============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. PHE 8 1.000 33.114 66.469 67.894 -99.200 -91.000 PHE 28 1.000 15.615 72.096 65.958 -99.200 -91.000 TYR 41 0.840 15.522 51.431 57.711 -99.200 -91.000 TYR 43 0.840 19.715 58.920 65.743 -99.200 -91.000 PHE 49 1.000 22.784 67.361 67.561 -99.200 -91.000 TRP 50 1.040 29.295 62.870 63.844 -99.200 -91.000 TRP6 50 1.020 28.917 61.320 65.585 -99.200 -91.000 TYR 51 0.840 31.789 70.312 60.815 -99.200 -91.000 PHE 52 1.000 28.602 73.150 63.859 -99.200 -91.000 PHE 55 1.000 23.948 63.599 72.698 -99.200 -91.000 HIS 71 0.900 31.078 89.395 76.635 -99.200 -91.000 HIS 73 0.900 24.651 82.144 76.483 -99.200 -91.000 PHE 77 1.000 16.325 73.418 74.905 -99.200 -91.000 TRP 88 1.040 11.517 48.049 78.818 -99.200 -91.000 TRP6 88 1.020 10.482 46.348 77.548 -99.200 -91.000 PHE 89 1.000 12.677 50.700 74.038 -99.200 -91.000 PHE 110 1.000 13.244 67.254 71.867 -99.200 -91.000 TYR 118 0.840 8.603 81.426 75.933 -99.200 -91.000 TYR 128 0.840 22.915 83.250 62.012 -99.200 -91.000 HIS 129 0.900 14.829 76.248 61.773 -99.200 -91.000 TYR 134 0.840 16.132 66.552 60.357 -99.200 -91.000 TYR 136 0.840 12.889 67.202 65.294 -99.200 -91.000 TRP 165 1.040 21.878 76.399 60.939 -99.200 -91.000 TRP6 165 1.020 22.431 74.211 60.231 -99.200 -91.000 HIS 170 0.900 25.393 72.011 54.199 -99.200 -91.000 PHE 175 1.000 37.982 74.966 51.784 -99.200 -91.000 HIS 195 0.900 35.895 48.208 47.241 -99.200 -91.000 PHE 207 1.000 23.278 33.144 43.955 -99.200 -91.000 TYR 209 0.840 23.099 36.444 48.227 -99.200 -91.000 HIS 210 0.900 27.062 33.875 48.623 -99.200 -91.000 HIS 216 0.900 27.543 45.363 53.924 -99.200 -91.000 HIS 217 0.900 33.683 39.235 59.245 -99.200 -91.000 PHE 219 1.000 32.855 48.563 54.311 -99.200 -91.000 HIS 222 0.900 39.948 46.429 59.536 -99.200 -91.000 TYR 226 0.840 25.381 50.765 61.828 -99.200 -91.000 TYR 229 0.840 28.863 53.967 49.003 -99.200 -91.000 HIS 243 0.900 23.984 55.563 42.328 -99.200 -91.000 TYR 244 0.840 22.518 44.850 40.579 -99.200 -91.000 TYR 265 0.840 37.520 54.730 61.818 -99.200 -91.000 TYR 268 0.840 34.600 62.896 59.245 -99.200 -91.000 PHE 276 1.000 36.578 41.890 41.736 -99.200 -91.000 PHE 282 1.000 40.694 42.998 34.282 -99.200 -91.000 TYR 290 0.840 40.568 47.825 34.936 -99.200 -91.000 TYR 304 0.840 40.593 65.940 40.232 -99.200 -91.000 HIS 344 0.900 31.623 62.556 27.123 -99.200 -91.000 PHE 347 1.000 29.042 54.351 24.337 -99.200 -91.000 PHE 348 1.000 32.476 59.712 32.889 -99.200 -91.000 HIS 350 0.900 29.682 58.135 36.715 -99.200 -91.000 HIS 354 0.900 31.015 61.523 45.377 -99.200 -91.000 TRP 355 1.040 32.156 69.402 46.899 -99.200 -91.000 TRP6 355 1.020 34.264 70.001 46.013 -99.200 -91.000 HIS 361 0.900 26.848 60.694 45.999 -99.200 -91.000 TYR 366 0.840 29.904 69.210 43.839 -99.200 -91.000 TYR 387 0.840 29.390 53.181 33.981 -99.200 -91.000 TYR 398 0.840 34.859 46.442 22.410 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bn7A1 SER 1 HA 0.07 -0.09 0.16 -0.75 4.49 3.87 2bn7A1 SER 1 HB2 0.14 0.01 -0.20 -0.04 3.95 3.86 2bn7A1 SER 1 HB3 0.04 -0.05 -0.07 -0.04 3.93 3.82 2bn7A1 GLU 2 H 0.02 0.16 0.12 -0.55 8.60 8.36 2bn7A1 GLU 2 HA 0.02 0.14 0.48 -0.75 4.29 4.19 2bn7A1 GLU 2 HB2 0.05 -0.00 0.10 -0.04 2.09 2.19 2bn7A1 GLU 2 HB3 0.03 0.18 -0.08 -0.04 1.99 2.07 2bn7A1 GLU 2 HG2 0.03 -0.00 -0.19 -0.04 2.34 2.14 2bn7A1 GLU 2 HG3 0.01 -0.10 -0.26 -0.04 2.34 1.96 2bn7A1 ILE 3 H 0.04 0.23 0.13 -0.55 8.25 8.10 2bn7A1 ILE 3 HA -0.15 0.02 0.82 -0.75 4.18 4.12 2bn7A1 ILE 3 HB -0.21 0.06 0.10 -0.04 1.89 1.80 2bn7A1 ILE 3 HG12 0.13 0.04 -0.01 -0.04 1.49 1.61 2bn7A1 ILE 3 HG13 0.08 0.07 -0.02 -0.04 1.21 1.29 2bn7A1 ILE 3 HG23 -0.95 0.03 -0.10 -0.04 0.93 -0.12 2bn7A1 ILE 3 HD13 -0.11 0.00 -0.25 -0.04 0.88 0.48 2bn7A1 SER 4 H -0.16 0.06 0.15 -0.55 8.46 7.96 2bn7A1 SER 4 HA -0.02 0.19 0.49 -0.75 4.49 4.41 2bn7A1 SER 4 HB2 -0.03 -0.03 0.15 -0.04 3.95 3.99 2bn7A1 SER 4 HB3 -0.05 0.13 0.11 -0.04 3.93 4.08 2bn7A1 ARG 5 H 0.03 0.20 0.18 -0.55 8.46 8.31 2bn7A1 ARG 5 HA 0.20 0.21 0.49 -0.75 4.34 4.48 2bn7A1 ARG 5 HB2 0.01 -0.11 0.15 -0.04 1.90 1.91 2bn7A1 ARG 5 HB3 0.02 0.08 -0.02 -0.04 1.80 1.84 2bn7A1 ARG 5 HG2 0.03 0.16 0.09 -0.04 1.67 1.90 2bn7A1 ARG 5 HG3 0.03 -0.06 0.13 -0.04 1.67 1.73 2bn7A1 ARG 5 HD2 0.00 -0.08 0.05 -0.04 3.22 3.15 2bn7A1 ARG 5 HD3 -0.01 0.03 0.03 -0.04 3.22 3.22 2bn7A1 GLN 6 H -0.02 0.06 -0.13 -0.55 8.47 7.83 2bn7A1 GLN 6 HA -0.02 0.14 0.36 -0.75 4.36 4.08 2bn7A1 GLN 6 HB2 -0.05 -0.03 0.02 -0.04 2.15 2.05 2bn7A1 GLN 6 HB3 -0.03 0.06 0.04 -0.04 2.02 2.05 2bn7A1 GLN 6 HG2 -0.02 0.06 0.03 -0.04 2.40 2.43 2bn7A1 GLN 6 HG3 -0.02 0.04 0.03 -0.04 2.39 2.40 2bn7A1 GLN 6 HE21 -0.02 0.02 0.04 -0.04 6.97 6.97 2bn7A1 GLN 6 HE22 -0.03 0.04 0.02 -0.04 7.69 7.69 2bn7A1 GLU 7 H -0.13 0.05 -0.31 -0.55 8.60 7.67 2bn7A1 GLU 7 HA -0.13 0.04 0.46 -0.75 4.29 3.91 2bn7A1 GLU 7 HB2 -0.18 -0.09 0.12 -0.04 2.09 1.90 2bn7A1 GLU 7 HB3 -0.39 0.16 0.11 -0.04 1.99 1.83 2bn7A1 GLU 7 HG2 -0.44 0.10 -0.11 -0.04 2.34 1.84 2bn7A1 GLU 7 HG3 -0.26 0.01 -0.00 -0.04 2.34 2.05 2bn7A1 PHE 8 H -0.22 0.41 -0.18 -0.55 8.34 7.80 2bn7A1 PHE 8 HA -0.21 0.08 0.43 -0.75 4.62 4.17 2bn7A1 PHE 8 HB2 -0.13 0.11 0.09 -0.04 3.15 3.17 2bn7A1 PHE 8 HB3 -0.15 0.17 -0.11 -0.04 3.06 2.92 2bn7A1 PHE 8 HD2 -0.22 0.06 -0.22 -0.04 7.28 6.85 2bn7A1 PHE 8 HE2 -0.32 0.06 -0.11 -0.04 7.38 6.97 2bn7A1 PHE 8 HZ -0.42 -0.05 -0.04 -0.04 7.32 6.77 2bn7A1 GLN 9 H 0.04 0.40 -0.20 -0.55 8.47 8.16 2bn7A1 GLN 9 HA -0.00 0.07 0.52 -0.75 4.36 4.19 2bn7A1 GLN 9 HB2 -0.00 0.10 0.14 -0.04 2.15 2.35 2bn7A1 GLN 9 HB3 -0.02 0.05 0.12 -0.04 2.02 2.12 2bn7A1 GLN 9 HG2 -0.03 -0.05 0.02 -0.04 2.40 2.31 2bn7A1 GLN 9 HG3 -0.03 -0.06 -0.01 -0.04 2.39 2.25 2bn7A1 GLN 9 HE21 -0.05 0.10 0.09 -0.04 6.97 7.06 2bn7A1 GLN 9 HE22 -0.04 -0.10 0.04 -0.04 7.69 7.56 2bn7A1 ARG 10 H -0.05 0.58 -0.02 -0.55 8.46 8.43 2bn7A1 ARG 10 HA -0.03 -0.00 0.44 -0.75 4.34 4.00 2bn7A1 ARG 10 HB2 -0.08 0.11 0.22 -0.04 1.90 2.11 2bn7A1 ARG 10 HB3 -0.04 -0.04 -0.01 -0.04 1.80 1.67 2bn7A1 ARG 10 HG2 -0.04 -0.03 0.05 -0.04 1.67 1.61 2bn7A1 ARG 10 HG3 -0.05 0.15 0.04 -0.04 1.67 1.77 2bn7A1 ARG 10 HD2 -0.04 0.01 0.01 -0.04 3.22 3.16 2bn7A1 ARG 10 HD3 -0.04 -0.02 -0.01 -0.04 3.22 3.10 2bn7A1 ARG 11 H -0.07 0.58 -0.15 -0.55 8.46 8.26 2bn7A1 ARG 11 HA 0.01 -0.00 0.44 -0.75 4.34 4.04 2bn7A1 ARG 11 HB2 -0.12 0.21 0.18 -0.04 1.90 2.12 2bn7A1 ARG 11 HB3 -0.29 -0.08 -0.03 -0.04 1.80 1.35 2bn7A1 ARG 11 HG2 -0.36 -0.07 0.02 -0.04 1.67 1.22 2bn7A1 ARG 11 HG3 -0.27 0.11 0.08 -0.04 1.67 1.55 2bn7A1 ARG 11 HD2 -0.57 0.13 0.04 -0.04 3.22 2.78 2bn7A1 ARG 11 HD3 -1.89 -0.04 -0.01 -0.04 3.22 1.23 2bn7A1 ARG 12 H 0.09 0.58 -0.08 -0.55 8.46 8.50 2bn7A1 ARG 12 HA -0.09 -0.04 0.46 -0.75 4.34 3.91 2bn7A1 ARG 12 HB2 -0.03 0.17 0.20 -0.04 1.90 2.21 2bn7A1 ARG 12 HB3 -0.11 -0.10 0.00 -0.04 1.80 1.55 2bn7A1 ARG 12 HG2 -0.10 -0.15 0.08 -0.04 1.67 1.45 2bn7A1 ARG 12 HG3 0.09 0.32 0.18 -0.04 1.67 2.22 2bn7A1 ARG 12 HD2 -0.06 0.01 0.03 -0.04 3.22 3.16 2bn7A1 ARG 12 HD3 -0.13 -0.16 -0.00 -0.04 3.22 2.89 2bn7A1 GLN 13 H -0.01 0.58 -0.15 -0.55 8.47 8.34 2bn7A1 GLN 13 HA -0.05 -0.01 0.45 -0.75 4.36 4.01 2bn7A1 GLN 13 HB2 -0.02 0.11 0.14 -0.04 2.15 2.34 2bn7A1 GLN 13 HB3 -0.03 -0.05 0.01 -0.04 2.02 1.91 2bn7A1 GLN 13 HG2 -0.03 0.17 0.05 -0.04 2.40 2.55 2bn7A1 GLN 13 HG3 -0.03 -0.05 -0.01 -0.04 2.39 2.26 2bn7A1 GLN 13 HE21 -0.05 -0.02 -0.10 -0.04 6.97 6.75 2bn7A1 GLN 13 HE22 -0.05 0.03 -0.08 -0.04 7.69 7.56 2bn7A1 ALA 14 H 0.02 0.54 -0.19 -0.55 8.40 8.22 2bn7A1 ALA 14 HA 0.00 0.02 0.52 -0.75 4.34 4.13 2bn7A1 ALA 14 HB3 0.04 0.02 0.10 -0.04 1.41 1.53 2bn7A1 LEU 15 H 0.04 0.50 -0.19 -0.55 8.37 8.18 2bn7A1 LEU 15 HA -0.01 0.02 0.55 -0.75 4.35 4.16 2bn7A1 LEU 15 HB2 0.02 -0.00 0.07 -0.04 1.64 1.69 2bn7A1 LEU 15 HB3 -0.23 0.19 0.16 -0.04 1.64 1.72 2bn7A1 LEU 15 HG -0.31 0.01 -0.24 -0.04 1.64 1.07 2bn7A1 LEU 15 HD13 -0.11 -0.03 -0.03 -0.04 0.93 0.72 2bn7A1 LEU 15 HD23 -0.70 -0.03 -0.06 -0.04 0.89 0.06 2bn7A1 VAL 16 H -0.09 0.50 -0.09 -0.55 8.24 8.01 2bn7A1 VAL 16 HA -0.13 -0.03 0.27 -0.75 4.13 3.49 2bn7A1 VAL 16 HB -0.07 0.07 0.10 -0.04 2.12 2.19 2bn7A1 VAL 16 HG13 -0.05 -0.01 -0.19 -0.04 0.97 0.69 2bn7A1 VAL 16 HG23 -0.13 0.04 -0.06 -0.04 0.95 0.76 2bn7A1 GLU 17 H -0.04 0.59 -0.19 -0.55 8.60 8.42 2bn7A1 GLU 17 HA -0.02 0.01 0.41 -0.75 4.29 3.94 2bn7A1 GLU 17 HB2 -0.02 0.01 0.12 -0.04 2.09 2.17 2bn7A1 GLU 17 HB3 -0.02 0.15 0.10 -0.04 1.99 2.18 2bn7A1 GLU 17 HG2 -0.01 -0.06 -0.02 -0.04 2.34 2.21 2bn7A1 GLU 17 HG3 -0.01 0.01 -0.29 -0.04 2.34 2.02 2bn7A1 GLN 18 H -0.04 0.29 -0.46 -0.55 8.47 7.71 2bn7A1 GLN 18 HA -0.00 0.05 0.47 -0.75 4.36 4.13 2bn7A1 GLN 18 HB2 -0.04 0.09 0.06 -0.04 2.15 2.22 2bn7A1 GLN 18 HB3 -0.00 -0.13 0.07 -0.04 2.02 1.92 2bn7A1 GLN 18 HG2 0.00 -0.05 -0.04 -0.04 2.40 2.28 2bn7A1 GLN 18 HG3 -0.00 0.24 0.06 -0.04 2.39 2.64 2bn7A1 GLN 18 HE21 0.05 -0.05 -0.05 -0.04 6.97 6.88 2bn7A1 GLN 18 HE22 0.03 0.26 -0.04 -0.04 7.69 7.90 2bn7A1 MET 19 H -0.08 0.35 -0.40 -0.55 8.47 7.80 2bn7A1 MET 19 HA -0.09 -0.07 0.43 -0.75 4.52 4.04 2bn7A1 MET 19 HB2 -0.09 0.17 0.03 -0.04 2.15 2.22 2bn7A1 MET 19 HB3 -0.00 0.01 -0.07 -0.04 2.03 1.93 2bn7A1 MET 19 HG2 -1.08 -0.13 -0.10 -0.04 2.63 1.28 2bn7A1 MET 19 HG3 -0.37 0.21 -0.11 -0.04 2.56 2.25 2bn7A1 MET 19 HE3 0.01 0.01 -0.18 -0.04 2.10 1.90 2bn7A1 GLN 20 H 0.33 -0.03 0.07 -0.55 8.47 8.29 2bn7A1 GLN 20 HA 0.08 0.12 0.52 -0.75 4.36 4.33 2bn7A1 GLN 20 HB2 0.14 -0.10 -0.01 -0.04 2.15 2.15 2bn7A1 GLN 20 HB3 0.07 0.13 0.02 -0.04 2.02 2.20 2bn7A1 GLN 20 HG2 0.08 0.04 0.01 -0.04 2.40 2.49 2bn7A1 GLN 20 HG3 0.17 -0.04 0.02 -0.04 2.39 2.49 2bn7A1 GLN 20 HE21 0.02 -0.03 -0.04 -0.04 6.97 6.88 2bn7A1 GLN 20 HE22 0.08 -0.01 -0.03 -0.04 7.69 7.68 2bn7A1 PRO 21 HA 0.04 0.08 0.35 -0.51 4.44 4.40 2bn7A1 PRO 21 HB2 0.02 0.11 0.04 -0.04 2.28 2.41 2bn7A1 PRO 21 HB3 0.03 -0.15 0.09 -0.04 2.02 1.95 2bn7A1 PRO 21 HG2 0.03 0.01 0.08 -0.04 2.03 2.11 2bn7A1 PRO 21 HG3 0.03 -0.02 0.09 -0.04 2.03 2.08 2bn7A1 PRO 21 HD2 0.05 0.03 0.21 -0.04 3.68 3.92 2bn7A1 PRO 21 HD3 0.04 0.18 0.12 -0.04 3.65 3.95 2bn7A1 GLY 22 H 0.03 0.37 0.28 -0.55 8.43 8.57 2bn7A1 GLY 22 HA2 0.03 0.03 0.48 -0.51 4.01 4.03 2bn7A1 GLY 22 HA3 0.03 -0.02 0.60 -0.51 4.01 4.10 2bn7A1 SER 23 H 0.05 0.49 0.27 -0.55 8.46 8.72 2bn7A1 SER 23 HA 0.06 0.27 0.97 -0.75 4.49 5.04 2bn7A1 SER 23 HB2 0.25 -0.11 -0.01 -0.04 3.95 4.04 2bn7A1 SER 23 HB3 0.14 0.01 -0.32 -0.04 3.93 3.72 2bn7A1 ALA 24 H 0.13 0.43 0.36 -0.55 8.40 8.77 2bn7A1 ALA 24 HA 0.03 0.34 1.01 -0.75 4.34 4.97 2bn7A1 ALA 24 HB3 0.04 0.00 -0.02 -0.04 1.41 1.39 2bn7A1 ALA 25 H -0.00 0.70 0.37 -0.55 8.40 8.92 2bn7A1 ALA 25 HA 0.27 0.14 1.10 -0.75 4.34 5.10 2bn7A1 ALA 25 HB3 -0.21 -0.01 0.07 -0.04 1.41 1.22 2bn7A1 LEU 26 H 0.35 0.66 0.34 -0.55 8.37 9.18 2bn7A1 LEU 26 HA 0.04 0.28 0.99 -0.75 4.35 4.91 2bn7A1 LEU 26 HB2 0.50 -0.09 0.21 -0.04 1.64 2.21 2bn7A1 LEU 26 HB3 0.14 -0.05 -0.01 -0.04 1.64 1.68 2bn7A1 LEU 26 HG 0.20 0.10 -0.12 -0.04 1.64 1.77 2bn7A1 LEU 26 HD13 0.11 -0.02 -0.08 -0.04 0.93 0.90 2bn7A1 LEU 26 HD23 0.06 0.04 -0.25 -0.04 0.89 0.69 2bn7A1 ILE 27 H -0.00 0.77 0.30 -0.55 8.25 8.77 2bn7A1 ILE 27 HA 0.52 0.06 0.99 -0.75 4.18 4.99 2bn7A1 ILE 27 HB -0.03 0.03 0.13 -0.04 1.89 1.98 2bn7A1 ILE 27 HG12 -1.29 -0.05 -0.15 -0.04 1.49 -0.04 2bn7A1 ILE 27 HG13 -0.53 -0.08 -0.61 -0.04 1.21 -0.05 2bn7A1 ILE 27 HG23 0.29 0.01 -0.21 -0.04 0.93 0.98 2bn7A1 ILE 27 HD13 -0.74 0.04 -0.12 -0.04 0.88 0.02 2bn7A1 PHE 28 H 0.79 0.11 0.17 -0.55 8.34 8.86 2bn7A1 PHE 28 HA 0.30 0.20 0.83 -0.75 4.62 5.20 2bn7A1 PHE 28 HB2 0.36 -0.08 0.11 -0.04 3.15 3.51 2bn7A1 PHE 28 HB3 0.20 0.13 0.03 -0.04 3.06 3.38 2bn7A1 PHE 28 HD2 0.25 0.02 -0.07 -0.04 7.28 7.44 2bn7A1 PHE 28 HE2 0.10 0.03 -0.09 -0.04 7.38 7.38 2bn7A1 PHE 28 HZ -0.04 0.04 -0.08 -0.04 7.32 7.20 2bn7A1 ALA 29 H -0.02 0.56 0.36 -0.55 8.40 8.75 2bn7A1 ALA 29 HA -0.37 0.00 0.67 -0.75 4.34 3.89 2bn7A1 ALA 29 HB3 -0.57 -0.03 0.17 -0.04 1.41 0.95 2bn7A1 ALA 30 H 0.03 -0.06 0.24 -0.55 8.40 8.07 2bn7A1 ALA 30 HA -0.47 0.08 0.59 -0.75 4.34 3.78 2bn7A1 ALA 30 HB3 -0.07 0.03 0.14 -0.04 1.41 1.47 2bn7A1 PRO 31 HA -0.26 -0.00 0.75 -0.51 4.44 4.42 2bn7A1 PRO 31 HB2 -0.14 0.22 0.05 -0.04 2.28 2.37 2bn7A1 PRO 31 HB3 -0.36 -0.08 0.15 -0.04 2.02 1.69 2bn7A1 PRO 31 HG2 -0.07 0.11 0.05 -0.04 2.03 2.08 2bn7A1 PRO 31 HG3 -0.08 -0.08 0.11 -0.04 2.03 1.94 2bn7A1 PRO 31 HD2 -0.44 0.11 0.25 -0.04 3.68 3.56 2bn7A1 PRO 31 HD3 -0.94 0.08 0.21 -0.04 3.65 2.97 2bn7A1 GLU 32 H -0.13 0.03 0.14 -0.55 8.60 8.10 2bn7A1 GLU 32 HA 0.15 0.14 0.60 -0.75 4.29 4.42 2bn7A1 GLU 32 HB2 -0.11 -0.07 0.09 -0.04 2.09 1.96 2bn7A1 GLU 32 HB3 -0.05 0.06 -0.07 -0.04 1.99 1.88 2bn7A1 GLU 32 HG2 -0.07 0.09 0.03 -0.04 2.34 2.34 2bn7A1 GLU 32 HG3 -0.22 -0.05 0.02 -0.04 2.34 2.05 2bn7A1 VAL 33 H 0.06 0.25 0.11 -0.55 8.24 8.11 2bn7A1 VAL 33 HA 0.03 0.11 0.83 -0.75 4.13 4.35 2bn7A1 VAL 33 HB 0.06 0.02 0.07 -0.04 2.12 2.23 2bn7A1 VAL 33 HG13 0.12 0.01 -0.14 -0.04 0.97 0.92 2bn7A1 VAL 33 HG23 -0.01 0.05 -0.19 -0.04 0.95 0.76 2bn7A1 THR 34 H 0.03 0.13 0.13 -0.55 8.28 8.02 2bn7A1 THR 34 HA -0.03 0.11 0.50 -0.75 4.39 4.21 2bn7A1 THR 34 HB 0.01 -0.03 0.07 -0.04 4.32 4.33 2bn7A1 THR 34 HG23 -0.04 0.04 -0.29 -0.04 1.22 0.89 2bn7A1 ARG 35 H -0.18 0.53 0.31 -0.55 8.46 8.57 2bn7A1 ARG 35 HA -0.52 0.18 0.85 -0.75 4.34 4.09 2bn7A1 ARG 35 HB2 -1.16 -0.02 -0.18 -0.04 1.90 0.50 2bn7A1 ARG 35 HB3 -0.39 -0.01 -0.20 -0.04 1.80 1.16 2bn7A1 ARG 35 HG2 -0.32 -0.02 -0.27 -0.04 1.67 1.02 2bn7A1 ARG 35 HG3 -0.74 0.00 -0.00 -0.04 1.67 0.89 2bn7A1 ARG 35 HD2 -0.74 0.01 -0.07 -0.04 3.22 2.38 2bn7A1 ARG 35 HD3 -0.29 0.01 -0.12 -0.04 3.22 2.77 2bn7A1 SER 36 H -0.14 0.39 0.07 -0.55 8.46 8.24 2bn7A1 SER 36 HA -0.06 0.06 0.40 -0.75 4.49 4.14 2bn7A1 SER 36 HB2 -0.08 0.19 -0.07 -0.04 3.95 3.95 2bn7A1 SER 36 HB3 -0.08 -0.05 -0.03 -0.04 3.93 3.73 2bn7A1 ALA 37 H -0.03 0.16 0.09 -0.55 8.40 8.06 2bn7A1 ALA 37 HA -0.03 0.07 0.35 -0.75 4.34 3.97 2bn7A1 ALA 37 HB3 -0.02 0.05 0.07 -0.04 1.41 1.46 2bn7A1 ASP 38 H -0.03 0.11 0.22 -0.55 8.40 8.15 2bn7A1 ASP 38 HA -0.05 0.00 0.55 -0.75 4.63 4.38 2bn7A1 ASP 38 HB2 -0.03 0.00 0.14 -0.04 2.71 2.78 2bn7A1 ASP 38 HB3 -0.03 0.00 0.09 -0.04 2.70 2.72 2bn7A1 SER 39 H -0.05 0.52 -0.06 -0.55 8.46 8.32 2bn7A1 SER 39 HA -0.04 0.16 0.82 -0.75 4.49 4.68 2bn7A1 SER 39 HB2 -0.05 0.07 0.10 -0.04 3.95 4.02 2bn7A1 SER 39 HB3 -0.04 -0.05 0.08 -0.04 3.93 3.89 2bn7A1 GLU 40 H -0.06 0.25 0.19 -0.55 8.60 8.43 2bn7A1 GLU 40 HA -0.09 -0.04 0.99 -0.75 4.29 4.40 2bn7A1 GLU 40 HB2 -0.04 0.02 0.01 -0.04 2.09 2.05 2bn7A1 GLU 40 HB3 -0.01 0.09 0.02 -0.04 1.99 2.05 2bn7A1 GLU 40 HG2 -0.07 0.01 -0.51 -0.04 2.34 1.73 2bn7A1 GLU 40 HG3 -0.09 0.06 -0.21 -0.04 2.34 2.06 2bn7A1 TYR 41 H 0.06 0.46 0.15 -0.55 8.29 8.41 2bn7A1 TYR 41 HA -0.04 0.07 0.56 -0.75 4.56 4.40 2bn7A1 TYR 41 HB2 -0.06 -0.03 0.02 -0.04 3.06 2.95 2bn7A1 TYR 41 HB3 -0.10 0.14 -0.02 -0.04 2.98 2.96 2bn7A1 TYR 41 HD2 -0.05 0.03 -0.17 -0.04 7.15 6.92 2bn7A1 TYR 41 HE2 -0.03 0.05 0.03 -0.04 6.85 6.87 2bn7A1 PRO 42 HA 0.02 0.00 0.46 -0.51 4.44 4.41 2bn7A1 PRO 42 HB2 -0.61 0.05 -0.03 -0.04 2.28 1.66 2bn7A1 PRO 42 HB3 -0.09 0.03 0.08 -0.04 2.02 2.00 2bn7A1 PRO 42 HG2 -0.17 0.05 0.06 -0.04 2.03 1.93 2bn7A1 PRO 42 HG3 0.05 0.04 0.09 -0.04 2.03 2.17 2bn7A1 PRO 42 HD2 0.08 0.07 0.17 -0.04 3.68 3.96 2bn7A1 PRO 42 HD3 0.08 0.11 0.21 -0.04 3.65 4.01 2bn7A1 TYR 43 H 0.10 0.07 0.17 -0.55 8.29 8.08 2bn7A1 TYR 43 HA -0.08 0.01 0.28 -0.75 4.56 4.01 2bn7A1 TYR 43 HB2 -0.07 -0.01 0.12 -0.04 3.06 3.06 2bn7A1 TYR 43 HB3 -0.06 0.03 0.09 -0.04 2.98 3.00 2bn7A1 TYR 43 HD2 -0.08 0.02 -0.14 -0.04 7.15 6.92 2bn7A1 TYR 43 HE2 -0.11 -0.01 -0.54 -0.04 6.85 6.15 2bn7A1 ARG 44 H -0.64 0.18 0.10 -0.55 8.46 7.54 2bn7A1 ARG 44 HA -0.39 0.12 0.74 -0.75 4.34 4.06 2bn7A1 ARG 44 HB2 -0.31 0.10 -0.04 -0.04 1.90 1.62 2bn7A1 ARG 44 HB3 -0.30 -0.06 0.11 -0.04 1.80 1.51 2bn7A1 ARG 44 HG2 -0.21 -0.00 -0.04 -0.04 1.67 1.38 2bn7A1 ARG 44 HG3 -0.22 -0.03 -0.22 -0.04 1.67 1.15 2bn7A1 ARG 44 HD2 -0.32 0.04 -0.04 -0.04 3.22 2.86 2bn7A1 ARG 44 HD3 -0.29 0.01 0.03 -0.04 3.22 2.93 2bn7A1 GLN 45 H -0.36 0.18 -0.02 -0.55 8.47 7.72 2bn7A1 GLN 45 HA -0.25 -0.03 0.39 -0.75 4.36 3.72 2bn7A1 GLN 45 HB2 0.19 0.04 -0.01 -0.04 2.15 2.33 2bn7A1 GLN 45 HB3 0.03 0.02 -0.04 -0.04 2.02 1.99 2bn7A1 GLN 45 HG2 0.77 0.19 -0.04 -0.04 2.40 3.28 2bn7A1 GLN 45 HG3 0.53 0.08 -0.09 -0.04 2.39 2.87 2bn7A1 GLN 45 HE21 -0.02 0.25 0.01 -0.04 6.97 7.16 2bn7A1 GLN 45 HE22 0.32 0.31 0.14 -0.04 7.69 8.42 2bn7A1 ASN 46 H 0.11 -0.11 0.25 -0.55 8.53 8.22 2bn7A1 ASN 46 HA 0.16 0.14 0.58 -0.75 4.76 4.88 2bn7A1 ASN 46 HB2 0.38 0.08 0.16 -0.04 2.88 3.46 2bn7A1 ASN 46 HB3 0.38 -0.03 0.22 -0.04 2.79 3.32 2bn7A1 ASN 46 HD21 0.26 -0.01 0.04 -0.04 7.03 7.28 2bn7A1 ASN 46 HD22 0.41 0.10 0.05 -0.04 7.74 8.26 2bn7A1 SER 47 H 0.15 0.18 0.17 -0.55 8.46 8.41 2bn7A1 SER 47 HA 0.16 0.19 0.22 -0.75 4.49 4.31 2bn7A1 SER 47 HB2 0.08 -0.08 0.07 -0.04 3.95 3.98 2bn7A1 SER 47 HB3 0.04 0.00 -0.05 -0.04 3.93 3.88 2bn7A1 ASP 48 H 0.32 0.05 -0.11 -0.55 8.40 8.12 2bn7A1 ASP 48 HA 0.22 0.16 0.48 -0.75 4.63 4.74 2bn7A1 ASP 48 HB2 0.57 -0.05 0.04 -0.04 2.71 3.24 2bn7A1 ASP 48 HB3 0.43 0.05 -0.06 -0.04 2.70 3.09 2bn7A1 PHE 49 H 0.53 0.05 -0.25 -0.55 8.34 8.11 2bn7A1 PHE 49 HA 0.28 0.07 0.37 -0.75 4.62 4.59 2bn7A1 PHE 49 HB2 0.33 0.10 -0.12 -0.04 3.15 3.42 2bn7A1 PHE 49 HB3 0.31 0.03 0.05 -0.04 3.06 3.42 2bn7A1 PHE 49 HD2 0.25 0.05 -0.37 -0.04 7.28 7.17 2bn7A1 PHE 49 HE2 0.26 -0.03 -0.15 -0.04 7.38 7.42 2bn7A1 PHE 49 HZ 0.33 -0.01 -0.17 -0.04 7.32 7.42 2bn7A1 TRP 50 H 0.59 0.59 -0.21 -0.55 7.97 8.39 2bn7A1 TRP 50 HA 0.16 -0.07 0.39 -0.75 4.62 4.34 2bn7A1 TRP 50 HB2 0.16 0.02 -0.07 -0.04 3.23 3.30 2bn7A1 TRP 50 HB3 0.12 0.12 0.05 -0.04 3.23 3.48 2bn7A1 TRP 50 HD1 0.04 0.03 -0.20 -0.04 7.22 7.06 2bn7A1 TRP 50 HE1 0.10 0.21 -0.07 -0.04 10.20 10.40 2bn7A1 TRP 50 HE3 0.15 0.05 -0.27 -0.04 7.59 7.48 2bn7A1 TRP 50 HZ2 0.10 0.03 -0.12 -0.04 7.44 7.41 2bn7A1 TRP 50 HZ3 0.08 -0.05 -0.49 -0.04 7.13 6.64 2bn7A1 TRP 50 HH2 0.07 0.04 -0.09 -0.04 7.19 7.17 2bn7A1 TYR 51 H 0.39 0.46 -0.23 -0.55 8.29 8.36 2bn7A1 TYR 51 HA 0.06 0.02 0.37 -0.75 4.56 4.25 2bn7A1 TYR 51 HB2 0.00 0.10 0.16 -0.04 3.06 3.28 2bn7A1 TYR 51 HB3 -0.35 0.13 0.12 -0.04 2.98 2.84 2bn7A1 TYR 51 HD2 -0.70 -0.01 -0.04 -0.04 7.15 6.36 2bn7A1 TYR 51 HE2 -0.11 0.00 -0.04 -0.04 6.85 6.65 2bn7A1 PHE 52 H 0.03 0.28 -0.42 -0.55 8.34 7.68 2bn7A1 PHE 52 HA -0.09 0.17 0.76 -0.75 4.62 4.71 2bn7A1 PHE 52 HB2 -0.21 0.02 0.06 -0.04 3.15 2.98 2bn7A1 PHE 52 HB3 -0.19 -0.02 0.08 -0.04 3.06 2.89 2bn7A1 PHE 52 HD2 -0.10 0.06 -0.10 -0.04 7.28 7.09 2bn7A1 PHE 52 HE2 -0.09 0.03 -0.19 -0.04 7.38 7.09 2bn7A1 PHE 52 HZ 0.05 -0.03 -0.06 -0.04 7.32 7.24 2bn7A1 THR 53 H -0.36 0.25 -0.22 -0.55 8.28 7.40 2bn7A1 THR 53 HA -0.58 0.26 0.96 -0.75 4.39 4.28 2bn7A1 THR 53 HB -0.33 -0.05 -0.04 -0.04 4.32 3.86 2bn7A1 THR 53 HG23 -0.58 -0.01 -0.23 -0.04 1.22 0.36 2bn7A1 GLY 54 H -1.00 0.63 0.26 -0.55 8.43 7.78 2bn7A1 GLY 54 HA2 -2.56 0.01 0.29 -0.51 4.01 1.25 2bn7A1 GLY 54 HA3 -1.23 0.09 0.56 -0.51 4.01 2.93 2bn7A1 PHE 55 H -0.15 0.07 -0.22 -0.55 8.34 7.49 2bn7A1 PHE 55 HA -0.01 0.15 0.58 -0.75 4.62 4.58 2bn7A1 PHE 55 HB2 -0.13 0.16 -0.16 -0.04 3.15 2.97 2bn7A1 PHE 55 HB3 0.15 -0.04 -0.01 -0.04 3.06 3.12 2bn7A1 PHE 55 HD2 0.24 0.06 -0.06 -0.04 7.28 7.48 2bn7A1 PHE 55 HE2 0.08 -0.01 -0.05 -0.04 7.38 7.35 2bn7A1 PHE 55 HZ 0.04 -0.10 -0.02 -0.04 7.32 7.21 2bn7A1 ASN 56 H -0.00 0.19 0.07 -0.55 8.53 8.25 2bn7A1 ASN 56 HA 0.35 0.15 0.52 -0.75 4.76 5.02 2bn7A1 ASN 56 HB2 0.48 0.06 -0.04 -0.04 2.88 3.33 2bn7A1 ASN 56 HB3 0.15 0.02 0.09 -0.04 2.79 3.01 2bn7A1 ASN 56 HD21 0.13 0.09 0.00 -0.04 7.03 7.22 2bn7A1 ASN 56 HD22 0.14 0.00 0.03 -0.04 7.74 7.88 2bn7A1 GLU 57 H -0.91 0.10 -0.32 -0.55 8.60 6.92 2bn7A1 GLU 57 HA -0.46 0.27 0.96 -0.75 4.29 4.32 2bn7A1 GLU 57 HB2 -0.80 -0.07 -0.01 -0.04 2.09 1.16 2bn7A1 GLU 57 HB3 -0.30 0.12 0.05 -0.04 1.99 1.82 2bn7A1 GLU 57 HG2 -0.25 0.15 -0.07 -0.04 2.34 2.14 2bn7A1 GLU 57 HG3 -0.73 -0.09 -0.11 -0.04 2.34 1.37 2bn7A1 PRO 58 HA -0.27 0.16 0.65 -0.51 4.44 4.47 2bn7A1 PRO 58 HB2 -0.37 -0.08 0.04 -0.04 2.28 1.83 2bn7A1 PRO 58 HB3 -0.46 0.12 0.05 -0.04 2.02 1.68 2bn7A1 PRO 58 HG2 -0.37 -0.00 -0.02 -0.04 2.03 1.59 2bn7A1 PRO 58 HG3 -0.54 0.06 0.03 -0.04 2.03 1.53 2bn7A1 PRO 58 HD2 -0.46 0.09 0.21 -0.04 3.68 3.47 2bn7A1 PRO 58 HD3 -1.17 0.22 0.10 -0.04 3.65 2.76 2bn7A1 GLU 59 H -0.39 0.18 0.06 -0.55 8.60 7.91 2bn7A1 GLU 59 HA -0.98 0.01 0.27 -0.75 4.29 2.84 2bn7A1 GLU 59 HB2 -0.45 0.14 -0.07 -0.04 2.09 1.67 2bn7A1 GLU 59 HB3 -1.40 -0.07 0.08 -0.04 1.99 0.56 2bn7A1 GLU 59 HG2 -0.60 0.01 0.00 -0.04 2.34 1.71 2bn7A1 GLU 59 HG3 -0.40 -0.00 -0.19 -0.04 2.34 1.71 2bn7A1 ALA 60 H -0.17 0.13 0.00 -0.55 8.40 7.81 2bn7A1 ALA 60 HA 0.24 0.36 0.77 -0.75 4.34 4.95 2bn7A1 ALA 60 HB3 0.26 0.02 -0.07 -0.04 1.41 1.58 2bn7A1 VAL 61 H 0.36 0.61 0.31 -0.55 8.24 8.97 2bn7A1 VAL 61 HA 0.16 0.23 0.95 -0.75 4.13 4.72 2bn7A1 VAL 61 HB 0.17 -0.06 0.05 -0.04 2.12 2.24 2bn7A1 VAL 61 HG13 -0.67 0.02 -0.22 -0.04 0.97 0.05 2bn7A1 VAL 61 HG23 0.12 -0.02 -0.28 -0.04 0.95 0.73 2bn7A1 LEU 62 H 0.30 0.59 0.31 -0.55 8.37 9.02 2bn7A1 LEU 62 HA 0.02 0.17 0.99 -0.75 4.35 4.78 2bn7A1 LEU 62 HB2 -0.18 -0.00 0.07 -0.04 1.64 1.49 2bn7A1 LEU 62 HB3 -0.10 -0.07 0.19 -0.04 1.64 1.61 2bn7A1 LEU 62 HG -0.19 -0.02 -0.26 -0.04 1.64 1.13 2bn7A1 LEU 62 HD13 -0.14 0.02 -0.04 -0.04 0.93 0.73 2bn7A1 LEU 62 HD23 -0.27 0.01 -0.07 -0.04 0.89 0.52 2bn7A1 VAL 63 H -0.02 0.81 0.39 -0.55 8.24 8.87 2bn7A1 VAL 63 HA -0.03 0.35 1.10 -0.75 4.13 4.80 2bn7A1 VAL 63 HB 0.02 -0.07 0.20 -0.04 2.12 2.23 2bn7A1 VAL 63 HG13 0.02 0.00 -0.18 -0.04 0.97 0.77 2bn7A1 VAL 63 HG23 0.19 -0.01 -0.19 -0.04 0.95 0.90 2bn7A1 LEU 64 H -0.11 0.57 0.31 -0.55 8.37 8.59 2bn7A1 LEU 64 HA -0.16 0.19 1.06 -0.75 4.35 4.69 2bn7A1 LEU 64 HB2 -0.21 -0.10 0.18 -0.04 1.64 1.47 2bn7A1 LEU 64 HB3 -0.18 0.08 0.01 -0.04 1.64 1.50 2bn7A1 LEU 64 HG -0.26 -0.06 -0.18 -0.04 1.64 1.09 2bn7A1 LEU 64 HD13 -0.45 0.01 -0.02 -0.04 0.93 0.44 2bn7A1 LEU 64 HD23 -0.18 0.03 -0.07 -0.04 0.89 0.63 2bn7A1 ILE 65 H -0.28 0.77 0.39 -0.55 8.25 8.59 2bn7A1 ILE 65 HA -0.10 0.26 1.10 -0.75 4.18 4.68 2bn7A1 ILE 65 HB -0.87 -0.07 0.16 -0.04 1.89 1.06 2bn7A1 ILE 65 HG12 -0.08 0.08 -0.12 -0.04 1.49 1.34 2bn7A1 ILE 65 HG13 -0.18 -0.15 -0.35 -0.04 1.21 0.49 2bn7A1 ILE 65 HG23 -0.06 0.02 -0.13 -0.04 0.93 0.71 2bn7A1 ILE 65 HD13 -0.07 -0.00 -0.10 -0.04 0.88 0.66 2bn7A1 LYS 66 H -0.02 0.68 0.32 -0.55 8.42 8.85 2bn7A1 LYS 66 HA -0.01 0.13 1.14 -0.75 4.32 4.83 2bn7A1 LYS 66 HB2 -0.03 -0.05 -0.02 -0.04 1.87 1.73 2bn7A1 LYS 66 HB3 0.02 0.06 0.14 -0.04 1.79 1.97 2bn7A1 LYS 66 HG2 0.03 -0.19 -0.35 -0.04 1.46 0.91 2bn7A1 LYS 66 HG3 0.01 0.06 -0.05 -0.04 1.46 1.44 2bn7A1 LYS 66 HD2 -0.01 0.05 -0.14 -0.04 1.69 1.54 2bn7A1 LYS 66 HD3 0.03 0.06 -0.66 -0.04 1.68 1.06 2bn7A1 LYS 66 HE2 0.02 -0.25 -0.40 -0.04 2.99 2.33 2bn7A1 LYS 66 HE3 0.01 -0.05 -0.21 -0.04 2.99 2.69 2bn7A1 SER 67 H 0.07 0.47 0.30 -0.55 8.46 8.74 2bn7A1 SER 67 HA 0.04 0.06 0.75 -0.75 4.49 4.59 2bn7A1 SER 67 HB2 0.10 -0.02 0.15 -0.04 3.95 4.14 2bn7A1 SER 67 HB3 0.02 -0.02 0.06 -0.04 3.93 3.94 2bn7A1 ASP 68 H 0.08 0.46 0.29 -0.55 8.40 8.69 2bn7A1 ASP 68 HA 0.03 0.16 0.45 -0.75 4.63 4.51 2bn7A1 ASP 68 HB2 0.02 -0.08 0.23 -0.04 2.71 2.85 2bn7A1 ASP 68 HB3 -0.00 0.20 -0.04 -0.04 2.70 2.82 2bn7A1 ASP 69 H 0.04 0.15 0.15 -0.55 8.40 8.20 2bn7A1 ASP 69 HA 0.03 0.21 0.30 -0.75 4.63 4.41 2bn7A1 ASP 69 HB2 0.03 -0.06 0.15 -0.04 2.71 2.79 2bn7A1 ASP 69 HB3 0.03 0.03 -0.01 -0.04 2.70 2.70 2bn7A1 THR 70 H 0.15 -0.06 -0.32 -0.55 8.28 7.50 2bn7A1 THR 70 HA -0.01 0.28 0.89 -0.75 4.39 4.80 2bn7A1 THR 70 HB -0.07 0.01 0.14 -0.04 4.32 4.36 2bn7A1 THR 70 HG23 0.02 -0.00 -0.15 -0.04 1.22 1.05 2bn7A1 HIS 71 H 0.17 0.23 -0.15 -0.55 8.41 8.11 2bn7A1 HIS 71 HA 0.02 0.23 0.99 -0.75 4.63 5.11 2bn7A1 HIS 71 HB2 0.02 -0.14 0.13 -0.04 3.26 3.23 2bn7A1 HIS 71 HB3 0.03 0.06 0.02 -0.04 3.20 3.27 2bn7A1 HIS 71 HD2 0.00 0.02 -0.02 -0.04 6.97 6.93 2bn7A1 HIS 71 HE1 0.00 -0.00 -0.07 -0.04 7.75 7.63 2bn7A1 ASN 72 H 0.04 0.35 0.22 -0.55 8.53 8.59 2bn7A1 ASN 72 HA 0.06 0.12 0.72 -0.75 4.76 4.90 2bn7A1 ASN 72 HB2 -0.06 0.09 0.12 -0.04 2.88 2.99 2bn7A1 ASN 72 HB3 -0.01 0.04 0.05 -0.04 2.79 2.83 2bn7A1 ASN 72 HD21 -0.03 0.02 -0.14 -0.04 7.03 6.84 2bn7A1 ASN 72 HD22 -0.01 0.01 -0.36 -0.04 7.74 7.34 2bn7A1 HIS 73 H -0.22 0.61 0.42 -0.55 8.41 8.67 2bn7A1 HIS 73 HA -0.04 0.13 0.65 -0.75 4.63 4.61 2bn7A1 HIS 73 HB2 -0.04 -0.04 0.18 -0.04 3.26 3.32 2bn7A1 HIS 73 HB3 -0.02 0.08 -0.04 -0.04 3.20 3.17 2bn7A1 HIS 73 HD2 -0.04 0.01 -0.22 -0.04 6.97 6.68 2bn7A1 HIS 73 HE1 0.00 0.04 -0.08 -0.04 7.75 7.66 2bn7A1 SER 74 H 0.04 0.14 0.29 -0.55 8.46 8.39 2bn7A1 SER 74 HA -0.12 0.35 1.24 -0.75 4.49 5.21 2bn7A1 SER 74 HB2 -0.10 0.05 0.07 -0.04 3.95 3.93 2bn7A1 SER 74 HB3 -0.10 0.05 0.01 -0.04 3.93 3.85 2bn7A1 VAL 75 H -0.08 0.80 0.43 -0.55 8.24 8.84 2bn7A1 VAL 75 HA -0.10 0.21 0.90 -0.75 4.13 4.38 2bn7A1 VAL 75 HB -0.05 -0.03 0.07 -0.04 2.12 2.07 2bn7A1 VAL 75 HG13 -0.37 -0.02 -0.24 -0.04 0.97 0.29 2bn7A1 VAL 75 HG23 0.01 0.01 -0.21 -0.04 0.95 0.72 2bn7A1 LEU 76 H -0.15 0.73 0.36 -0.55 8.37 8.76 2bn7A1 LEU 76 HA -0.00 0.29 1.09 -0.75 4.35 4.98 2bn7A1 LEU 76 HB2 -0.11 0.03 0.02 -0.04 1.64 1.54 2bn7A1 LEU 76 HB3 -0.12 -0.04 0.13 -0.04 1.64 1.58 2bn7A1 LEU 76 HG 0.04 -0.04 -0.48 -0.04 1.64 1.12 2bn7A1 LEU 76 HD13 0.13 0.03 -0.12 -0.04 0.93 0.93 2bn7A1 LEU 76 HD23 -0.28 -0.01 -0.14 -0.04 0.89 0.42 2bn7A1 PHE 77 H 0.28 0.70 0.32 -0.55 8.34 9.09 2bn7A1 PHE 77 HA 0.10 0.28 0.75 -0.75 4.62 4.99 2bn7A1 PHE 77 HB2 0.18 -0.06 0.14 -0.04 3.15 3.36 2bn7A1 PHE 77 HB3 0.24 -0.06 -0.08 -0.04 3.06 3.12 2bn7A1 PHE 77 HD2 0.02 0.10 -0.26 -0.04 7.28 7.10 2bn7A1 PHE 77 HE2 -0.02 0.04 -0.22 -0.04 7.38 7.14 2bn7A1 PHE 77 HZ -0.02 0.03 -0.25 -0.04 7.32 7.03 2bn7A1 ASN 78 H 0.22 0.57 0.23 -0.55 8.53 9.01 2bn7A1 ASN 78 HA 0.24 0.35 0.66 -0.75 4.76 5.25 2bn7A1 ASN 78 HB2 0.30 -0.04 0.10 -0.04 2.88 3.20 2bn7A1 ASN 78 HB3 0.21 0.08 -0.14 -0.04 2.79 2.90 2bn7A1 ASN 78 HD21 -0.00 0.42 -0.24 -0.04 7.03 7.16 2bn7A1 ASN 78 HD22 0.12 -0.09 -0.08 -0.04 7.74 7.65 2bn7A1 ARG 79 H 0.12 0.25 0.15 -0.55 8.46 8.43 2bn7A1 ARG 79 HA 0.13 -0.11 0.47 -0.75 4.34 4.08 2bn7A1 ARG 79 HB2 0.05 0.00 0.13 -0.04 1.90 2.03 2bn7A1 ARG 79 HB3 0.04 0.00 0.02 -0.04 1.80 1.83 2bn7A1 ARG 79 HG2 -0.02 -0.08 0.05 -0.04 1.67 1.58 2bn7A1 ARG 79 HG3 -0.11 0.00 0.10 -0.04 1.67 1.62 2bn7A1 ARG 79 HD2 -0.11 0.00 -0.00 -0.04 3.22 3.07 2bn7A1 ARG 79 HD3 -0.04 0.00 -0.02 -0.04 3.22 3.13 2bn7A1 VAL 80 H 0.11 0.03 0.24 -0.55 8.24 8.06 2bn7A1 VAL 80 HA 0.07 0.00 0.60 -0.75 4.13 4.05 2bn7A1 VAL 80 HB 0.08 -0.09 0.19 -0.04 2.12 2.26 2bn7A1 VAL 80 HG13 0.06 0.03 -0.09 -0.04 0.97 0.93 2bn7A1 VAL 80 HG23 0.05 0.04 0.12 -0.04 0.95 1.12 2bn7A1 ARG 81 H 0.05 0.03 0.17 -0.55 8.46 8.16 2bn7A1 ARG 81 HA 0.05 0.14 0.60 -0.75 4.34 4.38 2bn7A1 ARG 81 HB2 0.03 -0.02 0.10 -0.04 1.90 1.97 2bn7A1 ARG 81 HB3 0.04 0.02 -0.02 -0.04 1.80 1.80 2bn7A1 ARG 81 HG2 0.05 0.04 -0.24 -0.04 1.67 1.48 2bn7A1 ARG 81 HG3 0.04 -0.19 0.04 -0.04 1.67 1.52 2bn7A1 ARG 81 HD2 0.03 0.16 -0.08 -0.04 3.22 3.29 2bn7A1 ARG 81 HD3 0.03 -0.05 -0.01 -0.04 3.22 3.15 2bn7A1 ASP 82 H 0.05 0.24 0.00 -0.55 8.40 8.15 2bn7A1 ASP 82 HA 0.04 0.12 0.74 -0.75 4.63 4.78 2bn7A1 ASP 82 HB2 0.05 0.14 -0.35 -0.04 2.71 2.51 2bn7A1 ASP 82 HB3 0.07 0.02 0.07 -0.04 2.70 2.81 2bn7A1 LEU 83 H 0.04 0.23 0.12 -0.55 8.37 8.21 2bn7A1 LEU 83 HA 0.04 0.09 0.29 -0.75 4.35 4.03 2bn7A1 LEU 83 HB2 0.03 0.04 0.11 -0.04 1.64 1.78 2bn7A1 LEU 83 HB3 0.04 -0.00 0.12 -0.04 1.64 1.76 2bn7A1 LEU 83 HG 0.04 0.02 -0.15 -0.04 1.64 1.51 2bn7A1 LEU 83 HD13 0.02 0.00 0.04 -0.04 0.93 0.95 2bn7A1 LEU 83 HD23 0.02 0.02 -0.00 -0.04 0.89 0.89 2bn7A1 THR 84 H 0.06 0.07 -0.10 -0.55 8.28 7.77 2bn7A1 THR 84 HA 0.16 0.14 0.42 -0.75 4.39 4.35 2bn7A1 THR 84 HB 0.06 -0.06 0.09 -0.04 4.32 4.36 2bn7A1 THR 84 HG23 0.05 0.03 -0.11 -0.04 1.22 1.15 2bn7A1 ALA 85 H 0.09 0.03 -0.17 -0.55 8.40 7.80 2bn7A1 ALA 85 HA 0.19 0.08 0.43 -0.75 4.34 4.28 2bn7A1 ALA 85 HB3 0.13 0.02 0.05 -0.04 1.41 1.57 2bn7A1 GLU 86 H 0.09 0.34 -0.35 -0.55 8.60 8.13 2bn7A1 GLU 86 HA 0.09 0.29 0.50 -0.75 4.29 4.42 2bn7A1 GLU 86 HB2 0.05 0.00 0.05 -0.04 2.09 2.15 2bn7A1 GLU 86 HB3 0.05 -0.04 -0.13 -0.04 1.99 1.82 2bn7A1 GLU 86 HG2 0.07 0.31 -0.01 -0.04 2.34 2.66 2bn7A1 GLU 86 HG3 0.07 0.02 -0.00 -0.04 2.34 2.39 2bn7A1 ILE 87 H 0.06 0.60 0.06 -0.55 8.25 8.43 2bn7A1 ILE 87 HA -0.06 0.03 0.52 -0.75 4.18 3.91 2bn7A1 ILE 87 HB 0.07 0.08 0.19 -0.04 1.89 2.18 2bn7A1 ILE 87 HG12 -0.04 -0.01 0.06 -0.04 1.49 1.45 2bn7A1 ILE 87 HG13 0.01 0.03 0.10 -0.04 1.21 1.31 2bn7A1 ILE 87 HG23 -0.28 -0.01 -0.12 -0.04 0.93 0.48 2bn7A1 ILE 87 HD13 0.01 -0.04 -0.05 -0.04 0.88 0.77 2bn7A1 TRP 88 H 0.12 0.21 -0.41 -0.55 7.97 7.34 2bn7A1 TRP 88 HA -0.36 0.10 0.53 -0.75 4.62 4.14 2bn7A1 TRP 88 HB2 -0.62 0.03 0.14 -0.04 3.23 2.74 2bn7A1 TRP 88 HB3 -1.95 -0.02 -0.03 -0.04 3.23 1.20 2bn7A1 TRP 88 HD1 -0.15 0.21 0.05 -0.04 7.22 7.30 2bn7A1 TRP 88 HE1 -0.08 -0.05 -0.02 -0.04 10.20 10.01 2bn7A1 TRP 88 HE3 -0.43 0.03 0.00 -0.04 7.59 7.15 2bn7A1 TRP 88 HZ2 -0.05 -0.02 -0.01 -0.04 7.44 7.31 2bn7A1 TRP 88 HZ3 -0.03 -0.01 0.00 -0.04 7.13 7.05 2bn7A1 TRP 88 HH2 -0.03 -0.01 -0.01 -0.04 7.19 7.10 2bn7A1 PHE 89 H 0.06 0.39 0.06 -0.55 8.34 8.29 2bn7A1 PHE 89 HA 0.10 0.19 0.83 -0.75 4.62 4.98 2bn7A1 PHE 89 HB2 0.06 0.08 0.09 -0.04 3.15 3.34 2bn7A1 PHE 89 HB3 0.04 -0.04 0.12 -0.04 3.06 3.14 2bn7A1 PHE 89 HD2 0.09 0.04 0.00 -0.04 7.28 7.38 2bn7A1 PHE 89 HE2 0.02 -0.03 -0.02 -0.04 7.38 7.31 2bn7A1 PHE 89 HZ -0.10 -0.03 -0.02 -0.04 7.32 7.12 2bn7A1 GLY 90 H 0.09 0.20 0.09 -0.55 8.43 8.26 2bn7A1 GLY 90 HA2 0.05 0.00 0.33 -0.51 4.01 3.88 2bn7A1 GLY 90 HA3 0.08 0.20 0.86 -0.51 4.01 4.64 2bn7A1 ARG 91 H 0.04 0.11 0.13 -0.55 8.46 8.19 2bn7A1 ARG 91 HA 0.05 -0.04 0.32 -0.75 4.34 3.92 2bn7A1 ARG 91 HB2 0.05 0.02 0.03 -0.04 1.90 1.96 2bn7A1 ARG 91 HB3 0.04 0.03 0.00 -0.04 1.80 1.84 2bn7A1 ARG 91 HG2 0.03 -0.02 0.01 -0.04 1.67 1.65 2bn7A1 ARG 91 HG3 0.03 0.01 0.08 -0.04 1.67 1.75 2bn7A1 ARG 91 HD2 0.03 0.02 -0.01 -0.04 3.22 3.23 2bn7A1 ARG 91 HD3 0.03 -0.00 -0.01 -0.04 3.22 3.19 2bn7A1 ARG 92 H 0.06 0.12 0.16 -0.55 8.46 8.24 2bn7A1 ARG 92 HA 0.07 0.22 0.85 -0.75 4.34 4.74 2bn7A1 ARG 92 HB2 0.06 -0.12 -0.04 -0.04 1.90 1.76 2bn7A1 ARG 92 HB3 0.08 -0.06 -0.10 -0.04 1.80 1.68 2bn7A1 ARG 92 HG2 0.03 0.06 -0.10 -0.04 1.67 1.63 2bn7A1 ARG 92 HG3 0.06 0.14 -0.27 -0.04 1.67 1.55 2bn7A1 ARG 92 HD2 0.06 -0.14 -0.02 -0.04 3.22 3.07 2bn7A1 ARG 92 HD3 0.05 0.01 -0.15 -0.04 3.22 3.10 2bn7A1 LEU 93 H 0.18 0.15 0.07 -0.55 8.37 8.23 2bn7A1 LEU 93 HA 0.08 0.10 0.37 -0.75 4.35 4.15 2bn7A1 LEU 93 HB2 0.26 0.03 0.05 -0.04 1.64 1.94 2bn7A1 LEU 93 HB3 0.19 -0.04 0.09 -0.04 1.64 1.84 2bn7A1 LEU 93 HG -0.03 0.10 -0.30 -0.04 1.64 1.37 2bn7A1 LEU 93 HD13 0.01 0.01 -0.12 -0.04 0.93 0.79 2bn7A1 LEU 93 HD23 -0.29 -0.00 -0.10 -0.04 0.89 0.46 2bn7A1 GLY 94 H 0.10 0.10 -0.10 -0.55 8.43 7.98 2bn7A1 GLY 94 HA2 0.06 0.18 0.28 -0.51 4.01 4.01 2bn7A1 GLY 94 HA3 0.04 0.03 0.53 -0.51 4.01 4.10 2bn7A1 GLN 95 H 0.02 0.05 0.14 -0.55 8.47 8.13 2bn7A1 GLN 95 HA -0.03 0.17 0.41 -0.75 4.36 4.16 2bn7A1 GLN 95 HB2 0.00 -0.07 0.09 -0.04 2.15 2.13 2bn7A1 GLN 95 HB3 -0.03 0.20 -0.06 -0.04 2.02 2.09 2bn7A1 GLN 95 HG2 -0.00 -0.02 -0.24 -0.04 2.40 2.09 2bn7A1 GLN 95 HG3 -0.01 0.05 -0.54 -0.04 2.39 1.85 2bn7A1 GLN 95 HE21 0.09 0.09 -0.75 -0.04 6.97 6.36 2bn7A1 GLN 95 HE22 0.06 0.06 -0.46 -0.04 7.69 7.31 2bn7A1 ASP 96 H -0.00 0.01 0.08 -0.55 8.40 7.93 2bn7A1 ASP 96 HA -0.02 0.13 0.40 -0.75 4.63 4.38 2bn7A1 ASP 96 HB2 -0.00 -0.05 0.13 -0.04 2.71 2.75 2bn7A1 ASP 96 HB3 -0.01 0.08 -0.03 -0.04 2.70 2.70 2bn7A1 ALA 97 H -0.01 0.12 -0.27 -0.55 8.40 7.69 2bn7A1 ALA 97 HA -0.02 0.13 0.50 -0.75 4.34 4.20 2bn7A1 ALA 97 HB3 -0.01 0.05 0.03 -0.04 1.41 1.44 2bn7A1 ALA 98 H -0.06 0.20 -0.55 -0.55 8.40 7.44 2bn7A1 ALA 98 HA -0.14 0.00 0.15 -0.75 4.34 3.60 2bn7A1 ALA 98 HB3 -0.14 0.08 -0.02 -0.04 1.41 1.28 2bn7A1 PRO 99 HA -0.09 0.03 0.38 -0.51 4.44 4.25 2bn7A1 PRO 99 HB2 -0.05 -0.02 -0.01 -0.04 2.28 2.16 2bn7A1 PRO 99 HB3 -0.06 0.23 -0.01 -0.04 2.02 2.13 2bn7A1 PRO 99 HG2 -0.05 0.06 0.01 -0.04 2.03 2.00 2bn7A1 PRO 99 HG3 -0.07 -0.08 -0.18 -0.04 2.03 1.66 2bn7A1 PRO 99 HD2 -0.06 0.22 -0.25 -0.04 3.68 3.56 2bn7A1 PRO 99 HD3 -0.07 0.15 0.04 -0.04 3.65 3.72 2bn7A1 GLU 100 H -0.05 0.18 -0.29 -0.55 8.60 7.89 2bn7A1 GLU 100 HA -0.04 0.09 0.47 -0.75 4.29 4.05 2bn7A1 GLU 100 HB2 -0.03 -0.01 0.08 -0.04 2.09 2.08 2bn7A1 GLU 100 HB3 -0.03 0.06 0.08 -0.04 1.99 2.05 2bn7A1 GLU 100 HG2 -0.03 0.00 0.05 -0.04 2.34 2.32 2bn7A1 GLU 100 HG3 -0.02 -0.03 0.01 -0.04 2.34 2.26 2bn7A1 LYS 101 H -0.07 0.45 -0.04 -0.55 8.42 8.21 2bn7A1 LYS 101 HA -0.05 0.02 0.35 -0.75 4.32 3.89 2bn7A1 LYS 101 HB2 -0.04 -0.01 0.07 -0.04 1.87 1.85 2bn7A1 LYS 101 HB3 -0.10 -0.03 0.05 -0.04 1.79 1.68 2bn7A1 LYS 101 HG2 -0.03 -0.09 -0.08 -0.04 1.46 1.22 2bn7A1 LYS 101 HG3 -0.07 0.06 -0.24 -0.04 1.46 1.17 2bn7A1 LYS 101 HD2 -0.02 0.03 0.07 -0.04 1.69 1.73 2bn7A1 LYS 101 HD3 -0.00 -0.03 0.00 -0.04 1.68 1.60 2bn7A1 LYS 101 HE2 0.04 -0.05 -0.03 -0.04 2.99 2.91 2bn7A1 LYS 101 HE3 0.02 0.04 -0.02 -0.04 2.99 2.99 2bn7A1 LEU 102 H -0.14 0.64 -0.07 -0.55 8.37 8.26 2bn7A1 LEU 102 HA -0.18 0.24 0.86 -0.75 4.35 4.50 2bn7A1 LEU 102 HB2 -0.24 -0.02 -0.03 -0.04 1.64 1.30 2bn7A1 LEU 102 HB3 -0.28 0.02 0.10 -0.04 1.64 1.44 2bn7A1 LEU 102 HG -0.31 -0.07 -0.13 -0.04 1.64 1.08 2bn7A1 LEU 102 HD13 -0.86 -0.04 -0.09 -0.04 0.93 -0.09 2bn7A1 LEU 102 HD23 -0.23 0.05 -0.16 -0.04 0.89 0.51 2bn7A1 GLY 103 H -0.09 0.25 -0.35 -0.55 8.43 7.69 2bn7A1 GLY 103 HA2 -0.06 0.10 0.35 -0.51 4.01 3.89 2bn7A1 GLY 103 HA3 -0.06 -0.05 0.34 -0.51 4.01 3.73 2bn7A1 VAL 104 H -0.11 0.09 -0.17 -0.55 8.24 7.51 2bn7A1 VAL 104 HA -0.08 0.18 0.86 -0.75 4.13 4.33 2bn7A1 VAL 104 HB -0.10 -0.08 -0.07 -0.04 2.12 1.83 2bn7A1 VAL 104 HG13 -0.14 0.04 -0.18 -0.04 0.97 0.64 2bn7A1 VAL 104 HG23 -0.13 -0.02 -0.32 -0.04 0.95 0.44 2bn7A1 ASP 105 H -0.05 0.16 0.22 -0.55 8.40 8.19 2bn7A1 ASP 105 HA -0.04 0.13 0.51 -0.75 4.63 4.47 2bn7A1 ASP 105 HB2 0.02 0.16 0.26 -0.04 2.71 3.11 2bn7A1 ASP 105 HB3 -0.02 -0.01 0.15 -0.04 2.70 2.78 2bn7A1 ARG 106 H -0.07 0.19 -0.00 -0.55 8.46 8.02 2bn7A1 ARG 106 HA -0.07 0.12 0.77 -0.75 4.34 4.41 2bn7A1 ARG 106 HB2 -0.05 0.06 -0.33 -0.04 1.90 1.54 2bn7A1 ARG 106 HB3 -0.07 -0.03 0.07 -0.04 1.80 1.73 2bn7A1 ARG 106 HG2 -0.12 -0.06 -0.14 -0.04 1.67 1.31 2bn7A1 ARG 106 HG3 -0.07 0.02 0.08 -0.04 1.67 1.65 2bn7A1 ARG 106 HD2 -0.06 0.04 -0.04 -0.04 3.22 3.12 2bn7A1 ARG 106 HD3 -0.05 -0.00 -0.08 -0.04 3.22 3.05 2bn7A1 ALA 107 H -0.10 0.28 0.17 -0.55 8.40 8.20 2bn7A1 ALA 107 HA -0.17 0.27 0.95 -0.75 4.34 4.64 2bn7A1 ALA 107 HB3 -0.09 0.02 0.01 -0.04 1.41 1.32 2bn7A1 LEU 108 H -0.29 0.83 0.37 -0.55 8.37 8.74 2bn7A1 LEU 108 HA -0.08 0.14 0.88 -0.75 4.35 4.53 2bn7A1 LEU 108 HB2 -0.80 0.02 -0.04 -0.04 1.64 0.77 2bn7A1 LEU 108 HB3 -0.07 -0.03 0.03 -0.04 1.64 1.53 2bn7A1 LEU 108 HG -0.31 -0.05 -0.35 -0.04 1.64 0.89 2bn7A1 LEU 108 HD13 -0.27 0.01 -0.14 -0.04 0.93 0.50 2bn7A1 LEU 108 HD23 -0.08 0.04 -0.05 -0.04 0.89 0.76 2bn7A1 ALA 109 H 0.06 0.15 0.14 -0.55 8.40 8.20 2bn7A1 ALA 109 HA 0.15 0.28 0.63 -0.75 4.34 4.64 2bn7A1 ALA 109 HB3 0.10 -0.01 0.13 -0.04 1.41 1.59 2bn7A1 PHE 110 H 0.34 0.60 0.19 -0.55 8.34 8.91 2bn7A1 PHE 110 HA 0.26 0.07 0.39 -0.75 4.62 4.59 2bn7A1 PHE 110 HB2 0.17 0.12 -0.19 -0.04 3.15 3.20 2bn7A1 PHE 110 HB3 0.10 -0.05 -0.09 -0.04 3.06 2.98 2bn7A1 PHE 110 HD2 0.11 -0.00 -0.31 -0.04 7.28 7.04 2bn7A1 PHE 110 HE2 0.17 0.02 -0.14 -0.04 7.38 7.38 2bn7A1 PHE 110 HZ 0.24 0.00 -0.08 -0.04 7.32 7.44 2bn7A1 SER 111 H 0.20 0.06 -0.18 -0.55 8.46 8.00 2bn7A1 SER 111 HA 0.01 0.12 0.47 -0.75 4.49 4.35 2bn7A1 SER 111 HB2 0.06 0.07 0.09 -0.04 3.95 4.13 2bn7A1 SER 111 HB3 0.12 -0.00 0.09 -0.04 3.93 4.09 2bn7A1 GLU 112 H 0.09 0.39 -0.60 -0.55 8.60 7.93 2bn7A1 GLU 112 HA 0.02 0.19 0.83 -0.75 4.29 4.58 2bn7A1 GLU 112 HB2 0.14 0.12 0.05 -0.04 2.09 2.35 2bn7A1 GLU 112 HB3 0.09 0.00 0.12 -0.04 1.99 2.16 2bn7A1 GLU 112 HG2 0.07 -0.12 -0.11 -0.04 2.34 2.14 2bn7A1 GLU 112 HG3 0.06 0.04 0.00 -0.04 2.34 2.39 2bn7A1 ILE 113 H -0.21 0.46 -0.26 -0.55 8.25 7.69 2bn7A1 ILE 113 HA -0.49 0.07 0.24 -0.75 4.18 3.24 2bn7A1 ILE 113 HB -0.71 0.05 0.12 -0.04 1.89 1.31 2bn7A1 ILE 113 HG12 -0.50 -0.02 -0.11 -0.04 1.49 0.82 2bn7A1 ILE 113 HG13 -1.76 0.00 0.00 -0.04 1.21 -0.58 2bn7A1 ILE 113 HG23 -0.51 0.03 -0.04 -0.04 0.93 0.37 2bn7A1 ILE 113 HD13 -0.36 -0.00 -0.09 -0.04 0.88 0.39 2bn7A1 ASN 114 H -0.13 0.17 -0.21 -0.55 8.53 7.80 2bn7A1 ASN 114 HA -0.03 0.10 0.49 -0.75 4.76 4.57 2bn7A1 ASN 114 HB2 -0.03 0.03 0.00 -0.04 2.88 2.84 2bn7A1 ASN 114 HB3 -0.01 0.07 0.01 -0.04 2.79 2.82 2bn7A1 ASN 114 HD21 -0.06 -0.00 -0.03 -0.04 7.03 6.90 2bn7A1 ASN 114 HD22 -0.05 0.04 -0.02 -0.04 7.74 7.67 2bn7A1 GLN 115 H 0.02 0.14 -0.35 -0.55 8.47 7.73 2bn7A1 GLN 115 HA 0.21 0.14 0.59 -0.75 4.36 4.55 2bn7A1 GLN 115 HB2 0.06 0.08 0.09 -0.04 2.15 2.34 2bn7A1 GLN 115 HB3 0.08 0.02 0.06 -0.04 2.02 2.15 2bn7A1 GLN 115 HG2 0.05 0.01 0.02 -0.04 2.40 2.43 2bn7A1 GLN 115 HG3 0.07 0.04 -0.01 -0.04 2.39 2.45 2bn7A1 GLN 115 HE21 0.00 -0.01 -0.08 -0.04 6.97 6.84 2bn7A1 GLN 115 HE22 0.02 0.07 -0.11 -0.04 7.69 7.63 2bn7A1 GLN 116 H 0.03 0.14 -0.39 -0.55 8.47 7.70 2bn7A1 GLN 116 HA -0.07 0.22 0.72 -0.75 4.36 4.47 2bn7A1 GLN 116 HB2 0.31 0.01 -0.03 -0.04 2.15 2.40 2bn7A1 GLN 116 HB3 0.26 -0.02 -0.11 -0.04 2.02 2.11 2bn7A1 GLN 116 HG2 0.11 0.06 -0.13 -0.04 2.40 2.40 2bn7A1 GLN 116 HG3 0.17 -0.08 -0.10 -0.04 2.39 2.34 2bn7A1 GLN 116 HE21 0.01 0.03 -0.06 -0.04 6.97 6.91 2bn7A1 GLN 116 HE22 0.04 -0.06 -0.11 -0.04 7.69 7.53 2bn7A1 LEU 117 H -0.04 0.61 0.16 -0.55 8.37 8.55 2bn7A1 LEU 117 HA 0.06 0.06 0.30 -0.75 4.35 4.01 2bn7A1 LEU 117 HB2 -0.25 -0.02 0.09 -0.04 1.64 1.42 2bn7A1 LEU 117 HB3 -0.04 0.03 0.11 -0.04 1.64 1.70 2bn7A1 LEU 117 HG 0.03 0.02 -0.28 -0.04 1.64 1.37 2bn7A1 LEU 117 HD13 0.02 -0.01 -0.06 -0.04 0.93 0.84 2bn7A1 LEU 117 HD23 0.00 0.00 -0.14 -0.04 0.89 0.71 2bn7A1 TYR 118 H 0.18 0.18 -0.17 -0.55 8.29 7.93 2bn7A1 TYR 118 HA 0.01 0.07 0.34 -0.75 4.56 4.22 2bn7A1 TYR 118 HB2 0.00 0.10 0.04 -0.04 3.06 3.16 2bn7A1 TYR 118 HB3 -0.01 -0.04 0.11 -0.04 2.98 3.00 2bn7A1 TYR 118 HD2 -0.00 0.03 -0.21 -0.04 7.15 6.93 2bn7A1 TYR 118 HE2 0.01 0.03 -0.05 -0.04 6.85 6.79 2bn7A1 GLN 119 H -0.68 0.12 -0.48 -0.55 8.47 6.88 2bn7A1 GLN 119 HA -0.24 0.09 0.42 -0.75 4.36 3.87 2bn7A1 GLN 119 HB2 -0.23 0.15 0.07 -0.04 2.15 2.10 2bn7A1 GLN 119 HB3 -0.18 -0.00 0.02 -0.04 2.02 1.81 2bn7A1 GLN 119 HG2 -0.62 -0.00 -0.01 -0.04 2.40 1.73 2bn7A1 GLN 119 HG3 -1.14 -0.02 0.01 -0.04 2.39 1.21 2bn7A1 GLN 119 HE21 -0.06 -0.13 0.02 -0.04 6.97 6.77 2bn7A1 GLN 119 HE22 -0.21 0.61 0.27 -0.04 7.69 8.33 2bn7A1 LEU 120 H -0.05 0.26 -0.23 -0.55 8.37 7.80 2bn7A1 LEU 120 HA 0.02 0.09 0.53 -0.75 4.35 4.24 2bn7A1 LEU 120 HB2 0.06 0.08 0.07 -0.04 1.64 1.82 2bn7A1 LEU 120 HB3 0.05 -0.04 -0.05 -0.04 1.64 1.56 2bn7A1 LEU 120 HG 0.07 0.12 -0.04 -0.04 1.64 1.75 2bn7A1 LEU 120 HD13 0.18 -0.04 -0.12 -0.04 0.93 0.90 2bn7A1 LEU 120 HD23 0.05 -0.00 -0.09 -0.04 0.89 0.81 2bn7A1 LEU 121 H 0.02 0.29 -0.22 -0.55 8.37 7.91 2bn7A1 LEU 121 HA 0.04 0.11 0.61 -0.75 4.35 4.35 2bn7A1 LEU 121 HB2 0.06 0.02 -0.02 -0.04 1.64 1.66 2bn7A1 LEU 121 HB3 0.04 -0.04 0.03 -0.04 1.64 1.63 2bn7A1 LEU 121 HG 0.05 0.16 -0.08 -0.04 1.64 1.73 2bn7A1 LEU 121 HD13 0.04 -0.04 -0.12 -0.04 0.93 0.77 2bn7A1 LEU 121 HD23 0.05 -0.00 -0.15 -0.04 0.89 0.75 2bn7A1 ASN 122 H 0.03 0.23 -0.29 -0.55 8.53 7.95 2bn7A1 ASN 122 HA 0.05 0.10 0.51 -0.75 4.76 4.67 2bn7A1 ASN 122 HB2 0.07 0.03 0.14 -0.04 2.88 3.08 2bn7A1 ASN 122 HB3 0.02 0.12 0.14 -0.04 2.79 3.03 2bn7A1 ASN 122 HD21 0.03 0.09 0.01 -0.04 7.03 7.12 2bn7A1 ASN 122 HD22 0.02 -0.01 0.00 -0.04 7.74 7.71 2bn7A1 GLY 123 H 0.03 0.48 0.28 -0.55 8.43 8.68 2bn7A1 GLY 123 HA2 0.02 -0.06 0.29 -0.51 4.01 3.75 2bn7A1 GLY 123 HA3 0.02 0.05 0.36 -0.51 4.01 3.93 2bn7A1 LEU 124 H 0.03 0.40 -0.37 -0.55 8.37 7.88 2bn7A1 LEU 124 HA 0.02 0.06 0.57 -0.75 4.35 4.25 2bn7A1 LEU 124 HB2 0.03 0.01 -0.04 -0.04 1.64 1.60 2bn7A1 LEU 124 HB3 0.03 0.03 -0.01 -0.04 1.64 1.65 2bn7A1 LEU 124 HG 0.03 0.14 -0.28 -0.04 1.64 1.49 2bn7A1 LEU 124 HD13 0.03 -0.04 -0.15 -0.04 0.93 0.73 2bn7A1 LEU 124 HD23 0.03 -0.03 -0.22 -0.04 0.89 0.62 2bn7A1 ASP 125 H 0.02 0.66 0.40 -0.55 8.40 8.93 2bn7A1 ASP 125 HA 0.00 0.07 0.85 -0.75 4.63 4.80 2bn7A1 ASP 125 HB2 0.01 0.18 0.20 -0.04 2.71 3.06 2bn7A1 ASP 125 HB3 0.00 -0.12 0.10 -0.04 2.70 2.64 2bn7A1 VAL 126 H 0.00 0.43 0.31 -0.55 8.24 8.44 2bn7A1 VAL 126 HA -0.08 0.29 1.01 -0.75 4.13 4.60 2bn7A1 VAL 126 HB -0.05 0.02 0.00 -0.04 2.12 2.05 2bn7A1 VAL 126 HG13 -0.53 -0.04 -0.24 -0.04 0.97 0.12 2bn7A1 VAL 126 HG23 -0.05 -0.01 -0.20 -0.04 0.95 0.65 2bn7A1 VAL 127 H -0.10 0.69 0.35 -0.55 8.24 8.64 2bn7A1 VAL 127 HA 0.06 0.22 0.94 -0.75 4.13 4.59 2bn7A1 VAL 127 HB 0.03 0.07 0.04 -0.04 2.12 2.22 2bn7A1 VAL 127 HG13 0.02 0.00 0.04 -0.04 0.97 0.98 2bn7A1 VAL 127 HG23 0.11 -0.02 -0.11 -0.04 0.95 0.89 2bn7A1 TYR 128 H 0.32 0.74 0.36 -0.55 8.29 9.16 2bn7A1 TYR 128 HA 0.20 0.24 1.07 -0.75 4.56 5.31 2bn7A1 TYR 128 HB2 0.24 -0.08 0.25 -0.04 3.06 3.43 2bn7A1 TYR 128 HB3 0.50 -0.09 0.06 -0.04 2.98 3.40 2bn7A1 TYR 128 HD2 0.12 0.01 -0.24 -0.04 7.15 6.99 2bn7A1 TYR 128 HE2 0.06 0.06 -0.11 -0.04 6.85 6.82 2bn7A1 HIS 129 H 0.20 0.61 0.28 -0.55 8.41 8.96 2bn7A1 HIS 129 HA 0.41 0.17 0.84 -0.75 4.63 5.30 2bn7A1 HIS 129 HB2 0.19 0.11 -0.20 -0.04 3.26 3.32 2bn7A1 HIS 129 HB3 0.06 0.03 -0.03 -0.04 3.20 3.22 2bn7A1 HIS 129 HD2 -0.02 0.04 -0.12 -0.04 6.97 6.83 2bn7A1 HIS 129 HE1 -0.24 -0.09 -0.22 -0.04 7.75 7.16 2bn7A1 ALA 130 H -0.26 0.27 0.15 -0.55 8.40 8.01 2bn7A1 ALA 130 HA -0.67 0.09 0.78 -0.75 4.34 3.78 2bn7A1 ALA 130 HB3 -0.95 0.01 0.19 -0.04 1.41 0.62 2bn7A1 GLN 131 H -0.43 0.38 -0.02 -0.55 8.47 7.85 2bn7A1 GLN 131 HA -0.44 -0.04 0.34 -0.75 4.36 3.47 2bn7A1 GLN 131 HB2 -0.07 0.06 0.04 -0.04 2.15 2.13 2bn7A1 GLN 131 HB3 -0.14 0.04 0.09 -0.04 2.02 1.97 2bn7A1 GLN 131 HG2 -0.06 0.03 -0.15 -0.04 2.40 2.19 2bn7A1 GLN 131 HG3 0.00 -0.10 0.03 -0.04 2.39 2.29 2bn7A1 GLN 131 HE21 0.04 0.07 -0.03 -0.04 6.97 7.01 2bn7A1 GLN 131 HE22 0.14 -0.06 -0.03 -0.04 7.69 7.70 2bn7A1 GLY 132 H -0.13 0.08 0.15 -0.55 8.43 7.98 2bn7A1 GLY 132 HA2 -0.08 0.00 0.25 -0.51 4.01 3.67 2bn7A1 GLY 132 HA3 -0.11 0.20 0.56 -0.51 4.01 4.15 2bn7A1 GLU 133 H -0.26 0.36 -0.22 -0.55 8.60 7.94 2bn7A1 GLU 133 HA -0.28 0.11 0.47 -0.75 4.29 3.84 2bn7A1 GLU 133 HB2 -0.30 0.04 0.11 -0.04 2.09 1.89 2bn7A1 GLU 133 HB3 -0.29 -0.09 0.20 -0.04 1.99 1.77 2bn7A1 GLU 133 HG2 -0.19 -0.06 0.04 -0.04 2.34 2.09 2bn7A1 GLU 133 HG3 -1.08 0.00 -0.10 -0.04 2.34 1.12 2bn7A1 TYR 134 H -0.14 0.12 0.07 -0.55 8.29 7.79 2bn7A1 TYR 134 HA 0.02 0.30 0.88 -0.75 4.56 5.00 2bn7A1 TYR 134 HB2 -0.23 -0.11 0.10 -0.04 3.06 2.77 2bn7A1 TYR 134 HB3 0.16 -0.09 0.07 -0.04 2.98 3.08 2bn7A1 TYR 134 HD2 0.10 -0.03 0.04 -0.04 7.15 7.22 2bn7A1 TYR 134 HE2 0.15 0.07 -0.05 -0.04 6.85 6.98 2bn7A1 ALA 135 H 0.16 0.30 0.14 -0.55 8.40 8.45 2bn7A1 ALA 135 HA 0.02 0.09 0.43 -0.75 4.34 4.13 2bn7A1 ALA 135 HB3 0.06 0.06 0.09 -0.04 1.41 1.58 2bn7A1 TYR 136 H 0.28 0.13 -0.10 -0.55 8.29 8.05 2bn7A1 TYR 136 HA 0.01 0.14 0.44 -0.75 4.56 4.39 2bn7A1 TYR 136 HB2 0.05 0.06 0.07 -0.04 3.06 3.20 2bn7A1 TYR 136 HB3 0.02 0.03 0.10 -0.04 2.98 3.09 2bn7A1 TYR 136 HD2 0.09 -0.03 -0.06 -0.04 7.15 7.10 2bn7A1 TYR 136 HE2 0.02 0.07 -0.04 -0.04 6.85 6.86 2bn7A1 ALA 137 H -0.65 0.08 -0.30 -0.55 8.40 6.98 2bn7A1 ALA 137 HA -1.14 0.10 0.47 -0.75 4.34 3.01 2bn7A1 ALA 137 HB3 -1.20 0.04 0.06 -0.04 1.41 0.27 2bn7A1 ASP 138 H -0.16 0.41 -0.11 -0.55 8.40 7.99 2bn7A1 ASP 138 HA 0.01 0.02 0.42 -0.75 4.63 4.34 2bn7A1 ASP 138 HB2 -0.02 0.12 0.14 -0.04 2.71 2.90 2bn7A1 ASP 138 HB3 0.00 0.04 0.00 -0.04 2.70 2.71 2bn7A1 VAL 139 H -0.05 0.44 -0.22 -0.55 8.24 7.86 2bn7A1 VAL 139 HA -0.02 0.05 0.42 -0.75 4.13 3.83 2bn7A1 VAL 139 HB 0.02 0.07 0.15 -0.04 2.12 2.32 2bn7A1 VAL 139 HG13 0.01 -0.00 -0.11 -0.04 0.97 0.83 2bn7A1 VAL 139 HG23 0.01 0.06 0.05 -0.04 0.95 1.03 2bn7A1 ILE 140 H -0.07 0.42 -0.18 -0.55 8.25 7.88 2bn7A1 ILE 140 HA -0.02 0.02 0.35 -0.75 4.18 3.78 2bn7A1 ILE 140 HB -0.02 0.10 0.16 -0.04 1.89 2.08 2bn7A1 ILE 140 HG12 -0.01 -0.06 -0.01 -0.04 1.49 1.36 2bn7A1 ILE 140 HG13 0.06 0.07 0.07 -0.04 1.21 1.38 2bn7A1 ILE 140 HG23 0.07 -0.01 -0.21 -0.04 0.93 0.73 2bn7A1 ILE 140 HD13 0.26 -0.02 -0.08 -0.04 0.88 1.00 2bn7A1 VAL 141 H -0.13 0.54 -0.14 -0.55 8.24 7.95 2bn7A1 VAL 141 HA -0.04 0.05 0.34 -0.75 4.13 3.72 2bn7A1 VAL 141 HB -0.37 0.01 0.10 -0.04 2.12 1.82 2bn7A1 VAL 141 HG13 -0.25 0.00 -0.14 -0.04 0.97 0.54 2bn7A1 VAL 141 HG23 -0.37 0.03 -0.03 -0.04 0.95 0.55 2bn7A1 ASN 142 H -0.07 0.61 -0.08 -0.55 8.53 8.44 2bn7A1 ASN 142 HA -0.03 0.03 0.36 -0.75 4.76 4.37 2bn7A1 ASN 142 HB2 -0.02 0.11 0.13 -0.04 2.88 3.06 2bn7A1 ASN 142 HB3 -0.02 -0.03 0.00 -0.04 2.79 2.70 2bn7A1 ASN 142 HD21 0.00 -0.09 -0.02 -0.04 7.03 6.88 2bn7A1 ASN 142 HD22 -0.01 -0.01 -0.08 -0.04 7.74 7.60 2bn7A1 SER 143 H -0.03 0.49 -0.26 -0.55 8.46 8.11 2bn7A1 SER 143 HA -0.03 0.02 0.45 -0.75 4.49 4.17 2bn7A1 SER 143 HB2 -0.02 0.09 0.12 -0.04 3.95 4.10 2bn7A1 SER 143 HB3 -0.02 0.07 0.12 -0.04 3.93 4.07 2bn7A1 ALA 144 H -0.01 0.46 -0.18 -0.55 8.40 8.13 2bn7A1 ALA 144 HA 0.04 0.01 0.46 -0.75 4.34 4.09 2bn7A1 ALA 144 HB3 0.05 0.04 0.02 -0.04 1.41 1.48 2bn7A1 LEU 145 H -0.00 0.48 -0.15 -0.55 8.37 8.14 2bn7A1 LEU 145 HA 0.02 0.06 0.43 -0.75 4.35 4.11 2bn7A1 LEU 145 HB2 -0.01 0.04 0.10 -0.04 1.64 1.73 2bn7A1 LEU 145 HB3 -0.00 0.00 -0.02 -0.04 1.64 1.59 2bn7A1 LEU 145 HG -0.01 0.14 0.03 -0.04 1.64 1.76 2bn7A1 LEU 145 HD13 -0.00 -0.02 -0.09 -0.04 0.93 0.77 2bn7A1 LEU 145 HD23 0.02 0.01 -0.04 -0.04 0.89 0.83 2bn7A1 GLU 146 H -0.02 0.59 -0.12 -0.55 8.60 8.50 2bn7A1 GLU 146 HA -0.02 0.02 0.56 -0.75 4.29 4.10 2bn7A1 GLU 146 HB2 -0.03 0.12 0.17 -0.04 2.09 2.31 2bn7A1 GLU 146 HB3 -0.03 -0.04 -0.06 -0.04 1.99 1.82 2bn7A1 GLU 146 HG2 -0.02 0.06 0.04 -0.04 2.34 2.39 2bn7A1 GLU 146 HG3 -0.02 -0.05 -0.01 -0.04 2.34 2.23 2bn7A1 LYS 147 H -0.06 0.51 -0.16 -0.55 8.42 8.16 2bn7A1 LYS 147 HA -0.12 -0.00 0.40 -0.75 4.32 3.85 2bn7A1 LYS 147 HB2 -0.17 0.14 0.15 -0.04 1.87 1.95 2bn7A1 LYS 147 HB3 -0.42 -0.02 -0.08 -0.04 1.79 1.22 2bn7A1 LYS 147 HG2 -0.23 -0.05 0.02 -0.04 1.46 1.16 2bn7A1 LYS 147 HG3 -0.14 0.08 0.05 -0.04 1.46 1.41 2bn7A1 LYS 147 HD2 -0.29 -0.02 -0.00 -0.04 1.69 1.33 2bn7A1 LYS 147 HD3 -0.73 -0.01 -0.02 -0.04 1.68 0.88 2bn7A1 LYS 147 HE2 -0.14 -0.04 -0.03 -0.04 2.99 2.74 2bn7A1 LYS 147 HE3 -0.10 -0.03 -0.06 -0.04 2.99 2.77 2bn7A1 LEU 148 H -0.01 0.41 -0.30 -0.55 8.37 7.93 2bn7A1 LEU 148 HA 0.03 0.03 0.24 -0.75 4.35 3.89 2bn7A1 LEU 148 HB2 0.03 0.08 0.01 -0.04 1.64 1.72 2bn7A1 LEU 148 HB3 0.04 -0.07 -0.63 -0.04 1.64 0.94 2bn7A1 LEU 148 HG 0.12 0.09 0.01 -0.04 1.64 1.81 2bn7A1 LEU 148 HD13 0.07 0.02 -0.15 -0.04 0.93 0.83 2bn7A1 LEU 148 HD23 0.17 0.04 -0.10 -0.04 0.89 0.96 2bn7A1 ARG 149 H -0.01 0.58 -0.12 -0.55 8.46 8.37 2bn7A1 ARG 149 HA -0.00 -0.00 0.42 -0.75 4.34 4.00 2bn7A1 ARG 149 HB2 -0.01 0.06 0.19 -0.04 1.90 2.10 2bn7A1 ARG 149 HB3 -0.01 -0.05 -0.02 -0.04 1.80 1.68 2bn7A1 ARG 149 HG2 -0.00 -0.04 0.03 -0.04 1.67 1.62 2bn7A1 ARG 149 HG3 -0.00 0.05 0.04 -0.04 1.67 1.72 2bn7A1 ARG 149 HD2 -0.01 -0.03 -0.06 -0.04 3.22 3.08 2bn7A1 ARG 149 HD3 -0.01 -0.05 -0.02 -0.04 3.22 3.10 2bn7A1 LYS 150 H -0.03 0.59 -0.21 -0.55 8.42 8.22 2bn7A1 LYS 150 HA -0.02 0.05 0.49 -0.75 4.32 4.10 2bn7A1 LYS 150 HB2 -0.04 0.15 0.08 -0.04 1.87 2.02 2bn7A1 LYS 150 HB3 -0.03 -0.08 0.12 -0.04 1.79 1.76 2bn7A1 LYS 150 HG2 -0.02 -0.04 0.01 -0.04 1.46 1.37 2bn7A1 LYS 150 HG3 -0.02 -0.02 -0.02 -0.04 1.46 1.36 2bn7A1 LYS 150 HD2 -0.03 0.03 -0.05 -0.04 1.69 1.60 2bn7A1 LYS 150 HD3 -0.03 -0.04 -0.01 -0.04 1.68 1.56 2bn7A1 LYS 150 HE2 -0.02 -0.02 -0.01 -0.04 2.99 2.90 2bn7A1 LYS 150 HE3 -0.02 0.00 -0.01 -0.04 2.99 2.92 2bn7A1 GLY 151 H -0.02 0.38 -0.69 -0.55 8.43 7.56 2bn7A1 GLY 151 HA2 -0.02 0.05 0.61 -0.51 4.01 4.14 2bn7A1 GLY 151 HA3 -0.02 0.11 0.31 -0.51 4.01 3.89 2bn7A1 SER 152 H -0.00 0.26 -0.25 -0.55 8.46 7.92 2bn7A1 SER 152 HA 0.01 0.24 0.49 -0.75 4.49 4.47 2bn7A1 SER 152 HB2 0.00 -0.01 0.11 -0.04 3.95 4.01 2bn7A1 SER 152 HB3 0.00 0.15 0.13 -0.04 3.93 4.17 2bn7A1 ARG 153 H -0.00 0.15 -0.15 -0.55 8.46 7.90 2bn7A1 ARG 153 HA 0.00 0.15 0.67 -0.75 4.34 4.41 2bn7A1 ARG 153 HB2 -0.00 0.02 0.03 -0.04 1.90 1.90 2bn7A1 ARG 153 HB3 0.00 0.01 0.09 -0.04 1.80 1.87 2bn7A1 ARG 153 HG2 -0.00 0.03 0.02 -0.04 1.67 1.68 2bn7A1 ARG 153 HG3 -0.00 -0.04 0.01 -0.04 1.67 1.60 2bn7A1 ARG 153 HD2 -0.00 0.00 0.02 -0.04 3.22 3.19 2bn7A1 ARG 153 HD3 -0.00 0.02 0.02 -0.04 3.22 3.21 2bn7A1 GLN 154 H 0.01 0.19 -0.37 -0.55 8.47 7.75 2bn7A1 GLN 154 HA 0.02 0.15 0.71 -0.75 4.36 4.48 2bn7A1 GLN 154 HB2 0.02 0.10 0.07 -0.04 2.15 2.30 2bn7A1 GLN 154 HB3 0.03 -0.00 0.13 -0.04 2.02 2.14 2bn7A1 GLN 154 HG2 0.01 -0.01 -0.01 -0.04 2.40 2.35 2bn7A1 GLN 154 HG3 0.01 0.03 -0.04 -0.04 2.39 2.35 2bn7A1 GLN 154 HE21 -0.00 -0.01 -0.10 -0.04 6.97 6.81 2bn7A1 GLN 154 HE22 0.00 0.07 -0.21 -0.04 7.69 7.51 2bn7A1 ASN 155 H 0.01 0.22 -0.60 -0.55 8.53 7.61 2bn7A1 ASN 155 HA 0.01 0.10 0.29 -0.75 4.76 4.41 2bn7A1 ASN 155 HB2 0.02 0.11 -0.01 -0.04 2.88 2.97 2bn7A1 ASN 155 HB3 0.01 -0.04 0.14 -0.04 2.79 2.86 2bn7A1 ASN 155 HD21 0.01 -0.03 -0.10 -0.04 7.03 6.87 2bn7A1 ASN 155 HD22 0.01 0.02 -0.18 -0.04 7.74 7.55 2bn7A1 LEU 156 H 0.02 0.41 -0.09 -0.55 8.37 8.17 2bn7A1 LEU 156 HA 0.05 0.13 0.82 -0.75 4.35 4.59 2bn7A1 LEU 156 HB2 0.03 -0.01 -0.04 -0.04 1.64 1.57 2bn7A1 LEU 156 HB3 0.08 -0.07 -0.03 -0.04 1.64 1.58 2bn7A1 LEU 156 HG 0.06 0.04 -0.24 -0.04 1.64 1.45 2bn7A1 LEU 156 HD13 0.07 -0.04 -0.10 -0.04 0.93 0.82 2bn7A1 LEU 156 HD23 0.13 0.02 -0.13 -0.04 0.89 0.87 2bn7A1 THR 157 H 0.04 0.18 0.16 -0.55 8.28 8.11 2bn7A1 THR 157 HA 0.02 0.20 0.60 -0.75 4.39 4.46 2bn7A1 THR 157 HB 0.01 0.08 -0.01 -0.04 4.32 4.37 2bn7A1 THR 157 HG23 0.01 -0.00 -0.20 -0.04 1.22 0.99 2bn7A1 ALA 158 H 0.01 0.14 -0.05 -0.55 8.40 7.96 2bn7A1 ALA 158 HA 0.03 0.17 0.72 -0.75 4.34 4.50 2bn7A1 ALA 158 HB3 0.01 -0.00 -0.03 -0.04 1.41 1.35 2bn7A1 PRO 159 HA 0.00 0.18 0.66 -0.51 4.44 4.77 2bn7A1 PRO 159 HB2 -0.01 0.00 -0.35 -0.04 2.28 1.88 2bn7A1 PRO 159 HB3 0.00 -0.02 -0.73 -0.04 2.02 1.23 2bn7A1 PRO 159 HG2 0.01 -0.09 -0.04 -0.04 2.03 1.88 2bn7A1 PRO 159 HG3 0.02 0.04 -0.13 -0.04 2.03 1.92 2bn7A1 PRO 159 HD2 0.02 -0.06 0.15 -0.04 3.68 3.75 2bn7A1 PRO 159 HD3 0.03 0.40 0.12 -0.04 3.65 4.15 2bn7A1 ALA 160 H -0.00 0.20 0.23 -0.55 8.40 8.29 2bn7A1 ALA 160 HA -0.01 0.07 0.45 -0.75 4.34 4.10 2bn7A1 ALA 160 HB3 -0.01 -0.00 0.12 -0.04 1.41 1.48 2bn7A1 THR 161 H -0.02 0.37 -0.03 -0.55 8.28 8.04 2bn7A1 THR 161 HA -0.03 0.09 0.82 -0.75 4.39 4.51 2bn7A1 THR 161 HB -0.06 0.13 0.19 -0.04 4.32 4.55 2bn7A1 THR 161 HG23 -0.07 -0.02 -0.13 -0.04 1.22 0.95 2bn7A1 MET 162 H -0.04 0.21 0.21 -0.55 8.47 8.31 2bn7A1 MET 162 HA -0.06 0.37 1.04 -0.75 4.52 5.11 2bn7A1 MET 162 HB2 0.00 0.06 -0.01 -0.04 2.15 2.16 2bn7A1 MET 162 HB3 -0.01 -0.04 0.12 -0.04 2.03 2.06 2bn7A1 MET 162 HG2 0.03 -0.03 -0.15 -0.04 2.63 2.43 2bn7A1 MET 162 HG3 0.08 0.07 0.04 -0.04 2.56 2.71 2bn7A1 MET 162 HE3 0.05 0.01 -0.08 -0.04 2.10 2.05 2bn7A1 ILE 163 H -0.11 0.61 0.42 -0.55 8.25 8.62 2bn7A1 ILE 163 HA -0.03 0.17 1.03 -0.75 4.18 4.59 2bn7A1 ILE 163 HB -0.37 -0.03 -0.02 -0.04 1.89 1.44 2bn7A1 ILE 163 HG12 -0.06 0.07 -0.14 -0.04 1.49 1.32 2bn7A1 ILE 163 HG13 -0.21 -0.07 -0.51 -0.04 1.21 0.39 2bn7A1 ILE 163 HG23 0.16 0.02 -0.13 -0.04 0.93 0.94 2bn7A1 ILE 163 HD13 -0.11 0.01 -0.10 -0.04 0.88 0.64 2bn7A1 ASP 164 H -0.03 0.20 0.19 -0.55 8.40 8.21 2bn7A1 ASP 164 HA -0.24 0.16 0.69 -0.75 4.63 4.49 2bn7A1 ASP 164 HB2 -0.13 0.08 0.22 -0.04 2.71 2.84 2bn7A1 ASP 164 HB3 -0.09 0.04 0.24 -0.04 2.70 2.85 2bn7A1 TRP 165 H -0.43 0.14 0.04 -0.55 7.97 7.17 2bn7A1 TRP 165 HA 0.09 0.21 0.57 -0.75 4.62 4.74 2bn7A1 TRP 165 HB2 0.01 0.02 0.06 -0.04 3.23 3.28 2bn7A1 TRP 165 HB3 0.09 0.09 0.01 -0.04 3.23 3.38 2bn7A1 TRP 165 HD1 0.21 -0.01 -0.40 -0.04 7.22 6.98 2bn7A1 TRP 165 HE1 0.22 0.38 0.12 -0.04 10.20 10.88 2bn7A1 TRP 165 HE3 0.02 -0.05 -0.57 -0.04 7.59 6.94 2bn7A1 TRP 165 HZ2 0.24 -0.03 0.15 -0.04 7.44 7.76 2bn7A1 TRP 165 HZ3 0.12 -0.01 -0.07 -0.04 7.13 7.13 2bn7A1 TRP 165 HH2 0.22 -0.05 -0.01 -0.04 7.19 7.31 2bn7A1 ARG 166 H -0.43 0.05 -0.28 -0.55 8.46 7.24 2bn7A1 ARG 166 HA -0.09 0.04 0.30 -0.75 4.34 3.83 2bn7A1 ARG 166 HB2 -0.36 0.06 0.07 -0.04 1.90 1.62 2bn7A1 ARG 166 HB3 -0.59 0.04 -0.04 -0.04 1.80 1.16 2bn7A1 ARG 166 HG2 -0.43 0.01 0.02 -0.04 1.67 1.22 2bn7A1 ARG 166 HG3 -1.30 -0.10 0.04 -0.04 1.67 0.27 2bn7A1 ARG 166 HD2 -0.13 0.06 -0.01 -0.04 3.22 3.09 2bn7A1 ARG 166 HD3 -0.36 -0.01 0.02 -0.04 3.22 2.83 2bn7A1 PRO 167 HA 0.02 0.03 0.49 -0.51 4.44 4.47 2bn7A1 PRO 167 HB2 0.04 0.08 0.02 -0.04 2.28 2.38 2bn7A1 PRO 167 HB3 0.04 0.05 0.05 -0.04 2.02 2.11 2bn7A1 PRO 167 HG2 -0.00 0.11 0.06 -0.04 2.03 2.15 2bn7A1 PRO 167 HG3 -0.01 0.03 0.05 -0.04 2.03 2.05 2bn7A1 PRO 167 HD2 -0.05 0.31 -0.20 -0.04 3.68 3.71 2bn7A1 PRO 167 HD3 -0.14 0.02 0.04 -0.04 3.65 3.53 2bn7A1 VAL 168 H 0.09 0.18 -0.32 -0.55 8.24 7.65 2bn7A1 VAL 168 HA 0.08 0.08 0.40 -0.75 4.13 3.94 2bn7A1 VAL 168 HB 0.15 0.04 0.11 -0.04 2.12 2.38 2bn7A1 VAL 168 HG13 0.07 0.02 -0.15 -0.04 0.97 0.87 2bn7A1 VAL 168 HG23 0.08 0.01 -0.01 -0.04 0.95 0.99 2bn7A1 VAL 169 H 0.21 0.52 -0.01 -0.55 8.24 8.41 2bn7A1 VAL 169 HA 0.22 0.11 0.41 -0.75 4.13 4.12 2bn7A1 VAL 169 HB 0.43 -0.05 0.07 -0.04 2.12 2.53 2bn7A1 VAL 169 HG13 0.25 -0.01 -0.10 -0.04 0.97 1.07 2bn7A1 VAL 169 HG23 0.28 0.04 -0.02 -0.04 0.95 1.20 2bn7A1 HIS 170 H 0.04 0.75 -0.06 -0.55 8.41 8.60 2bn7A1 HIS 170 HA -0.05 0.02 0.43 -0.75 4.63 4.28 2bn7A1 HIS 170 HB2 0.04 0.10 0.07 -0.04 3.26 3.43 2bn7A1 HIS 170 HB3 -0.01 -0.12 -0.05 -0.04 3.20 2.98 2bn7A1 HIS 170 HD2 0.09 0.00 -0.19 -0.04 6.97 6.83 2bn7A1 HIS 170 HE1 0.01 0.01 -0.03 -0.04 7.75 7.69 2bn7A1 GLU 171 H 0.10 0.45 -0.25 -0.55 8.60 8.36 2bn7A1 GLU 171 HA 0.03 -0.00 0.56 -0.75 4.29 4.12 2bn7A1 GLU 171 HB2 0.07 -0.03 0.14 -0.04 2.09 2.23 2bn7A1 GLU 171 HB3 0.08 0.17 0.15 -0.04 1.99 2.35 2bn7A1 GLU 171 HG2 0.06 -0.02 -0.01 -0.04 2.34 2.32 2bn7A1 GLU 171 HG3 0.09 0.05 -0.16 -0.04 2.34 2.28 2bn7A1 MET 172 H 0.09 0.35 -0.21 -0.55 8.47 8.15 2bn7A1 MET 172 HA 0.12 0.07 0.56 -0.75 4.52 4.52 2bn7A1 MET 172 HB2 0.12 0.13 0.20 -0.04 2.15 2.56 2bn7A1 MET 172 HB3 0.22 -0.03 0.00 -0.04 2.03 2.18 2bn7A1 MET 172 HG2 0.11 -0.02 0.00 -0.04 2.63 2.68 2bn7A1 MET 172 HG3 0.11 0.17 0.07 -0.04 2.56 2.88 2bn7A1 MET 172 HE3 0.26 0.04 -0.02 -0.04 2.10 2.34 2bn7A1 ARG 173 H -0.08 0.46 -0.08 -0.55 8.46 8.21 2bn7A1 ARG 173 HA -0.18 0.03 0.31 -0.75 4.34 3.75 2bn7A1 ARG 173 HB2 -0.16 0.01 0.09 -0.04 1.90 1.79 2bn7A1 ARG 173 HB3 -0.21 -0.08 -0.02 -0.04 1.80 1.45 2bn7A1 ARG 173 HG2 -1.15 -0.01 0.01 -0.04 1.67 0.47 2bn7A1 ARG 173 HG3 -1.02 0.11 0.01 -0.04 1.67 0.73 2bn7A1 ARG 173 HD2 -0.40 -0.02 -0.11 -0.04 3.22 2.65 2bn7A1 ARG 173 HD3 -0.07 -0.05 -0.14 -0.04 3.22 2.92 2bn7A1 LEU 174 H -0.10 0.20 -0.62 -0.55 8.37 7.31 2bn7A1 LEU 174 HA -0.45 0.04 0.44 -0.75 4.35 3.63 2bn7A1 LEU 174 HB2 -0.40 -0.01 0.14 -0.04 1.64 1.32 2bn7A1 LEU 174 HB3 -0.23 0.21 0.07 -0.04 1.64 1.65 2bn7A1 LEU 174 HG -1.25 0.00 -0.11 -0.04 1.64 0.24 2bn7A1 LEU 174 HD13 -1.97 -0.01 0.08 -0.04 0.93 -1.01 2bn7A1 LEU 174 HD23 -0.47 -0.05 0.01 -0.04 0.89 0.35 2bn7A1 PHE 175 H 0.10 0.41 -0.37 -0.55 8.34 7.93 2bn7A1 PHE 175 HA -0.10 0.15 0.69 -0.75 4.62 4.60 2bn7A1 PHE 175 HB2 -0.04 0.05 0.15 -0.04 3.15 3.27 2bn7A1 PHE 175 HB3 -0.04 -0.02 -0.03 -0.04 3.06 2.92 2bn7A1 PHE 175 HD2 -0.08 0.21 0.00 -0.04 7.28 7.37 2bn7A1 PHE 175 HE2 -0.08 -0.04 -0.07 -0.04 7.38 7.15 2bn7A1 PHE 175 HZ -0.07 -0.04 -0.05 -0.04 7.32 7.12 2bn7A1 LYS 176 H 0.00 0.65 0.22 -0.55 8.42 8.73 2bn7A1 LYS 176 HA 0.08 0.02 0.55 -0.75 4.32 4.22 2bn7A1 LYS 176 HB2 -0.00 0.14 0.16 -0.04 1.87 2.13 2bn7A1 LYS 176 HB3 -0.01 -0.09 -0.03 -0.04 1.79 1.62 2bn7A1 LYS 176 HG2 0.02 -0.03 -0.03 -0.04 1.46 1.38 2bn7A1 LYS 176 HG3 0.08 -0.11 0.01 -0.04 1.46 1.39 2bn7A1 LYS 176 HD2 0.00 0.08 -0.27 -0.04 1.69 1.46 2bn7A1 LYS 176 HD3 -0.05 0.13 0.09 -0.04 1.68 1.81 2bn7A1 LYS 176 HE2 0.07 0.07 0.20 -0.04 2.99 3.29 2bn7A1 LYS 176 HE3 0.14 -0.22 0.11 -0.04 2.99 2.98 2bn7A1 SER 177 H 0.03 0.05 0.21 -0.55 8.46 8.21 2bn7A1 SER 177 HA 0.01 0.24 0.63 -0.75 4.49 4.61 2bn7A1 SER 177 HB2 -0.03 0.01 0.19 -0.04 3.95 4.08 2bn7A1 SER 177 HB3 -0.01 0.16 0.15 -0.04 3.93 4.19 2bn7A1 PRO 178 HA -0.02 0.13 0.54 -0.51 4.44 4.57 2bn7A1 PRO 178 HB2 -0.03 -0.01 0.06 -0.04 2.28 2.27 2bn7A1 PRO 178 HB3 -0.02 0.07 0.09 -0.04 2.02 2.12 2bn7A1 PRO 178 HG2 -0.02 0.06 0.10 -0.04 2.03 2.13 2bn7A1 PRO 178 HG3 -0.01 0.09 0.09 -0.04 2.03 2.17 2bn7A1 PRO 178 HD2 -0.02 0.06 0.24 -0.04 3.68 3.92 2bn7A1 PRO 178 HD3 -0.01 0.24 0.21 -0.04 3.65 4.05 2bn7A1 GLU 179 H -0.05 0.13 -0.11 -0.55 8.60 8.02 2bn7A1 GLU 179 HA -0.05 0.12 0.45 -0.75 4.29 4.06 2bn7A1 GLU 179 HB2 -0.10 -0.05 0.12 -0.04 2.09 2.02 2bn7A1 GLU 179 HB3 -0.10 0.10 -0.00 -0.04 1.99 1.94 2bn7A1 GLU 179 HG2 -0.06 0.09 0.10 -0.04 2.34 2.44 2bn7A1 GLU 179 HG3 -0.06 -0.02 0.09 -0.04 2.34 2.30 2bn7A1 GLU 180 H -0.09 0.05 -0.22 -0.55 8.60 7.79 2bn7A1 GLU 180 HA -0.38 0.08 0.38 -0.75 4.29 3.62 2bn7A1 GLU 180 HB2 -0.06 0.06 0.14 -0.04 2.09 2.20 2bn7A1 GLU 180 HB3 -0.19 0.08 0.01 -0.04 1.99 1.84 2bn7A1 GLU 180 HG2 -0.00 0.05 0.02 -0.04 2.34 2.36 2bn7A1 GLU 180 HG3 -0.04 -0.11 0.07 -0.04 2.34 2.22 2bn7A1 ILE 181 H -0.07 0.53 -0.22 -0.55 8.25 7.94 2bn7A1 ILE 181 HA -0.06 0.05 0.38 -0.75 4.18 3.80 2bn7A1 ILE 181 HB -0.03 0.04 0.12 -0.04 1.89 1.98 2bn7A1 ILE 181 HG12 -0.01 -0.01 -0.03 -0.04 1.49 1.39 2bn7A1 ILE 181 HG13 -0.02 0.00 -0.09 -0.04 1.21 1.05 2bn7A1 ILE 181 HG23 -0.01 -0.01 -0.13 -0.04 0.93 0.74 2bn7A1 ILE 181 HD13 0.00 -0.01 -0.15 -0.04 0.88 0.68 2bn7A1 ALA 182 H -0.05 0.49 -0.25 -0.55 8.40 8.03 2bn7A1 ALA 182 HA -0.02 0.02 0.46 -0.75 4.34 4.05 2bn7A1 ALA 182 HB3 -0.02 0.03 0.11 -0.04 1.41 1.49 2bn7A1 VAL 183 H -0.09 0.40 -0.22 -0.55 8.24 7.79 2bn7A1 VAL 183 HA 0.14 0.10 0.38 -0.75 4.13 3.99 2bn7A1 VAL 183 HB -0.33 0.05 0.10 -0.04 2.12 1.90 2bn7A1 VAL 183 HG13 0.16 0.00 -0.19 -0.04 0.97 0.91 2bn7A1 VAL 183 HG23 -0.01 0.05 -0.24 -0.04 0.95 0.71 2bn7A1 LEU 184 H -0.14 0.69 -0.05 -0.55 8.37 8.32 2bn7A1 LEU 184 HA 0.06 0.01 0.35 -0.75 4.35 4.02 2bn7A1 LEU 184 HB2 -0.05 0.08 0.08 -0.04 1.64 1.71 2bn7A1 LEU 184 HB3 0.02 -0.03 -0.09 -0.04 1.64 1.50 2bn7A1 LEU 184 HG -0.12 -0.04 -0.05 -0.04 1.64 1.39 2bn7A1 LEU 184 HD13 0.03 -0.01 -0.11 -0.04 0.93 0.79 2bn7A1 LEU 184 HD23 0.18 -0.03 -0.12 -0.04 0.89 0.87 2bn7A1 ARG 185 H -0.02 0.50 -0.38 -0.55 8.46 8.01 2bn7A1 ARG 185 HA -0.01 -0.01 0.52 -0.75 4.34 4.09 2bn7A1 ARG 185 HB2 -0.01 0.14 0.14 -0.04 1.90 2.13 2bn7A1 ARG 185 HB3 -0.01 0.17 0.16 -0.04 1.80 2.08 2bn7A1 ARG 185 HG2 -0.02 -0.02 -0.07 -0.04 1.67 1.52 2bn7A1 ARG 185 HG3 -0.01 -0.05 0.05 -0.04 1.67 1.63 2bn7A1 ARG 185 HD2 -0.01 0.02 0.00 -0.04 3.22 3.19 2bn7A1 ARG 185 HD3 -0.01 -0.04 -0.02 -0.04 3.22 3.12 2bn7A1 ARG 186 H -0.01 0.47 -0.19 -0.55 8.46 8.17 2bn7A1 ARG 186 HA -0.12 -0.01 0.53 -0.75 4.34 3.99 2bn7A1 ARG 186 HB2 -0.04 0.03 0.13 -0.04 1.90 1.98 2bn7A1 ARG 186 HB3 -0.06 0.16 0.17 -0.04 1.80 2.02 2bn7A1 ARG 186 HG2 -0.28 0.12 0.02 -0.04 1.67 1.48 2bn7A1 ARG 186 HG3 -0.97 -0.03 -0.16 -0.04 1.67 0.47 2bn7A1 ARG 186 HD2 -0.24 -0.15 0.13 -0.04 3.22 2.93 2bn7A1 ARG 186 HD3 -0.13 -0.01 0.05 -0.04 3.22 3.09 2bn7A1 ALA 187 H -0.00 0.64 -0.04 -0.55 8.40 8.45 2bn7A1 ALA 187 HA -0.13 -0.01 0.43 -0.75 4.34 3.88 2bn7A1 ALA 187 HB3 0.10 0.03 -0.09 -0.04 1.41 1.41 2bn7A1 GLY 188 H -0.01 0.61 -0.31 -0.55 8.43 8.18 2bn7A1 GLY 188 HA2 0.02 -0.12 0.45 -0.51 4.01 3.86 2bn7A1 GLY 188 HA3 0.01 0.18 0.29 -0.51 4.01 3.97 2bn7A1 GLU 189 H -0.06 0.52 -0.05 -0.55 8.60 8.47 2bn7A1 GLU 189 HA -0.03 -0.02 0.53 -0.75 4.29 4.02 2bn7A1 GLU 189 HB2 -0.12 0.15 0.21 -0.04 2.09 2.29 2bn7A1 GLU 189 HB3 -0.10 -0.06 -0.02 -0.04 1.99 1.77 2bn7A1 GLU 189 HG2 -0.04 -0.09 0.07 -0.04 2.34 2.23 2bn7A1 GLU 189 HG3 -0.04 0.22 0.14 -0.04 2.34 2.62 2bn7A1 ILE 190 H -0.14 0.69 -0.07 -0.55 8.25 8.19 2bn7A1 ILE 190 HA -0.20 0.04 0.44 -0.75 4.18 3.70 2bn7A1 ILE 190 HB -0.14 0.06 0.15 -0.04 1.89 1.92 2bn7A1 ILE 190 HG12 -0.28 -0.04 0.03 -0.04 1.49 1.16 2bn7A1 ILE 190 HG13 -0.31 0.12 0.06 -0.04 1.21 1.04 2bn7A1 ILE 190 HG23 0.13 -0.01 -0.15 -0.04 0.93 0.87 2bn7A1 ILE 190 HD13 -0.43 -0.00 -0.13 -0.04 0.88 0.27 2bn7A1 THR 191 H 0.01 0.60 -0.13 -0.55 8.28 8.22 2bn7A1 THR 191 HA 0.45 -0.00 0.38 -0.75 4.39 4.46 2bn7A1 THR 191 HB 0.10 0.12 0.18 -0.04 4.32 4.68 2bn7A1 THR 191 HG23 0.34 -0.05 0.00 -0.04 1.22 1.47 2bn7A1 ALA 192 H 0.08 0.56 -0.23 -0.55 8.40 8.27 2bn7A1 ALA 192 HA 0.14 0.01 0.45 -0.75 4.34 4.18 2bn7A1 ALA 192 HB3 0.04 0.02 0.01 -0.04 1.41 1.45 2bn7A1 MET 193 H 0.06 0.65 -0.14 -0.55 8.47 8.50 2bn7A1 MET 193 HA 0.07 0.00 0.46 -0.75 4.52 4.29 2bn7A1 MET 193 HB2 0.04 0.17 0.15 -0.04 2.15 2.47 2bn7A1 MET 193 HB3 0.14 -0.05 -0.01 -0.04 2.03 2.06 2bn7A1 MET 193 HG2 0.03 -0.06 0.04 -0.04 2.63 2.59 2bn7A1 MET 193 HG3 -0.03 0.12 0.06 -0.04 2.56 2.67 2bn7A1 MET 193 HE3 -0.58 0.01 -0.14 -0.04 2.10 1.34 2bn7A1 ALA 194 H 0.21 0.43 -0.37 -0.55 8.40 8.13 2bn7A1 ALA 194 HA 0.06 0.03 0.46 -0.75 4.34 4.13 2bn7A1 ALA 194 HB3 0.11 0.03 0.08 -0.04 1.41 1.59 2bn7A1 HIS 195 H 0.29 0.47 -0.10 -0.55 8.41 8.52 2bn7A1 HIS 195 HA 0.07 0.01 0.50 -0.75 4.63 4.46 2bn7A1 HIS 195 HB2 0.09 0.10 0.16 -0.04 3.26 3.57 2bn7A1 HIS 195 HB3 0.09 -0.02 -0.05 -0.04 3.20 3.17 2bn7A1 HIS 195 HD2 0.21 0.30 0.01 -0.04 6.97 7.44 2bn7A1 HIS 195 HE1 0.19 0.21 -0.13 -0.04 7.75 7.98 2bn7A1 THR 196 H 0.11 0.62 -0.10 -0.55 8.28 8.36 2bn7A1 THR 196 HA -0.02 -0.00 0.52 -0.75 4.39 4.14 2bn7A1 THR 196 HB 0.04 0.15 0.16 -0.04 4.32 4.63 2bn7A1 THR 196 HG23 -0.00 -0.02 -0.08 -0.04 1.22 1.08 2bn7A1 ARG 197 H 0.03 0.47 -0.25 -0.55 8.46 8.15 2bn7A1 ARG 197 HA -0.01 0.02 0.36 -0.75 4.34 3.95 2bn7A1 ARG 197 HB2 0.03 0.08 0.11 -0.04 1.90 2.08 2bn7A1 ARG 197 HB3 0.00 0.14 0.12 -0.04 1.80 2.02 2bn7A1 ARG 197 HG2 -0.02 -0.05 -0.28 -0.04 1.67 1.28 2bn7A1 ARG 197 HG3 -0.01 -0.03 -0.01 -0.04 1.67 1.58 2bn7A1 ARG 197 HD2 0.04 -0.02 -0.03 -0.04 3.22 3.17 2bn7A1 ARG 197 HD3 0.02 0.05 -0.04 -0.04 3.22 3.21 2bn7A1 ALA 198 H -0.03 0.51 -0.18 -0.55 8.40 8.15 2bn7A1 ALA 198 HA -0.00 -0.02 0.44 -0.75 4.34 4.01 2bn7A1 ALA 198 HB3 0.02 0.02 0.06 -0.04 1.41 1.48 2bn7A1 MET 199 H -0.18 0.49 -0.24 -0.55 8.47 7.99 2bn7A1 MET 199 HA -0.77 -0.02 0.42 -0.75 4.52 3.39 2bn7A1 MET 199 HB2 -0.28 0.17 0.16 -0.04 2.15 2.16 2bn7A1 MET 199 HB3 -0.42 -0.04 -0.05 -0.04 2.03 1.48 2bn7A1 MET 199 HG2 -2.26 -0.08 -0.04 -0.04 2.63 0.21 2bn7A1 MET 199 HG3 -0.72 0.10 0.02 -0.04 2.56 1.92 2bn7A1 MET 199 HE3 -0.02 0.03 -0.13 -0.04 2.10 1.94 2bn7A1 GLU 200 H -0.10 0.45 -0.19 -0.55 8.60 8.21 2bn7A1 GLU 200 HA -0.07 0.04 0.42 -0.75 4.29 3.93 2bn7A1 GLU 200 HB2 -0.04 0.05 0.10 -0.04 2.09 2.16 2bn7A1 GLU 200 HB3 -0.03 -0.04 0.02 -0.04 1.99 1.89 2bn7A1 GLU 200 HG2 -0.04 0.02 -0.03 -0.04 2.34 2.25 2bn7A1 GLU 200 HG3 -0.06 0.13 0.00 -0.04 2.34 2.37 2bn7A1 LYS 201 H -0.04 0.33 -0.30 -0.55 8.42 7.86 2bn7A1 LYS 201 HA -0.03 0.12 0.62 -0.75 4.32 4.27 2bn7A1 LYS 201 HB2 -0.01 0.02 0.06 -0.04 1.87 1.89 2bn7A1 LYS 201 HB3 -0.02 -0.12 0.00 -0.04 1.79 1.60 2bn7A1 LYS 201 HG2 -0.03 0.12 -0.04 -0.04 1.46 1.48 2bn7A1 LYS 201 HG3 -0.03 -0.11 -0.06 -0.04 1.46 1.21 2bn7A1 LYS 201 HD2 -0.04 -0.07 -0.01 -0.04 1.69 1.53 2bn7A1 LYS 201 HD3 -0.03 0.09 -0.08 -0.04 1.68 1.62 2bn7A1 LYS 201 HE2 -0.03 0.01 -0.05 -0.04 2.99 2.88 2bn7A1 LYS 201 HE3 -0.05 -0.04 -0.04 -0.04 2.99 2.82 2bn7A1 CYS 202 H 0.02 0.33 -0.19 -0.55 8.50 8.11 2bn7A1 CYS 202 HA 0.05 -0.16 0.30 -0.75 4.58 4.01 2bn7A1 CYS 202 HB2 0.25 0.07 0.09 -0.04 2.97 3.34 2bn7A1 CYS 202 HB3 0.18 0.13 0.09 -0.04 2.97 3.33 2bn7A1 ARG 203 H 0.00 0.09 0.22 -0.55 8.46 8.23 2bn7A1 ARG 203 HA -0.01 0.24 0.58 -0.75 4.34 4.40 2bn7A1 ARG 203 HB2 -0.02 -0.13 0.01 -0.04 1.90 1.72 2bn7A1 ARG 203 HB3 -0.02 0.01 0.10 -0.04 1.80 1.85 2bn7A1 ARG 203 HG2 -0.02 0.22 -0.39 -0.04 1.67 1.44 2bn7A1 ARG 203 HG3 -0.02 -0.09 -0.03 -0.04 1.67 1.48 2bn7A1 ARG 203 HD2 -0.02 -0.12 0.06 -0.04 3.22 3.11 2bn7A1 ARG 203 HD3 -0.01 0.28 0.10 -0.04 3.22 3.54 2bn7A1 PRO 204 HA -0.06 0.08 0.47 -0.51 4.44 4.42 2bn7A1 PRO 204 HB2 -0.04 0.06 0.05 -0.04 2.28 2.31 2bn7A1 PRO 204 HB3 -0.05 -0.24 0.12 -0.04 2.02 1.82 2bn7A1 PRO 204 HG2 -0.03 0.05 0.08 -0.04 2.03 2.10 2bn7A1 PRO 204 HG3 -0.04 -0.09 -0.07 -0.04 2.03 1.79 2bn7A1 PRO 204 HD2 -0.02 0.14 0.21 -0.04 3.68 3.96 2bn7A1 PRO 204 HD3 -0.02 0.35 0.05 -0.04 3.65 3.99 2bn7A1 GLY 205 H -0.11 0.69 0.33 -0.55 8.43 8.80 2bn7A1 GLY 205 HA2 -0.11 -0.06 0.37 -0.51 4.01 3.69 2bn7A1 GLY 205 HA3 -0.04 0.14 0.68 -0.51 4.01 4.28 2bn7A1 MET 206 H -0.04 0.39 -0.33 -0.55 8.47 7.94 2bn7A1 MET 206 HA 0.16 0.07 0.74 -0.75 4.52 4.74 2bn7A1 MET 206 HB2 0.00 0.13 0.13 -0.04 2.15 2.37 2bn7A1 MET 206 HB3 0.11 -0.03 0.07 -0.04 2.03 2.14 2bn7A1 MET 206 HG2 -0.11 -0.04 0.05 -0.04 2.63 2.48 2bn7A1 MET 206 HG3 -0.03 0.04 -0.04 -0.04 2.56 2.49 2bn7A1 MET 206 HE3 -0.02 -0.03 -0.12 -0.04 2.10 1.90 2bn7A1 PHE 207 H 0.64 0.12 0.17 -0.55 8.34 8.71 2bn7A1 PHE 207 HA -0.16 0.21 0.85 -0.75 4.62 4.77 2bn7A1 PHE 207 HB2 -1.42 -0.03 0.10 -0.04 3.15 1.76 2bn7A1 PHE 207 HB3 -0.91 -0.03 -0.02 -0.04 3.06 2.07 2bn7A1 PHE 207 HD2 -0.02 0.04 -0.22 -0.04 7.28 7.04 2bn7A1 PHE 207 HE2 0.04 0.05 0.04 -0.04 7.38 7.47 2bn7A1 PHE 207 HZ 0.03 -0.00 0.02 -0.04 7.32 7.33 2bn7A1 GLU 208 H -0.03 0.59 0.14 -0.55 8.60 8.75 2bn7A1 GLU 208 HA -0.00 0.06 0.44 -0.75 4.29 4.04 2bn7A1 GLU 208 HB2 0.14 -0.12 -0.15 -0.04 2.09 1.93 2bn7A1 GLU 208 HB3 0.14 0.10 0.09 -0.04 1.99 2.27 2bn7A1 GLU 208 HG2 0.04 0.01 0.02 -0.04 2.34 2.37 2bn7A1 GLU 208 HG3 -0.01 0.12 0.04 -0.04 2.34 2.45 2bn7A1 TYR 209 H -0.10 0.24 -0.10 -0.55 8.29 7.78 2bn7A1 TYR 209 HA -0.03 0.04 0.38 -0.75 4.56 4.20 2bn7A1 TYR 209 HB2 -0.07 -0.02 0.08 -0.04 3.06 3.00 2bn7A1 TYR 209 HB3 -0.04 0.25 0.17 -0.04 2.98 3.31 2bn7A1 TYR 209 HD2 -0.12 0.11 -0.09 -0.04 7.15 7.01 2bn7A1 TYR 209 HE2 -0.41 0.03 -0.01 -0.04 6.85 6.42 2bn7A1 HIS 210 H -0.39 0.20 -0.42 -0.55 8.41 7.25 2bn7A1 HIS 210 HA 0.06 0.06 0.52 -0.75 4.63 4.52 2bn7A1 HIS 210 HB2 -0.08 0.22 0.13 -0.04 3.26 3.50 2bn7A1 HIS 210 HB3 -0.02 0.06 0.00 -0.04 3.20 3.20 2bn7A1 HIS 210 HD2 0.10 0.03 0.02 -0.04 6.97 7.07 2bn7A1 HIS 210 HE1 0.09 0.07 0.07 -0.04 7.75 7.93 2bn7A1 LEU 211 H 0.04 0.35 -0.16 -0.55 8.37 8.06 2bn7A1 LEU 211 HA 0.02 0.08 0.48 -0.75 4.35 4.18 2bn7A1 LEU 211 HB2 0.03 0.13 0.09 -0.04 1.64 1.85 2bn7A1 LEU 211 HB3 0.04 -0.01 -0.02 -0.04 1.64 1.61 2bn7A1 LEU 211 HG 0.05 0.01 -0.01 -0.04 1.64 1.64 2bn7A1 LEU 211 HD13 0.13 -0.01 -0.09 -0.04 0.93 0.92 2bn7A1 LEU 211 HD23 0.06 0.00 -0.07 -0.04 0.89 0.84 2bn7A1 GLU 212 H -0.02 0.30 -0.16 -0.55 8.60 8.18 2bn7A1 GLU 212 HA -0.26 0.02 0.48 -0.75 4.29 3.78 2bn7A1 GLU 212 HB2 -0.07 -0.01 0.02 -0.04 2.09 1.99 2bn7A1 GLU 212 HB3 -0.03 0.20 0.16 -0.04 1.99 2.27 2bn7A1 GLU 212 HG2 -0.43 0.01 -0.28 -0.04 2.34 1.60 2bn7A1 GLU 212 HG3 -0.56 -0.06 0.00 -0.04 2.34 1.68 2bn7A1 GLY 213 H -0.01 0.47 -0.26 -0.55 8.43 8.08 2bn7A1 GLY 213 HA2 -0.03 -0.00 0.40 -0.51 4.01 3.87 2bn7A1 GLY 213 HA3 0.04 0.07 0.30 -0.51 4.01 3.91 2bn7A1 GLU 214 H -0.03 0.46 -0.11 -0.55 8.60 8.37 2bn7A1 GLU 214 HA -0.03 0.02 0.47 -0.75 4.29 3.99 2bn7A1 GLU 214 HB2 -0.05 0.11 0.11 -0.04 2.09 2.22 2bn7A1 GLU 214 HB3 -0.04 -0.02 -0.08 -0.04 1.99 1.81 2bn7A1 GLU 214 HG2 -0.00 0.20 0.06 -0.04 2.34 2.55 2bn7A1 GLU 214 HG3 -0.02 0.02 -0.04 -0.04 2.34 2.25 2bn7A1 ILE 215 H -0.17 0.50 -0.22 -0.55 8.25 7.81 2bn7A1 ILE 215 HA -0.27 0.03 0.39 -0.75 4.18 3.58 2bn7A1 ILE 215 HB -0.35 0.09 0.16 -0.04 1.89 1.75 2bn7A1 ILE 215 HG12 -0.29 -0.03 -0.19 -0.04 1.49 0.93 2bn7A1 ILE 215 HG13 -0.17 0.04 0.01 -0.04 1.21 1.05 2bn7A1 ILE 215 HG23 -0.68 -0.03 -0.22 -0.04 0.93 -0.04 2bn7A1 ILE 215 HD13 -0.19 -0.03 -0.17 -0.04 0.88 0.45 2bn7A1 HIS 216 H -0.25 0.62 -0.08 -0.55 8.41 8.15 2bn7A1 HIS 216 HA -0.31 0.02 0.43 -0.75 4.63 4.02 2bn7A1 HIS 216 HB2 -0.02 0.07 0.11 -0.04 3.26 3.38 2bn7A1 HIS 216 HB3 0.01 0.00 0.02 -0.04 3.20 3.19 2bn7A1 HIS 216 HD2 -0.27 -0.07 -0.12 -0.04 6.97 6.47 2bn7A1 HIS 216 HE1 0.03 -0.04 0.02 -0.04 7.75 7.71 2bn7A1 HIS 217 H 0.10 0.48 -0.22 -0.55 8.41 8.22 2bn7A1 HIS 217 HA 0.02 0.01 0.49 -0.75 4.63 4.39 2bn7A1 HIS 217 HB2 0.00 0.07 0.14 -0.04 3.26 3.44 2bn7A1 HIS 217 HB3 -0.02 0.12 0.14 -0.04 3.20 3.39 2bn7A1 HIS 217 HD2 0.01 -0.02 0.01 -0.04 6.97 6.92 2bn7A1 HIS 217 HE1 -0.02 -0.01 -0.05 -0.04 7.75 7.63 2bn7A1 GLU 218 H 0.05 0.53 -0.16 -0.55 8.60 8.47 2bn7A1 GLU 218 HA 0.06 -0.00 0.42 -0.75 4.29 4.02 2bn7A1 GLU 218 HB2 0.06 0.07 0.10 -0.04 2.09 2.29 2bn7A1 GLU 218 HB3 0.02 0.08 0.13 -0.04 1.99 2.18 2bn7A1 GLU 218 HG2 0.16 -0.03 -0.40 -0.04 2.34 2.03 2bn7A1 GLU 218 HG3 0.33 0.01 -0.21 -0.04 2.34 2.43 2bn7A1 PHE 219 H 0.03 0.58 -0.08 -0.55 8.34 8.31 2bn7A1 PHE 219 HA 0.12 -0.06 0.36 -0.75 4.62 4.28 2bn7A1 PHE 219 HB2 0.04 0.14 0.10 -0.04 3.15 3.40 2bn7A1 PHE 219 HB3 0.03 0.16 -0.06 -0.04 3.06 3.16 2bn7A1 PHE 219 HD2 0.06 0.03 -0.16 -0.04 7.28 7.17 2bn7A1 PHE 219 HE2 0.07 0.00 -0.13 -0.04 7.38 7.27 2bn7A1 PHE 219 HZ 0.07 -0.07 -0.43 -0.04 7.32 6.84 2bn7A1 ASN 220 H 0.09 0.51 -0.29 -0.55 8.53 8.29 2bn7A1 ASN 220 HA -0.00 -0.04 -0.00 -0.75 4.76 3.96 2bn7A1 ASN 220 HB2 -0.04 0.08 0.11 -0.04 2.88 2.98 2bn7A1 ASN 220 HB3 -0.14 0.13 0.18 -0.04 2.79 2.92 2bn7A1 ASN 220 HD21 -0.08 -0.06 -0.01 -0.04 7.03 6.83 2bn7A1 ASN 220 HD22 -0.11 0.04 0.04 -0.04 7.74 7.67 2bn7A1 ARG 221 H -0.14 0.48 -0.21 -0.55 8.46 8.05 2bn7A1 ARG 221 HA -0.14 0.02 0.35 -0.75 4.34 3.82 2bn7A1 ARG 221 HB2 -0.17 -0.08 0.11 -0.04 1.90 1.72 2bn7A1 ARG 221 HB3 -0.28 0.06 0.10 -0.04 1.80 1.64 2bn7A1 ARG 221 HG2 -0.27 0.14 0.13 -0.04 1.67 1.64 2bn7A1 ARG 221 HG3 -0.70 -0.00 -0.16 -0.04 1.67 0.76 2bn7A1 ARG 221 HD2 -0.09 -0.05 -0.02 -0.04 3.22 3.02 2bn7A1 ARG 221 HD3 0.03 -0.01 -0.05 -0.04 3.22 3.15 2bn7A1 HIS 222 H -0.08 0.40 -0.28 -0.55 8.41 7.91 2bn7A1 HIS 222 HA 0.03 0.11 0.75 -0.75 4.63 4.77 2bn7A1 HIS 222 HB2 0.02 0.06 0.06 -0.04 3.26 3.36 2bn7A1 HIS 222 HB3 -0.03 -0.05 0.14 -0.04 3.20 3.21 2bn7A1 HIS 222 HD2 0.10 0.12 -0.04 -0.04 6.97 7.11 2bn7A1 HIS 222 HE1 0.03 -0.04 -0.04 -0.04 7.75 7.65 2bn7A1 GLY 223 H 0.05 0.50 -0.42 -0.55 8.43 8.01 2bn7A1 GLY 223 HA2 0.06 0.02 0.28 -0.51 4.01 3.85 2bn7A1 GLY 223 HA3 0.16 0.07 0.55 -0.51 4.01 4.27 2bn7A1 ALA 224 H 0.13 0.56 -0.15 -0.55 8.40 8.39 2bn7A1 ALA 224 HA 0.10 0.13 0.90 -0.75 4.34 4.71 2bn7A1 ALA 224 HB3 0.08 -0.01 -0.05 -0.04 1.41 1.39 2bn7A1 ARG 225 H -0.11 0.19 -0.08 -0.55 8.46 7.91 2bn7A1 ARG 225 HA -0.19 0.05 0.29 -0.75 4.34 3.74 2bn7A1 ARG 225 HB2 -0.64 -0.03 0.09 -0.04 1.90 1.28 2bn7A1 ARG 225 HB3 -1.09 -0.01 -0.06 -0.04 1.80 0.60 2bn7A1 ARG 225 HG2 -0.22 0.00 0.03 -0.04 1.67 1.45 2bn7A1 ARG 225 HG3 -0.15 0.03 -0.00 -0.04 1.67 1.50 2bn7A1 ARG 225 HD2 -0.08 0.00 0.02 -0.04 3.22 3.12 2bn7A1 ARG 225 HD3 -0.23 -0.01 0.02 -0.04 3.22 2.96 2bn7A1 TYR 226 H -0.10 0.12 -0.14 -0.55 8.29 7.61 2bn7A1 TYR 226 HA -0.05 0.22 0.89 -0.75 4.56 4.86 2bn7A1 TYR 226 HB2 -0.07 -0.05 0.00 -0.04 3.06 2.90 2bn7A1 TYR 226 HB3 -0.07 0.12 0.04 -0.04 2.98 3.03 2bn7A1 TYR 226 HD2 -0.05 0.03 -0.04 -0.04 7.15 7.05 2bn7A1 TYR 226 HE2 -0.01 -0.01 -0.03 -0.04 6.85 6.77 2bn7A1 PRO 227 HA -0.08 0.08 0.90 -0.51 4.44 4.82 2bn7A1 PRO 227 HB2 -0.06 0.14 0.03 -0.04 2.28 2.35 2bn7A1 PRO 227 HB3 0.15 0.02 0.20 -0.04 2.02 2.34 2bn7A1 PRO 227 HG2 -0.19 -0.02 0.08 -0.04 2.03 1.87 2bn7A1 PRO 227 HG3 -0.37 0.03 0.07 -0.04 2.03 1.73 2bn7A1 PRO 227 HD2 0.01 0.06 0.20 -0.04 3.68 3.91 2bn7A1 PRO 227 HD3 -0.08 0.23 0.21 -0.04 3.65 3.96 2bn7A1 SER 228 H -0.13 0.54 -0.03 -0.55 8.46 8.29 2bn7A1 SER 228 HA -0.01 0.09 0.43 -0.75 4.49 4.25 2bn7A1 SER 228 HB2 0.13 -0.12 -0.05 -0.04 3.95 3.87 2bn7A1 SER 228 HB3 0.03 0.08 -0.18 -0.04 3.93 3.82 2bn7A1 TYR 229 H -0.26 0.26 -0.09 -0.55 8.29 7.64 2bn7A1 TYR 229 HA -0.04 0.09 0.36 -0.75 4.56 4.22 2bn7A1 TYR 229 HB2 -0.02 -0.00 0.02 -0.04 3.06 3.01 2bn7A1 TYR 229 HB3 -0.08 0.05 -0.06 -0.04 2.98 2.85 2bn7A1 TYR 229 HD2 0.05 0.09 -0.37 -0.04 7.15 6.89 2bn7A1 TYR 229 HE2 0.13 0.22 -0.23 -0.04 6.85 6.93 2bn7A1 ASN 230 H 0.13 0.10 0.05 -0.55 8.53 8.27 2bn7A1 ASN 230 HA 0.06 0.03 0.50 -0.75 4.76 4.59 2bn7A1 ASN 230 HB2 0.08 -0.02 0.10 -0.04 2.88 3.00 2bn7A1 ASN 230 HB3 0.06 0.09 0.00 -0.04 2.79 2.89 2bn7A1 ASN 230 HD21 -0.04 0.00 0.00 -0.04 7.03 6.96 2bn7A1 ASN 230 HD22 -0.00 -0.00 0.02 -0.04 7.74 7.71 2bn7A1 THR 231 H 0.14 0.07 0.22 -0.55 8.28 8.16 2bn7A1 THR 231 HA 0.11 0.15 0.43 -0.75 4.39 4.32 2bn7A1 THR 231 HB 0.11 -0.05 0.13 -0.04 4.32 4.47 2bn7A1 THR 231 HG23 -0.01 -0.01 -0.20 -0.04 1.22 0.96 2bn7A1 ILE 232 H 0.19 0.64 0.32 -0.55 8.25 8.84 2bn7A1 ILE 232 HA 0.12 0.25 0.89 -0.75 4.18 4.69 2bn7A1 ILE 232 HB 0.21 -0.05 0.30 -0.04 1.89 2.31 2bn7A1 ILE 232 HG12 0.17 -0.13 -0.33 -0.04 1.49 1.16 2bn7A1 ILE 232 HG13 0.21 0.12 -0.28 -0.04 1.21 1.22 2bn7A1 ILE 232 HG23 0.18 0.05 -0.08 -0.04 0.93 1.04 2bn7A1 ILE 232 HD13 0.23 0.03 0.04 -0.04 0.88 1.13 2bn7A1 VAL 233 H 0.17 0.17 0.03 -0.55 8.24 8.05 2bn7A1 VAL 233 HA 0.11 0.35 0.83 -0.75 4.13 4.67 2bn7A1 VAL 233 HB 0.11 -0.13 0.10 -0.04 2.12 2.15 2bn7A1 VAL 233 HG13 0.04 0.01 -0.05 -0.04 0.97 0.93 2bn7A1 VAL 233 HG23 0.04 0.01 -0.28 -0.04 0.95 0.67 2bn7A1 GLY 234 H 0.12 0.72 0.08 -0.55 8.43 8.80 2bn7A1 GLY 234 HA2 -0.12 0.00 0.68 -0.51 4.01 4.06 2bn7A1 GLY 234 HA3 -0.03 0.16 0.03 -0.51 4.01 3.66 2bn7A1 SER 235 H -0.08 0.15 0.12 -0.55 8.46 8.11 2bn7A1 SER 235 HA -0.10 0.31 0.99 -0.75 4.49 4.94 2bn7A1 SER 235 HB2 -0.10 0.02 0.10 -0.04 3.95 3.92 2bn7A1 SER 235 HB3 -0.09 0.02 0.03 -0.04 3.93 3.86 2bn7A1 GLY 236 H -0.08 0.58 0.36 -0.55 8.43 8.75 2bn7A1 GLY 236 HA2 -0.04 0.06 0.49 -0.51 4.01 4.00 2bn7A1 GLY 236 HA3 -0.06 -0.04 0.50 -0.51 4.01 3.90 2bn7A1 GLU 237 H -0.05 0.11 0.28 -0.55 8.60 8.39 2bn7A1 GLU 237 HA -0.01 0.23 0.47 -0.75 4.29 4.23 2bn7A1 GLU 237 HB2 -0.04 -0.02 0.11 -0.04 2.09 2.09 2bn7A1 GLU 237 HB3 -0.01 -0.01 0.13 -0.04 1.99 2.06 2bn7A1 GLU 237 HG2 0.00 0.06 0.15 -0.04 2.34 2.50 2bn7A1 GLU 237 HG3 -0.02 -0.04 0.17 -0.04 2.34 2.42 2bn7A1 ASN 238 H -0.17 0.34 -0.17 -0.55 8.53 7.98 2bn7A1 ASN 238 HA -0.33 0.03 0.45 -0.75 4.76 4.16 2bn7A1 ASN 238 HB2 -0.46 0.11 0.02 -0.04 2.88 2.51 2bn7A1 ASN 238 HB3 -1.66 -0.06 0.09 -0.04 2.79 1.11 2bn7A1 ASN 238 HD21 -0.09 -0.04 0.06 -0.04 7.03 6.92 2bn7A1 ASN 238 HD22 -0.22 -0.03 0.13 -0.04 7.74 7.58 2bn7A1 GLY 239 H -0.09 0.40 -0.69 -0.55 8.43 7.51 2bn7A1 GLY 239 HA2 0.03 0.05 0.44 -0.51 4.01 4.01 2bn7A1 GLY 239 HA3 0.04 0.12 0.23 -0.51 4.01 3.89 2bn7A1 CYS 240 H 0.02 0.39 -0.51 -0.55 8.50 7.86 2bn7A1 CYS 240 HA 0.20 0.11 0.48 -0.75 4.58 4.63 2bn7A1 CYS 240 HB2 0.04 0.08 -0.06 -0.04 2.97 2.99 2bn7A1 CYS 240 HB3 0.10 -0.04 -0.06 -0.04 2.97 2.93 2bn7A1 ILE 241 H -0.02 0.39 -0.48 -0.55 8.25 7.60 2bn7A1 ILE 241 HA -0.03 0.08 0.73 -0.75 4.18 4.21 2bn7A1 ILE 241 HB 0.08 0.13 0.15 -0.04 1.89 2.21 2bn7A1 ILE 241 HG12 0.04 0.01 -0.05 -0.04 1.49 1.45 2bn7A1 ILE 241 HG13 0.00 0.01 -0.23 -0.04 1.21 0.95 2bn7A1 ILE 241 HG23 0.13 -0.05 -0.18 -0.04 0.93 0.79 2bn7A1 ILE 241 HD13 0.05 -0.02 -0.01 -0.04 0.88 0.85 2bn7A1 LEU 242 H -0.11 0.14 0.01 -0.55 8.37 7.86 2bn7A1 LEU 242 HA -0.27 0.16 0.04 -0.75 4.35 3.53 2bn7A1 LEU 242 HB2 -0.22 -0.07 0.01 -0.04 1.64 1.33 2bn7A1 LEU 242 HB3 -0.50 0.04 -0.08 -0.04 1.64 1.06 2bn7A1 LEU 242 HG -0.22 0.00 -0.02 -0.04 1.64 1.37 2bn7A1 LEU 242 HD13 -0.11 -0.00 -0.11 -0.04 0.93 0.67 2bn7A1 LEU 242 HD23 -0.68 0.02 -0.20 -0.04 0.89 -0.01 2bn7A1 HIS 243 H 0.04 0.02 -0.25 -0.55 8.41 7.68 2bn7A1 HIS 243 HA 0.07 0.29 0.73 -0.75 4.63 4.97 2bn7A1 HIS 243 HB2 0.01 -0.06 0.07 -0.04 3.26 3.24 2bn7A1 HIS 243 HB3 0.03 0.04 0.07 -0.04 3.20 3.30 2bn7A1 HIS 243 HD2 -0.00 0.06 -0.08 -0.04 6.97 6.90 2bn7A1 HIS 243 HE1 -0.05 -0.00 -0.10 -0.04 7.75 7.55 2bn7A1 TYR 244 H 0.19 0.45 -0.39 -0.55 8.29 7.98 2bn7A1 TYR 244 HA 0.05 -0.04 0.53 -0.75 4.56 4.35 2bn7A1 TYR 244 HB2 0.03 0.08 0.12 -0.04 3.06 3.25 2bn7A1 TYR 244 HB3 0.04 0.10 0.09 -0.04 2.98 3.18 2bn7A1 TYR 244 HD2 0.04 0.04 -0.17 -0.04 7.15 7.02 2bn7A1 TYR 244 HE2 0.04 0.14 0.06 -0.04 6.85 7.05 2bn7A1 THR 245 H -0.21 0.10 0.20 -0.55 8.28 7.82 2bn7A1 THR 245 HA -0.13 0.30 0.97 -0.75 4.39 4.79 2bn7A1 THR 245 HB -0.02 0.01 0.07 -0.04 4.32 4.34 2bn7A1 THR 245 HG23 0.07 0.07 -0.39 -0.04 1.22 0.93 2bn7A1 GLU 246 H -0.82 0.01 0.07 -0.55 8.60 7.32 2bn7A1 GLU 246 HA -0.14 0.15 0.47 -0.75 4.29 4.02 2bn7A1 GLU 246 HB2 -0.39 -0.07 0.14 -0.04 2.09 1.72 2bn7A1 GLU 246 HB3 -0.03 -0.02 -0.00 -0.04 1.99 1.90 2bn7A1 GLU 246 HG2 0.02 0.02 0.04 -0.04 2.34 2.37 2bn7A1 GLU 246 HG3 -0.05 0.07 0.06 -0.04 2.34 2.38 2bn7A1 ASN 247 H -0.72 0.04 -0.19 -0.55 8.53 7.11 2bn7A1 ASN 247 HA 0.24 0.08 0.28 -0.75 4.76 4.60 2bn7A1 ASN 247 HB2 0.05 0.19 -0.26 -0.04 2.88 2.82 2bn7A1 ASN 247 HB3 0.11 -0.11 -0.09 -0.04 2.79 2.66 2bn7A1 ASN 247 HD21 0.04 0.37 -0.13 -0.04 7.03 7.27 2bn7A1 ASN 247 HD22 0.03 -0.06 -0.12 -0.04 7.74 7.55 2bn7A1 GLU 248 H 0.25 -0.00 -0.16 -0.55 8.60 8.14 2bn7A1 GLU 248 HA 0.36 0.20 0.52 -0.75 4.29 4.61 2bn7A1 GLU 248 HB2 0.16 0.01 0.08 -0.04 2.09 2.30 2bn7A1 GLU 248 HB3 0.10 0.16 -0.07 -0.04 1.99 2.15 2bn7A1 GLU 248 HG2 0.22 -0.13 -0.05 -0.04 2.34 2.33 2bn7A1 GLU 248 HG3 0.18 0.01 -0.24 -0.04 2.34 2.24 2bn7A1 CYS 249 H 0.21 0.02 -0.00 -0.55 8.50 8.18 2bn7A1 CYS 249 HA 0.14 0.18 0.62 -0.75 4.58 4.77 2bn7A1 CYS 249 HB2 0.03 -0.06 0.06 -0.04 2.97 2.96 2bn7A1 CYS 249 HB3 -0.03 0.17 0.01 -0.04 2.97 3.09 2bn7A1 GLU 250 H -0.27 0.15 0.18 -0.55 8.60 8.11 2bn7A1 GLU 250 HA -1.19 0.12 0.54 -0.75 4.29 3.01 2bn7A1 GLU 250 HB2 -0.86 0.02 0.11 -0.04 2.09 1.31 2bn7A1 GLU 250 HB3 -0.31 -0.06 0.11 -0.04 1.99 1.70 2bn7A1 GLU 250 HG2 -0.27 0.03 -0.32 -0.04 2.34 1.73 2bn7A1 GLU 250 HG3 -0.51 0.13 -0.08 -0.04 2.34 1.84 2bn7A1 MET 251 H -0.30 0.88 0.33 -0.55 8.47 8.82 2bn7A1 MET 251 HA -0.13 -0.02 0.57 -0.75 4.52 4.19 2bn7A1 MET 251 HB2 -0.10 0.13 0.11 -0.04 2.15 2.25 2bn7A1 MET 251 HB3 -0.10 -0.03 -0.08 -0.04 2.03 1.78 2bn7A1 MET 251 HG2 -0.09 -0.10 -0.09 -0.04 2.63 2.32 2bn7A1 MET 251 HG3 -0.11 0.01 -0.18 -0.04 2.56 2.23 2bn7A1 MET 251 HE3 -0.00 0.03 -0.20 -0.04 2.10 1.89 2bn7A1 ARG 252 H -0.10 0.12 0.15 -0.55 8.46 8.09 2bn7A1 ARG 252 HA -0.08 0.12 0.71 -0.75 4.34 4.34 2bn7A1 ARG 252 HB2 -0.06 -0.07 0.06 -0.04 1.90 1.79 2bn7A1 ARG 252 HB3 -0.06 0.10 0.04 -0.04 1.80 1.84 2bn7A1 ARG 252 HG2 -0.10 0.10 -0.04 -0.04 1.67 1.59 2bn7A1 ARG 252 HG3 -0.06 -0.02 0.02 -0.04 1.67 1.56 2bn7A1 ARG 252 HD2 -0.08 0.01 -0.11 -0.04 3.22 2.99 2bn7A1 ARG 252 HD3 -0.09 0.02 -0.09 -0.04 3.22 3.02 2bn7A1 ASP 253 H -0.05 0.17 0.17 -0.55 8.40 8.14 2bn7A1 ASP 253 HA -0.05 -0.01 0.57 -0.75 4.63 4.39 2bn7A1 ASP 253 HB2 -0.04 0.07 0.16 -0.04 2.71 2.86 2bn7A1 ASP 253 HB3 -0.04 0.00 0.15 -0.04 2.70 2.78 2bn7A1 GLY 254 H -0.05 0.07 0.20 -0.55 8.43 8.11 2bn7A1 GLY 254 HA2 -0.04 -0.01 0.38 -0.51 4.01 3.84 2bn7A1 GLY 254 HA3 -0.03 0.19 0.76 -0.51 4.01 4.42 2bn7A1 ASP 255 H -0.06 0.48 -0.14 -0.55 8.40 8.14 2bn7A1 ASP 255 HA -0.04 0.15 0.79 -0.75 4.63 4.77 2bn7A1 ASP 255 HB2 -0.08 0.11 0.18 -0.04 2.71 2.88 2bn7A1 ASP 255 HB3 -0.07 -0.02 0.24 -0.04 2.70 2.81 2bn7A1 LEU 256 H -0.05 0.17 0.26 -0.55 8.37 8.20 2bn7A1 LEU 256 HA -0.17 0.13 0.87 -0.75 4.35 4.42 2bn7A1 LEU 256 HB2 -0.02 0.03 0.10 -0.04 1.64 1.71 2bn7A1 LEU 256 HB3 -0.05 0.09 -0.01 -0.04 1.64 1.63 2bn7A1 LEU 256 HG 0.01 -0.04 -0.01 -0.04 1.64 1.56 2bn7A1 LEU 256 HD13 0.14 0.01 -0.07 -0.04 0.93 0.97 2bn7A1 LEU 256 HD23 -0.07 -0.02 -0.20 -0.04 0.89 0.56 2bn7A1 VAL 257 H -0.40 0.75 0.31 -0.55 8.24 8.35 2bn7A1 VAL 257 HA -0.16 0.15 0.74 -0.75 4.13 4.11 2bn7A1 VAL 257 HB -0.23 -0.08 -0.10 -0.04 2.12 1.67 2bn7A1 VAL 257 HG13 -0.87 0.03 -0.10 -0.04 0.97 -0.00 2bn7A1 VAL 257 HG23 -0.12 -0.01 -0.34 -0.04 0.95 0.44 2bn7A1 LEU 258 H -0.05 0.56 0.09 -0.55 8.37 8.42 2bn7A1 LEU 258 HA 0.04 0.19 1.00 -0.75 4.35 4.83 2bn7A1 LEU 258 HB2 0.07 0.09 0.08 -0.04 1.64 1.85 2bn7A1 LEU 258 HB3 0.07 -0.04 0.21 -0.04 1.64 1.83 2bn7A1 LEU 258 HG 0.15 0.03 -0.09 -0.04 1.64 1.69 2bn7A1 LEU 258 HD13 0.23 0.03 -0.22 -0.04 0.93 0.93 2bn7A1 LEU 258 HD23 0.14 0.00 -0.35 -0.04 0.89 0.65 2bn7A1 ILE 259 H 0.18 0.80 0.33 -0.55 8.25 9.01 2bn7A1 ILE 259 HA 0.15 0.39 1.16 -0.75 4.18 5.12 2bn7A1 ILE 259 HB 0.34 0.00 0.20 -0.04 1.89 2.39 2bn7A1 ILE 259 HG12 0.07 -0.02 -0.19 -0.04 1.49 1.31 2bn7A1 ILE 259 HG13 0.07 0.00 -0.30 -0.04 1.21 0.94 2bn7A1 ILE 259 HG23 0.03 -0.00 -0.18 -0.04 0.93 0.74 2bn7A1 ILE 259 HD13 0.24 -0.00 -0.12 -0.04 0.88 0.95 2bn7A1 ASP 260 H 0.22 0.48 0.23 -0.55 8.40 8.78 2bn7A1 ASP 260 HA 0.35 0.35 1.06 -0.75 4.63 5.63 2bn7A1 ASP 260 HB2 0.19 -0.02 -0.00 -0.04 2.71 2.84 2bn7A1 ASP 260 HB3 0.26 -0.04 0.18 -0.04 2.70 3.07 2bn7A1 ALA 261 H 0.54 0.74 0.25 -0.55 8.40 9.39 2bn7A1 ALA 261 HA 0.05 0.09 0.68 -0.75 4.34 4.41 2bn7A1 ALA 261 HB3 0.11 0.01 -0.13 -0.04 1.41 1.36 2bn7A1 GLY 262 H -0.17 0.27 0.13 -0.55 8.43 8.12 2bn7A1 GLY 262 HA2 0.13 0.03 0.65 -0.51 4.01 4.31 2bn7A1 GLY 262 HA3 0.16 0.34 0.03 -0.51 4.01 4.02 2bn7A1 CYS 263 H -0.44 0.11 0.16 -0.55 8.50 7.78 2bn7A1 CYS 263 HA -0.87 0.15 0.71 -0.75 4.58 3.81 2bn7A1 CYS 263 HB2 -0.56 0.14 0.02 -0.04 2.97 2.53 2bn7A1 CYS 263 HB3 -1.64 -0.01 0.02 -0.04 2.97 1.30 2bn7A1 GLU 264 H -0.13 0.76 0.23 -0.55 8.60 8.91 2bn7A1 GLU 264 HA 0.01 0.36 0.70 -0.75 4.29 4.60 2bn7A1 GLU 264 HB2 -0.03 -0.01 -0.43 -0.04 2.09 1.58 2bn7A1 GLU 264 HB3 0.01 -0.01 -0.05 -0.04 1.99 1.90 2bn7A1 GLU 264 HG2 -0.08 -0.24 -0.31 -0.04 2.34 1.66 2bn7A1 GLU 264 HG3 -0.05 0.12 -0.48 -0.04 2.34 1.89 2bn7A1 TYR 265 H 0.17 0.74 0.06 -0.55 8.29 8.70 2bn7A1 TYR 265 HA 0.03 0.17 0.87 -0.75 4.56 4.88 2bn7A1 TYR 265 HB2 -0.01 -0.02 -0.15 -0.04 3.06 2.85 2bn7A1 TYR 265 HB3 0.05 -0.00 0.05 -0.04 2.98 3.04 2bn7A1 TYR 265 HD2 0.05 0.01 -0.14 -0.04 7.15 7.02 2bn7A1 TYR 265 HE2 0.05 0.07 0.00 -0.04 6.85 6.93 2bn7A1 LYS 266 H -0.15 0.25 0.13 -0.55 8.42 8.10 2bn7A1 LYS 266 HA 0.08 0.05 0.32 -0.75 4.32 4.02 2bn7A1 LYS 266 HB2 0.13 0.09 0.11 -0.04 1.87 2.16 2bn7A1 LYS 266 HB3 0.20 -0.07 0.21 -0.04 1.79 2.09 2bn7A1 LYS 266 HG2 -1.21 -0.01 -0.23 -0.04 1.46 -0.03 2bn7A1 LYS 266 HG3 -0.24 0.13 0.07 -0.04 1.46 1.38 2bn7A1 LYS 266 HD2 -0.03 -0.06 0.10 -0.04 1.69 1.66 2bn7A1 LYS 266 HD3 -0.21 -0.05 0.13 -0.04 1.68 1.51 2bn7A1 LYS 266 HE2 -0.10 -0.04 0.07 -0.04 2.99 2.87 2bn7A1 LYS 266 HE3 -0.64 0.05 0.05 -0.04 2.99 2.41 2bn7A1 GLY 267 H -0.08 0.09 -0.43 -0.55 8.43 7.45 2bn7A1 GLY 267 HA2 -0.41 0.01 0.20 -0.51 4.01 3.30 2bn7A1 GLY 267 HA3 -0.40 0.10 0.52 -0.51 4.01 3.72 2bn7A1 TYR 268 H 0.22 0.45 -0.52 -0.55 8.29 7.90 2bn7A1 TYR 268 HA 0.06 0.18 0.42 -0.75 4.56 4.47 2bn7A1 TYR 268 HB2 0.12 0.13 -0.10 -0.04 3.06 3.17 2bn7A1 TYR 268 HB3 0.09 0.02 -0.17 -0.04 2.98 2.88 2bn7A1 TYR 268 HD2 0.11 0.09 -0.17 -0.04 7.15 7.14 2bn7A1 TYR 268 HE2 0.16 0.00 -0.03 -0.04 6.85 6.94 2bn7A1 ALA 269 H 0.17 0.53 0.14 -0.55 8.40 8.70 2bn7A1 ALA 269 HA 0.08 0.22 0.65 -0.75 4.34 4.53 2bn7A1 ALA 269 HB3 0.12 0.00 -0.11 -0.04 1.41 1.38 2bn7A1 GLY 270 H 0.04 0.56 0.26 -0.55 8.43 8.73 2bn7A1 GLY 270 HA2 0.09 0.14 0.59 -0.51 4.01 4.33 2bn7A1 GLY 270 HA3 0.05 -0.01 0.28 -0.51 4.01 3.82 2bn7A1 ASP 271 H 0.13 0.17 -0.12 -0.55 8.40 8.03 2bn7A1 ASP 271 HA 0.42 0.05 0.34 -0.75 4.63 4.69 2bn7A1 ASP 271 HB2 0.24 0.09 -0.40 -0.04 2.71 2.60 2bn7A1 ASP 271 HB3 0.15 -0.01 -0.09 -0.04 2.70 2.71 2bn7A1 ILE 272 H 0.29 0.48 0.09 -0.55 8.25 8.56 2bn7A1 ILE 272 HA 0.02 0.31 0.96 -0.75 4.18 4.71 2bn7A1 ILE 272 HB -0.27 0.05 0.09 -0.04 1.89 1.72 2bn7A1 ILE 272 HG12 -0.01 0.07 0.01 -0.04 1.49 1.52 2bn7A1 ILE 272 HG13 0.06 -0.22 -0.21 -0.04 1.21 0.79 2bn7A1 ILE 272 HG23 -0.46 0.03 -0.12 -0.04 0.93 0.33 2bn7A1 ILE 272 HD13 0.01 0.01 -0.09 -0.04 0.88 0.77 2bn7A1 THR 273 H 0.03 0.37 0.32 -0.55 8.28 8.46 2bn7A1 THR 273 HA 0.22 0.48 1.08 -0.75 4.39 5.43 2bn7A1 THR 273 HB 0.12 -0.14 -0.13 -0.04 4.32 4.13 2bn7A1 THR 273 HG23 0.18 0.02 -0.29 -0.04 1.22 1.08 2bn7A1 ARG 274 H 0.29 0.59 0.33 -0.55 8.46 9.12 2bn7A1 ARG 274 HA 0.22 0.11 0.74 -0.75 4.34 4.65 2bn7A1 ARG 274 HB2 0.42 -0.04 0.10 -0.04 1.90 2.34 2bn7A1 ARG 274 HB3 0.34 0.03 0.03 -0.04 1.80 2.15 2bn7A1 ARG 274 HG2 -0.01 -0.05 -0.30 -0.04 1.67 1.27 2bn7A1 ARG 274 HG3 0.12 -0.03 -0.07 -0.04 1.67 1.65 2bn7A1 ARG 274 HD2 0.17 0.03 0.15 -0.04 3.22 3.53 2bn7A1 ARG 274 HD3 0.13 0.01 0.29 -0.04 3.22 3.61 2bn7A1 THR 275 H 0.35 0.23 0.24 -0.55 8.28 8.56 2bn7A1 THR 275 HA 0.09 0.35 1.13 -0.75 4.39 5.20 2bn7A1 THR 275 HB 0.36 -0.05 0.12 -0.04 4.32 4.71 2bn7A1 THR 275 HG23 0.10 -0.00 -0.08 -0.04 1.22 1.20 2bn7A1 PHE 276 H -0.35 0.53 0.31 -0.55 8.34 8.27 2bn7A1 PHE 276 HA -0.25 0.09 0.61 -0.75 4.62 4.32 2bn7A1 PHE 276 HB2 -0.17 0.05 0.00 -0.04 3.15 3.00 2bn7A1 PHE 276 HB3 0.01 0.07 -0.18 -0.04 3.06 2.92 2bn7A1 PHE 276 HD2 0.00 0.08 -0.39 -0.04 7.28 6.93 2bn7A1 PHE 276 HE2 0.03 0.04 -0.13 -0.04 7.38 7.28 2bn7A1 PHE 276 HZ 0.01 -0.02 -0.27 -0.04 7.32 7.00 2bn7A1 PRO 277 HA -0.24 0.13 0.69 -0.51 4.44 4.51 2bn7A1 PRO 277 HB2 -0.19 -0.17 -0.18 -0.04 2.28 1.69 2bn7A1 PRO 277 HB3 -0.39 0.07 -0.21 -0.04 2.02 1.44 2bn7A1 PRO 277 HG2 -0.25 0.04 -0.19 -0.04 2.03 1.60 2bn7A1 PRO 277 HG3 -0.65 -0.05 -0.42 -0.04 2.03 0.87 2bn7A1 PRO 277 HD2 -0.50 0.19 0.10 -0.04 3.68 3.44 2bn7A1 PRO 277 HD3 -2.22 0.09 0.03 -0.04 3.65 1.51 2bn7A1 VAL 278 H -0.13 0.60 0.30 -0.55 8.24 8.45 2bn7A1 VAL 278 HA -0.02 0.13 0.29 -0.75 4.13 3.78 2bn7A1 VAL 278 HB -0.08 0.01 0.05 -0.04 2.12 2.06 2bn7A1 VAL 278 HG13 -0.05 -0.02 -0.51 -0.04 0.97 0.35 2bn7A1 VAL 278 HG23 -0.13 -0.03 -0.21 -0.04 0.95 0.54 2bn7A1 ASN 279 H -0.06 -0.01 -0.16 -0.55 8.53 7.75 2bn7A1 ASN 279 HA -0.02 0.30 0.68 -0.75 4.76 4.96 2bn7A1 ASN 279 HB2 -0.03 0.10 0.17 -0.04 2.88 3.07 2bn7A1 ASN 279 HB3 -0.04 -0.11 0.11 -0.04 2.79 2.71 2bn7A1 ASN 279 HD21 -0.03 0.07 0.03 -0.04 7.03 7.05 2bn7A1 ASN 279 HD22 -0.03 0.00 0.04 -0.04 7.74 7.71 2bn7A1 GLY 280 H -0.04 0.30 -0.63 -0.55 8.43 7.51 2bn7A1 GLY 280 HA2 -0.04 0.11 0.20 -0.51 4.01 3.77 2bn7A1 GLY 280 HA3 -0.03 0.17 0.28 -0.51 4.01 3.92 2bn7A1 LYS 281 H -0.08 0.04 -0.42 -0.55 8.42 7.40 2bn7A1 LYS 281 HA 0.00 0.12 0.80 -0.75 4.32 4.49 2bn7A1 LYS 281 HB2 -0.01 0.12 -0.17 -0.04 1.87 1.76 2bn7A1 LYS 281 HB3 -0.02 -0.06 -0.02 -0.04 1.79 1.65 2bn7A1 LYS 281 HG2 0.01 -0.04 -0.07 -0.04 1.46 1.32 2bn7A1 LYS 281 HG3 0.03 0.11 -0.26 -0.04 1.46 1.30 2bn7A1 LYS 281 HD2 0.05 -0.01 0.09 -0.04 1.69 1.78 2bn7A1 LYS 281 HD3 0.02 0.02 -0.01 -0.04 1.68 1.67 2bn7A1 LYS 281 HE2 0.02 -0.03 -0.02 -0.04 2.99 2.92 2bn7A1 LYS 281 HE3 0.05 0.09 -0.02 -0.04 2.99 3.07 2bn7A1 PHE 282 H 0.17 0.17 0.05 -0.55 8.34 8.17 2bn7A1 PHE 282 HA -0.03 0.01 0.50 -0.75 4.62 4.35 2bn7A1 PHE 282 HB2 -0.05 -0.01 0.07 -0.04 3.15 3.12 2bn7A1 PHE 282 HB3 -0.03 0.06 -0.07 -0.04 3.06 2.98 2bn7A1 PHE 282 HD2 -0.08 -0.03 -0.07 -0.04 7.28 7.06 2bn7A1 PHE 282 HE2 -0.21 0.04 -0.04 -0.04 7.38 7.13 2bn7A1 PHE 282 HZ -0.65 0.22 0.04 -0.04 7.32 6.89 2bn7A1 THR 283 H 0.11 0.09 0.17 -0.55 8.28 8.10 2bn7A1 THR 283 HA 0.05 0.22 0.68 -0.75 4.39 4.59 2bn7A1 THR 283 HB 0.02 -0.03 0.19 -0.04 4.32 4.45 2bn7A1 THR 283 HG23 0.01 0.06 0.08 -0.04 1.22 1.33 2bn7A1 GLN 284 H 0.03 0.21 0.14 -0.55 8.47 8.30 2bn7A1 GLN 284 HA 0.04 0.12 0.44 -0.75 4.36 4.20 2bn7A1 GLN 284 HB2 0.02 0.06 0.14 -0.04 2.15 2.33 2bn7A1 GLN 284 HB3 0.01 -0.04 0.13 -0.04 2.02 2.08 2bn7A1 GLN 284 HG2 0.04 -0.00 -0.17 -0.04 2.40 2.23 2bn7A1 GLN 284 HG3 0.02 0.03 0.02 -0.04 2.39 2.42 2bn7A1 GLN 284 HE21 0.01 0.03 -0.02 -0.04 6.97 6.95 2bn7A1 GLN 284 HE22 0.02 0.01 -0.04 -0.04 7.69 7.65 2bn7A1 ALA 285 H 0.02 0.10 -0.08 -0.55 8.40 7.90 2bn7A1 ALA 285 HA 0.16 0.10 0.34 -0.75 4.34 4.19 2bn7A1 ALA 285 HB3 -0.07 0.04 -0.01 -0.04 1.41 1.33 2bn7A1 GLN 286 H 0.10 -0.01 -0.28 -0.55 8.47 7.74 2bn7A1 GLN 286 HA 0.16 0.12 0.45 -0.75 4.36 4.34 2bn7A1 GLN 286 HB2 0.22 -0.06 0.13 -0.04 2.15 2.40 2bn7A1 GLN 286 HB3 0.36 0.03 -0.02 -0.04 2.02 2.35 2bn7A1 GLN 286 HG2 0.10 0.06 0.01 -0.04 2.40 2.53 2bn7A1 GLN 286 HG3 0.08 0.01 0.04 -0.04 2.39 2.47 2bn7A1 GLN 286 HE21 -0.03 0.23 -0.09 -0.04 6.97 7.05 2bn7A1 GLN 286 HE22 0.01 0.01 0.07 -0.04 7.69 7.74 2bn7A1 ARG 287 H 0.10 0.65 -0.16 -0.55 8.46 8.49 2bn7A1 ARG 287 HA -0.16 -0.01 0.46 -0.75 4.34 3.87 2bn7A1 ARG 287 HB2 0.01 0.14 0.14 -0.04 1.90 2.15 2bn7A1 ARG 287 HB3 -0.05 -0.02 -0.09 -0.04 1.80 1.60 2bn7A1 ARG 287 HG2 -0.03 0.02 -0.08 -0.04 1.67 1.54 2bn7A1 ARG 287 HG3 -0.05 0.00 -0.06 -0.04 1.67 1.52 2bn7A1 ARG 287 HD2 -0.65 -0.02 0.04 -0.04 3.22 2.55 2bn7A1 ARG 287 HD3 -0.50 -0.03 -0.01 -0.04 3.22 2.64 2bn7A1 GLU 288 H 0.07 0.53 -0.20 -0.55 8.60 8.45 2bn7A1 GLU 288 HA -0.01 0.01 0.40 -0.75 4.29 3.94 2bn7A1 GLU 288 HB2 0.17 0.13 0.14 -0.04 2.09 2.49 2bn7A1 GLU 288 HB3 0.01 0.00 -0.01 -0.04 1.99 1.94 2bn7A1 GLU 288 HG2 0.03 -0.02 0.01 -0.04 2.34 2.31 2bn7A1 GLU 288 HG3 0.05 0.05 0.03 -0.04 2.34 2.43 2bn7A1 ILE 289 H 0.06 0.38 -0.21 -0.55 8.25 7.92 2bn7A1 ILE 289 HA -0.12 0.09 0.61 -0.75 4.18 4.01 2bn7A1 ILE 289 HB 0.05 0.05 0.07 -0.04 1.89 2.02 2bn7A1 ILE 289 HG12 0.08 0.16 0.04 -0.04 1.49 1.73 2bn7A1 ILE 289 HG13 0.04 0.03 -0.02 -0.04 1.21 1.22 2bn7A1 ILE 289 HG23 -0.09 -0.00 -0.12 -0.04 0.93 0.67 2bn7A1 ILE 289 HD13 -0.40 -0.01 -0.11 -0.04 0.88 0.33 2bn7A1 TYR 290 H 0.12 0.65 -0.00 -0.55 8.29 8.51 2bn7A1 TYR 290 HA -0.05 0.02 0.33 -0.75 4.56 4.10 2bn7A1 TYR 290 HB2 -0.05 0.09 0.08 -0.04 3.06 3.14 2bn7A1 TYR 290 HB3 -0.28 -0.01 0.13 -0.04 2.98 2.78 2bn7A1 TYR 290 HD2 -0.04 -0.03 -0.12 -0.04 7.15 6.92 2bn7A1 TYR 290 HE2 0.07 0.08 0.10 -0.04 6.85 7.05 2bn7A1 ASP 291 H 0.00 0.74 -0.17 -0.55 8.40 8.42 2bn7A1 ASP 291 HA -0.04 -0.02 0.40 -0.75 4.63 4.21 2bn7A1 ASP 291 HB2 -0.04 0.15 0.08 -0.04 2.71 2.86 2bn7A1 ASP 291 HB3 -0.05 -0.05 -0.01 -0.04 2.70 2.55 2bn7A1 ILE 292 H -0.11 0.35 -0.35 -0.55 8.25 7.60 2bn7A1 ILE 292 HA -0.12 0.02 0.47 -0.75 4.18 3.80 2bn7A1 ILE 292 HB -0.15 0.16 0.11 -0.04 1.89 1.96 2bn7A1 ILE 292 HG12 -0.11 -0.08 0.06 -0.04 1.49 1.33 2bn7A1 ILE 292 HG13 -0.11 0.10 0.09 -0.04 1.21 1.26 2bn7A1 ILE 292 HG23 -0.15 0.00 -0.14 -0.04 0.93 0.60 2bn7A1 ILE 292 HD13 -0.16 0.01 -0.08 -0.04 0.88 0.61 2bn7A1 VAL 293 H -0.22 0.45 -0.15 -0.55 8.24 7.78 2bn7A1 VAL 293 HA -0.24 0.02 0.36 -0.75 4.13 3.51 2bn7A1 VAL 293 HB -0.37 0.10 0.01 -0.04 2.12 1.81 2bn7A1 VAL 293 HG13 -0.21 -0.04 -0.32 -0.04 0.97 0.37 2bn7A1 VAL 293 HG23 -0.23 0.05 -0.12 -0.04 0.95 0.61 2bn7A1 LEU 294 H -0.32 0.61 -0.11 -0.55 8.37 7.99 2bn7A1 LEU 294 HA -0.19 0.06 0.46 -0.75 4.35 3.91 2bn7A1 LEU 294 HB2 -0.36 0.09 0.08 -0.04 1.64 1.40 2bn7A1 LEU 294 HB3 -0.12 0.04 0.12 -0.04 1.64 1.63 2bn7A1 LEU 294 HG -0.04 -0.04 -0.15 -0.04 1.64 1.37 2bn7A1 LEU 294 HD13 -0.01 0.01 -0.03 -0.04 0.93 0.86 2bn7A1 LEU 294 HD23 0.10 -0.00 0.01 -0.04 0.89 0.95 2bn7A1 GLU 295 H -0.13 0.63 -0.13 -0.55 8.60 8.42 2bn7A1 GLU 295 HA -0.07 -0.01 0.49 -0.75 4.29 3.94 2bn7A1 GLU 295 HB2 -0.08 0.08 0.15 -0.04 2.09 2.20 2bn7A1 GLU 295 HB3 -0.10 0.09 0.12 -0.04 1.99 2.06 2bn7A1 GLU 295 HG2 -0.07 -0.03 -0.11 -0.04 2.34 2.08 2bn7A1 GLU 295 HG3 -0.06 -0.04 0.05 -0.04 2.34 2.25 2bn7A1 SER 296 H -0.14 0.54 -0.20 -0.55 8.46 8.11 2bn7A1 SER 296 HA -0.12 -0.03 0.44 -0.75 4.49 4.03 2bn7A1 SER 296 HB2 -0.20 0.19 0.16 -0.04 3.95 4.06 2bn7A1 SER 296 HB3 -0.20 -0.08 0.05 -0.04 3.93 3.66 2bn7A1 LEU 297 H -0.12 0.49 -0.20 -0.55 8.37 8.00 2bn7A1 LEU 297 HA -0.04 0.03 0.46 -0.75 4.35 4.05 2bn7A1 LEU 297 HB2 -0.07 0.13 0.13 -0.04 1.64 1.80 2bn7A1 LEU 297 HB3 -0.07 0.04 0.19 -0.04 1.64 1.76 2bn7A1 LEU 297 HG -0.01 -0.07 -0.25 -0.04 1.64 1.28 2bn7A1 LEU 297 HD13 0.02 0.01 0.03 -0.04 0.93 0.95 2bn7A1 LEU 297 HD23 -0.01 0.02 -0.12 -0.04 0.89 0.74 2bn7A1 GLU 298 H -0.06 0.73 0.03 -0.55 8.60 8.76 2bn7A1 GLU 298 HA -0.01 -0.00 0.37 -0.75 4.29 3.89 2bn7A1 GLU 298 HB2 -0.04 0.07 0.16 -0.04 2.09 2.24 2bn7A1 GLU 298 HB3 -0.02 -0.05 0.01 -0.04 1.99 1.89 2bn7A1 GLU 298 HG2 -0.01 -0.05 0.03 -0.04 2.34 2.27 2bn7A1 GLU 298 HG3 -0.03 0.12 0.08 -0.04 2.34 2.47 2bn7A1 THR 299 H -0.06 0.64 -0.20 -0.55 8.28 8.12 2bn7A1 THR 299 HA -0.05 0.02 0.50 -0.75 4.39 4.10 2bn7A1 THR 299 HB -0.08 0.11 0.12 -0.04 4.32 4.42 2bn7A1 THR 299 HG23 -0.07 -0.02 -0.11 -0.04 1.22 0.97 2bn7A1 SER 300 H -0.08 0.56 -0.12 -0.55 8.46 8.27 2bn7A1 SER 300 HA -0.22 -0.04 0.47 -0.75 4.49 3.94 2bn7A1 SER 300 HB2 -0.01 0.13 0.18 -0.04 3.95 4.21 2bn7A1 SER 300 HB3 -0.10 -0.09 0.01 -0.04 3.93 3.71 2bn7A1 LEU 301 H 0.00 0.62 -0.18 -0.55 8.37 8.26 2bn7A1 LEU 301 HA 0.13 -0.00 0.36 -0.75 4.35 4.08 2bn7A1 LEU 301 HB2 0.02 0.13 0.11 -0.04 1.64 1.86 2bn7A1 LEU 301 HB3 0.04 -0.06 -0.04 -0.04 1.64 1.54 2bn7A1 LEU 301 HG 0.04 0.19 0.00 -0.04 1.64 1.84 2bn7A1 LEU 301 HD13 0.02 -0.04 -0.10 -0.04 0.93 0.77 2bn7A1 LEU 301 HD23 0.07 -0.03 -0.09 -0.04 0.89 0.80 2bn7A1 ARG 302 H -0.01 0.34 -0.26 -0.55 8.46 7.98 2bn7A1 ARG 302 HA 0.01 0.02 0.51 -0.75 4.34 4.13 2bn7A1 ARG 302 HB2 -0.01 0.00 0.12 -0.04 1.90 1.97 2bn7A1 ARG 302 HB3 -0.03 0.00 0.20 -0.04 1.80 1.93 2bn7A1 ARG 302 HG2 -0.02 0.01 -0.22 -0.04 1.67 1.41 2bn7A1 ARG 302 HG3 -0.00 -0.02 0.01 -0.04 1.67 1.62 2bn7A1 ARG 302 HD2 -0.01 -0.04 -0.02 -0.04 3.22 3.10 2bn7A1 ARG 302 HD3 -0.01 -0.04 0.00 -0.04 3.22 3.14 2bn7A1 LEU 303 H -0.06 0.38 -0.15 -0.55 8.37 7.99 2bn7A1 LEU 303 HA -0.03 0.02 0.28 -0.75 4.35 3.87 2bn7A1 LEU 303 HB2 -0.22 0.04 0.12 -0.04 1.64 1.54 2bn7A1 LEU 303 HB3 -0.13 -0.11 -0.02 -0.04 1.64 1.34 2bn7A1 LEU 303 HG -0.08 0.24 0.05 -0.04 1.64 1.80 2bn7A1 LEU 303 HD13 -0.12 -0.04 -0.04 -0.04 0.93 0.69 2bn7A1 LEU 303 HD23 -0.05 -0.02 -0.05 -0.04 0.89 0.74 2bn7A1 TYR 304 H 0.03 0.52 -0.15 -0.55 8.29 8.13 2bn7A1 TYR 304 HA 0.02 -0.11 0.26 -0.75 4.56 3.98 2bn7A1 TYR 304 HB2 0.01 0.11 0.02 -0.04 3.06 3.16 2bn7A1 TYR 304 HB3 0.03 -0.05 -0.20 -0.04 2.98 2.73 2bn7A1 TYR 304 HD2 0.02 0.01 -0.18 -0.04 7.15 6.96 2bn7A1 TYR 304 HE2 0.01 -0.06 -0.22 -0.04 6.85 6.53 2bn7A1 ARG 305 H 0.21 0.20 0.19 -0.55 8.46 8.50 2bn7A1 ARG 305 HA 0.09 0.21 0.44 -0.75 4.34 4.32 2bn7A1 ARG 305 HB2 0.06 0.03 -0.05 -0.04 1.90 1.90 2bn7A1 ARG 305 HB3 0.06 0.15 -0.27 -0.04 1.80 1.70 2bn7A1 ARG 305 HG2 0.06 0.04 -0.07 -0.04 1.67 1.66 2bn7A1 ARG 305 HG3 0.06 0.13 -0.30 -0.04 1.67 1.52 2bn7A1 ARG 305 HD2 0.03 -0.12 -0.05 -0.04 3.22 3.04 2bn7A1 ARG 305 HD3 0.03 0.02 -0.03 -0.04 3.22 3.20 2bn7A1 PRO 306 HA 0.08 0.13 0.40 -0.51 4.44 4.54 2bn7A1 PRO 306 HB2 0.05 -0.00 0.06 -0.04 2.28 2.35 2bn7A1 PRO 306 HB3 0.06 -0.01 0.12 -0.04 2.02 2.16 2bn7A1 PRO 306 HG2 0.05 0.13 0.07 -0.04 2.03 2.23 2bn7A1 PRO 306 HG3 0.06 -0.04 -0.05 -0.04 2.03 1.95 2bn7A1 PRO 306 HD2 0.05 0.08 -0.03 -0.04 3.68 3.74 2bn7A1 PRO 306 HD3 0.06 0.24 0.12 -0.04 3.65 4.03 2bn7A1 GLY 307 H 0.08 0.44 0.32 -0.55 8.43 8.73 2bn7A1 GLY 307 HA2 0.06 -0.05 0.40 -0.51 4.01 3.91 2bn7A1 GLY 307 HA3 0.05 0.14 0.69 -0.51 4.01 4.39 2bn7A1 THR 308 H 0.09 0.35 -0.23 -0.55 8.28 7.94 2bn7A1 THR 308 HA 0.06 0.14 0.85 -0.75 4.39 4.68 2bn7A1 THR 308 HB 0.04 0.09 0.02 -0.04 4.32 4.44 2bn7A1 THR 308 HG23 0.12 0.08 -0.06 -0.04 1.22 1.32 2bn7A1 SER 309 H 0.08 0.14 0.20 -0.55 8.46 8.32 2bn7A1 SER 309 HA 0.17 0.25 0.65 -0.75 4.49 4.81 2bn7A1 SER 309 HB2 0.11 0.14 -0.04 -0.04 3.95 4.12 2bn7A1 SER 309 HB3 0.10 0.16 -0.37 -0.04 3.93 3.77 2bn7A1 ILE 310 H 0.13 0.37 0.17 -0.55 8.25 8.36 2bn7A1 ILE 310 HA 0.29 0.05 0.49 -0.75 4.18 4.26 2bn7A1 ILE 310 HB 0.00 0.21 0.25 -0.04 1.89 2.31 2bn7A1 ILE 310 HG12 -0.00 0.01 -0.02 -0.04 1.49 1.43 2bn7A1 ILE 310 HG13 0.01 -0.01 0.04 -0.04 1.21 1.21 2bn7A1 ILE 310 HG23 0.01 0.01 -0.03 -0.04 0.93 0.88 2bn7A1 ILE 310 HD13 -0.41 0.03 -0.07 -0.04 0.88 0.38 2bn7A1 LEU 311 H 0.05 0.50 -0.03 -0.55 8.37 8.34 2bn7A1 LEU 311 HA 0.01 0.06 0.40 -0.75 4.35 4.08 2bn7A1 LEU 311 HB2 0.02 0.25 -0.20 -0.04 1.64 1.67 2bn7A1 LEU 311 HB3 0.03 -0.07 -0.03 -0.04 1.64 1.53 2bn7A1 LEU 311 HG 0.01 -0.04 -0.26 -0.04 1.64 1.31 2bn7A1 LEU 311 HD13 0.00 0.01 0.04 -0.04 0.93 0.94 2bn7A1 LEU 311 HD23 0.02 0.00 -0.07 -0.04 0.89 0.80 2bn7A1 GLU 312 H 0.03 0.10 -0.30 -0.55 8.60 7.89 2bn7A1 GLU 312 HA -0.01 0.07 0.38 -0.75 4.29 3.98 2bn7A1 GLU 312 HB2 0.02 0.03 0.08 -0.04 2.09 2.18 2bn7A1 GLU 312 HB3 0.01 -0.08 0.16 -0.04 1.99 2.05 2bn7A1 GLU 312 HG2 -0.03 0.04 -0.18 -0.04 2.34 2.13 2bn7A1 GLU 312 HG3 -0.01 -0.03 0.04 -0.04 2.34 2.30 2bn7A1 VAL 313 H -0.05 0.54 -0.04 -0.55 8.24 8.14 2bn7A1 VAL 313 HA -0.16 0.05 0.53 -0.75 4.13 3.80 2bn7A1 VAL 313 HB -0.35 0.08 0.12 -0.04 2.12 1.92 2bn7A1 VAL 313 HG13 -0.59 0.00 -0.03 -0.04 0.97 0.31 2bn7A1 VAL 313 HG23 -0.48 0.01 -0.04 -0.04 0.95 0.41 2bn7A1 THR 314 H -0.02 0.59 -0.17 -0.55 8.28 8.12 2bn7A1 THR 314 HA -0.00 -0.01 0.50 -0.75 4.39 4.12 2bn7A1 THR 314 HB 0.01 0.20 0.20 -0.04 4.32 4.69 2bn7A1 THR 314 HG23 0.06 -0.02 -0.07 -0.04 1.22 1.15 2bn7A1 GLY 315 H -0.03 0.43 -0.26 -0.55 8.43 8.02 2bn7A1 GLY 315 HA2 -0.05 0.01 0.44 -0.51 4.01 3.89 2bn7A1 GLY 315 HA3 -0.04 0.10 0.30 -0.51 4.01 3.87 2bn7A1 GLU 316 H -0.07 0.36 -0.25 -0.55 8.60 8.09 2bn7A1 GLU 316 HA -0.07 0.02 0.55 -0.75 4.29 4.03 2bn7A1 GLU 316 HB2 -0.10 0.21 0.14 -0.04 2.09 2.30 2bn7A1 GLU 316 HB3 -0.08 -0.05 0.02 -0.04 1.99 1.84 2bn7A1 GLU 316 HG2 -0.07 0.14 0.10 -0.04 2.34 2.47 2bn7A1 GLU 316 HG3 -0.07 0.02 0.03 -0.04 2.34 2.27 2bn7A1 VAL 317 H -0.09 0.42 -0.12 -0.55 8.24 7.90 2bn7A1 VAL 317 HA -0.13 0.02 0.53 -0.75 4.13 3.79 2bn7A1 VAL 317 HB -0.08 0.14 0.22 -0.04 2.12 2.36 2bn7A1 VAL 317 HG13 -0.27 -0.02 -0.08 -0.04 0.97 0.56 2bn7A1 VAL 317 HG23 -0.11 0.04 0.07 -0.04 0.95 0.91 2bn7A1 VAL 318 H -0.11 0.65 -0.05 -0.55 8.24 8.18 2bn7A1 VAL 318 HA -0.28 0.02 0.46 -0.75 4.13 3.58 2bn7A1 VAL 318 HB -0.16 0.13 0.16 -0.04 2.12 2.21 2bn7A1 VAL 318 HG13 -0.36 -0.03 -0.06 -0.04 0.97 0.48 2bn7A1 VAL 318 HG23 -0.34 0.06 0.04 -0.04 0.95 0.67 2bn7A1 ARG 319 H -0.10 0.43 -0.30 -0.55 8.46 7.93 2bn7A1 ARG 319 HA -0.07 -0.02 0.48 -0.75 4.34 3.98 2bn7A1 ARG 319 HB2 -0.06 0.03 0.11 -0.04 1.90 1.95 2bn7A1 ARG 319 HB3 -0.07 0.20 0.18 -0.04 1.80 2.07 2bn7A1 ARG 319 HG2 -0.05 0.02 -0.26 -0.04 1.67 1.34 2bn7A1 ARG 319 HG3 -0.04 -0.10 -0.02 -0.04 1.67 1.47 2bn7A1 ARG 319 HD2 -0.04 0.05 -0.00 -0.04 3.22 3.19 2bn7A1 ARG 319 HD3 -0.04 -0.03 -0.03 -0.04 3.22 3.08 2bn7A1 ILE 320 H -0.10 0.55 -0.05 -0.55 8.25 8.10 2bn7A1 ILE 320 HA -0.08 -0.01 0.46 -0.75 4.18 3.80 2bn7A1 ILE 320 HB -0.12 0.12 0.19 -0.04 1.89 2.04 2bn7A1 ILE 320 HG12 -0.08 -0.06 0.01 -0.04 1.49 1.32 2bn7A1 ILE 320 HG13 -0.08 0.10 0.10 -0.04 1.21 1.28 2bn7A1 ILE 320 HG23 -0.11 -0.03 -0.12 -0.04 0.93 0.63 2bn7A1 ILE 320 HD13 -0.09 -0.02 -0.14 -0.04 0.88 0.59 2bn7A1 MET 321 H -0.13 0.64 -0.21 -0.55 8.47 8.23 2bn7A1 MET 321 HA -0.12 0.01 0.38 -0.75 4.52 4.03 2bn7A1 MET 321 HB2 -0.12 0.08 0.19 -0.04 2.15 2.26 2bn7A1 MET 321 HB3 -0.04 -0.04 -0.04 -0.04 2.03 1.87 2bn7A1 MET 321 HG2 -0.21 -0.05 -0.06 -0.04 2.63 2.27 2bn7A1 MET 321 HG3 -0.23 0.06 0.00 -0.04 2.56 2.35 2bn7A1 MET 321 HE3 -1.03 -0.00 -0.02 -0.04 2.10 1.01 2bn7A1 VAL 322 H -0.06 0.72 0.00 -0.55 8.24 8.34 2bn7A1 VAL 322 HA 0.01 0.01 0.34 -0.75 4.13 3.73 2bn7A1 VAL 322 HB -0.03 0.10 0.13 -0.04 2.12 2.29 2bn7A1 VAL 322 HG13 0.01 -0.02 -0.15 -0.04 0.97 0.78 2bn7A1 VAL 322 HG23 0.05 0.02 -0.04 -0.04 0.95 0.94 2bn7A1 SER 323 H -0.06 0.60 -0.27 -0.55 8.46 8.18 2bn7A1 SER 323 HA -0.04 -0.04 0.44 -0.75 4.49 4.10 2bn7A1 SER 323 HB2 -0.06 0.12 0.14 -0.04 3.95 4.11 2bn7A1 SER 323 HB3 -0.04 -0.07 0.01 -0.04 3.93 3.79 2bn7A1 GLY 324 H -0.08 0.63 -0.05 -0.55 8.43 8.39 2bn7A1 GLY 324 HA2 -0.08 -0.00 0.47 -0.51 4.01 3.89 2bn7A1 GLY 324 HA3 -0.11 0.09 0.35 -0.51 4.01 3.83 2bn7A1 LEU 325 H -0.10 0.60 -0.20 -0.55 8.37 8.12 2bn7A1 LEU 325 HA -0.22 0.03 0.39 -0.75 4.35 3.80 2bn7A1 LEU 325 HB2 -0.08 0.09 0.05 -0.04 1.64 1.66 2bn7A1 LEU 325 HB3 -0.19 -0.11 -0.08 -0.04 1.64 1.22 2bn7A1 LEU 325 HG -0.15 0.17 0.02 -0.04 1.64 1.63 2bn7A1 LEU 325 HD13 -0.08 -0.01 -0.15 -0.04 0.93 0.65 2bn7A1 LEU 325 HD23 -0.38 -0.01 -0.07 -0.04 0.89 0.39 2bn7A1 VAL 326 H -0.06 0.54 -0.16 -0.55 8.24 8.01 2bn7A1 VAL 326 HA -0.04 0.22 0.57 -0.75 4.13 4.12 2bn7A1 VAL 326 HB -0.03 0.09 0.15 -0.04 2.12 2.29 2bn7A1 VAL 326 HG13 -0.02 -0.02 -0.08 -0.04 0.97 0.81 2bn7A1 VAL 326 HG23 -0.01 0.02 -0.14 -0.04 0.95 0.77 2bn7A1 LYS 327 H -0.06 0.48 -0.13 -0.55 8.42 8.16 2bn7A1 LYS 327 HA -0.03 0.02 0.47 -0.75 4.32 4.03 2bn7A1 LYS 327 HB2 -0.06 0.15 0.17 -0.04 1.87 2.10 2bn7A1 LYS 327 HB3 -0.04 -0.05 0.03 -0.04 1.79 1.69 2bn7A1 LYS 327 HG2 -0.03 -0.05 0.06 -0.04 1.46 1.40 2bn7A1 LYS 327 HG3 -0.04 0.08 0.09 -0.04 1.46 1.55 2bn7A1 LYS 327 HD2 -0.04 0.02 -0.01 -0.04 1.69 1.61 2bn7A1 LYS 327 HD3 -0.03 -0.03 0.01 -0.04 1.68 1.59 2bn7A1 LYS 327 HE2 -0.03 -0.03 -0.01 -0.04 2.99 2.89 2bn7A1 LYS 327 HE3 -0.02 -0.03 0.01 -0.04 2.99 2.90 2bn7A1 LEU 328 H -0.10 0.26 -0.34 -0.55 8.37 7.64 2bn7A1 LEU 328 HA -0.01 0.10 0.70 -0.75 4.35 4.39 2bn7A1 LEU 328 HB2 -0.31 -0.00 0.08 -0.04 1.64 1.36 2bn7A1 LEU 328 HB3 -0.36 -0.07 0.08 -0.04 1.64 1.25 2bn7A1 LEU 328 HG -0.15 0.25 0.02 -0.04 1.64 1.72 2bn7A1 LEU 328 HD13 -0.40 0.00 -0.15 -0.04 0.93 0.34 2bn7A1 LEU 328 HD23 -0.01 -0.01 -0.06 -0.04 0.89 0.77 2bn7A1 GLY 329 H -0.05 0.33 -0.34 -0.55 8.43 7.83 2bn7A1 GLY 329 HA2 -0.01 0.12 0.34 -0.51 4.01 3.95 2bn7A1 GLY 329 HA3 0.02 0.02 0.58 -0.51 4.01 4.12 2bn7A1 ILE 330 H -0.14 0.24 -0.08 -0.55 8.25 7.72 2bn7A1 ILE 330 HA -0.06 0.07 0.61 -0.75 4.18 4.03 2bn7A1 ILE 330 HB -0.33 -0.01 0.10 -0.04 1.89 1.61 2bn7A1 ILE 330 HG12 -0.19 -0.02 -0.06 -0.04 1.49 1.18 2bn7A1 ILE 330 HG13 -0.33 0.03 -0.18 -0.04 1.21 0.69 2bn7A1 ILE 330 HG23 -0.64 -0.01 -0.13 -0.04 0.93 0.11 2bn7A1 ILE 330 HD13 -0.86 -0.01 -0.06 -0.04 0.88 -0.09 2bn7A1 LEU 331 H -0.08 0.32 -0.18 -0.55 8.37 7.88 2bn7A1 LEU 331 HA 0.05 0.22 0.70 -0.75 4.35 4.56 2bn7A1 LEU 331 HB2 -0.01 -0.06 -0.24 -0.04 1.64 1.29 2bn7A1 LEU 331 HB3 0.04 -0.04 -0.11 -0.04 1.64 1.49 2bn7A1 LEU 331 HG 0.00 -0.05 -0.29 -0.04 1.64 1.26 2bn7A1 LEU 331 HD13 0.09 -0.01 -0.20 -0.04 0.93 0.76 2bn7A1 LEU 331 HD23 0.23 0.09 -0.02 -0.04 0.89 1.15 2bn7A1 LYS 332 H 0.03 0.23 0.06 -0.55 8.42 8.19 2bn7A1 LYS 332 HA 0.01 0.15 0.83 -0.75 4.32 4.55 2bn7A1 LYS 332 HB2 0.02 -0.02 0.05 -0.04 1.87 1.88 2bn7A1 LYS 332 HB3 0.01 -0.03 0.02 -0.04 1.79 1.75 2bn7A1 LYS 332 HG2 0.01 0.20 -0.42 -0.04 1.46 1.21 2bn7A1 LYS 332 HG3 0.03 0.03 -0.33 -0.04 1.46 1.15 2bn7A1 LYS 332 HD2 0.02 -0.02 -0.05 -0.04 1.69 1.60 2bn7A1 LYS 332 HD3 0.01 -0.07 -0.03 -0.04 1.68 1.55 2bn7A1 LYS 332 HE2 0.02 0.19 -0.03 -0.04 2.99 3.13 2bn7A1 LYS 332 HE3 0.02 -0.07 -0.02 -0.04 2.99 2.88 2bn7A1 GLY 333 H 0.00 0.26 0.13 -0.55 8.43 8.28 2bn7A1 GLY 333 HA2 0.01 0.02 0.23 -0.51 4.01 3.76 2bn7A1 GLY 333 HA3 0.01 0.20 0.88 -0.51 4.01 4.59 2bn7A1 ASP 334 H 0.01 0.15 0.14 -0.55 8.40 8.15 2bn7A1 ASP 334 HA -0.00 0.14 0.65 -0.75 4.63 4.67 2bn7A1 ASP 334 HB2 0.00 0.11 0.13 -0.04 2.71 2.91 2bn7A1 ASP 334 HB3 0.00 -0.03 0.16 -0.04 2.70 2.80 2bn7A1 VAL 335 H -0.00 0.21 0.18 -0.55 8.24 8.08 2bn7A1 VAL 335 HA -0.00 0.14 0.23 -0.75 4.13 3.74 2bn7A1 VAL 335 HB -0.01 -0.04 0.14 -0.04 2.12 2.16 2bn7A1 VAL 335 HG13 -0.02 0.02 -0.16 -0.04 0.97 0.76 2bn7A1 VAL 335 HG23 -0.02 0.05 0.01 -0.04 0.95 0.95 2bn7A1 ASP 336 H -0.00 0.10 -0.08 -0.55 8.40 7.87 2bn7A1 ASP 336 HA -0.00 0.13 0.41 -0.75 4.63 4.41 2bn7A1 ASP 336 HB2 -0.00 -0.04 0.05 -0.04 2.71 2.68 2bn7A1 ASP 336 HB3 -0.00 0.07 -0.01 -0.04 2.70 2.72 2bn7A1 GLU 337 H 0.00 0.03 -0.30 -0.55 8.60 7.78 2bn7A1 GLU 337 HA 0.01 0.10 0.51 -0.75 4.29 4.16 2bn7A1 GLU 337 HB2 0.01 0.03 0.12 -0.04 2.09 2.20 2bn7A1 GLU 337 HB3 0.01 0.07 -0.00 -0.04 1.99 2.02 2bn7A1 GLU 337 HG2 0.00 0.06 0.02 -0.04 2.34 2.38 2bn7A1 GLU 337 HG3 0.00 -0.10 0.01 -0.04 2.34 2.22 2bn7A1 LEU 338 H 0.01 0.63 -0.09 -0.55 8.37 8.38 2bn7A1 LEU 338 HA 0.03 0.06 0.40 -0.75 4.35 4.08 2bn7A1 LEU 338 HB2 0.02 0.09 0.04 -0.04 1.64 1.75 2bn7A1 LEU 338 HB3 0.05 -0.06 -0.11 -0.04 1.64 1.48 2bn7A1 LEU 338 HG 0.02 -0.01 -0.13 -0.04 1.64 1.48 2bn7A1 LEU 338 HD13 0.02 -0.03 -0.51 -0.04 0.93 0.37 2bn7A1 LEU 338 HD23 0.04 0.06 -0.05 -0.04 0.89 0.89 2bn7A1 ILE 339 H 0.02 0.59 -0.17 -0.55 8.25 8.14 2bn7A1 ILE 339 HA 0.06 -0.03 0.48 -0.75 4.18 3.94 2bn7A1 ILE 339 HB 0.00 0.08 0.16 -0.04 1.89 2.09 2bn7A1 ILE 339 HG12 -0.03 -0.01 -0.09 -0.04 1.49 1.32 2bn7A1 ILE 339 HG13 -0.00 0.05 0.03 -0.04 1.21 1.25 2bn7A1 ILE 339 HG23 -0.01 -0.00 -0.15 -0.04 0.93 0.73 2bn7A1 ILE 339 HD13 -0.03 -0.03 -0.08 -0.04 0.88 0.71 2bn7A1 ALA 340 H 0.02 0.48 -0.14 -0.55 8.40 8.22 2bn7A1 ALA 340 HA 0.02 0.02 0.44 -0.75 4.34 4.07 2bn7A1 ALA 340 HB3 0.01 0.01 0.14 -0.04 1.41 1.53 2bn7A1 GLN 341 H 0.03 0.39 -0.33 -0.55 8.47 8.01 2bn7A1 GLN 341 HA 0.01 0.10 0.64 -0.75 4.36 4.36 2bn7A1 GLN 341 HB2 0.03 0.01 0.09 -0.04 2.15 2.23 2bn7A1 GLN 341 HB3 0.01 -0.03 0.12 -0.04 2.02 2.07 2bn7A1 GLN 341 HG2 0.01 -0.03 -0.00 -0.04 2.40 2.33 2bn7A1 GLN 341 HG3 0.01 0.03 -0.03 -0.04 2.39 2.36 2bn7A1 GLN 341 HE21 0.01 -0.05 -0.05 -0.04 6.97 6.84 2bn7A1 GLN 341 HE22 0.01 -0.01 -0.04 -0.04 7.69 7.61 2bn7A1 ASN 342 H 0.07 0.47 -0.50 -0.55 8.53 8.03 2bn7A1 ASN 342 HA 0.24 0.01 0.37 -0.75 4.76 4.63 2bn7A1 ASN 342 HB2 -0.03 0.13 0.07 -0.04 2.88 3.02 2bn7A1 ASN 342 HB3 -0.08 -0.09 0.23 -0.04 2.79 2.81 2bn7A1 ASN 342 HD21 0.02 -0.03 -0.03 -0.04 7.03 6.95 2bn7A1 ASN 342 HD22 0.01 0.02 -0.19 -0.04 7.74 7.53 2bn7A1 ALA 343 H 0.11 0.58 -0.05 -0.55 8.40 8.50 2bn7A1 ALA 343 HA 0.01 0.14 0.29 -0.75 4.34 4.02 2bn7A1 ALA 343 HB3 0.08 -0.02 0.03 -0.04 1.41 1.45 2bn7A1 HIS 344 H 0.34 0.05 -0.42 -0.55 8.41 7.83 2bn7A1 HIS 344 HA 0.24 0.10 0.54 -0.75 4.63 4.75 2bn7A1 HIS 344 HB2 0.15 0.01 0.04 -0.04 3.26 3.41 2bn7A1 HIS 344 HB3 0.08 -0.05 0.02 -0.04 3.20 3.21 2bn7A1 HIS 344 HD2 0.35 0.05 -0.07 -0.04 6.97 7.25 2bn7A1 HIS 344 HE1 0.02 0.01 0.04 -0.04 7.75 7.78 2bn7A1 ARG 345 H -0.40 0.50 -0.23 -0.55 8.46 7.78 2bn7A1 ARG 345 HA -0.37 0.23 0.11 -0.75 4.34 3.56 2bn7A1 ARG 345 HB2 -0.24 0.11 0.12 -0.04 1.90 1.85 2bn7A1 ARG 345 HB3 -0.22 -0.06 -0.01 -0.04 1.80 1.47 2bn7A1 ARG 345 HG2 -0.60 0.01 0.14 -0.04 1.67 1.18 2bn7A1 ARG 345 HG3 -0.21 -0.03 0.08 -0.04 1.67 1.47 2bn7A1 ARG 345 HD2 -0.45 0.19 0.06 -0.04 3.22 2.98 2bn7A1 ARG 345 HD3 -0.19 -0.07 0.02 -0.04 3.22 2.94 2bn7A1 PRO 346 HA -0.26 0.04 0.50 -0.51 4.44 4.21 2bn7A1 PRO 346 HB2 -1.45 0.04 -0.06 -0.04 2.28 0.78 2bn7A1 PRO 346 HB3 -0.48 -0.04 0.09 -0.04 2.02 1.56 2bn7A1 PRO 346 HG2 -0.30 0.07 0.03 -0.04 2.03 1.79 2bn7A1 PRO 346 HG3 -0.23 -0.01 0.04 -0.04 2.03 1.79 2bn7A1 PRO 346 HD2 -0.21 0.27 -0.37 -0.04 3.68 3.33 2bn7A1 PRO 346 HD3 -0.20 0.11 0.02 -0.04 3.65 3.55 2bn7A1 PHE 347 H -0.11 0.44 -0.40 -0.55 8.34 7.72 2bn7A1 PHE 347 HA 0.12 0.34 0.88 -0.75 4.62 5.20 2bn7A1 PHE 347 HB2 0.06 0.09 0.03 -0.04 3.15 3.28 2bn7A1 PHE 347 HB3 0.02 -0.14 0.01 -0.04 3.06 2.92 2bn7A1 PHE 347 HD2 0.04 0.09 -0.05 -0.04 7.28 7.32 2bn7A1 PHE 347 HE2 0.02 -0.02 -0.06 -0.04 7.38 7.28 2bn7A1 PHE 347 HZ 0.01 0.04 -0.06 -0.04 7.32 7.28 2bn7A1 PHE 348 H 0.18 0.37 -0.03 -0.55 8.34 8.31 2bn7A1 PHE 348 HA 0.12 0.06 0.69 -0.75 4.62 4.75 2bn7A1 PHE 348 HB2 0.04 0.14 0.03 -0.04 3.15 3.33 2bn7A1 PHE 348 HB3 0.19 -0.07 0.10 -0.04 3.06 3.24 2bn7A1 PHE 348 HD2 -0.00 -0.00 0.04 -0.04 7.28 7.27 2bn7A1 PHE 348 HE2 -0.24 0.03 -0.05 -0.04 7.38 7.08 2bn7A1 PHE 348 HZ -0.07 -0.09 -0.23 -0.04 7.32 6.89 2bn7A1 MET 349 H -0.01 0.11 -0.01 -0.55 8.47 8.01 2bn7A1 MET 349 HA -0.23 0.18 0.71 -0.75 4.52 4.43 2bn7A1 MET 349 HB2 -0.10 -0.07 0.12 -0.04 2.15 2.06 2bn7A1 MET 349 HB3 -0.08 0.27 -0.04 -0.04 2.03 2.14 2bn7A1 MET 349 HG2 -0.03 -0.05 -0.21 -0.04 2.63 2.30 2bn7A1 MET 349 HG3 -0.05 -0.03 -0.04 -0.04 2.56 2.40 2bn7A1 MET 349 HE3 0.11 -0.03 -0.24 -0.04 2.10 1.91 2bn7A1 HIS 350 H -0.77 0.10 -0.09 -0.55 8.41 7.11 2bn7A1 HIS 350 HA -0.20 0.17 0.81 -0.75 4.63 4.66 2bn7A1 HIS 350 HB2 -0.10 -0.06 0.09 -0.04 3.26 3.16 2bn7A1 HIS 350 HB3 -0.11 -0.01 -0.07 -0.04 3.20 2.96 2bn7A1 HIS 350 HD2 -0.04 -0.06 -0.12 -0.04 6.97 6.70 2bn7A1 HIS 350 HE1 0.35 0.42 -0.07 -0.04 7.75 8.40 2bn7A1 GLY 351 H 0.01 0.09 0.07 -0.55 8.43 8.05 2bn7A1 GLY 351 HA2 -0.12 0.08 0.50 -0.51 4.01 3.96 2bn7A1 GLY 351 HA3 -0.06 0.04 0.26 -0.51 4.01 3.74 2bn7A1 LEU 352 H 0.09 0.11 0.12 -0.55 8.37 8.15 2bn7A1 LEU 352 HA 0.33 0.15 0.27 -0.75 4.35 4.35 2bn7A1 LEU 352 HB2 0.22 0.01 0.09 -0.04 1.64 1.92 2bn7A1 LEU 352 HB3 0.13 -0.00 0.09 -0.04 1.64 1.81 2bn7A1 LEU 352 HG 0.17 0.01 -0.17 -0.04 1.64 1.61 2bn7A1 LEU 352 HD13 0.06 -0.00 -0.07 -0.04 0.93 0.87 2bn7A1 LEU 352 HD23 0.03 0.00 -0.10 -0.04 0.89 0.79 2bn7A1 SER 353 H 0.02 0.11 -0.16 -0.55 8.46 7.88 2bn7A1 SER 353 HA -0.07 0.17 0.72 -0.75 4.49 4.55 2bn7A1 SER 353 HB2 -0.03 -0.15 -0.02 -0.04 3.95 3.71 2bn7A1 SER 353 HB3 -0.15 0.05 -0.00 -0.04 3.93 3.79 2bn7A1 HIS 354 H -0.39 0.19 0.22 -0.55 8.41 7.88 2bn7A1 HIS 354 HA -0.10 0.10 0.52 -0.75 4.63 4.40 2bn7A1 HIS 354 HB2 0.05 0.02 0.16 -0.04 3.26 3.45 2bn7A1 HIS 354 HB3 -0.15 -0.01 0.03 -0.04 3.20 3.03 2bn7A1 HIS 354 HD2 -0.06 -0.00 -0.18 -0.04 6.97 6.68 2bn7A1 HIS 354 HE1 0.13 0.05 -0.12 -0.04 7.75 7.77 2bn7A1 TRP 355 H 0.00 0.10 0.12 -0.55 7.97 7.65 2bn7A1 TRP 355 HA -0.02 0.24 0.71 -0.75 4.62 4.79 2bn7A1 TRP 355 HB2 -0.03 0.01 -0.05 -0.04 3.23 3.12 2bn7A1 TRP 355 HB3 -0.09 0.09 0.05 -0.04 3.23 3.25 2bn7A1 TRP 355 HD1 -0.52 0.13 -0.29 -0.04 7.22 6.49 2bn7A1 TRP 355 HE1 -0.96 -0.02 -0.65 -0.04 10.20 8.53 2bn7A1 TRP 355 HE3 -0.13 0.18 -0.05 -0.04 7.59 7.56 2bn7A1 TRP 355 HZ2 -0.20 0.07 -0.04 -0.04 7.44 7.22 2bn7A1 TRP 355 HZ3 -0.14 -0.03 -0.13 -0.04 7.13 6.79 2bn7A1 TRP 355 HH2 -0.08 0.02 -0.09 -0.04 7.19 6.99 2bn7A1 LEU 356 H 0.25 0.61 0.31 -0.55 8.37 8.99 2bn7A1 LEU 356 HA 0.24 0.29 0.93 -0.75 4.35 5.06 2bn7A1 LEU 356 HB2 0.14 -0.01 -0.22 -0.04 1.64 1.51 2bn7A1 LEU 356 HB3 0.12 -0.07 -0.14 -0.04 1.64 1.51 2bn7A1 LEU 356 HG 0.15 0.04 -0.16 -0.04 1.64 1.62 2bn7A1 LEU 356 HD13 0.20 0.00 -0.08 -0.04 0.93 1.01 2bn7A1 LEU 356 HD23 0.09 -0.01 -0.13 -0.04 0.89 0.79 2bn7A1 GLY 357 H 0.14 0.49 0.05 -0.55 8.43 8.56 2bn7A1 GLY 357 HA2 0.26 0.09 0.33 -0.51 4.01 4.17 2bn7A1 GLY 357 HA3 0.13 0.02 0.50 -0.51 4.01 4.15 2bn7A1 LEU 358 H -0.02 0.15 0.11 -0.55 8.37 8.06 2bn7A1 LEU 358 HA -0.30 0.31 0.49 -0.75 4.35 4.09 2bn7A1 LEU 358 HB2 -0.09 -0.11 0.05 -0.04 1.64 1.46 2bn7A1 LEU 358 HB3 -0.12 -0.01 0.07 -0.04 1.64 1.53 2bn7A1 LEU 358 HG -0.33 -0.03 0.00 -0.04 1.64 1.24 2bn7A1 LEU 358 HD13 0.18 0.00 0.01 -0.04 0.93 1.08 2bn7A1 LEU 358 HD23 -0.64 0.01 -0.15 -0.04 0.89 0.07 2bn7A1 ASP 359 H -0.01 0.02 -0.23 -0.55 8.40 7.64 2bn7A1 ASP 359 HA -0.03 0.23 0.59 -0.75 4.63 4.66 2bn7A1 ASP 359 HB2 -0.02 -0.11 -0.14 -0.04 2.71 2.41 2bn7A1 ASP 359 HB3 -0.02 0.06 -0.15 -0.04 2.70 2.55 2bn7A1 VAL 360 H -0.03 0.20 -0.01 -0.55 8.24 7.85 2bn7A1 VAL 360 HA 0.11 0.09 0.31 -0.75 4.13 3.88 2bn7A1 VAL 360 HB 0.11 0.06 -0.06 -0.04 2.12 2.19 2bn7A1 VAL 360 HG13 -0.37 -0.01 -0.04 -0.04 0.97 0.51 2bn7A1 VAL 360 HG23 -0.13 0.01 -0.18 -0.04 0.95 0.61 2bn7A1 HIS 361 H -0.21 0.05 -0.14 -0.55 8.41 7.57 2bn7A1 HIS 361 HA -0.22 0.25 0.78 -0.75 4.63 4.68 2bn7A1 HIS 361 HB2 -0.12 -0.07 0.13 -0.04 3.26 3.16 2bn7A1 HIS 361 HB3 -0.12 0.02 0.02 -0.04 3.20 3.08 2bn7A1 HIS 361 HD2 -0.16 -0.03 -0.02 -0.04 6.97 6.71 2bn7A1 HIS 361 HE1 -0.23 0.04 -0.14 -0.04 7.75 7.37 2bn7A1 ASP 362 H 0.29 0.69 -0.14 -0.55 8.40 8.69 2bn7A1 ASP 362 HA 0.06 -0.11 -0.04 -0.75 4.63 3.79 2bn7A1 ASP 362 HB2 0.18 0.10 -0.41 -0.04 2.71 2.53 2bn7A1 ASP 362 HB3 0.20 0.06 -0.36 -0.04 2.70 2.56 2bn7A1 VAL 363 H -0.07 -0.02 0.05 -0.55 8.24 7.65 2bn7A1 VAL 363 HA -0.03 0.09 0.46 -0.75 4.13 3.91 2bn7A1 VAL 363 HB -0.53 -0.09 0.07 -0.04 2.12 1.53 2bn7A1 VAL 363 HG13 -0.54 -0.01 0.01 -0.04 0.97 0.38 2bn7A1 VAL 363 HG23 -0.21 0.03 -0.09 -0.04 0.95 0.64 2bn7A1 GLY 364 H 0.03 -0.01 0.01 -0.55 8.43 7.92 2bn7A1 GLY 364 HA2 -0.08 -0.05 0.19 -0.51 4.01 3.56 2bn7A1 GLY 364 HA3 -0.45 0.31 0.74 -0.51 4.01 4.10 2bn7A1 VAL 365 H 0.01 0.15 0.08 -0.55 8.24 7.92 2bn7A1 VAL 365 HA 0.19 -0.00 0.52 -0.75 4.13 4.08 2bn7A1 VAL 365 HB 0.08 0.08 0.14 -0.04 2.12 2.38 2bn7A1 VAL 365 HG13 0.13 -0.01 -0.09 -0.04 0.97 0.96 2bn7A1 VAL 365 HG23 0.09 0.00 0.03 -0.04 0.95 1.04 2bn7A1 TYR 366 H 0.37 0.10 0.22 -0.55 8.29 8.43 2bn7A1 TYR 366 HA 0.43 0.22 0.62 -0.75 4.56 5.08 2bn7A1 TYR 366 HB2 0.05 -0.04 0.15 -0.04 3.06 3.18 2bn7A1 TYR 366 HB3 -0.04 -0.08 0.08 -0.04 2.98 2.90 2bn7A1 TYR 366 HD2 -0.27 -0.05 0.06 -0.04 7.15 6.85 2bn7A1 TYR 366 HE2 -0.55 0.02 -0.01 -0.04 6.85 6.27 2bn7A1 GLY 367 H 0.21 -0.01 -0.08 -0.55 8.43 8.00 2bn7A1 GLY 367 HA2 0.12 0.05 0.32 -0.51 4.01 3.98 2bn7A1 GLY 367 HA3 0.13 0.13 0.60 -0.51 4.01 4.36 2bn7A1 GLN 368 H 0.07 0.17 0.10 -0.55 8.47 8.26 2bn7A1 GLN 368 HA 0.04 0.03 0.46 -0.75 4.36 4.14 2bn7A1 GLN 368 HB2 0.04 0.02 0.13 -0.04 2.15 2.29 2bn7A1 GLN 368 HB3 0.04 0.03 0.12 -0.04 2.02 2.16 2bn7A1 GLN 368 HG2 0.02 0.05 -0.20 -0.04 2.40 2.22 2bn7A1 GLN 368 HG3 0.01 -0.02 0.04 -0.04 2.39 2.39 2bn7A1 GLN 368 HE21 0.01 0.02 -0.01 -0.04 6.97 6.95 2bn7A1 GLN 368 HE22 0.01 0.01 -0.02 -0.04 7.69 7.64 2bn7A1 ASP 369 H -0.00 0.14 0.19 -0.55 8.40 8.18 2bn7A1 ASP 369 HA -0.04 0.05 0.31 -0.75 4.63 4.19 2bn7A1 ASP 369 HB2 0.01 0.12 -0.08 -0.04 2.71 2.72 2bn7A1 ASP 369 HB3 -0.01 0.03 0.17 -0.04 2.70 2.85 2bn7A1 ARG 370 H 0.02 0.39 -0.41 -0.55 8.46 7.91 2bn7A1 ARG 370 HA 0.12 0.20 0.20 -0.75 4.34 4.10 2bn7A1 ARG 370 HB2 -0.05 0.08 0.15 -0.04 1.90 2.05 2bn7A1 ARG 370 HB3 -0.04 -0.01 0.19 -0.04 1.80 1.90 2bn7A1 ARG 370 HG2 -0.32 0.00 -0.02 -0.04 1.67 1.30 2bn7A1 ARG 370 HG3 -0.18 -0.08 -0.38 -0.04 1.67 0.99 2bn7A1 ARG 370 HD2 -0.24 -0.03 0.01 -0.04 3.22 2.91 2bn7A1 ARG 370 HD3 -0.72 0.06 0.04 -0.04 3.22 2.55 2bn7A1 SER 371 H 0.07 0.22 -0.42 -0.55 8.46 7.79 2bn7A1 SER 371 HA 0.06 -0.05 0.43 -0.75 4.49 4.18 2bn7A1 SER 371 HB2 0.05 -0.05 0.06 -0.04 3.95 3.97 2bn7A1 SER 371 HB3 0.04 0.08 -0.00 -0.04 3.93 4.00 2bn7A1 ARG 372 H 0.15 0.41 -0.12 -0.55 8.46 8.36 2bn7A1 ARG 372 HA 0.12 -0.07 0.34 -0.75 4.34 3.98 2bn7A1 ARG 372 HB2 0.20 -0.14 -0.30 -0.04 1.90 1.62 2bn7A1 ARG 372 HB3 0.30 0.03 -0.04 -0.04 1.80 2.05 2bn7A1 ARG 372 HG2 0.18 0.25 -0.33 -0.04 1.67 1.74 2bn7A1 ARG 372 HG3 0.14 -0.11 -0.02 -0.04 1.67 1.63 2bn7A1 ARG 372 HD2 0.17 -0.13 -0.15 -0.04 3.22 3.06 2bn7A1 ARG 372 HD3 0.22 0.08 -0.05 -0.04 3.22 3.42 2bn7A1 ILE 373 H 0.11 0.01 0.16 -0.55 8.25 7.99 2bn7A1 ILE 373 HA 0.11 0.19 0.40 -0.75 4.18 4.13 2bn7A1 ILE 373 HB 0.09 -0.08 0.11 -0.04 1.89 1.97 2bn7A1 ILE 373 HG12 0.07 -0.09 0.10 -0.04 1.49 1.53 2bn7A1 ILE 373 HG13 0.06 -0.02 0.05 -0.04 1.21 1.26 2bn7A1 ILE 373 HG23 0.08 0.04 -0.06 -0.04 0.93 0.95 2bn7A1 ILE 373 HD13 0.07 0.06 -0.07 -0.04 0.88 0.90 2bn7A1 LEU 374 H 0.13 0.66 0.35 -0.55 8.37 8.97 2bn7A1 LEU 374 HA 0.14 0.07 0.55 -0.75 4.35 4.36 2bn7A1 LEU 374 HB2 0.14 0.06 0.06 -0.04 1.64 1.86 2bn7A1 LEU 374 HB3 0.11 0.01 -0.06 -0.04 1.64 1.66 2bn7A1 LEU 374 HG 0.19 0.09 0.04 -0.04 1.64 1.92 2bn7A1 LEU 374 HD13 0.22 -0.03 -0.22 -0.04 0.93 0.86 2bn7A1 LEU 374 HD23 0.26 -0.01 -0.09 -0.04 0.89 1.01 2bn7A1 GLU 375 H 0.06 0.22 0.20 -0.55 8.60 8.53 2bn7A1 GLU 375 HA 0.10 0.14 0.77 -0.75 4.29 4.55 2bn7A1 GLU 375 HB2 0.36 -0.00 -0.00 -0.04 2.09 2.40 2bn7A1 GLU 375 HB3 0.19 0.05 0.08 -0.04 1.99 2.27 2bn7A1 GLU 375 HG2 0.11 0.02 -0.10 -0.04 2.34 2.33 2bn7A1 GLU 375 HG3 0.14 0.06 -0.44 -0.04 2.34 2.07 2bn7A1 PRO 376 HA 0.05 0.13 0.18 -0.51 4.44 4.30 2bn7A1 PRO 376 HB2 0.07 0.01 -0.03 -0.04 2.28 2.28 2bn7A1 PRO 376 HB3 0.05 -0.10 -0.15 -0.04 2.02 1.78 2bn7A1 PRO 376 HG2 0.05 -0.00 0.02 -0.04 2.03 2.05 2bn7A1 PRO 376 HG3 0.05 0.18 -0.19 -0.04 2.03 2.03 2bn7A1 PRO 376 HD2 0.09 0.08 0.17 -0.04 3.68 3.98 2bn7A1 PRO 376 HD3 0.07 0.15 0.17 -0.04 3.65 4.00 2bn7A1 GLY 377 H 0.03 0.61 0.29 -0.55 8.43 8.81 2bn7A1 GLY 377 HA2 0.03 -0.01 0.40 -0.51 4.01 3.92 2bn7A1 GLY 377 HA3 0.14 0.14 0.73 -0.51 4.01 4.52 2bn7A1 MET 378 H -0.11 0.33 -0.10 -0.55 8.47 8.05 2bn7A1 MET 378 HA -0.41 0.39 0.86 -0.75 4.52 4.60 2bn7A1 MET 378 HB2 -0.10 -0.03 0.17 -0.04 2.15 2.14 2bn7A1 MET 378 HB3 -0.19 -0.01 0.04 -0.04 2.03 1.83 2bn7A1 MET 378 HG2 -1.05 0.11 0.04 -0.04 2.63 1.69 2bn7A1 MET 378 HG3 -0.67 0.03 -0.01 -0.04 2.56 1.87 2bn7A1 MET 378 HE3 -0.27 0.01 -0.03 -0.04 2.10 1.77 2bn7A1 VAL 379 H -0.10 0.30 0.35 -0.55 8.24 8.25 2bn7A1 VAL 379 HA 0.01 0.22 1.13 -0.75 4.13 4.74 2bn7A1 VAL 379 HB 0.04 0.18 0.28 -0.04 2.12 2.58 2bn7A1 VAL 379 HG13 0.05 -0.01 -0.06 -0.04 0.97 0.91 2bn7A1 VAL 379 HG23 -0.01 0.00 -0.08 -0.04 0.95 0.83 2bn7A1 LEU 380 H 0.01 0.63 0.39 -0.55 8.37 8.86 2bn7A1 LEU 380 HA 0.10 0.21 0.95 -0.75 4.35 4.85 2bn7A1 LEU 380 HB2 -0.12 0.01 -0.02 -0.04 1.64 1.47 2bn7A1 LEU 380 HB3 0.22 -0.02 -0.32 -0.04 1.64 1.48 2bn7A1 LEU 380 HG -0.23 -0.01 -0.23 -0.04 1.64 1.14 2bn7A1 LEU 380 HD13 -0.59 0.01 -0.16 -0.04 0.93 0.15 2bn7A1 LEU 380 HD23 -0.03 -0.01 -0.26 -0.04 0.89 0.54 2bn7A1 THR 381 H -0.22 0.40 0.34 -0.55 8.28 8.26 2bn7A1 THR 381 HA -0.08 0.23 1.00 -0.75 4.39 4.80 2bn7A1 THR 381 HB -0.14 0.06 0.06 -0.04 4.32 4.26 2bn7A1 THR 381 HG23 -0.27 0.03 -0.06 -0.04 1.22 0.88 2bn7A1 VAL 382 H -0.01 0.61 0.29 -0.55 8.24 8.59 2bn7A1 VAL 382 HA 0.09 0.16 0.72 -0.75 4.13 4.35 2bn7A1 VAL 382 HB 0.06 -0.10 0.18 -0.04 2.12 2.22 2bn7A1 VAL 382 HG13 0.16 -0.00 -0.05 -0.04 0.97 1.04 2bn7A1 VAL 382 HG23 0.08 0.01 -0.29 -0.04 0.95 0.71 2bn7A1 GLU 383 H 0.11 0.69 0.17 -0.55 8.60 9.03 2bn7A1 GLU 383 HA 0.08 0.41 1.06 -0.75 4.29 5.09 2bn7A1 GLU 383 HB2 0.17 -0.03 -0.04 -0.04 2.09 2.15 2bn7A1 GLU 383 HB3 0.08 -0.07 -0.19 -0.04 1.99 1.76 2bn7A1 GLU 383 HG2 0.06 0.05 -0.15 -0.04 2.34 2.26 2bn7A1 GLU 383 HG3 0.25 0.08 -0.03 -0.04 2.34 2.61 2bn7A1 PRO 384 HA -0.21 0.06 0.60 -0.51 4.44 4.38 2bn7A1 PRO 384 HB2 -0.32 0.01 0.01 -0.04 2.28 1.95 2bn7A1 PRO 384 HB3 -0.29 -0.03 0.07 -0.04 2.02 1.73 2bn7A1 PRO 384 HG2 -0.12 0.07 0.11 -0.04 2.03 2.05 2bn7A1 PRO 384 HG3 -0.12 -0.07 -0.12 -0.04 2.03 1.68 2bn7A1 PRO 384 HD2 0.00 0.37 0.13 -0.04 3.68 4.14 2bn7A1 PRO 384 HD3 0.00 0.01 -0.04 -0.04 3.65 3.59 2bn7A1 GLY 385 H -0.55 0.25 0.23 -0.55 8.43 7.81 2bn7A1 GLY 385 HA2 -0.20 0.11 0.61 -0.51 4.01 4.03 2bn7A1 GLY 385 HA3 0.00 0.03 0.39 -0.51 4.01 3.93 2bn7A1 LEU 386 H -0.50 0.58 0.31 -0.55 8.37 8.21 2bn7A1 LEU 386 HA -0.19 0.37 0.79 -0.75 4.35 4.57 2bn7A1 LEU 386 HB2 -0.20 -0.07 0.06 -0.04 1.64 1.38 2bn7A1 LEU 386 HB3 -0.14 -0.01 -0.04 -0.04 1.64 1.41 2bn7A1 LEU 386 HG -0.24 -0.03 -0.41 -0.04 1.64 0.92 2bn7A1 LEU 386 HD13 -0.18 -0.01 -0.07 -0.04 0.93 0.63 2bn7A1 LEU 386 HD23 -0.03 0.03 -0.05 -0.04 0.89 0.81 2bn7A1 TYR 387 H 0.13 0.59 0.24 -0.55 8.29 8.70 2bn7A1 TYR 387 HA 0.10 0.19 1.01 -0.75 4.56 5.12 2bn7A1 TYR 387 HB2 0.12 0.03 0.15 -0.04 3.06 3.31 2bn7A1 TYR 387 HB3 0.09 -0.04 0.03 -0.04 2.98 3.02 2bn7A1 TYR 387 HD2 0.13 0.09 -0.12 -0.04 7.15 7.21 2bn7A1 TYR 387 HE2 0.23 -0.03 -0.24 -0.04 6.85 6.76 2bn7A1 ILE 388 H 0.15 0.86 0.23 -0.55 8.25 8.94 2bn7A1 ILE 388 HA 0.38 0.11 0.79 -0.75 4.18 4.70 2bn7A1 ILE 388 HB 0.12 0.07 0.21 -0.04 1.89 2.24 2bn7A1 ILE 388 HG12 0.03 0.08 -0.01 -0.04 1.49 1.54 2bn7A1 ILE 388 HG13 -0.02 -0.02 -0.04 -0.04 1.21 1.09 2bn7A1 ILE 388 HG23 0.14 -0.01 -0.20 -0.04 0.93 0.82 2bn7A1 ILE 388 HD13 -0.18 -0.01 -0.24 -0.04 0.88 0.41 2bn7A1 ALA 389 H 0.19 0.22 0.14 -0.55 8.40 8.40 2bn7A1 ALA 389 HA 0.09 0.14 0.36 -0.75 4.34 4.18 2bn7A1 ALA 389 HB3 0.06 0.02 0.07 -0.04 1.41 1.53 2bn7A1 PRO 390 HA 0.04 0.08 0.41 -0.51 4.44 4.46 2bn7A1 PRO 390 HB2 0.02 0.03 0.00 -0.04 2.28 2.29 2bn7A1 PRO 390 HB3 0.02 0.04 0.09 -0.04 2.02 2.13 2bn7A1 PRO 390 HG2 0.02 0.04 0.10 -0.04 2.03 2.14 2bn7A1 PRO 390 HG3 0.02 0.03 0.16 -0.04 2.03 2.19 2bn7A1 PRO 390 HD2 0.04 0.10 0.22 -0.04 3.68 4.00 2bn7A1 PRO 390 HD3 0.05 0.21 0.22 -0.04 3.65 4.10 2bn7A1 ASP 391 H 0.04 0.01 -0.45 -0.55 8.40 7.46 2bn7A1 ASP 391 HA 0.03 0.24 0.75 -0.75 4.63 4.90 2bn7A1 ASP 391 HB2 0.02 0.02 0.11 -0.04 2.71 2.82 2bn7A1 ASP 391 HB3 0.02 -0.03 -0.05 -0.04 2.70 2.60 2bn7A1 ALA 392 H 0.08 0.52 -0.25 -0.55 8.40 8.20 2bn7A1 ALA 392 HA 0.08 0.02 0.48 -0.75 4.34 4.17 2bn7A1 ALA 392 HB3 0.20 -0.01 0.01 -0.04 1.41 1.57 2bn7A1 GLU 393 H 0.09 0.12 0.10 -0.55 8.60 8.36 2bn7A1 GLU 393 HA 0.05 0.14 0.68 -0.75 4.29 4.40 2bn7A1 GLU 393 HB2 0.05 -0.03 0.21 -0.04 2.09 2.29 2bn7A1 GLU 393 HB3 0.05 -0.00 0.15 -0.04 1.99 2.14 2bn7A1 GLU 393 HG2 0.03 0.00 0.01 -0.04 2.34 2.34 2bn7A1 GLU 393 HG3 0.04 0.08 -0.04 -0.04 2.34 2.37 2bn7A1 VAL 394 H 0.07 0.55 -0.07 -0.55 8.24 8.24 2bn7A1 VAL 394 HA 0.07 0.23 0.69 -0.75 4.13 4.36 2bn7A1 VAL 394 HB 0.08 0.02 0.02 -0.04 2.12 2.21 2bn7A1 VAL 394 HG13 0.11 -0.01 -0.30 -0.04 0.97 0.73 2bn7A1 VAL 394 HG23 0.12 0.04 -0.32 -0.04 0.95 0.74 2bn7A1 PRO 395 HA 0.02 0.02 0.50 -0.51 4.44 4.47 2bn7A1 PRO 395 HB2 0.02 -0.06 0.03 -0.04 2.28 2.23 2bn7A1 PRO 395 HB3 -0.01 -0.02 0.10 -0.04 2.02 2.05 2bn7A1 PRO 395 HG2 0.18 0.22 0.05 -0.04 2.03 2.43 2bn7A1 PRO 395 HG3 0.07 0.03 0.07 -0.04 2.03 2.15 2bn7A1 PRO 395 HD2 0.21 0.05 0.02 -0.04 3.68 3.91 2bn7A1 PRO 395 HD3 0.08 0.31 0.11 -0.04 3.65 4.11 2bn7A1 GLU 396 H -0.04 0.12 0.20 -0.55 8.60 8.33 2bn7A1 GLU 396 HA -0.01 0.17 0.27 -0.75 4.29 3.96 2bn7A1 GLU 396 HB2 -0.02 0.03 0.17 -0.04 2.09 2.23 2bn7A1 GLU 396 HB3 -0.06 -0.06 0.14 -0.04 1.99 1.97 2bn7A1 GLU 396 HG2 -0.02 0.06 0.08 -0.04 2.34 2.42 2bn7A1 GLU 396 HG3 -0.02 -0.01 0.03 -0.04 2.34 2.30 2bn7A1 GLN 397 H -0.22 0.03 -0.25 -0.55 8.47 7.48 2bn7A1 GLN 397 HA -0.13 0.08 0.27 -0.75 4.36 3.82 2bn7A1 GLN 397 HB2 -0.25 -0.08 0.08 -0.04 2.15 1.86 2bn7A1 GLN 397 HB3 -0.22 -0.02 0.08 -0.04 2.02 1.81 2bn7A1 GLN 397 HG2 -1.55 0.11 -0.19 -0.04 2.40 0.73 2bn7A1 GLN 397 HG3 -0.65 -0.06 -0.06 -0.04 2.39 1.57 2bn7A1 GLN 397 HE21 -0.12 0.03 0.00 -0.04 6.97 6.84 2bn7A1 GLN 397 HE22 -0.30 0.01 -0.02 -0.04 7.69 7.33 2bn7A1 TYR 398 H -0.21 0.44 -0.34 -0.55 8.29 7.62 2bn7A1 TYR 398 HA -0.01 0.09 0.69 -0.75 4.56 4.58 2bn7A1 TYR 398 HB2 -0.04 0.11 -0.07 -0.04 3.06 3.02 2bn7A1 TYR 398 HB3 -0.05 -0.04 0.02 -0.04 2.98 2.86 2bn7A1 TYR 398 HD2 -0.03 0.07 -0.09 -0.04 7.15 7.05 2bn7A1 TYR 398 HE2 -0.03 0.09 -0.00 -0.04 6.85 6.87 2bn7A1 ARG 399 H 0.04 0.35 -0.18 -0.55 8.46 8.12 2bn7A1 ARG 399 HA 0.09 0.03 0.21 -0.75 4.34 3.93 2bn7A1 ARG 399 HB2 0.02 0.07 0.15 -0.04 1.90 2.10 2bn7A1 ARG 399 HB3 0.04 0.02 0.06 -0.04 1.80 1.88 2bn7A1 ARG 399 HG2 0.07 -0.01 -0.06 -0.04 1.67 1.63 2bn7A1 ARG 399 HG3 0.06 -0.02 -0.10 -0.04 1.67 1.57 2bn7A1 ARG 399 HD2 0.02 -0.09 0.08 -0.04 3.22 3.19 2bn7A1 ARG 399 HD3 0.04 0.14 0.06 -0.04 3.22 3.41 2bn7A1 GLY 400 H 0.08 0.35 -0.25 -0.55 8.43 8.06 2bn7A1 GLY 400 HA2 0.05 -0.06 0.30 -0.51 4.01 3.79 2bn7A1 GLY 400 HA3 0.03 -0.02 0.46 -0.51 4.01 3.97 2bn7A1 ILE 401 H 0.08 0.37 -0.12 -0.55 8.25 8.03 2bn7A1 ILE 401 HA 0.06 0.06 0.76 -0.75 4.18 4.30 2bn7A1 ILE 401 HB 0.09 0.11 0.11 -0.04 1.89 2.16 2bn7A1 ILE 401 HG12 0.07 -0.10 -0.11 -0.04 1.49 1.30 2bn7A1 ILE 401 HG13 0.07 0.16 -0.39 -0.04 1.21 1.01 2bn7A1 ILE 401 HG23 0.08 -0.03 -0.21 -0.04 0.93 0.72 2bn7A1 ILE 401 HD13 0.15 -0.02 -0.05 -0.04 0.88 0.91 2bn7A1 GLY 402 H 0.07 0.23 0.06 -0.55 8.43 8.25 2bn7A1 GLY 402 HA2 0.15 0.26 0.85 -0.51 4.01 4.76 2bn7A1 GLY 402 HA3 0.23 0.03 -0.13 -0.51 4.01 3.63 2bn7A1 ILE 403 H -0.16 0.75 0.19 -0.55 8.25 8.49 2bn7A1 ILE 403 HA 0.10 0.11 0.82 -0.75 4.18 4.46 2bn7A1 ILE 403 HB -0.07 -0.01 0.03 -0.04 1.89 1.80 2bn7A1 ILE 403 HG12 0.19 0.02 -0.14 -0.04 1.49 1.52 2bn7A1 ILE 403 HG13 0.08 -0.08 -0.61 -0.04 1.21 0.56 2bn7A1 ILE 403 HG23 0.04 -0.01 -0.18 -0.04 0.93 0.73 2bn7A1 ILE 403 HD13 0.18 -0.03 -0.13 -0.04 0.88 0.86 2bn7A1 ARG 404 H 0.13 0.24 0.08 -0.55 8.46 8.35 2bn7A1 ARG 404 HA 0.04 0.27 0.68 -0.75 4.34 4.58 2bn7A1 ARG 404 HB2 0.37 0.01 -0.11 -0.04 1.90 2.13 2bn7A1 ARG 404 HB3 0.20 -0.07 -0.08 -0.04 1.80 1.82 2bn7A1 ARG 404 HG2 0.15 -0.11 -0.35 -0.04 1.67 1.32 2bn7A1 ARG 404 HG3 0.20 0.26 -0.22 -0.04 1.67 1.87 2bn7A1 ARG 404 HD2 0.15 0.03 -0.17 -0.04 3.22 3.19 2bn7A1 ARG 404 HD3 0.31 -0.01 -0.17 -0.04 3.22 3.30 2bn7A1 ILE 405 H 0.01 0.60 0.10 -0.55 8.25 8.40 2bn7A1 ILE 405 HA 0.08 0.21 0.68 -0.75 4.18 4.40 2bn7A1 ILE 405 HB -0.07 -0.01 0.07 -0.04 1.89 1.84 2bn7A1 ILE 405 HG12 -0.00 0.03 -0.07 -0.04 1.49 1.41 2bn7A1 ILE 405 HG13 -0.16 -0.12 -0.47 -0.04 1.21 0.42 2bn7A1 ILE 405 HG23 0.04 0.00 0.02 -0.04 0.93 0.96 2bn7A1 ILE 405 HD13 -0.67 -0.01 -0.15 -0.04 0.88 0.01 2bn7A1 GLU 406 H 0.06 0.63 0.31 -0.55 8.60 9.05 2bn7A1 GLU 406 HA 0.05 0.49 1.23 -0.75 4.29 5.30 2bn7A1 GLU 406 HB2 0.09 0.02 -0.15 -0.04 2.09 2.01 2bn7A1 GLU 406 HB3 0.08 -0.23 0.12 -0.04 1.99 1.92 2bn7A1 GLU 406 HG2 0.05 0.13 -0.30 -0.04 2.34 2.18 2bn7A1 GLU 406 HG3 0.03 0.01 -0.15 -0.04 2.34 2.19 2bn7A1 ASP 407 H 0.03 0.55 0.39 -0.55 8.40 8.82 2bn7A1 ASP 407 HA 0.02 0.17 0.94 -0.75 4.63 5.00 2bn7A1 ASP 407 HB2 0.03 0.06 0.08 -0.04 2.71 2.83 2bn7A1 ASP 407 HB3 0.02 -0.06 0.01 -0.04 2.70 2.63 2bn7A1 ASP 408 H 0.02 0.06 0.21 -0.55 8.40 8.14 2bn7A1 ASP 408 HA -0.00 0.29 1.02 -0.75 4.63 5.18 2bn7A1 ASP 408 HB2 0.03 -0.13 0.10 -0.04 2.71 2.67 2bn7A1 ASP 408 HB3 0.04 0.10 -0.01 -0.04 2.70 2.79 2bn7A1 ILE 409 H -0.01 0.82 0.38 -0.55 8.25 8.89 2bn7A1 ILE 409 HA 0.01 0.21 1.18 -0.75 4.18 4.82 2bn7A1 ILE 409 HB 0.01 0.02 -0.11 -0.04 1.89 1.76 2bn7A1 ILE 409 HG12 -0.10 0.12 -0.13 -0.04 1.49 1.34 2bn7A1 ILE 409 HG13 -0.08 -0.06 -0.30 -0.04 1.21 0.72 2bn7A1 ILE 409 HG23 0.03 -0.03 -0.33 -0.04 0.93 0.55 2bn7A1 ILE 409 HD13 -0.14 0.00 -0.23 -0.04 0.88 0.47 2bn7A1 VAL 410 H 0.01 0.53 0.34 -0.55 8.24 8.57 2bn7A1 VAL 410 HA -0.00 0.29 1.03 -0.75 4.13 4.69 2bn7A1 VAL 410 HB 0.00 0.01 0.01 -0.04 2.12 2.11 2bn7A1 VAL 410 HG13 0.00 -0.02 0.04 -0.04 0.97 0.96 2bn7A1 VAL 410 HG23 -0.00 0.05 -0.13 -0.04 0.95 0.83 2bn7A1 ILE 411 H -0.01 0.73 0.25 -0.55 8.25 8.67 2bn7A1 ILE 411 HA 0.03 0.18 0.65 -0.75 4.18 4.28 2bn7A1 ILE 411 HB 0.01 -0.03 0.18 -0.04 1.89 2.01 2bn7A1 ILE 411 HG12 -0.01 0.08 -0.04 -0.04 1.49 1.49 2bn7A1 ILE 411 HG13 0.04 -0.07 -0.10 -0.04 1.21 1.03 2bn7A1 ILE 411 HG23 0.06 0.00 -0.38 -0.04 0.93 0.57 2bn7A1 ILE 411 HD13 -0.01 -0.01 -0.26 -0.04 0.88 0.56 2bn7A1 THR 412 H 0.04 0.56 0.05 -0.55 8.28 8.38 2bn7A1 THR 412 HA 0.03 0.17 0.81 -0.75 4.39 4.64 2bn7A1 THR 412 HB 0.02 -0.09 0.11 -0.04 4.32 4.32 2bn7A1 THR 412 HG23 0.02 0.06 -0.18 -0.04 1.22 1.07 2bn7A1 GLU 413 H 0.02 0.13 0.13 -0.55 8.60 8.34 2bn7A1 GLU 413 HA 0.03 0.12 0.46 -0.75 4.29 4.15 2bn7A1 GLU 413 HB2 0.02 -0.05 0.11 -0.04 2.09 2.13 2bn7A1 GLU 413 HB3 0.02 0.05 0.04 -0.04 1.99 2.07 2bn7A1 GLU 413 HG2 0.02 -0.05 0.10 -0.04 2.34 2.37 2bn7A1 GLU 413 HG3 0.01 0.01 0.05 -0.04 2.34 2.38 2bn7A1 THR 414 H 0.03 -0.09 -0.22 -0.55 8.28 7.45 2bn7A1 THR 414 HA 0.03 0.28 0.92 -0.75 4.39 4.86 2bn7A1 THR 414 HB 0.02 0.05 0.09 -0.04 4.32 4.43 2bn7A1 THR 414 HG23 0.02 -0.01 -0.10 -0.04 1.22 1.09 2bn7A1 GLY 415 H 0.03 -0.13 -0.22 -0.55 8.43 7.57 2bn7A1 GLY 415 HA2 0.05 0.16 0.45 -0.51 4.01 4.16 2bn7A1 GLY 415 HA3 0.04 0.06 0.53 -0.51 4.01 4.13 2bn7A1 ASN 416 H 0.04 0.32 0.22 -0.55 8.53 8.57 2bn7A1 ASN 416 HA 0.03 0.07 0.63 -0.75 4.76 4.74 2bn7A1 ASN 416 HB2 0.03 -0.04 -0.13 -0.04 2.88 2.69 2bn7A1 ASN 416 HB3 0.06 0.09 -0.26 -0.04 2.79 2.65 2bn7A1 ASN 416 HD21 0.10 0.48 0.10 -0.04 7.03 7.67 2bn7A1 ASN 416 HD22 0.13 0.42 -0.10 -0.04 7.74 8.15 2bn7A1 GLU 417 H 0.02 0.68 0.30 -0.55 8.60 9.05 2bn7A1 GLU 417 HA 0.02 0.15 0.92 -0.75 4.29 4.62 2bn7A1 GLU 417 HB2 0.01 -0.02 0.04 -0.04 2.09 2.08 2bn7A1 GLU 417 HB3 0.01 -0.02 0.13 -0.04 1.99 2.07 2bn7A1 GLU 417 HG2 0.01 0.08 -0.31 -0.04 2.34 2.08 2bn7A1 GLU 417 HG3 0.01 -0.00 0.03 -0.04 2.34 2.34 2bn7A1 ASN 418 H 0.02 0.19 0.10 -0.55 8.53 8.29 2bn7A1 ASN 418 HA 0.02 0.19 0.81 -0.75 4.76 5.03 2bn7A1 ASN 418 HB2 0.02 0.09 0.06 -0.04 2.88 3.01 2bn7A1 ASN 418 HB3 0.02 -0.02 0.16 -0.04 2.79 2.91 2bn7A1 ASN 418 HD21 0.02 0.04 -0.07 -0.04 7.03 6.98 2bn7A1 ASN 418 HD22 0.02 0.05 -0.03 -0.04 7.74 7.74 2bn7A1 LEU 419 H 0.01 0.82 0.43 -0.55 8.37 9.09 2bn7A1 LEU 419 HA 0.01 0.13 0.54 -0.75 4.35 4.27 2bn7A1 LEU 419 HB2 0.02 0.01 0.04 -0.04 1.64 1.67 2bn7A1 LEU 419 HB3 0.01 0.02 0.12 -0.04 1.64 1.75 2bn7A1 LEU 419 HG 0.01 0.07 -0.06 -0.04 1.64 1.62 2bn7A1 LEU 419 HD13 0.02 0.00 -0.26 -0.04 0.93 0.65 2bn7A1 LEU 419 HD23 0.00 -0.02 -0.15 -0.04 0.89 0.68 2bn7A1 THR 420 H 0.01 0.08 -0.07 -0.55 8.28 7.76 2bn7A1 THR 420 HA 0.01 0.28 0.82 -0.75 4.39 4.75 2bn7A1 THR 420 HB 0.01 0.10 0.24 -0.04 4.32 4.62 2bn7A1 THR 420 HG23 0.03 0.04 -0.08 -0.04 1.22 1.17 2bn7A1 ALA 421 H 0.01 0.20 -0.18 -0.55 8.40 7.88 2bn7A1 ALA 421 HA 0.02 0.22 0.46 -0.75 4.34 4.29 2bn7A1 ALA 421 HB3 0.02 0.01 0.04 -0.04 1.41 1.43 2bn7A1 SER 422 H 0.01 0.08 -0.36 -0.55 8.46 7.64 2bn7A1 SER 422 HA 0.01 0.08 0.46 -0.75 4.49 4.30 2bn7A1 SER 422 HB2 0.01 0.01 0.07 -0.04 3.95 4.00 2bn7A1 SER 422 HB3 0.00 -0.01 0.02 -0.04 3.93 3.90 2bn7A1 VAL 423 H 0.02 0.27 -0.37 -0.55 8.24 7.61 2bn7A1 VAL 423 HA 0.03 0.12 0.80 -0.75 4.13 4.32 2bn7A1 VAL 423 HB 0.07 0.07 0.08 -0.04 2.12 2.29 2bn7A1 VAL 423 HG13 0.01 0.00 0.07 -0.04 0.97 1.01 2bn7A1 VAL 423 HG23 0.08 0.01 -0.11 -0.04 0.95 0.89 2bn7A1 VAL 424 H 0.03 0.10 0.03 -0.55 8.24 7.84 2bn7A1 VAL 424 HA 0.04 0.05 0.25 -0.75 4.13 3.72 2bn7A1 VAL 424 HB 0.04 -0.14 -0.04 -0.04 2.12 1.93 2bn7A1 VAL 424 HG13 0.02 0.03 -0.02 -0.04 0.97 0.95 2bn7A1 VAL 424 HG23 0.01 0.04 -0.14 -0.04 0.95 0.81 2bn7A1 LYS 425 H 0.07 -0.12 0.22 -0.55 8.42 8.03 2bn7A1 LYS 425 HA 0.18 0.21 0.61 -0.75 4.32 4.57 2bn7A1 LYS 425 HB2 0.14 -0.03 0.10 -0.04 1.87 2.04 2bn7A1 LYS 425 HB3 0.10 0.18 -0.03 -0.04 1.79 2.00 2bn7A1 LYS 425 HG2 0.05 0.01 0.02 -0.04 1.46 1.50 2bn7A1 LYS 425 HG3 0.06 -0.07 -0.09 -0.04 1.46 1.32 2bn7A1 LYS 425 HD2 0.02 -0.03 -0.05 -0.04 1.69 1.59 2bn7A1 LYS 425 HD3 0.04 0.08 -0.07 -0.04 1.68 1.69 2bn7A1 LYS 425 HE2 0.02 -0.05 -0.04 -0.04 2.99 2.89 2bn7A1 LYS 425 HE3 0.02 -0.00 -0.08 -0.04 2.99 2.88 2bn7A1 LYS 426 H 0.07 -0.03 0.18 -0.55 8.42 8.09 2bn7A1 LYS 426 HA 0.10 0.20 0.64 -0.75 4.32 4.51 2bn7A1 LYS 426 HB2 0.03 -0.06 0.17 -0.04 1.87 1.98 2bn7A1 LYS 426 HB3 0.02 -0.03 0.07 -0.04 1.79 1.81 2bn7A1 LYS 426 HG2 0.03 0.07 0.07 -0.04 1.46 1.59 2bn7A1 LYS 426 HG3 0.04 -0.01 0.09 -0.04 1.46 1.54 2bn7A1 LYS 426 HD2 0.02 0.00 0.05 -0.04 1.69 1.72 2bn7A1 LYS 426 HD3 0.01 -0.02 0.03 -0.04 1.68 1.67 2bn7A1 LYS 426 HE2 0.01 0.03 0.02 -0.04 2.99 3.01 2bn7A1 LYS 426 HE3 0.01 0.02 0.01 -0.04 2.99 2.99 2bn7A1 PRO 427 HA -0.05 0.15 0.26 -0.51 4.44 4.28 2bn7A1 PRO 427 HB2 -0.36 0.03 0.01 -0.04 2.28 1.91 2bn7A1 PRO 427 HB3 -1.10 0.09 0.11 -0.04 2.02 1.07 2bn7A1 PRO 427 HG2 -0.11 -0.02 0.12 -0.04 2.03 1.97 2bn7A1 PRO 427 HG3 -0.18 0.09 0.09 -0.04 2.03 1.99 2bn7A1 PRO 427 HD2 0.01 0.06 0.24 -0.04 3.68 3.95 2bn7A1 PRO 427 HD3 0.12 0.27 0.26 -0.04 3.65 4.27 2bn7A1 GLU 428 H -0.02 0.14 -0.12 -0.55 8.60 8.06 2bn7A1 GLU 428 HA 0.03 0.11 0.49 -0.75 4.29 4.17 2bn7A1 GLU 428 HB2 0.01 0.06 0.07 -0.04 2.09 2.19 2bn7A1 GLU 428 HB3 -0.00 0.02 0.09 -0.04 1.99 2.05 2bn7A1 GLU 428 HG2 0.01 0.03 -0.16 -0.04 2.34 2.18 2bn7A1 GLU 428 HG3 0.00 0.06 -0.04 -0.04 2.34 2.32 2bn7A1 GLU 429 H 0.02 0.16 -0.33 -0.55 8.60 7.91 2bn7A1 GLU 429 HA 0.02 0.10 0.55 -0.75 4.29 4.20 2bn7A1 GLU 429 HB2 0.03 0.06 0.11 -0.04 2.09 2.25 2bn7A1 GLU 429 HB3 0.02 0.04 0.01 -0.04 1.99 2.02 2bn7A1 GLU 429 HG2 0.01 0.06 0.00 -0.04 2.34 2.37 2bn7A1 GLU 429 HG3 0.02 -0.09 -0.01 -0.04 2.34 2.21 2bn7A1 ILE 430 H 0.06 0.46 -0.12 -0.55 8.25 8.10 2bn7A1 ILE 430 HA 0.00 0.07 0.47 -0.75 4.18 3.96 2bn7A1 ILE 430 HB 0.18 0.05 0.10 -0.04 1.89 2.19 2bn7A1 ILE 430 HG12 0.06 0.06 -0.13 -0.04 1.49 1.44 2bn7A1 ILE 430 HG13 0.09 -0.08 -0.31 -0.04 1.21 0.87 2bn7A1 ILE 430 HG23 0.02 0.01 -0.15 -0.04 0.93 0.76 2bn7A1 ILE 430 HD13 0.20 0.01 -0.11 -0.04 0.88 0.94 2bn7A1 GLU 431 H 0.08 0.50 -0.10 -0.55 8.60 8.53 2bn7A1 GLU 431 HA 0.01 0.17 0.45 -0.75 4.29 4.16 2bn7A1 GLU 431 HB2 0.05 -0.00 0.18 -0.04 2.09 2.28 2bn7A1 GLU 431 HB3 0.03 0.00 0.09 -0.04 1.99 2.07 2bn7A1 GLU 431 HG2 0.06 0.20 0.09 -0.04 2.34 2.64 2bn7A1 GLU 431 HG3 0.22 0.13 0.11 -0.04 2.34 2.75 2bn7A1 ALA 432 H 0.02 0.36 -0.23 -0.55 8.40 8.00 2bn7A1 ALA 432 HA 0.00 0.02 0.46 -0.75 4.34 4.06 2bn7A1 ALA 432 HB3 0.00 0.01 0.12 -0.04 1.41 1.51 2bn7A1 LEU 433 H -0.01 0.51 -0.17 -0.55 8.37 8.15 2bn7A1 LEU 433 HA -0.02 -0.01 0.43 -0.75 4.35 3.99 2bn7A1 LEU 433 HB2 -0.02 0.01 0.16 -0.04 1.64 1.74 2bn7A1 LEU 433 HB3 -0.05 0.15 0.16 -0.04 1.64 1.86 2bn7A1 LEU 433 HG -0.05 0.02 -0.15 -0.04 1.64 1.41 2bn7A1 LEU 433 HD13 -0.02 -0.02 0.02 -0.04 0.93 0.87 2bn7A1 LEU 433 HD23 -0.08 -0.00 -0.00 -0.04 0.89 0.77 2bn7A1 MET 434 H -0.04 0.46 -0.18 -0.55 8.47 8.16 2bn7A1 MET 434 HA -0.06 0.11 0.39 -0.75 4.52 4.21 2bn7A1 MET 434 HB2 -0.04 0.04 0.18 -0.04 2.15 2.29 2bn7A1 MET 434 HB3 -0.04 0.02 0.02 -0.04 2.03 2.00 2bn7A1 MET 434 HG2 -0.14 0.18 -0.09 -0.04 2.63 2.53 2bn7A1 MET 434 HG3 -0.11 0.11 0.04 -0.04 2.56 2.56 2bn7A1 MET 434 HE3 0.07 -0.01 -0.04 -0.04 2.10 2.08 2bn7A1 VAL 435 H -0.02 0.60 -0.03 -0.55 8.24 8.24 2bn7A1 VAL 435 HA -0.01 0.01 0.47 -0.75 4.13 3.85 2bn7A1 VAL 435 HB -0.01 0.10 0.22 -0.04 2.12 2.39 2bn7A1 VAL 435 HG13 -0.01 -0.03 -0.13 -0.04 0.97 0.76 2bn7A1 VAL 435 HG23 -0.00 0.02 0.07 -0.04 0.95 0.99 2bn7A1 ALA 436 H -0.01 0.59 -0.15 -0.55 8.40 8.28 2bn7A1 ALA 436 HA -0.01 -0.03 0.42 -0.75 4.34 3.97 2bn7A1 ALA 436 HB3 -0.01 0.01 0.10 -0.04 1.41 1.47 2bn7A1 ALA 437 H -0.02 0.44 -0.24 -0.55 8.40 8.03 2bn7A1 ALA 437 HA -0.02 -0.03 0.53 -0.75 4.34 4.07 2bn7A1 ALA 437 HB3 -0.03 0.06 0.16 -0.04 1.41 1.56 2bn7A1 ARG 438 H -0.02 0.45 -0.10 -0.55 8.46 8.25 2bn7A1 ARG 438 HA -0.02 0.07 0.46 -0.75 4.34 4.10 2bn7A1 ARG 438 HB2 -0.01 0.04 0.16 -0.04 1.90 2.04 2bn7A1 ARG 438 HB3 -0.01 -0.11 0.07 -0.04 1.80 1.70 2bn7A1 ARG 438 HG2 -0.02 -0.07 0.04 -0.04 1.67 1.58 2bn7A1 ARG 438 HG3 -0.02 0.10 0.03 -0.04 1.67 1.74 2bn7A1 ARG 438 HD2 -0.02 0.02 -0.23 -0.04 3.22 2.95 2bn7A1 ARG 438 HD3 -0.02 -0.12 -0.05 -0.04 3.22 3.00 2bn7A1 LYS 439 H -0.01 0.30 -0.40 -0.55 8.42 7.75 2bn7A1 LYS 439 HA -0.01 0.02 0.45 -0.75 4.32 4.03 2bn7A1 GLN 440 H -0.01 0.22 -0.27 -0.55 8.47 7.86