============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. PHE 18 1.000 -43.830 16.721 44.029 -99.200 -91.000 TYR 35 0.840 -31.502 23.387 48.357 -99.200 -91.000 PHE 36 1.000 -39.402 17.111 51.943 -99.200 -91.000 TRP 40 1.040 -39.919 13.784 48.571 -99.200 -91.000 TRP6 40 1.020 -40.104 11.728 49.722 -99.200 -91.000 PHE 46 1.000 -37.252 16.585 38.055 -99.200 -91.000 HIS 57 0.900 -41.491 10.600 54.293 -99.200 -91.000 PHE 60 1.000 -41.931 5.615 57.508 -99.200 -91.000 TRP 72 1.040 -39.033 4.150 70.618 -99.200 -91.000 TRP6 72 1.020 -37.534 2.671 69.552 -99.200 -91.000 TYR 81 0.840 -24.627 -7.061 73.233 -99.200 -91.000 TYR 88 0.840 -19.607 16.447 60.904 -99.200 -91.000 TRP 96 1.040 -24.467 4.497 59.507 -99.200 -91.000 TRP6 96 1.020 -25.341 4.890 61.669 -99.200 -91.000 TYR 97 0.840 -16.807 5.129 59.931 -99.200 -91.000 PHE 110 1.000 -33.453 -16.821 67.287 -99.200 -91.000 HIS 133 0.900 -28.522 20.213 64.264 -99.200 -91.000 TYR 149 0.840 -22.806 -2.267 54.274 -99.200 -91.000 HIS 158 0.900 -22.567 -11.693 58.991 -99.200 -91.000 TRP 160 1.040 -31.509 -17.426 60.321 -99.200 -91.000 TRP6 160 1.020 -32.363 -15.896 61.906 -99.200 -91.000 TYR 167 0.840 -29.277 -4.673 55.510 -99.200 -91.000 PHE 170 1.000 -32.000 0.360 56.936 -99.200 -91.000 PHE 173 1.000 -31.537 5.197 52.814 -99.200 -91.000 TYR 177 0.840 -35.399 8.652 56.100 -99.200 -91.000 PHE 185 1.000 -16.068 6.008 49.477 -99.200 -91.000 PHE 193 1.000 -19.999 -6.701 48.083 -99.200 -91.000 TYR 197 0.840 -24.914 -5.323 45.281 -99.200 -91.000 PHE 203 1.000 -35.151 -6.863 49.725 -99.200 -91.000 TRP 218 1.040 -9.446 -1.023 53.238 -99.200 -91.000 TRP6 218 1.020 -10.033 0.073 55.251 -99.200 -91.000 HIS 225 0.900 -13.738 10.134 47.739 -99.200 -91.000 TYR 235 0.840 -13.342 1.392 59.924 -99.200 -91.000 TYR 253 0.840 -15.976 -0.865 66.085 -99.200 -91.000 TYR 261 0.840 -29.055 -8.506 76.985 -99.200 -91.000 TYR 262 0.840 -30.428 -15.777 72.323 -99.200 -91.000 TYR 271 0.840 -40.648 -24.200 57.281 -99.200 -91.000 HIS 273 0.900 -40.734 -26.635 47.309 -99.200 -91.000 HIS 283 0.900 -39.041 -35.730 49.057 -99.200 -91.000 TYR 287 0.840 -33.222 -26.814 44.957 -99.200 -91.000 PHE 291 1.000 -24.535 -19.124 36.273 -99.200 -91.000 TRP 298 1.040 -30.285 -26.515 55.102 -99.200 -91.000 TRP6 298 1.020 -28.053 -26.466 54.326 -99.200 -91.000 PHE 300 1.000 -34.191 -29.744 58.106 -99.200 -91.000 PHE 308 1.000 -30.522 -31.090 55.458 -99.200 -91.000 PHE 311 1.000 -26.015 -37.778 50.804 -99.200 -91.000 TYR 332 0.840 -29.289 -31.800 61.511 -99.200 -91.000 HIS 335 0.900 -38.645 -33.441 67.413 -99.200 -91.000 TYR 351 0.840 -23.684 -29.164 45.122 -99.200 -91.000 PHE 355 1.000 -35.483 -32.462 54.055 -99.200 -91.000 TYR 359 0.840 -34.648 -41.918 61.730 -99.200 -91.000 PHE 361 1.000 -40.157 -52.289 60.413 -99.200 -91.000 HIS 363 0.900 -45.065 -44.108 64.681 -99.200 -91.000 PHE 369 1.000 -38.440 -29.508 50.919 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1o6uE1 SER 2 HA 0.00 -0.02 0.16 -0.75 4.49 3.88 1o6uE1 SER 2 HB2 0.01 0.04 -0.01 -0.04 3.95 3.95 1o6uE1 SER 2 HB3 0.00 -0.00 0.04 -0.04 3.93 3.92 1o6uE1 GLY 3 H -0.04 0.29 0.21 -0.55 8.43 8.36 1o6uE1 GLY 3 HA2 0.00 -0.17 0.33 -0.51 4.01 3.66 1o6uE1 GLY 3 HA3 0.23 0.06 0.46 -0.51 4.01 4.25 1o6uE1 ARG 4 H 0.03 0.24 -0.22 -0.55 8.46 7.95 1o6uE1 ARG 4 HA 0.04 0.21 0.77 -0.75 4.34 4.60 1o6uE1 ARG 4 HB2 0.03 -0.03 -0.15 -0.04 1.90 1.71 1o6uE1 ARG 4 HB3 0.04 0.04 -0.06 -0.04 1.80 1.78 1o6uE1 ARG 4 HG2 0.03 0.06 -0.14 -0.04 1.67 1.58 1o6uE1 ARG 4 HG3 0.04 0.11 -0.47 -0.04 1.67 1.31 1o6uE1 ARG 4 HD2 0.02 -0.04 -0.11 -0.04 3.22 3.05 1o6uE1 ARG 4 HD3 0.03 -0.00 -0.09 -0.04 3.22 3.12 1o6uE1 VAL 5 H -0.04 0.19 0.03 -0.55 8.24 7.88 1o6uE1 VAL 5 HA -0.08 -0.05 0.32 -0.75 4.13 3.57 1o6uE1 VAL 5 HB -0.14 0.08 0.08 -0.04 2.12 2.09 1o6uE1 VAL 5 HG13 -0.16 0.00 -0.11 -0.04 0.97 0.66 1o6uE1 VAL 5 HG23 -0.68 0.00 -0.04 -0.04 0.95 0.18 1o6uE1 GLY 6 H -0.02 0.05 0.16 -0.55 8.43 8.07 1o6uE1 GLY 6 HA2 0.00 -0.03 0.35 -0.51 4.01 3.82 1o6uE1 GLY 6 HA3 0.02 0.22 0.68 -0.51 4.01 4.41 1o6uE1 ASP 7 H -0.00 0.60 -0.22 -0.55 8.40 8.23 1o6uE1 ASP 7 HA -0.01 0.09 0.58 -0.75 4.63 4.54 1o6uE1 ASP 7 HB2 0.01 0.08 -0.30 -0.04 2.71 2.46 1o6uE1 ASP 7 HB3 0.00 -0.05 0.04 -0.04 2.70 2.65 1o6uE1 LEU 8 H -0.02 0.13 0.03 -0.55 8.37 7.96 1o6uE1 LEU 8 HA -0.06 0.10 0.94 -0.75 4.35 4.58 1o6uE1 LEU 8 HB2 -0.02 -0.02 0.02 -0.04 1.64 1.58 1o6uE1 LEU 8 HB3 -0.04 -0.01 -0.10 -0.04 1.64 1.45 1o6uE1 LEU 8 HG -0.00 -0.00 -0.30 -0.04 1.64 1.30 1o6uE1 LEU 8 HD13 0.02 0.00 -0.17 -0.04 0.93 0.74 1o6uE1 LEU 8 HD23 0.07 0.02 -0.38 -0.04 0.89 0.56 1o6uE1 SER 9 H -0.14 0.10 0.17 -0.55 8.46 8.04 1o6uE1 SER 9 HA -0.06 0.22 0.54 -0.75 4.49 4.43 1o6uE1 SER 9 HB2 -0.08 0.06 0.17 -0.04 3.95 4.05 1o6uE1 SER 9 HB3 -0.11 0.16 0.13 -0.04 3.93 4.07 1o6uE1 PRO 10 HA -0.03 0.12 0.46 -0.51 4.44 4.49 1o6uE1 PRO 10 HB2 -0.02 0.05 0.03 -0.04 2.28 2.29 1o6uE1 PRO 10 HB3 -0.02 0.08 0.13 -0.04 2.02 2.17 1o6uE1 PRO 10 HG2 -0.04 -0.04 0.14 -0.04 2.03 2.04 1o6uE1 PRO 10 HG3 -0.03 0.10 0.10 -0.04 2.03 2.17 1o6uE1 PRO 10 HD2 -0.05 0.10 0.26 -0.04 3.68 3.95 1o6uE1 PRO 10 HD3 -0.04 0.21 0.20 -0.04 3.65 3.99 1o6uE1 ARG 11 H -0.07 0.16 -0.14 -0.55 8.46 7.86 1o6uE1 ARG 11 HA -0.04 0.10 0.45 -0.75 4.34 4.10 1o6uE1 ARG 11 HB2 -0.05 0.03 0.09 -0.04 1.90 1.92 1o6uE1 ARG 11 HB3 -0.11 0.01 0.05 -0.04 1.80 1.71 1o6uE1 ARG 11 HG2 -0.08 0.04 -0.16 -0.04 1.67 1.44 1o6uE1 ARG 11 HG3 -0.03 -0.02 0.07 -0.04 1.67 1.65 1o6uE1 ARG 11 HD2 -0.06 0.03 -0.01 -0.04 3.22 3.13 1o6uE1 ARG 11 HD3 -0.03 0.05 -0.00 -0.04 3.22 3.19 1o6uE1 GLN 12 H -0.17 0.07 -0.30 -0.55 8.47 7.52 1o6uE1 GLN 12 HA -0.27 0.13 0.49 -0.75 4.36 3.95 1o6uE1 GLN 12 HB2 -0.25 -0.02 0.09 -0.04 2.15 1.93 1o6uE1 GLN 12 HB3 -0.59 0.09 0.04 -0.04 2.02 1.52 1o6uE1 GLN 12 HG2 -1.31 0.12 -0.01 -0.04 2.40 1.17 1o6uE1 GLN 12 HG3 -0.42 -0.12 0.04 -0.04 2.39 1.85 1o6uE1 GLN 12 HE21 -0.23 0.12 -0.06 -0.04 6.97 6.76 1o6uE1 GLN 12 HE22 -0.63 0.06 -0.05 -0.04 7.69 7.02 1o6uE1 LYS 13 H -0.05 0.44 -0.29 -0.55 8.42 7.96 1o6uE1 LYS 13 HA 0.04 0.05 0.41 -0.75 4.32 4.06 1o6uE1 LYS 13 HB2 -0.01 0.15 0.13 -0.04 1.87 2.09 1o6uE1 LYS 13 HB3 0.01 -0.03 -0.02 -0.04 1.79 1.71 1o6uE1 LYS 13 HG2 -0.00 -0.05 -0.04 -0.04 1.46 1.33 1o6uE1 LYS 13 HG3 -0.02 0.17 -0.15 -0.04 1.46 1.41 1o6uE1 LYS 13 HD2 -0.01 -0.02 -0.05 -0.04 1.69 1.56 1o6uE1 LYS 13 HD3 -0.00 -0.02 -0.03 -0.04 1.68 1.58 1o6uE1 LYS 13 HE2 -0.01 -0.06 -0.04 -0.04 2.99 2.84 1o6uE1 LYS 13 HE3 -0.02 0.18 -0.11 -0.04 2.99 3.00 1o6uE1 GLU 14 H 0.00 0.39 -0.21 -0.55 8.60 8.23 1o6uE1 GLU 14 HA 0.03 0.02 0.42 -0.75 4.29 4.01 1o6uE1 GLU 14 HB2 0.01 0.14 0.20 -0.04 2.09 2.40 1o6uE1 GLU 14 HB3 0.02 -0.04 0.01 -0.04 1.99 1.95 1o6uE1 GLU 14 HG2 0.01 -0.04 0.04 -0.04 2.34 2.31 1o6uE1 GLU 14 HG3 -0.00 0.24 0.11 -0.04 2.34 2.64 1o6uE1 ALA 15 H 0.05 0.56 -0.07 -0.55 8.40 8.39 1o6uE1 ALA 15 HA 0.10 -0.02 0.38 -0.75 4.34 4.05 1o6uE1 ALA 15 HB3 0.21 0.03 0.12 -0.04 1.41 1.73 1o6uE1 LEU 16 H 0.15 0.50 -0.38 -0.55 8.37 8.11 1o6uE1 LEU 16 HA 0.21 0.04 0.36 -0.75 4.35 4.20 1o6uE1 LEU 16 HB2 0.18 0.04 0.07 -0.04 1.64 1.89 1o6uE1 LEU 16 HB3 0.11 0.11 0.17 -0.04 1.64 1.98 1o6uE1 LEU 16 HG 0.09 -0.01 -0.31 -0.04 1.64 1.38 1o6uE1 LEU 16 HD13 0.15 -0.01 -0.03 -0.04 0.93 1.00 1o6uE1 LEU 16 HD23 0.06 -0.02 -0.05 -0.04 0.89 0.84 1o6uE1 ALA 17 H 0.08 0.53 -0.06 -0.55 8.40 8.40 1o6uE1 ALA 17 HA 0.06 0.02 0.43 -0.75 4.34 4.09 1o6uE1 ALA 17 HB3 0.04 0.01 0.11 -0.04 1.41 1.53 1o6uE1 LYS 18 H 0.08 0.63 -0.10 -0.55 8.42 8.48 1o6uE1 LYS 18 HA 0.05 -0.00 0.45 -0.75 4.32 4.06 1o6uE1 LYS 18 HB2 0.05 -0.00 0.08 -0.04 1.87 1.96 1o6uE1 LYS 18 HB3 0.09 0.09 0.12 -0.04 1.79 2.06 1o6uE1 LYS 18 HG2 0.05 -0.03 -0.02 -0.04 1.46 1.42 1o6uE1 LYS 18 HG3 0.07 0.00 -0.17 -0.04 1.46 1.32 1o6uE1 LYS 18 HD2 0.03 -0.02 0.08 -0.04 1.69 1.74 1o6uE1 LYS 18 HD3 0.03 -0.01 0.01 -0.04 1.68 1.67 1o6uE1 LYS 18 HE2 0.03 -0.01 -0.01 -0.04 2.99 2.95 1o6uE1 LYS 18 HE3 0.03 0.00 -0.02 -0.04 2.99 2.97 1o6uE1 PHE 19 H 0.23 0.77 -0.07 -0.55 8.34 8.72 1o6uE1 PHE 19 HA 0.00 -0.03 0.38 -0.75 4.62 4.21 1o6uE1 PHE 19 HB2 0.02 0.01 0.08 -0.04 3.15 3.22 1o6uE1 PHE 19 HB3 0.02 0.09 0.14 -0.04 3.06 3.27 1o6uE1 PHE 19 HD2 -0.01 -0.04 -0.06 -0.04 7.28 7.14 1o6uE1 PHE 19 HE2 -0.02 0.03 -0.17 -0.04 7.38 7.18 1o6uE1 PHE 19 HZ -0.15 0.16 -0.13 -0.04 7.32 7.16 1o6uE1 ARG 20 H 0.08 0.52 -0.26 -0.55 8.46 8.25 1o6uE1 ARG 20 HA -0.24 0.04 0.34 -0.75 4.34 3.72 1o6uE1 ARG 20 HB2 0.02 0.03 0.09 -0.04 1.90 1.99 1o6uE1 ARG 20 HB3 0.01 0.11 0.12 -0.04 1.80 2.00 1o6uE1 ARG 20 HG2 -0.04 -0.04 -0.18 -0.04 1.67 1.38 1o6uE1 ARG 20 HG3 -0.04 0.03 0.02 -0.04 1.67 1.64 1o6uE1 ARG 20 HD2 0.01 -0.02 -0.02 -0.04 3.22 3.16 1o6uE1 ARG 20 HD3 0.00 -0.03 -0.03 -0.04 3.22 3.12 1o6uE1 GLU 21 H -0.01 0.38 -0.23 -0.55 8.60 8.20 1o6uE1 GLU 21 HA -0.04 0.01 0.51 -0.75 4.29 4.02 1o6uE1 GLU 21 HB2 -0.00 0.12 0.20 -0.04 2.09 2.37 1o6uE1 GLU 21 HB3 -0.01 -0.07 0.04 -0.04 1.99 1.90 1o6uE1 GLU 21 HG2 -0.01 -0.05 0.05 -0.04 2.34 2.29 1o6uE1 GLU 21 HG3 0.01 0.29 0.11 -0.04 2.34 2.71 1o6uE1 ASN 22 H -0.04 0.61 -0.04 -0.55 8.53 8.51 1o6uE1 ASN 22 HA -0.04 -0.03 0.39 -0.75 4.76 4.34 1o6uE1 ASN 22 HB2 -0.01 0.17 0.14 -0.04 2.88 3.13 1o6uE1 ASN 22 HB3 -0.00 -0.05 0.03 -0.04 2.79 2.73 1o6uE1 ASN 22 HD21 0.06 -0.10 -0.08 -0.04 7.03 6.87 1o6uE1 ASN 22 HD22 0.12 0.02 -0.06 -0.04 7.74 7.77 1o6uE1 VAL 23 H -0.23 0.38 -0.39 -0.55 8.24 7.45 1o6uE1 VAL 23 HA -0.14 0.18 0.96 -0.75 4.13 4.38 1o6uE1 VAL 23 HB -0.26 -0.06 0.10 -0.04 2.12 1.86 1o6uE1 VAL 23 HG13 -0.34 0.02 -0.10 -0.04 0.97 0.50 1o6uE1 VAL 23 HG23 -0.54 0.09 -0.09 -0.04 0.95 0.36 1o6uE1 GLN 24 H -0.11 0.41 -0.21 -0.55 8.47 8.02 1o6uE1 GLN 24 HA -0.08 0.05 0.43 -0.75 4.36 4.00 1o6uE1 GLN 24 HB2 -0.06 0.14 0.26 -0.04 2.15 2.45 1o6uE1 GLN 24 HB3 -0.05 -0.02 0.14 -0.04 2.02 2.04 1o6uE1 GLN 24 HG2 -0.03 -0.04 0.02 -0.04 2.40 2.31 1o6uE1 GLN 24 HG3 -0.04 -0.03 -0.13 -0.04 2.39 2.14 1o6uE1 GLN 24 HE21 -0.03 0.01 0.04 -0.04 6.97 6.94 1o6uE1 GLN 24 HE22 -0.04 -0.02 0.04 -0.04 7.69 7.63 1o6uE1 ASP 25 H -0.07 0.16 -0.30 -0.55 8.40 7.65 1o6uE1 ASP 25 HA -0.05 0.03 0.34 -0.75 4.63 4.21 1o6uE1 ASP 25 HB2 -0.04 -0.01 0.10 -0.04 2.71 2.71 1o6uE1 ASP 25 HB3 -0.04 -0.03 0.08 -0.04 2.70 2.66 1o6uE1 VAL 26 H -0.09 0.58 -0.46 -0.55 8.24 7.72 1o6uE1 VAL 26 HA -0.07 0.17 1.02 -0.75 4.13 4.50 1o6uE1 VAL 26 HB -0.09 -0.07 -0.09 -0.04 2.12 1.83 1o6uE1 VAL 26 HG13 -0.13 0.09 -0.13 -0.04 0.97 0.76 1o6uE1 VAL 26 HG23 -0.08 -0.01 0.06 -0.04 0.95 0.87 1o6uE1 LEU 27 H -0.08 0.33 0.06 -0.55 8.37 8.13 1o6uE1 LEU 27 HA -0.07 0.06 0.41 -0.75 4.35 4.00 1o6uE1 LEU 27 HB2 -0.06 0.08 0.17 -0.04 1.64 1.80 1o6uE1 LEU 27 HB3 -0.05 -0.04 0.05 -0.04 1.64 1.56 1o6uE1 LEU 27 HG -0.10 0.10 -0.04 -0.04 1.64 1.56 1o6uE1 LEU 27 HD13 -0.05 -0.01 0.02 -0.04 0.93 0.85 1o6uE1 LEU 27 HD23 -0.06 -0.01 -0.05 -0.04 0.89 0.72 1o6uE1 PRO 28 HA -0.05 0.07 0.45 -0.51 4.44 4.40 1o6uE1 PRO 28 HB2 -0.04 0.01 -0.04 -0.04 2.28 2.17 1o6uE1 PRO 28 HB3 -0.04 -0.03 0.08 -0.04 2.02 1.99 1o6uE1 PRO 28 HG2 -0.05 0.03 -0.09 -0.04 2.03 1.88 1o6uE1 PRO 28 HG3 -0.04 0.02 -0.03 -0.04 2.03 1.94 1o6uE1 PRO 28 HD2 -0.06 -0.02 -0.34 -0.04 3.68 3.22 1o6uE1 PRO 28 HD3 -0.05 0.14 0.10 -0.04 3.65 3.80 1o6uE1 ALA 29 H -0.06 0.23 -0.41 -0.55 8.40 7.62 1o6uE1 ALA 29 HA -0.05 0.03 0.47 -0.75 4.34 4.04 1o6uE1 ALA 29 HB3 -0.06 0.01 0.08 -0.04 1.41 1.39 1o6uE1 LEU 30 H -0.08 0.42 -0.50 -0.55 8.37 7.66 1o6uE1 LEU 30 HA -0.09 0.17 0.86 -0.75 4.35 4.54 1o6uE1 LEU 30 HB2 -0.14 0.05 0.08 -0.04 1.64 1.59 1o6uE1 LEU 30 HB3 -0.31 0.02 -0.10 -0.04 1.64 1.20 1o6uE1 LEU 30 HG -0.07 0.04 -0.15 -0.04 1.64 1.42 1o6uE1 LEU 30 HD13 0.06 -0.03 -0.12 -0.04 0.93 0.80 1o6uE1 LEU 30 HD23 0.05 0.01 -0.05 -0.04 0.89 0.86 1o6uE1 PRO 31 HA -0.09 0.02 0.64 -0.51 4.44 4.51 1o6uE1 PRO 31 HB2 -0.04 0.01 0.04 -0.04 2.28 2.24 1o6uE1 PRO 31 HB3 -0.03 0.02 0.07 -0.04 2.02 2.03 1o6uE1 PRO 31 HG2 -0.09 0.04 0.16 -0.04 2.03 2.10 1o6uE1 PRO 31 HG3 0.02 0.04 0.08 -0.04 2.03 2.12 1o6uE1 PRO 31 HD2 -0.10 0.09 0.18 -0.04 3.68 3.82 1o6uE1 PRO 31 HD3 -0.05 0.18 0.17 -0.04 3.65 3.91 1o6uE1 ASN 32 H -0.09 0.15 0.16 -0.55 8.53 8.20 1o6uE1 ASN 32 HA -0.06 -0.00 0.34 -0.75 4.76 4.28 1o6uE1 ASN 32 HB2 -0.03 -0.01 -0.02 -0.04 2.88 2.78 1o6uE1 ASN 32 HB3 -0.06 0.19 0.01 -0.04 2.79 2.89 1o6uE1 ASN 32 HD21 0.05 -0.07 0.03 -0.04 7.03 6.99 1o6uE1 ASN 32 HD22 0.02 0.11 0.05 -0.04 7.74 7.88 1o6uE1 PRO 33 HA -0.25 0.14 0.49 -0.51 4.44 4.31 1o6uE1 PRO 33 HB2 -0.01 -0.06 0.17 -0.04 2.28 2.34 1o6uE1 PRO 33 HB3 0.02 0.04 0.04 -0.04 2.02 2.08 1o6uE1 PRO 33 HG2 -0.11 0.19 0.05 -0.04 2.03 2.11 1o6uE1 PRO 33 HG3 -0.32 0.02 -0.30 -0.04 2.03 1.39 1o6uE1 PRO 33 HD2 -0.08 0.01 0.03 -0.04 3.68 3.60 1o6uE1 PRO 33 HD3 -0.15 0.12 -0.14 -0.04 3.65 3.45 1o6uE1 ASP 34 H 0.13 0.49 -0.22 -0.55 8.40 8.25 1o6uE1 ASP 34 HA 0.11 0.15 0.48 -0.75 4.63 4.61 1o6uE1 ASP 34 HB2 0.19 -0.16 0.19 -0.04 2.71 2.89 1o6uE1 ASP 34 HB3 0.12 0.08 0.04 -0.04 2.70 2.90 1o6uE1 ASP 35 H 0.09 0.15 0.14 -0.55 8.40 8.23 1o6uE1 ASP 35 HA 0.10 0.14 0.43 -0.75 4.63 4.55 1o6uE1 ASP 35 HB2 -0.13 -0.01 0.11 -0.04 2.71 2.63 1o6uE1 ASP 35 HB3 -0.08 0.01 -0.01 -0.04 2.70 2.59 1o6uE1 TYR 36 H 0.19 0.08 -0.12 -0.55 8.29 7.89 1o6uE1 TYR 36 HA 0.05 0.05 0.37 -0.75 4.56 4.27 1o6uE1 TYR 36 HB2 0.10 0.02 0.01 -0.04 3.06 3.14 1o6uE1 TYR 36 HB3 0.05 0.14 -0.04 -0.04 2.98 3.09 1o6uE1 TYR 36 HD2 0.05 0.00 0.02 -0.04 7.15 7.18 1o6uE1 TYR 36 HE2 0.04 0.04 0.00 -0.04 6.85 6.89 1o6uE1 PHE 37 H 0.39 -0.01 -0.37 -0.55 8.34 7.80 1o6uE1 PHE 37 HA 0.11 0.15 0.37 -0.75 4.62 4.51 1o6uE1 PHE 37 HB2 0.14 0.08 0.18 -0.04 3.15 3.51 1o6uE1 PHE 37 HB3 0.16 0.04 0.09 -0.04 3.06 3.31 1o6uE1 PHE 37 HD2 0.17 -0.02 -0.08 -0.04 7.28 7.31 1o6uE1 PHE 37 HE2 0.16 0.01 -0.06 -0.04 7.38 7.45 1o6uE1 PHE 37 HZ 0.29 0.01 -0.05 -0.04 7.32 7.53 1o6uE1 LEU 38 H 0.32 0.45 -0.15 -0.55 8.37 8.45 1o6uE1 LEU 38 HA 0.40 0.10 0.36 -0.75 4.35 4.46 1o6uE1 LEU 38 HB2 0.22 -0.02 0.06 -0.04 1.64 1.86 1o6uE1 LEU 38 HB3 0.43 -0.06 -0.04 -0.04 1.64 1.93 1o6uE1 LEU 38 HG 0.30 0.21 -0.10 -0.04 1.64 2.01 1o6uE1 LEU 38 HD13 0.09 -0.03 -0.07 -0.04 0.93 0.87 1o6uE1 LEU 38 HD23 0.16 0.00 -0.08 -0.04 0.89 0.92 1o6uE1 LEU 39 H 0.07 0.59 -0.24 -0.55 8.37 8.24 1o6uE1 LEU 39 HA -0.15 -0.07 0.44 -0.75 4.35 3.81 1o6uE1 LEU 39 HB2 -0.01 0.12 0.11 -0.04 1.64 1.82 1o6uE1 LEU 39 HB3 -0.03 0.11 0.10 -0.04 1.64 1.78 1o6uE1 LEU 39 HG 0.04 0.06 0.02 -0.04 1.64 1.72 1o6uE1 LEU 39 HD13 -0.02 -0.04 -0.18 -0.04 0.93 0.65 1o6uE1 LEU 39 HD23 0.14 0.00 -0.06 -0.04 0.89 0.93 1o6uE1 ARG 40 H -0.19 0.44 -0.46 -0.55 8.46 7.70 1o6uE1 ARG 40 HA -0.29 0.03 0.45 -0.75 4.34 3.77 1o6uE1 ARG 40 HB2 -0.76 0.17 0.12 -0.04 1.90 1.39 1o6uE1 ARG 40 HB3 -0.71 0.12 -0.10 -0.04 1.80 1.07 1o6uE1 ARG 40 HG2 -0.19 -0.09 0.01 -0.04 1.67 1.36 1o6uE1 ARG 40 HG3 -0.15 0.18 0.08 -0.04 1.67 1.74 1o6uE1 ARG 40 HD2 -0.32 0.32 -0.06 -0.04 3.22 3.13 1o6uE1 ARG 40 HD3 -0.11 -0.01 -0.03 -0.04 3.22 3.02 1o6uE1 TRP 41 H -0.25 0.32 -0.17 -0.55 7.97 7.32 1o6uE1 TRP 41 HA -0.27 0.12 0.48 -0.75 4.62 4.20 1o6uE1 TRP 41 HB2 -0.17 0.02 0.08 -0.04 3.23 3.12 1o6uE1 TRP 41 HB3 -0.17 0.11 0.08 -0.04 3.23 3.21 1o6uE1 TRP 41 HD1 -0.41 -0.01 0.10 -0.04 7.22 6.86 1o6uE1 TRP 41 HE1 -2.04 -0.03 -0.05 -0.04 10.20 8.03 1o6uE1 TRP 41 HE3 -0.19 -0.01 0.04 -0.04 7.59 7.39 1o6uE1 TRP 41 HZ2 -0.45 0.00 0.00 -0.04 7.44 6.95 1o6uE1 TRP 41 HZ3 -0.28 0.23 0.07 -0.04 7.13 7.11 1o6uE1 TRP 41 HH2 -1.05 0.04 0.07 -0.04 7.19 6.21 1o6uE1 LEU 42 H -0.30 0.38 -0.15 -0.55 8.37 7.75 1o6uE1 LEU 42 HA -0.58 0.01 0.36 -0.75 4.35 3.39 1o6uE1 LEU 42 HB2 -0.75 0.10 0.12 -0.04 1.64 1.06 1o6uE1 LEU 42 HB3 -1.73 -0.11 -0.05 -0.04 1.64 -0.29 1o6uE1 LEU 42 HG -0.85 0.16 -0.06 -0.04 1.64 0.85 1o6uE1 LEU 42 HD13 -0.07 -0.02 -0.16 -0.04 0.93 0.64 1o6uE1 LEU 42 HD23 -0.69 -0.02 -0.16 -0.04 0.89 -0.02 1o6uE1 ARG 43 H -0.43 0.71 -0.14 -0.55 8.46 8.05 1o6uE1 ARG 43 HA -0.16 -0.06 0.45 -0.75 4.34 3.82 1o6uE1 ARG 43 HB2 -0.19 0.15 0.15 -0.04 1.90 1.97 1o6uE1 ARG 43 HB3 -0.08 -0.05 0.02 -0.04 1.80 1.64 1o6uE1 ARG 43 HG2 0.17 -0.15 0.10 -0.04 1.67 1.75 1o6uE1 ARG 43 HG3 -0.10 0.19 0.16 -0.04 1.67 1.88 1o6uE1 ARG 43 HD2 0.01 -0.06 0.01 -0.04 3.22 3.13 1o6uE1 ARG 43 HD3 0.06 0.08 -0.15 -0.04 3.22 3.17 1o6uE1 ALA 44 H -0.26 0.43 -0.40 -0.55 8.40 7.62 1o6uE1 ALA 44 HA -0.15 -0.04 0.40 -0.75 4.34 3.80 1o6uE1 ALA 44 HB3 -0.22 0.06 0.13 -0.04 1.41 1.33 1o6uE1 ARG 45 H -0.18 0.28 -0.72 -0.55 8.46 7.29 1o6uE1 ARG 45 HA -0.06 0.17 0.79 -0.75 4.34 4.48 1o6uE1 ARG 45 HB2 -0.13 0.06 0.02 -0.04 1.90 1.81 1o6uE1 ARG 45 HB3 -0.07 -0.19 0.15 -0.04 1.80 1.65 1o6uE1 ARG 45 HG2 -0.06 0.07 -0.50 -0.04 1.67 1.14 1o6uE1 ARG 45 HG3 -0.04 0.06 -0.36 -0.04 1.67 1.28 1o6uE1 ARG 45 HD2 -0.04 -0.17 -0.01 -0.04 3.22 2.96 1o6uE1 ARG 45 HD3 -0.05 0.14 0.09 -0.04 3.22 3.36 1o6uE1 SER 46 H -0.05 0.49 -0.13 -0.55 8.46 8.22 1o6uE1 SER 46 HA 0.12 0.08 0.34 -0.75 4.49 4.27 1o6uE1 SER 46 HB2 0.01 0.04 -0.09 -0.04 3.95 3.87 1o6uE1 SER 46 HB3 0.05 -0.05 0.16 -0.04 3.93 4.04 1o6uE1 PHE 47 H -0.20 0.97 -0.13 -0.55 8.34 8.42 1o6uE1 PHE 47 HA -0.14 -0.00 0.19 -0.75 4.62 3.91 1o6uE1 PHE 47 HB2 -0.06 0.15 -0.22 -0.04 3.15 2.98 1o6uE1 PHE 47 HB3 -0.06 -0.11 0.18 -0.04 3.06 3.02 1o6uE1 PHE 47 HD2 -0.06 -0.04 -0.16 -0.04 7.28 6.98 1o6uE1 PHE 47 HE2 -0.05 0.08 -0.03 -0.04 7.38 7.34 1o6uE1 PHE 47 HZ -0.05 0.15 0.05 -0.04 7.32 7.43 1o6uE1 ASP 48 H -0.05 0.61 -0.31 -0.55 8.40 8.10 1o6uE1 ASP 48 HA 0.01 0.04 0.65 -0.75 4.63 4.57 1o6uE1 ASP 48 HB2 -0.01 0.16 0.11 -0.04 2.71 2.94 1o6uE1 ASP 48 HB3 -0.04 0.03 0.23 -0.04 2.70 2.88 1o6uE1 LEU 49 H 0.01 0.22 0.16 -0.55 8.37 8.22 1o6uE1 LEU 49 HA -0.05 0.11 0.27 -0.75 4.35 3.93 1o6uE1 LEU 49 HB2 0.04 -0.07 0.12 -0.04 1.64 1.69 1o6uE1 LEU 49 HB3 0.08 0.04 -0.03 -0.04 1.64 1.69 1o6uE1 LEU 49 HG 0.05 0.08 0.10 -0.04 1.64 1.82 1o6uE1 LEU 49 HD13 0.06 -0.01 0.00 -0.04 0.93 0.94 1o6uE1 LEU 49 HD23 0.12 0.03 0.00 -0.04 0.89 1.00 1o6uE1 GLN 50 H 0.01 0.04 -0.18 -0.55 8.47 7.80 1o6uE1 GLN 50 HA 0.03 0.12 0.43 -0.75 4.36 4.18 1o6uE1 GLN 50 HB2 0.01 -0.02 0.09 -0.04 2.15 2.19 1o6uE1 GLN 50 HB3 0.00 -0.05 0.10 -0.04 2.02 2.02 1o6uE1 GLN 50 HG2 0.00 0.05 -0.17 -0.04 2.40 2.24 1o6uE1 GLN 50 HG3 0.01 0.02 0.01 -0.04 2.39 2.39 1o6uE1 GLN 50 HE21 -0.00 -0.01 -0.01 -0.04 6.97 6.91 1o6uE1 GLN 50 HE22 -0.00 0.03 -0.05 -0.04 7.69 7.63 1o6uE1 LYS 51 H -0.01 0.03 -0.09 -0.55 8.42 7.79 1o6uE1 LYS 51 HA -0.01 0.03 0.39 -0.75 4.32 3.98 1o6uE1 LYS 51 HB2 -0.04 0.08 0.13 -0.04 1.87 2.00 1o6uE1 LYS 51 HB3 -0.03 0.09 0.04 -0.04 1.79 1.85 1o6uE1 LYS 51 HG2 -0.01 0.01 0.04 -0.04 1.46 1.46 1o6uE1 LYS 51 HG3 -0.01 -0.14 0.08 -0.04 1.46 1.34 1o6uE1 LYS 51 HD2 -0.02 0.06 0.06 -0.04 1.69 1.75 1o6uE1 LYS 51 HD3 -0.02 0.06 0.03 -0.04 1.68 1.71 1o6uE1 LYS 51 HE2 -0.01 -0.06 0.03 -0.04 2.99 2.90 1o6uE1 LYS 51 HE3 -0.01 0.02 0.01 -0.04 2.99 2.97 1o6uE1 SER 52 H -0.08 0.64 -0.18 -0.55 8.46 8.30 1o6uE1 SER 52 HA -0.06 0.12 0.29 -0.75 4.49 4.08 1o6uE1 SER 52 HB2 -0.38 -0.04 -0.06 -0.04 3.95 3.44 1o6uE1 SER 52 HB3 -0.69 -0.04 -0.22 -0.04 3.93 2.93 1o6uE1 GLU 53 H 0.08 0.37 -0.28 -0.55 8.60 8.22 1o6uE1 GLU 53 HA 0.27 0.04 0.45 -0.75 4.29 4.30 1o6uE1 GLU 53 HB2 0.22 0.01 0.11 -0.04 2.09 2.39 1o6uE1 GLU 53 HB3 0.07 0.03 0.13 -0.04 1.99 2.18 1o6uE1 GLU 53 HG2 -0.00 -0.04 -0.17 -0.04 2.34 2.08 1o6uE1 GLU 53 HG3 -0.01 -0.01 -0.01 -0.04 2.34 2.26 1o6uE1 ALA 54 H 0.02 0.47 -0.14 -0.55 8.40 8.20 1o6uE1 ALA 54 HA -0.02 -0.04 0.31 -0.75 4.34 3.84 1o6uE1 ALA 54 HB3 -0.01 0.01 0.12 -0.04 1.41 1.49 1o6uE1 LEU 56 HA -1.13 -0.02 0.36 -0.75 4.35 2.81 1o6uE1 LEU 56 HB2 -0.59 0.03 0.12 -0.04 1.64 1.16 1o6uE1 LEU 56 HB3 -0.21 0.02 0.10 -0.04 1.64 1.51 1o6uE1 LEU 56 HG -0.35 -0.05 -0.26 -0.04 1.64 0.95 1o6uE1 LEU 56 HD13 -1.20 -0.01 0.02 -0.04 0.93 -0.30 1o6uE1 LEU 56 HD23 -0.30 -0.01 -0.07 -0.04 0.89 0.47 1o6uE1 ARG 57 H -0.12 0.78 -0.49 -0.55 8.46 8.08 1o6uE1 ARG 57 HA -0.12 -0.02 0.48 -0.75 4.34 3.93 1o6uE1 ARG 57 HB2 -0.05 0.11 0.13 -0.04 1.90 2.05 1o6uE1 ARG 57 HB3 -0.06 -0.12 0.03 -0.04 1.80 1.62 1o6uE1 ARG 57 HG2 -0.09 -0.08 0.02 -0.04 1.67 1.48 1o6uE1 ARG 57 HG3 -0.08 0.26 0.06 -0.04 1.67 1.88 1o6uE1 ARG 57 HD2 -0.03 -0.02 -0.08 -0.04 3.22 3.05 1o6uE1 ARG 57 HD3 -0.05 -0.07 -0.02 -0.04 3.22 3.04 1o6uE1 LYS 58 H -0.06 0.65 0.29 -0.55 8.42 8.74 1o6uE1 LYS 58 HA -0.01 -0.03 0.49 -0.75 4.32 4.02 1o6uE1 LYS 58 HB2 -0.01 0.09 0.16 -0.04 1.87 2.06 1o6uE1 LYS 58 HB3 -0.01 0.09 0.04 -0.04 1.79 1.88 1o6uE1 LYS 58 HG2 0.03 -0.02 -0.12 -0.04 1.46 1.31 1o6uE1 LYS 58 HG3 0.01 -0.08 0.06 -0.04 1.46 1.41 1o6uE1 LYS 58 HD2 -0.00 -0.03 0.00 -0.04 1.69 1.62 1o6uE1 LYS 58 HD3 -0.01 0.08 -0.05 -0.04 1.68 1.67 1o6uE1 LYS 58 HE2 0.01 0.01 -0.05 -0.04 2.99 2.92 1o6uE1 LYS 58 HE3 0.01 -0.06 -0.01 -0.04 2.99 2.88 1o6uE1 HIS 59 H -0.05 0.24 -0.30 -0.55 8.41 7.75 1o6uE1 HIS 59 HA 0.00 0.02 0.40 -0.75 4.63 4.30 1o6uE1 HIS 59 HB2 -0.12 0.14 0.14 -0.04 3.26 3.38 1o6uE1 HIS 59 HB3 -0.48 0.20 0.18 -0.04 3.20 3.06 1o6uE1 HIS 59 HD2 0.00 -0.01 -0.05 -0.04 6.97 6.87 1o6uE1 HIS 59 HE1 0.01 -0.03 0.01 -0.04 7.75 7.69 1o6uE1 VAL 60 H -0.12 0.53 -0.12 -0.55 8.24 7.98 1o6uE1 VAL 60 HA -0.21 0.04 0.41 -0.75 4.13 3.62 1o6uE1 VAL 60 HB -0.10 0.14 0.20 -0.04 2.12 2.32 1o6uE1 VAL 60 HG13 -0.09 -0.03 -0.10 -0.04 0.97 0.72 1o6uE1 VAL 60 HG23 -0.13 0.07 0.01 -0.04 0.95 0.86 1o6uE1 GLU 61 H -0.04 0.50 -0.20 -0.55 8.60 8.31 1o6uE1 GLU 61 HA -0.05 -0.01 0.47 -0.75 4.29 3.95 1o6uE1 GLU 61 HB2 -0.03 0.00 0.13 -0.04 2.09 2.16 1o6uE1 GLU 61 HB3 0.01 0.19 0.17 -0.04 1.99 2.31 1o6uE1 GLU 61 HG2 -0.01 -0.03 0.01 -0.04 2.34 2.27 1o6uE1 GLU 61 HG3 0.00 -0.00 -0.14 -0.04 2.34 2.15 1o6uE1 PHE 62 H 0.11 0.50 -0.22 -0.55 8.34 8.17 1o6uE1 PHE 62 HA -0.05 -0.03 0.46 -0.75 4.62 4.24 1o6uE1 PHE 62 HB2 -0.00 -0.01 0.07 -0.04 3.15 3.16 1o6uE1 PHE 62 HB3 -0.03 0.15 0.21 -0.04 3.06 3.35 1o6uE1 PHE 62 HD2 -0.01 0.02 -0.10 -0.04 7.28 7.15 1o6uE1 PHE 62 HE2 0.08 0.01 -0.10 -0.04 7.38 7.33 1o6uE1 PHE 62 HZ 0.12 0.06 -0.10 -0.04 7.32 7.36 1o6uE1 ARG 63 H -0.09 0.73 -0.06 -0.55 8.46 8.50 1o6uE1 ARG 63 HA -0.22 -0.02 0.38 -0.75 4.34 3.73 1o6uE1 ARG 63 HB2 -0.17 0.16 0.14 -0.04 1.90 2.00 1o6uE1 ARG 63 HB3 -0.12 -0.13 0.07 -0.04 1.80 1.58 1o6uE1 ARG 63 HG2 -0.14 -0.06 0.04 -0.04 1.67 1.47 1o6uE1 ARG 63 HG3 -0.71 0.34 0.07 -0.04 1.67 1.32 1o6uE1 ARG 63 HD2 -0.23 0.03 -0.03 -0.04 3.22 2.95 1o6uE1 ARG 63 HD3 -0.22 0.01 -0.01 -0.04 3.22 2.96 1o6uE1 LYS 64 H -0.13 0.38 -0.43 -0.55 8.42 7.69 1o6uE1 LYS 64 HA -0.10 -0.00 0.52 -0.75 4.32 3.98 1o6uE1 LYS 64 HB2 -0.08 0.03 0.13 -0.04 1.87 1.91 1o6uE1 LYS 64 HB3 -0.08 0.17 0.22 -0.04 1.79 2.06 1o6uE1 LYS 64 HG2 -0.07 0.00 -0.21 -0.04 1.46 1.15 1o6uE1 LYS 64 HG3 -0.06 -0.06 0.04 -0.04 1.46 1.34 1o6uE1 LYS 64 HD2 -0.05 -0.01 0.01 -0.04 1.69 1.61 1o6uE1 LYS 64 HD3 -0.05 0.02 0.02 -0.04 1.68 1.63 1o6uE1 LYS 64 HE2 -0.04 -0.04 -0.00 -0.04 2.99 2.87 1o6uE1 LYS 64 HE3 -0.04 -0.01 -0.02 -0.04 2.99 2.88 1o6uE1 GLN 65 H -0.14 0.63 0.07 -0.55 8.47 8.48 1o6uE1 GLN 65 HA -0.11 -0.01 0.43 -0.75 4.36 3.92 1o6uE1 GLN 65 HB2 -0.16 0.08 0.17 -0.04 2.15 2.19 1o6uE1 GLN 65 HB3 -0.10 -0.07 0.03 -0.04 2.02 1.84 1o6uE1 GLN 65 HG2 -0.06 0.25 0.13 -0.04 2.40 2.67 1o6uE1 GLN 65 HG3 -0.03 -0.06 -0.01 -0.04 2.39 2.25 1o6uE1 GLN 65 HE21 -0.03 -0.06 0.00 -0.04 6.97 6.85 1o6uE1 GLN 65 HE22 -0.02 0.00 -0.01 -0.04 7.69 7.62 1o6uE1 LYS 66 H -0.41 0.61 -0.18 -0.55 8.42 7.89 1o6uE1 LYS 66 HA -0.25 0.12 0.69 -0.75 4.32 4.12 1o6uE1 LYS 66 HB2 -0.65 0.00 -0.03 -0.04 1.87 1.15 1o6uE1 LYS 66 HB3 -0.36 -0.00 0.08 -0.04 1.79 1.47 1o6uE1 LYS 66 HG2 -0.84 0.07 0.01 -0.04 1.46 0.66 1o6uE1 LYS 66 HG3 -1.05 0.01 -0.05 -0.04 1.46 0.33 1o6uE1 LYS 66 HD2 -0.19 0.01 -0.05 -0.04 1.69 1.41 1o6uE1 LYS 66 HD3 -0.22 0.02 -0.23 -0.04 1.68 1.21 1o6uE1 LYS 66 HE2 -0.05 -0.03 -0.08 -0.04 2.99 2.79 1o6uE1 LYS 66 HE3 0.12 0.04 -0.07 -0.04 2.99 3.04 1o6uE1 ASP 67 H -0.18 0.29 -0.52 -0.55 8.40 7.43 1o6uE1 ASP 67 HA -0.10 0.03 0.38 -0.75 4.63 4.19 1o6uE1 ASP 67 HB2 -0.09 0.05 -0.09 -0.04 2.71 2.54 1o6uE1 ASP 67 HB3 -0.11 0.15 -0.09 -0.04 2.70 2.61 1o6uE1 ILE 68 H -0.15 0.49 0.01 -0.55 8.25 8.05 1o6uE1 ILE 68 HA -0.03 0.13 0.38 -0.75 4.18 3.90 1o6uE1 ILE 68 HB -0.02 -0.02 0.12 -0.04 1.89 1.93 1o6uE1 ILE 68 HG12 -0.30 0.00 -0.00 -0.04 1.49 1.15 1o6uE1 ILE 68 HG13 0.09 0.02 -0.04 -0.04 1.21 1.24 1o6uE1 ILE 68 HG23 0.15 0.01 -0.07 -0.04 0.93 0.98 1o6uE1 ILE 68 HD13 -0.03 0.03 -0.07 -0.04 0.88 0.77 1o6uE1 ASP 69 H -0.03 0.15 -0.15 -0.55 8.40 7.83 1o6uE1 ASP 69 HA 0.02 0.09 0.37 -0.75 4.63 4.35 1o6uE1 ASP 69 HB2 -0.01 -0.02 0.00 -0.04 2.71 2.64 1o6uE1 ASP 69 HB3 0.00 -0.01 0.06 -0.04 2.70 2.71 1o6uE1 ASN 70 H 0.00 0.38 -0.56 -0.55 8.53 7.81 1o6uE1 ASN 70 HA 0.05 0.17 0.98 -0.75 4.76 5.20 1o6uE1 ASN 70 HB2 0.02 0.13 0.03 -0.04 2.88 3.02 1o6uE1 ASN 70 HB3 0.05 -0.07 0.16 -0.04 2.79 2.89 1o6uE1 ASN 70 HD21 0.02 -0.03 -0.04 -0.04 7.03 6.93 1o6uE1 ASN 70 HD22 0.04 -0.02 0.02 -0.04 7.74 7.74 1o6uE1 ILE 71 H 0.04 0.48 0.01 -0.55 8.25 8.23 1o6uE1 ILE 71 HA 0.10 0.05 0.45 -0.75 4.18 4.02 1o6uE1 ILE 71 HB -0.01 0.03 0.15 -0.04 1.89 2.02 1o6uE1 ILE 71 HG12 0.13 0.03 0.04 -0.04 1.49 1.65 1o6uE1 ILE 71 HG13 -0.07 -0.08 0.12 -0.04 1.21 1.14 1o6uE1 ILE 71 HG23 0.10 0.06 0.04 -0.04 0.93 1.08 1o6uE1 ILE 71 HD13 -0.04 0.06 0.08 -0.04 0.88 0.94 1o6uE1 ILE 72 H 0.10 0.11 -0.23 -0.55 8.25 7.68 1o6uE1 ILE 72 HA 0.13 0.16 0.43 -0.75 4.18 4.15 1o6uE1 ILE 72 HB 0.08 -0.04 0.01 -0.04 1.89 1.90 1o6uE1 ILE 72 HG12 0.09 0.07 -0.02 -0.04 1.49 1.59 1o6uE1 ILE 72 HG13 0.09 -0.02 0.00 -0.04 1.21 1.24 1o6uE1 ILE 72 HG23 0.08 -0.00 -0.08 -0.04 0.93 0.89 1o6uE1 ILE 72 HD13 0.07 0.00 -0.07 -0.04 0.88 0.84 1o6uE1 SER 73 H 0.12 0.20 -0.33 -0.55 8.46 7.90 1o6uE1 SER 73 HA 0.07 0.07 0.51 -0.75 4.49 4.38 1o6uE1 SER 73 HB2 0.07 -0.08 0.05 -0.04 3.95 3.95 1o6uE1 SER 73 HB3 0.07 -0.07 0.06 -0.04 3.93 3.94 1o6uE1 TRP 74 H 0.30 0.21 -0.33 -0.55 7.97 7.61 1o6uE1 TRP 74 HA 0.02 -0.11 0.40 -0.75 4.62 4.17 1o6uE1 TRP 74 HB2 0.01 -0.04 0.10 -0.04 3.23 3.26 1o6uE1 TRP 74 HB3 0.02 0.29 0.13 -0.04 3.23 3.63 1o6uE1 TRP 74 HD1 0.01 -0.06 0.00 -0.04 7.22 7.13 1o6uE1 TRP 74 HE1 0.01 -0.10 -0.03 -0.04 10.20 10.04 1o6uE1 TRP 74 HE3 0.02 0.16 -0.20 -0.04 7.59 7.52 1o6uE1 TRP 74 HZ2 0.02 -0.13 -0.02 -0.04 7.44 7.26 1o6uE1 TRP 74 HZ3 0.02 0.03 -0.21 -0.04 7.13 6.93 1o6uE1 TRP 74 HH2 0.02 -0.04 0.03 -0.04 7.19 7.16 1o6uE1 GLN 75 H -0.62 0.03 0.16 -0.55 8.47 7.50 1o6uE1 GLN 75 HA -0.35 0.29 0.87 -0.75 4.36 4.41 1o6uE1 GLN 75 HB2 -0.32 -0.13 0.15 -0.04 2.15 1.81 1o6uE1 GLN 75 HB3 -0.25 0.02 0.02 -0.04 2.02 1.77 1o6uE1 GLN 75 HG2 -0.13 0.10 0.02 -0.04 2.40 2.35 1o6uE1 GLN 75 HG3 -0.11 -0.12 0.02 -0.04 2.39 2.14 1o6uE1 GLN 75 HE21 -0.01 -0.02 -0.09 -0.04 6.97 6.81 1o6uE1 GLN 75 HE22 -0.02 0.44 -0.18 -0.04 7.69 7.88 1o6uE1 PRO 76 HA -1.04 0.05 0.42 -0.51 4.44 3.36 1o6uE1 PRO 76 HB2 -0.12 -0.03 -0.06 -0.04 2.28 2.03 1o6uE1 PRO 76 HB3 -0.01 -0.00 0.04 -0.04 2.02 2.01 1o6uE1 PRO 76 HG2 0.01 0.07 0.02 -0.04 2.03 2.09 1o6uE1 PRO 76 HG3 0.04 0.10 -0.02 -0.04 2.03 2.11 1o6uE1 PRO 76 HD2 -0.20 0.04 0.17 -0.04 3.68 3.65 1o6uE1 PRO 76 HD3 -0.25 0.44 0.24 -0.04 3.65 4.03 1o6uE1 PRO 77 HA -0.07 0.08 0.46 -0.51 4.44 4.40 1o6uE1 PRO 77 HB2 0.03 -0.10 0.05 -0.04 2.28 2.23 1o6uE1 PRO 77 HB3 0.04 0.04 0.15 -0.04 2.02 2.21 1o6uE1 PRO 77 HG2 0.12 -0.04 0.11 -0.04 2.03 2.19 1o6uE1 PRO 77 HG3 0.06 0.09 0.12 -0.04 2.03 2.26 1o6uE1 PRO 77 HD2 0.09 0.08 0.16 -0.04 3.68 3.97 1o6uE1 PRO 77 HD3 -0.04 0.21 0.21 -0.04 3.65 3.99 1o6uE1 GLU 78 H 0.00 0.15 0.18 -0.55 8.60 8.38 1o6uE1 GLU 78 HA -0.03 0.15 0.35 -0.75 4.29 4.01 1o6uE1 GLU 78 HB2 0.04 0.05 0.15 -0.04 2.09 2.29 1o6uE1 GLU 78 HB3 0.12 -0.05 0.15 -0.04 1.99 2.17 1o6uE1 GLU 78 HG2 0.07 -0.00 -0.30 -0.04 2.34 2.07 1o6uE1 GLU 78 HG3 0.04 0.04 -0.00 -0.04 2.34 2.38 1o6uE1 VAL 79 H 0.01 0.12 -0.11 -0.55 8.24 7.71 1o6uE1 VAL 79 HA -0.32 0.05 0.31 -0.75 4.13 3.42 1o6uE1 VAL 79 HB -0.20 0.02 0.07 -0.04 2.12 1.97 1o6uE1 VAL 79 HG13 0.02 0.03 -0.18 -0.04 0.97 0.81 1o6uE1 VAL 79 HG23 -0.28 0.01 -0.11 -0.04 0.95 0.54 1o6uE1 ILE 80 H -0.01 0.16 -0.49 -0.55 8.25 7.36 1o6uE1 ILE 80 HA 0.03 0.01 0.42 -0.75 4.18 3.89 1o6uE1 ILE 80 HB 0.01 0.15 0.02 -0.04 1.89 2.03 1o6uE1 ILE 80 HG12 0.05 -0.00 -0.09 -0.04 1.49 1.41 1o6uE1 ILE 80 HG13 0.05 -0.10 -0.10 -0.04 1.21 1.02 1o6uE1 ILE 80 HG23 0.06 0.03 -0.18 -0.04 0.93 0.79 1o6uE1 ILE 80 HD13 0.12 0.01 -0.15 -0.04 0.88 0.82 1o6uE1 GLN 81 H -0.05 0.45 -0.09 -0.55 8.47 8.23 1o6uE1 GLN 81 HA -0.04 0.10 0.37 -0.75 4.36 4.04 1o6uE1 GLN 81 HB2 -0.07 -0.02 0.07 -0.04 2.15 2.10 1o6uE1 GLN 81 HB3 -0.06 -0.03 -0.01 -0.04 2.02 1.88 1o6uE1 GLN 81 HG2 -0.06 0.01 -0.02 -0.04 2.40 2.28 1o6uE1 GLN 81 HG3 -0.09 0.12 -0.22 -0.04 2.39 2.16 1o6uE1 GLN 81 HE21 -0.12 -0.13 -0.04 -0.04 6.97 6.63 1o6uE1 GLN 81 HE22 -0.17 0.76 -0.05 -0.04 7.69 8.19 1o6uE1 GLN 82 H -0.12 0.46 -0.30 -0.55 8.47 7.97 1o6uE1 GLN 82 HA -0.25 0.11 0.55 -0.75 4.36 4.02 1o6uE1 GLN 82 HB2 -0.38 0.01 0.03 -0.04 2.15 1.77 1o6uE1 GLN 82 HB3 -0.82 -0.05 -0.05 -0.04 2.02 1.06 1o6uE1 GLN 82 HG2 -0.10 0.11 -0.04 -0.04 2.40 2.33 1o6uE1 GLN 82 HG3 -0.07 -0.11 -0.08 -0.04 2.39 2.09 1o6uE1 GLN 82 HE21 -0.06 -0.02 -0.07 -0.04 6.97 6.78 1o6uE1 GLN 82 HE22 -0.06 -0.02 -0.08 -0.04 7.69 7.49 1o6uE1 TYR 83 H -0.03 0.40 -0.10 -0.55 8.29 8.01 1o6uE1 TYR 83 HA -0.03 0.27 0.98 -0.75 4.56 5.01 1o6uE1 TYR 83 HB2 -0.09 0.04 -0.01 -0.04 3.06 2.97 1o6uE1 TYR 83 HB3 -0.04 -0.03 -0.00 -0.04 2.98 2.86 1o6uE1 TYR 83 HD2 -0.14 0.13 -0.19 -0.04 7.15 6.91 1o6uE1 TYR 83 HE2 -0.13 -0.06 -0.09 -0.04 6.85 6.54 1o6uE1 LEU 84 H 0.01 0.57 -0.02 -0.55 8.37 8.38 1o6uE1 LEU 84 HA 0.02 -0.07 0.65 -0.75 4.35 4.20 1o6uE1 LEU 84 HB2 0.03 -0.14 0.11 -0.04 1.64 1.60 1o6uE1 LEU 84 HB3 0.02 0.16 0.16 -0.04 1.64 1.94 1o6uE1 LEU 84 HG 0.03 0.21 -0.20 -0.04 1.64 1.64 1o6uE1 LEU 84 HD13 -0.00 -0.05 -0.01 -0.04 0.93 0.82 1o6uE1 LEU 84 HD23 0.03 -0.02 -0.07 -0.04 0.89 0.79 1o6uE1 SER 85 H -0.01 0.05 0.15 -0.55 8.46 8.09 1o6uE1 SER 85 HA -0.10 0.02 0.22 -0.75 4.49 3.87 1o6uE1 SER 85 HB2 -0.16 0.02 0.11 -0.04 3.95 3.89 1o6uE1 SER 85 HB3 -0.05 -0.09 -0.08 -0.04 3.93 3.67 1o6uE1 GLY 86 H -0.31 0.52 0.31 -0.55 8.43 8.40 1o6uE1 GLY 86 HA2 -0.47 0.06 0.42 -0.51 4.01 3.50 1o6uE1 GLY 86 HA3 -0.23 0.16 0.98 -0.51 4.01 4.41 1o6uE1 GLY 87 H -1.79 0.41 0.32 -0.55 8.43 6.82 1o6uE1 GLY 87 HA2 -0.70 0.10 0.31 -0.51 4.01 3.21 1o6uE1 GLY 87 HA3 -0.50 0.25 0.63 -0.51 4.01 3.88 1o6uE1 CYS 89 HA -0.10 -0.19 0.34 -0.75 4.58 3.88 1o6uE1 CYS 89 HB2 -0.21 -0.07 -0.23 -0.04 2.97 2.42 1o6uE1 CYS 89 HB3 -0.23 -0.01 -0.09 -0.04 2.97 2.60 1o6uE1 GLY 90 H -0.22 -0.03 0.14 -0.55 8.43 7.78 1o6uE1 GLY 90 HA2 -0.18 -0.10 0.41 -0.51 4.01 3.63 1o6uE1 GLY 90 HA3 -0.04 0.33 0.60 -0.51 4.01 4.40 1o6uE1 TYR 91 H 0.09 0.16 0.20 -0.55 8.29 8.18 1o6uE1 TYR 91 HA 0.08 0.32 0.82 -0.75 4.56 5.02 1o6uE1 TYR 91 HB2 0.06 -0.09 -0.01 -0.04 3.06 2.98 1o6uE1 TYR 91 HB3 0.06 0.02 -0.23 -0.04 2.98 2.78 1o6uE1 TYR 91 HD2 0.06 0.01 -0.21 -0.04 7.15 6.97 1o6uE1 TYR 91 HE2 0.06 -0.02 -0.04 -0.04 6.85 6.82 1o6uE1 ASP 92 H 0.18 0.58 0.17 -0.55 8.40 8.77 1o6uE1 ASP 92 HA 0.13 0.11 0.67 -0.75 4.63 4.79 1o6uE1 ASP 92 HB2 0.16 0.25 0.22 -0.04 2.71 3.30 1o6uE1 ASP 92 HB3 0.13 0.06 0.04 -0.04 2.70 2.90 1o6uE1 LEU 93 H 0.12 0.79 0.35 -0.55 8.37 9.08 1o6uE1 LEU 93 HA 0.08 0.04 0.34 -0.75 4.35 4.06 1o6uE1 LEU 93 HB2 0.08 0.07 0.06 -0.04 1.64 1.81 1o6uE1 LEU 93 HB3 0.05 -0.02 0.03 -0.04 1.64 1.66 1o6uE1 LEU 93 HG 0.07 -0.02 -0.34 -0.04 1.64 1.32 1o6uE1 LEU 93 HD13 0.02 0.03 -0.26 -0.04 0.93 0.68 1o6uE1 LEU 93 HD23 0.04 -0.01 -0.06 -0.04 0.89 0.82 1o6uE1 ASP 94 H 0.09 0.03 -0.41 -0.55 8.40 7.57 1o6uE1 ASP 94 HA 0.05 0.18 0.72 -0.75 4.63 4.82 1o6uE1 ASP 94 HB2 0.07 -0.05 -0.01 -0.04 2.71 2.68 1o6uE1 ASP 94 HB3 0.05 0.03 0.09 -0.04 2.70 2.83 1o6uE1 GLY 95 H 0.10 0.60 -0.25 -0.55 8.43 8.33 1o6uE1 GLY 95 HA2 0.05 0.03 0.22 -0.51 4.01 3.80 1o6uE1 GLY 95 HA3 0.01 0.15 0.66 -0.51 4.01 4.32 1o6uE1 CYS 96 H 0.11 -0.10 -0.15 -0.55 8.50 7.81 1o6uE1 CYS 96 HA 0.12 0.19 0.59 -0.75 4.58 4.73 1o6uE1 CYS 96 HB2 0.10 -0.17 0.04 -0.04 2.97 2.89 1o6uE1 CYS 96 HB3 0.08 0.29 0.08 -0.04 2.97 3.38 1o6uE1 PRO 97 HA 0.15 0.17 0.56 -0.51 4.44 4.81 1o6uE1 PRO 97 HB2 0.14 -0.03 -0.01 -0.04 2.28 2.34 1o6uE1 PRO 97 HB3 0.15 0.06 0.07 -0.04 2.02 2.26 1o6uE1 PRO 97 HG2 0.16 0.05 -0.05 -0.04 2.03 2.15 1o6uE1 PRO 97 HG3 0.33 0.05 -0.02 -0.04 2.03 2.35 1o6uE1 PRO 97 HD2 0.12 0.21 0.25 -0.04 3.68 4.21 1o6uE1 PRO 97 HD3 0.15 0.12 0.28 -0.04 3.65 4.15 1o6uE1 VAL 98 H -0.02 0.59 0.23 -0.55 8.24 8.50 1o6uE1 VAL 98 HA 0.07 0.24 1.05 -0.75 4.13 4.73 1o6uE1 VAL 98 HB 0.05 0.32 -0.05 -0.04 2.12 2.40 1o6uE1 VAL 98 HG13 -0.15 -0.04 -0.21 -0.04 0.97 0.53 1o6uE1 VAL 98 HG23 0.07 -0.06 -0.26 -0.04 0.95 0.67 1o6uE1 TRP 99 H 0.14 0.56 0.36 -0.55 7.97 8.48 1o6uE1 TRP 99 HA 0.03 0.34 0.83 -0.75 4.62 5.07 1o6uE1 TRP 99 HB2 -0.02 0.01 -0.12 -0.04 3.23 3.07 1o6uE1 TRP 99 HB3 -0.05 -0.06 0.03 -0.04 3.23 3.12 1o6uE1 TRP 99 HD1 -0.05 -0.12 -0.36 -0.04 7.22 6.65 1o6uE1 TRP 99 HE1 -0.08 -0.07 -0.15 -0.04 10.20 9.86 1o6uE1 TRP 99 HE3 -0.00 0.07 -0.02 -0.04 7.59 7.59 1o6uE1 TRP 99 HZ2 -0.09 0.06 0.01 -0.04 7.44 7.38 1o6uE1 TRP 99 HZ3 -0.01 0.03 0.02 -0.04 7.13 7.13 1o6uE1 TRP 99 HH2 -0.04 0.07 -0.08 -0.04 7.19 7.10 1o6uE1 TYR 100 H -0.78 0.78 0.36 -0.55 8.29 8.10 1o6uE1 TYR 100 HA -0.34 0.22 1.10 -0.75 4.56 4.79 1o6uE1 TYR 100 HB2 -0.60 0.07 0.15 -0.04 3.06 2.64 1o6uE1 TYR 100 HB3 -0.51 -0.08 -0.05 -0.04 2.98 2.30 1o6uE1 TYR 100 HD2 -0.60 0.08 0.01 -0.04 7.15 6.60 1o6uE1 TYR 100 HE2 -0.49 0.17 -0.01 -0.04 6.85 6.47 1o6uE1 ASP 101 H -0.24 0.70 0.43 -0.55 8.40 8.75 1o6uE1 ASP 101 HA -0.16 0.17 0.83 -0.75 4.63 4.71 1o6uE1 ASP 101 HB2 -0.34 -0.01 0.14 -0.04 2.71 2.46 1o6uE1 ASP 101 HB3 -0.65 -0.05 -0.09 -0.04 2.70 1.88 1o6uE1 ILE 102 H -0.22 0.27 -0.08 -0.55 8.25 7.68 1o6uE1 ILE 102 HA -0.15 0.15 0.91 -0.75 4.18 4.33 1o6uE1 ILE 102 HB -0.18 -0.01 0.13 -0.04 1.89 1.79 1o6uE1 ILE 102 HG12 -0.35 -0.03 -0.18 -0.04 1.49 0.88 1o6uE1 ILE 102 HG13 -0.63 0.10 -0.08 -0.04 1.21 0.55 1o6uE1 ILE 102 HG23 0.04 -0.01 -0.08 -0.04 0.93 0.84 1o6uE1 ILE 102 HD13 -0.10 0.04 -0.27 -0.04 0.88 0.51 1o6uE1 ILE 103 H -0.22 0.55 0.10 -0.55 8.25 8.13 1o6uE1 ILE 103 HA -0.20 0.11 0.50 -0.75 4.18 3.83 1o6uE1 ILE 103 HB -0.18 0.01 0.04 -0.04 1.89 1.73 1o6uE1 ILE 103 HG12 -0.51 0.07 -0.18 -0.04 1.49 0.83 1o6uE1 ILE 103 HG13 -0.06 -0.01 -0.14 -0.04 1.21 0.96 1o6uE1 ILE 103 HG23 -0.39 -0.01 -0.15 -0.04 0.93 0.34 1o6uE1 ILE 103 HD13 -0.35 0.00 -0.22 -0.04 0.88 0.27 1o6uE1 GLY 104 H -0.09 0.19 -0.07 -0.55 8.43 7.91 1o6uE1 GLY 104 HA2 0.01 -0.02 -0.04 -0.51 4.01 3.46 1o6uE1 GLY 104 HA3 0.02 0.25 0.30 -0.51 4.01 4.07 1o6uE1 PRO 105 HA 0.07 0.08 0.53 -0.51 4.44 4.60 1o6uE1 PRO 105 HB2 0.07 0.03 0.09 -0.04 2.28 2.43 1o6uE1 PRO 105 HB3 0.07 -0.06 0.03 -0.04 2.02 2.02 1o6uE1 PRO 105 HG2 0.05 0.05 -0.31 -0.04 2.03 1.78 1o6uE1 PRO 105 HG3 0.12 0.03 -0.06 -0.04 2.03 2.08 1o6uE1 PRO 105 HD2 0.01 0.02 -0.39 -0.04 3.68 3.28 1o6uE1 PRO 105 HD3 0.05 0.07 -0.03 -0.04 3.65 3.71 1o6uE1 LEU 106 H 0.07 0.50 -0.52 -0.55 8.37 7.87 1o6uE1 LEU 106 HA 0.03 0.02 0.51 -0.75 4.35 4.16 1o6uE1 LEU 106 HB2 -0.03 0.14 0.15 -0.04 1.64 1.85 1o6uE1 LEU 106 HB3 0.07 0.05 0.12 -0.04 1.64 1.83 1o6uE1 LEU 106 HG 0.01 -0.14 -0.20 -0.04 1.64 1.27 1o6uE1 LEU 106 HD13 -0.01 0.02 0.07 -0.04 0.93 0.97 1o6uE1 LEU 106 HD23 -0.09 0.01 -0.04 -0.04 0.89 0.73 1o6uE1 ASP 107 H 0.01 0.27 0.13 -0.55 8.40 8.25 1o6uE1 ASP 107 HA -0.07 0.15 0.82 -0.75 4.63 4.78 1o6uE1 ASP 107 HB2 -0.05 0.13 -0.04 -0.04 2.71 2.70 1o6uE1 ASP 107 HB3 -0.07 0.14 0.26 -0.04 2.70 2.99 1o6uE1 ALA 108 H -0.03 0.35 -0.08 -0.55 8.40 8.09 1o6uE1 ALA 108 HA 0.02 0.10 0.28 -0.75 4.34 3.99 1o6uE1 ALA 108 HB3 0.15 0.03 0.03 -0.04 1.41 1.58 1o6uE1 LYS 109 H -0.37 0.13 -0.09 -0.55 8.42 7.53 1o6uE1 LYS 109 HA -0.94 0.08 0.37 -0.75 4.32 3.08 1o6uE1 LYS 109 HB2 -0.67 -0.05 0.07 -0.04 1.87 1.18 1o6uE1 LYS 109 HB3 -1.19 0.08 -0.11 -0.04 1.79 0.53 1o6uE1 LYS 109 HG2 -2.87 0.01 -0.02 -0.04 1.46 -1.46 1o6uE1 LYS 109 HG3 -1.58 -0.01 0.02 -0.04 1.46 -0.16 1o6uE1 LYS 109 HD2 -0.68 -0.01 0.00 -0.04 1.69 0.96 1o6uE1 LYS 109 HD3 -0.70 0.05 -0.03 -0.04 1.68 0.95 1o6uE1 LYS 109 HE2 -1.41 0.01 -0.03 -0.04 2.99 1.52 1o6uE1 LYS 109 HE3 -1.46 -0.03 -0.01 -0.04 2.99 1.46 1o6uE1 GLY 110 H -0.30 0.05 -0.24 -0.55 8.43 7.39 1o6uE1 GLY 110 HA2 -0.35 0.07 0.28 -0.51 4.01 3.49 1o6uE1 GLY 110 HA3 -0.10 0.01 0.27 -0.51 4.01 3.69 1o6uE1 LEU 111 H -0.11 0.54 -0.21 -0.55 8.37 8.05 1o6uE1 LEU 111 HA -0.02 0.03 0.32 -0.75 4.35 3.93 1o6uE1 LEU 111 HB2 -0.01 0.08 0.07 -0.04 1.64 1.73 1o6uE1 LEU 111 HB3 0.02 -0.02 -0.10 -0.04 1.64 1.49 1o6uE1 LEU 111 HG -0.02 0.04 -0.04 -0.04 1.64 1.58 1o6uE1 LEU 111 HD13 0.01 0.00 -0.13 -0.04 0.93 0.77 1o6uE1 LEU 111 HD23 0.03 -0.00 -0.17 -0.04 0.89 0.70 1o6uE1 LEU 112 H -0.04 0.54 -0.07 -0.55 8.37 8.25 1o6uE1 LEU 112 HA 0.09 0.10 0.43 -0.75 4.35 4.22 1o6uE1 LEU 112 HB2 0.20 0.05 0.06 -0.04 1.64 1.92 1o6uE1 LEU 112 HB3 0.26 -0.07 -0.00 -0.04 1.64 1.78 1o6uE1 LEU 112 HG 0.11 0.05 -0.01 -0.04 1.64 1.75 1o6uE1 LEU 112 HD13 0.08 -0.01 -0.18 -0.04 0.93 0.77 1o6uE1 LEU 112 HD23 0.06 -0.00 -0.04 -0.04 0.89 0.87 1o6uE1 PHE 113 H -0.10 0.50 -0.36 -0.55 8.34 7.82 1o6uE1 PHE 113 HA -0.09 0.08 0.67 -0.75 4.62 4.53 1o6uE1 PHE 113 HB2 -0.81 0.05 0.01 -0.04 3.15 2.37 1o6uE1 PHE 113 HB3 -0.54 0.08 0.13 -0.04 3.06 2.69 1o6uE1 PHE 113 HD2 -0.23 0.02 -0.36 -0.04 7.28 6.67 1o6uE1 PHE 113 HE2 0.08 -0.04 -0.17 -0.04 7.38 7.22 1o6uE1 PHE 113 HZ -0.04 0.00 -0.12 -0.04 7.32 7.12 1o6uE1 SER 114 H 0.03 0.28 -0.34 -0.55 8.46 7.89 1o6uE1 SER 114 HA 0.13 0.13 0.96 -0.75 4.49 4.96 1o6uE1 SER 114 HB2 0.05 0.01 -0.02 -0.04 3.95 3.96 1o6uE1 SER 114 HB3 0.17 -0.07 -0.02 -0.04 3.93 3.97 1o6uE1 ALA 115 H 0.08 0.40 0.05 -0.55 8.40 8.38 1o6uE1 ALA 115 HA 0.09 0.09 0.69 -0.75 4.34 4.45 1o6uE1 ALA 115 HB3 0.08 -0.01 -0.04 -0.04 1.41 1.39 1o6uE1 SER 116 H 0.09 0.09 0.17 -0.55 8.46 8.26 1o6uE1 SER 116 HA 0.07 0.21 0.64 -0.75 4.49 4.65 1o6uE1 SER 116 HB2 0.05 -0.02 0.16 -0.04 3.95 4.10 1o6uE1 SER 116 HB3 0.07 0.12 0.13 -0.04 3.93 4.21 1o6uE1 LYS 117 H 0.05 0.21 0.22 -0.55 8.42 8.34 1o6uE1 LYS 117 HA 0.05 0.13 0.44 -0.75 4.32 4.19 1o6uE1 LYS 117 HB2 0.03 0.06 0.15 -0.04 1.87 2.07 1o6uE1 LYS 117 HB3 0.02 -0.02 0.12 -0.04 1.79 1.87 1o6uE1 LYS 117 HG2 0.01 0.03 -0.07 -0.04 1.46 1.40 1o6uE1 LYS 117 HG3 0.03 0.00 0.11 -0.04 1.46 1.56 1o6uE1 LYS 117 HD2 -0.02 0.04 0.03 -0.04 1.69 1.70 1o6uE1 LYS 117 HD3 -0.01 0.01 0.04 -0.04 1.68 1.69 1o6uE1 LYS 117 HE2 -0.04 0.02 -0.00 -0.04 2.99 2.92 1o6uE1 LYS 117 HE3 -0.01 -0.04 0.03 -0.04 2.99 2.93 1o6uE1 GLN 118 H 0.04 0.01 -0.21 -0.55 8.47 7.76 1o6uE1 GLN 118 HA 0.00 0.16 0.41 -0.75 4.36 4.18 1o6uE1 GLN 118 HB2 0.01 -0.00 0.08 -0.04 2.15 2.19 1o6uE1 GLN 118 HB3 0.02 -0.06 0.04 -0.04 2.02 1.98 1o6uE1 GLN 118 HG2 -0.07 0.05 -0.15 -0.04 2.40 2.18 1o6uE1 GLN 118 HG3 -0.04 0.05 0.01 -0.04 2.39 2.37 1o6uE1 GLN 118 HE21 -0.02 -0.00 -0.01 -0.04 6.97 6.89 1o6uE1 GLN 118 HE22 -0.04 0.03 -0.01 -0.04 7.69 7.63 1o6uE1 ASP 119 H 0.08 0.05 -0.24 -0.55 8.40 7.75 1o6uE1 ASP 119 HA 0.12 0.15 0.48 -0.75 4.63 4.63 1o6uE1 ASP 119 HB2 0.16 -0.00 0.15 -0.04 2.71 2.98 1o6uE1 ASP 119 HB3 0.33 0.06 0.02 -0.04 2.70 3.06 1o6uE1 LEU 120 H 0.09 0.33 -0.23 -0.55 8.37 8.01 1o6uE1 LEU 120 HA 0.10 0.06 0.39 -0.75 4.35 4.15 1o6uE1 LEU 120 HB2 0.05 0.06 0.11 -0.04 1.64 1.82 1o6uE1 LEU 120 HB3 0.04 0.02 -0.06 -0.04 1.64 1.60 1o6uE1 LEU 120 HG 0.08 0.07 -0.09 -0.04 1.64 1.65 1o6uE1 LEU 120 HD13 0.05 -0.02 -0.22 -0.04 0.93 0.70 1o6uE1 LEU 120 HD23 0.05 -0.00 -0.10 -0.04 0.89 0.81 1o6uE1 LEU 121 H 0.05 0.49 -0.16 -0.55 8.37 8.21 1o6uE1 LEU 121 HA 0.07 0.03 0.37 -0.75 4.35 4.07 1o6uE1 LEU 121 HB2 0.03 0.02 0.10 -0.04 1.64 1.75 1o6uE1 LEU 121 HB3 0.09 0.03 -0.02 -0.04 1.64 1.71 1o6uE1 LEU 121 HG 0.05 0.22 0.12 -0.04 1.64 1.98 1o6uE1 LEU 121 HD13 0.04 -0.03 -0.07 -0.04 0.93 0.83 1o6uE1 LEU 121 HD23 0.10 0.01 -0.05 -0.04 0.89 0.91 1o6uE1 ARG 122 H -0.04 0.35 -0.31 -0.55 8.46 7.91 1o6uE1 ARG 122 HA -0.12 0.04 0.38 -0.75 4.34 3.89 1o6uE1 ARG 122 HB2 -0.39 0.05 0.14 -0.04 1.90 1.66 1o6uE1 ARG 122 HB3 -0.63 -0.00 0.10 -0.04 1.80 1.22 1o6uE1 ARG 122 HG2 -1.14 0.06 -0.08 -0.04 1.67 0.46 1o6uE1 ARG 122 HG3 -0.52 0.02 0.07 -0.04 1.67 1.20 1o6uE1 ARG 122 HD2 -0.76 -0.06 -0.02 -0.04 3.22 2.34 1o6uE1 ARG 122 HD3 -2.40 -0.07 -0.05 -0.04 3.22 0.67 1o6uE1 THR 123 H 0.14 0.38 -0.31 -0.55 8.28 7.94 1o6uE1 THR 123 HA 0.39 0.04 0.38 -0.75 4.39 4.44 1o6uE1 THR 123 HB 0.12 0.11 0.13 -0.04 4.32 4.64 1o6uE1 THR 123 HG23 0.12 -0.02 -0.12 -0.04 1.22 1.16 1o6uE1 LYS 124 H 0.02 0.37 -0.24 -0.55 8.42 8.01 1o6uE1 LYS 124 HA -0.16 -0.01 0.27 -0.75 4.32 3.66 1o6uE1 LYS 124 HB2 0.01 0.21 0.17 -0.04 1.87 2.21 1o6uE1 LYS 124 HB3 -0.55 -0.06 0.10 -0.04 1.79 1.24 1o6uE1 LYS 124 HG2 -0.12 0.28 0.05 -0.04 1.46 1.62 1o6uE1 LYS 124 HG3 -0.44 -0.09 -0.01 -0.04 1.46 0.88 1o6uE1 LYS 124 HD2 -0.21 0.02 -0.08 -0.04 1.69 1.37 1o6uE1 LYS 124 HD3 -0.21 -0.06 -0.06 -0.04 1.68 1.31 1o6uE1 LYS 124 HE2 -1.20 -0.04 -0.03 -0.04 2.99 1.68 1o6uE1 LYS 124 HE3 -1.07 0.01 0.00 -0.04 2.99 1.89 1o6uE1 ARG 126 HA 0.10 -0.17 0.30 -0.75 4.34 3.82 1o6uE1 ARG 126 HB2 0.22 0.05 0.11 -0.04 1.90 2.24 1o6uE1 ARG 126 HB3 0.18 0.19 0.09 -0.04 1.80 2.22 1o6uE1 ARG 126 HG2 0.13 -0.07 -0.19 -0.04 1.67 1.51 1o6uE1 ARG 126 HG3 0.16 -0.16 -0.07 -0.04 1.67 1.56 1o6uE1 ARG 126 HD2 0.42 0.16 0.07 -0.04 3.22 3.83 1o6uE1 ARG 126 HD3 0.30 -0.10 0.00 -0.04 3.22 3.38 1o6uE1 GLU 127 H -0.02 0.58 -0.91 -0.55 8.60 7.70 1o6uE1 GLU 127 HA -0.04 -0.01 0.46 -0.75 4.29 3.94 1o6uE1 GLU 127 HB2 -0.37 0.14 0.15 -0.04 2.09 1.96 1o6uE1 GLU 127 HB3 -0.73 -0.11 0.04 -0.04 1.99 1.15 1o6uE1 GLU 127 HG2 0.10 -0.07 -0.01 -0.04 2.34 2.32 1o6uE1 GLU 127 HG3 -0.01 0.45 0.03 -0.04 2.34 2.77 1o6uE1 CYS 128 H -0.15 0.62 0.24 -0.55 8.50 8.66 1o6uE1 CYS 128 HA -0.29 0.02 0.41 -0.75 4.58 3.96 1o6uE1 CYS 128 HB2 -0.38 0.04 -0.02 -0.04 2.97 2.57 1o6uE1 CYS 128 HB3 -1.31 -0.02 -0.05 -0.04 2.97 1.55 1o6uE1 GLU 129 H -0.00 0.23 -0.28 -0.55 8.60 8.00 1o6uE1 GLU 129 HA 0.15 0.03 0.42 -0.75 4.29 4.13 1o6uE1 GLU 129 HB2 0.10 0.18 0.11 -0.04 2.09 2.44 1o6uE1 GLU 129 HB3 0.11 -0.06 -0.01 -0.04 1.99 1.99 1o6uE1 GLU 129 HG2 0.26 0.02 -0.01 -0.04 2.34 2.57 1o6uE1 GLU 129 HG3 0.16 0.02 0.04 -0.04 2.34 2.52 1o6uE1 LEU 130 H 0.02 0.60 -0.18 -0.55 8.37 8.26 1o6uE1 LEU 130 HA 0.07 -0.03 0.45 -0.75 4.35 4.08 1o6uE1 LEU 130 HB2 0.05 0.16 0.20 -0.04 1.64 2.01 1o6uE1 LEU 130 HB3 0.10 -0.07 0.03 -0.04 1.64 1.66 1o6uE1 LEU 130 HG 0.08 0.21 0.07 -0.04 1.64 1.96 1o6uE1 LEU 130 HD13 0.10 -0.01 -0.01 -0.04 0.93 0.98 1o6uE1 LEU 130 HD23 0.09 -0.03 0.02 -0.04 0.89 0.93 1o6uE1 LEU 131 H -0.03 0.57 -0.17 -0.55 8.37 8.19 1o6uE1 LEU 131 HA 0.08 0.02 0.45 -0.75 4.35 4.14 1o6uE1 LEU 131 HB2 -0.09 0.14 0.17 -0.04 1.64 1.82 1o6uE1 LEU 131 HB3 0.00 -0.05 -0.07 -0.04 1.64 1.48 1o6uE1 LEU 131 HG -0.10 0.12 0.02 -0.04 1.64 1.63 1o6uE1 LEU 131 HD13 -0.42 -0.03 -0.12 -0.04 0.93 0.32 1o6uE1 LEU 131 HD23 0.22 -0.01 -0.12 -0.04 0.89 0.93 1o6uE1 LEU 132 H 0.02 0.60 -0.11 -0.55 8.37 8.33 1o6uE1 LEU 132 HA 0.05 0.05 0.42 -0.75 4.35 4.11 1o6uE1 LEU 132 HB2 0.12 0.12 0.17 -0.04 1.64 2.02 1o6uE1 LEU 132 HB3 0.11 -0.06 -0.01 -0.04 1.64 1.63 1o6uE1 LEU 132 HG 0.11 -0.01 0.04 -0.04 1.64 1.73 1o6uE1 LEU 132 HD13 0.05 0.03 -0.04 -0.04 0.93 0.94 1o6uE1 LEU 132 HD23 0.34 -0.00 -0.01 -0.04 0.89 1.17 1o6uE1 GLN 133 H 0.03 0.56 -0.22 -0.55 8.47 8.29 1o6uE1 GLN 133 HA -0.11 -0.01 0.53 -0.75 4.36 4.01 1o6uE1 GLN 133 HB2 -0.01 0.03 0.12 -0.04 2.15 2.26 1o6uE1 GLN 133 HB3 0.01 0.14 0.17 -0.04 2.02 2.31 1o6uE1 GLN 133 HG2 -0.14 -0.00 -0.15 -0.04 2.40 2.07 1o6uE1 GLN 133 HG3 -0.33 -0.09 0.09 -0.04 2.39 2.02 1o6uE1 GLN 133 HE21 0.12 -0.02 -0.01 -0.04 6.97 7.01 1o6uE1 GLN 133 HE22 0.17 0.02 -0.02 -0.04 7.69 7.82 1o6uE1 GLU 134 H 0.04 0.50 -0.30 -0.55 8.60 8.30 1o6uE1 GLU 134 HA 0.16 -0.03 0.49 -0.75 4.29 4.15 1o6uE1 GLU 134 HB2 0.14 0.14 0.18 -0.04 2.09 2.52 1o6uE1 GLU 134 HB3 0.14 0.16 0.15 -0.04 1.99 2.40 1o6uE1 GLU 134 HG2 0.23 0.04 0.04 -0.04 2.34 2.61 1o6uE1 GLU 134 HG3 0.35 -0.04 0.01 -0.04 2.34 2.62 1o6uE1 CYS 135 H 0.04 0.42 -0.27 -0.55 8.50 8.14 1o6uE1 CYS 135 HA 0.06 0.02 0.45 -0.75 4.58 4.35 1o6uE1 CYS 135 HB2 0.03 0.19 0.19 -0.04 2.97 3.33 1o6uE1 CYS 135 HB3 0.02 0.16 -0.07 -0.04 2.97 3.04 1o6uE1 ALA 136 H -0.06 0.44 -0.18 -0.55 8.40 8.05 1o6uE1 ALA 136 HA -0.03 0.00 0.51 -0.75 4.34 4.07 1o6uE1 ALA 136 HB3 -0.12 0.04 0.15 -0.04 1.41 1.44 1o6uE1 HIS 137 H -0.12 0.50 -0.21 -0.55 8.41 8.04 1o6uE1 HIS 137 HA 0.01 -0.03 0.50 -0.75 4.63 4.37 1o6uE1 HIS 137 HB2 0.05 0.16 0.20 -0.04 3.26 3.63 1o6uE1 HIS 137 HB3 0.02 -0.08 0.05 -0.04 3.20 3.15 1o6uE1 HIS 137 HD2 0.07 -0.00 -0.04 -0.04 6.97 6.95 1o6uE1 HIS 137 HE1 0.03 -0.06 -0.01 -0.04 7.75 7.67 1o6uE1 GLN 138 H 0.08 0.67 -0.04 -0.55 8.47 8.64 1o6uE1 GLN 138 HA -0.06 -0.04 0.46 -0.75 4.36 3.97 1o6uE1 GLN 138 HB2 0.02 0.09 0.23 -0.04 2.15 2.45 1o6uE1 GLN 138 HB3 -0.05 -0.01 0.07 -0.04 2.02 1.99 1o6uE1 GLN 138 HG2 0.04 0.09 0.12 -0.04 2.40 2.61 1o6uE1 GLN 138 HG3 0.03 0.14 0.10 -0.04 2.39 2.62 1o6uE1 GLN 138 HE21 -0.62 -0.12 0.01 -0.04 6.97 6.19 1o6uE1 GLN 138 HE22 -0.28 0.39 0.13 -0.04 7.69 7.89 1o6uE1 THR 139 H 0.01 0.53 -0.29 -0.55 8.28 7.98 1o6uE1 THR 139 HA -0.02 0.25 0.46 -0.75 4.39 4.33 1o6uE1 THR 139 HB -0.01 0.27 0.25 -0.04 4.32 4.79 1o6uE1 THR 139 HG23 -0.04 -0.05 -0.24 -0.04 1.22 0.84 1o6uE1 THR 140 H 0.03 0.42 -0.15 -0.55 8.28 8.03 1o6uE1 THR 140 HA 0.01 -0.01 0.46 -0.75 4.39 4.10 1o6uE1 THR 140 HB 0.03 -0.08 0.06 -0.04 4.32 4.28 1o6uE1 THR 140 HG23 0.05 0.04 0.06 -0.04 1.22 1.33 1o6uE1 LYS 141 H 0.01 0.53 -0.11 -0.55 8.42 8.29 1o6uE1 LYS 141 HA -0.01 0.00 0.52 -0.75 4.32 4.07 1o6uE1 LYS 141 HB2 -0.02 -0.04 0.10 -0.04 1.87 1.87 1o6uE1 LYS 141 HB3 -0.05 0.11 0.17 -0.04 1.79 1.98 1o6uE1 LYS 141 HG2 -0.05 0.02 -0.17 -0.04 1.46 1.23 1o6uE1 LYS 141 HG3 -0.03 -0.08 0.06 -0.04 1.46 1.37 1o6uE1 LYS 141 HD2 -0.15 0.05 -0.02 -0.04 1.69 1.53 1o6uE1 LYS 141 HD3 -0.08 -0.06 -0.02 -0.04 1.68 1.48 1o6uE1 LYS 141 HE2 -0.06 -0.02 -0.02 -0.04 2.99 2.85 1o6uE1 LYS 141 HE3 -0.03 -0.06 -0.00 -0.04 2.99 2.85 1o6uE1 LEU 142 H -0.02 0.63 -0.07 -0.55 8.37 8.36 1o6uE1 LEU 142 HA -0.02 0.11 0.78 -0.75 4.35 4.46 1o6uE1 LEU 142 HB2 -0.02 0.10 0.07 -0.04 1.64 1.74 1o6uE1 LEU 142 HB3 -0.01 -0.08 0.07 -0.04 1.64 1.58 1o6uE1 LEU 142 HG -0.07 0.05 0.05 -0.04 1.64 1.63 1o6uE1 LEU 142 HD13 -0.04 0.01 -0.01 -0.04 0.93 0.85 1o6uE1 LEU 142 HD23 -0.05 -0.02 -0.06 -0.04 0.89 0.73 1o6uE1 GLY 143 H -0.01 0.33 -0.19 -0.55 8.43 8.02 1o6uE1 GLY 143 HA2 0.00 -0.01 0.30 -0.51 4.01 3.80 1o6uE1 GLY 143 HA3 0.00 0.02 0.49 -0.51 4.01 4.01 1o6uE1 ARG 144 H -0.01 0.37 -0.06 -0.55 8.46 8.20 1o6uE1 ARG 144 HA -0.01 0.01 0.62 -0.75 4.34 4.21 1o6uE1 ARG 144 HB2 0.00 -0.03 -0.01 -0.04 1.90 1.82 1o6uE1 ARG 144 HB3 0.01 0.06 -0.14 -0.04 1.80 1.69 1o6uE1 ARG 144 HG2 -0.00 0.04 -0.33 -0.04 1.67 1.33 1o6uE1 ARG 144 HG3 -0.01 0.04 -0.24 -0.04 1.67 1.42 1o6uE1 ARG 144 HD2 0.01 -0.03 -0.08 -0.04 3.22 3.09 1o6uE1 ARG 144 HD3 0.01 -0.04 -0.09 -0.04 3.22 3.06 1o6uE1 LYS 145 H -0.07 0.06 0.10 -0.55 8.42 7.95 1o6uE1 LYS 145 HA -0.15 0.05 0.44 -0.75 4.32 3.91 1o6uE1 LYS 145 HB2 -0.50 -0.06 0.10 -0.04 1.87 1.37 1o6uE1 LYS 145 HB3 -0.38 -0.02 0.11 -0.04 1.79 1.46 1o6uE1 LYS 145 HG2 -1.51 -0.10 -0.08 -0.04 1.46 -0.27 1o6uE1 LYS 145 HG3 -0.35 0.07 -0.39 -0.04 1.46 0.75 1o6uE1 LYS 145 HD2 -0.22 0.09 0.01 -0.04 1.69 1.53 1o6uE1 LYS 145 HD3 -0.45 -0.09 -0.01 -0.04 1.68 1.09 1o6uE1 LYS 145 HE2 -0.27 -0.16 -0.07 -0.04 2.99 2.46 1o6uE1 LYS 145 HE3 -0.13 0.14 -0.14 -0.04 2.99 2.82 1o6uE1 VAL 146 H -0.08 0.26 0.25 -0.55 8.24 8.12 1o6uE1 VAL 146 HA -0.02 0.10 0.80 -0.75 4.13 4.25 1o6uE1 VAL 146 HB -0.01 0.08 0.16 -0.04 2.12 2.31 1o6uE1 VAL 146 HG13 0.03 0.01 -0.08 -0.04 0.97 0.90 1o6uE1 VAL 146 HG23 -0.01 0.06 -0.20 -0.04 0.95 0.76 1o6uE1 GLU 147 H -0.00 0.08 0.12 -0.55 8.60 8.24 1o6uE1 GLU 147 HA 0.01 0.17 0.68 -0.75 4.29 4.39 1o6uE1 GLU 147 HB2 0.01 0.08 0.15 -0.04 2.09 2.28 1o6uE1 GLU 147 HB3 -0.02 -0.02 -0.14 -0.04 1.99 1.77 1o6uE1 GLU 147 HG2 -0.03 -0.09 -0.23 -0.04 2.34 1.95 1o6uE1 GLU 147 HG3 0.01 0.10 -0.17 -0.04 2.34 2.23 1o6uE1 THR 148 H 0.02 0.02 0.17 -0.55 8.28 7.95 1o6uE1 THR 148 HA 0.02 0.48 1.05 -0.75 4.39 5.17 1o6uE1 THR 148 HB 0.01 -0.01 -0.10 -0.04 4.32 4.18 1o6uE1 THR 148 HG23 -0.01 0.00 -0.27 -0.04 1.22 0.91 1o6uE1 ILE 149 H 0.03 0.48 0.35 -0.55 8.25 8.56 1o6uE1 ILE 149 HA 0.07 0.25 1.03 -0.75 4.18 4.77 1o6uE1 ILE 149 HB 0.08 0.09 -0.07 -0.04 1.89 1.95 1o6uE1 ILE 149 HG12 0.06 0.17 -0.02 -0.04 1.49 1.66 1o6uE1 ILE 149 HG13 0.03 -0.13 -0.12 -0.04 1.21 0.95 1o6uE1 ILE 149 HG23 0.06 -0.00 -0.27 -0.04 0.93 0.68 1o6uE1 ILE 149 HD13 -0.00 -0.01 -0.16 -0.04 0.88 0.68 1o6uE1 THR 150 H 0.06 0.71 0.29 -0.55 8.28 8.80 1o6uE1 THR 150 HA -0.04 0.12 1.00 -0.75 4.39 4.71 1o6uE1 THR 150 HB 0.06 0.07 0.09 -0.04 4.32 4.50 1o6uE1 THR 150 HG23 0.06 -0.01 -0.20 -0.04 1.22 1.02 1o6uE1 ILE 151 H -0.08 0.67 0.45 -0.55 8.25 8.74 1o6uE1 ILE 151 HA 0.04 0.34 1.22 -0.75 4.18 5.02 1o6uE1 ILE 151 HB 0.02 -0.06 0.14 -0.04 1.89 1.95 1o6uE1 ILE 151 HG12 0.18 0.07 -0.15 -0.04 1.49 1.54 1o6uE1 ILE 151 HG13 0.03 -0.03 -0.35 -0.04 1.21 0.82 1o6uE1 ILE 151 HG23 0.23 -0.01 -0.28 -0.04 0.93 0.83 1o6uE1 ILE 151 HD13 -0.03 -0.01 -0.13 -0.04 0.88 0.67 1o6uE1 ILE 152 H -0.25 0.77 0.36 -0.55 8.25 8.58 1o6uE1 ILE 152 HA -0.00 0.12 0.95 -0.75 4.18 4.49 1o6uE1 ILE 152 HB -1.10 0.04 0.17 -0.04 1.89 0.97 1o6uE1 ILE 152 HG12 0.02 -0.02 -0.04 -0.04 1.49 1.41 1o6uE1 ILE 152 HG13 -0.22 -0.00 -0.27 -0.04 1.21 0.67 1o6uE1 ILE 152 HG23 -0.27 -0.02 -0.10 -0.04 0.93 0.49 1o6uE1 ILE 152 HD13 -0.31 0.01 -0.08 -0.04 0.88 0.46 1o6uE1 TYR 153 H 0.10 0.86 0.25 -0.55 8.29 8.95 1o6uE1 TYR 153 HA -0.05 0.12 0.90 -0.75 4.56 4.78 1o6uE1 TYR 153 HB2 -0.00 0.02 -0.11 -0.04 3.06 2.93 1o6uE1 TYR 153 HB3 -0.02 -0.09 0.14 -0.04 2.98 2.97 1o6uE1 TYR 153 HD2 0.05 -0.03 -0.20 -0.04 7.15 6.93 1o6uE1 TYR 153 HE2 0.15 -0.00 -0.14 -0.04 6.85 6.82 1o6uE1 ASP 154 H -0.20 0.77 0.31 -0.55 8.40 8.73 1o6uE1 ASP 154 HA -0.12 0.10 0.72 -0.75 4.63 4.56 1o6uE1 ASP 154 HB2 0.03 0.05 0.10 -0.04 2.71 2.85 1o6uE1 ASP 154 HB3 -0.05 -0.00 0.36 -0.04 2.70 2.97 1o6uE1 CYS 155 H -0.09 0.68 0.29 -0.55 8.50 8.83 1o6uE1 CYS 155 HA -0.02 0.08 0.75 -0.75 4.58 4.63 1o6uE1 CYS 155 HB2 -0.05 0.09 -0.11 -0.04 2.97 2.87 1o6uE1 CYS 155 HB3 0.07 -0.10 0.14 -0.04 2.97 3.04 1o6uE1 GLU 156 H -0.07 0.06 -0.17 -0.55 8.60 7.87 1o6uE1 GLU 156 HA -0.02 0.15 0.55 -0.75 4.29 4.21 1o6uE1 GLU 156 HB2 -0.06 0.03 0.12 -0.04 2.09 2.14 1o6uE1 GLU 156 HB3 -0.03 -0.02 0.08 -0.04 1.99 1.99 1o6uE1 GLU 156 HG2 0.01 -0.01 -0.30 -0.04 2.34 1.99 1o6uE1 GLU 156 HG3 0.00 -0.03 0.01 -0.04 2.34 2.28 1o6uE1 GLY 157 H 0.02 0.15 0.24 -0.55 8.43 8.29 1o6uE1 GLY 157 HA2 0.05 -0.03 0.32 -0.51 4.01 3.84 1o6uE1 GLY 157 HA3 0.05 0.11 0.60 -0.51 4.01 4.26 1o6uE1 LEU 158 H 0.02 0.51 -0.12 -0.55 8.37 8.23 1o6uE1 LEU 158 HA -0.11 0.05 0.38 -0.75 4.35 3.92 1o6uE1 LEU 158 HB2 -0.01 0.03 0.07 -0.04 1.64 1.69 1o6uE1 LEU 158 HB3 0.07 0.00 0.18 -0.04 1.64 1.85 1o6uE1 LEU 158 HG 0.11 -0.07 -0.36 -0.04 1.64 1.28 1o6uE1 LEU 158 HD13 -0.04 -0.01 -0.06 -0.04 0.93 0.78 1o6uE1 LEU 158 HD23 0.18 -0.01 -0.12 -0.04 0.89 0.90 1o6uE1 GLY 159 H 0.81 0.17 0.21 -0.55 8.43 9.08 1o6uE1 GLY 159 HA2 0.11 0.18 0.72 -0.51 4.01 4.50 1o6uE1 GLY 159 HA3 0.10 0.04 0.30 -0.51 4.01 3.94 1o6uE1 LEU 160 H 0.03 0.20 0.13 -0.55 8.37 8.19 1o6uE1 LEU 160 HA 0.03 0.12 0.34 -0.75 4.35 4.08 1o6uE1 LEU 160 HB2 -0.02 0.01 0.08 -0.04 1.64 1.67 1o6uE1 LEU 160 HB3 -0.03 0.03 -0.02 -0.04 1.64 1.57 1o6uE1 LEU 160 HG 0.03 -0.02 0.07 -0.04 1.64 1.68 1o6uE1 LEU 160 HD13 0.02 0.01 -0.06 -0.04 0.93 0.86 1o6uE1 LEU 160 HD23 0.02 0.01 -0.09 -0.04 0.89 0.79 1o6uE1 LYS 161 H -0.09 0.11 -0.21 -0.55 8.42 7.68 1o6uE1 LYS 161 HA -0.11 0.07 0.37 -0.75 4.32 3.90 1o6uE1 LYS 161 HB2 -0.23 -0.00 0.09 -0.04 1.87 1.68 1o6uE1 LYS 161 HB3 -0.16 -0.01 0.09 -0.04 1.79 1.67 1o6uE1 LYS 161 HG2 -0.49 -0.10 -0.03 -0.04 1.46 0.80 1o6uE1 LYS 161 HG3 -0.66 0.07 -0.22 -0.04 1.46 0.61 1o6uE1 LYS 161 HD2 -0.21 -0.06 0.01 -0.04 1.69 1.39 1o6uE1 LYS 161 HD3 -0.16 -0.05 0.02 -0.04 1.68 1.45 1o6uE1 LYS 161 HE2 -0.09 -0.04 0.01 -0.04 2.99 2.83 1o6uE1 LYS 161 HE3 -0.23 0.10 0.05 -0.04 2.99 2.87 1o6uE1 HIS 162 H -0.07 0.33 -0.40 -0.55 8.41 7.72 1o6uE1 HIS 162 HA 0.04 0.06 0.48 -0.75 4.63 4.45 1o6uE1 HIS 162 HB2 0.03 0.15 0.05 -0.04 3.26 3.45 1o6uE1 HIS 162 HB3 0.02 0.03 0.05 -0.04 3.20 3.25 1o6uE1 HIS 162 HD2 -0.02 -0.06 -0.00 -0.04 6.97 6.84 1o6uE1 HIS 162 HE1 -0.00 0.30 0.13 -0.04 7.75 8.13 1o6uE1 LEU 163 H 0.07 0.43 -0.42 -0.55 8.37 7.90 1o6uE1 LEU 163 HA 0.08 0.16 0.52 -0.75 4.35 4.36 1o6uE1 LEU 163 HB2 0.02 0.08 -0.00 -0.04 1.64 1.70 1o6uE1 LEU 163 HB3 0.02 -0.03 0.04 -0.04 1.64 1.63 1o6uE1 LEU 163 HG 0.06 0.00 -0.07 -0.04 1.64 1.60 1o6uE1 LEU 163 HD13 0.02 -0.02 -0.12 -0.04 0.93 0.78 1o6uE1 LEU 163 HD23 0.06 0.01 -0.20 -0.04 0.89 0.72 1o6uE1 TRP 164 H 0.20 0.26 -0.44 -0.55 7.97 7.44 1o6uE1 TRP 164 HA -0.11 -0.01 0.34 -0.75 4.62 4.08 1o6uE1 TRP 164 HB2 -0.12 0.10 0.11 -0.04 3.23 3.28 1o6uE1 TRP 164 HB3 -0.09 -0.03 0.06 -0.04 3.23 3.13 1o6uE1 TRP 164 HD1 -0.12 0.01 0.02 -0.04 7.22 7.10 1o6uE1 TRP 164 HE1 -0.02 0.07 -0.04 -0.04 10.20 10.16 1o6uE1 TRP 164 HE3 -0.13 -0.01 -0.14 -0.04 7.59 7.27 1o6uE1 TRP 164 HZ2 0.15 0.03 -0.06 -0.04 7.44 7.52 1o6uE1 TRP 164 HZ3 -0.22 0.11 -0.31 -0.04 7.13 6.67 1o6uE1 TRP 164 HH2 -0.06 0.06 -0.12 -0.04 7.19 7.02 1o6uE1 LYS 165 H -0.17 0.11 0.18 -0.55 8.42 7.98 1o6uE1 LYS 165 HA -0.16 0.12 0.32 -0.75 4.32 3.85 1o6uE1 LYS 165 HB2 -0.14 0.03 0.12 -0.04 1.87 1.84 1o6uE1 LYS 165 HB3 -0.32 0.02 0.09 -0.04 1.79 1.54 1o6uE1 LYS 165 HG2 -0.17 -0.03 -0.16 -0.04 1.46 1.05 1o6uE1 LYS 165 HG3 -0.09 0.03 0.02 -0.04 1.46 1.37 1o6uE1 LYS 165 HD2 -0.05 0.01 -0.05 -0.04 1.69 1.56 1o6uE1 LYS 165 HD3 -0.12 0.01 -0.04 -0.04 1.68 1.49 1o6uE1 LYS 165 HE2 -0.07 -0.01 -0.05 -0.04 2.99 2.82 1o6uE1 LYS 165 HE3 -0.03 0.02 -0.04 -0.04 2.99 2.90 1o6uE1 PRO 166 HA -0.41 0.07 0.42 -0.51 4.44 4.01 1o6uE1 PRO 166 HB2 -2.02 0.01 -0.07 -0.04 2.28 0.16 1o6uE1 PRO 166 HB3 -0.57 0.06 0.04 -0.04 2.02 1.51 1o6uE1 PRO 166 HG2 -0.79 0.05 -0.01 -0.04 2.03 1.23 1o6uE1 PRO 166 HG3 -0.50 0.08 0.02 -0.04 2.03 1.59 1o6uE1 PRO 166 HD2 -2.81 0.05 -0.11 -0.04 3.68 0.77 1o6uE1 PRO 166 HD3 -0.74 0.09 0.09 -0.04 3.65 3.05 1o6uE1 ALA 167 H -0.62 0.29 -0.44 -0.55 8.40 7.08 1o6uE1 ALA 167 HA -0.05 0.05 0.48 -0.75 4.34 4.06 1o6uE1 ALA 167 HB3 0.24 0.04 -0.02 -0.04 1.41 1.63 1o6uE1 VAL 168 H -0.07 0.45 -0.10 -0.55 8.24 7.97 1o6uE1 VAL 168 HA 0.12 0.06 0.41 -0.75 4.13 3.96 1o6uE1 VAL 168 HB 0.00 0.04 0.05 -0.04 2.12 2.17 1o6uE1 VAL 168 HG13 0.14 -0.01 -0.13 -0.04 0.97 0.93 1o6uE1 VAL 168 HG23 0.05 0.05 -0.10 -0.04 0.95 0.91 1o6uE1 GLU 169 H -0.10 0.53 -0.18 -0.55 8.60 8.30 1o6uE1 GLU 169 HA -0.06 0.07 0.42 -0.75 4.29 3.97 1o6uE1 GLU 169 HB2 -0.13 0.06 0.06 -0.04 2.09 2.03 1o6uE1 GLU 169 HB3 -0.07 -0.03 -0.00 -0.04 1.99 1.84 1o6uE1 GLU 169 HG2 -0.01 -0.01 -0.02 -0.04 2.34 2.26 1o6uE1 GLU 169 HG3 -0.11 0.31 0.02 -0.04 2.34 2.52 1o6uE1 ALA 170 H -0.07 0.42 -0.22 -0.55 8.40 7.98 1o6uE1 ALA 170 HA -0.03 0.00 0.45 -0.75 4.34 4.01 1o6uE1 ALA 170 HB3 0.00 0.03 0.12 -0.04 1.41 1.51 1o6uE1 TYR 171 H 0.12 0.53 -0.24 -0.55 8.29 8.14 1o6uE1 TYR 171 HA 0.07 0.02 0.39 -0.75 4.56 4.28 1o6uE1 TYR 171 HB2 0.04 0.05 0.10 -0.04 3.06 3.21 1o6uE1 TYR 171 HB3 0.01 0.13 0.11 -0.04 2.98 3.19 1o6uE1 TYR 171 HD2 0.11 0.00 -0.02 -0.04 7.15 7.20 1o6uE1 TYR 171 HE2 0.18 0.01 -0.08 -0.04 6.85 6.92 1o6uE1 GLY 172 H -0.19 0.47 -0.24 -0.55 8.43 7.93 1o6uE1 GLY 172 HA2 -1.01 0.01 0.38 -0.51 4.01 2.88 1o6uE1 GLY 172 HA3 -1.52 0.05 0.30 -0.51 4.01 2.33 1o6uE1 GLU 173 H -0.23 0.41 -0.31 -0.55 8.60 7.91 1o6uE1 GLU 173 HA -0.18 -0.01 0.41 -0.75 4.29 3.75 1o6uE1 GLU 173 HB2 -0.04 0.19 0.16 -0.04 2.09 2.36 1o6uE1 GLU 173 HB3 -0.02 -0.04 -0.02 -0.04 1.99 1.86 1o6uE1 GLU 173 HG2 -0.08 -0.05 0.02 -0.04 2.34 2.19 1o6uE1 GLU 173 HG3 -0.11 0.18 0.06 -0.04 2.34 2.42 1o6uE1 PHE 174 H 0.04 0.33 -0.20 -0.55 8.34 7.97 1o6uE1 PHE 174 HA -0.02 0.03 0.47 -0.75 4.62 4.34 1o6uE1 PHE 174 HB2 0.02 -0.07 0.09 -0.04 3.15 3.15 1o6uE1 PHE 174 HB3 -0.06 0.10 0.20 -0.04 3.06 3.26 1o6uE1 PHE 174 HD2 -0.11 0.00 0.02 -0.04 7.28 7.15 1o6uE1 PHE 174 HE2 -0.07 -0.02 -0.04 -0.04 7.38 7.20 1o6uE1 PHE 174 HZ -0.34 -0.02 -0.06 -0.04 7.32 6.86 1o6uE1 LEU 175 H -0.38 0.51 -0.07 -0.55 8.37 7.88 1o6uE1 LEU 175 HA -0.77 -0.03 0.34 -0.75 4.35 3.15 1o6uE1 LEU 175 HB2 -0.38 0.07 0.14 -0.04 1.64 1.43 1o6uE1 LEU 175 HB3 -0.23 -0.01 -0.08 -0.04 1.64 1.28 1o6uE1 LEU 175 HG -0.81 0.20 0.00 -0.04 1.64 1.00 1o6uE1 LEU 175 HD13 -0.31 -0.03 -0.11 -0.04 0.93 0.44 1o6uE1 LEU 175 HD23 -0.49 -0.02 -0.07 -0.04 0.89 0.26 1o6uE1 CYS 176 H -0.27 0.54 -0.19 -0.55 8.50 8.03 1o6uE1 CYS 176 HA -0.08 0.04 0.33 -0.75 4.58 4.12 1o6uE1 CYS 176 HB2 -0.12 0.12 0.15 -0.04 2.97 3.08 1o6uE1 CYS 176 HB3 -0.06 -0.11 0.12 -0.04 2.97 2.88 1o6uE1 PHE 178 HA 0.01 -0.11 0.31 -0.75 4.62 4.08 1o6uE1 PHE 178 HB2 -0.73 0.01 0.07 -0.04 3.15 2.46 1o6uE1 PHE 178 HB3 -0.51 0.13 0.10 -0.04 3.06 2.74 1o6uE1 PHE 178 HD2 -0.22 0.01 -0.10 -0.04 7.28 6.93 1o6uE1 PHE 178 HE2 -0.16 -0.05 -0.06 -0.04 7.38 7.07 1o6uE1 PHE 178 HZ -0.10 -0.08 -0.08 -0.04 7.32 7.02 1o6uE1 GLU 179 H -0.08 0.74 -0.53 -0.55 8.60 8.18 1o6uE1 GLU 179 HA -0.27 -0.06 0.39 -0.75 4.29 3.60 1o6uE1 GLU 179 HB2 -0.09 0.14 0.14 -0.04 2.09 2.24 1o6uE1 GLU 179 HB3 -0.10 -0.15 0.05 -0.04 1.99 1.75 1o6uE1 GLU 179 HG2 0.02 0.23 0.09 -0.04 2.34 2.64 1o6uE1 GLU 179 HG3 -0.03 0.24 0.13 -0.04 2.34 2.63 1o6uE1 GLU 180 H -0.17 0.61 0.23 -0.55 8.60 8.73 1o6uE1 GLU 180 HA -0.10 0.08 0.59 -0.75 4.29 4.10 1o6uE1 GLU 180 HB2 -0.17 0.05 0.00 -0.04 2.09 1.93 1o6uE1 GLU 180 HB3 -0.08 -0.09 0.01 -0.04 1.99 1.78 1o6uE1 GLU 180 HG2 -0.06 -0.08 -0.01 -0.04 2.34 2.16 1o6uE1 GLU 180 HG3 -0.09 0.26 0.10 -0.04 2.34 2.58 1o6uE1 ASN 181 H -0.30 0.16 -0.27 -0.55 8.53 7.57 1o6uE1 ASN 181 HA -0.28 0.19 0.97 -0.75 4.76 4.89 1o6uE1 ASN 181 HB2 -0.40 0.07 -0.05 -0.04 2.88 2.47 1o6uE1 ASN 181 HB3 -0.52 -0.03 0.02 -0.04 2.79 2.22 1o6uE1 ASN 181 HD21 -1.12 -0.05 -0.17 -0.04 7.03 5.65 1o6uE1 ASN 181 HD22 -0.64 0.13 -0.19 -0.04 7.74 7.01 1o6uE1 TYR 182 H -0.49 0.51 -0.09 -0.55 8.29 7.67 1o6uE1 TYR 182 HA -0.47 0.18 0.79 -0.75 4.56 4.30 1o6uE1 TYR 182 HB2 -1.16 0.08 0.15 -0.04 3.06 2.09 1o6uE1 TYR 182 HB3 -0.47 -0.07 0.12 -0.04 2.98 2.51 1o6uE1 TYR 182 HD2 -0.16 0.03 -0.05 -0.04 7.15 6.93 1o6uE1 TYR 182 HE2 0.09 -0.01 -0.14 -0.04 6.85 6.75 1o6uE1 PRO 183 HA -0.43 -0.03 0.54 -0.51 4.44 4.00 1o6uE1 PRO 183 HB2 -0.54 0.03 -0.01 -0.04 2.28 1.72 1o6uE1 PRO 183 HB3 -0.49 0.14 0.09 -0.04 2.02 1.72 1o6uE1 PRO 183 HG2 -1.45 -0.03 -0.16 -0.04 2.03 0.34 1o6uE1 PRO 183 HG3 -1.78 0.04 -0.12 -0.04 2.03 0.13 1o6uE1 PRO 183 HD2 -1.25 0.19 -0.29 -0.04 3.68 2.29 1o6uE1 PRO 183 HD3 -0.85 0.13 -0.44 -0.04 3.65 2.45 1o6uE1 GLU 184 H -0.25 0.06 0.18 -0.55 8.60 8.04 1o6uE1 GLU 184 HA -0.14 -0.00 0.32 -0.75 4.29 3.71 1o6uE1 GLU 184 HB2 -0.30 0.19 -0.10 -0.04 2.09 1.84 1o6uE1 GLU 184 HB3 -0.15 -0.02 0.18 -0.04 1.99 1.95 1o6uE1 GLU 184 HG2 -0.27 -0.06 -0.07 -0.04 2.34 1.90 1o6uE1 GLU 184 HG3 -0.25 0.03 0.06 -0.04 2.34 2.14 1o6uE1 THR 185 H -0.16 0.05 -0.21 -0.55 8.28 7.41 1o6uE1 THR 185 HA -0.05 0.32 0.89 -0.75 4.39 4.80 1o6uE1 THR 185 HB -0.09 0.10 0.01 -0.04 4.32 4.29 1o6uE1 THR 185 HG23 0.06 -0.02 -0.09 -0.04 1.22 1.13 1o6uE1 LEU 186 H 0.04 -0.03 0.05 -0.55 8.37 7.87 1o6uE1 LEU 186 HA 0.05 0.11 0.61 -0.75 4.35 4.38 1o6uE1 LEU 186 HB2 0.19 0.02 0.02 -0.04 1.64 1.82 1o6uE1 LEU 186 HB3 0.06 -0.06 0.04 -0.04 1.64 1.64 1o6uE1 LEU 186 HG -0.04 0.02 -0.46 -0.04 1.64 1.13 1o6uE1 LEU 186 HD13 -0.04 0.03 -0.10 -0.04 0.93 0.78 1o6uE1 LEU 186 HD23 -0.03 -0.01 -0.15 -0.04 0.89 0.66 1o6uE1 LYS 187 H -0.02 0.65 0.36 -0.55 8.42 8.86 1o6uE1 LYS 187 HA -0.03 0.11 0.66 -0.75 4.32 4.30 1o6uE1 LYS 187 HB2 -0.00 -0.08 -0.10 -0.04 1.87 1.64 1o6uE1 LYS 187 HB3 -0.03 0.09 -0.07 -0.04 1.79 1.74 1o6uE1 LYS 187 HG2 -0.04 0.02 -0.26 -0.04 1.46 1.14 1o6uE1 LYS 187 HG3 -0.01 -0.02 -0.05 -0.04 1.46 1.34 1o6uE1 LYS 187 HD2 0.03 -0.01 -0.17 -0.04 1.69 1.49 1o6uE1 LYS 187 HD3 0.02 -0.00 -0.17 -0.04 1.68 1.48 1o6uE1 LYS 187 HE2 0.04 0.02 -0.08 -0.04 2.99 2.93 1o6uE1 LYS 187 HE3 0.04 0.01 -0.07 -0.04 2.99 2.93 1o6uE1 ARG 188 H -0.11 0.31 0.32 -0.55 8.46 8.43 1o6uE1 ARG 188 HA -0.21 0.26 0.60 -0.75 4.34 4.23 1o6uE1 ARG 188 HB2 -0.63 0.04 0.04 -0.04 1.90 1.31 1o6uE1 ARG 188 HB3 -0.25 0.13 -0.08 -0.04 1.80 1.56 1o6uE1 ARG 188 HG2 -0.18 -0.11 -0.06 -0.04 1.67 1.28 1o6uE1 ARG 188 HG3 -0.54 -0.04 -0.12 -0.04 1.67 0.94 1o6uE1 ARG 188 HD2 -0.42 0.02 -0.09 -0.04 3.22 2.69 1o6uE1 ARG 188 HD3 -0.15 0.04 -0.12 -0.04 3.22 2.95 1o6uE1 LEU 189 H -0.31 0.77 0.28 -0.55 8.37 8.57 1o6uE1 LEU 189 HA -0.18 0.21 1.05 -0.75 4.35 4.68 1o6uE1 LEU 189 HB2 -0.10 -0.02 -0.17 -0.04 1.64 1.31 1o6uE1 LEU 189 HB3 -0.12 0.01 0.04 -0.04 1.64 1.53 1o6uE1 LEU 189 HG 0.03 0.02 -0.13 -0.04 1.64 1.52 1o6uE1 LEU 189 HD13 -0.05 -0.00 -0.13 -0.04 0.93 0.71 1o6uE1 LEU 189 HD23 -0.11 -0.03 -0.37 -0.04 0.89 0.34 1o6uE1 PHE 190 H -0.04 0.74 0.34 -0.55 8.34 8.82 1o6uE1 PHE 190 HA -0.06 0.19 0.91 -0.75 4.62 4.90 1o6uE1 PHE 190 HB2 -0.05 -0.03 0.22 -0.04 3.15 3.25 1o6uE1 PHE 190 HB3 -0.01 -0.03 -0.03 -0.04 3.06 2.95 1o6uE1 PHE 190 HD2 -0.05 0.04 -0.07 -0.04 7.28 7.16 1o6uE1 PHE 190 HE2 -0.16 0.01 -0.11 -0.04 7.38 7.08 1o6uE1 PHE 190 HZ -1.09 0.00 -0.10 -0.04 7.32 6.09 1o6uE1 VAL 191 H 0.01 0.29 0.25 -0.55 8.24 8.24 1o6uE1 VAL 191 HA 0.02 0.24 0.90 -0.75 4.13 4.53 1o6uE1 VAL 191 HB -0.27 -0.00 0.25 -0.04 2.12 2.05 1o6uE1 VAL 191 HG13 -0.47 -0.02 -0.08 -0.04 0.97 0.36 1o6uE1 VAL 191 HG23 -0.10 0.02 -0.03 -0.04 0.95 0.80 1o6uE1 VAL 192 H -0.13 0.65 0.31 -0.55 8.24 8.53 1o6uE1 VAL 192 HA -0.31 0.22 1.07 -0.75 4.13 4.36 1o6uE1 VAL 192 HB -1.42 -0.03 0.01 -0.04 2.12 0.65 1o6uE1 VAL 192 HG13 -0.04 0.05 -0.27 -0.04 0.97 0.66 1o6uE1 VAL 192 HG23 -0.47 0.02 -0.15 -0.04 0.95 0.31 1o6uE1 LYS 193 H -0.49 0.25 0.13 -0.55 8.42 7.75 1o6uE1 LYS 193 HA -0.18 0.09 0.27 -0.75 4.32 3.75 1o6uE1 LYS 193 HB2 -0.29 0.03 -0.07 -0.04 1.87 1.50 1o6uE1 LYS 193 HB3 -0.13 -0.05 0.18 -0.04 1.79 1.75 1o6uE1 LYS 193 HG2 -0.11 0.05 0.03 -0.04 1.46 1.38 1o6uE1 LYS 193 HG3 -1.06 -0.03 -0.12 -0.04 1.46 0.21 1o6uE1 LYS 193 HD2 -0.04 -0.04 0.01 -0.04 1.69 1.57 1o6uE1 LYS 193 HD3 0.12 0.06 -0.02 -0.04 1.68 1.80 1o6uE1 LYS 193 HE2 -0.58 0.05 -0.09 -0.04 2.99 2.33 1o6uE1 LYS 193 HE3 -0.23 -0.11 -0.06 -0.04 2.99 2.56 1o6uE1 ALA 194 H -0.22 0.13 -0.30 -0.55 8.40 7.46 1o6uE1 ALA 194 HA -0.09 0.04 0.36 -0.75 4.34 3.89 1o6uE1 ALA 194 HB3 -0.44 0.02 -0.02 -0.04 1.41 0.94 1o6uE1 PRO 195 HA 0.03 0.17 0.58 -0.51 4.44 4.71 1o6uE1 PRO 195 HB2 0.06 -0.12 0.18 -0.04 2.28 2.36 1o6uE1 PRO 195 HB3 0.04 0.04 0.16 -0.04 2.02 2.22 1o6uE1 PRO 195 HG2 0.11 -0.21 -0.06 -0.04 2.03 1.82 1o6uE1 PRO 195 HG3 0.08 0.21 0.16 -0.04 2.03 2.43 1o6uE1 PRO 195 HD2 0.13 0.01 0.19 -0.04 3.68 3.98 1o6uE1 PRO 195 HD3 0.03 0.41 0.24 -0.04 3.65 4.29 1o6uE1 LYS 196 H 0.06 0.13 0.15 -0.55 8.42 8.20 1o6uE1 LYS 196 HA 0.07 0.20 0.36 -0.75 4.32 4.20 1o6uE1 LYS 196 HB2 0.06 0.05 0.07 -0.04 1.87 2.01 1o6uE1 LYS 196 HB3 0.05 0.04 0.13 -0.04 1.79 1.97 1o6uE1 LYS 196 HG2 0.06 -0.15 0.08 -0.04 1.46 1.41 1o6uE1 LYS 196 HG3 0.05 0.02 -0.04 -0.04 1.46 1.45 1o6uE1 LYS 196 HD2 0.04 -0.01 0.04 -0.04 1.69 1.72 1o6uE1 LYS 196 HD3 0.04 0.05 0.05 -0.04 1.68 1.79 1o6uE1 LYS 196 HE2 0.05 -0.04 0.12 -0.04 2.99 3.08 1o6uE1 LYS 196 HE3 0.04 0.03 0.07 -0.04 2.99 3.08 1o6uE1 LEU 197 H 0.09 0.05 -0.32 -0.55 8.37 7.64 1o6uE1 LEU 197 HA 0.07 0.14 0.40 -0.75 4.35 4.21 1o6uE1 LEU 197 HB2 0.07 -0.03 -0.01 -0.04 1.64 1.62 1o6uE1 LEU 197 HB3 0.09 0.08 -0.14 -0.04 1.64 1.64 1o6uE1 LEU 197 HG 0.06 -0.06 -0.09 -0.04 1.64 1.51 1o6uE1 LEU 197 HD13 0.04 0.01 -0.07 -0.04 0.93 0.87 1o6uE1 LEU 197 HD23 0.08 -0.00 -0.34 -0.04 0.89 0.58 1o6uE1 PHE 198 H 0.22 0.50 -0.50 -0.55 8.34 8.01 1o6uE1 PHE 198 HA 0.05 -0.05 0.25 -0.75 4.62 4.12 1o6uE1 PHE 198 HB2 0.02 -0.00 0.03 -0.04 3.15 3.15 1o6uE1 PHE 198 HB3 0.01 0.17 -0.01 -0.04 3.06 3.19 1o6uE1 PHE 198 HD2 -0.00 0.03 -0.10 -0.04 7.28 7.16 1o6uE1 PHE 198 HE2 -0.14 0.03 -0.08 -0.04 7.38 7.15 1o6uE1 PHE 198 HZ -0.29 0.05 -0.07 -0.04 7.32 6.98 1o6uE1 PRO 199 HA -0.12 0.03 0.40 -0.51 4.44 4.24 1o6uE1 PRO 199 HB2 0.02 0.05 0.02 -0.04 2.28 2.33 1o6uE1 PRO 199 HB3 0.02 0.06 0.06 -0.04 2.02 2.12 1o6uE1 PRO 199 HG2 0.08 0.13 -0.03 -0.04 2.03 2.16 1o6uE1 PRO 199 HG3 0.14 0.08 -0.23 -0.04 2.03 1.98 1o6uE1 PRO 199 HD2 0.10 0.35 -0.12 -0.04 3.68 3.97 1o6uE1 PRO 199 HD3 0.26 0.16 -0.03 -0.04 3.65 3.99 1o6uE1 VAL 200 H -0.00 0.29 -0.28 -0.55 8.24 7.71 1o6uE1 VAL 200 HA -0.02 0.18 0.38 -0.75 4.13 3.92 1o6uE1 VAL 200 HB 0.02 0.06 0.03 -0.04 2.12 2.19 1o6uE1 VAL 200 HG13 0.01 -0.02 -0.27 -0.04 0.97 0.65 1o6uE1 VAL 200 HG23 0.02 0.01 -0.19 -0.04 0.95 0.74 1o6uE1 ALA 201 H -0.04 0.51 -0.10 -0.55 8.40 8.22 1o6uE1 ALA 201 HA 0.00 0.03 0.37 -0.75 4.34 3.99 1o6uE1 ALA 201 HB3 0.02 0.00 -0.04 -0.04 1.41 1.35 1o6uE1 TYR 202 H -0.28 0.79 -0.04 -0.55 8.29 8.21 1o6uE1 TYR 202 HA -0.23 0.04 0.37 -0.75 4.56 3.98 1o6uE1 TYR 202 HB2 -1.22 0.02 0.02 -0.04 3.06 1.84 1o6uE1 TYR 202 HB3 -0.52 0.02 0.08 -0.04 2.98 2.52 1o6uE1 TYR 202 HD2 -0.16 -0.03 -0.07 -0.04 7.15 6.85 1o6uE1 TYR 202 HE2 -0.06 -0.01 -0.08 -0.04 6.85 6.67 1o6uE1 ASN 203 H -0.11 0.44 -0.24 -0.55 8.53 8.08 1o6uE1 ASN 203 HA -0.26 -0.04 0.38 -0.75 4.76 4.08 1o6uE1 ASN 203 HB2 -0.06 0.08 0.22 -0.04 2.88 3.08 1o6uE1 ASN 203 HB3 -0.07 0.15 0.06 -0.04 2.79 2.89 1o6uE1 ASN 203 HD21 -0.04 -0.12 -0.11 -0.04 7.03 6.72 1o6uE1 ASN 203 HD22 -0.03 0.32 -0.08 -0.04 7.74 7.91 1o6uE1 LEU 204 H -0.10 0.32 -0.55 -0.55 8.37 7.49 1o6uE1 LEU 204 HA -0.08 0.02 0.46 -0.75 4.35 3.99 1o6uE1 LEU 204 HB2 0.00 0.25 0.13 -0.04 1.64 1.98 1o6uE1 LEU 204 HB3 0.04 -0.07 -0.02 -0.04 1.64 1.55 1o6uE1 LEU 204 HG -0.02 0.18 0.03 -0.04 1.64 1.79 1o6uE1 LEU 204 HD13 0.02 -0.03 -0.03 -0.04 0.93 0.85 1o6uE1 LEU 204 HD23 -0.01 -0.03 -0.00 -0.04 0.89 0.81 1o6uE1 ILE 205 H -0.14 0.33 -0.15 -0.55 8.25 7.74 1o6uE1 ILE 205 HA 0.18 0.18 0.90 -0.75 4.18 4.69 1o6uE1 ILE 205 HB 0.08 -0.03 0.01 -0.04 1.89 1.91 1o6uE1 ILE 205 HG12 0.13 -0.05 -0.07 -0.04 1.49 1.45 1o6uE1 ILE 205 HG13 -0.07 0.12 0.11 -0.04 1.21 1.33 1o6uE1 ILE 205 HG23 0.28 0.00 -0.12 -0.04 0.93 1.04 1o6uE1 ILE 205 HD13 -0.17 0.01 -0.28 -0.04 0.88 0.40 1o6uE1 LYS 206 H -0.42 0.38 -0.11 -0.55 8.42 7.72 1o6uE1 LYS 206 HA -0.44 -0.01 0.33 -0.75 4.32 3.45 1o6uE1 LYS 206 HB2 -0.81 0.05 0.05 -0.04 1.87 1.12 1o6uE1 LYS 206 HB3 -0.34 0.11 0.07 -0.04 1.79 1.60 1o6uE1 LYS 206 HG2 -0.18 0.01 -0.21 -0.04 1.46 1.04 1o6uE1 LYS 206 HG3 -0.22 -0.02 -0.01 -0.04 1.46 1.17 1o6uE1 LYS 206 HD2 -0.11 -0.05 -0.04 -0.04 1.69 1.45 1o6uE1 LYS 206 HD3 -0.14 0.02 -0.02 -0.04 1.68 1.50 1o6uE1 LYS 206 HE2 -0.05 0.02 -0.05 -0.04 2.99 2.87 1o6uE1 LYS 206 HE3 0.04 0.02 -0.04 -0.04 2.99 2.97 1o6uE1 PRO 207 HA -0.24 0.03 0.38 -0.51 4.44 4.11 1o6uE1 PRO 207 HB2 -0.88 0.05 -0.07 -0.04 2.28 1.34 1o6uE1 PRO 207 HB3 -0.36 -0.05 0.05 -0.04 2.02 1.62 1o6uE1 PRO 207 HG2 -0.34 0.06 0.01 -0.04 2.03 1.71 1o6uE1 PRO 207 HG3 -0.25 -0.04 0.02 -0.04 2.03 1.71 1o6uE1 PRO 207 HD2 -0.42 0.17 -0.54 -0.04 3.68 2.86 1o6uE1 PRO 207 HD3 -0.30 0.18 -0.05 -0.04 3.65 3.44 1o6uE1 PHE 208 H -0.31 0.48 -0.41 -0.55 8.34 7.55 1o6uE1 PHE 208 HA -0.10 0.08 0.59 -0.75 4.62 4.44 1o6uE1 PHE 208 HB2 -0.16 0.10 0.02 -0.04 3.15 3.07 1o6uE1 PHE 208 HB3 -0.14 -0.02 0.09 -0.04 3.06 2.94 1o6uE1 PHE 208 HD2 -0.10 0.02 0.03 -0.04 7.28 7.19 1o6uE1 PHE 208 HE2 -0.05 0.01 -0.02 -0.04 7.38 7.27 1o6uE1 PHE 208 HZ -0.05 -0.06 -0.02 -0.04 7.32 7.14 1o6uE1 LEU 209 H -0.08 0.47 -0.28 -0.55 8.37 7.93 1o6uE1 LEU 209 HA -0.02 0.13 0.85 -0.75 4.35 4.55 1o6uE1 LEU 209 HB2 -0.05 0.05 0.03 -0.04 1.64 1.64 1o6uE1 LEU 209 HB3 -0.02 -0.09 -0.02 -0.04 1.64 1.47 1o6uE1 LEU 209 HG -0.07 0.18 -0.15 -0.04 1.64 1.56 1o6uE1 LEU 209 HD13 -0.00 -0.03 -0.15 -0.04 0.93 0.71 1o6uE1 LEU 209 HD23 -0.06 0.01 -0.19 -0.04 0.89 0.61 1o6uE1 SER 210 H -0.03 0.11 0.16 -0.55 8.46 8.16 1o6uE1 SER 210 HA -0.04 0.18 0.53 -0.75 4.49 4.40 1o6uE1 SER 210 HB2 -0.06 -0.02 0.18 -0.04 3.95 4.01 1o6uE1 SER 210 HB3 -0.06 0.18 0.14 -0.04 3.93 4.15 1o6uE1 GLU 211 H -0.04 0.20 0.19 -0.55 8.60 8.41 1o6uE1 GLU 211 HA -0.02 0.11 0.41 -0.75 4.29 4.05 1o6uE1 GLU 211 HB2 -0.03 0.00 0.11 -0.04 2.09 2.14 1o6uE1 GLU 211 HB3 -0.02 0.03 0.05 -0.04 1.99 2.01 1o6uE1 GLU 211 HG2 -0.02 0.03 0.05 -0.04 2.34 2.36 1o6uE1 GLU 211 HG3 -0.03 0.02 0.11 -0.04 2.34 2.39 1o6uE1 ASP 212 H -0.04 0.06 -0.22 -0.55 8.40 7.65 1o6uE1 ASP 212 HA -0.03 0.11 0.40 -0.75 4.63 4.35 1o6uE1 ASP 212 HB2 -0.06 0.03 0.07 -0.04 2.71 2.72 1o6uE1 ASP 212 HB3 -0.06 -0.05 0.07 -0.04 2.70 2.62 1o6uE1 THR 213 H -0.02 0.05 -0.26 -0.55 8.28 7.50 1o6uE1 THR 213 HA -0.01 0.11 0.37 -0.75 4.39 4.11 1o6uE1 THR 213 HB -0.00 0.06 0.08 -0.04 4.32 4.42 1o6uE1 THR 213 HG23 -0.00 0.02 -0.16 -0.04 1.22 1.03 1o6uE1 ARG 214 H 0.00 0.48 -0.18 -0.55 8.46 8.21 1o6uE1 ARG 214 HA 0.06 0.02 0.30 -0.75 4.34 3.97 1o6uE1 ARG 214 HB2 0.01 0.04 0.09 -0.04 1.90 2.00 1o6uE1 ARG 214 HB3 0.07 -0.04 -0.02 -0.04 1.80 1.76 1o6uE1 ARG 214 HG2 0.07 -0.04 -0.05 -0.04 1.67 1.61 1o6uE1 ARG 214 HG3 0.00 0.27 -0.18 -0.04 1.67 1.73 1o6uE1 ARG 214 HD2 -0.00 -0.09 -0.08 -0.04 3.22 3.00 1o6uE1 ARG 214 HD3 0.03 -0.08 -0.05 -0.04 3.22 3.08 1o6uE1 LYS 215 H -0.01 0.43 -0.28 -0.55 8.42 8.01 1o6uE1 LYS 215 HA -0.02 0.03 0.40 -0.75 4.32 3.98 1o6uE1 LYS 215 HB2 -0.02 0.12 0.07 -0.04 1.87 2.00 1o6uE1 LYS 215 HB3 -0.02 -0.05 0.07 -0.04 1.79 1.75 1o6uE1 LYS 215 HG2 -0.01 -0.07 0.03 -0.04 1.46 1.37 1o6uE1 LYS 215 HG3 -0.01 0.09 0.10 -0.04 1.46 1.59 1o6uE1 LYS 215 HD2 -0.01 -0.11 -0.04 -0.04 1.69 1.49 1o6uE1 LYS 215 HD3 -0.02 0.01 -0.07 -0.04 1.68 1.57 1o6uE1 LYS 215 HE2 -0.01 0.06 -0.00 -0.04 2.99 2.99 1o6uE1 LYS 215 HE3 -0.01 -0.04 -0.00 -0.04 2.99 2.90 1o6uE1 LYS 216 H -0.03 0.32 -0.55 -0.55 8.42 7.60 1o6uE1 LYS 216 HA -0.08 0.12 0.69 -0.75 4.32 4.30 1o6uE1 LYS 216 HB2 -0.05 0.06 0.01 -0.04 1.87 1.85 1o6uE1 LYS 216 HB3 -0.10 -0.17 -0.08 -0.04 1.79 1.40 1o6uE1 LYS 216 HG2 -0.06 0.08 -0.02 -0.04 1.46 1.42 1o6uE1 LYS 216 HG3 -0.04 0.00 -0.07 -0.04 1.46 1.31 1o6uE1 LYS 216 HD2 -0.03 -0.13 -0.17 -0.04 1.69 1.31 1o6uE1 LYS 216 HD3 -0.04 0.02 -0.41 -0.04 1.68 1.21 1o6uE1 LYS 216 HE2 -0.04 0.00 0.01 -0.04 2.99 2.93 1o6uE1 LYS 216 HE3 -0.04 -0.09 -0.04 -0.04 2.99 2.79 1o6uE1 ILE 217 H -0.05 0.40 -0.37 -0.55 8.25 7.69 1o6uE1 ILE 217 HA -0.11 0.17 0.61 -0.75 4.18 4.09 1o6uE1 ILE 217 HB -0.06 0.15 0.12 -0.04 1.89 2.07 1o6uE1 ILE 217 HG12 -0.06 -0.05 -0.08 -0.04 1.49 1.25 1o6uE1 ILE 217 HG13 -0.03 0.20 -0.08 -0.04 1.21 1.26 1o6uE1 ILE 217 HG23 -0.11 -0.02 -0.07 -0.04 0.93 0.70 1o6uE1 ILE 217 HD13 0.11 -0.04 -0.09 -0.04 0.88 0.81 1o6uE1 VAL 219 HA -0.15 -0.15 0.42 -0.75 4.13 3.49 1o6uE1 VAL 219 HB -0.07 0.03 0.13 -0.04 2.12 2.17 1o6uE1 VAL 219 HG13 -0.28 0.01 -0.09 -0.04 0.97 0.57 1o6uE1 VAL 219 HG23 -0.13 -0.01 -0.09 -0.04 0.95 0.68 1o6uE1 LEU 220 H -0.05 0.51 0.34 -0.55 8.37 8.62 1o6uE1 LEU 220 HA 0.05 0.19 0.92 -0.75 4.35 4.76 1o6uE1 LEU 220 HB2 0.09 -0.03 0.16 -0.04 1.64 1.82 1o6uE1 LEU 220 HB3 0.15 -0.15 0.12 -0.04 1.64 1.72 1o6uE1 LEU 220 HG 0.14 -0.01 0.00 -0.04 1.64 1.74 1o6uE1 LEU 220 HD13 -0.05 -0.02 -0.03 -0.04 0.93 0.79 1o6uE1 LEU 220 HD23 0.14 0.05 -0.15 -0.04 0.89 0.88 1o6uE1 GLY 221 H 0.08 0.04 0.11 -0.55 8.43 8.12 1o6uE1 GLY 221 HA2 0.05 0.30 0.71 -0.51 4.01 4.56 1o6uE1 GLY 221 HA3 0.06 0.06 0.40 -0.51 4.01 4.03 1o6uE1 ALA 222 H 0.08 0.26 0.17 -0.55 8.40 8.36 1o6uE1 ALA 222 HA 0.21 0.09 0.43 -0.75 4.34 4.31 1o6uE1 ALA 222 HB3 0.06 0.03 0.12 -0.04 1.41 1.57 1o6uE1 ASN 223 H 0.06 0.11 -0.31 -0.55 8.53 7.85 1o6uE1 ASN 223 HA -0.10 0.19 0.73 -0.75 4.76 4.81 1o6uE1 ASN 223 HB2 -0.05 -0.01 0.16 -0.04 2.88 2.94 1o6uE1 ASN 223 HB3 -0.02 0.03 0.05 -0.04 2.79 2.82 1o6uE1 ASN 223 HD21 0.01 0.08 -0.03 -0.04 7.03 7.04 1o6uE1 ASN 223 HD22 -0.02 -0.00 0.00 -0.04 7.74 7.68 1o6uE1 TRP 224 H 0.29 0.44 -0.50 -0.55 7.97 7.65 1o6uE1 TRP 224 HA -0.05 0.01 0.29 -0.75 4.62 4.12 1o6uE1 TRP 224 HB2 -0.02 0.01 0.01 -0.04 3.23 3.19 1o6uE1 TRP 224 HB3 -0.02 0.17 0.07 -0.04 3.23 3.41 1o6uE1 TRP 224 HD1 -0.01 0.18 0.07 -0.04 7.22 7.42 1o6uE1 TRP 224 HE1 -0.00 0.00 0.03 -0.04 10.20 10.18 1o6uE1 TRP 224 HE3 0.05 -0.02 -0.27 -0.04 7.59 7.30 1o6uE1 TRP 224 HZ2 -0.04 0.00 -0.01 -0.04 7.44 7.35 1o6uE1 TRP 224 HZ3 0.34 0.09 -0.01 -0.04 7.13 7.51 1o6uE1 TRP 224 HH2 -0.10 0.14 0.04 -0.04 7.19 7.23 1o6uE1 LYS 225 H -1.06 0.13 -0.25 -0.55 8.42 6.70 1o6uE1 LYS 225 HA -0.36 0.18 0.38 -0.75 4.32 3.76 1o6uE1 LYS 225 HB2 -0.59 -0.07 0.03 -0.04 1.87 1.20 1o6uE1 LYS 225 HB3 -0.41 0.08 -0.01 -0.04 1.79 1.40 1o6uE1 LYS 225 HG2 -1.28 0.19 -0.22 -0.04 1.46 0.11 1o6uE1 LYS 225 HG3 -2.47 -0.09 -0.02 -0.04 1.46 -1.16 1o6uE1 LYS 225 HD2 -0.53 -0.05 -0.02 -0.04 1.69 1.05 1o6uE1 LYS 225 HD3 -0.40 0.04 -0.07 -0.04 1.68 1.21 1o6uE1 LYS 225 HE2 -0.37 0.09 -0.16 -0.04 2.99 2.51 1o6uE1 LYS 225 HE3 -0.50 -0.06 -0.03 -0.04 2.99 2.36 1o6uE1 GLU 226 H -0.20 0.20 -0.22 -0.55 8.60 7.83 1o6uE1 GLU 226 HA -0.10 0.07 0.41 -0.75 4.29 3.92 1o6uE1 GLU 226 HB2 -0.07 0.12 0.12 -0.04 2.09 2.22 1o6uE1 GLU 226 HB3 -0.06 -0.01 -0.02 -0.04 1.99 1.86 1o6uE1 GLU 226 HG2 -0.10 0.01 0.02 -0.04 2.34 2.24 1o6uE1 GLU 226 HG3 -0.13 -0.05 0.07 -0.04 2.34 2.19 1o6uE1 VAL 227 H -0.04 0.32 -0.17 -0.55 8.24 7.80 1o6uE1 VAL 227 HA -0.02 0.03 0.37 -0.75 4.13 3.76 1o6uE1 VAL 227 HB -0.05 0.10 0.11 -0.04 2.12 2.24 1o6uE1 VAL 227 HG13 -0.03 0.00 -0.11 -0.04 0.97 0.79 1o6uE1 VAL 227 HG23 0.03 0.01 -0.03 -0.04 0.95 0.92 1o6uE1 LEU 228 H -0.06 0.55 -0.10 -0.55 8.37 8.22 1o6uE1 LEU 228 HA -0.22 0.00 0.35 -0.75 4.35 3.73 1o6uE1 LEU 228 HB2 0.03 0.17 0.12 -0.04 1.64 1.92 1o6uE1 LEU 228 HB3 0.04 -0.02 -0.02 -0.04 1.64 1.60 1o6uE1 LEU 228 HG 0.21 0.12 -0.02 -0.04 1.64 1.91 1o6uE1 LEU 228 HD13 0.36 0.03 -0.03 -0.04 0.93 1.25 1o6uE1 LEU 228 HD23 -0.32 -0.03 -0.06 -0.04 0.89 0.44 1o6uE1 LEU 229 H -0.05 0.44 -0.29 -0.55 8.37 7.93 1o6uE1 LEU 229 HA 0.00 0.26 0.47 -0.75 4.35 4.33 1o6uE1 LEU 229 HB2 -0.05 0.06 0.11 -0.04 1.64 1.72 1o6uE1 LEU 229 HB3 -0.03 -0.10 0.15 -0.04 1.64 1.62 1o6uE1 LEU 229 HG -0.05 0.22 0.05 -0.04 1.64 1.82 1o6uE1 LEU 229 HD13 -0.06 0.00 -0.01 -0.04 0.93 0.82 1o6uE1 LEU 229 HD23 0.01 -0.01 -0.17 -0.04 0.89 0.67 1o6uE1 LYS 230 H -0.07 0.48 -0.71 -0.55 8.42 7.57 1o6uE1 LYS 230 HA -0.12 0.07 0.70 -0.75 4.32 4.22 1o6uE1 LYS 230 HB2 -0.33 0.23 0.10 -0.04 1.87 1.83 1o6uE1 LYS 230 HB3 -0.32 -0.10 0.09 -0.04 1.79 1.41 1o6uE1 LYS 230 HG2 -0.09 -0.08 -0.02 -0.04 1.46 1.23 1o6uE1 LYS 230 HG3 -0.08 0.32 0.01 -0.04 1.46 1.67 1o6uE1 LYS 230 HD2 -0.04 -0.00 0.00 -0.04 1.69 1.61 1o6uE1 LYS 230 HD3 -0.08 -0.05 -0.01 -0.04 1.68 1.51 1o6uE1 LYS 230 HE2 -0.04 -0.04 -0.05 -0.04 2.99 2.82 1o6uE1 LYS 230 HE3 -0.04 -0.01 -0.18 -0.04 2.99 2.73 1o6uE1 HIS 231 H 0.02 0.44 -0.08 -0.55 8.41 8.25 1o6uE1 HIS 231 HA 0.07 0.14 0.93 -0.75 4.63 5.02 1o6uE1 HIS 231 HB2 0.11 0.10 0.05 -0.04 3.26 3.47 1o6uE1 HIS 231 HB3 0.18 -0.10 0.07 -0.04 3.20 3.32 1o6uE1 HIS 231 HD2 -0.17 0.25 -0.08 -0.04 6.97 6.93 1o6uE1 HIS 231 HE1 0.13 -0.03 -0.06 -0.04 7.75 7.75 1o6uE1 ILE 232 H 0.08 0.44 0.15 -0.55 8.25 8.37 1o6uE1 ILE 232 HA 0.11 -0.03 0.96 -0.75 4.18 4.45 1o6uE1 ILE 232 HB 0.09 0.04 -0.09 -0.04 1.89 1.89 1o6uE1 ILE 232 HG12 0.14 -0.04 -0.17 -0.04 1.49 1.38 1o6uE1 ILE 232 HG13 0.18 -0.12 -0.47 -0.04 1.21 0.76 1o6uE1 ILE 232 HG23 0.10 0.10 -0.22 -0.04 0.93 0.87 1o6uE1 ILE 232 HD13 0.11 0.02 -0.17 -0.04 0.88 0.79 1o6uE1 SER 233 H 0.07 0.14 0.07 -0.55 8.46 8.20 1o6uE1 SER 233 HA 0.03 0.16 0.40 -0.75 4.49 4.33 1o6uE1 SER 233 HB2 0.06 0.01 0.06 -0.04 3.95 4.04 1o6uE1 SER 233 HB3 0.04 -0.07 0.04 -0.04 3.93 3.90 1o6uE1 PRO 234 HA 0.03 0.14 0.41 -0.51 4.44 4.51 1o6uE1 PRO 234 HB2 0.01 -0.04 0.07 -0.04 2.28 2.28 1o6uE1 PRO 234 HB3 0.00 0.09 0.07 -0.04 2.02 2.15 1o6uE1 PRO 234 HG2 -0.00 0.01 0.10 -0.04 2.03 2.10 1o6uE1 PRO 234 HG3 -0.00 0.14 0.12 -0.04 2.03 2.25 1o6uE1 PRO 234 HD2 0.02 0.03 0.21 -0.04 3.68 3.90 1o6uE1 PRO 234 HD3 0.01 0.23 0.26 -0.04 3.65 4.11 1o6uE1 ASP 235 H 0.03 0.11 -0.20 -0.55 8.40 7.80 1o6uE1 ASP 235 HA 0.03 0.05 0.42 -0.75 4.63 4.37 1o6uE1 ASP 235 HB2 0.03 0.05 0.06 -0.04 2.71 2.81 1o6uE1 ASP 235 HB3 0.02 -0.03 0.06 -0.04 2.70 2.72 1o6uE1 GLN 236 H 0.06 0.41 -0.53 -0.55 8.47 7.86 1o6uE1 GLN 236 HA 0.05 0.13 0.71 -0.75 4.36 4.50 1o6uE1 GLN 236 HB2 0.09 0.13 0.01 -0.04 2.15 2.34 1o6uE1 GLN 236 HB3 0.08 -0.08 0.16 -0.04 2.02 2.14 1o6uE1 GLN 236 HG2 0.09 -0.16 -0.12 -0.04 2.40 2.17 1o6uE1 GLN 236 HG3 0.13 0.16 0.06 -0.04 2.39 2.70 1o6uE1 GLN 236 HE21 0.12 0.00 -0.07 -0.04 6.97 6.99 1o6uE1 GLN 236 HE22 0.08 -0.09 -0.21 -0.04 7.69 7.44 1o6uE1 VAL 237 H 0.06 0.27 -0.26 -0.55 8.24 7.76 1o6uE1 VAL 237 HA 0.14 0.31 0.86 -0.75 4.13 4.68 1o6uE1 VAL 237 HB 0.09 -0.08 -0.03 -0.04 2.12 2.06 1o6uE1 VAL 237 HG13 0.25 0.06 -0.26 -0.04 0.97 0.97 1o6uE1 VAL 237 HG23 0.12 0.04 -0.30 -0.04 0.95 0.77 1o6uE1 PRO 238 HA 0.03 0.13 0.34 -0.51 4.44 4.42 1o6uE1 PRO 238 HB2 0.22 -0.17 -0.04 -0.04 2.28 2.25 1o6uE1 PRO 238 HB3 0.04 0.08 -0.07 -0.04 2.02 2.03 1o6uE1 PRO 238 HG2 -0.34 0.09 -0.05 -0.04 2.03 1.69 1o6uE1 PRO 238 HG3 -0.12 0.09 -0.08 -0.04 2.03 1.87 1o6uE1 PRO 238 HD2 0.14 0.04 0.09 -0.04 3.68 3.91 1o6uE1 PRO 238 HD3 0.01 0.36 0.12 -0.04 3.65 4.10 1o6uE1 VAL 239 H 0.01 0.23 0.11 -0.55 8.24 8.05 1o6uE1 VAL 239 HA 0.00 0.35 0.16 -0.75 4.13 3.89 1o6uE1 VAL 239 HB -0.02 -0.11 0.15 -0.04 2.12 2.10 1o6uE1 VAL 239 HG13 -0.03 0.00 -0.12 -0.04 0.97 0.78 1o6uE1 VAL 239 HG23 -0.01 0.05 -0.03 -0.04 0.95 0.92 1o6uE1 GLU 240 H 0.00 0.48 -0.22 -0.55 8.60 8.31 1o6uE1 GLU 240 HA -0.10 -0.01 0.24 -0.75 4.29 3.67 1o6uE1 GLU 240 HB2 -0.07 -0.07 -0.23 -0.04 2.09 1.68 1o6uE1 GLU 240 HB3 -0.01 0.05 -0.08 -0.04 1.99 1.91 1o6uE1 GLU 240 HG2 -0.13 0.01 -0.10 -0.04 2.34 2.08 1o6uE1 GLU 240 HG3 -0.74 0.03 -0.22 -0.04 2.34 1.37 1o6uE1 TYR 241 H 0.20 0.37 -0.56 -0.55 8.29 7.75 1o6uE1 TYR 241 HA 0.48 0.16 0.87 -0.75 4.56 5.31 1o6uE1 TYR 241 HB2 0.27 0.07 -0.02 -0.04 3.06 3.34 1o6uE1 TYR 241 HB3 0.47 -0.03 0.10 -0.04 2.98 3.48 1o6uE1 TYR 241 HD2 0.20 -0.01 -0.09 -0.04 7.15 7.20 1o6uE1 TYR 241 HE2 0.02 -0.02 -0.10 -0.04 6.85 6.71 1o6uE1 GLY 242 H 0.00 0.58 -0.29 -0.55 8.43 8.18 1o6uE1 GLY 242 HA2 -0.13 -0.05 0.31 -0.51 4.01 3.63 1o6uE1 GLY 242 HA3 -0.12 0.10 0.78 -0.51 4.01 4.26 1o6uE1 GLY 243 H 0.07 0.29 -0.42 -0.55 8.43 7.83 1o6uE1 GLY 243 HA2 0.01 0.01 0.59 -0.51 4.01 4.11 1o6uE1 GLY 243 HA3 0.05 0.21 0.34 -0.51 4.01 4.10 1o6uE1 THR 244 H 0.02 0.62 0.10 -0.55 8.28 8.48 1o6uE1 THR 244 HA -0.00 0.19 0.80 -0.75 4.39 4.63 1o6uE1 THR 244 HB -0.00 -0.03 0.05 -0.04 4.32 4.30 1o6uE1 THR 244 HG23 -0.00 -0.01 -0.22 -0.04 1.22 0.94 1o6uE1 THR 246 HA -0.01 -0.10 0.16 -0.75 4.39 3.68 1o6uE1 THR 246 HB -0.02 -0.15 -0.35 -0.04 4.32 3.76 1o6uE1 THR 246 HG23 -0.01 0.01 -0.53 -0.04 1.22 0.65 1o6uE1 ASP 247 H -0.02 0.23 0.12 -0.55 8.40 8.19 1o6uE1 ASP 247 HA -0.01 0.24 0.64 -0.75 4.63 4.74 1o6uE1 ASP 247 HB2 -0.02 -0.21 0.14 -0.04 2.71 2.58 1o6uE1 ASP 247 HB3 -0.01 0.06 0.14 -0.04 2.70 2.85 1o6uE1 PRO 248 HA -0.01 0.15 0.39 -0.51 4.44 4.47 1o6uE1 PRO 248 HB2 -0.01 -0.03 0.07 -0.04 2.28 2.27 1o6uE1 PRO 248 HB3 -0.01 0.05 0.09 -0.04 2.02 2.11 1o6uE1 PRO 248 HG2 -0.01 0.05 0.09 -0.04 2.03 2.13 1o6uE1 PRO 248 HG3 -0.00 0.11 0.09 -0.04 2.03 2.19 1o6uE1 PRO 248 HD2 -0.01 0.04 0.21 -0.04 3.68 3.88 1o6uE1 PRO 248 HD3 -0.01 0.22 0.23 -0.04 3.65 4.05 1o6uE1 ASP 249 H -0.01 0.03 -0.32 -0.55 8.40 7.55 1o6uE1 ASP 249 HA -0.01 0.18 0.55 -0.75 4.63 4.59 1o6uE1 ASP 249 HB2 -0.02 0.04 0.13 -0.04 2.71 2.81 1o6uE1 ASP 249 HB3 -0.01 0.02 0.05 -0.04 2.70 2.72 1o6uE1 GLY 250 H -0.01 0.76 -0.48 -0.55 8.43 8.15 1o6uE1 GLY 250 HA2 -0.01 0.14 0.22 -0.51 4.01 3.84 1o6uE1 GLY 250 HA3 -0.02 0.12 0.55 -0.51 4.01 4.15 1o6uE1 ASN 251 H -0.02 -0.04 -0.23 -0.55 8.53 7.68 1o6uE1 ASN 251 HA -0.04 0.18 0.40 -0.75 4.76 4.55 1o6uE1 ASN 251 HB2 -0.03 0.07 0.07 -0.04 2.88 2.95 1o6uE1 ASN 251 HB3 -0.03 -0.18 0.14 -0.04 2.79 2.67 1o6uE1 ASN 251 HD21 -0.08 0.07 0.00 -0.04 7.03 6.98 1o6uE1 ASN 251 HD22 -0.05 0.03 0.00 -0.04 7.74 7.68 1o6uE1 PRO 252 HA -0.03 0.15 0.45 -0.51 4.44 4.50 1o6uE1 PRO 252 HB2 -0.06 0.02 -0.05 -0.04 2.28 2.14 1o6uE1 PRO 252 HB3 -0.04 0.06 0.05 -0.04 2.02 2.05 1o6uE1 PRO 252 HG2 -0.05 0.03 0.07 -0.04 2.03 2.04 1o6uE1 PRO 252 HG3 -0.04 0.17 0.11 -0.04 2.03 2.24 1o6uE1 PRO 252 HD2 -0.07 0.04 0.19 -0.04 3.68 3.80 1o6uE1 PRO 252 HD3 -0.05 0.18 0.28 -0.04 3.65 4.02 1o6uE1 LYS 253 H -0.08 0.06 -0.30 -0.55 8.42 7.55 1o6uE1 LYS 253 HA 0.00 0.15 0.53 -0.75 4.32 4.25 1o6uE1 LYS 253 HB2 -0.20 -0.09 -0.02 -0.04 1.87 1.52 1o6uE1 LYS 253 HB3 -0.38 0.12 -0.04 -0.04 1.79 1.46 1o6uE1 LYS 253 HG2 -0.29 0.05 -0.06 -0.04 1.46 1.11 1o6uE1 LYS 253 HG3 -0.22 -0.06 -0.05 -0.04 1.46 1.09 1o6uE1 LYS 253 HD2 -0.46 -0.02 -0.03 -0.04 1.69 1.13 1o6uE1 LYS 253 HD3 -1.50 0.07 -0.05 -0.04 1.68 0.16 1o6uE1 LYS 253 HE2 -0.34 0.03 -0.05 -0.04 2.99 2.58 1o6uE1 LYS 253 HE3 -0.24 -0.03 -0.04 -0.04 2.99 2.64 1o6uE1 CYS 254 H -0.02 0.21 -0.38 -0.55 8.50 7.77 1o6uE1 CYS 254 HA -0.01 -0.03 0.20 -0.75 4.58 3.99 1o6uE1 CYS 254 HB2 -0.05 0.20 -0.16 -0.04 2.97 2.92 1o6uE1 CYS 254 HB3 -0.06 -0.01 0.10 -0.04 2.97 2.97 1o6uE1 LYS 255 H 0.01 -0.03 -0.16 -0.55 8.42 7.68 1o6uE1 LYS 255 HA 0.14 0.48 0.41 -0.75 4.32 4.59 1o6uE1 LYS 255 HB2 -0.00 -0.12 0.01 -0.04 1.87 1.72 1o6uE1 LYS 255 HB3 0.03 0.10 0.05 -0.04 1.79 1.92 1o6uE1 LYS 255 HG2 0.07 0.16 -0.03 -0.04 1.46 1.62 1o6uE1 LYS 255 HG3 -0.06 -0.20 -0.09 -0.04 1.46 1.07 1o6uE1 LYS 255 HD2 -0.05 -0.08 -0.01 -0.04 1.69 1.50 1o6uE1 LYS 255 HD3 -0.02 0.07 -0.01 -0.04 1.68 1.68 1o6uE1 LYS 255 HE2 -0.21 -0.09 -0.03 -0.04 2.99 2.62 1o6uE1 LYS 255 HE3 -0.11 -0.00 -0.02 -0.04 2.99 2.82 1o6uE1 SER 256 H -0.01 -0.06 -0.41 -0.55 8.46 7.43 1o6uE1 SER 256 HA -0.02 0.11 0.43 -0.75 4.49 4.26 1o6uE1 SER 256 HB2 -0.02 0.05 0.09 -0.04 3.95 4.03 1o6uE1 SER 256 HB3 -0.02 -0.13 0.07 -0.04 3.93 3.81 1o6uE1 LYS 257 H -0.05 0.25 -0.38 -0.55 8.42 7.68 1o6uE1 LYS 257 HA -0.06 0.19 0.93 -0.75 4.32 4.62 1o6uE1 LYS 257 HB2 -0.11 0.07 0.06 -0.04 1.87 1.85 1o6uE1 LYS 257 HB3 -0.11 0.05 0.03 -0.04 1.79 1.72 1o6uE1 LYS 257 HG2 -0.04 0.04 -0.04 -0.04 1.46 1.38 1o6uE1 LYS 257 HG3 -0.04 -0.17 -0.29 -0.04 1.46 0.91 1o6uE1 LYS 257 HD2 -0.06 0.01 -0.05 -0.04 1.69 1.54 1o6uE1 LYS 257 HD3 -0.07 0.03 0.01 -0.04 1.68 1.61 1o6uE1 LYS 257 HE2 -0.02 -0.06 -0.05 -0.04 2.99 2.82 1o6uE1 LYS 257 HE3 -0.02 0.02 -0.02 -0.04 2.99 2.92 1o6uE1 ILE 258 H -0.09 0.37 0.19 -0.55 8.25 8.17 1o6uE1 ILE 258 HA -0.32 0.24 0.88 -0.75 4.18 4.22 1o6uE1 ILE 258 HB -0.17 0.05 -0.01 -0.04 1.89 1.72 1o6uE1 ILE 258 HG12 -0.49 0.08 -0.21 -0.04 1.49 0.84 1o6uE1 ILE 258 HG13 -0.31 -0.10 -0.25 -0.04 1.21 0.51 1o6uE1 ILE 258 HG23 -0.74 -0.03 -0.29 -0.04 0.93 -0.16 1o6uE1 ILE 258 HD13 -0.74 0.01 -0.09 -0.04 0.88 0.02 1o6uE1 ASN 259 H -0.29 0.69 0.20 -0.55 8.53 8.58 1o6uE1 ASN 259 HA -0.06 0.08 0.69 -0.75 4.76 4.73 1o6uE1 ASN 259 HB2 -0.10 0.08 0.04 -0.04 2.88 2.86 1o6uE1 ASN 259 HB3 -0.14 0.09 0.16 -0.04 2.79 2.86 1o6uE1 ASN 259 HD21 -0.13 0.32 -0.23 -0.04 7.03 6.95 1o6uE1 ASN 259 HD22 -0.09 0.03 -0.04 -0.04 7.74 7.60 1o6uE1 TYR 260 H 0.13 0.21 0.07 -0.55 8.29 8.15 1o6uE1 TYR 260 HA -0.04 0.18 0.92 -0.75 4.56 4.86 1o6uE1 TYR 260 HB2 -0.03 0.01 0.05 -0.04 3.06 3.06 1o6uE1 TYR 260 HB3 -0.01 -0.05 0.13 -0.04 2.98 3.00 1o6uE1 TYR 260 HD2 -0.03 0.02 -0.08 -0.04 7.15 7.01 1o6uE1 TYR 260 HE2 0.01 0.05 -0.16 -0.04 6.85 6.71 1o6uE1 GLY 261 H -0.01 0.10 -0.43 -0.55 8.43 7.54 1o6uE1 GLY 261 HA2 0.08 0.29 0.23 -0.51 4.01 4.10 1o6uE1 GLY 261 HA3 0.06 -0.07 0.22 -0.51 4.01 3.71 1o6uE1 GLY 262 H 0.08 0.50 0.22 -0.55 8.43 8.69 1o6uE1 GLY 262 HA2 0.07 -0.07 0.40 -0.51 4.01 3.91 1o6uE1 GLY 262 HA3 0.16 0.17 0.84 -0.51 4.01 4.67 1o6uE1 ASP 263 H 0.01 0.06 0.13 -0.55 8.40 8.06 1o6uE1 ASP 263 HA -0.08 -0.01 0.52 -0.75 4.63 4.31 1o6uE1 ASP 263 HB2 -0.03 -0.02 0.11 -0.04 2.71 2.73 1o6uE1 ASP 263 HB3 -0.06 0.04 -0.04 -0.04 2.70 2.59 1o6uE1 ILE 264 H -0.14 0.01 0.17 -0.55 8.25 7.74 1o6uE1 ILE 264 HA -0.86 0.21 0.54 -0.75 4.18 3.31 1o6uE1 ILE 264 HB 0.00 -0.15 0.06 -0.04 1.89 1.76 1o6uE1 ILE 264 HG12 -0.59 0.11 -0.09 -0.04 1.49 0.88 1o6uE1 ILE 264 HG13 -0.21 0.00 0.04 -0.04 1.21 1.00 1o6uE1 ILE 264 HG23 -0.04 0.05 -0.20 -0.04 0.93 0.70 1o6uE1 ILE 264 HD13 -0.07 -0.06 -0.35 -0.04 0.88 0.36 1o6uE1 PRO 265 HA -0.06 0.02 0.46 -0.51 4.44 4.36 1o6uE1 PRO 265 HB2 0.17 -0.05 0.08 -0.04 2.28 2.43 1o6uE1 PRO 265 HB3 0.02 0.00 0.10 -0.04 2.02 2.10 1o6uE1 PRO 265 HG2 0.30 0.05 0.06 -0.04 2.03 2.40 1o6uE1 PRO 265 HG3 0.06 0.08 0.06 -0.04 2.03 2.19 1o6uE1 PRO 265 HD2 -0.06 0.06 0.17 -0.04 3.68 3.82 1o6uE1 PRO 265 HD3 -0.63 0.35 0.26 -0.04 3.65 3.59 1o6uE1 ARG 266 H -0.19 0.14 0.18 -0.55 8.46 8.04 1o6uE1 ARG 266 HA -1.11 0.12 0.34 -0.75 4.34 2.94 1o6uE1 ARG 266 HB2 -0.37 0.05 0.07 -0.04 1.90 1.62 1o6uE1 ARG 266 HB3 -0.37 0.02 0.14 -0.04 1.80 1.56 1o6uE1 ARG 266 HG2 -0.14 0.02 0.03 -0.04 1.67 1.54 1o6uE1 ARG 266 HG3 -0.15 -0.12 0.11 -0.04 1.67 1.48 1o6uE1 ARG 266 HD2 -0.14 0.12 -0.58 -0.04 3.22 2.58 1o6uE1 ARG 266 HD3 -0.11 0.02 -0.10 -0.04 3.22 2.99 1o6uE1 LYS 267 H -0.13 -0.00 -0.41 -0.55 8.42 7.33 1o6uE1 LYS 267 HA -0.09 0.08 0.34 -0.75 4.32 3.90 1o6uE1 LYS 267 HB2 -0.17 0.03 0.05 -0.04 1.87 1.74 1o6uE1 LYS 267 HB3 -0.13 -0.06 0.06 -0.04 1.79 1.62 1o6uE1 LYS 267 HG2 -0.20 -0.10 -0.07 -0.04 1.46 1.06 1o6uE1 LYS 267 HG3 -0.67 0.09 -0.23 -0.04 1.46 0.62 1o6uE1 LYS 267 HD2 -0.24 0.01 -0.04 -0.04 1.69 1.38 1o6uE1 LYS 267 HD3 -0.14 -0.04 -0.01 -0.04 1.68 1.45 1o6uE1 LYS 267 HE2 -0.10 -0.01 -0.02 -0.04 2.99 2.83 1o6uE1 LYS 267 HE3 -0.56 0.03 -0.05 -0.04 2.99 2.36 1o6uE1 TYR 268 H 0.13 0.44 -0.32 -0.55 8.29 8.00 1o6uE1 TYR 268 HA 0.08 0.08 0.57 -0.75 4.56 4.53 1o6uE1 TYR 268 HB2 0.13 0.11 -0.01 -0.04 3.06 3.25 1o6uE1 TYR 268 HB3 0.12 -0.02 0.05 -0.04 2.98 3.10 1o6uE1 TYR 268 HD2 0.04 0.08 0.05 -0.04 7.15 7.27 1o6uE1 TYR 268 HE2 0.13 -0.03 -0.02 -0.04 6.85 6.89 1o6uE1 TYR 269 H 0.31 0.28 -0.27 -0.55 8.29 8.06 1o6uE1 TYR 269 HA 0.13 0.08 0.33 -0.75 4.56 4.34 1o6uE1 TYR 269 HB2 0.05 0.10 0.14 -0.04 3.06 3.31 1o6uE1 TYR 269 HB3 0.06 0.04 0.02 -0.04 2.98 3.05 1o6uE1 TYR 269 HD2 0.10 -0.03 -0.07 -0.04 7.15 7.11 1o6uE1 TYR 269 HE2 0.06 -0.04 -0.10 -0.04 6.85 6.74 1o6uE1 VAL 270 H 0.12 0.72 0.50 -0.55 8.24 9.02 1o6uE1 VAL 270 HA 0.08 0.15 0.91 -0.75 4.13 4.51 1o6uE1 VAL 270 HB 0.05 -0.11 0.15 -0.04 2.12 2.18 1o6uE1 VAL 270 HG13 0.10 0.05 -0.04 -0.04 0.97 1.04 1o6uE1 VAL 270 HG23 0.07 0.01 -0.13 -0.04 0.95 0.85 1o6uE1 ARG 271 H 0.02 0.35 0.26 -0.55 8.46 8.53 1o6uE1 ARG 271 HA -0.06 0.08 0.59 -0.75 4.34 4.19 1o6uE1 ARG 271 HB2 -0.15 -0.02 0.22 -0.04 1.90 1.90 1o6uE1 ARG 271 HB3 -0.04 0.08 -0.09 -0.04 1.80 1.71 1o6uE1 ARG 271 HG2 -0.02 0.10 0.07 -0.04 1.67 1.78 1o6uE1 ARG 271 HG3 -0.38 -0.12 -0.18 -0.04 1.67 0.96 1o6uE1 ARG 271 HD2 0.12 0.18 0.01 -0.04 3.22 3.49 1o6uE1 ARG 271 HD3 -0.03 0.19 0.06 -0.04 3.22 3.39 1o6uE1 ASP 272 H -0.22 0.17 0.16 -0.55 8.40 7.96 1o6uE1 ASP 272 HA -0.49 0.21 0.92 -0.75 4.63 4.51 1o6uE1 ASP 272 HB2 -0.08 -0.01 0.17 -0.04 2.71 2.74 1o6uE1 ASP 272 HB3 -0.06 0.00 -0.04 -0.04 2.70 2.56 1o6uE1 GLN 273 H -0.57 0.24 0.05 -0.55 8.47 7.64 1o6uE1 GLN 273 HA -0.25 0.05 0.41 -0.75 4.36 3.81 1o6uE1 GLN 273 HB2 0.03 0.06 0.09 -0.04 2.15 2.29 1o6uE1 GLN 273 HB3 -0.08 0.18 -0.03 -0.04 2.02 2.06 1o6uE1 GLN 273 HG2 -0.12 -0.20 -0.13 -0.04 2.40 1.91 1o6uE1 GLN 273 HG3 -0.05 0.01 -0.29 -0.04 2.39 2.03 1o6uE1 GLN 273 HE21 -0.02 0.22 0.05 -0.04 6.97 7.19 1o6uE1 GLN 273 HE22 -0.05 -0.12 -0.03 -0.04 7.69 7.44 1o6uE1 VAL 274 H 0.23 0.16 0.10 -0.55 8.24 8.18 1o6uE1 VAL 274 HA 0.05 0.20 0.91 -0.75 4.13 4.54 1o6uE1 VAL 274 HB 0.07 -0.00 0.12 -0.04 2.12 2.26 1o6uE1 VAL 274 HG13 0.33 -0.00 -0.12 -0.04 0.97 1.14 1o6uE1 VAL 274 HG23 0.15 0.00 -0.08 -0.04 0.95 0.98 1o6uE1 LYS 275 H 0.02 0.09 0.13 -0.55 8.42 8.11 1o6uE1 LYS 275 HA 0.01 0.06 0.44 -0.75 4.32 4.08 1o6uE1 LYS 275 HB2 -0.01 -0.02 0.10 -0.04 1.87 1.90 1o6uE1 LYS 275 HB3 -0.01 0.03 -0.00 -0.04 1.79 1.77 1o6uE1 LYS 275 HG2 0.01 0.03 0.04 -0.04 1.46 1.50 1o6uE1 LYS 275 HG3 0.01 -0.02 0.09 -0.04 1.46 1.50 1o6uE1 LYS 275 HD2 0.00 -0.01 0.03 -0.04 1.69 1.66 1o6uE1 LYS 275 HD3 -0.00 0.01 0.00 -0.04 1.68 1.65 1o6uE1 LYS 275 HE2 0.01 0.01 0.01 -0.04 2.99 2.98 1o6uE1 LYS 275 HE3 0.01 0.00 0.02 -0.04 2.99 2.98 1o6uE1 GLN 276 H -0.00 0.23 0.22 -0.55 8.47 8.36 1o6uE1 GLN 276 HA -0.14 0.12 0.73 -0.75 4.36 4.32 1o6uE1 GLN 276 HB2 -0.06 -0.00 -0.04 -0.04 2.15 2.01 1o6uE1 GLN 276 HB3 -0.41 0.03 -0.05 -0.04 2.02 1.54 1o6uE1 GLN 276 HG2 -0.14 -0.02 -0.04 -0.04 2.40 2.15 1o6uE1 GLN 276 HG3 -0.02 0.14 -0.61 -0.04 2.39 1.86 1o6uE1 GLN 276 HE21 0.24 0.01 -0.06 -0.04 6.97 7.12 1o6uE1 GLN 276 HE22 0.09 -0.05 -0.06 -0.04 7.69 7.62 1o6uE1 GLN 277 H -0.29 0.23 0.15 -0.55 8.47 8.02 1o6uE1 GLN 277 HA -0.10 0.17 0.83 -0.75 4.36 4.50 1o6uE1 GLN 277 HB2 -0.12 -0.01 -0.00 -0.04 2.15 1.97 1o6uE1 GLN 277 HB3 -0.07 0.05 -0.02 -0.04 2.02 1.94 1o6uE1 GLN 277 HG2 -0.02 0.04 -0.04 -0.04 2.40 2.34 1o6uE1 GLN 277 HG3 -0.06 -0.05 -0.33 -0.04 2.39 1.91 1o6uE1 GLN 277 HE21 -0.03 0.01 -0.06 -0.04 6.97 6.85 1o6uE1 GLN 277 HE22 -0.04 -0.01 -0.11 -0.04 7.69 7.49 1o6uE1 TYR 278 H 0.10 0.20 0.12 -0.55 8.29 8.16 1o6uE1 TYR 278 HA -0.00 0.17 0.89 -0.75 4.56 4.86 1o6uE1 TYR 278 HB2 -0.03 0.01 0.02 -0.04 3.06 3.02 1o6uE1 TYR 278 HB3 -0.01 0.06 -0.07 -0.04 2.98 2.92 1o6uE1 TYR 278 HD2 0.09 -0.03 -0.19 -0.04 7.15 6.98 1o6uE1 TYR 278 HE2 0.08 0.01 -0.27 -0.04 6.85 6.64 1o6uE1 GLU 279 H 0.00 0.17 0.20 -0.55 8.60 8.43 1o6uE1 GLU 279 HA -0.18 0.10 0.57 -0.75 4.29 4.02 1o6uE1 GLU 279 HB2 -0.24 -0.00 0.21 -0.04 2.09 2.02 1o6uE1 GLU 279 HB3 -0.43 -0.00 0.17 -0.04 1.99 1.69 1o6uE1 GLU 279 HG2 -0.08 0.02 0.01 -0.04 2.34 2.24 1o6uE1 GLU 279 HG3 -0.02 -0.03 0.10 -0.04 2.34 2.35 1o6uE1 HIS 280 H -0.21 0.41 0.12 -0.55 8.41 8.18 1o6uE1 HIS 280 HA -0.20 0.18 0.90 -0.75 4.63 4.75 1o6uE1 HIS 280 HB2 -1.82 -0.03 -0.02 -0.04 3.26 1.36 1o6uE1 HIS 280 HB3 -0.55 -0.00 0.06 -0.04 3.20 2.66 1o6uE1 HIS 280 HD2 0.04 -0.08 -0.05 -0.04 6.97 6.83 1o6uE1 HIS 280 HE1 0.05 -0.02 0.03 -0.04 7.75 7.77 1o6uE1 SER 281 H -0.09 0.30 0.24 -0.55 8.46 8.36 1o6uE1 SER 281 HA -0.12 0.26 1.00 -0.75 4.49 4.88 1o6uE1 SER 281 HB2 -0.06 0.03 -0.17 -0.04 3.95 3.71 1o6uE1 SER 281 HB3 -0.05 -0.02 0.04 -0.04 3.93 3.85 1o6uE1 VAL 282 H -0.08 0.68 0.38 -0.55 8.24 8.67 1o6uE1 VAL 282 HA -0.09 0.13 0.76 -0.75 4.13 4.18 1o6uE1 VAL 282 HB -0.40 0.00 -0.05 -0.04 2.12 1.63 1o6uE1 VAL 282 HG13 -0.22 -0.01 -0.24 -0.04 0.97 0.47 1o6uE1 VAL 282 HG23 -0.26 0.01 -0.07 -0.04 0.95 0.58 1o6uE1 GLN 283 H -0.07 0.21 0.11 -0.55 8.47 8.18 1o6uE1 GLN 283 HA -0.05 0.23 0.89 -0.75 4.36 4.68 1o6uE1 GLN 283 HB2 -0.03 -0.02 0.02 -0.04 2.15 2.08 1o6uE1 GLN 283 HB3 -0.03 -0.01 0.11 -0.04 2.02 2.06 1o6uE1 GLN 283 HG2 -0.02 0.02 -0.18 -0.04 2.40 2.18 1o6uE1 GLN 283 HG3 -0.02 -0.01 -0.10 -0.04 2.39 2.22 1o6uE1 GLN 283 HE21 -0.01 -0.00 -0.04 -0.04 6.97 6.88 1o6uE1 GLN 283 HE22 -0.01 0.01 -0.06 -0.04 7.69 7.59 1o6uE1 ILE 284 H -0.05 0.86 0.24 -0.55 8.25 8.75 1o6uE1 ILE 284 HA -0.01 0.05 0.59 -0.75 4.18 4.07 1o6uE1 ILE 284 HB -0.02 -0.00 0.05 -0.04 1.89 1.88 1o6uE1 ILE 284 HG12 0.00 -0.03 -0.18 -0.04 1.49 1.25 1o6uE1 ILE 284 HG13 -0.08 0.08 -0.10 -0.04 1.21 1.06 1o6uE1 ILE 284 HG23 0.02 0.06 -0.32 -0.04 0.93 0.64 1o6uE1 ILE 284 HD13 0.05 0.00 -0.17 -0.04 0.88 0.73 1o6uE1 SER 285 H -0.01 0.10 0.10 -0.55 8.46 8.11 1o6uE1 SER 285 HA -0.03 0.00 0.40 -0.75 4.49 4.11 1o6uE1 SER 285 HB2 -0.03 -0.00 0.01 -0.04 3.95 3.88 1o6uE1 SER 285 HB3 -0.05 0.05 0.06 -0.04 3.93 3.95 1o6uE1 ARG 286 H -0.06 0.03 0.04 -0.55 8.46 7.91 1o6uE1 ARG 286 HA -0.09 0.21 0.32 -0.75 4.34 4.03 1o6uE1 ARG 286 HB2 -0.15 0.09 -0.40 -0.04 1.90 1.39 1o6uE1 ARG 286 HB3 -0.09 0.00 -0.44 -0.04 1.80 1.24 1o6uE1 ARG 286 HG2 -0.11 -0.16 0.02 -0.04 1.67 1.38 1o6uE1 ARG 286 HG3 -0.19 -0.02 -0.17 -0.04 1.67 1.24 1o6uE1 ARG 286 HD2 -0.29 0.48 0.11 -0.04 3.22 3.48 1o6uE1 ARG 286 HD3 -0.13 0.09 0.05 -0.04 3.22 3.19 1o6uE1 GLY 287 H -0.12 0.66 0.25 -0.55 8.43 8.68 1o6uE1 GLY 287 HA2 -0.07 0.03 0.29 -0.51 4.01 3.75 1o6uE1 GLY 287 HA3 -0.11 -0.03 0.29 -0.51 4.01 3.65 1o6uE1 SER 288 H -0.07 0.41 -0.55 -0.55 8.46 7.70 1o6uE1 SER 288 HA -0.04 0.17 0.93 -0.75 4.49 4.80 1o6uE1 SER 288 HB2 -0.02 0.01 -0.12 -0.04 3.95 3.78 1o6uE1 SER 288 HB3 -0.02 -0.06 0.11 -0.04 3.93 3.92 1o6uE1 SER 289 H -0.01 0.25 0.19 -0.55 8.46 8.34 1o6uE1 SER 289 HA 0.04 0.15 0.97 -0.75 4.49 4.89 1o6uE1 SER 289 HB2 -0.02 0.10 -0.03 -0.04 3.95 3.96 1o6uE1 SER 289 HB3 -0.01 -0.11 -0.07 -0.04 3.93 3.70 1o6uE1 HIS 290 H 0.14 0.77 0.29 -0.55 8.41 9.07 1o6uE1 HIS 290 HA 0.00 0.14 0.92 -0.75 4.63 4.94 1o6uE1 HIS 290 HB2 0.03 -0.01 -0.10 -0.04 3.26 3.13 1o6uE1 HIS 290 HB3 0.09 -0.03 0.11 -0.04 3.20 3.33 1o6uE1 HIS 290 HD2 0.08 -0.06 -0.27 -0.04 6.97 6.68 1o6uE1 HIS 290 HE1 0.06 -0.01 -0.00 -0.04 7.75 7.76 1o6uE1 GLN 291 H -0.33 0.17 0.10 -0.55 8.47 7.87 1o6uE1 GLN 291 HA -0.15 0.21 0.85 -0.75 4.36 4.51 1o6uE1 GLN 291 HB2 -0.18 -0.01 0.05 -0.04 2.15 1.97 1o6uE1 GLN 291 HB3 -0.15 0.04 -0.15 -0.04 2.02 1.72 1o6uE1 GLN 291 HG2 -0.18 0.02 -0.18 -0.04 2.40 2.01 1o6uE1 GLN 291 HG3 -0.15 -0.07 -0.20 -0.04 2.39 1.92 1o6uE1 GLN 291 HE21 -0.17 0.33 -0.03 -0.04 6.97 7.07 1o6uE1 GLN 291 HE22 -0.17 -0.10 -0.09 -0.04 7.69 7.28 1o6uE1 VAL 292 H -0.09 0.50 0.20 -0.55 8.24 8.29 1o6uE1 VAL 292 HA -0.07 0.13 0.89 -0.75 4.13 4.33 1o6uE1 VAL 292 HB 0.06 -0.04 0.16 -0.04 2.12 2.25 1o6uE1 VAL 292 HG13 0.21 0.01 -0.10 -0.04 0.97 1.05 1o6uE1 VAL 292 HG23 -0.03 0.02 -0.19 -0.04 0.95 0.70 1o6uE1 GLU 293 H -0.11 0.16 0.11 -0.55 8.60 8.21 1o6uE1 GLU 293 HA 0.03 0.33 1.01 -0.75 4.29 4.91 1o6uE1 GLU 293 HB2 -0.09 -0.04 0.06 -0.04 2.09 1.98 1o6uE1 GLU 293 HB3 -0.05 0.01 -0.16 -0.04 1.99 1.75 1o6uE1 GLU 293 HG2 -0.02 0.07 -0.17 -0.04 2.34 2.17 1o6uE1 GLU 293 HG3 -0.06 -0.09 -0.21 -0.04 2.34 1.94 1o6uE1 TYR 294 H 0.18 0.74 0.32 -0.55 8.29 8.97 1o6uE1 TYR 294 HA 0.06 0.10 0.77 -0.75 4.56 4.74 1o6uE1 TYR 294 HB2 0.10 -0.01 -0.02 -0.04 3.06 3.09 1o6uE1 TYR 294 HB3 0.08 0.04 -0.12 -0.04 2.98 2.94 1o6uE1 TYR 294 HD2 0.09 -0.00 -0.20 -0.04 7.15 6.99 1o6uE1 TYR 294 HE2 0.16 -0.03 -0.08 -0.04 6.85 6.85 1o6uE1 GLU 295 H 0.12 0.15 0.13 -0.55 8.60 8.46 1o6uE1 GLU 295 HA 0.12 0.17 0.88 -0.75 4.29 4.71 1o6uE1 GLU 295 HB2 0.03 0.00 0.01 -0.04 2.09 2.10 1o6uE1 GLU 295 HB3 0.04 -0.03 0.13 -0.04 1.99 2.08 1o6uE1 GLU 295 HG2 -0.01 -0.08 -0.42 -0.04 2.34 1.78 1o6uE1 GLU 295 HG3 0.02 0.11 -0.19 -0.04 2.34 2.23 1o6uE1 ILE 296 H 0.16 0.88 0.40 -0.55 8.25 9.14 1o6uE1 ILE 296 HA 0.03 0.10 0.86 -0.75 4.18 4.42 1o6uE1 ILE 296 HB 0.21 0.07 0.15 -0.04 1.89 2.28 1o6uE1 ILE 296 HG12 -0.28 -0.00 -0.13 -0.04 1.49 1.04 1o6uE1 ILE 296 HG13 -0.02 -0.01 -0.09 -0.04 1.21 1.05 1o6uE1 ILE 296 HG23 0.03 -0.00 -0.27 -0.04 0.93 0.65 1o6uE1 ILE 296 HD13 0.10 -0.03 -0.48 -0.04 0.88 0.43 1o6uE1 LEU 297 H -0.15 0.08 0.09 -0.55 8.37 7.85 1o6uE1 LEU 297 HA -0.10 0.19 0.91 -0.75 4.35 4.60 1o6uE1 LEU 297 HB2 -0.25 -0.01 -0.06 -0.04 1.64 1.28 1o6uE1 LEU 297 HB3 -0.76 -0.03 0.10 -0.04 1.64 0.91 1o6uE1 LEU 297 HG -0.43 0.04 -0.23 -0.04 1.64 0.98 1o6uE1 LEU 297 HD13 -0.09 0.00 0.02 -0.04 0.93 0.81 1o6uE1 LEU 297 HD23 -0.38 -0.01 -0.03 -0.04 0.89 0.43 1o6uE1 PHE 298 H -0.27 -0.02 0.12 -0.55 8.34 7.61 1o6uE1 PHE 298 HA 0.03 0.18 0.66 -0.75 4.62 4.74 1o6uE1 PHE 298 HB2 0.03 -0.05 0.11 -0.04 3.15 3.19 1o6uE1 PHE 298 HB3 0.03 0.13 0.03 -0.04 3.06 3.21 1o6uE1 PHE 298 HD2 0.03 0.05 0.01 -0.04 7.28 7.32 1o6uE1 PHE 298 HE2 0.02 0.01 -0.00 -0.04 7.38 7.37 1o6uE1 PHE 298 HZ 0.02 -0.01 -0.00 -0.04 7.32 7.29 1o6uE1 PRO 299 HA 0.09 0.13 0.42 -0.51 4.44 4.57 1o6uE1 PRO 299 HB2 0.07 0.01 0.09 -0.04 2.28 2.41 1o6uE1 PRO 299 HB3 0.08 0.08 0.20 -0.04 2.02 2.34 1o6uE1 PRO 299 HG2 0.09 0.01 0.10 -0.04 2.03 2.20 1o6uE1 PRO 299 HG3 0.09 0.02 0.11 -0.04 2.03 2.21 1o6uE1 PRO 299 HD2 0.22 0.01 0.25 -0.04 3.68 4.12 1o6uE1 PRO 299 HD3 0.14 0.20 0.29 -0.04 3.65 4.24 1o6uE1 GLY 300 H 0.07 0.34 0.19 -0.55 8.43 8.48 1o6uE1 GLY 300 HA2 0.05 -0.09 0.23 -0.51 4.01 3.69 1o6uE1 GLY 300 HA3 0.06 0.14 0.61 -0.51 4.01 4.30 1o6uE1 CYS 301 H 0.06 0.24 -0.08 -0.55 8.50 8.18 1o6uE1 CYS 301 HA 0.05 0.21 0.56 -0.75 4.58 4.65 1o6uE1 CYS 301 HB2 0.02 -0.04 0.02 -0.04 2.97 2.93 1o6uE1 CYS 301 HB3 0.03 -0.06 -0.04 -0.04 2.97 2.86 1o6uE1 VAL 302 H 0.02 0.55 0.32 -0.55 8.24 8.58 1o6uE1 VAL 302 HA 0.01 0.19 1.05 -0.75 4.13 4.63 1o6uE1 VAL 302 HB 0.01 0.01 0.08 -0.04 2.12 2.17 1o6uE1 VAL 302 HG13 0.01 -0.02 -0.29 -0.04 0.97 0.62 1o6uE1 VAL 302 HG23 0.02 0.01 -0.19 -0.04 0.95 0.76 1o6uE1 LEU 303 H 0.03 0.70 0.31 -0.55 8.37 8.87 1o6uE1 LEU 303 HA 0.02 0.23 0.84 -0.75 4.35 4.69 1o6uE1 LEU 303 HB2 -0.05 0.02 0.05 -0.04 1.64 1.62 1o6uE1 LEU 303 HB3 0.27 -0.08 0.10 -0.04 1.64 1.89 1o6uE1 LEU 303 HG 0.23 -0.03 -0.17 -0.04 1.64 1.63 1o6uE1 LEU 303 HD13 -0.12 0.04 -0.13 -0.04 0.93 0.68 1o6uE1 LEU 303 HD23 -0.03 -0.01 -0.15 -0.04 0.89 0.67 1o6uE1 ARG 304 H 0.09 0.66 0.40 -0.55 8.46 9.06 1o6uE1 ARG 304 HA -0.15 0.27 1.14 -0.75 4.34 4.84 1o6uE1 ARG 304 HB2 -0.03 -0.02 -0.09 -0.04 1.90 1.72 1o6uE1 ARG 304 HB3 0.01 -0.03 0.11 -0.04 1.80 1.86 1o6uE1 ARG 304 HG2 -0.04 -0.03 -0.20 -0.04 1.67 1.36 1o6uE1 ARG 304 HG3 -0.15 0.07 0.07 -0.04 1.67 1.63 1o6uE1 ARG 304 HD2 -0.04 -0.06 0.00 -0.04 3.22 3.09 1o6uE1 ARG 304 HD3 -0.02 0.02 -0.05 -0.04 3.22 3.12 1o6uE1 TRP 305 H -0.54 0.56 0.35 -0.55 7.97 7.79 1o6uE1 TRP 305 HA 0.17 0.37 1.13 -0.75 4.62 5.53 1o6uE1 TRP 305 HB2 0.29 0.02 0.05 -0.04 3.23 3.55 1o6uE1 TRP 305 HB3 0.19 -0.05 -0.20 -0.04 3.23 3.13 1o6uE1 TRP 305 HD1 0.05 0.02 -0.49 -0.04 7.22 6.76 1o6uE1 TRP 305 HE1 -0.16 0.03 -0.34 -0.04 10.20 9.68 1o6uE1 TRP 305 HE3 0.11 -0.06 -0.46 -0.04 7.59 7.14 1o6uE1 TRP 305 HZ2 0.22 0.05 -0.14 -0.04 7.44 7.52 1o6uE1 TRP 305 HZ3 0.07 0.02 -0.33 -0.04 7.13 6.85 1o6uE1 TRP 305 HH2 0.12 0.09 -0.27 -0.04 7.19 7.09 1o6uE1 GLN 306 H 0.55 0.50 0.39 -0.55 8.47 9.36 1o6uE1 GLN 306 HA 0.15 0.31 0.79 -0.75 4.36 4.86 1o6uE1 GLN 306 HB2 0.19 0.08 0.14 -0.04 2.15 2.52 1o6uE1 GLN 306 HB3 0.09 -0.01 0.00 -0.04 2.02 2.06 1o6uE1 GLN 306 HG2 0.22 -0.01 0.11 -0.04 2.40 2.68 1o6uE1 GLN 306 HG3 0.32 -0.03 -0.07 -0.04 2.39 2.57 1o6uE1 GLN 306 HE21 -0.28 -0.03 0.02 -0.04 6.97 6.64 1o6uE1 GLN 306 HE22 -0.55 0.01 -0.08 -0.04 7.69 7.03 1o6uE1 PHE 307 H -0.08 0.60 0.24 -0.55 8.34 8.54 1o6uE1 PHE 307 HA 0.14 0.25 0.59 -0.75 4.62 4.85 1o6uE1 PHE 307 HB2 0.10 0.12 0.14 -0.04 3.15 3.47 1o6uE1 PHE 307 HB3 0.39 -0.03 -0.13 -0.04 3.06 3.25 1o6uE1 PHE 307 HD2 0.07 0.05 -0.27 -0.04 7.28 7.08 1o6uE1 PHE 307 HE2 -0.82 -0.01 -0.14 -0.04 7.38 6.36 1o6uE1 PHE 307 HZ -0.53 0.01 -0.10 -0.04 7.32 6.66 1o6uE1 SER 309 HA 0.04 0.02 0.43 -0.75 4.49 4.22 1o6uE1 SER 309 HB2 0.09 0.08 -0.05 -0.04 3.95 4.03 1o6uE1 SER 309 HB3 0.17 -0.13 -0.06 -0.04 3.93 3.87 1o6uE1 ASP 310 H 0.02 0.45 0.27 -0.55 8.40 8.59 1o6uE1 ASP 310 HA 0.06 0.19 0.96 -0.75 4.63 5.09 1o6uE1 ASP 310 HB2 0.00 0.01 0.06 -0.04 2.71 2.74 1o6uE1 ASP 310 HB3 0.00 -0.10 0.25 -0.04 2.70 2.81 1o6uE1 GLY 311 H 0.10 0.29 0.19 -0.55 8.43 8.47 1o6uE1 GLY 311 HA2 0.08 0.01 0.40 -0.51 4.01 3.99 1o6uE1 GLY 311 HA3 0.01 0.07 0.53 -0.51 4.01 4.11 1o6uE1 ALA 312 H -0.02 0.32 -0.56 -0.55 8.40 7.58 1o6uE1 ALA 312 HA -0.59 0.06 0.62 -0.75 4.34 3.68 1o6uE1 ALA 312 HB3 -0.07 0.01 -0.05 -0.04 1.41 1.26 1o6uE1 ASP 313 H -0.33 0.05 0.09 -0.55 8.40 7.66 1o6uE1 ASP 313 HA 0.17 0.04 0.49 -0.75 4.63 4.58 1o6uE1 ASP 313 HB2 0.20 0.23 0.12 -0.04 2.71 3.22 1o6uE1 ASP 313 HB3 0.12 -0.08 0.07 -0.04 2.70 2.76 1o6uE1 VAL 314 H 0.31 0.41 0.38 -0.55 8.24 8.78 1o6uE1 VAL 314 HA 0.33 0.11 0.60 -0.75 4.13 4.42 1o6uE1 VAL 314 HB 0.18 0.13 -0.21 -0.04 2.12 2.17 1o6uE1 VAL 314 HG13 0.31 -0.01 -0.15 -0.04 0.97 1.08 1o6uE1 VAL 314 HG23 0.18 0.02 -0.00 -0.04 0.95 1.11 1o6uE1 GLY 315 H 0.38 0.63 0.35 -0.55 8.43 9.24 1o6uE1 GLY 315 HA2 0.29 0.22 0.83 -0.51 4.01 4.83 1o6uE1 GLY 315 HA3 0.27 -0.06 0.33 -0.51 4.01 4.04 1o6uE1 PHE 316 H 0.36 0.60 0.44 -0.55 8.34 9.18 1o6uE1 PHE 316 HA -0.23 0.30 0.94 -0.75 4.62 4.87 1o6uE1 PHE 316 HB2 -0.20 0.02 -0.21 -0.04 3.15 2.72 1o6uE1 PHE 316 HB3 0.23 0.02 0.03 -0.04 3.06 3.30 1o6uE1 PHE 316 HD2 -0.84 0.02 -0.18 -0.04 7.28 6.24 1o6uE1 PHE 316 HE2 -0.88 -0.01 -0.21 -0.04 7.38 6.23 1o6uE1 PHE 316 HZ -1.96 -0.02 -0.21 -0.04 7.32 5.09 1o6uE1 GLY 317 H -0.90 0.45 0.30 -0.55 8.43 7.73 1o6uE1 GLY 317 HA2 -0.47 0.27 0.52 -0.51 4.01 3.82 1o6uE1 GLY 317 HA3 -0.29 -0.05 0.27 -0.51 4.01 3.43 1o6uE1 ILE 318 H -0.59 0.47 0.25 -0.55 8.25 7.84 1o6uE1 ILE 318 HA -0.33 0.27 1.19 -0.75 4.18 4.55 1o6uE1 ILE 318 HB -0.28 -0.04 0.04 -0.04 1.89 1.57 1o6uE1 ILE 318 HG12 -0.81 0.02 -0.20 -0.04 1.49 0.46 1o6uE1 ILE 318 HG13 -0.90 -0.07 -0.34 -0.04 1.21 -0.14 1o6uE1 ILE 318 HG23 -0.04 0.01 -0.20 -0.04 0.93 0.67 1o6uE1 ILE 318 HD13 -0.89 0.01 -0.19 -0.04 0.88 -0.23 1o6uE1 PHE 319 H 0.12 0.79 0.38 -0.55 8.34 9.08 1o6uE1 PHE 319 HA -0.10 0.21 1.12 -0.75 4.62 5.11 1o6uE1 PHE 319 HB2 -0.12 -0.08 -0.05 -0.04 3.15 2.86 1o6uE1 PHE 319 HB3 -0.10 0.18 -0.05 -0.04 3.06 3.04 1o6uE1 PHE 319 HD2 -0.14 0.17 -0.17 -0.04 7.28 7.10 1o6uE1 PHE 319 HE2 -0.14 0.01 -0.17 -0.04 7.38 7.04 1o6uE1 PHE 319 HZ -0.09 -0.07 -0.11 -0.04 7.32 7.01 1o6uE1 LEU 320 H 0.01 0.70 0.29 -0.55 8.37 8.82 1o6uE1 LEU 320 HA -0.36 0.14 0.92 -0.75 4.35 4.30 1o6uE1 LEU 320 HB2 -0.46 -0.08 -0.06 -0.04 1.64 1.01 1o6uE1 LEU 320 HB3 -0.16 0.04 0.16 -0.04 1.64 1.64 1o6uE1 LEU 320 HG -0.19 0.14 -0.21 -0.04 1.64 1.33 1o6uE1 LEU 320 HD13 -0.73 0.03 -0.14 -0.04 0.93 0.05 1o6uE1 LEU 320 HD23 -0.14 -0.02 -0.07 -0.04 0.89 0.62 1o6uE1 LYS 321 H -0.13 0.63 0.24 -0.55 8.42 8.60 1o6uE1 LYS 321 HA -0.06 -0.00 0.45 -0.75 4.32 3.95 1o6uE1 LYS 321 HB2 -0.06 -0.02 0.05 -0.04 1.87 1.80 1o6uE1 LYS 321 HB3 -0.05 0.07 -0.07 -0.04 1.79 1.70 1o6uE1 LYS 321 HG2 -0.07 -0.09 -0.10 -0.04 1.46 1.17 1o6uE1 LYS 321 HG3 -0.05 0.06 -0.11 -0.04 1.46 1.32 1o6uE1 LYS 321 HD2 -0.05 -0.08 -0.14 -0.04 1.69 1.37 1o6uE1 LYS 321 HD3 -0.04 0.00 -0.12 -0.04 1.68 1.48 1o6uE1 LYS 321 HE2 -0.05 0.21 -0.06 -0.04 2.99 3.05 1o6uE1 LYS 321 HE3 -0.06 -0.28 0.02 -0.04 2.99 2.63 1o6uE1 THR 322 H -0.04 -0.00 0.11 -0.55 8.28 7.79 1o6uE1 THR 322 HA -0.04 0.20 0.79 -0.75 4.39 4.59 1o6uE1 THR 322 HB -0.02 -0.04 0.02 -0.04 4.32 4.24 1o6uE1 THR 322 HG23 -0.03 0.05 -0.08 -0.04 1.22 1.13 1o6uE1 LYS 323 H -0.03 0.03 0.05 -0.55 8.42 7.91 1o6uE1 LYS 323 HA -0.02 0.22 0.55 -0.75 4.32 4.31 1o6uE1 GLY 325 HA2 -0.02 -0.07 0.18 -0.51 4.01 3.59 1o6uE1 GLY 325 HA3 -0.02 -0.14 0.17 -0.51 4.01 3.50 1o6uE1 GLU 326 H -0.03 -0.01 -0.01 -0.55 8.60 8.01 1o6uE1 GLU 326 HA -0.03 0.01 0.35 -0.75 4.29 3.87 1o6uE1 GLU 326 HB2 -0.03 0.01 -0.03 -0.04 2.09 2.00 1o6uE1 GLU 326 HB3 -0.03 -0.02 0.10 -0.04 1.99 2.00 1o6uE1 GLU 326 HG2 -0.02 0.00 0.03 -0.04 2.34 2.31 1o6uE1 GLU 326 HG3 -0.02 -0.04 0.06 -0.04 2.34 2.30 1o6uE1 ARG 327 H -0.05 0.02 0.14 -0.55 8.46 8.02 1o6uE1 ARG 327 HA -0.06 0.11 0.49 -0.75 4.34 4.12 1o6uE1 ARG 327 HB2 -0.07 -0.05 0.09 -0.04 1.90 1.83 1o6uE1 ARG 327 HB3 -0.09 0.05 0.03 -0.04 1.80 1.75 1o6uE1 ARG 327 HG2 -0.07 0.08 -0.00 -0.04 1.67 1.64 1o6uE1 ARG 327 HG3 -0.06 -0.04 0.08 -0.04 1.67 1.60 1o6uE1 ARG 327 HD2 -0.10 -0.01 -0.03 -0.04 3.22 3.03 1o6uE1 ARG 327 HD3 -0.08 0.02 -0.01 -0.04 3.22 3.10 1o6uE1 GLN 328 H -0.08 0.10 0.10 -0.55 8.47 8.04 1o6uE1 GLN 328 HA -0.07 0.15 0.64 -0.75 4.36 4.33 1o6uE1 GLN 328 HB2 -0.09 0.02 -0.03 -0.04 2.15 2.00 1o6uE1 GLN 328 HB3 -0.07 -0.09 0.12 -0.04 2.02 1.94 1o6uE1 GLN 328 HG2 -0.05 0.01 -0.03 -0.04 2.40 2.29 1o6uE1 GLN 328 HG3 -0.06 0.20 0.01 -0.04 2.39 2.50 1o6uE1 GLN 328 HE21 -0.04 0.05 0.10 -0.04 6.97 7.04 1o6uE1 GLN 328 HE22 -0.04 0.02 0.07 -0.04 7.69 7.70 1o6uE1 ARG 329 H -0.08 0.13 0.12 -0.55 8.46 8.08 1o6uE1 ARG 329 HA -0.13 0.19 0.73 -0.75 4.34 4.37 1o6uE1 ARG 329 HB2 -0.07 -0.02 0.10 -0.04 1.90 1.87 1o6uE1 ARG 329 HB3 -0.08 -0.06 0.02 -0.04 1.80 1.64 1o6uE1 ARG 329 HG2 -0.07 0.05 -0.04 -0.04 1.67 1.58 1o6uE1 ARG 329 HG3 -0.06 0.04 -0.09 -0.04 1.67 1.51 1o6uE1 ARG 329 HD2 -0.04 0.00 -0.01 -0.04 3.22 3.13 1o6uE1 ARG 329 HD3 -0.04 -0.02 -0.01 -0.04 3.22 3.10 1o6uE1 ALA 330 H -0.24 0.17 0.06 -0.55 8.40 7.85 1o6uE1 ALA 330 HA -0.72 0.12 0.21 -0.75 4.34 3.19 1o6uE1 ALA 330 HB3 -0.39 0.01 -0.00 -0.04 1.41 0.99 1o6uE1 GLY 331 H -0.09 -0.00 -0.32 -0.55 8.43 7.48 1o6uE1 GLY 331 HA2 0.02 0.07 0.31 -0.51 4.01 3.91 1o6uE1 GLY 331 HA3 -0.02 -0.02 0.22 -0.51 4.01 3.68 1o6uE1 GLU 332 H -0.06 0.27 -0.36 -0.55 8.60 7.90 1o6uE1 GLU 332 HA -0.02 0.10 0.38 -0.75 4.29 4.00 1o6uE1 GLU 332 HB2 -0.05 0.03 0.14 -0.04 2.09 2.16 1o6uE1 GLU 332 HB3 -0.03 -0.00 0.10 -0.04 1.99 2.01 1o6uE1 GLU 332 HG2 -0.03 0.03 -0.04 -0.04 2.34 2.26 1o6uE1 GLU 332 HG3 -0.05 -0.09 0.03 -0.04 2.34 2.18 1o6uE1 THR 334 HA 0.02 -0.06 0.15 -0.75 4.39 3.74 1o6uE1 THR 334 HB -0.05 -0.04 0.17 -0.04 4.32 4.36 1o6uE1 THR 334 HG23 -0.02 -0.01 -0.19 -0.04 1.22 0.95 1o6uE1 GLU 335 H 0.00 0.12 0.04 -0.55 8.60 8.22 1o6uE1 GLU 335 HA -0.49 0.11 0.67 -0.75 4.29 3.83 1o6uE1 GLU 335 HB2 -0.01 0.05 0.06 -0.04 2.09 2.15 1o6uE1 GLU 335 HB3 -0.10 -0.01 0.16 -0.04 1.99 2.00 1o6uE1 GLU 335 HG2 -0.29 -0.04 -0.31 -0.04 2.34 1.66 1o6uE1 GLU 335 HG3 -0.99 0.08 -0.15 -0.04 2.34 1.24 1o6uE1 VAL 336 H -0.24 0.41 0.37 -0.55 8.24 8.23 1o6uE1 VAL 336 HA -0.05 0.11 0.63 -0.75 4.13 4.07 1o6uE1 VAL 336 HB 0.05 -0.04 0.03 -0.04 2.12 2.12 1o6uE1 VAL 336 HG13 0.02 0.03 -0.11 -0.04 0.97 0.87 1o6uE1 VAL 336 HG23 0.02 0.01 -0.21 -0.04 0.95 0.72 1o6uE1 LEU 337 H -0.33 0.40 0.00 -0.55 8.37 7.89 1o6uE1 LEU 337 HA -0.04 0.20 0.72 -0.75 4.35 4.48 1o6uE1 LEU 337 HB2 -0.04 0.05 -0.06 -0.04 1.64 1.55 1o6uE1 LEU 337 HB3 -0.29 -0.28 0.20 -0.04 1.64 1.22 1o6uE1 LEU 337 HG 0.02 0.16 -0.16 -0.04 1.64 1.61 1o6uE1 LEU 337 HD13 0.15 0.01 0.05 -0.04 0.93 1.11 1o6uE1 LEU 337 HD23 0.13 -0.03 -0.12 -0.04 0.89 0.84 1o6uE1 PRO 338 HA -0.14 -0.06 0.39 -0.51 4.44 4.11 1o6uE1 PRO 338 HB2 -0.01 0.03 0.01 -0.04 2.28 2.27 1o6uE1 PRO 338 HB3 -0.03 0.01 0.07 -0.04 2.02 2.04 1o6uE1 PRO 338 HG2 -0.01 0.02 0.05 -0.04 2.03 2.05 1o6uE1 PRO 338 HG3 -0.05 0.07 0.03 -0.04 2.03 2.04 1o6uE1 PRO 338 HD2 0.01 0.09 0.12 -0.04 3.68 3.85 1o6uE1 PRO 338 HD3 -0.04 0.24 -0.04 -0.04 3.65 3.77 1o6uE1 ASN 339 H -0.07 0.02 0.17 -0.55 8.53 8.11 1o6uE1 ASN 339 HA -0.01 0.28 0.50 -0.75 4.76 4.77 1o6uE1 ASN 339 HB2 0.12 -0.02 0.05 -0.04 2.88 3.00 1o6uE1 ASN 339 HB3 0.06 -0.04 0.06 -0.04 2.79 2.83 1o6uE1 ASN 339 HD21 0.12 -0.08 -0.15 -0.04 7.03 6.87 1o6uE1 ASN 339 HD22 0.09 0.00 -0.12 -0.04 7.74 7.67 1o6uE1 GLN 340 H 0.15 0.41 0.39 -0.55 8.47 8.87 1o6uE1 GLN 340 HA -0.03 0.02 0.59 -0.75 4.36 4.18 1o6uE1 GLN 340 HB2 -0.03 0.14 -0.29 -0.04 2.15 1.93 1o6uE1 GLN 340 HB3 -0.12 0.04 -0.04 -0.04 2.02 1.86 1o6uE1 GLN 340 HG2 -0.44 0.18 -0.05 -0.04 2.40 2.06 1o6uE1 GLN 340 HG3 -0.14 -0.10 0.14 -0.04 2.39 2.25 1o6uE1 GLN 340 HE21 -0.04 -0.02 0.01 -0.04 6.97 6.87 1o6uE1 GLN 340 HE22 -0.07 -0.04 0.03 -0.04 7.69 7.58 1o6uE1 ARG 341 H -0.11 0.14 0.17 -0.55 8.46 8.10 1o6uE1 ARG 341 HA 0.14 0.19 0.81 -0.75 4.34 4.72 1o6uE1 ARG 341 HB2 -0.11 -0.00 0.10 -0.04 1.90 1.85 1o6uE1 ARG 341 HB3 -0.03 0.02 -0.07 -0.04 1.80 1.68 1o6uE1 ARG 341 HG2 -0.14 0.01 -0.18 -0.04 1.67 1.32 1o6uE1 ARG 341 HG3 -0.13 -0.06 -0.11 -0.04 1.67 1.33 1o6uE1 ARG 341 HD2 -0.97 -0.03 -0.09 -0.04 3.22 2.09 1o6uE1 ARG 341 HD3 -0.31 0.02 -0.04 -0.04 3.22 2.84 1o6uE1 TYR 342 H 0.39 0.62 0.41 -0.55 8.29 9.16 1o6uE1 TYR 342 HA 0.14 0.20 0.97 -0.75 4.56 5.12 1o6uE1 TYR 342 HB2 0.35 0.02 0.12 -0.04 3.06 3.51 1o6uE1 TYR 342 HB3 0.17 0.03 0.02 -0.04 2.98 3.16 1o6uE1 TYR 342 HD2 0.24 0.02 -0.00 -0.04 7.15 7.37 1o6uE1 TYR 342 HE2 0.26 0.07 0.01 -0.04 6.85 7.15 1o6uE1 ASN 343 H 0.22 0.24 0.11 -0.55 8.53 8.55 1o6uE1 ASN 343 HA 0.42 0.07 0.65 -0.75 4.76 5.15 1o6uE1 ASN 343 HB2 0.09 0.08 0.22 -0.04 2.88 3.23 1o6uE1 ASN 343 HB3 -0.01 -0.02 0.22 -0.04 2.79 2.94 1o6uE1 ASN 343 HD21 0.07 0.02 0.01 -0.04 7.03 7.08 1o6uE1 ASN 343 HD22 0.07 0.04 0.06 -0.04 7.74 7.87 1o6uE1 SER 344 H 0.36 0.43 -0.46 -0.55 8.46 8.24 1o6uE1 SER 344 HA 0.10 0.39 0.39 -0.75 4.49 4.61 1o6uE1 SER 344 HB2 0.22 0.13 0.10 -0.04 3.95 4.36 1o6uE1 SER 344 HB3 0.19 -0.08 0.05 -0.04 3.93 4.05 1o6uE1 HIS 345 H 0.52 -0.14 -0.79 -0.55 8.41 7.46 1o6uE1 HIS 345 HA 0.06 0.57 0.79 -0.75 4.63 5.29 1o6uE1 HIS 345 HB2 0.05 -0.16 -0.07 -0.04 3.26 3.04 1o6uE1 HIS 345 HB3 0.08 0.20 -0.34 -0.04 3.20 3.10 1o6uE1 HIS 345 HD2 0.04 0.07 -0.30 -0.04 6.97 6.74 1o6uE1 HIS 345 HE1 0.08 -0.05 -0.01 -0.04 7.75 7.72 1o6uE1 LEU 346 H -0.19 0.37 -0.10 -0.55 8.37 7.91 1o6uE1 LEU 346 HA -0.15 0.13 0.79 -0.75 4.35 4.38 1o6uE1 LEU 346 HB2 -0.17 0.07 0.18 -0.04 1.64 1.67 1o6uE1 LEU 346 HB3 -0.13 -0.02 0.02 -0.04 1.64 1.48 1o6uE1 LEU 346 HG -1.18 -0.12 -0.14 -0.04 1.64 0.17 1o6uE1 LEU 346 HD13 -0.11 -0.02 0.01 -0.04 0.93 0.78 1o6uE1 LEU 346 HD23 -0.16 0.03 -0.06 -0.04 0.89 0.66 1o6uE1 VAL 347 H -0.03 0.40 0.17 -0.55 8.24 8.24 1o6uE1 VAL 347 HA -0.01 0.20 0.78 -0.75 4.13 4.34 1o6uE1 VAL 347 HB 0.01 -0.10 0.07 -0.04 2.12 2.06 1o6uE1 VAL 347 HG13 0.00 0.06 -0.00 -0.04 0.97 0.99 1o6uE1 VAL 347 HG23 -0.02 -0.03 -0.18 -0.04 0.95 0.67 1o6uE1 PRO 348 HA -0.01 0.18 0.55 -0.51 4.44 4.64 1o6uE1 PRO 348 HB2 0.12 -0.05 0.01 -0.04 2.28 2.32 1o6uE1 PRO 348 HB3 0.18 0.01 0.08 -0.04 2.02 2.24 1o6uE1 PRO 348 HG2 0.12 0.01 0.02 -0.04 2.03 2.14 1o6uE1 PRO 348 HG3 0.10 0.10 -0.04 -0.04 2.03 2.15 1o6uE1 PRO 348 HD2 0.05 0.07 0.16 -0.04 3.68 3.92 1o6uE1 PRO 348 HD3 0.03 0.18 0.07 -0.04 3.65 3.88 1o6uE1 GLU 349 H -0.40 0.60 0.34 -0.55 8.60 8.60 1o6uE1 GLU 349 HA -0.18 0.16 0.82 -0.75 4.29 4.34 1o6uE1 GLU 349 HB2 -1.85 0.01 0.14 -0.04 2.09 0.35 1o6uE1 GLU 349 HB3 -0.69 -0.01 -0.02 -0.04 1.99 1.23 1o6uE1 GLU 349 HG2 -0.21 0.04 -0.04 -0.04 2.34 2.10 1o6uE1 GLU 349 HG3 -0.50 -0.06 -0.02 -0.04 2.34 1.73 1o6uE1 ASP 350 H -0.13 0.32 0.26 -0.55 8.40 8.30 1o6uE1 ASP 350 HA -0.17 0.26 0.80 -0.75 4.63 4.76 1o6uE1 ASP 350 HB2 0.07 0.02 0.21 -0.04 2.71 2.97 1o6uE1 ASP 350 HB3 0.13 0.04 -0.15 -0.04 2.70 2.68 1o6uE1 GLY 351 H -1.01 0.60 0.37 -0.55 8.43 7.85 1o6uE1 GLY 351 HA2 -0.48 0.08 0.52 -0.51 4.01 3.62 1o6uE1 GLY 351 HA3 -1.04 0.05 0.34 -0.51 4.01 2.84 1o6uE1 THR 352 H -0.48 0.31 0.24 -0.55 8.28 7.81 1o6uE1 THR 352 HA -0.42 0.41 0.97 -0.75 4.39 4.60 1o6uE1 THR 352 HB -0.07 -0.02 -0.04 -0.04 4.32 4.14 1o6uE1 THR 352 HG23 -0.15 0.02 -0.16 -0.04 1.22 0.89 1o6uE1 LEU 353 H 0.11 0.56 0.25 -0.55 8.37 8.75 1o6uE1 LEU 353 HA 0.14 0.09 0.76 -0.75 4.35 4.60 1o6uE1 LEU 353 HB2 0.51 0.03 -0.19 -0.04 1.64 1.95 1o6uE1 LEU 353 HB3 0.31 -0.06 0.02 -0.04 1.64 1.87 1o6uE1 LEU 353 HG 0.10 0.12 -0.33 -0.04 1.64 1.48 1o6uE1 LEU 353 HD13 0.14 -0.01 0.05 -0.04 0.93 1.08 1o6uE1 LEU 353 HD23 0.12 -0.02 -0.16 -0.04 0.89 0.79 1o6uE1 THR 354 H 0.07 0.14 0.12 -0.55 8.28 8.06 1o6uE1 THR 354 HA 0.03 0.17 0.63 -0.75 4.39 4.47 1o6uE1 THR 354 HB 0.05 -0.03 0.15 -0.04 4.32 4.45 1o6uE1 THR 354 HG23 0.04 0.01 -0.17 -0.04 1.22 1.06 1o6uE1 CYS 355 H -0.02 0.88 0.22 -0.55 8.50 9.04 1o6uE1 CYS 355 HA 0.02 0.11 0.79 -0.75 4.58 4.74 1o6uE1 CYS 355 HB2 -0.14 0.02 0.06 -0.04 2.97 2.86 1o6uE1 CYS 355 HB3 -0.29 0.07 -0.09 -0.04 2.97 2.63 1o6uE1 SER 356 H 0.08 0.24 -0.04 -0.55 8.46 8.19 1o6uE1 SER 356 HA 0.06 -0.04 0.47 -0.75 4.49 4.23 1o6uE1 SER 356 HB2 0.06 0.03 0.01 -0.04 3.95 4.01 1o6uE1 SER 356 HB3 0.06 -0.00 0.04 -0.04 3.93 3.98 1o6uE1 ASP 357 H 0.14 0.04 -0.13 -0.55 8.40 7.90 1o6uE1 ASP 357 HA 0.08 0.20 0.77 -0.75 4.63 4.93 1o6uE1 ASP 357 HB2 0.12 -0.05 0.08 -0.04 2.71 2.82 1o6uE1 ASP 357 HB3 0.06 0.13 -0.01 -0.04 2.70 2.84 1o6uE1 PRO 358 HA 0.13 0.02 0.21 -0.51 4.44 4.29 1o6uE1 PRO 358 HB2 0.04 -0.08 0.05 -0.04 2.28 2.24 1o6uE1 PRO 358 HB3 0.03 0.12 0.10 -0.04 2.02 2.23 1o6uE1 PRO 358 HG2 0.06 -0.01 0.10 -0.04 2.03 2.15 1o6uE1 PRO 358 HG3 0.08 -0.00 -0.19 -0.04 2.03 1.87 1o6uE1 PRO 358 HD2 0.06 0.02 0.22 -0.04 3.68 3.93 1o6uE1 PRO 358 HD3 0.08 0.38 0.34 -0.04 3.65 4.41 1o6uE1 GLY 359 H 0.15 0.60 0.42 -0.55 8.43 9.05 1o6uE1 GLY 359 HA2 0.02 -0.00 0.31 -0.51 4.01 3.82 1o6uE1 GLY 359 HA3 -0.01 0.16 0.57 -0.51 4.01 4.22 1o6uE1 ILE 360 H -0.06 0.26 0.14 -0.55 8.25 8.05 1o6uE1 ILE 360 HA 0.10 0.15 1.00 -0.75 4.18 4.68 1o6uE1 ILE 360 HB -0.04 -0.02 0.13 -0.04 1.89 1.92 1o6uE1 ILE 360 HG12 -0.01 -0.02 -0.08 -0.04 1.49 1.35 1o6uE1 ILE 360 HG13 -0.01 0.06 -0.10 -0.04 1.21 1.12 1o6uE1 ILE 360 HG23 0.01 -0.00 -0.24 -0.04 0.93 0.66 1o6uE1 ILE 360 HD13 0.02 0.00 -0.14 -0.04 0.88 0.72 1o6uE1 TYR 361 H 0.33 0.69 0.37 -0.55 8.29 9.14 1o6uE1 TYR 361 HA 0.03 0.25 1.01 -0.75 4.56 5.10 1o6uE1 TYR 361 HB2 0.09 0.02 0.10 -0.04 3.06 3.23 1o6uE1 TYR 361 HB3 0.04 -0.04 -0.05 -0.04 2.98 2.89 1o6uE1 TYR 361 HD2 0.02 0.02 -0.15 -0.04 7.15 7.01 1o6uE1 TYR 361 HE2 0.03 0.06 -0.15 -0.04 6.85 6.74 1o6uE1 VAL 362 H 0.08 0.87 0.32 -0.55 8.24 8.95 1o6uE1 VAL 362 HA 0.05 0.37 1.10 -0.75 4.13 4.90 1o6uE1 VAL 362 HB 0.01 -0.05 -0.01 -0.04 2.12 2.03 1o6uE1 VAL 362 HG13 -0.10 -0.03 -0.34 -0.04 0.97 0.46 1o6uE1 VAL 362 HG23 -0.03 0.00 -0.33 -0.04 0.95 0.55 1o6uE1 LEU 363 H 0.00 0.65 0.28 -0.55 8.37 8.76 1o6uE1 LEU 363 HA -0.38 0.17 0.90 -0.75 4.35 4.29 1o6uE1 LEU 363 HB2 -0.08 -0.02 0.15 -0.04 1.64 1.65 1o6uE1 LEU 363 HB3 -0.37 0.01 -0.04 -0.04 1.64 1.20 1o6uE1 LEU 363 HG -0.24 0.00 -0.14 -0.04 1.64 1.22 1o6uE1 LEU 363 HD13 0.14 -0.00 -0.15 -0.04 0.93 0.87 1o6uE1 LEU 363 HD23 -0.09 -0.01 -0.16 -0.04 0.89 0.59 1o6uE1 ARG 364 H -0.36 0.77 0.34 -0.55 8.46 8.66 1o6uE1 ARG 364 HA -0.17 0.25 1.04 -0.75 4.34 4.71 1o6uE1 ARG 364 HB2 -0.18 -0.02 -0.17 -0.04 1.90 1.49 1o6uE1 ARG 364 HB3 0.05 0.02 0.04 -0.04 1.80 1.87 1o6uE1 ARG 364 HG2 -0.05 -0.06 -0.53 -0.04 1.67 0.99 1o6uE1 ARG 364 HG3 -0.11 0.01 -0.27 -0.04 1.67 1.26 1o6uE1 ARG 364 HD2 -0.43 0.01 -0.15 -0.04 3.22 2.61 1o6uE1 ARG 364 HD3 -0.27 0.01 -0.15 -0.04 3.22 2.77 1o6uE1 PHE 365 H 0.08 0.74 0.34 -0.55 8.34 8.95 1o6uE1 PHE 365 HA 0.01 0.30 0.89 -0.75 4.62 5.06 1o6uE1 PHE 365 HB2 0.00 -0.03 0.18 -0.04 3.15 3.25 1o6uE1 PHE 365 HB3 -0.04 0.01 -0.01 -0.04 3.06 2.99 1o6uE1 PHE 365 HD2 -0.24 0.08 -0.05 -0.04 7.28 7.02 1o6uE1 PHE 365 HE2 -1.52 -0.00 -0.15 -0.04 7.38 5.67 1o6uE1 PHE 365 HZ -0.28 -0.01 -0.18 -0.04 7.32 6.81 1o6uE1 ASP 366 H 0.18 0.77 0.20 -0.55 8.40 9.00 1o6uE1 ASP 366 HA 0.07 0.11 1.03 -0.75 4.63 5.09 1o6uE1 ASP 366 HB2 0.09 0.07 -0.22 -0.04 2.71 2.60 1o6uE1 ASP 366 HB3 0.19 -0.06 0.02 -0.04 2.70 2.80 1o6uE1 ASN 367 H -0.01 0.60 0.33 -0.55 8.53 8.90 1o6uE1 ASN 367 HA -0.45 0.09 0.83 -0.75 4.76 4.48 1o6uE1 ASN 367 HB2 -0.05 -0.05 -0.13 -0.04 2.88 2.61 1o6uE1 ASN 367 HB3 -0.08 0.25 0.03 -0.04 2.79 2.95 1o6uE1 ASN 367 HD21 -0.08 0.29 -0.03 -0.04 7.03 7.17 1o6uE1 ASN 367 HD22 -0.08 0.34 -0.30 -0.04 7.74 7.66 1o6uE1 THR 368 H -0.03 0.03 -0.09 -0.55 8.28 7.65 1o6uE1 THR 368 HA -0.06 0.03 -0.01 -0.75 4.39 3.60 1o6uE1 THR 368 HB 0.03 0.08 -0.06 -0.04 4.32 4.32 1o6uE1 THR 368 HG23 -0.01 0.02 -0.26 -0.04 1.22 0.94 1o6uE1 TYR 369 H -0.22 0.04 -0.45 -0.55 8.29 7.10 1o6uE1 TYR 369 HA 0.06 0.16 0.53 -0.75 4.56 4.56 1o6uE1 TYR 369 HB2 0.05 0.02 0.03 -0.04 3.06 3.11 1o6uE1 TYR 369 HB3 0.04 -0.01 -0.04 -0.04 2.98 2.93 1o6uE1 TYR 369 HD2 0.05 -0.04 -0.26 -0.04 7.15 6.86 1o6uE1 TYR 369 HE2 0.07 0.03 -0.07 -0.04 6.85 6.83 1o6uE1 SER 370 H -0.46 0.35 -0.38 -0.55 8.46 7.42 1o6uE1 SER 370 HA 0.04 0.04 0.71 -0.75 4.49 4.53 1o6uE1 SER 370 HB2 -0.34 -0.04 0.05 -0.04 3.95 3.58 1o6uE1 SER 370 HB3 -0.22 0.17 0.25 -0.04 3.93 4.08 1o6uE1 PHE 371 H 0.18 0.22 0.12 -0.55 8.34 8.31 1o6uE1 PHE 371 HA -0.04 0.14 0.40 -0.75 4.62 4.36 1o6uE1 PHE 371 HB2 -0.01 0.06 0.06 -0.04 3.15 3.22 1o6uE1 PHE 371 HB3 -0.03 -0.05 0.09 -0.04 3.06 3.03 1o6uE1 PHE 371 HD2 -0.03 0.01 -0.15 -0.04 7.28 7.07 1o6uE1 PHE 371 HE2 -0.02 -0.01 -0.02 -0.04 7.38 7.29 1o6uE1 PHE 371 HZ -0.02 -0.02 -0.00 -0.04 7.32 7.24 1o6uE1 ILE 372 H 0.02 -0.05 -0.09 -0.55 8.25 7.58 1o6uE1 ILE 372 HA -0.10 0.30 1.09 -0.75 4.18 4.71 1o6uE1 ILE 372 HB -0.45 -0.05 0.10 -0.04 1.89 1.44 1o6uE1 ILE 372 HG12 0.18 0.08 -0.12 -0.04 1.49 1.59 1o6uE1 ILE 372 HG13 0.20 -0.11 -0.14 -0.04 1.21 1.12 1o6uE1 ILE 372 HG23 -0.22 0.00 -0.12 -0.04 0.93 0.55 1o6uE1 ILE 372 HD13 -0.02 0.00 -0.01 -0.04 0.88 0.81 1o6uE1 HIS 373 H -0.17 -0.03 0.06 -0.55 8.41 7.73 1o6uE1 HIS 373 HA -0.01 0.09 0.69 -0.75 4.63 4.65 1o6uE1 HIS 373 HB2 -0.00 -0.01 0.09 -0.04 3.26 3.29 1o6uE1 HIS 373 HB3 -0.00 0.14 0.09 -0.04 3.20 3.38 1o6uE1 HIS 373 HD2 0.03 -0.01 0.04 -0.04 6.97 6.99 1o6uE1 HIS 373 HE1 0.02 0.01 -0.02 -0.04 7.75 7.72 1o6uE1 ALA 374 H 0.08 0.04 0.17 -0.55 8.40 8.13 1o6uE1 ALA 374 HA -0.02 0.16 0.48 -0.75 4.34 4.21 1o6uE1 ALA 374 HB3 -0.00 -0.02 0.04 -0.04 1.41 1.39 1o6uE1 LYS 375 H -0.02 0.52 0.18 -0.55 8.42 8.54 1o6uE1 LYS 375 HA -0.01 0.14 0.85 -0.75 4.32 4.55 1o6uE1 LYS 375 HB2 -0.02 0.07 -0.30 -0.04 1.87 1.58 1o6uE1 LYS 375 HB3 -0.02 -0.09 0.03 -0.04 1.79 1.67 1o6uE1 LYS 375 HG2 0.01 -0.07 -0.27 -0.04 1.46 1.09 1o6uE1 LYS 375 HG3 0.01 0.04 -0.01 -0.04 1.46 1.45 1o6uE1 LYS 375 HD2 0.02 -0.15 -0.01 -0.04 1.69 1.51 1o6uE1 LYS 375 HD3 0.08 0.26 -0.02 -0.04 1.68 1.96 1o6uE1 LYS 375 HE2 0.02 -0.03 -0.08 -0.04 2.99 2.86 1o6uE1 LYS 375 HE3 -0.01 0.01 -0.13 -0.04 2.99 2.82 1o6uE1 LYS 376 H -0.01 0.24 0.19 -0.55 8.42 8.28 1o6uE1 LYS 376 HA -0.05 0.21 0.87 -0.75 4.32 4.60 1o6uE1 LYS 376 HB2 -0.02 -0.02 0.09 -0.04 1.87 1.88 1o6uE1 LYS 376 HB3 -0.02 -0.02 0.25 -0.04 1.79 1.96 1o6uE1 LYS 376 HG2 -0.02 -0.00 -0.04 -0.04 1.46 1.36 1o6uE1 LYS 376 HG3 -0.04 0.03 -0.25 -0.04 1.46 1.15 1o6uE1 LYS 376 HD2 -0.04 0.07 -0.10 -0.04 1.69 1.57 1o6uE1 LYS 376 HD3 -0.02 -0.03 -0.06 -0.04 1.68 1.52 1o6uE1 LYS 376 HE2 -0.04 0.01 -0.11 -0.04 2.99 2.81 1o6uE1 LYS 376 HE3 -0.03 -0.02 -0.10 -0.04 2.99 2.80 1o6uE1 VAL 377 H -0.09 0.74 0.44 -0.55 8.24 8.77 1o6uE1 VAL 377 HA -0.08 0.20 1.03 -0.75 4.13 4.53 1o6uE1 VAL 377 HB -0.32 -0.04 0.05 -0.04 2.12 1.77 1o6uE1 VAL 377 HG13 -0.64 0.01 -0.18 -0.04 0.97 0.12 1o6uE1 VAL 377 HG23 -0.11 0.01 -0.27 -0.04 0.95 0.54 1o6uE1 ASN 378 H -0.14 0.30 0.25 -0.55 8.53 8.39 1o6uE1 ASN 378 HA -0.12 0.24 1.08 -0.75 4.76 5.20 1o6uE1 ASN 378 HB2 -0.60 0.01 0.12 -0.04 2.88 2.38 1o6uE1 ASN 378 HB3 -0.27 0.03 0.07 -0.04 2.79 2.58 1o6uE1 ASN 378 HD21 -0.05 -0.02 -0.10 -0.04 7.03 6.82 1o6uE1 ASN 378 HD22 -0.15 0.08 -0.05 -0.04 7.74 7.58 1o6uE1 PHE 379 H -0.21 0.64 0.30 -0.55 8.34 8.52 1o6uE1 PHE 379 HA 0.37 0.28 0.92 -0.75 4.62 5.44 1o6uE1 PHE 379 HB2 0.45 0.03 0.05 -0.04 3.15 3.64 1o6uE1 PHE 379 HB3 0.03 0.01 -0.31 -0.04 3.06 2.75 1o6uE1 PHE 379 HD2 0.04 -0.02 -0.41 -0.04 7.28 6.85 1o6uE1 PHE 379 HE2 0.01 0.01 -0.19 -0.04 7.38 7.17 1o6uE1 PHE 379 HZ 0.09 0.02 -0.12 -0.04 7.32 7.27 1o6uE1 THR 380 H 0.65 0.64 0.39 -0.55 8.28 9.41 1o6uE1 THR 380 HA 0.36 0.07 0.86 -0.75 4.39 4.92 1o6uE1 THR 380 HB 0.22 0.04 0.17 -0.04 4.32 4.71 1o6uE1 THR 380 HG23 0.12 0.02 -0.10 -0.04 1.22 1.23 1o6uE1 VAL 381 H 0.46 0.26 0.20 -0.55 8.24 8.61 1o6uE1 VAL 381 HA 0.32 0.34 1.05 -0.75 4.13 5.09 1o6uE1 VAL 381 HB 0.39 -0.02 0.01 -0.04 2.12 2.46 1o6uE1 VAL 381 HG13 -0.20 0.00 -0.18 -0.04 0.97 0.55 1o6uE1 VAL 381 HG23 0.51 -0.03 -0.24 -0.04 0.95 1.16 1o6uE1 GLU 382 H 0.06 0.61 0.38 -0.55 8.60 9.09 1o6uE1 GLU 382 HA -0.02 0.14 0.86 -0.75 4.29 4.52 1o6uE1 GLU 382 HB2 0.03 -0.01 0.01 -0.04 2.09 2.08 1o6uE1 GLU 382 HB3 0.03 0.06 -0.01 -0.04 1.99 2.03 1o6uE1 GLU 382 HG2 0.09 0.06 -0.05 -0.04 2.34 2.40 1o6uE1 GLU 382 HG3 0.10 -0.12 -0.53 -0.04 2.34 1.74 1o6uE1 VAL 383 H 0.00 0.21 0.16 -0.55 8.24 8.06 1o6uE1 VAL 383 HA -0.03 0.16 0.83 -0.75 4.13 4.34 1o6uE1 VAL 383 HB 0.07 -0.01 0.17 -0.04 2.12 2.30 1o6uE1 VAL 383 HG13 0.04 0.01 -0.16 -0.04 0.97 0.81 1o6uE1 VAL 383 HG23 -0.00 0.01 -0.09 -0.04 0.95 0.83 1o6uE1 LEU 384 H 0.01 0.85 0.31 -0.55 8.37 9.00 1o6uE1 LEU 384 HA 0.01 0.10 0.75 -0.75 4.35 4.47 1o6uE1 LEU 384 HB2 0.01 -0.11 0.21 -0.04 1.64 1.70 1o6uE1 LEU 384 HB3 0.00 0.10 0.02 -0.04 1.64 1.72 1o6uE1 LEU 384 HG 0.01 0.09 -0.05 -0.04 1.64 1.64 1o6uE1 LEU 384 HD13 0.00 -0.01 -0.08 -0.04 0.93 0.79 1o6uE1 LEU 384 HD23 0.01 0.01 -0.15 -0.04 0.89 0.71 1o6uE1 LEU 385 H 0.02 0.17 0.16 -0.55 8.37 8.18 1o6uE1 LEU 385 HA 0.07 0.14 0.73 -0.75 4.35 4.54 1o6uE1 LEU 385 HB2 0.03 -0.01 0.02 -0.04 1.64 1.64 1o6uE1 LEU 385 HB3 0.06 0.08 0.05 -0.04 1.64 1.79 1o6uE1 LEU 385 HG 0.09 0.06 0.02 -0.04 1.64 1.76 1o6uE1 LEU 385 HD13 0.18 -0.01 0.02 -0.04 0.93 1.09 1o6uE1 LEU 385 HD23 0.22 -0.02 -0.13 -0.04 0.89 0.92 1o6uE1 PRO 386 HA -0.01 0.03 0.08 -0.51 4.44 4.03 1o6uE1 PRO 386 HB2 -0.02 -0.02 -0.18 -0.04 2.28 2.03 1o6uE1 PRO 386 HB3 0.01 0.02 -0.06 -0.04 2.02 1.95 1o6uE1 PRO 386 HG2 0.05 0.18 -0.10 -0.04 2.03 2.12 1o6uE1 PRO 386 HG3 0.04 0.16 -0.21 -0.04 2.03 1.98 1o6uE1 PRO 386 HD2 0.02 0.04 0.10 -0.04 3.68 3.80 1o6uE1 PRO 386 HD3 0.08 0.11 0.11 -0.04 3.65 3.92 1o6uE1 ASP 387 H -0.01 0.33 0.04 -0.55 8.40 8.22 1o6uE1 ASP 387 HA -0.02 0.10 0.60 -0.75 4.63 4.55 1o6uE1 ASP 387 HB2 0.06 0.10 0.13 -0.04 2.71 2.96 1o6uE1 ASP 387 HB3 0.09 -0.02 0.23 -0.04 2.70 2.96 1o6uE1 LYS 388 H -0.06 0.21 0.15 -0.55 8.42 8.17 1o6uE1 LYS 388 HA -0.05 0.10 0.32 -0.75 4.32 3.94 1o6uE1 LYS 388 HB2 -0.06 -0.04 0.12 -0.04 1.87 1.86 1o6uE1 LYS 388 HB3 -0.07 0.03 0.00 -0.04 1.79 1.72 1o6uE1 LYS 388 HG2 -0.20 0.05 0.01 -0.04 1.46 1.28 1o6uE1 LYS 388 HG3 -0.16 0.05 0.10 -0.04 1.46 1.41 1o6uE1 LYS 388 HD2 -0.14 -0.01 0.02 -0.04 1.69 1.52 1o6uE1 LYS 388 HD3 -0.15 0.00 0.01 -0.04 1.68 1.49 1o6uE1 LYS 388 HE2 -0.69 0.02 0.01 -0.04 2.99 2.28 1o6uE1 LYS 388 HE3 -0.47 0.01 0.02 -0.04 2.99 2.52 1o6uE1 ALA 389 H -0.00 0.10 -0.08 -0.55 8.40 7.87 1o6uE1 ALA 389 HA -0.00 0.08 0.37 -0.75 4.34 4.03 1o6uE1 ALA 389 HB3 0.01 0.02 0.03 -0.04 1.41 1.44 1o6uE1 SER 390 H 0.03 0.03 -0.46 -0.55 8.46 7.51 1o6uE1 SER 390 HA 0.03 0.12 0.38 -0.75 4.49 4.27 1o6uE1 SER 390 HB2 0.03 0.08 0.13 -0.04 3.95 4.16 1o6uE1 SER 390 HB3 0.12 0.01 -0.07 -0.04 3.93 3.95 1o6uE1 GLU 391 H 0.02 0.37 -0.07 -0.55 8.60 8.38 1o6uE1 GLU 391 HA 0.05 0.02 0.36 -0.75 4.29 3.97 1o6uE1 GLU 391 HB2 -0.00 0.05 0.14 -0.04 2.09 2.24 1o6uE1 GLU 391 HB3 0.02 0.00 -0.04 -0.04 1.99 1.92 1o6uE1 GLU 391 HG2 0.03 0.00 0.00 -0.04 2.34 2.34 1o6uE1 GLU 391 HG3 0.01 0.01 -0.11 -0.04 2.34 2.21 1o6uE1 GLU 392 H 0.01 0.41 -0.16 -0.55 8.60 8.31 1o6uE1 GLU 392 HA 0.01 0.00 0.39 -0.75 4.29 3.94 1o6uE1 GLU 392 HB2 0.00 0.06 0.11 -0.04 2.09 2.23 1o6uE1 GLU 392 HB3 0.01 -0.04 -0.06 -0.04 1.99 1.86 1o6uE1 GLU 392 HG2 -0.00 0.01 0.02 -0.04 2.34 2.33 1o6uE1 GLU 392 HG3 -0.00 -0.09 -0.03 -0.04 2.34 2.18 1o6uE1 LYS 393 H 0.02 0.44 -0.20 -0.55 8.42 8.12 1o6uE1 LYS 393 HA 0.01 -0.06 0.20 -0.75 4.32 3.72 1o6uE1 LYS 393 HB2 0.01 0.12 0.17 -0.04 1.87 2.12 1o6uE1 LYS 393 HB3 0.02 0.07 0.14 -0.04 1.79 1.98 1o6uE1 LYS 393 HG2 -0.00 -0.09 0.07 -0.04 1.46 1.40 1o6uE1 LYS 393 HG3 -0.01 -0.01 0.07 -0.04 1.46 1.47 1o6uE1 LYS 393 HD2 -0.01 0.00 0.07 -0.04 1.69 1.71 1o6uE1 LYS 393 HD3 0.00 0.00 0.15 -0.04 1.68 1.79 1o6uE1 LYS 393 HE2 -0.01 0.09 0.15 -0.04 2.99 3.19 1o6uE1 LYS 393 HE3 0.01 0.05 0.12 -0.04 2.99 3.12 1o6uE1 LYS 395 HA 0.02 -0.17 0.28 -0.75 4.32 3.70 1o6uE1 LYS 395 HB2 0.02 0.02 0.11 -0.04 1.87 1.98 1o6uE1 LYS 395 HB3 0.02 0.09 0.03 -0.04 1.79 1.89 1o6uE1 LYS 395 HG2 0.02 -0.03 -0.03 -0.04 1.46 1.38 1o6uE1 LYS 395 HG3 0.02 -0.06 0.10 -0.04 1.46 1.48 1o6uE1 LYS 395 HD2 0.02 -0.08 0.00 -0.04 1.69 1.59 1o6uE1 LYS 395 HD3 0.02 -0.01 -0.00 -0.04 1.68 1.64 1o6uE1 LYS 395 HE2 0.02 0.09 -0.01 -0.04 2.99 3.05 1o6uE1 LYS 395 HE3 0.02 -0.02 -0.03 -0.04 2.99 2.91 1o6uE1 GLN 396 H 0.02 0.45 -0.12 -0.55 8.47 8.26 1o6uE1 GLN 396 HA 0.02 -0.06 0.77 -0.75 4.36 4.33 1o6uE1 GLN 396 HB2 0.01 -0.17 0.09 -0.04 2.15 2.05 1o6uE1 GLN 396 HB3 0.01 -0.18 -0.04 -0.04 2.02 1.77 1o6uE1 GLN 396 HG2 0.01 0.15 -0.08 -0.04 2.40 2.45 1o6uE1 GLN 396 HG3 0.01 0.57 0.20 -0.04 2.39 3.13 1o6uE1 GLN 396 HE21 0.01 -0.14 -0.04 -0.04 6.97 6.76 1o6uE1 GLN 396 HE22 0.01 0.05 -0.12 -0.04 7.69 7.59