============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. HIS 1 0.900 24.822 61.252 65.282 -99.200 -91.000 PHE 3 1.000 33.714 54.286 62.052 -99.200 -91.000 PHE 4 1.000 28.442 47.469 64.598 -99.200 -91.000 PHE 12 1.000 28.660 46.192 59.263 -99.200 -91.000 PHE 37 1.000 39.690 56.310 36.933 -99.200 -91.000 TRP 41 1.040 51.377 55.982 38.915 -99.200 -91.000 TRP6 41 1.020 51.861 56.826 36.756 -99.200 -91.000 PHE 42 1.000 52.136 54.234 42.667 -99.200 -91.000 TRP 58 1.040 47.864 42.186 42.279 -99.200 -91.000 TRP6 58 1.020 45.859 42.641 41.080 -99.200 -91.000 TYR 59 0.840 49.702 47.477 47.221 -99.200 -91.000 TRP 62 1.040 41.448 54.437 43.519 -99.200 -91.000 TRP6 62 1.020 40.362 56.013 44.924 -99.200 -91.000 HIS 67 0.900 54.497 63.338 47.461 -99.200 -91.000 TYR 71 0.840 37.559 65.854 47.345 -99.200 -91.000 TRP 73 1.040 37.431 63.067 42.447 -99.200 -91.000 TRP6 73 1.020 36.522 62.327 40.406 -99.200 -91.000 HIS 83 0.900 15.222 55.543 51.059 -99.200 -91.000 PHE 93 1.000 46.838 41.756 51.686 -99.200 -91.000 PHE 94 1.000 46.299 49.581 49.195 -99.200 -91.000 HIS 98 0.900 46.661 53.810 56.701 -99.200 -91.000 PHE 101 1.000 41.760 61.853 58.752 -99.200 -91.000 TYR 108 0.840 16.473 59.780 42.314 -99.200 -91.000 TRP 123 1.040 28.505 64.403 43.338 -99.200 -91.000 TRP6 123 1.020 28.172 62.071 43.540 -99.200 -91.000 PHE 130 1.000 35.003 56.318 57.720 -99.200 -91.000 HIS 138 0.900 39.054 50.842 58.458 -99.200 -91.000 PHE 140 1.000 31.241 52.915 56.396 -99.200 -91.000 PHE 151 1.000 21.079 60.017 48.546 -99.200 -91.000 HIS 153 0.900 24.806 57.811 39.274 -99.200 -91.000 TYR 158 0.840 38.427 64.106 52.593 -99.200 -91.000 PHE 166 1.000 32.543 52.852 49.238 -99.200 -91.000 TYR 169 0.840 27.125 46.230 53.326 -99.200 -91.000 HIS 176 0.900 4.815 44.128 34.961 -99.200 -91.000 TYR 182 0.840 16.884 40.868 39.572 -99.200 -91.000 TYR 192 0.840 24.802 32.397 56.406 -99.200 -91.000 HIS 196 0.900 33.635 25.120 51.758 -99.200 -91.000 PHE 197 1.000 34.247 28.717 46.006 -99.200 -91.000 HIS 210 0.900 33.331 33.284 34.323 -99.200 -91.000 TRP 215 1.040 24.216 29.025 50.115 -99.200 -91.000 TRP6 215 1.020 22.320 27.673 50.346 -99.200 -91.000 HIS 225 0.900 23.874 18.963 56.698 -99.200 -91.000 TRP 228 1.040 18.436 25.751 57.312 -99.200 -91.000 TRP6 228 1.020 18.572 27.920 58.227 -99.200 -91.000 PHE 239 1.000 -0.800 33.400 40.614 -99.200 -91.000 HIS 249 0.900 28.416 28.437 35.548 -99.200 -91.000 PHE 250 1.000 27.156 25.838 42.475 -99.200 -91.000 PHE 254 1.000 23.883 17.291 40.530 -99.200 -91.000 PHE 257 1.000 16.012 13.604 46.660 -99.200 -91.000 TRP 267 1.040 9.427 28.828 57.836 -99.200 -91.000 TRP6 267 1.020 10.116 30.095 55.978 -99.200 -91.000 HIS 282 0.900 16.975 21.736 38.740 -99.200 -91.000 TYR 284 0.840 11.069 22.918 41.189 -99.200 -91.000 HIS 294 0.900 10.388 36.895 55.685 -99.200 -91.000 TRP 311 1.040 10.243 34.845 37.357 -99.200 -91.000 TRP6 311 1.020 10.288 36.986 36.388 -99.200 -91.000 TYR 313 0.840 -0.640 39.424 41.648 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1o59A1 HIS 0 HA 0.03 0.00 0.08 -0.75 4.63 3.99 1o59A1 HIS 0 HB2 0.04 -0.00 0.05 -0.04 3.26 3.30 1o59A1 HIS 0 HB3 0.04 -0.07 0.10 -0.04 3.20 3.22 1o59A1 HIS 0 HD2 0.03 -0.01 0.02 -0.04 6.97 6.95 1o59A1 HIS 0 HE1 0.03 0.08 -0.06 -0.04 7.75 7.75 1o59A1 LYS 2 HA -0.06 -0.12 0.19 -0.75 4.32 3.57 1o59A1 LYS 2 HB2 0.07 -0.05 0.13 -0.04 1.87 1.98 1o59A1 LYS 2 HB3 -0.07 -0.06 -0.02 -0.04 1.79 1.59 1o59A1 LYS 2 HG2 -0.04 -0.07 -0.05 -0.04 1.46 1.26 1o59A1 LYS 2 HG3 -0.01 0.18 0.37 -0.04 1.46 1.96 1o59A1 PHE 3 H 0.10 0.09 0.17 -0.55 8.34 8.14 1o59A1 PHE 3 HA 0.17 0.42 1.11 -0.75 4.62 5.56 1o59A1 PHE 3 HB2 -0.02 -0.07 0.07 -0.04 3.15 3.10 1o59A1 PHE 3 HB3 0.04 -0.04 0.01 -0.04 3.06 3.02 1o59A1 PHE 3 HD2 0.01 -0.07 -0.09 -0.04 7.28 7.10 1o59A1 PHE 3 HE2 -0.64 -0.01 -0.08 -0.04 7.38 6.61 1o59A1 PHE 3 HZ -1.06 0.03 -0.08 -0.04 7.32 6.17 1o59A1 PHE 4 H 0.33 0.69 0.38 -0.55 8.34 9.18 1o59A1 PHE 4 HA 0.06 0.12 1.04 -0.75 4.62 5.08 1o59A1 PHE 4 HB2 -0.18 0.01 0.10 -0.04 3.15 3.03 1o59A1 PHE 4 HB3 -0.00 0.02 -0.12 -0.04 3.06 2.92 1o59A1 PHE 4 HD2 0.11 0.06 -0.13 -0.04 7.28 7.28 1o59A1 PHE 4 HE2 0.11 0.02 -0.17 -0.04 7.38 7.29 1o59A1 PHE 4 HZ 0.07 0.03 -0.13 -0.04 7.32 7.25 1o59A1 SER 5 H 0.06 0.15 0.14 -0.55 8.46 8.26 1o59A1 SER 5 HA 0.03 0.14 0.56 -0.75 4.49 4.46 1o59A1 SER 5 HB2 0.05 -0.13 -0.01 -0.04 3.95 3.82 1o59A1 SER 5 HB3 0.02 -0.00 0.16 -0.04 3.93 4.06 1o59A1 LEU 6 H 0.00 0.20 0.21 -0.55 8.37 8.23 1o59A1 LEU 6 HA 0.00 0.14 0.46 -0.75 4.35 4.20 1o59A1 LEU 6 HB2 -0.02 0.05 0.23 -0.04 1.64 1.86 1o59A1 LEU 6 HB3 -0.00 -0.01 0.11 -0.04 1.64 1.70 1o59A1 LEU 6 HG 0.00 0.01 0.02 -0.04 1.64 1.63 1o59A1 LEU 6 HD13 -0.02 0.01 0.06 -0.04 0.93 0.94 1o59A1 LEU 6 HD23 -0.03 0.01 0.07 -0.04 0.89 0.90 1o59A1 ALA 7 H 0.02 0.09 -0.07 -0.55 8.40 7.90 1o59A1 ALA 7 HA 0.03 0.11 0.40 -0.75 4.34 4.12 1o59A1 ALA 7 HB3 0.03 0.02 0.07 -0.04 1.41 1.49 1o59A1 ASP 8 H 0.08 0.31 -0.92 -0.55 8.40 7.33 1o59A1 ASP 8 HA 0.11 0.14 0.74 -0.75 4.63 4.87 1o59A1 ASP 8 HB2 0.23 0.09 0.04 -0.04 2.71 3.04 1o59A1 ASP 8 HB3 0.30 -0.03 0.15 -0.04 2.70 3.08 1o59A1 GLU 9 H 0.07 0.54 -0.16 -0.55 8.60 8.50 1o59A1 GLU 9 HA 0.07 0.06 0.40 -0.75 4.29 4.07 1o59A1 GLU 9 HB2 0.03 0.10 0.18 -0.04 2.09 2.36 1o59A1 GLU 9 HB3 0.05 0.01 0.08 -0.04 1.99 2.08 1o59A1 GLU 9 HG2 0.09 -0.02 -0.11 -0.04 2.34 2.26 1o59A1 GLU 9 HG3 0.09 -0.02 0.05 -0.04 2.34 2.43 1o59A1 ALA 10 H 0.06 0.17 -0.21 -0.55 8.40 7.87 1o59A1 ALA 10 HA 0.02 0.09 0.44 -0.75 4.34 4.14 1o59A1 ALA 10 HB3 0.03 0.02 0.05 -0.04 1.41 1.47 1o59A1 GLU 11 H 0.08 0.15 -0.22 -0.55 8.60 8.06 1o59A1 GLU 11 HA 0.02 0.07 0.53 -0.75 4.29 4.15 1o59A1 GLU 11 HB2 0.24 0.13 0.14 -0.04 2.09 2.56 1o59A1 GLU 11 HB3 0.23 0.03 0.01 -0.04 1.99 2.22 1o59A1 GLU 11 HG2 0.11 0.03 0.02 -0.04 2.34 2.46 1o59A1 GLU 11 HG3 0.07 0.01 0.01 -0.04 2.34 2.39 1o59A1 PHE 12 H -0.03 0.46 -0.06 -0.55 8.34 8.17 1o59A1 PHE 12 HA -1.07 0.06 0.46 -0.75 4.62 3.32 1o59A1 PHE 12 HB2 -0.76 0.01 0.04 -0.04 3.15 2.39 1o59A1 PHE 12 HB3 -0.28 0.11 0.18 -0.04 3.06 3.02 1o59A1 PHE 12 HD2 -0.57 0.03 -0.12 -0.04 7.28 6.58 1o59A1 PHE 12 HE2 -0.15 0.07 -0.23 -0.04 7.38 7.03 1o59A1 PHE 12 HZ -0.07 0.05 -0.05 -0.04 7.32 7.21 1o59A1 LYS 13 H -0.06 0.66 -0.12 -0.55 8.42 8.35 1o59A1 LYS 13 HA -0.40 -0.01 0.36 -0.75 4.32 3.52 1o59A1 LYS 13 HB2 -0.05 0.11 0.17 -0.04 1.87 2.06 1o59A1 LYS 13 HB3 -0.09 -0.01 0.02 -0.04 1.79 1.67 1o59A1 LYS 13 HG2 -0.07 -0.02 0.00 -0.04 1.46 1.33 1o59A1 LYS 13 HG3 0.04 -0.01 0.02 -0.04 1.46 1.47 1o59A1 LYS 13 HD2 0.06 -0.03 -0.19 -0.04 1.69 1.48 1o59A1 LYS 13 HD3 0.04 -0.00 -0.03 -0.04 1.68 1.64 1o59A1 LYS 13 HE2 0.06 0.00 -0.04 -0.04 2.99 2.97 1o59A1 LYS 13 HE3 0.07 -0.01 -0.05 -0.04 2.99 2.96 1o59A1 SER 14 H -0.11 0.49 -0.21 -0.55 8.46 8.08 1o59A1 SER 14 HA -0.08 -0.01 0.52 -0.75 4.49 4.16 1o59A1 SER 14 HB2 -0.06 0.17 0.23 -0.04 3.95 4.26 1o59A1 SER 14 HB3 -0.04 -0.02 -0.09 -0.04 3.93 3.74 1o59A1 ILE 15 H -0.24 0.44 -0.28 -0.55 8.25 7.62 1o59A1 ILE 15 HA -0.09 0.04 0.47 -0.75 4.18 3.84 1o59A1 ILE 15 HB -0.29 0.11 0.16 -0.04 1.89 1.84 1o59A1 ILE 15 HG12 0.02 -0.00 -0.01 -0.04 1.49 1.45 1o59A1 ILE 15 HG13 -0.03 -0.08 -0.07 -0.04 1.21 0.99 1o59A1 ILE 15 HG23 -0.08 0.00 -0.15 -0.04 0.93 0.66 1o59A1 ILE 15 HD13 0.14 0.05 -0.06 -0.04 0.88 0.97 1o59A1 ILE 16 H -0.49 0.57 -0.00 -0.55 8.25 7.78 1o59A1 ILE 16 HA -0.28 0.04 0.29 -0.75 4.18 3.48 1o59A1 ILE 16 HB -0.70 -0.00 0.08 -0.04 1.89 1.22 1o59A1 ILE 16 HG12 -1.29 0.18 -0.01 -0.04 1.49 0.33 1o59A1 ILE 16 HG13 -1.58 -0.07 -0.13 -0.04 1.21 -0.62 1o59A1 ILE 16 HG23 -0.72 0.00 -0.25 -0.04 0.93 -0.08 1o59A1 ILE 16 HD13 -0.30 0.00 -0.15 -0.04 0.88 0.40 1o59A1 ILE 17 H -0.24 0.59 -0.10 -0.55 8.25 7.95 1o59A1 ILE 17 HA -0.12 0.08 0.46 -0.75 4.18 3.84 1o59A1 ILE 17 HB -0.12 0.10 0.19 -0.04 1.89 2.02 1o59A1 ILE 17 HG12 -0.14 0.17 -0.01 -0.04 1.49 1.46 1o59A1 ILE 17 HG13 -0.29 -0.18 -0.07 -0.04 1.21 0.63 1o59A1 ILE 17 HG23 -0.04 0.01 -0.11 -0.04 0.93 0.75 1o59A1 ILE 17 HD13 -0.12 -0.03 0.02 -0.04 0.88 0.70 1o59A1 SER 18 H -0.09 0.23 0.14 -0.55 8.46 8.19 1o59A1 SER 18 HA -0.02 0.04 0.33 -0.75 4.49 4.09 1o59A1 SER 18 HB2 -0.04 0.14 0.15 -0.04 3.95 4.17 1o59A1 SER 18 HB3 -0.02 -0.06 0.07 -0.04 3.93 3.88 1o59A1 LYS 19 H -0.07 0.35 -0.10 -0.55 8.42 8.04 1o59A1 LYS 19 HA -0.02 0.07 0.61 -0.75 4.32 4.23 1o59A1 LYS 19 HB2 -0.06 0.16 0.23 -0.04 1.87 2.16 1o59A1 LYS 19 HB3 -0.03 -0.04 0.02 -0.04 1.79 1.70 1o59A1 LYS 19 HG2 -0.02 -0.03 -0.03 -0.04 1.46 1.34 1o59A1 LYS 19 HG3 -0.04 0.07 -0.03 -0.04 1.46 1.43 1o59A1 LYS 19 HD2 -0.01 0.02 -0.00 -0.04 1.69 1.66 1o59A1 LYS 19 HD3 -0.01 -0.03 -0.01 -0.04 1.68 1.59 1o59A1 LYS 19 HE2 -0.01 -0.03 -0.07 -0.04 2.99 2.85 1o59A1 LYS 19 HE3 -0.01 -0.02 -0.11 -0.04 2.99 2.81 1o59A1 ASN 20 H -0.08 0.25 -0.27 -0.55 8.53 7.88 1o59A1 ASN 20 HA -0.03 0.15 0.63 -0.75 4.76 4.76 1o59A1 ASN 20 HB2 -0.07 0.15 0.12 -0.04 2.88 3.03 1o59A1 ASN 20 HB3 -0.02 -0.09 0.07 -0.04 2.79 2.72 1o59A1 ASN 20 HD21 -0.03 -0.11 -0.06 -0.04 7.03 6.79 1o59A1 ASN 20 HD22 -0.08 0.70 0.02 -0.04 7.74 8.34 1o59A1 LYS 21 H -0.05 0.23 -0.34 -0.55 8.42 7.70 1o59A1 LYS 21 HA -0.03 0.13 0.34 -0.75 4.32 4.00 1o59A1 LYS 21 HB2 -0.02 0.07 0.04 -0.04 1.87 1.92 1o59A1 LYS 21 HB3 -0.02 -0.01 0.13 -0.04 1.79 1.85 1o59A1 LYS 21 HG2 -0.02 0.02 -0.43 -0.04 1.46 0.99 1o59A1 LYS 21 HG3 -0.02 -0.04 -0.08 -0.04 1.46 1.28 1o59A1 LYS 21 HD2 -0.00 -0.10 -0.00 -0.04 1.69 1.54 1o59A1 LYS 21 HD3 -0.01 0.21 -0.07 -0.04 1.68 1.76 1o59A1 LYS 21 HE2 -0.00 0.16 0.02 -0.04 2.99 3.12 1o59A1 LYS 21 HE3 0.01 -0.10 -0.01 -0.04 2.99 2.84 1o59A1 ALA 22 H -0.07 0.35 -0.02 -0.55 8.40 8.11 1o59A1 ALA 22 HA 0.01 0.32 0.59 -0.75 4.34 4.50 1o59A1 ALA 22 HB3 0.01 -0.05 -0.24 -0.04 1.41 1.08 1o59A1 VAL 23 H 0.07 0.50 0.34 -0.55 8.24 8.61 1o59A1 VAL 23 HA 0.11 0.09 0.73 -0.75 4.13 4.31 1o59A1 VAL 23 HB 0.03 -0.08 0.05 -0.04 2.12 2.08 1o59A1 VAL 23 HG13 -0.01 0.04 -0.17 -0.04 0.97 0.79 1o59A1 VAL 23 HG23 -0.00 0.03 -0.10 -0.04 0.95 0.84 1o59A1 ASP 24 H 0.15 0.16 0.08 -0.55 8.40 8.24 1o59A1 ASP 24 HA -0.25 0.22 0.57 -0.75 4.63 4.41 1o59A1 ASP 24 HB2 -0.11 0.01 0.04 -0.04 2.71 2.62 1o59A1 ASP 24 HB3 -0.00 0.04 0.20 -0.04 2.70 2.90 1o59A1 VAL 25 H -0.10 0.60 0.37 -0.55 8.24 8.56 1o59A1 VAL 25 HA -0.05 0.11 0.22 -0.75 4.13 3.66 1o59A1 VAL 25 HB -0.02 0.04 0.02 -0.04 2.12 2.11 1o59A1 VAL 25 HG13 0.00 0.03 -0.03 -0.04 0.97 0.93 1o59A1 VAL 25 HG23 -0.03 0.05 -0.16 -0.04 0.95 0.77 1o59A1 ILE 26 H -0.16 -0.07 -0.27 -0.55 8.25 7.20 1o59A1 ILE 26 HA -0.07 0.37 0.70 -0.75 4.18 4.43 1o59A1 ILE 26 HB -0.10 -0.02 -0.00 -0.04 1.89 1.73 1o59A1 ILE 26 HG12 -0.34 -0.24 0.01 -0.04 1.49 0.88 1o59A1 ILE 26 HG13 -0.25 0.12 -0.25 -0.04 1.21 0.79 1o59A1 ILE 26 HG23 -0.10 0.01 -0.20 -0.04 0.93 0.60 1o59A1 ILE 26 HD13 -0.79 -0.00 -0.25 -0.04 0.88 -0.21 1o59A1 GLY 27 H -0.09 0.17 -0.22 -0.55 8.43 7.75 1o59A1 GLY 27 HA2 -0.04 0.20 0.55 -0.51 4.01 4.20 1o59A1 GLY 27 HA3 -0.04 -0.00 0.33 -0.51 4.01 3.79 1o59A1 SER 28 H -0.01 0.64 0.29 -0.55 8.46 8.83 1o59A1 SER 28 HA -0.00 0.29 0.56 -0.75 4.49 4.58 1o59A1 SER 28 HB2 0.01 -0.02 0.09 -0.04 3.95 3.99 1o59A1 SER 28 HB3 0.01 0.02 0.05 -0.04 3.93 3.97 1o59A1 LYS 29 H 0.00 0.10 -0.24 -0.55 8.42 7.73 1o59A1 LYS 29 HA 0.02 0.11 0.48 -0.75 4.32 4.17 1o59A1 LYS 29 HB2 0.03 0.06 0.13 -0.04 1.87 2.04 1o59A1 LYS 29 HB3 0.02 -0.05 0.11 -0.04 1.79 1.82 1o59A1 LYS 29 HG2 0.00 -0.07 -0.04 -0.04 1.46 1.32 1o59A1 LYS 29 HG3 0.01 0.08 -0.28 -0.04 1.46 1.23 1o59A1 LYS 29 HD2 0.02 0.04 -0.01 -0.04 1.69 1.70 1o59A1 LYS 29 HD3 0.01 -0.02 0.02 -0.04 1.68 1.65 1o59A1 LYS 29 HE2 0.02 -0.02 -0.04 -0.04 2.99 2.91 1o59A1 LYS 29 HE3 0.02 0.04 -0.12 -0.04 2.99 2.88 1o59A1 LEU 30 H -0.01 0.26 -0.31 -0.55 8.37 7.77 1o59A1 LEU 30 HA 0.01 0.21 0.73 -0.75 4.35 4.54 1o59A1 LEU 30 HB2 -0.06 -0.01 0.15 -0.04 1.64 1.68 1o59A1 LEU 30 HB3 -0.03 -0.02 0.06 -0.04 1.64 1.61 1o59A1 LEU 30 HG -0.03 -0.07 -0.01 -0.04 1.64 1.49 1o59A1 LEU 30 HD13 -0.05 -0.02 -0.20 -0.04 0.93 0.63 1o59A1 LEU 30 HD23 -0.05 -0.01 -0.11 -0.04 0.89 0.68 1o59A1 GLY 31 H 0.00 0.18 -0.29 -0.55 8.43 7.77 1o59A1 GLY 31 HA2 0.01 -0.00 0.27 -0.51 4.01 3.78 1o59A1 GLY 31 HA3 0.00 0.13 0.60 -0.51 4.01 4.23 1o59A1 GLY 32 H -0.02 0.28 -0.01 -0.55 8.43 8.14 1o59A1 GLY 32 HA2 -0.03 0.35 1.17 -0.51 4.01 4.99 1o59A1 GLY 32 HA3 -0.03 0.09 -0.01 -0.51 4.01 3.55 1o59A1 GLN 33 H -0.01 0.59 0.32 -0.55 8.47 8.81 1o59A1 GLN 33 HA 0.02 0.10 0.95 -0.75 4.36 4.68 1o59A1 GLN 33 HB2 0.00 0.07 0.07 -0.04 2.15 2.26 1o59A1 GLN 33 HB3 0.03 -0.07 -0.21 -0.04 2.02 1.74 1o59A1 GLN 33 HG2 0.03 -0.07 -0.01 -0.04 2.40 2.30 1o59A1 GLN 33 HG3 0.01 0.16 -0.19 -0.04 2.39 2.33 1o59A1 GLN 33 HE21 0.02 -0.06 -0.02 -0.04 6.97 6.87 1o59A1 GLN 33 HE22 0.02 0.01 -0.05 -0.04 7.69 7.62 1o59A1 VAL 34 H 0.03 0.15 0.14 -0.55 8.24 8.01 1o59A1 VAL 34 HA 0.06 0.19 0.90 -0.75 4.13 4.52 1o59A1 VAL 34 HB 0.05 -0.04 0.12 -0.04 2.12 2.20 1o59A1 VAL 34 HG13 0.10 -0.01 -0.15 -0.04 0.97 0.87 1o59A1 VAL 34 HG23 -0.03 0.00 -0.13 -0.04 0.95 0.75 1o59A1 VAL 35 H 0.13 0.61 0.43 -0.55 8.24 8.86 1o59A1 VAL 35 HA 0.10 0.09 0.56 -0.75 4.13 4.13 1o59A1 VAL 35 HB 0.20 -0.04 0.03 -0.04 2.12 2.27 1o59A1 VAL 35 HG13 0.12 -0.02 -0.12 -0.04 0.97 0.91 1o59A1 VAL 35 HG23 0.19 0.01 -0.03 -0.04 0.95 1.07 1o59A1 SER 36 H 0.18 0.32 0.31 -0.55 8.46 8.72 1o59A1 SER 36 HA -0.14 0.15 0.57 -0.75 4.49 4.32 1o59A1 SER 36 HB2 0.13 0.14 -0.32 -0.04 3.95 3.86 1o59A1 SER 36 HB3 0.42 -0.08 -0.10 -0.04 3.93 4.13 1o59A1 PHE 37 H -0.67 0.40 0.25 -0.55 8.34 7.76 1o59A1 PHE 37 HA -0.62 0.22 0.77 -0.75 4.62 4.24 1o59A1 PHE 37 HB2 -0.30 0.04 0.22 -0.04 3.15 3.07 1o59A1 PHE 37 HB3 -0.38 0.07 0.11 -0.04 3.06 2.83 1o59A1 PHE 37 HD2 -0.11 -0.01 -0.40 -0.04 7.28 6.72 1o59A1 PHE 37 HE2 -0.03 0.03 -0.13 -0.04 7.38 7.22 1o59A1 PHE 37 HZ -0.02 0.03 -0.05 -0.04 7.32 7.24 1o59A1 SER 38 H -1.05 0.55 0.41 -0.55 8.46 7.83 1o59A1 SER 38 HA -0.74 0.10 0.70 -0.75 4.49 3.79 1o59A1 SER 38 HB2 -0.35 0.06 0.15 -0.04 3.95 3.77 1o59A1 SER 38 HB3 -1.75 0.02 0.24 -0.04 3.93 2.41 1o59A1 ASP 39 H 0.18 0.30 0.16 -0.55 8.40 8.49 1o59A1 ASP 39 HA 0.19 0.14 0.63 -0.75 4.63 4.84 1o59A1 ASP 39 HB2 -0.00 0.20 -0.22 -0.04 2.71 2.64 1o59A1 ASP 39 HB3 0.02 -0.01 -0.03 -0.04 2.70 2.64 1o59A1 GLU 40 H 0.15 0.08 0.22 -0.55 8.60 8.51 1o59A1 GLU 40 HA 0.21 0.19 0.66 -0.75 4.29 4.60 1o59A1 GLU 40 HB2 -0.15 -0.04 -0.24 -0.04 2.09 1.62 1o59A1 GLU 40 HB3 -0.12 0.08 -0.03 -0.04 1.99 1.87 1o59A1 GLU 40 HG2 -0.19 0.05 0.19 -0.04 2.34 2.34 1o59A1 GLU 40 HG3 -0.96 0.06 0.02 -0.04 2.34 1.41 1o59A1 TRP 41 H 0.15 -0.04 0.24 -0.55 7.97 7.76 1o59A1 TRP 41 HA -0.15 0.05 0.16 -0.75 4.62 3.92 1o59A1 TRP 41 HB2 -0.23 -0.05 0.19 -0.04 3.23 3.10 1o59A1 TRP 41 HB3 -0.41 -0.05 0.09 -0.04 3.23 2.83 1o59A1 TRP 41 HD1 -2.99 0.03 -0.29 -0.04 7.22 3.93 1o59A1 TRP 41 HE1 -0.56 0.02 -0.06 -0.04 10.20 9.56 1o59A1 TRP 41 HE3 -0.13 -0.05 0.05 -0.04 7.59 7.42 1o59A1 TRP 41 HZ2 -0.10 0.01 0.00 -0.04 7.44 7.30 1o59A1 TRP 41 HZ3 -0.07 -0.00 0.02 -0.04 7.13 7.04 1o59A1 TRP 41 HH2 -0.06 -0.00 0.01 -0.04 7.19 7.10 1o59A1 PHE 42 H 0.13 0.41 -0.07 -0.55 8.34 8.25 1o59A1 PHE 42 HA -0.08 0.14 0.63 -0.75 4.62 4.55 1o59A1 PHE 42 HB2 -0.01 0.01 -0.17 -0.04 3.15 2.94 1o59A1 PHE 42 HB3 0.06 0.02 -0.06 -0.04 3.06 3.04 1o59A1 PHE 42 HD2 0.11 0.12 -0.21 -0.04 7.28 7.26 1o59A1 PHE 42 HE2 0.11 -0.05 -0.04 -0.04 7.38 7.37 1o59A1 PHE 42 HZ 0.04 -0.03 -0.03 -0.04 7.32 7.25 1o59A1 ALA 43 H 0.04 0.31 -0.07 -0.55 8.40 8.13 1o59A1 ALA 43 HA 0.00 0.05 0.68 -0.75 4.34 4.33 1o59A1 ALA 43 HB3 0.03 0.06 -0.18 -0.04 1.41 1.28 1o59A1 SER 44 H -0.01 0.15 0.26 -0.55 8.46 8.32 1o59A1 SER 44 HA -0.09 0.05 0.33 -0.75 4.49 4.03 1o59A1 SER 44 HB2 -0.01 -0.06 0.05 -0.04 3.95 3.89 1o59A1 SER 44 HB3 -0.10 -0.09 0.06 -0.04 3.93 3.76 1o59A1 ALA 45 H -0.35 0.16 0.25 -0.55 8.40 7.91 1o59A1 ALA 45 HA -0.45 0.10 0.48 -0.75 4.34 3.71 1o59A1 ALA 45 HB3 -0.77 0.03 0.11 -0.04 1.41 0.74 1o59A1 GLU 46 H -0.14 0.05 -0.25 -0.55 8.60 7.71 1o59A1 GLU 46 HA -0.04 0.07 0.31 -0.75 4.29 3.88 1o59A1 GLU 46 HB2 -0.04 -0.05 0.07 -0.04 2.09 2.03 1o59A1 GLU 46 HB3 0.01 0.06 -0.11 -0.04 1.99 1.90 1o59A1 GLU 46 HG2 0.01 0.03 0.08 -0.04 2.34 2.42 1o59A1 GLU 46 HG3 0.01 -0.01 0.07 -0.04 2.34 2.36 1o59A1 ASN 47 H 0.01 0.38 -0.46 -0.55 8.53 7.91 1o59A1 ASN 47 HA 0.08 0.01 0.45 -0.75 4.76 4.54 1o59A1 ASN 47 HB2 0.07 0.14 -0.09 -0.04 2.88 2.96 1o59A1 ASN 47 HB3 0.07 0.04 -0.08 -0.04 2.79 2.78 1o59A1 ASN 47 HD21 -0.06 -0.08 0.17 -0.04 7.03 7.01 1o59A1 ASN 47 HD22 -0.05 0.52 0.22 -0.04 7.74 8.40 1o59A1 LEU 48 H 0.04 0.42 -0.27 -0.55 8.37 8.01 1o59A1 LEU 48 HA 0.15 0.26 0.30 -0.75 4.35 4.31 1o59A1 LEU 48 HB2 0.05 0.05 0.04 -0.04 1.64 1.74 1o59A1 LEU 48 HB3 0.20 -0.10 -0.03 -0.04 1.64 1.68 1o59A1 LEU 48 HG 0.08 0.03 0.09 -0.04 1.64 1.79 1o59A1 LEU 48 HD13 -0.20 -0.02 -0.02 -0.04 0.93 0.65 1o59A1 LEU 48 HD23 0.29 0.02 -0.25 -0.04 0.89 0.92 1o59A1 ILE 49 H 0.04 0.23 -0.36 -0.55 8.25 7.62 1o59A1 ILE 49 HA 0.02 0.25 0.84 -0.75 4.18 4.53 1o59A1 ILE 49 HB -0.02 -0.14 0.24 -0.04 1.89 1.94 1o59A1 ILE 49 HG12 0.01 -0.03 -0.00 -0.04 1.49 1.43 1o59A1 ILE 49 HG13 0.01 -0.00 -0.11 -0.04 1.21 1.07 1o59A1 ILE 49 HG23 -0.02 0.01 -0.15 -0.04 0.93 0.73 1o59A1 ILE 49 HD13 -0.00 -0.02 -0.19 -0.04 0.88 0.63 1o59A1 GLN 50 H 0.06 0.42 -0.16 -0.55 8.47 8.24 1o59A1 GLN 50 HA 0.04 0.01 0.48 -0.75 4.36 4.14 1o59A1 GLN 50 HB2 0.09 0.14 0.08 -0.04 2.15 2.42 1o59A1 GLN 50 HB3 0.07 -0.12 0.06 -0.04 2.02 1.99 1o59A1 GLN 50 HG2 0.07 0.13 0.14 -0.04 2.40 2.69 1o59A1 GLN 50 HG3 0.10 -0.07 0.02 -0.04 2.39 2.39 1o59A1 GLN 50 HE21 0.03 -0.03 -0.02 -0.04 6.97 6.90 1o59A1 GLN 50 HE22 0.03 0.38 0.02 -0.04 7.69 8.09 1o59A1 PRO 51 HA 0.03 0.09 0.38 -0.51 4.44 4.43 1o59A1 PRO 51 HB2 0.01 0.04 -0.04 -0.04 2.28 2.24 1o59A1 PRO 51 HB3 0.01 -0.01 0.12 -0.04 2.02 2.10 1o59A1 PRO 51 HG2 0.02 0.01 0.04 -0.04 2.03 2.07 1o59A1 PRO 51 HG3 0.02 0.04 0.07 -0.04 2.03 2.11 1o59A1 PRO 51 HD2 0.03 0.07 0.21 -0.04 3.68 3.96 1o59A1 PRO 51 HD3 0.02 0.10 0.24 -0.04 3.65 3.97 1o59A1 THR 52 H 0.05 -0.01 -0.34 -0.55 8.28 7.44 1o59A1 THR 52 HA 0.04 0.02 0.36 -0.75 4.39 4.05 1o59A1 THR 52 HB 0.08 0.14 0.01 -0.04 4.32 4.51 1o59A1 THR 52 HG23 0.05 -0.02 -0.02 -0.04 1.22 1.18 1o59A1 ALA 53 H 0.07 0.04 0.14 -0.55 8.40 8.09 1o59A1 ALA 53 HA 0.09 0.16 0.69 -0.75 4.34 4.53 1o59A1 ALA 53 HB3 0.08 -0.02 0.07 -0.04 1.41 1.50 1o59A1 PRO 54 HA 0.20 0.08 0.37 -0.51 4.44 4.58 1o59A1 PRO 54 HB2 0.31 -0.01 -0.09 -0.04 2.28 2.45 1o59A1 PRO 54 HB3 0.19 0.24 0.06 -0.04 2.02 2.47 1o59A1 PRO 54 HG2 0.10 -0.11 0.01 -0.04 2.03 1.99 1o59A1 PRO 54 HG3 0.14 0.08 -0.02 -0.04 2.03 2.19 1o59A1 PRO 54 HD2 0.10 0.01 0.14 -0.04 3.68 3.90 1o59A1 PRO 54 HD3 0.11 0.21 0.19 -0.04 3.65 4.11 1o59A1 ILE 55 H 0.23 0.21 0.16 -0.55 8.25 8.30 1o59A1 ILE 55 HA 0.19 0.15 0.79 -0.75 4.18 4.56 1o59A1 ILE 55 HB 0.06 -0.16 0.00 -0.04 1.89 1.76 1o59A1 ILE 55 HG12 0.23 0.06 -0.03 -0.04 1.49 1.71 1o59A1 ILE 55 HG13 0.32 0.03 -0.21 -0.04 1.21 1.31 1o59A1 ILE 55 HG23 0.12 0.05 -0.18 -0.04 0.93 0.88 1o59A1 ILE 55 HD13 0.08 -0.01 -0.10 -0.04 0.88 0.80 1o59A1 ARG 56 H -0.22 0.07 0.09 -0.55 8.46 7.85 1o59A1 ARG 56 HA -0.88 0.19 0.53 -0.75 4.34 3.42 1o59A1 ARG 56 HB2 -0.68 -0.02 0.09 -0.04 1.90 1.25 1o59A1 ARG 56 HB3 -0.27 -0.07 0.12 -0.04 1.80 1.54 1o59A1 ARG 56 HG2 -0.38 -0.02 0.01 -0.04 1.67 1.24 1o59A1 ARG 56 HG3 -0.27 0.00 -0.05 -0.04 1.67 1.31 1o59A1 ARG 56 HD2 -0.52 0.07 0.12 -0.04 3.22 2.86 1o59A1 ARG 56 HD3 -0.99 -0.02 0.03 -0.04 3.22 2.20 1o59A1 ASP 57 H -0.07 -0.00 -0.02 -0.55 8.40 7.76 1o59A1 ASP 57 HA 0.19 0.35 0.77 -0.75 4.63 5.18 1o59A1 ASP 57 HB2 -0.07 0.00 -0.29 -0.04 2.71 2.32 1o59A1 ASP 57 HB3 -0.06 -0.04 0.02 -0.04 2.70 2.58 1o59A1 TRP 67 HA 0.05 -0.07 0.26 -0.75 4.62 4.11 1o59A1 TRP 67 HB2 -0.02 -0.05 0.23 -0.04 3.23 3.35 1o59A1 TRP 67 HB3 -0.06 -0.03 8.47 -0.04 3.23 11.56 1o59A1 TRP 67 HD1 -0.14 0.08 -0.01 -0.04 7.22 7.10 1o59A1 TRP 67 HE1 -0.08 -0.03 -0.33 -0.04 10.20 9.72 1o59A1 TRP 67 HE3 0.02 -0.01 -0.01 -0.04 7.59 7.54 1o59A1 TRP 67 HZ2 0.02 -0.03 -0.11 -0.04 7.44 7.27 1o59A1 TRP 67 HZ3 0.02 -0.04 0.00 -0.04 7.13 7.07 1o59A1 TRP 67 HH2 0.03 -0.02 -0.04 -0.04 7.19 7.13 1o59A1 TYR 68 H -0.54 0.24 0.14 -0.55 8.29 7.57 1o59A1 TYR 68 HA -0.65 0.16 0.39 -0.75 4.56 3.70 1o59A1 TYR 68 HB2 -0.16 0.03 -0.13 -0.04 3.06 2.77 1o59A1 TYR 68 HB3 -0.15 -0.05 -0.29 -0.04 2.98 2.45 1o59A1 TYR 68 HD2 -0.35 0.01 -0.16 -0.04 7.15 6.61 1o59A1 TYR 68 HE2 -0.38 0.00 -0.15 -0.04 6.85 6.29 1o59A1 ASP 69 H -0.41 0.27 -0.00 -0.55 8.40 7.71 1o59A1 ASP 69 HA -0.74 0.06 0.56 -0.75 4.63 3.76 1o59A1 ASP 69 HB2 0.12 0.07 0.07 -0.04 2.71 2.93 1o59A1 ASP 69 HB3 0.06 0.00 0.25 -0.04 2.70 2.98 1o59A1 GLY 70 H -0.19 0.37 0.19 -0.55 8.43 8.26 1o59A1 GLY 70 HA2 0.17 0.24 0.50 -0.51 4.01 4.40 1o59A1 GLY 70 HA3 0.32 0.02 0.04 -0.51 4.01 3.87 1o59A1 TRP 71 H 0.26 0.85 0.24 -0.55 7.97 8.77 1o59A1 TRP 71 HA -0.10 0.20 0.40 -0.75 4.62 4.37 1o59A1 TRP 71 HB2 -0.07 -0.02 0.04 -0.04 3.23 3.14 1o59A1 TRP 71 HB3 -0.10 0.03 0.16 -0.04 3.23 3.28 1o59A1 TRP 71 HD1 -0.19 0.13 0.09 -0.04 7.22 7.21 1o59A1 TRP 71 HE1 -0.19 0.48 0.31 -0.04 10.20 10.76 1o59A1 TRP 71 HE3 -0.11 0.03 -0.11 -0.04 7.59 7.36 1o59A1 TRP 71 HZ2 -0.17 -0.10 0.03 -0.04 7.44 7.15 1o59A1 TRP 71 HZ3 -0.12 0.05 -0.22 -0.04 7.13 6.80 1o59A1 TRP 71 HH2 -0.09 -0.01 -0.46 -0.04 7.19 6.60 1o59A1 GLU 72 H -0.05 0.51 0.11 -0.55 8.60 8.62 1o59A1 GLU 72 HA -0.68 0.41 0.77 -0.75 4.29 4.04 1o59A1 GLU 72 HB2 -0.32 0.02 -0.30 -0.04 2.09 1.44 1o59A1 GLU 72 HB3 -0.02 -0.07 -0.18 -0.04 1.99 1.68 1o59A1 GLU 72 HG2 -0.07 0.10 -0.27 -0.04 2.34 2.06 1o59A1 GLU 72 HG3 -0.45 0.02 -0.33 -0.04 2.34 1.54 1o59A1 THR 73 H -0.48 0.54 0.23 -0.55 8.28 8.01 1o59A1 THR 73 HA -0.07 -0.14 0.73 -0.75 4.39 4.15 1o59A1 THR 73 HB -0.17 -0.03 0.11 -0.04 4.32 4.20 1o59A1 THR 73 HG23 -0.62 0.01 -0.21 -0.04 1.22 0.37 1o59A1 ARG 74 H -0.02 -0.02 0.18 -0.55 8.46 8.04 1o59A1 ARG 74 HA 0.03 0.09 0.47 -0.75 4.34 4.18 1o59A1 ARG 74 HB2 -0.33 0.09 0.11 -0.04 1.90 1.72 1o59A1 ARG 74 HB3 -0.43 -0.04 0.15 -0.04 1.80 1.44 1o59A1 ARG 74 HG2 -0.16 0.02 0.05 -0.04 1.67 1.54 1o59A1 ARG 74 HG3 -0.08 -0.18 0.13 -0.04 1.67 1.50 1o59A1 ARG 74 HD2 -0.13 0.08 -0.59 -0.04 3.22 2.53 1o59A1 ARG 74 HD3 -0.14 0.09 -0.14 -0.04 3.22 2.99 1o59A1 ARG 75 H -0.15 0.08 0.12 -0.55 8.46 7.96 1o59A1 ARG 75 HA -0.22 0.14 0.52 -0.75 4.34 4.02 1o59A1 ARG 75 HB2 -0.70 -0.01 0.00 -0.04 1.90 1.15 1o59A1 ARG 75 HB3 -1.09 0.00 0.05 -0.04 1.80 0.72 1o59A1 ARG 75 HG2 -0.19 0.06 -0.02 -0.04 1.67 1.48 1o59A1 ARG 75 HG3 -0.11 -0.03 0.04 -0.04 1.67 1.53 1o59A1 ARG 75 HD2 -0.25 -0.01 -0.01 -0.04 3.22 2.90 1o59A1 ARG 75 HD3 -0.22 0.02 -0.01 -0.04 3.22 2.97 1o59A1 HIS 76 H -0.14 0.15 0.09 -0.55 8.41 7.97 1o59A1 HIS 76 HA -0.05 0.08 0.25 -0.75 4.63 4.16 1o59A1 HIS 76 HB2 -0.07 0.14 -0.10 -0.04 3.26 3.20 1o59A1 HIS 76 HB3 -0.05 0.02 0.06 -0.04 3.20 3.19 1o59A1 HIS 76 HD2 -0.06 0.02 -0.13 -0.04 6.97 6.76 1o59A1 HIS 76 HE1 -0.03 0.02 -0.02 -0.04 7.75 7.67 1o59A1 ASN 77 H -0.04 0.03 -0.26 -0.55 8.53 7.72 1o59A1 ASN 77 HA -0.04 -0.03 0.36 -0.75 4.76 4.30 1o59A1 ASN 77 HB2 -0.08 -0.02 -0.04 -0.04 2.88 2.70 1o59A1 ASN 77 HB3 -0.04 0.02 -0.10 -0.04 2.79 2.63 1o59A1 ASN 77 HD21 -0.08 0.12 -0.44 -0.04 7.03 6.59 1o59A1 ASN 77 HD22 -0.07 0.49 -0.04 -0.04 7.74 8.07 1o59A1 GLU 78 H -0.03 0.08 0.12 -0.55 8.60 8.23 1o59A1 GLU 78 HA -0.01 0.18 0.55 -0.75 4.29 4.25 1o59A1 GLU 78 HB2 -0.02 -0.02 0.12 -0.04 2.09 2.12 1o59A1 GLU 78 HB3 -0.02 -0.01 0.10 -0.04 1.99 2.02 1o59A1 GLU 78 HG2 -0.01 0.17 -0.02 -0.04 2.34 2.43 1o59A1 GLU 78 HG3 -0.02 -0.02 0.09 -0.04 2.34 2.34 1o59A1 GLU 80 HA 0.05 -0.02 0.12 -0.75 4.29 3.68 1o59A1 GLU 80 HB2 0.04 -0.02 0.11 -0.04 2.09 2.18 1o59A1 GLU 80 HB3 0.11 -0.02 -0.01 -0.04 1.99 2.02 1o59A1 GLU 80 HG2 0.36 0.02 -0.03 -0.04 2.34 2.64 1o59A1 GLU 80 HG3 0.13 -0.01 0.01 -0.04 2.34 2.43 1o59A1 TYR 81 H -0.39 0.27 0.18 -0.55 8.29 7.80 1o59A1 TYR 81 HA -0.12 0.06 0.76 -0.75 4.56 4.51 1o59A1 TYR 81 HB2 -0.47 0.10 0.12 -0.04 3.06 2.77 1o59A1 TYR 81 HB3 -0.81 0.09 -0.16 -0.04 2.98 2.05 1o59A1 TYR 81 HD2 0.04 0.06 -0.40 -0.04 7.15 6.81 1o59A1 TYR 81 HE2 -0.09 -0.04 -0.13 -0.04 6.85 6.54 1o59A1 ASP 82 H 0.00 0.21 0.10 -0.55 8.40 8.16 1o59A1 ASP 82 HA -0.01 0.08 0.86 -0.75 4.63 4.80 1o59A1 ASP 82 HB2 -0.15 0.04 0.06 -0.04 2.71 2.61 1o59A1 ASP 82 HB3 0.09 -0.03 0.03 -0.04 2.70 2.75 1o59A1 TRP 83 H -0.26 0.04 0.27 -0.55 7.97 7.48 1o59A1 TRP 83 HA 0.15 0.42 0.92 -0.75 4.62 5.37 1o59A1 TRP 83 HB2 -0.07 0.02 -0.03 -0.04 3.23 3.11 1o59A1 TRP 83 HB3 0.12 0.10 -0.22 -0.04 3.23 3.18 1o59A1 TRP 83 HD1 0.07 0.18 -0.22 -0.04 7.22 7.22 1o59A1 TRP 83 HE1 -0.04 0.05 -0.00 -0.04 10.20 10.17 1o59A1 TRP 83 HE3 -0.05 0.06 -0.59 -0.04 7.59 6.98 1o59A1 TRP 83 HZ2 -0.02 0.04 -0.06 -0.04 7.44 7.37 1o59A1 TRP 83 HZ3 -0.02 -0.03 -0.41 -0.04 7.13 6.63 1o59A1 TRP 83 HH2 -0.05 0.04 -0.12 -0.04 7.19 7.02 1o59A1 VAL 84 H 0.12 0.59 0.36 -0.55 8.24 8.76 1o59A1 VAL 84 HA 0.07 0.15 0.90 -0.75 4.13 4.49 1o59A1 VAL 84 HB -0.93 -0.02 0.11 -0.04 2.12 1.23 1o59A1 VAL 84 HG13 -0.49 -0.00 0.02 -0.04 0.97 0.46 1o59A1 VAL 84 HG23 -0.17 0.03 -0.06 -0.04 0.95 0.71 1o59A1 ILE 85 H 0.28 0.53 0.28 -0.55 8.25 8.79 1o59A1 ILE 85 HA 0.16 0.36 1.13 -0.75 4.18 5.08 1o59A1 ILE 85 HB 0.30 -0.10 0.08 -0.04 1.89 2.13 1o59A1 ILE 85 HG12 0.04 0.07 -0.19 -0.04 1.49 1.37 1o59A1 ILE 85 HG13 0.18 -0.10 -0.36 -0.04 1.21 0.89 1o59A1 ILE 85 HG23 0.43 0.01 -0.21 -0.04 0.93 1.12 1o59A1 ILE 85 HD13 0.04 -0.01 -0.39 -0.04 0.88 0.48 1o59A1 ILE 86 H 0.24 0.72 0.39 -0.55 8.25 9.05 1o59A1 ILE 86 HA 0.10 0.22 1.22 -0.75 4.18 4.96 1o59A1 ILE 86 HB 0.10 -0.06 0.10 -0.04 1.89 1.99 1o59A1 ILE 86 HG12 0.04 -0.00 -0.21 -0.04 1.49 1.28 1o59A1 ILE 86 HG13 0.08 -0.17 -0.71 -0.04 1.21 0.37 1o59A1 ILE 86 HG23 0.01 0.04 -0.17 -0.04 0.93 0.77 1o59A1 ILE 86 HD13 0.16 0.01 -0.15 -0.04 0.88 0.85 1o59A1 LYS 87 H 0.03 0.58 0.33 -0.55 8.42 8.81 1o59A1 LYS 87 HA -0.39 0.19 0.79 -0.75 4.32 4.15 1o59A1 LYS 87 HB2 -0.07 -0.13 0.11 -0.04 1.87 1.73 1o59A1 LYS 87 HB3 -0.07 0.02 0.20 -0.04 1.79 1.90 1o59A1 LYS 87 HG2 -0.21 0.17 0.10 -0.04 1.46 1.48 1o59A1 LYS 87 HG3 -0.80 0.06 0.12 -0.04 1.46 0.80 1o59A1 LYS 87 HD2 0.04 -0.12 0.01 -0.04 1.69 1.58 1o59A1 LYS 87 HD3 -0.03 -0.01 0.01 -0.04 1.68 1.61 1o59A1 LYS 87 HE2 -0.09 0.15 0.01 -0.04 2.99 3.01 1o59A1 LYS 87 HE3 -0.05 -0.01 0.00 -0.04 2.99 2.89 1o59A1 GLY 89 HA2 -0.03 -0.00 -0.12 -0.51 4.01 3.35 1o59A1 GLY 89 HA3 -0.03 -0.02 -0.18 -0.51 4.01 3.27 1o59A1 VAL 90 H -0.05 0.19 0.16 -0.55 8.24 8.00 1o59A1 VAL 90 HA -0.06 0.07 0.88 -0.75 4.13 4.26 1o59A1 VAL 90 HB -0.04 -0.03 0.20 -0.04 2.12 2.21 1o59A1 VAL 90 HG13 -0.09 -0.01 -0.01 -0.04 0.97 0.83 1o59A1 VAL 90 HG23 -0.02 0.01 -0.08 -0.04 0.95 0.81 1o59A1 ALA 91 H -0.02 0.15 0.23 -0.55 8.40 8.21 1o59A1 ALA 91 HA -0.02 0.07 0.42 -0.75 4.34 4.06 1o59A1 ALA 91 HB3 0.01 0.02 0.14 -0.04 1.41 1.54 1o59A1 ALA 92 H 0.01 0.20 0.00 -0.55 8.40 8.06 1o59A1 ALA 92 HA 0.06 0.29 0.54 -0.75 4.34 4.48 1o59A1 ALA 92 HB3 0.09 0.02 -0.05 -0.04 1.41 1.43 1o59A1 ALA 93 H 0.04 0.47 0.37 -0.55 8.40 8.74 1o59A1 ALA 93 HA 0.01 0.17 0.64 -0.75 4.34 4.41 1o59A1 ALA 93 HB3 0.06 0.00 -0.25 -0.04 1.41 1.18 1o59A1 HIS 94 H 0.16 0.55 0.25 -0.55 8.41 8.82 1o59A1 HIS 94 HA 0.12 0.19 0.87 -0.75 4.63 5.05 1o59A1 HIS 94 HB2 0.03 -0.04 0.18 -0.04 3.26 3.39 1o59A1 HIS 94 HB3 0.05 0.15 0.02 -0.04 3.20 3.38 1o59A1 HIS 94 HD2 -0.00 0.07 -0.04 -0.04 6.97 6.95 1o59A1 HIS 94 HE1 -0.09 0.01 -0.10 -0.04 7.75 7.52 1o59A1 ILE 95 H 0.28 0.14 0.17 -0.55 8.25 8.29 1o59A1 ILE 95 HA 0.15 0.18 0.73 -0.75 4.18 4.48 1o59A1 ILE 95 HB 0.18 -0.03 0.07 -0.04 1.89 2.06 1o59A1 ILE 95 HG12 0.28 0.02 -0.08 -0.04 1.49 1.67 1o59A1 ILE 95 HG13 0.12 -0.03 -0.13 -0.04 1.21 1.13 1o59A1 ILE 95 HG23 0.16 0.01 -0.15 -0.04 0.93 0.90 1o59A1 ILE 95 HD13 0.12 0.01 -0.38 -0.04 0.88 0.58 1o59A1 ILE 96 H 0.12 0.64 0.42 -0.55 8.25 8.89 1o59A1 ILE 96 HA 0.10 0.22 0.86 -0.75 4.18 4.61 1o59A1 ILE 96 HB 0.05 0.03 -0.07 -0.04 1.89 1.86 1o59A1 ILE 96 HG12 -0.03 0.05 -0.11 -0.04 1.49 1.36 1o59A1 ILE 96 HG13 0.00 -0.05 -0.24 -0.04 1.21 0.89 1o59A1 ILE 96 HG23 0.04 0.02 -0.11 -0.04 0.93 0.84 1o59A1 ILE 96 HD13 0.04 0.01 -0.03 -0.04 0.88 0.86 1o59A1 GLY 97 H 0.14 0.37 0.32 -0.55 8.43 8.72 1o59A1 GLY 97 HA2 0.24 0.02 0.44 -0.51 4.01 4.20 1o59A1 GLY 97 HA3 0.09 0.20 0.53 -0.51 4.01 4.32 1o59A1 GLY 98 H -0.48 0.73 0.40 -0.55 8.43 8.53 1o59A1 GLY 98 HA2 -0.21 -0.09 0.44 -0.51 4.01 3.64 1o59A1 GLY 98 HA3 -0.29 0.14 0.47 -0.51 4.01 3.82 1o59A1 GLU 99 H -0.04 0.64 0.37 -0.55 8.60 9.03 1o59A1 GLU 99 HA 0.06 0.40 1.01 -0.75 4.29 5.00 1o59A1 GLU 99 HB2 0.14 0.00 -0.01 -0.04 2.09 2.18 1o59A1 GLU 99 HB3 0.12 -0.10 0.08 -0.04 1.99 2.06 1o59A1 GLU 99 HG2 0.20 -0.05 -0.50 -0.04 2.34 1.95 1o59A1 GLU 99 HG3 0.13 0.07 -0.09 -0.04 2.34 2.40 1o59A1 ILE 100 H 0.52 0.55 0.30 -0.55 8.25 9.08 1o59A1 ILE 100 HA 0.38 0.32 1.01 -0.75 4.18 5.13 1o59A1 ILE 100 HB 0.47 -0.01 0.15 -0.04 1.89 2.46 1o59A1 ILE 100 HG12 0.69 -0.06 -0.32 -0.04 1.49 1.76 1o59A1 ILE 100 HG13 0.25 0.03 -0.10 -0.04 1.21 1.34 1o59A1 ILE 100 HG23 0.13 -0.00 -0.14 -0.04 0.93 0.88 1o59A1 ILE 100 HD13 -0.08 0.02 0.02 -0.04 0.88 0.80 1o59A1 ASP 101 H 0.25 0.75 0.27 -0.55 8.40 9.12 1o59A1 ASP 101 HA 0.20 0.29 1.01 -0.75 4.63 5.37 1o59A1 ASP 101 HB2 0.14 0.04 0.01 -0.04 2.71 2.86 1o59A1 ASP 101 HB3 0.16 -0.04 0.24 -0.04 2.70 3.02 1o59A1 THR 102 H 0.21 0.70 0.23 -0.55 8.28 8.87 1o59A1 THR 102 HA 0.28 0.05 0.87 -0.75 4.39 4.84 1o59A1 THR 102 HB 0.24 -0.07 0.33 -0.04 4.32 4.78 1o59A1 THR 102 HG23 0.16 0.07 0.03 -0.04 1.22 1.44 1o59A1 ALA 103 H 0.08 0.09 -0.48 -0.55 8.40 7.54 1o59A1 ALA 103 HA -0.22 -0.06 0.20 -0.75 4.34 3.50 1o59A1 ALA 103 HB3 -0.26 0.04 -0.06 -0.04 1.41 1.09 1o59A1 PHE 104 H -0.36 0.12 0.10 -0.55 8.34 7.65 1o59A1 PHE 104 HA -0.04 -0.01 0.28 -0.75 4.62 4.10 1o59A1 PHE 104 HB2 -0.20 0.24 0.01 -0.04 3.15 3.15 1o59A1 PHE 104 HB3 -0.13 -0.01 0.11 -0.04 3.06 3.00 1o59A1 PHE 104 HD2 -0.05 0.09 -0.21 -0.04 7.28 7.07 1o59A1 PHE 104 HE2 0.01 0.05 -0.35 -0.04 7.38 7.04 1o59A1 PHE 104 HZ 0.01 0.01 -0.09 -0.04 7.32 7.21 1o59A1 PHE 105 H 0.09 0.56 -0.53 -0.55 8.34 7.90 1o59A1 PHE 105 HA 0.06 0.13 0.71 -0.75 4.62 4.77 1o59A1 PHE 105 HB2 0.04 0.09 0.16 -0.04 3.15 3.41 1o59A1 PHE 105 HB3 -0.03 -0.09 -0.21 -0.04 3.06 2.68 1o59A1 PHE 105 HD2 -0.22 -0.05 -0.25 -0.04 7.28 6.73 1o59A1 PHE 105 HE2 -0.61 0.02 -0.43 -0.04 7.38 6.32 1o59A1 PHE 105 HZ -0.27 -0.01 -0.53 -0.04 7.32 6.46 1o59A1 ASN 106 H 0.16 0.35 -0.15 -0.55 8.53 8.34 1o59A1 ASN 106 HA 0.09 0.12 0.72 -0.75 4.76 4.94 1o59A1 ASN 106 HB2 0.08 0.00 -0.07 -0.04 2.88 2.85 1o59A1 ASN 106 HB3 0.08 0.03 0.18 -0.04 2.79 3.03 1o59A1 ASN 106 HD21 0.02 0.01 -0.01 -0.04 7.03 7.01 1o59A1 ASN 106 HD22 0.04 -0.00 0.04 -0.04 7.74 7.77 1o59A1 GLY 107 H 0.39 0.16 -0.28 -0.55 8.43 8.15 1o59A1 GLY 107 HA2 0.19 0.08 0.29 -0.51 4.01 4.07 1o59A1 GLY 107 HA3 0.08 0.20 0.78 -0.51 4.01 4.56 1o59A1 ASN 108 H 0.08 0.07 -0.25 -0.55 8.53 7.89 1o59A1 ASN 108 HA -0.16 0.26 0.70 -0.75 4.76 4.81 1o59A1 ASN 108 HB2 -0.15 0.01 0.09 -0.04 2.88 2.79 1o59A1 ASN 108 HB3 -0.07 0.02 -0.01 -0.04 2.79 2.69 1o59A1 ASN 108 HD21 -0.00 0.06 -0.09 -0.04 7.03 6.95 1o59A1 ASN 108 HD22 -0.16 0.01 -0.08 -0.04 7.74 7.47 1o59A1 HIS 109 H 0.09 -0.19 -0.49 -0.55 8.41 7.27 1o59A1 HIS 109 HA -0.16 0.10 0.57 -0.75 4.63 4.38 1o59A1 HIS 109 HB2 -0.00 0.15 0.02 -0.04 3.26 3.39 1o59A1 HIS 109 HB3 0.08 0.05 0.16 -0.04 3.20 3.45 1o59A1 HIS 109 HD2 -0.09 0.46 -0.55 -0.04 6.97 6.74 1o59A1 HIS 109 HE1 -0.03 -0.03 -0.01 -0.04 7.75 7.63 1o59A1 ALA 110 H -0.18 0.50 0.20 -0.55 8.40 8.37 1o59A1 ALA 110 HA -0.20 0.14 0.40 -0.75 4.34 3.92 1o59A1 ALA 110 HB3 -0.13 0.01 -0.14 -0.04 1.41 1.11 1o59A1 PRO 111 HA -0.22 0.10 0.59 -0.51 4.44 4.39 1o59A1 PRO 111 HB2 0.09 0.08 0.07 -0.04 2.28 2.48 1o59A1 PRO 111 HB3 -0.16 -0.09 0.15 -0.04 2.02 1.87 1o59A1 PRO 111 HG2 0.01 0.07 0.33 -0.04 2.03 2.39 1o59A1 PRO 111 HG3 -0.17 -0.02 0.17 -0.04 2.03 1.97 1o59A1 PRO 111 HD2 -0.04 0.24 0.13 -0.04 3.68 3.97 1o59A1 PRO 111 HD3 -0.18 0.20 0.31 -0.04 3.65 3.93 1o59A1 PHE 112 H 0.06 0.42 0.08 -0.55 8.34 8.34 1o59A1 PHE 112 HA -0.17 0.24 0.77 -0.75 4.62 4.70 1o59A1 PHE 112 HB2 -0.05 0.07 0.00 -0.04 3.15 3.13 1o59A1 PHE 112 HB3 -0.20 -0.07 -0.10 -0.04 3.06 2.65 1o59A1 PHE 112 HD2 -0.08 0.02 -0.30 -0.04 7.28 6.89 1o59A1 PHE 112 HE2 -0.04 -0.06 -0.05 -0.04 7.38 7.19 1o59A1 PHE 112 HZ -0.04 -0.06 -0.03 -0.04 7.32 7.15 1o59A1 VAL 113 H -0.39 0.54 0.33 -0.55 8.24 8.17 1o59A1 VAL 113 HA -0.06 0.45 1.05 -0.75 4.13 4.81 1o59A1 VAL 113 HB -0.86 -0.01 -0.00 -0.04 2.12 1.20 1o59A1 VAL 113 HG13 -0.36 -0.02 -0.18 -0.04 0.97 0.38 1o59A1 VAL 113 HG23 -0.17 -0.02 -0.24 -0.04 0.95 0.48 1o59A1 SER 114 H -0.02 0.49 0.26 -0.55 8.46 8.64 1o59A1 SER 114 HA -0.08 0.26 0.14 -0.75 4.49 4.07 1o59A1 SER 114 HB2 0.01 0.11 0.13 -0.04 3.95 4.16 1o59A1 SER 114 HB3 0.05 -0.05 -0.00 -0.04 3.93 3.88 1o59A1 ILE 115 H 0.00 0.70 0.28 -0.55 8.25 8.69 1o59A1 ILE 115 HA -0.06 0.34 1.06 -0.75 4.18 4.76 1o59A1 ILE 115 HB 0.12 -0.11 0.06 -0.04 1.89 1.93 1o59A1 ILE 115 HG12 -0.07 0.05 -0.12 -0.04 1.49 1.30 1o59A1 ILE 115 HG13 -0.02 -0.09 -0.57 -0.04 1.21 0.48 1o59A1 ILE 115 HG23 0.22 0.03 -0.08 -0.04 0.93 1.05 1o59A1 ILE 115 HD13 0.42 -0.00 -0.17 -0.04 0.88 1.08 1o59A1 GLU 116 H -0.09 0.68 0.36 -0.55 8.60 8.99 1o59A1 GLU 116 HA 0.00 0.13 0.93 -0.75 4.29 4.60 1o59A1 GLU 116 HB2 -0.28 -0.03 -0.06 -0.04 2.09 1.67 1o59A1 GLU 116 HB3 0.11 -0.03 -0.20 -0.04 1.99 1.83 1o59A1 GLU 116 HG2 -0.06 -0.02 -0.28 -0.04 2.34 1.94 1o59A1 GLU 116 HG3 -0.20 -0.00 -0.31 -0.04 2.34 1.79 1o59A1 ALA 117 H 0.07 0.69 0.40 -0.55 8.40 9.01 1o59A1 ALA 117 HA 0.44 0.16 0.88 -0.75 4.34 5.07 1o59A1 ALA 117 HB3 -0.60 0.01 0.03 -0.04 1.41 0.81 1o59A1 LEU 118 H 0.09 0.53 0.32 -0.55 8.37 8.76 1o59A1 LEU 118 HA 0.23 0.24 0.36 -0.75 4.35 4.43 1o59A1 LEU 118 HB2 -0.33 0.01 -0.01 -0.04 1.64 1.27 1o59A1 LEU 118 HB3 -0.75 0.06 -0.32 -0.04 1.64 0.59 1o59A1 LEU 118 HG -1.43 -0.02 -0.20 -0.04 1.64 -0.05 1o59A1 LEU 118 HD13 -0.46 -0.00 -0.43 -0.04 0.93 -0.01 1o59A1 LEU 118 HD23 -1.40 -0.02 -0.22 -0.04 0.89 -0.79 1o59A1 TYR 119 H 0.15 0.28 0.16 -0.55 8.29 8.33 1o59A1 TYR 119 HA 0.05 0.05 1.01 -0.75 4.56 4.91 1o59A1 TYR 119 HB2 -0.13 0.25 0.15 -0.04 3.06 3.30 1o59A1 TYR 119 HB3 -0.06 -0.05 0.20 -0.04 2.98 3.03 1o59A1 TYR 119 HD2 -0.08 -0.07 -0.18 -0.04 7.15 6.78 1o59A1 TYR 119 HE2 -0.06 0.00 -0.12 -0.04 6.85 6.63 1o59A1 ASP 120 H -0.31 0.28 0.14 -0.55 8.40 7.96 1o59A1 ASP 120 HA -0.25 0.09 0.88 -0.75 4.63 4.59 1o59A1 ASP 120 HB2 -0.33 -0.05 -0.15 -0.04 2.71 2.14 1o59A1 ASP 120 HB3 -0.15 0.06 -0.01 -0.04 2.70 2.55 1o59A1 GLU 121 H -0.17 0.04 0.09 -0.55 8.60 8.01 1o59A1 GLU 121 HA -0.20 0.24 0.67 -0.75 4.29 4.24 1o59A1 GLU 121 HB2 -0.06 -0.12 0.20 -0.04 2.09 2.07 1o59A1 GLU 121 HB3 -0.04 0.03 0.04 -0.04 1.99 1.98 1o59A1 GLU 121 HG2 -0.15 0.04 -0.20 -0.04 2.34 1.99 1o59A1 GLU 121 HG3 0.03 -0.01 -0.01 -0.04 2.34 2.31 1o59A1 GLY 122 H -0.06 0.03 0.12 -0.55 8.43 7.97 1o59A1 GLY 122 HA2 -0.02 0.10 0.39 -0.51 4.01 3.97 1o59A1 GLY 122 HA3 -0.03 0.00 0.27 -0.51 4.01 3.74 1o59A1 GLU 123 H -0.01 0.21 0.13 -0.55 8.60 8.39 1o59A1 GLU 123 HA 0.01 0.09 0.66 -0.75 4.29 4.29 1o59A1 GLU 123 HB2 0.01 0.10 0.13 -0.04 2.09 2.30 1o59A1 GLU 123 HB3 0.01 -0.02 0.19 -0.04 1.99 2.13 1o59A1 GLU 123 HG2 0.02 0.03 0.02 -0.04 2.34 2.38 1o59A1 GLU 123 HG3 0.02 -0.05 -0.02 -0.04 2.34 2.25 1o59A1 GLU 124 H -0.02 0.53 -0.01 -0.55 8.60 8.54 1o59A1 GLU 124 HA -0.01 0.08 0.34 -0.75 4.29 3.95 1o59A1 GLU 124 HB2 -0.03 -0.03 0.03 -0.04 2.09 2.02 1o59A1 GLU 124 HB3 -0.03 -0.04 -0.02 -0.04 1.99 1.86 1o59A1 GLU 124 HG2 -0.05 -0.01 -0.06 -0.04 2.34 2.19 1o59A1 GLU 124 HG3 -0.04 -0.05 -0.24 -0.04 2.34 1.97 1o59A1 GLY 125 H -0.01 0.21 0.01 -0.55 8.43 8.09 1o59A1 GLY 125 HA2 0.00 0.06 0.14 -0.51 4.01 3.71 1o59A1 GLY 125 HA3 -0.01 0.10 0.48 -0.51 4.01 4.07 1o59A1 ASN 126 H 0.01 0.15 0.07 -0.55 8.53 8.21 1o59A1 ASN 126 HA 0.04 0.09 0.74 -0.75 4.76 4.88 1o59A1 ASN 126 HB2 0.03 -0.04 0.13 -0.04 2.88 2.96 1o59A1 ASN 126 HB3 0.05 0.11 0.01 -0.04 2.79 2.93 1o59A1 ASN 126 HD21 0.03 0.04 -0.03 -0.04 7.03 7.03 1o59A1 ASN 126 HD22 0.02 -0.07 0.06 -0.04 7.74 7.71 1o59A1 ILE 127 H 0.01 0.16 0.13 -0.55 8.25 7.99 1o59A1 ILE 127 HA -0.07 -0.02 0.29 -0.75 4.18 3.62 1o59A1 ILE 127 HB -0.01 -0.02 -0.01 -0.04 1.89 1.81 1o59A1 ILE 127 HG12 -0.32 0.07 0.04 -0.04 1.49 1.25 1o59A1 ILE 127 HG13 -1.00 0.02 -0.07 -0.04 1.21 0.11 1o59A1 ILE 127 HG23 -0.09 -0.01 -0.23 -0.04 0.93 0.55 1o59A1 ILE 127 HD13 -0.32 -0.01 -0.07 -0.04 0.88 0.44 1o59A1 VAL 128 H 0.00 0.07 0.11 -0.55 8.24 7.87 1o59A1 VAL 128 HA 0.04 0.24 0.82 -0.75 4.13 4.48 1o59A1 VAL 128 HB -0.01 -0.07 0.06 -0.04 2.12 2.06 1o59A1 VAL 128 HG13 0.02 0.05 -0.07 -0.04 0.97 0.93 1o59A1 VAL 128 HG23 0.01 -0.03 -0.13 -0.04 0.95 0.75 1o59A1 GLU 129 H -0.25 0.17 0.06 -0.55 8.60 8.04 1o59A1 GLU 129 HA -0.50 0.10 0.23 -0.75 4.29 3.37 1o59A1 GLU 129 HB2 -1.83 -0.00 0.02 -0.04 2.09 0.24 1o59A1 GLU 129 HB3 -0.59 -0.00 0.02 -0.04 1.99 1.37 1o59A1 GLU 129 HG2 -1.43 0.00 -0.08 -0.04 2.34 0.80 1o59A1 GLU 129 HG3 -2.64 0.01 -0.10 -0.04 2.34 -0.43 1o59A1 ASP 130 H -0.05 0.03 -0.27 -0.55 8.40 7.55 1o59A1 ASP 130 HA 0.02 0.27 0.53 -0.75 4.63 4.70 1o59A1 ASP 130 HB2 0.00 0.05 0.08 -0.04 2.71 2.80 1o59A1 ASP 130 HB3 -0.05 -0.01 -0.04 -0.04 2.70 2.56 1o59A1 ASP 131 H 0.28 0.31 -0.58 -0.55 8.40 7.86 1o59A1 ASP 131 HA -0.01 -0.00 0.38 -0.75 4.63 4.25 1o59A1 ASP 131 HB2 -0.03 0.06 0.05 -0.04 2.71 2.74 1o59A1 ASP 131 HB3 -0.38 0.05 0.01 -0.04 2.70 2.35 1o59A1 SER 132 H -0.03 0.11 0.17 -0.55 8.46 8.17 1o59A1 SER 132 HA 0.05 0.17 0.27 -0.75 4.49 4.22 1o59A1 SER 132 HB2 0.01 0.04 0.12 -0.04 3.95 4.08 1o59A1 SER 132 HB3 0.01 0.02 0.13 -0.04 3.93 4.05 1o59A1 ARG 133 H -0.16 -0.07 -0.57 -0.55 8.46 7.10 1o59A1 ARG 133 HA -0.03 0.18 0.50 -0.75 4.34 4.23 1o59A1 ARG 133 HB2 -0.32 -0.05 -0.04 -0.04 1.90 1.45 1o59A1 ARG 133 HB3 -0.12 -0.01 0.13 -0.04 1.80 1.76 1o59A1 ARG 133 HG2 -0.05 0.06 -0.00 -0.04 1.67 1.64 1o59A1 ARG 133 HG3 -0.09 -0.13 -0.07 -0.04 1.67 1.34 1o59A1 ARG 133 HD2 -0.09 0.16 0.06 -0.04 3.22 3.31 1o59A1 ARG 133 HD3 -0.07 -0.02 0.01 -0.04 3.22 3.10 1o59A1 TRP 134 H -0.02 0.32 -0.32 -0.55 7.97 7.40 1o59A1 TRP 134 HA -0.02 0.11 0.47 -0.75 4.62 4.42 1o59A1 TRP 134 HB2 -0.05 0.10 0.01 -0.04 3.23 3.24 1o59A1 TRP 134 HB3 -0.06 -0.07 -0.16 -0.04 3.23 2.90 1o59A1 TRP 134 HD1 -0.11 0.11 -0.03 -0.04 7.22 7.16 1o59A1 TRP 134 HE1 -0.16 0.27 -0.03 -0.04 10.20 10.24 1o59A1 TRP 134 HE3 -0.06 0.04 -0.42 -0.04 7.59 7.11 1o59A1 TRP 134 HZ2 -0.06 -0.03 -0.30 -0.04 7.44 7.01 1o59A1 TRP 134 HZ3 0.01 0.08 -0.39 -0.04 7.13 6.78 1o59A1 TRP 134 HH2 0.07 0.01 -0.51 -0.04 7.19 6.72 1o59A1 VAL 135 H 0.26 0.48 0.37 -0.55 8.24 8.80 1o59A1 VAL 135 HA 0.11 0.12 0.89 -0.75 4.13 4.50 1o59A1 VAL 135 HB 0.09 0.03 0.18 -0.04 2.12 2.37 1o59A1 VAL 135 HG13 0.13 0.00 -0.14 -0.04 0.97 0.92 1o59A1 VAL 135 HG23 0.16 0.05 -0.12 -0.04 0.95 1.01 1o59A1 GLU 136 H 0.05 0.15 0.12 -0.55 8.60 8.38 1o59A1 GLU 136 HA 0.01 0.06 0.70 -0.75 4.29 4.30 1o59A1 GLU 136 HB2 0.01 -0.01 0.06 -0.04 2.09 2.10 1o59A1 GLU 136 HB3 0.03 -0.01 0.08 -0.04 1.99 2.05 1o59A1 GLU 136 HG2 0.03 -0.02 -0.41 -0.04 2.34 1.89 1o59A1 GLU 136 HG3 -0.00 0.07 -0.11 -0.04 2.34 2.26 1o59A1 ILE 137 H 0.02 0.56 0.45 -0.55 8.25 8.73 1o59A1 ILE 137 HA 0.05 0.19 0.94 -0.75 4.18 4.61 1o59A1 ILE 137 HB 0.06 -0.00 0.02 -0.04 1.89 1.93 1o59A1 ILE 137 HG12 -0.04 -0.06 -0.22 -0.04 1.49 1.13 1o59A1 ILE 137 HG13 0.07 0.03 -0.20 -0.04 1.21 1.07 1o59A1 ILE 137 HG23 -0.16 0.03 -0.20 -0.04 0.93 0.56 1o59A1 ILE 137 HD13 -0.00 -0.00 -0.18 -0.04 0.88 0.65 1o59A1 VAL 138 H 0.05 0.50 0.26 -0.55 8.24 8.50 1o59A1 VAL 138 HA 0.09 0.14 0.72 -0.75 4.13 4.33 1o59A1 VAL 138 HB 0.10 -0.14 0.11 -0.04 2.12 2.15 1o59A1 VAL 138 HG13 0.03 0.07 -0.16 -0.04 0.97 0.87 1o59A1 VAL 138 HG23 0.23 -0.00 -0.29 -0.04 0.95 0.85 1o59A1 GLU 139 H 0.09 0.14 0.00 -0.55 8.60 8.28 1o59A1 GLU 139 HA 0.04 -0.01 0.43 -0.75 4.29 3.99 1o59A1 GLU 139 HB2 0.04 -0.03 0.09 -0.04 2.09 2.16 1o59A1 GLU 139 HB3 0.06 -0.02 0.07 -0.04 1.99 2.07 1o59A1 GLU 139 HG2 0.15 -0.07 -0.08 -0.04 2.34 2.30 1o59A1 GLU 139 HG3 0.13 0.19 -0.24 -0.04 2.34 2.37 1o59A1 LYS 140 H -0.02 0.01 0.15 -0.55 8.42 8.01 1o59A1 LYS 140 HA -0.08 0.35 0.45 -0.75 4.32 4.29 1o59A1 LYS 140 HB2 -0.25 -0.06 0.09 -0.04 1.87 1.61 1o59A1 LYS 140 HB3 -0.18 -0.05 0.10 -0.04 1.79 1.61 1o59A1 LYS 140 HG2 -0.21 0.05 -0.19 -0.04 1.46 1.07 1o59A1 LYS 140 HG3 -0.72 0.02 -0.20 -0.04 1.46 0.53 1o59A1 LYS 140 HD2 -0.49 -0.06 -0.06 -0.04 1.69 1.04 1o59A1 LYS 140 HD3 -0.87 -0.00 -0.12 -0.04 1.68 0.64 1o59A1 LYS 140 HE2 -1.50 0.09 -0.13 -0.04 2.99 1.41 1o59A1 LYS 140 HE3 -1.21 -0.04 -0.09 -0.04 2.99 1.61 1o59A1 PHE 141 H -0.28 0.63 0.43 -0.55 8.34 8.56 1o59A1 PHE 141 HA 0.13 0.08 0.74 -0.75 4.62 4.81 1o59A1 PHE 141 HB2 0.07 -0.04 0.09 -0.04 3.15 3.22 1o59A1 PHE 141 HB3 0.18 0.08 -0.11 -0.04 3.06 3.17 1o59A1 PHE 141 HD2 -0.10 0.28 -0.25 -0.04 7.28 7.17 1o59A1 PHE 141 HE2 -0.35 -0.05 -0.17 -0.04 7.38 6.76 1o59A1 PHE 141 HZ -0.33 -0.07 -0.16 -0.04 7.32 6.72 1o59A1 GLU 142 H 0.19 0.08 0.17 -0.55 8.60 8.48 1o59A1 GLU 142 HA -0.59 0.34 0.70 -0.75 4.29 3.98 1o59A1 GLU 142 HB2 -0.01 -0.07 0.15 -0.04 2.09 2.12 1o59A1 GLU 142 HB3 -0.09 -0.09 0.10 -0.04 1.99 1.88 1o59A1 GLU 142 HG2 -0.24 0.07 -0.09 -0.04 2.34 2.04 1o59A1 GLU 142 HG3 -0.80 0.19 0.17 -0.04 2.34 1.87 1o59A1 CYS 143 H -0.31 0.60 0.18 -0.55 8.50 8.43 1o59A1 CYS 143 HA -0.27 0.06 0.84 -0.75 4.58 4.46 1o59A1 CYS 143 HB2 -0.08 0.44 -0.02 -0.04 2.97 3.27 1o59A1 CYS 143 HB3 -0.15 -0.04 0.01 -0.04 2.97 2.74 1o59A1 GLY 144 H 0.50 0.08 0.06 -0.55 8.43 8.52 1o59A1 GLY 144 HA2 -0.26 0.20 0.82 -0.51 4.01 4.26 1o59A1 GLY 144 HA3 -0.08 -0.01 0.26 -0.51 4.01 3.67 1o59A1 PRO 145 HA -0.40 0.12 0.49 -0.51 4.44 4.15 1o59A1 PRO 145 HB2 -0.05 -0.00 0.02 -0.04 2.28 2.21 1o59A1 PRO 145 HB3 -0.05 -0.08 0.10 -0.04 2.02 1.95 1o59A1 PRO 145 HG2 -0.10 0.03 0.07 -0.04 2.03 1.99 1o59A1 PRO 145 HG3 -0.07 0.05 0.05 -0.04 2.03 2.02 1o59A1 PRO 145 HD2 -0.17 0.08 0.16 -0.04 3.68 3.70 1o59A1 PRO 145 HD3 -0.29 0.18 0.20 -0.04 3.65 3.70 1o59A1 SER 146 H 0.05 0.48 0.25 -0.55 8.46 8.69 1o59A1 SER 146 HA -0.02 0.07 -0.11 -0.75 4.49 3.67 1o59A1 SER 146 HB2 -0.01 -0.00 -0.28 -0.04 3.95 3.61 1o59A1 SER 146 HB3 -0.06 0.13 -0.24 -0.04 3.93 3.72 1o59A1 GLN 147 H -0.00 0.15 -0.12 -0.55 8.47 7.95 1o59A1 GLN 147 HA -0.12 0.06 0.63 -0.75 4.36 4.18 1o59A1 GLN 147 HB2 -0.20 -0.06 0.10 -0.04 2.15 1.95 1o59A1 GLN 147 HB3 -0.14 0.20 -0.27 -0.04 2.02 1.78 1o59A1 GLN 147 HG2 -0.15 0.03 -0.41 -0.04 2.40 1.83 1o59A1 GLN 147 HG3 -0.80 0.06 -0.43 -0.04 2.39 1.18 1o59A1 GLN 147 HE21 -0.12 -0.03 -0.05 -0.04 6.97 6.73 1o59A1 GLN 147 HE22 -0.33 0.09 -0.07 -0.04 7.69 7.34 1o59A1 ARG 148 H -0.13 0.13 0.20 -0.55 8.46 8.10 1o59A1 ARG 148 HA 0.05 0.13 0.76 -0.75 4.34 4.53 1o59A1 ARG 148 HB2 -0.05 -0.04 0.12 -0.04 1.90 1.89 1o59A1 ARG 148 HB3 0.01 0.06 -0.01 -0.04 1.80 1.81 1o59A1 ARG 148 HG2 0.02 0.00 -0.03 -0.04 1.67 1.63 1o59A1 ARG 148 HG3 -0.04 -0.07 0.05 -0.04 1.67 1.56 1o59A1 ARG 148 HD2 0.01 0.03 -0.00 -0.04 3.22 3.21 1o59A1 ARG 148 HD3 -0.01 -0.02 0.02 -0.04 3.22 3.17 1o59A1 HIS 149 H 0.28 0.53 0.31 -0.55 8.41 8.98 1o59A1 HIS 149 HA 0.12 0.14 0.91 -0.75 4.63 5.05 1o59A1 HIS 149 HB2 0.40 -0.08 0.19 -0.04 3.26 3.73 1o59A1 HIS 149 HB3 0.30 0.03 0.03 -0.04 3.20 3.51 1o59A1 HIS 149 HD2 -0.04 0.04 -0.00 -0.04 6.97 6.93 1o59A1 HIS 149 HE1 0.02 0.06 0.00 -0.04 7.75 7.79 1o59A1 LEU 150 H 0.13 0.27 0.16 -0.55 8.37 8.39 1o59A1 LEU 150 HA -0.33 0.24 0.95 -0.75 4.35 4.46 1o59A1 LEU 150 HB2 -0.38 -0.01 0.23 -0.04 1.64 1.44 1o59A1 LEU 150 HB3 -2.14 0.03 0.04 -0.04 1.64 -0.47 1o59A1 LEU 150 HG -0.17 -0.05 -0.19 -0.04 1.64 1.20 1o59A1 LEU 150 HD13 -0.30 0.01 -0.09 -0.04 0.93 0.51 1o59A1 LEU 150 HD23 -0.23 0.02 -0.15 -0.04 0.89 0.48 1o59A1 PHE 151 H -0.47 0.64 0.38 -0.55 8.34 8.34 1o59A1 PHE 151 HA -0.08 0.43 1.21 -0.75 4.62 5.43 1o59A1 PHE 151 HB2 -0.56 0.16 -0.05 -0.04 3.15 2.66 1o59A1 PHE 151 HB3 -0.67 -0.07 -0.19 -0.04 3.06 2.10 1o59A1 PHE 151 HD2 0.10 0.01 -0.32 -0.04 7.28 7.03 1o59A1 PHE 151 HE2 0.31 -0.03 -0.32 -0.04 7.38 7.31 1o59A1 PHE 151 HZ 0.47 0.04 -0.21 -0.04 7.32 7.57 1o59A1 VAL 152 H 0.13 0.84 0.38 -0.55 8.24 9.04 1o59A1 VAL 152 HA 0.16 0.12 0.94 -0.75 4.13 4.60 1o59A1 VAL 152 HB 0.23 0.02 0.07 -0.04 2.12 2.40 1o59A1 VAL 152 HG13 0.09 0.06 -0.05 -0.04 0.97 1.03 1o59A1 VAL 152 HG23 0.19 -0.04 -0.17 -0.04 0.95 0.88 1o59A1 ARG 153 H 0.16 0.62 0.23 -0.55 8.46 8.92 1o59A1 ARG 153 HA 0.11 0.01 0.49 -0.75 4.34 4.20 1o59A1 ARG 153 HB2 0.12 0.11 0.12 -0.04 1.90 2.20 1o59A1 ARG 153 HB3 0.11 -0.13 0.03 -0.04 1.80 1.78 1o59A1 ARG 153 HG2 0.16 0.03 -0.03 -0.04 1.67 1.79 1o59A1 ARG 153 HG3 0.19 0.02 -0.22 -0.04 1.67 1.62 1o59A1 ARG 153 HD2 0.16 -0.15 -0.25 -0.04 3.22 2.94 1o59A1 ARG 153 HD3 0.13 0.33 0.04 -0.04 3.22 3.68 1o59A1 GLY 154 H 0.14 0.10 0.13 -0.55 8.43 8.25 1o59A1 GLY 154 HA2 0.12 0.07 0.49 -0.51 4.01 4.18 1o59A1 GLY 154 HA3 0.41 0.06 0.42 -0.51 4.01 4.39 1o59A1 ASN 155 H 0.11 0.06 -0.27 -0.55 8.53 7.89 1o59A1 ASN 155 HA 0.09 0.13 0.64 -0.75 4.76 4.86 1o59A1 ASN 155 HB2 0.04 0.02 -0.01 -0.04 2.88 2.89 1o59A1 ASN 155 HB3 0.03 0.01 0.09 -0.04 2.79 2.88 1o59A1 ASN 155 HD21 -0.24 -0.03 -0.01 -0.04 7.03 6.71 1o59A1 ASN 155 HD22 -0.05 0.03 0.00 -0.04 7.74 7.67 1o59A1 GLY 156 H 0.09 0.41 -0.47 -0.55 8.43 7.92 1o59A1 GLY 156 HA2 0.06 0.05 0.27 -0.51 4.01 3.88 1o59A1 GLY 156 HA3 0.05 0.01 0.36 -0.51 4.01 3.92 1o59A1 LEU 157 H 0.03 0.06 0.13 -0.55 8.37 8.05 1o59A1 LEU 157 HA 0.09 0.12 0.28 -0.75 4.35 4.09 1o59A1 LEU 157 HB2 -0.00 -0.07 0.14 -0.04 1.64 1.67 1o59A1 LEU 157 HB3 0.02 0.17 -0.10 -0.04 1.64 1.68 1o59A1 LEU 157 HG 0.02 -0.07 0.00 -0.04 1.64 1.55 1o59A1 LEU 157 HD13 -0.04 0.02 0.02 -0.04 0.93 0.89 1o59A1 LEU 157 HD23 0.10 -0.02 -0.25 -0.04 0.89 0.68 1o59A1 THR 158 H 0.16 0.67 0.35 -0.55 8.28 8.90 1o59A1 THR 158 HA 0.17 -0.07 0.58 -0.75 4.39 4.31 1o59A1 THR 158 HB 0.25 -0.05 0.37 -0.04 4.32 4.85 1o59A1 THR 158 HG23 0.41 -0.07 0.00 -0.04 1.22 1.52 1o59A1 LYS 159 H 0.13 0.02 0.21 -0.55 8.42 8.23 1o59A1 LYS 159 HA 0.05 0.14 0.49 -0.75 4.32 4.24 1o59A1 LYS 159 HB2 0.05 0.04 0.16 -0.04 1.87 2.07 1o59A1 LYS 159 HB3 0.06 -0.09 0.14 -0.04 1.79 1.86 1o59A1 LYS 159 HG2 0.01 -0.06 -0.00 -0.04 1.46 1.37 1o59A1 LYS 159 HG3 0.02 0.01 -0.02 -0.04 1.46 1.42 1o59A1 LYS 159 HD2 -0.01 -0.04 0.03 -0.04 1.69 1.63 1o59A1 LYS 159 HD3 -0.00 0.10 0.05 -0.04 1.68 1.79 1o59A1 LYS 159 HE2 0.01 -0.06 0.02 -0.04 2.99 2.92 1o59A1 LYS 159 HE3 0.00 -0.02 0.02 -0.04 2.99 2.95 1o59A1 GLU 160 H 0.08 -0.04 -0.01 -0.55 8.60 8.09 1o59A1 GLU 160 HA -0.14 0.10 0.50 -0.75 4.29 4.00 1o59A1 GLU 160 HB2 -0.53 0.01 -0.04 -0.04 2.09 1.49 1o59A1 GLU 160 HB3 -0.38 0.03 0.10 -0.04 1.99 1.69 1o59A1 GLU 160 HG2 -0.06 0.00 -0.00 -0.04 2.34 2.24 1o59A1 GLU 160 HG3 0.00 0.00 -0.00 -0.04 2.34 2.30 1o59A1 ARG 161 H -0.55 0.08 0.13 -0.55 8.46 7.57 1o59A1 ARG 161 HA -0.62 0.34 0.86 -0.75 4.34 4.17 1o59A1 ARG 161 HB2 -0.38 -0.04 -0.08 -0.04 1.90 1.37 1o59A1 ARG 161 HB3 -0.84 0.05 -0.11 -0.04 1.80 0.85 1o59A1 ARG 161 HG2 -0.56 -0.10 0.01 -0.04 1.67 0.99 1o59A1 ARG 161 HG3 -0.22 0.00 -0.23 -0.04 1.67 1.18 1o59A1 ARG 161 HD2 -0.11 0.05 -0.11 -0.04 3.22 3.01 1o59A1 ARG 161 HD3 -0.19 0.02 -0.06 -0.04 3.22 2.94 1o59A1 PHE 162 H -0.01 0.55 0.33 -0.55 8.34 8.66 1o59A1 PHE 162 HA 0.22 0.06 0.68 -0.75 4.62 4.82 1o59A1 PHE 162 HB2 0.08 0.06 -0.03 -0.04 3.15 3.21 1o59A1 PHE 162 HB3 0.11 0.00 0.08 -0.04 3.06 3.21 1o59A1 PHE 162 HD2 0.07 -0.08 -0.26 -0.04 7.28 6.97 1o59A1 PHE 162 HE2 0.06 -0.00 -0.11 -0.04 7.38 7.29 1o59A1 PHE 162 HZ 0.06 -0.03 -0.10 -0.04 7.32 7.21 1o59A1 THR 163 H 0.27 0.62 0.55 -0.55 8.28 9.17 1o59A1 THR 163 HA 0.05 0.24 0.93 -0.75 4.39 4.85 1o59A1 THR 163 HB -0.05 0.08 0.16 -0.04 4.32 4.47 1o59A1 THR 163 HG23 -0.18 0.16 0.11 -0.04 1.22 1.27 1o59A1 HIS 164 H 0.24 0.30 0.41 -0.55 8.41 8.81 1o59A1 HIS 164 HA 0.11 0.32 1.04 -0.75 4.63 5.34 1o59A1 HIS 164 HB2 -0.13 -0.11 0.02 -0.04 3.26 3.00 1o59A1 HIS 164 HB3 0.22 -0.00 -0.10 -0.04 3.20 3.28 1o59A1 HIS 164 HD2 0.09 -0.05 -0.15 -0.04 6.97 6.81 1o59A1 HIS 164 HE1 -0.08 0.06 -0.08 -0.04 7.75 7.61 1o59A1 ILE 165 H 0.29 0.76 0.41 -0.55 8.25 9.16 1o59A1 ILE 165 HA 0.34 0.21 1.06 -0.75 4.18 5.04 1o59A1 ILE 165 HB 0.17 -0.00 0.08 -0.04 1.89 2.10 1o59A1 ILE 165 HG12 0.11 0.01 -0.33 -0.04 1.49 1.24 1o59A1 ILE 165 HG13 0.06 -0.03 -0.16 -0.04 1.21 1.03 1o59A1 ILE 165 HG23 0.30 -0.00 -0.18 -0.04 0.93 1.00 1o59A1 ILE 165 HD13 0.13 0.05 -0.14 -0.04 0.88 0.87 1o59A1 LYS 166 H 0.04 0.80 0.29 -0.55 8.42 8.99 1o59A1 LYS 166 HA -0.16 0.30 1.04 -0.75 4.32 4.74 1o59A1 LYS 166 HB2 -2.17 -0.04 -0.13 -0.04 1.87 -0.52 1o59A1 LYS 166 HB3 -0.77 -0.10 0.01 -0.04 1.79 0.89 1o59A1 LYS 166 HG2 -0.33 0.10 -0.18 -0.04 1.46 1.02 1o59A1 LYS 166 HG3 -0.75 -0.06 -0.15 -0.04 1.46 0.45 1o59A1 LYS 166 HD2 -0.65 -0.02 -0.22 -0.04 1.69 0.76 1o59A1 LYS 166 HD3 -0.67 -0.04 -0.17 -0.04 1.68 0.76 1o59A1 LYS 166 HE2 -1.97 -0.02 -0.08 -0.04 2.99 0.89 1o59A1 LYS 166 HE3 -1.97 -0.08 -0.14 -0.04 2.99 0.76 1o59A1 LEU 167 H -0.04 0.59 0.31 -0.55 8.37 8.68 1o59A1 LEU 167 HA -0.17 0.23 1.00 -0.75 4.35 4.66 1o59A1 LEU 167 HB2 -0.35 0.01 0.02 -0.04 1.64 1.28 1o59A1 LEU 167 HB3 -0.13 -0.05 0.19 -0.04 1.64 1.61 1o59A1 LEU 167 HG -0.03 -0.01 -0.24 -0.04 1.64 1.32 1o59A1 LEU 167 HD13 -0.59 0.04 -0.01 -0.04 0.93 0.33 1o59A1 LEU 167 HD23 -0.21 -0.02 -0.09 -0.04 0.89 0.53 1o59A1 LYS 168 H -0.17 0.78 0.28 -0.55 8.42 8.76 1o59A1 LYS 168 HA -0.03 0.33 0.89 -0.75 4.32 4.75 1o59A1 LYS 168 HB2 -0.34 -0.08 0.06 -0.04 1.87 1.46 1o59A1 LYS 168 HB3 -0.91 0.07 0.00 -0.04 1.79 0.91 1o59A1 LYS 168 HG2 -0.49 0.00 -0.25 -0.04 1.46 0.68 1o59A1 LYS 168 HG3 -0.38 -0.02 -0.31 -0.04 1.46 0.71 1o59A1 LYS 168 HD2 -0.47 -0.03 -0.16 -0.04 1.69 0.99 1o59A1 LYS 168 HD3 -1.74 0.04 -0.14 -0.04 1.68 -0.19 1o59A1 LYS 168 HE2 -0.80 0.00 -0.16 -0.04 2.99 1.99 1o59A1 LYS 168 HE3 -0.49 -0.04 -0.18 -0.04 2.99 2.24 1o59A1 TYR 170 HA 0.07 -0.01 0.43 -0.75 4.56 4.29 1o59A1 TYR 170 HB2 0.08 -0.07 0.10 -0.04 3.06 3.13 1o59A1 TYR 170 HB3 0.02 0.05 -0.02 -0.04 2.98 2.99 1o59A1 TYR 170 HD2 0.02 0.16 -0.35 -0.04 7.15 6.94 1o59A1 TYR 170 HE2 -0.08 -0.04 -0.23 -0.04 6.85 6.46 1o59A1 PRO 171 HA 0.06 0.21 0.39 -0.51 4.44 4.59 1o59A1 PRO 171 HB2 0.00 -0.04 -0.08 -0.04 2.28 2.12 1o59A1 PRO 171 HB3 0.06 0.11 -0.00 -0.04 2.02 2.14 1o59A1 PRO 171 HG2 -0.02 -0.07 0.04 -0.04 2.03 1.94 1o59A1 PRO 171 HG3 0.02 0.00 0.04 -0.04 2.03 2.05 1o59A1 PRO 171 HD2 0.00 0.14 0.53 -0.04 3.68 4.31 1o59A1 PRO 171 HD3 0.08 0.10 -0.04 -0.04 3.65 3.76 1o59A1 ASP 172 H -0.09 0.52 0.10 -0.55 8.40 8.38 1o59A1 ASP 172 HA -0.25 -0.01 0.46 -0.75 4.63 4.08 1o59A1 ASP 172 HB2 -0.19 0.09 0.05 -0.04 2.71 2.61 1o59A1 ASP 172 HB3 -0.13 0.09 -0.05 -0.04 2.70 2.57 1o59A1 GLY 173 H -0.41 0.09 0.13 -0.55 8.43 7.70 1o59A1 GLY 173 HA2 -0.31 0.03 0.24 -0.51 4.01 3.46 1o59A1 GLY 173 HA3 -0.34 0.27 0.62 -0.51 4.01 4.05 1o59A1 GLY 174 H -0.54 0.37 0.24 -0.55 8.43 7.95 1o59A1 GLY 174 HA2 -0.98 0.38 1.16 -0.51 4.01 4.06 1o59A1 GLY 174 HA3 -2.14 -0.04 0.22 -0.51 4.01 1.55 1o59A1 ILE 175 H -0.49 0.79 0.28 -0.55 8.25 8.29 1o59A1 ILE 175 HA -0.01 0.05 0.62 -0.75 4.18 4.08 1o59A1 ILE 175 HB 0.20 -0.03 -0.01 -0.04 1.89 2.01 1o59A1 ILE 175 HG12 -0.02 0.03 -0.03 -0.04 1.49 1.43 1o59A1 ILE 175 HG13 -0.19 -0.07 -0.64 -0.04 1.21 0.27 1o59A1 ILE 175 HG23 0.17 -0.02 -0.26 -0.04 0.93 0.78 1o59A1 ILE 175 HD13 0.06 0.01 -0.19 -0.04 0.88 0.72 1o59A1 ALA 176 H 0.31 0.37 0.36 -0.55 8.40 8.89 1o59A1 ALA 176 HA 0.34 0.09 0.65 -0.75 4.34 4.67 1o59A1 ALA 176 HB3 0.23 0.02 0.08 -0.04 1.41 1.70 1o59A1 ARG 177 H 0.21 0.32 0.32 -0.55 8.46 8.76 1o59A1 ARG 177 HA 0.18 0.32 1.08 -0.75 4.34 5.17 1o59A1 ARG 177 HB2 0.16 -0.21 0.04 -0.04 1.90 1.85 1o59A1 ARG 177 HB3 0.14 0.06 -0.07 -0.04 1.80 1.90 1o59A1 ARG 177 HG2 0.14 -0.14 -0.34 -0.04 1.67 1.29 1o59A1 ARG 177 HG3 0.11 -0.02 -0.06 -0.04 1.67 1.66 1o59A1 ARG 177 HD2 0.10 0.08 -0.05 -0.04 3.22 3.30 1o59A1 ARG 177 HD3 0.13 0.17 0.03 -0.04 3.22 3.50 1o59A1 PHE 178 H 0.22 0.89 0.27 -0.55 8.34 9.16 1o59A1 PHE 178 HA 0.13 0.32 0.98 -0.75 4.62 5.29 1o59A1 PHE 178 HB2 0.12 -0.02 -0.09 -0.04 3.15 3.11 1o59A1 PHE 178 HB3 0.05 -0.03 0.03 -0.04 3.06 3.07 1o59A1 PHE 178 HD2 0.11 0.11 -0.04 -0.04 7.28 7.43 1o59A1 PHE 178 HE2 0.20 -0.02 -0.18 -0.04 7.38 7.34 1o59A1 PHE 178 HZ 0.13 -0.01 -0.17 -0.04 7.32 7.23 1o59A1 ARG 179 H 0.13 0.58 0.29 -0.55 8.46 8.91 1o59A1 ARG 179 HA -0.34 0.16 0.87 -0.75 4.34 4.27 1o59A1 ARG 179 HB2 -0.22 -0.14 0.10 -0.04 1.90 1.59 1o59A1 ARG 179 HB3 -0.49 -0.01 -0.01 -0.04 1.80 1.25 1o59A1 ARG 179 HG2 0.07 -0.01 -0.09 -0.04 1.67 1.59 1o59A1 ARG 179 HG3 0.09 -0.01 -0.07 -0.04 1.67 1.64 1o59A1 ARG 179 HD2 -0.05 -0.04 -0.06 -0.04 3.22 3.04 1o59A1 ARG 179 HD3 -0.02 0.10 -0.43 -0.04 3.22 2.83 1o59A1 LEU 180 H -0.52 0.11 0.08 -0.55 8.37 7.49 1o59A1 LEU 180 HA -0.30 0.23 1.06 -0.75 4.35 4.59 1o59A1 LEU 180 HB2 -0.60 0.01 -0.18 -0.04 1.64 0.83 1o59A1 LEU 180 HB3 -0.26 -0.06 0.02 -0.04 1.64 1.30 1o59A1 LEU 180 HG 0.02 0.11 -0.15 -0.04 1.64 1.58 1o59A1 LEU 180 HD13 0.34 0.01 -0.08 -0.04 0.93 1.16 1o59A1 LEU 180 HD23 0.10 -0.01 -0.16 -0.04 0.89 0.77 1o59A1 TYR 181 H -0.13 0.62 0.16 -0.55 8.29 8.39 1o59A1 TYR 181 HA -0.04 0.35 0.64 -0.75 4.56 4.75 1o59A1 TYR 181 HB2 -0.08 -0.07 -0.09 -0.04 3.06 2.77 1o59A1 TYR 181 HB3 -0.08 0.07 -0.23 -0.04 2.98 2.70 1o59A1 TYR 181 HD2 -0.05 -0.00 -0.54 -0.04 7.15 6.52 1o59A1 TYR 181 HE2 0.07 -0.01 -0.20 -0.04 6.85 6.67 1o59A1 GLY 182 H 0.09 0.58 0.43 -0.55 8.43 8.98 1o59A1 GLY 182 HA2 0.10 0.13 0.93 -0.51 4.01 4.66 1o59A1 GLY 182 HA3 0.08 -0.00 0.20 -0.51 4.01 3.78 1o59A1 ARG 183 H 0.11 0.54 0.31 -0.55 8.46 8.86 1o59A1 ARG 183 HA 0.03 0.25 0.72 -0.75 4.34 4.59 1o59A1 ARG 183 HB2 0.04 -0.00 0.15 -0.04 1.90 2.05 1o59A1 ARG 183 HB3 0.09 -0.14 0.17 -0.04 1.80 1.88 1o59A1 ARG 183 HG2 0.01 0.00 0.11 -0.04 1.67 1.74 1o59A1 ARG 183 HG3 -0.00 0.00 0.04 -0.04 1.67 1.67 1o59A1 ARG 183 HD2 0.03 -0.12 -0.07 -0.04 3.22 3.02 1o59A1 ARG 183 HD3 0.02 0.09 -0.00 -0.04 3.22 3.30 1o59A1 VAL 184 H 0.02 0.23 0.25 -0.55 8.24 8.19 1o59A1 VAL 184 HA 0.02 0.06 0.55 -0.75 4.13 4.02 1o59A1 VAL 184 HB -0.02 0.00 0.16 -0.04 2.12 2.22 1o59A1 VAL 184 HG13 -0.03 -0.03 -0.13 -0.04 0.97 0.74 1o59A1 VAL 184 HG23 -0.03 0.02 0.07 -0.04 0.95 0.97 1o59A1 VAL 185 H 0.02 0.54 0.28 -0.55 8.24 8.53 1o59A1 VAL 185 HA 0.04 0.19 0.83 -0.75 4.13 4.43 1o59A1 VAL 185 HB 0.01 -0.08 0.02 -0.04 2.12 2.03 1o59A1 VAL 185 HG13 0.02 0.04 -0.13 -0.04 0.97 0.87 1o59A1 VAL 185 HG23 0.01 -0.02 -0.12 -0.04 0.95 0.78 1o59A1 PRO 186 HA 0.01 0.21 0.56 -0.51 4.44 4.71 1o59A1 PRO 186 HB2 0.02 -0.06 -0.01 -0.04 2.28 2.18 1o59A1 PRO 186 HB3 0.00 0.07 0.07 -0.04 2.02 2.12 1o59A1 PRO 186 HG2 0.02 -0.04 0.06 -0.04 2.03 2.02 1o59A1 PRO 186 HG3 0.01 0.13 0.06 -0.04 2.03 2.18 1o59A1 PRO 186 HD2 0.02 0.02 0.23 -0.04 3.68 3.91 1o59A1 PRO 186 HD3 0.01 0.29 0.03 -0.04 3.65 3.94 1o59A1 PRO 187 HA 0.04 0.17 0.40 -0.51 4.44 4.53 1o59A1 PRO 187 HB2 0.05 -0.03 0.10 -0.04 2.28 2.36 1o59A1 PRO 187 HB3 0.04 0.05 0.09 -0.04 2.02 2.16 1o59A1 PRO 187 HG2 0.06 -0.02 0.10 -0.04 2.03 2.13 1o59A1 PRO 187 HG3 0.05 0.02 0.12 -0.04 2.03 2.17 1o59A1 PRO 187 HD2 0.03 0.07 0.22 -0.04 3.68 3.96 1o59A1 PRO 187 HD3 0.02 0.26 0.31 -0.04 3.65 4.20 1o59A1 HIS 194 HA 0.01 -0.12 0.23 -0.75 4.63 3.99 1o59A1 HIS 194 HB2 -0.01 -0.03 0.05 -0.04 3.26 3.23 1o59A1 HIS 194 HB3 0.01 0.00 0.15 -0.04 3.20 3.33 1o59A1 HIS 194 HD2 0.07 -0.14 0.02 -0.04 6.97 6.87 1o59A1 HIS 194 HE1 0.07 -0.01 -0.03 -0.04 7.75 7.74 1o59A1 ILE 195 H 0.24 0.02 0.09 -0.55 8.25 8.05 1o59A1 ILE 195 HA 0.21 0.22 0.25 -0.75 4.18 4.11 1o59A1 ILE 195 HB 0.38 -0.02 0.05 -0.04 1.89 2.26 1o59A1 ILE 195 HG12 0.15 -0.02 0.04 -0.04 1.49 1.62 1o59A1 ILE 195 HG13 0.23 0.02 0.02 -0.04 1.21 1.44 1o59A1 ILE 195 HG23 0.30 -0.02 -0.09 -0.04 0.93 1.08 1o59A1 ILE 195 HD13 0.10 -0.02 -0.10 -0.04 0.88 0.83 1o59A1 ILE 196 H 0.17 0.71 0.50 -0.55 8.25 9.08 1o59A1 ILE 196 HA 0.12 0.12 0.83 -0.75 4.18 4.50 1o59A1 ILE 196 HB -0.09 -0.03 0.07 -0.04 1.89 1.80 1o59A1 ILE 196 HG12 0.03 0.07 0.08 -0.04 1.49 1.63 1o59A1 ILE 196 HG13 -0.04 -0.12 -0.23 -0.04 1.21 0.79 1o59A1 ILE 196 HG23 -0.12 0.05 -0.17 -0.04 0.93 0.65 1o59A1 ILE 196 HD13 -0.01 0.02 -0.11 -0.04 0.88 0.74 1o59A1 ASP 197 H -0.68 0.21 0.14 -0.55 8.40 7.52 1o59A1 ASP 197 HA -0.93 0.15 0.80 -0.75 4.63 3.90 1o59A1 ASP 197 HB2 -1.85 0.04 0.09 -0.04 2.71 0.96 1o59A1 ASP 197 HB3 -0.63 0.05 0.24 -0.04 2.70 2.31 1o59A1 LEU 198 H -0.20 0.70 0.31 -0.55 8.37 8.63 1o59A1 LEU 198 HA -0.07 0.12 0.33 -0.75 4.35 3.97 1o59A1 LEU 198 HB2 -0.06 0.02 0.09 -0.04 1.64 1.64 1o59A1 LEU 198 HB3 -0.05 0.01 0.08 -0.04 1.64 1.64 1o59A1 LEU 198 HG -0.03 0.07 -0.01 -0.04 1.64 1.63 1o59A1 LEU 198 HD13 -0.02 -0.01 -0.09 -0.04 0.93 0.77 1o59A1 LEU 198 HD23 -0.00 -0.01 -0.12 -0.04 0.89 0.72 1o59A1 ALA 199 H -0.15 -0.07 -0.30 -0.55 8.40 7.33 1o59A1 ALA 199 HA -0.04 0.21 0.71 -0.75 4.34 4.46 1o59A1 ALA 199 HB3 -0.04 -0.03 -0.03 -0.04 1.41 1.27 1o59A1 TYR 200 H -0.01 0.36 -0.26 -0.55 8.29 7.83 1o59A1 TYR 200 HA -0.08 0.24 0.61 -0.75 4.56 4.57 1o59A1 TYR 200 HB2 -0.23 -0.11 0.16 -0.04 3.06 2.83 1o59A1 TYR 200 HB3 -0.14 0.02 0.13 -0.04 2.98 2.95 1o59A1 TYR 200 HD2 -0.06 0.13 0.02 -0.04 7.15 7.20 1o59A1 TYR 200 HE2 0.00 0.05 -0.14 -0.04 6.85 6.71 1o59A1 VAL 201 H -0.18 0.62 0.34 -0.55 8.24 8.47 1o59A1 VAL 201 HA -0.11 0.30 0.34 -0.75 4.13 3.92 1o59A1 VAL 201 HB -0.09 0.02 0.09 -0.04 2.12 2.11 1o59A1 VAL 201 HG13 -0.26 0.03 0.07 -0.04 0.97 0.77 1o59A1 VAL 201 HG23 -0.08 0.02 0.01 -0.04 0.95 0.85 1o59A1 CYS 202 H -1.01 0.09 -0.08 -0.55 8.50 6.95 1o59A1 CYS 202 HA -0.20 0.13 0.54 -0.75 4.58 4.30 1o59A1 CYS 202 HB2 -0.41 -0.05 0.03 -0.04 2.97 2.50 1o59A1 CYS 202 HB3 -0.13 -0.02 0.21 -0.04 2.97 3.00 1o59A1 ASN 203 H -0.13 0.34 -0.53 -0.55 8.53 7.67 1o59A1 ASN 203 HA -0.01 0.16 0.93 -0.75 4.76 5.08 1o59A1 ASN 203 HB2 0.01 0.11 0.11 -0.04 2.88 3.07 1o59A1 ASN 203 HB3 -0.01 -0.03 0.16 -0.04 2.79 2.87 1o59A1 ASN 203 HD21 0.01 -0.13 0.06 -0.04 7.03 6.92 1o59A1 ASN 203 HD22 -0.04 0.45 0.13 -0.04 7.74 8.24 1o59A1 GLY 204 H -0.07 0.37 -0.23 -0.55 8.43 7.94 1o59A1 GLY 204 HA2 -0.03 0.00 0.33 -0.51 4.01 3.80 1o59A1 GLY 204 HA3 -0.03 0.17 0.62 -0.51 4.01 4.26 1o59A1 ALA 205 H -0.05 0.20 -0.15 -0.55 8.40 7.85 1o59A1 ALA 205 HA -0.05 0.29 0.51 -0.75 4.34 4.32 1o59A1 ALA 205 HB3 -0.04 -0.02 -0.24 -0.04 1.41 1.07 1o59A1 VAL 206 H -0.04 0.59 0.24 -0.55 8.24 8.48 1o59A1 VAL 206 HA -0.03 0.02 0.70 -0.75 4.13 4.07 1o59A1 VAL 206 HB -0.03 0.20 -0.39 -0.04 2.12 1.86 1o59A1 VAL 206 HG13 -0.02 -0.01 -0.06 -0.04 0.97 0.84 1o59A1 VAL 206 HG23 -0.03 -0.02 -0.22 -0.04 0.95 0.65 1o59A1 ALA 207 H -0.03 0.13 0.09 -0.55 8.40 8.05 1o59A1 ALA 207 HA -0.01 0.10 0.77 -0.75 4.34 4.45 1o59A1 ALA 207 HB3 -0.07 -0.01 -0.10 -0.04 1.41 1.19 1o59A1 LEU 208 H 0.06 0.66 0.41 -0.55 8.37 8.95 1o59A1 LEU 208 HA 0.03 0.20 0.62 -0.75 4.35 4.44 1o59A1 LEU 208 HB2 0.13 -0.01 0.03 -0.04 1.64 1.75 1o59A1 LEU 208 HB3 0.08 -0.05 -0.11 -0.04 1.64 1.52 1o59A1 LEU 208 HG 0.07 0.05 -0.11 -0.04 1.64 1.61 1o59A1 LEU 208 HD13 0.19 -0.00 -0.06 -0.04 0.93 1.02 1o59A1 LEU 208 HD23 0.02 0.03 -0.20 -0.04 0.89 0.69 1o59A1 LYS 209 H 0.11 0.29 0.29 -0.55 8.42 8.56 1o59A1 LYS 209 HA -0.06 0.17 0.78 -0.75 4.32 4.46 1o59A1 LYS 209 HB2 0.21 -0.06 -0.04 -0.04 1.87 1.93 1o59A1 LYS 209 HB3 0.33 0.01 -0.05 -0.04 1.79 2.04 1o59A1 LYS 209 HG2 -0.00 0.17 0.05 -0.04 1.46 1.64 1o59A1 LYS 209 HG3 0.06 -0.00 -0.27 -0.04 1.46 1.21 1o59A1 LYS 209 HD2 0.08 -0.02 -0.07 -0.04 1.69 1.64 1o59A1 LYS 209 HD3 0.12 -0.01 -0.03 -0.04 1.68 1.72 1o59A1 LYS 209 HE2 -0.02 0.03 0.01 -0.04 2.99 2.97 1o59A1 LYS 209 HE3 0.01 0.02 -0.03 -0.04 2.99 2.95 1o59A1 TYR 210 H -0.50 0.34 0.18 -0.55 8.29 7.76 1o59A1 TYR 210 HA -0.42 0.25 0.95 -0.75 4.56 4.59 1o59A1 TYR 210 HB2 -0.18 0.04 0.07 -0.04 3.06 2.94 1o59A1 TYR 210 HB3 -0.31 0.00 -0.10 -0.04 2.98 2.53 1o59A1 TYR 210 HD2 -0.09 -0.03 -0.49 -0.04 7.15 6.50 1o59A1 TYR 210 HE2 -0.02 0.03 -0.11 -0.04 6.85 6.70 1o59A1 SER 211 H -0.95 0.50 0.35 -0.55 8.46 7.81 1o59A1 SER 211 HA -0.84 0.10 0.68 -0.75 4.49 3.68 1o59A1 SER 211 HB2 -0.42 0.08 0.18 -0.04 3.95 3.74 1o59A1 SER 211 HB3 -1.81 0.02 0.20 -0.04 3.93 2.30 1o59A1 ASP 212 H 0.19 0.30 0.10 -0.55 8.40 8.44 1o59A1 ASP 212 HA 0.18 0.13 0.64 -0.75 4.63 4.82 1o59A1 ASP 212 HB2 0.04 0.12 -0.31 -0.04 2.71 2.52 1o59A1 ASP 212 HB3 0.05 -0.06 -0.03 -0.04 2.70 2.61 1o59A1 GLN 213 H 0.12 0.28 0.02 -0.55 8.47 8.35 1o59A1 GLN 213 HA 0.21 0.13 0.51 -0.75 4.36 4.46 1o59A1 GLN 213 HB2 -0.12 -0.02 0.17 -0.04 2.15 2.14 1o59A1 GLN 213 HB3 -0.02 0.27 -0.02 -0.04 2.02 2.21 1o59A1 GLN 213 HG2 -0.15 -0.03 0.04 -0.04 2.40 2.22 1o59A1 GLN 213 HG3 -1.18 -0.04 -0.25 -0.04 2.39 0.88 1o59A1 GLN 213 HE21 -0.18 0.01 0.00 -0.04 6.97 6.76 1o59A1 GLN 213 HE22 -0.23 0.03 0.02 -0.04 7.69 7.48 1o59A1 HIS 214 H 0.10 0.58 0.29 -0.55 8.41 8.83 1o59A1 HIS 214 HA 0.05 0.11 0.79 -0.75 4.63 4.82 1o59A1 HIS 214 HB2 -0.01 -0.17 0.03 -0.04 3.26 3.08 1o59A1 HIS 214 HB3 -0.00 0.03 -0.09 -0.04 3.20 3.10 1o59A1 HIS 214 HD2 0.03 0.01 0.04 -0.04 6.97 7.00 1o59A1 HIS 214 HE1 -0.08 -0.01 -0.08 -0.04 7.75 7.54 1o59A1 PHE 215 H 0.16 0.34 0.09 -0.55 8.34 8.39 1o59A1 PHE 215 HA -0.12 0.17 0.81 -0.75 4.62 4.72 1o59A1 PHE 215 HB2 -0.17 0.00 -0.15 -0.04 3.15 2.78 1o59A1 PHE 215 HB3 0.03 -0.04 -0.05 -0.04 3.06 2.96 1o59A1 PHE 215 HD2 -0.02 -0.01 -0.06 -0.04 7.28 7.15 1o59A1 PHE 215 HE2 -0.01 0.02 0.01 -0.04 7.38 7.36 1o59A1 PHE 215 HZ -0.00 -0.01 0.01 -0.04 7.32 7.28 1o59A1 GLY 216 H -0.53 0.09 0.12 -0.55 8.43 7.55 1o59A1 GLY 216 HA2 -0.16 0.10 0.36 -0.51 4.01 3.81 1o59A1 GLY 216 HA3 -0.02 0.35 0.63 -0.51 4.01 4.45 1o59A1 SER 217 H 0.09 0.63 0.30 -0.55 8.46 8.94 1o59A1 SER 217 HA 0.02 0.10 0.63 -0.75 4.49 4.49 1o59A1 SER 217 HB2 -0.09 -0.13 0.06 -0.04 3.95 3.75 1o59A1 SER 217 HB3 -0.04 0.18 -0.15 -0.04 3.93 3.88 1o59A1 VAL 218 H -0.30 0.20 0.11 -0.55 8.24 7.69 1o59A1 VAL 218 HA -0.54 0.12 0.30 -0.75 4.13 3.25 1o59A1 VAL 218 HB -0.42 0.03 -0.03 -0.04 2.12 1.66 1o59A1 VAL 218 HG13 -1.29 0.02 0.00 -0.04 0.97 -0.34 1o59A1 VAL 218 HG23 -0.18 0.02 -0.11 -0.04 0.95 0.64 1o59A1 ASP 219 H -0.09 0.07 -0.23 -0.55 8.40 7.60 1o59A1 ASP 219 HA -0.05 0.08 0.47 -0.75 4.63 4.39 1o59A1 ASP 219 HB2 -0.01 0.07 0.09 -0.04 2.71 2.82 1o59A1 ASP 219 HB3 -0.03 0.03 0.09 -0.04 2.70 2.76 1o59A1 ASN 220 H 0.01 0.33 -0.51 -0.55 8.53 7.82 1o59A1 ASN 220 HA 0.05 0.06 0.43 -0.75 4.76 4.54 1o59A1 ASN 220 HB2 0.12 0.15 -0.16 -0.04 2.88 2.94 1o59A1 ASN 220 HB3 0.11 0.32 -0.03 -0.04 2.79 3.15 1o59A1 ASN 220 HD21 -0.01 -0.04 0.08 -0.04 7.03 7.03 1o59A1 ASN 220 HD22 0.06 0.45 0.03 -0.04 7.74 8.24 1o59A1 LEU 221 H 0.01 0.40 -0.42 -0.55 8.37 7.82 1o59A1 LEU 221 HA 0.12 0.30 0.44 -0.75 4.35 4.45 1o59A1 LEU 221 HB2 -0.03 0.13 0.06 -0.04 1.64 1.75 1o59A1 LEU 221 HB3 0.04 -0.16 0.00 -0.04 1.64 1.48 1o59A1 LEU 221 HG 0.03 0.00 0.01 -0.04 1.64 1.64 1o59A1 LEU 221 HD13 -0.29 -0.03 -0.04 -0.04 0.93 0.53 1o59A1 LEU 221 HD23 0.27 0.02 -0.29 -0.04 0.89 0.85 1o59A1 LEU 222 H 0.04 0.31 -0.42 -0.55 8.37 7.75 1o59A1 LEU 222 HA 0.08 0.18 0.71 -0.75 4.35 4.57 1o59A1 LEU 222 HB2 -0.00 0.03 0.06 -0.04 1.64 1.69 1o59A1 LEU 222 HB3 0.02 0.10 0.20 -0.04 1.64 1.92 1o59A1 LEU 222 HG -0.01 -0.05 -0.07 -0.04 1.64 1.47 1o59A1 LEU 222 HD13 -0.02 -0.01 -0.26 -0.04 0.93 0.59 1o59A1 LEU 222 HD23 0.00 0.06 -0.20 -0.04 0.89 0.71 1o59A1 LEU 223 H 0.09 0.35 -0.21 -0.55 8.37 8.05 1o59A1 LEU 223 HA 0.06 0.02 0.48 -0.75 4.35 4.15 1o59A1 LEU 223 HB2 0.09 0.12 0.11 -0.04 1.64 1.92 1o59A1 LEU 223 HB3 0.08 0.17 0.19 -0.04 1.64 2.03 1o59A1 LEU 223 HG 0.05 -0.05 0.12 -0.04 1.64 1.72 1o59A1 LEU 223 HD13 0.05 0.03 0.07 -0.04 0.93 1.04 1o59A1 LEU 223 HD23 0.01 -0.01 -0.10 -0.04 0.89 0.75 1o59A1 PRO 224 HA 0.29 -0.02 0.60 -0.51 4.44 4.80 1o59A1 PRO 224 HB2 0.13 -0.01 -0.04 -0.04 2.28 2.32 1o59A1 PRO 224 HB3 0.25 -0.03 0.13 -0.04 2.02 2.33 1o59A1 PRO 224 HG2 0.07 0.08 0.01 -0.04 2.03 2.14 1o59A1 PRO 224 HG3 0.09 0.03 0.12 -0.04 2.03 2.24 1o59A1 PRO 224 HD2 0.07 0.29 0.35 -0.04 3.68 4.35 1o59A1 PRO 224 HD3 0.02 0.07 0.33 -0.04 3.65 4.03 1o59A1 GLY 225 H 0.09 0.02 0.15 -0.55 8.43 8.14 1o59A1 GLY 225 HA2 0.07 -0.04 0.35 -0.51 4.01 3.88 1o59A1 GLY 225 HA3 0.09 0.05 0.37 -0.51 4.01 4.01 1o59A1 ARG 226 H 0.08 0.10 0.14 -0.55 8.46 8.23 1o59A1 ARG 226 HA 0.09 0.21 0.75 -0.75 4.34 4.64 1o59A1 ARG 226 HB2 0.07 0.04 0.04 -0.04 1.90 2.01 1o59A1 ARG 226 HB3 0.03 -0.05 0.07 -0.04 1.80 1.80 1o59A1 ARG 226 HG2 0.05 0.04 -0.08 -0.04 1.67 1.64 1o59A1 ARG 226 HG3 0.05 -0.05 -0.06 -0.04 1.67 1.57 1o59A1 ARG 226 HD2 0.01 -0.02 -0.04 -0.04 3.22 3.13 1o59A1 ARG 226 HD3 -0.00 0.03 -0.02 -0.04 3.22 3.19 1o59A1 GLY 227 H 0.11 -0.03 -0.08 -0.55 8.43 7.88 1o59A1 GLY 227 HA2 0.12 0.06 0.27 -0.51 4.01 3.95 1o59A1 GLY 227 HA3 0.14 0.16 0.36 -0.51 4.01 4.16 1o59A1 HIS 228 H 0.10 0.06 0.12 -0.55 8.41 8.15 1o59A1 HIS 228 HA -0.05 0.19 0.74 -0.75 4.63 4.76 1o59A1 HIS 228 HB2 -0.02 0.01 -0.09 -0.04 3.26 3.13 1o59A1 HIS 228 HB3 -0.05 -0.01 0.03 -0.04 3.20 3.13 1o59A1 HIS 228 HD2 -0.06 -0.01 -0.17 -0.04 6.97 6.68 1o59A1 HIS 228 HE1 -0.03 -0.02 -0.02 -0.04 7.75 7.64 1o59A1 ASP 229 H -0.15 0.13 -0.00 -0.55 8.40 7.83 1o59A1 ASP 229 HA -0.86 0.14 0.32 -0.75 4.63 3.48 1o59A1 ASP 229 HB2 -0.22 0.02 0.11 -0.04 2.71 2.58 1o59A1 ASP 229 HB3 -0.48 0.13 -0.11 -0.04 2.70 2.19 1o59A1 SER 231 HA -0.64 -0.05 0.21 -0.75 4.49 3.25 1o59A1 SER 231 HB2 -0.28 0.01 0.06 -0.04 3.95 3.70 1o59A1 SER 231 HB3 0.05 -0.02 0.06 -0.04 3.93 3.98 1o59A1 ASP 232 H -0.00 0.31 0.39 -0.55 8.40 8.56 1o59A1 ASP 232 HA 0.00 0.22 1.08 -0.75 4.63 5.18 1o59A1 ASP 232 HB2 0.06 0.09 0.25 -0.04 2.71 3.06 1o59A1 ASP 232 HB3 0.03 -0.04 -0.01 -0.04 2.70 2.64 1o59A1 GLY 233 H 0.18 0.02 -0.23 -0.55 8.43 7.86 1o59A1 GLY 233 HA2 0.23 0.38 0.81 -0.51 4.01 4.92 1o59A1 GLY 233 HA3 0.45 -0.01 0.31 -0.51 4.01 4.25 1o59A1 TRP 234 H 0.29 0.67 0.20 -0.55 7.97 8.59 1o59A1 TRP 234 HA -0.01 0.06 0.74 -0.75 4.62 4.66 1o59A1 TRP 234 HB2 -0.02 0.08 -0.18 -0.04 3.23 3.08 1o59A1 TRP 234 HB3 -0.03 0.08 0.11 -0.04 3.23 3.35 1o59A1 TRP 234 HD1 -0.11 -0.03 -0.17 -0.04 7.22 6.86 1o59A1 TRP 234 HE1 -0.14 0.39 0.17 -0.04 10.20 10.58 1o59A1 TRP 234 HE3 -0.03 0.04 -0.10 -0.04 7.59 7.46 1o59A1 TRP 234 HZ2 -0.11 -0.07 0.01 -0.04 7.44 7.24 1o59A1 TRP 234 HZ3 0.01 0.01 -0.23 -0.04 7.13 6.87 1o59A1 TRP 234 HH2 -0.00 -0.09 -0.36 -0.04 7.19 6.70 1o59A1 GLU 235 H -0.09 0.50 0.17 -0.55 8.60 8.63 1o59A1 GLU 235 HA -0.58 0.31 0.96 -0.75 4.29 4.22 1o59A1 GLU 235 HB2 0.17 -0.01 -0.33 -0.04 2.09 1.87 1o59A1 GLU 235 HB3 0.19 -0.09 -0.02 -0.04 1.99 2.03 1o59A1 GLU 235 HG2 -0.14 0.10 -0.10 -0.04 2.34 2.16 1o59A1 GLU 235 HG3 0.06 -0.04 -0.19 -0.04 2.34 2.12 1o59A1 THR 236 H -0.42 0.62 0.25 -0.55 8.28 8.18 1o59A1 THR 236 HA -0.09 -0.04 0.87 -0.75 4.39 4.38 1o59A1 THR 236 HB -0.13 -0.02 0.08 -0.04 4.32 4.21 1o59A1 THR 236 HG23 -0.59 0.03 -0.19 -0.04 1.22 0.43 1o59A1 LYS 237 H -0.09 0.08 0.08 -0.55 8.42 7.93 1o59A1 LYS 237 HA -0.27 0.06 0.38 -0.75 4.32 3.73 1o59A1 LYS 237 HB2 -0.15 -0.03 -0.01 -0.04 1.87 1.63 1o59A1 LYS 237 HB3 -0.23 0.15 -0.09 -0.04 1.79 1.59 1o59A1 LYS 237 HG2 -0.57 0.04 0.02 -0.04 1.46 0.91 1o59A1 LYS 237 HG3 -0.49 -0.07 0.01 -0.04 1.46 0.87 1o59A1 LYS 237 HD2 -0.08 -0.01 -0.01 -0.04 1.69 1.55 1o59A1 LYS 237 HD3 -0.12 0.03 -0.00 -0.04 1.68 1.55 1o59A1 LYS 237 HE2 0.17 0.05 0.01 -0.04 2.99 3.18 1o59A1 LYS 237 HE3 0.09 -0.09 -0.05 -0.04 2.99 2.89 1o59A1 ARG 238 H -0.18 0.10 0.10 -0.55 8.46 7.94 1o59A1 ARG 238 HA -0.14 0.07 0.59 -0.75 4.34 4.11 1o59A1 ARG 238 HB2 -0.11 -0.02 0.14 -0.04 1.90 1.86 1o59A1 ARG 238 HB3 -0.12 -0.02 0.11 -0.04 1.80 1.73 1o59A1 ARG 238 HG2 -0.10 0.11 -0.05 -0.04 1.67 1.58 1o59A1 ARG 238 HG3 -0.10 0.02 0.03 -0.04 1.67 1.58 1o59A1 ARG 238 HD2 -0.08 -0.04 -0.02 -0.04 3.22 3.04 1o59A1 ARG 238 HD3 -0.07 0.02 -0.02 -0.04 3.22 3.10 1o59A1 SER 239 H -0.19 0.17 0.08 -0.55 8.46 7.96 1o59A1 SER 239 HA -0.25 0.11 0.72 -0.75 4.49 4.32 1o59A1 SER 239 HB2 -0.94 -0.10 0.05 -0.04 3.95 2.93 1o59A1 SER 239 HB3 -0.68 0.09 -0.06 -0.04 3.93 3.23 1o59A1 ARG 240 H -0.16 -0.03 0.16 -0.55 8.46 7.87 1o59A1 ARG 240 HA -0.07 0.26 0.95 -0.75 4.34 4.73 1o59A1 ARG 240 HB2 -0.06 -0.03 -0.02 -0.04 1.90 1.75 1o59A1 ARG 240 HB3 -0.04 0.00 -0.00 -0.04 1.80 1.72 1o59A1 ARG 240 HG2 -0.09 -0.02 -0.38 -0.04 1.67 1.14 1o59A1 ARG 240 HG3 -0.06 -0.01 -0.11 -0.04 1.67 1.46 1o59A1 ARG 240 HD2 -0.05 -0.03 -0.05 -0.04 3.22 3.05 1o59A1 ARG 240 HD3 -0.08 0.26 -0.28 -0.04 3.22 3.08 1o59A1 GLN 241 H -0.06 -0.09 0.13 -0.55 8.47 7.90 1o59A1 GLN 241 HA 0.01 0.11 0.45 -0.75 4.36 4.18 1o59A1 GLN 241 HB2 0.11 -0.00 0.02 -0.04 2.15 2.24 1o59A1 GLN 241 HB3 0.04 0.08 0.07 -0.04 2.02 2.18 1o59A1 GLN 241 HG2 0.04 0.05 0.05 -0.04 2.40 2.50 1o59A1 GLN 241 HG3 -0.00 -0.04 0.08 -0.04 2.39 2.38 1o59A1 GLN 241 HE21 0.21 0.03 0.03 -0.04 6.97 7.20 1o59A1 GLN 241 HE22 0.13 0.05 0.03 -0.04 7.69 7.85 1o59A1 PRO 242 HA 0.03 0.04 0.52 -0.51 4.44 4.52 1o59A1 PRO 242 HB2 0.02 0.02 0.03 -0.04 2.28 2.30 1o59A1 PRO 242 HB3 0.02 0.02 0.10 -0.04 2.02 2.12 1o59A1 PRO 242 HG2 0.01 0.01 0.10 -0.04 2.03 2.12 1o59A1 PRO 242 HG3 0.01 0.07 0.13 -0.04 2.03 2.20 1o59A1 PRO 242 HD2 0.02 0.05 0.24 -0.04 3.68 3.95 1o59A1 PRO 242 HD3 0.01 0.23 0.30 -0.04 3.65 4.15 1o59A1 GLY 243 H 0.04 0.14 0.16 -0.55 8.43 8.22 1o59A1 GLY 243 HA2 0.03 0.00 0.29 -0.51 4.01 3.82 1o59A1 GLY 243 HA3 0.03 0.06 0.43 -0.51 4.01 4.02 1o59A1 HIS 244 H 0.14 0.31 -0.40 -0.55 8.41 7.91 1o59A1 HIS 244 HA 0.03 -0.00 0.45 -0.75 4.63 4.36 1o59A1 HIS 244 HB2 0.00 0.01 0.06 -0.04 3.26 3.30 1o59A1 HIS 244 HB3 -0.00 -0.05 0.03 -0.04 3.20 3.13 1o59A1 HIS 244 HD2 0.01 -0.06 0.04 -0.04 6.97 6.91 1o59A1 HIS 244 HE1 -0.05 -0.10 -0.12 -0.04 7.75 7.44 1o59A1 THR 245 H -0.36 0.15 0.26 -0.55 8.28 7.78 1o59A1 THR 245 HA 0.04 0.20 0.48 -0.75 4.39 4.36 1o59A1 THR 245 HB 0.09 0.11 0.12 -0.04 4.32 4.60 1o59A1 THR 245 HG23 0.02 0.01 -0.18 -0.04 1.22 1.03 1o59A1 ASP 246 H 0.07 0.65 0.25 -0.55 8.40 8.83 1o59A1 ASP 246 HA -0.10 0.10 0.83 -0.75 4.63 4.70 1o59A1 ASP 246 HB2 -0.04 0.00 0.04 -0.04 2.71 2.67 1o59A1 ASP 246 HB3 0.04 -0.02 0.09 -0.04 2.70 2.77 1o59A1 TRP 247 H -0.17 0.12 0.31 -0.55 7.97 7.68 1o59A1 TRP 247 HA 0.22 0.34 0.88 -0.75 4.62 5.30 1o59A1 TRP 247 HB2 -0.10 0.02 -0.05 -0.04 3.23 3.06 1o59A1 TRP 247 HB3 -0.04 0.08 -0.13 -0.04 3.23 3.10 1o59A1 TRP 247 HD1 -0.07 0.05 -0.34 -0.04 7.22 6.82 1o59A1 TRP 247 HE1 -0.06 0.05 -0.07 -0.04 10.20 10.07 1o59A1 TRP 247 HE3 -0.09 0.05 -0.60 -0.04 7.59 6.91 1o59A1 TRP 247 HZ2 -0.05 0.04 -0.10 -0.04 7.44 7.29 1o59A1 TRP 247 HZ3 -0.07 -0.05 -0.48 -0.04 7.13 6.49 1o59A1 TRP 247 HH2 -0.08 0.04 -0.19 -0.04 7.19 6.93 1o59A1 ALA 248 H 0.22 0.61 0.34 -0.55 8.40 9.02 1o59A1 ALA 248 HA -0.02 0.23 1.05 -0.75 4.34 4.84 1o59A1 ALA 248 HB3 -0.77 0.00 0.01 -0.04 1.41 0.61 1o59A1 VAL 249 H 0.20 0.66 0.35 -0.55 8.24 8.90 1o59A1 VAL 249 HA 0.09 0.28 1.17 -0.75 4.13 4.92 1o59A1 VAL 249 HB 0.19 -0.11 0.16 -0.04 2.12 2.32 1o59A1 VAL 249 HG13 0.36 0.02 -0.22 -0.04 0.97 1.08 1o59A1 VAL 249 HG23 -0.01 -0.01 -0.13 -0.04 0.95 0.77 1o59A1 ILE 250 H 0.16 0.80 0.38 -0.55 8.25 9.04 1o59A1 ILE 250 HA 0.05 0.19 1.09 -0.75 4.18 4.76 1o59A1 ILE 250 HB 0.05 -0.06 0.06 -0.04 1.89 1.90 1o59A1 ILE 250 HG12 -0.03 0.07 -0.18 -0.04 1.49 1.31 1o59A1 ILE 250 HG13 -0.03 -0.03 -0.56 -0.04 1.21 0.55 1o59A1 ILE 250 HG23 -0.01 0.01 -0.31 -0.04 0.93 0.58 1o59A1 ILE 250 HD13 -0.04 0.00 -0.17 -0.04 0.88 0.63 1o59A1 GLN 251 H 0.03 0.53 0.32 -0.55 8.47 8.79 1o59A1 GLN 251 HA -0.47 0.07 1.04 -0.75 4.36 4.24 1o59A1 GLN 251 HB2 -0.03 -0.11 0.14 -0.04 2.15 2.10 1o59A1 GLN 251 HB3 -0.07 0.03 0.23 -0.04 2.02 2.17 1o59A1 GLN 251 HG2 -0.18 0.29 -0.08 -0.04 2.40 2.39 1o59A1 GLN 251 HG3 -0.60 0.02 0.13 -0.04 2.39 1.90 1o59A1 GLN 251 HE21 -0.01 -0.04 -0.00 -0.04 6.97 6.88 1o59A1 GLN 251 HE22 -0.07 0.13 -0.01 -0.04 7.69 7.69 1o59A1 LEU 252 H -0.23 0.44 0.27 -0.55 8.37 8.30 1o59A1 LEU 252 HA -0.07 0.05 0.50 -0.75 4.35 4.07 1o59A1 LEU 252 HB2 -0.10 0.17 0.07 -0.04 1.64 1.73 1o59A1 LEU 252 HB3 -0.06 -0.06 0.09 -0.04 1.64 1.57 1o59A1 LEU 252 HG -0.06 -0.03 -0.29 -0.04 1.64 1.22 1o59A1 LEU 252 HD13 -0.04 -0.00 -0.15 -0.04 0.93 0.70 1o59A1 LEU 252 HD23 -0.03 -0.05 -0.27 -0.04 0.89 0.50 1o59A1 GLY 253 H -0.05 0.62 0.26 -0.55 8.43 8.71 1o59A1 GLY 253 HA2 -0.05 0.23 -0.02 -0.51 4.01 3.66 1o59A1 GLY 253 HA3 -0.04 0.18 0.23 -0.51 4.01 3.87 1o59A1 ARG 254 H -0.05 0.14 -0.38 -0.55 8.46 7.62 1o59A1 ARG 254 HA -0.03 0.11 0.64 -0.75 4.34 4.31 1o59A1 ARG 254 HB2 -0.01 -0.05 -0.25 -0.04 1.90 1.55 1o59A1 ARG 254 HB3 -0.00 -0.02 -0.30 -0.04 1.80 1.44 1o59A1 ARG 254 HG2 0.00 -0.01 0.10 -0.04 1.67 1.72 1o59A1 ARG 254 HG3 0.01 0.06 -0.05 -0.04 1.67 1.64 1o59A1 ARG 254 HD2 0.03 0.16 -0.03 -0.04 3.22 3.35 1o59A1 ARG 254 HD3 0.04 -0.03 -0.01 -0.04 3.22 3.19 1o59A1 GLU 255 H -0.03 0.11 0.11 -0.55 8.60 8.25 1o59A1 GLU 255 HA -0.05 0.17 0.80 -0.75 4.29 4.45 1o59A1 GLU 255 HB2 -0.03 -0.01 0.08 -0.04 2.09 2.09 1o59A1 GLU 255 HB3 -0.02 -0.04 0.13 -0.04 1.99 2.02 1o59A1 GLU 255 HG2 -0.03 0.27 -0.23 -0.04 2.34 2.31 1o59A1 GLU 255 HG3 -0.04 -0.10 -0.24 -0.04 2.34 1.92 1o59A1 SER 256 H -0.05 0.55 0.34 -0.55 8.46 8.76 1o59A1 SER 256 HA -0.05 0.07 0.50 -0.75 4.49 4.26 1o59A1 SER 256 HB2 -0.09 0.02 0.06 -0.04 3.95 3.90 1o59A1 SER 256 HB3 -0.05 0.02 0.13 -0.04 3.93 3.98 1o59A1 SER 257 H -0.22 0.52 0.29 -0.55 8.46 8.51 1o59A1 SER 257 HA -0.06 0.12 0.53 -0.75 4.49 4.33 1o59A1 SER 257 HB2 -0.39 -0.05 0.02 -0.04 3.95 3.49 1o59A1 SER 257 HB3 0.01 -0.04 0.09 -0.04 3.93 3.95 1o59A1 PHE 258 H -0.37 0.34 0.32 -0.55 8.34 8.08 1o59A1 PHE 258 HA -0.16 0.17 0.85 -0.75 4.62 4.73 1o59A1 PHE 258 HB2 -0.40 0.06 -0.14 -0.04 3.15 2.62 1o59A1 PHE 258 HB3 -0.67 -0.11 0.06 -0.04 3.06 2.31 1o59A1 PHE 258 HD2 0.04 -0.04 -0.22 -0.04 7.28 7.02 1o59A1 PHE 258 HE2 0.06 0.03 -0.25 -0.04 7.38 7.18 1o59A1 PHE 258 HZ 0.05 0.03 -0.09 -0.04 7.32 7.27 1o59A1 ILE 259 H -0.62 0.74 0.24 -0.55 8.25 8.06 1o59A1 ILE 259 HA -0.17 0.17 0.94 -0.75 4.18 4.37 1o59A1 ILE 259 HB -0.20 0.03 0.10 -0.04 1.89 1.77 1o59A1 ILE 259 HG12 -0.06 0.03 -0.07 -0.04 1.49 1.34 1o59A1 ILE 259 HG13 -0.12 0.00 -0.35 -0.04 1.21 0.70 1o59A1 ILE 259 HG23 -0.05 -0.01 -0.25 -0.04 0.93 0.58 1o59A1 ILE 259 HD13 -0.04 0.00 -0.14 -0.04 0.88 0.66 1o59A1 GLU 260 H -0.02 0.68 0.42 -0.55 8.60 9.14 1o59A1 GLU 260 HA -0.14 0.01 0.60 -0.75 4.29 4.01 1o59A1 GLU 260 HB2 0.25 0.01 0.01 -0.04 2.09 2.32 1o59A1 GLU 260 HB3 0.16 0.03 -0.01 -0.04 1.99 2.13 1o59A1 GLU 260 HG2 0.43 -0.02 0.04 -0.04 2.34 2.75 1o59A1 GLU 260 HG3 0.32 0.01 -0.04 -0.04 2.34 2.59 1o59A1 LYS 261 H 0.08 0.41 0.13 -0.55 8.42 8.48 1o59A1 LYS 261 HA 0.08 0.25 0.94 -0.75 4.32 4.84 1o59A1 LYS 261 HB2 0.08 -0.07 -0.39 -0.04 1.87 1.45 1o59A1 LYS 261 HB3 0.20 -0.07 -0.04 -0.04 1.79 1.83 1o59A1 LYS 261 HG2 0.06 0.09 -0.18 -0.04 1.46 1.39 1o59A1 LYS 261 HG3 0.02 0.02 -0.14 -0.04 1.46 1.31 1o59A1 LYS 261 HD2 -0.02 -0.04 -0.19 -0.04 1.69 1.41 1o59A1 LYS 261 HD3 -0.05 0.01 -0.15 -0.04 1.68 1.45 1o59A1 LYS 261 HE2 -0.15 0.00 -0.09 -0.04 2.99 2.71 1o59A1 LYS 261 HE3 -0.12 0.00 -0.12 -0.04 2.99 2.71 1o59A1 ILE 262 H 0.16 0.79 0.37 -0.55 8.25 9.02 1o59A1 ILE 262 HA 0.17 0.26 1.06 -0.75 4.18 4.92 1o59A1 ILE 262 HB 0.22 -0.00 0.11 -0.04 1.89 2.17 1o59A1 ILE 262 HG12 0.08 0.02 0.07 -0.04 1.49 1.62 1o59A1 ILE 262 HG13 0.08 -0.10 -0.29 -0.04 1.21 0.85 1o59A1 ILE 262 HG23 0.17 0.02 -0.10 -0.04 0.93 0.98 1o59A1 ILE 262 HD13 0.05 0.01 -0.13 -0.04 0.88 0.76 1o59A1 ILE 263 H 0.18 0.67 0.33 -0.55 8.25 8.88 1o59A1 ILE 263 HA 0.10 0.42 1.12 -0.75 4.18 5.06 1o59A1 ILE 263 HB 0.18 -0.07 0.08 -0.04 1.89 2.03 1o59A1 ILE 263 HG12 0.08 0.04 -0.24 -0.04 1.49 1.33 1o59A1 ILE 263 HG13 0.25 -0.08 -0.38 -0.04 1.21 0.95 1o59A1 ILE 263 HG23 0.08 0.00 -0.27 -0.04 0.93 0.71 1o59A1 ILE 263 HD13 0.18 -0.00 -0.14 -0.04 0.88 0.88 1o59A1 VAL 264 H 0.18 0.64 0.31 -0.55 8.24 8.82 1o59A1 VAL 264 HA 0.18 0.28 1.05 -0.75 4.13 4.88 1o59A1 VAL 264 HB 0.29 -0.02 0.16 -0.04 2.12 2.51 1o59A1 VAL 264 HG13 0.15 0.01 -0.08 -0.04 0.97 1.01 1o59A1 VAL 264 HG23 0.24 -0.01 -0.15 -0.04 0.95 0.99 1o59A1 ASP 265 H 0.17 0.75 0.32 -0.55 8.40 9.08 1o59A1 ASP 265 HA 0.15 0.29 1.00 -0.75 4.63 5.31 1o59A1 ASP 265 HB2 0.11 0.02 -0.07 -0.04 2.71 2.72 1o59A1 ASP 265 HB3 0.14 -0.03 0.23 -0.04 2.70 2.99 1o59A1 THR 266 H 0.17 0.67 0.29 -0.55 8.28 8.85 1o59A1 THR 266 HA 0.29 0.10 0.97 -0.75 4.39 5.00 1o59A1 THR 266 HB 0.27 0.01 0.40 -0.04 4.32 4.95 1o59A1 THR 266 HG23 0.19 0.06 0.05 -0.04 1.22 1.48 1o59A1 ALA 267 H 0.09 0.08 -0.35 -0.55 8.40 7.68 1o59A1 ALA 267 HA -0.16 -0.02 0.31 -0.75 4.34 3.71 1o59A1 ALA 267 HB3 -0.16 0.05 -0.03 -0.04 1.41 1.24 1o59A1 HIS 268 H -0.32 0.12 0.11 -0.55 8.41 7.77 1o59A1 HIS 268 HA -0.10 -0.00 0.30 -0.75 4.63 4.07 1o59A1 HIS 268 HB2 -0.39 0.20 -0.03 -0.04 3.26 3.00 1o59A1 HIS 268 HB3 -0.23 -0.09 0.09 -0.04 3.20 2.93 1o59A1 HIS 268 HD2 -0.10 -0.05 -0.01 -0.04 6.97 6.77 1o59A1 HIS 268 HE1 -0.02 0.27 -0.42 -0.04 7.75 7.53 1o59A1 PHE 269 H 0.14 0.59 -0.61 -0.55 8.34 7.90 1o59A1 PHE 269 HA 0.12 0.01 0.72 -0.75 4.62 4.72 1o59A1 PHE 269 HB2 0.14 0.11 0.19 -0.04 3.15 3.55 1o59A1 PHE 269 HB3 0.14 -0.12 -0.16 -0.04 3.06 2.89 1o59A1 PHE 269 HD2 0.09 -0.04 -0.22 -0.04 7.28 7.07 1o59A1 PHE 269 HE2 0.13 0.01 -0.36 -0.04 7.38 7.11 1o59A1 PHE 269 HZ 0.11 -0.08 -0.40 -0.04 7.32 6.91 1o59A1 ARG 270 H 0.18 0.10 0.21 -0.55 8.46 8.39 1o59A1 ARG 270 HA 0.20 0.18 0.63 -0.75 4.34 4.60 1o59A1 ARG 270 HB2 0.07 0.03 0.06 -0.04 1.90 2.02 1o59A1 ARG 270 HB3 0.09 0.03 -0.06 -0.04 1.80 1.81 1o59A1 ARG 270 HG2 0.03 0.03 -0.11 -0.04 1.67 1.58 1o59A1 ARG 270 HG3 0.05 -0.08 -0.48 -0.04 1.67 1.11 1o59A1 ARG 270 HD2 0.03 0.08 -0.04 -0.04 3.22 3.25 1o59A1 ARG 270 HD3 0.02 -0.00 -0.04 -0.04 3.22 3.16 1o59A1 GLY 271 H 0.14 0.03 0.14 -0.55 8.43 8.20 1o59A1 GLY 271 HA2 0.08 0.27 0.89 -0.51 4.01 4.74 1o59A1 GLY 271 HA3 0.04 0.03 0.36 -0.51 4.01 3.93 1o59A1 ASN 272 H 0.18 -0.03 -0.23 -0.55 8.53 7.91 1o59A1 ASN 272 HA -0.15 0.24 0.66 -0.75 4.76 4.76 1o59A1 ASN 272 HB2 -0.00 0.00 0.09 -0.04 2.88 2.93 1o59A1 ASN 272 HB3 0.00 0.08 -0.17 -0.04 2.79 2.65 1o59A1 ASN 272 HD21 0.28 0.03 -0.09 -0.04 7.03 7.21 1o59A1 ASN 272 HD22 0.13 0.04 -0.09 -0.04 7.74 7.77 1o59A1 PHE 273 H -0.08 0.04 -0.15 -0.55 8.34 7.59 1o59A1 PHE 273 HA -0.04 0.14 0.62 -0.75 4.62 4.60 1o59A1 PHE 273 HB2 0.05 0.12 0.02 -0.04 3.15 3.30 1o59A1 PHE 273 HB3 0.12 0.09 0.12 -0.04 3.06 3.36 1o59A1 PHE 273 HD2 0.03 0.10 -0.35 -0.04 7.28 7.01 1o59A1 PHE 273 HE2 -0.01 0.19 0.00 -0.04 7.38 7.52 1o59A1 PHE 273 HZ -0.01 -0.04 -0.00 -0.04 7.32 7.23 1o59A1 PRO 274 HA -0.10 0.28 0.51 -0.51 4.44 4.61 1o59A1 PRO 274 HB2 0.03 0.07 -0.07 -0.04 2.28 2.27 1o59A1 PRO 274 HB3 -0.02 -0.12 0.07 -0.04 2.02 1.91 1o59A1 PRO 274 HG2 0.01 0.02 -0.10 -0.04 2.03 1.91 1o59A1 PRO 274 HG3 -0.11 -0.05 -0.23 -0.04 2.03 1.60 1o59A1 PRO 274 HD2 0.13 0.08 0.11 -0.04 3.68 3.95 1o59A1 PRO 274 HD3 -0.00 0.30 0.21 -0.04 3.65 4.12 1o59A1 GLN 275 H -0.09 0.39 0.40 -0.55 8.47 8.63 1o59A1 GLN 275 HA -0.20 0.14 0.74 -0.75 4.36 4.28 1o59A1 GLN 275 HB2 -0.18 -0.02 0.19 -0.04 2.15 2.10 1o59A1 GLN 275 HB3 -0.12 0.08 0.19 -0.04 2.02 2.13 1o59A1 GLN 275 HG2 -1.19 -0.04 -0.13 -0.04 2.40 0.99 1o59A1 GLN 275 HG3 -0.38 0.01 0.10 -0.04 2.39 2.08 1o59A1 GLN 275 HE21 0.00 -0.03 -0.00 -0.04 6.97 6.89 1o59A1 GLN 275 HE22 -0.14 -0.00 0.01 -0.04 7.69 7.51 1o59A1 PHE 276 H 0.06 0.38 0.27 -0.55 8.34 8.50 1o59A1 PHE 276 HA 0.02 0.25 0.76 -0.75 4.62 4.90 1o59A1 PHE 276 HB2 0.00 -0.08 -0.11 -0.04 3.15 2.93 1o59A1 PHE 276 HB3 -0.00 -0.05 -0.00 -0.04 3.06 2.97 1o59A1 PHE 276 HD2 0.01 -0.03 -0.35 -0.04 7.28 6.87 1o59A1 PHE 276 HE2 0.02 -0.03 -0.08 -0.04 7.38 7.25 1o59A1 PHE 276 HZ 0.02 -0.02 -0.06 -0.04 7.32 7.22 1o59A1 ILE 277 H 0.16 0.52 0.33 -0.55 8.25 8.71 1o59A1 ILE 277 HA 0.08 0.21 0.72 -0.75 4.18 4.44 1o59A1 ILE 277 HB 0.06 0.09 0.15 -0.04 1.89 2.15 1o59A1 ILE 277 HG12 0.05 -0.03 -0.11 -0.04 1.49 1.36 1o59A1 ILE 277 HG13 0.02 0.05 -0.00 -0.04 1.21 1.23 1o59A1 ILE 277 HG23 0.06 -0.03 -0.17 -0.04 0.93 0.74 1o59A1 ILE 277 HD13 -0.14 -0.01 -0.37 -0.04 0.88 0.32 1o59A1 THR 278 H 0.02 0.52 0.32 -0.55 8.28 8.60 1o59A1 THR 278 HA -0.09 0.26 0.31 -0.75 4.39 4.12 1o59A1 THR 278 HB -0.06 0.18 0.12 -0.04 4.32 4.52 1o59A1 THR 278 HG23 -0.05 -0.03 -0.28 -0.04 1.22 0.81 1o59A1 VAL 279 H -0.07 0.54 0.33 -0.55 8.24 8.49 1o59A1 VAL 279 HA -0.01 0.38 1.04 -0.75 4.13 4.79 1o59A1 VAL 279 HB -0.02 -0.16 0.13 -0.04 2.12 2.03 1o59A1 VAL 279 HG13 0.05 0.01 -0.12 -0.04 0.97 0.88 1o59A1 VAL 279 HG23 0.00 0.00 -0.19 -0.04 0.95 0.72 1o59A1 GLU 280 H -0.02 0.63 0.34 -0.55 8.60 9.01 1o59A1 GLU 280 HA 0.10 0.06 1.07 -0.75 4.29 4.76 1o59A1 GLU 280 HB2 -0.04 -0.07 -0.00 -0.04 2.09 1.93 1o59A1 GLU 280 HB3 0.37 0.14 0.00 -0.04 1.99 2.47 1o59A1 GLU 280 HG2 0.04 0.02 -0.29 -0.04 2.34 2.07 1o59A1 GLU 280 HG3 -0.02 -0.06 -0.31 -0.04 2.34 1.91 1o59A1 GLY 281 H 0.19 0.58 0.28 -0.55 8.43 8.94 1o59A1 GLY 281 HA2 0.29 0.26 0.99 -0.51 4.01 5.04 1o59A1 GLY 281 HA3 0.09 0.00 0.34 -0.51 4.01 3.93 1o59A1 CYS 282 H -0.20 0.57 0.33 -0.55 8.50 8.66 1o59A1 CYS 282 HA -0.30 0.17 0.44 -0.75 4.58 4.14 1o59A1 CYS 282 HB2 -0.92 0.35 -0.13 -0.04 2.97 2.24 1o59A1 CYS 282 HB3 -2.24 -0.12 -0.48 -0.04 2.97 0.10 1o59A1 LEU 283 H -0.25 0.33 0.26 -0.55 8.37 8.16 1o59A1 LEU 283 HA -0.10 -0.06 1.03 -0.75 4.35 4.47 1o59A1 LEU 283 HB2 -0.09 0.23 0.16 -0.04 1.64 1.90 1o59A1 LEU 283 HB3 -0.11 -0.01 0.27 -0.04 1.64 1.74 1o59A1 LEU 283 HG -0.07 0.01 -0.14 -0.04 1.64 1.40 1o59A1 LEU 283 HD13 -0.04 -0.01 -0.07 -0.04 0.93 0.76 1o59A1 LEU 283 HD23 -0.05 0.01 0.01 -0.04 0.89 0.82 1o59A1 LYS 284 H -0.03 0.11 0.06 -0.55 8.42 8.00 1o59A1 LYS 284 HA -0.16 0.22 0.92 -0.75 4.32 4.55 1o59A1 LYS 284 HB2 -0.13 -0.02 -0.03 -0.04 1.87 1.65 1o59A1 LYS 284 HB3 -0.06 0.06 0.05 -0.04 1.79 1.80 1o59A1 LYS 284 HG2 -0.23 0.03 -0.04 -0.04 1.46 1.18 1o59A1 LYS 284 HG3 -0.22 0.03 0.00 -0.04 1.46 1.24 1o59A1 LYS 284 HD2 -0.44 0.04 -0.30 -0.04 1.69 0.95 1o59A1 LYS 284 HD3 -0.75 -0.05 -0.29 -0.04 1.68 0.54 1o59A1 LYS 284 HE2 -0.77 0.03 -0.12 -0.04 2.99 2.09 1o59A1 LYS 284 HE3 -0.25 0.02 -0.09 -0.04 2.99 2.62 1o59A1 THR 296 HA -0.06 -0.08 0.19 -0.75 4.39 3.69 1o59A1 THR 296 HB -0.11 -0.01 0.06 -0.04 4.32 4.22 1o59A1 THR 296 HG23 -0.21 -0.02 0.18 -0.04 1.22 1.13 1o59A1 TRP 297 H 0.18 0.08 0.08 -0.55 7.97 7.76 1o59A1 TRP 297 HA -0.06 0.25 0.51 -0.75 4.62 4.57 1o59A1 TRP 297 HB2 -0.09 -0.05 0.06 -0.04 3.23 3.11 1o59A1 TRP 297 HB3 -0.08 -0.02 -0.13 -0.04 3.23 2.96 1o59A1 TRP 297 HD1 -0.13 -0.00 -0.05 -0.04 7.22 7.00 1o59A1 TRP 297 HE1 -0.18 0.00 -0.14 -0.04 10.20 9.84 1o59A1 TRP 297 HE3 -0.05 0.04 -0.51 -0.04 7.59 7.02 1o59A1 TRP 297 HZ2 -0.14 0.00 -0.21 -0.04 7.44 7.04 1o59A1 TRP 297 HZ3 -0.01 0.02 -0.51 -0.04 7.13 6.59 1o59A1 TRP 297 HH2 0.01 0.03 -0.46 -0.04 7.19 6.73 1o59A1 VAL 298 H 0.13 0.68 0.41 -0.55 8.24 8.92 1o59A1 VAL 298 HA 0.06 0.12 0.88 -0.75 4.13 4.43 1o59A1 VAL 298 HB 0.01 -0.01 0.07 -0.04 2.12 2.15 1o59A1 VAL 298 HG13 -0.01 0.03 -0.11 -0.04 0.97 0.84 1o59A1 VAL 298 HG23 0.01 0.04 -0.10 -0.04 0.95 0.85 1o59A1 GLU 299 H 0.03 0.12 0.14 -0.55 8.60 8.35 1o59A1 GLU 299 HA 0.03 0.06 0.47 -0.75 4.29 4.10 1o59A1 GLU 299 HB2 -0.00 -0.01 0.03 -0.04 2.09 2.07 1o59A1 GLU 299 HB3 0.00 -0.01 0.10 -0.04 1.99 2.04 1o59A1 GLU 299 HG2 -0.02 0.05 -0.58 -0.04 2.34 1.75 1o59A1 GLU 299 HG3 -0.03 0.09 -0.40 -0.04 2.34 1.97 1o59A1 LEU 300 H 0.01 0.58 0.49 -0.55 8.37 8.90 1o59A1 LEU 300 HA -0.00 0.18 0.84 -0.75 4.35 4.61 1o59A1 LEU 300 HB2 0.02 0.01 -0.06 -0.04 1.64 1.57 1o59A1 LEU 300 HB3 0.01 -0.04 -0.08 -0.04 1.64 1.49 1o59A1 LEU 300 HG 0.05 -0.08 -0.23 -0.04 1.64 1.35 1o59A1 LEU 300 HD13 0.05 -0.00 -0.27 -0.04 0.93 0.66 1o59A1 LEU 300 HD23 -0.01 0.02 -0.13 -0.04 0.89 0.74 1o59A1 VAL 301 H -0.04 0.58 0.37 -0.55 8.24 8.60 1o59A1 VAL 301 HA -0.11 0.17 0.76 -0.75 4.13 4.20 1o59A1 VAL 301 HB -0.21 -0.15 0.13 -0.04 2.12 1.84 1o59A1 VAL 301 HG13 -0.68 0.10 -0.08 -0.04 0.97 0.27 1o59A1 VAL 301 HG23 -0.14 0.00 -0.13 -0.04 0.95 0.63 1o59A1 GLY 302 H -0.08 0.15 0.02 -0.55 8.43 7.97 1o59A1 GLY 302 HA2 -0.06 0.06 0.61 -0.51 4.01 4.11 1o59A1 GLY 302 HA3 -0.05 0.03 0.30 -0.51 4.01 3.78 1o59A1 LYS 303 H -0.08 0.04 0.12 -0.55 8.42 7.95 1o59A1 LYS 303 HA -0.07 0.18 0.28 -0.75 4.32 3.96 1o59A1 LYS 303 HB2 -0.15 -0.03 0.10 -0.04 1.87 1.75 1o59A1 LYS 303 HB3 -0.17 -0.03 0.12 -0.04 1.79 1.68 1o59A1 LYS 303 HG2 -0.64 0.00 -0.19 -0.04 1.46 0.59 1o59A1 LYS 303 HG3 -0.29 0.01 -0.09 -0.04 1.46 1.05 1o59A1 LYS 303 HD2 -0.27 -0.00 -0.06 -0.04 1.69 1.31 1o59A1 LYS 303 HD3 -0.34 -0.02 -0.04 -0.04 1.68 1.23 1o59A1 LYS 303 HE2 -2.13 0.02 -0.12 -0.04 2.99 0.72 1o59A1 LYS 303 HE3 -0.51 0.00 -0.09 -0.04 2.99 2.35 1o59A1 SER 304 H 0.07 0.37 0.36 -0.55 8.46 8.71 1o59A1 SER 304 HA 0.12 0.08 0.92 -0.75 4.49 4.86 1o59A1 SER 304 HB2 -0.05 -0.02 0.09 -0.04 3.95 3.93 1o59A1 SER 304 HB3 0.18 0.03 -0.06 -0.04 3.93 4.05 1o59A1 LYS 305 H 0.24 0.10 0.16 -0.55 8.42 8.37 1o59A1 LYS 305 HA 0.06 0.21 0.66 -0.75 4.32 4.50 1o59A1 LYS 305 HB2 0.23 -0.07 0.15 -0.04 1.87 2.14 1o59A1 LYS 305 HB3 0.11 -0.04 0.09 -0.04 1.79 1.91 1o59A1 LYS 305 HG2 -0.04 0.18 0.02 -0.04 1.46 1.58 1o59A1 LYS 305 HG3 -0.28 0.05 0.13 -0.04 1.46 1.33 1o59A1 LYS 305 HD2 0.08 -0.07 0.02 -0.04 1.69 1.68 1o59A1 LYS 305 HD3 0.04 -0.04 -0.02 -0.04 1.68 1.63 1o59A1 LYS 305 HE2 0.02 -0.07 0.01 -0.04 2.99 2.91 1o59A1 LYS 305 HE3 -0.01 0.07 0.03 -0.04 2.99 3.04 1o59A1 THR 306 H -0.05 0.51 0.18 -0.55 8.28 8.38 1o59A1 THR 306 HA -0.11 0.09 0.84 -0.75 4.39 4.45 1o59A1 THR 306 HB -0.07 0.03 -0.00 -0.04 4.32 4.23 1o59A1 THR 306 HG23 -0.30 -0.01 -0.21 -0.04 1.22 0.67 1o59A1 GLY 307 H 0.46 0.12 0.14 -0.55 8.43 8.60 1o59A1 GLY 307 HA2 -0.42 0.20 0.80 -0.51 4.01 4.08 1o59A1 GLY 307 HA3 -0.13 0.00 0.23 -0.51 4.01 3.61 1o59A1 PRO 308 HA -0.50 0.22 0.69 -0.51 4.44 4.35 1o59A1 PRO 308 HB2 -0.12 -0.04 0.01 -0.04 2.28 2.08 1o59A1 PRO 308 HB3 -0.25 0.11 0.23 -0.04 2.02 2.07 1o59A1 PRO 308 HG2 -0.20 -0.01 0.10 -0.04 2.03 1.88 1o59A1 PRO 308 HG3 -0.17 0.05 0.12 -0.04 2.03 1.99 1o59A1 PRO 308 HD2 -0.34 0.06 0.20 -0.04 3.68 3.56 1o59A1 PRO 308 HD3 -0.81 0.17 0.21 -0.04 3.65 3.17 1o59A1 ASP 309 H 0.02 0.42 0.20 -0.55 8.40 8.49 1o59A1 ASP 309 HA -0.03 -0.01 -0.02 -0.75 4.63 3.81 1o59A1 ASP 309 HB2 -0.05 -0.01 -0.38 -0.04 2.71 2.24 1o59A1 ASP 309 HB3 -0.09 0.23 -0.41 -0.04 2.70 2.39 1o59A1 LYS 310 H -0.03 0.14 -0.17 -0.55 8.42 7.79 1o59A1 LYS 310 HA -0.12 0.17 0.92 -0.75 4.32 4.53 1o59A1 LYS 310 HB2 -0.25 0.01 -0.01 -0.04 1.87 1.58 1o59A1 LYS 310 HB3 -0.20 0.17 -0.28 -0.04 1.79 1.44 1o59A1 LYS 310 HG2 -0.34 0.02 -0.35 -0.04 1.46 0.75 1o59A1 LYS 310 HG3 -1.16 -0.05 -0.43 -0.04 1.46 -0.21 1o59A1 LYS 310 HD2 -0.23 0.03 -0.11 -0.04 1.69 1.34 1o59A1 LYS 310 HD3 -0.30 -0.04 -0.11 -0.04 1.68 1.19 1o59A1 LYS 310 HE2 -0.58 0.06 -0.30 -0.04 2.99 2.13 1o59A1 LYS 310 HE3 -0.25 0.00 -0.07 -0.04 2.99 2.64 1o59A1 GLU 311 H -0.12 0.20 0.12 -0.55 8.60 8.25 1o59A1 GLU 311 HA 0.01 0.12 0.74 -0.75 4.29 4.40 1o59A1 GLU 311 HB2 -0.06 0.00 0.14 -0.04 2.09 2.13 1o59A1 GLU 311 HB3 -0.01 0.03 -0.08 -0.04 1.99 1.89 1o59A1 GLU 311 HG2 0.02 0.01 -0.07 -0.04 2.34 2.26 1o59A1 GLU 311 HG3 -0.03 -0.03 -0.01 -0.04 2.34 2.24 1o59A1 HIS 312 H 0.14 0.87 0.30 -0.55 8.41 9.18 1o59A1 HIS 312 HA -0.17 0.09 0.80 -0.75 4.63 4.60 1o59A1 HIS 312 HB2 -0.01 -0.05 0.23 -0.04 3.26 3.39 1o59A1 HIS 312 HB3 -0.28 0.02 0.01 -0.04 3.20 2.91 1o59A1 HIS 312 HD2 0.01 0.08 0.02 -0.04 6.97 7.04 1o59A1 HIS 312 HE1 -0.01 0.14 0.07 -0.04 7.75 7.91 1o59A1 VAL 313 H -0.26 0.22 0.12 -0.55 8.24 7.77 1o59A1 VAL 313 HA -0.14 0.23 0.88 -0.75 4.13 4.35 1o59A1 VAL 313 HB -0.11 -0.01 0.12 -0.04 2.12 2.09 1o59A1 VAL 313 HG13 -0.03 -0.02 -0.23 -0.04 0.97 0.65 1o59A1 VAL 313 HG23 -0.06 0.02 -0.21 -0.04 0.95 0.66 1o59A1 TYR 314 H -0.02 0.95 0.37 -0.55 8.29 9.04 1o59A1 TYR 314 HA 0.05 0.12 0.87 -0.75 4.56 4.85 1o59A1 TYR 314 HB2 0.05 -0.08 0.17 -0.04 3.06 3.16 1o59A1 TYR 314 HB3 0.04 0.07 0.01 -0.04 2.98 3.05 1o59A1 TYR 314 HD2 0.06 0.02 -0.09 -0.04 7.15 7.10 1o59A1 TYR 314 HE2 0.07 -0.00 -0.10 -0.04 6.85 6.77 1o59A1 GLU 315 H 0.09 0.20 0.14 -0.55 8.60 8.48 1o59A1 GLU 315 HA 0.06 0.10 0.97 -0.75 4.29 4.66 1o59A1 GLU 315 HB2 0.04 -0.01 0.17 -0.04 2.09 2.26 1o59A1 GLU 315 HB3 0.04 0.04 0.05 -0.04 1.99 2.08 1o59A1 GLU 315 HG2 0.03 0.04 0.05 -0.04 2.34 2.42 1o59A1 GLU 315 HG3 0.03 -0.06 -0.10 -0.04 2.34 2.16 1o59A1 ILE 316 H 0.01 0.34 0.17 -0.55 8.25 8.22 1o59A1 ILE 316 HA 0.01 0.16 0.65 -0.75 4.18 4.25 1o59A1 ILE 316 HB -0.08 -0.04 -0.21 -0.04 1.89 1.52 1o59A1 ILE 316 HG12 0.07 0.01 -0.19 -0.04 1.49 1.33 1o59A1 ILE 316 HG13 0.02 -0.05 -0.18 -0.04 1.21 0.96 1o59A1 ILE 316 HG23 -0.07 -0.00 -0.12 -0.04 0.93 0.70 1o59A1 ILE 316 HD13 0.05 0.06 -0.24 -0.04 0.88 0.71 1o59A1 ARG 317 H -0.12 0.15 0.24 -0.55 8.46 8.18 1o59A1 ARG 317 HA -0.29 -0.04 0.40 -0.75 4.34 3.65 1o59A1 ARG 317 HB2 0.07 0.12 -0.10 -0.04 1.90 1.95 1o59A1 ARG 317 HB3 0.23 -0.05 0.17 -0.04 1.80 2.11 1o59A1 ARG 317 HG2 0.12 0.03 0.17 -0.04 1.67 1.95 1o59A1 ARG 317 HG3 0.06 -0.04 -0.12 -0.04 1.67 1.53 1o59A1 ARG 317 HD2 0.09 0.00 -0.02 -0.04 3.22 3.26 1o59A1 ARG 317 HD3 0.18 -0.02 0.02 -0.04 3.22 3.36 1o59A1 LYS 318 H -0.55 0.45 0.04 -0.55 8.42 7.82 1o59A1 LYS 318 HA 0.01 0.16 0.94 -0.75 4.32 4.68 1o59A1 LYS 318 HB2 -0.08 0.08 -0.22 -0.04 1.87 1.60 1o59A1 LYS 318 HB3 -0.11 -0.09 -0.11 -0.04 1.79 1.45 1o59A1 LYS 318 HG2 -0.01 0.07 -0.11 -0.04 1.46 1.37 1o59A1 LYS 318 HG3 0.00 0.03 0.01 -0.04 1.46 1.47 1o59A1 SER 319 H 0.16 0.18 0.13 -0.55 8.46 8.38 1o59A1 SER 319 HA 0.23 0.15 0.84 -0.75 4.49 4.96 1o59A1 SER 319 HB2 0.10 -0.03 0.21 -0.04 3.95 4.18 1o59A1 SER 319 HB3 0.12 0.09 0.12 -0.04 3.93 4.22 1o59A1 ILE 320 H -0.03 0.32 -0.02 -0.55 8.25 7.98 1o59A1 ILE 320 HA -0.01 0.07 0.48 -0.75 4.18 3.96 1o59A1 ILE 320 HB -0.04 0.04 -0.45 -0.04 1.89 1.40 1o59A1 ILE 320 HG12 -0.04 -0.01 -0.33 -0.04 1.49 1.07 1o59A1 ILE 320 HG13 -0.03 -0.01 0.00 -0.04 1.21 1.14 1o59A1 ILE 320 HG23 -0.07 -0.01 -0.27 -0.04 0.93 0.54 1o59A1 ILE 320 HD13 -0.02 -0.00 -0.13 -0.04 0.88 0.68 1o59A1 ARG 321 H -0.03 0.16 -0.00 -0.55 8.46 8.04 1o59A1 ARG 321 HA -0.04 0.47 0.81 -0.75 4.34 4.82 1o59A1 ARG 321 HB2 -0.03 -0.08 0.15 -0.04 1.90 1.91 1o59A1 ARG 321 HB3 -0.03 0.00 0.01 -0.04 1.80 1.74 1o59A1 ARG 321 HG2 -0.01 -0.04 0.01 -0.04 1.67 1.59 1o59A1 ARG 321 HG3 -0.02 0.31 0.07 -0.04 1.67 1.99 1o59A1 ARG 321 HD2 -0.01 -0.13 -0.19 -0.04 3.22 2.85 1o59A1 ARG 321 HD3 -0.00 -0.03 -0.03 -0.04 3.22 3.11 1o59A1 VAL 322 H -0.05 0.26 0.10 -0.55 8.24 8.00 1o59A1 VAL 322 HA -0.07 0.15 0.68 -0.75 4.13 4.14 1o59A1 VAL 322 HB -0.05 0.05 0.10 -0.04 2.12 2.18 1o59A1 VAL 322 HG13 -0.05 -0.02 -0.40 -0.04 0.97 0.46 1o59A1 VAL 322 HG23 -0.03 0.00 -0.16 -0.04 0.95 0.73 1o59A1 SER 323 H -0.04 0.57 0.47 -0.55 8.46 8.91 1o59A1 SER 323 HA -0.09 0.18 0.87 -0.75 4.49 4.70 1o59A1 SER 323 HB2 -0.06 0.09 0.08 -0.04 3.95 4.02 1o59A1 SER 323 HB3 -0.01 0.02 0.09 -0.04 3.93 3.99 1o59A1 HIS 324 H 0.02 0.32 0.39 -0.55 8.41 8.58 1o59A1 HIS 324 HA 0.03 0.31 1.05 -0.75 4.63 5.27 1o59A1 HIS 324 HB2 -0.24 -0.08 -0.03 -0.04 3.26 2.87 1o59A1 HIS 324 HB3 0.21 0.03 -0.05 -0.04 3.20 3.35 1o59A1 HIS 324 HD2 0.06 -0.04 -0.22 -0.04 6.97 6.73 1o59A1 HIS 324 HE1 -0.06 0.01 -0.06 -0.04 7.75 7.60 1o59A1 VAL 325 H 0.20 0.64 0.37 -0.55 8.24 8.90 1o59A1 VAL 325 HA 0.42 0.22 0.92 -0.75 4.13 4.94 1o59A1 VAL 325 HB 0.12 0.05 0.06 -0.04 2.12 2.32 1o59A1 VAL 325 HG13 0.07 -0.02 -0.17 -0.04 0.97 0.81 1o59A1 VAL 325 HG23 0.07 -0.00 -0.09 -0.04 0.95 0.88 1o59A1 LYS 326 H 0.16 0.83 0.32 -0.55 8.42 9.17 1o59A1 LYS 326 HA -0.10 0.29 1.04 -0.75 4.32 4.80 1o59A1 LYS 326 HB2 -1.59 0.00 -0.14 -0.04 1.87 0.10 1o59A1 LYS 326 HB3 -0.85 -0.09 0.03 -0.04 1.79 0.85 1o59A1 LYS 326 HG2 -0.40 -0.03 -0.34 -0.04 1.46 0.64 1o59A1 LYS 326 HG3 -0.31 0.03 -0.18 -0.04 1.46 0.96 1o59A1 LYS 326 HD2 -1.02 -0.01 -0.19 -0.04 1.69 0.43 1o59A1 LYS 326 HD3 -1.31 0.01 -0.17 -0.04 1.68 0.16 1o59A1 LYS 326 HE2 -1.25 -0.03 -0.15 -0.04 2.99 1.51 1o59A1 LYS 326 HE3 -0.72 -0.00 -0.16 -0.04 2.99 2.07 1o59A1 LEU 327 H 0.01 0.66 0.34 -0.55 8.37 8.83 1o59A1 LEU 327 HA 0.04 0.23 1.02 -0.75 4.35 4.89 1o59A1 LEU 327 HB2 0.07 -0.00 0.04 -0.04 1.64 1.71 1o59A1 LEU 327 HB3 0.05 -0.00 0.16 -0.04 1.64 1.80 1o59A1 LEU 327 HG 0.27 -0.05 -0.41 -0.04 1.64 1.41 1o59A1 LEU 327 HD13 0.12 0.03 -0.01 -0.04 0.93 1.03 1o59A1 LEU 327 HD23 0.22 -0.01 -0.11 -0.04 0.89 0.95 1o59A1 THR 328 H 0.06 0.67 0.34 -0.55 8.28 8.80 1o59A1 THR 328 HA 0.23 0.28 1.05 -0.75 4.39 5.19 1o59A1 THR 328 HB 0.02 -0.11 0.08 -0.04 4.32 4.27 1o59A1 THR 328 HG23 0.07 0.02 -0.14 -0.04 1.22 1.13 1o59A1 ILE 329 H 0.20 0.64 0.24 -0.55 8.25 8.77 1o59A1 ILE 329 HA 0.08 0.27 0.94 -0.75 4.18 4.72 1o59A1 ILE 329 HB -0.03 0.06 -0.13 -0.04 1.89 1.75 1o59A1 ILE 329 HG12 0.06 -0.02 -0.16 -0.04 1.49 1.33 1o59A1 ILE 329 HG13 -0.08 -0.07 -0.31 -0.04 1.21 0.71 1o59A1 ILE 329 HG23 0.15 0.01 -0.28 -0.04 0.93 0.76 1o59A1 ILE 329 HD13 -0.65 -0.01 -0.35 -0.04 0.88 -0.17 1o59A1 ILE 330 H 0.07 0.56 0.26 -0.55 8.25 8.58 1o59A1 ILE 330 HA 0.09 0.24 0.92 -0.75 4.18 4.67 1o59A1 ILE 330 HB 0.23 -0.06 -0.01 -0.04 1.89 2.01 1o59A1 ILE 330 HG12 0.06 0.09 -0.18 -0.04 1.49 1.42 1o59A1 ILE 330 HG13 0.08 -0.07 -0.83 -0.04 1.21 0.35 1o59A1 ILE 330 HG23 0.15 0.04 -0.14 -0.04 0.93 0.93 1o59A1 ILE 330 HD13 0.04 -0.01 -0.32 -0.04 0.88 0.54 1o59A1 PRO 331 HA 0.11 0.30 0.45 -0.51 4.44 4.79 1o59A1 PRO 331 HB2 0.09 -0.04 -0.08 -0.04 2.28 2.21 1o59A1 PRO 331 HB3 0.08 0.02 0.09 -0.04 2.02 2.17 1o59A1 PRO 331 HG2 -0.03 0.02 -0.02 -0.04 2.03 1.96 1o59A1 PRO 331 HG3 -0.00 0.04 0.04 -0.04 2.03 2.06 1o59A1 PRO 331 HD2 -0.04 0.13 0.45 -0.04 3.68 4.18 1o59A1 PRO 331 HD3 0.02 0.07 0.19 -0.04 3.65 3.89 1o59A1 ASP 332 H -0.03 0.40 -0.26 -0.55 8.40 7.96 1o59A1 ASP 332 HA -0.07 0.04 0.30 -0.75 4.63 4.13 1o59A1 ASP 332 HB2 -0.13 0.04 -0.03 -0.04 2.71 2.55 1o59A1 ASP 332 HB3 -0.04 0.09 -0.12 -0.04 2.70 2.59 1o59A1 GLY 333 H -0.25 0.14 0.06 -0.55 8.43 7.83 1o59A1 GLY 333 HA2 -0.18 0.08 0.23 -0.51 4.01 3.63 1o59A1 GLY 333 HA3 -0.20 0.20 0.67 -0.51 4.01 4.18 1o59A1 GLY 334 H -0.31 0.37 0.29 -0.55 8.43 8.23 1o59A1 GLY 334 HA2 -0.78 0.33 1.15 -0.51 4.01 4.19 1o59A1 GLY 334 HA3 -1.51 -0.06 0.21 -0.51 4.01 2.15 1o59A1 VAL 335 H -0.41 0.61 0.30 -0.55 8.24 8.19 1o59A1 VAL 335 HA -0.02 0.10 0.91 -0.75 4.13 4.37 1o59A1 VAL 335 HB 0.28 -0.03 0.02 -0.04 2.12 2.36 1o59A1 VAL 335 HG13 0.19 -0.02 -0.17 -0.04 0.97 0.93 1o59A1 VAL 335 HG23 0.05 -0.02 -0.25 -0.04 0.95 0.69 1o59A1 LYS 336 H 0.30 0.39 0.42 -0.55 8.42 8.97 1o59A1 LYS 336 HA 0.39 -0.02 0.69 -0.75 4.32 4.63 1o59A1 LYS 336 HB2 0.36 0.03 0.03 -0.04 1.87 2.24 1o59A1 LYS 336 HB3 0.20 -0.11 0.07 -0.04 1.79 1.91 1o59A1 LYS 336 HG2 0.17 0.18 -0.04 -0.04 1.46 1.73 1o59A1 LYS 336 HG3 0.18 0.07 -0.19 -0.04 1.46 1.47 1o59A1 LYS 336 HD2 0.18 0.05 -0.26 -0.04 1.69 1.63 1o59A1 LYS 336 HD3 0.33 -0.15 -0.11 -0.04 1.68 1.71 1o59A1 LYS 336 HE2 0.08 -0.01 -0.14 -0.04 2.99 2.89 1o59A1 LYS 336 HE3 0.18 0.20 -0.13 -0.04 2.99 3.20 1o59A1 ARG 337 H 0.18 0.27 0.29 -0.55 8.46 8.64 1o59A1 ARG 337 HA 0.13 0.28 0.99 -0.75 4.34 4.99 1o59A1 ARG 337 HB2 0.12 -0.24 -0.02 -0.04 1.90 1.72 1o59A1 ARG 337 HB3 0.10 0.11 0.03 -0.04 1.80 2.00 1o59A1 ARG 337 HG2 0.14 -0.20 -0.60 -0.04 1.67 0.98 1o59A1 ARG 337 HG3 0.11 0.01 -0.09 -0.04 1.67 1.66 1o59A1 ARG 337 HD2 0.12 0.03 -0.09 -0.04 3.22 3.23 1o59A1 ARG 337 HD3 0.13 0.24 0.13 -0.04 3.22 3.67 1o59A1 ILE 338 H 0.09 0.71 0.32 -0.55 8.25 8.81 1o59A1 ILE 338 HA 0.12 0.31 0.64 -0.75 4.18 4.49 1o59A1 ILE 338 HB 0.11 -0.02 0.08 -0.04 1.89 2.02 1o59A1 ILE 338 HG12 0.07 -0.05 -0.25 -0.04 1.49 1.22 1o59A1 ILE 338 HG13 0.12 0.12 0.08 -0.04 1.21 1.49 1o59A1 ILE 338 HG23 0.04 -0.01 -0.07 -0.04 0.93 0.85 1o59A1 ILE 338 HD13 0.08 -0.02 -0.09 -0.04 0.88 0.81 1o59A1 ARG 339 H 0.10 0.58 0.33 -0.55 8.46 8.91 1o59A1 ARG 339 HA -0.08 0.17 0.88 -0.75 4.34 4.56 1o59A1 ARG 339 HB2 0.21 -0.11 0.05 -0.04 1.90 2.01 1o59A1 ARG 339 HB3 -0.10 -0.03 -0.01 -0.04 1.80 1.62 1o59A1 ARG 339 HG2 0.12 0.02 -0.20 -0.04 1.67 1.57 1o59A1 ARG 339 HG3 0.19 -0.02 -0.11 -0.04 1.67 1.69 1o59A1 ARG 339 HD2 -0.08 -0.05 -0.08 -0.04 3.22 2.96 1o59A1 ARG 339 HD3 0.03 0.21 -0.58 -0.04 3.22 2.84 1o59A1 VAL 340 H -0.20 0.09 0.06 -0.55 8.24 7.65 1o59A1 VAL 340 HA 0.06 0.24 0.99 -0.75 4.13 4.67 1o59A1 VAL 340 HB -0.06 -0.11 0.13 -0.04 2.12 2.04 1o59A1 VAL 340 HG13 0.00 0.02 -0.11 -0.04 0.97 0.84 1o59A1 VAL 340 HG23 0.02 0.02 -0.25 -0.04 0.95 0.71 1o59A1 TRP 341 H 0.30 0.61 0.24 -0.55 7.97 8.57 1o59A1 TRP 341 HA 0.02 0.33 0.96 -0.75 4.62 5.17 1o59A1 TRP 341 HB2 0.02 0.01 0.18 -0.04 3.23 3.40 1o59A1 TRP 341 HB3 0.04 0.01 -0.02 -0.04 3.23 3.22 1o59A1 TRP 341 HD1 0.01 0.02 -0.17 -0.04 7.22 7.04 1o59A1 TRP 341 HE1 -0.03 0.03 -0.10 -0.04 10.20 10.06 1o59A1 TRP 341 HE3 0.02 0.05 -0.34 -0.04 7.59 7.27 1o59A1 TRP 341 HZ2 -0.08 0.03 -0.05 -0.04 7.44 7.29 1o59A1 TRP 341 HZ3 -0.02 0.20 -0.11 -0.04 7.13 7.17 1o59A1 TRP 341 HH2 -0.05 0.04 -0.02 -0.04 7.19 7.12 1o59A1 GLY 342 H 0.24 0.73 0.51 -0.55 8.43 9.36 1o59A1 GLY 342 HA2 0.29 -0.07 0.45 -0.51 4.01 4.17 1o59A1 GLY 342 HA3 0.08 0.23 0.56 -0.51 4.01 4.37 1o59A1 TYR 343 H -0.04 0.49 0.25 -0.55 8.29 8.43 1o59A1 TYR 343 HA 0.06 0.24 0.58 -0.75 4.56 4.68 1o59A1 TYR 343 HB2 0.07 0.19 0.03 -0.04 3.06 3.30 1o59A1 TYR 343 HB3 0.11 -0.01 -0.40 -0.04 2.98 2.65 1o59A1 TYR 343 HD2 0.11 0.01 -0.05 -0.04 7.15 7.18 1o59A1 TYR 343 HE2 -0.08 0.01 -0.04 -0.04 6.85 6.70