 -0.04 2.79 1.78 2d23A1 ASN 176 HD21 0.12 0.04 -0.05 -0.04 7.03 7.11 2d23A1 ASN 176 HD22 -0.10 0.11 -0.05 -0.04 7.74 7.66 2d23A1 TRP 177 H 0.29 0.18 0.04 -0.55 7.97 7.93 2d23A1 TRP 177 HA 0.08 0.13 0.18 -0.75 4.62 4.25 2d23A1 TRP 177 HB2 0.01 0.06 0.06 -0.04 3.23 3.32 2d23A1 TRP 177 HB3 0.01 -0.07 0.02 -0.04 3.23 3.15 2d23A1 TRP 177 HD1 -0.02 -0.04 -0.16 -0.04 7.22 6.96 2d23A1 TRP 177 HE1 -0.09 0.02 -0.07 -0.04 10.20 10.03 2d23A1 TRP 177 HE3 0.08 -0.04 -0.05 -0.04 7.59 7.54 2d23A1 TRP 177 HZ2 -0.36 0.02 -0.05 -0.04 7.44 7.02 2d23A1 TRP 177 HZ3 -0.41 0.04 -0.06 -0.04 7.13 6.66 2d23A1 TRP 177 HH2 -1.90 0.05 -0.06 -0.04 7.19 5.23 2d23A1 THR 178 H 0.19 -0.05 -0.43 -0.55 8.28 7.45 2d23A1 THR 178 HA -0.11 0.22 0.50 -0.75 4.39 4.24 2d23A1 THR 178 HB 0.08 0.05 0.07 -0.04 4.32 4.48 2d23A1 THR 178 HG23 0.15 -0.01 -0.05 -0.04 1.22 1.27 2d23A1 TRP 179 H 0.32 0.39 -0.28 -0.55 7.97 7.85 2d23A1 TRP 179 HA -0.05 0.12 0.58 -0.75 4.62 4.52 2d23A1 TRP 179 HB2 -0.01 0.12 0.12 -0.04 3.23 3.42 2d23A1 TRP 179 HB3 -0.02 -0.14 0.08 -0.04 3.23 3.11 2d23A1 TRP 179 HD1 -0.00 -0.12 -0.20 -0.04 7.22 6.85 2d23A1 TRP 179 HE1 0.02 0.04 -0.03 -0.04 10.20 10.18 2d23A1 TRP 179 HE3 0.01 0.01 0.11 -0.04 7.59 7.68 2d23A1 TRP 179 HZ2 0.04 0.08 0.05 -0.04 7.44 7.56 2d23A1 TRP 179 HZ3 0.05 -0.01 0.08 -0.04 7.13 7.21 2d23A1 TRP 179 HH2 0.06 0.11 0.10 -0.04 7.19 7.42 2d23A1 ALA 180 H -0.01 0.19 0.17 -0.55 8.40 8.21 2d23A1 ALA 180 HA -0.04 0.16 0.35 -0.75 4.34 4.06 2d23A1 ALA 180 HB3 -0.02 0.02 -0.08 -0.04 1.41 1.28 2d23A1 LYS 181 H 0.16 0.08 -0.17 -0.55 8.42 7.93 2d23A1 LYS 181 HA 0.09 0.04 0.40 -0.75 4.32 4.09 2d23A1 LYS 181 HB2 0.16 -0.04 0.13 -0.04 1.87 2.07 2d23A1 LYS 181 HB3 0.18 0.15 0.09 -0.04 1.79 2.17 2d23A1 LYS 181 HG2 -0.02 -0.05 -0.22 -0.04 1.46 1.13 2d23A1 LYS 181 HG3 0.11 -0.01 -0.05 -0.04 1.46 1.48 2d23A1 LYS 181 HD2 0.03 -0.02 -0.06 -0.04 1.69 1.60 2d23A1 LYS 181 HD3 -0.06 0.10 -0.04 -0.04 1.68 1.63 2d23A1 LYS 181 HE2 -0.19 -0.11 -0.08 -0.04 2.99 2.58 2d23A1 LYS 181 HE3 -0.01 0.06 -0.31 -0.04 2.99 2.69 2d23A1 THR 182 H 0.12 0.12 -0.29 -0.55 8.28 7.69 2d23A1 THR 182 HA 0.08 -0.01 0.32 -0.75 4.39 4.03 2d23A1 THR 182 HB -0.04 0.27 -0.04 -0.04 4.32 4.46 2d23A1 THR 182 HG23 0.34 0.03 -0.23 -0.04 1.22 1.31 2d23A1 GLN 183 H -0.10 0.32 -0.32 -0.55 8.47 7.82 2d23A1 GLN 183 HA -0.19 0.06 0.44 -0.75 4.36 3.91 2d23A1 GLN 183 HB2 -0.11 0.08 0.10 -0.04 2.15 2.17 2d23A1 GLN 183 HB3 -0.13 -0.02 0.00 -0.04 2.02 1.83 2d23A1 GLN 183 HG2 -0.36 0.17 -0.08 -0.04 2.40 2.09 2d23A1 GLN 183 HG3 -0.31 -0.02 -0.05 -0.04 2.39 1.97 2d23A1 GLN 183 HE21 -3.91 -0.08 -0.05 -0.04 6.97 2.88 2d23A1 GLN 183 HE22 -1.23 0.30 -0.01 -0.04 7.69 6.72 2d23A1 GLY 184 H -0.05 0.46 -0.11 -0.55 8.43 8.19 2d23A1 GLY 184 HA2 0.04 0.04 0.45 -0.51 4.01 4.04 2d23A1 GLY 184 HA3 0.06 0.14 0.36 -0.51 4.01 4.07 2d23A1 VAL 185 H -0.39 0.46 -0.20 -0.55 8.24 7.55 2d23A1 VAL 185 HA -0.81 -0.01 0.38 -0.75 4.13 2.93 2d23A1 VAL 185 HB -0.04 0.15 0.07 -0.04 2.12 2.26 2d23A1 VAL 185 HG13 -0.08 -0.01 -0.16 -0.04 0.97 0.68 2d23A1 VAL 185 HG23 -0.65 0.00 -0.06 -0.04 0.95 0.20 2d23A1 TYR 186 H 0.16 0.53 -0.15 -0.55 8.29 8.28 2d23A1 TYR 186 HA -0.26 0.02 0.36 -0.75 4.56 3.92 2d23A1 TYR 186 HB2 -0.10 0.05 0.09 -0.04 3.06 3.06 2d23A1 TYR 186 HB3 -0.16 0.06 0.18 -0.04 2.98 3.02 2d23A1 TYR 186 HD2 -0.78 -0.01 -0.09 -0.04 7.15 6.22 2d23A1 TYR 186 HE2 -0.11 0.10 -0.15 -0.04 6.85 6.65 2d23A1 ASN 187 H -0.02 0.74 -0.12 -0.55 8.53 8.58 2d23A1 ASN 187 HA -0.22 0.02 0.41 -0.75 4.76 4.22 2d23A1 ASN 187 HB2 -0.04 0.11 0.15 -0.04 2.88 3.06 2d23A1 ASN 187 HB3 -0.06 -0.07 0.02 -0.04 2.79 2.65 2d23A1 ASN 187 HD21 0.00 -0.09 -0.07 -0.04 7.03 6.84 2d23A1 ASN 187 HD22 0.00 -0.02 -0.11 -0.04 7.74 7.57 2d23A1 MET 188 H -0.20 0.47 -0.21 -0.55 8.47 7.98 2d23A1 MET 188 HA -0.37 -0.00 0.42 -0.75 4.52 3.81 2d23A1 MET 188 HB2 -0.09 0.01 0.11 -0.04 2.15 2.13 2d23A1 MET 188 HB3 -0.38 0.09 0.17 -0.04 2.03 1.87 2d23A1 MET 188 HG2 -1.48 0.04 -0.30 -0.04 2.63 0.85 2d23A1 MET 188 HG3 -0.82 -0.04 -0.00 -0.04 2.56 1.66 2d23A1 MET 188 HE3 -0.73 0.01 -0.08 -0.04 2.10 1.26 2d23A1 VAL 189 H -0.29 0.66 -0.04 -0.55 8.24 8.03 2d23A1 VAL 189 HA -0.24 -0.02 0.37 -0.75 4.13 3.48 2d23A1 VAL 189 HB -0.06 0.10 0.10 -0.04 2.12 2.22 2d23A1 VAL 189 HG13 0.07 0.01 -0.15 -0.04 0.97 0.86 2d23A1 VAL 189 HG23 0.03 0.02 -0.00 -0.04 0.95 0.95 2d23A1 ARG 190 H -0.38 0.59 -0.15 -0.55 8.46 7.97 2d23A1 ARG 190 HA -0.20 0.09 0.43 -0.75 4.34 3.90 2d23A1 ARG 190 HB2 -0.64 0.03 0.11 -0.04 1.90 1.36 2d23A1 ARG 190 HB3 -0.33 0.04 0.17 -0.04 1.80 1.64 2d23A1 ARG 190 HG2 -0.13 -0.03 -0.20 -0.04 1.67 1.27 2d23A1 ARG 190 HG3 -0.16 0.03 0.03 -0.04 1.67 1.53 2d23A1 ARG 190 HD2 -0.07 -0.02 -0.03 -0.04 3.22 3.06 2d23A1 ARG 190 HD3 -0.21 0.01 -0.02 -0.04 3.22 2.97 2d23A1 ASP 191 H -0.21 0.60 -0.09 -0.55 8.40 8.15 2d23A1 ASP 191 HA -0.05 -0.01 0.41 -0.75 4.63 4.22 2d23A1 ASP 191 HB2 -0.09 -0.01 0.14 -0.04 2.71 2.70 2d23A1 ASP 191 HB3 -0.20 0.13 0.22 -0.04 2.70 2.81 2d23A1 PHE 192 H -0.11 0.62 -0.15 -0.55 8.34 8.15 2d23A1 PHE 192 HA -0.08 -0.09 0.40 -0.75 4.62 4.08 2d23A1 PHE 192 HB2 -0.15 0.17 0.20 -0.04 3.15 3.33 2d23A1 PHE 192 HB3 -0.16 0.07 -0.04 -0.04 3.06 2.89 2d23A1 PHE 192 HD2 -0.23 0.00 -0.09 -0.04 7.28 6.92 2d23A1 PHE 192 HE2 -0.17 -0.06 -0.10 -0.04 7.38 7.01 2d23A1 PHE 192 HZ -0.13 -0.17 -0.10 -0.04 7.32 6.88 2d23A1 LYS 193 H 0.04 0.60 -0.05 -0.55 8.42 8.46 2d23A1 LYS 193 HA 0.02 0.07 0.46 -0.75 4.32 4.11 2d23A1 LYS 193 HB2 -0.02 0.04 0.18 -0.04 1.87 2.03 2d23A1 LYS 193 HB3 -0.00 0.02 0.10 -0.04 1.79 1.87 2d23A1 LYS 193 HG2 0.00 0.15 0.08 -0.04 1.46 1.66 2d23A1 LYS 193 HG3 0.00 0.11 -0.04 -0.04 1.46 1.48 2d23A1 LYS 193 HD2 0.01 -0.06 0.01 -0.04 1.69 1.61 2d23A1 LYS 193 HD3 0.02 -0.04 -0.04 -0.04 1.68 1.57 2d23A1 LYS 193 HE2 0.02 0.11 -0.06 -0.04 2.99 3.02 2d23A1 LYS 193 HE3 0.01 -0.07 0.09 -0.04 2.99 2.97 2d23A1 GLN 194 H -0.00 0.50 -0.13 -0.55 8.47 8.29 2d23A1 GLN 194 HA -0.00 0.05 0.48 -0.75 4.36 4.13 2d23A1 GLN 194 HB2 -0.01 0.06 0.16 -0.04 2.15 2.32 2d23A1 GLN 194 HB3 -0.01 -0.09 0.06 -0.04 2.02 1.94 2d23A1 GLN 194 HG2 -0.02 -0.04 0.04 -0.04 2.40 2.34 2d23A1 GLN 194 HG3 -0.04 0.38 0.10 -0.04 2.39 2.79 2d23A1 GLN 194 HE21 -0.02 -0.07 -0.02 -0.04 6.97 6.81 2d23A1 GLN 194 HE22 -0.02 0.02 -0.01 -0.04 7.69 7.64 2d23A1 ARG 195 H 0.03 0.47 -0.13 -0.55 8.46 8.28 2d23A1 ARG 195 HA 0.01 0.10 0.71 -0.75 4.34 4.40 2d23A1 ARG 195 HB2 0.05 0.02 0.09 -0.04 1.90 2.01 2d23A1 ARG 195 HB3 0.02 -0.08 0.12 -0.04 1.80 1.82 2d23A1 ARG 195 HG2 0.02 -0.01 -0.04 -0.04 1.67 1.60 2d23A1 ARG 195 HG3 0.03 0.15 0.04 -0.04 1.67 1.86 2d23A1 ARG 195 HD2 0.03 -0.04 0.00 -0.04 3.22 3.18 2d23A1 ARG 195 HD3 0.03 -0.05 -0.01 -0.04 3.22 3.15 2d23A1 GLY 196 H 0.01 0.31 -0.38 -0.55 8.43 7.82 2d23A1 GLY 196 HA2 -0.01 0.08 0.27 -0.51 4.01 3.84 2d23A1 GLY 196 HA3 -0.01 0.04 0.56 -0.51 4.01 4.09 2d23A1 VAL 197 H -0.04 0.47 0.02 -0.55 8.24 8.14 2d23A1 VAL 197 HA -0.15 0.05 0.41 -0.75 4.13 3.69 2d23A1 VAL 197 HB -0.34 -0.07 0.09 -0.04 2.12 1.76 2d23A1 VAL 197 HG13 -0.88 -0.03 -0.17 -0.04 0.97 -0.15 2d23A1 VAL 197 HG23 -0.23 -0.01 -0.00 -0.04 0.95 0.66 2d23A1 PRO 198 HA -0.02 0.14 0.46 -0.51 4.44 4.51 2d23A1 PRO 198 HB2 0.05 0.01 0.10 -0.04 2.28 2.40 2d23A1 PRO 198 HB3 0.01 0.08 0.10 -0.04 2.02 2.16 2d23A1 PRO 198 HG2 0.05 -0.08 -0.17 -0.04 2.03 1.78 2d23A1 PRO 198 HG3 0.01 0.02 0.05 -0.04 2.03 2.08 2d23A1 PRO 198 HD2 -0.10 -0.05 0.16 -0.04 3.68 3.65 2d23A1 PRO 198 HD3 -0.04 0.28 0.24 -0.04 3.65 4.08 2d23A1 ILE 199 H -0.06 0.51 0.26 -0.55 8.25 8.41 2d23A1 ILE 199 HA -0.03 0.08 0.84 -0.75 4.18 4.32 2d23A1 ILE 199 HB -0.69 -0.08 -0.15 -0.04 1.89 0.93 2d23A1 ILE 199 HG12 -0.00 0.01 -0.19 -0.04 1.49 1.26 2d23A1 ILE 199 HG13 -0.15 0.00 0.06 -0.04 1.21 1.08 2d23A1 ILE 199 HG23 -0.02 0.07 -0.01 -0.04 0.93 0.92 2d23A1 ILE 199 HD13 -0.07 -0.03 -0.05 -0.04 0.88 0.69 2d23A1 ASP 200 H 0.13 0.47 0.36 -0.55 8.40 8.81 2d23A1 ASP 200 HA 0.06 0.31 1.08 -0.75 4.63 5.33 2d23A1 ASP 200 HB2 0.11 -0.11 0.06 -0.04 2.71 2.73 2d23A1 ASP 200 HB3 0.08 0.04 0.15 -0.04 2.70 2.93 2d23A1 CYS 201 H 0.13 0.38 0.28 -0.55 8.50 8.74 2d23A1 CYS 201 HA 0.11 0.39 0.69 -0.75 4.58 5.02 2d23A1 CYS 201 HB2 0.10 -0.07 -0.29 -0.04 2.97 2.68 2d23A1 CYS 201 HB3 0.10 0.12 -0.24 -0.04 2.97 2.91 2d23A1 VAL 202 H 0.11 0.59 0.24 -0.55 8.24 8.64 2d23A1 VAL 202 HA 0.02 0.11 1.06 -0.75 4.13 4.56 2d23A1 VAL 202 HB -0.02 0.04 0.11 -0.04 2.12 2.21 2d23A1 VAL 202 HG13 -0.85 -0.02 -0.15 -0.04 0.97 -0.10 2d23A1 VAL 202 HG23 0.17 0.01 -0.14 -0.04 0.95 0.95 2d23A1 GLY 203 H -0.15 0.76 0.28 -0.55 8.43 8.78 2d23A1 GLY 203 HA2 0.03 0.27 0.91 -0.51 4.01 4.71 2d23A1 GLY 203 HA3 -0.08 -0.05 0.23 -0.51 4.01 3.60 2d23A1 PHE 204 H 0.26 0.86 0.39 -0.55 8.34 9.30 2d23A1 PHE 204 HA -0.09 0.14 0.91 -0.75 4.62 4.82 2d23A1 PHE 204 HB2 0.18 0.07 0.18 -0.04 3.15 3.53 2d23A1 PHE 204 HB3 0.05 -0.17 0.00 -0.04 3.06 2.91 2d23A1 PHE 204 HD2 0.02 -0.04 -0.14 -0.04 7.28 7.08 2d23A1 PHE 204 HE2 -0.18 0.14 -0.05 -0.04 7.38 7.25 2d23A1 PHE 204 HZ -1.25 0.07 -0.11 -0.04 7.32 5.99 2d23A1 GLN 205 H -0.13 0.65 0.26 -0.55 8.47 8.70 2d23A1 GLN 205 HA -0.30 -0.03 0.30 -0.75 4.36 3.58 2d23A1 GLN 205 HB2 -0.10 -0.15 0.06 -0.04 2.15 1.92 2d23A1 GLN 205 HB3 -0.39 0.08 -0.07 -0.04 2.02 1.59 2d23A1 GLN 205 HG2 -0.26 0.05 -0.16 -0.04 2.40 1.99 2d23A1 GLN 205 HG3 -0.15 0.17 -0.13 -0.04 2.39 2.25 2d23A1 GLN 205 HE21 0.26 0.01 -0.15 -0.04 6.97 7.04 2d23A1 GLN 205 HE22 -0.01 0.03 -0.31 -0.04 7.69 7.36 2d23A1 SER 206 H -0.31 -0.03 -0.16 -0.55 8.46 7.42 2d23A1 SER 206 HA -1.06 -0.06 0.24 -0.75 4.49 2.86 2d23A1 SER 206 HB2 -0.30 0.17 -0.04 -0.04 3.95 3.74 2d23A1 SER 206 HB3 -0.54 -0.02 0.16 -0.04 3.93 3.49 2d23A1 HIS 207 H -0.35 -0.06 -0.11 -0.55 8.41 7.35 2d23A1 HIS 207 HA -0.10 0.27 0.80 -0.75 4.63 4.85 2d23A1 HIS 207 HB2 -0.03 -0.14 0.16 -0.04 3.26 3.21 2d23A1 HIS 207 HB3 0.11 0.03 0.05 -0.04 3.20 3.35 2d23A1 HIS 207 HD2 -0.18 -0.16 -0.07 -0.04 6.97 6.52 2d23A1 HIS 207 HE1 -0.62 -0.02 -0.01 -0.04 7.75 7.06 2d23A1 PHE 208 H -0.11 0.58 0.23 -0.55 8.34 8.48 2d23A1 PHE 208 HA -0.00 0.31 0.79 -0.75 4.62 4.96 2d23A1 PHE 208 HB2 -0.05 0.02 0.19 -0.04 3.15 3.26 2d23A1 PHE 208 HB3 -0.00 -0.12 0.09 -0.04 3.06 2.99 2d23A1 PHE 208 HD2 -0.13 0.18 -0.12 -0.04 7.28 7.17 2d23A1 PHE 208 HE2 -0.26 0.01 -0.05 -0.04 7.38 7.03 2d23A1 PHE 208 HZ -0.99 0.03 -0.02 -0.04 7.32 6.30 2d23A1 ASN 209 H 0.18 0.53 0.07 -0.55 8.53 8.77 2d23A1 ASN 209 HA 0.09 0.11 0.54 -0.75 4.76 4.74 2d23A1 ASN 209 HB2 0.05 -0.04 0.16 -0.04 2.88 3.01 2d23A1 ASN 209 HB3 0.06 0.16 -0.01 -0.04 2.79 2.96 2d23A1 ASN 209 HD21 0.04 0.04 -0.08 -0.04 7.03 6.99 2d23A1 ASN 209 HD22 0.01 0.05 -0.17 -0.04 7.74 7.60 2d23A1 SER 210 H 0.06 0.21 0.13 -0.55 8.46 8.32 2d23A1 SER 210 HA 0.07 0.10 0.38 -0.75 4.49 4.28 2d23A1 SER 210 HB2 0.05 0.07 0.13 -0.04 3.95 4.15 2d23A1 SER 210 HB3 0.04 0.01 0.12 -0.04 3.93 4.07 2d23A1 GLY 211 H 0.08 -0.07 -0.51 -0.55 8.43 7.38 2d23A1 GLY 211 HA2 0.10 0.16 0.58 -0.51 4.01 4.34 2d23A1 GLY 211 HA3 0.10 -0.01 0.23 -0.51 4.01 3.83 2d23A1 SER 212 H 0.13 0.04 -0.25 -0.55 8.46 7.84 2d23A1 SER 212 HA 0.24 0.18 0.70 -0.75 4.49 4.86 2d23A1 SER 212 HB2 0.11 -0.00 0.22 -0.04 3.95 4.24 2d23A1 SER 212 HB3 -0.05 -0.08 0.14 -0.04 3.93 3.91 2d23A1 PRO 213 HA 0.10 -0.07 0.55 -0.51 4.44 4.50 2d23A1 PRO 213 HB2 0.01 0.12 -0.01 -0.04 2.28 2.37 2d23A1 PRO 213 HB3 0.06 -0.01 0.04 -0.04 2.02 2.07 2d23A1 PRO 213 HG2 0.06 -0.03 -0.05 -0.04 2.03 1.97 2d23A1 PRO 213 HG3 0.08 0.07 -0.00 -0.04 2.03 2.14 2d23A1 PRO 213 HD2 0.20 0.09 -0.02 -0.04 3.68 3.91 2d23A1 PRO 213 HD3 0.13 0.24 -0.37 -0.04 3.65 3.62 2d23A1 TYR 214 H -0.11 0.06 0.14 -0.55 8.29 7.84 2d23A1 TYR 214 HA -1.05 0.03 0.47 -0.75 4.56 3.26 2d23A1 TYR 214 HB2 -1.54 0.02 0.08 -0.04 3.06 1.58 2d23A1 TYR 214 HB3 -0.47 -0.03 0.08 -0.04 2.98 2.53 2d23A1 TYR 214 HD2 -0.62 -0.02 -0.14 -0.04 7.15 6.32 2d23A1 TYR 214 HE2 0.07 0.02 -0.14 -0.04 6.85 6.76 2d23A1 ASN 215 H -0.99 0.23 0.17 -0.55 8.53 7.40 2d23A1 ASN 215 HA -0.38 0.22 0.73 -0.75 4.76 4.57 2d23A1 ASN 215 HB2 -0.18 0.18 -0.14 -0.04 2.88 2.70 2d23A1 ASN 215 HB3 -0.23 -0.10 0.03 -0.04 2.79 2.45 2d23A1 ASN 215 HD21 -0.02 0.05 0.02 -0.04 7.03 7.05 2d23A1 ASN 215 HD22 -0.04 0.10 0.01 -0.04 7.74 7.77 2d23A1 SER 216 H -0.24 0.26 0.11 -0.55 8.46 8.05 2d23A1 SER 216 HA -0.15 0.11 0.38 -0.75 4.49 4.08 2d23A1 SER 216 HB2 -0.00 0.09 0.09 -0.04 3.95 4.09 2d23A1 SER 216 HB3 0.01 0.05 0.11 -0.04 3.93 4.06 2d23A1 ASN 217 H -0.12 0.05 -0.41 -0.55 8.53 7.50 2d23A1 ASN 217 HA -0.04 0.15 0.44 -0.75 4.76 4.56 2d23A1 ASN 217 HB2 0.06 0.05 0.14 -0.04 2.88 3.10 2d23A1 ASN 217 HB3 0.01 0.07 0.07 -0.04 2.79 2.91 2d23A1 ASN 217 HD21 0.09 -0.05 -0.02 -0.04 7.03 7.00 2d23A1 ASN 217 HD22 0.09 0.13 -0.01 -0.04 7.74 7.91 2d23A1 PHE 218 H -0.07 0.50 -0.47 -0.55 8.34 7.75 2d23A1 PHE 218 HA -0.07 0.30 0.51 -0.75 4.62 4.61 2d23A1 PHE 218 HB2 -0.19 -0.09 0.11 -0.04 3.15 2.94 2d23A1 PHE 218 HB3 -0.06 0.05 0.08 -0.04 3.06 3.08 2d23A1 PHE 218 HD2 0.10 0.10 0.08 -0.04 7.28 7.52 2d23A1 PHE 218 HE2 -0.23 0.04 -0.02 -0.04 7.38 7.13 2d23A1 PHE 218 HZ -0.07 0.03 -0.04 -0.04 7.32 7.20 2d23A1 ARG 219 H -0.04 0.38 -0.14 -0.55 8.46 8.10 2d23A1 ARG 219 HA -0.34 0.10 0.40 -0.75 4.34 3.75 2d23A1 ARG 219 HB2 -0.06 -0.01 0.14 -0.04 1.90 1.92 2d23A1 ARG 219 HB3 -0.08 0.01 0.10 -0.04 1.80 1.78 2d23A1 ARG 219 HG2 -0.13 -0.03 -0.14 -0.04 1.67 1.33 2d23A1 ARG 219 HG3 -0.13 0.13 0.08 -0.04 1.67 1.70 2d23A1 ARG 219 HD2 -0.06 -0.05 -0.03 -0.04 3.22 3.04 2d23A1 ARG 219 HD3 -0.07 0.10 -0.02 -0.04 3.22 3.19 2d23A1 THR 220 H -0.12 0.11 -0.26 -0.55 8.28 7.46 2d23A1 THR 220 HA -0.22 0.09 0.40 -0.75 4.39 3.90 2d23A1 THR 220 HB -0.20 0.09 0.16 -0.04 4.32 4.33 2d23A1 THR 220 HG23 -0.49 0.01 -0.04 -0.04 1.22 0.66 2d23A1 THR 221 H -0.06 0.40 -0.11 -0.55 8.28 7.95 2d23A1 THR 221 HA -0.01 0.01 0.39 -0.75 4.39 4.03 2d23A1 THR 221 HB 0.11 0.16 0.23 -0.04 4.32 4.77 2d23A1 THR 221 HG23 0.58 0.02 -0.10 -0.04 1.22 1.67 2d23A1 LEU 222 H -0.34 0.53 -0.12 -0.55 8.37 7.90 2d23A1 LEU 222 HA -0.28 -0.01 0.39 -0.75 4.35 3.69 2d23A1 LEU 222 HB2 -0.36 0.17 0.14 -0.04 1.64 1.55 2d23A1 LEU 222 HB3 -0.30 0.00 -0.02 -0.04 1.64 1.28 2d23A1 LEU 222 HG -1.22 0.17 0.04 -0.04 1.64 0.59 2d23A1 LEU 222 HD13 -0.74 -0.01 -0.15 -0.04 0.93 -0.01 2d23A1 LEU 222 HD23 -0.94 -0.03 -0.07 -0.04 0.89 -0.19 2d23A1 GLN 223 H -0.18 0.57 -0.13 -0.55 8.47 8.18 2d23A1 GLN 223 HA -0.07 0.02 0.46 -0.75 4.36 4.01 2d23A1 GLN 223 HB2 -0.18 0.03 0.17 -0.04 2.15 2.13 2d23A1 GLN 223 HB3 -0.12 -0.03 0.05 -0.04 2.02 1.87 2d23A1 GLN 223 HG2 -0.10 -0.00 0.03 -0.04 2.40 2.29 2d23A1 GLN 223 HG3 -0.15 0.14 0.08 -0.04 2.39 2.42 2d23A1 GLN 223 HE21 -0.08 -0.06 -0.03 -0.04 6.97 6.77 2d23A1 GLN 223 HE22 -0.08 0.14 -0.00 -0.04 7.69 7.71 2d23A1 ASN 224 H -0.22 0.59 -0.14 -0.55 8.53 8.21 2d23A1 ASN 224 HA -0.18 0.04 0.46 -0.75 4.76 4.32 2d23A1 ASN 224 HB2 -0.61 0.06 0.14 -0.04 2.88 2.43 2d23A1 ASN 224 HB3 -0.64 -0.04 -0.01 -0.04 2.79 2.06 2d23A1 ASN 224 HD21 -1.67 -0.09 -0.09 -0.04 7.03 5.14 2d23A1 ASN 224 HD22 -3.48 -0.05 -0.09 -0.04 7.74 4.07 2d23A1 PHE 225 H 0.32 0.50 -0.14 -0.55 8.34 8.48 2d23A1 PHE 225 HA 0.28 0.04 0.49 -0.75 4.62 4.68 2d23A1 PHE 225 HB2 0.23 0.09 0.13 -0.04 3.15 3.56 2d23A1 PHE 225 HB3 0.24 0.01 -0.08 -0.04 3.06 3.19 2d23A1 PHE 225 HD2 0.27 0.23 -0.00 -0.04 7.28 7.74 2d23A1 PHE 225 HE2 0.32 -0.02 -0.14 -0.04 7.38 7.49 2d23A1 PHE 225 HZ 0.23 -0.01 -0.06 -0.04 7.32 7.43 2d23A1 ALA 226 H 0.15 0.54 -0.11 -0.55 8.40 8.43 2d23A1 ALA 226 HA 0.10 0.32 0.45 -0.75 4.34 4.47 2d23A1 ALA 226 HB3 0.02 -0.00 0.11 -0.04 1.41 1.50 2d23A1 ALA 227 H 0.03 0.44 -0.33 -0.55 8.40 7.99 2d23A1 ALA 227 HA 0.01 0.01 0.40 -0.75 4.34 4.01 2d23A1 ALA 227 HB3 -0.01 0.02 0.11 -0.04 1.41 1.49 2d23A1 LEU 228 H 0.07 0.40 -0.59 -0.55 8.37 7.70 2d23A1 LEU 228 HA -0.01 0.03 0.53 -0.75 4.35 4.15 2d23A1 LEU 228 HB2 0.04 0.19 0.06 -0.04 1.64 1.89 2d23A1 LEU 228 HB3 -0.05 -0.06 0.06 -0.04 1.64 1.55 2d23A1 LEU 228 HG 0.01 0.20 0.10 -0.04 1.64 1.91 2d23A1 LEU 228 HD13 -0.48 -0.05 -0.04 -0.04 0.93 0.33 2d23A1 LEU 228 HD23 -0.22 -0.03 0.00 -0.04 0.89 0.61 2d23A1 GLY 229 H 0.04 0.49 -0.33 -0.55 8.43 8.09 2d23A1 GLY 229 HA2 0.03 -0.01 0.28 -0.51 4.01 3.80 2d23A1 GLY 229 HA3 0.02 0.11 0.70 -0.51 4.01 4.32 2d23A1 VAL 230 H 0.09 0.22 0.07 -0.55 8.24 8.07 2d23A1 VAL 230 HA 0.07 0.26 0.95 -0.75 4.13 4.65 2d23A1 VAL 230 HB 0.11 -0.04 -0.30 -0.04 2.12 1.85 2d23A1 VAL 230 HG13 0.06 0.02 -0.30 -0.04 0.97 0.71 2d23A1 VAL 230 HG23 0.20 -0.01 -0.23 -0.04 0.95 0.86 2d23A1 ASP 231 H 0.08 0.64 0.37 -0.55 8.40 8.94 2d23A1 ASP 231 HA 0.07 0.11 0.68 -0.75 4.63 4.73 2d23A1 ASP 231 HB2 0.09 -0.08 0.11 -0.04 2.71 2.79 2d23A1 ASP 231 HB3 0.07 0.08 0.21 -0.04 2.70 3.02 2d23A1 VAL 232 H 0.07 0.65 0.31 -0.55 8.24 8.72 2d23A1 VAL 232 HA 0.18 0.16 0.98 -0.75 4.13 4.70 2d23A1 VAL 232 HB 0.16 -0.09 0.08 -0.04 2.12 2.23 2d23A1 VAL 232 HG13 0.20 0.04 -0.18 -0.04 0.97 0.99 2d23A1 VAL 232 HG23 -0.03 -0.01 -0.16 -0.04 0.95 0.70 2d23A1 ALA 233 H 0.23 0.47 0.33 -0.55 8.40 8.89 2d23A1 ALA 233 HA 0.04 0.18 0.79 -0.75 4.34 4.60 2d23A1 ALA 233 HB3 0.12 0.02 -0.18 -0.04 1.41 1.33 2d23A1 ILE 234 H 0.02 0.61 0.27 -0.55 8.25 8.60 2d23A1 ILE 234 HA 0.16 0.13 0.80 -0.75 4.18 4.52 2d23A1 ILE 234 HB 0.01 0.01 0.31 -0.04 1.89 2.18 2d23A1 ILE 234 HG12 0.27 -0.05 -0.02 -0.04 1.49 1.65 2d23A1 ILE 234 HG13 0.03 0.05 -0.01 -0.04 1.21 1.23 2d23A1 ILE 234 HG23 0.09 -0.02 -0.03 -0.04 0.93 0.92 2d23A1 ILE 234 HD13 0.12 -0.00 -0.03 -0.04 0.88 0.92 2d23A1 THR 235 H -0.01 0.37 -0.02 -0.55 8.28 8.08 2d23A1 THR 235 HA 0.01 0.24 0.76 -0.75 4.39 4.64 2d23A1 THR 235 HB -0.13 0.02 -0.20 -0.04 4.32 3.97 2d23A1 THR 235 HG23 0.00 0.04 -0.31 -0.04 1.22 0.91 2d23A1 GLU 236 H -0.25 0.26 0.06 -0.55 8.60 8.13 2d23A1 GLU 236 HA 0.10 0.16 0.53 -0.75 4.29 4.32 2d23A1 GLU 236 HB2 -0.96 -0.08 0.05 -0.04 2.09 1.06 2d23A1 GLU 236 HB3 -1.27 -0.04 0.05 -0.04 1.99 0.69 2d23A1 GLU 236 HG2 -1.12 0.21 -0.39 -0.04 2.34 1.00 2d23A1 GLU 236 HG3 -0.53 -0.18 -0.57 -0.04 2.34 1.02 2d23A1 LEU 237 H -0.04 0.46 0.04 -0.55 8.37 8.29 2d23A1 LEU 237 HA -0.20 0.25 0.52 -0.75 4.35 4.16 2d23A1 LEU 237 HB2 0.01 -0.05 0.08 -0.04 1.64 1.64 2d23A1 LEU 237 HB3 0.09 0.08 0.06 -0.04 1.64 1.83 2d23A1 LEU 237 HG 0.11 -0.04 -0.32 -0.04 1.64 1.34 2d23A1 LEU 237 HD13 0.03 0.02 0.04 -0.04 0.93 0.99 2d23A1 LEU 237 HD23 0.21 -0.00 -0.10 -0.04 0.89 0.95 2d23A1 ASP 238 H -0.03 0.52 0.45 -0.55 8.40 8.79 2d23A1 ASP 238 HA 0.28 0.18 0.45 -0.75 4.63 4.78 2d23A1 ASP 238 HB2 0.32 -0.06 -0.01 -0.04 2.71 2.91 2d23A1 ASP 238 HB3 0.40 0.06 0.06 -0.04 2.70 3.18 2d23A1 ILE 239 H 0.13 0.57 0.26 -0.55 8.25 8.66 2d23A1 ILE 239 HA 0.10 0.26 1.10 -0.75 4.18 4.90 2d23A1 ILE 239 HB -0.25 0.00 0.10 -0.04 1.89 1.70 2d23A1 ILE 239 HG12 0.06 -0.02 -0.07 -0.04 1.49 1.42 2d23A1 ILE 239 HG13 -0.25 -0.05 -0.48 -0.04 1.21 0.38 2d23A1 ILE 239 HG23 -0.03 -0.01 -0.16 -0.04 0.93 0.68 2d23A1 ILE 239 HD13 -0.87 -0.00 -0.22 -0.04 0.88 -0.25 2d23A1 GLN 240 H 0.09 0.60 0.27 -0.55 8.47 8.89 2d23A1 GLN 240 HA 0.07 0.18 0.47 -0.75 4.36 4.31 2d23A1 GLN 240 HB2 0.05 0.03 0.26 -0.04 2.15 2.45 2d23A1 GLN 240 HB3 0.06 -0.15 0.29 -0.04 2.02 2.18 2d23A1 GLN 240 HG2 0.04 0.07 -0.18 -0.04 2.40 2.29 2d23A1 GLN 240 HG3 0.02 0.05 0.08 -0.04 2.39 2.50 2d23A1 GLN 240 HE21 0.02 -0.01 0.02 -0.04 6.97 6.95 2d23A1 GLN 240 HE22 0.00 0.08 0.01 -0.04 7.69 7.74 2d23A1 GLY 241 H 0.07 0.80 0.22 -0.55 8.43 8.97 2d23A1 GLY 241 HA2 0.04 0.03 0.35 -0.51 4.01 3.92 2d23A1 GLY 241 HA3 0.04 0.02 0.67 -0.51 4.01 4.23 2d23A1 ALA 242 H 0.11 0.56 -0.39 -0.55 8.40 8.13 2d23A1 ALA 242 HA 0.28 -0.03 0.27 -0.75 4.34 4.11 2d23A1 ALA 242 HB3 0.18 0.01 0.03 -0.04 1.41 1.59 2d23A1 SER 243 H 0.05 0.07 -0.25 -0.55 8.46 7.79 2d23A1 SER 243 HA 0.02 0.25 0.40 -0.75 4.49 4.40 2d23A1 SER 243 HB2 0.00 0.11 0.06 -0.04 3.95 4.09 2d23A1 SER 243 HB3 -0.01 -0.01 0.09 -0.04 3.93 3.96 2d23A1 SER 244 H -0.02 0.44 0.39 -0.55 8.46 8.73 2d23A1 SER 244 HA 0.05 0.07 0.44 -0.75 4.49 4.30 2d23A1 SER 244 HB2 -0.11 -0.05 0.13 -0.04 3.95 3.88 2d23A1 SER 244 HB3 -0.05 0.07 -0.02 -0.04 3.93 3.89 2d23A1 SER 245 H -0.03 0.05 -0.07 -0.55 8.46 7.86 2d23A1 SER 245 HA -0.01 0.17 0.39 -0.75 4.49 4.29 2d23A1 SER 245 HB2 -0.02 -0.09 0.07 -0.04 3.95 3.87 2d23A1 SER 245 HB3 -0.01 0.07 -0.05 -0.04 3.93 3.89 2d23A1 THR 246 H -0.05 0.05 -0.26 -0.55 8.28 7.48 2d23A1 THR 246 HA -0.28 0.07 0.37 -0.75 4.39 3.80 2d23A1 THR 246 HB -0.15 0.09 -0.00 -0.04 4.32 4.22 2d23A1 THR 246 HG23 -0.42 -0.00 -0.07 -0.04 1.22 0.69 2d23A1 TYR 247 H 0.06 0.56 -0.26 -0.55 8.29 8.11 2d23A1 TYR 247 HA -0.02 -0.00 0.36 -0.75 4.56 4.14 2d23A1 TYR 247 HB2 -0.02 0.17 0.08 -0.04 3.06 3.25 2d23A1 TYR 247 HB3 -0.00 0.06 -0.08 -0.04 2.98 2.91 2d23A1 TYR 247 HD2 0.08 0.05 -0.14 -0.04 7.15 7.09 2d23A1 TYR 247 HE2 0.15 0.06 -0.12 -0.04 6.85 6.89 2d23A1 ALA 248 H 0.04 0.43 -0.29 -0.55 8.40 8.04 2d23A1 ALA 248 HA 0.04 0.09 0.37 -0.75 4.34 4.08 2d23A1 ALA 248 HB3 0.01 0.02 0.05 -0.04 1.41 1.44 2d23A1 ALA 249 H -0.09 0.52 -0.14 -0.55 8.40 8.13 2d23A1 ALA 249 HA -0.02 0.07 0.39 -0.75 4.34 4.03 2d23A1 ALA 249 HB3 -0.18 -0.00 0.07 -0.04 1.41 1.25 2d23A1 VAL 250 H -0.25 0.59 -0.13 -0.55 8.24 7.89 2d23A1 VAL 250 HA 0.09 -0.03 0.37 -0.75 4.13 3.81 2d23A1 VAL 250 HB -0.01 0.13 0.08 -0.04 2.12 2.29 2d23A1 VAL 250 HG13 0.27 -0.01 -0.12 -0.04 0.97 1.06 2d23A1 VAL 250 HG23 -0.29 0.01 0.01 -0.04 0.95 0.64 2d23A1 THR 251 H 0.06 0.44 -0.27 -0.55 8.28 7.96 2d23A1 THR 251 HA 0.12 0.01 0.40 -0.75 4.39 4.16 2d23A1 THR 251 HB 0.06 0.10 0.18 -0.04 4.32 4.62 2d23A1 THR 251 HG23 0.09 0.02 -0.08 -0.04 1.22 1.21 2d23A1 ASN 252 H 0.02 0.58 -0.16 -0.55 8.53 8.42 2d23A1 ASN 252 HA 0.00 0.10 0.41 -0.75 4.76 4.52 2d23A1 ASN 252 HB2 0.01 0.05 0.14 -0.04 2.88 3.04 2d23A1 ASN 252 HB3 -0.00 -0.04 -0.00 -0.04 2.79 2.71 2d23A1 ASN 252 HD21 0.00 -0.05 -0.02 -0.04 7.03 6.92 2d23A1 ASN 252 HD22 0.00 -0.07 -0.10 -0.04 7.74 7.53 2d23A1 ASP 253 H 0.01 0.37 -0.34 -0.55 8.40 7.89 2d23A1 ASP 253 HA -0.05 0.02 0.44 -0.75 4.63 4.29 2d23A1 ASP 253 HB2 0.00 0.17 0.15 -0.04 2.71 2.99 2d23A1 ASP 253 HB3 -0.23 -0.08 -0.04 -0.04 2.70 2.31 2d23A1 CYS 254 H -0.03 0.38 -0.21 -0.55 8.50 8.10 2d23A1 CYS 254 HA -0.12 -0.01 0.45 -0.75 4.58 4.15 2d23A1 CYS 254 HB2 -0.05 -0.12 0.06 -0.04 2.97 2.82 2d23A1 CYS 254 HB3 -0.02 0.17 0.10 -0.04 2.97 3.18 2d23A1 LEU 255 H -0.02 0.33 -0.13 -0.55 8.37 8.00 2d23A1 LEU 255 HA -0.03 0.15 0.40 -0.75 4.35 4.12 2d23A1 LEU 255 HB2 -0.01 -0.02 0.08 -0.04 1.64 1.65 2d23A1 LEU 255 HB3 -0.01 0.01 0.04 -0.04 1.64 1.63 2d23A1 LEU 255 HG 0.01 0.09 0.02 -0.04 1.64 1.72 2d23A1 LEU 255 HD13 0.00 -0.05 -0.18 -0.04 0.93 0.66 2d23A1 LEU 255 HD23 -0.00 0.02 0.01 -0.04 0.89 0.87 2d23A1 ALA 256 H -0.05 0.25 -0.56 -0.55 8.40 7.49 2d23A1 ALA 256 HA -0.03 0.10 0.57 -0.75 4.34 4.22 2d23A1 ALA 256 HB3 -0.05 -0.03 0.10 -0.04 1.41 1.39 2d23A1 VAL 257 H -0.06 0.48 -0.48 -0.55 8.24 7.62 2d23A1 VAL 257 HA -0.06 0.08 0.94 -0.75 4.13 4.34 2d23A1 VAL 257 HB -0.10 0.06 0.17 -0.04 2.12 2.22 2d23A1 VAL 257 HG13 -0.06 -0.07 -0.14 -0.04 0.97 0.66 2d23A1 VAL 257 HG23 -0.14 0.03 -0.09 -0.04 0.95 0.71 2d23A1 SER 258 H -0.03 0.14 0.10 -0.55 8.46 8.12 2d23A1 SER 258 HA -0.02 0.18 0.33 -0.75 4.49 4.23 2d23A1 SER 258 HB2 -0.02 -0.00 0.13 -0.04 3.95 4.02 2d23A1 SER 258 HB3 -0.01 -0.06 0.08 -0.04 3.93 3.90 2d23A1 ARG 259 H -0.01 -0.02 -0.23 -0.55 8.46 7.65 2d23A1 ARG 259 HA 0.01 0.18 0.50 -0.75 4.34 4.28 2d23A1 ARG 259 HB2 0.02 -0.06 0.06 -0.04 1.90 1.87 2d23A1 ARG 259 HB3 0.04 -0.08 0.22 -0.04 1.80 1.94 2d23A1 ARG 259 HG2 0.01 -0.04 -0.06 -0.04 1.67 1.54 2d23A1 ARG 259 HG3 0.02 0.03 0.01 -0.04 1.67 1.69 2d23A1 ARG 259 HD2 0.05 0.05 -0.31 -0.04 3.22 2.97 2d23A1 ARG 259 HD3 0.03 0.00 -0.05 -0.04 3.22 3.16 2d23A1 CYS 260 H -0.04 0.61 -0.38 -0.55 8.50 8.14 2d23A1 CYS 260 HA -0.02 0.09 0.74 -0.75 4.58 4.64 2d23A1 CYS 260 HB2 -0.09 -0.15 0.13 -0.04 2.97 2.82 2d23A1 CYS 260 HB3 -0.07 0.45 0.27 -0.04 2.97 3.58 2d23A1 LEU 261 H -0.00 0.46 0.41 -0.55 8.37 8.69 2d23A1 LEU 261 HA -0.02 0.20 0.40 -0.75 4.35 4.17 2d23A1 LEU 261 HB2 0.12 -0.14 0.05 -0.04 1.64 1.64 2d23A1 LEU 261 HB3 0.20 -0.01 0.02 -0.04 1.64 1.81 2d23A1 LEU 261 HG 0.07 0.12 0.16 -0.04 1.64 1.95 2d23A1 LEU 261 HD13 0.12 -0.04 -0.09 -0.04 0.93 0.88 2d23A1 LEU 261 HD23 0.06 0.02 -0.01 -0.04 0.89 0.92 2d23A1 GLY 262 H -0.25 0.14 0.05 -0.55 8.43 7.82 2d23A1 GLY 262 HA2 -0.48 0.16 0.36 -0.51 4.01 3.54 2d23A1 GLY 262 HA3 -1.89 0.02 0.48 -0.51 4.01 2.11 2d23A1 ILE 263 H -0.43 0.54 0.27 -0.55 8.25 8.08 2d23A1 ILE 263 HA -0.13 0.20 1.09 -0.75 4.18 4.58 2d23A1 ILE 263 HB -0.49 0.03 0.11 -0.04 1.89 1.51 2d23A1 ILE 263 HG12 -0.05 -0.04 -0.07 -0.04 1.49 1.29 2d23A1 ILE 263 HG13 -0.12 0.01 -0.32 -0.04 1.21 0.75 2d23A1 ILE 263 HG23 -0.15 -0.03 -0.20 -0.04 0.93 0.50 2d23A1 ILE 263 HD13 0.08 0.00 -0.04 -0.04 0.88 0.88 2d23A1 THR 264 H -0.05 0.62 0.17 -0.55 8.28 8.47 2d23A1 THR 264 HA -0.12 0.17 0.87 -0.75 4.39 4.56 2d23A1 THR 264 HB 0.05 0.05 -0.05 -0.04 4.32 4.33 2d23A1 THR 264 HG23 0.06 -0.05 -0.57 -0.04 1.22 0.62 2d23A1 VAL 265 H -0.01 0.66 0.26 -0.55 8.24 8.60 2d23A1 VAL 265 HA 0.18 0.20 0.81 -0.75 4.13 4.57 2d23A1 VAL 265 HB 0.31 -0.01 0.04 -0.04 2.12 2.41 2d23A1 VAL 265 HG13 0.43 -0.02 -0.08 -0.04 0.97 1.26 2d23A1 VAL 265 HG23 0.26 0.04 0.15 -0.04 0.95 1.36 2d23A1 TRP 266 H 0.36 0.61 -0.14 -0.55 7.97 8.26 2d23A1 TRP 266 HA -0.07 0.07 0.40 -0.75 4.62 4.27 2d23A1 TRP 266 HB2 0.03 0.17 -0.13 -0.04 3.23 3.25 2d23A1 TRP 266 HB3 0.18 -0.09 0.09 -0.04 3.23 3.37 2d23A1 TRP 266 HD1 -0.65 -0.13 0.02 -0.04 7.22 6.42 2d23A1 TRP 266 HE1 -0.63 -0.02 -0.03 -0.04 10.20 9.49 2d23A1 TRP 266 HE3 -0.17 0.08 -0.18 -0.04 7.59 7.28 2d23A1 TRP 266 HZ2 -0.19 0.10 -0.02 -0.04 7.44 7.29 2d23A1 TRP 266 HZ3 -0.33 0.09 -0.19 -0.04 7.13 6.66 2d23A1 TRP 266 HH2 -0.60 0.07 -0.17 -0.04 7.19 6.44 2d23A1 GLY 267 H -0.14 0.41 0.16 -0.55 8.43 8.31 2d23A1 GLY 267 HA2 -0.19 0.12 0.35 -0.51 4.01 3.78 2d23A1 GLY 267 HA3 -0.01 0.15 0.72 -0.51 4.01 4.36 2d23A1 VAL 268 H 0.04 0.07 0.09 -0.55 8.24 7.90 2d23A1 VAL 268 HA 0.10 0.22 0.73 -0.75 4.13 4.43 2d23A1 VAL 268 HB -0.03 -0.15 0.19 -0.04 2.12 2.10 2d23A1 VAL 268 HG13 -0.23 0.03 -0.10 -0.04 0.97 0.63 2d23A1 VAL 268 HG23 -0.46 0.04 -0.02 -0.04 0.95 0.47 2d23A1 ARG 269 H 0.13 0.06 0.11 -0.55 8.46 8.21 2d23A1 ARG 269 HA 0.22 0.32 0.77 -0.75 4.34 4.90 2d23A1 ARG 269 HB2 0.11 -0.10 -0.01 -0.04 1.90 1.86 2d23A1 ARG 269 HB3 0.11 -0.02 -0.24 -0.04 1.80 1.61 2d23A1 ARG 269 HG2 0.09 0.13 -0.16 -0.04 1.67 1.69 2d23A1 ARG 269 HG3 0.02 -0.08 -0.18 -0.04 1.67 1.38 2d23A1 ARG 269 HD2 0.06 0.14 -0.04 -0.04 3.22 3.34 2d23A1 ARG 269 HD3 0.02 0.08 -0.12 -0.04 3.22 3.16 2d23A1 ASP 270 H 0.13 0.59 0.14 -0.55 8.40 8.71 2d23A1 ASP 270 HA 0.13 0.04 0.32 -0.75 4.63 4.37 2d23A1 ASP 270 HB2 0.08 -0.10 0.16 -0.04 2.71 2.80 2d23A1 ASP 270 HB3 0.08 0.08 0.07 -0.04 2.70 2.88 2d23A1 THR 271 H 0.08 0.05 -0.32 -0.55 8.28 7.55 2d23A1 THR 271 HA 0.05 0.12 0.43 -0.75 4.39 4.24 2d23A1 THR 271 HB 0.03 0.08 0.05 -0.04 4.32 4.45 2d23A1 THR 271 HG23 0.04 -0.01 0.06 -0.04 1.22 1.27 2d23A1 ASP 272 H 0.10 0.39 -0.47 -0.55 8.40 7.87 2d23A1 ASP 272 HA 0.02 0.17 0.67 -0.75 4.63 4.74 2d23A1 ASP 272 HB2 0.12 -0.02 0.08 -0.04 2.71 2.84 2d23A1 ASP 272 HB3 0.06 -0.01 0.15 -0.04 2.70 2.85 2d23A1 SER 273 H 0.12 0.27 -0.33 -0.55 8.46 7.96 2d23A1 SER 273 HA 0.24 0.17 0.49 -0.75 4.49 4.63 2d23A1 SER 273 HB2 0.22 0.03 -0.05 -0.04 3.95 4.11 2d23A1 SER 273 HB3 0.15 0.18 -0.01 -0.04 3.93 4.20 2d23A1 TRP 274 H 0.82 0.24 0.14 -0.55 7.97 8.62 2d23A1 TRP 274 HA 0.07 0.14 0.47 -0.75 4.62 4.55 2d23A1 TRP 274 HB2 0.12 0.01 0.11 -0.04 3.23 3.43 2d23A1 TRP 274 HB3 0.20 0.05 0.10 -0.04 3.23 3.53 2d23A1 TRP 274 HD1 0.30 -0.07 0.08 -0.04 7.22 7.49 2d23A1 TRP 274 HE1 0.16 0.04 -0.05 -0.04 10.20 10.31 2d23A1 TRP 274 HE3 0.05 0.01 -0.02 -0.04 7.59 7.59 2d23A1 TRP 274 HZ2 -1.04 -0.01 -0.05 -0.04 7.44 6.30 2d23A1 TRP 274 HZ3 -0.08 -0.01 -0.03 -0.04 7.13 6.97 2d23A1 TRP 274 HH2 -0.39 -0.03 -0.04 -0.04 7.19 6.68 2d23A1 ARG 275 H 0.09 0.02 -0.50 -0.55 8.46 7.52 2d23A1 ARG 275 HA -0.24 0.22 0.70 -0.75 4.34 4.26 2d23A1 ARG 275 HB2 -0.36 0.01 0.01 -0.04 1.90 1.53 2d23A1 ARG 275 HB3 -0.30 -0.07 0.11 -0.04 1.80 1.50 2d23A1 ARG 275 HG2 -0.84 0.10 -0.06 -0.04 1.67 0.83 2d23A1 ARG 275 HG3 -2.36 -0.04 -0.45 -0.04 1.67 -1.22 2d23A1 ARG 275 HD2 -0.77 0.01 -0.09 -0.04 3.22 2.32 2d23A1 ARG 275 HD3 -0.49 -0.03 -0.06 -0.04 3.22 2.61 2d23A1 SER 276 H 0.01 0.41 -0.20 -0.55 8.46 8.14 2d23A1 SER 276 HA 0.06 0.05 0.40 -0.75 4.49 4.25 2d23A1 SER 276 HB2 0.04 -0.07 -0.00 -0.04 3.95 3.87 2d23A1 SER 276 HB3 0.05 0.22 0.14 -0.04 3.93 4.30 2d23A1 GLY 277 H -0.03 0.10 -0.36 -0.55 8.43 7.60 2d23A1 GLY 277 HA2 0.00 0.09 0.35 -0.51 4.01 3.93 2d23A1 GLY 277 HA3 -0.02 0.04 0.23 -0.51 4.01 3.75 2d23A1 ASP 278 H -0.03 0.49 -0.38 -0.55 8.40 7.94 2d23A1 ASP 278 HA 0.01 0.17 0.73 -0.75 4.63 4.79 2d23A1 ASP 278 HB2 -0.02 0.14 0.04 -0.04 2.71 2.83 2d23A1 ASP 278 HB3 0.02 -0.15 0.14 -0.04 2.70 2.68 2d23A1 THR 279 H 0.04 0.60 -0.33 -0.55 8.28 8.04 2d23A1 THR 279 HA 0.07 -0.06 0.34 -0.75 4.39 3.99 2d23A1 THR 279 HB 0.05 -0.06 0.13 -0.04 4.32 4.40 2d23A1 THR 279 HG23 0.03 0.02 -0.00 -0.04 1.22 1.22 2d23A1 PRO 280 HA 0.19 0.38 0.72 -0.51 4.44 5.21 2d23A1 PRO 280 HB2 0.22 -0.16 -0.09 -0.04 2.28 2.21 2d23A1 PRO 280 HB3 0.13 0.01 -0.37 -0.04 2.02 1.75 2d23A1 PRO 280 HG2 0.24 0.02 -0.21 -0.04 2.03 2.04 2d23A1 PRO 280 HG3 0.13 0.02 -0.15 -0.04 2.03 1.99 2d23A1 PRO 280 HD2 0.13 0.01 -0.03 -0.04 3.68 3.75 2d23A1 PRO 280 HD3 0.07 0.10 -0.32 -0.04 3.65 3.45 2d23A1 LEU 281 H 0.18 0.02 -0.27 -0.55 8.37 7.76 2d23A1 LEU 281 HA 0.34 0.27 0.88 -0.75 4.35 5.09 2d23A1 LEU 281 HB2 0.20 -0.09 -0.28 -0.04 1.64 1.43 2d23A1 LEU 281 HB3 0.25 0.04 -0.08 -0.04 1.64 1.81 2d23A1 LEU 281 HG 0.26 -0.14 -0.40 -0.04 1.64 1.32 2d23A1 LEU 281 HD13 0.19 0.04 -0.63 -0.04 0.93 0.49 2d23A1 LEU 281 HD23 0.31 0.10 -0.30 -0.04 0.89 0.96 2d23A1 LEU 282 H 0.22 0.26 0.09 -0.55 8.37 8.38 2d23A1 LEU 282 HA -0.16 0.13 0.69 -0.75 4.35 4.25 2d23A1 LEU 282 HB2 0.20 0.11 0.07 -0.04 1.64 1.98 2d23A1 LEU 282 HB3 -0.18 -0.06 0.09 -0.04 1.64 1.44 2d23A1 LEU 282 HG -0.12 -0.01 -0.07 -0.04 1.64 1.40 2d23A1 LEU 282 HD13 0.02 0.03 -0.03 -0.04 0.93 0.91 2d23A1 LEU 282 HD23 -0.92 0.01 -0.27 -0.04 0.89 -0.34 2d23A1 PHE 283 H 0.29 0.17 0.02 -0.55 8.34 8.27 2d23A1 PHE 283 HA -0.01 0.27 1.00 -0.75 4.62 5.13 2d23A1 PHE 283 HB2 0.06 0.01 -0.03 -0.04 3.15 3.16 2d23A1 PHE 283 HB3 0.00 0.05 -0.13 -0.04 3.06 2.94 2d23A1 PHE 283 HD2 0.03 0.12 -0.20 -0.04 7.28 7.19 2d23A1 PHE 283 HE2 -0.09 0.03 -0.04 -0.04 7.38 7.24 2d23A1 PHE 283 HZ -0.20 0.03 -0.01 -0.04 7.32 7.09 2d23A1 ASN 284 H 0.09 0.73 0.15 -0.55 8.53 8.94 2d23A1 ASN 284 HA 0.06 0.10 0.62 -0.75 4.76 4.78 2d23A1 ASN 284 HB2 0.02 -0.01 0.07 -0.04 2.88 2.92 2d23A1 ASN 284 HB3 0.01 -0.10 0.14 -0.04 2.79 2.80 2d23A1 ASN 284 HD21 -0.06 0.01 -0.12 -0.04 7.03 6.82 2d23A1 ASN 284 HD22 -0.05 0.04 -0.16 -0.04 7.74 7.54 2d23A1 GLY 285 H 0.04 0.22 0.18 -0.55 8.43 8.33 2d23A1 GLY 285 HA2 0.06 -0.03 0.38 -0.51 4.01 3.91 2d23A1 GLY 285 HA3 0.04 0.11 0.35 -0.51 4.01 4.01 2d23A1 ASP 286 H 0.03 0.03 -0.25 -0.55 8.40 7.66 2d23A1 ASP 286 HA 0.02 0.18 0.55 -0.75 4.63 4.62 2d23A1 ASP 286 HB2 0.00 0.11 0.14 -0.04 2.71 2.91 2d23A1 ASP 286 HB3 0.01 -0.02 0.06 -0.04 2.70 2.71 2d23A1 GLY 287 H 0.06 0.42 -0.62 -0.55 8.43 7.75 2d23A1 GLY 287 HA2 0.07 0.01 0.20 -0.51 4.01 3.79 2d23A1 GLY 287 HA3 0.03 0.16 0.53 -0.51 4.01 4.21 2d23A1 SER 288 H 0.04 -0.11 -0.30 -0.55 8.46 7.55 2d23A1 SER 288 HA 0.01 0.17 0.51 -0.75 4.49 4.43 2d23A1 SER 288 HB2 -0.06 0.19 0.04 -0.04 3.95 4.08 2d23A1 SER 288 HB3 -0.03 0.11 0.01 -0.04 3.93 3.98 2d23A1 LYS 289 H -0.11 0.18 0.19 -0.55 8.42 8.11 2d23A1 LYS 289 HA -0.64 0.11 0.64 -0.75 4.32 3.69 2d23A1 LYS 289 HB2 -0.26 -0.02 0.12 -0.04 1.87 1.67 2d23A1 LYS 289 HB3 -0.49 0.01 0.05 -0.04 1.79 1.32 2d23A1 LYS 289 HG2 -1.23 0.01 0.05 -0.04 1.46 0.25 2d23A1 LYS 289 HG3 -0.26 0.02 0.09 -0.04 1.46 1.27 2d23A1 LYS 289 HD2 -0.28 -0.02 0.02 -0.04 1.69 1.37 2d23A1 LYS 289 HD3 -0.84 -0.02 -0.02 -0.04 1.68 0.77 2d23A1 LYS 289 HE2 -0.67 -0.00 0.02 -0.04 2.99 2.29 2d23A1 LYS 289 HE3 -0.20 0.01 0.03 -0.04 2.99 2.79 2d23A1 LYS 290 H -0.27 0.51 0.35 -0.55 8.42 8.45 2d23A1 LYS 290 HA -0.09 0.15 0.61 -0.75 4.32 4.24 2d23A1 LYS 290 HB2 -0.10 -0.06 0.10 -0.04 1.87 1.78 2d23A1 LYS 290 HB3 -0.06 -0.00 0.13 -0.04 1.79 1.82 2d23A1 LYS 290 HG2 -0.05 -0.03 -0.14 -0.04 1.46 1.20 2d23A1 LYS 290 HG3 -0.10 0.05 -0.16 -0.04 1.46 1.21 2d23A1 LYS 290 HD2 0.03 -0.14 -0.66 -0.04 1.69 0.88 2d23A1 LYS 290 HD3 -0.03 0.13 -0.13 -0.04 1.68 1.60 2d23A1 LYS 290 HE2 0.01 0.03 -0.02 -0.04 2.99 2.96 2d23A1 LYS 290 HE3 0.00 -0.10 -0.10 -0.04 2.99 2.76 2d23A1 ALA 291 H -0.04 0.23 0.13 -0.55 8.40 8.18 2d23A1 ALA 291 HA 0.06 0.09 0.43 -0.75 4.34 4.17 2d23A1 ALA 291 HB3 0.01 0.06 0.14 -0.04 1.41 1.58 2d23A1 ALA 292 H -0.05 0.12 -0.26 -0.55 8.40 7.66 2d23A1 ALA 292 HA -0.04 0.01 0.42 -0.75 4.34 3.98 2d23A1 ALA 292 HB3 -0.12 0.09 -0.01 -0.04 1.41 1.32 2d23A1 TYR 293 H -0.07 0.26 -0.26 -0.55 8.29 7.66 2d23A1 TYR 293 HA -0.30 0.04 0.43 -0.75 4.56 3.97 2d23A1 TYR 293 HB2 -0.54 0.08 0.22 -0.04 3.06 2.77 2d23A1 TYR 293 HB3 -0.31 0.17 0.15 -0.04 2.98 2.95 2d23A1 TYR 293 HD2 -0.39 -0.01 -0.19 -0.04 7.15 6.53 2d23A1 TYR 293 HE2 -0.07 0.03 -0.03 -0.04 6.85 6.74 2d23A1 THR 294 H 0.06 0.30 -0.18 -0.55 8.28 7.91 2d23A1 THR 294 HA 0.02 0.06 0.36 -0.75 4.39 4.08 2d23A1 THR 294 HB 0.08 0.11 0.10 -0.04 4.32 4.57 2d23A1 THR 294 HG23 0.06 -0.01 -0.17 -0.04 1.22 1.06 2d23A1 ALA 295 H -0.04 0.36 -0.25 -0.55 8.40 7.93 2d23A1 ALA 295 HA -0.00 0.06 0.40 -0.75 4.34 4.05 2d23A1 ALA 295 HB3 -0.00 0.01 0.10 -0.04 1.41 1.48 2d23A1 VAL 296 H -0.18 0.51 -0.15 -0.55 8.24 7.88 2d23A1 VAL 296 HA -0.06 0.02 0.41 -0.75 4.13 3.75 2d23A1 VAL 296 HB -0.42 0.08 0.16 -0.04 2.12 1.90 2d23A1 VAL 296 HG13 -0.31 -0.00 -0.12 -0.04 0.97 0.49 2d23A1 VAL 296 HG23 -0.06 0.05 -0.07 -0.04 0.95 0.83 2d23A1 LEU 297 H -0.41 0.59 -0.07 -0.55 8.37 7.93 2d23A1 LEU 297 HA -0.28 0.03 0.32 -0.75 4.35 3.67 2d23A1 LEU 297 HB2 -0.59 -0.04 0.02 -0.04 1.64 0.99 2d23A1 LEU 297 HB3 -0.21 0.03 0.08 -0.04 1.64 1.50 2d23A1 LEU 297 HG -0.09 0.06 -0.23 -0.04 1.64 1.35 2d23A1 LEU 297 HD13 -0.15 -0.01 -0.33 -0.04 0.93 0.40 2d23A1 LEU 297 HD23 0.04 -0.01 -0.08 -0.04 0.89 0.81 2d23A1 ASN 298 H -0.10 0.53 -0.21 -0.55 8.53 8.21 2d23A1 ASN 298 HA -0.04 0.07 0.37 -0.75 4.76 4.41 2d23A1 ASN 298 HB2 -0.01 0.00 0.11 -0.04 2.88 2.94 2d23A1 ASN 298 HB3 -0.02 0.04 0.14 -0.04 2.79 2.91 2d23A1 ASN 298 HD21 0.01 -0.09 -0.07 -0.04 7.03 6.84 2d23A1 ASN 298 HD22 0.01 0.00 -0.07 -0.04 7.74 7.63 2d23A1 ALA 299 H -0.05 0.44 -0.24 -0.55 8.40 8.00 2d23A1 ALA 299 HA -0.01 -0.09 0.42 -0.75 4.34 3.90 2d23A1 ALA 299 HB3 -0.01 0.02 0.13 -0.04 1.41 1.51 2d23A1 LEU 300 H -0.07 0.55 -0.09 -0.55 8.37 8.22 2d23A1 LEU 300 HA -0.01 0.03 0.34 -0.75 4.35 3.95 2d23A1 LEU 300 HB2 -0.10 0.07 0.04 -0.04 1.64 1.61 2d23A1 LEU 300 HB3 -0.03 0.01 -0.22 -0.04 1.64 1.36 2d23A1 LEU 300 HG -0.07 0.15 0.04 -0.04 1.64 1.72 2d23A1 LEU 300 HD13 -0.26 -0.02 -0.06 -0.04 0.93 0.55 2d23A1 LEU 300 HD23 0.11 -0.02 -0.04 -0.04 0.89 0.91 2d23A1 ASN 301 H -0.04 0.33 -0.47 -0.55 8.53 7.80 2d23A1 ASN 301 HA -0.02 0.15 0.65 -0.75 4.76 4.78 2d23A1 ASN 301 HB2 -0.03 0.03 0.12 -0.04 2.88 2.96 2d23A1 ASN 301 HB3 -0.02 -0.06 0.15 -0.04 2.79 2.81 2d23A1 ASN 301 HD21 -0.03 0.40 0.12 -0.04 7.03 7.48 2d23A1 ASN 301 HD22 -0.03 -0.14 -0.06 -0.04 7.74 7.46 2d23A1 GLY 302 H -0.01 0.37 -0.49 -0.55 8.43 7.75 2d23A1 GLY 302 HA2 -0.01 -0.03 0.26 -0.51 4.01 3.71 2d23A1 GLY 302 HA3 -0.01 0.12 0.79 -0.51 4.01 4.40 2d23A1 GLY 303 H -0.01 0.23 0.12 -0.55 8.43 8.23 2d23A1 GLY 303 HA2 -0.00 -0.05 0.02 -0.51 4.01 3.47 2d23A1 GLY 303 HA3 -0.00 0.00 0.12 -0.51 4.01 3.62 2d23A1 GLY 313 HA2 0.04 -0.06 0.19 -0.51 4.01 3.67 2d23A1 GLY 313 HA3 0.06 -0.06 0.20 -0.51 4.01 3.69 2d23A1 GLN 314 H 0.07 -0.05 0.15 -0.55 8.47 8.09 2d23A1 GLN 314 HA 0.19 0.47 0.72 -0.75 4.36 4.98 2d23A1 GLN 314 HB2 0.07 -0.12 0.06 -0.04 2.15 2.12 2d23A1 GLN 314 HB3 0.09 -0.03 0.08 -0.04 2.02 2.12 2d23A1 GLN 314 HG2 0.08 0.16 0.06 -0.04 2.40 2.66 2d23A1 GLN 314 HG3 0.07 -0.11 0.07 -0.04 2.39 2.38 2d23A1 GLN 314 HE21 0.06 -0.13 -0.13 -0.04 6.97 6.72 2d23A1 GLN 314 HE22 0.07 0.38 0.19 -0.04 7.69 8.29 2d23A1 ILE 315 H 0.14 0.26 0.19 -0.55 8.25 8.30 2d23A1 ILE 315 HA 0.03 0.19 0.76 -0.75 4.18 4.40 2d23A1 ILE 315 HB -0.31 -0.06 0.16 -0.04 1.89 1.63 2d23A1 ILE 315 HG12 -0.11 0.04 -0.14 -0.04 1.49 1.24 2d23A1 ILE 315 HG13 0.02 0.09 -0.35 -0.04 1.21 0.93 2d23A1 ILE 315 HG23 -0.26 -0.01 -0.21 -0.04 0.93 0.41 2d23A1 ILE 315 HD13 -0.60 -0.02 -0.15 -0.04 0.88 0.08 2d23A1 LYS 316 H 0.11 0.81 0.25 -0.55 8.42 9.04 2d23A1 LYS 316 HA 0.15 0.16 0.88 -0.75 4.32 4.76 2d23A1 LYS 316 HB2 0.06 -0.05 -0.10 -0.04 1.87 1.73 2d23A1 LYS 316 HB3 0.05 0.02 0.04 -0.04 1.79 1.86 2d23A1 LYS 316 HG2 -0.01 0.09 -0.41 -0.04 1.46 1.09 2d23A1 LYS 316 HG3 0.02 -0.01 -0.43 -0.04 1.46 1.00 2d23A1 LYS 316 HD2 0.02 -0.02 -0.11 -0.04 1.69 1.54 2d23A1 LYS 316 HD3 0.00 -0.04 -0.13 -0.04 1.68 1.48 2d23A1 LYS 316 HE2 -0.02 -0.02 -0.02 -0.04 2.99 2.89 2d23A1 LYS 316 HE3 -0.01 0.36 0.01 -0.04 2.99 3.31 2d23A1 GLY 317 H 0.10 0.80 0.32 -0.55 8.43 9.11 2d23A1 GLY 317 HA2 -0.69 0.22 0.69 -0.51 4.01 3.72 2d23A1 GLY 317 HA3 -0.48 -0.04 0.37 -0.51 4.01 3.35 2d23A1 VAL 318 H -0.43 0.73 0.34 -0.55 8.24 8.33 2d23A1 VAL 318 HA -0.13 0.06 0.35 -0.75 4.13 3.66 2d23A1 VAL 318 HB -0.23 0.00 0.21 -0.04 2.12 2.06 2d23A1 VAL 318 HG13 -0.10 -0.00 -0.12 -0.04 0.97 0.70 2d23A1 VAL 318 HG23 -0.13 0.03 -0.20 -0.04 0.95 0.61 2d23A1 GLY 319 H -0.29 0.47 0.10 -0.55 8.43 8.17 2d23A1 GLY 319 HA2 -0.13 0.06 0.36 -0.51 4.01 3.79 2d23A1 GLY 319 HA3 -0.17 -0.07 0.15 -0.51 4.01 3.41 2d23A1 SER 320 H -0.20 0.01 -0.34 -0.55 8.46 7.39 2d23A1 SER 320 HA -0.08 0.19 0.79 -0.75 4.49 4.63 2d23A1 SER 320 HB2 -0.06 0.20 0.13 -0.04 3.95 4.18 2d23A1 SER 320 HB3 -0.10 0.06 0.07 -0.04 3.93 3.92 2d23A1 GLY 321 H -0.11 0.56 -0.05 -0.55 8.43 8.30 2d23A1 GLY 321 HA2 -0.05 0.06 0.31 -0.51 4.01 3.82 2d23A1 GLY 321 HA3 -0.05 0.06 0.48 -0.51 4.01 3.99 2d23A1 ARG 322 H -0.04 -0.01 -0.33 -0.55 8.46 7.52 2d23A1 ARG 322 HA -0.01 0.13 0.86 -0.75 4.34 4.57 2d23A1 ARG 322 HB2 -0.00 -0.01 -0.13 -0.04 1.90 1.71 2d23A1 ARG 322 HB3 0.00 -0.07 -0.17 -0.04 1.80 1.53 2d23A1 ARG 322 HG2 -0.07 -0.02 -0.23 -0.04 1.67 1.31 2d23A1 ARG 322 HG3 -0.05 0.25 -0.25 -0.04 1.67 1.58 2d23A1 ARG 322 HD2 -0.06 0.25 -0.27 -0.04 3.22 3.10 2d23A1 ARG 322 HD3 -0.11 -0.21 -0.37 -0.04 3.22 2.49 2d23A1 CYS 323 H 0.04 0.63 0.27 -0.55 8.50 8.89 2d23A1 CYS 323 HA 0.13 0.22 1.06 -0.75 4.58 5.24 2d23A1 CYS 323 HB2 0.03 0.02 0.05 -0.04 2.97 3.03 2d23A1 CYS 323 HB3 0.10 0.12 0.04 -0.04 2.97 3.19 2d23A1 LEU 324 H 0.09 0.59 0.36 -0.55 8.37 8.87 2d23A1 LEU 324 HA 0.01 0.11 0.48 -0.75 4.35 4.20 2d23A1 LEU 324 HB2 -0.42 0.02 0.12 -0.04 1.64 1.32 2d23A1 LEU 324 HB3 -0.27 -0.04 0.15 -0.04 1.64 1.44 2d23A1 LEU 324 HG -0.46 0.01 -0.21 -0.04 1.64 0.93 2d23A1 LEU 324 HD13 -0.52 0.01 -0.11 -0.04 0.93 0.27 2d23A1 LEU 324 HD23 -1.72 -0.01 -0.12 -0.04 0.89 -1.01 2d23A1 ASP 325 H 0.13 0.72 0.42 -0.55 8.40 9.12 2d23A1 ASP 325 HA 0.20 0.30 0.94 -0.75 4.63 5.32 2d23A1 ASP 325 HB2 0.10 0.05 -0.33 -0.04 2.71 2.49 2d23A1 ASP 325 HB3 0.14 -0.00 -0.22 -0.04 2.70 2.58 2d23A1 VAL 326 H 0.08 0.51 0.17 -0.55 8.24 8.45 2d23A1 VAL 326 HA 0.14 0.18 0.72 -0.75 4.13 4.41 2d23A1 VAL 326 HB 0.09 -0.13 0.15 -0.04 2.12 2.19 2d23A1 VAL 326 HG13 0.18 0.04 -0.14 -0.04 0.97 1.01 2d23A1 VAL 326 HG23 -0.04 0.04 -0.10 -0.04 0.95 0.81 2d23A1 PRO 327 HA -0.03 -0.07 0.32 -0.51 4.44 4.15 2d23A1 PRO 327 HB2 0.04 -0.01 0.07 -0.04 2.28 2.33 2d23A1 PRO 327 HB3 0.02 0.01 0.04 -0.04 2.02 2.05 2d23A1 PRO 327 HG2 0.06 0.19 0.08 -0.04 2.03 2.32 2d23A1 PRO 327 HG3 0.05 -0.01 0.03 -0.04 2.03 2.06 2d23A1 PRO 327 HD2 0.09 0.10 0.08 -0.04 3.68 3.91 2d23A1 PRO 327 HD3 0.09 0.29 0.37 -0.04 3.65 4.35 2d23A1 ASN 328 H -0.07 0.12 0.14 -0.55 8.53 8.16 2d23A1 ASN 328 HA -0.04 0.01 0.33 -0.75 4.76 4.30 2d23A1 ASN 328 HB2 -0.00 0.12 -0.11 -0.04 2.88 2.84 2d23A1 ASN 328 HB3 -0.02 0.01 0.17 -0.04 2.79 2.91 2d23A1 ASN 328 HD21 0.00 0.02 -0.06 -0.04 7.03 6.95 2d23A1 ASN 328 HD22 0.00 0.05 -0.17 -0.04 7.74 7.58 2d23A1 ALA 329 H 0.03 0.34 -0.16 -0.55 8.40 8.06 2d23A1 ALA 329 HA 0.16 0.02 0.27 -0.75 4.34 4.04 2d23A1 ALA 329 HB3 0.02 -0.00 -0.00 -0.04 1.41 1.38 2d23A1 SER 330 H 0.05 0.44 -0.50 -0.55 8.46 7.91 2d23A1 SER 330 HA -0.04 0.03 0.42 -0.75 4.49 4.14 2d23A1 SER 330 HB2 0.02 0.07 0.05 -0.04 3.95 4.04 2d23A1 SER 330 HB3 0.06 0.07 -0.01 -0.04 3.93 4.00 2d23A1 THR 331 H -0.08 0.09 0.15 -0.55 8.28 7.89 2d23A1 THR 331 HA -0.05 0.22 0.76 -0.75 4.39 4.56 2d23A1 THR 331 HB -0.19 -0.04 0.11 -0.04 4.32 4.16 2d23A1 THR 331 HG23 -0.81 0.04 -0.14 -0.04 1.22 0.27 2d23A1 THR 332 H 0.00 0.02 -0.03 -0.55 8.28 7.73 2d23A1 THR 332 HA -0.01 0.04 0.48 -0.75 4.39 4.15 2d23A1 THR 332 HB 0.03 -0.00 0.04 -0.04 4.32 4.34 2d23A1 THR 332 HG23 0.02 0.08 -0.10 -0.04 1.22 1.19 2d23A1 ASP 333 H -0.00 0.09 0.19 -0.55 8.40 8.13 2d23A1 ASP 333 HA 0.10 0.10 0.39 -0.75 4.63 4.46 2d23A1 ASP 333 HB2 -0.03 -0.00 0.18 -0.04 2.71 2.82 2d23A1 ASP 333 HB3 0.05 0.04 0.06 -0.04 2.70 2.81 2d23A1 GLY 334 H 0.23 0.65 0.36 -0.55 8.43 9.12 2d23A1 GLY 334 HA2 0.16 -0.02 0.30 -0.51 4.01 3.94 2d23A1 GLY 334 HA3 0.13 0.12 0.67 -0.51 4.01 4.42 2d23A1 THR 335 H 0.12 0.34 -0.07 -0.55 8.28 8.12 2d23A1 THR 335 HA 0.08 0.05 0.56 -0.75 4.39 4.32 2d23A1 THR 335 HB 0.12 -0.05 0.07 -0.04 4.32 4.42 2d23A1 THR 335 HG23 0.08 0.03 -0.13 -0.04 1.22 1.16 2d23A1 GLN 336 H 0.07 0.13 0.24 -0.55 8.47 8.37 2d23A1 GLN 336 HA 0.08 0.08 0.59 -0.75 4.36 4.36 2d23A1 GLN 336 HB2 0.06 -0.04 0.15 -0.04 2.15 2.27 2d23A1 GLN 336 HB3 0.06 -0.06 0.20 -0.04 2.02 2.17 2d23A1 GLN 336 HG2 0.05 0.11 0.05 -0.04 2.40 2.57 2d23A1 GLN 336 HG3 0.05 0.25 0.29 -0.04 2.39 2.94 2d23A1 GLN 336 HE21 0.05 -0.08 0.03 -0.04 6.97 6.93 2d23A1 GLN 336 HE22 0.05 0.48 0.24 -0.04 7.69 8.42 2d23A1 VAL 337 H 0.05 0.42 0.42 -0.55 8.24 8.59 2d23A1 VAL 337 HA 0.10 0.14 0.68 -0.75 4.13 4.31 2d23A1 VAL 337 HB 0.05 0.03 0.03 -0.04 2.12 2.18 2d23A1 VAL 337 HG13 0.15 -0.03 -0.14 -0.04 0.97 0.92 2d23A1 VAL 337 HG23 -0.13 0.03 -0.11 -0.04 0.95 0.70 2d23A1 GLN 338 H 0.09 0.68 0.40 -0.55 8.47 9.09 2d23A1 GLN 338 HA 0.07 0.15 0.87 -0.75 4.36 4.71 2d23A1 GLN 338 HB2 0.10 0.01 -0.12 -0.04 2.15 2.09 2d23A1 GLN 338 HB3 0.08 0.01 -0.25 -0.04 2.02 1.82 2d23A1 GLN 338 HG2 0.10 0.10 -0.12 -0.04 2.40 2.44 2d23A1 GLN 338 HG3 0.16 0.09 -0.54 -0.04 2.39 2.06 2d23A1 GLN 338 HE21 -0.04 -0.08 -0.05 -0.04 6.97 6.76 2d23A1 GLN 338 HE22 -0.02 -0.03 -0.26 -0.04 7.69 7.34 2d23A1 LEU 339 H 0.10 0.51 0.19 -0.55 8.37 8.63 2d23A1 LEU 339 HA 0.14 0.26 0.63 -0.75 4.35 4.63 2d23A1 LEU 339 HB2 0.07 -0.01 -0.00 -0.04 1.64 1.66 2d23A1 LEU 339 HB3 0.06 -0.03 -0.18 -0.04 1.64 1.45 2d23A1 LEU 339 HG 0.14 0.03 -0.20 -0.04 1.64 1.56 2d23A1 LEU 339 HD13 0.00 -0.02 -0.14 -0.04 0.93 0.73 2d23A1 LEU 339 HD23 0.25 0.00 -0.23 -0.04 0.89 0.87 2d23A1 TYR 340 H 0.12 0.49 0.19 -0.55 8.29 8.54 2d23A1 TYR 340 HA 0.01 -0.02 0.55 -0.75 4.56 4.35 2d23A1 TYR 340 HB2 0.02 0.03 -0.39 -0.04 3.06 2.68 2d23A1 TYR 340 HB3 -0.05 0.07 -0.18 -0.04 2.98 2.78 2d23A1 TYR 340 HD2 -0.02 0.16 -0.01 -0.04 7.15 7.24 2d23A1 TYR 340 HE2 0.07 0.02 -0.00 -0.04 6.85 6.90 2d23A1 ASP 341 H -0.87 0.08 0.12 -0.55 8.40 7.19 2d23A1 ASP 341 HA -0.11 0.06 0.46 -0.75 4.63 4.29 2d23A1 ASP 341 HB2 -0.17 -0.04 0.11 -0.04 2.71 2.57 2d23A1 ASP 341 HB3 -0.06 0.11 0.05 -0.04 2.70 2.75 2d23A1 CYS 342 H -0.02 0.14 0.29 -0.55 8.50 8.36 2d23A1 CYS 342 HA -0.07 0.04 0.47 -0.75 4.58 4.26 2d23A1 CYS 342 HB2 0.02 0.01 0.14 -0.04 2.97 3.09 2d23A1 CYS 342 HB3 0.03 0.04 0.05 -0.04 2.97 3.04 2d23A1 HIS 343 H -0.08 0.27 0.23 -0.55 8.41 8.28 2d23A1 HIS 343 HA 0.05 0.15 0.56 -0.75 4.63 4.63 2d23A1 HIS 343 HB2 0.05 -0.15 0.16 -0.04 3.26 3.29 2d23A1 HIS 343 HB3 0.08 0.17 -0.15 -0.04 3.20 3.26 2d23A1 HIS 343 HD2 0.16 0.04 -0.09 -0.04 6.97 7.04 2d23A1 HIS 343 HE1 0.01 -0.05 -0.20 -0.04 7.75 7.45 2d23A1 SER 344 H 0.12 0.13 0.12 -0.55 8.46 8.28 2d23A1 SER 344 HA 0.11 0.29 0.79 -0.75 4.49 4.92 2d23A1 SER 344 HB2 0.02 -0.02 0.06 -0.04 3.95 3.96 2d23A1 SER 344 HB3 0.03 0.02 0.12 -0.04 3.93 4.06 2d23A1 ALA 345 H -0.03 0.02 -0.19 -0.55 8.40 7.65 2d23A1 ALA 345 HA -0.06 0.09 0.39 -0.75 4.34 4.00 2d23A1 ALA 345 HB3 -0.21 0.01 0.03 -0.04 1.41 1.20 2d23A1 THR 346 H -0.01 0.15 0.18 -0.55 8.28 8.04 2d23A1 THR 346 HA -0.07 0.18 0.44 -0.75 4.39 4.19 2d23A1 THR 346 HB 0.01 -0.02 0.12 -0.04 4.32 4.39 2d23A1 THR 346 HG23 0.00 0.02 0.09 -0.04 1.22 1.29 2d23A1 ASN 347 H 0.03 0.04 -0.27 -0.55 8.53 7.79 2d23A1 ASN 347 HA -0.43 0.14 0.45 -0.75 4.76 4.17 2d23A1 ASN 347 HB2 0.05 0.07 0.22 -0.04 2.88 3.18 2d23A1 ASN 347 HB3 0.18 0.00 0.11 -0.04 2.79 3.04 2d23A1 ASN 347 HD21 0.10 -0.01 -0.09 -0.04 7.03 6.98 2d23A1 ASN 347 HD22 0.05 0.36 0.04 -0.04 7.74 8.15 2d23A1 GLN 348 H -0.10 0.25 -0.82 -0.55 8.47 7.25 2d23A1 GLN 348 HA 0.03 0.31 0.79 -0.75 4.36 4.74 2d23A1 GLN 348 HB2 0.13 -0.03 -0.14 -0.04 2.15 2.08 2d23A1 GLN 348 HB3 0.06 -0.02 0.09 -0.04 2.02 2.11 2d23A1 GLN 348 HG2 0.08 0.32 -0.09 -0.04 2.40 2.67 2d23A1 GLN 348 HG3 -0.00 -0.12 -0.27 -0.04 2.39 1.96 2d23A1 GLN 348 HE21 -0.44 0.45 -0.20 -0.04 6.97 6.73 2d23A1 GLN 348 HE22 -0.26 -0.08 -0.22 -0.04 7.69 7.09 2d23A1 GLN 349 H -0.38 0.32 -0.07 -0.55 8.47 7.79 2d23A1 GLN 349 HA -0.05 0.23 0.69 -0.75 4.36 4.47 2d23A1 GLN 349 HB2 -0.19 -0.10 0.21 -0.04 2.15 2.04 2d23A1 GLN 349 HB3 -0.07 0.07 -0.00 -0.04 2.02 1.98 2d23A1 GLN 349 HG2 -0.07 0.00 -0.04 -0.04 2.40 2.25 2d23A1 GLN 349 HG3 -0.04 -0.06 -0.08 -0.04 2.39 2.17 2d23A1 GLN 349 HE21 0.07 0.05 -0.12 -0.04 6.97 6.93 2d23A1 GLN 349 HE22 0.06 0.35 -0.35 -0.04 7.69 7.70 2d23A1 TRP 350 H 0.17 0.97 0.26 -0.55 7.97 8.82 2d23A1 TRP 350 HA -0.09 0.36 1.03 -0.75 4.62 5.17 2d23A1 TRP 350 HB2 -0.11 0.04 -0.02 -0.04 3.23 3.10 2d23A1 TRP 350 HB3 -0.12 -0.12 -0.17 -0.04 3.23 2.78 2d23A1 TRP 350 HD1 -0.10 0.12 -0.11 -0.04 7.22 7.09 2d23A1 TRP 350 HE1 -0.12 0.39 -0.17 -0.04 10.20 10.25 2d23A1 TRP 350 HE3 -0.14 -0.00 -0.51 -0.04 7.59 6.90 2d23A1 TRP 350 HZ2 -0.14 -0.02 -0.37 -0.04 7.44 6.87 2d23A1 TRP 350 HZ3 -0.11 -0.02 -0.22 -0.04 7.13 6.73 2d23A1 TRP 350 HH2 -0.11 -0.03 -0.25 -0.04 7.19 6.76 2d23A1 THR 351 H 0.13 0.58 0.29 -0.55 8.28 8.73 2d23A1 THR 351 HA 0.12 0.24 0.95 -0.75 4.39 4.94 2d23A1 THR 351 HB 0.07 -0.12 0.08 -0.04 4.32 4.31 2d23A1 THR 351 HG23 0.06 -0.01 -0.19 -0.04 1.22 1.04 2d23A1 TYR 352 H 0.21 0.23 0.13 -0.55 8.29 8.31 2d23A1 TYR 352 HA 0.06 0.38 0.85 -0.75 4.56 5.10 2d23A1 TYR 352 HB2 0.03 0.04 0.03 -0.04 3.06 3.12 2d23A1 TYR 352 HB3 0.03 -0.04 0.15 -0.04 2.98 3.08 2d23A1 TYR 352 HD2 0.05 0.12 -0.09 -0.04 7.15 7.19 2d23A1 TYR 352 HE2 0.07 0.09 -0.03 -0.04 6.85 6.94 2d23A1 THR 353 H 0.06 0.51 0.26 -0.55 8.28 8.56 2d23A1 THR 353 HA -0.03 0.24 0.74 -0.75 4.39 4.59 2d23A1 THR 353 HB -0.01 -0.08 0.17 -0.04 4.32 4.36 2d23A1 THR 353 HG23 0.05 0.09 -0.07 -0.04 1.22 1.25 2d23A1 ASP 354 H -0.05 0.23 0.20 -0.55 8.40 8.23 2d23A1 ASP 354 HA -0.14 0.09 0.55 -0.75 4.63 4.37 2d23A1 ASP 354 HB2 -0.03 0.11 0.14 -0.04 2.71 2.89 2d23A1 ASP 354 HB3 -0.03 -0.14 0.21 -0.04 2.70 2.70 2d23A1 ALA 355 H -0.06 0.03 -0.35 -0.55 8.40 7.47 2d23A1 ALA 355 HA -0.04 0.27 0.70 -0.75 4.34 4.52 2d23A1 ALA 355 HB3 -0.02 0.01 0.07 -0.04 1.41 1.43 2d23A1 GLY 356 H -0.19 0.39 -0.41 -0.55 8.43 7.67 2d23A1 GLY 356 HA2 -0.22 0.13 0.38 -0.51 4.01 3.78 2d23A1 GLY 356 HA3 -0.01 -0.02 0.52 -0.51 4.01 4.00 2d23A1 GLU 357 H 0.03 -0.15 -0.19 -0.55 8.60 7.75 2d23A1 GLU 357 HA 0.31 0.45 0.80 -0.75 4.29 5.09 2d23A1 GLU 357 HB2 0.12 -0.10 -0.03 -0.04 2.09 2.04 2d23A1 GLU 357 HB3 0.17 0.05 0.04 -0.04 1.99 2.21 2d23A1 GLU 357 HG2 0.03 0.09 -0.06 -0.04 2.34 2.36 2d23A1 GLU 357 HG3 0.02 -0.05 -0.20 -0.04 2.34 2.08 2d23A1 LEU 358 H 0.31 0.27 0.15 -0.55 8.37 8.55 2d23A1 LEU 358 HA 0.23 0.27 0.76 -0.75 4.35 4.86 2d23A1 LEU 358 HB2 -0.26 -0.05 0.14 -0.04 1.64 1.43 2d23A1 LEU 358 HB3 -0.12 0.05 -0.03 -0.04 1.64 1.50 2d23A1 LEU 358 HG 0.01 -0.01 -0.29 -0.04 1.64 1.30 2d23A1 LEU 358 HD13 -0.81 -0.00 -0.16 -0.04 0.93 -0.08 2d23A1 LEU 358 HD23 -0.09 0.03 -0.19 -0.04 0.89 0.60 2d23A1 ARG 359 H 0.20 0.73 0.21 -0.55 8.46 9.05 2d23A1 ARG 359 HA 0.18 0.31 1.02 -0.75 4.34 5.09 2d23A1 ARG 359 HB2 0.08 -0.03 0.07 -0.04 1.90 1.98 2d23A1 ARG 359 HB3 0.05 -0.03 -0.06 -0.04 1.80 1.71 2d23A1 ARG 359 HG2 0.12 0.03 -0.16 -0.04 1.67 1.62 2d23A1 ARG 359 HG3 0.12 -0.10 -0.14 -0.04 1.67 1.51 2d23A1 ARG 359 HD2 0.06 -0.05 -0.04 -0.04 3.22 3.14 2d23A1 ARG 359 HD3 0.06 0.27 -0.06 -0.04 3.22 3.44 2d23A1 VAL 360 H -0.07 0.61 0.31 -0.55 8.24 8.54 2d23A1 VAL 360 HA -0.52 0.34 0.82 -0.75 4.13 4.02 2d23A1 VAL 360 HB -1.86 0.08 -0.23 -0.04 2.12 0.06 2d23A1 VAL 360 HG13 -0.49 -0.01 -0.18 -0.04 0.97 0.25 2d23A1 VAL 360 HG23 -1.48 0.06 -0.03 -0.04 0.95 -0.55 2d23A1 TYR 361 H -0.34 0.33 0.16 -0.55 8.29 7.89 2d23A1 TYR 361 HA -0.10 0.06 0.35 -0.75 4.56 4.11 2d23A1 TYR 361 HB2 -0.07 0.09 0.16 -0.04 3.06 3.20 2d23A1 TYR 361 HB3 -0.06 -0.01 0.18 -0.04 2.98 3.05 2d23A1 TYR 361 HD2 -0.09 -0.03 -0.10 -0.04 7.15 6.89 2d23A1 TYR 361 HE2 -0.08 -0.01 -0.11 -0.04 6.85 6.61 2d23A1 GLY 362 H -0.03 0.06 -0.72 -0.55 8.43 7.20 2d23A1 GLY 362 HA2 0.02 0.01 0.28 -0.51 4.01 3.81 2d23A1 GLY 362 HA3 0.03 0.18 0.61 -0.51 4.01 4.33 2d23A1 ASP 363 H 0.08 0.26 -0.36 -0.55 8.40 7.82 2d23A1 ASP 363 HA 0.06 0.20 0.94 -0.75 4.63 5.08 2d23A1 ASP 363 HB2 0.04 0.01 -0.11 -0.04 2.71 2.61 2d23A1 ASP 363 HB3 0.04 0.02 0.05 -0.04 2.70 2.78 2d23A1 LYS 364 H 0.08 0.35 0.08 -0.55 8.42 8.38 2d23A1 LYS 364 HA 0.13 0.12 0.86 -0.75 4.32 4.67 2d23A1 LYS 364 HB2 0.15 0.20 0.09 -0.04 1.87 2.27 2d23A1 LYS 364 HB3 0.17 -0.02 -0.07 -0.04 1.79 1.83 2d23A1 LYS 364 HG2 0.16 -0.09 -0.15 -0.04 1.46 1.34 2d23A1 LYS 364 HG3 0.26 0.06 -0.09 -0.04 1.46 1.65 2d23A1 LYS 364 HD2 0.09 -0.06 -0.24 -0.04 1.69 1.44 2d23A1 LYS 364 HD3 0.07 0.04 -0.13 -0.04 1.68 1.63 2d23A1 LYS 364 HE2 0.01 -0.04 -0.07 -0.04 2.99 2.85 2d23A1 LYS 364 HE3 0.01 0.29 0.02 -0.04 2.99 3.27 2d23A1 CYS 365 H 0.21 0.67 0.26 -0.55 8.50 9.09 2d23A1 CYS 365 HA 0.23 0.24 1.05 -0.75 4.58 5.35 2d23A1 CYS 365 HB2 0.23 0.05 -0.02 -0.04 2.97 3.19 2d23A1 CYS 365 HB3 0.24 0.18 -0.06 -0.04 2.97 3.29 2d23A1 LEU 366 H 0.28 0.50 0.29 -0.55 8.37 8.90 2d23A1 LEU 366 HA 0.15 0.14 0.51 -0.75 4.35 4.39 2d23A1 LEU 366 HB2 -0.32 0.08 0.12 -0.04 1.64 1.48 2d23A1 LEU 366 HB3 -0.24 -0.10 0.09 -0.04 1.64 1.36 2d23A1 LEU 366 HG -0.52 -0.01 -0.20 -0.04 1.64 0.87 2d23A1 LEU 366 HD13 -0.57 0.03 -0.11 -0.04 0.93 0.24 2d23A1 LEU 366 HD23 -1.64 -0.01 -0.14 -0.04 0.89 -0.95 2d23A1 ASP 367 H 0.22 0.93 0.43 -0.55 8.40 9.43 2d23A1 ASP 367 HA 0.33 0.22 0.95 -0.75 4.63 5.38 2d23A1 ASP 367 HB2 0.30 0.05 -0.32 -0.04 2.71 2.70 2d23A1 ASP 367 HB3 0.25 -0.05 -0.29 -0.04 2.70 2.56 2d23A1 ALA 368 H 0.13 0.58 0.27 -0.55 8.40 8.84 2d23A1 ALA 368 HA 0.17 0.22 0.87 -0.75 4.34 4.84 2d23A1 ALA 368 HB3 0.04 -0.01 0.12 -0.04 1.41 1.51 2d23A1 ALA 369 H 0.07 0.64 0.21 -0.55 8.40 8.78 2d23A1 ALA 369 HA 0.00 0.09 0.46 -0.75 4.34 4.14 2d23A1 ALA 369 HB3 0.03 -0.01 0.12 -0.04 1.41 1.51 2d23A1 GLY 370 H 0.02 0.20 -0.49 -0.55 8.43 7.61 2d23A1 GLY 370 HA2 -0.00 0.10 0.37 -0.51 4.01 3.97 2d23A1 GLY 370 HA3 0.01 0.00 0.34 -0.51 4.01 3.85 2d23A1 THR 371 H -0.01 0.04 0.15 -0.55 8.28 7.91 2d23A1 THR 371 HA -0.03 0.20 1.00 -0.75 4.39 4.81 2d23A1 THR 371 HB -0.03 0.09 0.04 -0.04 4.32 4.37 2d23A1 THR 371 HG23 -0.03 -0.02 -0.25 -0.04 1.22 0.87 2d23A1 GLY 372 H -0.01 -0.05 0.10 -0.55 8.43 7.92 2d23A1 GLY 372 HA2 -0.05 0.17 0.58 -0.51 4.01 4.21 2d23A1 GLY 372 HA3 -0.03 0.06 0.33 -0.51 4.01 3.86 2d23A1 ASN 373 H -0.12 0.10 0.13 -0.55 8.53 8.10 2d23A1 ASN 373 HA -0.18 0.07 0.34 -0.75 4.76 4.24 2d23A1 ASN 373 HB2 -0.24 0.01 0.13 -0.04 2.88 2.74 2d23A1 ASN 373 HB3 -0.57 0.06 0.07 -0.04 2.79 2.30 2d23A1 ASN 373 HD21 -0.30 0.03 0.08 -0.04 7.03 6.79 2d23A1 ASN 373 HD22 -0.28 0.05 0.07 -0.04 7.74 7.53 2d23A1 GLY 374 H 0.09 0.64 0.35 -0.55 8.43 8.97 2d23A1 GLY 374 HA2 0.14 -0.01 0.34 -0.51 4.01 3.97 2d23A1 GLY 374 HA3 0.07 0.08 0.51 -0.51 4.01 4.16 2d23A1 THR 375 H 0.04 0.33 -0.25 -0.55 8.28 7.85 2d23A1 THR 375 HA 0.04 0.03 0.36 -0.75 4.39 4.07 2d23A1 THR 375 HB 0.05 -0.04 -0.07 -0.04 4.32 4.22 2d23A1 THR 375 HG23 0.05 0.05 -0.28 -0.04 1.22 0.99 2d23A1 LYS 376 H 0.05 0.09 0.18 -0.55 8.42 8.19 2d23A1 LYS 376 HA 0.07 0.17 0.61 -0.75 4.32 4.41 2d23A1 LYS 376 HB2 0.05 0.05 0.15 -0.04 1.87 2.09 2d23A1 LYS 376 HB3 0.05 -0.09 0.19 -0.04 1.79 1.90 2d23A1 LYS 376 HG2 0.07 -0.04 -0.45 -0.04 1.46 1.00 2d23A1 LYS 376 HG3 0.06 0.08 0.02 -0.04 1.46 1.58 2d23A1 LYS 376 HD2 0.05 -0.00 0.04 -0.04 1.69 1.74 2d23A1 LYS 376 HD3 0.06 -0.06 0.00 -0.04 1.68 1.64 2d23A1 LYS 376 HE2 0.08 -0.07 -0.19 -0.04 2.99 2.77 2d23A1 LYS 376 HE3 0.07 -0.09 0.04 -0.04 2.99 2.96 2d23A1 VAL 377 H 0.06 0.57 0.37 -0.55 8.24 8.69 2d23A1 VAL 377 HA 0.13 0.21 0.92 -0.75 4.13 4.63 2d23A1 VAL 377 HB -0.03 0.04 -0.08 -0.04 2.12 2.01 2d23A1 VAL 377 HG13 -0.16 -0.01 -0.20 -0.04 0.97 0.56 2d23A1 VAL 377 HG23 0.12 -0.01 -0.29 -0.04 0.95 0.72 2d23A1 GLN 378 H 0.13 0.78 0.33 -0.55 8.47 9.17 2d23A1 GLN 378 HA 0.10 0.09 0.91 -0.75 4.36 4.70 2d23A1 GLN 378 HB2 0.13 0.04 -0.56 -0.04 2.15 1.71 2d23A1 GLN 378 HB3 0.10 -0.04 -0.49 -0.04 2.02 1.54 2d23A1 GLN 378 HG2 0.16 0.07 -0.22 -0.04 2.40 2.36 2d23A1 GLN 378 HG3 0.20 0.12 -0.29 -0.04 2.39 2.39 2d23A1 GLN 378 HE21 0.03 -0.02 -0.11 -0.04 6.97 6.82 2d23A1 GLN 378 HE22 0.06 -0.02 -0.34 -0.04 7.69 7.35 2d23A1 ILE 379 H 0.18 0.39 0.18 -0.55 8.25 8.44 2d23A1 ILE 379 HA 0.26 0.37 0.89 -0.75 4.18 4.95 2d23A1 ILE 379 HB 0.21 -0.07 -0.11 -0.04 1.89 1.88 2d23A1 ILE 379 HG12 0.17 0.15 0.05 -0.04 1.49 1.82 2d23A1 ILE 379 HG13 0.17 -0.15 -0.18 -0.04 1.21 1.01 2d23A1 ILE 379 HG23 0.27 0.02 -0.21 -0.04 0.93 0.96 2d23A1 ILE 379 HD13 0.20 0.00 -0.30 -0.04 0.88 0.74 2d23A1 TYR 380 H 0.29 0.51 0.27 -0.55 8.29 8.81 2d23A1 TYR 380 HA 0.13 -0.01 0.63 -0.75 4.56 4.55 2d23A1 TYR 380 HB2 0.16 0.03 -0.31 -0.04 3.06 2.90 2d23A1 TYR 380 HB3 0.22 0.04 -0.13 -0.04 2.98 3.07 2d23A1 TYR 380 HD2 0.23 0.07 -0.05 -0.04 7.15 7.36 2d23A1 TYR 380 HE2 -0.08 0.01 -0.03 -0.04 6.85 6.71 2d23A1 SER 381 H -0.52 0.09 0.15 -0.55 8.46 7.64 2d23A1 SER 381 HA 0.05 0.14 0.55 -0.75 4.49 4.47 2d23A1 SER 381 HB2 -0.16 -0.03 0.07 -0.04 3.95 3.79 2d23A1 SER 381 HB3 -0.01 0.11 0.09 -0.04 3.93 4.07 2d23A1 CYS 382 H 0.14 0.43 0.28 -0.55 8.50 8.81 2d23A1 CYS 382 HA 0.22 -0.00 0.46 -0.75 4.58 4.50 2d23A1 CYS 382 HB2 0.11 0.05 0.09 -0.04 2.97 3.19 2d23A1 CYS 382 HB3 0.09 -0.08 -0.03 -0.04 2.97 2.91 2d23A1 TRP 383 H -0.02 -0.09 0.24 -0.55 7.97 7.56 2d23A1 TRP 383 HA 0.06 0.22 0.68 -0.75 4.62 4.82 2d23A1 TRP 383 HB2 0.07 0.00 0.13 -0.04 3.23 3.39 2d23A1 TRP 383 HB3 0.10 0.13 -0.20 -0.04 3.23 3.21 2d23A1 TRP 383 HD1 0.29 0.40 -0.01 -0.04 7.22 7.85 2d23A1 TRP 383 HE1 0.05 0.05 -0.06 -0.04 10.20 10.19 2d23A1 TRP 383 HE3 0.05 0.06 -0.06 -0.04 7.59 7.60 2d23A1 TRP 383 HZ2 -0.02 0.02 -0.02 -0.04 7.44 7.38 2d23A1 TRP 383 HZ3 0.02 0.03 -0.06 -0.04 7.13 7.08 2d23A1 TRP 383 HH2 -0.00 0.00 -0.01 -0.04 7.19 7.14 2d23A1 GLY 384 H -0.31 -0.00 0.15 -0.55 8.43 7.72 2d23A1 GLY 384 HA2 -0.23 0.05 0.29 -0.51 4.01 3.61 2d23A1 GLY 384 HA3 -0.20 0.21 0.69 -0.51 4.01 4.20 2d23A1 GLY 385 H -2.02 0.00 -0.12 -0.55 8.43 5.74 2d23A1 GLY 385 HA2 -0.98 0.11 0.41 -0.51 4.01 3.04 2d23A1 GLY 385 HA3 -1.41 0.05 0.28 -0.51 4.01 2.42 2d23A1 ASP 386 H -0.25 0.19 0.20 -0.55 8.40 7.99 2d23A1 ASP 386 HA -0.24 0.18 0.50 -0.75 4.63 4.32 2d23A1 ASP 386 HB2 -0.12 0.02 0.14 -0.04 2.71 2.70 2d23A1 ASP 386 HB3 -0.16 -0.03 0.07 -0.04 2.70 2.54 2d23A1 ASN 387 H -0.19 0.09 -0.31 -0.55 8.53 7.57 2d23A1 ASN 387 HA -0.31 0.05 0.63 -0.75 4.76 4.37 2d23A1 ASN 387 HB2 -0.07 0.16 0.25 -0.04 2.88 3.19 2d23A1 ASN 387 HB3 -0.07 -0.02 0.07 -0.04 2.79 2.73 2d23A1 ASN 387 HD21 0.17 -0.04 -0.09 -0.04 7.03 7.02 2d23A1 ASN 387 HD22 0.04 0.40 0.05 -0.04 7.74 8.20 2d23A1 GLN 388 H -0.30 0.31 -0.67 -0.55 8.47 7.26 2d23A1 GLN 388 HA 0.09 0.38 0.87 -0.75 4.36 4.95 2d23A1 GLN 388 HB2 -0.21 0.06 0.00 -0.04 2.15 1.96 2d23A1 GLN 388 HB3 0.07 -0.02 0.12 -0.04 2.02 2.15 2d23A1 GLN 388 HG2 0.13 0.14 -0.19 -0.04 2.40 2.44 2d23A1 GLN 388 HG3 -0.16 -0.17 -0.20 -0.04 2.39 1.82 2d23A1 GLN 388 HE21 0.63 0.38 -0.29 -0.04 6.97 7.65 2d23A1 GLN 388 HE22 0.44 0.01 -0.20 -0.04 7.69 7.90 2d23A1 LYS 389 H -0.50 0.20 -0.14 -0.55 8.42 7.42 2d23A1 LYS 389 HA -0.08 0.28 0.76 -0.75 4.32 4.52 2d23A1 LYS 389 HB2 -0.28 -0.00 0.27 -0.04 1.87 1.82 2d23A1 LYS 389 HB3 -0.18 -0.06 0.03 -0.04 1.79 1.54 2d23A1 LYS 389 HG2 -0.13 -0.10 0.04 -0.04 1.46 1.23 2d23A1 LYS 389 HG3 -0.08 0.16 0.14 -0.04 1.46 1.64 2d23A1 LYS 389 HD2 -0.14 0.01 -0.41 -0.04 1.69 1.12 2d23A1 LYS 389 HD3 -0.23 0.02 -0.20 -0.04 1.68 1.23 2d23A1 LYS 389 HE2 -0.09 0.33 0.08 -0.04 2.99 3.27 2d23A1 LYS 389 HE3 -0.16 -0.14 -0.11 -0.04 2.99 2.53 2d23A1 TRP 390 H 0.23 0.75 0.39 -0.55 7.97 8.79 2d23A1 TRP 390 HA -0.02 0.19 0.98 -0.75 4.62 5.02 2d23A1 TRP 390 HB2 -0.01 0.02 -0.13 -0.04 3.23 3.06 2d23A1 TRP 390 HB3 -0.11 -0.02 -0.19 -0.04 3.23 2.88 2d23A1 TRP 390 HD1 0.02 0.05 -0.15 -0.04 7.22 7.10 2d23A1 TRP 390 HE1 -0.03 0.36 -0.18 -0.04 10.20 10.32 2d23A1 TRP 390 HE3 -0.11 -0.01 -0.53 -0.04 7.59 6.91 2d23A1 TRP 390 HZ2 -0.05 -0.00 -0.45 -0.04 7.44 6.89 2d23A1 TRP 390 HZ3 -0.08 0.00 -0.17 -0.04 7.13 6.84 2d23A1 TRP 390 HH2 -0.07 -0.02 -0.22 -0.04 7.19 6.85 2d23A1 ARG 391 H 0.18 0.66 0.25 -0.55 8.46 9.00 2d23A1 ARG 391 HA 0.20 0.11 0.89 -0.75 4.34 4.78 2d23A1 ARG 391 HB2 0.06 -0.03 0.13 -0.04 1.90 2.02 2d23A1 ARG 391 HB3 0.07 0.01 -0.07 -0.04 1.80 1.77 2d23A1 ARG 391 HG2 0.04 -0.07 -0.33 -0.04 1.67 1.27 2d23A1 ARG 391 HG3 -0.00 0.02 -0.21 -0.04 1.67 1.43 2d23A1 ARG 391 HD2 0.02 -0.05 -0.16 -0.04 3.22 2.99 2d23A1 ARG 391 HD3 -0.07 0.14 -0.38 -0.04 3.22 2.88 2d23A1 LEU 392 H 0.08 0.18 0.05 -0.55 8.37 8.14 2d23A1 LEU 392 HA -0.06 0.19 0.80 -0.75 4.35 4.52 2d23A1 LEU 392 HB2 -0.11 -0.04 0.15 -0.04 1.64 1.60 2d23A1 LEU 392 HB3 -0.14 0.11 -0.01 -0.04 1.64 1.56 2d23A1 LEU 392 HG -1.32 -0.03 -0.08 -0.04 1.64 0.17 2d23A1 LEU 392 HD13 -0.44 0.01 -0.10 -0.04 0.93 0.36 2d23A1 LEU 392 HD23 -0.34 -0.02 -0.32 -0.04 0.89 0.17 2d23A1 ASN 393 H 0.03 0.54 0.20 -0.55 8.53 8.74 2d23A1 ASN 393 HA 0.03 0.10 0.51 -0.75 4.76 4.65 2d23A1 ASN 393 HB2 0.04 -0.02 0.08 -0.04 2.88 2.94 2d23A1 ASN 393 HB3 0.03 -0.08 0.08 -0.04 2.79 2.78 2d23A1 ASN 393 HD21 0.04 -0.01 -0.08 -0.04 7.03 6.94 2d23A1 ASN 393 HD22 0.05 -0.05 -0.12 -0.04 7.74 7.58 2d23A1 SER 394 H 0.02 0.16 0.16 -0.55 8.46 8.26 2d23A1 SER 394 HA 0.01 0.14 0.41 -0.75 4.49 4.30 2d23A1 SER 394 HB2 0.00 0.09 0.05 -0.04 3.95 4.06 2d23A1 SER 394 HB3 0.00 0.06 0.12 -0.04 3.93 4.08 2d23A1 ASP 395 H 0.02 -0.01 -0.26 -0.55 8.40 7.60 2d23A1 ASP 395 HA 0.00 0.22 0.56 -0.75 4.63 4.65 2d23A1 ASP 395 HB2 0.00 0.05 0.15 -0.04 2.71 2.87 2d23A1 ASP 395 HB3 0.01 0.03 0.05 -0.04 2.70 2.75 2d23A1 GLY 396 H 0.02 0.47 -0.59 -0.55 8.43 7.79 2d23A1 GLY 396 HA2 0.04 0.15 0.35 -0.51 4.01 4.05 2d23A1 GLY 396 HA3 0.02 0.06 0.57 -0.51 4.01 4.15 2d23A1 SER 397 H 0.05 -0.08 -0.33 -0.55 8.46 7.56 2d23A1 SER 397 HA 0.21 0.44 0.78 -0.75 4.49 5.17 2d23A1 SER 397 HB2 0.10 -0.03 0.07 -0.04 3.95 4.06 2d23A1 SER 397 HB3 0.06 0.03 0.00 -0.04 3.93 3.98 2d23A1 ILE 398 H 0.18 0.26 0.20 -0.55 8.25 8.34 2d23A1 ILE 398 HA 0.02 0.30 0.95 -0.75 4.18 4.70 2d23A1 ILE 398 HB -0.31 -0.05 0.14 -0.04 1.89 1.63 2d23A1 ILE 398 HG12 -0.18 0.02 -0.16 -0.04 1.49 1.13 2d23A1 ILE 398 HG13 0.00 0.08 -0.42 -0.04 1.21 0.83 2d23A1 ILE 398 HG23 -0.23 -0.01 -0.25 -0.04 0.93 0.39 2d23A1 ILE 398 HD13 -0.69 -0.00 -0.17 -0.04 0.88 -0.02 2d23A1 VAL 399 H 0.11 0.56 0.23 -0.55 8.24 8.59 2d23A1 VAL 399 HA 0.17 0.30 0.99 -0.75 4.13 4.83 2d23A1 VAL 399 HB 0.05 -0.05 0.02 -0.04 2.12 2.10 2d23A1 VAL 399 HG13 0.02 0.04 -0.37 -0.04 0.97 0.62 2d23A1 VAL 399 HG23 0.06 -0.00 -0.21 -0.04 0.95 0.76 2d23A1 GLY 400 H 0.11 0.65 0.28 -0.55 8.43 8.92 2d23A1 GLY 400 HA2 -0.73 0.24 0.68 -0.51 4.01 3.70 2d23A1 GLY 400 HA3 -0.49 -0.04 0.37 -0.51 4.01 3.34 2d23A1 VAL 401 H -0.44 0.61 0.25 -0.55 8.24 8.11 2d23A1 VAL 401 HA -0.14 0.10 0.30 -0.75 4.13 3.64 2d23A1 VAL 401 HB -0.26 0.10 0.23 -0.04 2.12 2.14 2d23A1 VAL 401 HG13 -0.12 0.01 -0.18 -0.04 0.97 0.63 2d23A1 VAL 401 HG23 -0.13 0.03 -0.15 -0.04 0.95 0.66 2d23A1 GLN 402 H -0.28 0.29 -0.04 -0.55 8.47 7.90 2d23A1 GLN 402 HA -0.10 0.03 0.37 -0.75 4.36 3.90 2d23A1 GLN 402 HB2 -0.16 -0.17 -0.26 -0.04 2.15 1.53 2d23A1 GLN 402 HB3 -0.18 0.01 -0.05 -0.04 2.02 1.77 2d23A1 GLN 402 HG2 -0.07 0.09 -0.27 -0.04 2.40 2.12 2d23A1 GLN 402 HG3 -0.06 -0.04 -0.03 -0.04 2.39 2.22 2d23A1 GLN 402 HE21 0.02 0.03 -0.03 -0.04 6.97 6.95 2d23A1 GLN 402 HE22 -0.02 -0.03 -0.02 -0.04 7.69 7.58 2d23A1 SER 403 H -0.18 0.00 -0.19 -0.55 8.46 7.55 2d23A1 SER 403 HA -0.06 0.13 0.56 -0.75 4.49 4.36 2d23A1 SER 403 HB2 -0.04 0.22 0.09 -0.04 3.95 4.18 2d23A1 SER 403 HB3 -0.08 0.03 0.15 -0.04 3.93 3.99 2d23A1 GLY 404 H -0.09 0.69 -0.01 -0.55 8.43 8.47 2d23A1 GLY 404 HA2 -0.04 0.04 0.27 -0.51 4.01 3.76 2d23A1 GLY 404 HA3 -0.03 0.10 0.53 -0.51 4.01 4.09 2d23A1 LEU 405 H -0.02 -0.03 -0.17 -0.55 8.37 7.60 2d23A1 LEU 405 HA 0.03 0.16 0.79 -0.75 4.35 4.58 2d23A1 LEU 405 HB2 0.04 -0.04 -0.12 -0.04 1.64 1.48 2d23A1 LEU 405 HB3 0.05 -0.09 -0.18 -0.04 1.64 1.38 2d23A1 LEU 405 HG -0.02 0.13 -0.31 -0.04 1.64 1.40 2d23A1 LEU 405 HD13 -0.04 -0.04 -0.32 -0.04 0.93 0.49 2d23A1 LEU 405 HD23 -0.03 0.01 -0.23 -0.04 0.89 0.60 2d23A1 CYS 406 H 0.11 0.49 0.19 -0.55 8.50 8.74 2d23A1 CYS 406 HA 0.15 0.22 0.90 -0.75 4.58 5.10 2d23A1 CYS 406 HB2 0.13 0.09 0.11 -0.04 2.97 3.26 2d23A1 CYS 406 HB3 0.17 0.21 0.04 -0.04 2.97 3.34 2d23A1 LEU 407 H 0.14 0.52 0.37 -0.55 8.37 8.86 2d23A1 LEU 407 HA 0.05 0.08 0.53 -0.75 4.35 4.25 2d23A1 LEU 407 HB2 -0.15 -0.03 0.20 -0.04 1.64 1.62 2d23A1 LEU 407 HB3 -0.29 0.01 -0.09 -0.04 1.64 1.23 2d23A1 LEU 407 HG -0.48 0.00 -0.05 -0.04 1.64 1.07 2d23A1 LEU 407 HD13 -1.20 -0.01 -0.11 -0.04 0.93 -0.43 2d23A1 LEU 407 HD23 -0.53 -0.00 -0.11 -0.04 0.89 0.20 2d23A1 ASP 408 H 0.15 0.54 0.36 -0.55 8.40 8.90 2d23A1 ASP 408 HA 0.21 0.29 0.89 -0.75 4.63 5.27 2d23A1 ASP 408 HB2 0.17 0.05 -0.38 -0.04 2.71 2.51 2d23A1 ASP 408 HB3 0.17 -0.01 -0.23 -0.04 2.70 2.59 2d23A1 ALA 409 H 0.06 0.53 0.19 -0.55 8.40 8.64 2d23A1 ALA 409 HA 0.12 0.19 0.66 -0.75 4.34 4.56 2d23A1 ALA 409 HB3 -0.00 -0.00 0.06 -0.04 1.41 1.43 2d23A1 VAL 410 H 0.05 0.56 0.26 -0.55 8.24 8.57 2d23A1 VAL 410 HA -0.00 -0.08 0.26 -0.75 4.13 3.56 2d23A1 VAL 410 HB 0.03 -0.04 0.14 -0.04 2.12 2.20 2d23A1 VAL 410 HG13 0.02 -0.01 -0.13 -0.04 0.97 0.81 2d23A1 VAL 410 HG23 0.06 0.06 -0.11 -0.04 0.95 0.92 2d23A1 GLY 411 H -0.08 0.11 0.13 -0.55 8.43 8.05 2d23A1 GLY 411 HA2 -0.08 0.01 0.34 -0.51 4.01 3.78 2d23A1 GLY 411 HA3 -0.03 0.06 0.39 -0.51 4.01 3.92 2d23A1 GLY 412 H -0.07 0.43 -0.21 -0.55 8.43 8.04 2d23A1 GLY 412 HA2 -0.08 -0.05 0.28 -0.51 4.01 3.65 2d23A1 GLY 412 HA3 -0.07 -0.00 0.40 -0.51 4.01 3.82 2d23A1 GLY 413 H -0.03 0.43 -0.52 -0.55 8.43 7.77 2d23A1 GLY 413 HA2 -0.03 -0.02 0.33 -0.51 4.01 3.78 2d23A1 GLY 413 HA3 -0.01 0.02 0.23 -0.51 4.01 3.73 2d23A1 THR 414 H -0.03 -0.03 0.20 -0.55 8.28 7.87 2d23A1 THR 414 HA -0.05 0.18 0.88 -0.75 4.39 4.65 2d23A1 THR 414 HB -0.06 0.04 0.14 -0.04 4.32 4.40 2d23A1 THR 414 HG23 -0.07 0.05 -0.25 -0.04 1.22 0.91 2d23A1 ALA 415 H -0.02 -0.07 0.11 -0.55 8.40 7.87 2d23A1 ALA 415 HA -0.04 0.14 0.56 -0.75 4.34 4.25 2d23A1 ALA 415 HB3 -0.02 0.01 0.09 -0.04 1.41 1.45 2d23A1 ASN 416 H -0.07 0.08 0.14 -0.55 8.53 8.13 2d23A1 ASN 416 HA -0.02 0.15 0.34 -0.75 4.76 4.48 2d23A1 ASN 416 HB2 -0.06 -0.01 0.13 -0.04 2.88 2.90 2d23A1 ASN 416 HB3 0.01 0.04 0.08 -0.04 2.79 2.88 2d23A1 ASN 416 HD21 -0.40 0.01 0.08 -0.04 7.03 6.69 2d23A1 ASN 416 HD22 -0.22 0.03 0.07 -0.04 7.74 7.58 2d23A1 GLY 417 H 0.17 0.61 0.31 -0.55 8.43 8.97 2d23A1 GLY 417 HA2 0.12 -0.02 0.33 -0.51 4.01 3.93 2d23A1 GLY 417 HA3 0.08 0.12 0.66 -0.51 4.01 4.36 2d23A1 THR 418 H 0.05 0.45 -0.23 -0.55 8.28 8.00 2d23A1 THR 418 HA 0.04 -0.01 0.41 -0.75 4.39 4.08 2d23A1 THR 418 HB 0.04 -0.05 -0.05 -0.04 4.32 4.22 2d23A1 THR 418 HG23 0.02 0.09 -0.17 -0.04 1.22 1.13 2d23A1 LEU 419 H 0.05 0.05 0.24 -0.55 8.37 8.16 2d23A1 LEU 419 HA 0.06 0.25 0.73 -0.75 4.35 4.63 2d23A1 LEU 419 HB2 0.05 -0.11 0.09 -0.04 1.64 1.63 2d23A1 LEU 419 HB3 0.05 0.07 0.15 -0.04 1.64 1.87 2d23A1 LEU 419 HG 0.05 0.04 0.14 -0.04 1.64 1.82 2d23A1 LEU 419 HD13 0.04 -0.02 0.05 -0.04 0.93 0.96 2d23A1 LEU 419 HD23 0.05 0.01 -0.04 -0.04 0.89 0.87 2d23A1 ILE 420 H 0.04 0.50 0.32 -0.55 8.25 8.56 2d23A1 ILE 420 HA 0.08 0.22 1.03 -0.75 4.18 4.76 2d23A1 ILE 420 HB -0.05 0.01 0.05 -0.04 1.89 1.86 2d23A1 ILE 420 HG12 0.03 0.08 -0.37 -0.04 1.49 1.20 2d23A1 ILE 420 HG13 -0.10 -0.03 -0.27 -0.04 1.21 0.78 2d23A1 ILE 420 HG23 -0.10 -0.00 -0.13 -0.04 0.93 0.66 2d23A1 ILE 420 HD13 0.23 0.02 -0.38 -0.04 0.88 0.71 2d23A1 GLN 421 H 0.09 0.66 0.41 -0.55 8.47 9.08 2d23A1 GLN 421 HA 0.08 0.16 0.90 -0.75 4.36 4.74 2d23A1 GLN 421 HB2 0.11 0.01 -0.09 -0.04 2.15 2.14 2d23A1 GLN 421 HB3 0.09 -0.03 -0.25 -0.04 2.02 1.79 2d23A1 GLN 421 HG2 0.11 0.10 -0.10 -0.04 2.40 2.48 2d23A1 GLN 421 HG3 0.19 0.04 -0.57 -0.04 2.39 2.02 2d23A1 GLN 421 HE21 0.05 -0.04 -0.04 -0.04 6.97 6.89 2d23A1 GLN 421 HE22 0.02 -0.00 -0.23 -0.04 7.69 7.44 2d23A1 LEU 422 H 0.11 0.45 0.19 -0.55 8.37 8.57 2d23A1 LEU 422 HA 0.16 0.33 0.71 -0.75 4.35 4.79 2d23A1 LEU 422 HB2 0.07 -0.04 0.01 -0.04 1.64 1.65 2d23A1 LEU 422 HB3 0.08 -0.04 -0.16 -0.04 1.64 1.47 2d23A1 LEU 422 HG 0.16 0.04 -0.21 -0.04 1.64 1.58 2d23A1 LEU 422 HD13 0.03 -0.03 -0.14 -0.04 0.93 0.75 2d23A1 LEU 422 HD23 0.29 0.01 -0.22 -0.04 0.89 0.92 2d23A1 TYR 423 H 0.17 0.51 0.17 -0.55 8.29 8.59 2d23A1 TYR 423 HA 0.04 -0.05 0.57 -0.75 4.56 4.36 2d23A1 TYR 423 HB2 0.05 0.02 -0.46 -0.04 3.06 2.63 2d23A1 TYR 423 HB3 0.05 0.06 -0.17 -0.04 2.98 2.88 2d23A1 TYR 423 HD2 0.03 0.16 -0.04 -0.04 7.15 7.26 2d23A1 TYR 423 HE2 0.01 0.03 -0.01 -0.04 6.85 6.85 2d23A1 SER 424 H -0.36 0.09 0.12 -0.55 8.46 7.76 2d23A1 SER 424 HA 0.01 0.03 0.44 -0.75 4.49 4.22 2d23A1 SER 424 HB2 -0.10 -0.03 0.15 -0.04 3.95 3.93 2d23A1 SER 424 HB3 0.07 -0.01 0.09 -0.04 3.93 4.04 2d23A1 CYS 425 H 0.06 0.12 0.27 -0.55 8.50 8.40 2d23A1 CYS 425 HA 0.10 0.01 0.48 -0.75 4.58 4.41 2d23A1 CYS 425 HB2 0.04 0.05 0.14 -0.04 2.97 3.17 2d23A1 CYS 425 HB3 0.05 -0.04 0.04 -0.04 2.97 2.98 2d23A1 SER 426 H 0.05 -0.03 0.25 -0.55 8.46 8.19 2d23A1 SER 426 HA 0.03 0.27 0.87 -0.75 4.49 4.91 2d23A1 SER 426 HB2 0.01 0.03 0.09 -0.04 3.95 4.05 2d23A1 SER 426 HB3 0.06 0.12 -0.09 -0.04 3.93 3.98 2d23A1 ASN 427 H 0.02 -0.02 0.12 -0.55 8.53 8.11 2d23A1 ASN 427 HA -0.01 0.06 0.26 -0.75 4.76 4.32 2d23A1 ASN 427 HB2 -0.01 0.29 0.09 -0.04 2.88 3.21 2d23A1 ASN 427 HB3 -0.01 0.02 0.18 -0.04 2.79 2.93 2d23A1 ASN 427 HD21 0.01 -0.01 -0.05 -0.04 7.03 6.93 2d23A1 ASN 427 HD22 -0.00 0.05 0.00 -0.04 7.74 7.75 2d23A1 GLY 428 H -0.03 -0.11 -0.32 -0.55 8.43 7.43 2d23A1 GLY 428 HA2 -0.06 0.21 0.47 -0.51 4.01 4.13 2d23A1 GLY 428 HA3 -0.06 -0.01 0.23 -0.51 4.01 3.66 2d23A1 SER 429 H -0.10 0.22 0.16 -0.55 8.46 8.21 2d23A1 SER 429 HA -0.16 0.16 0.40 -0.75 4.49 4.14 2d23A1 SER 429 HB2 -0.14 -0.00 0.12 -0.04 3.95 3.88 2d23A1 SER 429 HB3 -0.10 0.09 0.15 -0.04 3.93 4.03 2d23A1 ASN 430 H -0.15 0.06 -0.37 -0.55 8.53 7.53 2d23A1 ASN 430 HA -0.34 0.14 0.61 -0.75 4.76 4.41 2d23A1 ASN 430 HB2 -0.13 0.05 0.19 -0.04 2.88 2.95 2d23A1 ASN 430 HB3 -0.13 0.08 0.05 -0.04 2.79 2.75 2d23A1 ASN 430 HD21 -0.12 -0.03 -0.10 -0.04 7.03 6.74 2d23A1 ASN 430 HD22 -0.08 0.34 0.04 -0.04 7.74 8.00 2d23A1 GLN 431 H -0.23 0.44 -0.49 -0.55 8.47 7.64 2d23A1 GLN 431 HA 0.07 0.36 0.87 -0.75 4.36 4.91 2d23A1 GLN 431 HB2 -0.03 -0.03 0.03 -0.04 2.15 2.08 2d23A1 GLN 431 HB3 0.08 -0.08 0.17 -0.04 2.02 2.15 2d23A1 GLN 431 HG2 0.12 0.33 -0.01 -0.04 2.40 2.80 2d23A1 GLN 431 HG3 -0.00 -0.12 -0.27 -0.04 2.39 1.96 2d23A1 GLN 431 HE21 0.17 0.42 -0.22 -0.04 6.97 7.30 2d23A1 GLN 431 HE22 0.08 -0.03 -0.18 -0.04 7.69 7.51 2d23A1 ARG 432 H -0.49 0.13 -0.10 -0.55 8.46 7.45 2d23A1 ARG 432 HA -0.11 0.28 0.77 -0.75 4.34 4.52 2d23A1 ARG 432 HB2 -0.24 -0.10 0.16 -0.04 1.90 1.67 2d23A1 ARG 432 HB3 -0.14 0.06 -0.00 -0.04 1.80 1.68 2d23A1 ARG 432 HG2 -0.06 0.04 -0.16 -0.04 1.67 1.45 2d23A1 ARG 432 HG3 -0.11 0.03 -0.27 -0.04 1.67 1.27 2d23A1 ARG 432 HD2 -0.05 0.13 0.02 -0.04 3.22 3.27 2d23A1 ARG 432 HD3 -0.05 0.01 -0.03 -0.04 3.22 3.11 2d23A1 TRP 433 H 0.12 0.84 0.35 -0.55 7.97 8.74 2d23A1 TRP 433 HA -0.07 0.23 1.03 -0.75 4.62 5.05 2d23A1 TRP 433 HB2 -0.13 0.00 -0.11 -0.04 3.23 2.96 2d23A1 TRP 433 HB3 -0.13 -0.04 -0.17 -0.04 3.23 2.85 2d23A1 TRP 433 HD1 -0.09 0.17 -0.08 -0.04 7.22 7.18 2d23A1 TRP 433 HE1 -0.09 0.16 -0.17 -0.04 10.20 10.07 2d23A1 TRP 433 HE3 -0.12 0.01 -0.57 -0.04 7.59 6.87 2d23A1 TRP 433 HZ2 -0.10 -0.01 -0.39 -0.04 7.44 6.89 2d23A1 TRP 433 HZ3 -0.10 0.01 -0.17 -0.04 7.13 6.83 2d23A1 TRP 433 HH2 -0.10 -0.01 -0.23 -0.04 7.19 6.81 2d23A1 THR 434 H 0.13 0.66 0.31 -0.55 8.28 8.83 2d23A1 THR 434 HA 0.05 0.19 0.93 -0.75 4.39 4.80 2d23A1 THR 434 HB 0.01 0.02 -0.13 -0.04 4.32 4.18 2d23A1 THR 434 HG23 0.02 0.01 -0.11 -0.04 1.22 1.10 2d23A1 ARG 435 H 0.02 0.21 0.13 -0.55 8.46 8.27 2d23A1 ARG 435 HA 0.04 0.25 1.01 -0.75 4.34 4.88 2d23A1 ARG 435 HB2 0.03 0.00 0.06 -0.04 1.90 1.95 2d23A1 ARG 435 HB3 0.00 0.06 0.08 -0.04 1.80 1.91 2d23A1 ARG 435 HG2 0.00 -0.04 0.13 -0.04 1.67 1.72 2d23A1 ARG 435 HG3 0.01 0.01 0.22 -0.04 1.67 1.87 2d23A1 ARG 435 HD2 0.02 -0.00 0.49 -0.04 3.22 3.68 2d23A1 ARG 435 HD3 -0.04 0.00 0.00 -0.04 3.22 3.15 2d23A1 THR 436 H 0.04 0.24 0.01 -0.55 8.28 8.03 2d23A1 THR 436 HA 0.03 0.16 0.34 -0.75 4.39 4.17 2d23A1 THR 436 HB 0.03 -0.01 -0.10 -0.04 4.32 4.20 2d23A1 THR 436 HG23 0.02 0.00 0.01 -0.04 1.22 1.21