============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 3 1.000 -0.838 41.643 25.929 -99.200 -91.000 PHE 5 1.000 3.006 39.326 31.096 -99.200 -91.000 HIS 14 0.900 9.636 35.413 49.351 -99.200 -91.000 HIS 30 0.900 34.584 40.433 51.300 -99.200 -91.000 TYR 64 0.840 32.477 37.116 56.080 -99.200 -91.000 HIS 74 0.900 17.900 48.402 55.271 -99.200 -91.000 TYR 77 0.840 12.068 39.733 59.377 -99.200 -91.000 PHE 84 1.000 15.608 35.238 60.384 -99.200 -91.000 PHE 86 1.000 19.190 43.558 65.471 -99.200 -91.000 PHE 112 1.000 17.474 36.362 26.179 -99.200 -91.000 TYR 114 0.840 10.492 44.178 27.373 -99.200 -91.000 HIS 131 0.900 9.858 45.012 41.343 -99.200 -91.000 TRP 148 1.040 -1.457 48.322 60.562 -99.200 -91.000 TRP6 148 1.020 -1.666 47.309 58.437 -99.200 -91.000 TYR 161 0.840 -0.143 45.447 29.529 -99.200 -91.000 HIS 174 0.900 -9.397 41.356 35.449 -99.200 -91.000 HIS 182 0.900 -1.512 40.336 60.151 -99.200 -91.000 TYR 208 0.840 -2.416 52.994 33.907 -99.200 -91.000 TYR 215 0.840 -8.741 47.412 44.548 -99.200 -91.000 HIS 216 0.900 -9.042 38.532 44.872 -99.200 -91.000 PHE 223 1.000 2.755 36.798 55.773 -99.200 -91.000 TYR 244 0.840 13.929 43.106 31.790 -99.200 -91.000 TRP 247 1.040 6.021 42.247 28.569 -99.200 -91.000 TRP6 247 1.020 4.014 42.871 29.658 -99.200 -91.000 HIS 250 0.900 16.505 35.682 34.073 -99.200 -91.000 PHE 255 1.000 20.541 39.868 37.426 -99.200 -91.000 TYR 260 0.840 34.117 44.023 39.843 -99.200 -91.000 TYR 269 0.840 23.250 44.730 37.079 -99.200 -91.000 TRP 273 1.040 23.537 52.235 29.901 -99.200 -91.000 TRP6 273 1.020 25.827 52.216 29.307 -99.200 -91.000 TYR 293 0.840 28.996 39.423 26.625 -99.200 -91.000 PHE 306 1.000 15.709 39.331 18.224 -99.200 -91.000 TYR 308 0.840 8.863 42.589 20.866 -99.200 -91.000 PHE 326 1.000 24.746 51.746 24.376 -99.200 -91.000 TYR 344 0.840 27.067 45.022 42.645 -99.200 -91.000 TYR 350 0.840 11.371 46.927 48.063 -99.200 -91.000 HIS 352 0.900 19.137 42.757 40.695 -99.200 -91.000 PHE 353 1.000 17.448 44.375 34.808 -99.200 -91.000 PHE 358 1.000 19.704 50.219 41.531 -99.200 -91.000 TRP 360 1.040 21.324 48.622 36.107 -99.200 -91.000 TRP6 360 1.020 22.859 48.437 37.896 -99.200 -91.000 PHE 368 1.000 19.143 58.784 16.862 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1o90A1 GLY 17 HA2 0.00 0.02 0.15 -0.51 4.01 3.68 1o90A1 GLY 17 HA3 -0.01 -0.06 0.23 -0.51 4.01 3.67 1o90A1 ALA 18 H -0.02 0.13 0.16 -0.55 8.40 8.12 1o90A1 ALA 18 HA -0.10 0.13 0.38 -0.75 4.34 4.01 1o90A1 ALA 18 HB3 0.04 -0.02 0.12 -0.04 1.41 1.51 1o90A1 PHE 19 H 0.07 0.43 0.22 -0.55 8.34 8.51 1o90A1 PHE 19 HA 0.05 0.03 0.46 -0.75 4.62 4.41 1o90A1 PHE 19 HB2 0.01 0.00 0.17 -0.04 3.15 3.29 1o90A1 PHE 19 HB3 0.04 0.28 -0.04 -0.04 3.06 3.29 1o90A1 PHE 19 HD2 0.10 0.05 -0.88 -0.04 7.28 6.51 1o90A1 PHE 19 HE2 -0.17 -0.03 -0.13 -0.04 7.38 7.01 1o90A1 PHE 19 HZ 0.01 -0.03 -0.12 -0.04 7.32 7.14 1o90A1 MET 20 H 0.19 0.20 0.22 -0.55 8.47 8.54 1o90A1 MET 20 HA 0.52 0.19 1.24 -0.75 4.52 5.71 1o90A1 MET 20 HB2 0.13 0.03 0.03 -0.04 2.15 2.29 1o90A1 MET 20 HB3 0.16 -0.02 -0.01 -0.04 2.03 2.12 1o90A1 MET 20 HG2 0.03 -0.03 0.05 -0.04 2.63 2.64 1o90A1 MET 20 HG3 -0.03 0.02 -0.13 -0.04 2.56 2.37 1o90A1 MET 20 HE3 -0.06 -0.00 -0.05 -0.04 2.10 1.95 1o90A1 PHE 21 H 0.38 0.54 0.36 -0.55 8.34 9.06 1o90A1 PHE 21 HA -0.21 0.16 0.84 -0.75 4.62 4.65 1o90A1 PHE 21 HB2 -0.45 -0.01 -0.27 -0.04 3.15 2.39 1o90A1 PHE 21 HB3 0.12 -0.09 -0.01 -0.04 3.06 3.04 1o90A1 PHE 21 HD2 -0.63 -0.03 -0.11 -0.04 7.28 6.47 1o90A1 PHE 21 HE2 -0.57 0.16 0.04 -0.04 7.38 6.97 1o90A1 PHE 21 HZ -0.54 0.39 -0.05 -0.04 7.32 7.09 1o90A1 THR 22 H -0.54 0.29 0.25 -0.55 8.28 7.72 1o90A1 THR 22 HA 0.14 0.32 1.20 -0.75 4.39 5.29 1o90A1 THR 22 HB -0.15 -0.01 0.02 -0.04 4.32 4.14 1o90A1 THR 22 HG23 0.01 0.00 -0.19 -0.04 1.22 1.00 1o90A1 SER 23 H 0.13 0.55 0.37 -0.55 8.46 8.97 1o90A1 SER 23 HA 0.11 0.17 0.78 -0.75 4.49 4.79 1o90A1 SER 23 HB2 0.19 -0.03 -0.33 -0.04 3.95 3.74 1o90A1 SER 23 HB3 0.13 0.00 0.01 -0.04 3.93 4.03 1o90A1 GLU 24 H 0.05 0.15 0.22 -0.55 8.60 8.48 1o90A1 GLU 24 HA 0.04 0.31 1.19 -0.75 4.29 5.08 1o90A1 GLU 24 HB2 0.03 0.11 0.24 -0.04 2.09 2.42 1o90A1 GLU 24 HB3 0.02 -0.04 -0.07 -0.04 1.99 1.86 1o90A1 GLU 24 HG2 0.01 -0.06 -0.02 -0.04 2.34 2.24 1o90A1 GLU 24 HG3 0.01 -0.04 -0.25 -0.04 2.34 2.02 1o90A1 SER 25 H 0.05 0.65 0.49 -0.55 8.46 9.10 1o90A1 SER 25 HA 0.07 0.04 0.70 -0.75 4.49 4.54 1o90A1 SER 25 HB2 -0.02 0.09 -0.27 -0.04 3.95 3.71 1o90A1 SER 25 HB3 0.12 0.10 -0.25 -0.04 3.93 3.87 1o90A1 VAL 26 H 0.06 0.21 0.26 -0.55 8.24 8.22 1o90A1 VAL 26 HA 0.06 0.22 1.16 -0.75 4.13 4.82 1o90A1 VAL 26 HB -0.07 0.03 0.25 -0.04 2.12 2.29 1o90A1 VAL 26 HG13 -0.34 -0.02 -0.04 -0.04 0.97 0.53 1o90A1 VAL 26 HG23 -0.17 -0.02 0.07 -0.04 0.95 0.79 1o90A1 GLY 27 H 0.12 0.51 0.35 -0.55 8.43 8.86 1o90A1 GLY 27 HA2 0.06 0.16 0.54 -0.51 4.01 4.25 1o90A1 GLY 27 HA3 0.09 0.15 0.49 -0.51 4.01 4.23 1o90A1 GLU 28 H -0.01 0.27 0.18 -0.55 8.60 8.50 1o90A1 GLU 28 HA -0.09 0.08 0.36 -0.75 4.29 3.88 1o90A1 GLU 28 HB2 0.01 0.11 0.04 -0.04 2.09 2.21 1o90A1 GLU 28 HB3 0.02 0.01 0.05 -0.04 1.99 2.03 1o90A1 GLU 28 HG2 -0.10 0.01 -0.02 -0.04 2.34 2.18 1o90A1 GLU 28 HG3 -0.07 -0.07 0.07 -0.04 2.34 2.23 1o90A1 GLY 29 H 0.07 0.23 -0.56 -0.55 8.43 7.63 1o90A1 GLY 29 HA2 0.29 0.18 0.41 -0.51 4.01 4.37 1o90A1 GLY 29 HA3 0.17 -0.10 -0.36 -0.51 4.01 3.21 1o90A1 HIS 30 H 0.20 0.41 -0.31 -0.55 8.41 8.16 1o90A1 HIS 30 HA 0.13 0.10 0.40 -0.75 4.63 4.50 1o90A1 HIS 30 HB2 0.08 0.05 0.20 -0.04 3.26 3.55 1o90A1 HIS 30 HB3 0.05 -0.04 0.10 -0.04 3.20 3.26 1o90A1 HIS 30 HD2 0.11 0.06 0.03 -0.04 6.97 7.12 1o90A1 HIS 30 HE1 0.03 0.04 0.03 -0.04 7.75 7.81 1o90A1 PRO 31 HA -0.01 0.11 0.30 -0.51 4.44 4.33 1o90A1 PRO 31 HB2 -0.14 0.02 0.08 -0.04 2.28 2.20 1o90A1 PRO 31 HB3 -0.03 0.10 -0.19 -0.04 2.02 1.86 1o90A1 PRO 31 HG2 -0.14 0.06 -0.16 -0.04 2.03 1.74 1o90A1 PRO 31 HG3 -0.03 -0.10 0.01 -0.04 2.03 1.87 1o90A1 PRO 31 HD2 -0.91 0.07 0.16 -0.04 3.68 2.96 1o90A1 PRO 31 HD3 -0.13 0.23 0.18 -0.04 3.65 3.89 1o90A1 ASP 32 H 0.15 0.16 -0.13 -0.55 8.40 8.03 1o90A1 ASP 32 HA 0.07 0.07 0.50 -0.75 4.63 4.51 1o90A1 ASP 32 HB2 0.32 -0.01 0.08 -0.04 2.71 3.05 1o90A1 ASP 32 HB3 0.10 -0.06 0.04 -0.04 2.70 2.73 1o90A1 LYS 33 H 0.25 0.15 -0.24 -0.55 8.42 8.03 1o90A1 LYS 33 HA 0.05 -0.00 0.53 -0.75 4.32 4.14 1o90A1 LYS 33 HB2 0.10 -0.05 0.09 -0.04 1.87 1.97 1o90A1 LYS 33 HB3 0.02 0.11 -0.04 -0.04 1.79 1.84 1o90A1 LYS 33 HG2 -0.06 0.05 0.04 -0.04 1.46 1.44 1o90A1 LYS 33 HG3 -0.02 0.24 0.20 -0.04 1.46 1.84 1o90A1 LYS 33 HD2 0.03 -0.13 -0.08 -0.04 1.69 1.47 1o90A1 LYS 33 HD3 -0.03 -0.06 0.02 -0.04 1.68 1.57 1o90A1 LYS 33 HE2 0.02 -0.08 0.01 -0.04 2.99 2.90 1o90A1 LYS 33 HE3 0.01 -0.02 0.03 -0.04 2.99 2.96 1o90A1 ILE 34 H 0.06 0.44 -0.37 -0.55 8.25 7.82 1o90A1 ILE 34 HA 0.02 0.15 0.43 -0.75 4.18 4.02 1o90A1 ILE 34 HB -0.04 0.09 -0.01 -0.04 1.89 1.89 1o90A1 ILE 34 HG12 0.06 0.21 -0.04 -0.04 1.49 1.69 1o90A1 ILE 34 HG13 0.06 0.12 -0.51 -0.04 1.21 0.83 1o90A1 ILE 34 HG23 -0.17 -0.03 -0.21 -0.04 0.93 0.49 1o90A1 ILE 34 HD13 -0.11 -0.04 -0.10 -0.04 0.88 0.60 1o90A1 CYS 35 H 0.02 0.41 -0.26 -0.55 8.50 8.12 1o90A1 CYS 35 HA 0.01 0.02 0.35 -0.75 4.58 4.20 1o90A1 CYS 35 HB2 0.03 0.23 -0.26 -0.04 2.97 2.93 1o90A1 CYS 35 HB3 0.02 -0.06 -0.16 -0.04 2.97 2.72 1o90A1 ASP 36 H 0.04 0.47 -0.13 -0.55 8.40 8.23 1o90A1 ASP 36 HA 0.04 -0.07 0.43 -0.75 4.63 4.27 1o90A1 ASP 36 HB2 0.04 0.16 0.26 -0.04 2.71 3.14 1o90A1 ASP 36 HB3 0.07 0.06 0.10 -0.04 2.70 2.89 1o90A1 GLN 37 H 0.03 0.53 -0.30 -0.55 8.47 8.18 1o90A1 GLN 37 HA 0.03 0.04 0.50 -0.75 4.36 4.18 1o90A1 GLN 37 HB2 0.02 0.11 0.16 -0.04 2.15 2.39 1o90A1 GLN 37 HB3 0.01 -0.06 -0.04 -0.04 2.02 1.90 1o90A1 GLN 37 HG2 0.01 0.01 -0.07 -0.04 2.40 2.30 1o90A1 GLN 37 HG3 0.01 0.20 0.04 -0.04 2.39 2.60 1o90A1 GLN 37 HE21 0.11 -0.01 -0.07 -0.04 6.97 6.96 1o90A1 GLN 37 HE22 0.04 -0.01 -0.10 -0.04 7.69 7.58 1o90A1 ILE 38 H 0.02 0.68 -0.08 -0.55 8.25 8.31 1o90A1 ILE 38 HA 0.03 0.06 0.36 -0.75 4.18 3.88 1o90A1 ILE 38 HB 0.02 0.01 0.08 -0.04 1.89 1.96 1o90A1 ILE 38 HG12 0.01 -0.02 0.01 -0.04 1.49 1.44 1o90A1 ILE 38 HG13 -0.01 0.37 0.08 -0.04 1.21 1.61 1o90A1 ILE 38 HG23 0.04 -0.02 -0.19 -0.04 0.93 0.73 1o90A1 ILE 38 HD13 -0.03 -0.04 -0.15 -0.04 0.88 0.62 1o90A1 SER 39 H 0.03 0.62 -0.31 -0.55 8.46 8.26 1o90A1 SER 39 HA 0.03 0.02 0.24 -0.75 4.49 4.03 1o90A1 SER 39 HB2 0.03 0.08 -0.01 -0.04 3.95 4.01 1o90A1 SER 39 HB3 0.01 0.05 -0.12 -0.04 3.93 3.83 1o90A1 ASP 40 H 0.05 0.50 -0.30 -0.55 8.40 8.10 1o90A1 ASP 40 HA 0.06 0.00 0.52 -0.75 4.63 4.46 1o90A1 ASP 40 HB2 0.07 0.22 0.10 -0.04 2.71 3.06 1o90A1 ASP 40 HB3 0.13 -0.18 -0.46 -0.04 2.70 2.15 1o90A1 ALA 41 H 0.05 0.53 -0.32 -0.55 8.40 8.12 1o90A1 ALA 41 HA 0.04 -0.02 0.42 -0.75 4.34 4.03 1o90A1 ALA 41 HB3 0.03 0.06 0.07 -0.04 1.41 1.52 1o90A1 VAL 42 H 0.08 0.48 -0.30 -0.55 8.24 7.96 1o90A1 VAL 42 HA 0.15 0.01 0.35 -0.75 4.13 3.89 1o90A1 VAL 42 HB 0.10 0.17 -0.01 -0.04 2.12 2.34 1o90A1 VAL 42 HG13 0.29 -0.02 -0.17 -0.04 0.97 1.03 1o90A1 VAL 42 HG23 0.16 0.08 -0.08 -0.04 0.95 1.08 1o90A1 LEU 43 H 0.08 0.22 -0.50 -0.55 8.37 7.63 1o90A1 LEU 43 HA 0.06 0.04 0.33 -0.75 4.35 4.03 1o90A1 LEU 43 HB2 0.00 0.03 -0.02 -0.04 1.64 1.61 1o90A1 LEU 43 HB3 0.10 0.12 0.13 -0.04 1.64 1.95 1o90A1 LEU 43 HG 0.22 -0.00 -0.23 -0.04 1.64 1.59 1o90A1 LEU 43 HD13 0.01 -0.02 -0.04 -0.04 0.93 0.84 1o90A1 LEU 43 HD23 -0.38 -0.02 -0.15 -0.04 0.89 0.30 1o90A1 ASP 44 H 0.13 0.56 -0.16 -0.55 8.40 8.38 1o90A1 ASP 44 HA 0.15 0.00 0.41 -0.75 4.63 4.44 1o90A1 ASP 44 HB2 0.07 0.12 0.17 -0.04 2.71 3.03 1o90A1 ASP 44 HB3 0.05 0.05 -0.02 -0.04 2.70 2.74 1o90A1 ALA 45 H 0.08 0.59 -0.20 -0.55 8.40 8.32 1o90A1 ALA 45 HA -0.00 0.02 0.27 -0.75 4.34 3.87 1o90A1 ALA 45 HB3 -0.00 0.01 0.02 -0.04 1.41 1.40 1o90A1 HIS 46 H 0.22 0.28 -0.76 -0.55 8.41 7.61 1o90A1 HIS 46 HA 0.01 0.07 0.62 -0.75 4.63 4.58 1o90A1 HIS 46 HB2 0.06 0.14 0.04 -0.04 3.26 3.46 1o90A1 HIS 46 HB3 0.05 -0.04 -0.13 -0.04 3.20 3.04 1o90A1 HIS 46 HD2 0.05 0.32 -0.09 -0.04 6.97 7.20 1o90A1 HIS 46 HE1 0.11 0.04 -0.12 -0.04 7.75 7.73 1o90A1 LEU 47 H 0.17 0.48 0.02 -0.55 8.37 8.49 1o90A1 LEU 47 HA 0.14 0.11 0.21 -0.75 4.35 4.05 1o90A1 LEU 47 HB2 0.15 0.01 0.15 -0.04 1.64 1.91 1o90A1 LEU 47 HB3 0.11 0.09 -0.05 -0.04 1.64 1.74 1o90A1 LEU 47 HG 0.22 0.11 0.06 -0.04 1.64 1.99 1o90A1 LEU 47 HD13 0.22 0.03 0.01 -0.04 0.93 1.16 1o90A1 LEU 47 HD23 0.37 -0.03 -0.31 -0.04 0.89 0.87 1o90A1 LYS 48 H 0.05 0.42 -0.34 -0.55 8.42 8.00 1o90A1 LYS 48 HA 0.02 0.06 0.36 -0.75 4.32 4.01 1o90A1 LYS 48 HB2 -0.00 0.06 -0.04 -0.04 1.87 1.84 1o90A1 LYS 48 HB3 -0.00 -0.04 0.01 -0.04 1.79 1.71 1o90A1 LYS 48 HG2 0.01 -0.02 0.02 -0.04 1.46 1.43 1o90A1 LYS 48 HG3 0.03 0.22 0.01 -0.04 1.46 1.68 1o90A1 LYS 48 HD2 -0.01 -0.02 -0.08 -0.04 1.69 1.54 1o90A1 LYS 48 HD3 -0.01 -0.02 -0.02 -0.04 1.68 1.59 1o90A1 LYS 48 HE2 -0.00 0.03 -0.00 -0.04 2.99 2.97 1o90A1 LYS 48 HE3 0.01 -0.05 -0.09 -0.04 2.99 2.81 1o90A1 GLN 49 H 0.01 0.28 -0.47 -0.55 8.47 7.74 1o90A1 GLN 49 HA -0.00 0.19 0.95 -0.75 4.36 4.74 1o90A1 GLN 49 HB2 -0.05 0.02 0.04 -0.04 2.15 2.12 1o90A1 GLN 49 HB3 -0.03 -0.05 0.17 -0.04 2.02 2.08 1o90A1 GLN 49 HG2 -0.03 0.02 -0.05 -0.04 2.40 2.30 1o90A1 GLN 49 HG3 -0.04 -0.01 -0.19 -0.04 2.39 2.10 1o90A1 GLN 49 HE21 -0.09 0.16 0.06 -0.04 6.97 7.06 1o90A1 GLN 49 HE22 -0.07 -0.02 -0.01 -0.04 7.69 7.55 1o90A1 ASP 50 H 0.05 0.34 -0.22 -0.55 8.40 8.02 1o90A1 ASP 50 HA 0.04 0.11 0.57 -0.75 4.63 4.60 1o90A1 ASP 50 HB2 0.04 0.27 -0.25 -0.04 2.71 2.74 1o90A1 ASP 50 HB3 0.09 -0.04 0.04 -0.04 2.70 2.75 1o90A1 PRO 51 HA 0.11 0.14 0.57 -0.51 4.44 4.76 1o90A1 PRO 51 HB2 0.03 -0.05 0.02 -0.04 2.28 2.24 1o90A1 PRO 51 HB3 0.00 0.04 0.17 -0.04 2.02 2.19 1o90A1 PRO 51 HG2 0.02 -0.02 0.04 -0.04 2.03 2.03 1o90A1 PRO 51 HG3 0.03 0.28 0.10 -0.04 2.03 2.40 1o90A1 PRO 51 HD2 0.04 0.05 0.12 -0.04 3.68 3.84 1o90A1 PRO 51 HD3 0.03 0.18 -0.10 -0.04 3.65 3.72 1o90A1 ASN 52 H 0.10 0.02 -0.71 -0.55 8.53 7.40 1o90A1 ASN 52 HA 0.29 0.20 0.83 -0.75 4.76 5.33 1o90A1 ASN 52 HB2 0.08 -0.01 -0.02 -0.04 2.88 2.88 1o90A1 ASN 52 HB3 0.10 -0.02 0.12 -0.04 2.79 2.94 1o90A1 ASN 52 HD21 0.05 0.02 -0.08 -0.04 7.03 6.98 1o90A1 ASN 52 HD22 0.05 0.01 -0.05 -0.04 7.74 7.71 1o90A1 ALA 53 H 0.14 0.55 -0.13 -0.55 8.40 8.41 1o90A1 ALA 53 HA 0.07 0.03 0.47 -0.75 4.34 4.15 1o90A1 ALA 53 HB3 0.15 -0.01 -0.03 -0.04 1.41 1.48 1o90A1 LYS 54 H -0.01 0.83 0.33 -0.55 8.42 9.02 1o90A1 LYS 54 HA -0.13 0.05 0.80 -0.75 4.32 4.29 1o90A1 LYS 54 HB2 -0.04 0.12 0.31 -0.04 1.87 2.23 1o90A1 LYS 54 HB3 -0.07 -0.09 0.10 -0.04 1.79 1.69 1o90A1 LYS 54 HG2 -0.06 -0.03 0.04 -0.04 1.46 1.36 1o90A1 LYS 54 HG3 -0.12 -0.06 0.04 -0.04 1.46 1.28 1o90A1 LYS 54 HD2 -0.08 0.11 -0.27 -0.04 1.69 1.40 1o90A1 LYS 54 HD3 -0.02 0.05 0.04 -0.04 1.68 1.70 1o90A1 LYS 54 HE2 -0.04 -0.04 -0.02 -0.04 2.99 2.85 1o90A1 LYS 54 HE3 -0.11 -0.09 -0.04 -0.04 2.99 2.71 1o90A1 VAL 55 H -0.14 0.17 0.15 -0.55 8.24 7.87 1o90A1 VAL 55 HA -0.13 0.15 1.00 -0.75 4.13 4.39 1o90A1 VAL 55 HB -0.10 -0.05 0.01 -0.04 2.12 1.94 1o90A1 VAL 55 HG13 -0.09 0.03 -0.23 -0.04 0.97 0.64 1o90A1 VAL 55 HG23 -0.17 0.03 -0.30 -0.04 0.95 0.47 1o90A1 ALA 56 H -0.09 0.22 -0.03 -0.55 8.40 7.95 1o90A1 ALA 56 HA -0.08 0.23 0.78 -0.75 4.34 4.51 1o90A1 ALA 56 HB3 -0.07 0.04 0.13 -0.04 1.41 1.47 1o90A1 CYS 57 H -0.06 0.61 0.24 -0.55 8.50 8.74 1o90A1 CYS 57 HA -0.05 0.08 0.97 -0.75 4.58 4.83 1o90A1 CYS 57 HB2 -0.04 0.26 0.21 -0.04 2.97 3.36 1o90A1 CYS 57 HB3 -0.05 -0.10 -0.15 -0.04 2.97 2.63 1o90A1 GLU 58 H -0.03 0.58 0.26 -0.55 8.60 8.87 1o90A1 GLU 58 HA -0.01 0.10 0.63 -0.75 4.29 4.25 1o90A1 GLU 58 HB2 -0.01 -0.05 0.11 -0.04 2.09 2.10 1o90A1 GLU 58 HB3 -0.02 0.10 -0.15 -0.04 1.99 1.88 1o90A1 GLU 58 HG2 -0.03 -0.04 -0.14 -0.04 2.34 2.09 1o90A1 GLU 58 HG3 -0.02 -0.01 -0.23 -0.04 2.34 2.04 1o90A1 THR 59 H 0.00 0.13 0.19 -0.55 8.28 8.06 1o90A1 THR 59 HA 0.00 0.38 1.18 -0.75 4.39 5.21 1o90A1 THR 59 HB 0.01 -0.10 0.03 -0.04 4.32 4.22 1o90A1 THR 59 HG23 0.02 0.03 -0.15 -0.04 1.22 1.07 1o90A1 VAL 60 H 0.02 0.57 0.38 -0.55 8.24 8.65 1o90A1 VAL 60 HA 0.02 0.34 0.99 -0.75 4.13 4.72 1o90A1 VAL 60 HB 0.01 -0.05 0.15 -0.04 2.12 2.19 1o90A1 VAL 60 HG13 0.01 0.03 -0.01 -0.04 0.97 0.96 1o90A1 VAL 60 HG23 -0.00 -0.02 -0.15 -0.04 0.95 0.74 1o90A1 CYS 61 H 0.03 0.49 0.37 -0.55 8.50 8.85 1o90A1 CYS 61 HA 0.09 0.44 1.14 -0.75 4.58 5.49 1o90A1 CYS 61 HB2 0.28 -0.02 0.04 -0.04 2.97 3.23 1o90A1 CYS 61 HB3 0.08 -0.04 -0.14 -0.04 2.97 2.83 1o90A1 LYS 62 H 0.09 0.43 0.13 -0.55 8.42 8.51 1o90A1 LYS 62 HA 0.02 0.03 0.50 -0.75 4.32 4.11 1o90A1 LYS 62 HB2 0.01 0.10 -0.10 -0.04 1.87 1.83 1o90A1 LYS 62 HB3 -0.01 -0.01 0.04 -0.04 1.79 1.77 1o90A1 LYS 62 HG2 -0.03 -0.02 -0.15 -0.04 1.46 1.22 1o90A1 LYS 62 HG3 -0.02 -0.02 -0.13 -0.04 1.46 1.26 1o90A1 LYS 62 HD2 -0.01 0.16 0.13 -0.04 1.69 1.92 1o90A1 LYS 62 HD3 -0.01 -0.08 0.00 -0.04 1.68 1.55 1o90A1 LYS 62 HE2 -0.02 -0.05 0.04 -0.04 2.99 2.92 1o90A1 LYS 62 HE3 -0.02 -0.06 -0.01 -0.04 2.99 2.85 1o90A1 THR 63 H -0.06 0.29 0.22 -0.55 8.28 8.18 1o90A1 THR 63 HA -0.31 0.20 0.45 -0.75 4.39 3.97 1o90A1 THR 63 HB -0.13 0.07 0.17 -0.04 4.32 4.38 1o90A1 THR 63 HG23 -0.13 0.01 -0.04 -0.04 1.22 1.02 1o90A1 GLY 64 H -1.67 0.21 0.10 -0.55 8.43 6.52 1o90A1 GLY 64 HA2 -0.91 -0.09 0.34 -0.51 4.01 2.85 1o90A1 GLY 64 HA3 -0.40 0.07 0.41 -0.51 4.01 3.57 1o90A1 MET 65 H -0.15 0.00 -0.41 -0.55 8.47 7.37 1o90A1 MET 65 HA 0.01 0.15 0.66 -0.75 4.52 4.58 1o90A1 MET 65 HB2 -0.06 0.19 -0.13 -0.04 2.15 2.11 1o90A1 MET 65 HB3 -0.02 0.01 0.13 -0.04 2.03 2.11 1o90A1 MET 65 HG2 0.01 -0.03 -0.16 -0.04 2.63 2.41 1o90A1 MET 65 HG3 -0.01 -0.02 0.08 -0.04 2.56 2.57 1o90A1 MET 65 HE3 0.00 -0.03 -0.11 -0.04 2.10 1.92 1o90A1 VAL 66 H 0.10 1.07 0.35 -0.55 8.24 9.21 1o90A1 VAL 66 HA 0.11 0.24 1.11 -0.75 4.13 4.83 1o90A1 VAL 66 HB 0.12 -0.01 0.07 -0.04 2.12 2.26 1o90A1 VAL 66 HG13 0.05 -0.01 -0.24 -0.04 0.97 0.73 1o90A1 VAL 66 HG23 0.24 -0.03 -0.20 -0.04 0.95 0.92 1o90A1 LEU 67 H 0.04 0.89 0.41 -0.55 8.37 9.17 1o90A1 LEU 67 HA 0.01 0.33 1.07 -0.75 4.35 5.01 1o90A1 LEU 67 HB2 0.01 0.02 0.00 -0.04 1.64 1.63 1o90A1 LEU 67 HB3 0.01 -0.10 0.16 -0.04 1.64 1.67 1o90A1 LEU 67 HG 0.00 -0.00 -0.02 -0.04 1.64 1.58 1o90A1 LEU 67 HD13 -0.00 -0.01 -0.06 -0.04 0.93 0.81 1o90A1 LEU 67 HD23 -0.01 0.02 -0.17 -0.04 0.89 0.68 1o90A1 LEU 68 H -0.01 0.64 0.30 -0.55 8.37 8.76 1o90A1 LEU 68 HA -0.01 0.17 0.92 -0.75 4.35 4.67 1o90A1 LEU 68 HB2 0.00 0.01 -0.02 -0.04 1.64 1.59 1o90A1 LEU 68 HB3 -0.08 -0.14 0.15 -0.04 1.64 1.53 1o90A1 LEU 68 HG 0.03 -0.01 -0.11 -0.04 1.64 1.51 1o90A1 LEU 68 HD13 0.01 -0.01 -0.10 -0.04 0.93 0.78 1o90A1 LEU 68 HD23 -0.05 0.02 -0.11 -0.04 0.89 0.72 1o90A1 CYS 69 H -0.03 0.69 0.38 -0.55 8.50 8.99 1o90A1 CYS 69 HA -0.05 0.18 0.76 -0.75 4.58 4.71 1o90A1 CYS 69 HB2 -0.03 0.00 0.01 -0.04 2.97 2.91 1o90A1 CYS 69 HB3 -0.03 -0.02 0.08 -0.04 2.97 2.96 1o90A1 GLY 70 H -0.05 0.22 0.18 -0.55 8.43 8.23 1o90A1 GLY 70 HA2 -0.05 0.07 0.50 -0.51 4.01 4.02 1o90A1 GLY 70 HA3 -0.06 0.14 0.98 -0.51 4.01 4.57 1o90A1 GLU 71 H -0.05 0.77 0.34 -0.55 8.60 9.11 1o90A1 GLU 71 HA -0.04 0.22 0.99 -0.75 4.29 4.70 1o90A1 GLU 71 HB2 -0.04 -0.03 0.16 -0.04 2.09 2.13 1o90A1 GLU 71 HB3 -0.04 -0.02 0.12 -0.04 1.99 2.01 1o90A1 GLU 71 HG2 -0.03 0.03 0.03 -0.04 2.34 2.33 1o90A1 GLU 71 HG3 -0.03 -0.02 0.01 -0.04 2.34 2.26 1o90A1 ILE 72 H -0.04 0.66 0.26 -0.55 8.25 8.59 1o90A1 ILE 72 HA -0.07 0.28 1.11 -0.75 4.18 4.74 1o90A1 ILE 72 HB -0.22 0.08 -0.08 -0.04 1.89 1.62 1o90A1 ILE 72 HG12 -0.04 0.03 -0.08 -0.04 1.49 1.36 1o90A1 ILE 72 HG13 0.01 -0.02 0.03 -0.04 1.21 1.19 1o90A1 ILE 72 HG23 -0.13 -0.10 -0.23 -0.04 0.93 0.43 1o90A1 ILE 72 HD13 -0.15 -0.01 -0.18 -0.04 0.88 0.51 1o90A1 THR 73 H -0.04 0.38 0.18 -0.55 8.28 8.24 1o90A1 THR 73 HA 0.02 -0.03 0.73 -0.75 4.39 4.35 1o90A1 THR 73 HB -0.02 0.01 0.24 -0.04 4.32 4.51 1o90A1 THR 73 HG23 0.01 0.00 -0.15 -0.04 1.22 1.04 1o90A1 SER 74 H 0.07 0.40 0.00 -0.55 8.46 8.39 1o90A1 SER 74 HA 0.08 0.11 0.56 -0.75 4.49 4.49 1o90A1 SER 74 HB2 0.18 -0.01 -0.25 -0.04 3.95 3.84 1o90A1 SER 74 HB3 0.35 0.05 -0.16 -0.04 3.93 4.13 1o90A1 MET 75 H 0.08 0.16 -0.03 -0.55 8.47 8.13 1o90A1 MET 75 HA 0.04 0.19 0.88 -0.75 4.52 4.88 1o90A1 MET 75 HB2 0.04 0.17 -0.02 -0.04 2.15 2.30 1o90A1 MET 75 HB3 0.03 -0.02 0.22 -0.04 2.03 2.22 1o90A1 MET 75 HG2 0.02 -0.02 0.08 -0.04 2.63 2.66 1o90A1 MET 75 HG3 0.02 -0.00 0.07 -0.04 2.56 2.61 1o90A1 MET 75 HE3 0.02 -0.01 0.02 -0.04 2.10 2.09 1o90A1 ALA 76 H 0.02 0.32 -0.06 -0.55 8.40 8.12 1o90A1 ALA 76 HA -0.04 0.15 0.62 -0.75 4.34 4.31 1o90A1 ALA 76 HB3 -0.12 0.03 -0.12 -0.04 1.41 1.16 1o90A1 MET 77 H -0.07 0.20 0.09 -0.55 8.47 8.14 1o90A1 MET 77 HA -0.07 0.13 0.83 -0.75 4.52 4.66 1o90A1 MET 77 HB2 -0.05 0.01 0.17 -0.04 2.15 2.24 1o90A1 MET 77 HB3 -0.04 -0.00 0.00 -0.04 2.03 1.94 1o90A1 MET 77 HG2 -0.01 0.03 -0.02 -0.04 2.63 2.59 1o90A1 MET 77 HG3 -0.02 -0.03 -0.11 -0.04 2.56 2.35 1o90A1 MET 77 HE3 -0.01 0.01 0.00 -0.04 2.10 2.06 1o90A1 ILE 78 H -0.18 0.26 0.14 -0.55 8.25 7.92 1o90A1 ILE 78 HA -0.22 0.22 0.95 -0.75 4.18 4.38 1o90A1 ILE 78 HB -0.59 0.03 -0.05 -0.04 1.89 1.24 1o90A1 ILE 78 HG12 -0.38 -0.03 -0.31 -0.04 1.49 0.72 1o90A1 ILE 78 HG13 -0.27 0.10 -0.19 -0.04 1.21 0.81 1o90A1 ILE 78 HG23 -0.62 -0.05 -0.38 -0.04 0.93 -0.15 1o90A1 ILE 78 HD13 -0.73 0.00 -0.50 -0.04 0.88 -0.39 1o90A1 ASP 79 H -0.16 0.25 0.04 -0.55 8.40 7.99 1o90A1 ASP 79 HA -0.05 0.19 0.76 -0.75 4.63 4.77 1o90A1 ASP 79 HB2 -0.04 0.13 0.07 -0.04 2.71 2.83 1o90A1 ASP 79 HB3 -0.04 -0.00 0.24 -0.04 2.70 2.86 1o90A1 TYR 80 H -0.03 0.38 0.01 -0.55 8.29 8.09 1o90A1 TYR 80 HA 0.04 0.06 0.28 -0.75 4.56 4.18 1o90A1 TYR 80 HB2 0.04 0.03 0.07 -0.04 3.06 3.15 1o90A1 TYR 80 HB3 0.04 0.02 -0.03 -0.04 2.98 2.97 1o90A1 TYR 80 HD2 0.06 -0.01 -0.01 -0.04 7.15 7.14 1o90A1 TYR 80 HE2 0.12 0.05 -0.07 -0.04 6.85 6.91 1o90A1 GLN 81 H 0.12 0.11 -0.24 -0.55 8.47 7.91 1o90A1 GLN 81 HA 0.10 0.11 0.39 -0.75 4.36 4.21 1o90A1 GLN 81 HB2 0.07 -0.06 0.09 -0.04 2.15 2.20 1o90A1 GLN 81 HB3 0.07 0.09 0.02 -0.04 2.02 2.16 1o90A1 GLN 81 HG2 0.09 -0.07 0.07 -0.04 2.40 2.45 1o90A1 GLN 81 HG3 0.06 0.05 0.06 -0.04 2.39 2.52 1o90A1 GLN 81 HE21 0.05 0.30 0.18 -0.04 6.97 7.46 1o90A1 GLN 81 HE22 0.06 -0.07 0.08 -0.04 7.69 7.72 1o90A1 ARG 82 H 0.05 0.10 -0.23 -0.55 8.46 7.83 1o90A1 ARG 82 HA 0.07 0.07 0.37 -0.75 4.34 4.09 1o90A1 ARG 82 HB2 0.02 -0.05 0.12 -0.04 1.90 1.96 1o90A1 ARG 82 HB3 -0.00 0.12 0.17 -0.04 1.80 2.05 1o90A1 ARG 82 HG2 0.01 0.02 -0.11 -0.04 1.67 1.54 1o90A1 ARG 82 HG3 0.04 -0.01 0.04 -0.04 1.67 1.70 1o90A1 ARG 82 HD2 0.01 0.03 -0.01 -0.04 3.22 3.21 1o90A1 ARG 82 HD3 0.01 -0.01 0.02 -0.04 3.22 3.20 1o90A1 VAL 83 H 0.02 0.46 -0.08 -0.55 8.24 8.09 1o90A1 VAL 83 HA 0.01 0.07 0.33 -0.75 4.13 3.79 1o90A1 VAL 83 HB 0.03 0.02 -0.08 -0.04 2.12 2.05 1o90A1 VAL 83 HG13 -0.06 0.06 -0.09 -0.04 0.97 0.85 1o90A1 VAL 83 HG23 0.10 0.00 -0.17 -0.04 0.95 0.85 1o90A1 VAL 84 H 0.09 0.45 -0.34 -0.55 8.24 7.89 1o90A1 VAL 84 HA 0.06 0.07 0.55 -0.75 4.13 4.06 1o90A1 VAL 84 HB 0.10 0.10 0.11 -0.04 2.12 2.39 1o90A1 VAL 84 HG13 0.07 -0.02 -0.20 -0.04 0.97 0.78 1o90A1 VAL 84 HG23 0.11 0.02 -0.08 -0.04 0.95 0.96 1o90A1 ARG 85 H 0.10 0.65 0.05 -0.55 8.46 8.72 1o90A1 ARG 85 HA 0.17 -0.00 0.47 -0.75 4.34 4.23 1o90A1 ARG 85 HB2 0.17 0.04 0.14 -0.04 1.90 2.21 1o90A1 ARG 85 HB3 0.37 -0.01 0.06 -0.04 1.80 2.18 1o90A1 ARG 85 HG2 0.18 0.03 0.08 -0.04 1.67 1.92 1o90A1 ARG 85 HG3 0.13 -0.02 0.13 -0.04 1.67 1.87 1o90A1 ARG 85 HD2 0.11 -0.10 -0.06 -0.04 3.22 3.13 1o90A1 ARG 85 HD3 0.12 0.11 0.05 -0.04 3.22 3.47 1o90A1 ASP 86 H 0.05 0.61 -0.16 -0.55 8.40 8.35 1o90A1 ASP 86 HA -0.11 0.03 0.37 -0.75 4.63 4.17 1o90A1 ASP 86 HB2 0.00 0.09 0.09 -0.04 2.71 2.85 1o90A1 ASP 86 HB3 -0.03 -0.03 -0.05 -0.04 2.70 2.55 1o90A1 THR 87 H 0.01 0.30 -0.47 -0.55 8.28 7.57 1o90A1 THR 87 HA 0.00 0.05 0.41 -0.75 4.39 4.10 1o90A1 THR 87 HB 0.01 0.12 0.08 -0.04 4.32 4.49 1o90A1 THR 87 HG23 0.01 -0.03 -0.18 -0.04 1.22 0.98 1o90A1 ILE 88 H 0.02 0.40 -0.25 -0.55 8.25 7.87 1o90A1 ILE 88 HA 0.03 0.06 0.43 -0.75 4.18 3.94 1o90A1 ILE 88 HB 0.15 0.10 0.12 -0.04 1.89 2.22 1o90A1 ILE 88 HG12 -0.22 -0.05 -0.06 -0.04 1.49 1.13 1o90A1 ILE 88 HG13 -0.01 0.30 0.05 -0.04 1.21 1.52 1o90A1 ILE 88 HG23 0.06 -0.01 -0.10 -0.04 0.93 0.84 1o90A1 ILE 88 HD13 0.05 -0.04 -0.15 -0.04 0.88 0.69 1o90A1 LYS 89 H -0.14 0.46 -0.25 -0.55 8.42 7.95 1o90A1 LYS 89 HA -0.27 0.01 0.32 -0.75 4.32 3.63 1o90A1 LYS 89 HB2 -1.58 -0.00 0.08 -0.04 1.87 0.32 1o90A1 LYS 89 HB3 -0.42 0.14 0.15 -0.04 1.79 1.62 1o90A1 LYS 89 HG2 -0.31 0.05 -0.27 -0.04 1.46 0.89 1o90A1 LYS 89 HG3 -0.75 -0.06 -0.05 -0.04 1.46 0.55 1o90A1 LYS 89 HD2 -0.85 -0.04 -0.05 -0.04 1.69 0.70 1o90A1 LYS 89 HD3 -0.33 0.02 -0.04 -0.04 1.68 1.30 1o90A1 LYS 89 HE2 -0.12 0.04 -0.07 -0.04 2.99 2.79 1o90A1 LYS 89 HE3 -0.07 -0.03 -0.05 -0.04 2.99 2.80 1o90A1 HIS 90 H -0.00 0.54 -0.15 -0.55 8.41 8.26 1o90A1 HIS 90 HA -0.09 0.03 0.32 -0.75 4.63 4.13 1o90A1 HIS 90 HB2 -0.06 -0.00 0.08 -0.04 3.26 3.24 1o90A1 HIS 90 HB3 -0.04 0.09 0.11 -0.04 3.20 3.31 1o90A1 HIS 90 HD2 -0.01 0.01 -0.26 -0.04 6.97 6.66 1o90A1 HIS 90 HE1 -0.01 -0.01 -0.06 -0.04 7.75 7.63 1o90A1 ILE 91 H 0.05 0.33 -0.43 -0.55 8.25 7.66 1o90A1 ILE 91 HA -0.05 0.01 0.34 -0.75 4.18 3.72 1o90A1 ILE 91 HB 0.10 0.06 0.06 -0.04 1.89 2.07 1o90A1 ILE 91 HG12 0.09 -0.07 -0.03 -0.04 1.49 1.45 1o90A1 ILE 91 HG13 0.12 0.22 0.07 -0.04 1.21 1.57 1o90A1 ILE 91 HG23 -0.01 -0.05 -0.28 -0.04 0.93 0.55 1o90A1 ILE 91 HD13 0.06 -0.02 -0.04 -0.04 0.88 0.84 1o90A1 GLY 92 H -0.10 0.28 -0.53 -0.55 8.43 7.53 1o90A1 GLY 92 HA2 -0.13 0.07 0.23 -0.51 4.01 3.67 1o90A1 GLY 92 HA3 -0.24 0.18 0.92 -0.51 4.01 4.37 1o90A1 TYR 93 H 0.04 0.47 0.07 -0.55 8.29 8.32 1o90A1 TYR 93 HA 0.11 0.13 0.89 -0.75 4.56 4.94 1o90A1 TYR 93 HB2 0.07 0.05 0.05 -0.04 3.06 3.19 1o90A1 TYR 93 HB3 0.24 -0.02 -0.28 -0.04 2.98 2.88 1o90A1 TYR 93 HD2 0.03 0.04 -0.07 -0.04 7.15 7.11 1o90A1 TYR 93 HE2 0.04 0.11 -0.03 -0.04 6.85 6.94 1o90A1 ASP 94 H 0.18 0.20 0.12 -0.55 8.40 8.36 1o90A1 ASP 94 HA 0.50 0.02 0.96 -0.75 4.63 5.36 1o90A1 ASP 94 HB2 0.27 -0.02 0.00 -0.04 2.71 2.92 1o90A1 ASP 94 HB3 0.35 0.05 -0.07 -0.04 2.70 2.98 1o90A1 ASP 95 H 0.16 0.08 0.21 -0.55 8.40 8.30 1o90A1 ASP 95 HA 0.07 0.22 0.97 -0.75 4.63 5.14 1o90A1 ASP 95 HB2 0.09 0.06 0.09 -0.04 2.71 2.91 1o90A1 ASP 95 HB3 0.07 -0.13 0.08 -0.04 2.70 2.68 1o90A1 SER 96 H 0.05 0.15 0.12 -0.55 8.46 8.24 1o90A1 SER 96 HA 0.04 0.11 0.31 -0.75 4.49 4.20 1o90A1 SER 96 HB2 0.03 -0.07 0.16 -0.04 3.95 4.02 1o90A1 SER 96 HB3 0.01 0.07 -0.00 -0.04 3.93 3.97 1o90A1 ALA 97 H 0.05 0.10 0.03 -0.55 8.40 8.03 1o90A1 ALA 97 HA 0.04 0.10 0.28 -0.75 4.34 4.01 1o90A1 ALA 97 HB3 0.05 0.01 0.07 -0.04 1.41 1.50 1o90A1 LYS 98 H 0.12 0.09 -0.75 -0.55 8.42 7.33 1o90A1 LYS 98 HA 0.14 0.15 0.42 -0.75 4.32 4.28 1o90A1 LYS 98 HB2 0.30 0.17 0.07 -0.04 1.87 2.37 1o90A1 LYS 98 HB3 0.31 0.00 0.12 -0.04 1.79 2.18 1o90A1 LYS 98 HG2 0.09 0.07 -0.02 -0.04 1.46 1.55 1o90A1 LYS 98 HG3 0.11 -0.18 -0.07 -0.04 1.46 1.27 1o90A1 LYS 98 HD2 0.12 -0.30 0.19 -0.04 1.69 1.66 1o90A1 LYS 98 HD3 0.01 0.21 0.15 -0.04 1.68 2.01 1o90A1 LYS 98 HE2 0.03 0.10 0.01 -0.04 2.99 3.09 1o90A1 LYS 98 HE3 0.06 -0.12 0.02 -0.04 2.99 2.91 1o90A1 GLY 99 H 0.09 0.38 -0.35 -0.55 8.43 8.00 1o90A1 GLY 99 HA2 -0.01 0.01 0.20 -0.51 4.01 3.71 1o90A1 GLY 99 HA3 0.07 0.16 0.55 -0.51 4.01 4.28 1o90A1 PHE 100 H 0.17 0.27 -0.16 -0.55 8.34 8.07 1o90A1 PHE 100 HA -0.06 -0.05 0.44 -0.75 4.62 4.19 1o90A1 PHE 100 HB2 -0.86 0.06 -0.49 -0.04 3.15 1.82 1o90A1 PHE 100 HB3 -0.33 -0.01 -0.16 -0.04 3.06 2.51 1o90A1 PHE 100 HD2 -0.20 0.05 -0.03 -0.04 7.28 7.06 1o90A1 PHE 100 HE2 -0.06 0.05 -0.06 -0.04 7.38 7.27 1o90A1 PHE 100 HZ -0.04 -0.00 -0.19 -0.04 7.32 7.04 1o90A1 ASP 101 H 0.21 0.17 -0.03 -0.55 8.40 8.20 1o90A1 ASP 101 HA 0.27 0.24 0.37 -0.75 4.63 4.75 1o90A1 ASP 101 HB2 0.08 0.12 -0.55 -0.04 2.71 2.31 1o90A1 ASP 101 HB3 0.02 -0.09 -0.00 -0.04 2.70 2.59 1o90A1 PHE 102 H 0.56 0.70 0.12 -0.55 8.34 9.17 1o90A1 PHE 102 HA 0.15 0.01 0.33 -0.75 4.62 4.35 1o90A1 PHE 102 HB2 0.08 -0.00 0.19 -0.04 3.15 3.38 1o90A1 PHE 102 HB3 0.10 0.04 0.06 -0.04 3.06 3.23 1o90A1 PHE 102 HD2 0.08 0.15 0.03 -0.04 7.28 7.49 1o90A1 PHE 102 HE2 0.05 -0.01 -0.03 -0.04 7.38 7.35 1o90A1 PHE 102 HZ 0.04 0.01 -0.03 -0.04 7.32 7.29 1o90A1 LYS 103 H -0.51 0.03 -0.49 -0.55 8.42 6.89 1o90A1 LYS 103 HA -0.28 0.15 0.60 -0.75 4.32 4.04 1o90A1 LYS 103 HB2 -0.31 -0.01 -0.02 -0.04 1.87 1.49 1o90A1 LYS 103 HB3 -0.25 0.02 0.05 -0.04 1.79 1.57 1o90A1 LYS 103 HG2 -0.87 0.02 -0.04 -0.04 1.46 0.53 1o90A1 LYS 103 HG3 -1.69 -0.05 -0.00 -0.04 1.46 -0.32 1o90A1 LYS 103 HD2 -0.19 -0.00 -0.00 -0.04 1.69 1.45 1o90A1 LYS 103 HD3 -0.24 0.01 -0.00 -0.04 1.68 1.41 1o90A1 LYS 103 HE2 -0.18 -0.03 -0.02 -0.04 2.99 2.72 1o90A1 LYS 103 HE3 -0.09 -0.02 0.01 -0.04 2.99 2.85 1o90A1 THR 104 H -0.06 0.26 -0.11 -0.55 8.28 7.82 1o90A1 THR 104 HA -0.04 0.27 1.04 -0.75 4.39 4.91 1o90A1 THR 104 HB -0.03 0.01 0.05 -0.04 4.32 4.30 1o90A1 THR 104 HG23 -0.06 -0.02 -0.16 -0.04 1.22 0.94 1o90A1 CYS 105 H 0.06 0.41 0.08 -0.55 8.50 8.50 1o90A1 CYS 105 HA -0.04 0.14 0.49 -0.75 4.58 4.42 1o90A1 CYS 105 HB2 0.11 -0.10 -0.14 -0.04 2.97 2.80 1o90A1 CYS 105 HB3 0.11 -0.16 0.03 -0.04 2.97 2.91 1o90A1 ASN 106 H -0.02 0.61 0.10 -0.55 8.53 8.68 1o90A1 ASN 106 HA 0.02 0.10 0.60 -0.75 4.76 4.73 1o90A1 ASN 106 HB2 -0.01 0.11 0.36 -0.04 2.88 3.30 1o90A1 ASN 106 HB3 0.01 -0.06 0.02 -0.04 2.79 2.71 1o90A1 ASN 106 HD21 -0.01 -0.01 0.02 -0.04 7.03 6.99 1o90A1 ASN 106 HD22 0.00 -0.05 0.01 -0.04 7.74 7.67 1o90A1 VAL 107 H 0.05 0.24 0.09 -0.55 8.24 8.07 1o90A1 VAL 107 HA 0.07 0.23 0.95 -0.75 4.13 4.63 1o90A1 VAL 107 HB 0.07 -0.02 0.18 -0.04 2.12 2.32 1o90A1 VAL 107 HG13 0.08 -0.02 -0.16 -0.04 0.97 0.82 1o90A1 VAL 107 HG23 0.11 0.04 -0.20 -0.04 0.95 0.86 1o90A1 LEU 108 H 0.03 0.61 0.15 -0.55 8.37 8.62 1o90A1 LEU 108 HA 0.01 0.08 0.72 -0.75 4.35 4.41 1o90A1 LEU 108 HB2 0.01 -0.04 0.17 -0.04 1.64 1.74 1o90A1 LEU 108 HB3 0.00 0.02 0.01 -0.04 1.64 1.63 1o90A1 LEU 108 HG 0.02 0.05 -0.10 -0.04 1.64 1.56 1o90A1 LEU 108 HD13 0.00 0.00 -0.05 -0.04 0.93 0.84 1o90A1 LEU 108 HD23 0.01 -0.00 -0.14 -0.04 0.89 0.72 1o90A1 VAL 109 H 0.00 0.23 0.18 -0.55 8.24 8.11 1o90A1 VAL 109 HA -0.04 0.11 0.99 -0.75 4.13 4.43 1o90A1 VAL 109 HB -0.02 0.03 0.22 -0.04 2.12 2.32 1o90A1 VAL 109 HG13 -0.23 -0.03 -0.04 -0.04 0.97 0.62 1o90A1 VAL 109 HG23 0.05 0.02 -0.13 -0.04 0.95 0.84 1o90A1 ALA 110 H -0.06 0.72 0.28 -0.55 8.40 8.80 1o90A1 ALA 110 HA -0.04 0.18 0.83 -0.75 4.34 4.55 1o90A1 ALA 110 HB3 -0.03 -0.01 0.11 -0.04 1.41 1.44 1o90A1 LEU 111 H -0.14 0.01 -0.33 -0.55 8.37 7.36 1o90A1 LEU 111 HA -0.12 0.11 0.43 -0.75 4.35 4.02 1o90A1 LEU 111 HB2 -0.34 -0.05 -0.08 -0.04 1.64 1.13 1o90A1 LEU 111 HB3 -0.43 -0.02 -0.06 -0.04 1.64 1.09 1o90A1 LEU 111 HG -0.60 -0.06 -0.18 -0.04 1.64 0.76 1o90A1 LEU 111 HD13 -0.11 0.02 -0.38 -0.04 0.93 0.42 1o90A1 LEU 111 HD23 -0.12 0.06 -0.34 -0.04 0.89 0.45 1o90A1 GLU 112 H -0.07 0.65 0.34 -0.55 8.60 8.97 1o90A1 GLU 112 HA -0.03 0.14 0.85 -0.75 4.29 4.49 1o90A1 GLU 112 HB2 -0.03 -0.06 0.30 -0.04 2.09 2.26 1o90A1 GLU 112 HB3 -0.02 -0.02 0.05 -0.04 1.99 1.96 1o90A1 GLU 112 HG2 -0.04 0.10 0.02 -0.04 2.34 2.37 1o90A1 GLU 112 HG3 -0.03 -0.05 0.05 -0.04 2.34 2.27 1o90A1 GLN 113 H 0.01 0.22 0.14 -0.55 8.47 8.30 1o90A1 GLN 113 HA 0.03 0.29 1.26 -0.75 4.36 5.19 1o90A1 GLN 113 HB2 0.13 -0.10 -0.10 -0.04 2.15 2.05 1o90A1 GLN 113 HB3 0.12 -0.04 0.16 -0.04 2.02 2.22 1o90A1 GLN 113 HG2 0.11 0.37 -0.08 -0.04 2.40 2.75 1o90A1 GLN 113 HG3 0.16 0.07 0.09 -0.04 2.39 2.67 1o90A1 GLN 113 HE21 0.10 0.21 0.08 -0.04 6.97 7.32 1o90A1 GLN 113 HE22 0.14 0.16 -0.06 -0.04 7.69 7.89 1o90A1 GLN 114 H 0.02 0.19 0.15 -0.55 8.47 8.28 1o90A1 GLN 114 HA 0.02 0.12 0.59 -0.75 4.36 4.33 1o90A1 GLN 114 HB2 0.01 -0.03 0.13 -0.04 2.15 2.22 1o90A1 GLN 114 HB3 0.01 -0.20 0.25 -0.04 2.02 2.05 1o90A1 GLN 114 HG2 0.00 0.02 0.03 -0.04 2.40 2.41 1o90A1 GLN 114 HG3 0.01 0.03 -0.04 -0.04 2.39 2.35 1o90A1 GLN 114 HE21 -0.01 0.00 -0.08 -0.04 6.97 6.83 1o90A1 GLN 114 HE22 -0.01 0.02 -0.03 -0.04 7.69 7.63 1o90A1 SER 115 H 0.02 0.05 0.18 -0.55 8.46 8.16 1o90A1 SER 115 HA 0.04 0.56 0.96 -0.75 4.49 5.30 1o90A1 SER 115 HB2 0.03 0.09 -0.08 -0.04 3.95 3.95 1o90A1 SER 115 HB3 0.02 -0.05 0.01 -0.04 3.93 3.87 1o90A1 PRO 116 HA 0.02 0.24 0.50 -0.51 4.44 4.69 1o90A1 PRO 116 HB2 0.01 0.05 0.06 -0.04 2.28 2.37 1o90A1 PRO 116 HB3 0.01 0.05 0.01 -0.04 2.02 2.06 1o90A1 PRO 116 HG2 0.01 0.04 0.08 -0.04 2.03 2.12 1o90A1 PRO 116 HG3 0.01 0.06 0.06 -0.04 2.03 2.12 1o90A1 PRO 116 HD2 0.01 -0.16 0.24 -0.04 3.68 3.73 1o90A1 PRO 116 HD3 0.02 0.18 0.13 -0.04 3.65 3.94 1o90A1 GLU 129 HA 0.05 -0.05 0.10 -0.75 4.29 3.64 1o90A1 GLU 129 HB2 0.04 0.06 0.01 -0.04 2.09 2.15 1o90A1 GLU 129 HB3 0.03 -0.01 0.00 -0.04 1.99 1.98 1o90A1 GLU 129 HG2 0.05 -0.06 -0.23 -0.04 2.34 2.06 1o90A1 GLU 129 HG3 0.05 0.01 -0.03 -0.04 2.34 2.32 1o90A1 ASP 130 H 0.03 0.28 0.01 -0.55 8.40 8.18 1o90A1 ASP 130 HA 0.04 0.09 0.77 -0.75 4.63 4.77 1o90A1 ASP 130 HB2 0.03 0.00 0.01 -0.04 2.71 2.71 1o90A1 ASP 130 HB3 0.03 0.06 0.15 -0.04 2.70 2.90 1o90A1 VAL 131 H 0.04 0.09 -0.40 -0.55 8.24 7.42 1o90A1 VAL 131 HA 0.02 0.08 0.30 -0.75 4.13 3.77 1o90A1 VAL 131 HB 0.02 -0.21 0.07 -0.04 2.12 1.96 1o90A1 VAL 131 HG13 0.01 0.04 -0.10 -0.04 0.97 0.88 1o90A1 VAL 131 HG23 0.04 0.01 -0.02 -0.04 0.95 0.94 1o90A1 GLY 132 H 0.02 -0.06 -0.13 -0.55 8.43 7.71 1o90A1 GLY 132 HA2 0.03 -0.09 -0.08 -0.51 4.01 3.36 1o90A1 GLY 132 HA3 0.02 0.36 0.69 -0.51 4.01 4.57 1o90A1 ALA 133 H 0.04 0.50 -0.00 -0.55 8.40 8.39 1o90A1 ALA 133 HA -0.09 -0.06 0.42 -0.75 4.34 3.85 1o90A1 ALA 133 HB3 -0.06 0.07 0.03 -0.04 1.41 1.42 1o90A1 GLY 134 H -0.09 0.12 0.23 -0.55 8.43 8.14 1o90A1 GLY 134 HA2 -0.03 0.03 0.68 -0.51 4.01 4.18 1o90A1 GLY 134 HA3 -0.05 0.04 0.34 -0.51 4.01 3.83 1o90A1 ASP 135 H -0.02 0.07 0.11 -0.55 8.40 8.01 1o90A1 ASP 135 HA -0.01 -0.05 0.41 -0.75 4.63 4.22 1o90A1 ASP 135 HB2 -0.04 0.10 0.08 -0.04 2.71 2.81 1o90A1 ASP 135 HB3 -0.02 0.07 0.04 -0.04 2.70 2.75 1o90A1 GLN 136 H 0.00 0.02 0.12 -0.55 8.47 8.07 1o90A1 GLN 136 HA 0.03 0.02 0.46 -0.75 4.36 4.11 1o90A1 GLN 136 HB2 0.01 -0.04 0.14 -0.04 2.15 2.21 1o90A1 GLN 136 HB3 0.01 0.09 -0.00 -0.04 2.02 2.08 1o90A1 GLN 136 HG2 0.01 -0.10 0.18 -0.04 2.40 2.46 1o90A1 GLN 136 HG3 0.01 0.04 0.09 -0.04 2.39 2.49 1o90A1 GLN 136 HE21 0.01 0.03 0.12 -0.04 6.97 7.09 1o90A1 GLN 136 HE22 0.01 0.01 0.08 -0.04 7.69 7.75 1o90A1 GLY 137 H 0.07 0.44 0.30 -0.55 8.43 8.69 1o90A1 GLY 137 HA2 0.01 0.13 0.70 -0.51 4.01 4.34 1o90A1 GLY 137 HA3 0.03 0.04 0.25 -0.51 4.01 3.82 1o90A1 LEU 138 H -0.01 0.21 0.03 -0.55 8.37 8.05 1o90A1 LEU 138 HA -0.09 0.22 0.85 -0.75 4.35 4.58 1o90A1 LEU 138 HB2 -0.07 0.06 -0.08 -0.04 1.64 1.51 1o90A1 LEU 138 HB3 -0.08 -0.05 0.09 -0.04 1.64 1.56 1o90A1 LEU 138 HG -0.73 -0.03 -0.30 -0.04 1.64 0.53 1o90A1 LEU 138 HD13 -0.21 0.03 -0.18 -0.04 0.93 0.54 1o90A1 LEU 138 HD23 -0.01 -0.01 -0.08 -0.04 0.89 0.76 1o90A1 MET 139 H -0.06 0.70 0.25 -0.55 8.47 8.83 1o90A1 MET 139 HA -0.08 0.07 0.96 -0.75 4.52 4.72 1o90A1 MET 139 HB2 0.08 0.04 -0.00 -0.04 2.15 2.23 1o90A1 MET 139 HB3 0.06 0.10 -0.13 -0.04 2.03 2.02 1o90A1 MET 139 HG2 0.04 -0.05 -0.24 -0.04 2.63 2.33 1o90A1 MET 139 HG3 0.04 0.03 -0.05 -0.04 2.56 2.53 1o90A1 MET 139 HE3 -0.01 -0.03 -0.26 -0.04 2.10 1.76 1o90A1 PHE 140 H 0.16 0.13 0.23 -0.55 8.34 8.30 1o90A1 PHE 140 HA 0.07 0.27 1.05 -0.75 4.62 5.26 1o90A1 PHE 140 HB2 0.09 0.03 0.09 -0.04 3.15 3.32 1o90A1 PHE 140 HB3 0.09 0.00 0.01 -0.04 3.06 3.12 1o90A1 PHE 140 HD2 0.08 -0.02 -0.17 -0.04 7.28 7.13 1o90A1 PHE 140 HE2 0.07 0.01 -0.20 -0.04 7.38 7.23 1o90A1 PHE 140 HZ 0.05 0.02 -0.14 -0.04 7.32 7.21 1o90A1 GLY 141 H 0.25 0.57 0.33 -0.55 8.43 9.03 1o90A1 GLY 141 HA2 0.13 0.14 0.76 -0.51 4.01 4.52 1o90A1 GLY 141 HA3 0.07 0.12 0.08 -0.51 4.01 3.77 1o90A1 TYR 142 H -0.07 0.28 0.22 -0.55 8.29 8.17 1o90A1 TYR 142 HA -0.14 0.37 1.06 -0.75 4.56 5.10 1o90A1 TYR 142 HB2 -0.46 -0.06 -0.13 -0.04 3.06 2.36 1o90A1 TYR 142 HB3 -1.64 -0.07 0.03 -0.04 2.98 1.26 1o90A1 TYR 142 HD2 -0.15 0.00 -0.08 -0.04 7.15 6.89 1o90A1 TYR 142 HE2 -0.19 -0.04 -0.14 -0.04 6.85 6.43 1o90A1 ALA 143 H -1.01 0.46 0.33 -0.55 8.40 7.63 1o90A1 ALA 143 HA -0.23 0.38 0.70 -0.75 4.34 4.44 1o90A1 ALA 143 HB3 -0.11 0.02 -0.22 -0.04 1.41 1.05 1o90A1 THR 144 H -0.19 0.51 0.03 -0.55 8.28 8.08 1o90A1 THR 144 HA -0.20 0.25 0.86 -0.75 4.39 4.55 1o90A1 THR 144 HB -0.34 0.02 -0.09 -0.04 4.32 3.87 1o90A1 THR 144 HG23 -0.23 -0.02 -0.29 -0.04 1.22 0.64 1o90A1 ASP 145 H -0.07 0.61 0.28 -0.55 8.40 8.67 1o90A1 ASP 145 HA -0.03 0.21 0.72 -0.75 4.63 4.78 1o90A1 ASP 145 HB2 -0.00 0.01 0.20 -0.04 2.71 2.88 1o90A1 ASP 145 HB3 -0.02 0.04 0.13 -0.04 2.70 2.81 1o90A1 GLU 146 H -0.06 0.03 -0.41 -0.55 8.60 7.61 1o90A1 GLU 146 HA 0.01 0.13 0.39 -0.75 4.29 4.07 1o90A1 GLU 146 HB2 -0.01 -0.02 0.19 -0.04 2.09 2.20 1o90A1 GLU 146 HB3 -0.02 0.19 0.15 -0.04 1.99 2.27 1o90A1 GLU 146 HG2 -0.10 0.05 -0.16 -0.04 2.34 2.09 1o90A1 GLU 146 HG3 -0.06 -0.04 -0.16 -0.04 2.34 2.04 1o90A1 THR 147 H -0.01 0.25 -0.36 -0.55 8.28 7.61 1o90A1 THR 147 HA 0.04 0.19 0.70 -0.75 4.39 4.56 1o90A1 THR 147 HB 0.04 -0.08 0.12 -0.04 4.32 4.36 1o90A1 THR 147 HG23 0.00 -0.01 -0.18 -0.04 1.22 0.99 1o90A1 GLU 148 H 0.04 0.17 0.16 -0.55 8.60 8.42 1o90A1 GLU 148 HA 0.02 0.17 0.49 -0.75 4.29 4.23 1o90A1 GLU 148 HB2 0.02 0.07 0.11 -0.04 2.09 2.25 1o90A1 GLU 148 HB3 0.02 0.02 0.14 -0.04 1.99 2.13 1o90A1 GLU 148 HG2 0.03 -0.07 0.13 -0.04 2.34 2.40 1o90A1 GLU 148 HG3 0.03 0.03 -0.05 -0.04 2.34 2.31 1o90A1 GLU 149 H 0.05 -0.03 -0.22 -0.55 8.60 7.85 1o90A1 GLU 149 HA 0.06 0.22 0.52 -0.75 4.29 4.33 1o90A1 GLU 149 HB2 0.09 -0.13 -0.00 -0.04 2.09 2.01 1o90A1 GLU 149 HB3 0.11 0.07 0.10 -0.04 1.99 2.23 1o90A1 GLU 149 HG2 0.08 0.03 -0.04 -0.04 2.34 2.36 1o90A1 GLU 149 HG3 0.05 0.05 0.00 -0.04 2.34 2.40 1o90A1 CYS 150 H 0.03 0.23 -0.43 -0.55 8.50 7.78 1o90A1 CYS 150 HA -0.01 0.38 0.40 -0.75 4.58 4.61 1o90A1 CYS 150 HB2 0.07 0.31 0.24 -0.04 2.97 3.54 1o90A1 CYS 150 HB3 0.00 -0.21 0.23 -0.04 2.97 2.95 1o90A1 MET 151 H 0.05 0.04 -0.10 -0.55 8.47 7.91 1o90A1 MET 151 HA 0.16 0.17 0.76 -0.75 4.52 4.85 1o90A1 MET 151 HB2 0.15 -0.09 -0.15 -0.04 2.15 2.02 1o90A1 MET 151 HB3 0.22 0.01 -0.09 -0.04 2.03 2.13 1o90A1 MET 151 HG2 0.22 0.16 -0.56 -0.04 2.63 2.42 1o90A1 MET 151 HG3 0.28 0.04 -0.30 -0.04 2.56 2.54 1o90A1 MET 151 HE3 0.39 0.05 -0.05 -0.04 2.10 2.45 1o90A1 PRO 152 HA -0.38 0.04 0.33 -0.51 4.44 3.91 1o90A1 PRO 152 HB2 0.05 -0.12 0.05 -0.04 2.28 2.22 1o90A1 PRO 152 HB3 -0.75 0.04 0.04 -0.04 2.02 1.31 1o90A1 PRO 152 HG2 0.07 0.14 0.08 -0.04 2.03 2.28 1o90A1 PRO 152 HG3 -0.52 0.06 0.01 -0.04 2.03 1.54 1o90A1 PRO 152 HD2 0.24 0.13 0.13 -0.04 3.68 4.15 1o90A1 PRO 152 HD3 0.25 0.20 0.14 -0.04 3.65 4.19 1o90A1 LEU 153 H -0.08 0.19 0.12 -0.55 8.37 8.05 1o90A1 LEU 153 HA -0.01 0.13 0.38 -0.75 4.35 4.09 1o90A1 LEU 153 HB2 -0.13 0.14 0.09 -0.04 1.64 1.70 1o90A1 LEU 153 HB3 -0.06 -0.07 0.07 -0.04 1.64 1.54 1o90A1 LEU 153 HG -0.16 -0.06 -0.25 -0.04 1.64 1.13 1o90A1 LEU 153 HD13 -0.12 0.02 0.03 -0.04 0.93 0.82 1o90A1 LEU 153 HD23 -0.81 0.02 -0.09 -0.04 0.89 -0.04 1o90A1 THR 154 H 0.21 0.09 -0.22 -0.55 8.28 7.81 1o90A1 THR 154 HA 0.15 0.06 0.23 -0.75 4.39 4.07 1o90A1 THR 154 HB 0.48 -0.01 -0.01 -0.04 4.32 4.74 1o90A1 THR 154 HG23 0.49 0.00 -0.13 -0.04 1.22 1.54 1o90A1 ILE 155 H 0.15 0.15 -0.34 -0.55 8.25 7.67 1o90A1 ILE 155 HA 0.01 0.05 0.43 -0.75 4.18 3.92 1o90A1 ILE 155 HB 0.16 -0.02 -0.11 -0.04 1.89 1.88 1o90A1 ILE 155 HG12 0.11 0.02 -0.22 -0.04 1.49 1.35 1o90A1 ILE 155 HG13 -0.27 0.06 -0.22 -0.04 1.21 0.74 1o90A1 ILE 155 HG23 0.18 0.02 -0.13 -0.04 0.93 0.96 1o90A1 ILE 155 HD13 -0.19 -0.04 0.02 -0.04 0.88 0.63 1o90A1 VAL 156 H 0.08 0.49 -0.23 -0.55 8.24 8.04 1o90A1 VAL 156 HA 0.18 0.10 0.35 -0.75 4.13 4.00 1o90A1 VAL 156 HB 0.06 0.05 0.10 -0.04 2.12 2.29 1o90A1 VAL 156 HG13 0.09 -0.01 -0.16 -0.04 0.97 0.85 1o90A1 VAL 156 HG23 0.12 0.05 -0.16 -0.04 0.95 0.91 1o90A1 LEU 157 H 0.06 0.67 -0.11 -0.55 8.37 8.44 1o90A1 LEU 157 HA 0.07 0.07 0.35 -0.75 4.35 4.09 1o90A1 LEU 157 HB2 0.05 0.15 0.06 -0.04 1.64 1.85 1o90A1 LEU 157 HB3 0.06 -0.03 -0.14 -0.04 1.64 1.49 1o90A1 LEU 157 HG 0.06 0.01 -0.06 -0.04 1.64 1.61 1o90A1 LEU 157 HD13 0.05 0.02 -0.02 -0.04 0.93 0.93 1o90A1 LEU 157 HD23 -0.00 -0.02 -0.10 -0.04 0.89 0.73 1o90A1 ALA 158 H 0.05 0.36 -0.40 -0.55 8.40 7.87 1o90A1 ALA 158 HA 0.07 -0.03 0.19 -0.75 4.34 3.81 1o90A1 ALA 158 HB3 -0.01 0.04 -0.10 -0.04 1.41 1.30 1o90A1 HIS 159 H 0.06 0.56 -0.33 -0.55 8.41 8.15 1o90A1 HIS 159 HA 0.18 -0.06 0.44 -0.75 4.63 4.44 1o90A1 HIS 159 HB2 0.12 0.12 0.17 -0.04 3.26 3.63 1o90A1 HIS 159 HB3 0.15 0.04 -0.00 -0.04 3.20 3.34 1o90A1 HIS 159 HD2 0.16 -0.01 -0.09 -0.04 6.97 6.98 1o90A1 HIS 159 HE1 0.11 0.15 0.08 -0.04 7.75 8.05 1o90A1 LYS 160 H 0.16 0.73 0.01 -0.55 8.42 8.77 1o90A1 LYS 160 HA 0.01 -0.01 0.39 -0.75 4.32 3.96 1o90A1 LYS 160 HB2 0.07 0.06 0.12 -0.04 1.87 2.08 1o90A1 LYS 160 HB3 0.04 -0.01 -0.00 -0.04 1.79 1.77 1o90A1 LYS 160 HG2 0.03 -0.05 0.04 -0.04 1.46 1.44 1o90A1 LYS 160 HG3 0.09 0.13 0.05 -0.04 1.46 1.69 1o90A1 LYS 160 HD2 0.06 -0.01 -0.05 -0.04 1.69 1.64 1o90A1 LYS 160 HD3 0.03 0.03 0.01 -0.04 1.68 1.71 1o90A1 LYS 160 HE2 0.02 -0.01 -0.00 -0.04 2.99 2.95 1o90A1 LYS 160 HE3 0.05 -0.03 -0.02 -0.04 2.99 2.94 1o90A1 LEU 161 H 0.10 0.59 -0.44 -0.55 8.37 8.07 1o90A1 LEU 161 HA 0.06 0.05 0.28 -0.75 4.35 3.99 1o90A1 LEU 161 HB2 0.09 0.28 0.03 -0.04 1.64 1.99 1o90A1 LEU 161 HB3 0.10 0.00 -0.04 -0.04 1.64 1.66 1o90A1 LEU 161 HG 0.10 -0.06 -0.12 -0.04 1.64 1.51 1o90A1 LEU 161 HD13 0.09 -0.00 -0.15 -0.04 0.93 0.82 1o90A1 LEU 161 HD23 0.10 -0.02 -0.12 -0.04 0.89 0.81 1o90A1 ASN 162 H 0.14 0.40 -0.22 -0.55 8.53 8.31 1o90A1 ASN 162 HA 0.13 -0.01 0.36 -0.75 4.76 4.49 1o90A1 ASN 162 HB2 0.36 0.21 0.09 -0.04 2.88 3.50 1o90A1 ASN 162 HB3 0.45 -0.09 -0.11 -0.04 2.79 3.00 1o90A1 ASN 162 HD21 0.14 0.01 -0.37 -0.04 7.03 6.77 1o90A1 ASN 162 HD22 0.23 0.11 -0.16 -0.04 7.74 7.89 1o90A1 THR 163 H -0.05 0.55 -0.16 -0.55 8.28 8.07 1o90A1 THR 163 HA -0.63 -0.00 0.35 -0.75 4.39 3.35 1o90A1 THR 163 HB -0.16 0.10 0.15 -0.04 4.32 4.37 1o90A1 THR 163 HG23 -0.24 -0.01 -0.13 -0.04 1.22 0.80 1o90A1 ARG 164 H -0.05 0.69 -0.13 -0.55 8.46 8.41 1o90A1 ARG 164 HA -0.06 0.00 0.43 -0.75 4.34 3.95 1o90A1 ARG 164 HB2 -0.02 0.03 0.09 -0.04 1.90 1.96 1o90A1 ARG 164 HB3 -0.00 0.16 0.14 -0.04 1.80 2.05 1o90A1 ARG 164 HG2 -0.00 -0.08 -0.04 -0.04 1.67 1.50 1o90A1 ARG 164 HG3 -0.04 -0.15 -0.24 -0.04 1.67 1.20 1o90A1 ARG 164 HD2 -0.00 0.04 -0.03 -0.04 3.22 3.19 1o90A1 ARG 164 HD3 -0.00 0.33 0.20 -0.04 3.22 3.70 1o90A1 MET 165 H -0.02 0.39 -0.32 -0.55 8.47 7.98 1o90A1 MET 165 HA -0.08 -0.00 0.37 -0.75 4.52 4.05 1o90A1 MET 165 HB2 0.02 0.14 0.09 -0.04 2.15 2.35 1o90A1 MET 165 HB3 -0.05 -0.04 -0.00 -0.04 2.03 1.90 1o90A1 MET 165 HG2 -0.00 -0.08 -0.03 -0.04 2.63 2.48 1o90A1 MET 165 HG3 0.03 0.48 0.11 -0.04 2.56 3.14 1o90A1 MET 165 HE3 0.06 -0.02 -0.08 -0.04 2.10 2.02 1o90A1 ALA 166 H -0.04 0.43 -0.27 -0.55 8.40 7.98 1o90A1 ALA 166 HA -0.06 0.06 0.41 -0.75 4.34 4.00 1o90A1 ALA 166 HB3 0.01 0.04 0.09 -0.04 1.41 1.51 1o90A1 ASP 167 H -0.09 0.41 -0.23 -0.55 8.40 7.95 1o90A1 ASP 167 HA -0.08 0.04 0.44 -0.75 4.63 4.28 1o90A1 ASP 167 HB2 -0.07 0.19 0.23 -0.04 2.71 3.02 1o90A1 ASP 167 HB3 -0.07 -0.05 0.01 -0.04 2.70 2.55 1o90A1 LEU 168 H -0.09 0.66 -0.01 -0.55 8.37 8.38 1o90A1 LEU 168 HA -0.10 -0.06 0.36 -0.75 4.35 3.80 1o90A1 LEU 168 HB2 -0.17 0.14 0.06 -0.04 1.64 1.63 1o90A1 LEU 168 HB3 -0.17 -0.15 0.02 -0.04 1.64 1.29 1o90A1 LEU 168 HG -0.08 0.26 0.08 -0.04 1.64 1.86 1o90A1 LEU 168 HD13 -0.07 0.02 -0.16 -0.04 0.93 0.68 1o90A1 LEU 168 HD23 -0.06 -0.02 -0.02 -0.04 0.89 0.76 1o90A1 ARG 169 H -0.13 0.29 -0.66 -0.55 8.46 7.41 1o90A1 ARG 169 HA -0.20 0.15 0.42 -0.75 4.34 3.95 1o90A1 ARG 169 HB2 -0.15 0.15 0.08 -0.04 1.90 1.93 1o90A1 ARG 169 HB3 -0.12 0.08 0.10 -0.04 1.80 1.83 1o90A1 ARG 169 HG2 -0.13 -0.04 -0.12 -0.04 1.67 1.34 1o90A1 ARG 169 HG3 -0.16 0.14 -0.11 -0.04 1.67 1.50 1o90A1 ARG 169 HD2 -0.13 -0.06 -0.29 -0.04 3.22 2.70 1o90A1 ARG 169 HD3 -0.12 -0.05 -0.35 -0.04 3.22 2.66 1o90A1 ARG 170 H -0.10 0.64 -0.01 -0.55 8.46 8.43 1o90A1 ARG 170 HA -0.09 0.07 0.48 -0.75 4.34 4.05 1o90A1 ARG 170 HB2 -0.08 0.04 0.12 -0.04 1.90 1.94 1o90A1 ARG 170 HB3 -0.08 -0.08 0.06 -0.04 1.80 1.67 1o90A1 ARG 170 HG2 -0.12 -0.02 -0.01 -0.04 1.67 1.48 1o90A1 ARG 170 HG3 -0.11 0.14 0.08 -0.04 1.67 1.75 1o90A1 ARG 170 HD2 -0.10 -0.04 -0.04 -0.04 3.22 3.00 1o90A1 ARG 170 HD3 -0.12 -0.06 -0.01 -0.04 3.22 2.99 1o90A1 SER 171 H -0.08 0.42 -0.25 -0.55 8.46 8.00 1o90A1 SER 171 HA -0.05 0.09 0.63 -0.75 4.49 4.40 1o90A1 SER 171 HB2 -0.05 -0.05 0.02 -0.04 3.95 3.83 1o90A1 SER 171 HB3 -0.06 0.06 0.03 -0.04 3.93 3.92 1o90A1 GLY 172 H -0.09 0.36 -0.19 -0.55 8.43 7.96 1o90A1 GLY 172 HA2 -0.06 0.08 0.20 -0.51 4.01 3.72 1o90A1 GLY 172 HA3 -0.04 0.16 0.78 -0.51 4.01 4.40 1o90A1 VAL 173 H -0.07 0.05 -0.04 -0.55 8.24 7.63 1o90A1 VAL 173 HA -0.03 0.03 0.33 -0.75 4.13 3.71 1o90A1 VAL 173 HB -0.08 -0.03 0.13 -0.04 2.12 2.09 1o90A1 VAL 173 HG13 -0.03 -0.00 -0.07 -0.04 0.97 0.83 1o90A1 VAL 173 HG23 -0.04 0.00 0.00 -0.04 0.95 0.87 1o90A1 LEU 174 H -0.20 0.49 -0.24 -0.55 8.37 7.87 1o90A1 LEU 174 HA -0.31 0.15 0.82 -0.75 4.35 4.25 1o90A1 LEU 174 HB2 -0.51 0.03 0.02 -0.04 1.64 1.13 1o90A1 LEU 174 HB3 -1.40 -0.10 0.06 -0.04 1.64 0.16 1o90A1 LEU 174 HG -0.16 -0.02 -0.23 -0.04 1.64 1.19 1o90A1 LEU 174 HD13 -0.25 -0.00 -0.10 -0.04 0.93 0.53 1o90A1 LEU 174 HD23 0.15 0.06 -0.00 -0.04 0.89 1.06 1o90A1 PRO 175 HA -0.13 0.22 0.50 -0.51 4.44 4.53 1o90A1 PRO 175 HB2 0.03 -0.05 0.06 -0.04 2.28 2.29 1o90A1 PRO 175 HB3 -0.02 0.11 0.11 -0.04 2.02 2.19 1o90A1 PRO 175 HG2 0.17 -0.07 -0.06 -0.04 2.03 2.03 1o90A1 PRO 175 HG3 0.07 0.02 0.03 -0.04 2.03 2.11 1o90A1 PRO 175 HD2 0.01 0.06 0.08 -0.04 3.68 3.79 1o90A1 PRO 175 HD3 -0.04 0.63 -0.14 -0.04 3.65 4.05 1o90A1 TRP 176 H -0.60 0.04 -0.43 -0.55 7.97 6.44 1o90A1 TRP 176 HA 0.02 0.11 0.69 -0.75 4.62 4.69 1o90A1 TRP 176 HB2 0.03 -0.06 -0.00 -0.04 3.23 3.15 1o90A1 TRP 176 HB3 0.01 0.03 -0.04 -0.04 3.23 3.19 1o90A1 TRP 176 HD1 -0.00 0.04 -0.02 -0.04 7.22 7.20 1o90A1 TRP 176 HE1 -0.01 0.05 0.01 -0.04 10.20 10.21 1o90A1 TRP 176 HE3 0.03 0.00 -0.36 -0.04 7.59 7.22 1o90A1 TRP 176 HZ2 -0.01 -0.00 -0.01 -0.04 7.44 7.38 1o90A1 TRP 176 HZ3 0.00 0.03 -0.11 -0.04 7.13 7.01 1o90A1 TRP 176 HH2 -0.00 0.02 -0.03 -0.04 7.19 7.14 1o90A1 LEU 177 H -0.62 0.21 -0.24 -0.55 8.37 7.18 1o90A1 LEU 177 HA -0.05 0.08 0.48 -0.75 4.35 4.10 1o90A1 LEU 177 HB2 -0.75 0.05 0.11 -0.04 1.64 1.02 1o90A1 LEU 177 HB3 -0.29 0.04 -0.00 -0.04 1.64 1.34 1o90A1 LEU 177 HG -0.18 0.06 -0.05 -0.04 1.64 1.42 1o90A1 LEU 177 HD13 -0.39 -0.01 -0.02 -0.04 0.93 0.46 1o90A1 LEU 177 HD23 -0.35 0.03 0.01 -0.04 0.89 0.54 1o90A1 ARG 178 H -0.03 0.51 0.18 -0.55 8.46 8.58 1o90A1 ARG 178 HA -0.09 0.25 0.80 -0.75 4.34 4.54 1o90A1 ARG 178 HB2 -0.08 -0.09 -0.40 -0.04 1.90 1.29 1o90A1 ARG 178 HB3 -0.06 -0.07 -0.00 -0.04 1.80 1.63 1o90A1 ARG 178 HG2 -0.00 0.05 -0.09 -0.04 1.67 1.58 1o90A1 ARG 178 HG3 0.05 0.06 -0.39 -0.04 1.67 1.35 1o90A1 ARG 178 HD2 0.01 0.13 -0.15 -0.04 3.22 3.17 1o90A1 ARG 178 HD3 0.05 -0.02 -0.03 -0.04 3.22 3.18 1o90A1 PRO 179 HA -0.11 0.09 0.33 -0.51 4.44 4.24 1o90A1 PRO 179 HB2 -0.35 -0.11 -0.08 -0.04 2.28 1.70 1o90A1 PRO 179 HB3 -0.29 0.31 -0.00 -0.04 2.02 1.99 1o90A1 PRO 179 HG2 -1.40 -0.03 -0.14 -0.04 2.03 0.42 1o90A1 PRO 179 HG3 -0.55 0.17 -0.09 -0.04 2.03 1.51 1o90A1 PRO 179 HD2 -0.20 0.05 0.15 -0.04 3.68 3.64 1o90A1 PRO 179 HD3 -0.21 0.25 0.18 -0.04 3.65 3.84 1o90A1 ASP 180 H 0.03 0.15 -0.13 -0.55 8.40 7.89 1o90A1 ASP 180 HA 0.14 -0.15 0.43 -0.75 4.63 4.31 1o90A1 ASP 180 HB2 0.26 0.10 -0.15 -0.04 2.71 2.89 1o90A1 ASP 180 HB3 0.11 -0.04 -0.00 -0.04 2.70 2.73 1o90A1 SER 181 H 0.17 0.10 0.35 -0.55 8.46 8.53 1o90A1 SER 181 HA 0.14 0.22 0.85 -0.75 4.49 4.96 1o90A1 SER 181 HB2 0.11 0.08 0.16 -0.04 3.95 4.25 1o90A1 SER 181 HB3 0.04 0.15 -0.08 -0.04 3.93 3.99 1o90A1 LYS 182 H 0.18 0.79 0.49 -0.55 8.42 9.33 1o90A1 LYS 182 HA 0.12 0.18 1.09 -0.75 4.32 4.95 1o90A1 LYS 182 HB2 0.20 -0.03 -0.03 -0.04 1.87 1.97 1o90A1 LYS 182 HB3 0.17 -0.05 0.12 -0.04 1.79 1.99 1o90A1 LYS 182 HG2 0.09 0.06 -0.16 -0.04 1.46 1.41 1o90A1 LYS 182 HG3 0.06 -0.00 0.09 -0.04 1.46 1.58 1o90A1 LYS 182 HD2 0.10 -0.02 -0.03 -0.04 1.69 1.70 1o90A1 LYS 182 HD3 0.09 -0.02 -0.07 -0.04 1.68 1.64 1o90A1 LYS 182 HE2 0.05 0.03 -0.11 -0.04 2.99 2.92 1o90A1 LYS 182 HE3 0.04 -0.02 -0.05 -0.04 2.99 2.92 1o90A1 THR 183 H 0.09 0.76 0.52 -0.55 8.28 9.10 1o90A1 THR 183 HA 0.11 0.29 1.29 -0.75 4.39 5.32 1o90A1 THR 183 HB 0.11 -0.00 0.11 -0.04 4.32 4.50 1o90A1 THR 183 HG23 0.09 0.01 -0.08 -0.04 1.22 1.20 1o90A1 GLN 184 H 0.09 0.65 0.45 -0.55 8.47 9.12 1o90A1 GLN 184 HA 0.06 0.31 1.17 -0.75 4.36 5.15 1o90A1 GLN 184 HB2 0.07 -0.03 0.15 -0.04 2.15 2.29 1o90A1 GLN 184 HB3 0.05 -0.01 -0.09 -0.04 2.02 1.93 1o90A1 GLN 184 HG2 0.03 0.02 -0.05 -0.04 2.40 2.36 1o90A1 GLN 184 HG3 0.05 -0.04 -0.33 -0.04 2.39 2.03 1o90A1 GLN 184 HE21 0.00 0.00 -0.08 -0.04 6.97 6.85 1o90A1 GLN 184 HE22 0.01 -0.02 -0.09 -0.04 7.69 7.55 1o90A1 VAL 185 H 0.08 0.67 0.40 -0.55 8.24 8.83 1o90A1 VAL 185 HA 0.07 0.22 1.14 -0.75 4.13 4.81 1o90A1 VAL 185 HB 0.09 0.14 0.19 -0.04 2.12 2.51 1o90A1 VAL 185 HG13 0.07 -0.02 -0.16 -0.04 0.97 0.83 1o90A1 VAL 185 HG23 0.07 -0.03 -0.28 -0.04 0.95 0.68 1o90A1 THR 186 H 0.08 0.64 0.38 -0.55 8.28 8.83 1o90A1 THR 186 HA 0.15 0.36 1.35 -0.75 4.39 5.49 1o90A1 THR 186 HB 0.02 -0.03 0.00 -0.04 4.32 4.28 1o90A1 THR 186 HG23 0.05 -0.01 0.05 -0.04 1.22 1.27 1o90A1 VAL 187 H 0.30 0.48 0.36 -0.55 8.24 8.84 1o90A1 VAL 187 HA 0.10 0.07 1.26 -0.75 4.13 4.81 1o90A1 VAL 187 HB 0.24 -0.08 0.07 -0.04 2.12 2.31 1o90A1 VAL 187 HG13 -0.36 0.07 -0.17 -0.04 0.97 0.47 1o90A1 VAL 187 HG23 -0.01 -0.01 -0.22 -0.04 0.95 0.67 1o90A1 GLN 188 H 0.09 0.61 0.45 -0.55 8.47 9.07 1o90A1 GLN 188 HA 0.28 0.06 0.89 -0.75 4.36 4.84 1o90A1 GLN 188 HB2 0.10 -0.00 0.26 -0.04 2.15 2.46 1o90A1 GLN 188 HB3 0.12 0.10 0.09 -0.04 2.02 2.30 1o90A1 GLN 188 HG2 0.21 -0.00 0.03 -0.04 2.40 2.60 1o90A1 GLN 188 HG3 0.27 -0.08 0.04 -0.04 2.39 2.58 1o90A1 GLN 188 HE21 0.14 0.01 -0.01 -0.04 6.97 7.06 1o90A1 GLN 188 HE22 0.18 -0.01 -0.02 -0.04 7.69 7.81 1o90A1 TYR 189 H 0.45 0.71 0.51 -0.55 8.29 9.41 1o90A1 TYR 189 HA 0.02 0.20 1.14 -0.75 4.56 5.17 1o90A1 TYR 189 HB2 -0.25 0.09 -0.01 -0.04 3.06 2.85 1o90A1 TYR 189 HB3 -0.36 -0.16 0.00 -0.04 2.98 2.43 1o90A1 TYR 189 HD2 0.31 0.07 -0.31 -0.04 7.15 7.17 1o90A1 TYR 189 HE2 0.19 0.01 -0.09 -0.04 6.85 6.92 1o90A1 VAL 190 H -0.02 0.27 0.12 -0.55 8.24 8.06 1o90A1 VAL 190 HA -0.17 -0.02 0.45 -0.75 4.13 3.64 1o90A1 VAL 190 HB -0.02 0.02 -0.10 -0.04 2.12 1.98 1o90A1 VAL 190 HG13 -0.02 0.03 -0.10 -0.04 0.97 0.84 1o90A1 VAL 190 HG23 -0.02 0.03 0.12 -0.04 0.95 1.05 1o90A1 GLN 191 H -0.14 0.21 -0.03 -0.55 8.47 7.97 1o90A1 GLN 191 HA -0.04 -0.11 0.40 -0.75 4.36 3.86 1o90A1 GLN 191 HB2 -0.03 0.15 0.07 -0.04 2.15 2.30 1o90A1 GLN 191 HB3 0.01 -0.13 0.02 -0.04 2.02 1.88 1o90A1 GLN 191 HG2 0.05 0.05 0.01 -0.04 2.40 2.47 1o90A1 GLN 191 HG3 -0.01 -0.16 0.02 -0.04 2.39 2.19 1o90A1 GLN 191 HE21 0.11 0.21 0.05 -0.04 6.97 7.29 1o90A1 GLN 191 HE22 0.08 -0.06 0.02 -0.04 7.69 7.69 1o90A1 ASP 192 H 0.02 -0.00 -0.15 -0.55 8.40 7.72 1o90A1 ASP 192 HA 0.01 0.12 0.46 -0.75 4.63 4.46 1o90A1 ASP 192 HB2 0.01 0.21 -0.27 -0.04 2.71 2.63 1o90A1 ASP 192 HB3 0.02 -0.03 -0.04 -0.04 2.70 2.61 1o90A1 ASN 193 H 0.02 0.18 0.02 -0.55 8.53 8.20 1o90A1 ASN 193 HA 0.03 0.01 0.30 -0.75 4.76 4.35 1o90A1 ASN 193 HB2 0.02 0.05 -0.05 -0.04 2.88 2.85 1o90A1 ASN 193 HB3 0.02 0.05 0.21 -0.04 2.79 3.03 1o90A1 ASN 193 HD21 0.02 -0.01 0.03 -0.04 7.03 7.03 1o90A1 ASN 193 HD22 0.02 0.02 0.05 -0.04 7.74 7.79 1o90A1 GLY 194 H 0.05 -0.17 -0.70 -0.55 8.43 7.06 1o90A1 GLY 194 HA2 0.07 0.15 0.22 -0.51 4.01 3.94 1o90A1 GLY 194 HA3 0.05 0.08 0.40 -0.51 4.01 4.03 1o90A1 ALA 195 H 0.04 0.43 0.07 -0.55 8.40 8.39 1o90A1 ALA 195 HA 0.04 -0.15 0.31 -0.75 4.34 3.79 1o90A1 ALA 195 HB3 0.03 0.11 0.04 -0.04 1.41 1.55 1o90A1 VAL 196 H 0.05 0.08 0.08 -0.55 8.24 7.91 1o90A1 VAL 196 HA 0.08 -0.01 0.23 -0.75 4.13 3.67 1o90A1 VAL 196 HB -0.00 0.04 0.01 -0.04 2.12 2.12 1o90A1 VAL 196 HG13 0.01 -0.01 -0.20 -0.04 0.97 0.74 1o90A1 VAL 196 HG23 0.24 0.01 -0.02 -0.04 0.95 1.13 1o90A1 ILE 197 H 0.08 0.49 0.11 -0.55 8.25 8.38 1o90A1 ILE 197 HA 0.07 0.20 0.97 -0.75 4.18 4.66 1o90A1 ILE 197 HB 0.03 0.14 0.17 -0.04 1.89 2.18 1o90A1 ILE 197 HG12 0.03 0.07 -0.10 -0.04 1.49 1.44 1o90A1 ILE 197 HG13 0.03 -0.11 -0.30 -0.04 1.21 0.78 1o90A1 ILE 197 HG23 0.03 0.02 -0.09 -0.04 0.93 0.84 1o90A1 ILE 197 HD13 0.02 0.00 -0.07 -0.04 0.88 0.79 1o90A1 PRO 198 HA -0.76 0.02 0.55 -0.51 4.44 3.74 1o90A1 PRO 198 HB2 -0.51 0.04 -0.11 -0.04 2.28 1.65 1o90A1 PRO 198 HB3 -0.61 -0.12 0.04 -0.04 2.02 1.28 1o90A1 PRO 198 HG2 0.00 0.10 0.14 -0.04 2.03 2.23 1o90A1 PRO 198 HG3 -0.15 0.06 0.11 -0.04 2.03 2.01 1o90A1 PRO 198 HD2 0.02 0.17 0.31 -0.04 3.68 4.14 1o90A1 PRO 198 HD3 0.06 0.03 0.10 -0.04 3.65 3.80 1o90A1 VAL 199 H -0.20 0.55 0.41 -0.55 8.24 8.46 1o90A1 VAL 199 HA 0.06 0.20 0.90 -0.75 4.13 4.53 1o90A1 VAL 199 HB 0.01 0.01 0.13 -0.04 2.12 2.22 1o90A1 VAL 199 HG13 0.03 -0.01 -0.08 -0.04 0.97 0.86 1o90A1 VAL 199 HG23 -0.01 -0.00 -0.13 -0.04 0.95 0.77 1o90A1 ARG 200 H -0.02 0.23 0.35 -0.55 8.46 8.46 1o90A1 ARG 200 HA 0.22 0.14 0.56 -0.75 4.34 4.51 1o90A1 ARG 200 HB2 0.06 0.18 0.13 -0.04 1.90 2.22 1o90A1 ARG 200 HB3 0.06 0.17 -0.18 -0.04 1.80 1.81 1o90A1 ARG 200 HG2 0.04 -0.06 -0.09 -0.04 1.67 1.52 1o90A1 ARG 200 HG3 0.05 -0.13 -0.38 -0.04 1.67 1.16 1o90A1 ARG 200 HD2 -0.00 0.05 -0.09 -0.04 3.22 3.14 1o90A1 ARG 200 HD3 0.01 -0.00 -0.08 -0.04 3.22 3.11 1o90A1 VAL 201 H 0.10 0.65 0.22 -0.55 8.24 8.65 1o90A1 VAL 201 HA 0.03 0.00 0.73 -0.75 4.13 4.14 1o90A1 VAL 201 HB 0.02 0.06 0.08 -0.04 2.12 2.24 1o90A1 VAL 201 HG13 -0.01 -0.02 -0.23 -0.04 0.97 0.68 1o90A1 VAL 201 HG23 0.05 -0.01 -0.10 -0.04 0.95 0.85 1o90A1 HIS 202 H 0.15 0.30 0.50 -0.55 8.41 8.81 1o90A1 HIS 202 HA 0.00 0.04 0.47 -0.75 4.63 4.38 1o90A1 HIS 202 HB2 0.05 -0.07 0.10 -0.04 3.26 3.30 1o90A1 HIS 202 HB3 0.04 0.04 0.15 -0.04 3.20 3.39 1o90A1 HIS 202 HD2 0.05 -0.02 -0.01 -0.04 6.97 6.94 1o90A1 HIS 202 HE1 0.03 -0.00 -0.04 -0.04 7.75 7.69 1o90A1 THR 203 H 0.13 0.39 0.27 -0.55 8.28 8.52 1o90A1 THR 203 HA -0.09 0.25 0.78 -0.75 4.39 4.57 1o90A1 THR 203 HB 0.14 0.03 0.11 -0.04 4.32 4.56 1o90A1 THR 203 HG23 0.21 -0.04 -0.12 -0.04 1.22 1.22 1o90A1 ILE 204 H -0.11 0.85 0.41 -0.55 8.25 8.85 1o90A1 ILE 204 HA 0.05 0.22 1.11 -0.75 4.18 4.81 1o90A1 ILE 204 HB -0.07 -0.01 0.11 -0.04 1.89 1.88 1o90A1 ILE 204 HG12 0.02 0.00 -0.04 -0.04 1.49 1.44 1o90A1 ILE 204 HG13 -0.11 -0.06 -0.43 -0.04 1.21 0.57 1o90A1 ILE 204 HG23 0.12 -0.01 -0.17 -0.04 0.93 0.83 1o90A1 ILE 204 HD13 0.04 0.00 -0.10 -0.04 0.88 0.78 1o90A1 VAL 205 H 0.10 0.72 0.39 -0.55 8.24 8.90 1o90A1 VAL 205 HA 0.19 0.27 1.12 -0.75 4.13 4.95 1o90A1 VAL 205 HB 0.09 -0.05 0.16 -0.04 2.12 2.29 1o90A1 VAL 205 HG13 0.10 0.00 -0.12 -0.04 0.97 0.91 1o90A1 VAL 205 HG23 0.18 -0.01 -0.15 -0.04 0.95 0.93 1o90A1 ILE 206 H 0.16 0.61 0.37 -0.55 8.25 8.84 1o90A1 ILE 206 HA 0.13 0.31 1.14 -0.75 4.18 5.01 1o90A1 ILE 206 HB 0.13 0.04 0.01 -0.04 1.89 2.03 1o90A1 ILE 206 HG12 0.15 -0.10 -0.37 -0.04 1.49 1.14 1o90A1 ILE 206 HG13 0.13 0.07 -0.08 -0.04 1.21 1.29 1o90A1 ILE 206 HG23 0.15 -0.03 -0.10 -0.04 0.93 0.91 1o90A1 ILE 206 HD13 0.12 0.00 -0.10 -0.04 0.88 0.86 1o90A1 SER 207 H 0.17 0.72 0.43 -0.55 8.46 9.22 1o90A1 SER 207 HA 0.22 0.07 0.96 -0.75 4.49 4.98 1o90A1 SER 207 HB2 0.25 -0.04 0.14 -0.04 3.95 4.26 1o90A1 SER 207 HB3 0.36 0.05 0.00 -0.04 3.93 4.29 1o90A1 VAL 208 H 0.22 0.26 0.19 -0.55 8.24 8.36 1o90A1 VAL 208 HA -0.04 0.14 1.16 -0.75 4.13 4.64 1o90A1 VAL 208 HB 0.09 -0.07 -0.14 -0.04 2.12 1.96 1o90A1 VAL 208 HG13 0.23 -0.01 -0.06 -0.04 0.97 1.10 1o90A1 VAL 208 HG23 -0.02 0.09 0.03 -0.04 0.95 1.01 1o90A1 GLN 209 H -0.53 0.85 0.36 -0.55 8.47 8.60 1o90A1 GLN 209 HA -1.21 0.20 0.64 -0.75 4.36 3.23 1o90A1 GLN 209 HB2 -0.83 -0.08 0.15 -0.04 2.15 1.35 1o90A1 GLN 209 HB3 -0.27 -0.09 -0.01 -0.04 2.02 1.61 1o90A1 GLN 209 HG2 -0.15 0.17 0.18 -0.04 2.40 2.56 1o90A1 GLN 209 HG3 -0.15 -0.19 0.03 -0.04 2.39 2.03 1o90A1 GLN 209 HE21 0.26 0.48 0.14 -0.04 6.97 7.81 1o90A1 GLN 209 HE22 0.12 0.30 0.05 -0.04 7.69 8.13 1o90A1 HIS 210 H -0.34 0.44 0.53 -0.55 8.41 8.49 1o90A1 HIS 210 HA 0.12 0.26 0.75 -0.75 4.63 5.01 1o90A1 HIS 210 HB2 0.27 -0.04 0.07 -0.04 3.26 3.52 1o90A1 HIS 210 HB3 0.28 0.06 -0.25 -0.04 3.20 3.24 1o90A1 HIS 210 HD2 0.11 0.27 -0.03 -0.04 6.97 7.27 1o90A1 HIS 210 HE1 0.06 -0.08 -0.06 -0.04 7.75 7.63 1o90A1 ASN 211 H 0.35 0.38 0.21 -0.55 8.53 8.92 1o90A1 ASN 211 HA 0.13 0.06 0.55 -0.75 4.76 4.75 1o90A1 ASN 211 HB2 0.22 0.01 0.03 -0.04 2.88 3.10 1o90A1 ASN 211 HB3 0.13 -0.16 0.07 -0.04 2.79 2.78 1o90A1 ASN 211 HD21 0.09 0.19 0.08 -0.04 7.03 7.34 1o90A1 ASN 211 HD22 0.17 -0.09 0.07 -0.04 7.74 7.85 1o90A1 GLU 212 H 0.10 0.10 0.13 -0.55 8.60 8.39 1o90A1 GLU 212 HA 0.14 0.11 0.43 -0.75 4.29 4.21 1o90A1 GLU 212 HB2 0.06 -0.03 0.13 -0.04 2.09 2.21 1o90A1 GLU 212 HB3 0.05 0.02 0.00 -0.04 1.99 2.03 1o90A1 GLU 212 HG2 0.07 -0.00 0.07 -0.04 2.34 2.44 1o90A1 GLU 212 HG3 0.05 0.02 0.05 -0.04 2.34 2.41 1o90A1 ASP 213 H 0.06 0.07 -0.09 -0.55 8.40 7.90 1o90A1 ASP 213 HA 0.01 0.09 0.49 -0.75 4.63 4.46 1o90A1 ASP 213 HB2 0.05 0.03 0.15 -0.04 2.71 2.90 1o90A1 ASP 213 HB3 0.02 0.03 0.13 -0.04 2.70 2.83 1o90A1 ILE 214 H -0.06 0.65 -0.06 -0.55 8.25 8.22 1o90A1 ILE 214 HA -0.20 -0.01 0.53 -0.75 4.18 3.75 1o90A1 ILE 214 HB -0.13 0.04 -0.45 -0.04 1.89 1.31 1o90A1 ILE 214 HG12 -0.44 0.03 0.09 -0.04 1.49 1.13 1o90A1 ILE 214 HG13 -1.64 -0.02 -0.06 -0.04 1.21 -0.55 1o90A1 ILE 214 HG23 -0.41 0.05 -0.15 -0.04 0.93 0.37 1o90A1 ILE 214 HD13 -0.86 -0.03 -0.13 -0.04 0.88 -0.19 1o90A1 THR 215 H -0.20 0.12 0.12 -0.55 8.28 7.77 1o90A1 THR 215 HA -0.14 0.17 0.61 -0.75 4.39 4.28 1o90A1 THR 215 HB -0.09 0.13 0.15 -0.04 4.32 4.46 1o90A1 THR 215 HG23 -0.14 -0.07 0.11 -0.04 1.22 1.08 1o90A1 LEU 216 H -0.12 0.20 0.22 -0.55 8.37 8.13 1o90A1 LEU 216 HA -0.20 0.15 0.42 -0.75 4.35 3.97 1o90A1 LEU 216 HB2 -0.06 0.02 0.17 -0.04 1.64 1.72 1o90A1 LEU 216 HB3 -0.05 -0.01 0.07 -0.04 1.64 1.61 1o90A1 LEU 216 HG -0.02 0.03 0.05 -0.04 1.64 1.66 1o90A1 LEU 216 HD13 -0.03 0.03 0.02 -0.04 0.93 0.92 1o90A1 LEU 216 HD23 0.01 0.01 0.04 -0.04 0.89 0.90 1o90A1 GLU 217 H -0.10 0.03 -0.19 -0.55 8.60 7.78 1o90A1 GLU 217 HA -0.06 0.17 0.49 -0.75 4.29 4.13 1o90A1 GLU 217 HB2 -0.05 0.02 0.08 -0.04 2.09 2.10 1o90A1 GLU 217 HB3 -0.07 -0.03 0.03 -0.04 1.99 1.87 1o90A1 GLU 217 HG2 -0.05 0.00 -0.07 -0.04 2.34 2.18 1o90A1 GLU 217 HG3 -0.04 0.04 0.04 -0.04 2.34 2.34 1o90A1 ALA 218 H -0.17 0.05 -0.23 -0.55 8.40 7.49 1o90A1 ALA 218 HA -0.11 0.10 0.49 -0.75 4.34 4.07 1o90A1 ALA 218 HB3 -0.23 0.03 0.08 -0.04 1.41 1.25 1o90A1 MET 219 H -0.35 0.39 -0.27 -0.55 8.47 7.69 1o90A1 MET 219 HA -0.69 0.07 0.42 -0.75 4.52 3.57 1o90A1 MET 219 HB2 -0.27 0.06 0.11 -0.04 2.15 2.02 1o90A1 MET 219 HB3 -0.23 0.01 -0.05 -0.04 2.03 1.72 1o90A1 MET 219 HG2 -1.61 -0.05 -0.11 -0.04 2.63 0.83 1o90A1 MET 219 HG3 -0.67 0.28 -0.15 -0.04 2.56 1.98 1o90A1 MET 219 HE3 0.15 0.01 -0.10 -0.04 2.10 2.13 1o90A1 ARG 220 H -0.10 0.49 -0.08 -0.55 8.46 8.22 1o90A1 ARG 220 HA 0.04 -0.00 0.34 -0.75 4.34 3.96 1o90A1 ARG 220 HB2 -0.03 0.06 0.12 -0.04 1.90 2.01 1o90A1 ARG 220 HB3 0.00 -0.04 0.07 -0.04 1.80 1.79 1o90A1 ARG 220 HG2 0.04 0.06 0.04 -0.04 1.67 1.76 1o90A1 ARG 220 HG3 -0.03 0.11 0.18 -0.04 1.67 1.89 1o90A1 ARG 220 HD2 -0.01 -0.09 0.02 -0.04 3.22 3.10 1o90A1 ARG 220 HD3 0.03 -0.07 0.07 -0.04 3.22 3.20 1o90A1 GLU 221 H -0.04 0.28 -0.53 -0.55 8.60 7.76 1o90A1 GLU 221 HA -0.03 0.06 0.53 -0.75 4.29 4.10 1o90A1 GLU 221 HB2 -0.03 0.11 0.13 -0.04 2.09 2.26 1o90A1 GLU 221 HB3 -0.02 0.08 0.16 -0.04 1.99 2.18 1o90A1 GLU 221 HG2 0.00 -0.02 -0.12 -0.04 2.34 2.16 1o90A1 GLU 221 HG3 -0.02 -0.02 0.07 -0.04 2.34 2.32 1o90A1 ALA 222 H 0.07 0.52 -0.06 -0.55 8.40 8.38 1o90A1 ALA 222 HA 0.11 -0.02 0.39 -0.75 4.34 4.06 1o90A1 ALA 222 HB3 0.39 0.04 0.13 -0.04 1.41 1.93 1o90A1 LEU 223 H 0.15 0.56 -0.22 -0.55 8.37 8.30 1o90A1 LEU 223 HA 0.12 0.03 0.37 -0.75 4.35 4.11 1o90A1 LEU 223 HB2 0.12 0.10 0.06 -0.04 1.64 1.87 1o90A1 LEU 223 HB3 0.12 -0.04 -0.08 -0.04 1.64 1.60 1o90A1 LEU 223 HG 0.16 -0.03 -0.05 -0.04 1.64 1.68 1o90A1 LEU 223 HD13 0.36 0.07 -0.10 -0.04 0.93 1.21 1o90A1 LEU 223 HD23 0.16 -0.02 -0.12 -0.04 0.89 0.88 1o90A1 LYS 224 H 0.01 0.37 -0.33 -0.55 8.42 7.92 1o90A1 LYS 224 HA -0.03 0.03 0.58 -0.75 4.32 4.13 1o90A1 LYS 224 HB2 -0.19 0.05 0.13 -0.04 1.87 1.82 1o90A1 LYS 224 HB3 -0.11 0.08 0.19 -0.04 1.79 1.91 1o90A1 LYS 224 HG2 -0.23 0.01 -0.14 -0.04 1.46 1.06 1o90A1 LYS 224 HG3 -0.66 -0.04 0.04 -0.04 1.46 0.76 1o90A1 LYS 224 HD2 -0.24 -0.00 0.01 -0.04 1.69 1.41 1o90A1 LYS 224 HD3 -0.50 0.02 -0.01 -0.04 1.68 1.15 1o90A1 LYS 224 HE2 -1.13 -0.04 0.00 -0.04 2.99 1.78 1o90A1 LYS 224 HE3 -0.29 0.06 0.03 -0.04 2.99 2.75 1o90A1 GLU 225 H -0.00 0.53 0.05 -0.55 8.60 8.63 1o90A1 GLU 225 HA -0.00 0.11 0.56 -0.75 4.29 4.20 1o90A1 GLU 225 HB2 0.02 0.01 0.12 -0.04 2.09 2.19 1o90A1 GLU 225 HB3 0.01 0.01 -0.03 -0.04 1.99 1.94 1o90A1 GLU 225 HG2 -0.03 0.03 0.06 -0.04 2.34 2.37 1o90A1 GLU 225 HG3 -0.01 -0.02 0.01 -0.04 2.34 2.27 1o90A1 GLN 226 H 0.04 0.35 0.07 -0.55 8.47 8.39 1o90A1 GLN 226 HA 0.02 0.17 0.61 -0.75 4.36 4.40 1o90A1 GLN 226 HB2 0.05 0.12 0.11 -0.04 2.15 2.39 1o90A1 GLN 226 HB3 0.01 -0.02 0.03 -0.04 2.02 2.00 1o90A1 GLN 226 HG2 0.02 0.03 -0.06 -0.04 2.40 2.35 1o90A1 GLN 226 HG3 0.04 -0.09 0.00 -0.04 2.39 2.31 1o90A1 GLN 226 HE21 0.10 0.03 0.01 -0.04 6.97 7.07 1o90A1 GLN 226 HE22 0.09 -0.06 0.02 -0.04 7.69 7.70 1o90A1 VAL 227 H 0.05 0.16 -0.26 -0.55 8.24 7.64 1o90A1 VAL 227 HA 0.02 0.26 1.00 -0.75 4.13 4.66 1o90A1 VAL 227 HB 0.03 0.01 -0.01 -0.04 2.12 2.11 1o90A1 VAL 227 HG13 0.03 0.03 -0.16 -0.04 0.97 0.83 1o90A1 VAL 227 HG23 0.08 0.09 0.00 -0.04 0.95 1.08 1o90A1 ILE 228 H 0.08 0.62 0.14 -0.55 8.25 8.53 1o90A1 ILE 228 HA 0.10 0.02 0.34 -0.75 4.18 3.88 1o90A1 ILE 228 HB 0.12 0.13 0.31 -0.04 1.89 2.41 1o90A1 ILE 228 HG12 0.16 -0.07 -0.02 -0.04 1.49 1.52 1o90A1 ILE 228 HG13 0.13 0.14 0.08 -0.04 1.21 1.52 1o90A1 ILE 228 HG23 0.32 -0.01 -0.14 -0.04 0.93 1.05 1o90A1 ILE 228 HD13 0.31 -0.03 -0.11 -0.04 0.88 1.01 1o90A1 LYS 229 H 0.06 0.57 0.03 -0.55 8.42 8.52 1o90A1 LYS 229 HA 0.07 0.06 0.43 -0.75 4.32 4.14 1o90A1 LYS 229 HB2 0.02 0.17 0.20 -0.04 1.87 2.22 1o90A1 LYS 229 HB3 0.03 -0.05 0.10 -0.04 1.79 1.84 1o90A1 LYS 229 HG2 0.06 -0.04 0.04 -0.04 1.46 1.48 1o90A1 LYS 229 HG3 0.04 0.04 0.09 -0.04 1.46 1.59 1o90A1 LYS 229 HD2 -0.03 -0.05 -0.04 -0.04 1.69 1.52 1o90A1 LYS 229 HD3 -0.02 -0.03 -0.07 -0.04 1.68 1.52 1o90A1 LYS 229 HE2 0.01 0.03 0.01 -0.04 2.99 3.01 1o90A1 LYS 229 HE3 0.02 -0.01 0.00 -0.04 2.99 2.96 1o90A1 ALA 230 H 0.04 0.08 -0.95 -0.55 8.40 7.02 1o90A1 ALA 230 HA 0.02 0.11 0.60 -0.75 4.34 4.32 1o90A1 ALA 230 HB3 0.01 0.02 -0.05 -0.04 1.41 1.35 1o90A1 VAL 231 H 0.05 0.25 -0.31 -0.55 8.24 7.68 1o90A1 VAL 231 HA 0.03 0.18 0.92 -0.75 4.13 4.50 1o90A1 VAL 231 HB 0.04 -0.12 -0.06 -0.04 2.12 1.94 1o90A1 VAL 231 HG13 0.02 0.02 -0.19 -0.04 0.97 0.78 1o90A1 VAL 231 HG23 0.06 0.06 -0.03 -0.04 0.95 1.00 1o90A1 VAL 232 H 0.08 0.54 0.16 -0.55 8.24 8.46 1o90A1 VAL 232 HA 0.11 0.10 0.69 -0.75 4.13 4.28 1o90A1 VAL 232 HB 0.11 0.03 0.05 -0.04 2.12 2.27 1o90A1 VAL 232 HG13 0.15 0.00 -0.17 -0.04 0.97 0.91 1o90A1 VAL 232 HG23 0.10 0.00 -0.01 -0.04 0.95 0.99 1o90A1 PRO 233 HA 0.03 0.05 0.39 -0.51 4.44 4.40 1o90A1 PRO 233 HB2 0.03 -0.08 0.10 -0.04 2.28 2.29 1o90A1 PRO 233 HB3 -0.01 0.03 0.11 -0.04 2.02 2.11 1o90A1 PRO 233 HG2 0.26 0.02 0.10 -0.04 2.03 2.37 1o90A1 PRO 233 HG3 0.10 0.11 0.09 -0.04 2.03 2.29 1o90A1 PRO 233 HD2 0.31 -0.00 0.19 -0.04 3.68 4.13 1o90A1 PRO 233 HD3 0.13 0.40 0.37 -0.04 3.65 4.52 1o90A1 ALA 234 H -0.02 0.17 0.19 -0.55 8.40 8.20 1o90A1 ALA 234 HA 0.00 0.11 0.43 -0.75 4.34 4.13 1o90A1 ALA 234 HB3 -0.03 0.01 0.12 -0.04 1.41 1.47 1o90A1 LYS 235 H -0.20 0.01 -0.31 -0.55 8.42 7.37 1o90A1 LYS 235 HA -0.17 0.05 0.34 -0.75 4.32 3.79 1o90A1 LYS 235 HB2 -0.29 -0.05 0.08 -0.04 1.87 1.57 1o90A1 LYS 235 HB3 -0.85 -0.03 -0.02 -0.04 1.79 0.85 1o90A1 LYS 235 HG2 -0.43 0.11 -0.13 -0.04 1.46 0.97 1o90A1 LYS 235 HG3 -0.20 -0.02 0.06 -0.04 1.46 1.25 1o90A1 LYS 235 HD2 -0.22 -0.05 0.01 -0.04 1.69 1.39 1o90A1 LYS 235 HD3 -0.47 0.01 -0.03 -0.04 1.68 1.14 1o90A1 LYS 235 HE2 -0.08 -0.04 0.02 -0.04 2.99 2.84 1o90A1 LYS 235 HE3 -0.04 -0.01 0.01 -0.04 2.99 2.91 1o90A1 TYR 236 H -0.24 0.39 -0.33 -0.55 8.29 7.56 1o90A1 TYR 236 HA -0.01 0.27 0.92 -0.75 4.56 4.99 1o90A1 TYR 236 HB2 0.01 0.09 -0.03 -0.04 3.06 3.09 1o90A1 TYR 236 HB3 -0.01 -0.25 0.01 -0.04 2.98 2.70 1o90A1 TYR 236 HD2 -0.02 0.09 -0.24 -0.04 7.15 6.95 1o90A1 TYR 236 HE2 -0.03 0.11 -0.09 -0.04 6.85 6.80 1o90A1 LEU 237 H 0.06 0.29 -0.07 -0.55 8.37 8.11 1o90A1 LEU 237 HA 0.08 -0.03 0.62 -0.75 4.35 4.26 1o90A1 LEU 237 HB2 0.07 0.05 0.11 -0.04 1.64 1.83 1o90A1 LEU 237 HB3 0.11 0.01 0.01 -0.04 1.64 1.74 1o90A1 LEU 237 HG 0.11 0.04 -0.14 -0.04 1.64 1.62 1o90A1 LEU 237 HD13 0.13 0.01 -0.06 -0.04 0.93 0.96 1o90A1 LEU 237 HD23 0.14 -0.02 -0.07 -0.04 0.89 0.90 1o90A1 ASP 238 H 0.04 0.10 0.26 -0.55 8.40 8.25 1o90A1 ASP 238 HA 0.02 0.30 0.90 -0.75 4.63 5.10 1o90A1 ASP 238 HB2 0.01 0.21 -0.01 -0.04 2.71 2.87 1o90A1 ASP 238 HB3 -0.01 -0.29 0.15 -0.04 2.70 2.51 1o90A1 GLU 239 H 0.01 0.17 0.20 -0.55 8.60 8.44 1o90A1 GLU 239 HA 0.04 0.19 0.71 -0.75 4.29 4.48 1o90A1 GLU 239 HB2 0.01 -0.02 0.14 -0.04 2.09 2.17 1o90A1 GLU 239 HB3 0.01 0.02 0.03 -0.04 1.99 2.01 1o90A1 GLU 239 HG2 0.02 0.05 0.08 -0.04 2.34 2.45 1o90A1 GLU 239 HG3 0.01 0.01 0.02 -0.04 2.34 2.34 1o90A1 ASP 240 H -0.01 -0.08 -0.00 -0.55 8.40 7.76 1o90A1 ASP 240 HA -0.01 0.23 0.84 -0.75 4.63 4.94 1o90A1 ASP 240 HB2 -0.06 -0.00 0.02 -0.04 2.71 2.63 1o90A1 ASP 240 HB3 -0.07 0.02 0.09 -0.04 2.70 2.70 1o90A1 THR 241 H -0.02 -0.15 -0.19 -0.55 8.28 7.37 1o90A1 THR 241 HA -0.14 0.25 0.49 -0.75 4.39 4.23 1o90A1 THR 241 HB -0.03 0.04 0.08 -0.04 4.32 4.37 1o90A1 THR 241 HG23 -0.49 0.01 -0.26 -0.04 1.22 0.43 1o90A1 ILE 242 H -0.15 0.72 0.54 -0.55 8.25 8.81 1o90A1 ILE 242 HA -0.08 0.14 0.85 -0.75 4.18 4.33 1o90A1 ILE 242 HB -0.00 -0.11 0.22 -0.04 1.89 1.96 1o90A1 ILE 242 HG12 -0.03 0.03 0.05 -0.04 1.49 1.49 1o90A1 ILE 242 HG13 -0.09 0.19 0.18 -0.04 1.21 1.46 1o90A1 ILE 242 HG23 -0.25 -0.02 -0.10 -0.04 0.93 0.52 1o90A1 ILE 242 HD13 0.13 -0.04 0.01 -0.04 0.88 0.94 1o90A1 TYR 243 H 0.03 0.23 0.22 -0.55 8.29 8.23 1o90A1 TYR 243 HA -0.04 0.23 1.11 -0.75 4.56 5.11 1o90A1 TYR 243 HB2 -0.04 -0.00 0.13 -0.04 3.06 3.11 1o90A1 TYR 243 HB3 0.00 -0.04 0.00 -0.04 2.98 2.90 1o90A1 TYR 243 HD2 0.00 0.01 -0.04 -0.04 7.15 7.09 1o90A1 TYR 243 HE2 0.02 0.04 -0.06 -0.04 6.85 6.81 1o90A1 HIS 244 H 0.16 0.71 0.27 -0.55 8.41 9.00 1o90A1 HIS 244 HA 0.10 0.16 0.82 -0.75 4.63 4.95 1o90A1 HIS 244 HB2 0.08 -0.00 0.23 -0.04 3.26 3.53 1o90A1 HIS 244 HB3 0.07 -0.05 0.11 -0.04 3.20 3.29 1o90A1 HIS 244 HD2 0.05 -0.02 -0.20 -0.04 6.97 6.76 1o90A1 HIS 244 HE1 0.05 -0.00 -0.03 -0.04 7.75 7.72 1o90A1 LEU 245 H 0.15 0.24 -0.02 -0.55 8.37 8.19 1o90A1 LEU 245 HA 0.16 0.21 0.97 -0.75 4.35 4.92 1o90A1 LEU 245 HB2 0.08 -0.01 0.15 -0.04 1.64 1.82 1o90A1 LEU 245 HB3 0.12 0.01 0.04 -0.04 1.64 1.77 1o90A1 LEU 245 HG 0.13 -0.04 -0.08 -0.04 1.64 1.61 1o90A1 LEU 245 HD13 0.01 -0.03 0.04 -0.04 0.93 0.91 1o90A1 LEU 245 HD23 0.21 0.00 -0.20 -0.04 0.89 0.86 1o90A1 GLN 246 H 0.16 0.69 0.40 -0.55 8.47 9.17 1o90A1 GLN 246 HA 0.18 -0.05 0.39 -0.75 4.36 4.13 1o90A1 GLN 246 HB2 0.08 0.12 0.25 -0.04 2.15 2.56 1o90A1 GLN 246 HB3 0.14 0.24 0.23 -0.04 2.02 2.59 1o90A1 GLN 246 HG2 0.12 -0.09 -0.26 -0.04 2.40 2.13 1o90A1 GLN 246 HG3 0.06 -0.04 -0.05 -0.04 2.39 2.32 1o90A1 GLN 246 HE21 0.32 0.59 0.19 -0.04 6.97 8.03 1o90A1 GLN 246 HE22 0.18 -0.06 0.00 -0.04 7.69 7.77 1o90A1 PRO 247 HA 0.09 0.11 0.29 -0.51 4.44 4.42 1o90A1 PRO 247 HB2 0.04 -0.01 -0.04 -0.04 2.28 2.23 1o90A1 PRO 247 HB3 0.02 0.05 -0.01 -0.04 2.02 2.03 1o90A1 PRO 247 HG2 0.08 0.03 -0.04 -0.04 2.03 2.07 1o90A1 PRO 247 HG3 0.15 0.01 -0.22 -0.04 2.03 1.93 1o90A1 PRO 247 HD2 0.12 0.03 0.05 -0.04 3.68 3.84 1o90A1 PRO 247 HD3 0.14 0.13 0.08 -0.04 3.65 3.96 1o90A1 SER 248 H 0.08 0.11 -0.22 -0.55 8.46 7.88 1o90A1 SER 248 HA 0.03 0.13 0.53 -0.75 4.49 4.42 1o90A1 SER 248 HB2 0.04 0.03 -0.06 -0.04 3.95 3.91 1o90A1 SER 248 HB3 0.01 0.01 0.12 -0.04 3.93 4.03 1o90A1 GLY 249 H 0.07 0.33 -0.85 -0.55 8.43 7.44 1o90A1 GLY 249 HA2 0.06 0.06 0.31 -0.51 4.01 3.93 1o90A1 GLY 249 HA3 0.06 -0.02 0.48 -0.51 4.01 4.02 1o90A1 ARG 250 H 0.10 0.12 0.23 -0.55 8.46 8.36 1o90A1 ARG 250 HA 0.39 0.15 0.62 -0.75 4.34 4.75 1o90A1 ARG 250 HB2 0.12 0.01 0.10 -0.04 1.90 2.08 1o90A1 ARG 250 HB3 0.25 -0.06 0.07 -0.04 1.80 2.01 1o90A1 ARG 250 HG2 0.10 -0.07 0.00 -0.04 1.67 1.66 1o90A1 ARG 250 HG3 0.09 0.01 0.05 -0.04 1.67 1.78 1o90A1 ARG 250 HD2 0.15 0.07 -0.02 -0.04 3.22 3.38 1o90A1 ARG 250 HD3 0.04 -0.06 0.02 -0.04 3.22 3.18 1o90A1 PHE 251 H 0.21 0.21 -0.04 -0.55 8.34 8.17 1o90A1 PHE 251 HA -0.03 0.04 0.50 -0.75 4.62 4.38 1o90A1 PHE 251 HB2 0.08 0.08 -0.27 -0.04 3.15 2.99 1o90A1 PHE 251 HB3 0.08 0.20 0.06 -0.04 3.06 3.36 1o90A1 PHE 251 HD2 0.03 -0.06 -0.26 -0.04 7.28 6.94 1o90A1 PHE 251 HE2 0.07 -0.10 -0.15 -0.04 7.38 7.16 1o90A1 PHE 251 HZ 0.08 -0.02 -0.18 -0.04 7.32 7.16 1o90A1 VAL 252 H 0.02 0.11 0.04 -0.55 8.24 7.86 1o90A1 VAL 252 HA -0.37 0.40 0.98 -0.75 4.13 4.38 1o90A1 VAL 252 HB 0.03 -0.20 0.20 -0.04 2.12 2.11 1o90A1 VAL 252 HG13 0.05 0.06 -0.12 -0.04 0.97 0.92 1o90A1 VAL 252 HG23 0.08 0.01 -0.03 -0.04 0.95 0.97 1o90A1 ILE 253 H 0.05 0.07 0.11 -0.55 8.25 7.93 1o90A1 ILE 253 HA 0.08 0.38 0.60 -0.75 4.18 4.49 1o90A1 ILE 253 HB 0.04 -0.04 0.03 -0.04 1.89 1.88 1o90A1 ILE 253 HG12 0.04 -0.12 0.08 -0.04 1.49 1.45 1o90A1 ILE 253 HG13 0.03 -0.01 0.05 -0.04 1.21 1.24 1o90A1 ILE 253 HG23 0.04 0.10 0.11 -0.04 0.93 1.14 1o90A1 ILE 253 HD13 0.05 0.01 -0.03 -0.04 0.88 0.87 1o90A1 GLY 254 H 0.23 -0.09 -0.74 -0.55 8.43 7.28 1o90A1 GLY 254 HA2 0.06 -0.01 0.29 -0.51 4.01 3.84 1o90A1 GLY 254 HA3 0.29 -0.03 0.21 -0.51 4.01 3.97 1o90A1 GLY 255 H 0.43 0.02 -0.13 -0.55 8.43 8.20 1o90A1 GLY 255 HA2 0.32 -0.04 0.30 -0.51 4.01 4.08 1o90A1 GLY 255 HA3 0.20 0.30 0.33 -0.51 4.01 4.33 1o90A1 PRO 256 HA 0.05 -0.01 0.56 -0.51 4.44 4.53 1o90A1 PRO 256 HB2 0.08 -0.09 0.10 -0.04 2.28 2.33 1o90A1 PRO 256 HB3 0.00 0.21 0.00 -0.04 2.02 2.19 1o90A1 PRO 256 HG2 0.01 -0.04 0.03 -0.04 2.03 1.99 1o90A1 PRO 256 HG3 -0.68 0.06 0.02 -0.04 2.03 1.38 1o90A1 PRO 256 HD2 0.04 0.24 0.03 -0.04 3.68 3.95 1o90A1 PRO 256 HD3 -0.05 0.15 0.14 -0.04 3.65 3.85 1o90A1 GLN 257 H 0.02 0.24 0.13 -0.55 8.47 8.31 1o90A1 GLN 257 HA -0.00 -0.01 0.72 -0.75 4.36 4.31 1o90A1 GLN 257 HB2 0.01 0.35 -0.06 -0.04 2.15 2.40 1o90A1 GLN 257 HB3 -0.02 -0.25 0.19 -0.04 2.02 1.91 1o90A1 GLN 257 HG2 -0.04 -0.01 0.06 -0.04 2.40 2.36 1o90A1 GLN 257 HG3 -0.03 0.07 0.02 -0.04 2.39 2.41 1o90A1 GLN 257 HE21 -0.03 0.02 -0.02 -0.04 6.97 6.90 1o90A1 GLN 257 HE22 -0.03 0.04 -0.01 -0.04 7.69 7.65 1o90A1 GLY 258 H -0.03 0.26 0.15 -0.55 8.43 8.27 1o90A1 GLY 258 HA2 -0.05 0.05 0.35 -0.51 4.01 3.85 1o90A1 GLY 258 HA3 -0.07 0.03 0.39 -0.51 4.01 3.85 1o90A1 ASP 259 H -0.03 -0.00 -0.45 -0.55 8.40 7.37 1o90A1 ASP 259 HA -0.02 -0.02 0.28 -0.75 4.63 4.11 1o90A1 ASP 259 HB2 -0.02 0.23 -0.01 -0.04 2.71 2.87 1o90A1 ASP 259 HB3 -0.02 0.00 0.08 -0.04 2.70 2.73 1o90A1 ALA 260 H -0.02 0.48 -0.48 -0.55 8.40 7.83 1o90A1 ALA 260 HA 0.00 0.10 0.49 -0.75 4.34 4.18 1o90A1 ALA 260 HB3 -0.00 0.03 0.09 -0.04 1.41 1.48 1o90A1 GLY 261 H 0.02 0.81 0.38 -0.55 8.43 9.10 1o90A1 GLY 261 HA2 0.00 0.07 0.79 -0.51 4.01 4.36 1o90A1 GLY 261 HA3 0.02 -0.01 0.18 -0.51 4.01 3.68 1o90A1 VAL 262 H 0.03 0.10 0.12 -0.55 8.24 7.95 1o90A1 VAL 262 HA 0.01 0.33 0.96 -0.75 4.13 4.68 1o90A1 VAL 262 HB 0.01 -0.06 -0.03 -0.04 2.12 2.00 1o90A1 VAL 262 HG13 -0.00 0.02 -0.06 -0.04 0.97 0.89 1o90A1 VAL 262 HG23 0.00 0.01 -0.24 -0.04 0.95 0.68 1o90A1 THR 263 H 0.00 0.30 0.24 -0.55 8.28 8.28 1o90A1 THR 263 HA 0.02 0.08 0.70 -0.75 4.39 4.43 1o90A1 THR 263 HB -0.00 0.05 0.15 -0.04 4.32 4.47 1o90A1 THR 263 HG23 0.01 0.03 -0.09 -0.04 1.22 1.13 1o90A1 GLY 264 H -0.00 0.13 0.18 -0.55 8.43 8.20 1o90A1 GLY 264 HA2 -0.06 -0.06 0.33 -0.51 4.01 3.71 1o90A1 GLY 264 HA3 -0.05 0.20 0.48 -0.51 4.01 4.13 1o90A1 ARG 265 H -0.01 0.17 -0.28 -0.55 8.46 7.78 1o90A1 ARG 265 HA -0.04 0.26 0.78 -0.75 4.34 4.59 1o90A1 ARG 265 HB2 0.00 0.04 -0.18 -0.04 1.90 1.72 1o90A1 ARG 265 HB3 0.02 -0.03 -0.04 -0.04 1.80 1.72 1o90A1 ARG 265 HG2 -0.02 0.01 0.11 -0.04 1.67 1.72 1o90A1 ARG 265 HG3 -0.01 0.05 -0.04 -0.04 1.67 1.63 1o90A1 ARG 265 HD2 0.01 -0.05 0.05 -0.04 3.22 3.20 1o90A1 ARG 265 HD3 0.00 0.04 0.02 -0.04 3.22 3.23 1o90A1 LYS 266 H -0.03 0.06 -0.22 -0.55 8.42 7.67 1o90A1 LYS 266 HA -0.04 0.23 0.82 -0.75 4.32 4.57 1o90A1 LYS 266 HB2 -0.00 -0.01 0.01 -0.04 1.87 1.82 1o90A1 LYS 266 HB3 -0.01 0.02 0.18 -0.04 1.79 1.94 1o90A1 LYS 266 HG2 -0.12 0.02 0.01 -0.04 1.46 1.33 1o90A1 LYS 266 HG3 -0.06 -0.05 0.06 -0.04 1.46 1.37 1o90A1 LYS 266 HD2 -0.02 0.24 -0.03 -0.04 1.69 1.84 1o90A1 LYS 266 HD3 0.02 -0.07 -0.14 -0.04 1.68 1.45 1o90A1 LYS 266 HE2 -0.48 -0.03 -0.00 -0.04 2.99 2.44 1o90A1 LYS 266 HE3 -0.11 -0.00 -0.00 -0.04 2.99 2.84 1o90A1 ILE 267 H -0.11 0.31 -0.39 -0.55 8.25 7.51 1o90A1 ILE 267 HA -0.20 0.08 0.30 -0.75 4.18 3.60 1o90A1 ILE 267 HB -0.23 0.05 0.00 -0.04 1.89 1.68 1o90A1 ILE 267 HG12 -0.18 0.12 -0.07 -0.04 1.49 1.32 1o90A1 ILE 267 HG13 -0.25 0.15 -0.22 -0.04 1.21 0.85 1o90A1 ILE 267 HG23 -0.83 -0.00 -0.24 -0.04 0.93 -0.17 1o90A1 ILE 267 HD13 -0.32 -0.05 0.02 -0.04 0.88 0.49 1o90A1 ILE 268 H -0.09 0.14 -0.16 -0.55 8.25 7.59 1o90A1 ILE 268 HA 0.03 0.14 0.64 -0.75 4.18 4.23 1o90A1 ILE 268 HB -0.01 0.06 0.02 -0.04 1.89 1.92 1o90A1 ILE 268 HG12 -0.12 -0.02 -0.04 -0.04 1.49 1.27 1o90A1 ILE 268 HG13 -0.04 0.11 -0.03 -0.04 1.21 1.20 1o90A1 ILE 268 HG23 0.08 -0.01 -0.07 -0.04 0.93 0.88 1o90A1 ILE 268 HD13 -0.06 0.01 -0.11 -0.04 0.88 0.69 1o90A1 VAL 269 H 0.01 0.13 -0.15 -0.55 8.24 7.68 1o90A1 VAL 269 HA 0.10 0.15 0.56 -0.75 4.13 4.18 1o90A1 VAL 269 HB 0.13 0.07 0.22 -0.04 2.12 2.50 1o90A1 VAL 269 HG13 0.01 -0.00 -0.04 -0.04 0.97 0.89 1o90A1 VAL 269 HG23 0.04 0.02 -0.07 -0.04 0.95 0.90 1o90A1 ASP 270 H 0.04 0.13 -0.52 -0.55 8.40 7.50 1o90A1 ASP 270 HA 0.18 0.07 0.64 -0.75 4.63 4.77 1o90A1 ASP 270 HB2 -0.08 0.07 0.08 -0.04 2.71 2.73 1o90A1 ASP 270 HB3 -0.14 0.00 0.09 -0.04 2.70 2.62 1o90A1 THR 271 H 0.11 0.11 -0.49 -0.55 8.28 7.45 1o90A1 THR 271 HA -0.09 0.27 1.12 -0.75 4.39 4.93 1o90A1 THR 271 HB 0.08 -0.02 0.20 -0.04 4.32 4.54 1o90A1 THR 271 HG23 0.27 0.02 -0.04 -0.04 1.22 1.43 1o90A1 TYR 272 H 0.25 0.03 0.20 -0.55 8.29 8.22 1o90A1 TYR 272 HA 0.31 0.41 0.98 -0.75 4.56 5.50 1o90A1 TYR 272 HB2 0.15 -0.31 0.13 -0.04 3.06 2.99 1o90A1 TYR 272 HB3 0.16 0.07 0.17 -0.04 2.98 3.35 1o90A1 TYR 272 HD2 0.27 -0.01 0.01 -0.04 7.15 7.38 1o90A1 TYR 272 HE2 0.12 0.16 0.02 -0.04 6.85 7.12 1o90A1 GLY 273 H 0.21 0.42 0.06 -0.55 8.43 8.57 1o90A1 GLY 273 HA2 0.15 0.04 0.29 -0.51 4.01 3.98 1o90A1 GLY 273 HA3 0.22 0.07 0.43 -0.51 4.01 4.22 1o90A1 GLY 274 H 0.21 -0.06 -0.14 -0.55 8.43 7.89 1o90A1 GLY 274 HA2 0.10 -0.03 0.19 -0.51 4.01 3.76 1o90A1 GLY 274 HA3 0.13 0.17 0.49 -0.51 4.01 4.29 1o90A1 TRP 275 H 0.27 -0.06 -0.30 -0.55 7.97 7.32 1o90A1 TRP 275 HA -0.27 0.30 0.99 -0.75 4.62 4.89 1o90A1 TRP 275 HB2 -0.28 0.13 -0.05 -0.04 3.23 2.98 1o90A1 TRP 275 HB3 -0.53 -0.03 -0.03 -0.04 3.23 2.59 1o90A1 TRP 275 HD1 -0.64 0.03 -0.02 -0.04 7.22 6.55 1o90A1 TRP 275 HE1 -0.29 -0.01 -0.03 -0.04 10.20 9.83 1o90A1 TRP 275 HE3 -0.61 0.07 -0.09 -0.04 7.59 6.92 1o90A1 TRP 275 HZ2 -0.42 -0.02 -0.08 -0.04 7.44 6.88 1o90A1 TRP 275 HZ3 -0.34 -0.09 -0.09 -0.04 7.13 6.58 1o90A1 TRP 275 HH2 -1.67 -0.00 -0.10 -0.04 7.19 5.38 1o90A1 GLY 276 H 0.01 -0.13 -0.03 -0.55 8.43 7.73 1o90A1 GLY 276 HA2 -0.44 0.21 0.60 -0.51 4.01 3.88 1o90A1 GLY 276 HA3 -0.31 -0.04 0.34 -0.51 4.01 3.49 1o90A1 ALA 277 H -0.06 0.33 0.15 -0.55 8.40 8.27 1o90A1 ALA 277 HA -0.25 0.14 0.43 -0.75 4.34 3.91 1o90A1 ALA 277 HB3 -1.21 0.04 -0.09 -0.04 1.41 0.11 1o90A1 HIS 278 H -0.04 0.31 0.06 -0.55 8.41 8.20 1o90A1 HIS 278 HA 0.25 0.15 0.91 -0.75 4.63 5.18 1o90A1 HIS 278 HB2 0.08 -0.05 -0.27 -0.04 3.26 2.98 1o90A1 HIS 278 HB3 0.03 0.04 0.01 -0.04 3.20 3.24 1o90A1 HIS 278 HD2 0.09 -0.11 -0.01 -0.04 6.97 6.89 1o90A1 HIS 278 HE1 -0.24 0.51 -0.00 -0.04 7.75 7.97 1o90A1 GLY 279 H 0.29 0.19 0.18 -0.55 8.43 8.54 1o90A1 GLY 279 HA2 0.24 0.15 0.53 -0.51 4.01 4.42 1o90A1 GLY 279 HA3 0.20 0.10 0.38 -0.51 4.01 4.18 1o90A1 GLY 280 H 0.72 0.01 -0.18 -0.55 8.43 8.43 1o90A1 GLY 280 HA2 -0.04 -0.01 0.19 -0.51 4.01 3.64 1o90A1 GLY 280 HA3 0.04 0.25 0.77 -0.51 4.01 4.56 1o90A1 GLY 281 H 0.14 -0.02 -0.06 -0.55 8.43 7.94 1o90A1 GLY 281 HA2 -0.02 0.08 0.47 -0.51 4.01 4.03 1o90A1 GLY 281 HA3 0.00 0.02 0.30 -0.51 4.01 3.82 1o90A1 ALA 282 H -0.08 0.14 0.20 -0.55 8.40 8.11 1o90A1 ALA 282 HA -0.33 0.06 0.70 -0.75 4.34 4.02 1o90A1 ALA 282 HB3 -0.10 0.02 0.09 -0.04 1.41 1.38 1o90A1 PHE 283 H -0.27 0.01 0.13 -0.55 8.34 7.66 1o90A1 PHE 283 HA -0.15 0.19 0.67 -0.75 4.62 4.57 1o90A1 PHE 283 HB2 -0.19 -0.13 0.17 -0.04 3.15 2.95 1o90A1 PHE 283 HB3 -0.05 0.06 -0.05 -0.04 3.06 2.98 1o90A1 PHE 283 HD2 -0.91 -0.00 -0.17 -0.04 7.28 6.16 1o90A1 PHE 283 HE2 -0.32 0.21 0.04 -0.04 7.38 7.26 1o90A1 PHE 283 HZ 0.08 -0.03 0.03 -0.04 7.32 7.35 1o90A1 SER 284 H 0.17 0.00 0.12 -0.55 8.46 8.20 1o90A1 SER 284 HA 0.09 0.05 0.43 -0.75 4.49 4.31 1o90A1 SER 284 HB2 0.06 -0.17 0.16 -0.04 3.95 3.96 1o90A1 SER 284 HB3 0.06 0.15 0.10 -0.04 3.93 4.20 1o90A1 GLY 285 H -0.01 0.12 0.05 -0.55 8.43 8.04 1o90A1 GLY 285 HA2 -0.02 -0.02 0.22 -0.51 4.01 3.68 1o90A1 GLY 285 HA3 -0.02 0.35 0.80 -0.51 4.01 4.63 1o90A1 LYS 286 H -0.08 0.40 -0.10 -0.55 8.42 8.09 1o90A1 LYS 286 HA -0.11 0.21 0.99 -0.75 4.32 4.66 1o90A1 LYS 286 HB2 -0.09 0.13 0.16 -0.04 1.87 2.02 1o90A1 LYS 286 HB3 -0.11 -0.09 0.11 -0.04 1.79 1.66 1o90A1 LYS 286 HG2 -0.07 -0.04 -0.07 -0.04 1.46 1.24 1o90A1 LYS 286 HG3 -0.05 0.03 -0.30 -0.04 1.46 1.10 1o90A1 LYS 286 HD2 -0.03 0.29 0.05 -0.04 1.69 1.96 1o90A1 LYS 286 HD3 -0.06 -0.15 0.01 -0.04 1.68 1.44 1o90A1 LYS 286 HE2 -0.05 -0.05 -0.05 -0.04 2.99 2.81 1o90A1 LYS 286 HE3 -0.04 0.00 -0.14 -0.04 2.99 2.77 1o90A1 ASP 287 H -0.18 0.35 0.31 -0.55 8.40 8.33 1o90A1 ASP 287 HA -0.27 0.16 0.56 -0.75 4.63 4.33 1o90A1 ASP 287 HB2 -0.36 0.02 0.26 -0.04 2.71 2.60 1o90A1 ASP 287 HB3 -0.17 -0.01 0.23 -0.04 2.70 2.71 1o90A1 TYR 288 H -0.14 0.27 0.19 -0.55 8.29 8.06 1o90A1 TYR 288 HA -0.11 0.06 0.43 -0.75 4.56 4.19 1o90A1 TYR 288 HB2 0.04 -0.09 0.12 -0.04 3.06 3.09 1o90A1 TYR 288 HB3 0.15 0.27 0.20 -0.04 2.98 3.55 1o90A1 TYR 288 HD2 0.06 -0.02 -0.05 -0.04 7.15 7.10 1o90A1 TYR 288 HE2 0.04 0.03 -0.01 -0.04 6.85 6.87 1o90A1 THR 289 H -0.50 0.06 -0.41 -0.55 8.28 6.89 1o90A1 THR 289 HA -0.09 0.17 0.68 -0.75 4.39 4.40 1o90A1 THR 289 HB -0.14 -0.01 0.02 -0.04 4.32 4.15 1o90A1 THR 289 HG23 -0.16 0.01 -0.06 -0.04 1.22 0.98 1o90A1 LYS 290 H -0.18 0.39 -0.21 -0.55 8.42 7.87 1o90A1 LYS 290 HA -0.12 0.11 0.68 -0.75 4.32 4.24 1o90A1 LYS 290 HB2 -0.14 0.21 0.16 -0.04 1.87 2.06 1o90A1 LYS 290 HB3 -0.10 -0.13 0.03 -0.04 1.79 1.55 1o90A1 LYS 290 HG2 -0.09 0.05 0.05 -0.04 1.46 1.42 1o90A1 LYS 290 HG3 -0.09 0.01 0.03 -0.04 1.46 1.36 1o90A1 LYS 290 HD2 -0.14 -0.11 -0.15 -0.04 1.69 1.24 1o90A1 LYS 290 HD3 -0.15 0.01 0.09 -0.04 1.68 1.58 1o90A1 LYS 290 HE2 -0.09 0.04 0.05 -0.04 2.99 2.95 1o90A1 LYS 290 HE3 -0.09 0.00 -0.02 -0.04 2.99 2.83 1o90A1 VAL 291 H -0.14 0.30 0.20 -0.55 8.24 8.05 1o90A1 VAL 291 HA -0.20 -0.02 0.30 -0.75 4.13 3.46 1o90A1 VAL 291 HB -0.35 -0.03 0.01 -0.04 2.12 1.70 1o90A1 VAL 291 HG13 -0.36 0.01 0.08 -0.04 0.97 0.66 1o90A1 VAL 291 HG23 -0.13 0.05 0.02 -0.04 0.95 0.85 1o90A1 ASP 292 H -0.09 0.07 -0.45 -0.55 8.40 7.39 1o90A1 ASP 292 HA -0.00 0.02 0.28 -0.75 4.63 4.17 1o90A1 ASP 292 HB2 -0.03 0.01 -0.00 -0.04 2.71 2.64 1o90A1 ASP 292 HB3 0.03 0.09 -0.14 -0.04 2.70 2.64 1o90A1 ARG 293 H -0.15 0.41 -0.31 -0.55 8.46 7.86 1o90A1 ARG 293 HA -0.51 0.14 0.70 -0.75 4.34 3.92 1o90A1 ARG 293 HB2 -0.20 0.05 0.05 -0.04 1.90 1.75 1o90A1 ARG 293 HB3 -0.37 -0.01 0.11 -0.04 1.80 1.49 1o90A1 ARG 293 HG2 -1.11 -0.02 -0.12 -0.04 1.67 0.38 1o90A1 ARG 293 HG3 -0.79 -0.07 -0.01 -0.04 1.67 0.76 1o90A1 ARG 293 HD2 -0.21 0.18 0.01 -0.04 3.22 3.16 1o90A1 ARG 293 HD3 -0.41 0.02 -0.07 -0.04 3.22 2.72 1o90A1 SER 294 H -0.28 0.35 0.05 -0.55 8.46 8.04 1o90A1 SER 294 HA -0.28 0.06 0.32 -0.75 4.49 3.83 1o90A1 SER 294 HB2 -0.11 -0.08 0.02 -0.04 3.95 3.74 1o90A1 SER 294 HB3 -0.03 -0.02 -0.04 -0.04 3.93 3.80 1o90A1 ALA 295 H -0.15 0.25 -0.05 -0.55 8.40 7.90 1o90A1 ALA 295 HA 0.06 0.02 0.37 -0.75 4.34 4.04 1o90A1 ALA 295 HB3 -0.02 0.07 0.04 -0.04 1.41 1.45 1o90A1 ALA 296 H -0.12 0.31 -0.53 -0.55 8.40 7.52 1o90A1 ALA 296 HA 0.10 0.01 0.44 -0.75 4.34 4.13 1o90A1 ALA 296 HB3 0.12 0.06 0.15 -0.04 1.41 1.69 1o90A1 TYR 297 H -0.25 0.52 -0.12 -0.55 8.29 7.89 1o90A1 TYR 297 HA -0.30 0.04 0.43 -0.75 4.56 3.98 1o90A1 TYR 297 HB2 -0.35 0.20 0.19 -0.04 3.06 3.06 1o90A1 TYR 297 HB3 -0.63 -0.06 -0.01 -0.04 2.98 2.24 1o90A1 TYR 297 HD2 -0.60 -0.04 -0.08 -0.04 7.15 6.39 1o90A1 TYR 297 HE2 -0.67 -0.02 -0.04 -0.04 6.85 6.07 1o90A1 ALA 298 H 0.10 0.59 -0.05 -0.55 8.40 8.50 1o90A1 ALA 298 HA 0.40 0.05 0.37 -0.75 4.34 4.40 1o90A1 ALA 298 HB3 0.20 0.01 0.02 -0.04 1.41 1.61 1o90A1 ALA 299 H 0.10 0.62 -0.29 -0.55 8.40 8.28 1o90A1 ALA 299 HA -0.00 -0.06 0.33 -0.75 4.34 3.86 1o90A1 ALA 299 HB3 0.06 0.05 -0.17 -0.04 1.41 1.31 1o90A1 ARG 300 H 0.06 0.49 -0.22 -0.55 8.46 8.23 1o90A1 ARG 300 HA 0.02 -0.12 0.57 -0.75 4.34 4.05 1o90A1 ARG 300 HB2 -0.62 -0.07 0.19 -0.04 1.90 1.36 1o90A1 ARG 300 HB3 -0.00 0.19 0.25 -0.04 1.80 2.19 1o90A1 ARG 300 HG2 0.24 -0.05 -0.03 -0.04 1.67 1.79 1o90A1 ARG 300 HG3 0.30 0.16 -0.33 -0.04 1.67 1.77 1o90A1 ARG 300 HD2 0.11 -0.07 0.15 -0.04 3.22 3.37 1o90A1 ARG 300 HD3 0.02 -0.07 0.11 -0.04 3.22 3.24 1o90A1 TRP 301 H 0.36 0.50 -0.13 -0.55 7.97 8.14 1o90A1 TRP 301 HA 0.14 0.35 0.41 -0.75 4.62 4.76 1o90A1 TRP 301 HB2 0.21 0.04 0.18 -0.04 3.23 3.62 1o90A1 TRP 301 HB3 -0.00 0.10 0.23 -0.04 3.23 3.52 1o90A1 TRP 301 HD1 0.16 0.11 -0.12 -0.04 7.22 7.33 1o90A1 TRP 301 HE1 0.16 0.43 -0.01 -0.04 10.20 10.74 1o90A1 TRP 301 HE3 0.12 -0.04 -0.01 -0.04 7.59 7.62 1o90A1 TRP 301 HZ2 0.16 0.02 -0.05 -0.04 7.44 7.54 1o90A1 TRP 301 HZ3 0.27 -0.08 -0.07 -0.04 7.13 7.21 1o90A1 TRP 301 HH2 0.18 -0.02 -0.03 -0.04 7.19 7.27 1o90A1 VAL 302 H -0.14 0.52 -0.09 -0.55 8.24 7.98 1o90A1 VAL 302 HA -0.69 0.02 0.27 -0.75 4.13 2.97 1o90A1 VAL 302 HB -0.69 -0.08 -0.02 -0.04 2.12 1.28 1o90A1 VAL 302 HG13 -1.35 0.08 -0.01 -0.04 0.97 -0.35 1o90A1 VAL 302 HG23 -0.21 0.03 -0.14 -0.04 0.95 0.59 1o90A1 ALA 303 H -0.05 0.44 -0.48 -0.55 8.40 7.76 1o90A1 ALA 303 HA -0.07 -0.12 0.25 -0.75 4.34 3.64 1o90A1 ALA 303 HB3 -0.04 0.04 -0.12 -0.04 1.41 1.25 1o90A1 LYS 304 H 0.06 0.81 -0.05 -0.55 8.42 8.68 1o90A1 LYS 304 HA 0.03 -0.05 0.33 -0.75 4.32 3.88 1o90A1 LYS 304 HB2 0.15 0.04 0.12 -0.04 1.87 2.13 1o90A1 LYS 304 HB3 0.19 0.14 0.07 -0.04 1.79 2.15 1o90A1 LYS 304 HG2 0.11 -0.05 -0.13 -0.04 1.46 1.35 1o90A1 LYS 304 HG3 0.09 -0.06 0.05 -0.04 1.46 1.50 1o90A1 LYS 304 HD2 0.18 -0.08 0.03 -0.04 1.69 1.78 1o90A1 LYS 304 HD3 0.19 0.05 -0.09 -0.04 1.68 1.79 1o90A1 LYS 304 HE2 0.09 -0.05 0.04 -0.04 2.99 3.03 1o90A1 LYS 304 HE3 0.09 0.07 -0.01 -0.04 2.99 3.10 1o90A1 SER 305 H 0.01 0.57 -0.24 -0.55 8.46 8.25 1o90A1 SER 305 HA 0.06 0.07 0.37 -0.75 4.49 4.23 1o90A1 SER 305 HB2 0.04 0.02 0.08 -0.04 3.95 4.05 1o90A1 SER 305 HB3 0.07 0.04 -0.04 -0.04 3.93 3.96 1o90A1 LEU 306 H -0.02 0.61 -0.21 -0.55 8.37 8.20 1o90A1 LEU 306 HA -0.03 -0.01 0.30 -0.75 4.35 3.87 1o90A1 LEU 306 HB2 -0.06 0.22 0.11 -0.04 1.64 1.87 1o90A1 LEU 306 HB3 -0.05 -0.11 -0.20 -0.04 1.64 1.24 1o90A1 LEU 306 HG -0.08 -0.08 -0.07 -0.04 1.64 1.36 1o90A1 LEU 306 HD13 -0.02 0.09 -0.07 -0.04 0.93 0.90 1o90A1 LEU 306 HD23 -0.08 -0.04 -0.16 -0.04 0.89 0.57 1o90A1 VAL 307 H -0.03 0.47 -0.18 -0.55 8.24 7.95 1o90A1 VAL 307 HA -0.01 0.13 0.33 -0.75 4.13 3.83 1o90A1 VAL 307 HB -0.03 0.01 -0.09 -0.04 2.12 1.97 1o90A1 VAL 307 HG13 -0.07 -0.01 -0.36 -0.04 0.97 0.49 1o90A1 VAL 307 HG23 -0.01 0.05 -0.15 -0.04 0.95 0.80 1o90A1 LYS 308 H 0.02 0.49 -0.27 -0.55 8.42 8.10 1o90A1 LYS 308 HA 0.03 0.01 0.42 -0.75 4.32 4.02 1o90A1 LYS 308 HB2 0.05 0.34 0.19 -0.04 1.87 2.41 1o90A1 LYS 308 HB3 0.05 0.05 0.01 -0.04 1.79 1.86 1o90A1 LYS 308 HG2 0.06 -0.00 0.02 -0.04 1.46 1.49 1o90A1 LYS 308 HG3 0.04 -0.06 0.08 -0.04 1.46 1.48 1o90A1 LYS 308 HD2 0.03 -0.07 0.01 -0.04 1.69 1.62 1o90A1 LYS 308 HD3 0.05 0.07 0.02 -0.04 1.68 1.77 1o90A1 LYS 308 HE2 0.04 0.11 0.05 -0.04 2.99 3.15 1o90A1 LYS 308 HE3 0.04 0.02 0.04 -0.04 2.99 3.06 1o90A1 ALA 309 H 0.05 0.44 -0.31 -0.55 8.40 8.03 1o90A1 ALA 309 HA 0.11 0.11 0.51 -0.75 4.34 4.32 1o90A1 ALA 309 HB3 0.19 0.00 0.15 -0.04 1.41 1.71 1o90A1 GLY 310 H 0.05 0.47 -0.84 -0.55 8.43 7.57 1o90A1 GLY 310 HA2 0.04 0.08 0.32 -0.51 4.01 3.95 1o90A1 GLY 310 HA3 0.08 0.03 0.36 -0.51 4.01 3.96 1o90A1 LEU 311 H 0.02 0.37 -0.54 -0.55 8.37 7.67 1o90A1 LEU 311 HA -0.03 0.03 0.44 -0.75 4.35 4.03 1o90A1 LEU 311 HB2 -0.11 0.12 -0.02 -0.04 1.64 1.60 1o90A1 LEU 311 HB3 -0.16 -0.23 0.07 -0.04 1.64 1.28 1o90A1 LEU 311 HG -0.22 0.29 -0.05 -0.04 1.64 1.62 1o90A1 LEU 311 HD13 -0.52 -0.03 -0.02 -0.04 0.93 0.32 1o90A1 LEU 311 HD23 -0.65 -0.03 -0.01 -0.04 0.89 0.16 1o90A1 CYS 312 H -0.00 0.37 -0.52 -0.55 8.50 7.79 1o90A1 CYS 312 HA 0.00 0.22 0.19 -0.75 4.58 4.23 1o90A1 CYS 312 HB2 0.00 -0.18 -0.12 -0.04 2.97 2.62 1o90A1 CYS 312 HB3 -0.02 0.11 -0.02 -0.04 2.97 2.99 1o90A1 ARG 313 H 0.02 0.07 0.07 -0.55 8.46 8.06 1o90A1 ARG 313 HA -0.01 0.27 0.85 -0.75 4.34 4.70 1o90A1 ARG 313 HB2 0.02 -0.05 0.08 -0.04 1.90 1.91 1o90A1 ARG 313 HB3 0.00 0.01 0.14 -0.04 1.80 1.91 1o90A1 ARG 313 HG2 0.01 0.06 -0.02 -0.04 1.67 1.68 1o90A1 ARG 313 HG3 0.02 0.08 0.02 -0.04 1.67 1.75 1o90A1 ARG 313 HD2 0.02 0.02 0.01 -0.04 3.22 3.23 1o90A1 ARG 313 HD3 0.02 -0.00 0.04 -0.04 3.22 3.24 1o90A1 ARG 314 H 0.02 -0.01 -0.06 -0.55 8.46 7.86 1o90A1 ARG 314 HA -0.15 0.36 0.75 -0.75 4.34 4.55 1o90A1 ARG 314 HB2 -0.02 0.12 -0.29 -0.04 1.90 1.68 1o90A1 ARG 314 HB3 0.15 -0.15 0.01 -0.04 1.80 1.77 1o90A1 ARG 314 HG2 0.11 -0.00 -0.18 -0.04 1.67 1.56 1o90A1 ARG 314 HG3 -0.21 0.09 0.04 -0.04 1.67 1.55 1o90A1 ARG 314 HD2 -0.07 0.04 -0.13 -0.04 3.22 3.03 1o90A1 ARG 314 HD3 -0.10 -0.05 -0.11 -0.04 3.22 2.92 1o90A1 VAL 315 H -0.23 0.71 0.30 -0.55 8.24 8.47 1o90A1 VAL 315 HA 0.07 0.26 1.06 -0.75 4.13 4.77 1o90A1 VAL 315 HB -0.04 -0.03 -0.23 -0.04 2.12 1.77 1o90A1 VAL 315 HG13 -0.04 -0.04 -0.27 -0.04 0.97 0.58 1o90A1 VAL 315 HG23 -0.09 0.00 -0.18 -0.04 0.95 0.65 1o90A1 LEU 316 H 0.09 0.29 0.07 -0.55 8.37 8.27 1o90A1 LEU 316 HA 0.24 0.37 1.05 -0.75 4.35 5.24 1o90A1 LEU 316 HB2 0.44 0.02 -0.02 -0.04 1.64 2.04 1o90A1 LEU 316 HB3 0.25 -0.04 0.27 -0.04 1.64 2.09 1o90A1 LEU 316 HG 0.16 0.02 -0.04 -0.04 1.64 1.74 1o90A1 LEU 316 HD13 0.38 -0.01 -0.22 -0.04 0.93 1.04 1o90A1 LEU 316 HD23 0.17 0.06 -0.01 -0.04 0.89 1.07 1o90A1 VAL 317 H 0.07 0.35 0.07 -0.55 8.24 8.18 1o90A1 VAL 317 HA -0.03 0.11 0.95 -0.75 4.13 4.41 1o90A1 VAL 317 HB -0.06 -0.08 -0.02 -0.04 2.12 1.92 1o90A1 VAL 317 HG13 -0.01 0.01 0.01 -0.04 0.97 0.94 1o90A1 VAL 317 HG23 -0.08 -0.01 -0.24 -0.04 0.95 0.57 1o90A1 GLN 318 H -0.04 0.97 0.43 -0.55 8.47 9.28 1o90A1 GLN 318 HA 0.01 0.23 1.01 -0.75 4.36 4.87 1o90A1 GLN 318 HB2 0.39 0.02 -0.07 -0.04 2.15 2.46 1o90A1 GLN 318 HB3 0.08 -0.11 0.24 -0.04 2.02 2.19 1o90A1 GLN 318 HG2 -0.09 0.01 -0.21 -0.04 2.40 2.07 1o90A1 GLN 318 HG3 -0.24 0.02 -0.11 -0.04 2.39 2.02 1o90A1 GLN 318 HE21 0.19 -0.01 -0.07 -0.04 6.97 7.05 1o90A1 GLN 318 HE22 0.06 0.03 -0.10 -0.04 7.69 7.63 1o90A1 VAL 319 H -0.11 0.70 0.24 -0.55 8.24 8.52 1o90A1 VAL 319 HA -0.16 0.14 1.08 -0.75 4.13 4.44 1o90A1 VAL 319 HB -0.10 -0.04 -0.11 -0.04 2.12 1.82 1o90A1 VAL 319 HG13 0.04 -0.01 -0.03 -0.04 0.97 0.93 1o90A1 VAL 319 HG23 -0.38 -0.01 -0.21 -0.04 0.95 0.31 1o90A1 SER 320 H -0.21 0.53 0.11 -0.55 8.46 8.35 1o90A1 SER 320 HA -0.08 0.12 1.09 -0.75 4.49 4.86 1o90A1 SER 320 HB2 -0.10 0.37 0.12 -0.04 3.95 4.29 1o90A1 SER 320 HB3 -0.06 0.00 0.13 -0.04 3.93 3.97 1o90A1 TYR 321 H 0.10 0.75 0.36 -0.55 8.29 8.95 1o90A1 TYR 321 HA -0.02 -0.02 0.96 -0.75 4.56 4.73 1o90A1 TYR 321 HB2 -0.03 -0.03 -0.02 -0.04 3.06 2.95 1o90A1 TYR 321 HB3 -0.02 0.08 -0.08 -0.04 2.98 2.93 1o90A1 TYR 321 HD2 -0.02 0.04 -0.18 -0.04 7.15 6.95 1o90A1 TYR 321 HE2 -0.01 0.07 -0.03 -0.04 6.85 6.84 1o90A1 ALA 322 H 0.12 0.29 0.11 -0.55 8.40 8.38 1o90A1 ALA 322 HA 0.04 0.10 0.94 -0.75 4.34 4.66 1o90A1 ALA 322 HB3 0.02 0.03 0.04 -0.04 1.41 1.46 1o90A1 ILE 323 H 0.02 0.06 0.08 -0.55 8.25 7.86 1o90A1 ILE 323 HA 0.01 0.28 0.22 -0.75 4.18 3.94 1o90A1 ILE 323 HB 0.01 -0.29 0.13 -0.04 1.89 1.70 1o90A1 ILE 323 HG12 -0.00 0.11 -0.11 -0.04 1.49 1.45 1o90A1 ILE 323 HG13 -0.01 -0.09 0.14 -0.04 1.21 1.22 1o90A1 ILE 323 HG23 0.01 0.02 0.10 -0.04 0.93 1.01 1o90A1 ILE 323 HD13 -0.01 0.00 0.09 -0.04 0.88 0.92 1o90A1 GLY 324 H 0.01 0.65 0.12 -0.55 8.43 8.66 1o90A1 GLY 324 HA2 0.01 0.00 0.31 -0.51 4.01 3.83 1o90A1 GLY 324 HA3 0.01 0.12 0.69 -0.51 4.01 4.32 1o90A1 VAL 325 H 0.03 0.33 -0.51 -0.55 8.24 7.54 1o90A1 VAL 325 HA 0.03 0.05 0.52 -0.75 4.13 3.98 1o90A1 VAL 325 HB 0.05 -0.00 0.05 -0.04 2.12 2.18 1o90A1 VAL 325 HG13 0.03 -0.00 -0.06 -0.04 0.97 0.89 1o90A1 VAL 325 HG23 0.02 0.02 -0.05 -0.04 0.95 0.89 1o90A1 ALA 326 H 0.04 0.14 0.17 -0.55 8.40 8.21 1o90A1 ALA 326 HA 0.08 -0.13 0.66 -0.75 4.34 4.19 1o90A1 ALA 326 HB3 0.05 0.04 -0.07 -0.04 1.41 1.39 1o90A1 GLU 327 H 0.05 0.03 0.07 -0.55 8.60 8.21 1o90A1 GLU 327 HA 0.06 0.05 0.39 -0.75 4.29 4.03 1o90A1 GLU 327 HB2 0.03 -0.05 0.12 -0.04 2.09 2.15 1o90A1 GLU 327 HB3 0.01 -0.00 0.04 -0.04 1.99 2.01 1o90A1 GLU 327 HG2 0.00 -0.01 -0.00 -0.04 2.34 2.29 1o90A1 GLU 327 HG3 -0.01 0.13 -0.03 -0.04 2.34 2.39 1o90A1 PRO 328 HA -0.40 0.04 0.43 -0.51 4.44 4.00 1o90A1 PRO 328 HB2 -0.29 -0.04 -0.13 -0.04 2.28 1.78 1o90A1 PRO 328 HB3 -0.60 0.06 0.00 -0.04 2.02 1.45 1o90A1 PRO 328 HG2 -0.08 -0.01 0.05 -0.04 2.03 1.95 1o90A1 PRO 328 HG3 -0.07 -0.02 -0.02 -0.04 2.03 1.88 1o90A1 PRO 328 HD2 0.03 -0.01 0.12 -0.04 3.68 3.78 1o90A1 PRO 328 HD3 0.06 0.27 -0.10 -0.04 3.65 3.84 1o90A1 LEU 329 H -0.20 0.34 0.26 -0.55 8.37 8.22 1o90A1 LEU 329 HA -0.06 0.10 0.67 -0.75 4.35 4.31 1o90A1 LEU 329 HB2 -0.02 -0.05 0.01 -0.04 1.64 1.54 1o90A1 LEU 329 HB3 -0.05 -0.02 -0.16 -0.04 1.64 1.38 1o90A1 LEU 329 HG -0.03 0.02 -0.03 -0.04 1.64 1.56 1o90A1 LEU 329 HD13 -0.01 -0.00 -0.02 -0.04 0.93 0.85 1o90A1 LEU 329 HD23 -0.01 -0.01 -0.06 -0.04 0.89 0.77 1o90A1 SER 330 H -0.10 0.31 -0.22 -0.55 8.46 7.90 1o90A1 SER 330 HA -0.08 -0.04 0.36 -0.75 4.49 3.97 1o90A1 SER 330 HB2 -0.05 -0.05 -0.15 -0.04 3.95 3.66 1o90A1 SER 330 HB3 -0.06 0.40 0.28 -0.04 3.93 4.51 1o90A1 ILE 331 H -0.10 0.16 0.16 -0.55 8.25 7.92 1o90A1 ILE 331 HA -0.13 0.32 1.06 -0.75 4.18 4.67 1o90A1 ILE 331 HB -0.14 0.00 -0.03 -0.04 1.89 1.68 1o90A1 ILE 331 HG12 -0.13 -0.11 -0.47 -0.04 1.49 0.74 1o90A1 ILE 331 HG13 -0.12 0.09 -0.17 -0.04 1.21 0.97 1o90A1 ILE 331 HG23 -0.09 -0.02 0.03 -0.04 0.93 0.82 1o90A1 ILE 331 HD13 -0.10 -0.01 -0.15 -0.04 0.88 0.58 1o90A1 SER 332 H -0.14 0.95 0.42 -0.55 8.46 9.14 1o90A1 SER 332 HA -0.28 0.10 0.97 -0.75 4.49 4.52 1o90A1 SER 332 HB2 -0.18 0.01 0.13 -0.04 3.95 3.86 1o90A1 SER 332 HB3 -0.78 0.03 0.01 -0.04 3.93 3.14 1o90A1 ILE 333 H -0.38 0.15 0.16 -0.55 8.25 7.63 1o90A1 ILE 333 HA -0.22 0.16 0.90 -0.75 4.18 4.26 1o90A1 ILE 333 HB -0.19 -0.12 0.12 -0.04 1.89 1.66 1o90A1 ILE 333 HG12 -0.17 -0.02 -0.13 -0.04 1.49 1.14 1o90A1 ILE 333 HG13 -0.12 -0.04 -0.20 -0.04 1.21 0.80 1o90A1 ILE 333 HG23 -0.11 0.00 -0.17 -0.04 0.93 0.61 1o90A1 ILE 333 HD13 -0.13 0.06 -0.23 -0.04 0.88 0.53 1o90A1 PHE 334 H -0.04 0.33 -0.03 -0.55 8.34 8.04 1o90A1 PHE 334 HA -0.14 0.18 1.16 -0.75 4.62 5.06 1o90A1 PHE 334 HB2 -0.09 0.17 0.29 -0.04 3.15 3.49 1o90A1 PHE 334 HB3 -0.30 0.03 0.06 -0.04 3.06 2.80 1o90A1 PHE 334 HD2 -0.03 0.08 0.01 -0.04 7.28 7.31 1o90A1 PHE 334 HE2 0.02 -0.01 -0.04 -0.04 7.38 7.30 1o90A1 PHE 334 HZ 0.00 -0.00 -0.05 -0.04 7.32 7.23 1o90A1 THR 335 H -0.05 0.12 0.09 -0.55 8.28 7.89 1o90A1 THR 335 HA -0.01 0.42 0.88 -0.75 4.39 4.93 1o90A1 THR 335 HB -0.02 -0.04 0.13 -0.04 4.32 4.35 1o90A1 THR 335 HG23 0.04 -0.07 0.13 -0.04 1.22 1.28 1o90A1 TYR 336 H 0.25 0.26 0.16 -0.55 8.29 8.41 1o90A1 TYR 336 HA 0.07 0.23 0.84 -0.75 4.56 4.95 1o90A1 TYR 336 HB2 0.07 0.02 0.13 -0.04 3.06 3.24 1o90A1 TYR 336 HB3 0.07 0.07 0.21 -0.04 2.98 3.29 1o90A1 TYR 336 HD2 0.07 0.03 -0.04 -0.04 7.15 7.17 1o90A1 TYR 336 HE2 0.12 -0.01 -0.15 -0.04 6.85 6.76 1o90A1 GLY 337 H 0.05 0.08 -0.37 -0.55 8.43 7.64 1o90A1 GLY 337 HA2 0.04 0.02 0.33 -0.51 4.01 3.90 1o90A1 GLY 337 HA3 0.07 0.18 0.55 -0.51 4.01 4.30 1o90A1 THR 338 H 0.08 -0.13 -0.09 -0.55 8.28 7.59 1o90A1 THR 338 HA 0.05 0.38 0.83 -0.75 4.39 4.89 1o90A1 THR 338 HB 0.05 0.12 0.15 -0.04 4.32 4.59 1o90A1 THR 338 HG23 0.13 -0.06 -0.25 -0.04 1.22 1.00 1o90A1 SER 339 H 0.02 -0.06 -0.04 -0.55 8.46 7.84 1o90A1 SER 339 HA 0.00 0.32 0.91 -0.75 4.49 4.97 1o90A1 SER 339 HB2 -0.03 0.07 0.15 -0.04 3.95 4.10 1o90A1 SER 339 HB3 -0.02 -0.02 0.13 -0.04 3.93 3.99 1o90A1 LYS 340 H -0.00 0.23 0.15 -0.55 8.42 8.24 1o90A1 LYS 340 HA 0.01 0.20 0.69 -0.75 4.32 4.46 1o90A1 LYS 340 HB2 0.02 0.02 0.09 -0.04 1.87 1.96 1o90A1 LYS 340 HB3 0.01 0.02 0.03 -0.04 1.79 1.82 1o90A1 LYS 340 HG2 0.02 0.03 -0.06 -0.04 1.46 1.40 1o90A1 LYS 340 HG3 0.02 0.03 -0.09 -0.04 1.46 1.37 1o90A1 LYS 340 HD2 0.03 0.04 -0.00 -0.04 1.69 1.71 1o90A1 LYS 340 HD3 0.02 -0.02 -0.01 -0.04 1.68 1.63 1o90A1 LYS 340 HE2 0.02 0.04 -0.02 -0.04 2.99 2.99 1o90A1 LYS 340 HE3 0.02 -0.01 -0.01 -0.04 2.99 2.95 1o90A1 LYS 341 H -0.02 0.04 0.05 -0.55 8.42 7.94 1o90A1 LYS 341 HA -0.02 0.16 0.41 -0.75 4.32 4.12 1o90A1 LYS 341 HB2 -0.08 0.01 0.09 -0.04 1.87 1.85 1o90A1 LYS 341 HB3 -0.08 -0.10 -0.16 -0.04 1.79 1.41 1o90A1 LYS 341 HG2 -0.03 0.06 0.03 -0.04 1.46 1.47 1o90A1 LYS 341 HG3 -0.05 0.05 0.01 -0.04 1.46 1.43 1o90A1 LYS 341 HD2 -0.29 0.02 -0.05 -0.04 1.69 1.34 1o90A1 LYS 341 HD3 -0.13 -0.10 -0.16 -0.04 1.68 1.24 1o90A1 LYS 341 HE2 0.01 0.07 -0.02 -0.04 2.99 3.01 1o90A1 LYS 341 HE3 -0.15 -0.03 -0.03 -0.04 2.99 2.75 1o90A1 THR 342 H -0.03 -0.04 -0.29 -0.55 8.28 7.37 1o90A1 THR 342 HA -0.02 -0.03 0.26 -0.75 4.39 3.84 1o90A1 THR 342 HB -0.01 0.15 -0.52 -0.04 4.32 3.90 1o90A1 THR 342 HG23 -0.02 0.06 -0.04 -0.04 1.22 1.17 1o90A1 GLU 343 H -0.04 0.14 0.11 -0.55 8.60 8.26 1o90A1 GLU 343 HA -0.08 -0.24 0.53 -0.75 4.29 3.75 1o90A1 GLU 343 HB2 -0.05 0.03 0.22 -0.04 2.09 2.26 1o90A1 GLU 343 HB3 -0.08 0.09 0.07 -0.04 1.99 2.03 1o90A1 GLU 343 HG2 -0.19 0.52 0.24 -0.04 2.34 2.87 1o90A1 GLU 343 HG3 -0.14 -0.20 0.15 -0.04 2.34 2.10 1o90A1 ARG 344 H -0.08 -0.28 0.35 -0.55 8.46 7.89 1o90A1 ARG 344 HA -0.06 -0.10 0.39 -0.75 4.34 3.81 1o90A1 ARG 344 HB2 -0.05 0.03 -0.03 -0.04 1.90 1.81 1o90A1 ARG 344 HB3 -0.04 0.13 0.40 -0.04 1.80 2.26 1o90A1 ARG 344 HG2 -0.04 0.05 0.08 -0.04 1.67 1.72 1o90A1 ARG 344 HG3 -0.04 0.03 0.11 -0.04 1.67 1.73 1o90A1 ARG 344 HD2 -0.06 -0.21 0.11 -0.04 3.22 3.01 1o90A1 ARG 344 HD3 -0.06 0.05 0.05 -0.04 3.22 3.22 1o90A1 GLU 345 H -0.06 -0.64 0.28 -0.55 8.60 7.63 1o90A1 GLU 345 HA -0.04 0.14 0.45 -0.75 4.29 4.09 1o90A1 GLU 345 HB2 -0.04 0.53 -0.07 -0.04 2.09 2.47 1o90A1 GLU 345 HB3 -0.05 -0.10 -0.04 -0.04 1.99 1.76 1o90A1 GLU 345 HG2 -0.03 -0.09 0.18 -0.04 2.34 2.36 1o90A1 GLU 345 HG3 -0.02 0.06 0.05 -0.04 2.34 2.39 1o90A1 LEU 346 H -0.08 0.14 0.18 -0.55 8.37 8.07 1o90A1 LEU 346 HA -0.13 0.22 0.32 -0.75 4.35 4.01 1o90A1 LEU 346 HB2 -0.09 -0.13 0.04 -0.04 1.64 1.42 1o90A1 LEU 346 HB3 -0.10 0.08 -0.05 -0.04 1.64 1.52 1o90A1 LEU 346 HG -0.09 -0.02 -0.16 -0.04 1.64 1.32 1o90A1 LEU 346 HD13 -0.08 0.03 -0.07 -0.04 0.93 0.77 1o90A1 LEU 346 HD23 -0.17 0.05 -0.03 -0.04 0.89 0.70 1o90A1 LEU 347 H -0.08 -0.22 0.07 -0.55 8.37 7.60 1o90A1 LEU 347 HA -0.08 0.15 0.47 -0.75 4.35 4.14 1o90A1 LEU 347 HB2 -0.10 -0.05 0.16 -0.04 1.64 1.61 1o90A1 LEU 347 HB3 -0.07 0.03 0.07 -0.04 1.64 1.63 1o90A1 LEU 347 HG -0.06 0.03 -0.14 -0.04 1.64 1.43 1o90A1 LEU 347 HD13 -0.10 -0.01 0.00 -0.04 0.93 0.78 1o90A1 LEU 347 HD23 -0.08 0.03 0.05 -0.04 0.89 0.85 1o90A1 GLU 348 H -0.06 0.08 -0.38 -0.55 8.60 7.69 1o90A1 GLU 348 HA -0.03 0.11 0.40 -0.75 4.29 4.02 1o90A1 GLU 348 HB2 -0.03 -0.02 -0.02 -0.04 2.09 1.97 1o90A1 GLU 348 HB3 -0.04 0.16 -0.03 -0.04 1.99 2.04 1o90A1 GLU 348 HG2 -0.02 0.05 -0.03 -0.04 2.34 2.30 1o90A1 GLU 348 HG3 -0.02 0.02 -0.08 -0.04 2.34 2.22 1o90A1 VAL 349 H -0.07 0.16 -0.39 -0.55 8.24 7.39 1o90A1 VAL 349 HA -0.06 0.03 0.34 -0.75 4.13 3.68 1o90A1 VAL 349 HB -0.12 0.15 0.16 -0.04 2.12 2.26 1o90A1 VAL 349 HG13 -0.20 -0.02 -0.11 -0.04 0.97 0.60 1o90A1 VAL 349 HG23 -0.19 0.11 0.04 -0.04 0.95 0.88 1o90A1 VAL 350 H -0.03 0.37 -0.25 -0.55 8.24 7.78 1o90A1 VAL 350 HA 0.22 0.06 0.42 -0.75 4.13 4.07 1o90A1 VAL 350 HB -0.02 0.10 0.12 -0.04 2.12 2.28 1o90A1 VAL 350 HG13 0.01 -0.01 -0.13 -0.04 0.97 0.80 1o90A1 VAL 350 HG23 -0.03 0.08 -0.00 -0.04 0.95 0.95 1o90A1 ASN 351 H -0.01 0.50 -0.13 -0.55 8.53 8.35 1o90A1 ASN 351 HA 0.03 0.12 0.55 -0.75 4.76 4.71 1o90A1 ASN 351 HB2 -0.02 -0.01 0.13 -0.04 2.88 2.94 1o90A1 ASN 351 HB3 -0.01 -0.01 0.10 -0.04 2.79 2.83 1o90A1 ASN 351 HD21 -0.03 -0.07 -0.00 -0.04 7.03 6.88 1o90A1 ASN 351 HD22 -0.00 0.07 0.06 -0.04 7.74 7.82 1o90A1 LYS 352 H -0.02 0.23 -0.56 -0.55 8.42 7.52 1o90A1 LYS 352 HA -0.02 0.16 0.78 -0.75 4.32 4.49 1o90A1 LYS 352 HB2 -0.03 0.02 0.07 -0.04 1.87 1.88 1o90A1 LYS 352 HB3 -0.03 -0.05 0.07 -0.04 1.79 1.74 1o90A1 LYS 352 HG2 -0.02 -0.01 -0.09 -0.04 1.46 1.31 1o90A1 LYS 352 HG3 -0.02 0.17 -0.03 -0.04 1.46 1.53 1o90A1 LYS 352 HD2 -0.01 -0.03 -0.08 -0.04 1.69 1.53 1o90A1 LYS 352 HD3 -0.01 -0.00 -0.03 -0.04 1.68 1.60 1o90A1 LYS 352 HE2 -0.01 -0.05 -0.05 -0.04 2.99 2.83 1o90A1 LYS 352 HE3 -0.01 -0.00 -0.04 -0.04 2.99 2.90 1o90A1 ASN 353 H -0.08 0.15 -0.20 -0.55 8.53 7.85 1o90A1 ASN 353 HA -0.24 0.17 0.92 -0.75 4.76 4.85 1o90A1 ASN 353 HB2 -0.49 0.06 0.06 -0.04 2.88 2.47 1o90A1 ASN 353 HB3 -0.63 -0.10 0.09 -0.04 2.79 2.10 1o90A1 ASN 353 HD21 -0.05 -0.12 -0.16 -0.04 7.03 6.67 1o90A1 ASN 353 HD22 -0.11 0.19 -1.27 -0.04 7.74 6.50 1o90A1 PHE 354 H 0.01 0.48 0.08 -0.55 8.34 8.36 1o90A1 PHE 354 HA -0.06 0.19 0.98 -0.75 4.62 4.98 1o90A1 PHE 354 HB2 -0.09 0.11 0.06 -0.04 3.15 3.19 1o90A1 PHE 354 HB3 -0.05 -0.09 -0.10 -0.04 3.06 2.78 1o90A1 PHE 354 HD2 -0.35 -0.01 -0.00 -0.04 7.28 6.87 1o90A1 PHE 354 HE2 -1.29 0.03 -0.09 -0.04 7.38 5.99 1o90A1 PHE 354 HZ -0.59 0.02 -0.10 -0.04 7.32 6.61 1o90A1 ASP 355 H 0.25 0.24 -0.03 -0.55 8.40 8.31 1o90A1 ASP 355 HA 0.10 0.17 0.78 -0.75 4.63 4.93 1o90A1 ASP 355 HB2 0.08 0.10 -0.08 -0.04 2.71 2.77 1o90A1 ASP 355 HB3 0.14 0.02 0.17 -0.04 2.70 2.99 1o90A1 LEU 356 H 0.12 0.24 -0.12 -0.55 8.37 8.06 1o90A1 LEU 356 HA 0.21 0.14 0.36 -0.75 4.35 4.31 1o90A1 LEU 356 HB2 0.04 0.01 0.04 -0.04 1.64 1.69 1o90A1 LEU 356 HB3 0.15 0.00 0.09 -0.04 1.64 1.84 1o90A1 LEU 356 HG 0.08 -0.01 -0.16 -0.04 1.64 1.51 1o90A1 LEU 356 HD13 -0.07 -0.00 -0.12 -0.04 0.93 0.70 1o90A1 LEU 356 HD23 0.09 0.01 -0.17 -0.04 0.89 0.79 1o90A1 ARG 357 H 0.14 0.20 -0.61 -0.55 8.46 7.63 1o90A1 ARG 357 HA 0.20 0.34 0.53 -0.75 4.34 4.65 1o90A1 ARG 357 HB2 0.10 -0.02 0.06 -0.04 1.90 2.00 1o90A1 ARG 357 HB3 0.09 -0.04 -0.02 -0.04 1.80 1.79 1o90A1 ARG 357 HG2 0.09 0.06 -0.34 -0.04 1.67 1.44 1o90A1 ARG 357 HG3 0.08 -0.04 -0.09 -0.04 1.67 1.58 1o90A1 ARG 357 HD2 0.06 -0.06 -0.08 -0.04 3.22 3.10 1o90A1 ARG 357 HD3 0.05 0.00 -0.05 -0.04 3.22 3.18 1o90A1 PRO 358 HA 0.01 0.05 0.33 -0.51 4.44 4.32 1o90A1 PRO 358 HB2 0.00 -0.12 0.06 -0.04 2.28 2.18 1o90A1 PRO 358 HB3 -0.07 0.09 0.03 -0.04 2.02 2.03 1o90A1 PRO 358 HG2 -0.08 -0.02 0.06 -0.04 2.03 1.95 1o90A1 PRO 358 HG3 -0.28 0.05 0.11 -0.04 2.03 1.87 1o90A1 PRO 358 HD2 0.09 -0.02 0.22 -0.04 3.68 3.93 1o90A1 PRO 358 HD3 0.25 0.38 0.34 -0.04 3.65 4.58 1o90A1 GLY 359 H 0.05 0.08 -0.14 -0.55 8.43 7.88 1o90A1 GLY 359 HA2 0.07 0.07 0.35 -0.51 4.01 3.99 1o90A1 GLY 359 HA3 0.06 0.08 0.26 -0.51 4.01 3.89 1o90A1 VAL 360 H 0.09 0.19 -0.18 -0.55 8.24 7.79 1o90A1 VAL 360 HA 0.08 0.03 0.44 -0.75 4.13 3.93 1o90A1 VAL 360 HB 0.13 0.21 0.16 -0.04 2.12 2.58 1o90A1 VAL 360 HG13 0.14 -0.03 0.03 -0.04 0.97 1.07 1o90A1 VAL 360 HG23 0.08 -0.00 0.06 -0.04 0.95 1.05 1o90A1 ILE 361 H 0.12 0.52 -0.22 -0.55 8.25 8.12 1o90A1 ILE 361 HA 0.17 0.03 0.36 -0.75 4.18 4.00 1o90A1 ILE 361 HB 0.09 0.17 0.07 -0.04 1.89 2.17 1o90A1 ILE 361 HG12 0.23 -0.05 -0.11 -0.04 1.49 1.53 1o90A1 ILE 361 HG13 0.17 0.24 -0.32 -0.04 1.21 1.26 1o90A1 ILE 361 HG23 0.10 -0.02 -0.23 -0.04 0.93 0.73 1o90A1 ILE 361 HD13 0.15 -0.00 -0.23 -0.04 0.88 0.75 1o90A1 VAL 362 H 0.07 0.49 -0.08 -0.55 8.24 8.17 1o90A1 VAL 362 HA 0.05 -0.01 0.31 -0.75 4.13 3.73 1o90A1 VAL 362 HB -0.05 -0.07 0.02 -0.04 2.12 1.97 1o90A1 VAL 362 HG13 0.18 0.08 0.03 -0.04 0.97 1.21 1o90A1 VAL 362 HG23 0.02 0.09 -0.07 -0.04 0.95 0.95 1o90A1 ARG 363 H 0.04 0.37 -0.33 -0.55 8.46 7.98 1o90A1 ARG 363 HA -0.01 0.02 0.45 -0.75 4.34 4.05 1o90A1 ARG 363 HB2 0.03 0.02 0.11 -0.04 1.90 2.02 1o90A1 ARG 363 HB3 0.05 0.07 0.19 -0.04 1.80 2.07 1o90A1 ARG 363 HG2 0.02 0.01 -0.06 -0.04 1.67 1.60 1o90A1 ARG 363 HG3 0.02 -0.03 0.02 -0.04 1.67 1.63 1o90A1 ARG 363 HD2 0.05 0.04 -0.06 -0.04 3.22 3.21 1o90A1 ARG 363 HD3 0.03 -0.02 -0.04 -0.04 3.22 3.16 1o90A1 ASP 364 H 0.06 0.71 0.09 -0.55 8.40 8.72 1o90A1 ASP 364 HA 0.05 0.04 0.51 -0.75 4.63 4.48 1o90A1 ASP 364 HB2 0.14 0.05 0.16 -0.04 2.71 3.02 1o90A1 ASP 364 HB3 0.18 -0.02 0.03 -0.04 2.70 2.85 1o90A1 LEU 365 H -0.04 0.64 -0.13 -0.55 8.37 8.30 1o90A1 LEU 365 HA -0.21 0.18 0.65 -0.75 4.35 4.21 1o90A1 LEU 365 HB2 0.03 0.03 -0.03 -0.04 1.64 1.63 1o90A1 LEU 365 HB3 0.11 -0.10 0.04 -0.04 1.64 1.65 1o90A1 LEU 365 HG -0.27 0.03 -0.04 -0.04 1.64 1.32 1o90A1 LEU 365 HD13 0.07 -0.04 -0.12 -0.04 0.93 0.79 1o90A1 LEU 365 HD23 -1.17 0.00 -0.24 -0.04 0.89 -0.55 1o90A1 ASP 366 H -0.03 0.27 -0.56 -0.55 8.40 7.54 1o90A1 ASP 366 HA -0.04 0.04 0.38 -0.75 4.63 4.25 1o90A1 ASP 366 HB2 -0.04 0.07 -0.25 -0.04 2.71 2.44 1o90A1 ASP 366 HB3 -0.04 0.06 0.19 -0.04 2.70 2.86 1o90A1 LEU 367 H -0.01 0.55 0.05 -0.55 8.37 8.42 1o90A1 LEU 367 HA 0.10 0.19 0.57 -0.75 4.35 4.46 1o90A1 LEU 367 HB2 0.05 -0.05 0.11 -0.04 1.64 1.72 1o90A1 LEU 367 HB3 0.29 -0.07 0.20 -0.04 1.64 2.01 1o90A1 LEU 367 HG 0.11 0.03 -0.17 -0.04 1.64 1.58 1o90A1 LEU 367 HD13 0.12 -0.03 -0.09 -0.04 0.93 0.89 1o90A1 LEU 367 HD23 0.35 0.03 -0.09 -0.04 0.89 1.14 1o90A1 LYS 368 H -0.13 0.14 -0.41 -0.55 8.42 7.47 1o90A1 LYS 368 HA -0.24 0.14 0.85 -0.75 4.32 4.32 1o90A1 LYS 368 HB2 -0.17 -0.02 0.03 -0.04 1.87 1.67 1o90A1 LYS 368 HB3 -0.12 0.01 0.19 -0.04 1.79 1.83 1o90A1 LYS 368 HG2 -1.07 0.14 0.09 -0.04 1.46 0.57 1o90A1 LYS 368 HG3 -0.69 -0.11 -0.11 -0.04 1.46 0.51 1o90A1 LYS 368 HD2 -0.14 -0.03 -0.03 -0.04 1.69 1.45 1o90A1 LYS 368 HD3 -0.10 0.01 -0.02 -0.04 1.68 1.53 1o90A1 LYS 368 HE2 -0.00 0.05 -0.02 -0.04 2.99 2.99 1o90A1 LYS 368 HE3 -0.19 -0.06 -0.06 -0.04 2.99 2.65 1o90A1 LYS 369 H -0.05 0.26 -0.13 -0.55 8.42 7.95 1o90A1 LYS 369 HA -0.02 0.15 0.52 -0.75 4.32 4.21 1o90A1 LYS 369 HB2 -0.05 0.08 0.15 -0.04 1.87 2.01 1o90A1 LYS 369 HB3 -0.08 -0.03 0.05 -0.04 1.79 1.69 1o90A1 LYS 369 HG2 -0.06 -0.01 -0.06 -0.04 1.46 1.29 1o90A1 LYS 369 HG3 -0.04 0.03 0.04 -0.04 1.46 1.45 1o90A1 LYS 369 HD2 -0.05 0.04 0.03 -0.04 1.69 1.67 1o90A1 LYS 369 HD3 -0.04 -0.02 0.00 -0.04 1.68 1.58 1o90A1 LYS 369 HE2 -0.03 0.03 -0.03 -0.04 2.99 2.92 1o90A1 LYS 369 HE3 -0.04 -0.07 -0.06 -0.04 2.99 2.78 1o90A1 PRO 370 HA 0.05 0.02 0.58 -0.51 4.44 4.58 1o90A1 PRO 370 HB2 0.03 -0.05 0.19 -0.04 2.28 2.41 1o90A1 PRO 370 HB3 0.06 0.10 0.16 -0.04 2.02 2.30 1o90A1 PRO 370 HG2 -0.01 0.02 0.11 -0.04 2.03 2.11 1o90A1 PRO 370 HG3 0.01 0.06 0.06 -0.04 2.03 2.11 1o90A1 PRO 370 HD2 -0.01 0.10 0.16 -0.04 3.68 3.88 1o90A1 PRO 370 HD3 0.02 0.23 0.08 -0.04 3.65 3.94 1o90A1 ILE 371 H -0.34 0.43 0.13 -0.55 8.25 7.92 1o90A1 ILE 371 HA -0.03 0.21 0.87 -0.75 4.18 4.47 1o90A1 ILE 371 HB 0.06 0.01 0.08 -0.04 1.89 1.99 1o90A1 ILE 371 HG12 -0.31 -0.06 -0.33 -0.04 1.49 0.75 1o90A1 ILE 371 HG13 -0.07 0.04 -0.05 -0.04 1.21 1.09 1o90A1 ILE 371 HG23 -0.07 0.02 -0.19 -0.04 0.93 0.64 1o90A1 ILE 371 HD13 -0.30 0.09 0.01 -0.04 0.88 0.64 1o90A1 TYR 372 H -0.17 0.11 0.06 -0.55 8.29 7.74 1o90A1 TYR 372 HA 0.02 0.13 0.32 -0.75 4.56 4.28 1o90A1 TYR 372 HB2 0.06 0.03 0.08 -0.04 3.06 3.19 1o90A1 TYR 372 HB3 0.06 -0.04 0.05 -0.04 2.98 3.01 1o90A1 TYR 372 HD2 0.10 -0.03 -0.02 -0.04 7.15 7.16 1o90A1 TYR 372 HE2 0.20 0.05 -0.02 -0.04 6.85 7.05 1o90A1 GLN 373 H 0.08 0.15 -0.34 -0.55 8.47 7.82 1o90A1 GLN 373 HA 0.06 0.06 0.33 -0.75 4.36 4.05 1o90A1 GLN 373 HB2 0.03 -0.01 -0.13 -0.04 2.15 1.99 1o90A1 GLN 373 HB3 -0.01 0.04 -0.04 -0.04 2.02 1.97 1o90A1 GLN 373 HG2 -0.05 0.04 -0.25 -0.04 2.40 2.10 1o90A1 GLN 373 HG3 -0.01 0.03 -0.00 -0.04 2.39 2.37 1o90A1 GLN 373 HE21 -0.25 0.01 -0.08 -0.04 6.97 6.61 1o90A1 GLN 373 HE22 -0.18 0.02 -0.10 -0.04 7.69 7.39 1o90A1 LYS 374 H 0.05 0.20 -0.18 -0.55 8.42 7.94 1o90A1 LYS 374 HA 0.08 0.08 0.40 -0.75 4.32 4.12 1o90A1 LYS 374 HB2 0.13 0.03 0.08 -0.04 1.87 2.07 1o90A1 LYS 374 HB3 0.05 -0.04 0.05 -0.04 1.79 1.81 1o90A1 LYS 374 HG2 0.11 0.05 0.09 -0.04 1.46 1.67 1o90A1 LYS 374 HG3 0.46 0.06 -0.13 -0.04 1.46 1.81 1o90A1 LYS 374 HD2 -0.02 -0.01 -0.04 -0.04 1.69 1.57 1o90A1 LYS 374 HD3 0.01 -0.04 0.01 -0.04 1.68 1.62 1o90A1 LYS 374 HE2 0.05 -0.08 0.05 -0.04 2.99 2.98 1o90A1 LYS 374 HE3 0.25 0.03 -0.06 -0.04 2.99 3.17 1o90A1 THR 375 H -0.00 0.12 -0.78 -0.55 8.28 7.07 1o90A1 THR 375 HA -0.26 0.23 0.45 -0.75 4.39 4.05 1o90A1 THR 375 HB -0.21 0.01 0.00 -0.04 4.32 4.08 1o90A1 THR 375 HG23 -0.28 0.04 -0.13 -0.04 1.22 0.81 1o90A1 ALA 376 H -0.03 0.29 -0.32 -0.55 8.40 7.80 1o90A1 ALA 376 HA 0.04 -0.04 0.36 -0.75 4.34 3.94 1o90A1 ALA 376 HB3 0.04 -0.00 -0.03 -0.04 1.41 1.38 1o90A1 CYS 377 H -0.04 0.45 -0.69 -0.55 8.50 7.67 1o90A1 CYS 377 HA -0.11 -0.03 0.58 -0.75 4.58 4.27 1o90A1 CYS 377 HB2 -0.13 0.06 -0.29 -0.04 2.97 2.57 1o90A1 CYS 377 HB3 -0.20 0.06 -0.14 -0.04 2.97 2.66 1o90A1 TYR 378 H -0.25 0.11 0.14 -0.55 8.29 7.73 1o90A1 TYR 378 HA -0.11 -0.04 0.36 -0.75 4.56 4.01 1o90A1 TYR 378 HB2 -0.05 0.37 0.16 -0.04 3.06 3.50 1o90A1 TYR 378 HB3 -0.08 -0.05 0.19 -0.04 2.98 3.00 1o90A1 TYR 378 HD2 0.05 0.09 -0.08 -0.04 7.15 7.16 1o90A1 TYR 378 HE2 0.04 -0.02 -0.16 -0.04 6.85 6.67 1o90A1 GLY 379 H -0.08 -0.11 -0.32 -0.55 8.43 7.37 1o90A1 GLY 379 HA2 0.07 -0.07 0.44 -0.51 4.01 3.94 1o90A1 GLY 379 HA3 -0.29 0.16 0.46 -0.51 4.01 3.83 1o90A1 HIS 380 H 0.10 0.41 0.29 -0.55 8.41 8.66 1o90A1 HIS 380 HA -0.13 0.15 0.61 -0.75 4.63 4.51 1o90A1 HIS 380 HB2 -0.74 0.20 0.25 -0.04 3.26 2.92 1o90A1 HIS 380 HB3 -0.65 -0.07 0.05 -0.04 3.20 2.49 1o90A1 HIS 380 HD2 0.01 -0.13 0.12 -0.04 6.97 6.92 1o90A1 HIS 380 HE1 0.18 -0.13 -0.09 -0.04 7.75 7.66 1o90A1 PHE 381 H -0.01 0.14 0.04 -0.55 8.34 7.96 1o90A1 PHE 381 HA 0.37 0.19 0.94 -0.75 4.62 5.38 1o90A1 PHE 381 HB2 0.10 0.05 0.04 -0.04 3.15 3.30 1o90A1 PHE 381 HB3 0.29 0.06 0.02 -0.04 3.06 3.39 1o90A1 PHE 381 HD2 -0.21 0.05 -0.09 -0.04 7.28 6.99 1o90A1 PHE 381 HE2 -0.12 -0.07 -0.03 -0.04 7.38 7.12 1o90A1 PHE 381 HZ 0.13 -0.03 -0.07 -0.04 7.32 7.30 1o90A1 GLY 382 H 0.38 0.23 -0.02 -0.55 8.43 8.47 1o90A1 GLY 382 HA2 0.21 0.09 0.30 -0.51 4.01 4.11 1o90A1 GLY 382 HA3 0.23 0.17 0.83 -0.51 4.01 4.73 1o90A1 ARG 383 H 0.19 0.24 -0.29 -0.55 8.46 8.05 1o90A1 ARG 383 HA -0.04 0.02 0.50 -0.75 4.34 4.06 1o90A1 ARG 383 HB2 -0.00 0.10 0.04 -0.04 1.90 2.00 1o90A1 ARG 383 HB3 -0.38 -0.13 -0.04 -0.04 1.80 1.21 1o90A1 ARG 383 HG2 -0.06 -0.05 0.00 -0.04 1.67 1.51 1o90A1 ARG 383 HG3 0.05 0.05 -0.03 -0.04 1.67 1.70 1o90A1 ARG 383 HD2 -0.15 -0.08 -0.03 -0.04 3.22 2.92 1o90A1 ARG 383 HD3 -0.01 -0.02 -0.01 -0.04 3.22 3.13 1o90A1 SER 384 H -0.10 0.13 0.20 -0.55 8.46 8.15 1o90A1 SER 384 HA -0.11 0.19 0.31 -0.75 4.49 4.13 1o90A1 SER 384 HB2 -0.08 0.04 0.05 -0.04 3.95 3.93 1o90A1 SER 384 HB3 -0.04 0.08 0.13 -0.04 3.93 4.05 1o90A1 GLU 385 H -0.41 0.01 -0.40 -0.55 8.60 7.25 1o90A1 GLU 385 HA -0.29 0.11 0.35 -0.75 4.29 3.71 1o90A1 GLU 385 HB2 -0.36 0.00 0.07 -0.04 2.09 1.76 1o90A1 GLU 385 HB3 -0.33 -0.04 0.02 -0.04 1.99 1.60 1o90A1 GLU 385 HG2 -0.89 -0.06 -0.13 -0.04 2.34 1.23 1o90A1 GLU 385 HG3 -1.39 0.05 -0.32 -0.04 2.34 0.64 1o90A1 PHE 386 H -0.56 0.29 -0.51 -0.55 8.34 7.02 1o90A1 PHE 386 HA -0.72 0.19 0.80 -0.75 4.62 4.13 1o90A1 PHE 386 HB2 -1.25 0.06 0.04 -0.04 3.15 1.95 1o90A1 PHE 386 HB3 -2.97 -0.07 0.01 -0.04 3.06 -0.02 1o90A1 PHE 386 HD2 -0.35 0.06 -0.05 -0.04 7.28 6.90 1o90A1 PHE 386 HE2 -0.10 0.05 -0.09 -0.04 7.38 7.20 1o90A1 PHE 386 HZ -0.08 0.16 -0.32 -0.04 7.32 7.04 1o90A1 PRO 387 HA -0.24 0.10 0.36 -0.51 4.44 4.15 1o90A1 PRO 387 HB2 -0.03 -0.09 0.15 -0.04 2.28 2.27 1o90A1 PRO 387 HB3 -0.17 0.04 0.10 -0.04 2.02 1.95 1o90A1 PRO 387 HG2 -0.09 0.23 0.13 -0.04 2.03 2.26 1o90A1 PRO 387 HG3 -0.16 0.01 0.08 -0.04 2.03 1.92 1o90A1 PRO 387 HD2 -0.77 0.02 0.19 -0.04 3.68 3.08 1o90A1 PRO 387 HD3 -0.32 0.21 0.26 -0.04 3.65 3.76 1o90A1 TRP 388 H -0.33 0.09 -0.18 -0.55 7.97 7.00 1o90A1 TRP 388 HA -0.65 0.08 0.35 -0.75 4.62 3.65 1o90A1 TRP 388 HB2 0.06 0.08 0.07 -0.04 3.23 3.39 1o90A1 TRP 388 HB3 -0.13 -0.07 -0.03 -0.04 3.23 2.96 1o90A1 TRP 388 HD1 0.19 -0.03 -0.17 -0.04 7.22 7.17 1o90A1 TRP 388 HE1 -0.12 0.48 0.10 -0.04 10.20 10.61 1o90A1 TRP 388 HE3 -0.20 0.01 0.01 -0.04 7.59 7.36 1o90A1 TRP 388 HZ2 -1.24 0.06 0.02 -0.04 7.44 6.24 1o90A1 TRP 388 HZ3 -0.19 0.05 -0.01 -0.04 7.13 6.93 1o90A1 TRP 388 HH2 -0.59 -0.05 -0.05 -0.04 7.19 6.46 1o90A1 GLU 389 H -0.41 0.54 -0.55 -0.55 8.60 7.64 1o90A1 GLU 389 HA 0.18 0.08 0.65 -0.75 4.29 4.46 1o90A1 GLU 389 HB2 -0.18 0.18 0.01 -0.04 2.09 2.05 1o90A1 GLU 389 HB3 0.01 -0.06 -0.08 -0.04 1.99 1.82 1o90A1 GLU 389 HG2 -0.21 -0.11 -0.14 -0.04 2.34 1.84 1o90A1 GLU 389 HG3 0.07 0.28 -0.16 -0.04 2.34 2.50 1o90A1 VAL 390 H 0.01 0.45 -0.25 -0.55 8.24 7.90 1o90A1 VAL 390 HA 0.08 0.10 0.69 -0.75 4.13 4.24 1o90A1 VAL 390 HB 0.08 0.06 0.16 -0.04 2.12 2.38 1o90A1 VAL 390 HG13 0.08 -0.00 -0.09 -0.04 0.97 0.91 1o90A1 VAL 390 HG23 -0.07 0.00 -0.06 -0.04 0.95 0.77 1o90A1 PRO 391 HA 0.24 -0.04 0.29 -0.51 4.44 4.42 1o90A1 PRO 391 HB2 0.09 0.00 -0.02 -0.04 2.28 2.31 1o90A1 PRO 391 HB3 0.10 0.02 -0.03 -0.04 2.02 2.07 1o90A1 PRO 391 HG2 0.08 0.00 0.04 -0.04 2.03 2.11 1o90A1 PRO 391 HG3 0.12 0.06 -0.07 -0.04 2.03 2.11 1o90A1 PRO 391 HD2 0.09 0.01 0.15 -0.04 3.68 3.90 1o90A1 PRO 391 HD3 0.10 0.38 0.35 -0.04 3.65 4.44 1o90A1 LYS 392 H 0.03 0.02 0.11 -0.55 8.42 8.03 1o90A1 LYS 392 HA 0.15 0.13 0.62 -0.75 4.32 4.47 1o90A1 LYS 392 HB2 -0.36 0.07 0.06 -0.04 1.87 1.60 1o90A1 LYS 392 HB3 -0.33 -0.07 -0.03 -0.04 1.79 1.32 1o90A1 LYS 392 HG2 -0.27 -0.20 0.03 -0.04 1.46 0.98 1o90A1 LYS 392 HG3 -0.00 0.04 0.11 -0.04 1.46 1.57 1o90A1 LYS 392 HD2 -0.61 -0.00 0.01 -0.04 1.69 1.04 1o90A1 LYS 392 HD3 -1.32 0.01 -0.01 -0.04 1.68 0.32 1o90A1 LYS 392 HE2 -0.25 -0.08 0.09 -0.04 2.99 2.71 1o90A1 LYS 392 HE3 0.00 -0.02 0.05 -0.04 2.99 2.98 1o90A1 LYS 393 H -0.01 0.09 0.09 -0.55 8.42 8.03 1o90A1 LYS 393 HA 0.01 0.14 0.28 -0.75 4.32 3.99 1o90A1 LYS 393 HB2 -0.04 -0.13 0.04 -0.04 1.87 1.69 1o90A1 LYS 393 HB3 -0.01 0.05 -0.06 -0.04 1.79 1.73 1o90A1 LYS 393 HG2 -0.00 0.00 0.01 -0.04 1.46 1.43 1o90A1 LYS 393 HG3 0.02 0.07 0.04 -0.04 1.46 1.55 1o90A1 LYS 393 HD2 0.00 -0.07 0.14 -0.04 1.69 1.73 1o90A1 LYS 393 HD3 -0.02 -0.03 0.05 -0.04 1.68 1.64 1o90A1 LYS 393 HE2 0.04 0.06 0.03 -0.04 2.99 3.08 1o90A1 LYS 393 HE3 0.04 0.00 0.03 -0.04 2.99 3.02 1o90A1 LEU 394 H -0.13 -0.00 -0.12 -0.55 8.37 7.57 1o90A1 LEU 394 HA -0.10 -0.08 0.31 -0.75 4.35 3.72 1o90A1 LEU 394 HB2 0.15 0.39 0.31 -0.04 1.64 2.45 1o90A1 LEU 394 HB3 0.08 -0.14 0.03 -0.04 1.64 1.56 1o90A1 LEU 394 HG 0.01 0.30 -0.40 -0.04 1.64 1.50 1o90A1 LEU 394 HD13 0.01 -0.03 -0.24 -0.04 0.93 0.64 1o90A1 LEU 394 HD23 -0.21 -0.05 -0.15 -0.04 0.89 0.45 1o90A1 VAL 395 H -0.02 0.11 0.05 -0.55 8.24 7.84 1o90A1 VAL 395 HA 0.02 0.18 0.42 -0.75 4.13 4.00 1o90A1 VAL 395 HB 0.00 0.00 0.01 -0.04 2.12 2.09 1o90A1 VAL 395 HG13 -0.00 0.02 0.06 -0.04 0.97 1.00 1o90A1 VAL 395 HG23 -0.03 -0.01 0.00 -0.04 0.95 0.87 1o90A1 PHE 396 H 0.24 -0.02 -0.49 -0.55 8.34 7.52 1o90A1 PHE 396 HA -0.04 -0.01 0.09 -0.75 4.62 3.91 1o90A1 PHE 396 HB2 -0.03 0.35 0.05 -0.04 3.15 3.48 1o90A1 PHE 396 HB3 -0.02 -0.06 0.07 -0.04 3.06 3.01 1o90A1 PHE 396 HD2 -0.03 -0.04 -0.21 -0.04 7.28 6.96 1o90A1 PHE 396 HE2 -0.02 0.04 0.02 -0.04 7.38 7.38 1o90A1 PHE 396 HZ -0.01 0.33 0.07 -0.04 7.32 7.67