============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 82 rings ring int. center anis. iso. TYR 3 0.840 40.737 46.172 61.973 -99.200 -91.000 PHE 7 1.000 44.350 51.944 54.812 -99.200 -91.000 PHE 35 1.000 29.498 64.300 56.284 -99.200 -91.000 TRP 41 1.040 37.711 53.545 52.542 -99.200 -91.000 TRP6 41 1.020 36.174 51.921 53.406 -99.200 -91.000 PHE 42 1.000 45.777 56.896 57.426 -99.200 -91.000 TYR 51 0.840 36.517 81.959 63.356 -99.200 -91.000 PHE 61 1.000 44.738 89.997 48.902 -99.200 -91.000 TRP 66 1.040 55.371 83.361 48.954 -99.200 -91.000 TRP6 66 1.020 55.040 81.023 49.179 -99.200 -91.000 PHE 67 1.000 51.180 78.642 44.375 -99.200 -91.000 PHE 68 1.000 47.075 83.448 42.744 -99.200 -91.000 TRP 73 1.040 60.897 85.458 38.072 -99.200 -91.000 TRP6 73 1.020 61.503 87.433 36.901 -99.200 -91.000 PHE 74 1.000 58.501 79.637 39.453 -99.200 -91.000 TRP 75 1.040 52.191 81.343 34.219 -99.200 -91.000 TRP6 75 1.020 51.579 79.941 32.405 -99.200 -91.000 TYR 76 0.840 59.798 88.334 32.265 -99.200 -91.000 TRP 80 1.040 54.542 86.265 29.079 -99.200 -91.000 TRP6 80 1.020 53.668 86.549 31.265 -99.200 -91.000 PHE 85 1.000 53.749 77.439 34.847 -99.200 -91.000 PHE 90 1.000 59.534 69.829 40.083 -99.200 -91.000 PHE 91 1.000 65.130 72.128 35.223 -99.200 -91.000 PHE 92 1.000 59.944 78.282 34.481 -99.200 -91.000 TYR 101 0.840 70.120 96.640 43.350 -99.200 -91.000 PHE 105 1.000 62.375 97.192 51.615 -99.200 -91.000 TRP 115 1.040 63.399 86.690 47.209 -99.200 -91.000 TRP6 115 1.020 63.878 87.873 49.205 -99.200 -91.000 PHE 120 1.000 54.142 93.668 52.982 -99.200 -91.000 PHE 121 1.000 51.683 90.692 48.223 -99.200 -91.000 PHE 123 1.000 57.271 89.765 58.488 -99.200 -91.000 TRP 127 1.040 55.741 86.933 61.474 -99.200 -91.000 TRP6 127 1.020 56.090 86.086 63.674 -99.200 -91.000 TRP 129 1.040 47.948 79.304 59.469 -99.200 -91.000 TRP6 129 1.020 45.919 79.285 58.207 -99.200 -91.000 TRP 130 1.040 52.391 82.372 66.238 -99.200 -91.000 TRP6 130 1.020 51.960 84.218 67.668 -99.200 -91.000 TYR 134 0.840 47.675 83.504 71.804 -99.200 -91.000 HIS 145 0.900 50.175 73.438 75.680 -99.200 -91.000 TRP 148 1.040 53.319 79.073 73.721 -99.200 -91.000 TRP6 148 1.020 53.311 81.343 73.029 -99.200 -91.000 PHE 150 1.000 52.722 78.529 62.315 -99.200 -91.000 TRP 155 1.040 64.790 79.973 65.913 -99.200 -91.000 TRP6 155 1.020 65.791 82.119 66.255 -99.200 -91.000 TRP 157 1.040 59.296 81.870 56.678 -99.200 -91.000 TRP6 157 1.020 58.137 83.582 57.853 -99.200 -91.000 PHE 162 1.000 62.695 90.638 58.834 -99.200 -91.000 TRP 171 1.040 66.558 93.053 51.522 -99.200 -91.000 TRP6 171 1.020 65.590 92.325 53.571 -99.200 -91.000 TYR 177 0.840 60.245 83.406 47.897 -99.200 -91.000 PHE 180 1.000 64.811 70.304 39.940 -99.200 -91.000 HIS 182 0.900 63.706 74.476 48.250 -99.200 -91.000 TRP 185 1.040 70.216 79.931 49.784 -99.200 -91.000 TRP6 185 1.020 69.900 79.160 52.004 -99.200 -91.000 PHE 189 1.000 73.714 78.680 55.331 -99.200 -91.000 HIS 193 0.900 77.723 79.743 55.666 -99.200 -91.000 PHE 197 1.000 76.671 65.822 57.301 -99.200 -91.000 TYR 198 0.840 83.612 69.283 59.925 -99.200 -91.000 PHE 201 1.000 73.508 75.450 68.748 -99.200 -91.000 HIS 202 0.900 73.221 70.115 59.314 -99.200 -91.000 PHE 208 1.000 66.955 67.428 69.598 -99.200 -91.000 TYR 210 0.840 68.758 60.969 61.103 -99.200 -91.000 PHE 216 1.000 53.050 61.119 65.235 -99.200 -91.000 HIS 219 0.900 51.890 58.522 71.300 -99.200 -91.000 PHE 229 1.000 43.781 46.123 75.664 -99.200 -91.000 PHE 251 1.000 56.533 47.156 73.393 -99.200 -91.000 TRP 252 1.040 56.875 51.943 74.567 -99.200 -91.000 TRP6 252 1.020 58.519 51.414 72.937 -99.200 -91.000 TRP 254 1.040 57.211 44.676 81.813 -99.200 -91.000 TRP6 254 1.020 55.362 43.236 81.406 -99.200 -91.000 PHE 258 1.000 63.302 55.569 79.266 -99.200 -91.000 HIS 266 0.900 50.038 62.641 73.784 -99.200 -91.000 TRP 268 1.040 59.336 61.763 77.076 -99.200 -91.000 TRP6 268 1.020 61.696 61.993 77.220 -99.200 -91.000 TRP 271 1.040 59.334 70.471 75.447 -99.200 -91.000 TRP6 271 1.020 60.402 72.583 75.072 -99.200 -91.000 TRP 294 1.040 79.177 76.269 61.101 -99.200 -91.000 TRP6 294 1.020 78.816 76.760 63.389 -99.200 -91.000 TYR 295 0.840 88.380 71.196 59.085 -99.200 -91.000 TRP 297 1.040 82.977 77.463 66.507 -99.200 -91.000 TRP6 297 1.020 81.875 75.525 67.335 -99.200 -91.000 HIS 301 0.900 83.340 73.464 71.190 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bozM1 ALA 1 HA 0.01 -0.07 0.14 -0.75 4.34 3.67 2bozM1 ALA 1 HB3 0.01 -0.02 0.02 -0.04 1.41 1.39 2bozM1 GLU 2 H 0.01 0.06 0.08 -0.55 8.60 8.20 2bozM1 GLU 2 HA 0.05 0.03 0.74 -0.75 4.29 4.35 2bozM1 GLU 2 HB2 0.02 -0.01 0.14 -0.04 2.09 2.19 2bozM1 GLU 2 HB3 0.01 -0.05 0.14 -0.04 1.99 2.05 2bozM1 GLU 2 HG2 -0.02 -0.03 -0.23 -0.04 2.34 2.02 2bozM1 GLU 2 HG3 -0.02 0.12 -0.02 -0.04 2.34 2.38 2bozM1 TYR 3 H 0.16 0.10 0.17 -0.55 8.29 8.17 2bozM1 TYR 3 HA 0.00 0.06 0.59 -0.75 4.56 4.45 2bozM1 TYR 3 HB2 -0.00 0.07 0.15 -0.04 3.06 3.24 2bozM1 TYR 3 HB3 -0.01 0.00 0.14 -0.04 2.98 3.07 2bozM1 TYR 3 HD2 0.00 0.06 0.03 -0.04 7.15 7.19 2bozM1 TYR 3 HE2 0.03 0.14 0.04 -0.04 6.85 7.02 2bozM1 GLN 4 H -0.50 0.06 0.18 -0.55 8.47 7.66 2bozM1 GLN 4 HA -0.28 0.31 0.86 -0.75 4.36 4.49 2bozM1 GLN 4 HB2 -0.18 -0.08 0.08 -0.04 2.15 1.92 2bozM1 GLN 4 HB3 -0.18 0.02 0.08 -0.04 2.02 1.91 2bozM1 GLN 4 HG2 -0.07 0.08 -0.06 -0.04 2.40 2.30 2bozM1 GLN 4 HG3 -0.08 -0.02 -0.02 -0.04 2.39 2.23 2bozM1 GLN 4 HE21 -0.08 -0.01 -0.05 -0.04 6.97 6.79 2bozM1 GLN 4 HE22 -0.12 -0.04 0.01 -0.04 7.69 7.50 2bozM1 ASN 5 H -1.92 0.03 0.03 -0.55 8.53 6.12 2bozM1 ASN 5 HA -0.38 0.06 0.26 -0.75 4.76 3.95 2bozM1 ASN 5 HB2 -0.27 -0.04 -0.26 -0.04 2.88 2.27 2bozM1 ASN 5 HB3 -0.19 0.13 0.16 -0.04 2.79 2.84 2bozM1 ASN 5 HD21 0.01 -0.04 -0.00 -0.04 7.03 6.96 2bozM1 ASN 5 HD22 -0.05 -0.00 0.00 -0.04 7.74 7.65 2bozM1 ILE 6 H -0.26 -0.08 -0.31 -0.55 8.25 7.06 2bozM1 ILE 6 HA -0.26 0.18 0.80 -0.75 4.18 4.14 2bozM1 ILE 6 HB -0.21 -0.08 0.07 -0.04 1.89 1.63 2bozM1 ILE 6 HG12 -0.16 -0.01 0.01 -0.04 1.49 1.29 2bozM1 ILE 6 HG13 -0.19 0.10 -0.16 -0.04 1.21 0.92 2bozM1 ILE 6 HG23 -0.52 0.00 -0.06 -0.04 0.93 0.31 2bozM1 ILE 6 HD13 -0.12 -0.02 -0.04 -0.04 0.88 0.66 2bozM1 PHE 7 H 0.08 -0.01 0.07 -0.55 8.34 7.94 2bozM1 PHE 7 HA 0.21 0.43 0.89 -0.75 4.62 5.40 2bozM1 PHE 7 HB2 0.12 -0.12 0.00 -0.04 3.15 3.11 2bozM1 PHE 7 HB3 0.22 0.10 0.06 -0.04 3.06 3.41 2bozM1 PHE 7 HD2 0.22 0.05 -0.16 -0.04 7.28 7.34 2bozM1 PHE 7 HE2 0.07 -0.03 -0.07 -0.04 7.38 7.31 2bozM1 PHE 7 HZ -0.01 -0.03 -0.06 -0.04 7.32 7.18 2bozM1 SER 8 H 0.49 0.67 0.25 -0.55 8.46 9.32 2bozM1 SER 8 HA 0.30 -0.01 0.54 -0.75 4.49 4.57 2bozM1 SER 8 HB2 0.30 0.04 -0.01 -0.04 3.95 4.23 2bozM1 SER 8 HB3 0.16 -0.04 -0.02 -0.04 3.93 4.00 2bozM1 GLN 9 H 0.08 0.09 0.20 -0.55 8.47 8.29 2bozM1 GLN 9 HA 0.16 0.15 0.65 -0.75 4.36 4.57 2bozM1 GLN 9 HB2 -0.09 -0.02 0.09 -0.04 2.15 2.08 2bozM1 GLN 9 HB3 -0.04 0.01 0.07 -0.04 2.02 2.01 2bozM1 GLN 9 HG2 -0.14 0.03 0.02 -0.04 2.40 2.27 2bozM1 GLN 9 HG3 -0.57 -0.02 0.12 -0.04 2.39 1.88 2bozM1 GLN 9 HE21 -0.48 0.01 0.04 -0.04 6.97 6.50 2bozM1 GLN 9 HE22 -1.06 -0.01 0.06 -0.04 7.69 6.64 2bozM1 VAL 10 H 0.09 0.14 0.03 -0.55 8.24 7.95 2bozM1 VAL 10 HA 0.12 0.18 0.86 -0.75 4.13 4.54 2bozM1 VAL 10 HB 0.01 -0.04 0.03 -0.04 2.12 2.08 2bozM1 VAL 10 HG13 -0.00 0.02 -0.11 -0.04 0.97 0.84 2bozM1 VAL 10 HG23 0.01 -0.01 -0.16 -0.04 0.95 0.75 2bozM1 GLN 11 H -0.07 0.18 0.11 -0.55 8.47 8.15 2bozM1 GLN 11 HA -0.09 0.20 0.89 -0.75 4.36 4.61 2bozM1 GLN 11 HB2 -0.32 -0.05 -0.01 -0.04 2.15 1.73 2bozM1 GLN 11 HB3 -0.23 -0.00 -0.06 -0.04 2.02 1.69 2bozM1 GLN 11 HG2 -0.27 0.20 -0.14 -0.04 2.40 2.15 2bozM1 GLN 11 HG3 -0.64 -0.03 -0.27 -0.04 2.39 1.40 2bozM1 GLN 11 HE21 -1.75 0.29 -0.05 -0.04 6.97 5.42 2bozM1 GLN 11 HE22 -3.34 0.02 -0.21 -0.04 7.69 4.12 2bozM1 VAL 12 H -0.08 0.30 0.19 -0.55 8.24 8.10 2bozM1 VAL 12 HA -0.08 0.12 0.74 -0.75 4.13 4.16 2bozM1 VAL 12 HB -0.04 0.01 -0.16 -0.04 2.12 1.88 2bozM1 VAL 12 HG13 -0.04 -0.00 -0.10 -0.04 0.97 0.79 2bozM1 VAL 12 HG23 -0.04 0.02 -0.04 -0.04 0.95 0.84 2bozM1 ARG 13 H -0.11 0.27 0.15 -0.55 8.46 8.22 2bozM1 ARG 13 HA -0.13 0.12 0.85 -0.75 4.34 4.42 2bozM1 ARG 13 HB2 -0.24 -0.01 -0.15 -0.04 1.90 1.45 2bozM1 ARG 13 HB3 -0.23 -0.01 0.03 -0.04 1.80 1.56 2bozM1 ARG 13 HG2 -0.45 0.15 -0.19 -0.04 1.67 1.13 2bozM1 ARG 13 HG3 -0.63 -0.04 0.04 -0.04 1.67 1.00 2bozM1 ARG 13 HD2 -1.08 -0.07 -0.06 -0.04 3.22 1.97 2bozM1 ARG 13 HD3 -0.42 -0.02 -0.07 -0.04 3.22 2.66 2bozM1 GLY 14 H -0.10 0.13 0.07 -0.55 8.43 7.99 2bozM1 GLY 14 HA2 -0.07 0.18 0.82 -0.51 4.01 4.42 2bozM1 GLY 14 HA3 -0.04 0.04 0.30 -0.51 4.01 3.81 2bozM1 PRO 15 HA 0.01 0.03 0.40 -0.51 4.44 4.37 2bozM1 PRO 15 HB2 0.02 0.07 -0.03 -0.04 2.28 2.30 2bozM1 PRO 15 HB3 0.01 0.02 0.11 -0.04 2.02 2.12 2bozM1 PRO 15 HG2 -0.00 0.04 0.07 -0.04 2.03 2.10 2bozM1 PRO 15 HG3 -0.01 0.04 0.09 -0.04 2.03 2.11 2bozM1 PRO 15 HD2 -0.01 0.10 0.15 -0.04 3.68 3.88 2bozM1 PRO 15 HD3 -0.02 0.12 0.22 -0.04 3.65 3.92 2bozM1 ALA 16 H 0.12 0.07 0.16 -0.55 8.40 8.20 2bozM1 ALA 16 HA 0.31 0.02 0.38 -0.75 4.34 4.30 2bozM1 ALA 16 HB3 0.11 0.02 0.07 -0.04 1.41 1.57 2bozM1 ASP 17 H 0.09 0.12 0.14 -0.55 8.40 8.20 2bozM1 ASP 17 HA 0.03 0.09 0.57 -0.75 4.63 4.57 2bozM1 ASP 17 HB2 0.05 0.03 0.12 -0.04 2.71 2.87 2bozM1 ASP 17 HB3 0.02 0.04 0.19 -0.04 2.70 2.91 2bozM1 LEU 18 H 0.01 0.20 0.20 -0.55 8.37 8.23 2bozM1 LEU 18 HA -0.01 0.14 0.46 -0.75 4.35 4.19 2bozM1 LEU 18 HB2 0.00 -0.01 0.08 -0.04 1.64 1.67 2bozM1 LEU 18 HB3 -0.00 0.03 0.08 -0.04 1.64 1.71 2bozM1 LEU 18 HG 0.01 0.09 -0.01 -0.04 1.64 1.69 2bozM1 LEU 18 HD13 -0.00 -0.01 0.00 -0.04 0.93 0.88 2bozM1 LEU 18 HD23 -0.01 -0.00 -0.17 -0.04 0.89 0.67 2bozM1 GLY 19 H -0.00 -0.06 -0.18 -0.55 8.43 7.65 2bozM1 GLY 19 HA2 -0.01 -0.05 0.21 -0.51 4.01 3.65 2bozM1 GLY 19 HA3 -0.01 0.23 0.46 -0.51 4.01 4.17 2bozM1 MET 20 H -0.03 0.10 0.12 -0.55 8.47 8.11 2bozM1 MET 20 HA -0.02 0.04 0.55 -0.75 4.52 4.33 2bozM1 MET 20 HB2 -0.04 0.04 0.08 -0.04 2.15 2.19 2bozM1 MET 20 HB3 -0.03 -0.03 0.05 -0.04 2.03 1.98 2bozM1 MET 20 HG2 -0.03 -0.03 0.05 -0.04 2.63 2.58 2bozM1 MET 20 HG3 -0.03 0.03 0.03 -0.04 2.56 2.55 2bozM1 MET 20 HE3 -0.02 -0.00 0.05 -0.04 2.10 2.08 2bozM1 THR 21 H -0.02 0.04 0.19 -0.55 8.28 7.93 2bozM1 THR 21 HA -0.01 0.18 0.59 -0.75 4.39 4.38 2bozM1 THR 21 HB -0.01 -0.08 0.19 -0.04 4.32 4.37 2bozM1 THR 21 HG23 -0.01 0.05 -0.04 -0.04 1.22 1.18 2bozM1 GLU 22 H -0.03 -0.05 0.11 -0.55 8.60 8.09 2bozM1 GLU 22 HA -0.03 -0.00 0.33 -0.75 4.29 3.84 2bozM1 GLU 22 HB2 -0.06 0.16 0.21 -0.04 2.09 2.37 2bozM1 GLU 22 HB3 -0.05 0.04 0.21 -0.04 1.99 2.15 2bozM1 GLU 22 HG2 -0.04 -0.16 -0.11 -0.04 2.34 1.98 2bozM1 GLU 22 HG3 -0.06 0.14 0.06 -0.04 2.34 2.45 2bozM1 ASP 23 H -0.05 0.57 0.37 -0.55 8.40 8.74 2bozM1 ASP 23 HA -0.03 0.15 0.83 -0.75 4.63 4.83 2bozM1 ASP 23 HB2 -0.06 0.11 0.20 -0.04 2.71 2.93 2bozM1 ASP 23 HB3 -0.04 -0.09 0.21 -0.04 2.70 2.75 2bozM1 VAL 24 H -0.05 0.56 -0.06 -0.55 8.24 8.14 2bozM1 VAL 24 HA -0.08 -0.06 0.55 -0.75 4.13 3.78 2bozM1 VAL 24 HB -0.02 0.15 0.08 -0.04 2.12 2.30 2bozM1 VAL 24 HG13 0.04 -0.05 -0.29 -0.04 0.97 0.64 2bozM1 VAL 24 HG23 -0.13 0.00 -0.08 -0.04 0.95 0.69 2bozM1 ASN 25 H 0.09 0.11 0.16 -0.55 8.53 8.35 2bozM1 ASN 25 HA 0.04 0.12 0.74 -0.75 4.76 4.91 2bozM1 ASN 25 HB2 0.07 0.11 0.16 -0.04 2.88 3.18 2bozM1 ASN 25 HB3 0.19 -0.04 0.23 -0.04 2.79 3.13 2bozM1 ASN 25 HD21 0.01 0.02 0.02 -0.04 7.03 7.03 2bozM1 ASN 25 HD22 0.04 0.02 0.05 -0.04 7.74 7.81 2bozM1 LEU 26 H 0.03 0.32 0.13 -0.55 8.37 8.30 2bozM1 LEU 26 HA 0.05 0.10 0.21 -0.75 4.35 3.95 2bozM1 LEU 26 HB2 0.01 -0.04 0.08 -0.04 1.64 1.65 2bozM1 LEU 26 HB3 0.00 0.04 0.06 -0.04 1.64 1.70 2bozM1 LEU 26 HG 0.01 0.15 0.05 -0.04 1.64 1.81 2bozM1 LEU 26 HD13 0.00 -0.01 0.00 -0.04 0.93 0.88 2bozM1 LEU 26 HD23 0.02 -0.00 -0.08 -0.04 0.89 0.78 2bozM1 ALA 27 H -0.00 0.02 -0.38 -0.55 8.40 7.49 2bozM1 ALA 27 HA -0.03 0.13 0.42 -0.75 4.34 4.10 2bozM1 ALA 27 HB3 -0.03 -0.01 0.04 -0.04 1.41 1.38 2bozM1 ASN 28 H -0.09 0.44 -0.24 -0.55 8.53 8.09 2bozM1 ASN 28 HA -0.24 0.13 0.71 -0.75 4.76 4.61 2bozM1 ASN 28 HB2 -0.70 0.19 0.08 -0.04 2.88 2.41 2bozM1 ASN 28 HB3 -1.08 -0.19 0.11 -0.04 2.79 1.60 2bozM1 ASN 28 HD21 -0.03 -0.01 0.06 -0.04 7.03 7.00 2bozM1 ASN 28 HD22 0.05 0.06 0.06 -0.04 7.74 7.86 2bozM1 ARG 29 H -0.09 0.42 -0.36 -0.55 8.46 7.88 2bozM1 ARG 29 HA -0.09 0.14 1.02 -0.75 4.34 4.65 2bozM1 ARG 29 HB2 -0.01 0.11 0.12 -0.04 1.90 2.08 2bozM1 ARG 29 HB3 -0.00 0.11 -0.03 -0.04 1.80 1.84 2bozM1 ARG 29 HG2 0.14 -0.07 -0.15 -0.04 1.67 1.55 2bozM1 ARG 29 HG3 0.15 -0.09 -0.14 -0.04 1.67 1.54 2bozM1 ARG 29 HD2 0.04 -0.01 -0.05 -0.04 3.22 3.15 2bozM1 ARG 29 HD3 0.03 0.08 -0.07 -0.04 3.22 3.21 2bozM1 SER 30 H -0.05 0.53 0.29 -0.55 8.46 8.68 2bozM1 SER 30 HA -0.05 0.05 0.48 -0.75 4.49 4.22 2bozM1 SER 30 HB2 -0.03 -0.05 0.18 -0.04 3.95 4.00 2bozM1 SER 30 HB3 -0.04 -0.02 0.16 -0.04 3.93 3.98 2bozM1 GLY 31 H -0.03 0.04 0.14 -0.55 8.43 8.03 2bozM1 GLY 31 HA2 -0.03 0.15 0.75 -0.51 4.01 4.38 2bozM1 GLY 31 HA3 -0.03 0.03 0.36 -0.51 4.01 3.86 2bozM1 VAL 32 H -0.04 0.06 0.09 -0.55 8.24 7.80 2bozM1 VAL 32 HA -0.10 0.01 0.44 -0.75 4.13 3.73 2bozM1 VAL 32 HB -0.06 -0.10 0.09 -0.04 2.12 2.00 2bozM1 VAL 32 HG13 -0.15 0.13 -0.10 -0.04 0.97 0.81 2bozM1 VAL 32 HG23 -0.19 0.05 -0.10 -0.04 0.95 0.66 2bozM1 GLY 33 H -0.14 0.52 0.02 -0.55 8.43 8.28 2bozM1 GLY 33 HA2 -0.07 0.10 0.65 -0.51 4.01 4.17 2bozM1 GLY 33 HA3 -0.09 -0.04 0.24 -0.51 4.01 3.60 2bozM1 PRO 34 HA -0.05 0.08 0.59 -0.51 4.44 4.55 2bozM1 PRO 34 HB2 0.01 0.10 0.01 -0.04 2.28 2.36 2bozM1 PRO 34 HB3 -0.00 0.02 0.07 -0.04 2.02 2.06 2bozM1 PRO 34 HG2 -0.03 0.02 0.02 -0.04 2.03 2.00 2bozM1 PRO 34 HG3 -0.01 0.03 0.05 -0.04 2.03 2.06 2bozM1 PRO 34 HD2 -0.06 0.05 0.17 -0.04 3.68 3.80 2bozM1 PRO 34 HD3 -0.04 0.13 0.16 -0.04 3.65 3.85 2bozM1 PHE 35 H 0.19 0.10 0.15 -0.55 8.34 8.23 2bozM1 PHE 35 HA -0.03 0.21 0.66 -0.75 4.62 4.71 2bozM1 PHE 35 HB2 -0.03 -0.03 0.08 -0.04 3.15 3.13 2bozM1 PHE 35 HB3 -0.05 -0.02 -0.12 -0.04 3.06 2.82 2bozM1 PHE 35 HD2 -0.03 -0.05 -0.08 -0.04 7.28 7.08 2bozM1 PHE 35 HE2 -0.02 -0.02 -0.00 -0.04 7.38 7.29 2bozM1 PHE 35 HZ -0.02 -0.05 -0.03 -0.04 7.32 7.18 2bozM1 SER 36 H 0.07 0.90 0.26 -0.55 8.46 9.15 2bozM1 SER 36 HA 0.03 0.13 0.93 -0.75 4.49 4.83 2bozM1 SER 36 HB2 0.02 0.11 0.01 -0.04 3.95 4.04 2bozM1 SER 36 HB3 0.02 0.17 0.21 -0.04 3.93 4.30 2bozM1 THR 37 H -0.01 0.28 0.03 -0.55 8.28 8.03 2bozM1 THR 37 HA -0.25 0.09 0.45 -0.75 4.39 3.92 2bozM1 THR 37 HB -0.03 -0.01 0.08 -0.04 4.32 4.32 2bozM1 THR 37 HG23 -0.24 0.02 -0.08 -0.04 1.22 0.88 2bozM1 LEU 38 H 0.02 0.05 -0.22 -0.55 8.37 7.67 2bozM1 LEU 38 HA 0.28 0.12 0.33 -0.75 4.35 4.33 2bozM1 LEU 38 HB2 0.10 0.02 0.07 -0.04 1.64 1.79 2bozM1 LEU 38 HB3 0.07 -0.06 0.09 -0.04 1.64 1.69 2bozM1 LEU 38 HG 0.10 0.04 -0.23 -0.04 1.64 1.51 2bozM1 LEU 38 HD13 0.13 0.01 -0.00 -0.04 0.93 1.02 2bozM1 LEU 38 HD23 0.05 0.00 -0.02 -0.04 0.89 0.88 2bozM1 LEU 39 H 0.04 0.05 -0.16 -0.55 8.37 7.76 2bozM1 LEU 39 HA 0.14 0.05 0.37 -0.75 4.35 4.15 2bozM1 LEU 39 HB2 0.04 0.07 0.12 -0.04 1.64 1.83 2bozM1 LEU 39 HB3 0.08 0.11 -0.01 -0.04 1.64 1.79 2bozM1 LEU 39 HG 0.05 -0.10 0.02 -0.04 1.64 1.57 2bozM1 LEU 39 HD13 0.03 0.01 -0.01 -0.04 0.93 0.92 2bozM1 LEU 39 HD23 0.07 -0.00 -0.00 -0.04 0.89 0.92 2bozM1 GLY 40 H -0.07 0.32 -0.41 -0.55 8.43 7.73 2bozM1 GLY 40 HA2 -0.02 0.24 0.21 -0.51 4.01 3.92 2bozM1 GLY 40 HA3 -0.20 -0.07 0.20 -0.51 4.01 3.43 2bozM1 TRP 41 H -0.00 0.38 -0.40 -0.55 7.97 7.40 2bozM1 TRP 41 HA 0.13 0.04 0.60 -0.75 4.62 4.64 2bozM1 TRP 41 HB2 0.07 0.09 0.09 -0.04 3.23 3.45 2bozM1 TRP 41 HB3 0.06 -0.07 0.08 -0.04 3.23 3.26 2bozM1 TRP 41 HD1 -0.03 0.02 0.10 -0.04 7.22 7.27 2bozM1 TRP 41 HE1 -0.02 -0.11 -0.10 -0.04 10.20 9.92 2bozM1 TRP 41 HE3 0.07 0.11 0.02 -0.04 7.59 7.76 2bozM1 TRP 41 HZ2 -0.01 -0.06 -0.04 -0.04 7.44 7.28 2bozM1 TRP 41 HZ3 0.02 0.11 -0.26 -0.04 7.13 6.96 2bozM1 TRP 41 HH2 -0.01 -0.02 -0.02 -0.04 7.19 7.10 2bozM1 PHE 42 H 0.40 0.34 -0.21 -0.55 8.34 8.31 2bozM1 PHE 42 HA 0.25 0.21 0.82 -0.75 4.62 5.15 2bozM1 PHE 42 HB2 0.43 -0.06 -0.03 -0.04 3.15 3.44 2bozM1 PHE 42 HB3 0.18 0.02 0.14 -0.04 3.06 3.35 2bozM1 PHE 42 HD2 -0.06 0.02 -0.03 -0.04 7.28 7.17 2bozM1 PHE 42 HE2 -0.15 -0.04 0.00 -0.04 7.38 7.15 2bozM1 PHE 42 HZ -0.09 -0.04 0.01 -0.04 7.32 7.16 2bozM1 GLY 43 H 0.23 0.58 0.20 -0.55 8.43 8.89 2bozM1 GLY 43 HA2 -0.02 0.15 0.72 -0.51 4.01 4.34 2bozM1 GLY 43 HA3 0.07 -0.06 0.33 -0.51 4.01 3.85 2bozM1 ASN 44 H 0.03 0.08 0.12 -0.55 8.53 8.21 2bozM1 ASN 44 HA 0.02 0.07 0.62 -0.75 4.76 4.72 2bozM1 ASN 44 HB2 0.02 0.04 0.10 -0.04 2.88 3.01 2bozM1 ASN 44 HB3 0.03 -0.07 0.04 -0.04 2.79 2.75 2bozM1 ASN 44 HD21 0.01 -0.00 0.03 -0.04 7.03 7.03 2bozM1 ASN 44 HD22 0.01 0.03 0.05 -0.04 7.74 7.79 2bozM1 ALA 45 H 0.05 0.10 0.19 -0.55 8.40 8.20 2bozM1 ALA 45 HA 0.03 0.19 0.62 -0.75 4.34 4.43 2bozM1 ALA 45 HB3 0.06 -0.03 -0.04 -0.04 1.41 1.35 2bozM1 GLN 46 H 0.09 -0.01 0.01 -0.55 8.47 8.01 2bozM1 GLN 46 HA -0.36 0.01 0.43 -0.75 4.36 3.69 2bozM1 GLN 46 HB2 0.14 -0.08 0.09 -0.04 2.15 2.26 2bozM1 GLN 46 HB3 -0.01 -0.01 0.06 -0.04 2.02 2.02 2bozM1 GLN 46 HG2 -0.18 0.25 -0.35 -0.04 2.40 2.08 2bozM1 GLN 46 HG3 -0.56 -0.03 -0.03 -0.04 2.39 1.73 2bozM1 GLN 46 HE21 -0.02 0.29 0.17 -0.04 6.97 7.37 2bozM1 GLN 46 HE22 -0.07 0.49 0.05 -0.04 7.69 8.13 2bozM1 LEU 47 H -0.32 0.23 0.05 -0.55 8.37 7.78 2bozM1 LEU 47 HA -0.08 0.15 0.83 -0.75 4.35 4.49 2bozM1 LEU 47 HB2 -0.12 0.04 0.05 -0.04 1.64 1.57 2bozM1 LEU 47 HB3 -0.07 -0.08 0.06 -0.04 1.64 1.52 2bozM1 LEU 47 HG -0.06 0.08 -0.12 -0.04 1.64 1.50 2bozM1 LEU 47 HD13 -0.03 -0.00 0.00 -0.04 0.93 0.86 2bozM1 LEU 47 HD23 -0.02 0.01 -0.02 -0.04 0.89 0.82 2bozM1 GLY 48 H -0.06 0.11 0.02 -0.55 8.43 7.96 2bozM1 GLY 48 HA2 -0.04 0.06 0.04 -0.51 4.01 3.55 2bozM1 GLY 48 HA3 -0.07 0.02 0.46 -0.51 4.01 3.91 2bozM1 PRO 49 HA -0.04 0.17 0.23 -0.51 4.44 4.29 2bozM1 PRO 49 HB2 -0.01 -0.02 -0.20 -0.04 2.28 2.02 2bozM1 PRO 49 HB3 -0.03 0.32 -0.29 -0.04 2.02 1.99 2bozM1 PRO 49 HG2 -0.01 0.12 0.00 -0.04 2.03 2.10 2bozM1 PRO 49 HG3 -0.03 -0.06 -0.15 -0.04 2.03 1.75 2bozM1 PRO 49 HD2 -0.02 0.05 0.13 -0.04 3.68 3.79 2bozM1 PRO 49 HD3 -0.04 0.20 0.26 -0.04 3.65 4.04 2bozM1 ILE 50 H -0.02 0.16 0.16 -0.55 8.25 8.00 2bozM1 ILE 50 HA 0.02 0.21 0.89 -0.75 4.18 4.55 2bozM1 ILE 50 HB 0.01 -0.02 0.01 -0.04 1.89 1.85 2bozM1 ILE 50 HG12 0.05 0.20 -0.11 -0.04 1.49 1.59 2bozM1 ILE 50 HG13 0.05 -0.02 0.12 -0.04 1.21 1.33 2bozM1 ILE 50 HG23 -0.01 -0.01 -0.07 -0.04 0.93 0.81 2bozM1 ILE 50 HD13 0.10 -0.01 -0.01 -0.04 0.88 0.91 2bozM1 TYR 51 H 0.10 0.18 0.14 -0.55 8.29 8.16 2bozM1 TYR 51 HA -0.05 0.26 0.87 -0.75 4.56 4.88 2bozM1 TYR 51 HB2 -0.07 0.04 0.00 -0.04 3.06 2.98 2bozM1 TYR 51 HB3 -0.10 -0.03 0.12 -0.04 2.98 2.92 2bozM1 TYR 51 HD2 -0.08 0.05 -0.26 -0.04 7.15 6.82 2bozM1 TYR 51 HE2 -0.06 -0.01 -0.08 -0.04 6.85 6.66 2bozM1 LEU 52 H -0.42 0.70 0.23 -0.55 8.37 8.33 2bozM1 LEU 52 HA -0.03 0.23 1.20 -0.75 4.35 5.00 2bozM1 LEU 52 HB2 -0.08 0.03 -0.03 -0.04 1.64 1.52 2bozM1 LEU 52 HB3 -0.09 -0.06 0.15 -0.04 1.64 1.59 2bozM1 LEU 52 HG 0.01 -0.05 -0.10 -0.04 1.64 1.46 2bozM1 LEU 52 HD13 0.07 -0.00 0.02 -0.04 0.93 0.98 2bozM1 LEU 52 HD23 0.02 -0.00 -0.06 -0.04 0.89 0.81 2bozM1 GLY 53 H -0.24 0.14 0.16 -0.55 8.43 7.94 2bozM1 GLY 53 HA2 -0.14 0.06 0.41 -0.51 4.01 3.84 2bozM1 GLY 53 HA3 -0.06 0.13 0.55 -0.51 4.01 4.12 2bozM1 SER 54 H 0.00 0.18 0.18 -0.55 8.46 8.28 2bozM1 SER 54 HA -0.00 0.09 0.24 -0.75 4.49 4.07 2bozM1 SER 54 HB2 0.01 -0.02 0.17 -0.04 3.95 4.07 2bozM1 SER 54 HB3 0.01 0.06 -0.01 -0.04 3.93 3.95 2bozM1 LEU 55 H 0.03 0.11 -0.02 -0.55 8.37 7.94 2bozM1 LEU 55 HA 0.04 0.08 0.39 -0.75 4.35 4.12 2bozM1 LEU 55 HB2 0.01 -0.01 0.11 -0.04 1.64 1.71 2bozM1 LEU 55 HB3 -0.01 0.04 0.04 -0.04 1.64 1.67 2bozM1 LEU 55 HG 0.02 0.08 -0.03 -0.04 1.64 1.67 2bozM1 LEU 55 HD13 0.06 -0.00 0.07 -0.04 0.93 1.01 2bozM1 LEU 55 HD23 -0.03 -0.01 -0.03 -0.04 0.89 0.79 2bozM1 GLY 56 H 0.02 0.22 -0.29 -0.55 8.43 7.82 2bozM1 GLY 56 HA2 0.04 0.05 0.47 -0.51 4.01 4.06 2bozM1 GLY 56 HA3 0.02 0.21 0.27 -0.51 4.01 4.00 2bozM1 VAL 57 H 0.03 0.48 -0.23 -0.55 8.24 7.97 2bozM1 VAL 57 HA 0.07 0.01 0.41 -0.75 4.13 3.87 2bozM1 VAL 57 HB 0.02 0.15 0.16 -0.04 2.12 2.40 2bozM1 VAL 57 HG13 0.01 -0.01 -0.12 -0.04 0.97 0.81 2bozM1 VAL 57 HG23 -0.00 0.05 -0.02 -0.04 0.95 0.93 2bozM1 LEU 58 H 0.07 0.54 -0.08 -0.55 8.37 8.36 2bozM1 LEU 58 HA 0.15 -0.01 0.38 -0.75 4.35 4.12 2bozM1 LEU 58 HB2 0.08 -0.01 0.11 -0.04 1.64 1.77 2bozM1 LEU 58 HB3 0.09 0.12 0.16 -0.04 1.64 1.97 2bozM1 LEU 58 HG 0.14 0.03 -0.24 -0.04 1.64 1.53 2bozM1 LEU 58 HD13 0.16 -0.01 0.03 -0.04 0.93 1.06 2bozM1 LEU 58 HD23 0.10 -0.01 -0.00 -0.04 0.89 0.94 2bozM1 SER 59 H 0.15 0.38 -0.37 -0.55 8.46 8.07 2bozM1 SER 59 HA 0.15 0.03 0.38 -0.75 4.49 4.29 2bozM1 SER 59 HB2 0.23 0.04 0.02 -0.04 3.95 4.20 2bozM1 SER 59 HB3 0.35 0.05 0.19 -0.04 3.93 4.47 2bozM1 LEU 60 H 0.18 0.74 0.09 -0.55 8.37 8.84 2bozM1 LEU 60 HA 0.02 -0.00 0.53 -0.75 4.35 4.14 2bozM1 LEU 60 HB2 0.14 0.17 0.17 -0.04 1.64 2.09 2bozM1 LEU 60 HB3 0.11 0.03 0.09 -0.04 1.64 1.83 2bozM1 LEU 60 HG -0.00 -0.05 0.05 -0.04 1.64 1.60 2bozM1 LEU 60 HD13 0.08 -0.00 0.01 -0.04 0.93 0.98 2bozM1 LEU 60 HD23 0.05 -0.01 -0.04 -0.04 0.89 0.85 2bozM1 PHE 61 H 0.23 0.77 -0.08 -0.55 8.34 8.71 2bozM1 PHE 61 HA -0.02 -0.01 0.46 -0.75 4.62 4.30 2bozM1 PHE 61 HB2 0.02 -0.00 0.08 -0.04 3.15 3.21 2bozM1 PHE 61 HB3 0.03 0.09 0.14 -0.04 3.06 3.28 2bozM1 PHE 61 HD2 0.04 0.02 -0.04 -0.04 7.28 7.26 2bozM1 PHE 61 HE2 0.07 -0.00 -0.04 -0.04 7.38 7.37 2bozM1 PHE 61 HZ 0.04 0.00 -0.03 -0.04 7.32 7.28 2bozM1 SER 62 H 0.15 0.65 -0.02 -0.55 8.46 8.69 2bozM1 SER 62 HA -0.40 0.00 0.55 -0.75 4.49 3.89 2bozM1 SER 62 HB2 0.15 0.16 0.12 -0.04 3.95 4.33 2bozM1 SER 62 HB3 0.27 -0.06 0.12 -0.04 3.93 4.22 2bozM1 GLY 63 H -0.04 0.65 -0.07 -0.55 8.43 8.42 2bozM1 GLY 63 HA2 -0.04 0.01 0.51 -0.51 4.01 3.97 2bozM1 GLY 63 HA3 -0.11 0.09 0.34 -0.51 4.01 3.82 2bozM1 LEU 64 H -0.21 0.70 -0.05 -0.55 8.37 8.27 2bozM1 LEU 64 HA -0.51 -0.02 0.46 -0.75 4.35 3.52 2bozM1 LEU 64 HB2 -0.30 0.17 0.20 -0.04 1.64 1.67 2bozM1 LEU 64 HB3 -0.58 -0.08 0.03 -0.04 1.64 0.97 2bozM1 LEU 64 HG -0.19 0.11 0.13 -0.04 1.64 1.64 2bozM1 LEU 64 HD13 -0.00 -0.02 -0.06 -0.04 0.93 0.81 2bozM1 LEU 64 HD23 -0.28 -0.02 0.02 -0.04 0.89 0.56 2bozM1 MET 65 H -0.55 0.59 -0.09 -0.55 8.47 7.87 2bozM1 MET 65 HA -0.37 -0.03 0.42 -0.75 4.52 3.79 2bozM1 MET 65 HB2 -1.15 0.09 0.18 -0.04 2.15 1.24 2bozM1 MET 65 HB3 -1.78 -0.05 0.00 -0.04 2.03 0.16 2bozM1 MET 65 HG2 -1.37 0.23 0.07 -0.04 2.63 1.52 2bozM1 MET 65 HG3 -1.22 -0.04 -0.01 -0.04 2.56 1.24 2bozM1 MET 65 HE3 -0.20 -0.01 -0.01 -0.04 2.10 1.84 2bozM1 TRP 66 H -0.06 0.64 -0.21 -0.55 7.97 7.80 2bozM1 TRP 66 HA -0.07 -0.01 0.53 -0.75 4.62 4.32 2bozM1 TRP 66 HB2 -0.07 -0.01 0.01 -0.04 3.23 3.11 2bozM1 TRP 66 HB3 -0.17 0.24 0.21 -0.04 3.23 3.47 2bozM1 TRP 66 HD1 -0.37 0.12 -0.07 -0.04 7.22 6.86 2bozM1 TRP 66 HE1 -1.35 0.02 -0.07 -0.04 10.20 8.76 2bozM1 TRP 66 HE3 -0.13 0.13 0.03 -0.04 7.59 7.58 2bozM1 TRP 66 HZ2 -0.08 0.02 -0.04 -0.04 7.44 7.29 2bozM1 TRP 66 HZ3 -0.07 -0.02 -0.03 -0.04 7.13 6.97 2bozM1 TRP 66 HH2 -0.04 -0.01 -0.03 -0.04 7.19 7.06 2bozM1 PHE 67 H -0.05 0.48 -0.15 -0.55 8.34 8.06 2bozM1 PHE 67 HA -0.90 0.01 0.39 -0.75 4.62 3.36 2bozM1 PHE 67 HB2 -0.26 0.07 0.12 -0.04 3.15 3.04 2bozM1 PHE 67 HB3 -0.56 0.11 0.18 -0.04 3.06 2.75 2bozM1 PHE 67 HD2 -0.33 0.02 -0.06 -0.04 7.28 6.87 2bozM1 PHE 67 HE2 -0.03 -0.00 -0.03 -0.04 7.38 7.27 2bozM1 PHE 67 HZ -0.01 0.00 -0.03 -0.04 7.32 7.24 2bozM1 PHE 68 H -0.36 0.80 0.06 -0.55 8.34 8.29 2bozM1 PHE 68 HA -0.10 -0.00 0.56 -0.75 4.62 4.32 2bozM1 PHE 68 HB2 -0.12 0.07 0.07 -0.04 3.15 3.14 2bozM1 PHE 68 HB3 -0.04 -0.06 0.04 -0.04 3.06 2.96 2bozM1 PHE 68 HD2 -0.01 -0.03 -0.09 -0.04 7.28 7.11 2bozM1 PHE 68 HE2 0.06 -0.02 -0.04 -0.04 7.38 7.34 2bozM1 PHE 68 HZ 0.01 -0.01 -0.02 -0.04 7.32 7.26 2bozM1 THR 69 H -0.10 0.56 -0.28 -0.55 8.28 7.90 2bozM1 THR 69 HA 0.06 -0.01 0.46 -0.75 4.39 4.15 2bozM1 THR 69 HB -0.08 0.14 0.20 -0.04 4.32 4.54 2bozM1 THR 69 HG23 0.06 -0.04 -0.03 -0.04 1.22 1.18 2bozM1 ILE 70 H -0.41 0.50 -0.03 -0.55 8.25 7.77 2bozM1 ILE 70 HA -0.15 0.02 0.52 -0.75 4.18 3.82 2bozM1 ILE 70 HB -0.86 0.13 0.17 -0.04 1.89 1.29 2bozM1 ILE 70 HG12 -0.40 -0.04 0.07 -0.04 1.49 1.08 2bozM1 ILE 70 HG13 -0.75 0.11 0.14 -0.04 1.21 0.67 2bozM1 ILE 70 HG23 -0.90 -0.02 -0.10 -0.04 0.93 -0.13 2bozM1 ILE 70 HD13 -1.51 -0.02 -0.03 -0.04 0.88 -0.72 2bozM1 GLY 71 H -0.36 0.58 -0.16 -0.55 8.43 7.95 2bozM1 GLY 71 HA2 -0.22 -0.01 0.32 -0.51 4.01 3.59 2bozM1 GLY 71 HA3 -0.03 0.07 0.32 -0.51 4.01 3.87 2bozM1 ILE 72 H 0.12 0.79 -0.07 -0.55 8.25 8.55 2bozM1 ILE 72 HA 0.37 -0.02 0.43 -0.75 4.18 4.20 2bozM1 ILE 72 HB 0.16 0.11 0.15 -0.04 1.89 2.27 2bozM1 ILE 72 HG12 0.23 -0.01 0.02 -0.04 1.49 1.69 2bozM1 ILE 72 HG13 0.45 -0.05 0.05 -0.04 1.21 1.61 2bozM1 ILE 72 HG23 0.20 0.03 -0.01 -0.04 0.93 1.11 2bozM1 ILE 72 HD13 0.29 -0.01 0.03 -0.04 0.88 1.15 2bozM1 TRP 73 H 0.29 0.47 -0.31 -0.55 7.97 7.87 2bozM1 TRP 73 HA 0.09 -0.02 0.55 -0.75 4.62 4.49 2bozM1 TRP 73 HB2 0.08 -0.00 0.13 -0.04 3.23 3.40 2bozM1 TRP 73 HB3 0.12 0.16 0.17 -0.04 3.23 3.64 2bozM1 TRP 73 HD1 0.36 -0.02 -0.33 -0.04 7.22 7.19 2bozM1 TRP 73 HE1 0.17 0.28 0.17 -0.04 10.20 10.78 2bozM1 TRP 73 HE3 -0.01 -0.01 0.03 -0.04 7.59 7.56 2bozM1 TRP 73 HZ2 0.16 0.05 0.10 -0.04 7.44 7.71 2bozM1 TRP 73 HZ3 -0.24 -0.07 0.03 -0.04 7.13 6.81 2bozM1 TRP 73 HH2 0.16 0.01 0.11 -0.04 7.19 7.44 2bozM1 PHE 74 H 0.33 0.67 -0.01 -0.55 8.34 8.77 2bozM1 PHE 74 HA -0.76 -0.02 0.49 -0.75 4.62 3.58 2bozM1 PHE 74 HB2 -0.07 0.13 0.17 -0.04 3.15 3.34 2bozM1 PHE 74 HB3 -0.50 -0.04 -0.02 -0.04 3.06 2.46 2bozM1 PHE 74 HD2 -0.01 -0.06 -0.07 -0.04 7.28 7.10 2bozM1 PHE 74 HE2 0.12 -0.03 -0.09 -0.04 7.38 7.33 2bozM1 PHE 74 HZ 0.07 -0.01 -0.11 -0.04 7.32 7.23 2bozM1 TRP 75 H 0.13 0.67 -0.08 -0.55 7.97 8.14 2bozM1 TRP 75 HA -0.23 -0.02 0.35 -0.75 4.62 3.97 2bozM1 TRP 75 HB2 -0.17 0.11 0.15 -0.04 3.23 3.27 2bozM1 TRP 75 HB3 -0.23 -0.06 -0.04 -0.04 3.23 2.87 2bozM1 TRP 75 HD1 -0.04 0.14 -0.22 -0.04 7.22 7.06 2bozM1 TRP 75 HE1 -0.40 -0.02 -0.06 -0.04 10.20 9.67 2bozM1 TRP 75 HE3 0.01 -0.10 -0.18 -0.04 7.59 7.28 2bozM1 TRP 75 HZ2 -0.61 -0.00 -0.05 -0.04 7.44 6.74 2bozM1 TRP 75 HZ3 -0.03 -0.02 -0.35 -0.04 7.13 6.68 2bozM1 TRP 75 HH2 -0.22 -0.02 -0.03 -0.04 7.19 6.88 2bozM1 TYR 76 H -0.47 0.63 -0.09 -0.55 8.29 7.81 2bozM1 TYR 76 HA -1.66 -0.03 0.49 -0.75 4.56 2.60 2bozM1 TYR 76 HB2 -0.39 -0.01 0.16 -0.04 3.06 2.78 2bozM1 TYR 76 HB3 -0.66 0.14 0.27 -0.04 2.98 2.68 2bozM1 TYR 76 HD2 -0.80 0.02 0.02 -0.04 7.15 6.35 2bozM1 TYR 76 HE2 -0.07 -0.00 -0.00 -0.04 6.85 6.73 2bozM1 GLN 77 H -0.84 0.83 0.01 -0.55 8.47 7.92 2bozM1 GLN 77 HA -0.73 -0.02 0.40 -0.75 4.36 3.26 2bozM1 GLN 77 HB2 -0.91 0.10 0.17 -0.04 2.15 1.46 2bozM1 GLN 77 HB3 -0.27 -0.06 0.05 -0.04 2.02 1.70 2bozM1 GLN 77 HG2 -0.63 -0.05 0.09 -0.04 2.40 1.77 2bozM1 GLN 77 HG3 -1.58 0.13 0.07 -0.04 2.39 0.97 2bozM1 GLN 77 HE21 0.33 0.01 0.12 -0.04 6.97 7.40 2bozM1 GLN 77 HE22 0.20 -0.02 0.08 -0.04 7.69 7.91 2bozM1 ALA 78 H -0.70 0.40 -0.53 -0.55 8.40 7.03 2bozM1 ALA 78 HA -0.07 0.05 0.44 -0.75 4.34 4.01 2bozM1 ALA 78 HB3 -0.24 -0.01 0.02 -0.04 1.41 1.14 2bozM1 GLY 79 H -0.54 0.60 -0.42 -0.55 8.43 7.53 2bozM1 GLY 79 HA2 -0.33 0.07 0.35 -0.51 4.01 3.58 2bozM1 GLY 79 HA3 -0.11 -0.00 0.58 -0.51 4.01 3.97 2bozM1 TRP 80 H -0.38 0.67 -0.14 -0.55 7.97 7.57 2bozM1 TRP 80 HA 0.40 -0.03 0.19 -0.75 4.62 4.43 2bozM1 TRP 80 HB2 0.04 0.18 0.01 -0.04 3.23 3.42 2bozM1 TRP 80 HB3 0.03 -0.07 0.12 -0.04 3.23 3.26 2bozM1 TRP 80 HD1 0.02 0.07 -0.23 -0.04 7.22 7.03 2bozM1 TRP 80 HE1 0.14 -0.01 -0.04 -0.04 10.20 10.24 2bozM1 TRP 80 HE3 -0.04 -0.01 -0.05 -0.04 7.59 7.45 2bozM1 TRP 80 HZ2 0.19 -0.02 -0.01 -0.04 7.44 7.56 2bozM1 TRP 80 HZ3 -0.06 -0.02 -0.01 -0.04 7.13 6.99 2bozM1 TRP 80 HH2 0.08 -0.00 0.01 -0.04 7.19 7.24 2bozM1 ASN 81 H 0.16 0.33 -0.79 -0.55 8.53 7.69 2bozM1 ASN 81 HA 0.22 0.18 0.76 -0.75 4.76 5.17 2bozM1 ASN 81 HB2 0.11 0.14 0.07 -0.04 2.88 3.16 2bozM1 ASN 81 HB3 0.08 0.12 0.19 -0.04 2.79 3.14 2bozM1 ASN 81 HD21 0.05 -0.02 0.03 -0.04 7.03 7.05 2bozM1 ASN 81 HD22 0.05 0.10 0.05 -0.04 7.74 7.90 2bozM1 PRO 82 HA 0.28 0.08 0.30 -0.51 4.44 4.60 2bozM1 PRO 82 HB2 0.18 0.01 -0.00 -0.04 2.28 2.43 2bozM1 PRO 82 HB3 0.32 0.05 0.07 -0.04 2.02 2.42 2bozM1 PRO 82 HG2 0.15 0.04 0.10 -0.04 2.03 2.28 2bozM1 PRO 82 HG3 0.29 0.09 0.09 -0.04 2.03 2.46 2bozM1 PRO 82 HD2 0.16 0.04 0.24 -0.04 3.68 4.08 2bozM1 PRO 82 HD3 0.26 0.44 0.39 -0.04 3.65 4.70 2bozM1 ALA 83 H 0.12 0.13 -0.22 -0.55 8.40 7.88 2bozM1 ALA 83 HA 0.07 0.11 0.47 -0.75 4.34 4.23 2bozM1 ALA 83 HB3 0.04 0.02 0.05 -0.04 1.41 1.48 2bozM1 VAL 84 H 0.06 0.13 -0.10 -0.55 8.24 7.78 2bozM1 VAL 84 HA -0.02 0.03 0.50 -0.75 4.13 3.89 2bozM1 VAL 84 HB 0.05 0.23 0.18 -0.04 2.12 2.54 2bozM1 VAL 84 HG13 0.03 0.01 0.00 -0.04 0.97 0.97 2bozM1 VAL 84 HG23 0.01 -0.02 0.07 -0.04 0.95 0.97 2bozM1 PHE 85 H 0.11 0.46 -0.21 -0.55 8.34 8.15 2bozM1 PHE 85 HA 0.04 0.05 0.31 -0.75 4.62 4.27 2bozM1 PHE 85 HB2 -0.80 0.02 -0.05 -0.04 3.15 2.28 2bozM1 PHE 85 HB3 -0.45 0.12 0.07 -0.04 3.06 2.75 2bozM1 PHE 85 HD2 -0.75 0.04 -0.24 -0.04 7.28 6.29 2bozM1 PHE 85 HE2 -0.34 -0.00 -0.07 -0.04 7.38 6.93 2bozM1 PHE 85 HZ -0.10 -0.01 -0.04 -0.04 7.32 7.12 2bozM1 LEU 86 H 0.08 0.38 -0.23 -0.55 8.37 8.05 2bozM1 LEU 86 HA -0.12 0.05 0.48 -0.75 4.35 4.01 2bozM1 LEU 86 HB2 0.02 0.06 0.13 -0.04 1.64 1.81 2bozM1 LEU 86 HB3 -0.01 -0.04 0.06 -0.04 1.64 1.62 2bozM1 LEU 86 HG 0.21 0.12 0.07 -0.04 1.64 2.00 2bozM1 LEU 86 HD13 0.10 -0.02 0.00 -0.04 0.93 0.97 2bozM1 LEU 86 HD23 0.17 -0.01 -0.02 -0.04 0.89 0.99 2bozM1 ARG 87 H -0.07 0.41 -0.13 -0.55 8.46 8.12 2bozM1 ARG 87 HA -0.12 0.01 0.39 -0.75 4.34 3.87 2bozM1 ARG 87 HB2 -0.07 0.06 0.15 -0.04 1.90 2.00 2bozM1 ARG 87 HB3 -0.12 0.04 0.22 -0.04 1.80 1.89 2bozM1 ARG 87 HG2 -0.20 -0.00 -0.16 -0.04 1.67 1.26 2bozM1 ARG 87 HG3 -0.11 -0.03 0.04 -0.04 1.67 1.52 2bozM1 ARG 87 HD2 -0.12 -0.02 -0.02 -0.04 3.22 3.02 2bozM1 ARG 87 HD3 -0.08 -0.02 -0.02 -0.04 3.22 3.06 2bozM1 ASP 88 H -0.27 0.69 -0.06 -0.55 8.40 8.22 2bozM1 ASP 88 HA -0.29 0.12 0.71 -0.75 4.63 4.41 2bozM1 ASP 88 HB2 -0.77 0.15 0.05 -0.04 2.71 2.10 2bozM1 ASP 88 HB3 -0.88 -0.08 0.13 -0.04 2.70 1.82 2bozM1 LEU 89 H -0.32 0.37 -0.50 -0.55 8.37 7.38 2bozM1 LEU 89 HA -0.27 0.05 0.31 -0.75 4.35 3.68 2bozM1 LEU 89 HB2 -0.33 0.27 0.20 -0.04 1.64 1.74 2bozM1 LEU 89 HB3 -0.18 -0.02 0.10 -0.04 1.64 1.50 2bozM1 LEU 89 HG 0.12 -0.07 -0.12 -0.04 1.64 1.53 2bozM1 LEU 89 HD13 -0.40 -0.01 0.02 -0.04 0.93 0.50 2bozM1 LEU 89 HD23 0.02 -0.01 -0.00 -0.04 0.89 0.86 2bozM1 PHE 90 H -0.13 0.20 -0.14 -0.55 8.34 7.72 2bozM1 PHE 90 HA -0.51 0.03 0.67 -0.75 4.62 4.05 2bozM1 PHE 90 HB2 -1.02 0.07 0.09 -0.04 3.15 2.25 2bozM1 PHE 90 HB3 -2.74 -0.04 0.09 -0.04 3.06 0.33 2bozM1 PHE 90 HD2 -0.31 -0.05 -0.15 -0.04 7.28 6.73 2bozM1 PHE 90 HE2 -0.03 0.01 -0.02 -0.04 7.38 7.31 2bozM1 PHE 90 HZ -0.02 0.01 -0.00 -0.04 7.32 7.26 2bozM1 PHE 91 H -0.20 0.34 -0.36 -0.55 8.34 7.56 2bozM1 PHE 91 HA -0.07 0.00 0.58 -0.75 4.62 4.38 2bozM1 PHE 91 HB2 -0.53 0.16 0.09 -0.04 3.15 2.84 2bozM1 PHE 91 HB3 -0.18 -0.02 0.02 -0.04 3.06 2.85 2bozM1 PHE 91 HD2 -0.15 -0.03 -0.01 -0.04 7.28 7.05 2bozM1 PHE 91 HE2 0.02 0.04 0.01 -0.04 7.38 7.41 2bozM1 PHE 91 HZ 0.16 0.00 -0.01 -0.04 7.32 7.43 2bozM1 PHE 92 H -0.66 0.28 -0.00 -0.55 8.34 7.41 2bozM1 PHE 92 HA -0.25 0.06 0.53 -0.75 4.62 4.21 2bozM1 PHE 92 HB2 -2.13 0.02 0.03 -0.04 3.15 1.03 2bozM1 PHE 92 HB3 -1.17 -0.03 0.01 -0.04 3.06 1.83 2bozM1 PHE 92 HD2 -0.56 -0.01 -0.01 -0.04 7.28 6.66 2bozM1 PHE 92 HE2 -0.46 0.10 -0.18 -0.04 7.38 6.81 2bozM1 PHE 92 HZ -0.26 -0.03 -0.29 -0.04 7.32 6.69 2bozM1 SER 93 H 0.24 0.23 0.15 -0.55 8.46 8.54 2bozM1 SER 93 HA 0.39 0.28 0.73 -0.75 4.49 5.13 2bozM1 SER 93 HB2 0.18 0.03 -0.33 -0.04 3.95 3.78 2bozM1 SER 93 HB3 0.23 -0.01 -0.06 -0.04 3.93 4.06 2bozM1 LEU 94 H 0.51 0.68 0.22 -0.55 8.37 9.24 2bozM1 LEU 94 HA -0.02 0.11 0.88 -0.75 4.35 4.58 2bozM1 LEU 94 HB2 0.30 0.01 0.11 -0.04 1.64 2.01 2bozM1 LEU 94 HB3 0.39 -0.02 0.25 -0.04 1.64 2.22 2bozM1 LEU 94 HG 0.30 0.03 -0.22 -0.04 1.64 1.71 2bozM1 LEU 94 HD13 -0.65 -0.04 -0.05 -0.04 0.93 0.14 2bozM1 LEU 94 HD23 0.02 0.02 -0.22 -0.04 0.89 0.67 2bozM1 GLU 95 H -0.01 0.16 0.07 -0.55 8.60 8.28 2bozM1 GLU 95 HA -0.01 0.12 0.36 -0.75 4.29 4.01 2bozM1 GLU 95 HB2 0.03 -0.05 0.02 -0.04 2.09 2.05 2bozM1 GLU 95 HB3 -0.01 0.17 -0.03 -0.04 1.99 2.08 2bozM1 GLU 95 HG2 0.19 -0.08 -0.34 -0.04 2.34 2.07 2bozM1 GLU 95 HG3 0.15 0.01 -0.06 -0.04 2.34 2.39 2bozM1 PRO 96 HA -0.99 -0.00 0.50 -0.51 4.44 3.44 2bozM1 PRO 96 HB2 -0.75 0.14 -0.22 -0.04 2.28 1.42 2bozM1 PRO 96 HB3 -2.43 -0.01 -0.02 -0.04 2.02 -0.48 2bozM1 PRO 96 HG2 -0.30 0.04 -0.04 -0.04 2.03 1.69 2bozM1 PRO 96 HG3 -0.44 0.28 -0.15 -0.04 2.03 1.67 2bozM1 PRO 96 HD2 -0.21 0.01 0.12 -0.04 3.68 3.56 2bozM1 PRO 96 HD3 -0.57 0.13 -0.04 -0.04 3.65 3.13 2bozM1 PRO 97 HA -0.02 0.15 0.47 -0.51 4.44 4.53 2bozM1 PRO 97 HB2 0.18 0.04 -0.07 -0.04 2.28 2.39 2bozM1 PRO 97 HB3 0.01 -0.04 0.09 -0.04 2.02 2.04 2bozM1 PRO 97 HG2 0.16 0.09 0.01 -0.04 2.03 2.25 2bozM1 PRO 97 HG3 -0.00 -0.09 -0.03 -0.04 2.03 1.87 2bozM1 PRO 97 HD2 -0.28 0.13 0.08 -0.04 3.68 3.57 2bozM1 PRO 97 HD3 -0.06 0.13 0.22 -0.04 3.65 3.90 2bozM1 ALA 98 H 0.22 0.08 0.17 -0.55 8.40 8.32 2bozM1 ALA 98 HA 0.06 0.20 0.48 -0.75 4.34 4.34 2bozM1 ALA 98 HB3 0.13 -0.01 0.12 -0.04 1.41 1.62 2bozM1 PRO 99 HA 0.01 0.07 0.37 -0.51 4.44 4.39 2bozM1 PRO 99 HB2 -0.02 -0.00 0.04 -0.04 2.28 2.25 2bozM1 PRO 99 HB3 -0.02 0.10 0.07 -0.04 2.02 2.14 2bozM1 PRO 99 HG2 -0.01 0.04 0.08 -0.04 2.03 2.11 2bozM1 PRO 99 HG3 0.00 0.12 0.07 -0.04 2.03 2.18 2bozM1 PRO 99 HD2 0.02 0.04 0.21 -0.04 3.68 3.90 2bozM1 PRO 99 HD3 0.03 0.21 0.24 -0.04 3.65 4.08 2bozM1 GLU 100 H -0.04 0.09 -0.20 -0.55 8.60 7.90 2bozM1 GLU 100 HA -0.09 0.11 0.37 -0.75 4.29 3.93 2bozM1 GLU 100 HB2 -0.22 0.02 0.04 -0.04 2.09 1.90 2bozM1 GLU 100 HB3 -0.11 0.01 0.08 -0.04 1.99 1.93 2bozM1 GLU 100 HG2 -0.39 0.00 -0.09 -0.04 2.34 1.82 2bozM1 GLU 100 HG3 -0.24 0.01 -0.03 -0.04 2.34 2.05 2bozM1 TYR 101 H 0.07 0.39 -0.42 -0.55 8.29 7.78 2bozM1 TYR 101 HA 0.03 0.05 0.56 -0.75 4.56 4.45 2bozM1 TYR 101 HB2 0.08 0.20 0.00 -0.04 3.06 3.30 2bozM1 TYR 101 HB3 0.11 -0.07 -0.00 -0.04 2.98 2.98 2bozM1 TYR 101 HD2 0.05 -0.03 -0.02 -0.04 7.15 7.10 2bozM1 TYR 101 HE2 0.04 0.04 -0.05 -0.04 6.85 6.83 2bozM1 GLY 102 H 0.02 0.55 -0.27 -0.55 8.43 8.19 2bozM1 GLY 102 HA2 -0.08 0.23 0.51 -0.51 4.01 4.16 2bozM1 GLY 102 HA3 -0.07 -0.05 0.49 -0.51 4.01 3.88 2bozM1 LEU 103 H -0.18 0.13 0.21 -0.55 8.37 7.97 2bozM1 LEU 103 HA -0.99 0.11 0.77 -0.75 4.35 3.49 2bozM1 LEU 103 HB2 -0.36 -0.02 0.05 -0.04 1.64 1.27 2bozM1 LEU 103 HB3 -0.68 -0.02 0.10 -0.04 1.64 1.01 2bozM1 LEU 103 HG -0.51 0.05 -0.53 -0.04 1.64 0.61 2bozM1 LEU 103 HD13 -0.41 0.04 0.01 -0.04 0.93 0.52 2bozM1 LEU 103 HD23 -1.51 0.03 -0.38 -0.04 0.89 -1.02 2bozM1 SER 104 H 0.04 0.38 0.03 -0.55 8.46 8.36 2bozM1 SER 104 HA -0.07 0.02 0.40 -0.75 4.49 4.10 2bozM1 SER 104 HB2 0.07 -0.05 0.15 -0.04 3.95 4.08 2bozM1 SER 104 HB3 0.08 0.18 0.20 -0.04 3.93 4.36 2bozM1 PHE 105 H 0.08 0.12 0.13 -0.55 8.34 8.12 2bozM1 PHE 105 HA 0.08 0.24 0.84 -0.75 4.62 5.03 2bozM1 PHE 105 HB2 0.04 -0.03 0.13 -0.04 3.15 3.25 2bozM1 PHE 105 HB3 -0.01 -0.02 0.21 -0.04 3.06 3.20 2bozM1 PHE 105 HD2 0.03 0.03 0.00 -0.04 7.28 7.30 2bozM1 PHE 105 HE2 -0.10 0.00 -0.01 -0.04 7.38 7.23 2bozM1 PHE 105 HZ 0.10 -0.01 -0.01 -0.04 7.32 7.36 2bozM1 ALA 106 H 0.18 0.14 -0.37 -0.55 8.40 7.80 2bozM1 ALA 106 HA 0.09 0.18 0.48 -0.75 4.34 4.34 2bozM1 ALA 106 HB3 0.16 0.01 0.04 -0.04 1.41 1.58 2bozM1 ALA 107 H -0.14 0.10 -0.32 -0.55 8.40 7.49 2bozM1 ALA 107 HA -0.83 0.11 0.45 -0.75 4.34 3.32 2bozM1 ALA 107 HB3 -0.79 0.04 -0.05 -0.04 1.41 0.58 2bozM1 PRO 108 HA -0.02 0.11 0.37 -0.51 4.44 4.39 2bozM1 PRO 108 HB2 0.02 -0.11 -0.02 -0.04 2.28 2.13 2bozM1 PRO 108 HB3 0.03 0.05 0.11 -0.04 2.02 2.17 2bozM1 PRO 108 HG2 0.08 0.06 0.08 -0.04 2.03 2.21 2bozM1 PRO 108 HG3 0.06 0.11 0.11 -0.04 2.03 2.27 2bozM1 PRO 108 HD2 -0.11 0.11 0.17 -0.04 3.68 3.81 2bozM1 PRO 108 HD3 -0.05 0.21 0.25 -0.04 3.65 4.02 2bozM1 LEU 109 H -0.01 0.22 0.17 -0.55 8.37 8.19 2bozM1 LEU 109 HA -0.06 -0.01 0.40 -0.75 4.35 3.93 2bozM1 LEU 109 HB2 0.01 -0.01 0.17 -0.04 1.64 1.77 2bozM1 LEU 109 HB3 -0.01 0.05 -0.01 -0.04 1.64 1.63 2bozM1 LEU 109 HG -0.00 0.03 0.09 -0.04 1.64 1.72 2bozM1 LEU 109 HD13 0.03 0.02 0.02 -0.04 0.93 0.95 2bozM1 LEU 109 HD23 -0.02 0.01 -0.04 -0.04 0.89 0.80 2bozM1 LYS 110 H 0.02 0.13 -0.12 -0.55 8.42 7.89 2bozM1 LYS 110 HA -0.22 0.10 0.43 -0.75 4.32 3.88 2bozM1 LYS 110 HB2 0.14 0.00 0.03 -0.04 1.87 2.00 2bozM1 LYS 110 HB3 0.39 0.08 0.13 -0.04 1.79 2.35 2bozM1 LYS 110 HG2 0.31 0.07 0.04 -0.04 1.46 1.84 2bozM1 LYS 110 HG3 0.11 -0.11 0.01 -0.04 1.46 1.43 2bozM1 LYS 110 HD2 0.05 0.00 0.02 -0.04 1.69 1.72 2bozM1 LYS 110 HD3 0.11 -0.02 0.02 -0.04 1.68 1.76 2bozM1 LYS 110 HE2 0.25 0.02 0.01 -0.04 2.99 3.23 2bozM1 LYS 110 HE3 0.13 0.03 0.02 -0.04 2.99 3.12 2bozM1 GLU 111 H -0.06 0.44 -0.69 -0.55 8.60 7.75 2bozM1 GLU 111 HA -0.01 0.28 0.94 -0.75 4.29 4.74 2bozM1 GLU 111 HB2 -0.02 -0.01 0.10 -0.04 2.09 2.12 2bozM1 GLU 111 HB3 0.06 0.00 0.17 -0.04 1.99 2.19 2bozM1 GLU 111 HG2 0.10 0.14 -0.19 -0.04 2.34 2.35 2bozM1 GLU 111 HG3 0.08 -0.18 -0.32 -0.04 2.34 1.88 2bozM1 GLY 112 H -0.16 0.17 -0.18 -0.55 8.43 7.71 2bozM1 GLY 112 HA2 -0.04 0.23 0.20 -0.51 4.01 3.89 2bozM1 GLY 112 HA3 -0.07 0.18 0.69 -0.51 4.01 4.30 2bozM1 GLY 113 H -0.10 0.44 -0.26 -0.55 8.43 7.95 2bozM1 GLY 113 HA2 -0.06 0.12 0.37 -0.51 4.01 3.93 2bozM1 GLY 113 HA3 -0.07 0.01 0.12 -0.51 4.01 3.56 2bozM1 LEU 114 H -0.12 0.60 0.14 -0.55 8.37 8.44 2bozM1 LEU 114 HA -0.04 0.02 0.47 -0.75 4.35 4.05 2bozM1 LEU 114 HB2 -0.26 0.20 0.14 -0.04 1.64 1.68 2bozM1 LEU 114 HB3 -0.18 0.05 -0.12 -0.04 1.64 1.35 2bozM1 LEU 114 HG 0.04 0.07 -0.00 -0.04 1.64 1.70 2bozM1 LEU 114 HD13 0.05 -0.02 0.01 -0.04 0.93 0.93 2bozM1 LEU 114 HD23 -0.02 -0.02 -0.10 -0.04 0.89 0.71 2bozM1 TRP 115 H 0.08 0.12 -0.38 -0.55 7.97 7.25 2bozM1 TRP 115 HA 0.08 0.01 0.44 -0.75 4.62 4.41 2bozM1 TRP 115 HB2 -0.09 0.07 -0.25 -0.04 3.23 2.92 2bozM1 TRP 115 HB3 -0.09 0.15 0.05 -0.04 3.23 3.31 2bozM1 TRP 115 HD1 -0.08 0.17 -0.21 -0.04 7.22 7.05 2bozM1 TRP 115 HE1 -0.63 0.35 0.06 -0.04 10.20 9.95 2bozM1 TRP 115 HE3 -0.16 0.05 -0.29 -0.04 7.59 7.15 2bozM1 TRP 115 HZ2 -0.10 0.02 0.01 -0.04 7.44 7.33 2bozM1 TRP 115 HZ3 -0.52 -0.01 -0.00 -0.04 7.13 6.56 2bozM1 TRP 115 HH2 0.06 0.14 0.09 -0.04 7.19 7.44 2bozM1 LEU 116 H 0.17 0.52 -0.15 -0.55 8.37 8.37 2bozM1 LEU 116 HA -0.21 0.06 0.45 -0.75 4.35 3.89 2bozM1 LEU 116 HB2 -0.10 0.14 0.24 -0.04 1.64 1.89 2bozM1 LEU 116 HB3 -0.36 -0.07 0.02 -0.04 1.64 1.19 2bozM1 LEU 116 HG 0.15 0.06 0.06 -0.04 1.64 1.87 2bozM1 LEU 116 HD13 0.12 0.01 0.01 -0.04 0.93 1.03 2bozM1 LEU 116 HD23 -0.73 -0.00 0.03 -0.04 0.89 0.15 2bozM1 ILE 117 H -0.11 0.46 -0.10 -0.55 8.25 7.95 2bozM1 ILE 117 HA -0.26 0.02 0.44 -0.75 4.18 3.61 2bozM1 ILE 117 HB -0.04 0.05 0.19 -0.04 1.89 2.05 2bozM1 ILE 117 HG12 -0.20 -0.03 0.02 -0.04 1.49 1.25 2bozM1 ILE 117 HG13 -0.16 0.13 0.04 -0.04 1.21 1.19 2bozM1 ILE 117 HG23 0.03 -0.01 -0.10 -0.04 0.93 0.81 2bozM1 ILE 117 HD13 -0.04 -0.03 -0.05 -0.04 0.88 0.72 2bozM1 ALA 118 H -0.06 0.67 -0.07 -0.55 8.40 8.39 2bozM1 ALA 118 HA 0.25 -0.02 0.37 -0.75 4.34 4.18 2bozM1 ALA 118 HB3 -0.16 0.03 0.14 -0.04 1.41 1.38 2bozM1 SER 119 H -0.34 0.65 -0.20 -0.55 8.46 8.03 2bozM1 SER 119 HA -0.10 -0.04 0.41 -0.75 4.49 4.01 2bozM1 SER 119 HB2 -0.65 0.10 0.13 -0.04 3.95 3.50 2bozM1 SER 119 HB3 -0.44 -0.05 0.07 -0.04 3.93 3.47 2bozM1 PHE 120 H -0.11 0.57 -0.16 -0.55 8.34 8.08 2bozM1 PHE 120 HA -0.15 0.00 0.50 -0.75 4.62 4.21 2bozM1 PHE 120 HB2 -0.36 0.05 0.14 -0.04 3.15 2.94 2bozM1 PHE 120 HB3 -0.47 0.15 0.21 -0.04 3.06 2.91 2bozM1 PHE 120 HD2 -0.50 0.03 -0.03 -0.04 7.28 6.75 2bozM1 PHE 120 HE2 -0.08 -0.01 -0.03 -0.04 7.38 7.22 2bozM1 PHE 120 HZ -0.00 -0.02 -0.02 -0.04 7.32 7.24 2bozM1 PHE 121 H -0.08 0.59 -0.06 -0.55 8.34 8.24 2bozM1 PHE 121 HA -0.16 -0.05 0.47 -0.75 4.62 4.12 2bozM1 PHE 121 HB2 0.08 0.17 0.17 -0.04 3.15 3.53 2bozM1 PHE 121 HB3 0.01 0.16 0.08 -0.04 3.06 3.28 2bozM1 PHE 121 HD2 0.03 -0.02 -0.07 -0.04 7.28 7.18 2bozM1 PHE 121 HE2 0.13 -0.03 -0.05 -0.04 7.38 7.39 2bozM1 PHE 121 HZ 0.11 -0.02 -0.03 -0.04 7.32 7.34 2bozM1 MET 122 H 0.04 0.61 -0.10 -0.55 8.47 8.47 2bozM1 MET 122 HA -0.40 -0.02 0.43 -0.75 4.52 3.78 2bozM1 MET 122 HB2 -0.78 0.08 0.11 -0.04 2.15 1.51 2bozM1 MET 122 HB3 -0.10 0.12 0.12 -0.04 2.03 2.13 2bozM1 MET 122 HG2 -0.50 -0.09 -0.02 -0.04 2.63 1.99 2bozM1 MET 122 HG3 -1.85 -0.04 0.05 -0.04 2.56 0.68 2bozM1 MET 122 HE3 -0.61 -0.01 -0.02 -0.04 2.10 1.42 2bozM1 PHE 123 H 0.13 0.63 -0.17 -0.55 8.34 8.39 2bozM1 PHE 123 HA 0.51 -0.04 0.31 -0.75 4.62 4.65 2bozM1 PHE 123 HB2 -0.03 0.12 0.15 -0.04 3.15 3.34 2bozM1 PHE 123 HB3 -0.13 0.14 0.24 -0.04 3.06 3.27 2bozM1 PHE 123 HD2 -0.17 0.03 -0.12 -0.04 7.28 6.98 2bozM1 PHE 123 HE2 -0.46 -0.01 -0.04 -0.04 7.38 6.82 2bozM1 PHE 123 HZ -0.47 -0.01 -0.02 -0.04 7.32 6.77 2bozM1 VAL 124 H -0.03 0.58 -0.05 -0.55 8.24 8.20 2bozM1 VAL 124 HA 0.13 -0.01 0.67 -0.75 4.13 4.16 2bozM1 VAL 124 HB 0.04 -0.06 0.10 -0.04 2.12 2.15 2bozM1 VAL 124 HG13 -0.55 0.05 0.06 -0.04 0.97 0.50 2bozM1 VAL 124 HG23 0.07 -0.01 -0.08 -0.04 0.95 0.89 2bozM1 ALA 125 H -0.03 0.59 -0.22 -0.55 8.40 8.19 2bozM1 ALA 125 HA 0.05 -0.02 0.46 -0.75 4.34 4.08 2bozM1 ALA 125 HB3 -0.15 0.02 0.07 -0.04 1.41 1.31 2bozM1 VAL 126 H -0.24 0.64 -0.08 -0.55 8.24 8.01 2bozM1 VAL 126 HA -0.19 0.02 0.39 -0.75 4.13 3.59 2bozM1 VAL 126 HB -1.02 0.11 0.12 -0.04 2.12 1.29 2bozM1 VAL 126 HG13 -1.33 -0.02 -0.10 -0.04 0.97 -0.53 2bozM1 VAL 126 HG23 -1.04 0.04 0.03 -0.04 0.95 -0.06 2bozM1 TRP 127 H -0.08 0.58 0.01 -0.55 7.97 7.93 2bozM1 TRP 127 HA -0.03 0.01 0.52 -0.75 4.62 4.37 2bozM1 TRP 127 HB2 -0.25 0.18 0.19 -0.04 3.23 3.32 2bozM1 TRP 127 HB3 -0.09 -0.05 0.03 -0.04 3.23 3.08 2bozM1 TRP 127 HD1 -1.71 0.15 0.07 -0.04 7.22 5.68 2bozM1 TRP 127 HE1 -0.55 0.02 -0.00 -0.04 10.20 9.62 2bozM1 TRP 127 HE3 -0.22 -0.07 0.06 -0.04 7.59 7.32 2bozM1 TRP 127 HZ2 -0.09 0.03 -0.03 -0.04 7.44 7.30 2bozM1 TRP 127 HZ3 -1.20 -0.03 -0.01 -0.04 7.13 5.85 2bozM1 TRP 127 HH2 -0.33 0.01 -0.03 -0.04 7.19 6.80 2bozM1 SER 128 H 0.19 0.61 -0.09 -0.55 8.46 8.62 2bozM1 SER 128 HA 0.19 -0.04 0.58 -0.75 4.49 4.47 2bozM1 SER 128 HB2 0.12 -0.08 0.10 -0.04 3.95 4.05 2bozM1 SER 128 HB3 0.14 -0.01 0.12 -0.04 3.93 4.14 2bozM1 TRP 129 H 0.30 0.50 -0.26 -0.55 7.97 7.96 2bozM1 TRP 129 HA 0.03 -0.02 0.53 -0.75 4.62 4.40 2bozM1 TRP 129 HB2 -0.04 0.19 0.16 -0.04 3.23 3.50 2bozM1 TRP 129 HB3 0.10 0.09 0.14 -0.04 3.23 3.51 2bozM1 TRP 129 HD1 -0.27 0.00 -0.12 -0.04 7.22 6.79 2bozM1 TRP 129 HE1 -0.30 -0.01 -0.02 -0.04 10.20 9.83 2bozM1 TRP 129 HE3 -0.04 0.02 -0.00 -0.04 7.59 7.53 2bozM1 TRP 129 HZ2 -0.12 -0.00 -0.00 -0.04 7.44 7.28 2bozM1 TRP 129 HZ3 -0.04 -0.01 0.02 -0.04 7.13 7.06 2bozM1 TRP 129 HH2 -0.06 0.00 0.01 -0.04 7.19 7.11 2bozM1 TRP 130 H 0.38 0.67 -0.04 -0.55 7.97 8.43 2bozM1 TRP 130 HA 0.32 -0.03 0.50 -0.75 4.62 4.66 2bozM1 TRP 130 HB2 -0.52 0.03 0.12 -0.04 3.23 2.81 2bozM1 TRP 130 HB3 0.04 0.15 0.21 -0.04 3.23 3.58 2bozM1 TRP 130 HD1 -0.33 -0.04 0.01 -0.04 7.22 6.81 2bozM1 TRP 130 HE1 0.09 0.33 0.03 -0.04 10.20 10.61 2bozM1 TRP 130 HE3 0.22 0.10 -0.10 -0.04 7.59 7.77 2bozM1 TRP 130 HZ2 0.28 -0.02 -0.09 -0.04 7.44 7.58 2bozM1 TRP 130 HZ3 -0.00 0.00 -0.04 -0.04 7.13 7.06 2bozM1 TRP 130 HH2 0.02 0.00 -0.04 -0.04 7.19 7.14 2bozM1 GLY 131 H 0.33 0.60 -0.09 -0.55 8.43 8.72 2bozM1 GLY 131 HA2 -0.34 -0.00 0.41 -0.51 4.01 3.57 2bozM1 GLY 131 HA3 0.03 0.07 0.31 -0.51 4.01 3.91 2bozM1 ARG 132 H -0.17 0.56 -0.21 -0.55 8.46 8.09 2bozM1 ARG 132 HA -0.27 -0.06 0.47 -0.75 4.34 3.73 2bozM1 ARG 132 HB2 -0.39 0.19 0.17 -0.04 1.90 1.83 2bozM1 ARG 132 HB3 -0.80 0.21 0.13 -0.04 1.80 1.29 2bozM1 ARG 132 HG2 -0.74 0.00 -0.09 -0.04 1.67 0.80 2bozM1 ARG 132 HG3 -0.36 -0.09 0.04 -0.04 1.67 1.22 2bozM1 ARG 132 HD2 -0.28 -0.09 -0.10 -0.04 3.22 2.71 2bozM1 ARG 132 HD3 -1.02 0.04 0.01 -0.04 3.22 2.21 2bozM1 THR 133 H -0.43 0.62 -0.11 -0.55 8.28 7.81 2bozM1 THR 133 HA -0.36 -0.00 0.47 -0.75 4.39 3.74 2bozM1 THR 133 HB -0.27 0.30 0.29 -0.04 4.32 4.60 2bozM1 THR 133 HG23 -0.28 -0.04 -0.15 -0.04 1.22 0.71 2bozM1 TYR 134 H -0.49 0.46 -0.31 -0.55 8.29 7.40 2bozM1 TYR 134 HA -0.56 -0.04 0.50 -0.75 4.56 3.71 2bozM1 TYR 134 HB2 -1.28 0.01 0.11 -0.04 3.06 1.86 2bozM1 TYR 134 HB3 -0.69 0.21 0.25 -0.04 2.98 2.71 2bozM1 TYR 134 HD2 -0.59 0.01 -0.20 -0.04 7.15 6.33 2bozM1 TYR 134 HE2 -0.19 -0.00 -0.03 -0.04 6.85 6.59 2bozM1 LEU 135 H -0.18 0.70 0.15 -0.55 8.37 8.49 2bozM1 LEU 135 HA -0.09 0.03 0.49 -0.75 4.35 4.03 2bozM1 LEU 135 HB2 -0.17 0.03 0.10 -0.04 1.64 1.57 2bozM1 LEU 135 HB3 -0.13 -0.04 0.05 -0.04 1.64 1.48 2bozM1 LEU 135 HG -0.06 0.15 0.08 -0.04 1.64 1.77 2bozM1 LEU 135 HD13 -0.06 -0.02 -0.06 -0.04 0.93 0.75 2bozM1 LEU 135 HD23 0.01 -0.01 -0.00 -0.04 0.89 0.85 2bozM1 ARG 136 H -0.31 0.84 -0.09 -0.55 8.46 8.35 2bozM1 ARG 136 HA -0.35 0.03 0.49 -0.75 4.34 3.76 2bozM1 ARG 136 HB2 -0.29 0.05 0.09 -0.04 1.90 1.71 2bozM1 ARG 136 HB3 -0.27 -0.03 0.05 -0.04 1.80 1.50 2bozM1 ARG 136 HG2 -0.36 0.08 -0.03 -0.04 1.67 1.32 2bozM1 ARG 136 HG3 -0.29 -0.03 0.01 -0.04 1.67 1.32 2bozM1 ARG 136 HD2 -0.34 -0.06 -0.05 -0.04 3.22 2.72 2bozM1 ARG 136 HD3 -0.31 0.01 -0.04 -0.04 3.22 2.84 2bozM1 ALA 137 H -0.32 0.30 -0.38 -0.55 8.40 7.45 2bozM1 ALA 137 HA -0.22 0.01 0.44 -0.75 4.34 3.82 2bozM1 ALA 137 HB3 -0.34 0.06 0.07 -0.04 1.41 1.15 2bozM1 GLN 138 H -0.34 0.58 0.02 -0.55 8.47 8.18 2bozM1 GLN 138 HA -0.20 0.07 0.40 -0.75 4.36 3.87 2bozM1 GLN 138 HB2 -0.25 0.05 0.12 -0.04 2.15 2.04 2bozM1 GLN 138 HB3 -0.13 0.03 0.17 -0.04 2.02 2.05 2bozM1 GLN 138 HG2 -0.07 -0.00 -0.10 -0.04 2.40 2.19 2bozM1 GLN 138 HG3 -0.07 -0.01 0.05 -0.04 2.39 2.32 2bozM1 GLN 138 HE21 0.08 -0.02 -0.01 -0.04 6.97 6.98 2bozM1 GLN 138 HE22 0.07 -0.00 -0.01 -0.04 7.69 7.71 2bozM1 ALA 139 H -0.19 0.56 -0.33 -0.55 8.40 7.89 2bozM1 ALA 139 HA -0.11 0.04 0.22 -0.75 4.34 3.74 2bozM1 ALA 139 HB3 -0.19 0.01 -0.04 -0.04 1.41 1.15 2bozM1 LEU 140 H -0.15 0.33 -0.51 -0.55 8.37 7.50 2bozM1 LEU 140 HA -0.09 0.05 0.82 -0.75 4.35 4.39 2bozM1 LEU 140 HB2 -0.13 0.06 0.11 -0.04 1.64 1.64 2bozM1 LEU 140 HB3 -0.09 -0.08 0.13 -0.04 1.64 1.56 2bozM1 LEU 140 HG -0.14 0.01 -0.14 -0.04 1.64 1.32 2bozM1 LEU 140 HD13 -0.12 0.01 -0.01 -0.04 0.93 0.75 2bozM1 LEU 140 HD23 -0.08 -0.01 -0.13 -0.04 0.89 0.64 2bozM1 GLY 141 H -0.11 0.52 -0.20 -0.55 8.43 8.10 2bozM1 GLY 141 HA2 -0.08 0.04 0.33 -0.51 4.01 3.80 2bozM1 GLY 141 HA3 -0.06 -0.02 0.42 -0.51 4.01 3.85 2bozM1 MET 142 H -0.12 0.32 -0.22 -0.55 8.47 7.90 2bozM1 MET 142 HA -0.07 0.06 0.58 -0.75 4.52 4.34 2bozM1 MET 142 HB2 -0.14 -0.01 0.07 -0.04 2.15 2.03 2bozM1 MET 142 HB3 -0.09 -0.09 0.13 -0.04 2.03 1.93 2bozM1 MET 142 HG2 -0.08 -0.01 -0.02 -0.04 2.63 2.48 2bozM1 MET 142 HG3 -0.10 0.07 -0.15 -0.04 2.56 2.34 2bozM1 MET 142 HE3 -0.09 -0.02 0.02 -0.04 2.10 1.98 2bozM1 GLY 143 H -0.01 0.06 0.15 -0.55 8.43 8.08 2bozM1 GLY 143 HA2 -0.04 0.16 0.55 -0.51 4.01 4.17 2bozM1 GLY 143 HA3 0.16 -0.02 0.34 -0.51 4.01 3.99 2bozM1 LYS 144 H -0.22 0.18 0.10 -0.55 8.42 7.93 2bozM1 LYS 144 HA -0.50 0.22 0.63 -0.75 4.32 3.91 2bozM1 LYS 144 HB2 -0.67 0.03 0.11 -0.04 1.87 1.29 2bozM1 LYS 144 HB3 -1.10 -0.03 0.16 -0.04 1.79 0.78 2bozM1 LYS 144 HG2 -0.29 -0.01 0.01 -0.04 1.46 1.13 2bozM1 LYS 144 HG3 -0.50 0.03 0.01 -0.04 1.46 0.96 2bozM1 LYS 144 HD2 -1.45 0.01 0.02 -0.04 1.69 0.23 2bozM1 LYS 144 HD3 -0.56 0.07 -0.42 -0.04 1.68 0.72 2bozM1 LYS 144 HE2 -0.51 -0.04 -0.03 -0.04 2.99 2.37 2bozM1 LYS 144 HE3 -0.47 -0.02 -0.08 -0.04 2.99 2.37 2bozM1 HIS 145 H 0.08 0.20 -0.40 -0.55 8.41 7.74 2bozM1 HIS 145 HA 0.05 0.08 0.29 -0.75 4.63 4.29 2bozM1 HIS 145 HB2 -0.08 0.04 0.03 -0.04 3.26 3.22 2bozM1 HIS 145 HB3 -0.04 0.05 0.04 -0.04 3.20 3.21 2bozM1 HIS 145 HD2 0.02 0.04 -0.01 -0.04 6.97 6.98 2bozM1 HIS 145 HE1 0.00 0.03 0.04 -0.04 7.75 7.77 2bozM1 THR 146 H -0.11 0.16 -0.21 -0.55 8.28 7.57 2bozM1 THR 146 HA -0.02 0.09 0.38 -0.75 4.39 4.09 2bozM1 THR 146 HB -0.19 0.05 0.07 -0.04 4.32 4.21 2bozM1 THR 146 HG23 -0.10 0.02 -0.05 -0.04 1.22 1.05 2bozM1 ALA 147 H -0.36 0.13 -0.19 -0.55 8.40 7.43 2bozM1 ALA 147 HA -0.05 0.07 0.48 -0.75 4.34 4.09 2bozM1 ALA 147 HB3 -0.72 0.04 -0.00 -0.04 1.41 0.68 2bozM1 TRP 148 H -0.37 0.54 -0.11 -0.55 7.97 7.49 2bozM1 TRP 148 HA 0.20 0.06 0.47 -0.75 4.62 4.59 2bozM1 TRP 148 HB2 -0.06 0.03 0.09 -0.04 3.23 3.24 2bozM1 TRP 148 HB3 -0.04 -0.00 -0.00 -0.04 3.23 3.14 2bozM1 TRP 148 HD1 -0.19 -0.07 -0.14 -0.04 7.22 6.78 2bozM1 TRP 148 HE1 -0.06 -0.05 -0.05 -0.04 10.20 10.00 2bozM1 TRP 148 HE3 0.31 0.02 -0.10 -0.04 7.59 7.78 2bozM1 TRP 148 HZ2 0.17 0.00 -0.01 -0.04 7.44 7.56 2bozM1 TRP 148 HZ3 0.54 0.02 -0.06 -0.04 7.13 7.58 2bozM1 TRP 148 HH2 0.30 0.02 -0.03 -0.04 7.19 7.43 2bozM1 ALA 149 H 0.16 0.57 -0.08 -0.55 8.40 8.50 2bozM1 ALA 149 HA 0.04 0.03 0.46 -0.75 4.34 4.12 2bozM1 ALA 149 HB3 0.03 0.01 0.12 -0.04 1.41 1.53 2bozM1 PHE 150 H 0.30 0.68 -0.06 -0.55 8.34 8.71 2bozM1 PHE 150 HA 0.06 -0.01 0.48 -0.75 4.62 4.40 2bozM1 PHE 150 HB2 0.07 0.04 0.14 -0.04 3.15 3.36 2bozM1 PHE 150 HB3 0.23 0.08 0.20 -0.04 3.06 3.53 2bozM1 PHE 150 HD2 0.07 -0.03 0.07 -0.04 7.28 7.36 2bozM1 PHE 150 HE2 0.05 -0.01 -0.18 -0.04 7.38 7.20 2bozM1 PHE 150 HZ -0.12 0.01 -0.02 -0.04 7.32 7.15 2bozM1 LEU 151 H 0.37 0.52 -0.28 -0.55 8.37 8.43 2bozM1 LEU 151 HA -0.24 -0.04 0.35 -0.75 4.35 3.67 2bozM1 LEU 151 HB2 0.45 0.14 0.18 -0.04 1.64 2.37 2bozM1 LEU 151 HB3 0.23 0.16 0.10 -0.04 1.64 2.09 2bozM1 LEU 151 HG 0.03 -0.02 -0.03 -0.04 1.64 1.58 2bozM1 LEU 151 HD13 -0.45 -0.02 0.01 -0.04 0.93 0.44 2bozM1 LEU 151 HD23 0.22 -0.01 -0.01 -0.04 0.89 1.05 2bozM1 SER 152 H 0.13 0.38 -0.31 -0.55 8.46 8.11 2bozM1 SER 152 HA 0.15 0.04 0.46 -0.75 4.49 4.39 2bozM1 SER 152 HB2 0.04 -0.02 0.13 -0.04 3.95 4.06 2bozM1 SER 152 HB3 0.08 0.16 0.19 -0.04 3.93 4.32 2bozM1 ALA 153 H 0.14 0.37 -0.08 -0.55 8.40 8.28 2bozM1 ALA 153 HA 0.12 0.01 0.59 -0.75 4.34 4.31 2bozM1 ALA 153 HB3 0.15 0.03 0.13 -0.04 1.41 1.68 2bozM1 ILE 154 H -0.11 0.61 -0.02 -0.55 8.25 8.18 2bozM1 ILE 154 HA -0.04 -0.03 0.40 -0.75 4.18 3.76 2bozM1 ILE 154 HB -0.43 0.10 0.13 -0.04 1.89 1.65 2bozM1 ILE 154 HG12 -1.04 -0.04 -0.03 -0.04 1.49 0.34 2bozM1 ILE 154 HG13 -0.94 0.05 -0.01 -0.04 1.21 0.27 2bozM1 ILE 154 HG23 -0.74 -0.01 -0.10 -0.04 0.93 0.04 2bozM1 ILE 154 HD13 -1.48 -0.01 -0.13 -0.04 0.88 -0.78 2bozM1 TRP 155 H 0.25 0.46 -0.40 -0.55 7.97 7.72 2bozM1 TRP 155 HA 0.06 -0.02 0.39 -0.75 4.62 4.29 2bozM1 TRP 155 HB2 0.03 -0.02 0.10 -0.04 3.23 3.29 2bozM1 TRP 155 HB3 0.03 0.23 0.22 -0.04 3.23 3.66 2bozM1 TRP 155 HD1 0.03 0.21 0.11 -0.04 7.22 7.54 2bozM1 TRP 155 HE1 -0.01 0.08 0.07 -0.04 10.20 10.30 2bozM1 TRP 155 HE3 0.06 -0.02 0.03 -0.04 7.59 7.62 2bozM1 TRP 155 HZ2 -0.04 0.00 -0.16 -0.04 7.44 7.21 2bozM1 TRP 155 HZ3 0.05 -0.01 -0.02 -0.04 7.13 7.11 2bozM1 TRP 155 HH2 0.01 0.03 -0.04 -0.04 7.19 7.14 2bozM1 LEU 156 H 0.14 0.37 -0.10 -0.55 8.37 8.23 2bozM1 LEU 156 HA -0.35 0.01 0.45 -0.75 4.35 3.70 2bozM1 LEU 156 HB2 0.04 0.07 0.23 -0.04 1.64 1.93 2bozM1 LEU 156 HB3 0.08 0.10 0.25 -0.04 1.64 2.02 2bozM1 LEU 156 HG 0.02 0.01 -0.21 -0.04 1.64 1.42 2bozM1 LEU 156 HD13 -0.08 -0.02 -0.07 -0.04 0.93 0.72 2bozM1 LEU 156 HD23 0.07 -0.01 0.00 -0.04 0.89 0.91 2bozM1 TRP 157 H 0.22 0.47 -0.05 -0.55 7.97 8.06 2bozM1 TRP 157 HA -0.08 0.02 0.41 -0.75 4.62 4.22 2bozM1 TRP 157 HB2 -0.10 -0.01 0.09 -0.04 3.23 3.16 2bozM1 TRP 157 HB3 -0.16 0.07 0.16 -0.04 3.23 3.25 2bozM1 TRP 157 HD1 -0.10 0.01 0.01 -0.04 7.22 7.10 2bozM1 TRP 157 HE1 -0.20 0.01 -0.05 -0.04 10.20 9.91 2bozM1 TRP 157 HE3 -0.38 0.13 0.07 -0.04 7.59 7.37 2bozM1 TRP 157 HZ2 -0.22 -0.01 -0.24 -0.04 7.44 6.92 2bozM1 TRP 157 HZ3 -1.08 -0.02 -0.02 -0.04 7.13 5.97 2bozM1 TRP 157 HH2 -0.54 0.02 0.05 -0.04 7.19 6.68 2bozM1 MET 158 H 0.08 0.77 -0.11 -0.55 8.47 8.67 2bozM1 MET 158 HA -0.56 -0.00 0.50 -0.75 4.52 3.71 2bozM1 MET 158 HB2 0.08 0.18 0.20 -0.04 2.15 2.57 2bozM1 MET 158 HB3 0.11 -0.09 0.01 -0.04 2.03 2.01 2bozM1 MET 158 HG2 0.11 0.04 0.06 -0.04 2.63 2.80 2bozM1 MET 158 HG3 0.40 -0.04 -0.02 -0.04 2.56 2.86 2bozM1 MET 158 HE3 0.23 -0.00 -0.02 -0.04 2.10 2.27 2bozM1 VAL 159 H -0.32 0.67 -0.03 -0.55 8.24 8.02 2bozM1 VAL 159 HA -0.22 -0.12 0.55 -0.75 4.13 3.59 2bozM1 VAL 159 HB -0.52 0.12 0.28 -0.04 2.12 1.96 2bozM1 VAL 159 HG13 -0.21 0.01 -0.13 -0.04 0.97 0.61 2bozM1 VAL 159 HG23 -1.21 0.02 0.08 -0.04 0.95 -0.21 2bozM1 LEU 160 H -0.16 0.59 -0.06 -0.55 8.37 8.20 2bozM1 LEU 160 HA -0.02 0.07 0.32 -0.75 4.35 3.97 2bozM1 LEU 160 HB2 -0.10 0.05 0.18 -0.04 1.64 1.73 2bozM1 LEU 160 HB3 -0.19 -0.04 0.03 -0.04 1.64 1.39 2bozM1 LEU 160 HG -0.09 0.07 0.05 -0.04 1.64 1.63 2bozM1 LEU 160 HD13 -0.01 -0.04 -0.07 -0.04 0.93 0.77 2bozM1 LEU 160 HD23 -0.02 -0.00 -0.00 -0.04 0.89 0.82 2bozM1 GLY 161 H -0.19 0.40 -0.08 -0.55 8.43 8.02 2bozM1 GLY 161 HA2 0.13 0.08 0.64 -0.51 4.01 4.34 2bozM1 GLY 161 HA3 -0.07 -0.02 0.31 -0.51 4.01 3.72 2bozM1 PHE 162 H 0.09 0.35 -0.10 -0.55 8.34 8.12 2bozM1 PHE 162 HA 0.34 0.20 1.02 -0.75 4.62 5.43 2bozM1 PHE 162 HB2 -0.02 -0.04 -0.15 -0.04 3.15 2.89 2bozM1 PHE 162 HB3 -0.01 0.02 0.18 -0.04 3.06 3.21 2bozM1 PHE 162 HD2 0.16 0.03 -0.06 -0.04 7.28 7.36 2bozM1 PHE 162 HE2 0.11 -0.01 -0.04 -0.04 7.38 7.40 2bozM1 PHE 162 HZ 0.05 -0.02 -0.03 -0.04 7.32 7.28 2bozM1 ILE 163 H 0.14 0.60 0.26 -0.55 8.25 8.71 2bozM1 ILE 163 HA -0.04 0.03 0.40 -0.75 4.18 3.82 2bozM1 ILE 163 HB -0.04 0.00 0.13 -0.04 1.89 1.94 2bozM1 ILE 163 HG12 0.29 -0.01 -0.02 -0.04 1.49 1.71 2bozM1 ILE 163 HG13 0.28 0.02 -0.03 -0.04 1.21 1.45 2bozM1 ILE 163 HG23 0.06 0.00 -0.05 -0.04 0.93 0.90 2bozM1 ILE 163 HD13 0.17 -0.00 -0.07 -0.04 0.88 0.94 2bozM1 ARG 164 H -0.02 0.44 0.12 -0.55 8.46 8.45 2bozM1 ARG 164 HA -0.01 0.03 0.47 -0.75 4.34 4.07 2bozM1 ARG 164 HB2 0.00 -0.12 0.06 -0.04 1.90 1.80 2bozM1 ARG 164 HB3 0.08 0.20 0.05 -0.04 1.80 2.08 2bozM1 ARG 164 HG2 0.11 -0.05 -0.20 -0.04 1.67 1.49 2bozM1 ARG 164 HG3 0.07 0.01 0.03 -0.04 1.67 1.74 2bozM1 ARG 164 HD2 0.17 0.12 -0.08 -0.04 3.22 3.40 2bozM1 ARG 164 HD3 0.30 -0.04 -0.07 -0.04 3.22 3.38 2bozM1 PRO 165 HA -0.01 0.06 0.45 -0.51 4.44 4.43 2bozM1 PRO 165 HB2 0.10 0.03 -0.10 -0.04 2.28 2.28 2bozM1 PRO 165 HB3 0.13 0.03 0.05 -0.04 2.02 2.19 2bozM1 PRO 165 HG2 0.29 0.12 -0.29 -0.04 2.03 2.10 2bozM1 PRO 165 HG3 0.18 0.06 -0.26 -0.04 2.03 1.97 2bozM1 PRO 165 HD2 0.09 -0.14 -0.64 -0.04 3.68 2.95 2bozM1 PRO 165 HD3 0.10 0.29 -0.17 -0.04 3.65 3.83 2bozM1 ILE 166 H -0.22 0.50 -0.35 -0.55 8.25 7.63 2bozM1 ILE 166 HA -0.50 -0.05 0.36 -0.75 4.18 3.24 2bozM1 ILE 166 HB -0.32 0.15 0.21 -0.04 1.89 1.89 2bozM1 ILE 166 HG12 -0.62 -0.08 0.01 -0.04 1.49 0.76 2bozM1 ILE 166 HG13 -0.70 0.04 0.03 -0.04 1.21 0.53 2bozM1 ILE 166 HG23 -0.24 -0.03 -0.13 -0.04 0.93 0.49 2bozM1 ILE 166 HD13 -0.96 -0.03 -0.04 -0.04 0.88 -0.20 2bozM1 LEU 167 H -0.11 0.66 0.04 -0.55 8.37 8.41 2bozM1 LEU 167 HA -0.09 -0.02 0.45 -0.75 4.35 3.93 2bozM1 LEU 167 HB2 -0.03 0.09 0.11 -0.04 1.64 1.77 2bozM1 LEU 167 HB3 -0.03 -0.04 0.06 -0.04 1.64 1.58 2bozM1 LEU 167 HG -0.04 0.18 0.09 -0.04 1.64 1.83 2bozM1 LEU 167 HD13 0.01 -0.02 -0.03 -0.04 0.93 0.85 2bozM1 LEU 167 HD23 -0.04 -0.03 -0.01 -0.04 0.89 0.77 2bozM1 MET 168 H -0.08 0.58 -0.26 -0.55 8.47 8.16 2bozM1 MET 168 HA -0.05 0.07 0.59 -0.75 4.52 4.37 2bozM1 MET 168 HB2 -0.04 0.05 0.08 -0.04 2.15 2.19 2bozM1 MET 168 HB3 -0.03 -0.10 0.06 -0.04 2.03 1.92 2bozM1 MET 168 HG2 0.01 0.22 -0.01 -0.04 2.63 2.81 2bozM1 MET 168 HG3 0.05 -0.06 -0.07 -0.04 2.56 2.43 2bozM1 MET 168 HE3 -0.01 -0.01 -0.00 -0.04 2.10 2.04 2bozM1 GLY 169 H -0.19 0.39 -0.36 -0.55 8.43 7.72 2bozM1 GLY 169 HA2 -0.22 -0.03 0.29 -0.51 4.01 3.55 2bozM1 GLY 169 HA3 -0.14 0.06 0.54 -0.51 4.01 3.96 2bozM1 SER 170 H -0.20 0.46 -0.11 -0.55 8.46 8.07 2bozM1 SER 170 HA -0.32 0.03 -0.07 -0.75 4.49 3.38 2bozM1 SER 170 HB2 -0.04 -0.08 0.11 -0.04 3.95 3.90 2bozM1 SER 170 HB3 -0.09 0.18 0.05 -0.04 3.93 4.02 2bozM1 TRP 171 H -0.13 0.59 0.09 -0.55 7.97 7.98 2bozM1 TRP 171 HA -0.03 0.10 0.55 -0.75 4.62 4.48 2bozM1 TRP 171 HB2 -0.07 0.04 0.05 -0.04 3.23 3.21 2bozM1 TRP 171 HB3 -0.19 -0.04 0.11 -0.04 3.23 3.07 2bozM1 TRP 171 HD1 0.11 0.08 -0.05 -0.04 7.22 7.33 2bozM1 TRP 171 HE1 0.00 0.36 -0.13 -0.04 10.20 10.39 2bozM1 TRP 171 HE3 0.21 0.04 0.05 -0.04 7.59 7.85 2bozM1 TRP 171 HZ2 0.05 -0.02 0.00 -0.04 7.44 7.44 2bozM1 TRP 171 HZ3 0.04 0.06 0.11 -0.04 7.13 7.30 2bozM1 TRP 171 HH2 -0.08 -0.06 0.00 -0.04 7.19 7.01 2bozM1 SER 172 H 0.03 0.05 -0.40 -0.55 8.46 7.59 2bozM1 SER 172 HA -0.10 0.18 0.16 -0.75 4.49 3.97 2bozM1 SER 172 HB2 0.01 -0.05 0.04 -0.04 3.95 3.91 2bozM1 SER 172 HB3 0.03 -0.04 -0.30 -0.04 3.93 3.58 2bozM1 GLU 173 H 0.05 0.17 -0.76 -0.55 8.60 7.50 2bozM1 GLU 173 HA 0.19 0.06 0.44 -0.75 4.29 4.22 2bozM1 GLU 173 HB2 0.10 0.06 -0.02 -0.04 2.09 2.19 2bozM1 GLU 173 HB3 0.20 -0.01 -0.03 -0.04 1.99 2.11 2bozM1 GLU 173 HG2 0.02 -0.13 -0.11 -0.04 2.34 2.08 2bozM1 GLU 173 HG3 0.02 0.03 -0.03 -0.04 2.34 2.31 2bozM1 ALA 174 H 0.02 0.36 -0.26 -0.55 8.40 7.98 2bozM1 ALA 174 HA 0.12 0.23 0.48 -0.75 4.34 4.42 2bozM1 ALA 174 HB3 0.17 -0.03 0.13 -0.04 1.41 1.64 2bozM1 VAL 175 H -0.19 0.06 0.10 -0.55 8.24 7.67 2bozM1 VAL 175 HA -1.20 0.16 0.54 -0.75 4.13 2.87 2bozM1 VAL 175 HB -0.32 -0.08 0.06 -0.04 2.12 1.73 2bozM1 VAL 175 HG13 -0.37 0.05 0.02 -0.04 0.97 0.63 2bozM1 VAL 175 HG23 -1.36 0.01 -0.00 -0.04 0.95 -0.44 2bozM1 PRO 176 HA 0.03 0.19 0.61 -0.51 4.44 4.75 2bozM1 PRO 176 HB2 0.13 -0.08 -0.25 -0.04 2.28 2.04 2bozM1 PRO 176 HB3 0.04 0.04 -0.01 -0.04 2.02 2.04 2bozM1 PRO 176 HG2 0.13 -0.13 -0.31 -0.04 2.03 1.69 2bozM1 PRO 176 HG3 0.16 0.05 -0.08 -0.04 2.03 2.13 2bozM1 PRO 176 HD2 -0.29 0.01 0.18 -0.04 3.68 3.54 2bozM1 PRO 176 HD3 -0.11 0.30 0.18 -0.04 3.65 3.99 2bozM1 TYR 177 H 0.20 0.64 0.24 -0.55 8.29 8.82 2bozM1 TYR 177 HA 0.14 0.14 0.75 -0.75 4.56 4.83 2bozM1 TYR 177 HB2 0.10 -0.09 0.28 -0.04 3.06 3.30 2bozM1 TYR 177 HB3 -0.06 -0.03 0.07 -0.04 2.98 2.92 2bozM1 TYR 177 HD2 0.16 -0.03 0.00 -0.04 7.15 7.25 2bozM1 TYR 177 HE2 -0.38 0.01 -0.01 -0.04 6.85 6.43 2bozM1 GLY 178 H 0.18 0.43 0.13 -0.55 8.43 8.62 2bozM1 GLY 178 HA2 0.39 0.10 0.42 -0.51 4.01 4.41 2bozM1 GLY 178 HA3 0.24 0.12 0.38 -0.51 4.01 4.24 2bozM1 ILE 179 H -0.01 0.30 0.18 -0.55 8.25 8.16 2bozM1 ILE 179 HA 0.02 0.08 0.50 -0.75 4.18 4.02 2bozM1 ILE 179 HB -0.68 0.03 0.33 -0.04 1.89 1.53 2bozM1 ILE 179 HG12 -0.17 0.06 0.10 -0.04 1.49 1.44 2bozM1 ILE 179 HG13 -0.79 0.00 0.03 -0.04 1.21 0.41 2bozM1 ILE 179 HG23 -0.71 -0.00 -0.02 -0.04 0.93 0.15 2bozM1 ILE 179 HD13 -0.14 -0.00 -0.03 -0.04 0.88 0.66 2bozM1 PHE 180 H -0.14 0.73 0.25 -0.55 8.34 8.63 2bozM1 PHE 180 HA -0.06 0.05 0.48 -0.75 4.62 4.33 2bozM1 PHE 180 HB2 -0.23 0.17 0.15 -0.04 3.15 3.21 2bozM1 PHE 180 HB3 -0.14 -0.04 0.01 -0.04 3.06 2.85 2bozM1 PHE 180 HD2 -0.63 0.00 -0.14 -0.04 7.28 6.47 2bozM1 PHE 180 HE2 -0.30 0.01 -0.03 -0.04 7.38 7.02 2bozM1 PHE 180 HZ 0.10 0.01 -0.01 -0.04 7.32 7.39 2bozM1 SER 181 H 0.16 0.20 -0.19 -0.55 8.46 8.08 2bozM1 SER 181 HA 0.17 0.03 0.32 -0.75 4.49 4.25 2bozM1 SER 181 HB2 0.18 0.04 -0.07 -0.04 3.95 4.06 2bozM1 SER 181 HB3 0.16 0.08 -0.05 -0.04 3.93 4.08 2bozM1 HIS 182 H 0.33 0.42 -0.41 -0.55 8.41 8.20 2bozM1 HIS 182 HA 0.15 0.09 0.45 -0.75 4.63 4.56 2bozM1 HIS 182 HB2 -0.01 -0.00 0.15 -0.04 3.26 3.36 2bozM1 HIS 182 HB3 0.08 0.12 0.19 -0.04 3.20 3.54 2bozM1 HIS 182 HD2 0.05 -0.03 -0.01 -0.04 6.97 6.94 2bozM1 HIS 182 HE1 0.04 -0.07 0.05 -0.04 7.75 7.73 2bozM1 LEU 183 H 0.01 0.32 -0.27 -0.55 8.37 7.89 2bozM1 LEU 183 HA -0.15 0.03 0.56 -0.75 4.35 4.03 2bozM1 LEU 183 HB2 -0.02 0.11 0.19 -0.04 1.64 1.88 2bozM1 LEU 183 HB3 -0.06 -0.07 0.06 -0.04 1.64 1.53 2bozM1 LEU 183 HG -0.03 0.29 0.18 -0.04 1.64 2.04 2bozM1 LEU 183 HD13 0.05 -0.03 0.01 -0.04 0.93 0.92 2bozM1 LEU 183 HD23 -0.19 -0.02 0.00 -0.04 0.89 0.65 2bozM1 ASP 184 H 0.08 0.62 0.05 -0.55 8.40 8.60 2bozM1 ASP 184 HA 0.03 -0.04 0.48 -0.75 4.63 4.36 2bozM1 ASP 184 HB2 0.14 0.14 0.13 -0.04 2.71 3.08 2bozM1 ASP 184 HB3 0.08 -0.03 0.03 -0.04 2.70 2.73 2bozM1 TRP 185 H 0.32 0.56 -0.23 -0.55 7.97 8.07 2bozM1 TRP 185 HA 0.07 0.02 0.36 -0.75 4.62 4.32 2bozM1 TRP 185 HB2 0.08 0.05 0.12 -0.04 3.23 3.44 2bozM1 TRP 185 HB3 0.07 0.13 0.16 -0.04 3.23 3.55 2bozM1 TRP 185 HD1 0.06 -0.02 0.01 -0.04 7.22 7.23 2bozM1 TRP 185 HE1 0.10 0.28 -0.19 -0.04 10.20 10.34 2bozM1 TRP 185 HE3 0.01 0.03 -0.21 -0.04 7.59 7.38 2bozM1 TRP 185 HZ2 0.15 0.26 0.02 -0.04 7.44 7.83 2bozM1 TRP 185 HZ3 -0.25 -0.08 -0.03 -0.04 7.13 6.73 2bozM1 TRP 185 HH2 -0.42 -0.02 -0.01 -0.04 7.19 6.70 2bozM1 THR 186 H 0.32 0.40 -0.23 -0.55 8.28 8.23 2bozM1 THR 186 HA 0.11 0.02 0.43 -0.75 4.39 4.20 2bozM1 THR 186 HB 0.07 0.11 0.25 -0.04 4.32 4.71 2bozM1 THR 186 HG23 0.05 -0.03 -0.03 -0.04 1.22 1.17 2bozM1 ASN 187 H 0.02 0.61 0.03 -0.55 8.53 8.65 2bozM1 ASN 187 HA -0.04 -0.04 0.49 -0.75 4.76 4.41 2bozM1 ASN 187 HB2 -0.02 -0.00 0.13 -0.04 2.88 2.95 2bozM1 ASN 187 HB3 -0.01 0.12 0.19 -0.04 2.79 3.05 2bozM1 ASN 187 HD21 -0.02 -0.04 -0.05 -0.04 7.03 6.89 2bozM1 ASN 187 HD22 -0.02 0.04 -0.01 -0.04 7.74 7.71 2bozM1 ASN 188 H -0.04 0.69 -0.16 -0.55 8.53 8.48 2bozM1 ASN 188 HA -0.08 -0.07 0.39 -0.75 4.76 4.24 2bozM1 ASN 188 HB2 -0.06 0.40 0.23 -0.04 2.88 3.41 2bozM1 ASN 188 HB3 -0.25 0.14 0.05 -0.04 2.79 2.69 2bozM1 ASN 188 HD21 -0.02 -0.05 -0.01 -0.04 7.03 6.91 2bozM1 ASN 188 HD22 -0.01 0.07 0.00 -0.04 7.74 7.76 2bozM1 PHE 189 H -0.26 0.73 -0.05 -0.55 8.34 8.20 2bozM1 PHE 189 HA -0.28 0.05 0.43 -0.75 4.62 4.06 2bozM1 PHE 189 HB2 -1.33 0.16 0.15 -0.04 3.15 2.09 2bozM1 PHE 189 HB3 -0.44 0.03 0.17 -0.04 3.06 2.78 2bozM1 PHE 189 HD2 -0.53 -0.00 -0.12 -0.04 7.28 6.59 2bozM1 PHE 189 HE2 -0.11 0.01 -0.01 -0.04 7.38 7.23 2bozM1 PHE 189 HZ -0.22 0.17 0.08 -0.04 7.32 7.32 2bozM1 SER 190 H 0.01 0.51 -0.18 -0.55 8.46 8.26 2bozM1 SER 190 HA 0.07 -0.01 0.42 -0.75 4.49 4.21 2bozM1 SER 190 HB2 -0.09 0.04 0.15 -0.04 3.95 4.01 2bozM1 SER 190 HB3 -0.06 0.24 0.23 -0.04 3.93 4.30 2bozM1 LEU 191 H -0.05 0.58 -0.04 -0.55 8.37 8.30 2bozM1 LEU 191 HA -0.02 -0.08 0.28 -0.75 4.35 3.78 2bozM1 LEU 191 HB2 -0.07 0.17 0.20 -0.04 1.64 1.89 2bozM1 LEU 191 HB3 -0.05 -0.04 0.06 -0.04 1.64 1.57 2bozM1 LEU 191 HG -0.04 0.17 0.06 -0.04 1.64 1.79 2bozM1 LEU 191 HD13 -0.03 -0.01 -0.03 -0.04 0.93 0.81 2bozM1 LEU 191 HD23 -0.02 -0.03 0.01 -0.04 0.89 0.80 2bozM1 VAL 192 H -0.15 0.56 -0.22 -0.55 8.24 7.88 2bozM1 VAL 192 HA -0.18 0.01 0.31 -0.75 4.13 3.52 2bozM1 VAL 192 HB -0.28 0.28 0.16 -0.04 2.12 2.24 2bozM1 VAL 192 HG13 -0.61 0.01 -0.03 -0.04 0.97 0.29 2bozM1 VAL 192 HG23 -0.16 -0.04 0.03 -0.04 0.95 0.73 2bozM1 HIS 193 H -0.06 0.29 -0.31 -0.55 8.41 7.79 2bozM1 HIS 193 HA -0.10 0.52 0.97 -0.75 4.63 5.26 2bozM1 HIS 193 HB2 -0.02 -0.02 0.07 -0.04 3.26 3.25 2bozM1 HIS 193 HB3 0.14 -0.15 0.09 -0.04 3.20 3.24 2bozM1 HIS 193 HD2 -0.20 -0.01 0.04 -0.04 6.97 6.76 2bozM1 HIS 193 HE1 -0.97 0.01 -0.04 -0.04 7.75 6.71 2bozM1 GLY 194 H 0.02 0.46 -0.24 -0.55 8.43 8.12 2bozM1 GLY 194 HA2 0.08 0.11 0.33 -0.51 4.01 4.02 2bozM1 GLY 194 HA3 0.15 -0.16 0.29 -0.51 4.01 3.79 2bozM1 ASN 195 H 0.14 0.54 -0.14 -0.55 8.53 8.53 2bozM1 ASN 195 HA 0.06 -0.03 0.30 -0.75 4.76 4.34 2bozM1 ASN 195 HB2 0.17 0.03 -0.21 -0.04 2.88 2.83 2bozM1 ASN 195 HB3 0.50 0.25 0.42 -0.04 2.79 3.93 2bozM1 ASN 195 HD21 0.16 0.00 -0.03 -0.04 7.03 7.12 2bozM1 ASN 195 HD22 0.24 0.07 -0.02 -0.04 7.74 7.99 2bozM1 LEU 196 H -0.05 0.16 0.13 -0.55 8.37 8.07 2bozM1 LEU 196 HA -0.05 0.12 0.32 -0.75 4.35 3.98 2bozM1 LEU 196 HB2 -0.17 0.01 0.15 -0.04 1.64 1.59 2bozM1 LEU 196 HB3 -0.57 0.03 0.02 -0.04 1.64 1.07 2bozM1 LEU 196 HG -0.41 -0.08 0.12 -0.04 1.64 1.22 2bozM1 LEU 196 HD13 0.05 0.04 -0.04 -0.04 0.93 0.93 2bozM1 LEU 196 HD23 -0.52 0.02 -0.02 -0.04 0.89 0.33 2bozM1 PHE 197 H -0.07 0.07 -0.35 -0.55 8.34 7.43 2bozM1 PHE 197 HA 0.05 0.10 0.61 -0.75 4.62 4.63 2bozM1 PHE 197 HB2 -0.20 0.00 0.00 -0.04 3.15 2.92 2bozM1 PHE 197 HB3 -0.21 0.04 0.06 -0.04 3.06 2.92 2bozM1 PHE 197 HD2 -0.00 0.03 -0.03 -0.04 7.28 7.24 2bozM1 PHE 197 HE2 0.01 0.01 -0.04 -0.04 7.38 7.32 2bozM1 PHE 197 HZ 0.04 0.01 -0.02 -0.04 7.32 7.31 2bozM1 TYR 198 H 0.23 0.53 -0.26 -0.55 8.29 8.23 2bozM1 TYR 198 HA 0.24 0.22 0.90 -0.75 4.56 5.17 2bozM1 TYR 198 HB2 0.44 0.03 -0.19 -0.04 3.06 3.30 2bozM1 TYR 198 HB3 0.44 0.07 -0.11 -0.04 2.98 3.35 2bozM1 TYR 198 HD2 0.29 0.18 0.10 -0.04 7.15 7.67 2bozM1 TYR 198 HE2 0.21 -0.01 0.00 -0.04 6.85 7.01 2bozM1 ASN 199 H -0.07 0.37 -0.29 -0.55 8.53 7.99 2bozM1 ASN 199 HA -1.20 0.20 0.76 -0.75 4.76 3.77 2bozM1 ASN 199 HB2 -1.71 0.05 0.09 -0.04 2.88 1.27 2bozM1 ASN 199 HB3 -0.47 0.11 0.28 -0.04 2.79 2.67 2bozM1 ASN 199 HD21 -0.35 0.11 0.08 -0.04 7.03 6.83 2bozM1 ASN 199 HD22 -0.60 0.05 -0.00 -0.04 7.74 7.14 2bozM1 PRO 200 HA -0.04 0.07 0.28 -0.51 4.44 4.25 2bozM1 PRO 200 HB2 -0.14 0.02 -0.01 -0.04 2.28 2.11 2bozM1 PRO 200 HB3 0.14 0.10 0.08 -0.04 2.02 2.29 2bozM1 PRO 200 HG2 -0.27 -0.05 0.05 -0.04 2.03 1.72 2bozM1 PRO 200 HG3 0.22 0.13 0.05 -0.04 2.03 2.39 2bozM1 PRO 200 HD2 -0.70 0.07 0.27 -0.04 3.68 3.27 2bozM1 PRO 200 HD3 0.23 0.37 0.18 -0.04 3.65 4.39 2bozM1 PHE 201 H -0.15 0.16 -0.25 -0.55 8.34 7.55 2bozM1 PHE 201 HA 0.02 0.09 0.57 -0.75 4.62 4.55 2bozM1 PHE 201 HB2 -0.14 -0.02 0.07 -0.04 3.15 3.01 2bozM1 PHE 201 HB3 0.03 0.21 0.03 -0.04 3.06 3.29 2bozM1 PHE 201 HD2 0.00 -0.02 0.03 -0.04 7.28 7.25 2bozM1 PHE 201 HE2 0.10 0.02 -0.03 -0.04 7.38 7.43 2bozM1 PHE 201 HZ 0.11 0.02 -0.04 -0.04 7.32 7.38 2bozM1 HIS 202 H -0.03 0.16 -0.19 -0.55 8.41 7.80 2bozM1 HIS 202 HA 0.01 0.04 0.62 -0.75 4.63 4.55 2bozM1 HIS 202 HB2 -0.14 -0.04 0.12 -0.04 3.26 3.16 2bozM1 HIS 202 HB3 -0.13 0.31 0.22 -0.04 3.20 3.56 2bozM1 HIS 202 HD2 -0.00 -0.01 0.03 -0.04 6.97 6.93 2bozM1 HIS 202 HE1 -0.16 -0.05 -0.15 -0.04 7.75 7.36 2bozM1 LEU 203 H -0.03 0.55 -0.04 -0.55 8.37 8.30 2bozM1 LEU 203 HA -0.19 0.01 0.44 -0.75 4.35 3.86 2bozM1 LEU 203 HB2 -0.06 0.09 0.12 -0.04 1.64 1.74 2bozM1 LEU 203 HB3 -0.09 -0.03 0.03 -0.04 1.64 1.50 2bozM1 LEU 203 HG 0.01 0.12 -0.13 -0.04 1.64 1.60 2bozM1 LEU 203 HD13 -0.01 0.04 -0.02 -0.04 0.93 0.90 2bozM1 LEU 203 HD23 -0.02 -0.00 0.04 -0.04 0.89 0.86 2bozM1 LEU 204 H -0.04 0.54 -0.19 -0.55 8.37 8.13 2bozM1 LEU 204 HA -0.18 0.01 0.40 -0.75 4.35 3.82 2bozM1 LEU 204 HB2 0.06 0.12 0.23 -0.04 1.64 2.01 2bozM1 LEU 204 HB3 0.29 -0.01 -0.04 -0.04 1.64 1.83 2bozM1 LEU 204 HG 0.23 -0.03 0.02 -0.04 1.64 1.82 2bozM1 LEU 204 HD13 -0.11 -0.01 0.01 -0.04 0.93 0.78 2bozM1 LEU 204 HD23 -0.13 0.04 -0.03 -0.04 0.89 0.73 2bozM1 SER 205 H 0.08 0.46 -0.30 -0.55 8.46 8.16 2bozM1 SER 205 HA 0.28 0.02 0.46 -0.75 4.49 4.50 2bozM1 SER 205 HB2 0.15 0.19 0.22 -0.04 3.95 4.47 2bozM1 SER 205 HB3 0.02 0.14 0.16 -0.04 3.93 4.21 2bozM1 ILE 206 H -0.19 0.58 -0.15 -0.55 8.25 7.94 2bozM1 ILE 206 HA -0.28 -0.02 0.60 -0.75 4.18 3.74 2bozM1 ILE 206 HB -0.33 0.17 0.17 -0.04 1.89 1.86 2bozM1 ILE 206 HG12 -0.23 -0.06 0.03 -0.04 1.49 1.19 2bozM1 ILE 206 HG13 -0.44 0.13 0.04 -0.04 1.21 0.90 2bozM1 ILE 206 HG23 -0.77 -0.02 -0.09 -0.04 0.93 0.01 2bozM1 ILE 206 HD13 -0.25 -0.02 -0.07 -0.04 0.88 0.49 2bozM1 ALA 207 H -0.27 0.50 -0.13 -0.55 8.40 7.96 2bozM1 ALA 207 HA -0.20 -0.01 0.37 -0.75 4.34 3.73 2bozM1 ALA 207 HB3 -0.36 0.03 0.14 -0.04 1.41 1.18 2bozM1 PHE 208 H -0.16 0.59 -0.13 -0.55 8.34 8.08 2bozM1 PHE 208 HA 0.08 -0.01 0.44 -0.75 4.62 4.38 2bozM1 PHE 208 HB2 0.07 0.11 0.08 -0.04 3.15 3.36 2bozM1 PHE 208 HB3 0.10 0.17 0.07 -0.04 3.06 3.36 2bozM1 PHE 208 HD2 0.10 0.01 -0.11 -0.04 7.28 7.23 2bozM1 PHE 208 HE2 0.11 -0.04 -0.04 -0.04 7.38 7.37 2bozM1 PHE 208 HZ 0.07 -0.02 -0.02 -0.04 7.32 7.32 2bozM1 LEU 209 H 0.07 0.49 -0.14 -0.55 8.37 8.24 2bozM1 LEU 209 HA 0.15 0.03 0.58 -0.75 4.35 4.36 2bozM1 LEU 209 HB2 0.07 0.10 0.19 -0.04 1.64 1.96 2bozM1 LEU 209 HB3 -0.02 0.06 0.22 -0.04 1.64 1.87 2bozM1 LEU 209 HG 0.17 -0.04 -0.12 -0.04 1.64 1.61 2bozM1 LEU 209 HD13 0.12 -0.01 0.05 -0.04 0.93 1.05 2bozM1 LEU 209 HD23 0.11 -0.00 -0.00 -0.04 0.89 0.95 2bozM1 TYR 210 H 0.02 0.71 0.08 -0.55 8.29 8.54 2bozM1 TYR 210 HA 0.05 0.00 0.55 -0.75 4.56 4.40 2bozM1 TYR 210 HB2 -0.00 0.15 0.16 -0.04 3.06 3.33 2bozM1 TYR 210 HB3 0.01 -0.06 0.03 -0.04 2.98 2.92 2bozM1 TYR 210 HD2 0.01 -0.04 -0.01 -0.04 7.15 7.06 2bozM1 TYR 210 HE2 -0.00 -0.01 -0.01 -0.04 6.85 6.78 2bozM1 GLY 211 H 0.15 0.67 -0.16 -0.55 8.43 8.55 2bozM1 GLY 211 HA2 0.10 -0.04 0.35 -0.51 4.01 3.92 2bozM1 GLY 211 HA3 0.15 0.10 0.32 -0.51 4.01 4.06 2bozM1 SER 212 H 0.18 0.49 -0.38 -0.55 8.46 8.21 2bozM1 SER 212 HA 0.13 -0.03 0.48 -0.75 4.49 4.31 2bozM1 SER 212 HB2 0.16 0.19 0.21 -0.04 3.95 4.46 2bozM1 SER 212 HB3 0.14 -0.11 0.04 -0.04 3.93 3.97 2bozM1 ALA 213 H 0.15 0.45 -0.12 -0.55 8.40 8.34 2bozM1 ALA 213 HA 0.15 0.02 0.49 -0.75 4.34 4.24 2bozM1 ALA 213 HB3 0.10 0.03 0.13 -0.04 1.41 1.63 2bozM1 LEU 214 H 0.09 0.65 0.05 -0.55 8.37 8.62 2bozM1 LEU 214 HA 0.05 0.00 0.51 -0.75 4.35 4.16 2bozM1 LEU 214 HB2 0.04 0.01 0.10 -0.04 1.64 1.75 2bozM1 LEU 214 HB3 0.05 0.10 0.16 -0.04 1.64 1.92 2bozM1 LEU 214 HG -0.05 -0.01 -0.22 -0.04 1.64 1.33 2bozM1 LEU 214 HD13 0.02 -0.02 0.01 -0.04 0.93 0.90 2bozM1 LEU 214 HD23 0.00 0.00 -0.01 -0.04 0.89 0.84 2bozM1 LEU 215 H 0.07 0.65 -0.21 -0.55 8.37 8.33 2bozM1 LEU 215 HA -0.08 -0.00 0.31 -0.75 4.35 3.83 2bozM1 LEU 215 HB2 -0.00 0.14 0.13 -0.04 1.64 1.88 2bozM1 LEU 215 HB3 0.03 0.05 0.14 -0.04 1.64 1.82 2bozM1 LEU 215 HG -0.09 -0.05 -0.10 -0.04 1.64 1.35 2bozM1 LEU 215 HD13 -0.27 -0.02 0.02 -0.04 0.93 0.62 2bozM1 LEU 215 HD23 0.07 -0.02 -0.17 -0.04 0.89 0.73 2bozM1 PHE 216 H 0.21 0.70 -0.05 -0.55 8.34 8.65 2bozM1 PHE 216 HA 0.08 -0.04 0.55 -0.75 4.62 4.47 2bozM1 PHE 216 HB2 0.06 0.17 0.18 -0.04 3.15 3.52 2bozM1 PHE 216 HB3 0.06 0.04 0.07 -0.04 3.06 3.19 2bozM1 PHE 216 HD2 0.09 -0.06 0.12 -0.04 7.28 7.39 2bozM1 PHE 216 HE2 0.10 -0.01 0.00 -0.04 7.38 7.43 2bozM1 PHE 216 HZ 0.08 -0.00 0.00 -0.04 7.32 7.36 2bozM1 ALA 217 H 0.15 0.68 -0.15 -0.55 8.40 8.54 2bozM1 ALA 217 HA 0.05 0.01 0.51 -0.75 4.34 4.16 2bozM1 ALA 217 HB3 0.06 0.02 0.10 -0.04 1.41 1.55 2bozM1 MET 218 H 0.07 0.70 -0.00 -0.55 8.47 8.69 2bozM1 MET 218 HA 0.24 0.02 0.44 -0.75 4.52 4.46 2bozM1 MET 218 HB2 -0.14 0.08 0.21 -0.04 2.15 2.25 2bozM1 MET 218 HB3 -0.37 -0.08 0.01 -0.04 2.03 1.55 2bozM1 MET 218 HG2 0.08 -0.04 0.04 -0.04 2.63 2.66 2bozM1 MET 218 HG3 0.02 0.12 0.10 -0.04 2.56 2.76 2bozM1 MET 218 HE3 -1.32 -0.01 -0.03 -0.04 2.10 0.70 2bozM1 HIS 219 H 0.18 0.78 -0.06 -0.55 8.41 8.77 2bozM1 HIS 219 HA 0.04 -0.02 0.30 -0.75 4.63 4.20 2bozM1 HIS 219 HB2 -0.09 0.00 0.09 -0.04 3.26 3.22 2bozM1 HIS 219 HB3 0.09 0.06 0.16 -0.04 3.20 3.47 2bozM1 HIS 219 HD2 0.07 0.03 -0.08 -0.04 6.97 6.94 2bozM1 HIS 219 HE1 -0.02 -0.02 -0.04 -0.04 7.75 7.62 2bozM1 GLY 220 H 0.27 0.69 0.03 -0.55 8.43 8.88 2bozM1 GLY 220 HA2 -0.03 -0.05 0.39 -0.51 4.01 3.81 2bozM1 GLY 220 HA3 -0.03 0.12 0.37 -0.51 4.01 3.96 2bozM1 ALA 221 H 0.03 0.59 -0.28 -0.55 8.40 8.19 2bozM1 ALA 221 HA -0.06 -0.01 0.34 -0.75 4.34 3.85 2bozM1 ALA 221 HB3 -0.00 0.02 0.12 -0.04 1.41 1.50 2bozM1 THR 222 H 0.05 0.54 -0.13 -0.55 8.28 8.19 2bozM1 THR 222 HA -0.09 0.00 0.31 -0.75 4.39 3.86 2bozM1 THR 222 HB 0.11 0.06 0.20 -0.04 4.32 4.65 2bozM1 THR 222 HG23 0.18 -0.03 -0.07 -0.04 1.22 1.26 2bozM1 ILE 223 H -0.13 0.69 -0.09 -0.55 8.25 8.17 2bozM1 ILE 223 HA -0.03 -0.06 0.28 -0.75 4.18 3.61 2bozM1 ILE 223 HB -0.20 0.17 0.09 -0.04 1.89 1.91 2bozM1 ILE 223 HG12 -0.39 0.08 0.02 -0.04 1.49 1.16 2bozM1 ILE 223 HG13 -0.37 -0.04 -0.05 -0.04 1.21 0.72 2bozM1 ILE 223 HG23 -0.04 -0.03 -0.27 -0.04 0.93 0.55 2bozM1 ILE 223 HD13 0.06 -0.00 -0.14 -0.04 0.88 0.76 2bozM1 LEU 224 H -0.09 0.61 -0.10 -0.55 8.37 8.25 2bozM1 LEU 224 HA -0.09 -0.02 0.65 -0.75 4.35 4.14 2bozM1 LEU 224 HB2 -0.10 0.08 0.15 -0.04 1.64 1.73 2bozM1 LEU 224 HB3 -0.13 0.05 0.03 -0.04 1.64 1.55 2bozM1 LEU 224 HG -0.11 0.14 0.10 -0.04 1.64 1.73 2bozM1 LEU 224 HD13 -0.14 -0.01 -0.03 -0.04 0.93 0.71 2bozM1 LEU 224 HD23 -0.13 0.00 0.05 -0.04 0.89 0.77 2bozM1 ALA 225 H -0.09 0.81 -0.04 -0.55 8.40 8.53 2bozM1 ALA 225 HA -0.08 0.02 0.47 -0.75 4.34 3.99 2bozM1 ALA 225 HB3 -0.13 0.02 0.10 -0.04 1.41 1.36 2bozM1 VAL 226 H -0.01 0.45 -0.29 -0.55 8.24 7.84 2bozM1 VAL 226 HA 0.20 0.20 0.96 -0.75 4.13 4.74 2bozM1 VAL 226 HB 0.26 -0.20 0.20 -0.04 2.12 2.34 2bozM1 VAL 226 HG13 0.07 0.04 -0.07 -0.04 0.97 0.98 2bozM1 VAL 226 HG23 0.05 0.04 -0.06 -0.04 0.95 0.94 2bozM1 SER 227 H -0.04 0.62 -0.25 -0.55 8.46 8.24 2bozM1 SER 227 HA -0.00 -0.24 0.48 -0.75 4.49 3.97 2bozM1 SER 227 HB2 -0.03 -0.09 0.13 -0.04 3.95 3.91 2bozM1 SER 227 HB3 -0.05 0.11 0.20 -0.04 3.93 4.15 2bozM1 ARG 228 H -0.18 0.28 -0.35 -0.55 8.46 7.66 2bozM1 ARG 228 HA -0.17 0.09 0.53 -0.75 4.34 4.02 2bozM1 ARG 228 HB2 -0.39 -0.01 0.11 -0.04 1.90 1.57 2bozM1 ARG 228 HB3 -0.25 0.06 0.06 -0.04 1.80 1.64 2bozM1 ARG 228 HG2 -0.57 0.02 -0.07 -0.04 1.67 1.02 2bozM1 ARG 228 HG3 -2.15 -0.03 -0.33 -0.04 1.67 -0.89 2bozM1 ARG 228 HD2 -0.24 0.02 0.01 -0.04 3.22 2.96 2bozM1 ARG 228 HD3 -0.40 -0.05 -0.01 -0.04 3.22 2.71 2bozM1 PHE 229 H -0.09 0.46 -0.51 -0.55 8.34 7.66 2bozM1 PHE 229 HA 0.00 0.25 0.81 -0.75 4.62 4.92 2bozM1 PHE 229 HB2 -0.00 -0.05 0.10 -0.04 3.15 3.16 2bozM1 PHE 229 HB3 -0.00 -0.11 0.16 -0.04 3.06 3.07 2bozM1 PHE 229 HD2 -0.01 0.01 0.02 -0.04 7.28 7.27 2bozM1 PHE 229 HE2 -0.01 0.05 -0.02 -0.04 7.38 7.36 2bozM1 PHE 229 HZ -0.01 0.03 -0.03 -0.04 7.32 7.27 2bozM1 GLY 230 H 0.01 0.52 -0.13 -0.55 8.43 8.28 2bozM1 GLY 230 HA2 0.02 0.06 0.35 -0.51 4.01 3.94 2bozM1 GLY 230 HA3 0.05 0.08 0.47 -0.51 4.01 4.09 2bozM1 GLY 231 H 0.07 0.40 -0.13 -0.55 8.43 8.22 2bozM1 GLY 231 HA2 0.07 -0.05 0.13 -0.51 4.01 3.65 2bozM1 GLY 231 HA3 0.06 0.11 0.08 -0.51 4.01 3.75 2bozM1 GLU 232 H 0.02 0.09 -0.42 -0.55 8.60 7.74 2bozM1 GLU 232 HA 0.03 0.11 0.36 -0.75 4.29 4.04 2bozM1 GLU 232 HB2 -0.00 0.01 0.09 -0.04 2.09 2.15 2bozM1 GLU 232 HB3 -0.01 0.06 -0.01 -0.04 1.99 1.98 2bozM1 GLU 232 HG2 0.00 -0.01 -0.31 -0.04 2.34 1.98 2bozM1 GLU 232 HG3 -0.01 0.04 -0.04 -0.04 2.34 2.29 2bozM1 ARG 233 H 0.02 0.47 -0.29 -0.55 8.46 8.11 2bozM1 ARG 233 HA 0.01 0.07 0.72 -0.75 4.34 4.38 2bozM1 ARG 233 HB2 0.02 0.16 0.21 -0.04 1.90 2.25 2bozM1 ARG 233 HB3 0.01 -0.10 0.15 -0.04 1.80 1.81 2bozM1 ARG 233 HG2 0.01 0.00 0.04 -0.04 1.67 1.67 2bozM1 ARG 233 HG3 0.01 -0.06 -0.05 -0.04 1.67 1.53 2bozM1 ARG 233 HD2 0.01 0.01 0.03 -0.04 3.22 3.23 2bozM1 ARG 233 HD3 0.02 0.04 0.10 -0.04 3.22 3.34 2bozM1 GLU 234 H 0.01 0.48 -0.17 -0.55 8.60 8.38 2bozM1 GLU 234 HA 0.05 0.11 0.30 -0.75 4.29 4.00 2bozM1 GLU 234 HB2 -0.03 -0.00 0.11 -0.04 2.09 2.12 2bozM1 GLU 234 HB3 0.03 0.00 -0.01 -0.04 1.99 1.98 2bozM1 GLU 234 HG2 0.15 0.05 0.02 -0.04 2.34 2.52 2bozM1 GLU 234 HG3 0.08 0.06 -0.03 -0.04 2.34 2.41 2bozM1 LEU 235 H -0.03 0.16 -0.04 -0.55 8.37 7.91 2bozM1 LEU 235 HA -0.03 0.07 0.49 -0.75 4.35 4.14 2bozM1 LEU 235 HB2 -0.02 0.01 0.07 -0.04 1.64 1.65 2bozM1 LEU 235 HB3 -0.03 0.06 0.01 -0.04 1.64 1.64 2bozM1 LEU 235 HG -0.06 -0.05 0.09 -0.04 1.64 1.57 2bozM1 LEU 235 HD13 -0.05 0.02 0.03 -0.04 0.93 0.89 2bozM1 LEU 235 HD23 -0.07 0.01 0.02 -0.04 0.89 0.80 2bozM1 GLU 236 H 0.00 0.15 -0.24 -0.55 8.60 7.97 2bozM1 GLU 236 HA 0.00 0.08 0.40 -0.75 4.29 4.02 2bozM1 GLU 236 HB2 0.00 -0.05 0.07 -0.04 2.09 2.07 2bozM1 GLU 236 HB3 0.01 0.11 0.02 -0.04 1.99 2.09 2bozM1 GLU 236 HG2 0.01 0.02 -0.00 -0.04 2.34 2.32 2bozM1 GLU 236 HG3 0.01 0.05 -0.01 -0.04 2.34 2.36 2bozM1 GLN 237 H 0.02 0.32 -0.35 -0.55 8.47 7.92 2bozM1 GLN 237 HA 0.03 0.17 0.36 -0.75 4.36 4.17 2bozM1 GLN 237 HB2 0.05 0.13 0.11 -0.04 2.15 2.40 2bozM1 GLN 237 HB3 0.05 -0.18 0.03 -0.04 2.02 1.88 2bozM1 GLN 237 HG2 0.04 0.13 -0.01 -0.04 2.40 2.51 2bozM1 GLN 237 HG3 0.05 0.09 -0.09 -0.04 2.39 2.40 2bozM1 GLN 237 HE21 0.04 -0.19 0.06 -0.04 6.97 6.84 2bozM1 GLN 237 HE22 0.05 0.18 -0.04 -0.04 7.69 7.84 2bozM1 ILE 238 H 0.02 0.47 -0.20 -0.55 8.25 7.99 2bozM1 ILE 238 HA 0.04 -0.10 0.53 -0.75 4.18 3.89 2bozM1 ILE 238 HB 0.00 0.15 0.21 -0.04 1.89 2.22 2bozM1 ILE 238 HG12 0.05 -0.22 -0.09 -0.04 1.49 1.19 2bozM1 ILE 238 HG13 0.05 0.04 -0.14 -0.04 1.21 1.12 2bozM1 ILE 238 HG23 0.01 -0.01 -0.12 -0.04 0.93 0.77 2bozM1 ILE 238 HD13 -0.02 0.01 -0.16 -0.04 0.88 0.66 2bozM1 ALA 239 H 0.01 0.51 -0.09 -0.55 8.40 8.28 2bozM1 ALA 239 HA 0.01 0.02 0.41 -0.75 4.34 4.02 2bozM1 ALA 239 HB3 0.00 -0.01 0.09 -0.04 1.41 1.45 2bozM1 ASP 240 H 0.02 0.15 -0.79 -0.55 8.40 7.23 2bozM1 ASP 240 HA 0.01 0.04 0.67 -0.75 4.63 4.60 2bozM1 ASP 240 HB2 0.01 0.03 -0.36 -0.04 2.71 2.35 2bozM1 ASP 240 HB3 0.01 0.03 0.04 -0.04 2.70 2.74 2bozM1 ARG 241 H 0.02 0.11 0.05 -0.55 8.46 8.08 2bozM1 ARG 241 HA 0.02 0.05 0.44 -0.75 4.34 4.10 2bozM1 ARG 241 HB2 0.02 0.03 0.18 -0.04 1.90 2.09 2bozM1 ARG 241 HB3 0.01 -0.01 0.11 -0.04 1.80 1.87 2bozM1 ARG 241 HG2 0.01 -0.05 0.06 -0.04 1.67 1.64 2bozM1 ARG 241 HG3 0.02 -0.06 0.05 -0.04 1.67 1.65 2bozM1 ARG 241 HD2 -0.00 0.01 -0.11 -0.04 3.22 3.07 2bozM1 ARG 241 HD3 0.00 -0.03 -0.06 -0.04 3.22 3.09 2bozM1 GLY 242 H 0.01 -0.03 0.27 -0.55 8.43 8.13 2bozM1 GLY 242 HA2 0.00 0.30 0.95 -0.51 4.01 4.75 2bozM1 GLY 242 HA3 0.01 0.05 0.44 -0.51 4.01 4.00 2bozM1 THR 243 H -0.03 0.25 0.19 -0.55 8.28 8.14 2bozM1 THR 243 HA -0.12 0.09 0.48 -0.75 4.39 4.09 2bozM1 THR 243 HB -0.10 0.05 0.16 -0.04 4.32 4.39 2bozM1 THR 243 HG23 -0.26 0.02 0.01 -0.04 1.22 0.96 2bozM1 ALA 244 H -0.01 0.16 -0.18 -0.55 8.40 7.82 2bozM1 ALA 244 HA -0.01 0.11 0.48 -0.75 4.34 4.16 2bozM1 ALA 244 HB3 0.12 0.04 -0.03 -0.04 1.41 1.50 2bozM1 ALA 245 H 0.01 0.12 -0.10 -0.55 8.40 7.88 2bozM1 ALA 245 HA 0.04 0.05 0.39 -0.75 4.34 4.08 2bozM1 ALA 245 HB3 0.03 0.02 0.10 -0.04 1.41 1.52 2bozM1 GLU 246 H -0.05 0.42 -0.18 -0.55 8.60 8.24 2bozM1 GLU 246 HA -0.05 0.05 0.55 -0.75 4.29 4.10 2bozM1 GLU 246 HB2 -0.10 0.06 0.13 -0.04 2.09 2.13 2bozM1 GLU 246 HB3 -0.08 0.00 0.01 -0.04 1.99 1.88 2bozM1 GLU 246 HG2 -0.03 -0.03 -0.01 -0.04 2.34 2.23 2bozM1 GLU 246 HG3 -0.03 0.14 -0.04 -0.04 2.34 2.36 2bozM1 ARG 247 H -0.16 0.67 -0.03 -0.55 8.46 8.38 2bozM1 ARG 247 HA -0.24 0.03 0.38 -0.75 4.34 3.76 2bozM1 ARG 247 HB2 -0.19 0.07 0.13 -0.04 1.90 1.87 2bozM1 ARG 247 HB3 -0.15 -0.01 0.03 -0.04 1.80 1.63 2bozM1 ARG 247 HG2 -0.25 -0.04 0.03 -0.04 1.67 1.37 2bozM1 ARG 247 HG3 -0.33 0.17 0.15 -0.04 1.67 1.62 2bozM1 ARG 247 HD2 -1.20 -0.01 -0.05 -0.04 3.22 1.92 2bozM1 ARG 247 HD3 -0.38 0.01 -0.01 -0.04 3.22 2.80 2bozM1 ALA 248 H -0.04 0.48 -0.19 -0.55 8.40 8.11 2bozM1 ALA 248 HA 0.02 0.07 0.44 -0.75 4.34 4.11 2bozM1 ALA 248 HB3 0.09 0.02 0.04 -0.04 1.41 1.52 2bozM1 ALA 249 H 0.01 0.55 -0.12 -0.55 8.40 8.30 2bozM1 ALA 249 HA 0.12 -0.08 0.42 -0.75 4.34 4.05 2bozM1 ALA 249 HB3 0.01 0.03 0.13 -0.04 1.41 1.54 2bozM1 LEU 250 H -0.21 0.50 -0.22 -0.55 8.37 7.90 2bozM1 LEU 250 HA -0.46 -0.00 0.39 -0.75 4.35 3.53 2bozM1 LEU 250 HB2 -0.61 0.09 0.10 -0.04 1.64 1.17 2bozM1 LEU 250 HB3 -1.56 -0.03 0.01 -0.04 1.64 0.02 2bozM1 LEU 250 HG -0.23 0.11 0.04 -0.04 1.64 1.53 2bozM1 LEU 250 HD13 -0.19 -0.02 -0.07 -0.04 0.93 0.62 2bozM1 LEU 250 HD23 -0.16 -0.01 -0.05 -0.04 0.89 0.62 2bozM1 PHE 251 H -0.21 0.59 -0.15 -0.55 8.34 8.02 2bozM1 PHE 251 HA -0.38 0.03 0.52 -0.75 4.62 4.03 2bozM1 PHE 251 HB2 -0.35 0.02 0.13 -0.04 3.15 2.91 2bozM1 PHE 251 HB3 -0.52 0.11 0.17 -0.04 3.06 2.78 2bozM1 PHE 251 HD2 -1.43 0.00 -0.13 -0.04 7.28 5.68 2bozM1 PHE 251 HE2 -1.33 -0.01 -0.03 -0.04 7.38 5.96 2bozM1 PHE 251 HZ -0.41 -0.00 -0.02 -0.04 7.32 6.84 2bozM1 TRP 252 H 0.01 0.36 -0.24 -0.55 7.97 7.56 2bozM1 TRP 252 HA -0.11 0.03 0.48 -0.75 4.62 4.26 2bozM1 TRP 252 HB2 -0.10 0.04 0.22 -0.04 3.23 3.35 2bozM1 TRP 252 HB3 -0.22 0.05 0.13 -0.04 3.23 3.15 2bozM1 TRP 252 HD1 0.02 0.11 0.01 -0.04 7.22 7.32 2bozM1 TRP 252 HE1 -0.04 -0.01 -0.02 -0.04 10.20 10.10 2bozM1 TRP 252 HE3 -0.06 -0.02 0.06 -0.04 7.59 7.53 2bozM1 TRP 252 HZ2 -0.05 0.06 0.03 -0.04 7.44 7.44 2bozM1 TRP 252 HZ3 0.08 0.01 -0.01 -0.04 7.13 7.17 2bozM1 TRP 252 HH2 0.09 0.01 -0.00 -0.04 7.19 7.24 2bozM1 ARG 253 H -0.02 0.59 0.04 -0.55 8.46 8.51 2bozM1 ARG 253 HA 0.09 -0.01 0.32 -0.75 4.34 3.98 2bozM1 ARG 253 HB2 0.03 -0.02 -0.09 -0.04 1.90 1.78 2bozM1 ARG 253 HB3 -0.11 0.02 0.05 -0.04 1.80 1.71 2bozM1 ARG 253 HG2 0.27 0.03 -0.25 -0.04 1.67 1.68 2bozM1 ARG 253 HG3 0.16 0.01 -0.18 -0.04 1.67 1.61 2bozM1 ARG 253 HD2 0.07 -0.03 -0.10 -0.04 3.22 3.12 2bozM1 ARG 253 HD3 0.16 -0.01 -0.08 -0.04 3.22 3.25 2bozM1 TRP 254 H -0.13 0.62 -0.26 -0.55 7.97 7.64 2bozM1 TRP 254 HA -0.07 0.04 0.39 -0.75 4.62 4.23 2bozM1 TRP 254 HB2 -0.24 0.12 0.11 -0.04 3.23 3.18 2bozM1 TRP 254 HB3 -0.14 -0.06 0.05 -0.04 3.23 3.04 2bozM1 TRP 254 HD1 -0.03 -0.03 -0.24 -0.04 7.22 6.87 2bozM1 TRP 254 HE1 -0.02 -0.04 -0.04 -0.04 10.20 10.05 2bozM1 TRP 254 HE3 -0.11 0.02 -0.02 -0.04 7.59 7.44 2bozM1 TRP 254 HZ2 -0.02 -0.03 -0.03 -0.04 7.44 7.32 2bozM1 TRP 254 HZ3 -0.04 -0.02 -0.03 -0.04 7.13 7.00 2bozM1 TRP 254 HH2 -0.02 -0.03 -0.03 -0.04 7.19 7.06 2bozM1 THR 255 H -0.16 0.25 -0.31 -0.55 8.28 7.51 2bozM1 THR 255 HA -0.12 0.04 0.56 -0.75 4.39 4.12 2bozM1 THR 255 HB -0.18 -0.02 0.25 -0.04 4.32 4.33 2bozM1 THR 255 HG23 -0.07 -0.03 -0.03 -0.04 1.22 1.05 2bozM1 MET 256 H 0.07 0.74 0.18 -0.55 8.47 8.92 2bozM1 MET 256 HA 0.11 0.21 0.83 -0.75 4.52 4.92 2bozM1 MET 256 HB2 0.15 -0.04 0.12 -0.04 2.15 2.34 2bozM1 MET 256 HB3 0.16 -0.04 -0.10 -0.04 2.03 2.01 2bozM1 MET 256 HG2 0.13 0.15 0.14 -0.04 2.63 3.01 2bozM1 MET 256 HG3 -0.30 -0.08 -0.12 -0.04 2.56 2.02 2bozM1 MET 256 HE3 -0.94 -0.00 -0.08 -0.04 2.10 1.03 2bozM1 GLY 257 H 0.12 0.38 0.01 -0.55 8.43 8.40 2bozM1 GLY 257 HA2 0.16 0.10 0.36 -0.51 4.01 4.12 2bozM1 GLY 257 HA3 0.19 0.05 0.44 -0.51 4.01 4.18 2bozM1 PHE 258 H 0.09 0.29 -0.21 -0.55 8.34 7.95 2bozM1 PHE 258 HA 0.08 0.09 0.43 -0.75 4.62 4.45 2bozM1 PHE 258 HB2 0.07 -0.08 0.15 -0.04 3.15 3.25 2bozM1 PHE 258 HB3 0.06 0.14 -0.10 -0.04 3.06 3.11 2bozM1 PHE 258 HD2 0.04 0.09 -0.17 -0.04 7.28 7.20 2bozM1 PHE 258 HE2 -0.16 -0.00 -0.08 -0.04 7.38 7.10 2bozM1 PHE 258 HZ -0.22 -0.02 -0.07 -0.04 7.32 6.96 2bozM1 ASN 259 H 0.23 0.29 0.18 -0.55 8.53 8.67 2bozM1 ASN 259 HA -0.18 0.12 0.70 -0.75 4.76 4.65 2bozM1 ASN 259 HB2 0.07 -0.08 0.21 -0.04 2.88 3.04 2bozM1 ASN 259 HB3 0.05 0.10 -0.23 -0.04 2.79 2.68 2bozM1 ASN 259 HD21 0.07 -0.06 -0.14 -0.04 7.03 6.86 2bozM1 ASN 259 HD22 0.07 0.39 -0.21 -0.04 7.74 7.96 2bozM1 ALA 260 H 0.01 0.15 0.14 -0.55 8.40 8.16 2bozM1 ALA 260 HA 0.18 0.21 0.84 -0.75 4.34 4.82 2bozM1 ALA 260 HB3 0.03 -0.01 0.02 -0.04 1.41 1.41 2bozM1 THR 261 H 0.13 0.03 0.18 -0.55 8.28 8.07 2bozM1 THR 261 HA 0.07 0.32 0.78 -0.75 4.39 4.80 2bozM1 THR 261 HB 0.07 0.00 0.19 -0.04 4.32 4.54 2bozM1 THR 261 HG23 0.07 0.06 -0.03 -0.04 1.22 1.29 2bozM1 MET 262 H 0.08 0.25 0.12 -0.55 8.47 8.37 2bozM1 MET 262 HA 0.14 0.13 0.37 -0.75 4.52 4.41 2bozM1 MET 262 HB2 0.09 0.01 0.07 -0.04 2.15 2.27 2bozM1 MET 262 HB3 0.08 0.05 -0.02 -0.04 2.03 2.09 2bozM1 MET 262 HG2 0.09 0.06 -0.02 -0.04 2.63 2.72 2bozM1 MET 262 HG3 0.16 -0.02 -0.03 -0.04 2.56 2.63 2bozM1 MET 262 HE3 0.08 0.04 -0.04 -0.04 2.10 2.15 2bozM1 GLU 263 H 0.09 0.08 -0.10 -0.55 8.60 8.12 2bozM1 GLU 263 HA 0.14 0.20 0.65 -0.75 4.29 4.53 2bozM1 GLU 263 HB2 0.05 0.06 0.09 -0.04 2.09 2.25 2bozM1 GLU 263 HB3 0.06 -0.01 0.07 -0.04 1.99 2.07 2bozM1 GLU 263 HG2 0.05 -0.05 -0.12 -0.04 2.34 2.18 2bozM1 GLU 263 HG3 0.02 0.02 0.04 -0.04 2.34 2.37 2bozM1 GLY 264 H 0.10 0.02 -0.14 -0.55 8.43 7.86 2bozM1 GLY 264 HA2 0.07 0.09 0.21 -0.51 4.01 3.87 2bozM1 GLY 264 HA3 0.11 0.06 0.32 -0.51 4.01 3.99 2bozM1 ILE 265 H 0.07 0.54 -0.23 -0.55 8.25 8.07 2bozM1 ILE 265 HA 0.18 0.04 0.45 -0.75 4.18 4.10 2bozM1 ILE 265 HB -0.07 0.02 0.06 -0.04 1.89 1.86 2bozM1 ILE 265 HG12 -0.27 0.04 -0.03 -0.04 1.49 1.19 2bozM1 ILE 265 HG13 -0.65 -0.02 -0.06 -0.04 1.21 0.44 2bozM1 ILE 265 HG23 -0.49 0.04 -0.08 -0.04 0.93 0.35 2bozM1 ILE 265 HD13 -0.24 -0.01 0.04 -0.04 0.88 0.63 2bozM1 HIS 266 H -0.01 0.43 -0.34 -0.55 8.41 7.94 2bozM1 HIS 266 HA -0.11 0.05 0.50 -0.75 4.63 4.31 2bozM1 HIS 266 HB2 -0.04 0.20 0.17 -0.04 3.26 3.55 2bozM1 HIS 266 HB3 -0.07 -0.06 0.10 -0.04 3.20 3.13 2bozM1 HIS 266 HD2 -0.08 -0.02 0.01 -0.04 6.97 6.83 2bozM1 HIS 266 HE1 0.13 -0.02 0.05 -0.04 7.75 7.86 2bozM1 ARG 267 H 0.08 0.28 -0.25 -0.55 8.46 8.01 2bozM1 ARG 267 HA 0.13 0.04 0.59 -0.75 4.34 4.35 2bozM1 ARG 267 HB2 -0.03 0.15 0.17 -0.04 1.90 2.14 2bozM1 ARG 267 HB3 0.08 0.01 0.01 -0.04 1.80 1.85 2bozM1 ARG 267 HG2 0.10 -0.02 -0.03 -0.04 1.67 1.67 2bozM1 ARG 267 HG3 0.06 0.01 -0.04 -0.04 1.67 1.66 2bozM1 ARG 267 HD2 0.02 0.00 -0.01 -0.04 3.22 3.19 2bozM1 ARG 267 HD3 0.10 0.02 -0.01 -0.04 3.22 3.29 2bozM1 TRP 268 H 0.16 0.43 0.02 -0.55 7.97 8.03 2bozM1 TRP 268 HA 0.10 0.04 0.46 -0.75 4.62 4.47 2bozM1 TRP 268 HB2 -0.09 0.12 0.18 -0.04 3.23 3.39 2bozM1 TRP 268 HB3 -0.02 0.01 -0.01 -0.04 3.23 3.16 2bozM1 TRP 268 HD1 -0.04 -0.04 -0.11 -0.04 7.22 6.99 2bozM1 TRP 268 HE1 0.06 -0.01 -0.06 -0.04 10.20 10.15 2bozM1 TRP 268 HE3 0.07 -0.02 0.02 -0.04 7.59 7.62 2bozM1 TRP 268 HZ2 0.12 0.02 -0.04 -0.04 7.44 7.49 2bozM1 TRP 268 HZ3 0.06 0.02 -0.02 -0.04 7.13 7.15 2bozM1 TRP 268 HH2 0.03 0.03 -0.03 -0.04 7.19 7.18 2bozM1 ALA 269 H 0.08 0.47 -0.30 -0.55 8.40 8.10 2bozM1 ALA 269 HA 0.01 0.03 0.32 -0.75 4.34 3.94 2bozM1 ALA 269 HB3 -0.19 0.02 0.07 -0.04 1.41 1.27 2bozM1 ILE 270 H 0.01 0.58 -0.02 -0.55 8.25 8.27 2bozM1 ILE 270 HA -0.07 0.01 0.35 -0.75 4.18 3.71 2bozM1 ILE 270 HB -0.07 0.04 0.16 -0.04 1.89 1.98 2bozM1 ILE 270 HG12 -0.32 -0.02 -0.02 -0.04 1.49 1.09 2bozM1 ILE 270 HG13 -0.10 -0.02 0.09 -0.04 1.21 1.13 2bozM1 ILE 270 HG23 -0.23 0.02 0.11 -0.04 0.93 0.78 2bozM1 ILE 270 HD13 -0.06 0.00 0.01 -0.04 0.88 0.79 2bozM1 TRP 271 H 0.17 0.49 -0.33 -0.55 7.97 7.74 2bozM1 TRP 271 HA -0.03 -0.01 0.31 -0.75 4.62 4.14 2bozM1 TRP 271 HB2 -0.05 0.17 0.12 -0.04 3.23 3.43 2bozM1 TRP 271 HB3 -0.07 -0.02 -0.02 -0.04 3.23 3.08 2bozM1 TRP 271 HD1 -0.09 0.13 0.02 -0.04 7.22 7.24 2bozM1 TRP 271 HE1 -0.04 -0.03 -0.02 -0.04 10.20 10.07 2bozM1 TRP 271 HE3 -0.09 -0.03 0.00 -0.04 7.59 7.43 2bozM1 TRP 271 HZ2 -0.05 -0.01 -0.03 -0.04 7.44 7.31 2bozM1 TRP 271 HZ3 -0.07 0.01 -0.05 -0.04 7.13 6.98 2bozM1 TRP 271 HH2 -0.08 0.01 -0.04 -0.04 7.19 7.05 2bozM1 MET 272 H 0.22 0.62 -0.04 -0.55 8.47 8.73 2bozM1 MET 272 HA 0.20 -0.00 0.36 -0.75 4.52 4.32 2bozM1 MET 272 HB2 0.27 0.03 0.10 -0.04 2.15 2.51 2bozM1 MET 272 HB3 0.15 0.05 0.14 -0.04 2.03 2.32 2bozM1 MET 272 HG2 0.16 0.04 -0.34 -0.04 2.63 2.46 2bozM1 MET 272 HG3 0.22 0.07 -0.23 -0.04 2.56 2.57 2bozM1 MET 272 HE3 0.18 0.03 -0.02 -0.04 2.10 2.25 2bozM1 ALA 273 H 0.06 0.45 -0.27 -0.55 8.40 8.09 2bozM1 ALA 273 HA 0.10 0.08 0.38 -0.75 4.34 4.14 2bozM1 ALA 273 HB3 0.03 0.01 0.09 -0.04 1.41 1.50 2bozM1 VAL 274 H -0.03 0.61 0.08 -0.55 8.24 8.35 2bozM1 VAL 274 HA 0.02 -0.01 0.43 -0.75 4.13 3.81 2bozM1 VAL 274 HB -0.21 0.16 0.20 -0.04 2.12 2.23 2bozM1 VAL 274 HG13 -0.18 -0.02 -0.09 -0.04 0.97 0.64 2bozM1 VAL 274 HG23 -0.13 -0.00 0.12 -0.04 0.95 0.90 2bozM1 LEU 275 H -0.04 0.57 -0.34 -0.55 8.37 8.01 2bozM1 LEU 275 HA -0.04 -0.05 0.38 -0.75 4.35 3.89 2bozM1 LEU 275 HB2 -0.73 0.23 0.12 -0.04 1.64 1.22 2bozM1 LEU 275 HB3 -1.39 -0.07 0.04 -0.04 1.64 0.18 2bozM1 LEU 275 HG 0.16 0.04 0.06 -0.04 1.64 1.86 2bozM1 LEU 275 HD13 -0.28 -0.01 -0.08 -0.04 0.93 0.53 2bozM1 LEU 275 HD23 -0.02 -0.03 -0.00 -0.04 0.89 0.80 2bozM1 VAL 276 H 0.05 0.47 -0.37 -0.55 8.24 7.83 2bozM1 VAL 276 HA 0.23 0.05 0.48 -0.75 4.13 4.13 2bozM1 VAL 276 HB 0.12 0.11 0.19 -0.04 2.12 2.50 2bozM1 VAL 276 HG13 0.13 -0.01 -0.07 -0.04 0.97 0.98 2bozM1 VAL 276 HG23 0.18 0.01 -0.05 -0.04 0.95 1.05 2bozM1 THR 277 H 0.12 0.29 -0.06 -0.55 8.28 8.09 2bozM1 THR 277 HA 0.15 0.07 0.57 -0.75 4.39 4.43 2bozM1 THR 277 HB 0.18 0.04 0.19 -0.04 4.32 4.68 2bozM1 THR 277 HG23 0.11 -0.01 0.03 -0.04 1.22 1.31 2bozM1 LEU 278 H 0.15 0.34 -0.26 -0.55 8.37 8.06 2bozM1 LEU 278 HA 0.37 0.08 0.62 -0.75 4.35 4.67 2bozM1 LEU 278 HB2 0.09 0.18 0.09 -0.04 1.64 1.97 2bozM1 LEU 278 HB3 0.10 -0.02 0.12 -0.04 1.64 1.81 2bozM1 LEU 278 HG 0.00 -0.01 -0.07 -0.04 1.64 1.52 2bozM1 LEU 278 HD13 -0.21 -0.01 0.02 -0.04 0.93 0.69 2bozM1 LEU 278 HD23 0.11 -0.01 -0.06 -0.04 0.89 0.89 2bozM1 THR 279 H 0.19 0.61 0.05 -0.55 8.28 8.58 2bozM1 THR 279 HA 0.30 0.02 0.48 -0.75 4.39 4.44 2bozM1 THR 279 HB 0.46 -0.03 0.11 -0.04 4.32 4.81 2bozM1 THR 279 HG23 0.35 -0.00 0.05 -0.04 1.22 1.58 2bozM1 GLY 280 H 0.20 0.51 -0.14 -0.55 8.43 8.45 2bozM1 GLY 280 HA2 0.14 -0.01 0.31 -0.51 4.01 3.94 2bozM1 GLY 280 HA3 0.12 0.10 0.32 -0.51 4.01 4.04 2bozM1 GLY 281 H 0.19 0.54 -0.29 -0.55 8.43 8.33 2bozM1 GLY 281 HA2 -0.31 -0.01 0.35 -0.51 4.01 3.53 2bozM1 GLY 281 HA3 -0.55 0.10 0.27 -0.51 4.01 3.32 2bozM1 ILE 282 H 0.26 0.40 -0.33 -0.55 8.25 8.03 2bozM1 ILE 282 HA 0.13 0.03 0.42 -0.75 4.18 4.01 2bozM1 ILE 282 HB -0.46 0.09 0.17 -0.04 1.89 1.65 2bozM1 ILE 282 HG12 0.14 -0.04 0.01 -0.04 1.49 1.56 2bozM1 ILE 282 HG13 0.45 0.10 0.07 -0.04 1.21 1.79 2bozM1 ILE 282 HG23 -0.81 -0.02 -0.09 -0.04 0.93 -0.03 2bozM1 ILE 282 HD13 -0.02 -0.03 -0.05 -0.04 0.88 0.74 2bozM1 GLY 283 H -0.03 0.61 -0.04 -0.55 8.43 8.42 2bozM1 GLY 283 HA2 -0.02 -0.05 0.39 -0.51 4.01 3.82 2bozM1 GLY 283 HA3 0.01 -0.05 0.23 -0.51 4.01 3.70 2bozM1 ILE 284 H -0.04 0.54 -0.22 -0.55 8.25 7.98 2bozM1 ILE 284 HA 0.08 0.03 0.51 -0.75 4.18 4.05 2bozM1 ILE 284 HB -0.13 0.05 0.11 -0.04 1.89 1.88 2bozM1 ILE 284 HG12 -0.07 0.14 0.02 -0.04 1.49 1.54 2bozM1 ILE 284 HG13 -0.14 -0.04 -0.02 -0.04 1.21 0.96 2bozM1 ILE 284 HG23 -0.14 0.00 -0.11 -0.04 0.93 0.64 2bozM1 ILE 284 HD13 -0.37 -0.01 -0.04 -0.04 0.88 0.42 2bozM1 LEU 285 H -0.07 0.56 -0.02 -0.55 8.37 8.29 2bozM1 LEU 285 HA -0.02 0.05 0.36 -0.75 4.35 3.98 2bozM1 LEU 285 HB2 -0.21 0.02 0.15 -0.04 1.64 1.56 2bozM1 LEU 285 HB3 0.02 0.04 0.14 -0.04 1.64 1.80 2bozM1 LEU 285 HG 0.04 0.01 -0.17 -0.04 1.64 1.48 2bozM1 LEU 285 HD13 -0.04 -0.01 -0.00 -0.04 0.93 0.84 2bozM1 LEU 285 HD23 0.19 -0.02 -0.04 -0.04 0.89 0.98 2bozM1 LEU 286 H 0.08 0.43 -0.27 -0.55 8.37 8.07 2bozM1 LEU 286 HA 0.05 0.04 0.54 -0.75 4.35 4.23 2bozM1 LEU 286 HB2 0.36 0.10 0.06 -0.04 1.64 2.11 2bozM1 LEU 286 HB3 0.13 -0.11 0.05 -0.04 1.64 1.67 2bozM1 LEU 286 HG 0.02 0.13 0.03 -0.04 1.64 1.79 2bozM1 LEU 286 HD13 0.08 -0.03 -0.07 -0.04 0.93 0.87 2bozM1 LEU 286 HD23 0.05 -0.01 -0.02 -0.04 0.89 0.88 2bozM1 SER 287 H 0.19 0.37 -0.39 -0.55 8.46 8.08 2bozM1 SER 287 HA 0.05 0.05 0.55 -0.75 4.49 4.39 2bozM1 SER 287 HB2 0.16 0.18 0.24 -0.04 3.95 4.49 2bozM1 SER 287 HB3 -0.67 -0.02 0.04 -0.04 3.93 3.24 2bozM1 GLY 288 H -0.05 0.95 0.30 -0.55 8.43 9.08 2bozM1 GLY 288 HA2 0.02 -0.03 0.28 -0.51 4.01 3.77 2bozM1 GLY 288 HA3 0.12 0.15 0.51 -0.51 4.01 4.28 2bozM1 THR 289 H -0.00 0.16 -0.86 -0.55 8.28 7.03 2bozM1 THR 289 HA -0.02 0.16 0.63 -0.75 4.39 4.41 2bozM1 THR 289 HB -0.01 -0.07 -0.03 -0.04 4.32 4.17 2bozM1 THR 289 HG23 0.01 0.02 -0.09 -0.04 1.22 1.12 2bozM1 VAL 290 H -0.06 0.34 0.08 -0.55 8.24 8.05 2bozM1 VAL 290 HA -0.05 0.20 0.89 -0.75 4.13 4.41 2bozM1 VAL 290 HB -0.07 0.04 0.16 -0.04 2.12 2.21 2bozM1 VAL 290 HG13 -0.03 -0.02 -0.06 -0.04 0.97 0.82 2bozM1 VAL 290 HG23 0.00 -0.01 -0.10 -0.04 0.95 0.81 2bozM1 VAL 291 H -0.24 0.57 0.25 -0.55 8.24 8.27 2bozM1 VAL 291 HA -0.33 0.18 0.89 -0.75 4.13 4.11 2bozM1 VAL 291 HB -1.48 0.01 0.02 -0.04 2.12 0.63 2bozM1 VAL 291 HG13 -1.36 -0.02 -0.25 -0.04 0.97 -0.71 2bozM1 VAL 291 HG23 -1.01 0.02 -0.15 -0.04 0.95 -0.23 2bozM1 ASP 292 H -0.19 0.22 0.09 -0.55 8.40 7.97 2bozM1 ASP 292 HA -0.10 0.14 0.69 -0.75 4.63 4.60 2bozM1 ASP 292 HB2 -0.10 -0.03 0.09 -0.04 2.71 2.63 2bozM1 ASP 292 HB3 -0.11 0.03 0.02 -0.04 2.70 2.60 2bozM1 ASN 293 H -0.26 0.09 -0.16 -0.55 8.53 7.65 2bozM1 ASN 293 HA -0.00 0.27 0.57 -0.75 4.76 4.84 2bozM1 ASN 293 HB2 -0.04 0.15 -0.31 -0.04 2.88 2.63 2bozM1 ASN 293 HB3 -0.02 -0.05 0.08 -0.04 2.79 2.77 2bozM1 ASN 293 HD21 0.07 0.00 0.00 -0.04 7.03 7.07 2bozM1 ASN 293 HD22 0.01 0.07 -0.04 -0.04 7.74 7.74 2bozM1 TRP 294 H 0.25 0.80 0.13 -0.55 7.97 8.61 2bozM1 TRP 294 HA 0.19 0.02 0.36 -0.75 4.62 4.44 2bozM1 TRP 294 HB2 0.24 0.17 -0.10 -0.04 3.23 3.49 2bozM1 TRP 294 HB3 0.29 0.07 -0.43 -0.04 3.23 3.11 2bozM1 TRP 294 HD1 0.06 0.16 -0.06 -0.04 7.22 7.34 2bozM1 TRP 294 HE1 -0.09 0.07 -0.01 -0.04 10.20 10.13 2bozM1 TRP 294 HE3 -0.31 0.09 0.06 -0.04 7.59 7.39 2bozM1 TRP 294 HZ2 -0.14 0.10 -0.11 -0.04 7.44 7.25 2bozM1 TRP 294 HZ3 -1.96 0.03 -0.00 -0.04 7.13 5.16 2bozM1 TRP 294 HH2 -0.35 0.01 -0.03 -0.04 7.19 6.78 2bozM1 TYR 295 H 0.34 0.26 -0.06 -0.55 8.29 8.28 2bozM1 TYR 295 HA -0.62 0.07 0.50 -0.75 4.56 3.76 2bozM1 TYR 295 HB2 -0.29 0.21 0.22 -0.04 3.06 3.15 2bozM1 TYR 295 HB3 -0.08 -0.08 0.14 -0.04 2.98 2.92 2bozM1 TYR 295 HD2 -0.68 -0.01 -0.02 -0.04 7.15 6.40 2bozM1 TYR 295 HE2 -0.06 -0.00 -0.02 -0.04 6.85 6.72 2bozM1 VAL 296 H 0.09 0.12 -0.29 -0.55 8.24 7.61 2bozM1 VAL 296 HA -0.24 0.05 0.30 -0.75 4.13 3.49 2bozM1 VAL 296 HB 0.01 0.12 0.13 -0.04 2.12 2.34 2bozM1 VAL 296 HG13 -0.03 0.01 -0.08 -0.04 0.97 0.82 2bozM1 VAL 296 HG23 0.07 -0.01 0.01 -0.04 0.95 0.97 2bozM1 TRP 297 H 0.20 0.36 -0.14 -0.55 7.97 7.85 2bozM1 TRP 297 HA -0.10 0.12 0.41 -0.75 4.62 4.30 2bozM1 TRP 297 HB2 -0.28 -0.04 0.07 -0.04 3.23 2.95 2bozM1 TRP 297 HB3 -0.02 0.05 0.17 -0.04 3.23 3.40 2bozM1 TRP 297 HD1 -0.16 0.07 -0.01 -0.04 7.22 7.08 2bozM1 TRP 297 HE1 -0.04 0.04 -0.09 -0.04 10.20 10.07 2bozM1 TRP 297 HE3 0.35 0.13 -0.05 -0.04 7.59 7.98 2bozM1 TRP 297 HZ2 -0.08 0.01 -0.11 -0.04 7.44 7.23 2bozM1 TRP 297 HZ3 0.13 0.01 0.03 -0.04 7.13 7.26 2bozM1 TRP 297 HH2 -0.22 -0.04 -0.04 -0.04 7.19 6.85 2bozM1 GLY 298 H 0.42 0.75 -0.01 -0.55 8.43 9.04 2bozM1 GLY 298 HA2 -0.09 -0.02 0.46 -0.51 4.01 3.85 2bozM1 GLY 298 HA3 0.20 0.06 0.36 -0.51 4.01 4.13 2bozM1 GLN 299 H -0.24 0.38 -0.35 -0.55 8.47 7.71 2bozM1 GLN 299 HA -0.17 0.00 0.47 -0.75 4.36 3.90 2bozM1 GLN 299 HB2 -0.26 0.18 0.17 -0.04 2.15 2.20 2bozM1 GLN 299 HB3 -0.18 -0.07 0.05 -0.04 2.02 1.78 2bozM1 GLN 299 HG2 -0.80 0.23 0.08 -0.04 2.40 1.86 2bozM1 GLN 299 HG3 -0.53 -0.09 0.01 -0.04 2.39 1.75 2bozM1 GLN 299 HE21 -0.06 -0.05 0.03 -0.04 6.97 6.85 2bozM1 GLN 299 HE22 -0.12 0.01 0.04 -0.04 7.69 7.59 2bozM1 ASN 300 H -0.24 0.39 -0.19 -0.55 8.53 7.94 2bozM1 ASN 300 HA -0.14 0.06 0.65 -0.75 4.76 4.58 2bozM1 ASN 300 HB2 -0.28 -0.03 0.14 -0.04 2.88 2.67 2bozM1 ASN 300 HB3 -0.16 0.07 0.12 -0.04 2.79 2.77 2bozM1 ASN 300 HD21 -0.07 -0.10 0.00 -0.04 7.03 6.82 2bozM1 ASN 300 HD22 -0.08 0.03 0.03 -0.04 7.74 7.68 2bozM1 HIS 301 H -0.25 0.36 -0.61 -0.55 8.41 7.36 2bozM1 HIS 301 HA -1.08 -0.05 0.23 -0.75 4.63 2.98 2bozM1 HIS 301 HB2 -0.29 0.03 0.16 -0.04 3.26 3.13 2bozM1 HIS 301 HB3 -0.27 0.03 0.23 -0.04 3.20 3.14 2bozM1 HIS 301 HD2 -0.10 -0.00 0.06 -0.04 6.97 6.88 2bozM1 HIS 301 HE1 0.13 -0.05 0.02 -0.04 7.75 7.80 2bozM1 GLY 302 H -0.96 0.31 -0.19 -0.55 8.43 7.05 2bozM1 GLY 302 HA2 -0.55 -0.15 0.09 -0.51 4.01 2.89 2bozM1 GLY 302 HA3 -0.26 0.07 0.60 -0.51 4.01 3.91